data_r4xmrsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2015-11-04 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      4xmr 
_cell.length_a      42.6198 
_cell.length_b      138.0099 
_cell.length_c      49.0199 
_cell.angle_alpha   90.0000 
_cell.angle_beta    94.3300 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.95370 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.300 
_diffrn_reflns.pdbx_d_res_low    69.005 
_diffrn_reflns.limit_h_max       32 
_diffrn_reflns.limit_h_min       -32 
_diffrn_reflns.limit_k_max       106 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       37 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            137998 
_diffrn_reflns.pdbx_number_obs   128211 
# 
_entry.id   4xmr 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4xmr 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -32 0   1  o 12.877  8.9899  -273.4884  458.446  -273.4884  458.446  -273.4884  458.446  12.877  8.9899  12.877  8.9899  -0.000000      0.000000  
1 1 1 -32 0   2  o 16.344  10.690  117.967    467.413  117.967    467.413  117.967    467.413  16.344  10.690  16.344  10.690  -0.000000      0.000000  
1 1 1 -32 0   3  o 22.434  12.917  551.089    503.685  551.089    503.685  551.089    503.685  22.434  12.917  22.434  12.917  0.000000       0.000000  
1 1 1 -32 0   4  o 17.544  10.993  242.799    432.246  242.799    432.246  242.799    432.246  17.544  10.993  17.544  10.993  0.000000       0.000000  
1 1 1 -32 0   5  o 24.519  12.936  645.516    458.019  645.516    458.019  645.516    458.019  24.519  12.936  24.519  12.936  -0.000000      0.000000  
1 1 1 -32 0   6  o 15.364  10.109  70.944     427.212  70.944     427.212  70.944     427.212  15.364  10.109  15.364  10.109  -0.000000      0.000000  
1 1 1 -32 0   7  o 23.162  12.237  562.454    410.345  562.454    410.345  562.454    410.345  23.162  12.237  23.162  12.237  -0.000000      0.000000  
1 1 1 -32 0   8  o 21.437  12.016  483.472    420.026  483.472    420.026  483.472    420.026  21.437  12.016  21.437  12.016  0.000000       0.000000  
1 1 1 -32 0   9  o 14.921  9.8929  36.583     422.047  36.583     422.047  36.583     422.047  14.921  9.8929  14.921  9.8929  -0.000000      0.000000  
1 1 1 -32 0   10 o 18.563  11.280  321.242    423.072  321.242    423.072  321.242    423.072  18.563  11.280  18.563  11.280  -0.000000      0.000000  
1 1 1 -32 1   1  o 18.554  8.1399  83.672     313.909  36.506     472.038  121.069    420.317  20.519  9.4017  20.687  9.2294  -0.1681271     13.17472  
1 1 1 -32 1   2  o 19.443  8.3073  147.051    309.993  224.327    467.156  86.252     414.369  22.426  9.8818  20.250  9.0897  2.176296       13.42651  
1 1 1 -32 1   3  o 18.979  8.3312  91.696     329.254  25.366     484.770  148.497    448.601  20.647  9.4851  21.407  9.5438  -0.7597904     13.45550  
1 1 1 -32 1   4  o 15.412  7.1735  -131.1445  290.924  -43.6568   397.810  -231.7298  426.550  18.641  8.5743  17.525  8.3190  1.116531       11.94670  
1 1 1 -32 1   5  o 15.098  7.1331  -201.5250  306.536  -255.0227  431.401  -146.9697  435.645  17.429  8.3001  18.367  8.6232  -0.9383869     11.96871  
1 1 1 -32 1   6  o 37.329  7.8915  945.363    309.087  1024.61    461.984  881.146    415.874  35.150  10.954  33.165  10.402  1.985184       15.10641  
1 1 1 -32 1   7  o 32.982  8.2701  760.871    294.893  739.330    414.322  782.987    419.815  30.231  10.427  31.026  10.500  -0.7943745     14.79798  
1 1 1 -32 1   8  o 26.624  8.8370  513.868    297.453  449.777    417.698  579.812    423.691  25.053  10.067  27.190  10.365  -2.137856      14.44920  
1 1 1 -32 1   9  o 39.671  7.5865  1049.70    314.093  1168.25    450.154  937.226    438.467  38.361  10.519  33.819  10.691  4.542301       14.99874  
1 1 1 -32 1   10 o 18.320  8.0144  84.710     302.370  8.5260     435.929  155.347    419.760  19.688  9.0261  21.022  9.3095  -1.333776      12.96680  
1 1 1 -32 2   1  o 22.335  8.6753  319.339    300.728  183.047    472.010  412.465    390.168  21.979  9.7949  24.402  9.7563  -2.423378      13.82478  
1 1 1 -32 2   2  o 17.697  7.7870  56.006     289.142  -242.1173  418.502  328.279    399.947  17.269  8.2100  23.186  9.6429  -5.917336      12.66448  
1 1 1 -32 2   3  o 22.709  9.1232  321.937    342.967  34.666     486.460  605.852    483.610  20.752  9.5218  27.529  10.908  -6.777004      14.47935  
1 1 1 -32 2   4  o 20.047  8.2511  201.726    288.641  195.528    384.701  209.709    436.610  21.200  9.1587  21.973  9.6208  -0.7723827     13.28315  
1 1 1 -32 2   5  o 38.213  7.8375  985.093    313.501  1028.01    443.035  942.056    443.680  35.722  10.649  33.932  10.758  1.790176       15.13702  
1 1 1 -32 2   6  o 36.952  8.1357  938.871    316.800  1050.73    484.628  855.403    418.629  35.163  11.253  32.569  10.463  2.594028       15.36582  
1 1 1 -32 2   7  o 64.854  4.9032  2490.55    341.875  2515.62    449.578  2456.18    526.438  62.949  6.6968  59.931  8.3359  3.017975       10.69273  
1 1 1 -32 2   8  o 24.912  8.6960  439.465    288.595  388.887    416.869  486.017    399.928  24.120  9.9204  25.634  9.9910  -1.513609      14.07956  
1 1 1 -32 2   9  o 24.715  9.0940  434.474    320.122  211.334    489.761  600.913    422.984  22.438  9.9902  27.557  10.392  -5.118273      14.41506  
1 1 1 -32 2   10 o 27.875  9.4465  587.728    339.781  751.761    512.303  458.902    454.007  29.407  11.351  25.211  10.359  4.195490       15.36710  
1 1 1 -32 3   1  o 45.311  6.5322  1300.01    311.311  945.098    447.312  1633.40    433.533  33.822  10.810  48.523  8.5621  -14.70102      13.79010  
1 1 1 -32 3   2  o 29.232  8.5295  609.531    286.786  352.923    391.822  905.625    420.891  23.503  9.6364  33.615  10.452  -10.11223      14.21654  
1 1 1 -32 3   3  o 20.013  8.3582  189.111    302.271  97.857     427.509  280.338    427.444  20.577  9.2348  22.757  9.7400  -2.180223      13.42198  
1 1 1 -32 3   4  o 32.580  8.3379  743.022    295.449  673.112    394.211  832.618    446.272  29.257  10.166  31.734  10.826  -2.477219      14.85091  
1 1 1 -32 3   5  o 39.885  7.7067  1064.12    320.874  1062.10    446.204  1066.27    461.763  36.351  10.648  36.058  10.900  0.2931557      15.23778  
1 1 1 -32 3   6  o 21.882  8.4572  301.508    284.704  440.191    404.327  165.126    400.958  24.902  9.9401  20.963  9.1980  3.939220       13.54291  
1 1 1 -32 3   7  o 38.062  7.2532  952.684    288.095  1357.83    407.978  549.719    406.879  43.726  8.9166  26.729  10.165  16.99734       13.52162  
1 1 1 -32 3   8  o 15.401  7.3160  -233.1733  331.074  -451.5490  460.823  -0.2130    475.962  16.626  8.0810  20.225  9.3304  -3.598749      12.34339  
1 1 1 -32 3   9  o 28.749  9.0103  608.562    312.079  798.586    432.155  401.466    451.151  31.147  10.653  24.447  10.211  6.700470       14.75609  
1 1 1 -32 3   10 o 32.497  8.9084  769.818    322.901  682.331    447.760  864.618    466.095  28.765  10.723  31.836  11.055  -3.070204      15.40074  
1 1 1 -32 4   1  o 44.635  7.3428  1307.84    342.636  1384.81    486.889  1232.33    482.266  41.755  10.713  38.789  10.982  2.965580       15.34216  
1 1 1 -32 4   2  o 41.556  6.8653  1110.26    298.214  965.288    403.643  1284.49    442.509  35.287  10.067  41.149  10.022  -5.862019      14.20487  
1 1 1 -32 4   3  o 32.089  8.7556  739.615    312.774  637.206    438.291  845.887    446.481  28.210  10.590  31.973  10.829  -3.763006      15.14645  
1 1 1 -32 4   4  o 31.724  8.3982  708.444    293.095  718.847    386.794  694.415    449.160  30.284  10.078  29.141  10.764  1.143639       14.74549  
1 1 1 -32 4   5  o 35.919  8.2416  892.719    313.826  1080.34    436.149  691.298    451.904  36.984  10.434  29.040  10.783  7.944019       15.00470  
1 1 1 -32 4   6  o 44.755  6.6218  1273.09    311.299  1410.61    446.670  1143.21    434.087  43.622  9.7044  38.325  10.256  5.296535       14.11926  
1 1 1 -32 4   7  o 45.435  6.4148  1301.05    306.898  1214.23    424.770  1395.86    443.902  40.107  9.8499  43.371  9.6935  -3.263687      13.81973  
1 1 1 -32 4   8  o 16.179  7.4004  -60.3185   290.709  -242.4576  405.609  132.075    416.871  16.981  8.0757  20.756  9.2305  -3.775475      12.26454  
1 1 1 -32 4   9  o 19.957  8.3583  187.910    303.486  -14.8651   417.607  414.861    441.801  19.203  8.8150  24.596  10.174  -5.393436      13.46170  
1 1 1 -32 4   10 o 17.503  7.8343  20.450     305.488  233.314    418.028  -223.5196  447.530  21.949  9.5145  17.897  8.5030  4.051737       12.76038  
1 1 1 -32 5   1  o 18.461  8.1626  67.459     321.471  133.103    454.850  1.9436     454.407  21.237  9.5287  19.932  9.1665  1.305380       13.22203  
1 1 1 -32 5   2  o 45.393  6.6612  1310.52    317.760  1090.60    446.675  1535.85    452.134  36.898  10.610  46.042  9.3849  -9.144547      14.16509  
1 1 1 -32 5   3  o 43.044  7.1365  1203.53    321.055  947.177    448.350  1473.33    459.954  33.936  10.820  44.559  9.7972  -10.62291      14.59655  
1 1 1 -32 5   4  o 31.246  8.4127  688.812    291.038  378.592    380.527  1126.04    451.758  23.868  9.6023  37.558  10.628  -13.68992      14.32310  
1 1 1 -32 5   5  o 19.119  8.1988  132.840    303.946  -22.7717   410.503  321.675    452.205  19.045  8.7414  23.459  10.029  -4.414396      13.30355  
1 1 1 -32 5   6  o 21.568  8.4499  285.600    287.208  385.882    407.690  186.796    404.675  24.049  9.8414  21.267  9.2883  2.782246       13.53238  
1 1 1 -32 5   7  o 41.302  7.0292  1106.69    303.181  1104.68    416.893  1108.95    441.707  37.946  10.002  37.349  10.488  0.5973892      14.49264  
1 1 1 -32 5   8  o 31.288  8.7149  705.137    306.285  770.692    425.083  634.357    441.698  30.721  10.564  28.055  10.610  2.666157       14.97176  
1 1 1 -32 5   9  o 24.582  8.9518  427.426    309.036  233.471    424.660  645.779    450.577  22.054  9.5750  28.180  10.702  -6.125818      14.35994  
1 1 1 -32 5   10 f 16.799  7.3103  58.185     248.674  104.104    299.583  -43.5508   445.925  18.554  8.0488  19.357  8.9654  -0.8033314     12.04831  
1 1 1 -32 6   1  o 43.319  7.1852  1224.90    325.307  1038.56    434.507  1462.56    490.710  36.012  10.496  43.169  10.578  -7.157024      14.90168  
1 1 1 -32 6   2  o 26.347  8.8673  501.694    299.371  554.215    417.995  446.379    428.967  26.812  10.278  25.062  10.156  1.749531       14.44866  
1 1 1 -32 6   3  o 25.533  8.9422  467.466    305.282  695.078    424.112  222.724    439.783  29.347  10.514  22.134  9.6745  7.213364       14.28776  
1 1 1 -32 6   4  o 16.567  7.4326  -5.1548    276.684  -134.2055  358.189  185.769    435.673  16.961  7.9160  21.654  9.5422  -4.693714      12.39827  
1 1 1 -32 6   5  o 26.251  9.2634  505.664    328.035  664.550    417.650  249.809    529.987  28.811  10.420  23.241  10.367  5.569351       14.69822  
1 1 1 -32 6   6  o 43.454  6.8060  1210.96    309.812  1490.39    441.987  941.052    434.393  45.399  9.3013  34.003  10.626  11.39567       14.12189  
1 1 1 -32 6   7  o 45.709  6.8609  1341.71    329.175  1584.76    479.988  1125.90    452.293  46.019  9.9220  37.421  10.650  8.597683       14.55544  
1 1 1 -32 6   8  o 24.843  8.7759  436.925    294.487  504.794    420.199  371.414    412.833  25.956  10.205  23.856  9.8489  2.099363       14.18234  
1 1 1 -32 6   9  o 31.704  8.6802  722.302    306.794  390.222    429.064  1069.70    438.846  24.193  10.018  36.583  10.516  -12.39027      14.52415  
1 1 1 -32 6   10 o 22.258  8.5562  320.555    290.209  362.350    353.909  234.765    507.050  23.366  9.3084  22.800  10.157  0.5656471      13.77730  
1 1 1 -32 7   1  o 22.132  8.7408  307.417    309.584  521.521    453.192  120.086    423.910  26.156  10.494  20.690  9.2469  5.466040       13.98707  
1 1 1 -32 7   2  o 20.458  8.3397  224.862    291.350  226.848    401.945  222.663    422.917  21.756  9.3804  21.923  9.5367  -0.1668262     13.37683  
1 1 1 -32 7   3  o 19.114  8.2882  117.475    317.398  -146.0098  466.723  344.173    432.919  18.887  8.8858  23.620  9.9422  -4.733170      13.33435  
1 1 1 -32 7   4  o 30.293  8.4972  652.565    290.108  625.252    375.271  693.132    457.345  28.430  9.9167  29.014  10.833  -0.5849571     14.68625  
1 1 1 -32 7   5  o 16.328  7.5487  -97.3110   313.993  -79.6475   392.561  -128.6816  523.157  18.158  8.4106  19.874  9.3676  -1.716393      12.58930  
1 1 1 -32 7   6  o 17.848  7.8013  72.367     285.964  414.825    394.774  -305.7084  414.796  24.450  9.8002  16.690  7.9996  7.760399       12.65056  
1 1 1 -32 7   7  o 17.242  7.7534  2.4981     303.028  -229.3820  443.898  204.863    414.686  17.817  8.4659  21.598  9.4186  -3.781734      12.66419  
1 1 1 -32 7   8  o 21.482  8.5646  275.328    299.836  150.367    421.066  403.872    427.061  21.037  9.3198  24.410  10.040  -3.372559      13.69918  
1 1 1 -32 7   9  o 26.691  8.2725  502.401    263.886  457.340    323.095  592.687    457.339  25.191  9.1563  27.278  10.670  -2.087305      14.05982  
1 1 1 -32 7   10 o 14.296  6.6503  -124.3965  249.469  -268.7944  288.656  301.755    495.887  13.961  6.6868  23.436  10.258  -9.474868      12.24460  
1 1 1 -32 8   1  o 27.075  9.0802  540.813    313.910  873.187    455.659  240.570    433.074  32.173  10.939  22.191  9.6519  9.982367       14.58852  
1 1 1 -32 8   2  o 17.839  7.7161  87.948     273.725  73.053     359.554  108.480    422.149  19.208  8.5554  20.565  9.2066  -1.356243      12.56804  
1 1 1 -32 8   3  o 25.006  9.1619  447.128    324.422  436.329    469.396  457.004    448.893  25.035  10.432  25.267  10.332  -0.2323074     14.68244  
1 1 1 -32 8   4  o 23.655  8.8408  382.421    304.781  565.427    410.281  157.080    455.271  27.038  10.225  21.536  9.6069  5.502110       14.03037  
1 1 1 -32 8   5  o 21.107  8.5345  253.897    302.250  254.846    399.438  252.626    462.312  22.105  9.4369  22.665  9.9126  -0.5606804     13.68631  
1 1 1 -32 8   6  o 40.092  7.9817  1092.06    334.410  1055.15    428.688  1149.44    534.471  36.557  10.356  35.886  11.843  0.6704865      15.73165  
1 1 1 -32 8   7  o 42.409  7.8558  1211.19    347.556  1282.21    470.877  1126.19    515.137  40.160  10.651  35.887  11.615  4.273357       15.75893  
1 1 1 -32 8   8  o 20.132  8.3550  200.509    299.350  432.248    419.037  -41.0099   427.788  24.809  10.043  19.137  8.8343  5.672792       13.37550  
1 1 1 -32 8   9  o 37.584  6.8966  914.386    270.399  1026.09    313.439  589.372    534.656  39.125  7.6707  27.084  11.197  12.04153       13.57239  
1 1 1 -32 8   10 o 19.441  7.8386  198.480    254.183  93.742     293.145  515.811    510.255  18.283  7.9466  26.086  10.874  -7.803001      13.46813  
1 1 1 -32 9   1  o 24.115  8.5659  406.085    280.937  626.344    371.358  111.344    429.582  28.372  9.8667  20.645  9.2618  7.726576       13.53267  
1 1 1 -32 9   2  o 20.116  8.4692  188.459    314.251  615.550    444.229  -239.3598  444.608  27.701  10.601  17.747  8.4444  9.954439       13.55291  
1 1 1 -32 9   3  o 16.024  7.3794  -84.9418   295.893  6.6034     399.555  -196.1207  440.322  19.136  8.7231  18.017  8.5231  1.119747       12.19573  
1 1 1 -32 9   4  o 18.890  8.1526  118.616    304.215  34.120     403.898  229.398    462.476  19.497  8.8421  22.400  9.8525  -2.903326      13.23839  
1 1 1 -32 9   5  o 29.839  9.2900  666.136    332.372  834.265    465.301  490.972    474.936  31.377  11.037  25.772  10.593  5.605587       15.29784  
1 1 1 -32 9   6  o 45.467  6.6676  1316.37    318.595  1423.33    418.770  1169.40    490.900  44.774  8.9482  37.306  11.230  7.468788       14.35872  
1 1 1 -32 9   7  o 27.644  9.1464  564.987    318.739  542.577    455.094  586.565    446.558  26.531  10.560  27.247  10.575  -0.7155037     14.94434  
1 1 1 -32 9   8  o 19.129  7.5490  197.822    230.749  415.067    278.355  -279.4448  412.577  24.389  8.5389  16.846  8.0484  7.542980       11.73408  
1 1 1 -32 9   9  o 24.740  8.5010  430.141    275.272  492.472    325.359  273.142    516.366  25.931  9.2175  23.314  10.325  2.617268       13.84083  
1 1 1 -32 9   10 o 18.187  7.7505  116.808    268.568  61.435     316.163  260.322    508.988  18.264  8.0844  23.094  10.238  -4.829311      13.04509  
1 1 1 -32 10  1  o 25.076  8.8097  450.022    296.418  465.409    405.624  432.388    434.233  25.226  9.9917  24.764  10.148  0.4614429      14.24138  
1 1 1 -32 10  2  o 31.047  8.9682  706.859    318.481  495.263    455.003  910.104    445.934  25.767  10.453  33.093  10.812  -7.325771      15.03894  
1 1 1 -32 10  3  o 15.232  7.1016  -135.4857  287.060  -159.5830  368.213  -98.1452   458.360  16.908  7.9348  19.111  8.9315  -2.203066      11.94712  
1 1 1 -32 10  4  o 20.894  8.5995  235.467    313.517  333.324    435.431  130.124    451.780  23.447  9.9255  21.178  9.4997  2.269100       13.73903  
1 1 1 -32 10  5  o 23.486  9.0716  372.176    327.417  687.489    454.609  32.342     471.954  28.884  10.797  20.475  9.3888  8.408640       14.30813  
1 1 1 -32 10  6  o 38.569  7.5652  991.952    304.745  1060.77    395.519  891.411    478.069  37.590  9.6617  32.245  11.196  5.345398       14.78845  
1 1 1 -32 10  7  f 19.933  8.4673  171.644    318.664  159.337    467.419  182.332    435.582  21.691  9.7009  21.584  9.5247  0.1066380      13.59517  
1 1 1 -32 10  8  o 37.423  6.6444  895.656    259.452  865.619    300.562  983.481    513.943  35.558  7.9980  33.340  11.607  2.217865       14.09542  
1 1 1 -32 10  9  o 26.210  8.2373  483.164    260.624  466.185    301.506  533.346    518.349  25.464  8.8885  26.356  10.971  -0.8922367     14.11966  
1 1 1 -32 10  10 o 17.957  7.5748  121.231    252.171  74.723     290.269  264.343    509.182  17.956  7.8537  23.154  10.254  -5.198034      12.91578  
1 1 1 -32 11  1  o 52.608  5.7340  1695.56    321.427  1510.82    440.159  1906.64    470.489  45.767  9.1985  52.350  8.5963  -6.582550      12.59004  
1 1 1 -32 11  2  o 22.519  8.6823  330.553    299.485  364.806    395.361  284.438    458.743  23.624  9.6823  22.962  9.9605  0.6617775      13.89089  
1 1 1 -32 11  3  o 23.627  8.8348  382.740    304.448  539.310    410.682  191.717    453.622  26.525  10.183  21.858  9.6791  4.666101       14.04879  
1 1 1 -32 11  4  o 20.429  8.3434  223.137    292.295  265.116    372.191  155.582    472.151  21.976  9.2326  21.683  9.7199  0.2927589      13.40593  
1 1 1 -32 11  5  o 25.055  9.2215  450.810    329.182  506.158    451.372  387.926    481.118  25.974  10.455  24.428  10.391  1.546049       14.74042  
1 1 1 -32 11  6  o 29.125  9.0583  625.479    316.093  433.741    425.406  861.830    472.311  24.845  10.097  31.799  11.123  -6.954376      15.02257  
1 1 1 -32 11  7  o 26.327  7.9550  479.769    246.005  519.241    295.294  390.235    444.740  26.811  8.8004  24.311  10.144  2.499928       13.42971  
1 1 1 -32 11  8  o 17.160  7.5272  50.907     268.339  41.396     323.827  71.749     479.373  18.178  8.1061  20.953  9.5524  -2.774639      12.52826  
1 1 1 -32 11  9  o 18.347  7.7759  126.624    267.751  281.114    313.848  -286.4851  513.218  21.689  8.7224  18.587  8.9062  3.101810       12.46594  
1 1 1 -32 12  1  o 18.848  8.1910  110.366    311.393  36.001     430.976  191.592    450.420  19.877  9.0603  21.779  9.6442  -1.901424      13.23256  
1 1 1 -32 12  2  o 16.246  7.4253  -56.0852   291.942  -116.1029  396.167  15.240     431.876  17.849  8.3288  19.704  9.0151  -1.854521      12.27363  
1 1 1 -32 12  3  o 20.417  8.5597  203.475    318.824  215.184    406.788  184.829    513.352  21.633  9.3817  22.394  10.079  -0.7606506     13.76963  
1 1 1 -32 12  4  o 25.689  8.7675  473.016    292.710  517.390    377.388  406.012    463.737  26.243  9.8318  24.575  10.314  1.667944       14.24939  
1 1 1 -32 12  5  o 17.602  7.8690  23.011     307.194  -77.5061   406.298  157.160    469.373  18.419  8.5405  21.678  9.7064  -3.258816      12.92877  
1 1 1 -32 12  6  o 17.330  7.8336  -10.4257   313.989  -234.3342  433.732  236.128    455.137  17.606  8.3666  22.417  9.8190  -4.811447      12.90015  
1 1 1 -32 12  7  o 16.967  7.4479  45.401     263.136  44.989     315.267  46.346     477.745  18.066  8.0310  20.707  9.4769  -2.640402      12.42214  
1 1 1 -32 12  8  f 22.459  8.3203  332.231    268.782  464.361    321.430  25.037     490.107  25.366  9.1460  20.659  9.5078  4.707415       13.19274  
1 1 1 -32 12  9  o 23.715  7.9607  383.925    241.279  398.506    275.565  336.024    499.466  23.981  8.4873  23.884  10.377  0.9655952E-01  13.40570  
1 1 1 -32 13  1  o 35.700  8.3571  892.451    317.439  979.589    442.597  800.143    455.534  34.523  10.716  30.784  10.910  3.739902       15.29266  
1 1 1 -32 13  2  o 18.396  7.9772  99.627     294.068  290.703    395.875  -135.6131  439.248  22.533  9.4970  18.461  8.6645  4.071266       12.85566  
1 1 1 -32 13  3  o 20.248  8.4610  200.086    309.999  163.527    387.934  264.676    515.638  20.752  9.0779  23.224  10.300  -2.472746      13.72943  
1 1 1 -32 13  4  o 36.812  9.2655  994.933    369.159  1216.97    569.726  834.242    484.668  36.311  12.233  31.122  11.229  5.188976       16.60524  
1 1 1 -32 13  5  o 23.672  8.6694  384.381    290.437  146.966    364.683  796.119    480.254  20.241  8.8295  30.538  11.154  -10.29637      14.22539  
1 1 1 -32 13  6  o 24.458  7.9488  410.328    241.131  353.685    281.155  567.880    468.905  22.991  8.5112  26.930  10.719  -3.939337      13.68698  
1 1 1 -32 13  7  o 16.613  7.1969  58.729     238.871  210.106    275.714  -396.8709  478.322  19.998  8.1280  17.313  8.3714  2.685015       11.66816  
1 1 1 -32 13  8  o 18.637  7.5814  167.728    240.145  126.359    276.666  294.129    483.606  18.520  7.8788  23.319  10.170  -4.799408      12.86491  
1 1 1 -32 13  9  o 31.053  7.8367  661.399    263.585  569.862    307.522  914.849    511.709  27.869  8.9690  32.135  11.545  -4.265158      14.61953  
1 1 1 -32 14  1  f 24.191  8.7221  409.947    292.324  207.370    385.961  682.505    447.691  21.271  9.1814  28.778  10.723  -7.507082      14.11660  
1 1 1 -32 14  2  o 24.091  8.8973  405.151    306.880  374.694    407.728  444.952    466.093  23.845  9.8096  25.079  10.418  -1.233706      14.30972  
1 1 1 -32 14  3  o 32.643  9.3006  793.897    344.760  919.570    452.038  619.147    533.043  33.202  10.888  27.489  11.252  5.713442       15.65708  
1 1 1 -32 14  4  o 22.807  8.9399  337.613    321.608  134.361    402.644  695.805    534.518  20.606  9.1220  28.559  11.419  -7.953169      14.61520  
1 1 1 -32 14  5  o 24.187  9.0110  407.333    316.132  529.109    385.960  159.088    551.063  26.466  9.9375  22.564  10.270  3.901585       14.29053  
1 1 1 -32 14  6  o 17.589  7.5716  87.487     261.031  12.984     295.506  352.071    556.880  17.237  7.7110  24.478  10.787  -7.240751      13.25989  
1 1 1 -32 14  7  o 17.677  7.5098  105.556    250.727  17.203     294.715  337.050    477.047  17.271  7.7152  23.805  10.242  -6.533791      12.82249  
1 1 1 -32 14  8  o 22.476  8.2188  334.174    260.887  521.604    308.194  -139.6823  490.035  26.727  8.9970  19.286  9.0830  7.441174       12.78463  
1 1 1 -32 14  9  o 25.188  8.5529  448.674    278.540  201.909    335.257  998.620    500.491  20.612  8.7165  33.815  11.465  -13.20262      14.40213  
1 1 1 -32 15  1  o 19.327  8.1076  166.118    286.323  280.892    363.378  -21.8333   465.006  22.109  9.1929  19.855  9.1816  2.254290       12.99274  
1 1 1 -32 15  2  o 18.124  8.0109  59.607     309.383  -273.7891  434.894  401.224    440.223  17.311  8.2686  24.395  10.129  -7.084091      13.07526  
1 1 1 -32 15  3  o 33.040  8.6637  780.503    313.849  572.254    413.626  1063.10    481.841  27.117  10.264  35.432  11.208  -8.315025      15.19812  
1 1 1 -32 15  4  o 40.485  7.1416  1068.42    301.711  1178.39    382.306  886.822    491.262  40.660  8.9258  31.999  11.331  8.660572       14.42468  
1 1 1 -32 15  5  o 19.344  7.6477  202.897    237.226  244.005    272.658  74.845     481.225  20.628  8.1851  21.031  9.5816  -0.4037571     12.60170  
1 1 1 -32 15  6  o 16.248  7.1773  21.789     247.971  -22.6642   281.634  175.105    523.033  16.450  7.4287  22.455  10.134  -6.005901      12.56506  
1 1 1 -32 15  7  o 32.737  7.5783  721.303    263.402  641.045    308.632  936.526    505.405  29.648  8.8994  32.676  11.502  -3.028769      14.54270  
1 1 1 -32 15  8  o 16.696  7.2547  56.740     244.190  12.028     284.361  182.308    476.540  16.960  7.5772  22.021  9.8258  -5.061197      12.40802  
1 1 1 -32 16  1  o 18.987  8.1573  129.108    301.881  322.387    397.490  -134.3136  464.043  23.011  9.5953  18.893  8.8796  4.117779       13.07352  
1 1 1 -32 16  2  o 27.292  8.9218  543.621    303.613  308.946    406.249  840.537    456.957  22.907  9.6359  31.612  10.948  -8.705587      14.58429  
1 1 1 -32 16  3  o 16.656  7.4822  -5.5823    281.327  -179.6794  347.868  323.522    478.284  16.289  7.6658  23.639  10.212  -7.350653      12.76933  
1 1 1 -32 16  4  f 15.758  7.2416  -80.8642   282.900  -167.7931  356.002  68.097     466.022  16.591  7.7910  20.767  9.4486  -4.176039      12.24644  
1 1 1 -32 16  5  f 18.525  7.4356  171.489    227.603  298.415    252.846  -370.6662  522.567  21.634  8.0589  18.247  8.8054  3.386662       11.93659  
1 1 1 -32 16  6  o 20.068  7.5399  242.137    222.256  285.967    244.426  32.877     534.076  21.293  7.9252  21.306  9.8482  -0.1361656E-01 12.64104  
1 1 1 -32 16  7  f 16.677  7.1970  65.208     237.057  -0.2069    272.568  268.336    480.311  16.525  7.3981  23.017  10.084  -6.492167      12.50692  
1 1 1 -32 16  8  o 20.698  7.9584  258.510    251.110  328.394    292.036  60.270     491.863  22.476  8.5965  21.001  9.6132  1.475128       12.89626  
1 1 1 -32 17  1  o 17.913  7.7953  81.871     282.790  200.691    356.156  -120.8294  465.182  20.841  8.9046  19.021  8.9240  1.820065       12.60670  
1 1 1 -32 17  2  o 14.984  7.0497  -176.6258  293.789  -250.5074  389.461  -79.0714   447.526  16.587  7.8954  19.108  8.8949  -2.521702      11.89355  
1 1 1 -32 17  3  o 21.181  8.6480  250.703    313.900  262.845    410.689  233.644    486.793  22.333  9.5525  22.690  10.038  -0.3567352     13.85673  
1 1 1 -32 17  4  o 17.025  7.2241  91.900     231.543  38.525     270.320  238.938    448.668  17.029  7.5096  22.404  9.7827  -5.374828      12.33268  
1 1 1 -32 17  5  o 25.161  8.0941  438.636    250.472  488.118    283.658  263.503    533.649  26.162  8.6271  23.419  10.427  2.743557       13.53350  
1 1 1 -32 17  6  o 15.782  6.8845  35.000     221.724  20.237     244.257  104.123    528.527  16.129  7.1242  21.851  9.9885  -5.722023      12.26889  
1 1 1 -32 17  7  o 14.235  6.6500  -142.2176  253.671  -65.4786   300.598  -332.0687  472.808  16.369  7.5012  17.627  8.4728  -1.257378      11.31622  
1 1 1 -32 17  8  o 15.813  7.1552  -34.5742   262.745  135.271    313.192  -438.1333  482.768  19.296  8.2999  17.135  8.3151  2.160486       11.74861  
1 1 1 -32 18  1  o 21.440  8.9455  248.341    345.789  122.220    505.251  359.463    474.259  21.700  9.8597  24.003  10.266  -2.302610      14.23380  
1 1 1 -32 18  2  o 16.210  7.4491  -75.8730   299.318  -301.0255  400.618  208.620    450.327  16.433  7.8725  22.032  9.7054  -5.599113      12.49681  
1 1 1 -32 18  3  o 15.262  7.0237  -87.8318   267.423  -102.1887  326.204  -58.4074   466.996  16.561  7.6694  19.609  9.1140  -3.048021      11.91150  
1 1 1 -32 18  4  o 21.110  7.8785  279.005    241.872  270.542    273.379  309.502    518.961  21.170  8.2579  23.784  10.450  -2.613758      13.31862  
1 1 1 -32 18  5  o 26.851  7.8894  497.460    244.603  358.935    274.354  1034.27    540.081  23.102  8.4313  33.835  11.891  -10.73288      14.57704  
1 1 1 -32 18  6  o 27.488  7.9554  523.342    250.396  542.803    282.056  450.961    543.965  27.558  8.5544  25.482  10.949  2.076221       13.89450  
1 1 1 -32 18  7  o 49.498  5.3621  1477.93    282.875  1397.80    330.082  1699.52    548.902  46.860  6.6938  45.948  11.144  0.9114876      12.99982  
1 1 1 -32 19  1  o 24.661  10.024  425.800    419.429  440.843    621.426  413.214    568.434  25.560  11.323  25.076  10.979  0.4838047      15.77150  
1 1 1 -32 19  2  o 32.469  9.5106  796.200    355.946  1073.00    538.292  581.128    474.490  34.453  11.885  27.076  10.781  7.377195       16.04597  
1 1 1 -32 19  3  o 24.597  7.8354  413.991    235.156  523.864    269.396  62.306     481.973  27.220  8.3455  20.904  9.5488  6.316145       12.68177  
1 1 1 -32 19  4  o 36.106  7.0178  848.713    264.556  985.088    302.765  408.381    544.036  38.486  7.5330  25.005  10.847  13.48055       13.20608  
1 1 1 -32 19  5  o 31.666  7.6614  679.072    259.913  847.162    296.509  121.432    540.064  35.217  7.9605  22.128  10.108  13.08955       12.86625  
1 1 1 -32 19  6  o 26.800  8.1807  502.916    259.195  549.225    294.662  344.537    544.932  27.563  8.7700  24.322  10.696  3.241230       13.83195  
1 1 1 -32 19  7  o 25.589  8.2097  457.158    257.809  512.024    300.931  305.805    499.819  26.591  8.8907  23.607  10.316  2.983742       13.61861  
1 1 1 -32 20  1  o 19.371  8.6693  68.528     373.974  373.855    503.138  -308.3956  559.025  24.325  10.491  19.138  9.2026  5.187067       13.95552  
1 1 1 -32 20  2  o 23.997  9.6330  389.960    382.048  794.820    520.272  -83.8411   562.829  30.095  11.483  20.709  9.7474  9.386581       15.06210  
1 1 1 -32 20  3  o 49.763  8.9901  1752.39    466.718  2071.49    695.865  1491.47    629.232  47.341  13.118  39.596  12.839  7.745056       18.35530  
1 1 1 -32 20  4  o 34.388  7.0417  772.720    253.447  662.042    286.424  1172.04    544.054  30.608  8.3899  36.146  11.949  -5.538233      14.60048  
1 1 1 -32 20  5  o 15.220  6.8568  -30.1985   238.266  -136.5817  268.318  366.514    518.145  14.725  6.8656  24.409  10.587  -9.683819      12.61827  
1 1 1 -32 20  6  o 18.676  7.7024  158.586    252.165  -37.9552   284.589  876.676    543.978  16.325  7.4107  31.219  11.782  -14.89382      13.91874  
1 1 1 -32 21  1  o 48.912  8.1000  1624.48    414.092  1661.83    572.162  1583.39    600.064  44.291  11.738  41.927  12.368  2.364399       17.05128  
1 1 1 -32 21  2  o 25.178  10.133  456.440    423.883  383.791    636.232  514.425    568.406  25.136  11.274  26.219  11.227  -1.082495      15.91092  
1 1 1 -32 21  3  o 20.028  8.8886  106.716    384.687  -232.4980  523.339  505.431    567.385  19.136  9.1208  26.145  11.207  -7.009562      14.44911  
1 1 1 -32 21  4  o 34.081  10.135  909.005    401.642  1148.44    561.605  658.327    574.635  35.374  12.143  27.983  11.591  7.391973       16.78741  
1 1 1 -32 21  5  o 16.436  7.0746  63.706     227.853  43.781     252.801  149.970    526.018  16.707  7.3179  22.249  10.090  -5.541746      12.46459  
1 1 1 -32 21  6  o 27.262  8.2305  521.173    263.426  478.666    300.497  662.271    547.481  25.832  8.8816  28.149  11.449  -2.317545      14.48989  
1 1 1 -32 22  1  o 17.891  8.2115  -46.3946   362.168  -281.4904  498.024  217.475    527.622  18.378  8.7973  22.848  10.256  -4.469604      13.51224  
1 1 1 -32 22  2  o 16.757  7.8839  -175.0029  367.447  -419.3985  501.434  108.436    540.004  17.570  8.5142  21.981  10.066  -4.410753      13.18380  
1 1 1 -32 22  3  o 25.743  10.222  490.148    425.555  375.665    536.157  685.064    699.590  24.594  10.718  28.104  12.245  -3.510403      16.27304  
1 1 1 -32 22  4  o 20.788  9.2302  133.448    415.248  -358.5585  643.791  483.963    543.391  20.070  9.7064  25.875  11.026  -5.805292      14.68948  
1 1 1 -32 22  5  o 18.332  8.5103  -88.7734   405.204  -352.8298  647.257  81.414     519.628  20.170  9.7493  21.580  9.8792  -1.410475      13.87977  
1 1 1 -32 23  3  o 15.705  7.5356  -312.3833  370.277  -356.0293  502.127  -260.3597  548.203  18.006  8.6744  19.351  9.2542  -1.344837      12.68410  
1 1 1 -31 0   1  o 20.052  11.595  383.357    408.577  383.357    408.577  383.357    408.577  20.052  11.595  20.052  11.595  0.000000       0.000000  
1 1 1 -31 0   2  o 36.232  12.136  1040.01    424.957  1040.01    424.957  1040.01    424.957  36.232  12.136  36.232  12.136  -0.000000      0.000000  
1 1 1 -31 0   3  o 18.962  11.014  329.208    371.228  329.208    371.228  329.208    371.228  18.962  11.014  18.962  11.014  -0.000000      0.000000  
1 1 1 -31 0   4  o 13.991  9.3422  -32.1439   387.866  -32.1439   387.866  -32.1439   387.866  13.991  9.3422  13.991  9.3422  -0.000000      0.000000  
1 1 1 -31 0   5  o 55.269  8.2400  1908.23    460.979  1908.23    460.979  1908.23    460.979  55.269  8.2400  55.269  8.2400  -0.000000      0.000000  
1 1 1 -31 0   6  o 95.623  5.7703  5251.80    592.642  5251.80    592.642  5251.80    592.642  95.623  5.7703  95.623  5.7703  0.000000       0.000000  
1 1 1 -31 0   7  o 65.288  6.7676  2537.25    466.786  2537.25    466.786  2537.25    466.786  65.288  6.7676  65.288  6.7676  -0.000000      0.000000  
1 1 1 -31 0   8  o 15.599  10.099  98.670     402.490  98.670     402.490  98.670     402.490  15.599  10.099  15.599  10.099  -0.000000      0.000000  
1 1 1 -31 0   9  o 19.335  11.459  350.036    415.756  350.036    415.756  350.036    415.756  19.335  11.459  19.335  11.459  -0.000000      0.000000  
1 1 1 -31 0   10 o 24.045  12.195  580.246    396.396  580.246    396.396  580.246    396.396  24.045  12.195  24.045  12.195  -0.000000      0.000000  
1 1 1 -31 0   11 o 14.486  9.5643  30.197     387.808  30.197     387.808  30.197     387.808  14.486  9.5643  14.486  9.5643  -0.000000      0.000000  
1 1 1 -31 0   12 o 30.350  12.756  851.261    421.895  851.261    421.895  851.261    421.895  30.350  12.756  30.350  12.756  -0.000000      0.000000  
1 1 1 -31 0   13 f 15.871  9.8676  184.761    341.584  184.761    341.584  184.761    341.584  15.871  9.8676  15.871  9.8676  0.000000       0.000000  
1 1 1 -31 0   14 o 12.689  8.5557  -58.4625   340.037  -58.4625   340.037  -58.4625   340.037  12.689  8.5557  12.689  8.5557  0.000000       0.000000  
1 1 1 -31 1   1  o 45.992  6.2850  1297.14    304.890  1059.94    429.530  1538.01    432.848  37.847  10.233  47.790  8.6822  -9.942520      13.41989  
1 1 1 -31 1   2  o 21.107  8.3792  236.889    285.858  358.418    401.768  112.292    406.808  24.393  9.8479  21.019  9.2429  3.373425       13.50601  
1 1 1 -31 1   3  o 22.040  8.3361  288.722    272.691  570.284    368.954  -50.2472   404.823  28.224  9.8336  19.181  8.7578  9.042625       13.16807  
1 1 1 -31 1   4  o 30.817  8.4368  646.278    289.840  435.257    410.088  856.906    409.705  25.708  10.090  33.911  10.270  -8.203308      14.39729  
1 1 1 -31 1   5  o 22.435  8.4410  305.032    278.748  498.650    383.462  88.079     405.913  26.752  9.9326  20.716  9.1655  6.035925       13.51532  
1 1 1 -31 1   6  f 25.329  8.9594  432.072    307.029  686.112    478.067  253.735    400.553  29.840  11.088  22.768  9.5723  7.071896       14.64841  
1 1 1 -31 1   7  o 23.931  8.3900  375.244    268.780  276.175    368.715  487.584    392.635  22.700  9.3324  26.441  10.002  -3.740873      13.67985  
1 1 1 -31 1   8  o 30.942  8.5804  664.025    297.597  900.995    418.996  422.778    422.761  34.358  10.382  25.303  10.142  9.054899       14.51338  
1 1 1 -31 1   9  o 21.179  8.5659  237.752    304.567  412.794    473.024  113.797    398.057  25.326  10.506  20.683  9.1172  4.642927       13.91037  
1 1 1 -31 1   10 o 34.260  8.4522  810.994    311.699  876.891    480.653  763.169    409.472  32.612  11.232  31.343  10.367  1.269238       15.28460  
1 1 1 -31 1   11 o 54.892  5.4372  1810.10    319.014  1669.01    448.294  1954.85    454.068  49.167  8.7384  54.218  7.9701  -5.051216      11.82722  
1 1 1 -31 1   12 o 19.048  7.6460  184.283    240.684  405.377    299.148  -221.5250  405.283  24.235  8.8101  17.219  8.1549  7.015730       12.00505  
1 1 1 -31 1   13 o 17.866  7.4528  128.093    239.947  275.545    339.210  -19.5795   339.462  21.848  8.9629  17.751  8.0717  4.096533       12.06181  
1 1 1 -31 1   14 o 17.774  7.4684  120.017    243.604  127.956    343.908  112.021    345.110  19.659  8.5749  19.464  8.5371  0.1949768      12.09998  
1 1 1 -31 2   1  o 31.064  8.7174  667.387    305.269  721.119    456.302  623.854    410.718  30.576  10.911  29.028  10.352  1.547695       15.04045  
1 1 1 -31 2   2  o 25.872  9.1700  455.300    321.793  277.254    513.149  570.695    413.116  24.271  10.531  28.064  10.330  -3.793003      14.75209  
1 1 1 -31 2   3  o 35.489  7.9377  831.326    297.466  861.745    416.454  799.640    425.040  33.903  10.373  32.480  10.553  1.423130       14.79779  
1 1 1 -31 2   4  o 21.157  8.3211  243.025    279.484  112.881    390.780  379.297    399.875  20.787  9.1017  24.730  9.8806  -3.942875      13.43384  
1 1 1 -31 2   5  o 20.267  8.3544  183.174    296.466  218.545    378.874  127.313    476.127  22.029  9.2882  22.190  9.8666  -0.1607494     13.55072  
1 1 1 -31 2   6  o 25.446  8.8780  437.198    300.777  402.071    473.668  460.931    389.347  25.473  10.536  26.019  9.9320  -0.5459690     14.47912  
1 1 1 -31 2   7  o 26.776  8.9652  497.123    306.004  619.055    414.192  350.587    454.061  28.836  10.384  24.561  10.250  4.275009       14.59042  
1 1 1 -31 2   8  o 41.560  7.4516  1117.71    323.105  1094.25    482.011  1136.85    435.413  37.109  11.118  39.080  10.184  -1.971817      15.07689  
1 1 1 -31 2   9  o 31.648  8.5105  693.930    298.055  493.462    424.625  888.628    418.469  26.369  10.290  34.000  10.398  -7.630795      14.62854  
1 1 1 -31 2   10 o 18.924  7.9977  132.492    281.978  72.174     393.207  196.353    404.592  20.024  8.9307  21.719  9.3876  -1.694429      12.95702  
1 1 1 -31 2   11 o 41.884  7.0345  1127.22    307.809  960.180    421.007  1319.05    451.173  35.121  10.359  42.010  10.051  -6.889004      14.43358  
1 1 1 -31 2   12 o 53.682  5.2328  1724.28    300.382  1543.99    362.108  2122.08    537.882  49.017  7.0211  54.324  9.4868  -5.306797      11.80236  
1 1 1 -31 2   13 o 35.271  6.6073  796.146    243.140  706.787    326.894  906.795    363.757  30.932  9.1296  34.911  9.4077  -3.979277      13.10930  
1 1 1 -31 2   14 o 15.098  6.9010  -66.4910   252.221  114.379    338.025  -293.6802  378.844  19.381  8.4762  16.011  7.6665  3.370184       11.42895  
1 1 1 -31 3   1  o 26.110  9.1499  467.704    319.654  470.042    449.636  465.315    454.521  26.345  10.493  26.290  10.523  0.5493927E-01  14.86077  
1 1 1 -31 3   2  o 18.519  7.9525  89.367     286.660  -281.5184  405.278  460.694    405.519  17.079  8.1078  26.096  10.091  -9.016947      12.94492  
1 1 1 -31 3   3  o 22.213  8.5404  289.844    289.176  -80.4031   401.384  689.414    416.975  18.806  8.6362  30.335  10.460  -11.52980      13.56484  
1 1 1 -31 3   4  o 20.281  8.1953  198.945    278.518  420.186    386.305  -40.5517   401.927  25.344  9.8357  19.223  8.7573  6.121132       13.16933  
1 1 1 -31 3   5  o 46.095  6.5345  1313.26    317.101  1346.21    408.392  1263.24    503.204  44.593  8.7681  40.420  11.138  4.172527       14.17478  
1 1 1 -31 3   6  o 65.791  4.8355  2521.16    342.156  2720.42    485.411  2324.39    482.368  66.067  6.8847  60.262  7.5565  5.804798       10.22246  
1 1 1 -31 3   7  o 69.684  4.6159  2812.86    346.416  2776.21    500.291  2846.63    480.142  66.450  7.0593  67.852  6.6176  -1.401672      9.676073  
1 1 1 -31 3   8  o 29.757  8.3012  606.644    277.673  866.115    387.130  331.715    398.496  34.183  9.8916  23.735  9.7233  10.44783       13.87033  
1 1 1 -31 3   9  o 19.554  8.2077  154.087    293.713  132.033    405.705  178.375    425.768  21.014  9.2356  21.853  9.5362  -0.8393383     13.27539  
1 1 1 -31 3   10 o 32.681  8.4257  739.555    300.154  766.641    409.903  708.240    440.737  31.402  10.371  29.927  10.718  1.475193       14.91484  
1 1 1 -31 3   11 o 54.789  4.7780  1763.81    280.700  1754.98    346.552  1780.66    478.634  53.380  6.1038  50.341  9.1139  3.039417       10.96905  
1 1 1 -31 3   12 o 26.042  8.4025  475.838    269.767  500.965    328.187  423.491    473.693  26.243  9.2650  25.010  10.456  1.233286       13.96995  
1 1 1 -31 3   13 o 22.801  8.5572  344.755    286.118  198.335    339.335  704.878    532.174  20.626  8.7484  28.717  11.422  -8.090824      14.38777  
1 1 1 -31 3   14 o 24.263  8.1374  406.572    252.107  499.562    350.810  307.255    362.547  25.972  9.5255  22.533  9.2577  3.439175       13.28311  
1 1 1 -31 4   1  o 38.907  7.7163  987.140    313.682  1072.60    423.237  882.987    467.248  38.247  10.076  33.493  11.074  4.753883       14.97185  
1 1 1 -31 4   2  o 40.385  7.5622  1053.35    318.624  856.508    424.306  1307.88    482.483  33.630  10.501  41.827  10.628  -8.196518      14.94081  
1 1 1 -31 4   3  o 67.516  4.6813  2640.60    340.213  2871.11    474.417  2396.56    488.145  68.445  6.4765  61.321  7.5065  7.124249       9.914286  
1 1 1 -31 4   4  o 50.810  5.7988  1552.22    313.406  1098.98    426.107  2086.37    462.584  38.845  10.051  56.982  7.6918  -18.13692      12.65649  
1 1 1 -31 4   5  o 27.698  8.8545  530.305    300.096  350.402    403.494  753.010    448.934  24.267  9.8438  31.270  10.850  -7.002861      14.64996  
1 1 1 -31 4   6  o 15.675  7.1902  -97.1878   277.160  136.672    389.491  -337.0791  394.482  21.016  9.1470  16.379  7.8375  4.636829       12.04549  
1 1 1 -31 4   7  o 17.133  7.5212  29.997     268.350  -7.9185    399.039  61.302     362.584  19.424  8.8007  19.557  8.6570  -0.1332340     12.34486  
1 1 1 -31 4   8  o 27.350  8.6267  518.811    285.592  667.567    381.595  329.386    430.609  29.894  10.012  23.956  9.9879  5.938061       14.14169  
1 1 1 -31 4   9  o 32.777  8.5723  745.553    307.786  948.654    424.412  520.242    447.017  35.153  10.410  26.812  10.531  8.341608       14.80731  
1 1 1 -31 4   10 o 20.283  8.2796  205.148    287.650  174.279    391.316  241.436    424.276  21.254  9.2094  22.523  9.6735  -1.269463      13.35627  
1 1 1 -31 4   11 o 40.269  6.3179  1012.89    266.489  1071.77    315.543  866.422    497.652  40.409  7.4852  31.981  11.396  8.428820       13.63468  
1 1 1 -31 4   12 o 56.764  4.9058  1905.50    298.653  1837.85    354.293  2071.58    555.135  54.527  6.1037  52.828  10.070  1.699184       11.77511  
1 1 1 -31 4   13 o 15.234  6.9508  -61.8661   254.467  -59.6439   304.826  -66.9751   462.196  16.536  7.5689  19.460  9.0524  -2.924212      11.79975  
1 1 1 -31 4   14 o 21.174  8.1923  274.768    267.358  148.186    399.841  377.131    359.562  20.714  9.1339  23.680  9.3985  -2.966473      13.10573  
1 1 1 -31 5   1  o 41.546  6.8859  1085.70    299.003  985.172    424.908  1184.30    420.831  36.298  10.320  40.731  9.6815  -4.433563      14.15011  
1 1 1 -31 5   2  o 39.442  7.7557  1014.29    319.515  901.813    418.950  1170.66    493.991  34.671  10.360  38.756  11.162  -4.085224      15.22873  
1 1 1 -31 5   3  o 51.145  6.1165  1589.73    332.101  1605.09    485.449  1576.22    455.320  47.721  9.7222  47.993  9.0922  -0.2715302     13.31125  
1 1 1 -31 5   4  o 14.975  6.9799  -159.1662  277.029  -285.0273  372.697  -3.7691    414.125  16.304  7.7501  19.826  8.9759  -3.522409      11.85875  
1 1 1 -31 5   5  o 42.165  7.1085  1126.02    313.091  1228.38    419.240  996.942    470.784  41.783  9.4812  35.735  11.045  6.048077       14.55634  
1 1 1 -31 5   6  o 61.833  5.0344  2241.74    334.235  2222.88    468.924  2261.22    476.527  58.956  7.5144  59.387  7.5814  -0.4314384     10.67444  
1 1 1 -31 5   7  o 20.730  8.5105  205.746    306.100  21.568     465.902  345.627    406.028  20.843  9.4693  24.094  9.8363  -3.251848      13.65358  
1 1 1 -31 5   8  o 24.794  8.6976  415.058    288.864  381.766    389.008  455.979    431.287  24.459  9.7543  25.847  10.282  -1.387690      14.17291  
1 1 1 -31 5   9  o 20.797  8.6049  208.040    316.145  258.068    465.076  165.064    431.053  23.251  10.057  21.748  9.5399  1.503525       13.86222  
1 1 1 -31 5   10 o 18.579  7.9082  115.507    279.008  -199.2767  384.423  465.894    405.581  17.100  8.0508  25.734  10.053  -8.634518      12.87911  
1 1 1 -31 5   11 o 23.171  8.1197  356.685    251.726  393.458    296.364  261.443    476.953  24.068  8.7661  23.161  10.101  0.9069538      13.37404  
1 1 1 -31 5   12 o 24.846  8.2934  427.618    261.849  357.579    310.702  599.304    486.456  23.234  8.8716  27.489  10.925  -4.255226      14.07338  
1 1 1 -31 5   13 o 60.766  4.6790  2169.71    305.581  2008.10    362.145  2569.25    569.427  57.118  5.9407  60.416  8.9747  -3.297943      10.76275  
1 1 1 -31 5   14 o 40.865  5.8388  1030.66    251.085  975.544    355.883  1085.28    354.298  36.704  9.0170  39.329  8.5604  -2.624756      12.43330  
1 1 1 -31 6   1  o 43.803  6.7554  1199.38    310.194  1402.68    467.040  1038.92    414.929  44.083  10.010  37.675  10.001  6.408291       14.15027  
1 1 1 -31 6   2  o 28.515  8.6394  559.540    289.868  577.495    367.682  530.055    471.171  28.329  9.8197  27.346  10.789  0.9832306      14.58839  
1 1 1 -31 6   3  f 28.004  9.0603  547.043    313.495  480.250    457.798  606.023    430.188  26.574  10.587  28.660  10.543  -2.085915      14.94069  
1 1 1 -31 6   4  o 40.721  7.0887  1050.31    301.291  1187.72    405.209  880.419    450.572  41.277  9.2881  33.741  10.856  7.536251       14.28730  
1 1 1 -31 6   5  o 22.922  8.6558  323.382    293.713  236.556    388.397  439.357    448.883  22.389  9.4201  25.895  10.425  -3.506582      14.05068  
1 1 1 -31 6   6  o 21.878  8.6548  267.866    303.991  495.318    398.359  -49.2589   470.375  26.622  10.074  20.294  9.3305  6.328363       13.73104  
1 1 1 -31 6   7  o 14.146  6.7122  -235.1182  277.086  -259.0020  388.139  -210.2963  395.688  16.809  7.9666  17.387  8.1804  -0.5772800     11.41868  
1 1 1 -31 6   8  o 23.742  8.4894  370.485    276.375  585.653    375.720  116.786    407.976  28.223  9.9183  20.909  9.2229  7.313599       13.54379  
1 1 1 -31 6   9  o 20.975  8.3383  241.776    283.434  67.688     402.902  412.341    398.802  20.192  9.0204  24.925  9.8963  -4.732319      13.39040  
1 1 1 -31 6   10 o 17.827  7.4751  114.042    243.207  -101.9008  306.138  483.507    400.438  16.239  7.4884  26.023  10.038  -9.784317      12.52326  
1 1 1 -31 6   11 f 19.493  7.9168  187.731    261.327  197.157    312.613  165.863    476.163  20.413  8.5103  22.086  9.8407  -1.673569      13.01018  
1 1 1 -31 6   12 o 24.707  8.4881  424.726    274.430  260.961    333.246  769.801    483.739  21.617  8.8779  30.203  11.167  -8.585688      14.26632  
1 1 1 -31 6   13 o 23.280  8.3653  367.181    268.669  500.737    323.200  68.484     483.341  26.168  9.1988  20.988  9.5776  5.180210       13.27962  
1 1 1 -31 6   14 o 49.984  5.7308  1529.71    304.648  1471.26    367.940  1657.15    543.284  47.269  7.4321  45.225  11.160  2.043762       13.40794  
1 1 1 -31 7   1  o 20.356  8.3297  194.538    292.045  363.741    440.501  61.837     390.105  24.673  10.179  20.081  8.9297  4.592381       13.54042  
1 1 1 -31 7   2  o 26.642  8.7007  485.475    288.776  545.270    366.309  387.298    469.375  27.655  9.7857  25.250  10.469  2.405413       14.33054  
1 1 1 -31 7   3  o 17.280  7.7988  -36.3018   309.816  134.817    440.969  -203.1076  435.376  21.778  9.5981  18.345  8.6152  3.432278       12.89750  
1 1 1 -31 7   4  o 15.229  7.0578  -135.6071  276.959  -197.1439  364.799  -51.8732   425.537  16.875  7.9123  19.528  8.9400  -2.653513      11.93847  
1 1 1 -31 7   5  o 24.241  8.7428  384.422    293.747  708.813    387.882  -51.8069   449.803  30.936  10.083  19.946  9.1534  10.98959       13.61796  
1 1 1 -31 7   6  o 56.968  5.3627  1924.71    326.997  1703.81    455.528  2159.55    469.685  50.304  8.6739  57.890  7.6805  -7.585896      11.58565  
1 1 1 -31 7   7  o 57.969  5.1260  1981.24    318.529  1774.61    444.546  2199.26    456.632  51.784  8.1990  58.727  7.3392  -6.942398      11.00395  
1 1 1 -31 7   8  o 21.543  8.5569  259.632    298.266  563.136    417.576  -56.5064   426.179  27.631  10.344  19.344  8.8890  8.287704       13.63872  
1 1 1 -31 7   9  o 19.038  8.0584  131.462    286.978  180.747    397.721  77.933     414.495  21.490  9.2980  20.484  9.1501  1.005545       13.04521  
1 1 1 -31 7   10 o 24.558  8.0652  407.361    248.003  348.564    289.326  570.232    481.537  23.148  8.6212  27.414  10.878  -4.265570      13.87976  
1 1 1 -31 7   11 o 30.977  7.7198  646.968    258.080  686.212    303.184  543.717    491.774  31.107  8.6728  26.862  10.878  4.245661       13.91184  
1 1 1 -31 7   12 o 19.399  7.8420  191.924    255.119  227.593    301.398  101.783    479.131  20.684  8.4628  21.315  9.6519  -0.6310883     12.83660  
1 1 1 -31 7   13 o 15.543  7.1472  -84.1266   276.124  -55.6458   341.999  -137.4555  467.983  17.412  7.9872  18.978  8.9186  -1.565596      11.97230  
1 1 1 -31 7   14 o 17.159  7.5548  45.705     272.532  -138.9315  332.763  421.858    474.961  16.315  7.6199  24.810  10.427  -8.494549      12.91431  
1 1 1 -31 8   1  o 33.110  8.2340  740.131    294.047  929.777    404.894  528.484    427.736  35.439  10.073  27.196  10.403  8.242886       14.48077  
1 1 1 -31 8   2  o 42.943  7.4476  1184.29    333.845  1167.04    457.569  1203.93    488.171  39.460  10.516  39.497  11.003  -0.3680420E-01 15.21976  
1 1 1 -31 8   3  o 29.836  8.7182  615.659    299.426  612.700    412.335  618.962    435.520  28.819  10.362  28.846  10.608  -0.2786064E-01 14.82963  
1 1 1 -31 8   4  o 24.660  9.1773  398.609    327.742  663.348    432.062  39.842     502.973  29.676  10.614  21.653  9.8382  8.022614       14.47237  
1 1 1 -31 8   5  o 20.482  8.2360  210.470    279.784  178.270    358.414  260.699    447.646  21.117  8.9752  23.367  9.9833  -2.249990      13.42462  
1 1 1 -31 8   6  o 22.197  8.4147  297.045    278.260  767.798    376.749  -267.9754  412.750  32.307  9.8630  17.304  8.2052  15.00311       12.82984  
1 1 1 -31 8   7  o 26.354  8.6789  478.189    287.109  526.346    389.877  421.131    424.380  27.067  10.022  25.323  10.157  1.744339       14.26921  
1 1 1 -31 8   8  o 38.572  7.7644  980.191    313.149  825.996    433.476  1148.50    452.881  32.522  10.662  38.851  10.509  -6.328564      14.97027  
1 1 1 -31 8   9  o 54.105  4.7670  1713.79    276.495  1729.53    341.172  1683.68    471.966  53.203  6.0269  49.037  9.2247  4.166302       11.01903  
1 1 1 -31 8   10 o 40.363  6.5438  1024.19    276.283  862.880    328.618  1413.13    510.280  35.113  8.6882  42.334  11.021  -7.221443      14.03386  
1 1 1 -31 8   11 o 31.813  7.9321  688.888    272.372  694.297    325.450  676.242    497.629  30.892  9.1070  28.809  11.168  2.082966       14.41050  
1 1 1 -31 8   12 o 46.471  5.7838  1323.12    284.818  1259.64    337.515  1480.15    530.832  43.840  7.3696  42.447  11.333  1.392918       13.51872  
1 1 1 -31 8   13 o 34.430  7.7770  802.876    283.164  756.767    340.127  907.008    511.134  31.913  9.2823  32.114  11.538  -0.2011433     14.80866  
1 1 1 -31 8   14 o 19.669  8.1599  186.198    285.388  220.121    354.237  123.458    481.744  21.105  8.9443  21.451  9.6990  -0.3460064     13.19360  
1 1 1 -31 9   1  o 19.883  8.2597  167.787    292.963  114.504    432.969  212.782    397.878  21.357  9.4566  22.106  9.4275  -0.7494736     13.35311  
1 1 1 -31 9   2  o 50.854  6.3315  1586.54    341.184  1425.11    465.005  1774.80    502.147  44.600  9.8858  50.353  9.5570  -5.752663      13.75013  
1 1 1 -31 9   3  o 65.720  4.6611  2503.34    329.630  2643.25    441.126  2326.43    496.023  65.857  6.2595  59.975  7.8222  5.882694       10.01841  
1 1 1 -31 9   4  o 25.629  9.2330  445.912    327.495  563.164    431.127  285.952    503.560  27.847  10.494  24.233  10.474  3.614477       14.82615  
1 1 1 -31 9   5  o 22.191  8.3624  297.721    273.790  186.821    343.977  489.451    452.280  21.022  8.8562  26.629  10.550  -5.606352      13.77412  
1 1 1 -31 9   6  o 24.810  8.5850  411.880    280.975  580.969    381.390  211.177    415.517  28.234  9.9857  22.295  9.5741  5.939064       13.83394  
1 1 1 -31 9   7  o 25.014  8.6480  423.356    285.084  320.500    385.102  548.065    424.044  23.468  9.5798  27.398  10.387  -3.929998      14.13040  
1 1 1 -31 9   8  o 22.398  8.3903  312.162    274.816  18.787     369.534  675.205    411.075  19.088  8.5748  29.754  10.379  -10.66652      13.46295  
1 1 1 -31 9   9  o 22.686  7.9206  333.642    239.424  312.270    277.298  396.243    474.590  22.351  8.4172  25.033  10.465  -2.682236      13.43029  
1 1 1 -31 9   10 o 17.963  7.4895  123.360    242.124  -51.7887   282.940  602.469    467.959  16.233  7.3767  27.895  10.825  -11.66191      13.09986  
1 1 1 -31 9   11 o 20.986  8.0654  263.025    257.838  290.838    303.563  190.997    488.519  21.964  8.6615  22.462  9.9907  -0.4983597     13.22249  
1 1 1 -31 9   12 o 24.304  8.5970  410.039    282.698  414.579    345.404  400.826    492.019  24.400  9.3451  24.723  10.512  -0.3231182     14.06536  
1 1 1 -31 9   13 o 28.063  8.4260  558.564    276.642  431.226    332.457  845.218    498.811  24.701  9.2331  31.236  11.373  -6.534718      14.64930  
1 1 1 -31 9   14 o 32.701  8.1208  742.434    286.315  559.945    345.141  1145.16    512.723  27.257  9.5102  36.260  11.572  -9.002937      14.97834  
1 1 1 -31 10  1  o 18.293  7.8861  82.222     283.997  7.5417     387.719  168.675    417.161  19.385  8.7387  21.766  9.4701  -2.381701      12.88595  
1 1 1 -31 10  2  o 23.970  8.7663  373.093    296.815  153.363    380.255  715.746    474.851  21.075  9.1052  30.301  11.087  -9.226130      14.34664  
1 1 1 -31 10  3  o 30.223  8.4494  624.853    287.351  641.728    375.248  600.929    446.807  29.598  9.9278  28.458  10.691  1.139563       14.58958  
1 1 1 -31 10  4  o 43.094  7.0586  1174.79    318.056  1261.06    433.828  1074.53    467.676  42.037  9.7220  37.293  10.895  4.744415       14.60221  
1 1 1 -31 10  5  o 45.235  6.0888  1248.07    290.738  1440.80    374.317  954.989    461.596  47.301  7.5610  34.943  10.959  12.35760       13.31449  
1 1 1 -31 10  6  o 35.815  7.5663  837.608    284.308  759.756    390.584  925.345    414.638  31.873  10.092  35.080  10.262  -3.206738      14.39301  
1 1 1 -31 10  7  o 15.263  7.0094  -97.0102   264.441  -174.4939  345.986  11.843     410.085  16.552  7.7434  19.772  8.9435  -3.219837      11.82990  
1 1 1 -31 10  8  o 15.605  6.8438  14.683     221.712  -5.2111    260.806  66.525     421.018  16.364  7.2876  20.506  9.1863  -4.141979      11.72597  
1 1 1 -31 10  9  o 22.065  8.0215  307.763    247.990  320.372    290.397  273.797    476.610  22.603  8.5896  23.491  10.171  -0.8887997     13.31302  
1 1 1 -31 10  10 o 24.474  8.0876  405.414    249.244  409.656    290.851  393.684    483.587  24.482  8.7137  24.903  10.496  -0.4213333     13.64193  
1 1 1 -31 10  11 o 25.487  8.1371  447.196    253.501  423.189    295.634  513.877    492.700  24.698  8.7856  26.399  10.813  -1.700718      13.93213  
1 1 1 -31 10  12 o 22.643  8.3433  338.513    269.582  510.326    322.921  -56.5837   489.689  26.420  9.2000  19.999  9.3079  6.421019       13.08732  
1 1 1 -31 10  13 o 18.238  7.8349  105.609    278.436  148.622    341.791  20.745     480.089  19.959  8.6277  20.524  9.4324  -0.5644665     12.78309  
1 1 1 -31 10  14 o 45.155  6.2049  1274.35    295.447  1501.79    354.320  755.363    535.230  48.249  6.9832  29.367  11.526  18.88216       13.47675  
1 1 1 -31 11  1  o 45.961  6.1359  1292.12    297.819  1159.50    409.040  1441.75    434.469  40.372  9.5108  45.669  9.1029  -5.297230      13.16510  
1 1 1 -31 11  2  o 34.693  8.6704  827.946    324.898  995.299    435.403  617.684    488.040  36.238  10.491  28.609  11.068  7.629513       15.25048  
1 1 1 -31 11  3  o 55.915  5.4641  1860.63    326.689  1514.48    429.067  2338.08    503.923  47.368  8.6831  59.912  7.9629  -12.54417      11.78149  
1 1 1 -31 11  4  o 26.398  8.5110  474.308    276.818  433.554    361.996  531.701    429.581  25.407  9.6057  27.266  10.427  -1.858946      14.17696  
1 1 1 -31 11  5  o 22.421  8.5475  304.101    288.131  147.421    382.261  510.229    438.452  21.006  9.1022  26.881  10.466  -5.874664      13.87009  
1 1 1 -31 11  6  o 28.483  8.7713  566.182    297.212  533.163    376.195  621.022    484.814  27.242  9.8834  28.565  11.037  -1.322430      14.81563  
1 1 1 -31 11  7  o 18.239  7.8683  82.944     283.142  422.258    347.723  -584.7298  487.770  25.021  9.4250  16.687  8.1549  8.334169       12.46331  
1 1 1 -31 11  8  o 13.357  6.2323  -142.2629  221.778  -216.4539  253.825  97.153     455.968  13.579  6.4376  21.337  9.5593  -7.758458      11.52491  
1 1 1 -31 11  9  o 20.551  7.9297  241.937    249.964  229.123    293.455  275.813    477.145  20.823  8.4130  23.505  10.177  -2.682455      13.20428  
1 1 1 -31 11  10 o 14.739  6.7368  -75.9365   240.365  22.595     281.028  -344.4474  463.919  17.169  7.6095  17.554  8.4261  -0.3858509     11.35362  
1 1 1 -31 11  11 o 30.746  8.0585  650.335    271.620  668.457    323.252  606.805    500.991  30.255  9.1136  27.692  11.061  2.563345       14.33203  
1 1 1 -31 11  12 o 19.869  2.9043  224.482    60.655   798.993    348.182  206.501    61.597   32.785  9.3486  18.978  3.1040  13.80783       9.850471  
1 1 1 -31 11  13 o 23.829  8.4553  389.790    273.661  405.684    328.721  353.903    493.952  24.187  9.1514  24.141  10.404  0.4537392E-01  13.85595  
1 1 1 -31 11  14 o 15.245  7.0315  -94.2670   270.127  -28.9887   326.872  -234.8713  479.726  17.368  7.9065  18.399  8.7593  -1.030722      11.79988  
1 1 1 -31 12  1  o 23.752  8.6652  367.233    289.755  573.745    412.194  165.498    407.398  27.921  10.312  21.555  9.3683  6.365847       13.93176  
1 1 1 -31 12  2  o 24.039  8.7890  377.302    298.328  411.914    367.523  310.441    510.804  24.984  9.6222  24.495  10.568  0.4889965      14.29217  
1 1 1 -31 12  3  o 20.152  8.3532  177.697    298.705  433.069    417.030  -91.3525   428.051  25.575  10.131  19.140  8.8364  6.434315       13.44299  
1 1 1 -31 12  4  o 18.538  7.7249  128.931    257.385  111.237    324.579  158.906    422.464  19.544  8.4280  21.735  9.4915  -2.190983      12.69330  
1 1 1 -31 12  5  o 16.211  7.4295  -89.7115   294.981  -42.7704   404.515  -143.0213  431.083  19.150  8.7478  18.703  8.7143  0.4465160      12.34759  
1 1 1 -31 12  6  o 20.759  8.2087  233.346    273.354  310.257    363.163  132.812    415.206  23.120  9.3527  21.239  9.3387  1.880695       13.21687  
1 1 1 -31 12  7  o 20.334  7.6592  239.250    229.623  277.734    273.516  147.369    422.625  21.654  8.3106  21.489  9.4358  0.1653366      12.57383  
1 1 1 -31 12  8  o 35.036  7.1184  791.610    260.916  847.311    305.595  641.794    501.177  35.416  8.1376  28.648  11.179  6.768187       13.82735  
1 1 1 -31 12  9  o 31.812  7.6431  674.270    260.065  739.431    305.148  501.316    497.143  32.589  8.5414  26.497  10.858  6.092127       13.81509  
1 1 1 -31 12  10 o 18.492  7.4651  161.729    230.844  81.675     263.973  421.962    475.937  17.677  7.6117  25.209  10.505  -7.532583      12.97250  
1 1 1 -31 12  11 o 21.627  8.2560  289.402    269.036  428.091    323.679  -20.5384   483.875  24.754  9.1384  20.319  9.3856  4.434385       13.09967  
1 1 1 -31 12  12 o 20.064  8.1248  213.162    274.359  196.271    330.261  250.779    492.856  20.516  8.6621  22.982  10.137  -2.466084      13.33386  
1 1 1 -31 12  13 o 21.969  8.7035  296.035    307.829  280.491    392.900  320.744    495.367  22.441  9.4601  23.763  10.329  -1.321716      14.00659  
1 1 1 -31 12  14 o 22.753  8.5424  343.513    285.184  213.932    346.486  615.671    502.143  20.933  8.8572  27.512  11.044  -6.579050      14.15692  
1 1 1 -31 13  1  o 16.001  7.3299  -86.9836   286.703  -29.8705   391.703  -152.8896  420.777  19.002  8.6523  18.376  8.5777  0.6262951      12.18358  
1 1 1 -31 13  2  o 21.636  8.2989  274.899    272.651  236.969    328.522  358.845    488.739  21.557  8.8295  24.874  10.522  -3.316927      13.73562  
1 1 1 -31 13  3  o 26.566  8.6356  484.409    284.592  630.853    374.929  285.333    437.144  29.290  9.9231  23.505  9.9472  5.785023       14.05047  
1 1 1 -31 13  4  o 24.046  8.2600  381.105    259.877  226.345    325.027  655.386    432.701  21.343  8.7668  29.382  10.609  -8.039112      13.76245  
1 1 1 -31 13  5  o 25.081  8.9155  425.707    304.393  84.406     413.275  830.401    450.023  20.659  9.1887  32.504  10.872  -11.84534      14.23508  
1 1 1 -31 13  6  o 22.575  8.2959  321.068    266.271  262.394    343.690  409.163    421.131  22.123  9.0427  25.099  10.100  -2.975676      13.55673  
1 1 1 -31 13  7  o 17.036  7.1436  93.364     222.118  56.289     252.795  218.917    465.202  17.118  7.4097  22.851  9.9701  -5.733494      12.42198  
1 1 1 -31 13  8  o 14.713  6.6430  -47.9686   225.065  -8.5110    256.341  -180.7151  470.181  16.179  7.2136  18.980  8.9259  -2.800629      11.47644  
1 1 1 -31 13  9  o 28.067  7.5932  527.204    236.421  569.266    269.109  384.931    494.936  28.732  8.2277  24.930  10.569  3.802601       13.39411  
1 1 1 -31 13  10 o 21.421  7.9750  284.343    247.543  291.686    287.491  263.290    486.786  21.890  8.4878  23.306  10.183  -1.415823      13.25638  
1 1 1 -31 13  11 o 17.436  7.5783  66.975     266.613  152.616    320.952  -123.6926  478.891  19.771  8.4503  19.357  9.0729  0.4139404      12.39856  
1 1 1 -31 13  12 o 16.043  7.2459  -29.2153   268.047  120.918    322.289  -366.0905  482.770  19.271  8.3540  17.618  8.4919  1.653404       11.91232  
1 1 1 -31 13  13 o 14.282  6.7229  -176.5990  267.792  -76.3905   323.121  -396.3987  478.549  16.781  7.7220  17.333  8.3794  -0.5519371     11.39488  
1 1 1 -31 13  14 o 25.332  8.8116  457.900    296.192  559.670    367.926  270.487    499.284  27.128  9.7845  23.189  10.217  3.939034       14.14645  
1 1 1 -31 14  1  o 33.168  7.9481  737.269    281.797  843.943    373.939  597.071    428.690  33.912  9.6946  28.209  10.496  5.702892       14.28845  
1 1 1 -31 14  2  o 21.222  8.4526  245.074    291.768  188.036    393.943  314.377    434.238  21.650  9.3105  23.815  9.9872  -2.164968      13.65393  
1 1 1 -31 14  3  o 16.083  7.3257  -69.2682   281.121  -100.6482  364.262  -23.0508   442.069  17.725  8.1720  19.996  9.1383  -2.270720      12.25931  
1 1 1 -31 14  4  o 25.093  8.5834  425.364    280.549  503.686    364.336  311.276    439.727  26.679  9.7192  23.837  10.026  2.842382       13.96365  
1 1 1 -31 14  5  o 16.754  7.6096  -54.3280   300.592  124.658    400.188  -286.0424  455.335  20.920  9.1840  17.978  8.5518  2.941898       12.54902  
1 1 1 -31 14  6  o 18.604  7.3829  168.739    221.843  117.093    261.822  300.187    417.701  18.363  7.7307  23.439  9.8102  -5.076092      12.49012  
1 1 1 -31 14  7  o 20.191  7.7782  228.441    240.204  307.233    279.036  2.9743     472.020  22.309  8.4337  20.643  9.4376  1.665218       12.65688  
1 1 1 -31 14  8  o 45.121  5.5338  1225.66    264.771  1165.49    306.217  1403.89    527.044  42.934  6.8125  41.893  11.339  1.041195       13.22779  
1 1 1 -31 14  9  o 27.575  7.9734  518.541    251.630  567.451    291.417  375.211    498.865  28.355  8.6777  24.808  10.568  3.546629       13.67385  
1 1 1 -31 14  10 o 19.032  7.8737  159.810    264.648  36.087     316.973  444.544    480.857  18.116  8.0529  25.503  10.587  -7.387058      13.30168  
1 1 1 -31 14  11 o 30.825  7.6767  642.330    255.329  730.070    295.203  381.763    508.725  32.310  8.3687  24.663  10.593  7.646740       13.49953  
1 1 1 -31 14  12 o 54.770  5.2648  1798.25    308.467  1787.51    368.148  1823.55    565.124  53.300  6.5126  47.866  11.114  5.433525       12.88144  
1 1 1 -31 14  13 o 35.786  7.9597  873.250    300.550  1091.23    367.887  435.782    521.164  39.147  8.8805  25.246  10.779  13.90077       13.96579  
1 1 1 -31 15  1  f 28.939  8.4043  577.743    279.018  537.959    367.903  631.605    428.081  27.268  9.7900  28.812  10.529  -1.543903      14.37734  
1 1 1 -31 15  2  o 23.688  8.7003  365.735    292.807  276.220    392.979  477.454    439.021  22.849  9.5352  26.216  10.391  -3.367386      14.10329  
1 1 1 -31 15  3  o 15.579  7.2276  -135.0258  291.616  -179.8494  360.230  -49.8007   496.719  16.841  7.8856  20.598  9.5126  -3.757202      12.35605  
1 1 1 -31 15  4  o 26.435  8.7879  483.559    294.111  648.527    393.119  273.835    443.249  29.431  10.156  23.345  9.9531  6.086067       14.22024  
1 1 1 -31 15  5  o 42.058  6.5661  1103.69    289.334  1205.29    364.729  931.211    475.214  42.467  8.2266  34.051  11.163  8.416695       13.86719  
1 1 1 -31 15  6  o 44.191  5.4993  1171.84    257.525  1177.90    298.194  1154.08    510.810  43.480  6.5341  37.656  11.482  5.823521       13.21099  
1 1 1 -31 15  7  o 27.838  7.8368  521.781    246.300  496.701    285.268  595.232    488.183  26.740  8.6419  27.981  11.000  -1.241362      13.98861  
1 1 1 -31 15  8  o 13.422  6.3573  -206.9070  246.392  -240.8203  289.451  -117.6753  469.516  14.389  6.8369  19.460  9.0759  -5.070933      11.36290  
1 1 1 -31 15  9  o 25.228  7.8279  429.458    236.209  439.683    268.891  394.899    494.345  25.284  8.4025  25.004  10.580  0.2799721      13.51041  
1 1 1 -31 15  10 o 17.232  7.3070  92.118     236.629  139.088    271.675  -55.5203   481.657  18.775  7.8879  20.039  9.2941  -1.264277      12.19017  
1 1 1 -31 15  11 o 52.015  5.2663  1622.02    292.603  1292.81    344.203  2479.79    555.601  44.401  7.4191  59.641  8.8711  -15.23989      11.56463  
1 1 1 -31 15  12 o 21.683  8.5183  285.731    292.570  408.900    361.633  52.380     497.761  24.361  9.4991  21.088  9.6597  3.272865       13.54775  
1 1 1 -31 15  13 o 35.284  7.5245  831.143    278.781  933.072    329.964  576.892    521.134  36.472  8.5087  27.023  11.101  9.448574       13.98640  
1 1 1 -31 16  1  o 23.121  8.6201  341.861    289.406  449.802    394.052  215.455    426.427  25.596  9.9337  22.346  9.6483  3.249121       13.84798  
1 1 1 -31 16  2  f 22.137  8.4771  296.222    284.193  260.926    361.594  353.253    459.637  22.272  9.2079  24.494  10.274  -2.221655      13.79615  
1 1 1 -31 16  3  o 55.700  5.3647  1846.02    319.643  2035.18    412.624  1562.17    505.462  57.001  6.8188  45.895  10.408  11.10685       12.44279  
1 1 1 -31 16  4  o 63.138  4.7322  2322.54    321.257  2265.82    393.471  2435.96    556.396  61.056  6.0287  59.842  8.8514  1.213947       10.70948  
1 1 1 -31 16  5  o 46.035  4.8699  1244.70    239.130  1245.65    266.589  1240.83    540.974  45.569  5.5135  38.670  11.821  6.899582       13.04383  
1 1 1 -31 16  6  o 30.620  7.2835  612.526    238.036  612.940    272.492  611.194    489.051  29.986  8.1685  28.277  11.041  1.708672       13.73401  
1 1 1 -31 16  7  o 17.336  7.1287  117.583    215.200  174.667    241.474  -102.7439  474.404  19.030  7.6516  19.702  9.1668  -0.6715107     11.94063  
1 1 1 -31 16  8  o 24.065  7.9749  386.873    242.281  386.629    279.016  387.621    488.504  24.018  8.5360  24.965  10.537  -0.9464684     13.56105  
1 1 1 -31 16  9  o 18.163  7.5580  130.056    245.894  238.676    286.009  -177.7429  481.458  20.855  8.3478  19.098  8.9970  1.757223       12.27323  
1 1 1 -31 16  10 o 27.317  8.1609  516.769    259.986  412.511    303.841  801.774    502.362  24.468  8.8814  30.776  11.380  -6.307695      14.43565  
1 1 1 -31 16  11 f 35.816  7.5381  853.842    283.167  936.581    338.366  660.469    517.286  36.411  8.6989  28.303  11.260  8.108419       14.22911  
1 1 1 -31 16  12 o 29.230  1.9191  470.739    60.418   537.974    301.644  467.929    61.668   27.275  8.8917  29.129  1.9661  -1.854229      9.106474  
1 1 1 -31 16  13 o 22.338  8.4494  323.437    280.172  121.663    336.728  777.396    505.075  19.498  8.4953  30.037  11.349  -10.53989      14.17622  
1 1 1 -31 17  1  o 19.065  7.9633  145.074    274.452  356.846    350.295  -191.5785  441.662  23.750  9.3239  18.397  8.6516  5.353308       12.71947  
1 1 1 -31 17  2  o 19.293  8.0501  151.385    280.040  79.002     352.584  275.074    460.900  19.516  8.5928  23.477  10.083  -3.961115      13.24750  
1 1 1 -31 17  3  o 25.423  8.9404  443.259    305.312  422.770    404.438  470.406    465.533  25.212  9.9800  26.175  10.589  -0.9629021     14.55080  
1 1 1 -31 17  4  o 25.004  8.6060  423.402    282.173  427.115    356.376  417.161    461.974  25.133  9.5240  25.403  10.445  -0.2698593     14.13532  
1 1 1 -31 17  5  o 39.838  6.0143  972.494    251.430  1051.41    282.369  670.421    552.451  41.000  6.5813  29.056  11.612  11.94349       13.34742  
1 1 1 -31 17  6  o 58.202  4.2919  1952.56    268.646  1870.97    306.390  2223.89    558.708  56.297  5.0795  56.172  9.5234  0.1248245      10.79335  
1 1 1 -31 17  7  o 20.187  7.5187  239.471    220.063  223.601    247.495  299.389    480.907  20.145  7.8574  23.866  10.275  -3.721102      12.93521  
1 1 1 -31 17  8  o 16.113  7.0937  17.590     240.226  49.477     278.159  -75.9878   476.512  17.530  7.6773  19.890  9.2319  -2.360329      12.00700  
1 1 1 -31 17  9  o 20.351  8.0868  225.643    266.494  34.722     317.191  683.862    491.396  18.124  8.0563  29.074  11.144  -10.94985      13.75089  
1 1 1 -31 17  10 o 30.311  7.7603  622.638    255.863  720.092    296.676  339.719    505.491  32.079  8.4289  24.235  10.484  7.844238       13.45223  
1 1 1 -31 17  11 o 25.369  8.0760  444.102    249.849  372.303    287.110  668.120    507.141  23.482  8.6166  28.457  11.204  -4.975307      14.13404  
1 1 1 -31 17  12 o 16.409  7.2876  12.449     259.002  -30.1644   305.911  120.320    486.719  16.952  7.6908  21.602  9.7598  -4.649998      12.42585  
1 1 1 -31 17  13 o 22.763  8.3333  344.308    268.320  359.054    316.471  306.605    506.035  23.232  8.9339  23.680  10.363  -0.4481411     13.68249  
1 1 1 -31 18  1  o 27.598  8.5368  529.551    281.177  605.817    358.808  408.190    452.626  28.676  9.7075  25.120  10.335  3.555387       14.17915  
1 1 1 -31 18  2  o 36.230  8.1728  885.618    313.078  864.831    409.877  914.732    485.081  33.666  10.289  33.477  11.287  0.1891785      15.27334  
1 1 1 -31 18  3  o 31.464  8.4256  681.853    292.868  585.986    372.916  836.140    473.089  28.227  9.8833  32.206  11.140  -3.978624      14.89231  
1 1 1 -31 18  4  o 26.913  7.6729  483.215    234.567  555.035    274.801  290.397    450.265  28.394  8.3678  23.572  10.040  4.822247       13.06996  
1 1 1 -31 18  5  o 32.119  7.4854  678.843    255.590  706.299    289.650  582.262    543.250  32.150  8.2706  27.821  11.370  4.329233       14.05980  
1 1 1 -31 18  6  o 15.112  6.7973  -37.3578   233.039  -302.7356  268.849  764.528    467.340  13.229  6.3664  30.872  11.039  -17.64364      12.74353  
1 1 1 -31 18  7  o 15.872  6.9986  10.528     234.716  5.7864     270.170  25.123     473.973  16.725  7.4346  20.811  9.4921  -4.086765      12.05709  
1 1 1 -31 18  8  f 18.915  7.8140  155.243    260.108  238.339    309.005  -46.7842   481.816  21.146  8.6009  20.211  9.3461  0.9355278      12.70140  
1 1 1 -31 18  9  o 17.494  7.5061  82.571     255.012  61.011     299.857  138.919    484.758  18.117  7.9517  21.944  9.8420  -3.827188      12.65289  
1 1 1 -31 18  10 o 29.299  7.9286  588.632    257.733  455.230    298.918  975.159    508.815  25.392  8.8510  33.591  11.557  -8.198616      14.55674  
1 1 1 -31 18  11 o 24.176  2.5093  326.868    64.750   749.104    317.384  308.531    66.141   32.299  8.8227  23.438  2.6521  8.861519       9.212724  
1 1 1 -31 18  12 o 20.531  7.9587  247.536    252.707  96.957     293.134  683.318    498.676  18.415  7.9751  28.706  11.165  -10.29099      13.72105  
1 1 1 -31 18  13 o 28.486  8.6344  581.748    289.485  653.653    350.902  428.538    512.210  29.350  9.5913  25.147  10.710  4.202803       14.37679  
1 1 1 -31 19  1  o 30.292  8.6516  643.515    297.948  720.360    391.616  537.899    459.111  30.753  10.137  27.040  10.655  3.713205       14.70670  
1 1 1 -31 19  2  o 34.381  8.0534  796.750    294.630  736.063    372.019  898.860    482.562  31.406  9.8368  33.159  11.258  -1.752625      14.94976  
1 1 1 -31 19  3  f 21.740  7.6779  297.725    225.396  416.787    257.473  -92.7921   466.300  24.865  8.2202  19.671  9.1309  5.193993       12.28600  
1 1 1 -31 19  4  o 21.595  7.8410  289.462    236.848  294.083    266.524  272.110    516.491  21.916  8.2523  23.919  10.469  -2.003059      13.33013  
1 1 1 -31 19  5  f 43.990  5.5527  1165.21    258.671  1248.35    291.055  852.721    564.266  45.085  6.1184  31.540  11.976  13.54518       13.44876  
1 1 1 -31 19  6  o 40.020  6.3016  994.230    264.115  970.793    308.240  1058.97    512.284  38.393  7.6808  35.622  11.586  2.770935       13.90104  
1 1 1 -31 19  7  o 17.788  7.4034  119.083    236.013  29.341     271.638  395.492    476.725  17.089  7.5323  24.991  10.472  -7.902405      12.89922  
1 1 1 -31 19  8  o 30.758  7.8459  639.370    262.213  530.207    307.127  932.883    503.610  27.258  8.9763  33.239  11.494  -5.980814      14.58376  
1 1 1 -31 19  9  o 11.884  5.8127  -384.5788  249.300  -396.0383  294.035  -355.2773  470.178  13.172  6.4142  17.573  8.4476  -4.400693      10.60682  
1 1 1 -31 19  10 o 20.045  7.9699  219.686    258.990  147.513    303.907  411.159    494.999  19.416  8.2588  24.978  10.579  -5.561569      13.42065  
1 1 1 -31 19  11 o 32.351  7.8535  711.541    272.418  549.875    319.955  1137.60    519.415  27.418  9.1674  36.312  11.653  -8.894939      14.82702  
1 1 1 -31 19  12 o 39.282  6.9125  993.890    283.363  1122.41    336.007  677.401    527.281  40.855  7.8789  28.485  11.357  12.37058       13.82262  
1 1 1 -31 20  1  o 21.295  8.2355  266.326    270.095  136.786    343.876  474.939    436.386  20.076  8.6661  25.995  10.342  -5.919176      13.49315  
1 1 1 -31 20  2  o 35.880  7.8364  857.342    296.007  609.372    373.285  1277.42    485.855  28.619  9.8957  40.519  10.853  -11.89964      14.68715  
1 1 1 -31 20  3  o 40.334  6.1072  1001.71    258.451  1023.68    287.310  908.532    591.688  40.188  6.8460  32.125  12.248  8.063347       14.03168  
1 1 1 -31 20  4  o 27.917  7.5423  518.220    233.452  421.128    260.461  914.891    526.461  24.949  8.2687  32.878  11.721  -7.928659      14.34412  
1 1 1 -31 20  5  o 22.339  7.8085  320.316    232.726  220.694    259.056  737.017    529.821  20.241  7.9953  29.961  11.549  -9.719984      14.04656  
1 1 1 -31 20  6  o 30.275  7.8645  618.210    260.204  459.511    300.416  1094.83    520.623  25.704  8.8780  36.076  11.676  -10.37127      14.66813  
1 1 1 -31 20  7  o 33.810  6.8823  733.429    243.456  808.414    278.055  487.112    503.951  34.989  7.5580  26.291  10.870  8.698816       13.23930  
1 1 1 -31 20  8  o 15.637  7.0220  -26.1182   247.574  -189.3391  289.607  416.949    477.152  14.858  6.9932  25.185  10.508  -10.32660      12.62253  
1 1 1 -31 20  9  o 16.605  7.1643  59.318     234.799  -16.0968   267.679  310.968    488.973  16.273  7.3050  23.817  10.307  -7.544159      12.63345  
1 1 1 -31 20  10 o 21.702  8.1473  296.499    259.404  400.841    302.177  4.1972     505.764  24.155  8.8434  20.819  9.6091  3.336243       13.05912  
1 1 1 -31 20  11 o 31.690  7.4891  670.809    252.979  687.369    289.603  617.477    519.725  31.327  8.3741  27.749  11.201  3.578140       13.98565  
1 1 1 -31 20  12 o 50.169  5.4471  1520.15    291.229  1583.07    340.108  1347.24    563.845  50.272  6.3907  39.009  12.093  11.26256       13.67741  
1 1 1 -31 21  1  o 29.473  8.3026  600.446    276.360  563.910    351.711  659.407    446.798  27.741  9.6047  29.022  10.732  -1.281061      14.40246  
1 1 1 -31 21  2  o 19.930  7.5846  226.257    226.623  155.667    258.459  461.013    471.334  18.929  7.8014  25.902  10.589  -6.972574      13.15228  
1 1 1 -31 21  3  o 24.140  7.8268  387.587    233.852  532.234    256.093  -338.3174  573.699  27.962  8.0318  19.569  9.3870  8.392618       12.35423  
1 1 1 -31 21  4  o 16.846  7.1674  76.151     228.999  65.543     256.888  117.201    505.357  17.328  7.4850  22.140  9.9792  -4.812250      12.47435  
1 1 1 -31 21  5  o 18.990  7.4689  186.245    225.167  247.510    249.317  -84.8250   524.433  20.681  7.9351  20.593  9.6002  0.8829308E-01  12.45510  
1 1 1 -31 21  6  o 36.504  6.3685  833.357    242.640  889.656    272.204  615.597    535.345  37.236  7.0064  28.091  11.358  9.144798       13.34554  
1 1 1 -31 21  7  o 31.132  7.4126  640.443    246.356  640.456    282.820  640.402    501.584  30.403  8.3384  28.440  11.160  1.962067       13.93081  
1 1 1 -31 21  8  o 36.549  7.2744  871.167    277.838  1073.54    329.599  374.300    516.451  40.112  7.8675  24.824  10.667  15.28803       13.25496  
1 1 1 -31 21  9  o 58.532  4.3892  1989.52    276.234  2128.40    314.685  1523.13    576.681  60.083  4.8778  42.141  12.036  17.94136       12.98725  
1 1 1 -31 21  10 o 39.109  6.5392  967.558    267.217  992.272    308.701  893.697    533.677  38.625  7.6496  31.844  11.738  6.780407       14.01083  
1 1 1 -31 21  11 o 18.793  7.7395  159.905    254.132  131.831    294.897  240.917    500.944  19.016  8.1130  23.042  10.189  -4.025984      13.02426  
1 1 1 -31 21  12 o 19.936  7.9626  215.430    259.602  174.138    302.763  330.076    504.491  19.797  8.3227  23.998  10.428  -4.200586      13.34177  
1 1 1 -31 22  1  o 24.187  7.5549  388.427    219.611  451.921    249.411  169.333    463.302  25.755  8.0523  22.085  9.7805  3.669472       12.66874  
1 1 1 -31 22  2  o 21.174  7.6611  277.837    225.820  290.694    247.216  213.057    554.912  21.634  7.9865  23.540  10.546  -1.905855      13.22875  
1 1 1 -31 22  3  o 25.257  8.0421  431.696    247.744  425.035    265.310  477.062    692.371  24.987  8.3479  26.899  11.932  -1.911903      14.56243  
1 1 1 -31 22  4  o 16.621  6.9707  87.513     211.565  78.383     232.609  131.235    509.022  16.961  7.2202  22.287  10.033  -5.325861      12.36106  
1 1 1 -31 22  5  o 25.319  7.9346  432.873    242.017  555.175    270.854  -51.4767   539.012  28.347  8.2943  21.035  9.7818  7.312103       12.82494  
1 1 1 -31 22  6  o 33.469  6.5693  709.457    229.640  574.417    254.492  1301.35    532.799  29.115  7.8786  39.601  11.646  -10.48654      14.06073  
1 1 1 -31 22  7  o 28.809  7.7599  560.430    247.559  555.035    284.010  577.494    505.098  28.112  8.5593  27.482  11.061  0.6303825      13.98563  
1 1 1 -31 22  8  o 23.739  8.2518  379.206    259.732  487.075    304.607  91.858     497.157  26.183  8.9439  21.605  9.8026  4.578062       13.26968  
1 1 1 -31 22  9  f 20.269  7.6540  244.361    229.656  32.684     258.440  1038.99    500.733  16.731  7.3619  34.936  11.459  -18.20558      13.62044  
1 1 1 -31 22  10 o 24.333  8.2410  404.900    258.593  412.725    299.631  382.060    511.928  24.438  8.8274  24.748  10.627  -0.3099289     13.81528  
1 1 1 -31 22  11 o 28.039  7.9791  541.810    253.905  523.565    291.754  598.764    515.469  27.062  8.7389  27.489  11.135  -0.4270554     14.15453  
1 1 1 -31 22  12 o 20.677  7.9712  253.976    252.421  208.060    291.532  391.490    504.524  20.230  8.3054  24.741  10.585  -4.511553      13.45464  
1 1 1 -31 23  1  o 17.155  8.0793  -198.2827  387.642  -551.1343  485.085  425.200    644.813  16.696  8.1538  26.080  11.545  -9.384155      14.13371  
1 1 1 -31 23  2  o 20.928  7.7912  265.316    236.255  228.737    252.265  526.354    673.892  20.268  7.9251  27.203  11.931  -6.935423      14.32307  
1 1 1 -31 23  3  o 24.753  7.8004  410.849    233.543  374.332    255.777  593.916    572.685  23.703  8.1916  27.788  11.546  -4.084612      14.15690  
1 1 1 -31 23  4  o 23.406  7.8093  361.982    232.178  433.485    259.244  72.187     521.905  25.214  8.2443  21.854  9.9648  3.360125       12.93311  
1 1 1 -31 23  5  o 36.705  6.7369  855.617    257.956  821.491    291.007  980.769    557.295  35.017  7.8650  33.402  12.043  1.615051       14.38369  
1 1 1 -31 23  6  o 56.373  4.5889  1852.39    277.753  1766.90    316.130  2141.75    581.619  54.277  5.4512  53.709  10.374  0.5672226      11.71872  
1 1 1 -31 23  7  o 49.694  4.9915  1461.63    265.031  1350.23    302.255  1832.17    551.260  46.797  6.1090  49.033  10.682  -2.236069      12.30559  
1 1 1 -31 23  8  o 14.724  6.7721  -92.9371   248.076  -82.8416   290.426  -120.1805  477.090  16.004  7.3483  19.410  9.0842  -3.405668      11.68425  
1 1 1 -31 23  9  o 22.394  7.8547  328.307    235.586  219.349    266.280  720.872    505.434  20.151  8.0588  29.387  11.293  -9.235638      13.87339  
1 1 1 -31 23  10 o 20.800  8.0251  256.087    256.003  212.099    296.922  383.506    505.351  20.419  8.3823  24.741  10.590  -4.321777      13.50570  
1 1 1 -31 23  11 o 36.905  7.0066  881.842    269.824  864.414    312.684  932.662    533.960  35.341  8.3087  32.441  11.774  2.899406       14.41052  
1 1 1 -31 24  1  o 24.722  9.6430  415.605    372.769  288.813    508.826  562.492    547.664  23.814  10.408  27.255  11.305  -3.441675      15.36640  
1 1 1 -31 24  2  o 24.603  9.6796  405.747    378.302  713.441    510.449  30.812     563.471  29.497  11.345  21.954  10.136  7.543331       15.21402  
1 1 1 -31 24  3  o 17.796  7.4913  109.300    245.820  73.691     272.866  262.689    566.318  17.776  7.6964  24.077  10.729  -6.300638      13.20443  
1 1 1 -31 24  4  o 15.684  7.0026  -14.3760   242.466  -80.1554   275.529  211.420    510.483  15.703  7.1905  23.061  10.237  -7.358353      12.50994  
1 1 1 -31 24  5  o 46.118  5.2728  1270.90    258.648  1238.34    289.609  1399.23    574.943  44.815  6.1269  40.312  12.157  4.503586       13.61365  
1 1 1 -31 24  6  o 54.624  4.7888  1751.67    280.460  1636.65    316.705  2169.66    603.750  51.950  5.7236  53.354  10.818  -1.404766      12.23867  
1 1 1 -31 24  7  o 12.336  5.9705  -311.2162  244.719  -254.6505  286.568  -463.5771  470.314  14.128  6.7381  16.889  8.1983  -2.761183      10.61197  
1 1 1 -31 24  8  o 14.627  6.7758  -116.8771  254.893  -18.3784   300.910  -367.0843  479.592  17.037  7.6877  17.640  8.4929  -0.6033306     11.45559  
1 1 1 -31 24  9  o 17.146  7.1815  103.505    224.060  71.277     251.134  229.260    496.083  17.184  7.4118  22.934  10.140  -5.749971      12.56016  
1 1 1 -31 24  10 o 13.164  6.2454  -205.5205  239.747  -307.5044  275.607  111.664    486.050  13.318  6.4187  21.595  9.7551  -8.276660      11.67735  
1 1 1 -31 24  11 o 30.617  7.8687  639.865    262.355  802.839    302.728  148.182    525.818  34.034  8.2894  22.352  10.117  11.68186       13.07938  
1 1 1 -31 25  1  o 16.596  7.8076  -190.4362  360.239  129.384    489.213  -569.2686  532.438  21.892  9.8475  17.440  8.5226  4.451902       13.02333  
1 1 1 -31 25  2  o 22.300  9.5476  239.230    410.995  558.575    610.606  -25.2948   555.731  27.309  11.663  21.382  9.9396  5.926924       15.32416  
1 1 1 -31 25  3  o 26.453  9.9357  508.889    385.879  687.851    517.943  285.635    578.497  29.068  11.359  24.363  10.852  4.705154       15.70912  
1 1 1 -31 25  4  o 21.226  7.7290  279.862    230.366  238.303    256.847  450.801    520.914  20.514  8.0036  25.833  10.891  -5.319632      13.51599  
1 1 1 -31 25  5  o 15.793  6.9801  7.5942     234.844  -55.1226   262.481  259.244    525.781  15.651  7.1094  23.654  10.450  -8.003590      12.63908  
1 1 1 -31 25  6  o 20.100  7.6989  232.657    234.447  154.397    259.770  576.383    544.406  18.858  7.8011  27.393  11.310  -8.535616      13.73914  
1 1 1 -31 25  7  o 17.833  2.9962  181.946    55.818   650.330    290.835  164.034    56.875   30.400  8.5010  16.843  3.2354  13.55725       9.095889  
1 1 1 -31 25  8  o 32.222  7.6726  697.407    263.928  667.136    306.165  784.979    520.740  30.539  8.7849  30.331  11.508  0.2078705      14.47795  
1 1 1 -31 25  9  o 31.933  7.1291  667.177    240.334  491.472    270.362  1328.96    524.703  26.521  8.3966  40.012  11.498  -13.49129      14.23728  
1 1 1 -31 25  10 o 36.524  2.4532  740.823    96.483   1090.31    314.662  704.556    101.365  40.796  7.3935  35.540  2.6524  5.255882       7.854832  
1 1 1 -31 25  11 o 24.706  8.5131  422.811    276.150  382.872    327.166  521.766    514.977  23.841  9.1035  26.480  10.971  -2.639137      14.25645  
1 1 1 -31 26  1  f 28.895  10.003  638.262    381.500  1037.09    523.644  187.108    556.940  34.594  11.727  23.131  10.446  11.46332       15.70502  
1 1 1 -31 26  2  o 32.883  10.095  830.749    394.047  629.951    533.321  1072.15    584.758  28.107  11.347  34.290  12.339  -6.182369      16.76318  
1 1 1 -31 26  3  o 31.381  10.192  761.787    396.441  354.248    531.139  1274.43    595.705  24.698  10.716  37.480  12.509  -12.78182      16.47114  
1 1 1 -31 26  4  o 18.805  8.7675  -119.2670  437.547  -92.1593   616.220  -146.8306  621.381  21.621  10.183  21.315  10.096  0.3051128      14.33973  
1 1 1 -31 26  5  o 19.365  7.4626  208.244    221.167  20.133     242.419  1142.16    540.149  16.175  7.1234  36.262  11.902  -20.08703      13.87110  
1 1 1 -31 26  6  o 30.067  7.6560  608.476    249.990  738.520    279.631  90.785     557.924  32.995  7.9242  22.288  10.216  10.70692       12.92880  
1 1 1 -31 26  7  o 60.214  4.2947  2097.90    278.251  2046.32    316.852  2271.75    581.703  58.783  5.0249  55.636  10.022  3.146206       11.21101  
1 1 1 -31 26  8  o 52.130  5.0337  1611.85    280.680  1595.54    324.074  1660.82    561.504  50.983  5.9825  45.305  11.440  5.678036       12.91023  
1 1 1 -31 26  9  o 17.711  7.4515  111.284    243.007  84.635     277.797  198.132    501.506  17.984  7.7761  22.674  10.101  -4.689671      12.74761  
1 1 1 -31 26  10 o 35.368  7.4791  828.499    277.552  625.414    323.888  1389.89    538.500  29.195  9.1840  40.714  11.632  -11.51901      14.82052  
1 1 1 -31 27  1  o 23.395  9.3387  349.819    356.888  165.907    470.767  598.349    547.257  21.978  9.7892  27.537  11.351  -5.559315      14.98909  
1 1 1 -31 27  2  o 17.104  8.1197  -246.1039  406.416  -563.3857  604.822  15.101     548.776  18.627  9.0987  21.542  9.9663  -2.914812      13.49495  
1 1 1 -31 27  3  o 19.063  8.6047  19.278     377.328  -101.5663  505.869  170.831    566.509  20.035  9.3696  23.092  10.472  -3.057140      14.05190  
1 1 1 -31 27  4  f 15.523  7.4429  -315.6888  359.727  -726.9559  507.121  100.842    510.356  16.170  7.9833  21.851  9.9210  -5.681110      12.73418  
1 1 1 -31 27  5  o 38.562  9.6677  1097.12    403.029  985.779    565.873  1211.75    574.156  33.093  12.104  36.708  12.280  -3.615181      17.24282  
1 1 1 -31 27  6  o 37.243  6.7727  885.660    263.135  798.607    296.438  1209.11    571.409  34.166  8.1287  36.711  12.251  -2.544365      14.70262  
1 1 1 -31 27  7  o 20.476  7.7564  248.995    236.316  163.734    268.140  545.595    500.117  19.150  7.9243  26.895  10.941  -7.745026      13.50918  
1 1 1 -31 27  8  o 19.383  7.6531  199.718    237.269  326.690    269.369  -239.8170  501.177  22.501  8.3307  18.911  8.9887  3.590357       12.25547  
1 1 1 -31 27  9  o 20.035  1.8358  221.702    39.393   195.042    270.552  222.280    39.817   19.756  8.0432  20.057  1.8538  -0.3008404     8.254051  
1 1 1 -31 27  10 o 37.397  7.7820  936.596    304.949  931.378    369.515  947.738    539.982  35.582  9.4346  32.712  11.845  2.870102       15.14326  
1 1 1 -31 28  1  o 36.995  9.4308  1003.38    379.018  1310.82    502.938  599.276    576.607  40.174  11.160  27.518  11.523  12.65666       16.04066  
1 1 1 -31 28  2  o 48.982  8.2172  1620.60    420.503  1675.93    573.697  1556.36    618.150  45.120  11.657  41.568  12.621  3.551502       17.18046  
1 1 1 -31 28  3  o 31.474  10.232  773.281    399.524  605.951    538.557  978.068    595.794  27.689  11.319  32.583  12.322  -4.894299      16.73180  
1 1 1 -31 28  4  f 19.152  8.7210  -4.9697    398.051  172.977    622.649  -127.9575  517.642  23.593  10.806  19.987  9.3887  3.605726       14.31462  
1 1 1 -31 28  5  o 29.683  10.542  698.378    425.507  638.438    662.131  740.546    555.365  28.078  12.073  29.513  11.691  -1.434782      16.80557  
1 1 1 -31 28  6  o 39.522  9.7108  1151.96    412.704  1066.07    581.485  1239.15    585.842  34.172  12.304  36.960  12.405  -2.787849      17.47165  
1 1 1 -31 28  7  o 24.094  9.6245  380.083    379.314  354.070    571.947  400.508    506.804  24.903  10.955  25.051  10.661  -0.1479168     15.28591  
1 1 1 -31 28  8  o 25.150  7.9113  429.943    240.342  369.700    272.053  644.108    512.950  23.502  8.4207  28.297  11.227  -4.795626      14.03426  
1 1 1 -31 28  9  o 21.969  8.1474  306.807    257.864  454.278    299.346  -117.4367  507.724  25.409  8.8573  19.903  9.3331  5.505678       12.86694  
1 1 1 -31 29  1  o 20.150  8.5800  168.351    328.634  163.440    411.491  176.999    546.080  21.228  9.3163  22.874  10.336  -1.646313      13.91488  
1 1 1 -31 29  2  o 19.222  8.9524  -96.7538   454.226  396.808    612.773  -698.7037  676.721  25.477  11.267  19.015  9.3563  6.461311       14.64526  
1 1 1 -31 29  3  o 34.345  10.111  907.133    401.382  1151.74    541.256  608.252    598.301  36.295  11.915  27.710  11.677  8.584789       16.68269  
1 1 1 -31 29  4  o 45.235  8.6566  1412.98    408.676  1079.45    577.123  1748.44    578.791  34.440  12.273  46.399  11.560  -11.95890      16.85953  
1 1 1 -31 29  5  o 37.843  9.7653  1063.76    402.942  728.615    568.974  1400.97    570.721  29.318  11.760  40.212  12.109  -10.89396      16.88002  
1 1 1 -31 29  6  o 37.025  9.9714  1032.65    408.806  1281.32    580.385  787.792    575.918  37.869  12.333  30.130  11.915  7.739813       17.14843  
1 1 1 -31 29  7  o 29.892  10.433  702.643    415.405  538.147    699.063  792.434    516.484  27.202  12.032  30.572  11.492  -3.369852      16.63862  
1 1 1 -31 29  8  o 27.480  1.8099  415.333    53.568   391.618    603.668  415.521    53.780   25.423  11.216  27.485  1.8168  -2.061434      11.36235  
1 1 1 -31 29  9  o 22.406  10.032  171.484    501.470  0.0000     0.0000   171.484    501.470  ?       ?       22.406  10.032  0.000000       10.03240  
1 1 1 -31 30  1  o 36.636  9.0389  960.619    356.456  1088.33    455.098  757.919    573.353  36.977  10.732  29.620  11.832  7.356993       15.97438  
1 1 1 -31 30  2  o 26.962  10.018  543.033    390.201  677.510    529.690  383.463    576.997  28.707  11.403  25.192  11.044  3.514700       15.87475  
1 1 1 -31 30  3  o 39.955  9.5801  1167.03    409.219  1205.53    552.298  1120.17    609.345  37.079  12.029  34.613  12.575  2.466049       17.40207  
1 1 1 -31 30  4  o 21.153  9.2658  158.426    405.371  -24.7374   637.876  282.513    525.024  22.293  10.456  23.827  10.488  -1.534107      14.80998  
1 1 1 -31 30  5  o 23.727  9.6183  354.852    384.944  178.812    540.657  535.842    548.206  22.939  10.332  26.876  11.243  -3.936539      15.26942  
1 1 1 -31 30  6  o 53.680  2.3912  1591.19    139.026  779.285    594.313  1638.19    142.993  29.921  12.013  54.452  2.4245  -24.53157      12.25555  
1 1 1 -31 30  7  o 39.784  9.4254  1146.78    399.907  992.196    594.642  1274.43    540.356  32.882  12.337  38.644  11.815  -5.762608      17.08190  
1 1 1 -31 30  8  o 23.270  10.251  251.133    502.444  0.0000     0.0000   251.133    502.444  ?       ?       23.270  10.251  0.000000       10.25114  
1 1 1 -31 31  1  o 44.809  8.7198  1393.10    407.970  1265.65    560.259  1536.95    595.241  37.913  12.096  41.912  12.305  -3.999466      17.25484  
1 1 1 -31 31  2  o 50.251  8.1053  1692.93    426.133  1677.88    581.570  1710.38    626.187  44.998  11.791  44.169  12.517  0.8296776      17.19592  
1 1 1 -31 31  3  o 31.248  10.222  759.308    398.504  750.557    539.590  769.809    591.061  29.773  11.605  29.788  11.973  -0.1519203E-01 16.67423  
1 1 1 -31 31  4  o 25.613  9.9023  466.153    390.397  -23.1572   538.190  1009.56    567.159  21.131  9.8090  33.524  12.140  -12.39339      15.60719  
1 1 1 -31 31  5  o 30.073  10.175  699.281    394.164  549.547    554.216  852.541    560.703  27.055  11.310  31.169  11.914  -4.114058      16.42726  
1 1 1 -31 31  6  o 44.415  9.0752  1390.50    421.827  985.654    590.120  1813.49    603.203  32.859  12.298  46.854  11.872  -13.99528      17.09311  
1 1 1 -31 31  7  o 31.864  1.9306  558.881    66.315   0.0000     0.0000   558.881    66.315   ?       ?       31.864  1.9306  0.000000       1.930615  
1 1 1 -31 31  8  o 20.766  9.5524  4.2730     493.911  0.0000     0.0000   4.2730     493.911  ?       ?       20.766  9.5524  0.000000       9.552437  
1 1 1 -31 32  1  o 43.672  8.1807  1290.77    372.739  1171.17    477.361  1477.62    596.631  38.118  10.971  40.791  12.403  -2.672806      16.55841  
1 1 1 -31 32  2  o 19.701  8.7833  71.549     379.953  191.723    514.196  -72.9853   563.908  22.761  10.177  21.049  9.8592  1.712103       14.16987  
1 1 1 -31 32  3  o 27.649  10.438  586.094    427.015  528.521    534.208  687.980    710.655  26.737  11.134  28.614  12.405  -1.876900      16.66867  
1 1 1 -31 32  4  o 45.350  9.5734  1485.97    455.473  1776.37    682.573  1252.86    611.538  43.666  13.264  36.730  12.668  6.935875       18.34109  
1 1 1 -31 32  5  o 22.081  9.3166  249.098    381.619  373.820    537.223  122.059    542.193  24.917  10.794  22.422  10.198  2.495249       14.84907  
1 1 1 -31 32  6  o 25.948  11.132  455.502    560.751  0.0000     0.0000   455.502    560.751  ?       ?       25.948  11.132  0.000000       11.13213  
1 1 1 -31 32  7  o 24.869  10.767  370.437    534.101  0.0000     0.0000   370.437    534.101  ?       ?       24.869  10.767  0.000000       10.76750  
1 1 1 -31 33  1  o 36.348  9.2095  955.753    362.998  1255.08    464.060  483.879    582.662  40.214  10.530  26.256  11.307  13.95799       15.45109  
1 1 1 -31 33  2  o 37.235  9.9431  1044.45    408.554  1136.10    556.756  937.511    601.386  35.733  12.092  31.965  12.309  3.767990       17.25512  
1 1 1 -31 33  3  o 20.216  8.9209  110.427    382.096  104.247    512.451  118.164    573.402  21.903  9.9435  22.697  10.386  -0.7938461     14.37854  
1 1 1 -31 33  4  o 21.731  9.2596  223.439    383.244  387.429    523.624  34.239     562.432  24.989  10.740  21.894  10.115  3.095297       14.75323  
1 1 1 -31 33  5  o 24.847  10.831  361.245    547.795  0.0000     0.0000   361.245    547.795  ?       ?       24.847  10.831  0.000000       10.83058  
1 1 1 -31 33  6  o 18.608  8.9579  -370.3322  533.184  0.0000     0.0000   -370.3322  533.184  ?       ?       18.608  8.9579  0.000000       8.957928  
1 1 1 -31 34  1  o 20.596  8.7032  190.380    333.853  132.556    422.426  286.593    544.896  21.047  9.3291  23.993  10.617  -2.945452      14.13332  
1 1 1 -31 34  2  o 25.110  9.9028  437.754    396.834  524.007    484.498  261.951    691.705  26.590  10.787  24.834  11.380  1.756521       15.67939  
1 1 1 -31 34  3  o 20.900  9.8015  -89.9034   560.292  0.0000     0.0000   -89.9034   560.292  ?       ?       20.900  9.8015  0.000000       9.801510  
1 1 1 -31 34  4  o 30.313  12.166  813.139    609.205  0.0000     0.0000   813.139    609.205  ?       ?       30.313  12.166  0.000000       12.16576  
1 1 1 -30 0   1  o 26.367  12.859  663.642    432.770  663.642    432.770  663.642    432.770  26.367  12.859  26.367  12.859  0.000000       0.000000  
1 1 1 -30 0   2  o 16.372  10.564  100.411    435.444  100.411    435.444  100.411    435.444  16.372  10.564  16.372  10.564  0.000000       0.000000  
1 1 1 -30 0   3  o 12.441  8.4923  -148.3599  356.481  -148.3599  356.481  -148.3599  356.481  12.441  8.4923  12.441  8.4923  0.000000       0.000000  
1 1 1 -30 0   4  o 36.320  11.714  1001.86    406.960  1001.86    406.960  1001.86    406.960  36.320  11.714  36.320  11.714  -0.000000      0.000000  
1 1 1 -30 0   5  o 48.801  10.106  1573.33    471.352  1573.33    471.352  1573.33    471.352  48.801  10.106  48.801  10.106  0.000000       0.000000  
1 1 1 -30 0   6  o 23.298  12.124  520.692    398.196  520.692    398.196  520.692    398.196  23.298  12.124  23.298  12.124  0.000000       0.000000  
1 1 1 -30 0   7  o 10.695  7.5423  -344.3428  348.007  -344.3428  348.007  -344.3428  348.007  10.695  7.5423  10.695  7.5423  -0.000000      0.000000  
1 1 1 -30 0   8  o 13.014  8.8669  -139.8508  384.699  -139.8508  384.699  -139.8508  384.699  13.014  8.8669  13.014  8.8669  0.000000       0.000000  
1 1 1 -30 0   9  o 18.955  11.186  312.286    393.137  312.286    393.137  312.286    393.137  18.955  11.186  18.955  11.186  0.000000       0.000000  
1 1 1 -30 0   10 o 14.397  9.4064  35.294     360.508  35.294     360.508  35.294     360.508  14.397  9.4064  14.397  9.4064  0.000000       0.000000  
1 1 1 -30 0   11 o 60.821  7.3509  2233.68    465.464  2233.68    465.464  2233.68    465.464  60.821  7.3509  60.821  7.3509  -0.000000      0.000000  
1 1 1 -30 0   12 o 58.476  7.8700  2103.95    473.072  2103.95    473.072  2103.95    473.072  58.476  7.8700  58.476  7.8700  -0.000000      0.000000  
1 1 1 -30 0   13 o 18.476  10.606  315.632    337.900  315.632    337.900  315.632    337.900  18.476  10.606  18.476  10.606  0.000000       0.000000  
1 1 1 -30 0   14 o 12.162  8.1696  -56.0645   304.506  -56.0645   304.506  -56.0645   304.506  12.162  8.1696  12.162  8.1696  0.000000       0.000000  
1 1 1 -30 0   15 o 12.872  8.4837  8.9552     303.000  8.9552     303.000  8.9552     303.000  12.872  8.4837  12.872  8.4837  -0.000000      0.000000  
1 1 1 -30 0   16 o 27.306  11.222  656.474    328.160  656.474    328.160  656.474    328.160  27.306  11.222  27.306  11.222  -0.000000      0.000000  
1 1 1 -30 0   17 o 14.714  9.2774  132.620    313.348  132.620    313.348  132.620    313.348  14.714  9.2774  14.714  9.2774  0.000000       0.000000  
1 1 1 -30 1   1  o 25.122  8.6463  404.270    284.817  269.948    381.865  572.681    427.586  23.312  9.5305  28.777  10.522  -5.464987      14.19665  
1 1 1 -30 1   2  o 23.954  8.9452  344.464    311.896  424.974    439.704  262.932    442.482  26.342  10.413  23.980  10.070  2.361900       14.48579  
1 1 1 -30 1   3  o 19.367  8.0089  137.300    273.648  351.036    409.437  -35.2521   367.882  24.943  9.9865  18.947  8.5296  5.995153       13.13336  
1 1 1 -30 1   4  o 24.333  8.5234  370.883    277.361  752.411    354.697  -229.5736  444.974  33.086  9.4361  18.703  8.7597  14.38312       12.87530  
1 1 1 -30 1   5  o 23.312  8.4916  327.608    278.100  197.850    381.531  474.701    406.215  22.229  9.3438  26.986  10.182  -4.756935      13.81956  
1 1 1 -30 1   6  o 33.795  7.9143  739.089    284.597  813.266    400.448  663.386    404.547  33.806  10.135  30.579  10.308  3.227076       14.45559  
1 1 1 -30 1   7  o 20.426  8.2050  192.231    277.369  336.200    383.309  33.984     401.866  24.385  9.6958  20.397  9.0671  3.988516       13.27483  
1 1 1 -30 1   8  o 33.924  8.2765  757.938    301.410  424.682    459.963  1008.73    399.021  26.326  10.569  38.098  9.6571  -11.77214      14.31662  
1 1 1 -30 1   9  o 24.117  8.3376  369.202    264.987  311.243    381.138  423.431    368.669  23.837  9.6030  25.711  9.7003  -1.873472      13.64964  
1 1 1 -30 1   10 f 26.399  8.3863  461.957    269.528  436.483    368.421  491.290    395.341  25.851  9.7086  26.952  10.070  -1.101358      13.98775  
1 1 1 -30 1   11 o 17.516  7.6194  45.032     269.959  185.142    369.299  -115.7593  395.617  21.524  9.1278  18.417  8.5000  3.106779       12.47261  
1 1 1 -30 1   12 o 74.902  3.7390  3164.82    303.329  3037.71    377.194  3397.49    510.312  72.279  4.8462  74.641  6.3734  -2.361916      8.006616  
1 1 1 -30 1   13 o 24.373  7.6005  390.806    222.371  358.707    312.025  423.935    316.994  23.645  8.9233  25.029  9.0737  -1.383560      12.72625  
1 1 1 -30 1   14 o 20.212  7.6763  235.684    231.837  285.335    343.602  194.190    314.113  22.383  9.0824  20.503  8.5379  1.879812       12.46538  
1 1 1 -30 1   15 o 15.467  6.7510  25.703     213.493  22.257     301.559  29.165     302.293  17.591  7.8349  17.699  7.8662  -0.1088123     11.10241  
1 1 1 -30 1   16 o 21.664  7.6405  305.005    223.131  281.482    315.324  328.597    315.786  21.743  8.7433  22.618  8.8607  -0.8749542     12.44814  
1 1 1 -30 1   17 o 27.377  7.5197  508.961    229.815  449.114    324.233  569.381    325.786  25.007  9.1597  27.640  9.2505  -2.632647      13.01815  
1 1 1 -30 2   1  o 44.647  6.0974  1196.54    287.144  1192.68    404.241  1200.47    407.950  42.171  9.1161  42.257  9.1762  -0.8646774E-01 12.93462  
1 1 1 -30 2   2  o 44.628  6.3373  1203.20    297.716  1051.13    457.515  1314.89    392.085  38.103  10.665  45.089  8.3357  -6.985718      13.53599  
1 1 1 -30 2   3  o 45.102  5.9728  1214.59    284.595  1380.27    402.554  1049.03    402.401  46.223  8.3479  39.115  9.5755  7.108261       12.70344  
1 1 1 -30 2   4  o 83.454  4.1116  3931.70    371.646  4039.99    501.648  3799.94    553.316  83.007  5.6127  79.497  6.4826  3.510117       8.574800  
1 1 1 -30 2   5  o 67.203  4.5051  2580.91    326.017  2422.36    457.592  2744.35    464.603  63.048  6.8091  67.533  6.4294  -4.485100      9.364825  
1 1 1 -30 2   6  o 15.582  7.1280  -104.4122  269.824  -173.4397  381.857  -35.5785   381.321  17.774  8.2546  19.195  8.6586  -1.421186      11.96286  
1 1 1 -30 2   7  o 33.196  7.8756  712.956    278.898  776.779    400.562  652.902    388.555  32.996  10.186  30.442  10.100  2.554018       14.34464  
1 1 1 -30 2   8  o 38.963  6.9001  941.833    280.535  780.846    388.624  1117.00    405.380  33.142  9.9949  40.375  9.4391  -7.232399      13.74752  
1 1 1 -30 2   9  o 48.513  5.8888  1406.46    303.083  1681.36    423.677  1118.35    433.748  51.336  7.8709  39.702  10.071  11.63363       12.78203  
1 1 1 -30 2   10 o 23.443  8.5298  340.868    280.500  403.911    387.116  271.181    407.004  25.348  9.8436  23.399  9.7291  1.949255       13.84023  
1 1 1 -30 2   11 o 48.900  5.7340  1430.91    297.933  1618.24    405.901  1212.10    438.688  50.245  7.7044  41.193  9.9453  9.052292       12.58041  
1 1 1 -30 2   12 o 54.963  4.8645  1761.94    286.595  1613.06    340.271  2125.38    531.641  51.432  6.2357  55.902  9.0930  -4.469967      11.02577  
1 1 1 -30 2   13 o 28.316  7.9419  539.913    253.437  599.974    300.583  392.219    471.358  29.274  8.7816  25.145  10.464  4.129045       13.66043  
1 1 1 -30 2   14 o 26.460  7.7417  470.615    235.976  416.267    345.710  518.027    322.897  24.769  9.3818  26.937  9.2084  -2.167925      13.14583  
1 1 1 -30 2   15 o 34.744  6.5709  766.539    238.214  520.177    348.705  982.117    326.192  26.666  9.5357  37.977  8.1724  -11.31056      12.55855  
1 1 1 -30 2   16 o 25.940  7.5732  457.252    226.030  360.054    319.307  554.875    320.003  23.242  8.9639  27.413  9.1681  -4.170483      12.82204  
1 1 1 -30 2   17 o 19.142  7.5673  198.262    232.237  77.553     314.357  343.302    344.586  18.459  8.1208  23.010  9.1791  -4.550842      12.25572  
1 1 1 -30 3   1  o 47.292  5.7885  1328.61    290.309  1452.95    407.203  1200.07    413.998  47.513  8.2096  42.109  9.3234  5.404465       12.42270  
1 1 1 -30 3   2  o 53.545  5.3734  1678.29    307.425  1963.84    430.364  1380.74    439.304  56.358  7.2161  45.380  9.2515  10.97752       11.73293  
1 1 1 -30 3   3  o 29.674  8.0154  573.218    263.685  548.523    385.357  594.961    361.590  28.379  10.037  29.415  9.7423  -1.035612      13.98799  
1 1 1 -30 3   4  o 54.518  5.5007  1745.12    320.371  1909.38    426.720  1532.94    485.000  55.523  7.2705  47.364  9.7782  8.158752       12.18491  
1 1 1 -30 3   5  o 57.556  4.9555  1916.68    305.906  1570.97    421.865  2300.03    444.235  49.516  8.1496  61.440  6.7890  -11.92433      10.60692  
1 1 1 -30 3   6  o 71.814  4.1869  2926.49    324.255  3136.26    439.715  2676.45    480.070  73.065  5.5989  66.287  6.7821  6.778305       8.794621  
1 1 1 -30 3   7  o 44.569  6.3453  1202.22    297.655  1182.43    413.940  1223.41    428.324  41.709  9.3894  42.270  9.5773  -0.5609360     13.41211  
1 1 1 -30 3   8  o 19.273  7.8901  148.575    262.172  156.671    365.684  140.013    376.068  21.293  9.0584  21.232  9.1128  0.6141090E-01  12.84902  
1 1 1 -30 3   9  o 30.955  8.6726  645.849    302.397  466.495    392.983  906.215    473.489  26.600  10.020  34.610  11.128  -8.010046      14.97436  
1 1 1 -30 3   10 o 20.662  8.2255  212.311    276.176  176.774    378.585  252.733    403.774  21.658  9.2152  23.088  9.6527  -1.429989      13.34522  
1 1 1 -30 3   11 o 14.595  6.7849  -148.8212  259.007  -319.5503  350.117  57.555     384.936  15.518  7.4140  20.093  8.9059  -4.575577      11.58801  
1 1 1 -30 3   12 o 30.086  7.8377  600.066    257.958  574.730    308.181  659.358    471.458  28.750  8.9446  29.502  11.002  -0.7523174     14.17896  
1 1 1 -30 3   13 o 37.983  6.7692  910.275    268.276  863.669    320.696  1018.92    489.640  35.576  8.4485  35.517  11.306  0.5858994E-01  14.11356  
1 1 1 -30 3   14 o 33.044  7.0587  705.873    244.955  691.568    363.991  717.714    331.169  30.449  9.7535  31.564  9.1531  -1.114475      13.37572  
1 1 1 -30 3   15 o 14.343  6.4627  -40.3620   211.740  122.115    297.825  -206.4227  301.092  18.960  8.1229  14.972  7.0721  3.988581       10.77017  
1 1 1 -30 3   16 o 17.949  7.2600  152.011    218.792  250.404    307.795  51.515     311.067  21.112  8.5852  18.070  8.0076  3.042311       11.73998  
1 1 1 -30 3   17 f 45.071  5.3416  1227.68    255.685  1048.34    346.835  1441.16    378.411  38.678  8.5103  46.352  7.8155  -7.674259      11.55449  
1 1 1 -30 4   1  o 41.311  6.9233  1054.80    298.818  964.624    436.682  1134.21    409.784  36.553  10.485  40.760  9.4639  -4.207108      14.12431  
1 1 1 -30 4   2  o 56.818  4.9221  1866.36    299.916  1800.60    404.835  1946.36    446.511  54.053  7.0856  55.741  7.5934  -1.688049      10.38586  
1 1 1 -30 4   3  o 69.746  4.3167  2766.73    324.491  2841.50    451.638  2686.95    466.522  69.084  6.0985  66.726  6.5392  2.357933       8.941685  
1 1 1 -30 4   4  o 79.448  4.1246  3572.95    353.702  3127.90    466.402  4175.36    542.627  72.615  5.9834  83.915  6.0100  -11.29996      8.480659  
1 1 1 -30 4   5  o 35.862  7.2921  809.589    273.594  603.332    380.404  1030.61    393.784  29.477  9.9953  38.823  9.4532  -9.345844      13.75745  
1 1 1 -30 4   6  o 21.297  8.2861  237.658    274.715  328.244    347.915  87.661     447.697  23.915  9.3193  21.823  9.6417  2.092428       13.40943  
1 1 1 -30 4   7  o 19.287  8.0629  125.586    281.683  91.382     430.839  151.122    372.268  21.580  9.5001  21.374  9.1172  0.2055454      13.16722  
1 1 1 -30 4   8  o 29.739  8.2895  585.382    277.003  388.355    373.637  825.830    412.760  25.144  9.6968  33.811  10.324  -8.666306      14.16379  
1 1 1 -30 4   9  f 28.117  8.8691  533.699    301.861  281.895    443.446  751.132    412.070  24.053  10.090  32.146  10.386  -8.093935      14.48033  
1 1 1 -30 4   10 o 44.252  6.3032  1191.83    293.571  1010.79    411.428  1379.62    419.022  37.644  9.9428  45.417  8.8362  -7.772984      13.30183  
1 1 1 -30 4   11 o 19.785  7.6345  206.842    231.715  1.8343     285.677  601.084    396.162  17.265  7.6613  28.871  10.181  -11.60645      12.74152  
1 1 1 -30 4   12 o 29.785  7.8691  589.267    257.659  622.584    306.296  508.629    476.520  29.961  8.8356  27.087  10.798  2.874237       13.95209  
1 1 1 -30 4   13 o 45.458  5.7325  1248.41    275.968  1339.32    328.688  1031.20    508.046  46.212  6.7675  35.424  11.539  10.78742       13.37724  
1 1 1 -30 4   14 o 25.287  7.7729  429.020    233.525  328.149    336.987  522.213    323.908  23.071  9.1170  27.018  9.2229  -3.947611      12.96847  
1 1 1 -30 4   15 o 23.610  8.0789  374.486    248.542  448.569    395.488  326.130    319.522  25.263  9.9105  22.760  8.9138  2.503040       13.32941  
1 1 1 -30 4   16 o 18.393  7.6447  144.786    251.143  393.109    429.727  15.975     309.500  24.279  10.038  17.570  7.8733  6.709370       12.75728  
1 1 1 -30 4   17 o 17.965  7.4115  140.646    233.553  377.463    317.640  -138.0645  344.591  23.539  8.9743  16.588  7.7496  6.950619       11.85731  
1 1 1 -30 5   1  o 19.945  8.1707  162.744    281.387  -108.7440  412.683  398.632    384.675  19.081  8.7605  25.473  9.8347  -6.391899      13.17073  
1 1 1 -30 5   2  o 48.388  5.5891  1381.63    287.532  1386.86    385.369  1375.06    431.854  46.686  7.9031  45.413  9.0970  1.273197       12.05050  
1 1 1 -30 5   3  o 53.760  5.2351  1685.47    300.963  1200.50    389.868  2400.69    473.460  42.698  8.7250  62.453  7.1270  -19.75530      11.26583  
1 1 1 -30 5   4  o 25.699  8.3068  426.893    263.566  115.289    369.757  748.756    375.795  20.865  8.9966  32.715  9.8201  -11.84933      13.31819  
1 1 1 -30 5   5  o 50.545  5.4007  1498.79    291.088  1559.29    401.939  1432.07    422.124  49.705  7.7162  46.778  8.6503  2.927467       11.59168  
1 1 1 -30 5   6  o 55.737  4.9577  1799.24    296.165  1771.00    396.028  1835.08    446.112  53.663  6.9788  53.786  7.8926  -0.1227341     10.53550  
1 1 1 -30 5   7  o 37.926  7.2955  904.412    288.804  1032.34    401.429  767.151    415.812  38.654  9.6252  32.619  10.422  6.034355       14.18684  
1 1 1 -30 5   8  o 42.208  6.5848  1090.64    291.201  1061.93    390.382  1126.66    437.230  39.458  9.2886  39.887  10.108  -0.4293785     13.72769  
1 1 1 -30 5   9  o 33.013  8.0225  713.775    284.039  771.611    394.178  651.308    409.652  32.771  10.103  30.114  10.369  2.656540       14.47713  
1 1 1 -30 5   10 o 43.081  6.7231  1146.88    303.463  1268.98    417.895  1010.67    441.392  43.122  9.2262  37.049  10.512  6.073307       13.98697  
1 1 1 -30 5   11 o 61.841  4.5460  2204.06    302.358  2300.94    360.712  1975.16    554.454  62.447  5.3858  52.890  10.046  9.557144       11.39881  
1 1 1 -30 5   12 o 75.180  4.1124  3223.97    333.593  3224.57    396.988  3222.52    615.367  74.344  4.9586  70.105  8.2630  4.239014       9.636668  
1 1 1 -30 5   13 o 32.272  7.9475  698.161    275.956  500.737    334.992  1114.98    486.755  26.650  9.3653  37.452  11.161  -10.80219      14.57001  
1 1 1 -30 5   14 o 17.641  7.6732  62.561     273.723  185.219    339.890  -163.7903  461.723  20.720  8.7700  18.930  8.8841  1.789864       12.48361  
1 1 1 -30 5   15 o 25.926  8.0731  462.135    250.988  561.182    397.499  396.464    323.670  27.261  10.115  24.149  9.0939  3.112015       13.60157  
1 1 1 -30 5   16 f 23.709  8.0795  383.577    248.567  144.719    398.803  535.315    317.861  20.693  9.1234  26.984  9.1368  -6.290855      12.91192  
1 1 1 -30 5   17 o 16.057  7.1768  -2.0416    255.405  -194.5729  386.830  146.754    340.067  16.979  8.0188  19.853  8.5939  -2.874487      11.75398  
1 1 1 -30 6   1  o 36.862  7.2282  853.407    278.273  799.633    384.061  912.836    403.753  33.696  9.8817  35.940  10.004  -2.244022      14.06176  
1 1 1 -30 6   2  o 17.733  7.4835  82.239     246.294  -2.8498    310.528  226.553    404.405  18.003  7.9881  22.956  9.6330  -4.953032      12.51417  
1 1 1 -30 6   3  o 17.520  7.5861  41.180     265.133  -32.3242   351.343  138.403    404.073  18.593  8.3562  21.760  9.3934  -3.166374      12.57228  
1 1 1 -30 6   4  o 36.684  7.1174  840.731    272.590  636.108    381.251  1054.74    389.894  30.172  10.004  39.452  9.2798  -9.279762      13.64548  
1 1 1 -30 6   5  o 41.555  6.4412  1049.89    280.525  1508.51    385.288  532.474    409.239  49.068  7.4868  28.021  10.287  21.04731       12.72260  
1 1 1 -30 6   6  o 57.082  4.8644  1882.13    297.874  1900.42    398.479  1858.97    448.450  55.839  6.7239  54.155  7.8764  1.684090       10.35602  
1 1 1 -30 6   7  o 37.791  7.3183  899.144    288.727  937.167    397.567  856.709    419.999  36.578  9.8260  34.458  10.390  2.120529       14.30064  
1 1 1 -30 6   8  o 26.542  8.3661  463.033    268.631  591.449    366.190  313.405    395.278  29.159  9.8071  24.058  9.7486  5.101786       13.82804  
1 1 1 -30 6   9  o 17.528  7.6412  34.687     272.767  162.727    368.218  -121.0158  406.052  21.361  9.0886  18.725  8.6314  2.635841       12.53404  
1 1 1 -30 6   10 o 15.611  6.8858  -5.7139    227.406  -81.8265   275.190  158.179    403.817  15.927  7.2522  21.772  9.3946  -5.844283      11.86811  
1 1 1 -30 6   11 o 27.860  7.9029  513.736    249.487  345.853    291.952  968.226    480.364  23.510  8.6791  35.280  11.195  -11.77042      14.16489  
1 1 1 -30 6   12 o 36.782  6.8546  852.454    263.034  879.510    310.481  783.664    495.071  36.396  8.0863  31.465  11.350  4.931040       13.93573  
1 1 1 -30 6   13 o 16.796  7.3491  32.952     254.356  -18.1933   306.465  146.180    455.988  17.338  7.7971  21.942  9.7107  -4.603287      12.45360  
1 1 1 -30 6   14 o 25.194  8.7514  437.513    292.106  252.186    367.763  754.259    480.790  22.083  9.2207  30.453  11.154  -8.369719      14.47184  
1 1 1 -30 6   15 o 41.608  6.1123  1072.78    267.247  987.315    413.483  1134.09    350.231  35.818  10.179  40.853  8.2003  -5.034981      13.07101  
1 1 1 -30 6   16 o 22.824  8.0576  348.767    248.217  288.217    396.023  387.945    318.553  22.557  9.5026  23.795  9.0075  -1.238388      13.09327  
1 1 1 -30 6   17 o 22.818  8.2229  349.716    259.778  540.989    386.905  192.706    350.543  26.622  9.9587  20.654  8.8296  5.967611       13.30935  
1 1 1 -30 7   1  o 22.986  8.9811  292.791    323.778  272.143    575.406  302.358    391.667  25.455  11.098  23.901  9.6974  1.554573       14.73771  
1 1 1 -30 7   2  o 33.844  7.5691  731.165    270.509  784.877    377.285  674.342    388.059  33.480  9.7872  30.920  10.086  2.559935       14.05369  
1 1 1 -30 7   3  f 65.143  4.3325  2416.55    303.944  2375.87    393.662  2476.59    478.267  63.389  5.7979  63.467  7.0780  -0.7804108E-01 9.149536  
1 1 1 -30 7   4  o 46.871  6.2495  1323.09    309.360  958.218    437.298  1688.63    437.704  36.437  10.504  51.363  8.1393  -14.92582      13.28845  
1 1 1 -30 7   5  o 17.024  7.4056  27.604     255.013  96.621     347.190  -53.2522   375.791  20.162  8.7055  18.880  8.5487  1.281969       12.20111  
1 1 1 -30 7   6  o 50.690  5.3130  1504.20    287.357  1912.59    383.216  979.589    434.335  56.309  6.3969  36.912  10.412  19.39730       12.22030  
1 1 1 -30 7   7  o 56.774  5.0377  1871.49    306.562  1994.96    430.085  1743.96    437.089  56.791  7.1506  52.314  7.9656  4.477200       10.70429  
1 1 1 -30 7   8  o 39.610  6.9314  974.397    286.541  776.005    379.904  1236.19    436.408  33.122  9.8581  42.233  9.7395  -9.110634      13.85787  
1 1 1 -30 7   9  o 21.209  8.2964  237.108    276.536  436.160    371.240  -11.0205   414.485  25.925  9.7438  20.015  9.0280  5.909531       13.28333  
1 1 1 -30 7   10 o 29.106  7.5624  550.268    240.569  586.267    278.892  445.616    475.522  29.583  8.3431  26.472  10.705  3.110493       13.57182  
1 1 1 -30 7   11 o 28.545  7.8808  539.055    251.658  638.229    296.761  285.129    474.855  30.601  8.5978  24.149  10.299  6.451847       13.41603  
1 1 1 -30 7   12 o 30.965  7.7195  632.404    257.996  695.313    305.337  475.391    482.382  31.805  8.6396  26.583  10.770  5.221912       13.80723  
1 1 1 -30 7   13 o 47.246  5.7294  1347.85    287.193  1309.94    344.457  1434.31    520.150  45.222  7.2796  42.953  11.100  2.268780       13.27452  
1 1 1 -30 7   14 o 23.091  8.4617  346.989    276.741  496.978    341.259  58.897     472.955  26.371  9.4330  21.089  9.5657  5.281530       13.43441  
1 1 1 -30 7   15 o 17.180  7.3346  84.071     241.303  165.817    368.802  22.880     319.081  20.703  8.9556  17.957  8.0241  2.746078       12.02450  
1 1 1 -30 7   16 o 18.540  7.6012  159.151    243.776  147.700    389.842  166.504    312.386  20.612  9.0562  19.768  8.3898  0.8431339      12.34517  
1 1 1 -30 7   17 o 17.360  7.4727  84.190     254.251  109.229    378.346  63.571     343.330  19.930  8.8317  18.794  8.3664  1.135895       12.16531  
1 1 1 -30 8   1  o 34.777  7.8545  780.816    288.868  831.821    406.519  728.794    410.552  34.083  10.210  31.839  10.373  2.244347       14.55477  
1 1 1 -30 8   2  o 49.550  5.6939  1453.56    300.031  1198.02    433.769  1687.97    415.441  41.613  9.7881  51.793  7.6347  -10.18035      12.41352  
1 1 1 -30 8   3  o 44.565  5.8873  1184.69    277.215  862.594    344.927  1772.26    465.871  35.829  8.9223  52.252  8.5259  -16.42249      12.34094  
1 1 1 -30 8   4  o 61.901  4.9537  2216.01    329.339  2130.88    461.853  2304.08    469.758  58.443  7.4669  61.013  7.2505  -2.569550      10.40789  
1 1 1 -30 8   5  o 28.610  8.1867  537.146    266.532  678.981    362.167  369.567    393.667  31.230  9.6933  25.048  9.8680  6.181852       13.83248  
1 1 1 -30 8   6  o 17.503  7.4859  61.001     252.189  -125.9840  332.063  315.833    387.654  17.045  7.8379  24.102  9.6934  -7.056105      12.46573  
1 1 1 -30 8   7  o 26.430  8.5243  458.780    277.665  585.277    376.578  308.074    411.037  29.032  9.9444  24.181  9.8870  4.851084       14.02294  
1 1 1 -30 8   8  o 22.971  8.3863  318.718    271.467  310.324    358.436  330.009    415.726  23.618  9.3807  24.509  9.9733  -0.8907776     13.69176  
1 1 1 -30 8   9  o 25.163  8.5237  412.216    276.635  119.879    375.321  759.931    409.329  20.869  9.0309  32.307  10.343  -11.43865      13.73040  
1 1 1 -30 8   10 o 16.950  7.2984  50.003     242.658  -71.2880   287.647  349.365    451.901  16.391  7.4445  24.910  10.296  -8.519039      12.70529  
1 1 1 -30 8   11 o 16.803  7.2995  36.839     247.091  188.329    292.995  -336.2226  459.790  20.383  8.3423  17.893  8.5340  2.490074       11.93413  
1 1 1 -30 8   12 o 32.361  7.9416  696.403    276.278  881.038    336.110  311.766    485.120  35.834  8.7385  24.400  10.408  11.43312       13.59000  
1 1 1 -30 8   13 o 40.721  6.8472  1047.60    291.277  1118.58    355.793  903.325    507.215  40.745  8.3430  33.067  11.529  7.678291       14.23132  
1 1 1 -30 8   14 o 27.927  8.5283  545.168    281.654  748.850    345.391  140.876    486.611  32.024  9.3651  22.086  9.8864  9.938108       13.61790  
1 1 1 -30 8   15 o 46.327  6.2042  1332.37    303.490  1080.47    371.047  1841.52    527.514  39.010  8.9693  49.769  10.131  -10.75909      13.53055  
1 1 1 -30 8   16 o 22.001  8.0896  314.355    253.246  490.101    421.349  214.964    316.866  25.750  10.189  20.615  8.5791  5.135162       13.31939  
1 1 1 -30 8   17 o 18.224  7.6494  133.146    255.116  270.942    377.095  16.849     346.430  22.085  9.2867  18.283  8.2496  3.802080       12.42168  
1 1 1 -30 9   1  o 35.318  7.1762  784.212    265.145  753.736    370.285  816.280    379.841  32.799  9.7258  34.101  9.7778  -1.302105      13.79119  
1 1 1 -30 9   2  o 15.306  7.0099  -107.3378  262.018  118.369    348.422  -401.1231  397.511  20.482  8.7806  16.231  7.7932  4.251064       11.74026  
1 1 1 -30 9   3  o 20.845  7.8814  236.900    243.705  374.488    312.202  22.295     389.910  24.549  8.9888  20.034  8.9173  4.515072       12.66158  
1 1 1 -30 9   4  o 43.236  7.6425  1182.83    344.803  944.312    554.524  1333.18    440.263  34.715  12.058  44.319  9.4597  -9.603802      15.32569  
1 1 1 -30 9   5  o 58.394  4.8380  1967.70    303.228  1584.01    411.051  2425.78    449.135  49.963  7.8550  63.212  6.6603  -13.24838      10.29859  
1 1 1 -30 9   6  o 46.012  6.0239  1267.56    292.993  1018.74    368.818  1693.21    482.388  39.028  8.9198  50.393  9.1762  -11.36470      12.79708  
1 1 1 -30 9   7  o 18.912  7.8964  119.901    269.701  314.189    364.384  -115.4905  401.080  23.780  9.4540  18.738  8.6153  5.042507       12.79073  
1 1 1 -30 9   8  o 21.417  8.2307  250.313    268.509  225.263    353.385  284.528    413.007  22.128  9.1212  23.793  9.8391  -1.665203      13.41659  
1 1 1 -30 9   9  o 46.658  5.1374  1275.03    255.318  1291.40    295.028  1226.18    509.539  46.334  6.0212  40.226  11.253  6.107887       12.76301  
1 1 1 -30 9   10 o 19.626  7.6013  199.066    230.367  81.771     265.684  554.374    462.411  18.045  7.6998  28.051  10.796  -10.00683      13.26049  
1 1 1 -30 9   11 o 19.085  7.5934  172.990    235.244  279.873    272.914  -136.0032  464.029  21.913  8.3271  19.552  9.0868  2.361244       12.32522  
1 1 1 -30 9   12 o 17.771  7.5809  83.829     257.400  61.270     309.748  134.171    462.720  18.567  8.1173  22.051  9.7695  -3.483984      12.70168  
1 1 1 -30 9   13 o 21.538  8.1947  276.049    264.507  189.486    319.348  465.198    472.060  20.589  8.5942  26.126  10.629  -5.536743      13.66883  
1 1 1 -30 9   14 o 11.961  5.9148  -525.1084  282.217  -377.1539  362.945  -751.3668  448.827  15.180  7.3284  14.926  7.3949  0.2537642      10.41105  
1 1 1 -30 9   15 o 16.890  7.5495  3.6442     282.643  149.887    352.696  -258.8476  472.521  20.236  8.7558  18.239  8.6861  1.996988       12.33334  
1 1 1 -30 9   16 o 18.228  7.5274  145.286    241.251  220.846    378.033  93.369     313.357  21.438  9.1670  18.699  8.1699  2.738487       12.27931  
1 1 1 -30 9   17 o 18.862  7.6466  177.272    243.314  283.032    374.475  100.002    320.086  22.241  9.2971  18.872  8.2509  3.369680       12.43033  
1 1 1 -30 10  1  o 43.197  6.2302  1127.24    283.060  1029.07    381.539  1247.42    422.152  38.954  9.1915  42.871  9.3545  -3.917000      13.11452  
1 1 1 -30 10  2  o 25.094  8.4340  404.968    270.821  396.291    360.187  416.253    410.778  25.260  9.5742  25.934  10.121  -0.6734524     13.93175  
1 1 1 -30 10  3  o 30.386  8.1055  604.708    271.685  630.592    355.523  568.373    421.219  30.175  9.6366  28.673  10.450  1.502720       14.21470  
1 1 1 -30 10  4  o 60.824  4.8066  2132.45    314.072  2027.42    420.059  2265.60    472.961  57.549  6.8752  60.345  7.3908  -2.795162      10.09413  
1 1 1 -30 10  5  o 47.113  5.6933  1315.07    284.626  1207.59    382.749  1448.04    425.716  42.961  8.5264  46.998  8.6831  -4.036240      12.16945  
1 1 1 -30 10  6  o 18.185  7.6163  100.494    252.013  73.069     327.574  140.267    394.479  19.421  8.4206  21.587  9.3001  -2.165894      12.54586  
1 1 1 -30 10  7  o 48.847  6.1371  1434.06    317.522  1872.07    449.391  997.400    448.696  54.275  7.8745  36.943  10.637  17.33197       13.23472  
1 1 1 -30 10  8  o 55.883  5.1310  1820.92    307.096  1754.44    404.440  1911.43    471.927  53.085  7.2216  54.394  8.2710  -1.308838      10.98000  
1 1 1 -30 10  9  f 18.125  7.4948  116.757    239.637  191.572    281.574  -79.8015   456.397  20.372  8.2375  20.077  9.2160  0.2951736      12.36083  
1 1 1 -30 10  10 o 23.762  8.3182  360.320    264.151  148.928    318.377  827.261    473.183  20.195  8.5146  32.776  11.148  -12.58163      14.02734  
1 1 1 -30 10  11 o 22.365  8.0394  308.893    248.163  167.450    290.338  692.432    478.100  19.952  8.2500  30.163  11.111  -10.21091      13.83930  
1 1 1 -30 10  12 o 23.827  8.4668  369.218    274.502  456.470    336.055  194.276    475.849  25.840  9.3464  22.869  10.028  2.971109       13.70806  
1 1 1 -30 10  13 o 17.907  7.7935  62.801     282.709  81.273     356.434  31.470     464.208  19.620  8.6392  20.824  9.4575  -1.203592      12.80936  
1 1 1 -30 10  14 o 21.561  8.4120  274.668    283.720  43.143     351.371  708.444    480.950  18.930  8.4424  29.607  11.098  -10.67676      13.94400  
1 1 1 -30 10  15 o 18.238  8.0399  60.022     309.602  62.132     408.395  57.170     474.745  19.994  8.9952  20.902  9.5203  -0.9074879     13.09772  
1 1 1 -30 10  16 o 17.230  7.2617  102.790    231.428  307.371    338.459  -76.8470   317.155  22.406  9.0412  16.639  7.6542  5.766975       11.84611  
1 1 1 -30 10  17 f 19.553  7.7450  210.270    243.721  403.307    376.363  70.858     319.842  24.178  9.6093  18.468  8.1551  5.709513       12.60335  
1 1 1 -30 11  1  o 31.379  7.9729  641.969    271.520  536.026    364.804  773.549    406.556  28.038  9.7776  32.817  10.284  -4.779926      14.19019  
1 1 1 -30 11  2  o 19.628  7.9852  161.458    266.421  240.244    353.242  57.512     405.744  22.433  9.1683  20.738  9.1698  1.695650       12.96697  
1 1 1 -30 11  3  o 25.259  8.5277  410.989    276.890  425.062    379.392  394.950    405.026  25.920  9.8256  25.550  10.027  0.3701401      14.03883  
1 1 1 -30 11  4  o 15.149  6.9613  -118.8740  261.376  -58.2145   343.562  -202.2267  402.732  18.093  8.1846  17.987  8.3945  0.1059628      11.72420  
1 1 1 -30 11  5  o 41.830  6.4405  1063.75    282.432  877.927    372.803  1314.08    432.695  35.692  9.4825  44.100  9.3490  -8.408329      13.31621  
1 1 1 -30 11  6  f 52.136  5.4796  1599.08    304.799  1484.83    413.463  1735.08    451.094  47.956  8.2582  51.848  8.3138  -3.891579      11.71818  
1 1 1 -30 11  7  o 40.880  7.2814  1048.90    310.585  1269.66    437.998  825.641    440.478  42.929  9.6542  33.490  10.730  9.439629       14.43358  
1 1 1 -30 11  8  o 16.461  6.9971  56.739     217.873  100.566    261.453  -42.8542   394.127  18.354  7.7261  19.297  8.7446  -0.9428501     11.66876  
1 1 1 -30 11  9  o 35.553  6.4731  778.814    240.081  843.447    276.360  579.978    484.726  36.498  7.2466  28.617  11.042  7.880833       13.20772  
1 1 1 -30 11  10 o 27.828  1.4971  423.254    44.958   271.520    262.293  427.847    45.633   21.657  8.1794  27.977  1.5116  -6.319250      8.317860  
1 1 1 -30 11  11 o 37.546  6.3712  869.140    249.834  1042.77    287.747  337.411    503.549  40.922  6.7259  25.005  10.633  15.91696       12.58189  
1 1 1 -30 11  12 o 33.023  7.6507  716.714    268.284  596.764    319.287  1004.81    494.822  29.071  9.1142  35.354  11.377  -6.282898      14.57758  
1 1 1 -30 11  13 o 30.750  8.6037  658.189    297.817  656.873    372.143  660.533    496.666  29.718  9.8854  29.019  11.183  0.6984806      14.92589  
1 1 1 -30 11  14 o 16.895  7.5850  -11.7443   288.685  -27.7126   364.976  14.942     471.820  18.358  8.3562  20.605  9.4257  -2.246393      12.59644  
1 1 1 -30 11  15 o 23.185  8.5787  357.658    285.559  269.607    352.282  526.369    487.635  21.990  9.0898  26.496  10.794  -4.505630      14.11136  
1 1 1 -30 11  16 o 18.879  8.0653  129.764    292.134  117.367    376.333  148.561    463.405  20.064  8.8535  21.570  9.6521  -1.506149      13.09761  
1 1 1 -30 11  17 o 41.881  6.0082  1089.52    264.736  1049.07    403.029  1120.22    351.106  37.078  9.8636  40.224  8.3331  -3.145706      12.91243  
1 1 1 -30 12  1  o 31.991  7.6558  658.463    261.729  966.620    339.809  209.018    410.381  38.371  8.4086  22.743  9.6321  15.62825       12.78597  
1 1 1 -30 12  2  o 18.739  7.8286  114.546    265.302  192.635    347.616  5.6059     410.582  21.586  8.9846  20.230  9.0666  1.355433       12.76429  
1 1 1 -30 12  3  f 17.735  7.6679  47.860     270.094  252.218    366.224  -195.8575  399.939  22.814  9.3309  17.978  8.3820  4.836689       12.54281  
1 1 1 -30 12  4  o 33.760  7.4664  724.889    265.766  821.632    332.139  552.704    443.107  35.052  8.7701  28.418  10.652  6.633823       13.79801  
1 1 1 -30 12  5  o 23.740  8.6052  345.656    285.091  212.825    407.289  473.257    399.191  22.777  9.6183  26.883  10.104  -4.106272      13.94997  
1 1 1 -30 12  6  o 40.625  7.1425  1030.13    302.808  1035.26    424.886  1024.84    431.665  38.212  10.110  37.858  10.268  0.3540039      14.40934  
1 1 1 -30 12  7  o 26.329  8.6271  456.532    283.827  465.766    386.563  445.732    418.069  26.628  9.9556  26.405  10.236  0.2225571      14.27928  
1 1 1 -30 12  8  o 16.119  7.0636  8.0614     235.779  -162.0643  275.257  476.851    456.922  15.016  6.9852  27.013  10.635  -11.99703      12.72365  
1 1 1 -30 12  9  f 28.175  8.1581  526.326    263.258  475.204    314.281  646.559    481.977  26.592  9.0848  29.676  11.112  -3.083391      14.35332  
1 1 1 -30 12  10 o 28.684  7.7718  540.909    247.452  572.061    287.905  452.831    484.112  29.031  8.5677  26.511  10.772  2.519243       13.76401  
1 1 1 -30 12  11 o 16.537  7.2144  27.602     243.539  48.863     284.786  -30.2670   469.828  17.891  7.8036  20.571  9.4086  -2.679115      12.22365  
1 1 1 -30 12  12 o 42.908  6.4919  1142.03    292.272  1063.16    352.620  1315.14    522.420  39.670  8.4648  40.747  11.393  -1.076988      14.19360  
1 1 1 -30 12  13 o 43.889  6.4059  1195.88    295.542  1122.93    359.353  1348.34    519.523  40.683  8.4323  41.137  11.309  -0.4546280     14.10671  
1 1 1 -30 12  14 o 26.337  8.6030  485.153    282.321  568.654    346.034  318.909    488.254  27.809  9.5325  24.015  10.347  3.793709       14.06840  
1 1 1 -30 12  15 f 50.445  5.7684  1553.83    309.505  1664.03    376.513  1324.17    543.521  50.920  7.0129  39.212  11.819  11.70754       13.74290  
1 1 1 -30 12  16 o 48.819  6.2547  1486.99    323.122  1749.70    403.931  1020.13    538.469  51.679  7.4301  33.677  11.870  18.00191       14.00378  
1 1 1 -30 12  17 o 12.872  6.1661  -248.1989  245.589  -158.0522  401.527  -302.0795  310.425  17.589  8.2645  14.281  6.8647  3.308814       10.74367  
1 1 1 -30 13  1  o 30.274  8.5669  612.377    293.543  724.491    402.574  485.095    428.945  31.792  10.265  27.148  10.410  4.643381       14.62004  
1 1 1 -30 13  2  o 32.828  7.9248  699.387    278.570  769.463    332.481  534.312    510.297  33.734  8.9515  28.262  11.203  5.472044       14.34006  
1 1 1 -30 13  3  o 20.126  7.8384  203.421    246.018  281.195    304.024  55.884     418.736  22.550  8.7327  20.962  9.2899  1.588192       12.74999  
1 1 1 -30 13  4  o 17.304  7.4842  41.176     257.477  -33.6918   330.283  157.162    411.093  18.065  8.1116  22.079  9.5031  -4.013927      12.49432  
1 1 1 -30 13  5  o 15.056  6.8585  -89.0957   246.471  -244.1190  310.541  174.784    405.157  15.244  7.1950  22.208  9.4932  -6.964110      11.91174  
1 1 1 -30 13  6  o 27.756  8.6891  513.597    290.313  707.478    407.201  313.177    414.011  31.393  10.336  24.275  9.9238  7.118111       14.32862  
1 1 1 -30 13  7  o 23.910  7.3768  361.920    210.108  217.176    246.720  743.954    400.827  20.397  7.8758  32.176  10.228  -11.77928      12.90859  
1 1 1 -30 13  8  o 17.030  7.1350  82.492     221.292  49.148     251.921  195.148    463.058  17.226  7.4267  23.150  10.025  -5.924431      12.47592  
1 1 1 -30 13  9  o 24.064  7.7619  371.605    230.215  344.662    263.057  459.751    475.802  23.426  8.2923  26.703  10.739  -3.277021      13.56809  
1 1 1 -30 13  10 o 53.454  4.6506  1652.97    266.570  1616.21    306.335  1767.62    541.022  52.205  5.5005  49.572  10.408  2.632496       11.77194  
1 1 1 -30 13  11 o 56.623  4.6181  1855.65    280.752  1875.89    325.547  1796.91    554.603  56.276  5.4075  49.462  10.666  6.814526       11.95858  
1 1 1 -30 13  12 o 21.162  7.9926  263.271    250.458  206.913    293.525  414.171    480.302  20.559  8.3748  25.553  10.592  -4.993221      13.50300  
1 1 1 -30 13  13 o 19.214  8.0959  140.282    287.552  62.753     361.502  273.843    474.478  19.442  8.6233  23.543  10.171  -4.100573      13.33461  
1 1 1 -30 13  14 o 18.850  7.8787  144.264    268.892  178.945    325.159  69.245     478.227  20.345  8.5928  21.191  9.6145  -0.8460388     12.89475  
1 1 1 -30 13  15 o 17.103  7.5275  40.975     270.336  20.536     326.949  85.148     480.654  18.035  8.0863  21.196  9.6252  -3.160295      12.57113  
1 1 1 -30 13  16 o 28.006  2.0571  433.492    61.962   616.417    343.826  427.351    62.994   28.601  9.5013  27.792  2.1084  0.8093567      9.732450  
1 1 1 -30 13  17 o 26.224  8.1386  480.856    255.319  763.620    404.646  293.818    329.100  30.871  10.310  22.058  8.9103  8.812372       13.62649  
1 1 1 -30 14  1  o 23.583  8.4369  344.020    273.001  466.609    355.528  167.876    426.167  26.567  9.6128  22.390  9.6562  4.177469       13.62527  
1 1 1 -30 14  2  o 35.692  8.3588  838.336    317.452  799.761    401.169  902.952    519.214  33.443  10.170  34.227  11.677  -0.7833138     15.48520  
1 1 1 -30 14  3  o 23.915  8.3168  358.359    263.854  407.947    346.271  289.704    407.439  25.402  9.4372  23.880  9.8130  1.522034       13.61454  
1 1 1 -30 14  4  o 27.754  8.2978  507.062    268.707  453.142    344.110  591.315    430.146  26.309  9.4658  29.062  10.565  -2.752661      14.18488  
1 1 1 -30 14  5  o 29.543  7.9294  569.198    259.038  756.742    326.184  248.944    426.243  33.494  8.8562  23.494  9.8758  10.00026       13.26513  
1 1 1 -30 14  6  o 19.862  8.1718  158.390    282.979  -87.2782   395.039  417.309    405.552  18.885  8.6339  25.869  10.067  -6.983297      13.26229  
1 1 1 -30 14  7  o 40.950  5.7089  999.937    246.324  996.584    283.579  1010.24    497.154  40.179  6.7562  36.362  11.369  3.816780       13.22462  
1 1 1 -30 14  8  o 45.377  5.2090  1208.82    251.376  1254.05    288.151  1064.78    514.235  45.699  5.9637  37.016  11.560  8.683662       13.00811  
1 1 1 -30 14  9  o 46.124  5.0899  1246.88    250.041  1199.88    285.554  1401.37    517.708  44.547  6.0769  43.317  11.011  1.229591       12.57646  
1 1 1 -30 14  10 o 16.429  7.1483  28.626     237.711  277.683    275.116  -705.0265  472.184  21.917  8.3530  15.901  7.8224  6.015620       11.44383  
1 1 1 -30 14  11 o 41.177  6.3017  1041.37    272.108  994.828    319.797  1163.44    517.942  39.016  7.8396  38.199  11.543  0.8180046      13.95340  
1 1 1 -30 14  12 o 41.113  6.4049  1047.45    275.922  1150.00    326.663  792.117    515.461  42.257  7.4072  31.199  11.529  11.05829       13.70378  
1 1 1 -30 14  13 o 29.596  8.2848  602.451    276.081  842.411    333.310  78.004     492.753  34.640  8.8511  21.616  9.7880  13.02404       13.19654  
1 1 1 -30 14  14 o 19.694  8.1330  179.986    281.635  222.253    347.255  98.747     481.424  21.306  8.9329  21.515  9.7148  -0.2086506     13.19749  
1 1 1 -30 14  15 o 46.868  6.0096  1356.66    298.038  1379.25    358.835  1306.41    535.165  45.794  7.4939  39.020  11.720  6.774193       13.91126  
1 1 1 -30 14  16 o 54.022  5.5630  1769.90    320.847  1793.15    392.138  1722.82    558.056  52.777  7.0352  46.164  11.261  6.613075       13.27818  
1 1 1 -30 15  1  o 43.327  6.2223  1135.30    283.615  1379.67    375.275  809.831    433.096  46.621  7.7007  33.215  10.639  13.40606       13.13360  
1 1 1 -30 15  2  o 31.753  8.4006  669.099    293.382  907.846    394.466  373.549    438.891  35.920  9.8460  25.412  10.281  10.50745       14.23537  
1 1 1 -30 15  3  o 24.573  8.3523  385.201    265.629  349.068    348.854  435.053    409.765  24.267  9.3666  26.218  10.142  -1.950684      13.80584  
1 1 1 -30 15  4  o 21.087  8.1869  233.742    267.735  370.551    345.345  27.636     423.878  24.645  9.3668  20.700  9.2494  3.944981       13.16388  
1 1 1 -30 15  5  o 24.193  8.6013  367.293    283.326  399.840    381.026  327.041    423.737  25.419  9.7952  24.582  10.043  0.8370075      14.02908  
1 1 1 -30 15  6  o 22.195  7.6810  300.352    224.923  170.251    273.539  571.959    395.228  19.899  8.0927  28.677  10.163  -8.778313      12.99134  
1 1 1 -30 15  7  o 20.966  7.7659  250.101    234.141  327.088    270.757  21.804     466.250  23.134  8.3860  21.299  9.5942  1.834280       12.74254  
1 1 1 -30 15  8  o 17.129  7.2845  67.581     236.348  92.946     274.183  -5.7726    466.268  18.474  7.8510  20.964  9.5046  -2.490129      12.32783  
1 1 1 -30 15  9  o 47.714  5.2098  1339.07    264.867  1320.97    307.072  1391.66    523.499  46.621  6.2375  42.916  11.158  3.704548       12.78330  
1 1 1 -30 15  10 o 38.210  6.6335  906.804    264.570  811.557    309.844  1163.17    508.331  34.835  8.3255  38.613  11.381  -3.778400      14.10131  
1 1 1 -30 15  11 o 40.105  6.0858  981.727    256.054  1114.89    296.211  588.047    509.304  42.311  6.6858  28.298  11.200  14.01274       13.04380  
1 1 1 -30 15  12 o 34.110  7.4503  758.798    267.546  645.140    314.779  1054.59    507.805  30.236  8.9676  35.928  11.522  -5.691439      14.60014  
1 1 1 -30 15  13 o 40.927  6.5306  1048.48    279.759  1071.44    331.960  992.231    519.705  40.165  7.9122  34.272  11.683  5.893055       14.10978  
1 1 1 -30 15  14 o 21.062  8.2304  258.084    271.943  321.769    328.491  119.376    484.794  22.789  9.0027  21.749  9.7910  1.040884       13.30088  
1 1 1 -30 15  15 o 17.639  7.8217  37.441     297.278  -181.4116  378.857  388.085    479.547  16.996  7.9989  24.547  10.405  -7.551548      13.12434  
1 1 1 -30 15  16 o 5.1218  2.4351  -45.0359   36.827   368.006    319.882  -50.5841   37.074   23.433  8.9888  5.0055  2.3972  18.42699       9.302920  
1 1 1 -30 16  1  o 28.594  8.3110  541.803    272.756  782.474    357.710  207.513    421.582  33.566  9.4425  22.816  9.7166  10.75007       13.54893  
1 1 1 -30 16  2  f 38.405  7.0770  921.512    283.529  1039.06    367.631  748.964    445.412  39.430  8.8281  31.912  10.816  7.517206       13.96118  
1 1 1 -30 16  3  o 36.202  7.5736  836.042    287.422  1099.46    357.380  353.624    483.636  41.045  8.3237  25.508  10.606  15.53730       13.48208  
1 1 1 -30 16  4  o 22.716  8.4122  305.286    274.704  -99.7028   347.727  977.681    448.053  17.689  8.0919  36.548  10.660  -18.85911      13.38367  
1 1 1 -30 16  5  f 15.631  6.7380  27.605     207.292  60.563     238.886  -72.8574   417.075  17.122  7.3036  19.488  8.8946  -2.365887      11.50896  
1 1 1 -30 16  6  o 25.804  7.4886  427.276    221.599  421.406    251.303  447.797    469.865  25.488  8.0979  26.694  10.694  -1.206327      13.41448  
1 1 1 -30 16  7  o 24.626  7.8410  389.893    235.510  440.891    271.980  237.062    470.832  25.905  8.4431  23.768  10.199  2.136747       13.24011  
1 1 1 -30 16  8  o 22.169  7.8572  299.582    236.243  313.866    272.478  256.336    474.120  22.781  8.3889  23.971  10.259  -1.189690      13.25192  
1 1 1 -30 16  9  o 21.001  7.8881  251.386    243.226  381.760    283.322  -113.9359  474.266  24.334  8.6066  19.994  9.2552  4.339897       12.63854  
1 1 1 -30 16  10 o 19.223  7.5813  181.540    232.587  316.344    265.832  -258.5592  480.320  22.669  8.2953  18.862  8.9165  3.807098       12.17854  
1 1 1 -30 16  11 o 18.090  7.5189  119.340    242.953  348.126    281.228  -553.7715  482.377  23.383  8.5358  16.850  8.2074  6.532524       11.84155  
1 1 1 -30 16  12 o 34.267  7.4471  765.936    268.505  851.946    315.789  541.496    510.121  35.409  8.3669  27.358  11.079  8.050297       13.88309  
1 1 1 -30 16  13 o 51.703  5.1248  1584.26    283.211  1436.42    329.627  2001.12    553.513  48.002  6.5079  52.331  10.132  -4.329254      12.04174  
1 1 1 -30 16  14 o 29.341  9.0223  622.688    314.597  458.786    401.960  881.816    505.415  25.487  9.9934  32.172  11.483  -6.685236      15.22240  
1 1 1 -30 16  15 o 31.679  8.3010  701.197    288.258  715.536    351.022  671.502    505.143  30.813  9.5395  28.498  11.194  2.315430       14.70723  
1 1 1 -30 16  16 o 28.214  8.6556  571.463    289.737  664.653    353.682  381.319    505.207  29.554  9.6279  24.541  10.548  5.012728       14.28160  
1 1 1 -30 17  1  o 42.973  6.5886  1131.28    296.880  1147.06    403.906  1112.73    437.850  41.008  9.3068  39.521  10.170  1.486916       13.78549  
1 1 1 -30 17  2  o 60.169  4.7867  2089.30    309.371  2342.35    404.071  1730.82    480.931  62.631  6.0311  50.983  9.0404  11.64846       10.86755  
1 1 1 -30 17  3  f 71.182  4.3023  2885.77    330.139  2923.45    436.938  2835.65    503.981  70.274  5.7922  67.977  6.9426  2.297195       9.041507  
1 1 1 -30 17  4  o 62.346  5.1611  2263.54    345.375  2205.80    435.131  2361.85    567.797  60.036  6.8123  59.672  9.0708  0.3633728      11.34405  
1 1 1 -30 17  5  o 17.192  7.1878  85.819     223.888  71.498     253.910  135.862    474.650  17.688  7.5370  22.696  9.9819  -5.007410      12.50775  
1 1 1 -30 17  6  o 22.851  7.6481  325.754    222.695  373.748    253.488  163.434    466.177  24.209  8.1595  22.855  9.9759  1.353323       12.88785  
1 1 1 -30 17  7  o 18.376  7.2169  158.302    209.944  157.952    235.466  159.660    463.655  18.880  7.5683  22.729  9.9342  -3.849436      12.48865  
1 1 1 -30 17  8  o 18.089  7.2755  139.165    218.391  240.726    246.450  -232.2178  471.277  20.831  7.9138  18.997  8.9347  1.834190       11.93556  
1 1 1 -30 17  9  o 22.889  7.9676  328.835    242.190  267.343    280.985  506.542    477.671  21.783  8.4067  27.302  10.834  -5.519054      13.71285  
1 1 1 -30 17  10 o 27.864  7.5656  508.252    234.205  637.907    266.821  73.053     488.842  31.036  7.9133  21.889  9.8451  9.146902       12.63117  
1 1 1 -30 17  11 o 29.754  7.3018  575.943    233.559  609.157    301.551  526.146    369.237  29.598  8.7769  27.214  9.8038  2.384169       13.15862  
1 1 1 -30 17  12 o 23.300  8.0542  353.945    247.276  459.578    285.321  35.179     495.643  25.879  8.6570  21.338  9.7223  4.541063       13.01793  
1 1 1 -30 17  13 o 31.692  7.6732  670.104    260.578  609.247    303.741  839.747    507.131  29.297  8.8364  31.683  11.478  -2.386368      14.48552  
1 1 1 -30 17  14 f 53.403  5.4519  1715.42    310.920  1606.77    373.906  1958.93    559.753  50.033  7.0988  50.935  10.496  -0.9013786     12.67080  
1 1 1 -30 17  15 f 22.451  8.7034  320.371    302.224  326.142    382.900  310.834    492.218  23.102  9.5054  23.706  10.300  -0.6032677     14.01600  
1 1 1 -30 17  16 o 14.064  6.6160  -171.9636  258.607  52.970     306.309  -730.1829  482.543  18.012  7.9658  15.580  7.7096  2.432380       11.08568  
1 1 1 -30 18  1  o 23.757  8.3767  354.211    268.184  418.159    350.115  263.418    417.179  25.519  9.4877  23.500  9.8171  2.019598       13.65258  
1 1 1 -30 18  2  o 40.341  7.1120  1016.92    299.391  1416.92    397.030  489.654    455.841  46.881  8.1128  27.265  10.655  19.61644       13.39240  
1 1 1 -30 18  3  o 49.458  5.6085  1447.53    295.124  1490.78    386.034  1386.70    457.825  48.601  7.5809  44.858  9.7050  3.742580       12.31493  
1 1 1 -30 18  4  o 47.609  4.7093  1309.36    239.653  1330.72    279.138  1249.47    467.406  47.452  5.5352  41.803  10.373  5.648666       11.75714  
1 1 1 -30 18  5  o 43.062  5.4445  1095.70    248.266  1140.72    278.633  922.300    546.866  43.522  6.0767  34.178  11.968  9.343269       13.42270  
1 1 1 -30 18  6  o 16.536  6.8889  79.575     204.612  162.645    228.464  -257.0996  459.940  18.853  7.4889  18.652  8.7891  0.2013988      11.54693  
1 1 1 -30 18  7  o 21.359  7.4938  274.364    214.446  265.865    240.601  307.206    472.945  21.384  7.8817  24.636  10.382  -3.252039      13.03464  
1 1 1 -30 18  8  o 14.148  6.4998  -105.8851  227.687  -20.4044   260.797  -379.8740  466.913  16.336  7.2804  17.789  8.5160  -1.452885      11.20390  
1 1 1 -30 18  9  o 30.296  7.4558  594.694    242.994  667.685    278.986  365.286    494.597  31.702  8.0963  25.395  10.655  6.306841       13.38185  
1 1 1 -30 18  10 o 37.314  6.9618  878.608    271.011  825.699    320.273  1012.02    508.569  34.897  8.5424  35.550  11.543  -0.6527138     14.36041  
1 1 1 -30 18  11 o 86.990  3.8399  4284.92    361.794  4426.66    426.228  3919.54    684.346  87.606  4.5072  77.029  8.3355  10.57664       9.476061  
1 1 1 -30 18  12 o 86.223  3.8964  4222.17    363.877  4438.01    428.825  3667.09    687.701  87.588  4.5358  73.489  8.8158  14.09836       9.914197  
1 1 1 -30 18  13 o 20.815  8.3141  236.553    283.039  259.871    345.817  189.236    492.618  21.951  9.0327  22.658  10.057  -0.7072163     13.51802  
1 1 1 -30 18  14 o 16.239  7.2476  -3.2451    259.449  -64.7927   307.276  149.605    484.235  16.623  7.6052  21.978  9.8483  -5.354485      12.44298  
1 1 1 -30 18  15 o 22.421  8.2127  328.115    260.657  364.830    305.750  230.449    498.676  23.379  8.8307  22.887  10.141  0.4919624      13.44677  
1 1 1 -30 18  16 o 22.286  8.6440  315.454    298.240  258.047    372.694  417.673    497.321  21.933  9.2280  24.946  10.586  -3.013296      14.04385  
1 1 1 -30 19  1  o 38.010  7.5164  920.919    298.479  1122.90    394.001  648.887    457.251  40.627  9.1712  29.863  10.887  10.76414       14.23490  
1 1 1 -30 19  2  o 39.667  6.8422  975.394    283.345  965.320    360.887  991.583    457.508  37.796  8.9533  36.563  10.803  1.233166       14.03094  
1 1 1 -30 19  3  o 31.421  8.0273  647.274    274.181  357.385    354.448  1079.16    432.635  24.405  9.4353  38.904  10.158  -14.49886      13.86379  
1 1 1 -30 19  4  o 20.395  7.5921  231.505    224.320  278.859    250.016  36.008     507.997  21.835  8.0364  22.111  9.9819  -0.2758274     12.81492  
1 1 1 -30 19  5  o 12.708  5.9776  -176.6540  210.999  -184.6115  232.670  -139.8072  500.669  13.391  6.2916  20.383  9.4614  -6.991941      11.36230  
1 1 1 -30 19  6  o 34.410  6.0945  720.130    218.827  761.313    244.518  554.459    490.423  35.027  6.6891  28.291  11.053  6.736696       12.91985  
1 1 1 -30 19  7  o 18.985  7.3122  183.396    212.252  263.123    237.710  -130.1490  471.407  21.265  7.8348  19.867  9.2072  1.398613       12.08952  
1 1 1 -30 19  8  o 16.274  7.0624  29.330     230.828  125.598    264.822  -275.0924  470.926  18.787  7.8328  18.627  8.8127  0.1603127      11.79048  
1 1 1 -30 19  9  o 15.085  6.7666  -40.8959   229.221  32.027     261.974  -279.0522  473.432  17.119  7.4752  18.598  8.8097  -1.478518      11.55378  
1 1 1 -30 19  10 o 28.408  8.3408  546.770    273.482  384.845    328.740  910.696    492.837  24.434  9.1719  33.818  11.377  -9.384396      14.61395  
1 1 1 -30 19  11 o 20.435  7.8277  234.644    242.366  391.324    279.217  -244.1870  488.118  24.314  8.5499  18.949  8.9671  5.365543       12.38988  
1 1 1 -30 19  12 o 38.072  6.8353  918.864    271.502  848.691    317.255  1110.89    524.811  35.215  8.4299  36.481  11.714  -1.266117      14.43217  
1 1 1 -30 19  13 f 51.692  5.0752  1583.01    280.487  1553.86    325.247  1667.59    554.037  50.291  6.0956  45.994  11.221  4.297161       12.76995  
1 1 1 -30 19  14 o 49.432  5.4172  1471.50    285.285  1401.04    333.294  1664.60    551.756  46.993  6.7413  45.574  11.247  1.418678       13.11221  
1 1 1 -30 19  15 f 16.403  7.2577  18.347     254.572  217.589    298.380  -514.7072  488.050  20.502  8.4081  16.855  8.2200  3.646839       11.75855  
1 1 1 -30 19  16 o 16.063  7.3401  -61.0167   285.093  -117.9664  352.818  46.125     483.931  17.012  7.9121  20.821  9.5325  -3.808495      12.38830  
1 1 1 -30 20  1  o 16.948  7.4603  9.6589     265.623  18.293     333.193  -5.3959    439.985  18.693  8.2854  20.521  9.2747  -1.828833      12.43656  
1 1 1 -30 20  2  o 35.514  7.5843  808.771    282.863  990.692    352.922  481.988    473.006  38.524  8.6679  27.141  10.777  11.38288       13.83042  
1 1 1 -30 20  3  o 29.325  7.0540  545.122    221.317  589.407    258.070  422.005    430.294  30.049  7.8450  26.006  10.294  4.042624       12.94268  
1 1 1 -30 20  4  o 48.164  4.8505  1346.09    249.590  1221.60    279.054  1844.00    558.067  45.208  5.8353  50.966  10.460  -5.758041      11.97776  
1 1 1 -30 20  5  o 28.924  6.7493  524.961    207.581  560.023    225.706  332.586    528.688  29.691  7.1122  25.513  10.874  4.177706       12.99297  
1 1 1 -30 20  6  f 32.600  6.3752  654.873    217.036  619.237    242.108  800.699    489.755  31.112  7.3089  32.352  11.326  -1.239809      13.47984  
1 1 1 -30 20  7  o 19.646  7.4288  208.525    216.533  221.473    243.574  159.729    472.840  20.345  7.8339  22.748  9.9850  -2.403797      12.69131  
1 1 1 -30 20  8  o 47.594  5.0288  1325.40    255.306  1188.49    291.174  1780.70    530.973  44.177  6.2606  50.186  10.118  -6.008804      11.89800  
1 1 1 -30 20  9  o 38.157  6.5233  901.275    259.909  849.433    301.435  1051.52    513.149  35.952  7.9519  36.333  11.575  -0.3803062     14.04301  
1 1 1 -30 20  10 o 13.032  6.1967  -227.7634  238.645  -334.8294  277.899  72.963     465.743  13.304  6.4202  21.453  9.6327  -8.149343      11.57615  
1 1 1 -30 20  11 o 26.135  8.1374  460.359    255.007  523.980    297.371  283.560    495.721  27.451  8.8182  24.024  10.388  3.426905       13.62578  
1 1 1 -30 20  12 o 33.228  7.5309  726.989    264.773  642.751    309.154  958.835    512.885  30.147  8.8728  33.857  11.605  -3.710064      14.60861  
1 1 1 -30 20  13 o 13.658  2.3165  105.535    33.042   9.0541     298.173  106.734    33.247   17.396  7.7664  13.737  2.3170  3.659525       8.104702  
1 1 1 -30 20  14 o 13.472  6.3254  -161.0903  234.459  -186.4902  268.134  -78.5910   483.238  14.229  6.7067  19.809  9.2283  -5.579638      11.40794  
1 1 1 -30 20  15 o 15.642  7.1322  -60.5533   267.318  -25.2250   321.521  -139.6493  481.090  17.376  7.8837  19.253  9.0462  -1.876398      11.99940  
1 1 1 -30 20  16 o 17.665  7.7759  52.869     288.578  126.075    356.485  -86.3034   491.526  19.904  8.7047  19.803  9.2530  0.1003838      12.70396  
1 1 1 -30 21  1  f 70.561  4.4900  2854.65    341.366  2884.37    425.015  2800.62    573.021  69.800  5.6709  65.857  8.2118  3.943008       9.979655  
1 1 1 -30 21  2  o 41.730  5.3368  1028.07    235.688  922.140    270.222  1364.87    481.832  38.609  6.7052  43.661  10.347  -5.051785      12.32982  
1 1 1 -30 21  3  o 25.348  7.5782  413.825    224.125  335.587    250.023  733.883    505.688  23.194  8.0942  31.158  11.435  -7.964334      14.00998  
1 1 1 -30 21  4  o 21.319  7.5169  271.946    215.959  257.569    238.027  338.872    513.564  21.171  7.8325  25.444  10.776  -4.273535      13.32146  
1 1 1 -30 21  5  o 27.025  7.6412  474.108    233.628  501.613    260.576  361.376    527.529  27.550  8.1564  25.809  10.925  1.741135       13.63389  
1 1 1 -30 21  6  o 86.702  3.5385  4211.88    332.288  4322.51    382.332  3870.34    671.796  87.391  4.0393  77.571  8.1161  9.820313       9.065701  
1 1 1 -30 21  7  o 68.542  3.7719  2652.49    278.936  2683.70    315.942  2542.18    593.970  68.549  4.2767  61.384  9.2188  7.165630       10.16247  
1 1 1 -30 21  8  o 18.328  7.4227  141.514    229.017  252.331    261.263  -226.1323  475.870  21.226  8.1279  19.073  8.9731  2.152243       12.10703  
1 1 1 -30 21  9  o 29.418  7.7649  570.713    251.031  731.878    290.803  99.425     497.287  33.112  8.1609  22.270  9.9796  10.84274       12.89157  
1 1 1 -30 21  10 o 19.579  7.5847  203.561    229.394  273.781    260.594  -38.1449   483.480  21.546  8.1491  20.611  9.4701  0.9350510      12.49366  
1 1 1 -30 21  11 o 26.258  8.1115  465.456    253.952  219.921    294.092  1185.27    503.543  20.785  8.4136  38.526  11.320  -17.74017      14.10399  
1 1 1 -30 21  12 o 33.691  7.3084  740.138    259.019  714.126    299.789  816.741    514.457  32.109  8.4905  31.331  11.529  0.7781868      14.31765  
1 1 1 -30 21  13 o 49.644  5.9198  1506.53    312.025  1815.18    378.176  848.378    552.241  53.788  6.6318  31.251  11.853  22.53742       13.58173  
1 1 1 -30 21  14 o 48.608  5.5809  1432.05    288.494  1302.30    338.531  1776.23    551.373  44.820  7.2187  47.681  10.912  -2.861263      13.08396  
1 1 1 -30 21  15 o 19.184  7.9570  165.825    271.286  154.596    323.194  192.604    499.122  19.825  8.4767  22.502  10.047  -2.677639      13.14522  
1 1 1 -30 22  1  o 40.658  6.5948  1019.09    280.468  1046.55    358.946  976.044    449.414  39.577  8.6179  36.163  10.713  3.414318       13.74887  
1 1 1 -30 22  2  o 18.724  7.3792  165.416    220.213  253.751    233.608  -539.2322  659.792  21.003  7.7616  20.288  9.8154  0.7149868      12.51337  
1 1 1 -30 22  3  o 23.676  8.1314  355.162    251.839  403.484    274.171  94.274     637.054  24.929  8.4854  24.211  11.028  0.7172050      13.91471  
1 1 1 -30 22  4  o 45.170  5.1047  1195.04    245.358  1232.57    274.181  1044.14    549.743  45.480  5.6906  36.062  12.016  9.418068       13.29525  
1 1 1 -30 22  5  o 35.342  6.7089  776.971    247.418  732.231    277.903  947.990    543.333  33.541  7.7976  34.399  11.936  -0.8578300     14.25746  
1 1 1 -30 22  6  o 13.104  6.1512  -173.1913  221.568  -136.8511  253.138  -292.2358  458.160  14.587  6.7558  18.262  8.6553  -3.674711      10.97973  
1 1 1 -30 22  7  o 16.282  6.9959  43.916     222.061  25.713     251.903  107.379    470.354  16.789  7.3306  22.110  9.8199  -5.320583      12.25436  
1 1 1 -30 22  8  o 20.545  7.7942  235.267    238.849  372.455    275.117  -184.5966  481.297  24.052  8.4839  19.484  9.1205  4.568668       12.45631  
1 1 1 -30 22  9  o 42.503  5.7176  1086.17    256.534  1163.36    294.680  844.589    521.327  43.440  6.4597  32.372  11.651  11.06817       13.32156  
1 1 1 -30 22  10 o 35.942  6.4632  804.360    242.354  871.089    275.160  573.508    511.794  36.927  7.1381  27.963  11.176  8.963137       13.26117  
1 1 1 -30 22  11 o 16.927  7.3403  49.438     248.983  -14.5445   289.995  228.879    485.646  16.996  7.6182  23.224  10.158  -6.228460      12.69759  
1 1 1 -30 22  12 o 31.053  1.8791  530.145    62.904   540.709    319.388  529.719    64.160   27.494  9.1586  31.030  1.9184  -3.536200      9.357337  
1 1 1 -30 22  13 o 31.267  1.4859  533.452    50.322   278.293    287.951  541.490    51.109   21.627  8.4643  31.500  1.4980  -9.872623      8.595829  
1 1 1 -30 22  14 f 22.011  8.2037  308.449    262.074  22.204     307.431  1069.57    501.307  17.693  7.8934  35.507  11.454  -17.81371      13.91044  
1 1 1 -30 22  15 o 18.742  7.9990  124.312    286.836  79.187     354.197  210.293    488.916  19.288  8.5462  22.580  10.021  -3.292034      13.17040  
1 1 1 -30 23  1  o 19.127  7.2273  195.385    204.851  206.323    230.374  154.061    447.771  19.790  7.6192  22.315  9.7576  -2.524851      12.37992  
1 1 1 -30 23  2  o 34.468  6.6019  737.560    237.491  843.564    261.295  233.996    569.502  36.773  6.8112  24.681  10.891  12.09191       12.84565  
1 1 1 -30 23  3  o 25.093  7.6387  407.144    226.216  416.448    248.914  362.997    542.207  25.260  8.0629  25.867  11.018  -0.6069317     13.65290  
1 1 1 -30 23  4  o 18.449  7.4057  148.620    225.791  95.889     251.581  366.973    511.950  17.985  7.5752  25.670  10.809  -7.685022      13.19897  
1 1 1 -30 23  5  o 18.577  7.2457  168.099    210.458  92.320     230.332  551.242    517.916  17.406  7.2851  28.155  11.246  -10.74900      13.39974  
1 1 1 -30 23  6  o 17.929  7.3165  125.726    224.537  21.303     255.869  475.487    468.280  16.833  7.3677  26.859  10.705  -10.02685      12.99541  
1 1 1 -30 23  7  o 16.000  6.9817  18.201     228.181  50.135     261.028  -85.2737   469.864  17.401  7.5307  20.161  9.2900  -2.760057      11.95894  
1 1 1 -30 23  8  o 36.787  6.4010  835.255    245.776  693.710    280.137  1308.40    512.176  32.328  8.0354  41.344  11.172  -9.015690      13.76190  
1 1 1 -30 23  9  o 27.136  7.7825  488.241    240.607  513.911    274.826  403.987    497.904  27.489  8.4294  25.680  10.726  1.808464       13.64213  
1 1 1 -30 23  10 o 33.704  7.3033  734.872    258.909  790.905    300.374  572.904    510.684  34.280  8.2003  27.917  11.162  6.362251       13.85029  
1 1 1 -30 23  11 o 34.811  7.9916  811.222    294.947  770.285    359.248  895.884    516.626  32.478  9.5664  32.803  11.620  -0.3246841     15.05113  
1 1 1 -30 23  12 o 38.212  6.7376  924.744    268.660  947.781    312.736  859.856    524.862  37.682  7.9144  31.865  11.657  5.817001       14.08958  
1 1 1 -30 23  13 o 56.087  4.7542  1846.61    286.090  1849.95    330.255  1836.56    572.663  55.344  5.5859  48.266  11.175  7.078201       12.49320  
1 1 1 -30 23  14 o 41.363  6.6420  1083.49    287.497  1068.68    339.982  1120.66    538.606  39.625  8.1923  35.743  11.893  3.881592       14.44129  
1 1 1 -30 23  15 o 15.817  7.4332  -178.4170  325.047  -178.4170  325.047  0.0000     0.0000   15.817  7.4332  ?       ?       0.000000       7.433202  
1 1 1 -30 24  1  o 38.094  5.8670  875.961    234.300  961.271    257.775  470.551    561.937  39.712  6.1953  27.181  11.378  12.53072       12.95507  
1 1 1 -30 24  2  o 20.358  7.5609  234.549    222.235  180.701    243.154  507.735    547.675  19.444  7.7252  27.622  11.367  -8.178020      13.74363  
1 1 1 -30 24  3  o 36.153  6.7625  814.925    255.071  959.803    286.796  266.610    557.941  39.107  7.0293  24.886  10.887  14.22089       12.95885  
1 1 1 -30 24  4  o 34.894  6.3804  749.688    232.257  640.531    257.887  1218.42    534.395  31.385  7.6549  39.390  11.685  -8.004940      13.96897  
1 1 1 -30 24  5  o 15.762  6.8708  16.332     220.492  -25.3178   244.318  199.173    511.899  15.802  7.0443  23.673  10.390  -7.870244      12.55278  
1 1 1 -30 24  6  o 17.184  7.2734  76.667     233.786  -6.6035    269.534  329.617    469.769  16.764  7.4401  24.765  10.387  -8.001169      12.77656  
1 1 1 -30 24  7  f 25.977  7.9534  444.728    244.769  581.930    282.082  26.582     492.447  29.343  8.4298  21.543  9.7674  7.799654       12.90211  
1 1 1 -30 24  8  o 23.243  8.0679  344.832    248.241  533.543    287.769  -204.0364  490.771  27.948  8.6349  19.438  9.1345  8.509544       12.56980  
1 1 1 -30 24  9  o 39.188  6.3171  946.942    259.013  900.729    297.887  1090.16    524.394  37.178  7.6528  36.550  11.707  0.6281662      13.98629  
1 1 1 -30 24  10 f 18.718  7.6087  155.527    241.631  164.712    277.900  127.064    489.179  19.547  8.0760  22.221  9.9320  -2.674019      12.80109  
1 1 1 -30 24  11 o 12.573  2.4593  90.141     32.291   -107.4080  308.581  92.328     32.469   16.302  7.5179  12.732  2.4434  3.570493       7.904967  
1 1 1 -30 24  12 o 13.118  6.2417  -224.3312  242.841  -358.0088  281.207  167.752    481.600  13.121  6.3622  22.311  9.9217  -9.190696      11.78638  
1 1 1 -30 24  13 o 9.4093  3.1165  47.582     37.003   269.981    340.040  44.917     37.224   21.941  8.9844  9.2366  3.1267  12.70445       9.512937  
1 1 1 -30 24  14 o 25.249  8.7389  446.348    291.146  453.214    353.305  431.818    513.939  25.287  9.5052  25.393  10.768  -0.1062737     14.36323  
1 1 1 -30 24  15 o 39.281  8.3377  1061.66    343.756  1061.66    343.756  0.0000     0.0000   39.281  8.3377  ?       ?       0.000000       8.337729  
1 1 1 -30 25  1  o 17.754  7.1556  131.929    211.733  57.597     230.421  535.227    536.720  16.742  7.1580  27.878  11.337  -11.13627      13.40743  
1 1 1 -30 25  2  o 34.243  6.8433  735.756    244.930  695.735    271.308  912.060    569.446  32.632  7.7851  33.426  12.155  -0.7937660     14.43415  
1 1 1 -30 25  3  o 36.508  6.1475  812.869    234.449  892.483    258.639  445.993    555.211  38.041  6.5114  26.888  11.285  11.15279       13.02911  
1 1 1 -30 25  4  o 20.418  7.4957  239.285    217.299  280.773    239.950  50.136     512.345  21.689  7.8896  22.139  10.007  -0.4502945     12.74300  
1 1 1 -30 25  5  o 36.520  6.3357  819.141    241.521  778.195    269.314  987.369    545.886  34.875  7.3610  34.901  11.972  -0.2666855E-01 14.05436  
1 1 1 -30 25  6  o 33.772  6.8439  717.184    241.767  850.404    276.027  278.227    501.047  36.576  7.2239  24.372  10.491  12.20352       12.73747  
1 1 1 -30 25  7  o 51.600  5.0063  1557.88    276.275  1573.56    321.251  1513.35    541.398  51.138  5.9088  44.616  11.216  6.521965       12.67709  
1 1 1 -30 25  8  o 47.038  5.3989  1314.95    270.072  1297.03    312.298  1368.12    537.852  45.871  6.4652  41.660  11.529  4.211178       13.21809  
1 1 1 -30 25  9  o 46.575  5.5404  1297.33    274.005  1328.14    318.162  1208.88    539.117  46.329  6.5210  38.444  11.809  7.884476       13.48993  
1 1 1 -30 25  10 o 36.068  6.7774  822.352    255.040  994.981    293.148  284.829    517.282  39.474  7.1183  24.189  10.535  15.28579       12.71409  
1 1 1 -30 25  11 o 46.053  6.0459  1298.62    294.283  1640.03    350.128  477.024    543.146  51.445  6.4237  26.442  11.133  25.00292       12.85365  
1 1 1 -30 25  12 o 37.796  6.9706  915.829    274.846  995.717    321.506  698.952    529.729  38.556  7.9626  29.216  11.467  9.339668       13.96054  
1 1 1 -30 25  13 o 39.672  7.0528  1014.67    291.945  985.189    347.828  1084.97    537.048  37.473  8.7318  35.200  11.877  2.272598       14.74094  
1 1 1 -30 25  14 o 24.527  8.6206  414.858    283.840  352.354    341.516  554.473    510.414  23.363  9.1953  26.975  11.022  -3.612322      14.35415  
1 1 1 -30 26  1  o 36.902  5.9461  826.210    229.582  867.915    251.186  614.579    565.842  37.526  6.4103  28.945  11.687  8.581017       13.32919  
1 1 1 -30 26  2  o 28.168  7.4384  514.825    230.299  555.797    252.608  313.111    560.490  29.041  7.8456  25.325  10.998  3.715538       13.50930  
1 1 1 -30 26  3  o 12.238  5.8062  -202.3169  207.269  -159.4715  226.152  -427.2279  518.146  13.413  6.2701  18.457  8.8714  -5.044425      10.86350  
1 1 1 -30 26  4  o 17.902  7.2441  132.252    217.944  112.897    241.180  218.432    508.916  18.030  7.4925  23.796  10.404  -5.765987      12.82102  
1 1 1 -30 26  5  o 15.165  6.6456  3.6114     208.715  60.506     228.008  -290.5382  518.441  16.727  7.1351  19.368  9.1876  -2.641825      11.63274  
1 1 1 -30 26  6  o 18.396  7.3202  155.424    218.643  174.823    246.300  83.305     474.901  19.331  7.7435  21.837  9.7715  -2.506355      12.46772  
1 1 1 -30 26  7  o 23.206  7.8996  344.601    237.620  438.653    272.556  46.649     485.114  25.614  8.4571  21.544  9.7376  4.070745       12.89738  
1 1 1 -30 26  8  o 15.468  6.9360  -34.5801   240.611  -39.1731   278.545  -21.0783   477.581  16.458  7.4142  20.709  9.4772  -4.251865      12.03273  
1 1 1 -30 26  9  o 19.460  7.6922  191.624    239.955  152.440    274.729  317.678    492.757  19.293  8.0053  24.445  10.460  -5.152035      13.17174  
1 1 1 -30 26  10 o 13.438  6.2602  -138.7320  222.340  -195.8598  250.702  71.769     481.239  13.715  6.4708  21.498  9.7093  -7.782177      11.66800  
1 1 1 -30 26  11 o 28.793  7.8760  559.718    252.716  562.344    290.441  551.533    512.758  28.330  8.6620  27.303  11.089  1.026358       14.07142  
1 1 1 -30 26  12 o 32.077  8.0733  702.513    280.278  418.384    331.582  1413.54    524.537  24.687  9.2224  41.870  11.303  -17.18271      14.58797  
1 1 1 -30 26  13 o 22.929  1.5588  288.403    38.482   104.028    331.691  290.919    38.744   19.309  8.4219  23.029  1.5626  -3.719566      8.565587  
1 1 1 -30 26  14 o 19.302  8.3889  112.269    326.632  112.269    326.632  0.0000     0.0000   19.302  8.3889  ?       ?       0.000000       8.388857  
1 1 1 -30 27  1  o 13.810  6.2803  -73.7200   205.561  -102.3078  222.793  89.929     533.050  13.999  6.4306  22.670  10.230  -8.670988      12.08369  
1 1 1 -30 27  2  o 17.891  7.2963  127.387    223.121  129.020    244.770  119.364    542.629  18.390  7.5871  23.106  10.384  -4.716133      12.86083  
1 1 1 -30 27  3  o 21.841  7.6484  293.264    223.334  257.334    243.296  485.657    562.988  21.117  7.8976  27.299  11.404  -6.181402      13.87193  
1 1 1 -30 27  4  o 12.847  6.0641  -190.8764  220.677  -276.6409  245.775  165.885    501.272  12.830  6.1518  23.086  10.201  -10.25605      11.91252  
1 1 1 -30 27  5  o 31.933  7.2423  654.271    244.723  764.760    274.278  222.885    541.958  34.355  7.5749  24.126  10.636  10.22868       13.05806  
1 1 1 -30 27  6  o 39.861  2.0955  873.867    90.154   882.765    276.705  872.810    95.358   37.306  7.1075  39.799  2.2210  -2.492828      7.446446  
1 1 1 -30 27  7  o 19.769  7.6862  205.893    236.248  94.206     270.314  567.127    486.138  18.255  7.7774  27.976  10.984  -9.720814      13.45836  
1 1 1 -30 27  8  o 32.568  1.4720  578.186    51.924   282.004    297.703  587.479    52.732   22.100  8.6183  32.827  1.4831  -10.72666      8.744970  
1 1 1 -30 27  9  o 23.926  8.1182  376.411    250.948  425.189    289.833  230.335    501.563  25.100  8.7173  23.475  10.294  1.624557       13.48946  
1 1 1 -30 27  10 o 29.902  7.5972  593.112    246.543  545.396    281.198  751.694    512.638  28.063  8.5107  30.407  11.446  -2.343842      14.26319  
1 1 1 -30 27  11 f 44.417  5.7215  1196.48    268.852  1217.76    309.359  1130.80    543.466  43.982  6.7062  36.302  11.940  7.680286       13.69436  
1 1 1 -30 27  12 f 36.651  7.1732  872.085    274.556  873.578    320.286  867.949    533.169  35.528  8.4470  31.676  11.722  3.852856       14.44820  
1 1 1 -30 27  13 f 19.055  7.9678  150.763    275.189  204.826    328.402  23.297     504.258  20.769  8.6961  21.076  9.6793  -0.3074532     13.01194  
1 1 1 -30 27  14 o 49.051  7.6347  1582.90    392.419  1582.90    392.419  0.0000     0.0000   49.051  7.6347  ?       ?       0.000000       7.634725  
1 1 1 -30 28  1  o 21.503  7.2836  286.912    201.997  297.299    217.698  222.591    541.721  21.867  7.5573  24.027  10.611  -2.160522      13.02739  
1 1 1 -30 28  2  o 31.386  7.0432  628.328    233.549  630.545    256.322  617.487    566.777  31.023  7.6714  28.897  11.686  2.125896       13.97907  
1 1 1 -30 28  3  o 41.088  5.5821  1009.68    241.983  1070.11    264.594  700.744    598.249  42.035  5.9803  30.027  12.054  12.00811       13.45601  
1 1 1 -30 28  4  o 45.633  4.9998  1220.70    243.072  1213.30    269.753  1252.67    560.544  45.030  5.6556  39.194  12.042  5.836216       13.30382  
1 1 1 -30 28  5  o 13.909  6.3812  -97.2920   218.391  -89.3374   241.314  -133.2934  513.373  14.759  6.7476  20.392  9.5040  -5.633511      11.65575  
1 1 1 -30 28  6  o 29.728  7.4320  576.009    238.658  556.469    268.308  650.051    522.290  28.727  8.2118  29.237  11.411  -0.5091743     14.05890  
1 1 1 -30 28  7  f 23.049  8.0221  339.491    245.510  394.855    283.650  174.145    490.196  24.479  8.6166  22.863  10.096  1.615997       13.27288  
1 1 1 -30 28  8  o 26.539  8.0124  472.197    249.645  476.700    287.512  458.397    503.268  26.388  8.6847  26.327  10.872  0.6117249E-01  13.91488  
1 1 1 -30 28  9  o 37.036  6.7730  865.870    261.683  1062.51    302.857  286.560    519.826  40.830  7.1065  24.234  10.557  16.59629       12.72621  
1 1 1 -30 28  10 o 46.702  5.4997  1308.77    272.861  1358.74    313.123  1151.07    556.242  46.889  6.3272  36.600  12.081  10.28893       13.63802  
1 1 1 -30 28  11 o 20.347  7.9312  231.854    252.045  124.174    291.214  553.322    503.167  18.961  8.0754  27.219  11.010  -8.257507      13.65368  
1 1 1 -30 28  12 o 22.522  8.3873  325.243    273.832  230.664    324.626  558.546    509.854  21.157  8.7340  27.153  11.047  -5.995996      14.08222  
1 1 1 -30 28  13 o 38.547  9.6100  1090.52    399.824  1090.52    399.824  0.0000     0.0000   38.547  9.6100  ?       ?       0.000000       9.609969  
1 1 1 -30 28  14 o 22.102  9.0726  275.342    347.809  275.342    347.809  0.0000     0.0000   22.102  9.0726  ?       ?       0.000000       9.072556  
1 1 1 -30 29  1  o 28.954  9.4419  597.107    340.118  476.959    430.039  797.802    555.800  26.426  10.343  31.285  11.885  -4.858984      15.75536  
1 1 1 -30 29  2  o 28.419  7.5176  528.921    234.968  460.686    257.595  866.934    573.325  26.243  8.1798  32.312  12.116  -6.069401      14.61856  
1 1 1 -30 29  3  o 28.639  7.3045  531.974    227.293  569.145    246.933  325.795    581.571  29.410  7.6717  25.446  11.124  3.963545       13.51267  
1 1 1 -30 29  4  o 16.725  7.0978  69.641     223.564  66.818     248.458  81.646     512.419  17.302  7.4161  22.248  10.036  -4.945885      12.47904  
1 1 1 -30 29  5  o 29.301  7.5941  563.734    242.984  587.686    271.929  468.854    541.219  29.526  8.2072  26.789  11.186  2.737499       13.87353  
1 1 1 -30 29  6  o 29.481  7.0890  559.066    223.578  488.563    246.969  879.264    526.318  27.083  7.9189  32.834  11.718  -5.751356      14.14279  
1 1 1 -30 29  7  o 24.542  7.6495  394.598    225.279  471.141    252.902  100.502    495.730  26.503  8.0786  22.117  9.9339  4.385748       12.80417  
1 1 1 -30 29  8  o 36.280  6.9528  836.454    263.267  1004.88    305.591  351.603    518.488  39.453  7.4238  25.029  10.720  14.42473       13.03964  
1 1 1 -30 29  9  o 25.488  8.2452  439.262    259.633  586.554    302.450  26.714     506.177  28.891  8.8402  21.403  9.7803  7.487532       13.18348  
1 1 1 -30 29  10 o 36.161  6.7527  828.951    254.749  820.918    290.237  855.904    531.656  35.108  7.8317  31.845  11.719  3.263657       14.09536  
1 1 1 -30 29  11 o 23.782  8.3446  378.766    265.906  419.622    312.094  270.559    507.906  24.724  8.9971  23.646  10.365  1.077944       13.72485  
1 1 1 -30 29  12 o 30.575  8.3116  648.011    282.469  433.949    335.056  1173.96    525.197  25.006  9.2845  37.234  11.692  -12.22750      14.92998  
1 1 1 -30 29  13 o 32.736  8.8835  765.381    323.011  765.381    323.011  0.0000     0.0000   32.736  8.8835  ?       ?       0.000000       8.883458  
1 1 1 -30 30  1  o 15.886  7.4353  -182.5859  319.630  -100.7118  398.773  -329.7021  534.544  18.517  8.5417  19.216  9.1754  -0.6993275     12.53589  
1 1 1 -30 30  2  o 35.220  9.6613  893.220    379.641  876.308    495.368  917.291    590.986  33.084  11.402  32.861  12.305  0.2232819      16.77547  
1 1 1 -30 30  3  o 26.872  10.364  502.854    426.822  596.446    625.273  421.191    584.065  28.558  11.981  26.423  11.349  2.134228       16.50278  
1 1 1 -30 30  4  o 51.639  4.5749  1544.22    253.230  1551.84    282.027  1512.48    575.239  51.341  5.1408  43.449  11.882  7.891628       12.94617  
1 1 1 -30 30  5  o 15.306  6.8297  -25.1719   230.252  96.782     255.783  -546.2179  528.702  17.975  7.6081  17.810  8.6561  0.1650009      11.52435  
1 1 1 -30 30  6  o 44.472  1.7941  1081.56    86.416   679.638    272.395  1126.54    91.123   31.968  7.9102  45.373  1.8542  -13.40487      8.124641  
1 1 1 -30 30  7  o 54.022  4.7762  1701.81    276.584  1667.60    318.232  1807.42    559.220  52.734  5.6602  49.191  10.793  3.542953       12.18678  
1 1 1 -30 30  8  o 36.368  6.8047  836.436    258.183  991.513    296.574  351.072    524.678  39.318  7.2306  25.016  10.751  14.30221       12.95639  
1 1 1 -30 30  9  o 53.883  2.4315  1602.18    141.902  1458.85    305.564  1641.59    160.228  49.029  5.8709  54.415  2.7186  -5.386459      6.469814  
1 1 1 -30 30  10 o 43.055  5.4529  1114.04    248.588  1087.61    279.420  1214.40    544.402  41.817  6.3705  37.826  11.908  3.991520       13.50496  
1 1 1 -30 30  11 o 34.649  8.1526  817.883    300.849  1000.92    365.931  436.123    528.475  37.489  9.1031  25.682  10.907  11.80704       14.20634  
1 1 1 -30 30  12 o 20.349  8.7861  149.706    353.650  149.706    353.650  0.0000     0.0000   20.349  8.7861  ?       ?       0.000000       8.786129  
1 1 1 -30 30  13 o 53.014  6.3077  1744.15    355.078  1744.15    355.078  0.0000     0.0000   53.014  6.3077  ?       ?       0.000000       6.307684  
1 1 1 -30 31  1  o 30.293  10.041  679.371    384.102  1008.60    524.430  298.386    564.146  34.973  11.736  24.851  10.907  10.12251       16.02219  
1 1 1 -30 31  2  o 36.147  9.5756  936.344    380.869  785.093    497.625  1150.25    591.792  31.401  11.371  36.490  12.466  -5.088600      16.87333  
1 1 1 -30 31  3  o 35.296  10.516  942.718    432.114  949.287    543.174  931.395    713.168  33.800  11.921  32.283  13.090  1.516365       17.70470  
1 1 1 -30 31  4  o 29.926  9.9638  656.547    378.038  771.609    529.526  536.942    539.878  30.997  11.640  27.587  11.311  3.410755       16.23042  
1 1 1 -30 31  5  o 23.214  7.9931  347.012    243.421  232.063    272.657  798.429    540.324  20.807  8.2075  31.316  11.758  -10.50968      14.33935  
1 1 1 -30 31  6  o 15.508  6.9037  -16.9436   233.783  -17.1750   260.499  -15.9859   529.965  16.255  7.2578  21.481  9.8864  -5.226065      12.26444  
1 1 1 -30 31  7  o 19.844  7.6737  213.434    234.490  205.976    267.562  238.133    486.906  20.166  8.0734  23.416  10.209  -3.250082      13.01527  
1 1 1 -30 31  8  o 15.419  6.9038  -27.4603   237.438  -255.5000  271.757  708.230    488.116  13.773  6.5670  29.907  11.186  -16.13383      12.97126  
1 1 1 -30 31  9  o 30.876  7.8797  640.719    264.393  614.368    307.192  716.017    519.281  29.470  8.8860  29.759  11.444  -0.2890205     14.48871  
1 1 1 -30 31  10 o 16.661  7.4334  -2.0141    272.688  -45.8648   325.786  100.595    498.354  17.355  7.8979  21.830  9.8680  -4.474550      12.63939  
1 1 1 -30 31  11 o 26.818  8.4250  499.791    272.666  683.302    321.709  31.749     513.778  30.814  9.0461  21.354  9.7934  9.460028       13.33201  
1 1 1 -30 31  12 o 22.603  9.1784  299.114    351.187  299.114    351.187  0.0000     0.0000   22.603  9.1784  ?       ?       0.000000       9.178446  
1 1 1 -30 31  13 o 23.362  10.406  228.792    531.982  228.792    531.982  0.0000     0.0000   23.362  10.406  ?       ?       0.000000       10.40591  
1 1 1 -30 32  1  o 34.375  9.2796  840.737    353.551  477.452    447.658  1443.00    576.388  26.353  10.478  41.804  12.062  -15.45042      15.97743  
1 1 1 -30 32  2  o 37.274  8.9858  965.694    358.531  861.004    452.843  1141.56    586.924  33.187  10.898  36.307  12.415  -3.119701      16.51978  
1 1 1 -30 32  3  o 20.318  9.1211  42.012     417.333  191.943    615.725  -85.3988   567.603  24.298  10.978  21.452  9.9965  2.845667       14.84709  
1 1 1 -30 32  4  o 16.728  7.8370  -189.1975  356.599  -195.5396  498.082  -182.5282  510.771  19.526  9.1840  19.841  9.3222  -0.3157578     13.08625  
1 1 1 -30 32  5  f 31.843  10.060  754.104    388.259  932.250    544.120  569.309    554.182  33.377  11.914  27.943  11.459  5.433947       16.53054  
1 1 1 -30 32  6  o 26.407  7.7688  463.942    237.051  469.141    262.896  441.329    548.245  26.323  8.2732  26.281  11.132  0.4203415E-01  13.86956  
1 1 1 -30 32  7  o 16.714  7.2145  52.174     238.298  9.4647     272.907  189.257    488.928  16.918  7.4987  22.844  10.085  -5.925404      12.56760  
1 1 1 -30 32  8  o 15.909  2.2832  142.035    38.215   228.068    251.082  139.995    38.665   20.341  7.9196  15.781  2.3325  4.560601       8.255984  
1 1 1 -30 32  9  o 24.765  7.8388  410.087    235.648  405.294    265.758  427.717    509.681  24.518  8.3542  25.655  10.793  -1.136969      13.64819  
1 1 1 -30 32  10 o 39.448  7.2448  1006.90    298.135  1078.45    356.666  840.943    543.159  39.588  8.5668  31.322  11.783  8.266186       14.56835  
1 1 1 -30 32  11 o 19.169  8.3762  91.560     329.456  91.560     329.456  0.0000     0.0000   19.169  8.3762  ?       ?       0.000000       8.376236  
1 1 1 -30 32  12 o 22.724  8.7508  325.792    303.948  325.792    303.948  0.0000     0.0000   22.724  8.7508  ?       ?       0.000000       8.750775  
1 1 1 -30 33  1  f 23.206  9.1407  326.207    337.715  86.527     425.339  735.046    555.515  20.873  9.3004  30.089  11.762  -9.216314      14.99470  
1 1 1 -30 33  2  o 17.625  7.9796  -36.9462   327.344  -117.4454  406.343  111.876    552.498  18.455  8.5515  22.854  10.355  -4.398912      13.42978  
1 1 1 -30 33  3  o 21.471  9.2101  180.793    383.763  167.711    515.104  197.112    575.321  22.982  10.238  23.909  10.723  -0.9269829     14.82534  
1 1 1 -30 33  4  o 18.999  8.5052  19.097     360.217  91.461     503.927  -56.5117   515.103  22.084  9.9585  20.895  9.6629  1.189421       13.87599  
1 1 1 -30 33  5  o 35.984  9.8476  947.778    394.971  1171.55    549.978  709.452    567.583  37.384  11.991  29.748  11.808  7.636335       16.82851  
1 1 1 -30 33  6  o 54.999  2.6480  1674.29    157.741  1259.87    593.005  1705.85    163.637  38.039  12.470  55.480  2.7231  -17.44190      12.76425  
1 1 1 -30 33  7  o 43.220  8.8245  1282.56    399.118  1511.15    590.382  1090.16    541.638  42.494  12.192  35.913  11.925  6.580864       17.05421  
1 1 1 -30 33  8  o 33.612  6.4154  708.085    225.031  703.560    249.466  727.848    521.358  32.936  7.1944  29.938  11.478  2.998148       13.54604  
1 1 1 -30 33  9  f 18.729  7.8111  140.225    263.472  70.203     309.866  322.965    500.580  18.518  8.1066  24.259  10.464  -5.741270      13.23665  
1 1 1 -30 33  10 o 20.409  8.2599  214.487    283.395  214.487    283.395  0.0000     0.0000   20.409  8.2599  ?       ?       0.000000       8.259909  
1 1 1 -30 33  11 o 20.049  8.2507  191.439    288.567  191.439    288.567  0.0000     0.0000   20.049  8.2507  ?       ?       0.000000       8.250733  
1 1 1 -30 33  12 o 15.891  7.1804  -39.3651   263.542  -39.3651   263.542  0.0000     0.0000   15.891  7.1804  ?       ?       0.000000       7.180378  
1 1 1 -30 34  1  o 42.933  8.7517  1262.22    393.161  1308.61    474.756  1160.97    701.407  41.670  10.518  34.788  13.318  6.881882       16.97097  
1 1 1 -30 34  2  o 36.154  9.8647  960.178    397.037  515.266    534.388  1508.40    593.195  27.064  11.192  42.436  12.234  -15.37210      16.58102  
1 1 1 -30 34  3  o 19.254  8.6466  18.846     375.416  165.586    503.221  -165.3228  563.758  22.771  10.133  20.720  9.7534  2.051359       14.06457  
1 1 1 -30 34  4  o 26.834  9.8706  512.105    377.087  609.887    530.973  412.605    535.620  28.362  11.367  25.816  10.972  2.545961       15.79830  
1 1 1 -30 34  5  o 76.533  5.8860  3531.91    484.163  3878.42    678.667  3172.78    690.916  76.516  8.3234  66.934  9.8225  9.581322       12.87479  
1 1 1 -30 34  6  o 58.906  7.6645  2244.64    477.422  2439.05    727.916  2097.87    632.456  54.332  12.612  51.823  11.562  2.509590       17.10961  
1 1 1 -30 34  7  o 37.515  1.9978  774.039    80.884   603.179    562.889  777.641    81.732   28.140  11.545  37.598  2.0144  -9.457872      11.71969  
1 1 1 -30 34  8  o 37.782  11.895  1208.71    543.216  0.0000     0.0000   1208.71    543.216  ?       ?       37.782  11.895  0.000000       11.89515  
1 1 1 -30 34  9  o 26.513  9.2733  500.541    328.261  837.748    424.496  -1.0525    517.727  32.708  10.539  21.174  9.7549  11.53417       14.36057  
1 1 1 -30 34  10 o 24.109  8.9864  387.569    314.489  387.569    314.489  0.0000     0.0000   24.109  8.9864  ?       ?       0.000000       8.986399  
1 1 1 -30 34  11 o 28.977  8.7970  596.082    300.322  596.082    300.322  0.0000     0.0000   28.977  8.7970  ?       ?       0.000000       8.797030  
1 1 1 -30 35  1  o 16.162  7.5439  -161.3672  325.359  -677.1137  408.302  735.828    538.526  14.461  7.1442  30.033  11.625  -15.57176      13.64458  
1 1 1 -30 35  2  o 27.692  9.5474  551.862    347.347  624.189    434.353  423.561    578.510  28.699  10.588  26.103  11.254  2.595222       15.45182  
1 1 1 -30 35  3  o 33.065  10.210  826.335    402.382  966.256    542.993  655.908    599.268  33.757  11.917  28.896  11.891  4.860405       16.83492  
1 1 1 -30 35  4  o 23.038  9.4261  299.110    373.928  355.915    522.342  239.400    535.534  25.023  10.740  23.848  10.541  1.174500       15.04814  
1 1 1 -30 35  5  o 20.601  8.9680  131.627    374.520  -92.5138   522.762  367.986    536.820  20.630  9.6067  25.242  10.862  -4.611549      14.50072  
1 1 1 -30 35  6  o 19.883  8.8395  66.660     382.019  81.782     533.544  50.752     547.227  22.238  10.115  22.129  10.133  0.1084461      14.31771  
1 1 1 -30 35  7  o 25.162  10.659  389.389    502.714  0.0000     0.0000   389.389    502.714  ?       ?       25.162  10.659  0.000000       10.65899  
1 1 1 -30 35  8  o 29.091  11.375  678.971    519.648  0.0000     0.0000   678.971    519.648  ?       ?       29.091  11.375  0.000000       11.37470  
1 1 1 -30 35  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 35  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 35  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 36  1  o 39.586  8.7390  1081.80    364.670  1221.26    467.278  864.561    583.224  39.924  10.621  31.581  12.132  8.343914       16.12395  
1 1 1 -30 36  2  o 26.084  9.4761  477.352    345.995  141.332    433.261  1068.88    574.852  21.539  9.5024  34.918  12.268  -13.37816      15.51801  
1 1 1 -30 36  3  o 26.278  10.009  486.786    394.853  683.328    534.749  251.160    585.511  29.282  11.512  24.358  10.878  4.924263       15.83883  
1 1 1 -30 36  4  o 20.918  8.9968  164.179    367.918  -21.8090   516.733  355.414    523.971  21.101  9.7301  24.970  10.738  -3.869062      14.49071  
1 1 1 -30 36  5  o 23.407  9.5191  323.440    378.435  141.793    525.601  518.972    545.319  22.692  10.207  27.030  11.252  -4.338238      15.19216  
1 1 1 -30 36  6  o 29.787  11.834  733.798    570.568  0.0000     0.0000   733.798    570.568  ?       ?       29.787  11.834  0.000000       11.83388  
1 1 1 -30 36  7  o 22.876  10.133  197.568    497.569  0.0000     0.0000   197.568    497.569  ?       ?       22.876  10.133  0.000000       10.13307  
1 1 1 -30 36  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 36  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 36  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 37  1  o 30.457  9.6184  685.833    354.948  847.974    452.859  427.562    571.553  32.527  10.906  25.919  11.180  6.608324       15.61888  
1 1 1 -30 37  2  o 22.851  9.4527  289.329    381.392  759.679    515.588  -279.0495  566.777  30.409  11.472  19.859  9.4728  10.55042       14.87737  
1 1 1 -30 37  3  o 44.263  9.0785  1365.83    420.628  1477.95    569.594  1231.34    623.813  42.233  11.927  36.702  12.787  5.531292       17.48605  
1 1 1 -30 37  4  o 33.416  10.109  844.465    397.115  1060.85    541.076  591.818    584.663  35.225  11.921  27.942  11.643  7.282791       16.66330  
1 1 1 -30 37  5  o 26.271  11.135  462.522    549.209  0.0000     0.0000   462.522    549.209  ?       ?       26.271  11.135  0.000000       11.13540  
1 1 1 -30 37  6  o 25.045  10.902  353.026    553.479  0.0000     0.0000   353.026    553.479  ?       ?       25.045  10.902  0.000000       10.90233  
1 1 1 -30 37  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 37  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 37  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 37  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 38  1  o 35.494  9.2899  906.968    361.301  730.577    462.729  1182.46    578.291  30.213  10.961  36.536  12.324  -6.322840      16.49346  
1 1 1 -30 38  2  o 21.002  9.8277  -93.9771   558.002  0.0000     0.0000   -93.9771   558.002  ?       ?       21.002  9.8277  0.000000       9.827726  
1 1 1 -30 38  3  o 19.021  9.1621  -393.4849  559.695  0.0000     0.0000   -393.4849  559.695  ?       ?       19.021  9.1621  0.000000       9.162079  
1 1 1 -30 38  4  o 25.317  11.022  370.777    565.834  0.0000     0.0000   370.777    565.834  ?       ?       25.317  11.022  0.000000       11.02217  
1 1 1 -30 38  5  o 38.317  12.316  1279.46    580.037  0.0000     0.0000   1279.46    580.037  ?       ?       38.317  12.316  0.000000       12.31648  
1 1 1 -30 38  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 38  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 38  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 38  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 39  1  o 30.437  11.894  784.848    567.947  0.0000     0.0000   784.848    567.947  ?       ?       30.437  11.894  0.000000       11.89421  
1 1 1 -30 39  2  o 28.960  11.796  677.328    582.263  0.0000     0.0000   677.328    582.263  ?       ?       28.960  11.796  0.000000       11.79578  
1 1 1 -30 39  3  o 32.009  12.293  904.553    598.661  0.0000     0.0000   904.553    598.661  ?       ?       32.009  12.293  0.000000       12.29259  
1 1 1 -30 39  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 39  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 39  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 39  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 39  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 40  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 41  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 42  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 42  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 42  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 42  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -30 42  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 0   1  o 115.012 5.2398  7368.78    649.636  7368.78    649.636  7368.78    649.636  115.012 5.2398  115.012 5.2398  0.000000       0.000000  
1 1 1 -29 0   2  o 20.174  11.304  346.634    371.500  346.634    371.500  346.634    371.500  20.174  11.304  20.174  11.304  0.000000       0.000000  
1 1 1 -29 0   3  o 16.484  10.025  172.016    334.811  172.016    334.811  172.016    334.811  16.484  10.025  16.484  10.025  0.000000       0.000000  
1 1 1 -29 0   4  o 29.058  12.067  696.666    378.320  696.666    378.320  696.666    378.320  29.058  12.067  29.058  12.067  -0.000000      0.000000  
1 1 1 -29 0   5  o 28.043  11.664  646.970    353.370  646.970    353.370  646.970    353.370  28.043  11.664  28.043  11.664  -0.000000      0.000000  
1 1 1 -29 0   6  o 15.619  9.7334  123.030    334.324  123.030    334.324  123.030    334.324  15.619  9.7334  15.619  9.7334  -0.000000      0.000000  
1 1 1 -29 0   7  o 73.177  5.6216  3031.75    439.510  3031.75    439.510  3031.75    439.510  73.177  5.6216  73.177  5.6216  0.000000       0.000000  
1 1 1 -29 0   8  o 106.615 5.0249  6344.30    577.317  6344.30    577.317  6344.30    577.317  106.615 5.0249  106.615 5.0249  0.000000       0.000000  
1 1 1 -29 0   9  o 59.166  6.4803  2039.97    402.603  2039.97    402.603  2039.97    402.603  59.166  6.4803  59.166  6.4803  0.000000       0.000000  
1 1 1 -29 0   10 o 15.315  9.8098  82.662     366.915  82.662     366.915  82.662     366.915  15.315  9.8098  15.315  9.8098  -0.000000      0.000000  
1 1 1 -29 0   11 o 36.090  11.650  985.042    402.281  985.042    402.281  985.042    402.281  36.090  11.650  36.090  11.650  -0.000000      0.000000  
1 1 1 -29 0   12 o 53.245  7.6547  1728.39    414.962  1728.39    414.962  1728.39    414.962  53.245  7.6547  53.245  7.6547  -0.000000      0.000000  
1 1 1 -29 0   13 o 17.003  9.9329  240.095    304.560  240.095    304.560  240.095    304.560  17.003  9.9329  17.003  9.9329  0.000000       0.000000  
1 1 1 -29 0   14 o 36.051  9.4543  898.207    318.962  898.207    318.962  898.207    318.962  36.051  9.4543  36.051  9.4543  0.000000       0.000000  
1 1 1 -29 0   15 o 11.390  7.7431  -107.8193  290.054  -107.8193  290.054  -107.8193  290.054  11.390  7.7431  11.390  7.7431  0.000000       0.000000  
1 1 1 -29 0   16 o 9.6555  6.8173  -291.4562  287.048  -291.4562  287.048  -291.4562  287.048  9.6555  6.8173  9.6555  6.8173  0.000000       0.000000  
1 1 1 -29 0   17 o 25.349  11.390  589.555    334.273  589.555    334.273  589.555    334.273  25.349  11.390  25.349  11.390  -0.000000      0.000000  
1 1 1 -29 0   18 o 27.141  11.457  659.302    340.086  659.302    340.086  659.302    340.086  27.141  11.457  27.141  11.457  0.000000       0.000000  
1 1 1 -29 0   19 o 10.490  7.3639  -262.9726  320.065  -262.9726  320.065  -262.9726  320.065  10.490  7.3639  10.490  7.3639  0.000000       0.000000  
1 1 1 -29 0   20 o 46.970  8.0452  1416.54    373.238  1416.54    373.238  1416.54    373.238  46.970  8.0452  46.970  8.0452  0.000000       0.000000  
1 1 1 -29 1   1  o 27.599  8.5546  470.502    282.188  568.613    420.802  390.327    380.398  30.088  10.501  26.410  9.8756  3.678507       14.41504  
1 1 1 -29 1   2  o 21.131  8.2545  198.389    273.465  -77.4330   336.571  734.185    469.097  18.280  8.1995  33.380  11.098  -15.10011      13.79886  
1 1 1 -29 1   3  o 26.906  7.6356  442.226    232.843  327.739    342.344  540.777    317.624  24.819  9.3513  29.381  9.0707  -4.562277      13.02787  
1 1 1 -29 1   4  f 19.332  7.7386  140.256    245.795  -201.9090  376.148  395.237    324.709  17.955  8.2872  26.020  9.2127  -8.064547      12.39157  
1 1 1 -29 1   5  o 74.159  3.9783  3064.63    318.377  2790.24    463.443  3309.87    438.128  69.347  6.2369  76.232  5.3400  -6.884766      8.210636  
1 1 1 -29 1   6  o 70.626  3.8726  2778.45    295.101  2621.21    404.562  2957.24    431.401  67.597  5.5755  71.811  5.5906  -4.214378      7.895600  
1 1 1 -29 1   7  o 54.599  4.5831  1686.14    268.524  1601.24    391.070  1761.88    369.359  51.662  7.1833  54.793  6.3409  -3.131123      9.581585  
1 1 1 -29 1   8  o 25.556  8.0481  403.159    248.649  331.677    350.826  475.310    352.466  24.676  9.4259  27.579  9.6112  -2.902876      13.46192  
1 1 1 -29 1   9  o 51.805  4.9614  1538.54    274.981  1411.62    405.010  1647.08    374.539  47.484  8.1695  52.439  6.7511  -4.955006      10.59802  
1 1 1 -29 1   10 o 21.243  8.0321  239.193    253.114  91.832     341.825  418.073    376.612  20.238  8.6871  26.179  9.8190  -5.941944      13.11025  
1 1 1 -29 1   11 o 29.628  8.2933  573.720    276.653  209.207    391.497  937.302    390.996  22.656  9.4912  36.961  9.6595  -14.30435      13.54214  
1 1 1 -29 1   12 o 19.127  7.8846  136.057    264.065  390.568    380.444  -100.5452  366.815  25.337  9.7809  18.177  8.3136  7.160311       12.83678  
1 1 1 -29 1   13 o 33.306  6.1892  676.051    215.053  505.789    290.609  882.149    319.733  27.544  8.7037  36.702  8.2445  -9.158209      11.98855  
1 1 1 -29 1   14 o 16.609  6.9226  81.570     206.771  19.184     290.905  145.271    293.955  17.711  7.8013  19.748  8.2445  -2.037165      11.35045  
1 1 1 -29 1   15 o 15.894  6.8035  45.616     208.605  22.941     294.633  68.408     295.394  17.762  7.8361  18.442  7.9963  -0.6801815     11.19579  
1 1 1 -29 1   16 o 40.055  5.7355  970.963    241.721  814.630    328.006  1156.78    357.599  34.245  8.7967  41.641  8.2205  -7.395599      12.03990  
1 1 1 -29 1   17 o 39.650  6.1814  973.379    256.802  744.892    377.701  1169.81    350.203  31.408  9.9223  41.856  8.0168  -10.44852      12.75620  
1 1 1 -29 1   18 o 21.889  7.8168  309.609    234.249  222.060    330.431  398.062    332.132  20.984  8.7491  24.135  9.1827  -3.150967      12.68336  
1 1 1 -29 1   19 o 20.630  7.7582  261.957    235.420  -195.8700  331.539  727.573    334.347  15.746  7.4325  31.258  9.2351  -15.51264      11.85449  
1 1 1 -29 1   20 o 23.666  8.1168  385.485    250.897  -10.9349   370.229  722.159    341.190  18.370  8.3827  30.902  9.3754  -12.53156      12.57650  
1 1 1 -29 2   1  o 102.693 3.5101  5827.54    390.417  5762.95    562.453  5887.60    542.361  100.840 5.1671  102.259 4.8969  -1.419113      7.118855  
1 1 1 -29 2   2  o 40.345  6.0022  949.490    254.295  998.866    355.582  897.801    363.813  40.097  8.4540  37.641  9.0378  2.455730       12.37547  
1 1 1 -29 2   3  o 49.488  5.0092  1392.41    264.798  1571.19    372.671  1210.11    376.318  51.600  6.8365  44.458  8.1140  7.141506       10.61017  
1 1 1 -29 2   4  o 55.031  4.9264  1716.82    290.525  1750.44    420.750  1686.18    401.643  54.144  7.3659  53.274  7.1404  0.8699150      10.25871  
1 1 1 -29 2   5  f 53.105  4.5032  1588.87    256.575  1832.36    363.659  1347.54    362.049  56.204  6.0703  47.432  7.2799  8.771618       9.478694  
1 1 1 -29 2   6  o 28.275  8.0066  496.069    256.310  524.384    380.061  472.448    347.128  28.963  9.9868  27.736  9.5454  1.227554       13.81483  
1 1 1 -29 2   7  o 62.366  4.2930  2186.02    288.217  2182.13    405.340  2190.00    409.899  61.126  6.2086  61.192  6.2733  -0.6582260E-01 8.826175  
1 1 1 -29 2   8  o 118.422 3.4160  7765.18    438.146  7833.00    623.427  7698.98    615.905  117.585 4.8951  116.594 4.8772  0.9914017      6.910054  
1 1 1 -29 2   9  o 79.906  3.9274  3567.71    339.905  3443.87    484.004  3688.21    477.458  76.899  5.8551  79.869  5.5539  -2.970749      8.070194  
1 1 1 -29 2   10 o 23.911  8.4457  344.803    272.737  391.074    388.799  299.975    382.689  25.769  9.9040  24.143  9.6590  1.625803       13.83420  
1 1 1 -29 2   11 o 18.799  7.7783  121.312    258.330  273.526    371.298  -21.4994   359.648  23.374  9.4564  18.991  8.5003  4.382750       12.71525  
1 1 1 -29 2   12 o 26.283  7.5900  442.566    228.144  497.635    285.219  344.741    380.148  27.447  8.6158  24.536  9.6872  2.911907       12.96432  
1 1 1 -29 2   13 o 72.591  3.9489  2977.80    309.309  2798.00    364.758  3438.07    583.581  69.613  4.8684  74.395  7.3381  -4.781776      8.806224  
1 1 1 -29 2   14 o 69.133  3.7973  2697.94    283.248  2592.92    387.135  2818.93    415.515  66.387  5.4316  69.059  5.6035  -2.672554      7.803952  
1 1 1 -29 2   15 o 52.699  4.5199  1602.83    255.491  1652.90    348.519  1544.67    375.641  52.065  6.3092  49.500  7.2189  2.565037       9.587437  
1 1 1 -29 2   16 o 29.514  7.0677  562.643    222.946  310.414    313.798  819.737    316.810  22.729  8.8525  34.610  8.5107  -11.88130      12.27997  
1 1 1 -29 2   17 o 53.909  4.5117  1689.96    261.011  1670.14    371.848  1709.21    366.462  51.415  6.8477  52.249  6.6244  -0.8343353     9.527537  
1 1 1 -29 2   18 o 61.121  4.2343  2160.19    278.583  2430.38    393.549  1888.83    394.403  63.122  5.8220  54.494  6.8324  8.628151       8.976502  
1 1 1 -29 2   19 o 30.101  7.7242  618.911    253.083  410.197    371.892  798.949    345.402  24.298  9.5852  32.747  9.3020  -8.449841      13.35679  
1 1 1 -29 2   20 o 24.386  8.1139  413.108    250.706  169.873    365.760  628.657    344.315  20.482  8.8893  28.693  9.5069  -8.210777      13.01544  
1 1 1 -29 3   1  o 18.143  7.4665  94.046     236.313  254.697    332.133  -70.6617   336.301  23.238  9.0917  18.335  8.2122  4.903521       12.25150  
1 1 1 -29 3   2  o 20.109  7.7283  185.441    236.735  270.061    330.678  96.474     339.067  23.530  9.1089  20.723  8.7647  2.807724       12.64086  
1 1 1 -29 3   3  o 28.094  7.7445  484.825    243.245  328.827    340.490  647.428    347.622  24.810  9.3302  31.849  9.4186  -7.039467      13.25757  
1 1 1 -29 3   4  o 44.010  5.9909  1126.86    278.153  887.896    400.078  1350.44    386.985  36.984  9.8221  47.165  7.8513  -10.18141      12.57444  
1 1 1 -29 3   5  o 45.439  5.3928  1186.17    260.228  1073.23    345.382  1334.48    395.781  41.878  7.9043  46.664  8.1259  -4.786308      11.33619  
1 1 1 -29 3   6  o 47.588  5.1194  1294.45    259.715  1472.74    384.603  1145.01    352.127  49.468  7.4060  43.288  7.7973  6.180580       10.75391  
1 1 1 -29 3   7  f 24.245  8.2112  349.422    256.723  226.212    381.346  451.543    347.178  23.380  9.5372  27.166  9.5348  -3.786057      13.48598  
1 1 1 -29 3   8  o 18.433  7.5113  115.628    236.235  266.170    325.067  -52.8626   343.901  23.093  9.0056  18.572  8.3126  4.520409       12.25562  
1 1 1 -29 3   9  o 22.355  8.1687  279.743    257.643  405.467    355.512  140.671    373.909  25.983  9.5802  21.710  9.1942  4.273897       13.27831  
1 1 1 -29 3   10 o 17.223  7.3486  51.609     241.977  -135.1923  332.457  262.050    352.867  17.130  7.8641  23.115  9.2653  -5.984661      12.15276  
1 1 1 -29 3   11 o 36.121  7.4787  822.285    282.949  783.836    394.173  863.158    406.409  33.453  10.061  35.052  10.132  -1.598671      14.27897  
1 1 1 -29 3   12 o 42.541  6.0542  1085.71    271.080  1154.27    325.678  931.102    489.100  43.028  7.2457  35.191  11.310  7.837460       13.43163  
1 1 1 -29 3   13 o 18.141  7.5658  105.593    247.180  146.711    298.736  16.334     440.147  19.952  8.3188  20.844  9.3614  -0.8922405     12.52350  
1 1 1 -29 3   14 o 12.271  5.8659  -243.7179  219.732  -379.9411  307.405  -101.4039  314.202  13.910  6.7223  16.755  7.6747  -2.845577      10.20251  
1 1 1 -29 3   15 o 22.678  7.5036  325.805    214.519  283.643    301.097  369.268    305.707  22.273  8.6724  24.065  8.8818  -1.792852      12.41352  
1 1 1 -29 3   16 f 19.169  7.3854  196.173    216.583  144.964    308.240  246.108    304.384  19.734  8.3522  21.414  8.5975  -1.679848      11.98651  
1 1 1 -29 3   17 o 28.626  7.4273  543.611    232.264  687.972    330.081  402.032    326.885  30.823  9.1925  24.411  9.1494  6.412024       12.96970  
1 1 1 -29 3   18 o 13.857  6.4971  -158.3426  245.913  -211.3460  384.339  -121.6030  319.985  16.876  7.9771  16.267  7.5554  0.6084824      10.98721  
1 1 1 -29 3   19 o 23.662  7.9076  381.270    238.060  253.214    334.189  513.198    339.203  21.409  8.8517  26.311  9.4053  -4.901789      12.91556  
1 1 1 -29 3   20 o 46.314  5.2735  1294.32    259.819  1148.39    364.405  1445.22    370.552  40.383  8.5951  46.587  7.6062  -6.203560      11.47738  
1 1 1 -29 4   1  o 76.366  3.7751  3233.25    312.247  3130.70    435.834  3341.39    447.568  74.034  5.4740  76.524  5.4353  -2.489388      7.714128  
1 1 1 -29 4   2  o 16.502  7.2257  -15.7982   246.314  13.211     364.328  -40.2214   334.290  20.122  8.7999  18.679  8.2881  1.442900       12.08850  
1 1 1 -29 4   3  o 16.850  7.1975  30.206     232.586  -34.1436   324.087  98.548     333.988  18.493  8.1855  20.641  8.7128  -2.147995      11.95472  
1 1 1 -29 4   4  o 79.677  3.7915  3519.34    327.201  3599.09    450.689  3430.45    475.796  79.582  5.2583  77.358  5.7192  2.224312       7.769096  
1 1 1 -29 4   5  o 48.738  5.0822  1354.53    264.332  1448.93    350.927  1230.74    401.875  49.541  6.7130  44.420  8.6642  5.121128       10.96046  
1 1 1 -29 4   6  o 48.040  5.5165  1330.07    281.832  995.118    384.458  1719.16    414.362  39.441  9.1730  53.538  7.3389  -14.09721      11.74750  
1 1 1 -29 4   7  o 74.709  4.0194  3120.20    324.041  3125.32    468.967  3115.52    448.261  73.431  5.9476  73.531  5.6723  -0.1004410     8.218787  
1 1 1 -29 4   8  o 85.177  3.7666  4037.14    347.491  4379.96    494.091  3701.61    488.805  87.502  5.2374  80.049  5.6746  7.453125       7.722132  
1 1 1 -29 4   9  o 62.354  4.4246  2200.72    296.879  1943.13    425.744  2444.52    414.194  56.717  7.0851  64.608  5.9870  -7.891476      9.275916  
1 1 1 -29 4   10 o 50.573  5.3669  1487.74    289.482  1541.92    400.876  1428.71    418.468  49.807  7.6777  47.264  8.4865  2.543736       11.44413  
1 1 1 -29 4   11 f 41.319  5.0834  994.035    222.696  804.532    263.390  1469.15    417.052  36.021  7.0033  47.818  8.3567  -11.79663      10.90328  
1 1 1 -29 4   12 o 66.669  4.2776  2527.38    307.252  2433.73    366.723  2747.96    562.805  64.619  5.2860  65.765  8.0705  -1.146286      9.647520  
1 1 1 -29 4   13 o 50.350  4.9556  1472.32    266.747  1439.55    312.448  1560.40    512.269  49.029  6.0095  46.987  10.346  2.041912       11.96449  
1 1 1 -29 4   14 o 20.277  7.7290  222.465    235.567  374.572    279.150  -153.7923  439.041  24.216  8.5454  19.043  8.8462  5.173492       12.29958  
1 1 1 -29 4   15 o 20.458  7.5491  241.812    220.831  410.403    323.176  94.146     302.457  25.000  9.1467  18.976  8.1592  6.024727       12.25698  
1 1 1 -29 4   16 o 14.880  6.6696  -33.9119   222.257  -120.3050  333.821  34.879     297.878  16.827  7.7806  17.871  7.8819  -1.044565      11.07526  
1 1 1 -29 4   17 o 27.681  7.4428  509.306    227.975  579.321    327.666  443.612    317.391  28.266  9.2699  25.269  9.0909  2.997589       12.98365  
1 1 1 -29 4   18 o 18.362  7.4275  160.416    229.017  363.051    320.521  -50.9412   327.346  23.403  8.9929  17.204  7.8630  6.198721       11.94569  
1 1 1 -29 4   19 o 40.975  5.8319  1035.54    251.516  1066.85    353.434  1003.42    358.004  38.939  8.6089  37.318  8.9686  1.621445       12.43174  
1 1 1 -29 5   1  o 61.335  4.1436  2104.57    273.654  2166.62    394.066  2046.79    380.311  61.177  6.0254  59.473  5.9854  1.703968       8.492959  
1 1 1 -29 5   2  o 79.019  3.8392  3463.66    328.579  3405.57    471.048  3518.71    458.565  77.099  5.6809  78.564  5.4221  -1.465645      7.853181  
1 1 1 -29 5   3  o 20.508  7.5910  213.039    223.631  321.889    294.127  63.896     344.289  24.091  8.7393  20.350  8.7264  3.740427       12.35012  
1 1 1 -29 5   4  o 23.480  8.0427  318.135    246.324  407.101    339.295  218.989    358.181  26.367  9.4085  23.049  9.3008  3.318722       13.22974  
1 1 1 -29 5   5  o 21.703  7.8383  253.910    236.228  127.589    310.771  426.790    363.558  20.550  8.5195  26.923  9.7239  -6.372814      12.92811  
1 1 1 -29 5   6  o 47.020  5.6374  1278.55    281.379  1116.76    380.663  1473.44    417.784  42.195  8.6206  48.942  8.1693  -6.747238      11.87651  
1 1 1 -29 5   7  o 28.812  8.5183  524.431    284.369  544.133    375.897  498.068    434.825  29.198  9.9357  28.537  10.581  0.6607590      14.51437  
1 1 1 -29 5   8  o 46.077  5.7606  1238.98    281.206  1393.36    394.680  1079.81    400.759  47.458  7.9602  40.744  9.2878  6.713863       12.23228  
1 1 1 -29 5   9  o 63.722  4.5246  2303.01    310.242  2385.97    431.782  2214.48    446.064  63.504  6.3632  60.716  6.9059  2.787762       9.390482  
1 1 1 -29 5   10 o 52.092  5.4900  1583.07    305.085  1697.55    438.030  1475.21    425.167  51.970  8.0415  48.028  8.4835  3.942173       11.68906  
1 1 1 -29 5   11 o 31.247  6.6710  602.835    218.907  502.671    248.333  951.940    463.614  27.931  7.8712  36.139  10.921  -8.208008      13.46180  
1 1 1 -29 5   12 o 20.693  7.8925  228.265    245.738  204.130    294.691  283.357    445.230  20.962  8.4443  24.270  10.141  -3.307568      13.19611  
1 1 1 -29 5   13 o 14.986  6.7275  -48.9693   227.051  -156.2065  265.335  244.305    438.793  14.800  6.8759  23.553  9.9666  -8.752902      12.10832  
1 1 1 -29 5   14 o 24.375  7.9233  382.975    239.584  388.205    284.180  370.123    445.486  24.547  8.6259  25.210  10.299  -0.6629467     13.43383  
1 1 1 -29 5   15 o 19.840  7.3928  221.218    212.805  301.388    298.091  137.896    303.896  22.588  8.6743  19.691  8.3113  2.897123       12.01334  
1 1 1 -29 5   16 o 22.855  7.8168  336.900    232.678  180.907    350.361  459.985    311.218  20.944  8.8866  25.835  9.0298  -4.891010      12.66920  
1 1 1 -29 5   17 o 24.022  7.6696  383.465    225.211  387.828    322.052  379.290    315.055  24.101  9.0720  23.906  8.9780  0.1948757      12.76346  
1 1 1 -29 5   18 o 47.556  5.0563  1346.97    256.447  1290.52    359.644  1405.36    365.776  43.944  7.8440  46.174  7.5768  -2.230206      10.90582  
1 1 1 -29 5   19 o 20.271  7.7136  246.751    234.385  119.391    329.501  377.202    333.475  19.316  8.4103  23.598  9.1439  -4.281763      12.42349  
1 1 1 -29 6   1  o 19.577  7.7549  155.106    244.359  -18.9243   349.457  321.614    341.822  19.307  8.5250  24.622  9.3281  -5.314489      12.63685  
1 1 1 -29 6   2  o 38.168  6.6860  866.535    266.327  1113.03    386.204  643.020    367.760  42.163  8.7437  31.627  9.7598  10.53660       13.10371  
1 1 1 -29 6   3  o 13.456  6.2316  -151.1482  215.361  74.004     280.006  -477.2495  336.981  18.935  7.9843  14.446  6.9951  4.489174       10.61508  
1 1 1 -29 6   4  o 54.796  4.7572  1698.47    279.536  1490.37    382.077  1938.17    410.051  49.920  7.2808  57.401  6.7229  -7.480541      9.909947  
1 1 1 -29 6   5  o 44.143  5.5437  1124.62    259.205  1100.35    339.024  1158.77    402.150  42.542  7.6384  42.851  8.9533  -0.3087463     11.76887  
1 1 1 -29 6   6  o 33.182  7.5017  676.679    263.280  654.304    369.618  699.724    375.110  31.726  9.7835  32.729  9.8082  -1.002989      13.85344  
1 1 1 -29 6   7  o 64.400  4.5168  2341.09    313.063  2499.71    436.752  2173.47    448.975  65.382  6.2434  60.376  6.9953  5.005733       9.376256  
1 1 1 -29 6   8  o 23.185  8.3463  306.990    267.563  102.004    361.534  555.225    397.849  21.007  8.9734  29.291  10.211  -8.283886      13.59365  
1 1 1 -29 6   9  f 49.928  6.1199  1472.53    324.020  1715.04    456.024  1225.26    460.474  52.198  8.3474  42.522  10.141  9.675724       13.13439  
1 1 1 -29 6   10 o 47.644  5.6074  1331.07    283.824  1231.53    409.822  1422.82    393.455  43.329  9.0258  47.600  7.9092  -4.271637      12.00081  
1 1 1 -29 6   11 o 28.671  6.8429  512.562    209.549  460.235    234.921  716.314    463.566  26.818  7.6895  31.525  11.020  -4.706516      13.43789  
1 1 1 -29 6   12 o 19.477  7.6112  183.801    232.564  61.110     272.401  513.676    446.661  18.018  7.7452  27.795  10.631  -9.777245      13.15343  
1 1 1 -29 6   13 o 16.773  7.1543  55.878     229.194  -204.0013  266.870  786.308    447.406  14.320  6.7313  32.614  10.839  -18.29437      12.75877  
1 1 1 -29 6   14 o 37.080  6.5362  848.493    252.915  867.254    296.111  797.891    486.308  36.655  7.7031  32.248  11.287  4.407223       13.66480  
1 1 1 -29 6   15 o 57.371  4.1260  1879.50    254.673  1960.39    356.973  1795.65    363.436  57.160  5.8483  54.276  6.2994  2.883724       8.595657  
1 1 1 -29 6   16 f 46.951  5.1126  1303.63    255.785  1377.67    379.826  1242.19    346.004  45.755  7.9529  43.764  7.5737  1.991302       10.98225  
1 1 1 -29 6   17 o 18.999  7.5170  184.904    229.349  40.096     342.849  302.189    308.552  18.738  8.3495  22.330  8.7556  -3.592154      12.09856  
1 1 1 -29 6   18 o 19.535  7.5951  213.476    230.671  86.187     321.653  348.257    330.985  18.802  8.2446  23.157  9.0715  -4.354977      12.25827  
1 1 1 -29 6   19 o 23.103  8.0349  360.572    246.274  563.849    357.850  177.667    339.446  27.258  9.6692  20.305  8.6848  6.953329       12.99688  
1 1 1 -29 7   1  o 41.813  5.8913  1018.40    259.404  1331.89    363.571  693.335    370.225  47.053  7.3765  32.703  9.7314  14.35028       12.21117  
1 1 1 -29 7   2  o 40.950  6.0095  979.257    258.614  916.113    359.933  1046.64    371.827  38.054  8.8927  40.883  8.6661  -2.828938      12.41698  
1 1 1 -29 7   3  o 14.717  6.5958  -66.6118   217.286  -85.7709   283.058  -39.1244   339.043  16.620  7.4819  18.798  8.3438  -2.178333      11.20706  
1 1 1 -29 7   4  o 28.405  7.8700  498.483    250.471  592.878    341.997  389.274    367.854  30.512  9.4111  26.231  9.7305  4.281769       13.53701  
1 1 1 -29 7   5  o 28.867  7.8025  515.679    249.769  342.711    328.973  751.080    383.779  24.861  9.2059  33.913  9.8588  -9.052422      13.48871  
1 1 1 -29 7   6  o 28.148  8.2068  494.815    265.590  671.312    361.986  289.021    390.876  32.123  9.6370  24.583  9.7858  7.539537       13.73443  
1 1 1 -29 7   7  o 79.493  4.0294  3534.30    345.796  3435.30    487.828  3634.27    490.239  76.999  5.8942  79.336  5.7440  -2.337631      8.230130  
1 1 1 -29 7   8  o 90.406  3.9269  4561.40    384.519  4343.45    523.004  4817.80    567.273  86.759  5.5955  91.212  5.7719  -4.452400      8.038941  
1 1 1 -29 7   9  o 53.648  5.2498  1662.70    301.138  1522.14    413.772  1820.99    439.102  49.369  8.0129  54.352  7.6723  -4.983494      11.09370  
1 1 1 -29 7   10 o 31.506  7.2001  620.424    240.328  668.327    297.636  530.682    407.387  32.001  8.4589  28.347  10.285  3.654257       13.31659  
1 1 1 -29 7   11 o 17.346  7.3227  72.803     235.964  176.223    277.704  -195.7643  447.514  20.206  8.1770  19.095  8.8908  1.111095       12.07933  
1 1 1 -29 7   12 o 39.683  5.6995  936.504    237.942  1067.09    273.470  529.594    482.735  42.084  6.1840  28.171  10.978  13.91346       12.59956  
1 1 1 -29 7   13 o 37.746  6.6304  877.254    261.174  1122.38    310.480  284.029    482.999  42.528  6.9828  24.562  10.429  17.96615       12.55059  
1 1 1 -29 7   14 o 12.480  6.0016  -287.6200  237.864  -280.0138  283.200  -305.8370  438.279  14.027  6.6922  17.754  8.4290  -3.726981      10.76263  
1 1 1 -29 7   15 o 11.896  5.7338  -278.5948  220.031  -126.2077  260.395  -659.0484  411.442  14.883  6.8783  14.747  7.2637  0.1360474      10.00365  
1 1 1 -29 7   16 o 18.046  7.2681  145.992    218.265  243.228    311.771  52.527     305.667  21.424  8.6660  18.274  8.0243  3.149977       11.81055  
1 1 1 -29 7   17 o 16.687  7.0462  83.040     218.564  5.6604     312.407  157.225    305.889  17.675  7.9159  19.733  8.3344  -2.058744      11.49451  
1 1 1 -29 7   18 o 36.748  6.3078  849.014    242.016  1068.70    342.259  629.313    342.267  39.453  8.2736  28.972  9.4728  10.48185       12.57727  
1 1 1 -29 7   19 o 67.858  3.7958  2633.27    277.866  2419.60    410.407  2814.12    377.569  62.445  6.1478  68.710  5.1100  -6.265331      7.994227  
1 1 1 -29 8   1  o 23.285  7.7327  318.362    227.745  377.049    301.692  240.610    347.253  25.338  8.8886  23.172  9.2237  2.166105       12.80950  
1 1 1 -29 8   2  o 61.248  4.3596  2106.28    287.323  2303.25    396.448  1888.36    417.001  63.184  5.8598  56.461  6.9667  6.723015       9.103428  
1 1 1 -29 8   3  o 26.255  7.8490  421.758    240.435  329.575    323.617  535.337    359.215  24.563  9.1238  29.195  9.7123  -4.631132      13.32557  
1 1 1 -29 8   4  o 88.066  3.6858  4296.89    351.569  4497.66    484.098  4072.82    511.412  89.112  5.0363  84.325  5.6318  4.786804       7.555257  
1 1 1 -29 8   5  o 116.188 3.4748  7464.09    437.288  7003.91    592.214  8015.80    648.440  111.417 4.9075  119.076 5.0278  -7.658493      7.025788  
1 1 1 -29 8   6  o 88.590  3.9179  4368.00    375.934  4400.93    529.591  4334.56    533.736  87.540  5.6152  86.791  5.7097  0.7480774      8.008140  
1 1 1 -29 8   7  o 45.574  6.3962  1229.18    307.034  1364.61    439.741  1100.36    428.888  46.185  9.1144  40.842  9.8169  5.343010       13.39568  
1 1 1 -29 8   8  o 27.140  8.6237  465.490    284.991  790.451    415.631  177.131    391.525  34.082  10.349  22.618  9.4841  11.46448       14.03774  
1 1 1 -29 8   9  o 86.808  4.0599  4225.52    381.725  4592.46    517.976  3789.34    564.731  89.217  5.3856  79.809  6.5921  9.408127       8.512397  
1 1 1 -29 8   10 o 63.084  4.2789  2255.47    290.635  2479.88    343.263  1687.24    546.209  65.748  4.8546  49.321  10.544  16.42694       11.60816  
1 1 1 -29 8   11 o 55.691  4.4247  1769.65    264.695  1842.63    306.591  1555.99    524.560  56.391  5.0740  47.001  10.562  9.390213       11.71729  
1 1 1 -29 8   12 o 18.316  7.5083  123.455    237.804  124.039    280.613  121.968    447.940  19.260  8.0492  22.252  9.7439  -2.991747      12.63853  
1 1 1 -29 8   13 o 25.150  8.6764  408.717    286.883  387.348    364.485  443.510    465.088  25.049  9.5983  26.607  10.647  -1.557783      14.33477  
1 1 1 -29 8   14 o 18.855  7.5712  158.425    236.087  282.909    275.437  -186.2756  458.338  22.089  8.3723  19.110  8.9311  2.978588       12.24175  
1 1 1 -29 8   15 o 15.106  6.8117  -51.5348   235.773  110.445    283.829  -412.1431  423.491  18.835  7.9956  16.548  7.9704  2.287493       11.28964  
1 1 1 -29 8   16 o 17.845  7.3247  128.216    226.689  -169.7575  337.238  373.833    306.180  16.389  7.6599  23.925  8.8769  -7.535870      11.72496  
1 1 1 -29 8   17 o 20.418  7.5550  250.189    221.476  260.256    314.487  240.284    311.958  21.596  8.7149  21.211  8.6362  0.3846321      12.26923  
1 1 1 -29 8   18 o 22.665  1.2632  280.637    30.886   -34.6195   345.443  283.177    31.010   17.752  8.0993  22.767  1.2625  -5.015345      8.197146  
1 1 1 -29 8   19 o 44.756  5.3866  1212.21    255.874  912.911    356.586  1529.90    367.377  35.212  9.2354  48.456  7.2204  -13.24438      11.72295  
1 1 1 -29 9   1  o 42.415  5.6995  1044.17    255.211  930.877    348.807  1174.70    374.396  38.465  8.5895  43.568  8.2357  -5.103157      11.89983  
1 1 1 -29 9   2  o 43.254  5.8668  1088.40    267.763  1274.81    361.605  862.108    398.412  45.913  7.5329  36.305  9.8718  9.608509       12.41760  
1 1 1 -29 9   3  o 49.003  5.2272  1373.87    273.156  1239.66    368.064  1538.41    407.547  45.097  7.8188  50.408  7.7096  -5.311474      10.98049  
1 1 1 -29 9   4  o 72.262  4.0319  2914.99    314.307  2612.02    428.866  3266.55    461.973  67.219  5.9521  75.411  5.6981  -8.192314      8.239882  
1 1 1 -29 9   5  o 16.928  7.2696  25.848     239.568  -46.2655   310.721  131.552    376.188  17.891  7.9621  21.911  9.2478  -4.020086      12.20313  
1 1 1 -29 9   6  o 31.206  8.2809  614.331    284.524  227.207    406.183  987.279    398.677  23.784  9.7886  38.918  9.5333  -15.13411      13.66381  
1 1 1 -29 9   7  o 53.176  5.1466  1621.33    292.713  1321.97    404.903  1949.05    423.650  45.899  8.4563  57.074  7.0000  -11.17551      10.97766  
1 1 1 -29 9   8  o 31.454  7.8253  622.750    265.506  527.985    345.334  759.748    415.215  28.592  9.5233  33.393  10.381  -4.801161      14.08771  
1 1 1 -29 9   9  o 24.545  8.0497  372.917    247.081  326.260    307.797  457.462    414.338  23.855  8.8906  27.211  10.279  -3.355494      13.59077  
1 1 1 -29 9   10 o 28.640  7.7770  524.811    247.464  484.922    291.086  628.787    469.969  27.291  8.7201  30.114  11.028  -2.823135      14.05920  
1 1 1 -29 9   11 o 18.369  7.5013  126.266    236.233  81.000     277.011  246.967    452.339  18.490  7.8754  23.947  10.126  -5.456272      12.82767  
1 1 1 -29 9   12 o 50.759  5.1876  1502.56    281.193  1453.12    335.032  1620.36    517.219  48.974  6.4749  48.212  10.222  0.7623253      12.10021  
1 1 1 -29 9   13 o 69.805  4.5628  2793.92    343.076  2826.42    422.989  2731.44    586.514  69.158  5.6977  64.762  8.5723  4.396660       10.29310  
1 1 1 -29 9   14 o 49.545  5.8631  1471.35    308.526  1346.96    380.939  1708.51    525.996  45.590  8.0067  49.013  10.239  -3.422462      12.99749  
1 1 1 -29 9   15 o 65.290  4.4985  2456.15    316.174  2553.07    387.051  2261.76    548.141  65.620  5.4965  57.769  9.0584  7.850838       10.59551  
1 1 1 -29 9   16 o 15.984  6.9890  22.809     229.720  154.369    352.271  -74.5302   303.012  20.566  8.8231  16.563  7.5681  4.002453       11.62423  
1 1 1 -29 9   17 o 32.070  6.8615  661.962    231.132  539.078    327.833  783.413    325.916  27.299  9.2788  33.197  8.8877  -5.898594      12.84863  
1 1 1 -29 9   18 o 27.490  7.5361  510.974    231.075  621.229    329.601  404.402    324.048  28.917  9.2833  24.190  9.1012  4.727457       13.00039  
1 1 1 -29 9   19 o 35.592  6.6524  812.553    247.021  797.073    342.995  829.233    356.052  32.766  9.2564  33.239  9.4453  -0.4730682     13.22477  
1 1 1 -29 10  1  o 34.109  6.5516  695.809    233.247  867.732    301.576  439.859    367.965  37.597  7.6658  27.120  9.7845  10.47705       12.42986  
1 1 1 -29 10  2  o 26.489  8.3167  431.383    265.747  239.695    389.129  598.923    363.794  23.814  9.6646  30.540  9.7475  -6.725895      13.72654  
1 1 1 -29 10  3  o 13.665  6.4970  -282.1651  262.184  -501.6064  354.163  -16.0810   389.990  14.745  7.1475  20.276  8.9767  -5.531442      11.47467  
1 1 1 -29 10  4  o 76.340  3.9370  3249.20    324.418  3439.52    441.249  3025.28    478.621  77.678  5.2759  72.163  6.1833  5.515404       8.128237  
1 1 1 -29 10  5  o 55.458  4.7105  1742.48    280.271  1483.80    369.235  2094.14    430.510  49.828  7.0375  59.482  6.8047  -9.654442      9.789307  
1 1 1 -29 10  6  o 50.469  5.3516  1465.87    288.073  1491.22    387.897  1434.70    430.166  49.610  7.4490  47.818  8.6228  1.791935       11.39478  
1 1 1 -29 10  7  o 37.007  7.2111  836.723    278.647  1072.17    375.059  546.666    416.290  41.028  8.7095  29.210  10.422  11.81780       13.58183  
1 1 1 -29 10  8  o 62.216  4.4968  2192.84    300.985  2183.87    400.326  2204.52    456.499  60.952  6.1480  60.470  7.1054  0.4814796      9.395961  
1 1 1 -29 10  9  o 47.604  4.9499  1304.60    251.485  1237.60    290.411  1505.49    502.857  45.732  6.0085  47.126  10.151  -1.394039      11.79636  
1 1 1 -29 10  10 o 35.430  6.4939  764.250    240.017  865.689    276.978  458.439    480.917  37.378  7.1012  27.347  10.864  10.03185       12.97933  
1 1 1 -29 10  11 o 32.269  7.2404  656.154    246.833  611.960    289.230  774.626    473.553  30.439  8.4654  32.470  11.150  -2.031372      13.99978  
1 1 1 -29 10  12 o 15.105  6.8578  -79.9844   243.795  22.627     290.919  -322.0236  446.804  17.875  7.8392  17.970  8.5257  -0.9551048E-01 11.58190  
1 1 1 -29 10  13 o 28.932  8.4009  557.283    278.811  599.840    343.537  475.156    477.230  29.434  9.4804  27.110  10.806  2.323992       14.37545  
1 1 1 -29 10  14 o 37.835  7.4549  915.633    294.630  1279.45    366.043  246.260    496.507  44.504  7.8823  23.992  10.385  20.51209       13.03745  
1 1 1 -29 10  15 f 35.277  7.4625  804.421    276.230  715.735    338.391  981.543    478.220  31.824  9.2592  35.395  11.163  -3.570766      14.50330  
1 1 1 -29 10  16 o 30.808  8.3016  649.437    283.259  773.613    361.292  451.343    456.325  32.534  9.5966  25.873  10.478  6.661499       14.20838  
1 1 1 -29 10  17 o 25.793  8.0830  454.789    251.151  462.550    404.514  449.921    320.382  25.619  10.031  25.348  9.1321  0.2715912      13.56504  
1 1 1 -29 10  18 o 24.692  8.0493  419.378    247.198  188.674    384.110  582.482    322.969  21.103  9.1341  28.075  9.2030  -6.972662      12.96635  
1 1 1 -29 10  19 o 34.386  6.9634  770.657    250.453  619.803    352.902  923.740    355.500  28.496  9.6273  35.499  9.1782  -7.003059      13.30133  
1 1 1 -29 11  1  o 24.939  7.8860  378.014    238.541  598.288    307.512  45.212     377.984  30.649  8.8006  20.719  9.0143  9.930639       12.59795  
1 1 1 -29 11  2  o 23.235  8.0875  310.359    249.532  276.882    346.438  346.453    359.720  23.765  9.2888  25.231  9.5668  -1.465780      13.33436  
1 1 1 -29 11  3  o 36.495  7.0592  804.596    268.941  797.046    380.822  812.107    379.859  34.925  9.7140  35.280  9.6584  -0.3550873     13.69839  
1 1 1 -29 11  4  o 43.664  6.3356  1123.34    290.879  1130.79    396.348  1114.65    428.230  42.220  8.9454  41.374  9.7209  0.8459396      13.21047  
1 1 1 -29 11  5  o 28.152  7.8638  493.146    249.012  359.142    324.319  685.597    388.662  25.052  9.1633  32.271  10.046  -7.218565      13.59712  
1 1 1 -29 11  6  o 54.311  4.8896  1680.53    284.543  1862.24    372.435  1425.74    441.012  56.376  6.2019  47.408  8.9161  8.968536       10.86094  
1 1 1 -29 11  7  o 27.953  8.3090  494.047    270.014  514.326    359.955  467.952    408.314  28.380  9.7224  27.662  10.254  0.7188320      14.13013  
1 1 1 -29 11  8  o 17.413  7.0232  109.517    204.135  41.498     237.054  304.675    401.539  16.983  7.2605  24.632  9.8799  -7.649071      12.26085  
1 1 1 -29 11  9  o 46.626  5.2677  1262.47    261.358  1184.74    306.578  1469.21    499.992  44.346  6.5826  46.415  10.222  -2.068874      12.15812  
1 1 1 -29 11  10 o 59.395  4.5257  2013.38    288.952  2022.38    340.755  1990.36    545.158  58.902  5.4015  54.626  9.5624  4.275383       10.98253  
1 1 1 -29 11  11 o 42.082  5.8564  1055.15    259.698  1107.95    304.661  914.827    496.685  42.458  6.8589  34.884  11.412  7.573299       13.31428  
1 1 1 -29 11  12 f 27.661  8.0652  499.484    256.497  392.124    305.207  757.634    473.273  24.893  8.9190  32.003  11.138  -7.110378      14.26907  
1 1 1 -29 11  13 o 66.564  4.2436  2523.59    304.351  2466.08    358.624  2671.63    575.405  65.072  5.1300  64.083  8.4999  0.9887009      9.927961  
1 1 1 -29 11  14 o 35.066  7.5384  793.016    277.795  700.829    336.875  988.914    491.078  31.651  9.2469  35.612  11.321  -3.961153      14.61725  
1 1 1 -29 11  15 o 15.143  6.9311  -91.8969   255.599  -275.9296  313.233  274.837    442.177  14.858  7.0747  23.562  9.9896  -8.703991      12.24103  
1 1 1 -29 11  16 o 15.594  7.0605  -52.7288   256.305  -197.7677  319.158  210.695    430.122  15.652  7.3586  22.364  9.6729  -6.712708      12.15383  
1 1 1 -29 11  17 o 16.733  7.1997  63.664     235.796  34.387     363.679  84.898     309.716  19.020  8.5281  18.666  8.1397  0.3544407      11.78911  
1 1 1 -29 11  18 o 21.848  7.9032  309.344    240.298  351.651    365.006  276.982    319.239  23.344  9.3999  21.723  8.7755  1.620468       12.85952  
1 1 1 -29 11  19 o 12.591  5.9978  -211.0659  225.597  -184.8322  319.730  -237.0748  318.358  15.565  7.3323  15.049  7.1562  0.5159531      10.24565  
1 1 1 -29 12  1  o 30.460  7.6206  575.342    250.786  674.192    342.213  460.670    368.584  32.255  9.2903  27.466  9.8056  4.789019       13.50778  
1 1 1 -29 12  2  o 24.149  7.8957  349.426    237.786  405.687    315.124  275.032    362.364  26.007  9.0865  23.930  9.4549  2.077034       13.11328  
1 1 1 -29 12  3  o 21.399  8.0487  232.735    253.400  207.844    331.655  267.644    392.772  22.266  8.9622  24.259  9.7569  -1.992081      13.24836  
1 1 1 -29 12  4  o 57.343  4.9778  1872.29    306.099  1780.79    415.485  1980.90    452.682  54.503  7.2156  57.331  7.4674  -2.827560      10.38396  
1 1 1 -29 12  5  o 44.961  5.7745  1177.11    274.708  952.572    365.341  1469.22    416.697  38.587  8.9200  48.732  8.1849  -10.14479      12.10615  
1 1 1 -29 12  6  o 44.007  5.8162  1131.40    270.429  1102.87    350.567  1173.32    424.972  42.166  7.9681  42.446  9.4829  -0.2801208     12.38611  
1 1 1 -29 12  7  o 32.421  7.8773  660.994    273.885  875.447    364.538  383.039    415.015  36.590  9.2061  26.183  10.185  10.40675       13.72933  
1 1 1 -29 12  8  o 34.038  6.2934  696.246    223.470  720.165    253.090  611.625    476.036  34.220  7.0627  30.228  11.095  3.991961       13.15196  
1 1 1 -29 12  9  o 22.096  7.6332  288.967    222.085  293.774    253.875  273.300    458.361  22.513  8.1266  24.649  10.293  -2.135635      13.11444  
1 1 1 -29 12  10 o 16.620  7.0256  59.595     217.659  11.687     247.438  223.468    457.630  16.634  7.2639  23.795  10.128  -7.161188      12.46375  
1 1 1 -29 12  11 o 38.571  1.8878  812.837    78.863   694.035    286.048  822.610    82.042   32.635  8.1243  38.740  1.9617  -6.105228      8.357755  
1 1 1 -29 12  12 o 39.525  6.1309  942.777    253.963  1006.70    295.929  764.114    494.731  40.237  7.0472  31.975  11.366  8.261965       13.37360  
1 1 1 -29 12  13 o 31.688  7.5550  646.886    255.642  553.207    300.629  891.532    485.825  28.598  8.8240  34.146  11.292  -5.547689      14.33069  
1 1 1 -29 12  14 o 24.792  8.5407  402.105    277.932  685.841    343.269  -137.8979  473.561  31.202  9.3900  19.756  9.1809  11.44584       13.13241  
1 1 1 -29 12  15 o 18.874  7.8296  138.885    262.710  -115.1691  317.776  687.412    466.936  16.560  7.6342  29.969  10.990  -13.40837      13.38123  
1 1 1 -29 12  16 o 17.772  7.6701  73.348     269.276  109.115    342.587  15.533     435.569  19.743  8.5859  20.209  9.1716  -0.4654903     12.56328  
1 1 1 -29 12  17 o 21.185  8.1406  268.062    262.641  488.905    403.665  105.940    345.859  26.039  10.069  19.602  8.5734  6.436977       13.22417  
1 1 1 -29 12  18 o 24.306  8.0878  405.699    249.096  221.725    381.725  542.141    328.735  21.509  9.2049  27.078  9.2908  -5.569550      13.07859  
1 1 1 -29 12  19 o 28.128  8.4758  564.708    279.550  636.423    343.319  423.609    481.564  28.976  9.4880  24.870  10.478  4.105787       14.13548  
1 1 1 -29 13  1  o 21.930  8.2338  250.420    264.963  421.999    364.958  59.183     385.299  26.627  9.7232  21.001  9.1191  5.625393       13.33042  
1 1 1 -29 13  2  o 47.572  5.5212  1307.95    279.191  1165.97    373.232  1488.32    420.685  43.276  8.2642  49.059  8.2070  -5.783367      11.64693  
1 1 1 -29 13  3  o 42.417  5.7251  1047.32    256.301  1143.20    324.875  889.294    417.094  43.559  7.1330  36.523  10.169  7.035427       12.42111  
1 1 1 -29 13  4  f 45.701  6.0151  1222.27    290.507  1486.73    392.543  902.041    431.957  49.470  7.5667  36.615  10.403  12.85541       12.86386  
1 1 1 -29 13  5  o 28.591  8.0072  512.358    257.827  450.529    337.535  598.969    399.490  27.038  9.4064  30.314  10.243  -3.276129      13.90690  
1 1 1 -29 13  6  f 20.856  7.9254  217.690    247.216  287.026    317.330  110.637    394.306  23.384  8.9569  21.798  9.3428  1.585503       12.94273  
1 1 1 -29 13  7  o 29.556  7.4964  545.332    240.334  721.938    295.056  197.148    414.291  33.723  8.1653  23.254  9.7537  10.46845       12.72034  
1 1 1 -29 13  8  f 41.213  5.8742  1002.77    254.790  865.844    298.013  1374.79    491.215  37.216  7.6489  44.897  10.318  -7.680958      12.84377  
1 1 1 -29 13  9  o 43.496  5.8727  1120.03    269.596  1272.07    320.161  749.474    499.828  45.882  6.6353  32.270  11.430  13.61171       13.21597  
1 1 1 -29 13  10 o 52.443  2.5884  1513.51    147.023  1690.32    312.751  1463.36    166.577  53.761  5.4462  51.342  3.0086  2.419353       6.221961  
1 1 1 -29 13  11 o 22.797  8.2747  309.488    263.743  505.262    318.530  -117.3915  470.356  27.546  9.1449  20.193  9.3011  7.353477       13.04374  
1 1 1 -29 13  12 o 41.123  6.2334  1022.84    268.935  1092.26    318.959  852.143    500.198  41.731  7.3238  33.496  11.461  8.235718       13.60122  
1 1 1 -29 13  13 o 31.363  7.3026  628.106    243.435  319.983    280.840  1559.22    488.200  23.021  8.5096  47.399  9.8319  -24.37835      13.00301  
1 1 1 -29 13  14 o 40.839  6.5207  1028.18    278.727  1194.29    335.479  657.951    500.836  43.341  7.4130  29.640  11.276  13.70122       13.49481  
1 1 1 -29 13  15 o 19.202  7.9749  146.713    273.013  127.246    336.263  184.366    467.658  20.034  8.6083  22.694  9.9464  -2.660484      13.15421  
1 1 1 -29 13  16 o 7.9784  2.8454  30.696     31.028   187.785    323.847  29.240     31.172   20.596  8.6304  7.8852  2.8474  12.71097       9.088024  
1 1 1 -29 13  17 o 22.014  7.8800  310.862    238.184  319.772    355.048  303.570    321.180  22.949  9.2603  22.397  8.8848  0.5521622      12.83326  
1 1 1 -29 13  18 o 33.151  7.1568  722.732    249.445  511.880    340.685  966.400    366.238  26.348  9.4250  36.306  9.2786  -9.958282      13.22586  
1 1 1 -29 13  19 o 17.250  7.4972  68.130     260.894  -46.6033   327.229  268.302    432.226  17.172  7.8532  22.564  9.7281  -5.392746      12.50235  
1 1 1 -29 14  1  o 24.037  8.1889  343.858    255.343  357.865    336.883  324.947    391.448  25.067  9.3093  25.064  9.8510  0.3343582E-02  13.55374  
1 1 1 -29 14  2  o 23.559  8.6387  309.536    288.505  592.099    376.422  -92.7878   449.164  30.196  9.9372  20.603  9.3358  9.592829       13.63470  
1 1 1 -29 14  3  o 44.865  5.4468  1163.69    259.247  1133.65    328.516  1213.28    422.087  43.259  7.2693  43.431  9.2560  -0.1717072     11.76927  
1 1 1 -29 14  4  o 42.809  5.7813  1069.44    261.204  947.030    327.843  1282.21    432.222  39.001  8.0286  44.672  9.2381  -5.671082      12.23931  
1 1 1 -29 14  5  o 45.181  5.7636  1190.39    275.623  1374.04    356.720  918.330    434.175  47.750  7.1146  36.811  10.420  10.93951       12.61693  
1 1 1 -29 14  6  o 59.299  4.6078  1994.20    293.624  2151.39    382.065  1767.41    458.912  60.770  5.8781  53.324  8.2091  7.445858       10.09656  
1 1 1 -29 14  7  o 43.484  5.2336  1094.34    241.544  1217.69    277.418  707.793    491.105  45.611  5.7429  32.010  11.330  13.60045       12.70261  
1 1 1 -29 14  8  o 52.820  4.4660  1586.16    253.103  1667.99    289.548  1321.07    521.122  53.842  5.0231  43.173  11.087  10.66909       12.17162  
1 1 1 -29 14  9  o 25.599  7.7846  415.061    235.030  533.904    271.418  58.841     469.909  28.687  8.2770  22.118  9.8197  6.569479       12.84270  
1 1 1 -29 14  10 o 31.400  7.6760  630.607    258.862  552.161    306.885  824.086    481.958  28.800  8.9202  33.432  11.251  -4.631887      14.35810  
1 1 1 -29 14  11 o 13.797  6.3756  -129.4287  223.643  -182.6220  257.180  35.561     452.936  14.287  6.6812  21.393  9.5599  -7.106188      11.66315  
1 1 1 -29 14  12 o 22.324  7.8227  302.342    233.649  399.363    269.260  6.6015     470.106  24.939  8.4095  21.290  9.6077  3.648573       12.76825  
1 1 1 -29 14  13 o 21.249  7.8874  259.405    241.774  310.945    281.860  115.874    470.362  22.820  8.5072  22.315  9.8698  0.5053043      13.03014  
1 1 1 -29 14  14 o 12.499  6.1030  -416.1129  271.437  -191.8801  341.059  -803.5338  448.303  16.433  7.6876  14.884  7.3770  1.548697       10.65460  
1 1 1 -29 14  15 o 13.828  6.5481  -220.5057  261.161  -191.7639  317.135  -281.0664  460.344  15.725  7.3744  18.196  8.6389  -2.471250      11.35836  
1 1 1 -29 14  16 o 46.566  6.4928  1349.37    318.558  1714.66    415.436  828.045    496.289  51.273  7.7201  31.740  11.373  19.53279       13.74596  
1 1 1 -29 14  17 o 46.075  6.1270  1311.28    298.181  1263.40    371.167  1398.42    500.727  43.197  8.2337  42.182  10.886  1.015274       13.64938  
1 1 1 -29 14  18 o 26.545  7.7022  481.106    234.440  514.337    331.580  447.888    331.517  26.450  9.3156  25.048  9.2482  1.402069       13.12664  
1 1 1 -29 14  19 o 25.411  8.6557  459.709    285.289  444.935    365.779  482.654    455.848  24.906  9.5973  25.612  10.435  -0.7054157     14.17744  
1 1 1 -29 15  1  o 60.983  4.5746  2105.50    299.953  2003.13    391.850  2250.39    466.156  58.365  6.2985  61.209  7.1672  -2.843945      9.541427  
1 1 1 -29 15  2  o 33.512  7.2772  689.624    256.573  675.069    321.407  715.194    426.000  32.360  8.8947  32.611  10.563  -0.2502937     13.80897  
1 1 1 -29 15  3  o 23.702  8.3530  326.572    266.642  291.082    358.093  370.737    399.469  24.051  9.4319  25.947  10.021  -1.895090      13.76136  
1 1 1 -29 15  4  o 24.082  8.0714  347.747    248.033  119.255    301.379  827.358    436.638  20.044  8.3563  34.864  10.612  -14.81965      13.50742  
1 1 1 -29 15  5  o 27.079  7.8749  458.214    244.825  509.067    309.317  372.923    400.588  28.259  8.9848  25.928  10.029  2.330833       13.46490  
1 1 1 -29 15  6  o 29.754  7.0480  545.121    223.637  478.430    266.576  703.580    410.909  27.508  8.2740  32.257  10.366  -4.748945      13.26343  
1 1 1 -29 15  7  o 76.776  3.7272  3285.50    309.940  3274.72    359.895  3316.43    609.789  76.127  4.3833  73.460  7.7825  2.667053       8.932046  
1 1 1 -29 15  8  o 84.775  3.5095  3998.30    322.238  4032.75    370.786  3891.96    651.387  84.775  4.0382  79.536  7.6560  5.238548       8.655690  
1 1 1 -29 15  9  o 54.963  4.3725  1718.83    258.143  1676.24    294.339  1860.76    537.310  53.806  5.1120  52.597  9.7920  1.208565       11.04612  
1 1 1 -29 15  10 o 16.648  7.0808  53.766     223.361  -206.7300  256.092  881.912    456.614  14.002  6.5859  34.759  10.900  -20.75626      12.73496  
1 1 1 -29 15  11 o 22.670  7.7485  314.562    228.624  272.111    261.083  454.153    473.440  21.904  8.1833  27.013  10.765  -5.109039      13.52187  
1 1 1 -29 15  12 o 44.370  2.3329  1084.06    111.720  1147.23    335.802  1076.20    118.469  42.592  7.5559  44.158  2.4871  -1.565968      7.954665  
1 1 1 -29 15  13 o 60.877  4.8866  2148.74    319.488  2185.72    388.350  2071.29    561.981  60.402  6.0161  54.746  9.8394  5.656853       11.53287  
1 1 1 -29 15  14 o 14.787  6.7608  -91.2840   242.308  -15.3058   285.307  -287.9098  458.975  17.023  7.5987  18.246  8.6522  -1.223131      11.51529  
1 1 1 -29 15  15 o 35.987  7.7987  852.789    295.198  851.934    363.802  854.435    505.082  34.471  9.4584  32.448  11.490  2.022762       14.88210  
1 1 1 -29 15  16 o 24.682  8.4127  411.772    269.496  302.476    328.224  637.906    472.120  22.583  8.9744  28.664  10.938  -6.080780      14.14850  
1 1 1 -29 15  17 o 20.515  8.0312  239.406    259.299  36.547     318.073  641.342    447.721  18.136  8.0642  28.506  10.703  -10.36958      13.40110  
1 1 1 -29 15  18 o 45.432  2.0069  1134.12    98.757   1046.36    347.463  1141.83    103.006  38.731  8.5149  45.559  2.0874  -6.828773      8.766995  
1 1 1 -29 15  19 o 41.995  8.2721  1213.36    362.869  1213.36    362.869  0.0000     0.0000   41.995  8.2721  ?       ?       0.000000       8.272058  
1 1 1 -29 16  1  o 46.457  5.8083  1261.38    285.875  1448.75    371.197  988.253    448.170  48.909  7.2247  38.014  10.526  10.89543       12.76646  
1 1 1 -29 16  2  o 39.810  6.7797  953.417    281.856  767.933    357.708  1257.16    457.751  34.209  9.3756  43.579  9.9206  -9.369942      13.64997  
1 1 1 -29 16  3  o 30.376  7.9234  579.908    263.406  550.491    334.407  627.994    427.548  29.228  9.3473  30.807  10.594  -1.579567      14.12819  
1 1 1 -29 16  4  o 32.558  7.6644  660.694    265.794  589.462    330.323  791.513    447.652  30.144  9.2411  33.980  10.809  -3.836088      14.22104  
1 1 1 -29 16  5  o 54.565  4.7094  1693.86    275.600  1780.73    351.395  1555.01    444.243  55.172  5.9759  49.675  8.5663  5.497372       10.44476  
1 1 1 -29 16  6  o 63.373  4.0469  2256.04    276.330  2173.05    318.261  2510.21    556.975  61.747  4.7964  63.440  8.3054  -1.692390      9.590928  
1 1 1 -29 16  7  o 41.555  5.5020  1009.34    241.548  1126.17    276.862  637.024    494.262  43.626  6.0197  30.621  11.295  13.00480       12.79895  
1 1 1 -29 16  8  o 18.794  7.4807  149.876    228.394  136.330    263.250  191.112    459.292  19.280  7.9011  23.576  10.093  -4.295643      12.81815  
1 1 1 -29 16  9  o 43.613  5.1830  1107.86    240.035  1066.98    272.882  1247.66    504.640  42.211  6.1493  41.557  11.029  0.6549416      12.62718  
1 1 1 -29 16  10 o 24.572  7.9841  382.459    243.284  559.692    284.318  -102.0743  470.103  29.125  8.4910  20.359  9.3484  8.765974       12.62896  
1 1 1 -29 16  11 o 38.508  6.6520  909.461    267.409  1157.94    317.587  304.163    495.686  43.277  7.0156  25.100  10.606  18.17668       12.71614  
1 1 1 -29 16  12 o 46.960  5.2673  1293.09    263.293  1290.94    305.624  1299.29    518.531  46.217  6.2670  41.718  11.228  4.499390       12.85861  
1 1 1 -29 16  13 o 37.986  6.6059  891.610    261.916  1000.15    307.088  601.936    501.688  39.666  7.4206  28.929  11.214  10.73707       13.44674  
1 1 1 -29 16  14 o 20.856  8.1019  236.047    262.316  223.339    314.728  264.958    474.727  21.330  8.6783  23.889  10.245  -2.559341      13.42696  
1 1 1 -29 16  15 o 19.823  7.9711  192.559    262.086  304.841    314.706  -61.5560   473.439  22.649  8.8530  20.188  9.3105  2.461016       12.84764  
1 1 1 -29 16  16 o 19.558  7.9645  181.904    265.369  -2.7918    324.017  558.180    462.479  17.865  8.0273  27.374  10.723  -9.508986      13.39496  
1 1 1 -29 16  17 o ?       ?       -225.8157  33.910   -91.9461   315.874  -227.3765  34.107   16.527  7.6162  ?       ?       0.000000       7.616221  
1 1 1 -29 16  18 o 14.152  6.6231  -151.1447  253.539  -276.2688  312.571  89.540     433.513  14.591  6.9806  20.590  9.2651  -5.998913      11.60046  
1 1 1 -29 16  19 o 19.168  8.3278  117.764    321.675  117.764    321.675  0.0000     0.0000   19.168  8.3278  ?       ?       0.000000       8.327796  
1 1 1 -29 17  1  o 50.397  5.6563  1478.20    303.422  1618.02    405.594  1300.51    457.241  51.481  7.4940  44.338  9.7837  7.143284       12.32397  
1 1 1 -29 17  2  o 24.676  8.4120  368.340    269.448  607.504    340.313  -33.4988   441.120  30.486  9.3854  20.946  9.3919  9.540121       13.27754  
1 1 1 -29 17  3  o 50.062  5.2207  1442.74    278.914  1233.51    332.349  1941.07    512.906  45.208  7.0148  55.369  8.8507  -10.16081      11.29347  
1 1 1 -29 17  4  o 55.303  5.2389  1759.16    310.061  1865.67    405.754  1609.67    480.695  55.855  6.8506  50.020  9.2121  5.835056       11.48019  
1 1 1 -29 17  5  o 12.740  5.8347  -99.9344   181.517  -85.2095   205.602  -151.9714  386.506  13.897  6.3048  18.455  8.4750  -4.558250      10.56289  
1 1 1 -29 17  6  o 49.897  4.5919  1418.02    245.374  1427.91    279.267  1384.56    513.877  49.693  5.2690  44.762  10.737  4.931721       11.96046  
1 1 1 -29 17  7  o 49.611  4.8351  1411.99    256.503  1266.75    295.622  1854.42    515.958  46.257  6.0452  53.342  9.2667  -7.085388      11.06418  
1 1 1 -29 17  8  o 36.406  6.2708  798.711    238.343  618.681    272.771  1379.92    490.107  30.992  8.0528  44.673  10.335  -13.68095      13.10155  
1 1 1 -29 17  9  o 24.711  8.1792  385.139    254.878  474.489    302.757  167.734    472.261  26.956  8.9140  23.308  10.108  3.647949       13.47724  
1 1 1 -29 17  10 f 43.033  5.6169  1094.53    255.553  1192.35    296.248  810.038    505.209  44.460  6.3308  32.931  11.505  11.52920       13.13188  
1 1 1 -29 17  11 o 39.486  6.2653  944.017    259.001  801.110    301.120  1350.36    507.763  35.114  8.0847  43.147  10.870  -8.033436      13.54713  
1 1 1 -29 17  12 o 20.905  1.7737  240.294    39.780   252.252    279.429  240.047    40.190   21.601  8.3701  20.890  1.7936  0.7105942      8.560156  
1 1 1 -29 17  13 o 27.129  8.2130  488.823    262.039  464.165    310.466  549.891    488.591  26.300  9.0286  28.061  11.013  -1.760082      14.24091  
1 1 1 -29 17  14 o 20.622  7.8968  235.437    246.613  325.467    288.828  -6.7984    473.767  23.023  8.6060  20.885  9.5119  2.137569       12.82727  
1 1 1 -29 17  15 o 24.778  1.5205  336.101    40.608   154.979    352.484  338.538    40.880   20.630  8.8375  24.867  1.5252  -4.236753      8.968167  
1 1 1 -29 17  16 o 12.115  5.8841  -335.2333  243.204  -391.9492  286.919  -190.4734  458.385  13.038  6.3461  18.671  8.7907  -5.632586      10.84197  
1 1 1 -29 17  17 o 21.472  8.0299  287.238    251.513  455.432    302.659  -88.1526   452.156  25.414  8.9035  19.259  8.9569  6.155384       12.62929  
1 1 1 -29 17  18 o 14.932  6.9287  -119.6615  268.116  18.905     338.786  -351.9096  438.604  18.236  8.1997  16.894  8.1308  1.342014       11.54752  
1 1 1 -29 18  1  o 33.466  7.7247  702.439    274.322  732.068    352.763  657.110    436.323  33.243  9.3859  31.152  10.703  2.091906       14.23532  
1 1 1 -29 18  2  o 67.942  4.4672  2610.40    326.896  2316.60    439.046  2975.90    489.692  62.466  6.5887  70.995  6.4383  -8.529339      9.212122  
1 1 1 -29 18  3  o 56.552  4.8467  1825.06    294.003  1850.56    374.160  1783.92    475.332  56.014  6.2751  53.245  8.5303  2.768902       10.58980  
1 1 1 -29 18  4  o 34.248  7.4480  727.552    268.408  622.239    342.249  895.810    432.602  30.757  9.4026  36.119  10.458  -5.362514      14.06317  
1 1 1 -29 18  5  o 45.418  4.9109  1184.41    237.736  1154.83    270.467  1284.94    498.549  44.382  5.7625  43.116  10.721  1.265690       12.17157  
1 1 1 -29 18  6  o 51.293  4.4647  1495.29    245.564  1521.22    278.796  1405.53    518.629  51.392  5.0749  44.969  10.787  6.423832       11.92099  
1 1 1 -29 18  7  o 17.092  7.1217  78.738     218.729  154.795    249.353  -175.1005  455.539  19.361  7.7787  19.620  9.0780  -0.2584476     11.95483  
1 1 1 -29 18  8  o 14.776  6.6985  -80.4105   231.526  -115.0472  269.013  18.540     454.689  15.515  7.1047  21.402  9.5701  -5.887120      11.91905  
1 1 1 -29 18  9  o 23.137  8.1022  325.209    250.618  299.925    296.473  388.512    469.111  22.965  8.6905  26.140  10.610  -3.175274      13.71519  
1 1 1 -29 18  10 o 13.966  6.5161  -168.6168  242.351  -81.3481   286.796  -386.5648  453.231  16.397  7.4420  17.684  8.4450  -1.286104      11.25617  
1 1 1 -29 18  11 o 14.455  6.5971  -93.2808   229.381  -67.1639   264.092  -173.5037  462.853  15.895  7.1845  19.507  9.0689  -3.611825      11.56986  
1 1 1 -29 18  12 o 18.212  7.7512  83.512     267.980  473.675    325.638  -735.1057  471.686  26.645  9.2409  15.845  7.7993  10.80020       12.09226  
1 1 1 -29 18  13 o 32.437  7.2779  673.063    249.405  496.505    287.854  1204.71    499.505  27.145  8.6714  39.807  11.144  -12.66240      14.12034  
1 1 1 -29 18  14 o 27.021  8.5164  494.510    278.377  615.442    339.163  244.856    487.311  29.477  9.4121  23.721  10.278  5.755486       13.93634  
1 1 1 -29 18  15 o 22.593  8.1303  323.223    253.874  389.610    298.533  149.785    482.530  24.285  8.8052  22.370  9.9403  1.914772       13.27936  
1 1 1 -29 18  16 o 18.076  7.5914  117.229    251.476  162.417    295.654  -0.9956    478.222  19.674  8.2453  20.607  9.4498  -0.9326935     12.54127  
1 1 1 -29 18  17 o 18.710  7.7880  147.971    261.201  200.662    319.238  41.256     454.316  20.514  8.5803  20.469  9.3193  0.4496765E-01  12.66768  
1 1 1 -29 18  18 o 19.534  7.9149  194.664    260.545  193.433    318.467  197.154    453.086  20.331  8.5408  22.026  9.7171  -1.695017      12.93704  
1 1 1 -29 19  1  o 30.352  8.0045  586.308    266.915  608.179    349.595  555.739    413.300  30.285  9.5437  29.108  10.384  1.177759       14.10373  
1 1 1 -29 19  2  o 18.463  7.7406  89.223     260.743  128.667    330.023  23.701     425.351  20.675  8.6903  21.176  9.3749  -0.5010815     12.78322  
1 1 1 -29 19  3  o 34.814  7.5054  753.830    274.677  620.161    360.298  939.327    424.439  30.573  9.6945  37.089  10.233  -6.515850      14.09567  
1 1 1 -29 19  4  o 80.532  3.3391  3593.83    291.246  3686.01    348.196  3379.10    531.423  81.184  3.9599  75.461  6.5675  5.722839       7.668911  
1 1 1 -29 19  5  o 60.629  3.8798  2061.95    253.443  2029.20    286.494  2179.83    543.535  59.819  4.4538  58.408  8.8708  1.411160       9.926110  
1 1 1 -29 19  6  o 42.075  5.3947  1032.81    240.181  948.727    273.771  1313.75    500.450  39.616  6.6136  43.396  10.712  -3.780685      12.58912  
1 1 1 -29 19  7  o 61.697  4.0912  2148.35    271.841  2155.70    310.738  2124.41    561.139  61.405  4.7081  56.774  9.4582  4.630970       10.56519  
1 1 1 -29 19  8  f 26.852  7.9543  462.507    247.771  442.372    290.666  516.027    473.886  26.214  8.7373  28.199  10.908  -1.984905      13.97559  
1 1 1 -29 19  9  o 34.872  2.4653  671.511    92.515   1083.95    279.344  620.700    98.048   42.426  6.2677  33.446  2.7304  8.980019       6.836629  
1 1 1 -29 19  10 o 40.536  5.7322  976.224    244.651  1100.07    279.662  572.397    504.993  42.746  6.2231  28.977  11.246  13.76849       12.85266  
1 1 1 -29 19  11 o 24.509  8.1539  382.448    253.188  320.381    296.689  548.784    485.697  23.278  8.7182  28.425  11.029  -5.147799      14.05898  
1 1 1 -29 19  12 o 43.293  1.9443  1025.30    91.171   767.399    305.766  1050.47    95.516   34.019  8.3584  43.805  2.0131  -9.785976      8.597385  
1 1 1 -29 19  13 o 43.525  5.6624  1131.43    260.620  1138.00    300.627  1111.58    522.864  42.904  6.6874  37.520  11.647  5.383614       13.43040  
1 1 1 -29 19  14 o 21.424  8.0323  269.487    251.977  147.908    295.573  592.864    482.049  19.670  8.2439  28.421  10.999  -8.750916      13.74561  
1 1 1 -29 19  15 o 46.067  2.5186  1175.54    125.190  1368.24    379.310  1151.98    132.621  45.585  7.9728  45.525  2.7017  0.6065369E-01  8.418092  
1 1 1 -29 19  16 o 15.766  7.0916  -30.4231   253.688  -55.1512   299.741  32.017     476.304  16.633  7.5716  20.869  9.5171  -4.235777      12.16164  
1 1 1 -29 19  17 o 17.185  7.4185  71.596     252.022  37.867     304.113  145.546    450.298  17.813  7.9045  21.471  9.5679  -3.658051      12.41069  
1 1 1 -29 19  18 o 28.261  9.4323  597.141    338.710  597.141    338.710  0.0000     0.0000   28.261  9.4323  ?       ?       0.000000       9.432332  
1 1 1 -29 20  1  o 45.705  5.8352  1229.37    282.269  1263.34    350.356  1166.53    476.505  45.307  7.3948  40.901  10.651  4.405769       12.96649  
1 1 1 -29 20  2  o 90.968  3.8305  4621.58    377.408  4864.47    508.745  4324.31    562.813  92.119  5.1191  85.862  6.0914  6.256668       7.956835  
1 1 1 -29 20  3  f 67.493  3.4658  2535.92    252.504  2530.83    295.933  2549.54    484.184  67.067  4.0935  65.077  6.9782  1.990768       8.090260  
1 1 1 -29 20  4  o 15.667  6.7385  21.672     206.417  9.4185     227.076  79.974     495.306  16.103  6.9964  22.981  10.148  -6.878670      12.32617  
1 1 1 -29 20  5  o 16.720  6.9912  68.589     211.844  148.909    240.154  -213.1046  449.743  19.075  7.6445  19.208  8.9330  -0.1322803     11.75743  
1 1 1 -29 20  6  o 65.314  3.8532  2394.57    271.375  2342.92    308.506  2571.22    570.551  64.221  4.4629  63.667  8.4851  0.5541191      9.587252  
1 1 1 -29 20  7  o 78.378  3.6193  3428.27    307.250  3523.60    352.461  3126.56    627.048  79.012  4.1329  70.160  8.4199  8.852554       9.379535  
1 1 1 -29 20  8  o 17.572  7.3318  88.633     232.285  59.260     268.908  174.975    461.043  17.980  7.7112  23.241  10.033  -5.260996      12.65431  
1 1 1 -29 20  9  o 15.442  6.8178  -16.2215   223.451  -39.7040   255.380  60.469     461.516  16.062  7.1780  21.855  9.7160  -5.792988      12.07989  
1 1 1 -29 20  10 o 3.6144  1.8280  -119.6598  35.007   -190.0977  248.998  -118.2394  35.359   13.933  6.5344  3.6641  1.8512  10.26932       6.791556  
1 1 1 -29 20  11 o 46.444  5.4156  1269.34    267.306  1320.66    310.098  1120.92    527.335  46.769  6.2804  38.166  11.672  8.602844       13.25438  
1 1 1 -29 20  12 o 22.776  7.8644  322.168    235.726  392.214    270.192  98.951     482.332  24.662  8.4235  22.309  9.9247  2.352623       13.01745  
1 1 1 -29 20  13 o 55.316  5.2517  1798.33    310.877  1745.71    374.736  1914.50    556.750  53.298  6.6352  51.887  10.270  1.411236       12.22726  
1 1 1 -29 20  14 o 25.783  8.1604  444.069    255.383  508.875    299.342  270.738    489.549  27.178  8.8576  23.961  10.341  3.217384       13.61628  
1 1 1 -29 20  15 o 17.637  7.4063  103.502    239.329  32.020     276.173  319.071    479.594  17.310  7.6136  24.230  10.342  -6.920038      12.84242  
1 1 1 -29 20  16 o 20.431  8.1236  226.326    269.075  166.679    322.578  362.749    487.848  20.149  8.5370  24.598  10.463  -4.448534      13.50407  
1 1 1 -29 20  17 o 35.610  7.5421  843.202    281.843  840.649    340.413  848.767    502.566  34.071  9.0658  31.435  11.421  2.635124       14.58139  
1 1 1 -29 20  18 o 19.396  8.4567  115.054    334.176  115.054    334.176  0.0000     0.0000   19.396  8.4567  ?       ?       0.000000       8.456675  
1 1 1 -29 21  1  o 53.032  4.9075  1615.63    278.690  1554.94    344.306  1730.95    474.591  51.055  6.3646  51.925  8.7497  -0.8696785     10.81965  
1 1 1 -29 21  2  o 19.101  7.9556  112.341    272.809  12.793     323.529  357.291    507.499  18.752  8.2443  26.422  10.915  -7.670425      13.67860  
1 1 1 -29 21  3  f 42.841  5.2326  1065.49    237.750  1133.70    266.382  798.372    527.137  43.921  5.7367  33.268  11.743  10.65351       13.06889  
1 1 1 -29 21  4  o 47.473  4.7731  1292.04    242.095  1239.00    269.870  1510.68    547.894  46.060  5.5195  46.291  11.076  -0.2311325     12.37515  
1 1 1 -29 21  5  o 21.753  7.6542  275.107    223.808  392.674    256.887  -95.2381   455.934  25.044  8.2076  20.373  9.2991  4.670370       12.40311  
1 1 1 -29 21  6  f 20.231  7.4264  223.186    213.299  235.560    239.864  176.420    466.308  20.924  7.8385  23.448  10.107  -2.524694      12.79019  
1 1 1 -29 21  7  o 39.397  5.8821  923.466    243.307  935.491    279.222  885.531    495.925  39.063  6.8492  34.635  11.406  4.428661       13.30481  
1 1 1 -29 21  8  o 26.000  7.5865  429.936    226.877  453.760    257.353  346.841    480.635  26.521  8.1611  25.664  10.614  0.8570671      13.38853  
1 1 1 -29 21  9  o 20.296  7.7201  216.032    234.714  264.542    270.963  70.237     469.747  21.894  8.3027  22.099  9.8144  -0.2044411     12.85524  
1 1 1 -29 21  10 f 27.973  7.4436  499.927    229.480  380.495    259.640  926.273    490.562  24.501  8.2579  35.102  11.331  -10.60029      14.02115  
1 1 1 -29 21  11 o 40.816  6.0482  1002.98    259.287  769.984    300.336  1684.84    513.789  34.256  8.2032  49.345  9.9567  -15.08876      12.90068  
1 1 1 -29 21  12 o 40.908  6.3585  1021.98    272.582  1060.44    321.217  923.057    515.229  40.784  7.5498  34.288  11.632  6.495823       13.86771  
1 1 1 -29 21  13 o 45.910  5.8005  1264.50    281.998  1165.25    332.609  1518.22    531.812  42.767  7.4514  45.092  10.989  -2.324894      13.27744  
1 1 1 -29 21  14 o 44.424  5.9362  1196.99    278.479  1178.93    328.176  1243.44    526.334  42.955  7.3161  39.392  11.573  3.562138       13.69121  
1 1 1 -29 21  15 o 30.327  7.5400  607.847    246.612  652.402    283.249  468.260    501.352  30.871  8.2942  26.256  10.848  4.615170       13.65525  
1 1 1 -29 21  16 o 49.353  5.3645  1458.87    282.135  1442.12    329.588  1504.81    545.783  48.039  6.5015  43.079  11.487  4.959740       13.19924  
1 1 1 -29 21  17 o 21.088  8.2301  263.459    271.655  226.534    330.834  339.882    475.957  21.067  8.7666  23.987  10.272  -2.920628      13.50466  
1 1 1 -29 21  18 o 28.463  9.5628  611.017    348.171  611.017    348.171  0.0000     0.0000   28.463  9.5628  ?       ?       0.000000       9.562844  
1 1 1 -29 22  1  f 24.992  8.0575  392.492    248.107  495.926    299.992  168.598    441.368  27.604  8.8559  23.004  9.8729  4.599842       13.26277  
1 1 1 -29 22  2  o 26.041  7.1713  423.498    208.694  326.522    234.537  792.227    457.335  23.202  7.8484  33.372  10.952  -10.17008      13.47374  
1 1 1 -29 22  3  o 37.076  5.7089  812.584    221.896  727.314    245.660  1190.46    517.143  34.442  6.8265  40.545  11.335  -6.103077      13.23198  
1 1 1 -29 22  4  o 31.387  6.8053  606.704    224.683  564.341    249.162  791.072    519.795  29.822  7.6703  33.008  11.659  -3.185364      13.95620  
1 1 1 -29 22  5  o 38.000  5.8715  858.203    233.870  764.675    263.939  1199.96    504.536  35.082  7.1878  40.814  11.114  -5.731678      13.23549  
1 1 1 -29 22  6  o 57.731  4.3852  1895.17    272.153  1957.17    314.356  1709.64    543.783  58.242  5.0328  49.751  10.425  8.490192       11.57623  
1 1 1 -29 22  7  o 28.921  7.1995  526.391    224.637  533.298    253.616  501.246    483.933  28.782  7.8971  27.983  10.967  0.7992363      13.51443  
1 1 1 -29 22  8  o 14.861  6.6694  -52.9155   222.984  23.126     254.968  -300.2419  459.828  17.008  7.4017  18.500  8.7391  -1.492439      11.45236  
1 1 1 -29 22  9  o 18.658  7.6057  133.992    242.306  192.944    283.064  -27.6475   468.712  20.603  8.2843  21.044  9.5362  -0.4412441     12.63207  
1 1 1 -29 22  10 o 31.783  7.2667  639.122    244.701  765.404    281.134  244.417    497.027  34.570  7.7051  24.364  10.467  10.20609       12.99739  
1 1 1 -29 22  11 o 16.990  7.4378  17.919     260.836  182.830    312.328  -362.2333  474.205  20.797  8.5742  18.189  8.6730  2.608318       12.19582  
1 1 1 -29 22  12 o 25.910  7.9991  439.776    247.009  487.460    285.226  296.746    493.990  26.969  8.6334  24.653  10.509  2.315771       13.60053  
1 1 1 -29 22  13 o 40.522  6.0717  997.895    258.281  799.168    297.526  1605.65    520.310  34.773  8.0574  47.024  10.483  -12.25098      13.22197  
1 1 1 -29 22  14 f 26.003  8.2576  455.277    261.336  695.719    307.847  -165.0091  494.454  31.716  8.6999  19.707  9.2311  12.00883       12.68472  
1 1 1 -29 22  15 o 30.050  7.8886  607.580    260.018  599.280    302.792  630.888    507.431  29.163  8.8286  28.531  11.215  0.6322155      14.27317  
1 1 1 -29 22  16 o 20.669  2.0224  236.722    44.695   363.175    318.063  234.175    45.143   23.542  8.9792  20.549  2.0559  2.993124       9.211551  
1 1 1 -29 22  17 o 26.034  9.3591  490.521    336.335  490.521    336.335  0.0000     0.0000   26.034  9.3591  ?       ?       0.000000       9.359145  
1 1 1 -29 22  18 o 17.055  7.8173  -61.2152   326.764  -61.2152   326.764  0.0000     0.0000   17.055  7.8173  ?       ?       0.000000       7.817342  
1 1 1 -29 23  1  o 51.413  4.1473  1497.39    228.982  1417.67    261.955  1755.60    471.454  49.564  4.9457  52.215  8.6383  -2.650742      9.953921  
1 1 1 -29 23  2  o 34.709  6.4254  730.873    232.658  705.513    255.428  854.380    563.700  33.631  7.2275  33.765  12.119  -0.1344337     14.11031  
1 1 1 -29 23  3  f 42.108  5.1190  1029.72    228.663  1061.60    253.617  891.224    528.633  42.459  5.6556  34.618  11.783  7.840187       13.06964  
1 1 1 -29 23  4  o 36.593  5.7071  793.532    218.819  758.143    240.570  963.116    526.621  35.301  6.5326  35.897  11.751  -0.5964317     13.44459  
1 1 1 -29 23  5  f 27.565  7.0561  475.331    211.559  453.984    234.160  570.176    493.567  26.721  7.6815  29.193  11.173  -2.471243      13.55907  
1 1 1 -29 23  6  o 41.639  5.4816  1018.63    241.205  953.118    274.735  1238.96    503.829  39.561  6.6474  41.434  11.031  -1.872440      12.87921  
1 1 1 -29 23  7  o 31.021  6.6793  594.104    217.781  498.555    243.262  979.849    488.778  27.874  7.7677  36.405  11.255  -8.531166      13.67482  
1 1 1 -29 23  8  o 30.335  7.1438  578.394    230.842  529.416    261.848  749.245    489.052  28.550  8.0955  32.017  11.309  -3.467346      13.90821  
1 1 1 -29 23  9  o 43.316  5.7463  1113.61    262.939  1229.32    306.167  788.427    513.256  45.046  6.4602  32.469  11.573  12.57704       13.25425  
1 1 1 -29 23  10 o 17.519  7.2344  102.153    222.826  119.636    252.498  40.605     473.755  18.557  7.6851  21.730  9.7391  -3.173552      12.40608  
1 1 1 -29 23  11 o 51.552  2.5005  1463.15    139.616  1529.81    315.597  1446.93    155.679  50.641  5.8623  51.077  2.8250  -0.4360390     6.507463  
1 1 1 -29 23  12 o 83.241  3.8086  3903.35    343.379  3575.16    399.498  4831.58    671.853  78.754  4.7050  88.343  7.0810  -9.588722      8.501668  
1 1 1 -29 23  13 o 57.521  4.7380  1919.25    292.557  2026.79    342.106  1626.55    564.389  58.495  5.4629  46.117  11.371  12.37817       12.61518  
1 1 1 -29 23  14 o 23.920  1.3916  312.750    35.898   15.366     313.966  316.690    36.135   17.998  8.0069  24.071  1.3920  -6.072962      8.127026  
1 1 1 -29 23  15 o 21.631  8.0956  285.627    255.739  215.857    298.817  476.636    494.422  20.699  8.4428  26.265  10.803  -5.566689      13.71110  
1 1 1 -29 23  16 o 20.239  8.3391  200.145    295.215  474.698    369.826  -282.0756  490.127  25.762  9.7165  18.447  8.8019  7.314991       13.11048  
1 1 1 -29 23  17 o 18.164  8.0831  38.096     320.201  38.096     320.201  0.0000     0.0000   18.164  8.0831  ?       ?       0.000000       8.083093  
1 1 1 -29 23  18 o 15.602  7.3445  -186.1168  319.664  -186.1168  319.664  0.0000     0.0000   15.602  7.3445  ?       ?       0.000000       7.344487  
1 1 1 -29 24  1  o 51.069  4.6422  1494.60    253.970  1429.88    281.981  1772.64    584.490  49.509  5.3432  49.846  11.110  -0.3372726     12.32805  
1 1 1 -29 24  2  o 43.446  5.0294  1094.31    232.288  1147.88    253.315  811.261    582.320  44.297  5.3909  32.915  12.236  11.38280       13.37110  
1 1 1 -29 24  3  o 41.237  5.2820  993.296    230.494  1053.53    256.052  735.954    529.252  42.213  5.7500  31.869  11.698  10.34375       13.03494  
1 1 1 -29 24  4  o 80.477  3.5084  3608.35    305.809  3634.61    343.978  3509.34    667.941  80.471  3.9466  74.290  8.4516  6.180954       9.327654  
1 1 1 -29 24  5  o 43.871  5.1152  1118.41    238.494  1034.63    267.634  1441.52    525.589  41.584  6.1256  45.001  10.899  -3.416164      12.50246  
1 1 1 -29 24  6  o 16.309  6.9894  38.130     220.632  63.938     251.687  -47.5189   458.505  17.621  7.5060  20.737  9.4106  -3.115480      12.03744  
1 1 1 -29 24  7  o 37.135  6.1922  831.558    240.285  795.474    274.350  950.396    497.882  35.585  7.3611  35.698  11.404  -0.1128731     13.57359  
1 1 1 -29 24  8  o 42.540  5.1343  1055.04    231.779  980.193    259.615  1349.00    514.498  40.399  6.1253  43.196  10.975  -2.797421      12.56840  
1 1 1 -29 24  9  o 22.571  7.8502  309.338    235.082  372.143    269.230  107.795    482.293  24.332  8.4045  22.639  10.005  1.692545       13.06638  
1 1 1 -29 24  10 o 21.660  7.6573  279.669    224.240  265.427    252.841  332.154    485.373  21.598  8.0562  25.264  10.575  -3.665855      13.29388  
1 1 1 -29 24  11 o 11.894  5.7602  -318.2157  228.704  -258.5755  262.882  -503.8822  463.830  13.615  6.4824  16.973  8.2158  -3.357706      10.46523  
1 1 1 -29 24  12 o 20.720  8.1825  220.240    271.277  70.791     324.435  567.547    494.582  19.161  8.3440  28.326  11.091  -9.164946      13.87925  
1 1 1 -29 24  13 o 15.205  6.9005  -67.2835   246.522  83.444     287.816  -482.4290  477.660  18.477  7.9521  17.228  8.3391  1.248159       11.52288  
1 1 1 -29 24  14 o 52.274  5.0071  1606.33    280.026  1637.79    324.917  1515.50    552.120  52.049  5.8658  43.797  11.494  8.251926       12.90444  
1 1 1 -29 24  15 o 18.298  7.7498  112.025    265.665  162.009    317.345  -5.0630    485.702  20.052  8.4800  20.724  9.5107  -0.6715927     12.74221  
1 1 1 -29 24  16 o 21.592  8.3255  283.444    275.397  219.437    331.303  426.568    495.413  21.020  8.7621  25.291  10.640  -4.271118      13.78356  
1 1 1 -29 24  17 o 18.214  8.0922  42.753     319.633  42.753     319.633  0.0000     0.0000   18.214  8.0922  ?       ?       0.000000       8.092155  
1 1 1 -29 25  1  o 28.288  7.1050  502.765    217.395  529.997    236.966  358.030    546.296  28.858  7.5092  26.442  11.151  2.416189       13.44391  
1 1 1 -29 25  2  o 59.008  4.1100  1969.51    261.037  1752.79    287.702  2978.73    620.849  55.185  4.8632  68.162  8.6011  -12.97706      9.880756  
1 1 1 -29 25  3  o 56.799  4.2755  1831.48    261.097  1906.84    293.833  1548.65    569.209  57.658  4.7473  46.069  11.456  11.58872       12.40054  
1 1 1 -29 25  4  f 29.951  7.4298  568.072    239.859  545.847    269.829  651.780    523.657  28.981  8.2180  30.450  11.543  -1.469206      14.16990  
1 1 1 -29 25  5  o 14.905  6.6178  -30.6603   213.437  -53.9914   238.608  62.749     477.434  15.367  6.8976  22.208  9.8770  -6.841058      12.04711  
1 1 1 -29 25  6  o 36.771  6.3971  820.714    245.523  761.266    282.526  1004.11    496.239  34.552  7.7414  36.776  11.335  -2.223145      13.72652  
1 1 1 -29 25  7  o 58.841  4.1725  1962.47    264.197  2088.71    300.004  1526.30    557.635  60.413  4.6199  45.754  11.316  14.65976       12.22241  
1 1 1 -29 25  8  o 70.464  2.8430  2742.77    216.981  2676.13    339.888  2788.60    281.899  68.384  4.6160  70.482  3.7057  -2.098328      5.919410  
1 1 1 -29 25  9  o 73.312  3.8104  3024.63    301.518  2956.63    345.829  3240.16    615.676  71.986  4.4574  71.419  8.1026  0.5672073      9.247772  
1 1 1 -29 25  10 o 67.192  3.9309  2551.21    284.829  2754.01    324.766  1875.42    592.859  69.511  4.3353  50.785  11.089  18.72509       11.90626  
1 1 1 -29 25  11 o 26.462  1.2393  380.801    35.520   -10.4884   282.161  387.102    35.805   17.084  7.5959  26.680  1.2390  -9.595854      7.696321  
1 1 1 -29 25  12 o 45.359  5.7454  1231.61    275.939  1213.54    321.101  1282.64    539.589  44.095  6.9537  40.406  11.674  3.689339       13.58798  
1 1 1 -29 25  13 o 4.9915  2.3526  -35.8418   32.988   -90.7647   278.815  -35.0621   33.221   15.816  7.2391  5.0390  2.3707  10.77728       7.617411  
1 1 1 -29 25  14 o 39.044  2.3528  842.813    99.032   1040.41    325.844  822.704    103.949  39.761  7.8450  38.522  2.5050  1.239021       8.235233  
1 1 1 -29 25  15 o 19.582  8.0697  174.102    276.509  276.111    334.801  -44.7687   490.414  22.148  8.9729  20.423  9.4390  1.724699       13.02330  
1 1 1 -29 25  16 o 17.264  8.1022  -171.5629  383.962  -171.5629  383.962  0.0000     0.0000   17.264  8.1022  ?       ?       0.000000       8.102201  
1 1 1 -29 25  17 o 20.166  8.9619  97.986     392.301  97.986     392.301  0.0000     0.0000   20.166  8.9619  ?       ?       0.000000       8.961944  
1 1 1 -29 26  1  o 62.572  3.8698  2204.95    260.977  2080.84    287.976  2775.31    617.328  60.421  4.4314  65.224  8.9764  -4.802670      10.01061  
1 1 1 -29 26  2  o 36.034  5.8421  775.229    220.204  743.339    239.042  953.971    565.929  34.858  6.5725  35.139  12.182  -0.2813187     13.84237  
1 1 1 -29 26  3  o 20.687  7.5308  240.203    218.681  281.717    243.391  66.327     498.115  22.012  7.9553  22.565  10.059  -0.5525703     12.82430  
1 1 1 -29 26  4  o 28.954  7.1392  527.005    222.473  582.083    245.570  274.842    525.449  30.251  7.5257  25.239  10.800  5.011913       13.16380  
1 1 1 -29 26  5  o 35.399  6.5265  764.928    241.011  726.747    269.642  916.616    537.458  33.868  7.5441  34.721  11.880  -0.8531189     14.07314  
1 1 1 -29 26  6  o 16.561  7.0274  54.662     219.117  21.652     248.695  169.201    463.254  16.822  7.3154  23.178  10.032  -6.356464      12.41572  
1 1 1 -29 26  7  o 44.583  4.9563  1152.33    235.279  1129.82    264.507  1237.61    514.914  43.673  5.7300  40.986  11.255  2.687260       12.62985  
1 1 1 -29 26  8  o 28.427  7.3542  513.892    228.145  561.662    257.785  341.259    490.050  29.440  7.9139  25.574  10.658  3.865688       13.27498  
1 1 1 -29 26  9  o 20.117  1.9169  223.160    41.262   287.678    258.406  221.472    41.798   22.194  8.1699  20.033  1.9511  2.160288       8.399672  
1 1 1 -29 26  10 o 44.076  5.6260  1153.50    262.455  1161.24    303.174  1130.36    524.303  43.508  6.6443  38.240  11.627  5.268299       13.39120  
1 1 1 -29 26  11 o 47.352  5.5563  1329.81    279.550  1286.66    327.529  1445.60    536.487  45.596  6.8433  43.862  11.241  1.734261       13.16031  
1 1 1 -29 26  12 o 20.472  7.8676  228.038    245.345  231.121    282.750  218.643    493.578  21.054  8.3412  23.585  10.280  -2.531080      13.23874  
1 1 1 -29 26  13 o 28.711  8.3831  561.144    276.949  546.206    330.962  596.041    505.833  27.853  9.3237  28.378  11.184  -0.5250454     14.56066  
1 1 1 -29 26  14 o 20.343  8.2528  204.768    283.631  286.660    346.183  37.543     494.691  22.561  9.1298  21.363  9.7256  1.198505       13.33948  
1 1 1 -29 26  15 o 20.585  8.4522  209.957    301.978  -12.3619   380.168  590.058    497.093  18.854  8.5613  27.763  11.041  -8.908606      13.97115  
1 1 1 -29 26  16 o 20.170  8.3974  190.109    303.760  190.109    303.760  0.0000     0.0000   20.170  8.3974  ?       ?       0.000000       8.397446  
1 1 1 -29 26  17 o 15.838  7.4035  -153.6607  315.244  -153.6607  315.244  0.0000     0.0000   15.838  7.4035  ?       ?       0.000000       7.403531  
1 1 1 -29 27  1  o 33.847  6.2437  695.021    220.461  734.723    240.407  485.102    552.795  34.578  6.6607  28.020  11.462  6.558191       13.25711  
1 1 1 -29 27  2  o 13.076  6.0096  -106.5049  194.891  -33.1214   209.318  -584.4675  534.202  14.714  6.5422  18.127  8.7849  -3.413290      10.95330  
1 1 1 -29 27  3  o 81.140  3.5443  3673.67    311.481  3840.64    352.689  3081.76    664.037  82.678  3.9385  68.542  9.1749  14.13586       9.984542  
1 1 1 -29 27  4  o 69.732  3.8557  2735.09    290.082  2779.79    326.551  2567.85    631.678  69.964  4.3306  61.869  9.7493  8.095280       10.66784  
1 1 1 -29 27  5  o 30.734  6.9954  589.721    227.633  565.159    251.710  699.993    533.340  29.682  7.7470  31.130  11.683  -1.448166      14.01824  
1 1 1 -29 27  6  f 22.164  7.5137  297.340    214.961  390.847    241.292  -62.3241   473.225  24.828  7.9400  20.824  9.4926  4.004560       12.37546  
1 1 1 -29 27  7  o 38.343  5.7858  875.937    232.807  744.257    262.253  1365.51    505.674  34.415  7.2638  43.668  10.761  -9.252964      12.98316  
1 1 1 -29 27  8  o 44.984  5.1315  1180.12    245.544  1366.32    277.820  515.496    524.873  48.252  5.4090  28.157  11.295  20.09526       12.52348  
1 1 1 -29 27  9  o 34.744  6.4161  739.197    232.554  747.280    261.373  708.486    509.470  34.415  7.2414  30.950  11.457  3.464542       13.55382  
1 1 1 -29 27  10 f 19.115  7.7062  159.413    245.645  295.089    284.649  -236.4004  486.187  22.517  8.5167  19.316  9.0818  3.200335       12.45042  
1 1 1 -29 27  11 o 25.984  1.8701  371.020    52.278   430.348    276.377  368.819    53.239   25.556  8.5199  25.898  1.9115  -0.3419628     8.731737  
1 1 1 -29 27  12 o 14.832  6.8860  -144.0367  265.375  -169.2666  317.275  -85.2798   484.182  16.019  7.4678  20.339  9.3926  -4.319466      11.99955  
1 1 1 -29 27  13 o 34.479  1.8389  652.217    68.424   563.244    311.397  656.731    70.139   28.366  9.0145  34.588  1.8793  -6.222246      9.208329  
1 1 1 -29 27  14 o 22.384  8.1882  315.516    258.983  376.086    302.175  147.901    502.675  23.931  8.8307  22.509  10.064  1.422241       13.38886  
1 1 1 -29 27  15 o 17.150  7.4692  52.453     260.040  -55.9917   306.993  327.893    489.256  16.789  7.6503  24.174  10.385  -7.385469      12.89889  
1 1 1 -29 27  16 f 20.734  8.4930  221.753    303.985  221.753    303.985  0.0000     0.0000   20.734  8.4930  ?       ?       0.000000       8.493025  
1 1 1 -29 27  17 o 23.683  8.8357  377.255    304.166  377.255    304.166  0.0000     0.0000   23.683  8.8357  ?       ?       0.000000       8.835687  
1 1 1 -29 28  1  o 22.546  7.6315  310.026    221.750  336.605    243.311  179.677    538.819  23.367  7.9934  24.261  10.653  -0.8933277     13.31886  
1 1 1 -29 28  2  o 41.292  5.1585  994.826    225.674  956.452    245.044  1209.16    579.126  40.104  5.8106  39.403  12.262  0.7016335      13.56913  
1 1 1 -29 28  3  o 59.127  4.2119  1982.96    267.970  1878.19    301.246  2380.18    586.549  57.070  4.9216  60.007  9.3276  -2.936790      10.54639  
1 1 1 -29 28  4  o 46.965  4.8192  1272.30    241.666  1216.07    267.450  1522.50    564.133  45.467  5.5459  45.539  11.449  -0.7236099E-01 12.72194  
1 1 1 -29 28  5  o 25.317  7.7010  407.438    229.982  328.022    255.400  747.895    528.808  23.228  8.1763  31.851  11.693  -8.622570      14.26806  
1 1 1 -29 28  6  o 13.350  6.1899  -136.5801  213.421  -130.5583  241.094  -158.3877  458.801  14.389  6.6388  19.640  9.0955  -5.251203      11.26061  
1 1 1 -29 28  7  o 17.018  7.1739  70.559     225.937  34.759     257.361  190.896    471.844  17.235  7.4684  23.469  10.141  -6.233334      12.59428  
1 1 1 -29 28  8  o 15.847  6.8685  20.455     217.777  -15.3827   245.040  155.155    475.065  16.076  7.1163  23.016  10.058  -6.940573      12.32068  
1 1 1 -29 28  9  o 59.869  4.2414  2041.30    273.251  2106.97    311.419  1821.58    569.640  60.421  4.7982  50.400  10.762  10.02030       11.78350  
1 1 1 -29 28  10 o 39.398  6.0193  937.267    248.708  822.990    282.565  1330.25    523.995  35.874  7.5130  41.993  11.281  -6.118301      13.55360  
1 1 1 -29 28  11 o 27.925  7.9473  514.661    251.877  349.996    290.463  1013.86    505.741  23.664  8.6693  35.954  11.495  -12.28993      14.39744  
1 1 1 -29 28  12 o 21.870  7.9766  290.516    245.511  149.522    283.050  718.829    493.336  19.478  8.1075  30.459  11.275  -10.98025      13.88693  
1 1 1 -29 28  13 o 18.813  7.8766  130.911    269.392  59.340     321.669  299.007    492.971  18.755  8.2338  24.231  10.418  -5.475286      13.27861  
1 1 1 -29 28  14 o 15.612  7.1633  -91.7325   275.317  -226.5102  333.089  198.918    489.145  15.725  7.4311  22.864  10.091  -7.139161      12.53214  
1 1 1 -29 28  15 o 16.806  7.6266  -41.1450   301.085  -41.1450   301.085  0.0000     0.0000   16.806  7.6266  ?       ?       0.000000       7.626602  
1 1 1 -29 28  16 f 16.319  7.2432  7.6257     255.479  7.6257     255.479  0.0000     0.0000   16.319  7.2432  ?       ?       0.000000       7.243229  
1 1 1 -29 29  1  o 33.210  7.2392  694.059    253.048  763.911    284.014  425.111    557.294  34.529  7.7807  27.212  11.355  7.316805       13.76539  
1 1 1 -29 29  2  o 43.548  5.1652  1106.22    238.878  1034.93    261.532  1465.12    586.773  41.620  5.9729  43.859  12.003  -2.239094      13.40691  
1 1 1 -29 29  3  o 55.464  4.2217  1747.21    251.709  1790.80    280.071  1564.12    574.032  55.868  4.6713  46.016  11.539  9.852081       12.44823  
1 1 1 -29 29  4  o 56.532  4.4040  1822.21    267.531  1746.42    301.119  2106.23    582.901  54.855  5.1277  55.529  10.062  -0.6739769     11.29353  
1 1 1 -29 29  5  o 26.454  7.4665  445.353    223.274  349.402    246.092  891.974    530.935  23.708  8.0393  34.230  11.804  -10.52274      14.28137  
1 1 1 -29 29  6  o 19.895  7.5056  209.113    220.712  214.488    249.220  189.569    475.228  20.474  7.9128  23.513  10.169  -3.038992      12.88463  
1 1 1 -29 29  7  o 16.427  7.0332  43.738     223.022  11.357     253.121  156.120    471.557  16.731  7.3256  23.009  10.038  -6.277685      12.42721  
1 1 1 -29 29  8  o 34.831  6.6918  749.689    243.281  572.055    276.887  1351.11    509.481  29.426  8.3180  43.046  10.913  -13.62051      13.72137  
1 1 1 -29 29  9  o 12.978  6.1725  -236.7455  237.035  -287.1474  274.422  -88.6490   470.400  13.723  6.5584  20.298  9.3318  -6.575512      11.40589  
1 1 1 -29 29  10 o 12.911  2.4505  94.662     33.015   45.995     257.565  95.475     33.289   17.302  7.4842  12.966  2.4605  4.336028       7.878333  
1 1 1 -29 29  11 o 14.314  2.1982  114.979    32.991   22.183     266.013  116.429    33.248   17.086  7.4946  14.405  2.2008  2.680343       7.811055  
1 1 1 -29 29  12 o 45.800  5.1122  1235.61    249.273  1325.38    311.231  1075.00    416.310  46.488  6.3470  38.578  9.9107  7.910027       11.76883  
1 1 1 -29 29  13 o 55.665  3.1234  1733.87    187.551  2552.51    380.940  1471.94    215.475  65.566  5.4127  50.786  3.9483  14.77996       6.699707  
1 1 1 -29 29  14 o 34.167  7.6384  771.443    275.569  751.111    324.023  824.587    523.854  32.593  8.9193  31.422  11.621  1.171343       14.64902  
1 1 1 -29 29  15 o 24.406  9.2273  404.045    334.036  404.045    334.036  0.0000     0.0000   24.406  9.2273  ?       ?       0.000000       9.227335  
1 1 1 -29 29  16 o 19.408  8.3621  125.728    318.954  125.728    318.954  0.0000     0.0000   19.408  8.3621  ?       ?       0.000000       8.362103  
1 1 1 -29 30  1  o 44.789  5.9533  1197.07    281.645  1049.34    321.531  1684.14    583.839  40.792  7.5558  47.866  11.421  -7.074402      13.69397  
1 1 1 -29 30  2  o 16.040  6.9606  18.863     224.205  98.074     245.735  -374.6769  547.733  18.040  7.5353  19.655  9.3580  -1.614841      12.01471  
1 1 1 -29 30  3  o 22.851  7.6392  321.424    222.171  278.121    246.806  506.427    510.143  21.914  7.9969  28.040  11.174  -6.125492      13.74073  
1 1 1 -29 30  4  o 19.498  7.3441  199.193    211.117  107.642    231.675  647.455    512.639  17.889  7.3809  30.189  11.427  -12.30073      13.60339  
1 1 1 -29 30  5  o 36.815  6.1791  818.712    237.659  801.107    263.696  894.885    548.516  35.880  7.0369  34.104  11.984  1.776642       13.89723  
1 1 1 -29 30  6  f 24.000  7.7708  362.969    230.579  298.758    262.374  580.786    483.241  22.527  8.2415  29.018  11.068  -6.491835      13.79924  
1 1 1 -29 30  7  o 22.742  7.7458  318.352    228.462  387.117    258.910  76.484     485.572  24.646  8.2466  22.299  9.9364  2.346272       12.91271  
1 1 1 -29 30  8  o 16.486  6.9942  58.497     216.982  99.797     243.339  -101.7729  479.361  17.941  7.4965  20.385  9.3896  -2.444000      12.01511  
1 1 1 -29 30  9  o 31.073  7.2220  614.398    238.434  622.510    270.161  585.820    507.101  30.783  8.0218  28.830  11.247  1.952770       13.81429  
1 1 1 -29 30  10 o 18.727  7.3463  168.690    217.308  40.878     242.059  699.558    493.320  16.796  7.2604  30.495  11.277  -13.69974      13.41220  
1 1 1 -29 30  11 o 20.062  7.8369  209.816    246.487  131.299    284.252  447.819    494.894  19.220  8.0713  26.418  10.831  -7.197863      13.50737  
1 1 1 -29 30  12 o 17.838  7.6603  75.473     266.006  138.367    315.125  -80.4377   496.153  19.834  8.4225  20.479  9.4752  -0.6455669     12.67746  
1 1 1 -29 30  13 o 29.027  8.4102  578.996    279.701  744.628    331.598  170.542    520.728  32.417  9.0815  23.012  10.269  9.405390       13.70875  
1 1 1 -29 30  14 o 21.941  8.5504  286.240    292.881  286.240    292.881  0.0000     0.0000   21.941  8.5504  ?       ?       0.000000       8.550439  
1 1 1 -29 30  15 o 23.639  8.8372  369.742    304.567  369.742    304.567  0.0000     0.0000   23.639  8.8372  ?       ?       0.000000       8.837176  
1 1 1 -29 30  16 o 26.504  9.4645  509.664    343.401  509.664    343.401  0.0000     0.0000   26.504  9.4645  ?       ?       0.000000       9.464451  
1 1 1 -29 31  1  o 19.346  7.0710  205.433    193.075  147.069    206.569  608.888    543.109  18.126  7.1460  29.518  11.603  -11.39139      13.62684  
1 1 1 -29 31  2  f 54.509  6.6439  1803.55    384.132  1953.14    491.667  1569.18    615.425  54.944  8.5392  44.998  12.283  9.945351       14.95984  
1 1 1 -29 31  3  o 33.382  6.6083  685.947    230.475  724.415    253.221  500.223    556.395  34.027  7.1004  28.142  11.504  5.884867       13.51918  
1 1 1 -29 31  4  o 25.260  7.3464  404.220    213.057  385.138    233.128  500.943    524.857  24.631  7.7968  27.986  11.271  -3.354671      13.70482  
1 1 1 -29 31  5  o 18.071  7.2050  138.982    212.202  186.457    232.525  -97.5483   519.018  19.546  7.6182  21.220  9.7729  -1.674698      12.39134  
1 1 1 -29 31  6  o 17.324  7.1238  101.896    214.904  12.406     241.312  444.945    472.467  16.406  7.1688  26.814  10.731  -10.40800      12.90499  
1 1 1 -29 31  7  o 32.032  7.0702  645.853    238.727  754.563    271.412  274.280    501.783  34.411  7.4945  24.697  10.561  9.713896       12.95005  
1 1 1 -29 31  8  o 27.824  7.3257  495.822    223.804  548.042    250.472  289.028    498.440  29.008  7.8021  24.752  10.554  4.255564       13.12461  
1 1 1 -29 31  9  o 36.492  6.6651  824.524    253.731  814.539    291.221  855.991    516.964  35.474  7.7925  33.149  11.635  2.324677       14.00345  
1 1 1 -29 31  10 o 23.877  1.7379  312.969    44.637   297.639    296.329  313.325    45.152   22.592  8.6550  23.887  1.7575  -1.295311      8.831650  
1 1 1 -29 31  11 o 14.480  6.6232  -90.4357   232.863  -152.9294  264.962  121.630    488.090  14.712  6.8471  22.371  9.9657  -7.658700      12.09118  
1 1 1 -29 31  12 o 38.298  2.3799  810.953    98.232   1067.02    318.032  783.947    103.282  40.676  7.4949  37.594  2.5516  3.081837       7.917316  
1 1 1 -29 31  13 o 67.194  3.0833  2518.99    224.401  2727.20    400.250  2423.54    270.999  67.614  5.5135  65.280  3.8499  2.333977       6.724568  
1 1 1 -29 31  14 o 20.086  8.4877  166.282    317.505  166.282    317.505  0.0000     0.0000   20.086  8.4877  ?       ?       0.000000       8.487676  
1 1 1 -29 31  15 o 13.754  6.7458  -511.0056  342.971  -511.0056  342.971  0.0000     0.0000   13.754  6.7458  ?       ?       0.000000       6.745841  
1 1 1 -29 31  16 o 15.571  7.2047  -114.3537  286.927  -114.3537  286.927  0.0000     0.0000   15.571  7.2047  ?       ?       0.000000       7.204685  
1 1 1 -29 32  1  o 15.577  6.6230  43.318     195.286  115.891    204.673  -693.8951  652.334  17.359  7.0217  19.555  9.5291  -2.195526      11.83669  
1 1 1 -29 32  2  o 55.299  5.3671  1789.93    317.413  1804.98    370.958  1748.78    613.311  54.717  6.3791  48.179  11.838  6.538738       13.44735  
1 1 1 -29 32  3  o 52.133  5.5393  1599.40    307.991  1538.60    358.967  1769.03    599.598  50.171  6.7796  48.926  11.508  1.244118       13.35622  
1 1 1 -29 32  4  o 15.305  6.7569  -15.0479   219.452  -10.9797   243.318  -32.7869   508.091  16.099  7.1108  21.601  9.8428  -5.502048      12.14265  
1 1 1 -29 32  5  o 22.450  7.7805  306.773    230.826  248.850    256.300  555.476    531.088  21.293  8.0749  28.688  11.411  -7.395206      13.97896  
1 1 1 -29 32  6  o 25.577  7.5937  419.272    225.625  415.176    254.429  434.353    488.177  25.356  8.1579  26.692  10.828  -1.335587      13.55685  
1 1 1 -29 32  7  f 28.772  7.4732  532.334    234.979  477.768    266.936  720.171    495.262  26.929  8.3158  31.084  11.330  -4.154127      14.05462  
1 1 1 -29 32  8  o 30.668  7.0645  595.119    229.828  558.698    258.625  731.884    501.174  29.188  7.9607  31.193  11.394  -2.004488      13.89923  
1 1 1 -29 32  9  o 19.541  7.5253  197.863    224.779  170.593    252.587  301.656    492.776  19.439  7.8224  24.717  10.515  -5.277557      13.10558  
1 1 1 -29 32  10 o 16.321  7.1497  15.836     241.387  142.092    277.442  -377.4294  489.654  19.298  8.0291  18.212  8.7193  1.085840       11.85299  
1 1 1 -29 32  11 o 17.262  7.2245  93.945     226.518  93.180     255.315  96.772     490.969  17.922  7.5942  22.117  9.9132  -4.194933      12.48776  
1 1 1 -29 32  12 o 13.908  6.4269  -116.6434  227.263  -280.2372  256.096  489.635    493.009  13.079  6.2734  26.713  10.864  -13.63350      12.54551  
1 1 1 -29 32  13 o 14.999  7.1713  -297.6812  328.754  -297.6812  328.754  0.0000     0.0000   14.999  7.1713  ?       ?       0.000000       7.171286  
1 1 1 -29 32  14 o 35.599  8.1715  860.726    308.400  860.726    308.400  0.0000     0.0000   35.599  8.1715  ?       ?       0.000000       8.171453  
1 1 1 -29 32  15 o 29.022  9.8338  632.059    368.211  632.059    368.211  0.0000     0.0000   29.022  9.8338  ?       ?       0.000000       9.833799  
1 1 1 -29 33  1  o 23.133  7.1217  335.022    195.948  312.357    209.762  490.299    549.029  22.467  7.4192  27.774  11.400  -5.306627      13.60125  
1 1 1 -29 33  2  o 15.316  6.5942  25.406     198.068  -23.4362   212.202  355.855    551.954  14.920  6.6126  26.176  11.132  -11.25677      12.94799  
1 1 1 -29 33  3  o 44.185  8.3311  1266.80    384.078  1418.56    510.078  1068.10    583.665  44.400  10.727  36.499  12.381  7.901165       16.38139  
1 1 1 -29 33  4  o 24.657  7.5835  386.959    222.247  225.697    245.111  1132.40    526.990  20.602  7.8766  38.431  11.650  -17.82889      14.06284  
1 1 1 -29 33  5  o 25.328  7.7051  411.788    230.221  448.153    254.825  250.279    537.030  26.235  8.1289  24.794  10.766  1.440155       13.49029  
1 1 1 -29 33  6  o 22.483  7.7557  310.446    229.232  210.348    256.555  706.730    510.470  20.401  7.9880  30.828  11.457  -10.42731      13.96702  
1 1 1 -29 33  7  o 26.131  7.6679  441.085    231.192  462.237    261.436  365.203    495.176  26.535  8.2356  25.696  10.712  0.8392353      13.51166  
1 1 1 -29 33  8  o 22.280  7.5289  307.299    215.825  336.701    240.106  183.586    492.521  23.170  7.9405  23.370  10.226  -0.1999397     12.94673  
1 1 1 -29 33  9  o 23.652  7.8965  357.355    237.390  530.662    269.797  -236.8443  499.570  28.180  8.2874  19.471  9.1703  8.709373       12.36026  
1 1 1 -29 33  10 o 3.4899  1.7655  -112.7123  32.801   15.762     272.957  -114.5948  33.041   17.137  7.5521  3.4894  1.7661  13.64731       7.755878  
1 1 1 -29 33  11 o 28.905  7.4582  546.147    235.054  592.181    264.403  372.639    513.322  29.747  8.0225  25.404  10.767  4.343342       13.42686  
1 1 1 -29 33  12 o 28.422  2.3388  447.760    71.356   751.524    280.841  426.797    73.777   33.647  7.8500  27.703  2.4853  5.944256       8.233993  
1 1 1 -29 33  13 o 26.260  9.0022  482.284    308.605  482.284    308.605  0.0000     0.0000   26.260  9.0022  ?       ?       0.000000       9.002224  
1 1 1 -29 33  14 o 38.680  7.7605  990.779    313.816  990.779    313.816  0.0000     0.0000   38.680  7.7605  ?       ?       0.000000       7.760464  
1 1 1 -29 33  15 o 17.297  7.7891  -13.9967   307.075  -13.9967   307.075  0.0000     0.0000   17.297  7.7891  ?       ?       0.000000       7.789085  
1 1 1 -29 34  1  o 19.916  8.5397  108.736    329.687  19.120     414.561  262.939    543.805  20.379  9.1235  24.909  10.825  -4.529886      14.15672  
1 1 1 -29 34  2  o 56.672  3.8803  1815.51    236.741  1718.75    255.822  2392.50    624.702  54.846  4.3420  58.674  10.200  -3.827774      11.08600  
1 1 1 -29 34  3  o 68.249  4.6176  2673.33    339.326  2468.65    392.338  3280.96    675.983  64.674  5.6579  70.396  9.0772  -5.722549      10.69612  
1 1 1 -29 34  4  o 31.916  8.2531  672.578    287.416  512.327    339.335  1079.39    540.662  27.520  9.4395  37.086  11.888  -9.566540      15.17986  
1 1 1 -29 34  5  o 19.477  7.3494  201.370    211.642  221.710    231.156  95.937     526.294  20.268  7.6728  22.993  10.288  -2.724209      12.83390  
1 1 1 -29 34  6  o 18.684  7.4290  157.160    225.031  110.850    251.284  344.699    505.677  18.319  7.6332  25.532  10.746  -7.212292      13.18101  
1 1 1 -29 34  7  o 22.475  2.1767  279.528    52.324   491.884    255.559  270.237    53.456   27.349  8.0722  22.075  2.2680  5.274448       8.384805  
1 1 1 -29 34  8  o 24.388  7.8402  383.104    235.031  467.829    266.222  83.749     500.416  26.568  8.3213  22.357  10.015  4.211700       13.02114  
1 1 1 -29 34  9  o 18.747  7.4686  162.679    227.851  185.697    257.164  78.628     491.420  19.757  7.9130  22.053  9.8989  -2.296364      12.67299  
1 1 1 -29 34  10 o 19.889  7.7112  209.017    237.266  146.097    269.341  426.992    501.318  19.174  7.9387  26.124  10.825  -6.950283      13.42371  
1 1 1 -29 34  11 o 17.861  7.4784  107.416    242.870  148.351    277.962  -24.6899   499.345  19.315  8.0364  20.999  9.6394  -1.683678      12.54997  
1 1 1 -29 34  12 o 20.536  8.5852  183.863    319.378  183.863    319.378  0.0000     0.0000   20.536  8.5852  ?       ?       0.000000       8.585238  
1 1 1 -29 34  13 o 31.665  8.8356  708.535    314.536  708.535    314.536  0.0000     0.0000   31.665  8.8356  ?       ?       0.000000       8.835600  
1 1 1 -29 34  14 o 65.053  5.7084  2551.81    398.147  2551.81    398.147  0.0000     0.0000   65.053  5.7084  ?       ?       0.000000       5.708413  
1 1 1 -29 34  15 o 27.590  9.5349  557.270    346.541  557.270    346.541  0.0000     0.0000   27.590  9.5349  ?       ?       0.000000       9.534883  
1 1 1 -29 35  1  o 27.038  9.4738  492.732    342.680  404.654    433.239  639.928    560.072  25.758  10.287  29.695  11.748  -3.936993      15.61495  
1 1 1 -29 35  2  o 17.104  7.8169  -96.2666   323.501  -1.5802    401.118  -272.4523  547.160  19.898  8.9366  20.187  9.5350  -0.2892952     13.06829  
1 1 1 -29 35  3  o 19.432  8.5997  31.401     357.592  103.596    459.245  -79.7798   569.909  22.092  9.7628  22.032  10.180  0.6057549E-01  14.10471  
1 1 1 -29 35  4  o 20.504  8.8805  104.168    363.530  -296.3702  512.698  509.148    515.532  19.409  9.1865  27.808  11.180  -8.398386      14.47045  
1 1 1 -29 35  5  o 54.885  4.3574  1722.48    256.895  1631.21    284.240  2129.54    600.278  52.954  5.0156  54.915  10.475  -1.961330      11.61345  
1 1 1 -29 35  6  o 43.804  5.1834  1125.79    241.153  1138.44    268.122  1072.26    551.717  43.632  5.8186  36.656  12.029  6.976349       13.36236  
1 1 1 -29 35  7  o 13.175  6.1138  -131.4976  208.829  -48.0681   232.450  -480.5546  475.465  15.130  6.7985  17.345  8.3771  -2.215019      10.78864  
1 1 1 -29 35  8  o 22.737  7.6534  325.249    223.015  360.966    250.049  186.343    493.115  23.751  8.1035  23.273  10.206  0.4782658      13.03218  
1 1 1 -29 35  9  o 21.494  1.7824  254.172    41.121   252.368    255.755  254.220    41.663   21.137  8.0542  21.492  1.8066  -0.3548279     8.254296  
1 1 1 -29 35  10 o 23.562  8.2690  357.079    261.111  269.944    303.841  603.170    510.622  21.985  8.6668  28.566  11.243  -6.580856      14.19609  
1 1 1 -29 35  11 o 26.112  8.3990  461.803    269.701  452.178    317.011  487.023    513.176  25.731  9.1036  26.756  11.006  -1.025229      14.28307  
1 1 1 -29 35  12 o 20.627  8.5820  193.373    316.972  193.373    316.972  0.0000     0.0000   20.627  8.5820  ?       ?       0.000000       8.582030  
1 1 1 -29 35  13 f 21.068  8.4362  241.694    292.213  241.694    292.213  0.0000     0.0000   21.068  8.4362  ?       ?       0.000000       8.436229  
1 1 1 -29 35  14 o 29.037  8.7941  596.550    300.389  596.550    300.389  0.0000     0.0000   29.037  8.7941  ?       ?       0.000000       8.794142  
1 1 1 -29 36  1  o 19.992  8.5644  114.739    331.039  270.267    417.648  -148.1099  542.950  23.557  9.8302  20.989  9.7795  2.567478       13.86619  
1 1 1 -29 36  2  o 29.874  9.5164  621.610    346.880  677.082    434.645  524.298    575.681  30.482  10.670  28.171  11.630  2.311316       15.78331  
1 1 1 -29 36  3  o 29.571  9.5598  608.453    349.069  669.407    434.334  497.261    586.621  30.355  10.664  27.911  11.649  2.443617       15.79314  
1 1 1 -29 36  4  o 52.682  8.0066  1779.42    442.475  2054.64    677.111  1574.30    584.552  51.387  12.324  45.288  11.799  6.098991       17.06178  
1 1 1 -29 36  5  o 27.135  8.1840  485.672    260.549  521.438    296.617  364.850    545.173  27.822  8.7934  26.025  11.066  1.796659       14.13401  
1 1 1 -29 36  6  o 13.507  6.1737  -88.9487   201.865  -90.2316   218.518  -81.4810   527.207  14.074  6.4291  21.260  9.8119  -7.186001      11.73057  
1 1 1 -29 36  7  o 21.157  7.4986  268.201    215.173  301.923    239.238  125.426    492.269  22.215  7.9032  22.627  10.048  -0.4118881     12.78369  
1 1 1 -29 36  8  o 18.033  7.2525  139.698    216.998  77.677     241.682  397.638    492.870  17.381  7.3781  25.804  10.716  -8.423471      13.01024  
1 1 1 -29 36  9  o 12.579  5.9612  -202.5526  217.246  -249.0286  242.841  -16.2848   486.157  12.983  6.1952  20.979  9.5860  -7.995955      11.41364  
1 1 1 -29 36  10 f 21.631  8.1298  277.165    258.436  280.540    300.369  267.545    507.106  22.121  8.6484  24.091  10.461  -1.969908      13.57323  
1 1 1 -29 36  11 o 21.117  8.5281  230.575    301.397  230.575    301.397  0.0000     0.0000   21.117  8.5281  ?       ?       0.000000       8.528097  
1 1 1 -29 36  12 o 18.584  7.7469  134.065    258.986  134.065    258.986  0.0000     0.0000   18.584  7.7469  ?       ?       0.000000       7.746894  
1 1 1 -29 36  13 o 16.819  7.4264  19.302     265.208  19.302     265.208  0.0000     0.0000   16.819  7.4264  ?       ?       0.000000       7.426411  
1 1 1 -29 36  14 f 20.922  8.1063  252.639    262.076  252.639    262.076  0.0000     0.0000   20.922  8.1063  ?       ?       0.000000       8.106322  
1 1 1 -29 37  1  o 33.670  9.4033  792.643    356.089  868.447    454.209  671.746    573.607  33.927  10.898  29.964  11.878  3.962692       16.11991  
1 1 1 -29 37  2  o 17.092  7.8241  -98.6103   325.833  -121.0219  402.250  -55.8443   555.659  18.612  8.5833  21.907  10.097  -3.294086      13.25259  
1 1 1 -29 37  3  o 25.405  9.4112  416.525    343.876  702.086    428.791  -98.1451   575.653  30.940  10.611  21.873  10.150  9.066488       14.68422  
1 1 1 -29 37  4  o 37.657  9.5861  990.863    391.997  1165.30    554.055  816.036    554.682  38.204  12.011  32.216  11.949  5.988461       16.94226  
1 1 1 -29 37  5  o 25.281  10.042  390.299    410.822  459.850    631.325  339.218    541.046  27.578  11.821  25.613  10.960  1.965197       16.12017  
1 1 1 -29 37  6  o 17.586  7.4911  75.122     250.695  -19.3558   283.573  413.149    536.384  16.964  7.5736  26.382  11.084  -9.418352      13.42418  
1 1 1 -29 37  7  o 23.071  7.5422  337.890    216.975  376.085    240.660  171.999    501.548  24.131  7.9459  23.195  10.229  0.9364452      12.95236  
1 1 1 -29 37  8  o 19.886  1.7032  217.509    36.331   135.967    235.523  219.497    36.772   18.328  7.4878  19.976  1.7163  -1.647919      7.682004  
1 1 1 -29 37  9  o 26.499  7.9284  466.097    245.250  395.408    278.849  707.548    515.355  24.532  8.5488  30.175  11.449  -5.643078      14.28822  
1 1 1 -29 37  10 o 34.866  7.9414  805.904    293.191  805.904    293.191  0.0000     0.0000   34.866  7.9414  ?       ?       0.000000       7.941414  
1 1 1 -29 37  11 o 21.099  8.3678  242.400    284.828  242.400    284.828  0.0000     0.0000   21.099  8.3678  ?       ?       0.000000       8.367777  
1 1 1 -29 37  12 o 17.779  7.5766  91.505     256.641  91.505     256.641  0.0000     0.0000   17.779  7.5766  ?       ?       0.000000       7.576580  
1 1 1 -29 37  13 o 13.772  6.5262  -217.1175  260.333  -217.1175  260.333  0.0000     0.0000   13.772  6.5262  ?       ?       0.000000       6.526233  
1 1 1 -29 37  14 o 21.103  8.6404  229.273    314.456  229.273    314.456  0.0000     0.0000   21.103  8.6404  ?       ?       0.000000       8.640442  
1 1 1 -29 38  1  o 53.081  6.9793  1752.32    391.529  1752.37    506.612  1752.25    616.965  50.317  9.6470  47.246  12.026  3.070156       15.41705  
1 1 1 -29 38  2  o 56.026  6.6949  1928.69    398.211  2166.18    512.033  1565.22    633.460  57.482  8.4788  43.581  12.665  13.90159       15.24131  
1 1 1 -29 38  3  o 56.246  6.6574  1940.43    397.703  1678.32    505.722  2365.25    643.837  49.050  9.8612  57.240  10.781  -8.190273      14.61039  
1 1 1 -29 38  4  o 68.841  6.1392  2851.21    452.948  3234.40    639.443  2465.33    641.692  70.184  8.5913  58.895  10.442  11.28904       13.52201  
1 1 1 -29 38  5  o 34.478  9.9508  856.976    392.242  803.416    546.883  913.718    562.891  31.857  11.855  33.509  12.100  -1.652004      16.93966  
1 1 1 -29 38  6  o 23.394  9.5180  296.899    378.564  36.682     527.877  572.434    543.192  22.197  10.083  28.423  11.459  -6.225389      15.26351  
1 1 1 -29 38  7  f 16.877  7.9731  -253.8968  382.951  -458.5847  632.801  -135.6173  481.034  20.173  9.7232  19.884  9.2446  0.2886124      13.41654  
1 1 1 -29 38  8  o 18.947  7.4020  179.838    219.913  151.399    244.994  297.793    498.947  18.805  7.6547  24.475  10.500  -5.669607      12.99434  
1 1 1 -29 38  9  o 13.914  6.3952  -101.3704  220.760  -78.6720   247.114  -191.0835  491.278  15.055  6.8615  19.495  9.1540  -4.440229      11.44009  
1 1 1 -29 38  10 o 41.605  6.3841  1069.58    278.498  1069.58    278.498  0.0000     0.0000   41.605  6.3841  ?       ?       0.000000       6.384054  
1 1 1 -29 38  11 o 35.277  8.1154  836.981    303.621  836.981    303.621  0.0000     0.0000   35.277  8.1154  ?       ?       0.000000       8.115381  
1 1 1 -29 38  12 o 12.553  6.1229  -395.3163  271.091  -395.3163  271.091  0.0000     0.0000   12.553  6.1229  ?       ?       0.000000       6.122925  
1 1 1 -29 38  13 o 24.606  8.5491  409.168    278.770  409.168    278.770  0.0000     0.0000   24.606  8.5491  ?       ?       0.000000       8.549130  
1 1 1 -29 39  1  o 17.845  8.0645  -41.0591   332.570  26.511     418.389  -157.0220  548.103  20.345  9.1329  20.837  9.7472  -0.4913101     13.35731  
1 1 1 -29 39  2  o 25.321  9.4301  418.524    346.167  486.325    435.198  301.732    571.183  26.843  10.433  25.302  11.043  1.540632       15.19240  
1 1 1 -29 39  3  o 17.305  7.9125  -87.9204   331.909  12.036     408.017  -283.4587  570.674  20.029  9.0029  20.323  9.6402  -0.2942371     13.19038  
1 1 1 -29 39  4  o 20.685  9.1373  78.158     401.876  -600.1151  628.633  546.944    522.615  19.389  9.4271  28.029  11.261  -8.640322      14.68632  
1 1 1 -29 39  5  o 23.511  9.5210  305.627    376.772  475.240    523.620  123.524    542.557  27.036  11.119  23.203  10.409  3.833090       15.23088  
1 1 1 -29 39  6  o 33.811  10.019  832.088    393.071  736.131    545.132  936.010    567.303  30.695  11.744  33.685  12.150  -2.990448      16.89771  
1 1 1 -29 39  7  o 26.148  10.841  425.828    503.211  0.0000     0.0000   425.828    503.211  ?       ?       26.148  10.841  0.000000       10.84067  
1 1 1 -29 39  8  o 19.561  9.1762  -186.8892  491.580  0.0000     0.0000   -186.8892  491.580  ?       ?       19.561  9.1762  0.000000       9.176165  
1 1 1 -29 39  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 39  10 f 26.971  8.4833  498.458    276.361  498.458    276.361  0.0000     0.0000   26.971  8.4833  ?       ?       0.000000       8.483283  
1 1 1 -29 39  11 f 17.617  7.4642  93.837     246.601  93.837     246.601  0.0000     0.0000   17.617  7.4642  ?       ?       0.000000       7.464216  
1 1 1 -29 39  12 o 28.395  8.2684  552.394    269.746  552.394    269.746  0.0000     0.0000   28.395  8.2684  ?       ?       0.000000       8.268432  
1 1 1 -29 39  13 o 32.649  8.1751  725.130    288.443  725.130    288.443  0.0000     0.0000   32.649  8.1751  ?       ?       0.000000       8.175073  
1 1 1 -29 40  1  o 32.118  9.5533  736.026    356.851  864.252    456.432  534.408    572.340  33.529  10.938  27.863  11.557  5.665140       15.91267  
1 1 1 -29 40  2  o 67.178  5.9771  2709.74    430.355  2370.16    557.569  3210.16    676.857  59.447  8.9361  68.667  9.3434  -9.220104      12.92876  
1 1 1 -29 40  3  o 54.014  6.9621  1815.91    397.825  1861.12    509.066  1744.99    637.611  52.149  9.3565  46.411  12.434  5.738533       15.56094  
1 1 1 -29 40  4  o 18.002  8.2401  -84.4732   361.343  -15.9660   504.595  -156.5820  517.690  21.327  9.7532  20.342  9.5019  0.9850445      13.61653  
1 1 1 -29 40  5  o 57.458  3.3289  1850.66    206.284  2789.86    598.253  1723.93    219.761  64.758  8.7538  55.233  3.6948  9.525280       9.501581  
1 1 1 -29 40  6  o 55.507  10.921  2266.90    633.189  0.0000     0.0000   2266.90    633.189  ?       ?       55.507  10.921  0.000000       10.92115  
1 1 1 -29 40  7  o 21.394  9.7077  28.382     487.686  0.0000     0.0000   28.382     487.686  ?       ?       21.394  9.7077  0.000000       9.707738  
1 1 1 -29 40  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 40  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 40  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 40  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 40  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  1  o 26.445  9.5704  479.991    352.430  648.024    450.682  215.494    565.436  29.438  10.797  24.203  10.757  5.234545       15.24107  
1 1 1 -29 41  2  o 21.484  9.2378  165.671    387.724  218.680    523.689  101.366    576.800  23.838  10.485  23.293  10.565  0.5455265      14.88416  
1 1 1 -29 41  3  o 21.634  8.9477  219.967    341.648  -26.8691   423.299  681.253    578.666  19.827  9.0149  29.765  11.888  -9.937696      14.91974  
1 1 1 -29 41  4  o 19.283  9.1384  -275.5275  510.581  0.0000     0.0000   -275.5275  510.581  ?       ?       19.283  9.1384  0.000000       9.138366  
1 1 1 -29 41  5  o 25.532  10.984  351.953    548.565  0.0000     0.0000   351.953    548.565  ?       ?       25.532  10.984  0.000000       10.98361  
1 1 1 -29 41  6  o 22.030  10.083  15.054     540.787  0.0000     0.0000   15.054     540.787  ?       ?       22.030  10.083  0.000000       10.08268  
1 1 1 -29 41  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 41  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  1  o 80.620  8.6758  4330.17    745.644  0.0000     0.0000   4330.17    745.644  ?       ?       80.620  8.6758  0.000000       8.675829  
1 1 1 -29 42  2  o 63.157  10.357  2858.34    683.875  0.0000     0.0000   2858.34    683.875  ?       ?       63.157  10.357  0.000000       10.35652  
1 1 1 -29 42  3  o 28.823  11.854  615.242    595.109  0.0000     0.0000   615.242    595.109  ?       ?       28.823  11.854  0.000000       11.85359  
1 1 1 -29 42  4  o 34.573  12.374  1016.66    587.323  0.0000     0.0000   1016.66    587.323  ?       ?       34.573  12.374  0.000000       12.37416  
1 1 1 -29 42  5  o 23.889  10.564  214.415    538.691  0.0000     0.0000   214.415    538.691  ?       ?       23.889  10.564  0.000000       10.56449  
1 1 1 -29 42  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 42  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  1  o 22.048  10.117  12.815     549.456  0.0000     0.0000   12.815     549.456  ?       ?       22.048  10.117  0.000000       10.11746  
1 1 1 -29 43  2  o 24.448  10.841  242.673    571.041  0.0000     0.0000   242.673    571.041  ?       ?       24.448  10.841  0.000000       10.84096  
1 1 1 -29 43  3  o 21.336  9.9594  -110.8896  567.203  0.0000     0.0000   -110.8896  567.203  ?       ?       21.336  9.9594  0.000000       9.959359  
1 1 1 -29 43  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 43  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 44  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 45  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 46  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 47  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 48  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 49  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 49  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 49  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 49  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -29 49  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 0   1  o 79.415  4.9650  3506.17    423.239  3506.17    423.239  3506.17    423.239  79.415  4.9650  79.415  4.9650  0.000000       0.000000  
1 1 1 -28 0   2  o 55.186  5.9809  1740.51    346.852  1740.51    346.852  1740.51    346.852  55.186  5.9809  55.186  5.9809  -0.000000      0.000000  
1 1 1 -28 0   3  o 15.475  9.2752  152.593    278.231  152.593    278.231  152.593    278.231  15.475  9.2752  15.475  9.2752  0.000000       0.000000  
1 1 1 -28 0   4  o 55.964  6.3212  1798.67    370.562  1798.67    370.562  1798.67    370.562  55.964  6.3212  55.964  6.3212  0.000000       0.000000  
1 1 1 -28 0   5  o 74.143  5.4369  3077.35    431.216  3077.35    431.216  3077.35    431.216  74.143  5.4369  74.143  5.4369  0.000000       0.000000  
1 1 1 -28 0   6  o 57.912  5.9139  1909.75    362.080  1909.75    362.080  1909.75    362.080  57.912  5.9139  57.912  5.9139  0.000000       0.000000  
1 1 1 -28 0   7  o 11.228  7.7382  -210.6154  312.558  -210.6154  312.558  -210.6154  312.558  11.228  7.7382  11.228  7.7382  -0.000000      0.000000  
1 1 1 -28 0   8  o 69.412  6.2383  2735.32    460.287  2735.32    460.287  2735.32    460.287  69.412  6.2383  69.412  6.2383  0.000000       0.000000  
1 1 1 -28 0   9  o 24.940  11.251  521.538    326.176  521.538    326.176  521.538    326.176  24.940  11.251  24.940  11.251  -0.000000      0.000000  
1 1 1 -28 0   10 o 33.390  10.179  785.109    321.520  785.109    321.520  785.109    321.520  33.390  10.179  33.390  10.179  0.000000       0.000000  
1 1 1 -28 0   11 o 30.988  10.345  703.094    309.514  703.094    309.514  703.094    309.514  30.988  10.345  30.988  10.345  -0.000000      0.000000  
1 1 1 -28 0   12 o 19.653  11.243  323.528    377.751  323.528    377.751  323.528    377.751  19.653  11.243  19.653  11.243  0.000000       0.000000  
1 1 1 -28 0   13 o 65.623  5.3155  2441.25    372.105  2441.25    372.105  2441.25    372.105  65.623  5.3155  65.623  5.3155  0.000000       0.000000  
1 1 1 -28 0   14 o 83.279  5.1027  3906.75    456.307  3906.75    456.307  3906.75    456.307  83.279  5.1027  83.279  5.1027  -0.000000      0.000000  
1 1 1 -28 0   15 o 29.270  11.121  691.815    331.389  691.815    331.389  691.815    331.389  29.270  11.121  29.270  11.121  0.000000       0.000000  
1 1 1 -28 0   16 o 11.478  7.8213  -124.5648  299.495  -124.5648  299.495  -124.5648  299.495  11.478  7.8213  11.478  7.8213  0.000000       0.000000  
1 1 1 -28 0   17 f 17.066  10.048  242.652    316.028  242.652    316.028  242.652    316.028  17.066  10.048  17.066  10.048  -0.000000      0.000000  
1 1 1 -28 0   18 o 17.815  10.328  281.902    325.477  281.902    325.477  281.902    325.477  17.815  10.328  17.815  10.328  -0.000000      0.000000  
1 1 1 -28 0   19 o 17.253  10.174  260.540    324.839  260.540    324.839  260.540    324.839  17.253  10.174  17.253  10.174  -0.000000      0.000000  
1 1 1 -28 0   20 o 38.998  9.6558  1061.97    353.020  1061.97    353.020  1061.97    353.020  38.998  9.6558  38.998  9.6558  0.000000       0.000000  
1 1 1 -28 0   21 o 34.864  10.607  922.907    349.741  922.907    349.741  922.907    349.741  34.864  10.607  34.864  10.607  -0.000000      0.000000  
1 1 1 -28 1   1  o 37.111  5.5868  789.449    217.597  718.520    320.861  849.847    296.087  34.249  8.6479  37.772  7.5019  -3.522408      11.44834  
1 1 1 -28 1   2  o 14.576  6.6098  -106.8720  225.624  -137.6020  315.545  -74.7248   322.739  17.189  7.8032  18.185  8.1021  -0.9954929     11.24872  
1 1 1 -28 1   3  o 38.443  5.4848  844.206    221.903  1058.27    302.632  595.286    326.343  42.591  6.7883  31.176  9.0993  11.41430       11.35242  
1 1 1 -28 1   4  o 38.235  5.6725  838.182    227.791  956.898    310.232  699.302    335.547  40.195  7.3987  33.695  9.0168  6.499321       11.66371  
1 1 1 -28 1   5  o 16.081  6.8980  9.3703     215.264  278.461    291.452  -313.6203  319.310  23.460  8.6694  15.438  7.2893  8.022029       11.32668  
1 1 1 -28 1   6  o 95.842  3.4468  5047.38    357.805  4946.59    504.351  5149.50    507.690  94.031  4.9698  95.988  4.8996  -1.956680      6.978866  
1 1 1 -28 1   7  o 50.582  4.7129  1435.33    255.226  1657.29    372.089  1238.10    350.743  53.566  6.5498  45.850  7.3081  7.715847       9.813710  
1 1 1 -28 1   8  o 69.111  3.9912  2648.28    297.484  2745.13    418.841  2549.68    422.596  69.596  5.6039  66.901  5.8922  2.694199       8.131519  
1 1 1 -28 1   9  o 25.733  8.0117  394.028    247.197  235.831    319.499  629.961    390.179  22.939  8.9330  31.737  10.091  -8.797724      13.47699  
1 1 1 -28 1   10 o 16.319  6.8029  53.056     199.725  101.845    289.641  8.8261     275.778  19.779  8.2143  17.870  7.7372  1.909246       11.28449  
1 1 1 -28 1   11 f 44.016  5.0465  1103.52    236.237  1239.74    326.422  953.700    342.324  45.833  6.7801  39.307  8.3011  6.526340       10.71809  
1 1 1 -28 1   12 o 59.584  4.7230  2008.85    302.303  1960.54    414.418  2063.79    441.953  57.595  6.7727  58.893  7.0699  -1.297977      9.790426  
1 1 1 -28 1   13 o 66.764  4.1380  2504.61    297.757  2562.32    360.811  2381.39    527.208  66.975  5.0102  62.143  8.0199  4.831135       9.456312  
1 1 1 -28 1   14 o 18.072  7.2033  133.933    212.046  47.480     312.321  207.862    288.815  18.923  8.2135  21.135  8.4122  -2.212051      11.75698  
1 1 1 -28 1   15 f 26.856  7.1534  455.927    211.804  303.754    298.616  609.990    300.466  23.005  8.7179  30.245  8.7034  -7.240143      12.31878  
1 1 1 -28 1   16 o 23.313  7.8015  340.671    231.716  267.527    340.133  404.017    316.531  22.678  9.0943  25.139  9.0742  -2.460896      12.84705  
1 1 1 -28 1   17 f 21.235  7.6204  268.607    222.879  366.777    315.010  170.200    315.388  24.175  8.9972  20.515  8.5500  3.660175       12.41180  
1 1 1 -28 1   18 o 16.928  7.1599  77.661     226.282  180.709    319.180  -26.4678   320.848  20.583  8.5919  17.664  7.9576  2.919155       11.71084  
1 1 1 -28 1   19 o 20.697  7.7180  255.210    232.026  496.262    325.890  7.4040     330.424  26.472  9.2409  18.132  8.1295  8.339506       12.30778  
1 1 1 -28 1   20 o 25.101  7.8065  428.248    234.769  400.682    330.770  456.234    333.271  24.205  9.1747  25.326  9.2850  -1.121639      13.05322  
1 1 1 -28 1   21 o 17.382  7.2679  115.737    228.951  242.445    322.280  -13.3670   325.313  21.077  8.7017  17.498  7.9355  3.578764       11.77676  
1 1 1 -28 2   1  o 31.394  6.6923  581.911    220.605  630.224    309.695  532.144    314.323  32.083  8.6952  29.607  9.0023  2.475588       12.51586  
1 1 1 -28 2   2  o 15.772  6.9238  -33.0159   227.438  -57.4823   315.582  -6.5741    328.074  18.206  8.0668  19.251  8.3867  -1.045328      11.63660  
1 1 1 -28 2   3  o 24.052  7.5187  336.370    217.462  420.361    304.052  248.412    311.148  26.865  8.9354  23.172  8.8708  3.692522       12.59095  
1 1 1 -28 2   4  o 19.658  7.4848  170.937    220.760  216.703    308.761  123.073    315.760  22.501  8.7763  20.947  8.6268  1.554558       12.30628  
1 1 1 -28 2   5  o 23.776  7.9995  318.554    243.641  610.696    361.358  75.053     329.907  31.507  9.6665  20.503  8.6572  11.00400       12.97646  
1 1 1 -28 2   6  o 44.840  5.2481  1139.41    250.061  1268.04    351.486  1007.57    355.832  46.478  7.2161  40.819  8.3305  5.659454       11.02134  
1 1 1 -28 2   7  o 74.204  3.9413  3048.03    315.625  2950.10    459.926  3135.20    433.928  72.012  5.9501  74.556  5.4105  -2.543762      8.042157  
1 1 1 -28 2   8  o 72.224  3.7027  2882.29    288.672  2726.60    405.648  3042.03    410.891  69.447  5.4363  73.507  5.1944  -4.059219      7.518975  
1 1 1 -28 2   9  o 52.048  4.8454  1525.92    270.016  1673.03    379.904  1375.75    383.848  53.628  6.6857  48.073  7.6266  5.554821       10.14217  
1 1 1 -28 2   10 o 32.083  6.6527  611.979    223.589  347.173    313.257  886.985    319.233  25.033  9.0285  38.157  7.9809  -13.12379      12.05027  
1 1 1 -28 2   11 o 21.705  7.7695  253.814    231.554  -124.5742  295.886  851.733    371.944  16.564  7.5336  36.549  9.3561  -19.98432      12.01213  
1 1 1 -28 2   12 o 16.802  6.8440  86.409     196.022  74.863     230.505  116.571    372.570  17.560  7.3132  21.620  9.1682  -4.060022      11.72764  
1 1 1 -28 2   13 o 18.931  7.4342  155.347    222.761  -28.7078   266.763  579.359    404.895  16.766  7.4233  29.741  10.305  -12.97513      12.70024  
1 1 1 -28 2   14 o 28.018  6.9748  488.487    210.833  496.787    297.068  480.063    299.271  27.643  8.8068  27.225  8.8557  0.4171295      12.48936  
1 1 1 -28 2   15 o 39.834  5.3602  933.445    225.394  1056.35    320.589  813.319    316.951  40.971  7.5007  35.184  8.4281  5.787655       11.28248  
1 1 1 -28 2   16 o 41.342  5.4546  1010.49    238.281  1135.24    335.690  883.799    338.287  42.300  7.6066  36.368  8.7041  5.932129       11.55948  
1 1 1 -28 2   17 o 21.930  7.8188  292.086    234.278  443.193    344.484  162.056    319.556  25.861  9.4461  20.449  8.5711  5.412062       12.75515  
1 1 1 -28 2   18 o 81.593  3.7038  3754.38    327.313  3818.15    475.408  3696.91    451.312  80.245  5.5031  79.215  5.2906  1.029739       7.633779  
1 1 1 -28 2   19 o 58.417  4.3107  1969.25    270.819  1884.92    378.937  2057.28    387.187  55.109  6.4717  57.792  6.2871  -2.682377      9.022753  
1 1 1 -28 2   20 o 31.045  7.4528  642.861    247.424  581.560    363.304  695.887    337.897  27.788  9.7537  30.649  9.3370  -2.861509      13.50239  
1 1 1 -28 2   21 o 29.997  7.4344  606.218    240.324  758.592    340.048  454.163    339.692  31.855  9.2858  25.062  9.3400  6.793324       13.17043  
1 1 1 -28 3   1  o 24.805  7.6619  360.831    226.588  424.872    333.399  305.860    308.889  27.179  9.3546  24.308  8.9348  2.870808       12.93600  
1 1 1 -28 3   2  o 50.178  4.6225  1409.91    248.396  1148.49    332.563  1739.78    373.572  44.214  7.1917  55.012  6.3887  -10.79779      9.619529  
1 1 1 -28 3   3  o 17.849  7.1801  101.262    212.738  67.107     295.801  137.856    306.181  19.510  8.2156  20.981  8.5507  -1.470638      11.85793  
1 1 1 -28 3   4  o 37.003  6.1388  793.100    237.409  1034.23    363.900  614.416    313.258  41.347  8.4121  31.681  8.8097  9.666174       12.18093  
1 1 1 -28 3   5  o 26.018  7.5469  402.291    225.109  240.747    324.610  551.952    312.444  23.256  9.0187  30.104  8.9356  -6.848440      12.69575  
1 1 1 -28 3   6  o 45.121  5.2156  1152.99    250.193  1120.17    348.969  1187.70    358.892  43.401  7.7060  44.729  7.6851  -1.327812      10.88311  
1 1 1 -28 3   7  o 53.080  4.6658  1578.54    265.522  1368.74    371.621  1797.34    379.513  48.230  7.3461  55.891  6.3838  -7.661022      9.732266  
1 1 1 -28 3   8  o 21.909  7.8993  249.949    239.769  320.538    343.611  182.960    334.732  25.034  9.3810  22.325  8.9974  2.708689       12.99836  
1 1 1 -28 3   9  o 55.537  4.5100  1727.23    268.940  1791.23    388.471  1668.31    372.697  55.565  6.5828  53.619  6.5540  1.946423       9.289166  
1 1 1 -28 3   10 o 42.708  5.2791  1041.49    238.997  1125.55    321.876  938.209    356.800  43.591  7.0587  38.901  8.6877  4.690411       11.19386  
1 1 1 -28 3   11 o 38.900  6.1873  886.171    251.954  995.275    330.129  733.965    389.923  40.434  7.8210  33.700  9.9775  6.734058       12.67752  
1 1 1 -28 3   12 o 29.455  6.8638  526.557    214.917  457.133    244.519  762.339    450.619  27.187  7.8596  33.705  10.858  -6.518496      13.40417  
1 1 1 -28 3   13 o 22.569  7.6201  300.776    221.085  89.418     261.689  827.791    413.225  18.533  7.7616  34.912  10.253  -16.37888      12.85972  
1 1 1 -28 3   14 o 18.672  7.0568  174.154    195.325  203.114    263.399  138.772    291.144  20.595  8.0852  19.903  8.2482  0.6925430      11.55002  
1 1 1 -28 3   15 o 22.292  7.4891  303.568    213.540  494.728    307.066  124.541    297.160  27.326  8.9743  19.630  8.2485  7.696129       12.18922  
1 1 1 -28 3   16 o 12.961  6.0532  -153.8418  209.976  -26.3735   297.709  -280.0209  296.199  17.324  7.7453  14.472  6.8878  2.852158       10.36489  
1 1 1 -28 3   17 o 38.903  5.8567  911.976    239.127  944.135    338.961  880.113    337.398  37.579  8.5238  36.066  8.7309  1.513245       12.20180  
1 1 1 -28 3   18 o 67.457  3.9518  2587.89    287.470  2096.85    403.315  3094.98    409.853  58.406  6.4850  72.493  5.2556  -14.08664      8.347256  
1 1 1 -28 3   19 o 24.024  7.9597  384.147    241.363  559.425    323.286  163.407    362.798  27.914  9.2103  20.764  8.9323  7.150345       12.83023  
1 1 1 -28 3   20 o 37.580  6.2647  884.233    246.013  818.392    343.352  953.694    352.665  33.484  9.1891  36.510  8.9804  -3.025711      12.84863  
1 1 1 -28 3   21 o 19.737  7.7552  220.003    242.541  -46.9068   326.505  548.618    362.287  17.138  7.8402  26.873  9.7067  -9.735889      12.47755  
1 1 1 -28 4   1  o 44.058  5.5704  1106.50    259.879  755.569    372.193  1440.36    363.027  34.817  9.5724  49.731  6.9279  -14.91383      11.81636  
1 1 1 -28 4   2  o 17.294  7.0287  84.949     206.171  392.179    283.021  -262.4239  300.944  26.017  8.6193  15.347  7.1931  10.67017       11.22639  
1 1 1 -28 4   3  o 21.673  7.6736  247.708    225.280  -74.2230   295.652  693.393    347.867  17.389  7.7505  33.488  9.2734  -16.09964      12.08577  
1 1 1 -28 4   4  o 19.750  7.6611  161.309    234.294  -113.9801  346.067  394.266    318.349  18.363  8.2691  26.375  9.1375  -8.012579      12.32358  
1 1 1 -28 4   5  o 41.639  5.8940  995.477    258.392  803.016    342.884  1248.42    393.081  36.158  8.8314  45.595  8.2639  -9.437778      12.09485  
1 1 1 -28 4   6  o 20.871  7.6322  217.061    224.977  380.611    311.575  38.904     325.193  25.986  9.0376  19.825  8.4905  6.160753       12.40027  
1 1 1 -28 4   7  o 98.673  3.4032  5349.67    363.712  5406.91    521.685  5295.52    507.348  98.448  4.8925  97.479  4.8053  0.9689636      6.857691  
1 1 1 -28 4   8  o 66.316  4.0005  2439.66    285.997  2567.26    389.556  2290.48    421.218  67.398  5.3813  63.190  6.2358  4.208515       8.236698  
1 1 1 -28 4   9  o 21.478  7.8824  234.026    240.272  370.668    337.968  94.387     341.654  25.896  9.3720  20.959  8.8277  4.937019       12.87490  
1 1 1 -28 4   10 o 57.214  4.3866  1832.56    269.763  1765.19    353.558  1926.41    417.327  55.380  5.9897  57.377  6.8509  -1.996231      9.100068  
1 1 1 -28 4   11 o 21.511  7.7020  248.851    227.556  505.266    299.098  -103.5446  350.636  28.548  8.8004  18.369  8.2929  10.17865       12.09210  
1 1 1 -28 4   12 o 44.742  4.8580  1140.98    231.637  1132.71    264.546  1168.15    479.544  44.198  5.6560  41.724  10.593  2.474026       12.00803  
1 1 1 -28 4   13 o 22.452  7.6520  296.170    222.962  211.877    261.361  521.494    427.314  20.927  8.0989  28.671  10.513  -7.744211      13.27114  
1 1 1 -28 4   14 o 13.039  6.1020  -170.2156  215.176  -174.4153  257.125  -160.4011  393.067  14.453  6.7325  18.343  8.4681  -3.890581      10.81832  
1 1 1 -28 4   15 o 30.467  6.8188  578.390    219.399  676.588    313.961  484.669    306.721  31.771  8.8142  27.082  8.9729  4.688263       12.57792  
1 1 1 -28 4   16 o 46.166  4.9124  1238.21    241.858  1351.18    342.816  1126.26    341.267  46.728  6.9882  41.977  7.7930  4.750732       10.46733  
1 1 1 -28 4   17 o 61.016  4.1094  2119.89    269.998  1898.16    380.072  2345.78    383.622  55.840  6.3998  62.822  5.7001  -6.981834      8.570174  
1 1 1 -28 4   18 o 43.006  5.4136  1102.36    246.579  1483.47    345.523  706.837    351.999  48.854  6.7068  31.352  9.5252  17.50285       11.64946  
1 1 1 -28 4   19 o 23.936  7.9709  381.119    241.932  520.217    323.209  203.869    364.851  27.006  9.2130  21.364  9.0669  5.642590       12.92624  
1 1 1 -28 4   20 o 39.289  6.0136  955.633    247.760  853.566    345.945  1063.11    355.002  34.268  9.1490  39.021  8.6288  -4.752380      12.57619  
1 1 1 -28 4   21 o 25.040  7.8696  432.167    237.873  373.829    333.528  492.561    339.354  23.503  9.1342  25.849  9.3856  -2.345922      13.09666  
1 1 1 -28 5   1  f 66.225  3.9288  2428.38    280.549  2362.13    385.164  2503.24    409.464  64.610  5.5580  66.427  5.7478  -1.816711      7.995545  
1 1 1 -28 5   2  o 36.833  6.2287  787.572    239.625  618.415    324.806  989.593    354.959  31.737  9.0223  40.431  8.3811  -8.693754      12.31439  
1 1 1 -28 5   3  o 23.279  7.7272  306.377    227.430  31.558     298.019  689.624    351.933  18.996  8.1315  33.379  9.3576  -14.38277      12.39702  
1 1 1 -28 5   4  o 18.213  7.4389  91.900     232.368  104.632    341.521  80.926     317.076  21.244  8.8793  20.278  8.5207  0.9655209      12.30623  
1 1 1 -28 5   5  o 19.587  7.5565  162.005    226.971  40.123     312.038  298.941    330.750  19.504  8.3341  24.494  9.1989  -4.990387      12.41274  
1 1 1 -28 5   6  o 72.325  3.7878  2890.51    295.683  3018.29    412.383  2755.31    424.186  73.258  5.2317  69.756  5.6633  3.501678       7.709965  
1 1 1 -28 5   7  f 106.312 3.3599  6208.02    386.878  6477.86    533.499  5908.73    561.859  107.960 4.5625  102.816 5.0454  5.144592       6.802385  
1 1 1 -28 5   8  f 47.770  4.9716  1288.10    253.457  1313.63    363.520  1263.95    353.571  47.166  7.3559  46.279  7.2955  0.8869667      10.36019  
1 1 1 -28 5   9  o 23.909  7.9864  328.217    242.828  598.085    338.977  43.752     348.024  31.017  9.3303  20.353  8.7519  10.66423       12.79258  
1 1 1 -28 5   10 o 36.377  6.1884  774.334    235.093  1270.35    309.883  101.743    360.849  46.752  6.2784  21.419  9.0495  25.33312       11.01413  
1 1 1 -28 5   11 o 75.422  3.3895  3137.09    276.885  3121.26    348.791  3164.06    455.308  74.694  4.3299  74.350  5.6973  0.3440475      7.155947  
1 1 1 -28 5   12 o 38.138  5.6704  847.601    227.097  936.906    260.591  565.633    463.041  39.849  6.2427  29.960  10.950  9.889324       12.60484  
1 1 1 -28 5   13 o 99.678  3.4658  5511.05    374.177  5718.40    439.974  4969.13    711.292  101.126 4.0169  90.843  7.2906  10.28284       8.323963  
1 1 1 -28 5   14 o 15.177  6.6945  -19.0458   214.958  -111.6009  254.540  211.084    401.368  15.124  6.9201  22.950  9.6120  -7.826572      11.84391  
1 1 1 -28 5   15 o 20.264  7.5205  225.400    219.786  127.277    328.622  304.815    295.636  20.286  8.6071  22.983  8.6829  -2.697079      12.22594  
1 1 1 -28 5   16 o 29.688  7.0088  556.334    221.758  706.159    317.210  413.119    310.135  32.328  8.8161  25.311  8.9991  7.016325       12.59790  
1 1 1 -28 5   17 o 20.783  7.6185  250.843    224.367  445.843    314.848  49.642     319.815  25.855  9.0797  18.757  8.2230  7.097731       12.24987  
1 1 1 -28 5   18 o 34.284  6.6280  737.046    237.215  891.475    331.343  574.671    339.762  36.189  8.5833  28.433  9.4450  7.756124       12.76248  
1 1 1 -28 5   19 o 29.766  7.6009  590.350    245.913  709.689    328.193  437.572    371.336  31.439  9.1104  25.240  9.6842  6.198269       13.29599  
1 1 1 -28 5   20 o 25.669  7.8331  449.679    237.666  476.315    330.583  421.184    341.925  25.736  9.2759  24.611  9.3282  1.125553       13.15517  
1 1 1 -28 5   21 o 39.948  5.9974  992.247    251.482  1200.33    351.801  774.804    359.628  42.002  8.0257  31.852  9.6168  10.15066       12.52579  
1 1 1 -28 6   1  o 37.976  5.9121  831.302    235.262  550.398    313.949  1191.07    355.296  30.051  8.9657  44.835  7.5871  -14.78440      11.74508  
1 1 1 -28 6   2  o 89.038  3.4210  4355.01    329.908  4178.10    457.465  4546.73    476.221  86.440  4.9065  90.190  4.8934  -3.750656      6.929531  
1 1 1 -28 6   3  o 76.835  3.6011  3247.83    299.687  3140.12    422.400  3357.01    425.257  74.730  5.2520  77.357  5.1042  -2.626389      7.323699  
1 1 1 -28 6   4  o 62.394  4.1998  2162.87    282.165  2305.41    404.957  2028.36    393.378  63.642  5.9436  59.544  6.1901  4.098923       8.581601  
1 1 1 -28 6   5  o 69.861  3.8784  2699.76    292.314  2547.58    405.266  2864.80    422.033  67.084  5.6297  71.224  5.5138  -4.139526      7.880026  
1 1 1 -28 6   6  o 82.208  3.5995  3718.65    320.495  3940.83    469.864  3525.34    438.279  83.765  5.2047  79.249  5.1337  4.516022       7.310493  
1 1 1 -28 6   7  o 19.150  7.5859  135.807    233.830  167.929    327.857  102.552    333.588  21.951  8.8842  20.990  8.7745  0.9616489      12.48684  
1 1 1 -28 6   8  o 20.268  7.7284  185.240    235.583  317.293    327.978  44.491     338.606  24.734  9.1855  20.185  8.6548  4.548811       12.62057  
1 1 1 -28 6   9  o 19.999  7.6553  179.126    231.706  -36.6558   331.897  384.283    323.623  18.829  8.3111  26.024  9.1990  -7.195333      12.39747  
1 1 1 -28 6   10 o 46.248  5.4849  1224.26    269.395  1126.03    361.648  1346.73    403.790  43.054  8.0514  47.075  8.2184  -4.021584      11.50512  
1 1 1 -28 6   11 o 20.068  7.2197  211.350    200.175  199.836    224.930  255.192    438.914  20.228  7.5881  24.977  10.215  -4.748316      12.72505  
1 1 1 -28 6   12 o 19.326  7.1808  186.936    200.494  265.586    225.807  -106.0460  435.821  21.787  7.6859  20.233  9.1794  1.554081       11.97225  
1 1 1 -28 6   13 o 31.546  6.6317  604.534    219.394  619.885    249.777  552.702    458.984  31.562  7.4299  29.304  10.869  2.258287       13.16614  
1 1 1 -28 6   14 o 41.306  5.5590  1003.47    242.389  1000.45    286.737  1011.01    453.709  40.504  6.7754  37.732  10.641  2.771370       12.61524  
1 1 1 -28 6   15 o 18.086  7.0856  149.424    201.944  209.823    276.541  80.415     295.595  20.789  8.2451  18.876  8.0897  1.913397       11.55094  
1 1 1 -28 6   16 f 21.172  7.5006  265.184    215.266  482.407    307.171  55.539     301.765  26.895  8.9824  18.563  8.0653  8.332516       12.07201  
1 1 1 -28 6   17 o 19.467  7.4814  198.492    221.844  262.347    309.953  131.423    317.659  22.033  8.7320  19.907  8.4550  2.125975       12.15458  
1 1 1 -28 6   18 o 18.365  7.3518  154.488    221.850  90.045     308.358  223.637    319.421  18.958  8.1948  21.288  8.7112  -2.329908      11.95997  
1 1 1 -28 6   19 o 33.694  7.3433  742.409    260.418  807.043    360.730  672.060    376.339  33.162  9.5345  29.884  9.9410  3.278275       13.77429  
1 1 1 -28 6   20 o 13.859  6.4057  -105.8386  225.900  -260.1158  313.770  60.182     325.493  14.787  7.0518  18.537  8.2040  -3.750344      10.81825  
1 1 1 -28 6   21 o 20.394  7.7998  250.259    240.413  47.065     345.846  440.260    334.430  18.636  8.3390  24.805  9.2628  -6.168896      12.46345  
1 1 1 -28 7   1  o 21.937  7.6228  260.256    221.633  180.244    294.496  364.767    336.575  21.487  8.5127  25.907  9.3562  -4.420378      12.64930  
1 1 1 -28 7   2  o 17.258  7.1479  65.293     218.470  144.552    299.390  -24.9810   319.518  20.933  8.4836  18.754  8.2204  2.179049       11.81294  
1 1 1 -28 7   3  o 26.866  7.6564  431.066    233.607  428.614    317.935  433.944    344.388  27.149  9.1381  27.477  9.5047  -0.3281021     13.18500  
1 1 1 -28 7   4  o 32.662  6.8599  630.890    234.958  361.696    325.276  924.590    339.759  25.725  9.2086  39.092  8.2819  -13.36660      12.38506  
1 1 1 -28 7   5  o 31.926  7.0683  606.031    237.965  565.356    325.849  652.516    348.344  30.427  9.1468  32.493  9.3773  -2.066788      13.09949  
1 1 1 -28 7   6  f 30.966  7.1009  571.380    233.081  534.570    318.753  613.678    341.694  29.657  9.0754  31.564  9.3390  -1.906588      13.02232  
1 1 1 -28 7   7  f 17.307  7.1448  70.493     217.259  65.625     288.865  76.832     329.662  19.266  8.1160  20.489  8.6527  -1.222713      11.86333  
1 1 1 -28 7   8  o 29.269  7.6391  517.718    244.751  745.248    340.748  275.221    351.775  34.644  8.9999  24.268  9.3948  10.37590       13.00998  
1 1 1 -28 7   9  o 21.688  7.9814  238.844    246.596  141.635    332.724  357.316    367.314  21.493  8.8540  25.946  9.7039  -4.453547      13.13616  
1 1 1 -28 7   10 o 65.227  3.4720  2351.69    244.409  2290.91    291.340  2496.10    449.064  64.067  4.2221  65.667  6.3949  -1.599686      7.663002  
1 1 1 -28 7   11 o 72.966  3.5594  2942.43    281.302  2711.47    322.642  3674.45    574.395  69.603  4.3009  79.270  6.7545  -9.667328      8.007513  
1 1 1 -28 7   12 o 16.670  6.8282  80.836     196.495  40.041     220.630  237.290    432.072  16.578  7.0439  24.337  10.064  -7.758442      12.28398  
1 1 1 -28 7   13 o 55.744  4.1894  1752.05    251.092  1779.14    287.291  1664.42    516.725  55.838  4.7969  50.183  9.8585  5.655071       10.96360  
1 1 1 -28 7   14 o 72.182  3.7825  2922.80    294.692  2804.15    345.983  3236.38    562.453  70.137  4.5796  72.769  7.2321  -2.631721      8.560113  
1 1 1 -28 7   15 o 46.242  5.2751  1251.49    259.471  1381.88    313.303  966.778    462.961  47.984  6.1713  36.261  10.903  11.72350       12.52847  
1 1 1 -28 7   16 o 52.506  4.3999  1578.28    247.912  1612.85    352.545  1544.45    348.687  51.548  6.4560  50.357  6.5479  1.190449       9.195390  
1 1 1 -28 7   17 o 39.481  5.9978  944.328    248.406  1302.42    362.060  625.857    341.443  45.058  7.6951  29.823  9.4353  15.23499       12.17540  
1 1 1 -28 7   18 o 28.568  7.3895  533.217    230.370  107.410    320.030  991.138    331.879  19.434  8.3746  38.564  8.1981  -19.12995      11.71938  
1 1 1 -28 7   19 o 22.423  7.7842  324.608    231.095  664.837    319.089  -50.7003   335.135  30.466  9.0272  17.522  7.9879  12.94362       12.05395  
1 1 1 -28 7   20 f 32.887  7.0239  705.031    242.592  524.401    336.851  899.660    349.660  26.718  9.3911  35.258  9.0961  -8.539881      13.07410  
1 1 1 -28 7   21 o 30.107  7.6095  615.832    248.258  556.027    352.892  674.431    349.316  27.103  9.6033  29.733  9.5581  -2.629675      13.54918  
1 1 1 -28 8   1  o 52.292  4.6782  1532.16    262.164  1596.46    363.333  1462.33    378.654  52.589  6.5185  49.967  7.2048  2.621948       9.716014  
1 1 1 -28 8   2  o 88.434  3.4104  4295.99    326.662  3857.65    448.315  4792.11    476.953  82.987  5.0113  92.665  4.7683  -9.678543      6.917324  
1 1 1 -28 8   3  o 27.804  7.5595  463.163    233.640  318.161    314.895  640.751    348.487  24.660  9.0277  32.216  9.4029  -7.556667      13.03513  
1 1 1 -28 8   4  f 21.098  7.7303  221.520    230.957  -84.1103   306.999  620.051    350.566  17.596  7.8664  31.724  9.4762  -14.12780      12.31576  
1 1 1 -28 8   5  o 27.178  7.8778  442.034    245.361  473.200    328.153  402.520    369.499  28.238  9.2775  27.057  9.7983  1.181126       13.49366  
1 1 1 -28 8   6  o 32.118  6.7031  609.007    225.643  569.862    317.624  648.893    320.612  30.521  8.9966  32.484  8.8651  -1.963758      12.63051  
1 1 1 -28 8   7  o 74.507  3.7135  3059.37    299.677  3177.58    410.728  2924.80    438.221  75.218  5.0711  71.826  5.6794  3.392143       7.613906  
1 1 1 -28 8   8  o 80.817  3.7503  3603.55    328.280  3578.40    461.261  3629.37    467.315  79.601  5.3816  80.148  5.4150  -0.5468903     7.634436  
1 1 1 -28 8   9  o 31.616  7.3651  603.102    247.518  714.870    326.888  452.907    378.939  33.895  8.8196  27.923  9.9452  5.971931       13.29256  
1 1 1 -28 8   10 o 39.467  5.3386  893.192    222.355  761.463    252.030  1355.85    472.326  35.813  6.7449  46.232  9.7400  -10.41865      11.84742  
1 1 1 -28 8   11 f 47.171  5.0524  1267.60    254.120  1162.03    296.672  1558.48    492.448  44.533  6.3287  49.562  9.5196  -5.029163      11.43135  
1 1 1 -28 8   12 f 37.835  5.8186  838.629    230.807  922.120    265.493  580.258    467.043  39.389  6.4461  30.145  11.001  9.243666       12.75025  
1 1 1 -28 8   13 o 41.275  5.2451  987.794    229.188  913.259    259.961  1247.89    485.619  39.081  6.3603  42.607  10.573  -3.525913      12.33884  
1 1 1 -28 8   14 o 35.696  6.3922  772.597    238.061  751.137    281.326  826.718    446.766  34.367  7.7434  33.937  10.799  0.4307899      13.28824  
1 1 1 -28 8   15 o 4.0596  1.9725  -47.3246   27.400   -29.7554   298.115  -47.4743   27.517   17.344  7.7527  4.0694  1.9771  13.27438       8.000849  
1 1 1 -28 8   16 o 17.532  7.1270  117.171    212.038  233.750    300.281  1.2350     299.453  21.519  8.5736  17.731  7.8571  3.788176       11.62932  
1 1 1 -28 8   17 o 37.498  5.9746  852.930    234.507  938.521    329.891  765.497    333.422  37.580  8.3241  33.269  9.0244  4.311569       12.27723  
1 1 1 -28 8   18 o 45.111  5.3326  1209.60    255.507  1020.82    367.387  1386.45    355.584  38.387  8.9937  46.675  7.2706  -8.287846      11.56491  
1 1 1 -28 8   19 o 18.365  7.5013  147.992    236.302  238.650    344.470  67.409     324.764  21.615  8.9659  18.770  8.2560  2.845243       12.18804  
1 1 1 -28 8   20 o 19.848  7.6192  227.476    229.933  435.039    314.431  -11.0955   337.100  24.867  9.0336  17.866  8.0924  7.001707       12.12817  
1 1 1 -28 8   21 o 25.597  1.7379  360.399    47.896   243.577    313.266  363.195    48.465   21.013  8.6161  25.693  1.7520  -4.680285      8.792424  
1 1 1 -28 9   1  o 47.306  5.0585  1263.19    255.167  1186.39    350.483  1349.82    372.217  44.786  7.4897  47.866  7.4197  -3.079876      10.54264  
1 1 1 -28 9   2  o 17.391  7.2422  60.344     226.023  -85.2801   312.043  221.078    327.832  17.728  7.9275  22.934  9.0147  -5.206564      12.00457  
1 1 1 -28 9   3  o 22.251  7.9444  260.304    241.944  574.552    341.147  -57.7029   343.182  30.651  9.3904  18.971  8.4087  11.67964       12.60499  
1 1 1 -28 9   4  o 28.210  7.5660  477.314    235.939  432.479    311.644  537.521    361.138  27.189  9.0464  29.846  9.7291  -2.657225      13.28505  
1 1 1 -28 9   5  o 54.740  4.9397  1683.88    289.717  1802.96    402.779  1556.22    417.037  55.784  6.8075  51.293  7.7481  4.491066       10.31381  
1 1 1 -28 9   6  o 20.295  7.7712  181.715    238.826  348.576    325.728  -12.2736   351.210  25.421  9.2006  19.762  8.6415  5.659048       12.62246  
1 1 1 -28 9   7  o 34.251  6.8012  693.125    243.411  428.707    333.451  994.750    356.140  27.199  9.3557  40.449  8.4036  -13.25015      12.57577  
1 1 1 -28 9   8  o 16.339  7.1161  -13.1838   236.064  443.590    314.717  -600.7665  356.947  27.347  9.0905  14.301  6.9864  13.04541       11.46504  
1 1 1 -28 9   9  o 32.857  5.9294  629.856    203.245  669.692    239.480  527.278    384.289  33.554  6.8220  29.457  10.046  4.096453       12.14327  
1 1 1 -28 9   10 o 24.248  7.0456  351.186    196.048  367.822    218.148  281.333    447.001  24.792  7.4911  25.609  10.371  -0.8176842     12.79311  
1 1 1 -28 9   11 o 17.864  6.9792  130.768    195.509  110.067    218.480  213.973    438.017  17.997  7.2634  24.309  10.099  -6.312325      12.43987  
1 1 1 -28 9   12 o 14.244  6.3310  -43.3339   195.854  -37.0997   219.869  -67.2873   430.979  15.205  6.7353  20.483  9.2255  -5.278487      11.42251  
1 1 1 -28 9   13 o 60.760  3.9522  2072.65    258.678  2033.23    294.985  2203.88    538.194  59.813  4.5884  58.958  8.6885  0.8548012      9.825590  
1 1 1 -28 9   14 o 28.330  7.4343  508.941    230.985  353.449    272.801  902.747    434.145  24.004  8.4501  35.613  10.524  -11.60985      13.49658  
1 1 1 -28 9   15 o 62.111  4.2522  2193.20    284.334  2370.67    340.838  1787.01    515.632  64.055  4.9512  51.394  9.6166  12.66078       10.81638  
1 1 1 -28 9   16 o 47.610  4.6798  1308.81    238.204  1017.57    331.272  1620.60    342.764  39.677  7.9850  51.849  6.2281  -12.17213      10.12671  
1 1 1 -28 9   17 o 28.886  7.2242  537.020    225.436  531.422    314.271  542.954    323.561  27.779  9.0769  27.996  9.2131  -0.2174587     12.93332  
1 1 1 -28 9   18 o 21.489  7.8217  281.020    235.895  157.388    341.275  394.132    326.433  20.524  8.7415  24.520  9.1523  -3.995556      12.65620  
1 1 1 -28 9   19 o 12.415  2.7707  88.813     36.311   183.478    314.023  87.530     36.557   20.307  8.5032  12.318  2.8031  7.988554       8.953285  
1 1 1 -28 9   20 o 29.867  7.3408  594.310    235.781  586.641    318.999  603.545    350.050  28.265  9.1389  28.313  9.5882  -0.4782104E-01 13.24590  
1 1 1 -28 9   21 o 19.273  7.9016  182.486    263.420  172.471    316.994  204.835    473.537  19.890  8.4470  22.194  9.8555  -2.303839      12.98010  
1 1 1 -28 10  1  o 45.559  4.7546  1167.11    231.162  963.805    296.392  1482.80    369.340  40.484  7.0136  50.447  6.9436  -9.963856      9.869354  
1 1 1 -28 10  2  o 55.699  4.2746  1727.42    255.908  1751.24    331.625  1692.35    402.365  55.555  5.5870  53.891  7.0635  1.664787       9.006005  
1 1 1 -28 10  3  o 24.144  7.7756  336.583    231.094  129.707    309.631  596.740    347.222  20.906  8.5685  31.171  9.4581  -10.26498      12.76219  
1 1 1 -28 10  4  o 17.757  7.5816  27.004     257.866  -17.2642   334.663  91.692     404.553  19.273  8.4314  22.451  9.5387  -3.177538      12.73085  
1 1 1 -28 10  5  o 34.837  7.2825  722.576    265.938  415.881    367.177  1060.98    385.693  27.290  9.7822  41.658  8.8228  -14.36769      13.17320  
1 1 1 -28 10  6  o 25.960  8.0683  398.667    250.824  115.459    339.202  740.353    372.580  21.331  8.8767  34.422  9.6204  -13.09109      13.08998  
1 1 1 -28 10  7  o 19.982  7.9411  149.253    257.003  238.330    348.124  42.550     381.014  23.560  9.2803  21.191  9.1347  2.369247       13.02184  
1 1 1 -28 10  8  o 23.867  8.2187  320.250    257.358  158.597    362.071  485.318    365.876  22.422  9.2364  28.565  9.8015  -6.143150      13.46779  
1 1 1 -28 10  9  o 48.143  4.6435  1304.83    239.128  1415.01    273.520  947.503    492.581  49.948  5.1287  37.865  11.215  12.08293       12.33217  
1 1 1 -28 10  10 o 57.816  4.0296  1863.43    250.760  1884.89    285.442  1790.87    524.880  57.907  4.5886  53.508  9.3997  4.399200       10.45988  
1 1 1 -28 10  11 o 54.672  4.3090  1678.28    253.093  1624.81    290.666  1845.92    514.674  53.421  5.0849  54.320  9.0674  -0.8992538     10.39591  
1 1 1 -28 10  12 o 79.657  3.5375  3517.25    305.207  3434.98    352.254  3765.00    611.292  78.270  4.1702  79.375  7.1884  -1.105553      8.310439  
1 1 1 -28 10  13 o 20.532  7.4393  231.313    213.037  90.906     241.884  716.901    449.829  17.992  7.4923  32.154  10.869  -14.16195      13.20137  
1 1 1 -28 10  14 f 22.729  7.9108  311.338    238.746  304.360    284.452  327.969    439.161  22.965  8.5492  25.029  10.225  -2.064411      13.32824  
1 1 1 -28 10  15 o 18.071  7.4139  117.535    232.107  138.154    277.624  69.657     423.049  19.452  8.0573  21.235  9.3779  -1.783232      12.36390  
1 1 1 -28 10  16 o 21.976  7.8910  288.914    239.024  -3.9452    287.855  939.247    428.955  17.358  7.6970  35.942  10.416  -18.58400      12.95099  
1 1 1 -28 10  17 o 18.545  7.3802  158.610    222.266  349.281    328.815  -1.8114    301.607  23.837  9.1206  17.608  7.8397  6.228292       12.02690  
1 1 1 -28 10  18 o 51.287  2.0736  1443.40    115.186  924.143    342.162  1509.77    122.325  36.653  8.7416  52.425  2.1543  -15.77241      9.003170  
1 1 1 -28 10  19 o 18.067  7.6458  109.335    258.252  -71.8103   427.431  213.481    324.098  19.109  8.8249  20.934  8.6911  -1.824263      12.38604  
1 1 1 -28 10  20 o 21.390  7.8376  290.104    237.422  340.858    309.559  217.597    369.999  22.888  8.8264  21.355  9.0988  1.533138       12.67646  
1 1 1 -28 10  21 o 27.400  8.4201  534.655    274.055  566.776    329.727  462.885    492.871  27.534  9.3058  25.387  10.643  2.146727       14.13760  
1 1 1 -28 11  1  f 32.629  6.6509  627.509    227.074  886.500    294.182  245.749    357.166  38.667  7.2917  23.903  9.4049  14.76467       11.90048  
1 1 1 -28 11  2  o 39.681  5.2044  894.678    218.283  951.926    275.621  798.357    357.512  40.445  6.5129  35.908  9.1624  4.537804       11.24131  
1 1 1 -28 11  3  o 35.668  6.4885  743.836    241.431  885.112    322.703  564.227    363.860  38.329  8.0305  30.443  9.7518  7.885897       12.63272  
1 1 1 -28 11  4  o 19.519  7.6548  149.773    235.880  81.280     305.472  250.929    371.230  19.979  8.3775  24.254  9.5739  -4.274771      12.72173  
1 1 1 -28 11  5  o 23.082  8.2359  283.599    259.985  376.936    366.038  188.575    369.332  26.492  9.7280  23.158  9.4093  3.334242       13.53400  
1 1 1 -28 11  6  o 15.991  7.0649  -45.8949   240.336  -158.4438  322.972  93.761     359.770  17.141  7.8249  21.457  9.0493  -4.316082      11.96322  
1 1 1 -28 11  7  o 22.096  7.9368  256.432    241.828  199.876    310.552  343.557    385.450  22.134  8.7504  26.027  9.8948  -3.893387      13.20898  
1 1 1 -28 11  8  o 20.776  1.9333  236.963    43.006   294.213    237.447  235.022    43.729   22.961  7.8950  20.684  1.9760  2.276958       8.138569  
1 1 1 -28 11  9  o 18.343  7.2568  127.066    213.725  150.666    244.585  50.846     439.547  19.627  7.7636  22.425  9.7386  -2.797466      12.45446  
1 1 1 -28 11  10 o 19.509  7.1322  192.141    196.447  254.810    218.995  -66.0478   444.506  21.568  7.5726  21.087  9.4433  0.4809380      12.10454  
1 1 1 -28 11  11 o 19.843  7.1831  205.834    198.553  236.002    221.783  84.035     445.638  21.024  7.5946  22.675  9.8264  -1.650473      12.41920  
1 1 1 -28 11  12 o 24.516  7.2272  367.218    204.967  383.281    229.661  304.341    454.376  24.992  7.7127  25.501  10.407  -0.5087929     12.95367  
1 1 1 -28 11  13 o 32.265  6.3658  629.423    214.561  665.378    241.487  494.627    467.580  32.864  6.9987  28.169  10.852  4.695431       12.91304  
1 1 1 -28 11  14 o 29.622  7.3151  554.462    233.301  639.780    272.576  320.736    451.150  31.478  7.9830  25.029  10.310  6.448957       13.03964  
1 1 1 -28 11  15 f 33.534  7.3046  710.200    257.800  574.015    314.183  990.849    451.024  29.192  9.0230  36.942  10.673  -7.750683      13.97583  
1 1 1 -28 11  16 o 33.085  7.1172  691.381    247.471  736.551    297.357  589.603    446.357  33.378  8.2680  28.869  10.717  4.509539       13.53543  
1 1 1 -28 11  17 o 22.183  7.5587  307.097    217.559  423.412    305.433  187.304    309.966  25.289  8.9371  20.649  8.5302  4.639790       12.35459  
1 1 1 -28 11  18 o 47.717  4.9175  1336.46    250.508  1117.17    346.058  1577.88    363.099  41.058  8.0696  50.164  6.8629  -9.106144      10.59327  
1 1 1 -28 11  19 o 21.320  7.6422  284.392    224.099  297.995    304.169  268.242    331.430  22.218  8.6982  21.931  8.9123  0.2868195      12.45349  
1 1 1 -28 11  20 o 50.650  2.4516  1419.49    134.493  1571.44    350.668  1393.28    145.630  49.787  6.6707  50.002  2.6990  -0.2146072     7.196011  
1 1 1 -28 11  21 o 19.173  7.9245  173.658    267.719  108.627    322.770  317.039    479.272  19.038  8.3055  23.514  10.190  -4.476667      13.14631  
1 1 1 -28 12  1  o 36.517  6.1877  774.647    235.996  781.991    299.283  762.573    383.743  36.012  7.8910  34.881  9.7687  1.130516       12.55768  
1 1 1 -28 12  2  o 15.633  6.6306  23.558     194.930  -31.3434   241.408  126.424    330.442  16.266  7.1372  21.319  8.8072  -5.052742      11.33610  
1 1 1 -28 12  3  o 26.069  7.9628  402.885    245.518  474.463    309.898  282.223    402.361  28.172  8.9970  25.296  9.9730  2.876156       13.43158  
1 1 1 -28 12  4  o 39.213  6.2162  890.789    255.210  1028.66    341.683  716.816    383.823  41.447  7.8998  33.861  9.8639  7.585278       12.63734  
1 1 1 -28 12  5  o 35.081  7.0219  728.875    257.500  837.632    346.433  594.612    384.919  36.918  8.7901  31.131  10.036  5.787573       13.34126  
1 1 1 -28 12  6  o 29.101  8.2880  514.030    273.830  292.378    383.989  743.387    390.605  25.131  9.7913  34.377  9.9324  -9.245916      13.94715  
1 1 1 -28 12  7  o 37.796  6.5910  837.674    260.001  876.782    347.612  788.011    391.720  37.746  8.6833  35.307  9.8633  2.439423       13.14092  
1 1 1 -28 12  8  o 67.279  3.7145  2505.40    269.627  2654.83    308.409  2020.77    555.396  69.083  4.1409  57.289  9.2672  11.79377       10.15024  
1 1 1 -28 12  9  o 97.131  3.4646  5199.00    364.484  5114.90    424.942  5433.12    708.968  96.018  4.0861  96.740  6.8097  -0.7219238     7.941562  
1 1 1 -28 12  10 o 34.146  6.7222  695.227    239.760  632.720    278.627  873.568    470.635  32.005  8.0464  36.236  11.015  -4.231422      13.64092  
1 1 1 -28 12  11 o 22.046  7.7082  273.191    226.794  395.315    263.008  -80.9456   447.873  25.536  8.3017  20.823  9.3891  4.712742       12.53290  
1 1 1 -28 12  12 o 24.020  7.2180  351.614    202.943  304.224    226.535  544.252    456.732  22.745  7.7133  29.308  10.848  -6.562897      13.31091  
1 1 1 -28 12  13 o 25.057  7.4256  391.285    215.898  443.638    244.622  206.806    459.195  26.482  7.9171  23.870  10.152  2.611979       12.87449  
1 1 1 -28 12  14 o 45.186  5.2388  1191.25    251.637  1271.49    290.931  952.933    501.386  46.241  5.9468  35.722  11.448  10.51825       12.90017  
1 1 1 -28 12  15 o 36.448  6.5209  813.265    247.972  786.537    295.548  876.821    455.756  34.853  7.9986  34.507  10.899  0.3468437      13.51931  
1 1 1 -28 12  16 o 37.065  6.7102  850.731    259.460  695.733    315.469  1174.77    456.132  32.018  8.8169  40.373  10.375  -8.354961      13.61535  
1 1 1 -28 12  17 o 35.262  6.4809  770.414    238.403  842.625    349.454  707.544    326.066  34.813  9.1483  31.927  9.0271  2.886164       12.85217  
1 1 1 -28 12  18 o 17.603  7.1670  128.051    214.834  136.306    292.933  118.443    316.022  19.317  8.1572  19.458  8.3525  -0.1400375     11.67493  
1 1 1 -28 12  19 o 46.334  5.0200  1271.83    247.897  1075.18    338.546  1499.17    363.996  39.977  8.0962  48.342  7.1692  -8.364384      10.81415  
1 1 1 -28 12  20 o 30.772  7.1748  625.827    234.724  798.572    318.827  421.396    346.838  33.448  8.7135  24.533  9.3720  8.914677       12.79684  
1 1 1 -28 12  21 o 24.590  9.1902  429.633    329.345  429.633    329.345  0.0000     0.0000   24.590  9.1902  ?       ?       0.000000       9.190195  
1 1 1 -28 13  1  o 33.682  6.6909  668.631    235.487  763.995    300.056  515.699    379.981  35.539  7.9895  29.414  9.9896  6.124943       12.79158  
1 1 1 -28 13  2  o 64.421  4.0335  2301.78    280.018  2254.03    380.675  2358.08    413.351  63.050  5.6337  64.306  6.0041  -1.256126      8.233338  
1 1 1 -28 13  3  o 70.208  3.8175  2725.58    289.202  2437.81    382.198  3111.07    442.351  65.698  5.4195  74.197  5.5444  -8.498993      7.753151  
1 1 1 -28 13  4  o 47.182  5.2790  1261.39    265.150  1103.52    354.260  1462.47    399.815  42.950  7.9067  49.713  7.6722  -6.763371      11.01720  
1 1 1 -28 13  5  o 21.322  7.9667  218.872    247.458  348.097    329.301  51.236     375.064  25.442  9.2444  21.201  9.1001  4.240913       12.97189  
1 1 1 -28 13  6  o 25.086  8.4450  361.225    271.536  461.493    379.147  255.641    389.066  28.246  9.9599  24.568  9.7684  3.677322       13.95071  
1 1 1 -28 13  7  o 35.046  7.1375  732.033    261.728  659.386    341.398  835.598    407.623  32.532  9.2504  36.246  10.039  -3.713531      13.65092  
1 1 1 -28 13  8  o 17.245  6.9668  92.931     201.218  177.577    226.688  -221.5352  436.930  19.846  7.5778  19.470  8.9669  0.3752594      11.74002  
1 1 1 -28 13  9  o 73.728  3.6702  3002.48    293.087  2786.76    337.919  3657.50    588.839  70.584  4.4428  79.171  6.9368  -8.587738      8.237619  
1 1 1 -28 13  10 o 45.440  5.2350  1180.10    252.935  1083.45    293.603  1458.32    498.117  42.912  6.5223  47.646  9.9724  -4.733936      11.91596  
1 1 1 -28 13  11 o 25.150  7.9594  384.424    242.959  315.374    286.818  559.842    457.154  23.752  8.6279  29.874  10.886  -6.121891      13.89080  
1 1 1 -28 13  12 o 32.571  6.8662  646.365    234.593  634.454    270.687  682.306    470.222  31.760  7.9012  31.750  11.099  0.1039505E-01  13.62429  
1 1 1 -28 13  13 o 39.910  5.9688  945.668    250.087  900.102    291.440  1072.93    487.050  38.110  7.3268  38.712  11.063  -0.6023293     13.26933  
1 1 1 -28 13  14 o 30.428  7.1081  581.117    230.030  525.837    263.197  759.921    473.353  28.439  8.1345  32.290  11.145  -3.850657      13.79755  
1 1 1 -28 13  15 f 18.669  7.5766  140.097    239.164  198.351    287.799  10.086     429.951  20.729  8.3468  20.661  9.2677  0.6772423E-01  12.47236  
1 1 1 -28 13  16 o 22.179  1.5738  269.499    37.560   226.540    277.722  270.300    37.908   21.008  8.2845  22.210  1.5863  -1.202534      8.435019  
1 1 1 -28 13  17 o 17.629  7.4295  91.586     242.233  110.771    295.217  52.054     423.774  19.107  8.1339  20.697  9.2481  -1.589903      12.31611  
1 1 1 -28 13  18 o 16.700  7.0141  84.144     214.722  199.327    292.130  -51.2120   316.680  20.382  8.3346  17.186  7.8077  3.195868       11.42042  
1 1 1 -28 13  19 f 13.258  6.1709  -129.3593  215.290  -216.3850  290.388  -23.1416   320.814  14.618  6.9173  17.488  7.9102  -2.869733      10.50807  
1 1 1 -28 13  20 o 17.245  7.4623  72.357     256.218  -5.7096    305.505  257.465    470.434  17.221  7.7607  22.839  9.9936  -5.617895      12.65306  
1 1 1 -28 13  21 o 17.740  7.9527  21.258     316.093  21.258     316.093  0.0000     0.0000   17.740  7.9527  ?       ?       0.000000       7.952696  
1 1 1 -28 14  1  o 17.411  7.3241  48.411     234.712  52.677     319.177  43.386     346.352  19.847  8.4535  20.393  8.7489  -0.5457115     12.16570  
1 1 1 -28 14  2  o 18.802  7.6676  102.953    246.411  306.534    344.824  -109.4882  352.249  24.816  9.3769  18.558  8.3512  6.258038       12.55661  
1 1 1 -28 14  3  o 69.323  3.9726  2662.46    297.036  2967.10    401.500  2294.12    441.486  72.658  5.1349  63.116  6.5536  9.541920       8.325733  
1 1 1 -28 14  4  o 73.945  3.8947  3025.77    310.824  3200.31    418.420  2810.87    464.292  75.460  5.1502  70.141  6.1744  5.318596       8.040432  
1 1 1 -28 14  5  o 34.139  7.2229  694.905    258.737  758.750    342.350  609.863    395.115  35.015  8.9830  31.439  10.172  3.576813       13.57035  
1 1 1 -28 14  6  o 44.121  5.9733  1120.47    278.110  1051.88    372.238  1207.13    418.413  41.510  8.5636  44.281  9.0300  -2.771431      12.44496  
1 1 1 -28 14  7  o 30.159  7.0624  544.807    226.637  493.857    261.378  699.167    454.951  28.506  8.0900  33.210  10.924  -4.704044      13.59386  
1 1 1 -28 14  8  o 26.145  7.7335  411.289    234.340  410.272    272.878  414.147    457.374  26.228  8.4496  27.946  10.742  -1.717972      13.66671  
1 1 1 -28 14  9  o 22.719  7.4353  298.331    210.846  370.747    238.960  43.746     448.044  24.955  7.8932  22.456  9.7915  2.498562       12.57678  
1 1 1 -28 14  10 o 65.739  4.1212  2413.37    291.954  2494.18    342.404  2198.13    558.797  66.488  4.7868  59.568  8.9368  6.920223       10.13803  
1 1 1 -28 14  11 o 70.102  3.8171  2738.59    288.734  2793.80    333.574  2573.66    576.571  70.489  4.3910  64.578  8.4456  5.910355       9.518847  
1 1 1 -28 14  12 o 18.499  7.3830  135.873    223.025  369.921    256.788  -582.7618  449.962  24.630  8.2125  16.584  8.0432  8.045807       11.49515  
1 1 1 -28 14  13 o 29.386  7.8307  550.922    253.740  665.239    302.290  278.275    466.841  31.910  8.5665  24.818  10.378  7.091623       13.45681  
1 1 1 -28 14  14 o 66.237  4.2921  2492.12    306.267  2436.17    362.532  2631.62    572.373  64.781  5.2110  64.056  8.4567  0.7255554      9.933294  
1 1 1 -28 14  15 o 69.026  4.1822  2704.39    311.194  2794.96    373.967  2500.45    561.151  69.500  5.0014  62.094  8.5724  7.406303       9.924687  
1 1 1 -28 14  16 f 38.897  6.9785  945.021    283.195  941.007    356.257  951.910    466.768  37.250  8.9431  35.511  11.001  1.739254       14.17787  
1 1 1 -28 14  17 o 47.121  5.3739  1315.61    269.364  1124.22    322.172  1760.18    491.006  42.031  7.3443  50.704  9.2829  -8.672894      11.83686  
1 1 1 -28 14  18 o 46.788  4.8212  1282.84    240.820  1249.38    333.132  1319.47    348.532  44.238  7.2003  45.343  7.3483  -1.105045      10.28793  
1 1 1 -28 14  19 o 50.111  2.1772  1381.82    118.167  1067.49    335.312  1426.39    126.268  39.843  8.0473  50.869  2.2918  -11.02634      8.367250  
1 1 1 -28 14  20 o 34.952  7.5207  815.683    276.269  1097.70    330.878  166.480    502.021  40.378  7.8484  22.171  9.9739  18.20741       12.69162  
1 1 1 -28 14  21 o 20.241  8.8573  144.474    369.577  144.474    369.577  0.0000     0.0000   20.241  8.8573  ?       ?       0.000000       8.857344  
1 1 1 -28 15  1  o 63.032  4.0325  2205.23    273.859  2018.69    363.757  2449.29    416.088  59.573  5.7074  65.548  5.9248  -5.974720      8.226666  
1 1 1 -28 15  2  o 16.701  7.0765  32.478     221.678  62.724     284.583  -14.1954   353.511  19.098  8.0509  19.778  8.6585  -0.6800404     11.82317  
1 1 1 -28 15  3  o 57.940  4.6243  1878.35    287.779  1985.49    370.500  1715.40    456.914  59.014  5.8746  53.624  8.1211  5.389286       10.02308  
1 1 1 -28 15  4  o 63.245  4.4705  2231.75    304.260  2307.74    411.676  2140.29    451.680  63.557  6.0534  60.664  7.0029  2.892570       9.256635  
1 1 1 -28 15  5  f 85.286  3.7545  4011.34    346.816  3852.84    464.250  4211.50    521.704  82.754  5.2061  86.275  5.6136  -3.520248      7.656099  
1 1 1 -28 15  6  o 42.022  4.7451  996.235    212.189  1005.47    246.953  970.172    414.759  41.907  5.5793  39.184  9.7984  2.723248       11.27552  
1 1 1 -28 15  7  o 34.202  6.3733  687.049    227.407  788.814    260.680  363.001    465.172  36.508  6.8439  27.293  10.735  9.215469       12.73101  
1 1 1 -28 15  8  o 47.976  4.8828  1301.19    250.192  1309.36    288.686  1276.52    501.480  47.778  5.6906  44.361  10.585  3.416981       12.01751  
1 1 1 -28 15  9  f 25.464  7.6215  390.486    226.601  391.110    261.312  388.595    455.005  25.590  8.2712  27.354  10.658  -1.764523      13.49101  
1 1 1 -28 15  10 o 73.845  3.8638  3033.48    307.960  3121.02    359.981  2794.56    594.719  74.570  4.4778  67.778  8.2729  6.791458       9.407007  
1 1 1 -28 15  11 o 64.618  4.1133  2339.95    286.386  2154.09    333.321  2864.04    559.723  61.467  5.0514  68.846  7.6349  -7.378944      9.154675  
1 1 1 -28 15  12 o 24.987  8.0367  385.792    246.940  294.778    292.134  613.599    462.178  23.127  8.6531  30.363  10.964  -7.235390      13.96736  
1 1 1 -28 15  13 o 4.8833  2.2945  -32.4512   30.949   155.719    298.754  -34.4925   31.117   20.338  8.3854  4.8392  2.2821  15.49879       8.690425  
1 1 1 -28 15  14 o 27.250  7.8443  478.539    244.034  484.103    284.918  463.217    472.806  27.166  8.6216  27.208  10.784  -0.4202080E-01 13.80685  
1 1 1 -28 15  15 o 36.702  6.1604  815.763    236.212  906.480    318.514  704.893    352.118  37.374  8.1021  31.907  9.4895  5.466991       12.47772  
1 1 1 -28 15  16 o 19.312  7.7419  169.505    246.399  255.366    299.012  -12.1526   434.930  21.841  8.6017  20.346  9.2061  1.495049       12.59925  
1 1 1 -28 15  17 o 23.394  7.9953  350.731    243.423  461.405    293.420  106.403    435.967  26.135  8.7788  21.471  9.4990  4.664598       12.93440  
1 1 1 -28 15  18 o 23.077  1.4001  291.245    34.829   183.742    316.046  292.567    35.043   20.461  8.5459  23.129  1.4055  -2.667833      8.660746  
1 1 1 -28 15  19 o 29.780  7.6691  596.167    248.864  529.522    356.488  659.520    347.573  26.897  9.6390  29.804  9.5293  -2.907034      13.55430  
1 1 1 -28 15  20 o 17.133  7.4581  61.577     258.996  216.736    310.642  -292.1924  469.065  20.581  8.5238  17.852  8.5434  2.729393       12.06834  
1 1 1 -28 15  21 f 18.398  8.2739  28.762     345.153  28.762     345.153  0.0000     0.0000   18.398  8.2739  ?       ?       0.000000       8.273942  
1 1 1 -28 16  1  o 55.010  4.5224  1693.11    267.065  1591.93    357.364  1821.10    401.925  52.492  6.4195  56.001  6.7633  -3.509926      9.324815  
1 1 1 -28 16  2  o 17.079  7.3531  10.008     246.262  123.413    318.744  -157.9263  387.879  20.960  8.6536  18.953  8.6221  2.006775       12.21581  
1 1 1 -28 16  3  o 59.016  4.5949  1948.25    291.392  2037.68    376.327  1814.36    460.471  59.766  5.8901  55.266  7.9190  4.500008       9.869362  
1 1 1 -28 16  4  o 44.119  5.8154  1116.56    271.119  1241.89    346.684  919.219    435.017  45.922  7.2075  37.959  10.313  7.962971       12.58172  
1 1 1 -28 16  5  o 35.460  7.2965  750.875    270.890  690.847    369.369  820.736    398.477  33.205  9.6775  36.016  9.9057  -2.810963      13.84833  
1 1 1 -28 16  6  o 64.615  3.7999  2312.69    264.763  2520.97    302.894  1638.14    545.084  67.318  4.1748  50.877  10.246  16.44158       11.06402  
1 1 1 -28 16  7  o 52.974  4.3182  1568.92    245.605  1699.92    280.252  1135.20    509.935  54.976  4.7533  41.542  11.115  13.43471       12.08893  
1 1 1 -28 16  8  o 17.090  7.1270  60.682     219.328  44.355     252.330  111.141    443.585  17.771  7.5411  23.250  9.9358  -5.478910      12.47353  
1 1 1 -28 16  9  o 27.403  7.4887  457.025    228.600  308.065    263.007  917.232    462.283  23.479  8.2936  37.215  10.821  -13.73519      13.63352  
1 1 1 -28 16  10 o 28.649  7.6432  505.505    241.559  503.966    281.129  509.846    472.198  28.434  8.4843  29.225  10.988  -0.7913933     13.88249  
1 1 1 -28 16  11 o 11.984  5.7709  -300.1003  221.734  -228.3555  256.675  -511.1180  440.198  13.979  6.5806  16.895  8.1347  -2.915914      10.46314  
1 1 1 -28 16  12 o 27.364  7.7720  471.515    241.137  537.016    280.810  287.584    470.558  28.924  8.4403  25.216  10.471  3.707510       13.44922  
1 1 1 -28 16  13 o 43.416  5.5535  1107.65    255.165  936.836    296.521  1595.10    500.911  38.797  7.3250  48.584  9.8562  -9.786961      12.28008  
1 1 1 -28 16  14 o 29.408  7.8741  559.292    255.804  472.340    303.393  773.102    475.749  26.821  8.9259  32.434  11.174  -5.612717      14.30141  
1 1 1 -28 16  15 o 62.543  4.3385  2230.23    292.072  2538.40    345.933  1465.19    545.045  66.335  4.8484  44.443  11.298  21.89138       12.29461  
1 1 1 -28 16  16 o 48.790  5.7558  1420.60    298.305  1678.52    374.053  969.952    494.432  52.192  6.7769  35.374  11.371  16.81775       13.23765  
1 1 1 -28 16  17 o 18.523  7.6906  127.864    253.798  66.738     314.260  242.501    430.366  18.793  8.1972  23.049  9.8166  -4.255362      12.78903  
1 1 1 -28 16  18 o 17.711  7.1762  134.899    214.172  340.147    292.158  -103.5242  314.886  23.129  8.6535  16.520  7.6098  6.608122       11.52353  
1 1 1 -28 16  19 o 14.444  6.6127  -80.8008   232.859  -251.2917  311.305  135.760    350.854  14.848  7.0653  20.086  8.7118  -5.237912      11.21671  
1 1 1 -28 16  20 o 17.382  8.0462  -92.4075   358.427  -92.4075   358.427  0.0000     0.0000   17.382  8.0462  ?       ?       0.000000       8.046156  
1 1 1 -28 16  21 o 20.110  9.0020  93.055     403.470  93.055     403.470  0.0000     0.0000   20.110  9.0020  ?       ?       0.000000       9.002026  
1 1 1 -28 17  1  o 33.884  7.3174  687.756    260.690  836.277    343.800  486.851    399.860  36.811  8.7514  28.864  10.223  7.947308       13.45712  
1 1 1 -28 17  2  o 36.931  7.1298  809.793    274.866  711.067    369.472  932.156    411.328  33.676  9.6398  38.407  9.8429  -4.730816      13.77705  
1 1 1 -28 17  3  o 37.148  6.7908  812.843    263.161  790.504    334.183  849.309    426.973  35.821  8.6999  36.484  10.335  -0.6622772     13.50922  
1 1 1 -28 17  4  o 72.592  3.8959  2918.72    305.190  2944.71    385.191  2874.88    500.211  72.430  4.9395  70.591  6.6196  1.839081       8.259438  
1 1 1 -28 17  5  o 50.817  4.2950  1442.47    234.187  1452.69    280.190  1418.79    426.562  50.654  5.1799  48.407  8.4428  2.246517       9.905167  
1 1 1 -28 17  6  o 69.883  3.7229  2702.32    280.769  2798.51    322.846  2403.76    568.777  70.904  4.2230  63.138  8.5361  7.766518       9.523648  
1 1 1 -28 17  7  f 71.588  3.5014  2823.94    271.491  2850.16    307.779  2732.02    576.334  71.637  3.9824  67.649  8.0221  3.987617       8.956210  
1 1 1 -28 17  8  o 52.927  4.2750  1567.43    242.974  1546.06    275.151  1643.10    517.771  52.295  4.9155  51.059  9.7175  1.235390       10.89004  
1 1 1 -28 17  9  o 20.258  7.8029  186.215    241.712  107.695    285.966  382.669    452.331  19.707  8.1714  27.137  10.612  -7.429953      13.39352  
1 1 1 -28 17  10 o 44.433  2.0773  1077.17    99.970   941.138    283.460  1096.50    106.834  39.671  6.8443  44.809  2.2013  -5.137726      7.189563  
1 1 1 -28 17  11 o 31.770  7.0741  617.990    237.168  661.655    273.313  484.878    477.201  32.516  7.8498  28.472  10.965  4.044250       13.48487  
1 1 1 -28 17  12 o 44.427  5.7449  1158.53    269.967  1385.43    319.987  598.160    502.873  48.300  6.2642  30.024  11.329  18.27659       12.94527  
1 1 1 -28 17  13 o 43.919  2.1561  1056.05    102.566  953.773    334.079  1066.69    107.771  38.469  8.2645  44.059  2.2660  -5.590652      8.569527  
1 1 1 -28 17  14 o 15.957  2.2507  142.265    37.819   272.824    276.868  139.782    38.176   22.126  8.3922  15.805  2.2974  6.321084       8.700978  
1 1 1 -28 17  15 o 41.217  6.4092  1033.74    276.823  1123.78    329.736  818.766    509.506  42.202  7.4880  32.802  11.548  9.400166       13.76329  
1 1 1 -28 17  16 o 44.184  5.6613  1164.92    264.694  1275.30    315.405  902.024    486.759  45.551  6.5839  34.118  11.304  11.43301       13.08128  
1 1 1 -28 17  17 o 14.447  6.6357  -102.3553  237.120  -145.6396  285.763  -6.6703    424.876  15.384  7.1436  20.011  9.0726  -4.626081      11.54737  
1 1 1 -28 17  18 o 33.965  7.4930  756.362    268.252  752.227    327.871  764.735    466.534  32.589  8.9945  30.961  11.034  1.627584       14.23565  
1 1 1 -28 17  19 o 26.113  8.0511  467.453    250.321  511.092    376.955  433.029    334.798  26.438  9.8416  24.946  9.2773  1.491447       13.52498  
1 1 1 -28 17  20 o 36.055  9.6985  978.428    387.004  978.428    387.004  0.0000     0.0000   36.055  9.6985  ?       ?       0.000000       9.698463  
1 1 1 -28 17  21 o 23.714  9.4958  376.038    370.236  376.038    370.236  0.0000     0.0000   23.714  9.4958  ?       ?       0.000000       9.495781  
1 1 1 -28 18  1  o 58.090  4.5432  1888.99    283.574  1801.39    343.856  2075.24    501.379  56.185  5.7307  58.962  8.0622  -2.777176      9.891432  
1 1 1 -28 18  2  o 45.726  5.6242  1195.41    272.676  1087.51    356.976  1346.55    422.495  42.457  8.0575  47.041  8.6095  -4.584206      11.79186  
1 1 1 -28 18  3  o 30.751  7.5730  571.211    250.560  775.473    311.209  194.826    422.448  35.645  8.2277  24.158  9.9672  11.48722       12.92441  
1 1 1 -28 18  4  o 50.025  4.9071  1410.98    262.452  1095.34    324.217  2010.99    447.010  43.032  7.2115  58.591  7.1952  -15.55900      10.18708  
1 1 1 -28 18  5  f 17.941  7.1540  112.911    209.233  193.796    237.736  -165.0370  440.699  20.484  7.7749  20.147  9.1749  0.3377686      12.02614  
1 1 1 -28 18  6  o 54.352  4.1921  1648.12    244.874  1622.73    277.996  1736.02    517.283  53.673  4.8339  52.937  9.3646  0.7356682      10.53859  
1 1 1 -28 18  7  o 38.704  5.4332  859.950    221.486  904.465    249.578  694.932    480.532  39.463  6.0306  32.991  11.234  6.472095       12.75007  
1 1 1 -28 18  8  o 42.907  5.1844  1050.57    236.046  1094.90    269.472  904.372    489.324  43.515  5.8671  36.856  11.238  6.658318       12.67724  
1 1 1 -28 18  9  o 48.961  4.6751  1354.97    244.906  1341.64    279.474  1399.06    508.372  48.373  5.4278  46.267  10.398  2.105816       11.72941  
1 1 1 -28 18  10 o 27.858  7.2350  475.828    220.249  464.645    249.097  515.895    471.502  27.374  7.9383  29.166  10.977  -1.791586      13.54689  
1 1 1 -28 18  11 o 30.178  7.6916  569.549    252.148  478.792    297.263  802.343    476.086  27.513  8.8144  34.018  11.175  -6.505106      14.23257  
1 1 1 -28 18  12 o 21.215  7.8578  244.694    239.703  332.162    279.836  3.6560     464.538  23.718  8.5358  21.593  9.6630  2.125235       12.89321  
1 1 1 -28 18  13 o 23.124  7.8848  326.699    236.734  305.787    274.863  386.779    465.894  22.907  8.4271  26.155  10.589  -3.247921      13.53292  
1 1 1 -28 18  14 o 59.048  4.5391  1994.40    288.075  2094.50    338.712  1732.65    547.701  59.977  5.2674  49.709  10.502  10.26847       11.74880  
1 1 1 -28 18  15 f 43.706  5.9079  1143.13    272.503  1325.80    321.845  680.584    512.140  46.628  6.5537  30.427  11.443  16.20125       13.18669  
1 1 1 -28 18  16 o 27.913  8.3000  520.903    269.394  640.089    332.766  294.236    458.904  30.285  9.2737  24.212  10.216  6.072662       13.79746  
1 1 1 -28 18  17 o 44.270  5.8856  1185.09    275.214  1146.22    332.080  1270.35    491.799  42.192  7.5437  40.852  10.909  1.339806       13.26342  
1 1 1 -28 18  18 o 49.480  5.4242  1464.04    285.930  1450.77    347.298  1491.94    503.744  47.945  6.8855  44.436  10.613  3.508789       12.65054  
1 1 1 -28 18  19 o 20.205  8.1316  215.743    273.003  248.140    349.396  164.959    437.447  21.695  9.0170  21.620  9.5426  0.7471848E-01  13.12889  
1 1 1 -28 18  20 o 21.462  9.2813  204.143    395.893  204.143    395.893  0.0000     0.0000   21.462  9.2813  ?       ?       0.000000       9.281267  
1 1 1 -28 19  1  o 48.323  5.0827  1322.32    262.031  1357.43    325.386  1257.54    441.966  48.389  6.3627  44.903  9.3896  3.486465       11.34234  
1 1 1 -28 19  2  o 44.953  5.6321  1156.78    268.198  1392.96    354.672  841.385    409.865  48.771  6.9074  36.328  10.068  12.44266       12.20978  
1 1 1 -28 19  3  o 20.914  7.9020  206.019    244.874  298.706    311.042  54.925     397.132  24.071  8.9440  21.668  9.3333  2.403080       12.92690  
1 1 1 -28 19  4  o 44.013  4.8684  1094.78    228.193  1253.31    268.633  683.903    432.469  46.917  5.3839  32.883  10.642  14.03367       11.92616  
1 1 1 -28 19  5  o 18.683  7.2344  145.982    208.624  115.610    236.887  250.966    440.418  18.735  7.5626  25.223  10.265  -6.487293      12.74969  
1 1 1 -28 19  6  o 16.630  6.8748  64.579     201.538  33.850     226.440  181.695    442.066  16.814  7.1399  24.210  10.109  -7.395790      12.37620  
1 1 1 -28 19  7  o 45.103  2.0201  1108.26    98.682   901.036    274.360  1139.05    105.760  39.061  6.7277  45.709  2.1363  -6.647278      7.058707  
1 1 1 -28 19  8  o 20.035  7.2597  207.290    202.881  265.368    226.842  -24.8796   453.544  21.953  7.7071  21.726  9.6464  0.2269344      12.34714  
1 1 1 -28 19  9  o 23.022  7.4298  312.136    210.914  217.805    236.612  677.021    465.357  20.843  7.7897  32.218  11.054  -11.37433      13.52300  
1 1 1 -28 19  10 f 58.609  2.6690  1884.39    169.429  2004.52    312.078  1834.19    201.751  59.379  4.8961  57.559  3.2495  1.820534       5.876267  
1 1 1 -28 19  11 o 82.800  3.6774  3813.45    329.792  3622.00    383.075  4361.63    648.220  80.111  4.4321  85.357  7.0753  -5.245750      8.348911  
1 1 1 -28 19  12 o 37.238  6.5386  839.519    254.100  754.560    296.562  1074.12    492.811  34.332  8.1052  38.628  11.155  -4.295879      13.78887  
1 1 1 -28 19  13 o 35.184  7.2393  774.135    266.676  702.761    317.038  946.797    493.107  32.508  8.7923  35.724  11.343  -3.215668      14.35140  
1 1 1 -28 19  14 o 44.715  5.6914  1184.13    269.389  1319.82    316.109  824.147    514.878  46.722  6.4159  33.061  11.611  13.66186       13.26579  
1 1 1 -28 19  15 o 18.257  7.5303  119.742    241.050  62.138     280.937  280.499    469.319  18.178  7.8398  24.359  10.308  -6.181000      12.95025  
1 1 1 -28 19  16 o 25.703  7.8718  432.333    239.757  398.381    282.907  518.869    451.663  24.737  8.6113  27.458  10.641  -2.720318      13.68891  
1 1 1 -28 19  17 o 22.979  7.9772  337.798    242.695  344.102    286.302  321.702    457.487  23.309  8.5967  24.265  10.217  -0.9557762     13.35284  
1 1 1 -28 19  18 o 25.106  8.3163  427.528    263.477  464.828    325.020  356.034    449.978  25.809  9.2086  24.388  10.193  1.420605       13.73640  
1 1 1 -28 19  19 o 30.268  8.7280  653.193    301.883  808.604    397.930  442.478    463.354  32.248  10.184  25.352  10.447  6.895811       14.58949  
1 1 1 -28 19  20 o 19.266  8.5551  76.413     356.823  76.413     356.823  0.0000     0.0000   19.266  8.5551  ?       ?       0.000000       8.555110  
1 1 1 -28 20  1  o 29.392  7.4208  522.368    236.275  367.534    294.133  804.032    396.712  25.348  8.7830  35.509  9.9282  -10.16054      13.25554  
1 1 1 -28 20  2  o 47.602  5.5638  1294.71    281.446  1218.95    382.875  1383.78    415.128  44.878  8.1782  47.797  8.3212  -2.919262      11.66726  
1 1 1 -28 20  3  o 71.348  3.9953  2825.88    307.508  2820.33    400.503  2833.85    479.968  70.645  5.2722  70.143  6.3876  0.5015030      8.282413  
1 1 1 -28 20  4  o 26.800  7.2051  431.509    213.665  464.602    236.096  281.759    502.232  27.716  7.6256  26.594  10.908  1.122002       13.30886  
1 1 1 -28 20  5  f 53.641  4.3810  1610.32    252.313  1844.23    290.053  882.833    511.530  57.285  4.7168  36.562  11.547  20.72267       12.47300  
1 1 1 -28 20  6  o 62.022  3.7240  2132.18    249.004  1973.94    280.044  2729.61    544.152  59.404  4.3835  67.956  7.5190  -8.551872      8.703477  
1 1 1 -28 20  7  o 54.467  4.0656  1654.94    238.117  1646.47    267.366  1687.43    523.587  54.105  4.6063  51.736  9.7003  2.369228       10.73840  
1 1 1 -28 20  8  o 32.788  6.3828  637.346    218.515  643.718    245.984  613.497    475.861  32.632  7.1568  31.222  11.142  1.409521       13.24259  
1 1 1 -28 20  9  o 19.494  1.4460  207.666    30.314   -65.9073   249.097  211.778    30.541   15.800  7.0729  19.688  1.4423  -3.888035      7.218448  
1 1 1 -28 20  10 o 29.649  7.5837  545.947    244.512  480.037    284.163  733.929    479.899  27.634  8.5876  32.876  11.226  -5.241383      14.13415  
1 1 1 -28 20  11 o 21.364  1.8130  250.607    41.556   300.115    272.914  249.432    42.047   23.009  8.4073  21.309  1.8398  1.699295       8.606224  
1 1 1 -28 20  12 o 69.083  4.0018  2686.68    298.151  2507.20    345.830  3206.33    588.438  66.135  4.8620  72.040  7.6590  -5.904884      9.071898  
1 1 1 -28 20  13 o 44.622  5.8481  1182.05    275.836  1235.76    327.245  1050.24    512.648  44.862  6.9603  37.417  11.519  7.445118       13.45877  
1 1 1 -28 20  14 o 25.899  7.9183  431.914    242.716  247.744    280.839  975.497    482.482  21.616  8.3869  36.165  11.182  -14.54901      13.97779  
1 1 1 -28 20  15 o 26.338  8.0018  452.572    248.413  365.124    289.097  699.343    485.639  24.121  8.6765  30.724  11.217  -6.602789      14.18085  
1 1 1 -28 20  16 o 38.432  7.0021  928.089    280.730  911.713    341.332  962.325    493.521  36.709  8.7152  35.088  11.370  1.620953       14.32549  
1 1 1 -28 20  17 o 33.959  7.3108  745.420    260.938  513.870    312.894  1274.23    472.853  27.150  9.0657  41.247  10.544  -14.09706      13.90552  
1 1 1 -28 20  18 o 3.2682  1.6555  -104.0263  29.431   209.012    339.106  -106.4022  29.543   21.110  8.8376  3.2495  1.6474  17.86056       8.989883  
1 1 1 -28 20  19 o 23.163  9.3269  335.673    359.345  335.673    359.345  0.0000     0.0000   23.163  9.3269  ?       ?       0.000000       9.326868  
1 1 1 -28 20  20 o 17.618  8.2333  -135.1718  389.410  -135.1718  389.410  0.0000     0.0000   17.618  8.2333  ?       ?       0.000000       8.233277  
1 1 1 -28 21  1  o 17.879  7.3877  80.257     232.579  20.679     280.814  210.399    415.035  18.212  7.8465  24.137  9.9096  -5.924538      12.63988  
1 1 1 -28 21  2  f 27.656  8.1086  464.670    258.626  323.643    326.519  702.117    423.681  24.742  9.1696  33.172  10.512  -8.430239      13.94938  
1 1 1 -28 21  3  o 27.682  6.6408  456.979    196.553  305.689    224.512  953.448    406.706  23.105  7.6779  38.756  9.7092  -15.65143      12.37811  
1 1 1 -28 21  4  o 39.808  5.3465  906.785    224.692  916.455    248.788  863.996    523.352  39.775  5.9584  36.162  11.707  3.613113       13.13616  
1 1 1 -28 21  5  o 40.827  5.2986  952.694    228.777  1106.16    259.993  426.271    481.538  43.912  5.5935  28.377  10.990  15.53498       12.33163  
1 1 1 -28 21  6  o 22.097  7.4795  275.333    213.007  313.494    241.450  141.382    452.365  23.440  7.9631  23.786  10.096  -0.3464966     12.85807  
1 1 1 -28 21  7  o 30.716  6.7383  564.862    218.010  506.010    245.188  787.049    476.410  28.759  7.7127  34.555  11.168  -5.795431      13.57232  
1 1 1 -28 21  8  o 5.5065  2.5009  -19.3224   32.463   199.667    242.008  -23.3350   32.759   20.542  7.8330  5.3929  2.4731  15.14905       8.214143  
1 1 1 -28 21  9  o 17.860  7.3342  94.646     227.404  78.745     262.073  143.103    457.489  18.482  7.7551  23.542  10.076  -5.059744      12.71494  
1 1 1 -28 21  10 o 32.033  6.7737  622.824    227.669  537.203    258.172  922.291    482.829  29.243  7.9447  36.388  11.175  -7.145357      13.71150  
1 1 1 -28 21  11 o 24.248  8.1415  359.242    252.365  232.642    298.368  677.489    473.060  21.887  8.6010  31.388  11.119  -9.501139      14.05742  
1 1 1 -28 21  12 o 39.334  6.0890  925.045    251.027  817.758    289.010  1254.63    506.551  35.993  7.6493  41.803  11.028  -5.809772      13.42144  
1 1 1 -28 21  13 o 22.727  8.0390  310.198    247.190  228.069    289.509  531.141    474.851  21.410  8.4536  28.325  10.929  -6.915453      13.81711  
1 1 1 -28 21  14 f 52.192  4.8760  1574.90    272.447  1420.63    315.567  2026.52    539.932  48.691  6.1189  55.020  9.3978  -6.329590      11.21430  
1 1 1 -28 21  15 o 25.429  8.0561  420.296    248.848  570.951    290.477  4.7709     482.414  29.145  8.6072  21.374  9.6812  7.770391       12.95411  
1 1 1 -28 21  16 o 18.726  7.5513  154.139    235.926  120.157    274.697  249.680    460.598  18.868  7.9296  23.594  10.105  -4.725613      12.84457  
1 1 1 -28 21  17 o 31.187  7.7795  645.391    261.908  801.085    316.130  304.641    467.678  34.204  8.5552  24.069  10.242  10.13482       13.34478  
1 1 1 -28 21  18 o 22.641  8.4796  324.898    280.670  338.022    356.398  303.469    455.418  23.391  9.3339  23.673  10.091  -0.2816391     13.74559  
1 1 1 -28 21  19 o 20.972  9.0742  178.661    378.828  178.661    378.828  0.0000     0.0000   20.972  9.0742  ?       ?       0.000000       9.074183  
1 1 1 -28 21  20 o 36.447  10.061  1021.77    410.175  1021.77    410.175  0.0000     0.0000   36.447  10.061  ?       ?       0.000000       10.06070  
1 1 1 -28 22  1  o 59.329  4.4150  1970.35    281.674  1864.05    351.571  2160.90    470.700  57.049  5.7690  60.499  7.3331  -3.450108      9.330373  
1 1 1 -28 22  2  o 67.169  3.4500  2491.48    250.145  2384.38    290.868  2795.64    490.191  65.434  4.1252  69.446  6.5962  -4.011375      7.779979  
1 1 1 -28 22  3  o 54.343  4.1114  1646.78    240.201  1615.29    266.938  1780.76    550.633  53.606  4.6434  53.140  9.9321  0.4660645      10.96390  
1 1 1 -28 22  4  o 43.169  4.7544  1053.41    218.614  1111.05    239.894  771.116    530.934  44.210  5.1037  34.417  11.807  9.792305       12.86317  
1 1 1 -28 22  5  o 47.198  4.5011  1252.44    227.309  1228.93    255.182  1342.80    500.183  46.486  5.1550  45.632  10.357  0.8542175      11.56917  
1 1 1 -28 22  6  o 26.906  2.4448  398.759    70.468   797.037    244.639  362.723    73.587   36.816  6.3653  25.603  2.6941  11.21309       6.911968  
1 1 1 -28 22  7  o 94.073  3.4602  4883.42    352.558  4907.86    407.250  4810.30    704.331  94.015  3.9994  90.333  7.2601  3.681343       8.288818  
1 1 1 -28 22  8  o 82.565  3.5113  3768.55    314.007  3688.80    360.153  4021.30    641.174  81.290  4.1038  82.349  7.2631  -1.058540      8.342271  
1 1 1 -28 22  9  o 21.330  7.5121  253.577    215.622  250.270    243.046  265.802    467.269  21.628  7.9292  25.249  10.455  -3.621107      13.12197  
1 1 1 -28 22  10 o 22.544  7.7406  297.190    228.208  316.992    261.219  233.360    468.991  23.354  8.2636  24.624  10.356  -1.270330      13.24860  
1 1 1 -28 22  11 o 36.065  1.1464  706.384    44.779   47.928     280.604  723.590    45.360   18.217  7.8461  36.501  1.1474  -18.28393      7.929581  
1 1 1 -28 22  12 o 66.548  4.1656  2504.24    298.735  2480.87    347.646  2570.19    584.082  65.692  4.9218  63.150  8.7767  2.541782       10.06252  
1 1 1 -28 22  13 o 36.605  6.5277  817.478    249.315  854.357    287.018  704.116    503.215  36.842  7.4488  31.189  11.413  5.652569       13.62883  
1 1 1 -28 22  14 o 26.482  8.5358  459.376    278.447  643.007    339.433  81.541     486.889  30.610  9.3649  22.375  9.9614  8.235460       13.67224  
1 1 1 -28 22  15 f 42.516  2.5489  999.608    116.835  1333.96    315.679  946.540    125.765  46.808  6.3939  41.268  2.8308  5.539921       6.992493  
1 1 1 -28 22  16 o 59.620  4.7562  2060.98    304.579  2236.89    360.769  1624.49    568.297  61.482  5.4750  46.048  11.444  15.43347       12.68651  
1 1 1 -28 22  17 o 19.623  7.7924  194.258    247.298  353.060    296.073  -172.1815  449.750  23.499  8.7271  18.813  8.8097  4.686007       12.40056  
1 1 1 -28 22  18 o 16.173  7.3483  -54.1347   280.609  125.213    363.660  -318.0656  441.156  20.222  8.8191  17.352  8.2993  2.869102       12.11016  
1 1 1 -28 22  19 o 17.832  8.1165  -28.2347   344.280  -28.2347   344.280  0.0000     0.0000   17.832  8.1165  ?       ?       0.000000       8.116487  
1 1 1 -28 22  20 o 23.473  9.6731  346.396    397.302  346.396    397.302  0.0000     0.0000   23.473  9.6731  ?       ?       0.000000       9.673084  
1 1 1 -28 23  1  o 56.896  4.6908  1821.67    286.490  1954.56    361.652  1597.77    469.424  58.385  5.7955  50.937  8.8287  7.448853       10.56095  
1 1 1 -28 23  2  o 51.411  4.2623  1478.91    235.202  1636.59    258.971  736.273    562.004  54.016  4.4666  33.812  12.104  20.20394       12.90201  
1 1 1 -28 23  3  o 32.810  6.3892  635.673    218.886  823.325    242.660  -183.6968  507.063  37.539  6.1835  21.355  9.7700  16.18398       11.56237  
1 1 1 -28 23  4  o 22.191  7.4158  280.134    209.366  365.902    230.801  -118.3495  497.485  24.798  7.7449  21.755  9.8446  3.042427       12.52596  
1 1 1 -28 23  5  o 13.394  6.0761  -90.1102   190.878  -92.6920   211.731  -78.9057   441.073  14.169  6.4162  20.909  9.3822  -6.739429      11.36629  
1 1 1 -28 23  6  o 93.819  3.3118  4848.22    336.535  4895.10    383.981  4692.89    698.908  94.039  3.7699  89.240  7.2946  4.798210       8.211186  
1 1 1 -28 23  7  o 96.499  3.3998  5138.05    355.337  5219.32    408.602  4885.87    719.760  96.982  3.8899  90.812  7.3816  6.169968       8.343807  
1 1 1 -28 23  8  o 50.222  4.9998  1437.59    268.353  1461.50    312.674  1370.71    522.871  50.187  5.8626  45.183  10.826  5.004009       12.31168  
1 1 1 -28 23  9  o 34.245  6.5148  703.245    232.815  722.047    265.371  640.411    485.121  34.284  7.3661  31.183  11.237  3.100782       13.43616  
1 1 1 -28 23  10 o 16.156  7.0192  7.5755     228.523  182.467    263.529  -522.6538  458.856  20.331  8.0534  17.160  8.2733  3.170507       11.54574  
1 1 1 -28 23  11 o 34.368  7.2574  734.442    261.680  709.804    308.185  798.102    495.388  33.009  8.5512  33.283  11.406  -0.2744484     14.25528  
1 1 1 -28 23  12 o 42.924  5.7275  1089.40    259.636  1124.49    300.651  986.473    514.934  43.008  6.6702  36.299  11.598  6.708988       13.37938  
1 1 1 -28 23  13 f 76.330  3.8942  3280.18    320.879  3203.88    373.045  3497.18    629.145  74.856  4.6238  74.610  7.9059  0.2463074      9.158770  
1 1 1 -28 23  14 o 17.594  7.3612  90.836     235.069  109.456    270.477  33.356     475.226  18.760  7.8754  21.657  9.7269  -2.897860      12.51542  
1 1 1 -28 23  15 o 44.110  5.9211  1169.24    275.740  1364.21    325.336  671.982    519.568  47.203  6.5391  30.020  11.470  17.18225       13.20312  
1 1 1 -28 23  16 o 18.678  7.7167  135.393    253.709  295.751    298.953  -277.4156  479.657  22.487  8.6732  18.696  8.8595  3.790924       12.39824  
1 1 1 -28 23  17 o 39.292  6.7027  969.320    275.012  1005.88    331.694  888.910    491.899  38.802  8.1516  33.092  11.364  5.710457       13.98556  
1 1 1 -28 23  18 f 16.089  7.3108  -54.4406   277.816  6.5667     356.345  -148.9927  443.624  18.602  8.3825  18.711  8.7579  -0.1089630     12.12299  
1 1 1 -28 23  19 o 18.924  8.5526  17.554     374.110  17.554     374.110  0.0000     0.0000   18.924  8.5526  ?       ?       0.000000       8.552644  
1 1 1 -28 23  20 o 25.534  9.3971  471.358    341.834  471.358    341.834  0.0000     0.0000   25.534  9.3971  ?       ?       0.000000       9.397115  
1 1 1 -28 24  1  o 66.061  3.4191  2411.86    243.800  2334.50    285.984  2617.62    466.392  64.705  4.1019  67.129  6.4958  -2.424026      7.682541  
1 1 1 -28 24  2  o 54.505  4.0911  1658.09    239.751  1524.95    263.733  2291.88    575.423  51.997  4.7348  61.030  8.9730  -9.032719      10.14564  
1 1 1 -28 24  3  o 61.016  3.8519  2068.89    253.252  2176.94    281.966  1617.95    576.016  62.449  4.1930  49.629  11.004  12.81996       11.77622  
1 1 1 -28 24  4  o 48.325  4.6909  1317.93    242.435  1257.41    270.197  1567.86    549.095  46.879  5.4214  49.091  10.635  -2.211700      11.93671  
1 1 1 -28 24  5  o 48.349  4.5943  1317.93    237.700  1460.66    268.965  808.850    507.963  50.762  4.9552  34.878  11.547  15.88414       12.56514  
1 1 1 -28 24  6  o 17.435  7.0372  100.165    205.104  191.169    229.312  -263.8652  458.634  20.109  7.6350  19.438  9.0338  0.6708298      11.82806  
1 1 1 -28 24  7  o 52.583  2.4512  1512.63    139.603  1564.31    277.470  1495.11    161.538  52.468  4.9407  52.104  2.8735  0.3644104      5.715611  
1 1 1 -28 24  8  o 69.270  3.9123  2677.92    292.326  2765.87    336.618  2408.12    589.567  70.096  4.4569  61.900  9.0621  8.196026       10.09882  
1 1 1 -28 24  9  f 64.425  3.9759  2324.20    276.078  2415.53    316.078  2030.31    566.996  65.390  4.4900  55.944  9.7096  9.446533       10.69751  
1 1 1 -28 24  10 o 25.249  7.7877  396.943    234.186  391.308    268.433  414.894    479.138  25.146  8.3970  27.107  10.821  -1.960232      13.69650  
1 1 1 -28 24  11 o 25.669  8.1550  417.744    254.862  379.314    299.897  517.658    483.560  24.847  8.8476  28.413  11.011  -3.565666      14.12490  
1 1 1 -28 24  12 o 37.338  6.6275  851.509    258.203  864.007    300.493  816.245    504.762  36.866  7.7706  33.203  11.506  3.663113       13.88385  
1 1 1 -28 24  13 o 16.645  7.2397  21.311     243.669  55.550     284.029  -74.1410   474.235  18.242  7.8752  20.684  9.4575  -2.441980      12.30702  
1 1 1 -28 24  14 o 21.327  8.0668  252.672    255.362  357.748    302.063  -10.5357   478.075  24.084  8.8381  21.238  9.6268  2.845909       13.06855  
1 1 1 -28 24  15 o 56.433  4.7133  1840.62    285.454  1862.71    332.192  1778.28    558.113  56.117  5.5377  49.547  10.712  6.569626       12.05877  
1 1 1 -28 24  16 o 17.856  7.6840  71.188     268.666  32.619     324.328  155.531    479.614  18.528  8.1952  22.590  9.9801  -4.061543      12.91374  
1 1 1 -28 24  17 o 17.666  7.5573  82.033     257.101  -5.8951    312.874  264.869    451.165  17.650  7.9121  23.312  9.9927  -5.661823      12.74576  
1 1 1 -28 24  18 o 22.642  9.3458  288.782    371.643  288.782    371.643  0.0000     0.0000   22.642  9.3458  ?       ?       0.000000       9.345840  
1 1 1 -28 24  19 o 22.561  9.0048  312.472    331.777  312.472    331.777  0.0000     0.0000   22.561  9.0048  ?       ?       0.000000       9.004752  
1 1 1 -28 24  20 o 23.062  8.9770  346.182    322.549  346.182    322.549  0.0000     0.0000   23.062  8.9770  ?       ?       0.000000       8.977016  
1 1 1 -28 25  1  o 15.304  6.5988  5.2166     198.921  19.216     215.311  -76.3718   519.796  16.122  6.9068  22.492  10.131  -6.369984      12.26131  
1 1 1 -28 25  2  o 13.355  6.0880  -101.9533  194.661  -86.3510   211.233  -189.8475  501.358  14.230  6.4293  21.085  9.6715  -6.854802      11.61351  
1 1 1 -28 25  3  o 35.791  5.7397  744.411    214.986  769.085    236.631  627.749    514.534  36.168  6.2677  31.685  11.549  4.483107       13.14007  
1 1 1 -28 25  4  o 53.766  4.2037  1617.77    242.848  1648.25    269.563  1486.46    559.514  54.081  4.6471  47.283  11.113  6.798225       12.04566  
1 1 1 -28 25  5  o 41.832  5.3423  1004.52    236.524  1089.18    269.214  718.059    495.227  43.331  5.8888  33.116  11.401  10.21528       12.83196  
1 1 1 -28 25  6  o 74.442  3.6214  3066.65    291.986  3013.76    333.838  3238.81    602.305  73.409  4.2164  73.528  7.6761  -0.1186829     8.757919  
1 1 1 -28 25  7  o 40.783  5.5780  964.187    239.931  717.297    272.994  1802.25    502.969  34.158  7.5771  53.581  8.9848  -19.42305      11.75329  
1 1 1 -28 25  8  o 66.181  3.8619  2445.28    275.627  2460.38    313.209  2393.46    580.326  66.094  4.4004  61.696  8.9454  4.397358       9.969108  
1 1 1 -28 25  9  o 49.322  5.1672  1400.07    271.939  1452.42    317.525  1256.01    526.749  49.739  6.0163  42.250  11.294  7.489819       12.79624  
1 1 1 -28 25  10 o 17.849  7.1832  120.637    213.023  21.844     239.104  500.818    469.048  16.666  7.2102  28.267  10.875  -11.60029      13.04789  
1 1 1 -28 25  11 o 20.587  7.7710  223.634    236.680  329.185    272.584  -99.7331   477.109  23.480  8.4272  20.665  9.4625  2.815523       12.67109  
1 1 1 -28 25  12 o 16.727  7.2983  14.340     249.296  84.374     295.070  -160.3304  465.994  19.000  8.1112  19.818  9.1738  -0.8170986     12.24542  
1 1 1 -28 25  13 o 53.674  4.7085  1656.68    270.963  1559.94    311.871  1954.57    547.276  51.393  5.6987  53.687  9.7716  -2.294430      11.31192  
1 1 1 -28 25  14 o 22.609  8.0565  310.452    248.706  427.917    289.865  -17.3267   484.207  25.618  8.7249  21.249  9.6537  4.369162       13.01223  
1 1 1 -28 25  15 o 23.415  8.3903  343.278    270.101  461.394    322.224  64.172     495.323  26.236  9.1870  22.050  9.9147  4.185514       13.51674  
1 1 1 -28 25  16 o 33.763  1.2371  620.173    45.240   99.900     290.823  633.075    45.797   18.773  8.0343  34.112  1.2396  -15.33902      8.129366  
1 1 1 -28 25  17 o 21.474  8.1755  273.536    263.371  202.170    317.030  432.484    473.133  20.767  8.6068  25.672  10.565  -4.904654      13.62692  
1 1 1 -28 25  18 o 23.684  9.0645  368.785    324.831  368.785    324.831  0.0000     0.0000   23.684  9.0645  ?       ?       0.000000       9.064460  
1 1 1 -28 25  19 o 25.702  9.3472  473.653    336.771  473.653    336.771  0.0000     0.0000   25.702  9.3472  ?       ?       0.000000       9.347161  
1 1 1 -28 26  1  o 84.310  3.2867  3917.60    300.132  3810.44    332.587  4387.68    696.580  82.956  3.7016  85.832  7.5705  -2.876129      8.426954  
1 1 1 -28 26  2  o 83.955  3.4048  3888.41    309.603  3724.19    344.357  4581.00    707.184  81.939  3.8802  87.838  7.5054  -5.898758      8.449023  
1 1 1 -28 26  3  o 80.382  3.3520  3562.32    291.831  3531.93    326.777  3682.03    648.598  79.848  3.7785  78.506  7.7281  1.341805       8.602337  
1 1 1 -28 26  4  o 53.353  4.2279  1595.25    242.320  1535.19    268.645  1857.41    561.288  52.074  4.8177  53.855  9.9904  -1.780594      11.09138  
1 1 1 -28 26  5  o 41.505  5.2639  989.026    231.314  875.008    261.540  1398.56    495.673  38.438  6.5149  46.359  10.153  -7.921089      12.06332  
1 1 1 -28 26  6  o 49.939  4.7698  1414.91    254.859  1432.76    292.557  1358.70    519.031  49.888  5.5060  45.045  10.782  4.843796       12.10650  
1 1 1 -28 26  7  o 27.827  7.4084  477.265    227.249  478.433    258.164  473.245    478.919  27.701  8.0955  28.467  10.978  -0.7662868     13.64038  
1 1 1 -28 26  8  o 71.039  3.8211  2816.92    292.926  2907.05    335.871  2530.53    598.713  71.865  4.3353  63.292  8.9860  8.572533       9.977130  
1 1 1 -28 26  9  o 77.244  3.7596  3325.50    314.544  3354.04    363.849  3241.08    625.778  77.080  4.3763  72.317  8.1303  4.763214       9.233294  
1 1 1 -28 26  10 o 36.633  6.1578  803.794    235.657  915.789    266.767  405.874    502.842  38.912  6.5632  26.971  10.971  11.94093       12.78437  
1 1 1 -28 26  11 o 27.750  7.6434  490.518    237.049  513.570    271.318  416.166    487.274  28.122  8.3222  26.805  10.837  1.317123       13.66380  
1 1 1 -28 26  12 o 24.780  1.7134  336.452    45.705   327.782    278.041  336.693    46.335   23.410  8.4962  24.785  1.7370  -1.375038      8.671947  
1 1 1 -28 26  13 o 26.110  1.2287  370.582    34.747   -81.7107   325.726  375.788    34.946   17.406  7.9117  26.292  1.2272  -8.886370      8.006338  
1 1 1 -28 26  14 o 39.484  2.1374  857.001    91.066   845.436    342.197  857.882    94.472   35.297  8.9410  39.482  2.2182  -4.185608      9.212017  
1 1 1 -28 26  15 o 53.156  5.1101  1654.20    290.580  1526.22    340.441  1997.66    557.704  49.983  6.4383  53.365  10.017  -3.382500      11.90743  
1 1 1 -28 26  16 o 17.325  7.5907  33.880     272.172  -18.4070   330.415  144.241    480.035  17.971  8.0873  22.400  9.9360  -4.429426      12.81124  
1 1 1 -28 26  17 o 18.726  8.0289  104.784    291.383  36.925     365.122  223.796    483.542  19.213  8.5848  23.084  10.116  -3.870022      13.26734  
1 1 1 -28 26  18 o 36.180  8.6900  917.116    336.262  917.116    336.262  0.0000     0.0000   36.180  8.6900  ?       ?       0.000000       8.690024  
1 1 1 -28 26  19 o 21.452  8.5213  268.708    295.801  268.708    295.801  0.0000     0.0000   21.452  8.5213  ?       ?       0.000000       8.521282  
1 1 1 -28 27  1  o 17.472  7.1204  94.686     212.302  104.316    231.575  43.951     531.534  18.198  7.4287  23.756  10.500  -5.557903      12.86251  
1 1 1 -28 27  2  o 33.310  6.3237  658.387    219.805  660.174    238.800  648.473    562.381  33.112  6.8832  31.949  11.996  1.162802       13.83020  
1 1 1 -28 27  3  o 23.927  7.2307  343.552    203.240  322.253    222.212  452.550    502.684  23.383  7.6321  28.586  11.185  -5.202368      13.54051  
1 1 1 -28 27  4  o 14.997  6.5564  -15.8783   202.084  7.6447     221.041  -135.6386  498.750  16.059  6.9400  21.386  9.7476  -5.327215      11.96575  
1 1 1 -28 27  5  o 61.548  4.0239  2117.27    266.768  2316.60    305.072  1469.66    549.890  64.192  4.4147  46.674  11.049  17.51714       11.89816  
1 1 1 -28 27  6  f 67.458  3.8030  2535.60    276.725  2494.56    315.581  2672.14    575.653  66.593  4.4001  66.030  8.2276  0.5633163      9.330302  
1 1 1 -28 27  7  o 23.635  7.7809  334.126    230.777  318.198    264.431  385.026    472.702  23.491  8.3141  26.948  10.751  -3.456587      13.59042  
1 1 1 -28 27  8  o 16.597  6.9492  61.811     209.710  46.711     234.517  122.069    468.486  17.040  7.2517  23.197  10.064  -6.156994      12.40458  
1 1 1 -28 27  9  o 13.828  6.2848  -87.6081   205.479  -86.2179   228.933  -93.3696   466.039  14.680  6.6574  20.689  9.4271  -6.009041      11.54079  
1 1 1 -28 27  10 o 42.465  5.8262  1066.24    260.910  1119.92    302.220  909.169    516.992  42.975  6.7123  35.079  11.651  7.896561       13.44597  
1 1 1 -28 27  11 o 34.495  7.1551  741.594    258.560  826.761    302.158  508.686    499.678  35.932  7.9723  28.197  11.115  7.735287       13.67827  
1 1 1 -28 27  12 o 61.142  4.7251  2145.24    310.480  2334.41    369.930  1694.45    571.072  63.214  5.4565  48.532  11.104  14.68156       12.37269  
1 1 1 -28 27  13 o 36.960  6.7689  843.385    260.987  803.934    303.671  954.874    510.497  35.131  8.1401  35.356  11.569  -0.2249870     14.14608  
1 1 1 -28 27  14 o 42.720  6.0982  1102.17    274.157  1052.32    320.683  1237.55    528.482  40.653  7.5613  40.094  11.544  0.5588684      13.80007  
1 1 1 -28 27  15 o 60.132  4.8932  2102.65    315.923  2164.53    376.710  1955.98    580.004  60.143  5.8573  51.900  10.674  8.243221       12.17569  
1 1 1 -28 27  16 o 26.800  8.3603  487.196    269.025  329.485    317.169  891.640    507.914  23.193  8.9369  33.134  11.538  -9.941692      14.59441  
1 1 1 -28 27  17 o 16.498  7.3387  -0.3032    263.673  -0.3032    263.673  0.0000     0.0000   16.498  7.3387  ?       ?       0.000000       7.338681  
1 1 1 -28 27  18 f 24.038  8.7645  391.760    296.371  391.760    296.371  0.0000     0.0000   24.038  8.7645  ?       ?       0.000000       8.764490  
1 1 1 -28 27  19 o 36.460  8.2759  914.350    319.337  914.350    319.337  0.0000     0.0000   36.460  8.2759  ?       ?       0.000000       8.275928  
1 1 1 -28 28  1  f 53.744  6.5556  1701.97    373.694  1771.02    479.942  1595.64    595.535  53.380  8.5928  48.127  11.568  5.252499       14.41020  
1 1 1 -28 28  2  o 77.933  3.9469  3386.63    332.065  3462.33    379.380  3138.63    686.635  78.477  4.4820  70.770  9.1738  7.706680       10.21009  
1 1 1 -28 28  3  o 43.628  4.8208  1083.82    223.998  1056.07    246.302  1216.56    538.679  42.782  5.4382  41.956  11.508  0.8262482      12.72830  
1 1 1 -28 28  4  o 27.554  7.0927  463.560    212.928  547.185    233.872  58.411     514.777  29.876  7.2916  23.552  10.376  6.323174       12.68169  
1 1 1 -28 28  5  o 68.327  3.6952  2597.25    272.449  2537.15    308.586  2809.74    580.211  67.238  4.2593  67.880  8.0485  -0.6425476     9.106076  
1 1 1 -28 28  6  o 30.399  7.1498  566.644    231.461  587.239    264.064  498.347    480.867  30.635  7.9053  28.809  11.028  1.826202       13.56880  
1 1 1 -28 28  7  o 41.463  5.4791  999.017    240.030  971.255    272.651  1094.65    506.055  40.365  6.4538  39.499  11.273  0.8658180      12.98981  
1 1 1 -28 28  8  o 81.721  2.9732  3682.52    263.165  3785.60    362.647  3567.85    382.487  82.214  4.0725  79.443  4.4633  2.771568       6.042069  
1 1 1 -28 28  9  o 82.913  3.5488  3826.06    318.692  3810.62    364.438  3876.23    657.006  82.386  4.0842  79.296  7.7488  3.089363       8.759199  
1 1 1 -28 28  10 o 54.536  4.7396  1704.62    277.177  1789.06    320.584  1454.61    551.633  55.429  5.4089  44.833  11.349  10.59578       12.57242  
1 1 1 -28 28  11 o 19.836  7.6863  193.167    235.634  268.511    270.889  -41.0995   477.660  22.039  8.3150  21.174  9.6077  0.8651485      12.70616  
1 1 1 -28 28  12 o 13.420  2.8572  103.106    40.255   327.215    278.944  98.339     40.681   23.368  8.5056  13.087  2.9415  10.28075       8.999837  
1 1 1 -28 28  13 o 45.877  1.9893  1151.41    98.845   824.635    305.486  1189.62    104.464  35.594  8.1056  46.613  2.0692  -11.01902      8.365491  
1 1 1 -28 28  14 o 21.408  8.0894  258.959    256.639  158.589    300.612  528.744    492.847  20.121  8.3634  27.882  11.023  -7.760981      13.83687  
1 1 1 -28 28  15 o 15.970  7.0733  -7.4933    242.382  42.896     280.260  -157.0283  482.796  17.719  7.7344  19.712  9.1969  -1.993069      12.01681  
1 1 1 -28 28  16 o 16.900  7.4595  15.557     267.318  -42.7374   320.181  149.687    485.674  17.406  7.8851  22.457  9.9762  -5.051285      12.71608  
1 1 1 -28 28  17 o 13.778  6.5638  -246.9789  270.292  -246.9789  270.292  0.0000     0.0000   13.778  6.5638  ?       ?       0.000000       6.563849  
1 1 1 -28 28  18 o 17.910  8.1441  -29.0860   345.595  -29.0860   345.595  0.0000     0.0000   17.910  8.1441  ?       ?       0.000000       8.144105  
1 1 1 -28 28  19 o 25.416  8.8669  455.603    300.026  455.603    300.026  0.0000     0.0000   25.416  8.8669  ?       ?       0.000000       8.866888  
1 1 1 -28 29  1  o 31.912  7.6971  632.591    262.965  757.636    299.705  214.313    548.143  34.771  8.1074  25.679  11.011  9.092276       13.67377  
1 1 1 -28 29  2  o 19.084  7.4780  155.851    224.970  152.159    247.243  173.618    542.369  19.505  7.7770  25.179  10.876  -5.674685      13.37067  
1 1 1 -28 29  3  o 55.474  4.0117  1723.15    239.413  1833.66    264.374  1219.43    564.432  57.093  4.3070  41.508  11.924  15.58486       12.67831  
1 1 1 -28 29  4  o 71.302  3.6387  2826.54    280.075  3070.47    312.450  1829.09    631.828  74.179  3.9026  51.480  11.608  22.69889       12.24694  
1 1 1 -28 29  5  o 36.608  5.9083  788.317    226.287  826.816    251.746  626.340    516.377  37.225  6.4793  31.044  11.526  6.181547       13.22245  
1 1 1 -28 29  6  o 14.019  6.3551  -85.9063   208.402  -84.9265   234.662  -89.5639   453.377  14.966  6.7678  20.662  9.3694  -5.695839      11.55807  
1 1 1 -28 29  7  o 18.201  2.4443  184.701    46.969   457.195    259.841  175.497    47.755   26.937  8.1838  17.708  2.5645  9.228910       8.576178  
1 1 1 -28 29  8  o 36.045  5.9655  772.152    224.752  737.286    251.632  909.689    499.778  34.686  6.9402  35.534  11.434  -0.8481789     13.37525  
1 1 1 -28 29  9  o 31.682  6.8844  619.506    229.491  712.243    258.959  280.177    495.353  33.798  7.2884  25.190  10.621  8.608330       12.88092  
1 1 1 -28 29  10 o 66.518  3.8775  2487.81    278.145  2413.73    315.365  2747.27    590.179  65.104  4.4999  65.624  8.5033  -0.5193405     9.620571  
1 1 1 -28 29  11 o 25.506  7.5864  412.217    225.040  451.552    253.541  266.173    488.541  26.498  8.0915  24.728  10.493  1.770044       13.25053  
1 1 1 -28 29  12 o 47.442  5.4077  1320.08    272.906  1349.75    316.907  1234.94    536.857  47.326  6.3420  40.441  11.633  6.885315       13.24924  
1 1 1 -28 29  13 o 34.064  7.8077  749.826    281.902  831.586    336.942  559.070    514.665  35.126  8.8581  28.558  11.273  6.567215       14.33675  
1 1 1 -28 29  14 o 73.503  4.2329  3078.49    335.562  2978.57    395.551  3335.00    633.788  71.462  5.1448  71.747  8.3097  -0.2844467     9.773489  
1 1 1 -28 29  15 o 29.544  1.8825  479.506    59.923   525.162    299.498  477.602    61.160   27.639  8.8467  29.475  1.9264  -1.836678      9.053997  
1 1 1 -28 29  16 o 20.218  7.9199  219.263    252.276  236.736    294.027  170.505    491.148  21.124  8.4610  22.713  10.064  -1.589027      13.14787  
1 1 1 -28 29  17 o 17.089  7.6096  7.5488     284.262  7.5488     284.262  0.0000     0.0000   17.089  7.6096  ?       ?       0.000000       7.609572  
1 1 1 -28 29  18 o 26.895  8.8594  514.263    299.167  514.263    299.167  0.0000     0.0000   26.895  8.8594  ?       ?       0.000000       8.859371  
1 1 1 -28 29  19 o 27.920  8.8861  560.605    302.501  560.605    302.501  0.0000     0.0000   27.920  8.8861  ?       ?       0.000000       8.886124  
1 1 1 -28 30  1  o 27.930  6.5675  473.235    195.336  444.626    209.205  667.801    545.575  26.900  7.0829  31.685  11.831  -4.785070      13.78917  
1 1 1 -28 30  2  o 25.445  8.2604  396.963    260.433  499.239    295.037  36.064     554.219  28.097  8.7535  23.812  10.613  4.285244       13.75689  
1 1 1 -28 30  3  o 35.418  7.2249  766.401    267.769  789.942    311.801  700.260    522.638  35.390  8.2814  32.249  11.657  3.140869       14.29921  
1 1 1 -28 30  4  o 113.447 3.2682  7110.94    401.585  7111.87    454.405  7107.62    858.195  113.133 3.7084  109.004 7.3113  4.128609       8.198015  
1 1 1 -28 30  5  o 113.591 3.2870  7133.91    404.408  6929.03    460.128  7829.49    847.813  111.557 3.8081  114.992 6.8379  -3.434608      7.826829  
1 1 1 -28 30  6  o 44.812  2.1782  1097.85    105.719  1104.04    258.440  1096.60    115.856  43.506  5.6156  44.678  2.4030  -1.172348      6.108156  
1 1 1 -28 30  7  o 47.682  4.7772  1300.84    243.395  1436.20    275.455  818.745    519.828  49.898  5.1719  33.830  11.679  16.06875       12.77268  
1 1 1 -28 30  8  o 55.947  4.2230  1770.55    254.013  1843.57    286.455  1501.82    549.508  56.813  4.6974  46.037  11.141  10.77552       12.09054  
1 1 1 -28 30  9  o 47.112  5.2135  1288.93    261.569  1224.20    300.791  1489.70    529.758  45.216  6.3142  46.024  10.811  -0.8078728     12.51999  
1 1 1 -28 30  10 o 40.214  5.7636  958.029    243.864  1042.77    277.001  666.034    514.174  41.623  6.3451  30.731  11.483  10.89169       13.11981  
1 1 1 -28 30  11 o 12.914  6.1282  -229.3903  231.093  -195.6211  264.833  -337.1697  473.129  14.420  6.7549  18.513  8.7804  -4.093448      11.07814  
1 1 1 -28 30  12 o 65.059  4.2419  2404.67    297.275  2391.88    342.863  2443.40    596.644  64.342  4.9581  60.504  9.4103  3.837067       10.63662  
1 1 1 -28 30  13 o 105.392 3.5902  6221.33    409.827  5808.40    474.738  7429.22    811.949  101.069 4.3368  110.355 6.8266  -9.285965      8.087658  
1 1 1 -28 30  14 o 59.075  4.6071  2011.51    292.454  2074.36    338.077  1824.64    582.943  59.419  5.3091  49.633  11.120  9.785255       12.32206  
1 1 1 -28 30  15 o 33.501  7.4570  727.186    263.618  841.112    306.873  406.348    514.981  35.551  8.1444  25.888  10.867  9.663391       13.58051  
1 1 1 -28 30  16 o 42.816  8.6846  1249.37    388.968  1249.37    388.968  0.0000     0.0000   42.816  8.6846  ?       ?       0.000000       8.684610  
1 1 1 -28 30  17 o 43.548  7.1028  1215.47    323.471  1215.47    323.471  0.0000     0.0000   43.548  7.1028  ?       ?       0.000000       7.102796  
1 1 1 -28 30  18 o 32.742  8.9700  768.123    327.503  768.123    327.503  0.0000     0.0000   32.742  8.9700  ?       ?       0.000000       8.969993  
1 1 1 -28 31  1  o 46.029  4.3827  1200.73    215.855  1136.54    232.380  1604.53    582.820  44.528  4.8994  47.876  11.403  -3.347855      12.41070  
1 1 1 -28 31  2  o 69.546  4.4013  2728.46    329.824  2547.99    380.447  3274.46    661.743  66.590  5.3193  72.380  8.6100  -5.790222      10.12065  
1 1 1 -28 31  3  o 65.975  4.4944  2460.28    319.243  2558.27    375.972  2207.08    604.389  66.787  5.2395  58.050  9.9720  8.736984       11.26473  
1 1 1 -28 31  4  o 69.309  3.7582  2681.24    281.067  2758.50    314.010  2369.90    630.356  70.073  4.1559  60.068  10.043  10.00463       10.86937  
1 1 1 -28 31  5  o 31.558  1.9806  545.701    67.356   613.546    261.168  540.867    69.715   31.253  7.7528  31.402  2.0611  -0.1498241     8.022155  
1 1 1 -28 31  6  o 20.346  7.5476  218.098    221.320  220.040    251.164  211.355    468.119  20.882  7.9757  24.184  10.267  -3.302202      13.00125  
1 1 1 -28 31  7  o 22.289  7.4082  297.610    209.015  327.690    232.640  171.664    476.029  23.269  7.8169  23.690  10.211  -0.4204979     12.85971  
1 1 1 -28 31  8  o 18.055  7.0390  146.188    198.556  159.642    218.397  82.071     476.764  18.804  7.3681  22.574  9.9631  -3.770292      12.39159  
1 1 1 -28 31  9  o 15.935  1.8819  140.525    31.855   -23.9851   263.040  142.973    32.091   16.571  7.3525  16.076  1.8785  0.4950867      7.588688  
1 1 1 -28 31  10 o 14.479  6.6569  -121.7869  239.438  27.214     277.569  -555.0937  473.342  17.709  7.7147  17.076  8.2739  0.6335583      11.31255  
1 1 1 -28 31  11 o 24.810  7.7705  389.911    232.146  303.215    262.413  702.043    497.913  22.687  8.2509  31.164  11.361  -8.476318      14.04067  
1 1 1 -28 31  12 o 41.341  5.6078  1012.94    244.618  1206.07    275.966  304.756    528.440  45.035  5.7919  25.404  10.850  19.63080       12.29918  
1 1 1 -28 31  13 o 28.543  8.2823  540.227    271.079  748.456    319.566  5.9307     511.895  33.306  8.7465  21.867  9.9311  11.43901       13.23363  
1 1 1 -28 31  14 o 37.369  7.2531  887.151    282.981  880.876    335.546  902.607    526.598  36.081  8.6898  33.606  11.746  2.475407       14.61084  
1 1 1 -28 31  15 f 17.079  7.4715  32.369     262.789  51.771     311.944  -15.0579   487.717  18.496  8.1145  20.934  9.5788  -2.437508      12.55379  
1 1 1 -28 31  16 o 23.968  9.0435  373.485    320.449  373.485    320.449  0.0000     0.0000   23.968  9.0435  ?       ?       0.000000       9.043516  
1 1 1 -28 31  17 o 26.335  8.5198  482.672    277.210  482.672    277.210  0.0000     0.0000   26.335  8.5198  ?       ?       0.000000       8.519763  
1 1 1 -28 31  18 o 20.302  8.6933  161.629    340.812  161.629    340.812  0.0000     0.0000   20.302  8.6933  ?       ?       0.000000       8.693343  
1 1 1 -28 32  1  o 37.115  5.1253  798.693    200.538  817.116    214.465  670.513    565.710  37.389  5.4566  31.414  11.977  5.975685       13.16105  
1 1 1 -28 32  2  o 17.303  6.8707  117.719    192.243  186.581    205.080  -381.2429  552.039  19.287  7.2434  20.107  9.5212  -0.8198566     11.96334  
1 1 1 -28 32  3  o 22.932  8.1312  304.866    253.036  327.246    292.553  238.406    504.155  23.844  8.7057  25.077  10.651  -1.232872      13.75645  
1 1 1 -28 32  4  o 54.576  2.4109  1632.29    142.509  1576.41    282.722  1651.32    165.005  52.397  5.0441  54.715  2.7936  -2.317913      5.766035  
1 1 1 -28 32  5  o 39.538  5.6541  917.326    235.232  1038.60    260.172  374.168    550.593  41.981  5.8834  27.205  11.314  14.77570       12.75252  
1 1 1 -28 32  6  o 23.442  7.8071  333.933    232.088  283.597    266.020  494.354    474.904  22.473  8.2869  28.198  10.916  -5.724722      13.70516  
1 1 1 -28 32  7  o 26.342  7.4687  436.128    222.884  299.039    250.769  951.743    486.335  22.633  8.0872  36.286  11.228  -13.65272      13.83712  
1 1 1 -28 32  8  o 40.220  5.7165  955.470    242.019  1012.03    274.833  760.138    510.750  41.003  6.3973  32.426  11.546  8.577091       13.20014  
1 1 1 -28 32  9  o 14.450  6.5695  -87.8158   224.721  -19.1315   254.987  -326.7145  475.550  16.410  7.2620  18.716  8.8550  -2.305992      11.45195  
1 1 1 -28 32  10 o 41.676  5.5901  1024.24    245.974  1065.67    278.892  879.147    521.898  42.070  6.3155  34.230  11.707  7.840595       13.30188  
1 1 1 -28 32  11 o 19.812  7.5969  200.253    228.435  15.246     257.476  884.398    495.125  16.935  7.4022  34.364  11.401  -17.42960      13.59327  
1 1 1 -28 32  12 o 38.333  6.3703  895.305    255.200  794.305    291.512  1226.64    527.995  35.061  7.8695  40.149  11.533  -5.087971      13.96183  
1 1 1 -28 32  13 o 48.136  5.2569  1360.66    269.618  1529.29    309.501  829.937    549.081  50.693  5.7380  32.504  11.918  18.18868       13.22714  
1 1 1 -28 32  14 o 43.202  6.2189  1138.31    282.611  953.367    331.974  1625.19    538.645  37.844  8.3253  46.869  10.829  -9.025570      13.65900  
1 1 1 -28 32  15 o 19.112  8.0386  131.792    282.666  131.792    282.666  0.0000     0.0000   19.112  8.0386  ?       ?       0.000000       8.038610  
1 1 1 -28 32  16 o 18.601  8.1936  55.281     320.920  55.281     320.920  0.0000     0.0000   18.601  8.1936  ?       ?       0.000000       8.193574  
1 1 1 -28 32  17 o 36.397  8.8740  932.982    346.674  932.982    346.674  0.0000     0.0000   36.397  8.8740  ?       ?       0.000000       8.874040  
1 1 1 -28 32  18 o 33.679  10.029  865.346    393.083  865.346    393.083  0.0000     0.0000   33.679  10.029  ?       ?       0.000000       10.02857  
1 1 1 -28 33  1  o 31.066  6.0300  578.758    195.579  579.104    208.987  576.323    554.971  30.871  6.4577  29.826  11.727  1.045286       13.38778  
1 1 1 -28 33  2  o 11.687  5.5236  -183.8112  184.158  -212.3832  195.914  33.062     539.757  11.832  5.6228  23.224  10.403  -11.39168      11.82513  
1 1 1 -28 33  3  o 22.106  8.0469  274.806    249.677  235.898    287.467  394.297    503.771  21.776  8.4753  26.992  10.981  -5.216179      13.87104  
1 1 1 -28 33  4  o 36.941  7.0959  837.919    273.595  839.098    317.394  834.507    539.738  36.237  8.2693  33.921  11.889  2.316158       14.48242  
1 1 1 -28 33  5  o 62.901  3.9935  2224.97    270.661  2186.11    302.047  2383.31    609.766  62.023  4.5275  60.156  9.6875  1.866558       10.69332  
1 1 1 -28 33  6  o 40.613  5.4219  964.456    232.544  871.992    261.127  1318.81    511.196  37.942  6.5935  43.231  10.916  -5.288895      12.75237  
1 1 1 -28 33  7  f 16.324  6.7625  73.892     195.605  102.442    214.520  -66.9182   476.410  17.450  7.1397  21.009  9.5567  -3.558670      11.92918  
1 1 1 -28 33  8  o 42.929  5.3705  1077.15    244.243  1059.98    275.908  1139.32    525.090  42.059  6.2464  39.240  11.568  2.818672       13.14645  
1 1 1 -28 33  9  o 28.484  1.7540  444.201    53.850   429.659    244.560  444.942    55.205   25.962  7.9502  28.500  1.7976  -2.538544      8.150840  
1 1 1 -28 33  10 o 46.148  5.0970  1237.22    250.515  1029.50    282.722  1996.29    540.456  41.165  6.5612  54.776  9.4510  -13.61093      11.50529  
1 1 1 -28 33  11 o 56.976  4.3624  1850.89    267.161  1871.37    302.503  1778.30    569.567  56.881  4.9597  49.936  10.842  6.945694       11.92228  
1 1 1 -28 33  12 o 40.580  6.2402  998.005    265.491  1109.97    306.978  665.716    528.842  42.330  6.9358  30.167  11.561  12.16360       13.48194  
1 1 1 -28 33  13 o 31.664  7.1596  637.691    239.778  724.254    270.646  321.816    517.005  33.476  7.6338  25.195  10.746  8.280762       13.18120  
1 1 1 -28 33  14 o ?       ?       -248.2008  40.070   641.660    336.607  -260.9919  40.357   30.153  9.3427  ?       ?       0.000000       9.342668  
1 1 1 -28 33  15 o 31.550  8.6356  687.120    303.699  687.120    303.699  0.0000     0.0000   31.550  8.6356  ?       ?       0.000000       8.635570  
1 1 1 -28 33  16 o 22.713  8.8456  315.110    313.300  315.110    313.300  0.0000     0.0000   22.713  8.8456  ?       ?       0.000000       8.845599  
1 1 1 -28 33  17 o 23.506  8.8801  360.320    309.219  360.320    309.219  0.0000     0.0000   23.506  8.8801  ?       ?       0.000000       8.880117  
1 1 1 -28 33  18 o 24.108  9.2505  388.504    338.842  388.504    338.842  0.0000     0.0000   24.108  9.2505  ?       ?       0.000000       9.250495  
1 1 1 -28 34  1  o 12.162  5.5845  -97.3790   167.751  -167.2284  176.806  532.633    530.995  11.566  5.4500  28.959  11.444  -17.39285      12.67563  
1 1 1 -28 34  2  o 37.043  5.2207  800.010    203.654  809.276    217.863  735.836    573.326  37.070  5.6008  32.107  12.101  4.963009       13.33403  
1 1 1 -28 34  3  o 59.000  3.8933  1955.43    247.397  1885.44    272.957  2277.53    585.542  57.642  4.4054  58.954  9.4924  -1.311443      10.46488  
1 1 1 -28 34  4  o 20.357  8.8054  77.311     356.469  -41.3811   497.945  202.083    510.538  21.710  9.8342  24.494  10.566  -2.784248      14.43458  
1 1 1 -28 34  5  o 34.282  6.1387  705.321    219.566  726.166    240.187  599.321    541.631  34.509  6.6674  29.984  11.644  4.524761       13.41745  
1 1 1 -28 34  6  o 27.706  7.3308  482.531    223.399  371.634    250.801  908.464    491.518  24.456  8.1144  35.318  11.336  -10.86151      13.94108  
1 1 1 -28 34  7  o 22.684  7.5120  312.749    214.987  265.178    239.668  508.687    486.406  21.637  7.8828  28.263  11.018  -6.626160      13.54724  
1 1 1 -28 34  8  o 17.732  7.1685  118.315    213.195  24.247     237.801  503.604    481.266  16.601  7.1862  28.123  10.960  -11.52165      13.10611  
1 1 1 -28 34  9  o 23.019  7.6944  324.768    225.397  321.815    253.479  335.923    492.676  23.109  8.1442  25.704  10.697  -2.595404      13.44480  
1 1 1 -28 34  10 o 35.784  5.8662  766.152    219.480  730.408    242.544  927.736    515.692  34.417  6.7477  35.026  11.636  -0.6086235     13.45109  
1 1 1 -28 34  11 o 31.858  7.3271  644.115    247.555  787.622    282.391  167.733    514.507  35.105  7.6436  23.677  10.404  11.42797       12.90965  
1 1 1 -28 34  12 o 23.599  8.1807  349.360    255.189  380.679    296.121  258.980    503.038  24.514  8.7851  24.444  10.517  0.7027435E-01  13.70327  
1 1 1 -28 34  13 o 42.587  6.3036  1106.58    281.978  1185.58    330.753  896.415    539.490  43.308  7.3116  33.446  11.871  9.861980       13.94232  
1 1 1 -28 34  14 o 29.494  8.4619  591.952    284.406  596.708    339.246  580.702    521.718  29.025  9.4280  28.277  11.290  0.7484169      14.70896  
1 1 1 -28 34  15 o 17.719  7.7498  46.851     282.628  46.851     282.628  0.0000     0.0000   17.719  7.7498  ?       ?       0.000000       7.749813  
1 1 1 -28 34  16 f 24.198  8.4648  393.138    273.522  393.138    273.522  0.0000     0.0000   24.198  8.4648  ?       ?       0.000000       8.464826  
1 1 1 -28 34  17 o 26.266  9.4928  492.813    346.571  492.813    346.571  0.0000     0.0000   26.266  9.4928  ?       ?       0.000000       9.492833  
1 1 1 -28 35  1  o 26.250  6.4838  423.196    183.255  374.559    194.406  811.026    548.971  24.571  6.9783  33.188  11.954  -8.616590      13.84204  
1 1 1 -28 35  2  o 26.997  6.8560  451.808    200.849  393.435    214.699  860.965    568.418  25.085  7.3973  33.985  12.172  -8.900051      14.24384  
1 1 1 -28 35  3  o 34.900  5.4687  716.844    199.926  748.915    216.070  525.972    527.116  35.507  5.8201  28.822  11.398  6.684891       12.79831  
1 1 1 -28 35  4  o 83.132  3.2200  3829.74    289.931  3676.60    435.459  3951.67    388.581  80.003  5.0513  83.602  4.3060  -3.598900      6.637547  
1 1 1 -28 35  5  o 25.554  8.2097  413.031    257.742  406.896    294.191  433.292    534.598  25.468  8.7862  27.535  11.269  -2.067038      14.28942  
1 1 1 -28 35  6  o 39.571  5.3378  915.839    222.939  890.479    247.712  1023.95    511.444  38.572  6.1347  37.259  11.512  1.313572       13.04416  
1 1 1 -28 35  7  o 37.701  5.8263  844.044    230.236  802.201    257.594  1010.24    513.382  36.168  6.8259  36.947  11.553  -0.7784233     13.41867  
1 1 1 -28 35  8  o 36.827  5.9721  810.749    230.057  841.278    257.705  690.935    510.532  37.128  6.6528  31.128  11.480  5.999508       13.26829  
1 1 1 -28 35  9  o 23.994  7.0525  358.852    195.430  415.848    231.614  217.975    364.134  25.579  7.7165  22.395  9.2481  3.183460       12.04457  
1 1 1 -28 35  10 o 17.663  7.1733  117.218    214.528  102.542    238.697  178.877    489.265  17.954  7.4568  23.566  10.254  -5.611454      12.67903  
1 1 1 -28 35  11 o 39.456  6.1305  939.873    253.480  840.545    288.641  1274.68    529.933  36.313  7.5835  41.074  11.471  -4.760880      13.75138  
1 1 1 -28 35  12 o 47.224  4.8763  1295.79    245.829  1268.53    275.270  1403.15    546.327  46.226  5.6131  42.927  11.513  3.299561       12.80857  
1 1 1 -28 35  13 o 71.726  3.2475  2869.95    252.288  3452.03    414.832  2528.29    317.821  77.011  5.0004  66.356  4.4479  10.65546       6.692375  
1 1 1 -28 35  14 o 20.542  8.2136  214.175    276.546  214.175    276.546  0.0000     0.0000   20.542  8.2136  ?       ?       0.000000       8.213552  
1 1 1 -28 35  15 o 25.115  8.4255  424.988    270.275  424.988    270.275  0.0000     0.0000   25.115  8.4255  ?       ?       0.000000       8.425528  
1 1 1 -28 35  16 o 41.009  7.5707  1099.45    323.879  1099.45    323.879  0.0000     0.0000   41.009  7.5707  ?       ?       0.000000       7.570708  
1 1 1 -28 35  17 o 16.900  7.4858  16.911     271.554  16.911     271.554  0.0000     0.0000   16.900  7.4858  ?       ?       0.000000       7.485779  
1 1 1 -28 36  1  o 27.723  6.2738  468.943    183.989  431.982    194.879  772.202    558.212  26.392  6.7811  32.453  11.997  -6.061510      13.78080  
1 1 1 -28 36  2  o 60.172  3.7086  2029.36    240.520  2036.58    260.084  1986.69    632.100  60.104  4.0184  52.735  11.399  7.368916       12.08650  
1 1 1 -28 36  3  o 31.043  5.9304  578.310    192.129  551.735    221.248  659.809    387.447  29.795  6.9785  31.013  10.076  -1.218395      12.25640  
1 1 1 -28 36  4  o 21.525  7.2444  275.485    199.816  268.280    216.486  316.934    519.254  21.469  7.5296  25.871  10.889  -4.401371      13.23868  
1 1 1 -28 36  5  o 34.022  7.7013  732.826    277.175  770.422    322.457  626.451    542.398  34.276  8.6775  30.271  11.681  4.005629       14.55109  
1 1 1 -28 36  6  o 26.959  7.2295  456.111    215.436  465.872    239.740  415.159    491.057  27.056  7.7710  26.905  10.879  0.1514053      13.36900  
1 1 1 -28 36  7  f 24.447  7.3529  373.685    210.535  355.892    232.786  453.638    493.460  23.931  7.8116  27.409  10.967  -3.478224      13.46483  
1 1 1 -28 36  8  o 18.841  7.1631  177.399    202.002  177.481    222.142  177.009    485.505  19.229  7.4597  23.640  10.251  -4.411352      12.67772  
1 1 1 -28 36  9  o 36.873  5.4952  803.475    212.757  749.428    233.113  1073.02    520.591  35.107  6.3650  37.712  11.608  -2.605633      13.23835  
1 1 1 -28 36  10 o 36.454  6.3440  808.881    241.386  922.109    272.151  391.295    522.644  38.715  6.7347  26.435  11.011  12.28064       12.90732  
1 1 1 -28 36  11 o 66.532  3.8893  2499.40    279.052  2628.00    314.442  2022.64    605.448  67.926  4.2962  53.046  10.902  14.87939       11.71824  
1 1 1 -28 36  12 f 32.881  7.5831  697.833    264.545  675.598    305.576  764.353    528.543  31.591  8.6686  31.470  11.666  0.1214409      14.53388  
1 1 1 -28 36  13 o 28.831  7.7840  547.495    248.751  450.010    281.932  890.061    528.502  25.933  8.6032  33.267  11.756  -7.333523      14.56773  
1 1 1 -28 36  14 o 25.142  8.9980  423.359    310.549  423.359    310.549  0.0000     0.0000   25.142  8.9980  ?       ?       0.000000       8.997998  
1 1 1 -28 36  15 o 36.494  8.0681  891.346    310.429  891.346    310.429  0.0000     0.0000   36.494  8.0681  ?       ?       0.000000       8.068068  
1 1 1 -28 36  16 f 20.183  8.0796  211.728    267.957  211.728    267.957  0.0000     0.0000   20.183  8.0796  ?       ?       0.000000       8.079617  
1 1 1 -28 36  17 o 14.580  6.9041  -221.6169  290.228  -221.6169  290.228  0.0000     0.0000   14.580  6.9041  ?       ?       0.000000       6.904110  
1 1 1 -28 37  1  o 22.049  6.8079  296.144    178.911  286.418    189.217  378.204    549.608  21.773  7.0384  26.876  11.251  -5.102949      13.27135  
1 1 1 -28 37  2  o 39.674  4.7583  907.176    200.390  913.423    213.353  860.405    583.786  39.646  5.0857  33.799  12.304  5.847343       13.31396  
1 1 1 -28 37  3  o 25.343  6.9352  399.214    195.901  446.765    209.856  76.933     546.332  26.727  7.1211  23.543  10.512  3.183290       12.69664  
1 1 1 -28 37  4  o 19.256  7.1723  193.262    200.259  125.532    216.992  582.301    520.056  17.996  7.2473  29.545  11.427  -11.54808      13.53147  
1 1 1 -28 37  5  o 33.907  7.1814  715.678    255.525  742.339    289.269  620.988    545.152  34.056  7.9814  30.158  11.690  3.897907       14.15459  
1 1 1 -28 37  6  o 20.855  7.2536  252.726    200.706  221.707    220.825  400.068    481.274  20.291  7.5367  26.554  10.758  -6.263226      13.13535  
1 1 1 -28 37  7  o 18.786  7.1385  175.977    200.558  170.877    220.760  200.081    479.911  19.058  7.4244  23.858  10.268  -4.800011      12.67130  
1 1 1 -28 37  8  o 59.503  3.9108  1995.63    250.639  1899.40    278.706  2402.52    573.093  57.684  4.4964  60.671  8.9934  -2.987328      10.05481  
1 1 1 -28 37  9  o 21.731  7.2620  286.090    200.771  210.411    219.462  674.468    497.165  19.903  7.4896  30.611  11.321  -10.70753      13.57398  
1 1 1 -28 37  10 o 44.727  5.2426  1171.68    249.154  1348.86    280.429  507.618    542.909  47.839  5.5131  28.044  11.403  19.79502       12.66559  
1 1 1 -28 37  11 o 16.794  7.0728  72.079     219.284  169.474    244.116  -334.9098  499.020  19.311  7.7185  18.857  8.9651  0.4536877      11.82992  
1 1 1 -28 37  12 o 24.918  8.1553  405.206    253.654  383.173    291.615  473.692    514.135  24.414  8.7213  27.029  11.055  -2.614466      14.08120  
1 1 1 -28 37  13 o 22.511  8.6819  296.944    299.539  296.944    299.539  0.0000     0.0000   22.511  8.6819  ?       ?       0.000000       8.681949  
1 1 1 -28 37  14 o 20.900  8.2216  237.126    272.877  237.126    272.877  0.0000     0.0000   20.900  8.2216  ?       ?       0.000000       8.221579  
1 1 1 -28 37  15 o 39.673  7.0498  1005.09    291.834  1005.09    291.834  0.0000     0.0000   39.673  7.0498  ?       ?       0.000000       7.049832  
1 1 1 -28 37  16 o 23.534  8.7725  360.361    299.705  360.361    299.705  0.0000     0.0000   23.534  8.7725  ?       ?       0.000000       8.772539  
1 1 1 -28 38  1  o 35.184  9.1924  830.902    354.161  666.289    451.241  1094.97    571.529  30.798  10.865  37.684  12.237  -6.885855      16.36444  
1 1 1 -28 38  2  o 20.125  6.7656  236.957    174.273  254.673    183.442  72.899     558.226  20.752  6.9414  23.617  10.579  -2.865513      12.65319  
1 1 1 -28 38  3  o 44.509  4.3378  1128.64    206.459  1063.11    220.797  1584.65    582.420  42.935  4.8320  46.586  11.590  -3.650745      12.55700  
1 1 1 -28 38  4  o 34.642  5.5748  710.133    202.078  667.203    217.831  975.154    541.228  33.189  6.2901  35.942  11.920  -2.753510      13.47769  
1 1 1 -28 38  5  o 18.606  7.5954  127.781    242.094  166.078    272.249  -16.9386   529.230  19.987  8.0935  22.324  10.123  -2.337223      12.96076  
1 1 1 -28 38  6  o 14.602  6.6786  -105.5620  236.698  -154.9419  268.969  63.976     498.380  15.033  6.9628  22.606  10.070  -7.572304      12.24298  
1 1 1 -28 38  7  f 23.363  7.9321  335.593    239.572  207.286    274.216  749.316    492.404  20.786  8.2209  32.082  11.346  -11.29688      14.01154  
1 1 1 -28 38  8  o 14.500  6.4126  -23.3209   198.490  31.712     217.993  -290.2573  480.103  16.092  6.9233  18.989  8.9575  -2.896830      11.32117  
1 1 1 -28 38  9  o 24.764  7.0874  386.311    199.741  457.524    217.460  1.9761     505.191  26.823  7.2931  21.880  9.9090  4.942844       12.30359  
1 1 1 -28 38  10 o 24.109  7.5669  368.624    220.011  316.411    243.652  599.190    512.008  22.746  7.9875  29.195  11.325  -6.449558      13.85868  
1 1 1 -28 38  11 o 25.004  7.9551  404.866    242.453  586.945    275.434  -221.7868  510.976  29.713  8.2601  19.870  9.3320  9.842737       12.46259  
1 1 1 -28 38  12 o 15.790  6.9138  10.045     225.481  10.045     225.481  0.0000     0.0000   15.790  6.9138  ?       ?       0.000000       6.913786  
1 1 1 -28 38  13 o 20.455  8.0754  217.755    264.152  217.755    264.152  0.0000     0.0000   20.455  8.0754  ?       ?       0.000000       8.075445  
1 1 1 -28 38  14 o 26.302  8.5820  472.542    280.972  472.542    280.972  0.0000     0.0000   26.302  8.5820  ?       ?       0.000000       8.581964  
1 1 1 -28 38  15 o 13.580  6.4836  -258.2271  266.806  -258.2271  266.806  0.0000     0.0000   13.580  6.4836  ?       ?       0.000000       6.483643  
1 1 1 -28 38  16 o 26.946  8.6347  505.603    285.258  505.603    285.258  0.0000     0.0000   26.946  8.6347  ?       ?       0.000000       8.634743  
1 1 1 -28 39  1  o 28.193  9.5625  529.209    348.180  455.633    444.903  645.486    559.300  27.082  10.543  30.406  11.825  -3.323713      15.84248  
1 1 1 -28 39  2  o 39.990  8.6838  1044.60    365.349  927.125    463.043  1238.36    594.670  35.801  10.935  39.911  12.426  -4.109150      16.55291  
1 1 1 -28 39  3  o 50.463  3.9169  1436.15    212.406  1357.22    227.532  1971.29    592.453  48.826  4.3480  53.277  10.639  -4.451443      11.49359  
1 1 1 -28 39  4  o 47.399  4.3901  1280.80    222.822  1276.73    241.984  1303.49    571.344  47.090  4.8120  41.496  12.019  5.594757       12.94679  
1 1 1 -28 39  5  o 37.692  4.8902  823.690    194.934  796.700    208.194  1015.55    555.089  36.814  5.3802  36.429  12.071  0.3852348      13.21580  
1 1 1 -28 39  6  o 24.972  7.9305  394.914    241.041  603.210    272.514  -353.8464  516.677  30.493  8.1103  19.292  9.1572  11.20095       12.23235  
1 1 1 -28 39  7  o 16.103  6.6458  77.041     187.882  97.303     203.770  -37.8972   485.330  16.988  6.9554  21.277  9.6660  -4.289379      11.90837  
1 1 1 -28 39  8  o 29.241  1.5823  467.283    49.927   349.340    223.237  473.493    51.225   23.612  7.6462  29.430  1.6132  -5.818111      7.814547  
1 1 1 -28 39  9  f 35.593  6.1166  766.483    227.300  721.345    252.026  963.248    526.198  33.917  7.0888  35.327  11.755  -1.409821      13.72698  
1 1 1 -28 39  10 o 22.881  7.8435  324.815    234.276  275.584    263.738  508.975    510.092  21.913  8.2173  27.775  11.137  -5.862339      13.84075  
1 1 1 -28 39  11 o 14.325  6.4385  -49.2647   208.639  -66.8660   230.019  32.432     495.557  14.769  6.6877  21.758  9.8374  -6.988467      11.89541  
1 1 1 -28 39  12 o 21.797  8.0856  282.066    253.999  282.066    253.999  0.0000     0.0000   21.797  8.0856  ?       ?       0.000000       8.085647  
1 1 1 -28 39  13 o 16.260  7.2432  -13.8482   257.811  -13.8482   257.811  0.0000     0.0000   16.260  7.2432  ?       ?       0.000000       7.243175  
1 1 1 -28 39  14 o 28.020  8.6350  544.123    287.988  544.123    287.988  0.0000     0.0000   28.020  8.6350  ?       ?       0.000000       8.634992  
1 1 1 -28 39  15 o 23.923  8.7629  376.226    296.754  376.226    296.754  0.0000     0.0000   23.923  8.7629  ?       ?       0.000000       8.762943  
1 1 1 -28 39  16 o 18.329  7.9956  70.009     299.074  70.009     299.074  0.0000     0.0000   18.329  7.9956  ?       ?       0.000000       7.995580  
1 1 1 -28 40  1  o 23.163  9.2003  280.481    344.800  611.242    439.008  -252.0571  557.046  29.686  10.691  20.752  9.7452  8.934793       14.46571  
1 1 1 -28 40  2  o 39.257  8.8054  1015.06    365.181  995.844    463.823  1046.40    592.312  37.112  10.852  36.507  12.472  0.6060028      16.53249  
1 1 1 -28 40  3  o 20.113  8.6197  99.917     335.593  120.722    414.659  60.416     571.355  21.854  9.4749  23.605  10.628  -1.750210      14.23798  
1 1 1 -28 40  4  o 34.537  5.3482  702.558    193.596  749.146    207.245  383.401    542.434  35.574  5.5609  26.743  11.185  8.830914       12.49109  
1 1 1 -28 40  5  o 24.735  6.9697  382.026    194.723  371.748    208.673  451.278    541.668  24.352  7.3195  27.584  11.322  -3.231693      13.48218  
1 1 1 -28 40  6  o 32.284  1.3959  567.096    48.811   184.827    305.122  577.136    49.448   20.865  8.5234  32.567  1.4018  -11.70265      8.637860  
1 1 1 -28 40  7  o 27.954  6.7880  487.866    203.467  492.935    222.468  461.941    503.146  27.866  7.2879  27.325  11.024  0.5415039      13.21562  
1 1 1 -28 40  8  f 59.315  3.9162  1986.60    250.177  1972.41    277.613  2047.93    577.160  58.796  4.3910  54.481  10.154  4.314514       11.06318  
1 1 1 -28 40  9  o 41.892  5.1664  1027.99    229.447  978.789    253.336  1252.59    541.254  40.370  5.9743  40.396  11.698  -0.2613449E-01 13.13514  
1 1 1 -28 40  10 o 36.757  6.1150  820.413    234.898  801.288    261.556  900.144    534.050  35.735  7.0082  33.776  11.827  1.958611       13.74777  
1 1 1 -28 40  11 o 27.086  8.5428  492.438    280.068  492.438    280.068  0.0000     0.0000   27.086  8.5428  ?       ?       0.000000       8.542787  
1 1 1 -28 40  12 o 21.634  8.1793  272.446    262.467  272.446    262.467  0.0000     0.0000   21.634  8.1793  ?       ?       0.000000       8.179268  
1 1 1 -28 40  13 o 20.768  8.4470  211.220    298.043  211.220    298.043  0.0000     0.0000   20.768  8.4470  ?       ?       0.000000       8.447043  
1 1 1 -28 40  14 f 19.324  7.9855  159.834    271.778  159.834    271.778  0.0000     0.0000   19.324  7.9855  ?       ?       0.000000       7.985452  
1 1 1 -28 40  15 o 35.244  7.7112  820.059    286.176  820.059    286.176  0.0000     0.0000   35.244  7.7112  ?       ?       0.000000       7.711215  
1 1 1 -28 41  1  o 54.927  2.8088  1669.53    166.541  1674.37    173.020  1608.46    614.339  54.961  2.9170  45.896  12.163  9.064568       12.50771  
1 1 1 -28 41  2  o 50.814  7.2535  1595.39    387.879  1679.48    498.926  1466.93    616.688  50.015  9.5585  43.366  12.466  6.649742       15.70870  
1 1 1 -28 41  3  o 40.672  8.6507  1082.65    369.364  1023.64    463.955  1184.79    610.382  37.621  10.812  38.552  12.652  -0.9307747     16.64275  
1 1 1 -28 41  4  o 25.592  9.3153  412.039    334.588  184.043    429.405  764.386    533.813  22.857  9.7718  32.126  11.755  -9.269840      15.28635  
1 1 1 -28 41  5  o 17.834  7.4567  92.556     240.979  95.533     270.573  81.136     529.929  18.595  7.8451  23.124  10.336  -4.529409      12.97646  
1 1 1 -28 41  6  o 20.578  7.8261  224.995    241.185  205.230    269.684  303.964    539.059  20.603  8.1514  25.588  10.944  -4.984777      13.64636  
1 1 1 -28 41  7  o 22.431  7.3250  309.894    204.676  332.660    224.578  198.252    497.324  23.146  7.6784  23.858  10.360  -0.7126045     12.89525  
1 1 1 -28 41  8  o 16.792  7.0287  76.827     214.443  76.827     214.443  0.0000     0.0000   16.792  7.0287  ?       ?       0.000000       7.028655  
1 1 1 -28 41  9  o 26.242  7.6976  445.414    233.025  458.025    261.206  396.245    515.755  26.421  8.2372  26.257  10.938  0.1635227      13.69254  
1 1 1 -28 41  10 o 23.564  8.3618  348.893    267.645  348.893    267.645  0.0000     0.0000   23.564  8.3618  ?       ?       0.000000       8.361830  
1 1 1 -28 41  11 o 16.686  7.1876  46.774     235.556  46.774     235.556  0.0000     0.0000   16.686  7.1876  ?       ?       0.000000       7.187591  
1 1 1 -28 41  12 o 46.232  6.7169  1327.52    326.502  1327.52    326.502  0.0000     0.0000   46.232  6.7169  ?       ?       0.000000       6.716895  
1 1 1 -28 41  13 o 22.039  8.3310  292.138    272.266  292.138    272.266  0.0000     0.0000   22.039  8.3310  ?       ?       0.000000       8.331021  
1 1 1 -28 41  14 o 15.673  7.2739  -137.4375  295.762  -137.4375  295.762  0.0000     0.0000   15.673  7.2739  ?       ?       0.000000       7.273891  
1 1 1 -28 41  15 o 29.250  8.7986  601.106    301.445  601.106    301.445  0.0000     0.0000   29.250  8.7986  ?       ?       0.000000       8.798597  
1 1 1 -28 42  1  o 44.526  8.1769  1275.21    379.807  1371.21    493.009  1135.05    595.702  43.964  10.498  37.624  12.507  6.340183       16.32884  
1 1 1 -28 42  2  o 34.121  8.2113  759.438    299.790  663.243    347.835  1037.29    591.157  31.080  9.4745  36.087  12.454  -5.007555      15.64864  
1 1 1 -28 42  3  o 23.877  9.2808  324.131    344.364  646.164    427.227  -273.1584  581.837  30.249  10.579  20.943  9.8738  9.306400       14.47111  
1 1 1 -28 42  4  o 45.344  7.7209  1298.14    365.603  1140.92    476.219  1523.81    570.554  39.688  10.793  45.230  11.593  -5.541286      15.83953  
1 1 1 -28 42  5  o 45.241  8.6486  1337.52    408.342  1462.46    570.641  1206.41    584.577  44.061  11.744  39.088  12.344  4.972851       17.03787  
1 1 1 -28 42  6  o 20.366  9.0810  20.239     406.277  289.382    627.430  -174.0904  533.142  26.239  11.510  20.832  9.7011  5.407227       15.05290  
1 1 1 -28 42  7  o 21.111  7.8498  250.470    239.680  274.510    273.003  169.631    500.612  22.055  8.3411  23.517  10.299  -1.461241      13.25320  
1 1 1 -28 42  8  o 19.662  7.5328  200.167    224.472  170.483    250.897  319.234    502.499  19.482  7.8114  25.215  10.668  -5.732903      13.22169  
1 1 1 -28 42  9  o 27.902  7.5179  503.455    232.313  453.375    260.000  701.746    517.357  26.250  8.2238  30.560  11.499  -4.310434      14.13742  
1 1 1 -28 42  10 o 23.084  8.3102  330.759    265.260  330.759    265.260  0.0000     0.0000   23.084  8.3102  ?       ?       0.000000       8.310247  
1 1 1 -28 42  11 o 27.329  8.0914  497.516    256.436  497.516    256.436  0.0000     0.0000   27.329  8.0914  ?       ?       0.000000       8.091424  
1 1 1 -28 42  12 o 29.273  8.2149  578.136    271.085  578.136    271.085  0.0000     0.0000   29.273  8.2149  ?       ?       0.000000       8.214933  
1 1 1 -28 42  13 o 16.616  7.3173  17.239     255.790  17.239     255.790  0.0000     0.0000   16.616  7.3173  ?       ?       0.000000       7.317284  
1 1 1 -28 42  14 o 15.727  7.1594  -69.4230   268.039  -69.4230   268.039  0.0000     0.0000   15.727  7.1594  ?       ?       0.000000       7.159405  
1 1 1 -28 42  15 o 31.709  9.1317  717.133    330.648  717.133    330.648  0.0000     0.0000   31.709  9.1317  ?       ?       0.000000       9.131678  
1 1 1 -28 43  1  o 23.210  9.2347  287.863    347.935  576.929    443.445  -175.1149  561.206  28.869  10.689  21.267  9.9201  7.601549       14.58270  
1 1 1 -28 43  2  o 39.756  8.8418  1049.49    370.880  883.589    473.084  1314.06    597.414  34.488  11.127  40.732  12.417  -6.243771      16.67290  
1 1 1 -28 43  3  o 17.386  7.9501  -104.7555  335.191  -153.1156  414.193  -12.9784   570.592  18.729  8.6626  22.771  10.397  -4.042004      13.53304  
1 1 1 -28 43  4  o 42.183  8.2264  1149.15    362.351  1178.75    470.315  1105.92    568.385  40.535  10.594  37.485  12.205  3.050270       16.16166  
1 1 1 -28 43  5  o 27.594  9.9702  510.249    382.264  967.323    531.188  19.267     550.538  35.407  11.812  22.737  10.316  12.67016       15.68254  
1 1 1 -28 43  6  o 40.884  9.2691  1131.62    400.993  1244.11    555.655  1009.36    579.260  40.068  11.922  35.566  12.325  4.501854       17.14766  
1 1 1 -28 43  7  o 8.9533  2.9511  42.612     33.193   0.0000     0.0000   42.612     33.193   ?       ?       8.9533  2.9511  0.000000       2.951089  
1 1 1 -28 43  8  o 17.890  8.5914  -427.1486  483.636  0.0000     0.0000   -427.1486  483.636  ?       ?       17.890  8.5914  0.000000       8.591424  
1 1 1 -28 43  9  o 18.394  7.5410  130.850    239.917  130.850    239.917  0.0000     0.0000   18.394  7.5410  ?       ?       0.000000       7.540976  
1 1 1 -28 43  10 o 22.012  7.8310  296.089    234.884  296.089    234.884  0.0000     0.0000   22.012  7.8310  ?       ?       0.000000       7.830979  
1 1 1 -28 43  11 f 40.589  7.0851  1040.14    300.143  1040.14    300.143  0.0000     0.0000   40.589  7.0851  ?       ?       0.000000       7.085149  
1 1 1 -28 43  12 o 19.016  7.7313  160.748    249.542  160.748    249.542  0.0000     0.0000   19.016  7.7313  ?       ?       0.000000       7.731261  
1 1 1 -28 43  13 o 30.420  8.3217  631.013    282.112  631.013    282.112  0.0000     0.0000   30.420  8.3217  ?       ?       0.000000       8.321653  
1 1 1 -28 43  14 o 43.666  6.8186  1198.71    311.942  1198.71    311.942  0.0000     0.0000   43.666  6.8186  ?       ?       0.000000       6.818581  
1 1 1 -28 44  1  o 47.253  7.8721  1422.32    388.721  1644.99    504.153  1095.85    610.440  48.892  9.8606  36.593  12.654  12.29902       16.04264  
1 1 1 -28 44  2  o 31.547  9.6589  692.950    361.005  802.623    459.515  516.118    583.483  32.946  10.986  28.342  11.705  4.604443       16.05330  
1 1 1 -28 44  3  o 21.194  8.8910  170.112    344.329  100.132    427.417  299.504    581.190  21.640  9.4959  25.841  11.210  -4.201483      14.69158  
1 1 1 -28 44  4  o 36.717  8.9756  907.377    353.946  858.119    458.455  980.059    556.893  34.055  10.950  35.290  12.093  -1.235859      16.31403  
1 1 1 -28 44  5  o 29.267  11.674  596.106    557.312  0.0000     0.0000   596.106    557.312  ?       ?       29.267  11.674  0.000000       11.67401  
1 1 1 -28 44  6  o 24.616  10.777  226.761    547.767  0.0000     0.0000   226.761    547.767  ?       ?       24.616  10.777  0.000000       10.77718  
1 1 1 -28 44  7  o 20.023  9.3088  -154.3300  487.616  0.0000     0.0000   -154.3300  487.616  ?       ?       20.023  9.3088  0.000000       9.308825  
1 1 1 -28 44  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 44  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 44  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 44  11 o 31.849  10.114  748.744    392.039  748.744    392.039  0.0000     0.0000   31.849  10.114  ?       ?       0.000000       10.11391  
1 1 1 -28 44  12 o 24.328  8.5972  390.554    282.645  390.554    282.645  0.0000     0.0000   24.328  8.5972  ?       ?       0.000000       8.597230  
1 1 1 -28 44  13 o 32.621  8.5037  728.965    303.525  728.965    303.525  0.0000     0.0000   32.621  8.5037  ?       ?       0.000000       8.503671  
1 1 1 -28 44  14 o 15.379  7.1391  -138.1864  285.100  -138.1864  285.100  0.0000     0.0000   15.379  7.1391  ?       ?       0.000000       7.139132  
1 1 1 -28 45  1  o 23.398  9.2631  304.607    348.468  360.061    446.871  218.567    556.627  25.219  10.310  24.581  10.810  0.6382008      14.93855  
1 1 1 -28 45  2  o 24.804  9.4592  377.635    352.941  265.759    444.084  569.478    581.525  23.905  10.066  28.890  11.780  -4.985365      15.49518  
1 1 1 -28 45  3  o 28.519  11.780  535.982    591.034  0.0000     0.0000   535.982    591.034  ?       ?       28.519  11.780  0.000000       11.77989  
1 1 1 -28 45  4  o 19.587  9.2507  -279.6086  514.870  0.0000     0.0000   -279.6086  514.870  ?       ?       19.587  9.2507  0.000000       9.250666  
1 1 1 -28 45  5  o 33.254  12.135  876.705    568.337  0.0000     0.0000   876.705    568.337  ?       ?       33.254  12.135  0.000000       12.13520  
1 1 1 -28 45  6  o 36.478  2.1275  731.732    83.691   0.0000     0.0000   731.732    83.691   ?       ?       36.478  2.1275  0.000000       2.127481  
1 1 1 -28 45  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 45  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  1  o 25.480  11.042  304.847    562.670  0.0000     0.0000   304.847    562.670  ?       ?       25.480  11.042  0.000000       11.04198  
1 1 1 -28 46  2  o 27.487  11.521  467.870    577.382  0.0000     0.0000   467.870    577.382  ?       ?       27.487  11.521  0.000000       11.52111  
1 1 1 -28 46  3  o 30.273  12.041  681.470    591.296  0.0000     0.0000   681.470    591.296  ?       ?       30.273  12.041  0.000000       12.04061  
1 1 1 -28 46  4  o 17.706  8.1680  -132.2089  364.737  0.0000     0.0000   -132.2089  364.737  ?       ?       17.706  8.1680  0.000000       8.167979  
1 1 1 -28 46  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 46  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  1  o 20.343  9.5702  -222.9301  541.209  0.0000     0.0000   -222.9301  541.209  ?       ?       20.343  9.5702  0.000000       9.570180  
1 1 1 -28 47  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 47  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 48  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 49  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 50  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 51  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 52  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 53  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 54  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 55  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 55  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 55  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -28 55  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 0   1  f 20.538  10.527  354.049    297.163  354.049    297.163  354.049    297.163  20.538  10.527  20.538  10.527  -0.000000      0.000000  
1 1 1 -27 0   2  f 36.665  8.8762  865.073    305.531  865.073    305.531  865.073    305.531  36.665  8.8762  36.665  8.8762  0.000000       0.000000  
1 1 1 -27 0   3  o 45.917  8.1097  1273.19    365.772  1273.19    365.772  1273.19    365.772  45.917  8.1097  45.917  8.1097  -0.000000      0.000000  
1 1 1 -27 0   4  o 18.917  10.369  290.104    304.814  290.104    304.814  290.104    304.814  18.917  10.369  18.917  10.369  0.000000       0.000000  
1 1 1 -27 0   5  o 50.063  6.2567  1443.73    324.930  1443.73    324.930  1443.73    324.930  50.063  6.2567  50.063  6.2567  -0.000000      0.000000  
1 1 1 -27 0   6  o 109.382 4.6013  6581.85    542.937  6581.85    542.937  6581.85    542.937  109.382 4.6013  109.382 4.6013  -0.000000      0.000000  
1 1 1 -27 0   7  o 21.120  10.643  375.996    300.796  375.996    300.796  375.996    300.796  21.120  10.643  21.120  10.643  0.000000       0.000000  
1 1 1 -27 0   8  o 29.858  11.122  676.046    334.747  676.046    334.747  676.046    334.747  29.858  11.122  29.858  11.122  -0.000000      0.000000  
1 1 1 -27 0   9  o 46.423  7.5528  1287.10    349.592  1287.10    349.592  1287.10    349.592  46.423  7.5528  46.423  7.5528  0.000000       0.000000  
1 1 1 -27 0   10 o 59.161  5.6580  1980.70    354.936  1980.70    354.936  1980.70    354.936  59.161  5.6580  59.161  5.6580  -0.000000      0.000000  
1 1 1 -27 0   11 o 59.997  5.8555  2042.92    372.183  2042.92    372.183  2042.92    372.183  59.997  5.8555  59.997  5.8555  0.000000       0.000000  
1 1 1 -27 0   12 o 13.808  8.7169  62.734     277.543  62.734     277.543  62.734     277.543  13.808  8.7169  13.808  8.7169  -0.000000      0.000000  
1 1 1 -27 0   13 o 12.442  8.0206  15.999     250.230  15.999     250.230  15.999     250.230  12.442  8.0206  12.442  8.0206  -0.000000      0.000000  
1 1 1 -27 0   14 o 31.243  10.025  700.133    299.276  700.133    299.276  700.133    299.276  31.243  10.025  31.243  10.025  0.000000       0.000000  
1 1 1 -27 0   15 o 34.663  9.7994  828.598    318.611  828.598    318.611  828.598    318.611  34.663  9.7994  34.663  9.7994  0.000000       0.000000  
1 1 1 -27 0   16 o 45.140  7.6472  1248.53    341.664  1248.53    341.664  1248.53    341.664  45.140  7.6472  45.140  7.6472  -0.000000      0.000000  
1 1 1 -27 0   17 o 36.246  9.9304  916.256    337.068  916.256    337.068  916.256    337.068  36.246  9.9304  36.246  9.9304  -0.000000      0.000000  
1 1 1 -27 0   18 o 19.088  10.497  330.865    313.584  330.865    313.584  330.865    313.584  19.088  10.497  19.088  10.497  0.000000       0.000000  
1 1 1 -27 0   19 o 15.884  9.6909  179.805    315.101  179.805    315.101  179.805    315.101  15.884  9.6909  15.884  9.6909  0.000000       0.000000  
1 1 1 -27 0   20 o 56.551  6.3750  1896.04    377.698  1896.04    377.698  1896.04    377.698  56.551  6.3750  56.551  6.3750  -0.000000      0.000000  
1 1 1 -27 0   21 o 13.466  8.8179  29.405     319.473  29.405     319.473  29.405     319.473  13.466  8.8179  13.466  8.8179  -0.000000      0.000000  
1 1 1 -27 0   22 o 11.454  7.8977  -163.5204  326.581  -163.5204  326.581  -163.5204  326.581  11.454  7.8977  11.454  7.8977  0.000000       0.000000  
1 1 1 -27 0   23 o 16.099  9.9890  197.988    348.248  197.988    348.248  197.988    348.248  16.099  9.9890  16.099  9.9890  -0.000000      0.000000  
1 1 1 -27 1   1  f 23.195  7.1911  307.500    199.389  304.526    295.607  309.983    270.077  24.309  8.7700  24.068  8.4118  0.2412319      12.15199  
1 1 1 -27 1   2  o 23.785  7.0359  327.389    193.960  414.905    262.215  221.646    288.229  26.688  8.2421  22.395  8.5463  4.292696       11.87311  
1 1 1 -27 1   3  o 18.740  7.3642  128.414    218.724  181.892    325.197  84.238     295.567  22.398  8.9228  19.959  8.2941  2.439354       12.18229  
1 1 1 -27 1   4  o 50.679  4.3549  1426.47    236.719  1311.51    346.155  1527.45    324.441  47.691  6.9020  51.945  5.8696  -4.253033      9.060372  
1 1 1 -27 1   5  f 51.022  4.4673  1447.85    244.387  1408.16    343.375  1488.60    347.901  49.578  6.5552  51.044  6.4358  -1.465557      9.186450  
1 1 1 -27 1   6  o 31.868  7.1455  598.694    240.548  716.771    359.535  503.005    323.659  34.299  9.3992  29.185  9.1808  5.114321       13.13894  
1 1 1 -27 1   7  o 16.101  6.9111  4.1714     216.333  109.901    303.272  -105.3630  308.681  20.564  8.4600  17.487  7.8475  3.077131       11.53933  
1 1 1 -27 1   8  o 62.767  4.0278  2178.52    272.373  1758.51    395.893  2556.01    375.316  55.320  6.7471  67.573  5.1673  -12.25264      8.498452  
1 1 1 -27 1   9  o 68.952  3.7616  2622.48    279.867  2825.01    388.898  2404.91    403.066  71.048  5.0874  65.224  5.7650  5.824486       7.688729  
1 1 1 -27 1   10 o 96.468  3.2940  5103.13    344.174  4886.49    476.254  5339.94    497.942  93.802  4.6876  98.058  4.6884  -4.255379      6.629881  
1 1 1 -27 1   11 o 38.172  5.5956  833.855    224.473  876.320    316.271  790.749    318.648  38.228  7.8998  36.106  8.3194  2.122356       11.47248  
1 1 1 -27 1   12 o 16.066  6.7323  41.317     197.064  5.5359     283.954  74.563     273.709  18.176  7.8604  19.025  7.9501  -0.8483334     11.17990  
1 1 1 -27 1   13 o 39.660  5.2337  896.706    219.328  888.600    256.267  918.903    424.056  39.071  6.2676  37.940  10.129  1.131561       11.91164  
1 1 1 -27 1   14 o 40.524  5.1049  936.651    219.095  718.170    311.694  1150.03    308.033  34.007  8.4889  44.260  6.6298  -10.25273      10.77100  
1 1 1 -27 1   15 o 14.862  6.6088  -47.9187   213.637  -273.5054  314.657  145.004    290.986  15.457  7.2794  20.400  8.3274  -4.942669      11.06052  
1 1 1 -27 1   16 o 65.437  3.8360  2395.28    270.686  2198.70    380.671  2596.33    384.980  61.455  5.7872  67.158  5.3366  -5.703754      7.872190  
1 1 1 -27 1   17 o 60.124  4.1201  2045.22    266.686  2041.66    376.152  2048.82    378.157  58.704  6.0003  58.788  6.0240  -0.8412170E-01 8.502490  
1 1 1 -27 1   18 o 26.570  7.7298  455.217    235.845  659.175    346.908  279.933    321.599  30.900  9.4697  22.728  8.9303  8.172087       13.01637  
1 1 1 -27 1   19 o 40.275  5.6844  970.089    241.070  1138.03    341.282  802.848    340.568  42.072  7.7759  34.170  9.0563  7.902107       11.93655  
1 1 1 -27 1   20 o 18.248  7.4613  136.367    234.101  484.037    344.512  -161.8790  319.087  26.465  9.4766  16.097  7.4990  10.36781       12.08476  
1 1 1 -27 1   21 o 42.604  5.5342  1094.70    249.339  1011.02    351.171  1179.77    354.085  38.206  8.6833  42.002  8.0768  -3.796108      11.85894  
1 1 1 -27 1   22 o 15.712  6.9311  15.207     230.467  49.326     330.038  -17.2652   321.971  18.446  8.2076  17.457  7.9078  0.9887810      11.39733  
1 1 1 -27 1   23 o 20.795  7.8886  268.005    244.662  183.854    341.700  356.533    350.475  20.358  8.7106  23.203  9.2569  -2.845324      12.71078  
1 1 1 -27 2   1  o 52.694  4.3457  1541.50    245.812  1548.96    333.806  1532.65    363.329  52.253  6.0074  51.720  6.6393  0.5331688      8.953704  
1 1 1 -27 2   2  o 50.664  4.1235  1422.04    224.314  1397.57    305.275  1450.76    330.705  49.694  5.7797  50.493  6.1757  -0.7986870     8.458364  
1 1 1 -27 2   3  o 64.506  3.6644  2290.00    254.963  2489.26    367.688  2105.45    353.855  66.767  5.1235  61.275  5.3864  5.491745       7.434004  
1 1 1 -27 2   4  o 59.871  4.1803  1983.51    269.379  2251.15    366.366  1668.53    397.450  63.370  5.3889  53.857  6.9775  9.513264       8.816280  
1 1 1 -27 2   5  o 99.141  3.3920  5383.41    364.230  5503.56    522.453  5269.79    508.046  99.663  4.8400  97.537  4.8091  2.125496       6.822955  
1 1 1 -27 2   6  o 144.433 3.4801  11434.55   544.411  11343.12   768.632  11526.59   771.200  142.970 4.9637  144.139 4.9399  -1.168213      7.002892  
1 1 1 -27 2   7  o 54.889  4.4284  1674.48    261.028  1610.66    366.359  1740.29    372.004  53.050  6.5128  55.248  6.3310  -2.198303      9.082852  
1 1 1 -27 2   8  o 21.202  7.8763  213.248    241.188  -0.2513    360.748  385.820    324.332  20.324  8.8245  26.420  9.2190  -6.096331      12.76170  
1 1 1 -27 2   9  o 44.510  4.7882  1111.73    227.203  878.061    305.213  1402.15    340.265  38.487  7.5916  49.368  6.5234  -10.88077      10.00933  
1 1 1 -27 2   10 o 53.179  4.3203  1574.28    246.692  1306.47    346.476  1849.64    351.324  47.388  6.9577  57.097  5.7597  -9.709362      9.032331  
1 1 1 -27 2   11 o 34.944  5.7810  703.682    211.153  474.987    296.134  940.202    301.159  28.179  8.7683  39.920  7.2315  -11.74115      11.36560  
1 1 1 -27 2   12 o 32.225  6.5495  611.002    220.801  648.852    310.282  572.170    314.278  32.536  8.6542  30.583  8.9304  1.952692       12.43578  
1 1 1 -27 2   13 o 15.112  6.5742  -13.4738   200.997  -59.8957   237.124  105.015    378.837  15.631  6.9559  21.967  9.2762  -6.336147      11.59452  
1 1 1 -27 2   14 o 66.340  3.7510  2440.87    268.419  2270.27    392.286  2591.06    368.074  62.941  5.8203  67.719  5.0547  -4.777470      7.708831  
1 1 1 -27 2   15 o 22.805  7.4901  305.039    213.895  396.371    300.607  211.378    304.417  25.775  8.8821  21.900  8.6617  3.875326       12.40630  
1 1 1 -27 2   16 o 49.216  4.6225  1378.83    243.520  1356.59    343.925  1401.19    344.857  47.471  6.8903  48.335  6.7734  -0.8631020     9.662020  
1 1 1 -27 2   17 f 60.738  4.3392  2096.75    283.574  2031.88    430.871  2146.32    376.645  57.654  7.0466  60.334  5.8367  -2.679581      9.149959  
1 1 1 -27 2   18 o 30.664  7.0471  591.906    229.142  465.471    322.474  720.853    325.660  26.564  9.1968  32.648  8.9450  -6.084034      12.82942  
1 1 1 -27 2   19 o 38.744  5.9036  905.125    239.903  666.394    337.700  1148.36    340.869  30.910  9.3160  42.308  7.7232  -11.39783      12.10107  
1 1 1 -27 2   20 o 57.857  4.2990  1922.29    267.474  1909.71    376.276  1935.13    380.287  55.881  6.3284  56.227  6.3560  -0.3461533     8.969281  
1 1 1 -27 2   21 o 45.680  5.2068  1242.84    253.010  1274.29    356.972  1211.10    358.654  43.985  7.7776  42.567  8.0745  1.417366       11.21110  
1 1 1 -27 2   22 o 17.475  7.3339  111.437    234.441  127.422    338.262  96.661     325.220  19.635  8.5351  18.990  8.3095  0.6445351      11.91202  
1 1 1 -27 2   23 o 22.041  7.9052  321.040    239.822  200.548    334.758  448.084    343.740  20.516  8.6948  24.881  9.3712  -4.365005      12.78357  
1 1 1 -27 3   1  o 69.706  3.6482  2672.95    274.478  2679.64    372.428  2665.00    406.094  69.327  4.9933  68.934  5.4844  0.3927383      7.416976  
1 1 1 -27 3   2  o 53.175  4.0089  1563.73    229.191  1852.70    330.112  1294.80    318.453  57.456  5.3667  47.604  6.3335  9.852367       8.301539  
1 1 1 -27 3   3  o 71.022  3.4799  2763.97    267.693  2595.20    364.283  2962.10    394.693  68.242  4.9625  72.901  5.0294  -4.659355      7.065501  
1 1 1 -27 3   4  o 57.002  4.1736  1798.69    255.883  1753.95    358.158  1845.35    365.707  55.633  6.0410  57.094  6.0039  -1.460938      8.517078  
1 1 1 -27 3   5  o 62.053  3.9565  2125.74    264.530  2284.11    368.857  1958.02    379.578  63.827  5.3859  58.800  6.0462  5.027115       8.097221  
1 1 1 -27 3   6  o 62.756  4.0248  2175.93    272.129  2140.37    381.617  2212.72    388.163  61.596  5.7880  62.637  5.7870  -1.041012      8.184766  
1 1 1 -27 3   7  o 18.833  7.4021  130.980    221.015  -145.2861  307.201  427.414    318.216  16.943  7.6943  27.337  9.1424  -10.39485      11.94932  
1 1 1 -27 3   8  o 70.926  3.7695  2772.75    288.532  2607.79    394.467  2962.56    423.130  68.159  5.3873  72.659  5.4156  -4.499718      7.638817  
1 1 1 -27 3   9  o 60.083  4.0432  1998.90    261.583  1785.94    346.158  2282.41    399.397  56.134  5.7760  63.475  5.8761  -7.341000      8.239560  
1 1 1 -27 3   10 o 35.373  5.7830  719.869    213.901  703.182    306.265  735.759    298.875  34.046  8.3653  34.941  8.0615  -0.8946571     11.61748  
1 1 1 -27 3   11 o 45.298  4.8415  1154.27    233.856  1178.35    323.203  1127.82    338.792  44.970  6.8523  43.720  7.4197  1.249245       10.09981  
1 1 1 -27 3   12 o 49.213  4.5172  1355.39    238.093  1394.01    280.182  1255.04    451.668  49.623  5.2948  44.973  9.5666  4.649216       10.93409  
1 1 1 -27 3   13 o 67.695  3.7707  2537.03    275.373  2582.53    325.502  2422.49    516.461  68.016  4.4429  64.083  7.5883  3.933853       8.793267  
1 1 1 -27 3   14 o 41.198  4.8731  963.573    213.232  1311.36    291.097  560.889    313.228  47.749  5.7438  30.015  8.9554  17.73410       10.63915  
1 1 1 -27 3   15 f 42.334  5.1473  1027.50    231.159  1301.18    323.858  743.272    330.047  46.964  6.5447  34.181  8.8466  12.78280       11.00430  
1 1 1 -27 3   16 o 17.541  7.1406  103.536    213.210  -95.9374   300.996  304.416    302.055  16.834  7.6339  23.459  8.7945  -6.624630      11.64561  
1 1 1 -27 3   17 o 18.481  7.3232  149.017    217.973  377.611    305.884  -86.8209   310.694  24.731  8.9213  17.022  7.7333  7.709223       11.80651  
1 1 1 -27 3   18 o 86.299  3.4662  4157.63    323.992  4039.32    455.194  4279.10    461.254  83.544  5.0543  86.088  4.9680  -2.543571      7.087048  
1 1 1 -27 3   19 o 60.043  4.4595  2069.17    287.940  2332.30    380.459  1716.39    440.533  62.712  5.6624  51.432  8.1822  11.27915       9.950408  
1 1 1 -27 3   20 o 36.195  6.3456  810.381    239.697  1056.88    336.075  555.162    341.968  40.045  8.0279  28.000  9.4769  12.04591       12.42014  
1 1 1 -27 3   21 o 15.232  6.7883  -15.4764   226.725  27.934     322.883  -57.6997   318.438  18.207  8.1086  17.059  7.7806  1.148111       11.23771  
1 1 1 -27 3   22 o 17.700  7.3516  125.860    232.027  -80.4223   331.034  325.073    325.312  16.933  7.8009  22.665  8.9574  -5.732044      11.87808  
1 1 1 -27 3   23 o 20.152  8.2508  214.990    286.727  -41.4448   358.826  667.940    476.893  17.829  8.1794  28.261  10.939  -10.43241      13.65902  
1 1 1 -27 4   1  o 118.175 3.2589  7642.50    417.130  7340.30    576.383  7974.84    604.438  115.212 4.6190  120.073 4.6477  -4.861069      6.552555  
1 1 1 -27 4   2  o 53.007  4.1615  1556.47    237.000  1687.71    330.035  1416.74    340.549  54.711  5.6509  49.772  6.4702  4.939259       8.590458  
1 1 1 -27 4   3  o 53.558  4.0903  1587.55    235.481  1697.65    317.547  1453.03    351.002  54.968  5.4036  50.367  6.5924  4.600407       8.523940  
1 1 1 -27 4   4  o 20.803  7.5146  214.619    217.137  82.771     303.866  352.192    310.394  20.147  8.3942  25.585  9.0128  -5.438232      12.31641  
1 1 1 -27 4   5  o 57.021  4.1650  1800.09    255.451  1731.94    353.388  1874.68    369.686  55.286  5.9978  57.532  6.0219  -2.246284      8.499226  
1 1 1 -27 4   6  o 108.249 3.3295  6416.62    390.368  6450.89    548.307  6381.41    555.899  107.953 4.6894  107.324 4.7822  0.6293411      6.697764  
1 1 1 -27 4   7  o 63.694  4.0423  2242.52    277.423  2333.58    386.869  2146.13    398.040  64.391  5.6030  61.540  6.0499  2.850563       8.245879  
1 1 1 -27 4   8  o 25.349  7.4188  376.820    216.670  468.238    301.790  279.573    311.265  28.173  8.8656  23.950  8.9377  4.223286       12.58888  
1 1 1 -27 4   9  o 58.578  4.2033  1903.95    264.914  1825.90    356.651  2000.01    395.668  56.711  5.8925  59.205  6.2655  -2.494091      8.600988  
1 1 1 -27 4   10 o 33.219  6.0695  640.206    210.331  716.534    299.914  566.332    295.052  34.436  8.1650  30.561  8.5682  3.875412       11.83562  
1 1 1 -27 4   11 o 29.843  6.7459  526.847    212.924  721.089    293.377  310.652    309.512  34.567  7.9951  24.447  8.9501  10.12059       12.00111  
1 1 1 -27 4   12 o 59.013  3.8957  1929.66    247.605  1849.16    285.622  2173.11    496.711  57.498  4.6255  60.743  7.7245  -3.245022      9.003505  
1 1 1 -27 4   13 f 20.491  7.1814  224.105    196.912  149.530    225.829  460.653    402.199  19.201  7.5011  28.329  10.228  -9.128016      12.68394  
1 1 1 -27 4   14 o 54.287  4.6172  1657.85    268.906  1851.21    327.542  1258.05    470.978  57.023  5.3664  44.265  10.053  12.75802       11.39539  
1 1 1 -27 4   15 o 40.268  5.3427  934.961    227.265  1223.09    321.555  647.377    321.247  45.391  6.7457  31.864  8.9430  13.52712       11.20185  
1 1 1 -27 4   16 o 19.622  7.4023  192.788    214.669  218.299    303.293  167.178    303.885  21.749  8.6319  20.824  8.5062  0.9255466      12.11881  
1 1 1 -27 4   17 o 23.698  7.5979  350.007    220.839  239.327    307.566  467.795    317.288  21.921  8.6949  26.787  9.1283  -4.866388      12.60658  
1 1 1 -27 4   18 o 12.009  5.7492  -248.2993  212.836  -391.7884  295.703  -94.0573   306.582  13.526  6.5504  16.735  7.6332  -3.208729      10.05853  
1 1 1 -27 4   19 o 18.515  7.4734  146.312    231.324  364.427    312.320  -118.7485  344.294  24.131  8.9631  17.302  7.9651  6.829073       11.99085  
1 1 1 -27 4   20 o 20.272  7.6042  234.197    225.880  277.000    315.200  189.010    323.861  22.205  8.8038  20.785  8.6636  1.419678       12.35171  
1 1 1 -27 4   21 o 24.880  7.8322  415.423    235.510  453.240    333.887  377.977    332.243  25.481  9.3009  23.967  9.1687  1.513367       13.06026  
1 1 1 -27 4   22 f 18.215  7.4300  152.449    231.429  -264.4721  323.906  587.255    330.781  14.987  7.1521  28.110  9.3184  -13.12334      11.74675  
1 1 1 -27 4   23 o 30.809  8.1734  666.438    277.231  547.455    343.377  889.205    469.844  26.915  9.4798  32.155  11.103  -5.239458      14.59935  
1 1 1 -27 5   1  o 36.122  6.0943  750.375    229.947  792.558    311.675  699.988    340.639  36.450  8.1045  33.977  9.0818  2.472431       12.17220  
1 1 1 -27 5   2  o 24.975  7.1878  364.079    204.922  439.172    281.861  279.882    298.457  27.422  8.5579  23.814  8.7782  3.608080       12.25945  
1 1 1 -27 5   3  o 57.964  3.8822  1854.33    242.320  1841.34    327.238  1870.09    360.565  57.289  5.3351  57.532  5.8685  -0.2430000     7.931091  
1 1 1 -27 5   4  o 44.973  5.0000  1134.96    239.431  868.527    330.471  1429.35    347.375  38.152  8.2384  49.948  6.5814  -11.79572      10.54450  
1 1 1 -27 5   5  o 16.473  6.8451  49.344     201.279  -51.0106   265.450  185.090    308.729  16.876  7.4420  22.085  8.7267  -5.208359      11.46900  
1 1 1 -27 5   6  o 16.969  7.1066  44.457     219.385  506.399    306.040  -443.8517  314.653  29.198  8.8840  14.245  6.8636  14.95250       11.22651  
1 1 1 -27 5   7  o 40.425  5.4379  926.655    232.058  840.719    311.371  1034.03    348.043  37.597  7.8975  41.761  7.9857  -4.164238      11.23126  
1 1 1 -27 5   8  o 53.147  4.4469  1572.10    253.627  1449.55    342.271  1721.34    377.707  50.286  6.4317  54.832  6.4855  -4.546562      9.133914  
1 1 1 -27 5   9  o 89.147  3.3828  4358.77    326.627  4080.46    458.690  4645.07    465.221  85.497  4.9749  91.373  4.7169  -5.876328      6.855524  
1 1 1 -27 5   10 o 15.156  6.5314  -1.8905    194.658  -138.3780  268.383  149.605    282.754  15.694  7.1522  20.688  8.2934  -4.993911      10.95146  
1 1 1 -27 5   11 o 62.824  3.3377  2172.02    226.303  2149.61    286.145  2209.45    369.784  62.184  4.2745  62.519  5.5175  -0.3356705     6.979546  
1 1 1 -27 5   12 o 29.543  6.5292  515.309    203.361  432.881    231.469  794.216    425.779  26.899  7.6058  35.405  10.411  -8.505945      12.89302  
1 1 1 -27 5   13 o 35.526  5.9923  733.640    222.372  719.959    259.909  771.009    429.555  34.726  7.1485  34.693  10.518  0.3286743E-01  12.71752  
1 1 1 -27 5   14 o 19.454  7.4930  167.059    222.885  183.598    269.498  131.260    396.491  20.824  8.1772  22.550  9.5044  -1.726316      12.53795  
1 1 1 -27 5   15 o 57.271  2.4704  1795.21    153.241  1515.61    371.296  1852.61    168.238  50.444  6.9831  58.127  2.6722  -7.683075      7.476933  
1 1 1 -27 5   16 o 58.239  4.1120  1909.04    257.716  2099.83    363.077  1715.31    365.869  60.120  5.6418  53.774  6.4080  6.346546       8.537683  
1 1 1 -27 5   17 o 54.323  4.3598  1680.38    254.356  1890.45    356.141  1461.66    363.397  56.528  5.9040  48.764  7.0880  7.764534       9.224757  
1 1 1 -27 5   18 o 44.812  5.1015  1172.00    243.194  1273.77    339.371  1064.58    348.673  45.261  7.1611  40.482  8.2326  4.779434       10.91131  
1 1 1 -27 5   19 o 39.269  6.0757  935.020    250.067  969.204    362.803  904.081    345.153  37.690  9.0098  36.517  8.8248  1.172436       12.61158  
1 1 1 -27 5   20 o 21.489  7.8417  279.394    237.316  396.866    316.852  129.291    358.165  24.588  9.0475  20.436  8.8328  4.152348       12.64419  
1 1 1 -27 5   21 o 19.609  7.6119  210.385    231.417  221.047    326.274  199.591    328.282  21.093  8.7357  20.770  8.6953  0.3232460      12.32559  
1 1 1 -27 5   22 o 22.003  7.8145  315.777    233.806  413.037    328.337  215.726    333.016  24.359  9.1619  20.860  8.7470  3.498209       12.66690  
1 1 1 -27 5   23 o 16.231  7.2487  4.1477     259.999  -111.5620  322.563  218.756    439.291  16.321  7.5822  21.941  9.6275  -5.619532      12.25470  
1 1 1 -27 6   1  o 52.853  4.3937  1551.82    249.237  1375.49    338.130  1761.60    368.814  48.992  6.5351  55.666  6.2237  -6.673599      9.024505  
1 1 1 -27 6   2  o 30.041  6.8523  530.045    218.023  496.875    311.925  561.730    304.858  29.006  8.9946  30.619  8.7535  -1.612377      12.55102  
1 1 1 -27 6   3  o 19.305  7.1349  173.674    197.417  241.882    260.153  81.068     303.129  22.291  8.1987  20.097  8.3797  2.193474       11.72341  
1 1 1 -27 6   4  o 51.625  4.4430  1481.59    246.009  1495.51    338.728  1466.06    357.879  51.245  6.2310  50.542  6.7029  0.7037392      9.151764  
1 1 1 -27 6   5  o 81.723  3.4012  3658.51    301.054  3426.10    409.695  3931.30    443.863  78.488  4.8430  84.071  4.8957  -5.583008      6.886380  
1 1 1 -27 6   6  o 76.169  3.5174  3181.25    290.183  3474.68    395.095  2837.56    427.591  79.120  4.6307  71.067  5.6005  8.053299       7.266956  
1 1 1 -27 6   7  o 42.303  5.0559  1007.62    227.064  961.969    312.167  1058.91    330.884  40.481  7.3922  42.489  7.4623  -2.007862      10.50380  
1 1 1 -27 6   8  o 85.866  3.4901  4045.05    324.584  4363.29    444.324  3680.89    475.302  88.628  4.6449  80.998  5.4495  7.630150       7.160466  
1 1 1 -27 6   9  o 51.918  4.5455  1504.08    253.030  1707.12    336.843  1241.13    383.322  54.871  5.7534  45.712  8.0355  9.158882       9.882855  
1 1 1 -27 6   10 o 78.641  3.4659  3396.17    295.210  3454.42    417.434  3337.89    417.545  78.619  4.9271  77.232  5.0188  1.387077       7.033117  
1 1 1 -27 6   11 f 93.508  3.3830  4800.76    342.629  4675.09    398.918  5154.21    669.000  92.026  4.0022  94.938  6.5460  -2.912369      7.672566  
1 1 1 -27 6   12 o 40.569  5.2351  935.524    224.668  701.794    256.657  1701.76    464.704  34.366  7.1290  53.314  8.3192  -18.94766      10.95588  
1 1 1 -27 6   13 o 74.896  3.5150  3089.46    285.140  3160.48    331.595  2887.92    558.599  75.434  4.0736  70.076  7.4751  5.358566       8.513053  
1 1 1 -27 6   14 o 45.053  4.9984  1153.21    239.796  1048.39    283.141  1419.10    450.970  42.328  6.3737  47.754  9.0503  -5.426090      11.06939  
1 1 1 -27 6   15 o 43.981  4.6375  1097.74    217.582  1277.86    295.586  884.725    321.454  46.827  5.9634  37.726  8.1082  9.100124       10.06505  
1 1 1 -27 6   16 o 25.415  7.6572  401.835    228.173  671.696    332.791  162.433    313.448  31.962  9.1487  20.904  8.6005  11.05757       12.55654  
1 1 1 -27 6   17 o 49.592  4.6610  1411.97    247.420  1133.37    344.083  1710.26    356.031  42.329  7.7921  53.456  6.2682  -11.12693      10.00036  
1 1 1 -27 6   18 o 21.368  7.6207  268.938    222.571  203.452    309.865  338.734    319.901  21.155  8.6095  23.837  9.0257  -2.682701      12.47351  
1 1 1 -27 6   19 o 21.347  7.6506  272.095    224.579  252.925    311.351  292.886    324.246  21.910  8.7300  22.803  8.9646  -0.8930721     12.51309  
1 1 1 -27 6   20 o 50.168  4.7528  1466.47    255.174  1484.69    357.459  1447.53    364.381  48.603  6.9915  47.718  7.2809  0.8858109      10.09421  
1 1 1 -27 6   21 o 22.185  7.7707  316.318    230.540  317.805    323.268  314.779    328.870  22.756  8.9495  22.744  9.0006  0.1166534E-01  12.69270  
1 1 1 -27 6   22 o 22.622  7.9865  339.715    243.860  328.302    355.974  349.806    334.744  22.908  9.2623  23.158  9.1072  -0.2500305     12.98964  
1 1 1 -27 6   23 o 19.989  8.5231  174.215    325.100  174.215    325.100  0.0000     0.0000   19.989  8.5231  ?       ?       0.000000       8.523098  
1 1 1 -27 7   1  o 26.681  7.2449  419.346    214.762  408.467    296.670  431.325    311.297  26.740  8.8230  27.406  9.0377  -0.6659470     12.63032  
1 1 1 -27 7   2  o 35.600  6.2129  730.797    230.848  710.982    310.414  755.317    345.302  34.409  8.4019  35.301  9.0029  -0.8914108     12.31443  
1 1 1 -27 7   3  o 57.830  3.8912  1846.11    242.310  1722.22    324.281  2002.74    364.610  55.331  5.4833  59.611  5.7173  -4.280388      7.921701  
1 1 1 -27 7   4  o 30.135  6.6864  531.921    212.532  460.709    279.953  628.797    326.524  27.966  8.4942  32.275  9.0012  -4.308714      12.37633  
1 1 1 -27 7   5  o 55.447  4.3208  1705.61    257.437  1659.10    352.875  1758.53    376.405  54.035  6.1384  55.551  6.3712  -1.516174      8.847104  
1 1 1 -27 7   6  o 52.542  4.3347  1533.28    244.478  1572.52    327.377  1483.81    367.594  52.695  5.8339  50.752  6.8632  1.942471       9.007648  
1 1 1 -27 7   7  o 17.752  7.1322  97.342     209.620  -3.8926    277.269  232.392    320.248  17.948  7.7645  23.186  8.9672  -5.237915      11.86162  
1 1 1 -27 7   8  f 16.519  7.0334  19.766     220.806  -46.1092   299.315  98.419     327.060  17.965  7.9133  20.920  8.7119  -2.954821      11.76930  
1 1 1 -27 7   9  o 66.497  3.9027  2443.62    279.854  2511.88    376.209  2359.06    418.746  66.897  5.2340  64.429  6.0723  2.468040       8.016703  
1 1 1 -27 7   10 o 26.510  6.2178  412.618    175.441  252.303    215.295  729.496    302.685  21.670  7.5139  34.739  8.1800  -13.06889      11.10725  
1 1 1 -27 7   11 o 31.049  6.2793  564.296    203.913  482.332    229.776  868.152    442.410  28.396  7.3972  36.992  10.535  -8.595966      12.87220  
1 1 1 -27 7   12 o 101.834 3.0418  5681.65    335.499  5522.05    412.808  5992.19    575.817  100.065 3.8089  103.477 5.1377  -3.411629      6.395610  
1 1 1 -27 7   13 o 18.756  7.1583  155.257    202.225  73.229     234.088  396.547    401.485  17.812  7.3899  27.095  10.143  -9.282881      12.54945  
1 1 1 -27 7   14 o 69.206  3.7857  2658.12    282.692  2631.62    332.303  2727.54    537.803  68.517  4.5029  67.843  7.4410  0.6740036      8.697401  
1 1 1 -27 7   15 o 25.250  7.9301  388.574    241.594  425.073    297.988  318.564    412.708  26.377  8.8470  25.362  10.068  1.015682       13.40280  
1 1 1 -27 7   16 o 24.614  7.5184  374.607    218.874  635.594    303.735  92.687     315.681  31.306  8.6639  19.796  8.4187  11.50984       12.08048  
1 1 1 -27 7   17 o 68.810  3.8674  2664.54    287.062  2644.90    412.437  2683.01    399.792  67.076  5.7321  67.775  5.4934  -0.6993637     7.939408  
1 1 1 -27 7   18 o 77.376  3.6010  3351.24    301.785  3280.52    422.191  3425.13    431.541  75.077  5.2246  76.720  5.2244  -1.642960      7.388548  
1 1 1 -27 7   19 o 49.193  4.8049  1405.43    252.744  1591.94    350.297  1202.90    365.026  51.044  6.4822  42.924  8.1495  8.119793       10.41312  
1 1 1 -27 7   20 o 28.288  7.5285  525.950    234.726  788.307    329.898  256.956    334.045  33.659  8.9096  22.037  8.9505  11.62263       12.62904  
1 1 1 -27 7   21 o 18.887  7.4976  179.966    228.865  360.747    319.589  -10.3385   327.898  23.555  8.9967  17.819  8.0342  5.736063       12.06194  
1 1 1 -27 7   22 o 25.065  7.8655  430.591    237.729  593.183    330.709  256.737    341.973  28.223  9.3156  21.604  8.9450  6.618986       12.91482  
1 1 1 -27 7   23 o 19.204  8.3450  123.010    323.144  123.010    323.144  0.0000     0.0000   19.204  8.3450  ?       ?       0.000000       8.344964  
1 1 1 -27 8   1  o 58.880  3.8655  1913.44    245.147  1716.73    330.990  2152.46    364.861  55.179  5.6165  61.891  5.5002  -6.711872      7.861144  
1 1 1 -27 8   2  o 58.242  4.0932  1876.30    256.569  1955.26    344.672  1778.17    384.229  58.991  5.4563  55.824  6.4750  3.167267       8.467353  
1 1 1 -27 8   3  o 93.177  3.2949  4752.29    332.517  4556.23    445.533  4998.83    499.598  90.805  4.5300  94.846  4.8798  -4.041199      6.658375  
1 1 1 -27 8   4  o 52.392  4.3227  1523.81    243.106  1757.03    317.225  1191.93    378.422  55.956  5.2973  44.918  8.0752  11.03775       9.657600  
1 1 1 -27 8   5  o 93.853  3.3727  4824.71    342.847  4338.95    472.989  5362.48    497.669  88.294  4.9661  98.439  4.6677  -10.14411      6.815398  
1 1 1 -27 8   6  o 110.353 3.3165  6668.88    396.398  6606.69    545.244  6738.61    577.313  109.275 4.6068  110.242 4.8350  -0.9671249     6.678312  
1 1 1 -27 8   7  o 79.023  3.5108  3425.31    300.486  3692.53    427.851  3165.22    422.110  81.436  4.8731  75.226  5.2128  6.209198       7.135874  
1 1 1 -27 8   8  o 58.555  4.3203  1904.06    272.066  1682.64    374.425  2151.72    396.001  54.175  6.5115  61.579  6.0142  -7.403137      8.863955  
1 1 1 -27 8   9  o 27.110  7.7182  436.996    237.518  262.399    327.541  630.629    344.936  23.817  9.1053  32.112  9.3499  -8.295294      13.05093  
1 1 1 -27 8   10 o 16.432  6.6255  80.048     181.611  11.480     201.668  374.233    417.719  15.664  6.6968  27.183  10.309  -11.51898      12.29293  
1 1 1 -27 8   11 o 20.508  7.1030  224.616    192.363  251.203    215.278  119.291    428.471  21.615  7.5126  23.352  9.8635  -1.737532      12.39865  
1 1 1 -27 8   12 o 13.576  6.1478  -91.7884   194.445  -208.9874  219.740  331.158    417.437  13.015  6.1147  26.302  10.220  -13.28736      11.90925  
1 1 1 -27 8   13 o 61.979  4.0592  2136.53    270.988  2161.76    320.831  2073.74    506.209  62.017  4.8141  58.803  8.1687  3.213665       9.481696  
1 1 1 -27 8   14 o 99.996  3.3905  5511.49    367.208  5497.37    430.861  5548.99    701.974  99.529  3.9968  97.732  6.6714  1.797623       7.777042  
1 1 1 -27 8   15 o 67.896  4.0422  2578.21    295.911  2661.47    356.194  2392.77    531.606  68.529  4.8298  62.608  8.0241  5.921001       9.365568  
1 1 1 -27 8   16 o 27.302  7.3082  464.958    220.390  570.145    304.966  349.971    318.856  29.604  8.8374  24.509  9.0658  5.094719       12.66047  
1 1 1 -27 8   17 o 52.231  4.4651  1558.58    250.169  1657.49    347.663  1452.38    360.259  52.640  6.2179  48.611  7.0480  4.029099       9.398716  
1 1 1 -27 8   18 o 43.049  5.5065  1095.58    250.864  1367.91    361.358  842.243    348.540  46.720  7.3867  35.202  9.0814  11.51774       11.70619  
1 1 1 -27 8   19 o 13.992  6.4487  -114.7145  226.521  -51.9949   298.006  -200.5443  348.612  16.905  7.6373  16.569  7.7582  0.3358231      10.88660  
1 1 1 -27 8   20 o 31.751  7.0373  645.882    235.650  622.432    329.298  670.495    337.366  29.606  9.2518  30.652  9.3279  -1.045856      13.13792  
1 1 1 -27 8   21 o 22.601  7.8072  332.305    232.324  292.978    324.173  373.832    333.121  22.293  8.9000  23.862  9.1683  -1.568604      12.77756  
1 1 1 -27 8   22 f 28.434  7.6279  549.591    239.785  447.341    333.407  659.146    345.110  25.023  9.2674  29.537  9.5009  -4.514198      13.27224  
1 1 1 -27 8   23 o 16.311  7.5626  -103.4580  318.498  -103.4580  318.498  0.0000     0.0000   16.311  7.5626  ?       ?       0.000000       7.562563  
1 1 1 -27 9   1  o 61.678  3.8698  2099.02    257.208  2165.61    355.561  2025.93    372.525  62.143  5.3343  59.899  5.8153  2.244217       7.891304  
1 1 1 -27 9   2  o 74.969  3.3784  3078.35    274.325  2804.39    372.262  3403.94    405.816  70.970  4.8724  78.245  4.8119  -7.274849      6.847965  
1 1 1 -27 9   3  o 18.090  7.1626  113.062    208.365  13.931     283.247  229.975    307.602  18.433  7.9100  22.931  8.8103  -4.498018      11.84013  
1 1 1 -27 9   4  o 68.253  3.6322  2562.97    267.548  2372.66    357.716  2804.60    403.071  65.162  5.1093  70.799  5.2947  -5.636093      7.357953  
1 1 1 -27 9   5  o 70.782  3.6219  2755.98    276.738  2516.41    368.598  3065.48    418.954  67.109  5.1095  74.040  5.2585  -6.930832      7.332029  
1 1 1 -27 9   6  o 40.686  5.6317  941.189    241.516  642.923    332.332  1275.03    351.592  32.567  9.0803  46.858  7.1545  -14.29074      11.56017  
1 1 1 -27 9   7  o 51.776  4.4442  1492.02    246.811  1565.89    329.420  1397.49    372.650  52.532  5.8912  49.033  7.2341  3.498882       9.329437  
1 1 1 -27 9   8  o 24.945  7.6981  361.917    228.795  249.824    311.108  493.952    337.648  23.312  8.8831  28.933  9.4062  -5.621019      12.93779  
1 1 1 -27 9   9  o 23.498  7.5296  315.734    216.911  323.833    278.677  303.286    345.499  24.388  8.5435  24.900  9.3915  -0.5118771     12.69610  
1 1 1 -27 9   10 o 26.224  7.3013  408.179    215.032  473.149    247.071  205.272    436.630  28.106  7.8268  24.765  10.165  3.340805       12.82945  
1 1 1 -27 9   11 o 50.200  4.2492  1403.92    228.871  1263.30    259.266  1900.36    487.151  47.293  5.1445  56.538  8.1941  -9.245129      9.675151  
1 1 1 -27 9   12 f 48.800  4.3431  1330.46    227.155  1433.98    257.667  969.356    481.233  50.523  4.7650  38.720  10.973  11.80285       11.96311  
1 1 1 -27 9   13 o 43.095  5.1282  1055.83    234.670  1133.12    275.186  849.813    449.311  44.351  5.8732  36.191  10.709  8.160229       12.21418  
1 1 1 -27 9   14 o 50.159  4.4985  1415.72    241.798  1282.45    281.816  1787.56    470.745  47.229  5.6195  54.199  8.2820  -6.969944      10.00846  
1 1 1 -27 9   15 o 64.917  4.0231  2357.75    281.479  2232.58    334.326  2662.49    521.656  62.642  4.9683  66.626  7.3513  -3.983772      8.872768  
1 1 1 -27 9   16 o 39.933  5.3498  929.260    225.568  999.538    310.015  850.198    328.819  40.238  7.3855  36.324  8.5073  3.914352       11.26589  
1 1 1 -27 9   17 o 24.241  7.5810  369.832    221.054  498.422    305.841  229.180    319.865  27.475  8.9532  21.880  8.8033  5.594305       12.55620  
1 1 1 -27 9   18 o 14.960  6.6468  -27.1427   215.678  -10.4148   297.906  -45.5685   312.660  17.549  7.8036  17.461  7.8617  0.8741188E-01  11.07712  
1 1 1 -27 9   19 o 40.115  5.9078  970.937    248.997  907.510    330.353  1054.37    378.883  36.861  8.4545  39.239  9.0928  -2.378471      12.41600  
1 1 1 -27 9   20 o 32.426  6.9717  671.363    237.573  581.881    330.337  767.229    341.920  28.626  9.3037  32.890  9.2246  -4.263636      13.10158  
1 1 1 -27 9   21 o 35.007  6.6287  776.864    242.130  751.777    337.871  803.350    347.166  32.202  9.2184  33.263  9.2831  -1.060196      13.08261  
1 1 1 -27 9   22 o 44.665  6.1738  1243.74    290.684  1245.83    355.736  1239.55    504.267  42.971  7.9356  38.405  11.340  4.565868       13.84097  
1 1 1 -27 9   23 o 18.977  8.2894  108.010    322.408  108.010    322.408  0.0000     0.0000   18.977  8.2894  ?       ?       0.000000       8.289410  
1 1 1 -27 10  1  o 27.651  7.2981  451.895    221.766  622.396    284.815  189.356    353.425  32.231  8.1528  23.092  9.2667  9.139540       12.34263  
1 1 1 -27 10  2  f 34.683  5.6053  687.250    203.381  894.132    264.613  388.628    317.915  39.380  6.4256  26.473  9.1335  12.90711       11.16732  
1 1 1 -27 10  3  o 63.615  3.9051  2232.99    267.769  2392.78    359.343  2033.49    401.523  65.438  5.1106  59.815  6.2921  5.623409       8.106049  
1 1 1 -27 10  4  o 59.323  3.9153  1943.15    250.154  2012.54    332.063  1852.11    380.382  59.960  5.1635  57.070  6.2563  2.889572       8.111933  
1 1 1 -27 10  5  o 67.671  3.6832  2521.18    268.942  2437.72    355.341  2633.09    411.491  66.084  5.0016  68.442  5.6000  -2.357735      7.508346  
1 1 1 -27 10  6  o 136.938 3.4237  10277.84   507.792  10245.70   709.458  10311.60   727.120  135.930 4.8188  136.295 4.9256  -0.3650818     6.890728  
1 1 1 -27 10  7  o 58.076  4.1197  1868.15    257.455  1744.23    343.478  2027.04    388.936  55.504  5.7992  59.744  6.0960  -4.239750      8.413748  
1 1 1 -27 10  8  o 95.806  3.4250  5034.87    355.407  5260.75    488.804  4781.50    517.681  97.418  4.6326  92.472  5.1897  4.945961       6.956535  
1 1 1 -27 10  9  o 38.276  4.6904  824.458    190.382  679.329    229.311  1146.41    341.543  34.126  6.4401  44.158  7.4031  -10.03181      9.812276  
1 1 1 -27 10  10 o 43.837  4.5172  1076.13    211.404  975.958    236.621  1472.36    470.611  41.433  5.4012  49.165  9.1751  -7.732349      10.64685  
1 1 1 -27 10  11 o 20.667  7.2724  224.662    202.039  309.142    228.468  -78.4209   432.742  23.369  7.7442  21.004  9.3682  2.364763       12.15471  
1 1 1 -27 10  12 o 19.172  7.2003  169.656    202.645  260.312    229.382  -152.6290  432.494  22.017  7.7488  20.135  9.1385  1.882040       11.98145  
1 1 1 -27 10  13 o 80.015  3.6609  3533.26    317.268  3452.06    374.709  3738.92    596.296  78.642  4.4170  80.155  6.9368  -1.513062      8.223722  
1 1 1 -27 10  14 o 48.016  1.9844  1256.37    103.203  862.121    284.453  1316.13    110.749  37.879  7.1964  49.130  2.0812  -11.25060      7.491293  
1 1 1 -27 10  15 o 43.979  1.9169  1054.57    91.310   769.616    275.469  1089.75    96.781   35.416  7.4188  44.694  1.9993  -9.277309      7.683490  
1 1 1 -27 10  16 o 23.369  7.7832  331.606    230.668  360.478    278.546  268.595    411.498  24.382  8.5415  24.095  9.8769  0.2872238      13.05794  
1 1 1 -27 10  17 o 77.514  3.6337  3359.58    305.070  3033.65    435.045  3674.90    427.912  71.925  5.6294  79.857  4.9720  -7.932625      7.510748  
1 1 1 -27 10  18 o 31.540  6.8771  622.778    228.307  653.377    314.166  588.533    332.352  31.056  8.8888  29.301  9.3130  1.754440       12.87413  
1 1 1 -27 10  19 o 24.238  7.8329  379.722    234.363  312.469    330.043  448.126    332.854  23.178  9.0644  25.899  9.3106  -2.721430      12.99423  
1 1 1 -27 10  20 o 43.014  5.5007  1107.61    250.402  1127.11    346.245  1086.23    362.563  41.320  8.0259  39.979  8.6262  1.341331       11.78242  
1 1 1 -27 10  21 o 24.734  7.7880  410.855    232.847  544.156    322.897  266.437    336.092  27.461  9.2093  21.929  8.9503  5.532370       12.84208  
1 1 1 -27 10  22 o 19.040  7.8518  169.876    262.010  192.109    319.295  124.042    458.445  20.267  8.5351  21.216  9.5391  -0.9485149     12.80003  
1 1 1 -27 10  23 o 17.007  7.8445  -74.8926   336.225  -74.8926   336.225  0.0000     0.0000   17.007  7.8445  ?       ?       0.000000       7.844495  
1 1 1 -27 11  1  o 74.468  3.5618  3042.01    287.284  3045.95    389.012  3037.29    426.073  73.954  4.8841  73.633  5.3797  0.3205185      7.266060  
1 1 1 -27 11  2  o 77.524  3.3837  3292.35    284.121  3071.50    372.489  3599.61    439.354  74.368  4.6477  80.343  5.0750  -5.974670      6.881602  
1 1 1 -27 11  3  o 41.855  5.1453  987.294    228.342  881.445    309.247  1114.19    338.592  38.636  7.6606  43.653  7.4273  -5.017365      10.67001  
1 1 1 -27 11  4  o 67.256  3.7206  2491.17    269.975  2441.10    353.706  2561.03    417.870  66.144  4.9736  67.418  5.7784  -1.273842      7.624105  
1 1 1 -27 11  5  o 45.966  4.6851  1181.06    229.991  796.572    297.334  1753.76    362.884  36.645  7.7342  55.553  6.1333  -18.90773      9.870946  
1 1 1 -27 11  6  o 49.573  4.5348  1369.75    240.787  1368.15    318.813  1371.86    367.375  48.977  6.1453  48.606  7.1958  0.3712120      9.462798  
1 1 1 -27 11  7  o 70.406  3.7069  2731.03    281.678  2803.85    377.620  2639.69    422.924  70.874  4.9503  68.397  5.7626  2.476410       7.596933  
1 1 1 -27 11  8  o 27.849  7.2218  460.366    219.665  271.688    284.231  740.199    346.147  23.293  8.5694  34.775  9.0889  -11.48164      12.49169  
1 1 1 -27 11  9  o 68.906  3.6454  2617.54    271.100  2525.26    310.361  2914.66    556.872  67.456  4.2700  70.877  7.3614  -3.421425      8.510182  
1 1 1 -27 11  10 o 77.224  3.3603  3272.77    281.061  3277.52    319.538  3256.51    590.792  77.129  3.8250  74.874  7.3811  2.255486       8.313329  
1 1 1 -27 11  11 o 26.726  6.8841  424.159    200.497  596.505    224.874  -244.0076  442.771  31.783  6.7414  19.557  9.0142  12.22570       11.25617  
1 1 1 -27 11  12 o 37.432  5.3831  801.544    211.970  670.099    238.155  1302.63    464.988  33.665  6.7662  45.658  9.7019  -11.99294      11.82830  
1 1 1 -27 11  13 o 27.018  7.3109  440.238    219.143  505.394    252.923  244.018    438.916  28.790  7.8809  25.035  10.224  3.755478       12.90906  
1 1 1 -27 11  14 o 19.510  7.2863  185.212    206.949  341.567    239.578  -274.3835  410.752  24.085  7.9279  18.185  8.4838  5.900166       11.61146  
1 1 1 -27 11  15 o 31.819  6.7439  613.083    225.199  708.592    264.863  363.901    427.818  33.931  7.4142  26.155  10.293  7.776295       12.68489  
1 1 1 -27 11  16 o 17.180  7.1789  76.036     223.175  171.841    267.945  -140.9921  403.280  20.105  8.0685  18.840  8.6536  1.265425       11.83155  
1 1 1 -27 11  17 o 32.420  0.9737  570.542    34.191   -149.9626  294.122  580.411    34.424   15.792  7.3024  32.699  0.9720  -16.90786      7.366830  
1 1 1 -27 11  18 o 20.643  7.6496  239.249    227.223  410.593    323.803  73.017     318.936  25.309  9.1713  19.202  8.3173  6.106770       12.38108  
1 1 1 -27 11  19 f 32.434  6.7948  661.623    231.055  707.940    316.163  608.532    338.501  32.123  8.8187  29.429  9.4036  2.694410       12.89174  
1 1 1 -27 11  20 o 44.157  5.5468  1169.09    259.432  761.232    368.874  1568.30    364.942  32.247  9.7404  49.955  6.9317  -17.70754      11.95511  
1 1 1 -27 11  21 o 40.603  5.7974  1006.89    247.715  1089.80    344.453  918.094    356.501  40.132  8.2015  35.769  9.1616  4.362656       12.29630  
1 1 1 -27 11  22 o 35.896  7.4304  856.751    279.371  852.079    340.605  866.358    488.367  34.164  9.0577  31.646  11.288  2.518112       14.47294  
1 1 1 -27 11  23 o 30.857  10.353  772.898    408.041  772.898    408.041  0.0000     0.0000   30.857  10.353  ?       ?       0.000000       10.35252  
1 1 1 -27 12  1  o 79.342  3.4287  3450.29    294.645  3503.21    390.680  3380.50    448.702  79.464  4.5583  77.701  5.3645  1.763496       7.039576  
1 1 1 -27 12  2  o 20.832  7.2256  228.509    199.096  227.402    243.955  230.717    344.525  21.622  7.9414  23.640  9.2567  -2.018087      12.19643  
1 1 1 -27 12  3  o 23.905  7.7513  323.213    229.358  145.611    308.134  543.866    343.455  21.325  8.6191  30.212  9.4498  -8.887291      12.79010  
1 1 1 -27 12  4  o 22.045  7.5365  262.166    216.290  108.573    291.509  450.282    322.611  20.249  8.3082  27.917  9.2001  -7.667883      12.39634  
1 1 1 -27 12  5  o 20.855  7.4619  220.148    213.552  277.808    278.172  137.393    333.253  23.400  8.4973  21.755  8.8997  1.644226       12.30486  
1 1 1 -27 12  6  o 60.375  4.5618  2027.61    296.108  2049.22    448.959  2010.98    393.935  59.616  7.0922  59.469  6.2074  0.1469421      9.425001  
1 1 1 -27 12  7  o 54.991  4.5319  1684.41    267.521  2065.97    372.442  1277.72    384.511  60.450  5.7580  46.506  7.9173  13.94390       9.789691  
1 1 1 -27 12  8  o 29.540  5.7854  505.452    178.481  502.566    212.945  512.267    327.226  29.163  6.8570  29.288  9.2337  -0.1246681     11.50132  
1 1 1 -27 12  9  o 23.024  6.9349  307.650    187.176  293.161    207.235  371.814    436.103  22.736  7.3675  27.405  10.499  -4.669289      12.82654  
1 1 1 -27 12  10 o 30.655  6.6046  553.541    212.820  676.350    240.943  117.661    453.925  33.892  6.8001  23.862  10.119  10.03018       12.19201  
1 1 1 -27 12  11 o 14.943  6.4899  -13.3276   195.222  36.403     218.769  -207.7540  432.563  16.702  7.0508  19.643  9.0003  -2.941441      11.43325  
1 1 1 -27 12  12 o 34.023  6.2300  676.533    221.119  684.690    252.330  649.542    458.992  33.900  7.0998  32.332  10.979  1.568176       13.07478  
1 1 1 -27 12  13 o 55.955  4.3846  1752.57    263.602  1799.36    306.223  1618.70    517.968  56.399  5.0670  50.688  9.7890  5.711075       11.02270  
1 1 1 -27 12  14 o 28.305  7.0400  485.737    214.931  581.562    247.931  195.924    431.171  30.829  7.4973  23.975  9.9951  6.854097       12.49441  
1 1 1 -27 12  15 o 34.929  6.3219  727.790    230.365  709.363    269.776  777.400    442.651  33.859  7.5488  33.802  10.748  0.5683517E-01  13.13435  
1 1 1 -27 12  16 o 15.212  6.8259  -57.6051   233.452  -112.6856  287.721  48.531     399.397  16.156  7.3791  20.828  9.1585  -4.671852      11.76130  
1 1 1 -27 12  17 o 19.930  7.5724  207.516    225.669  256.453    321.822  160.174    316.533  22.364  8.8867  20.603  8.5743  1.761589       12.34880  
1 1 1 -27 12  18 o 35.822  6.0837  777.218    227.597  774.367    308.000  780.646    337.803  34.211  8.3788  33.854  9.0418  0.3574867      12.32712  
1 1 1 -27 12  19 o 28.483  7.4300  526.726    231.615  749.159    320.717  284.263    334.845  33.063  8.8005  22.677  9.0478  10.38556       12.62189  
1 1 1 -27 12  20 o 17.688  7.2896  120.525    225.644  92.542     309.866  152.116    329.231  18.964  8.2062  20.205  8.5951  -1.240572      11.88349  
1 1 1 -27 12  21 o 41.132  5.7955  1033.40    251.033  942.559    346.095  1134.25    364.661  36.589  8.8334  40.568  8.5679  -3.978333      12.30604  
1 1 1 -27 12  22 o 22.945  9.1474  339.352    342.014  339.352    342.014  0.0000     0.0000   22.945  9.1474  ?       ?       0.000000       9.147418  
1 1 1 -27 12  23 o 28.243  9.7993  620.105    366.205  620.105    366.205  0.0000     0.0000   28.243  9.7993  ?       ?       0.000000       9.799339  
1 1 1 -27 13  1  o 58.823  4.2465  1918.04    268.732  1921.84    365.793  1913.59    396.103  58.278  5.8752  57.914  6.4229  0.3644981      8.704705  
1 1 1 -27 13  2  o 78.388  3.6004  3371.81    305.683  3371.26    408.481  3372.51    460.842  77.819  4.8709  77.535  5.5237  0.2839890      7.364544  
1 1 1 -27 13  3  o 22.725  7.8629  276.950    235.697  405.764    295.528  51.798     390.709  26.644  8.8067  21.808  9.3222  4.836205       12.82425  
1 1 1 -27 13  4  o 13.495  6.2396  -159.2984  214.605  -188.5702  275.773  -114.3539  341.716  15.392  7.1013  18.362  8.2473  -2.969296      10.88336  
1 1 1 -27 13  5  o 24.035  7.8249  326.911    233.633  297.537    303.340  369.747    366.309  24.232  8.8621  26.617  9.7380  -2.385363      13.16682  
1 1 1 -27 13  6  o 84.709  3.5197  3936.80    322.928  3932.98    448.807  3940.91    465.003  84.003  4.9547  84.000  5.1356  0.2899170E-02  7.136114  
1 1 1 -27 13  7  o 78.789  3.5569  3408.08    303.534  3110.86    411.013  3764.64    450.181  74.575  5.1195  82.084  5.0887  -7.508553      7.218300  
1 1 1 -27 13  8  o 16.809  6.7909  82.277     191.184  -9.2733    213.283  456.668    431.308  15.714  6.8040  28.886  10.567  -13.17169      12.56795  
1 1 1 -27 13  9  o 85.076  3.3096  3969.51    304.965  3992.14    348.231  3895.02    631.713  85.157  3.7755  82.134  7.1731  3.022774       8.106023  
1 1 1 -27 13  10 o 116.931 3.2233  7496.54    408.225  7090.48    470.035  8743.07    823.552  113.436 3.8257  124.311 6.1166  -10.87475      7.214507  
1 1 1 -27 13  11 o 66.372  3.6148  2431.04    258.877  2410.42    293.344  2503.65    550.444  65.902  4.1306  65.113  7.9716  0.7890472      8.978192  
1 1 1 -27 13  12 o 59.723  3.9227  1979.26    252.332  1731.85    286.914  2824.00    530.158  55.505  4.8204  69.594  7.1342  -14.08900      8.610056  
1 1 1 -27 13  13 o 81.843  3.4715  3691.54    307.733  3562.43    354.057  4090.34    622.277  80.030  4.0984  83.793  6.9184  -3.763306      8.041216  
1 1 1 -27 13  14 o 41.749  5.4303  1003.70    239.738  996.444    281.781  1022.71    456.211  41.060  6.5566  39.273  10.516  1.787003       12.39222  
1 1 1 -27 13  15 o 40.491  5.7130  958.403    243.592  968.386    288.519  933.624    454.549  40.066  6.8973  36.868  10.733  3.198811       12.75792  
1 1 1 -27 13  16 o 30.016  1.7413  492.870    56.367   499.279    280.201  492.600    57.543   27.778  8.5103  30.001  1.7788  -2.223225      8.694252  
1 1 1 -27 13  17 o 37.620  6.2618  857.133    246.178  721.820    287.660  1227.45    475.877  33.339  8.0561  41.439  10.569  -8.100067      13.28954  
1 1 1 -27 13  18 o 32.057  6.7075  639.430    225.409  480.484    303.021  836.343    337.277  26.853  8.9197  35.211  8.8530  -8.358265      12.56730  
1 1 1 -27 13  19 o 56.157  4.5299  1818.08    273.177  1941.97    392.364  1701.52    380.567  56.260  6.5624  52.339  6.8801  3.921227       9.507886  
1 1 1 -27 13  20 o 35.686  6.4679  795.679    240.792  629.556    330.705  983.124    351.288  29.635  9.2733  37.756  8.7596  -8.121058      12.75636  
1 1 1 -27 13  21 o 35.150  6.6379  784.896    243.447  731.479    332.556  846.575    357.353  31.740  9.1630  34.001  9.3926  -2.260799      13.12178  
1 1 1 -27 13  22 o 27.752  9.7010  587.825    359.215  587.825    359.215  0.0000     0.0000   27.752  9.7010  ?       ?       0.000000       9.701038  
1 1 1 -27 13  23 o 22.172  9.1330  293.529    353.991  293.529    353.991  0.0000     0.0000   22.172  9.1330  ?       ?       0.000000       9.133008  
1 1 1 -27 14  1  f 100.493 3.2819  5530.39    357.223  5547.88    485.001  5509.65    528.128  100.179 4.4699  99.632  4.8941  0.5473175      6.628123  
1 1 1 -27 14  2  o 23.002  7.3560  299.694    207.106  343.122    264.789  231.263    332.388  24.788  8.3395  23.405  9.1122  1.382887       12.35232  
1 1 1 -27 14  3  o 21.285  7.2788  243.138    201.750  146.982    244.206  449.849    358.056  19.787  7.7796  28.180  9.6947  -8.392538      12.43014  
1 1 1 -27 14  4  o 65.807  3.8400  2388.57    272.508  2517.78    352.592  2196.89    429.441  67.201  4.8774  62.068  6.4838  5.133846       8.113479  
1 1 1 -27 14  5  o 69.831  3.9474  2691.79    297.335  2385.11    390.958  3112.54    457.930  65.091  5.6000  74.351  5.7307  -9.259514      8.012485  
1 1 1 -27 14  6  o 39.926  6.1033  915.405    255.546  1051.85    341.453  741.663    385.299  42.185  7.7590  34.697  9.8137  7.488373       12.51048  
1 1 1 -27 14  7  o 79.614  3.1972  3471.14    275.698  3549.27    341.150  3324.04    468.091  80.280  3.9234  76.816  5.6661  3.464462       6.891887  
1 1 1 -27 14  8  o 85.590  3.3595  4018.01    311.436  3987.58    357.299  4114.27    635.393  85.087  3.8770  84.604  6.9967  0.4831696      7.999104  
1 1 1 -27 14  9  o 62.402  3.7233  2150.13    250.507  2030.55    282.957  2583.62    538.749  60.423  4.3527  66.516  7.6153  -6.092785      8.771474  
1 1 1 -27 14  10 o 51.507  4.3676  1479.30    241.360  1458.04    275.024  1550.54    503.456  50.886  5.0570  50.190  9.6114  0.6963463      10.86059  
1 1 1 -27 14  11 o 25.868  6.8996  397.312    196.866  370.466    218.832  511.251    450.832  25.045  7.4883  29.848  10.821  -4.803318      13.15929  
1 1 1 -27 14  12 f 15.816  6.6168  42.909     189.909  -10.5054   210.568  275.750    439.637  15.510  6.7381  25.632  10.318  -10.12169      12.32326  
1 1 1 -27 14  13 o 14.469  6.5106  -79.0473   214.051  31.031     245.551  -427.4298  436.836  17.330  7.3987  17.664  8.3948  -0.3342228     11.18987  
1 1 1 -27 14  14 o 33.783  6.5757  681.308    231.954  783.522    272.988  415.891    439.901  35.957  7.2597  27.400  10.534  8.556950       12.79315  
1 1 1 -27 14  15 o 23.368  7.7466  327.066    228.599  243.025    270.677  536.114    426.902  21.781  8.2891  29.003  10.528  -7.222111      13.39919  
1 1 1 -27 14  16 o 13.830  6.3504  -113.5526  216.924  -215.4317  256.975  139.029    404.623  13.991  6.5856  22.012  9.4501  -8.021079      11.51849  
1 1 1 -27 14  17 o 29.766  7.3354  562.852    234.969  491.948    273.410  763.157    459.545  27.387  8.4093  32.296  10.986  -4.909157      13.83480  
1 1 1 -27 14  18 o 22.136  7.7197  298.395    227.405  -13.0681   316.418  631.131    327.045  17.941  8.0057  30.315  9.1749  -12.37435      12.17661  
1 1 1 -27 14  19 o 55.665  2.5223  1708.85    152.073  1802.80    359.612  1688.39    167.817  54.522  6.1999  55.141  2.8193  -0.6190948     6.810871  
1 1 1 -27 14  20 o 48.672  4.8952  1390.79    254.563  1480.11    350.745  1291.37    370.042  48.514  6.8668  44.197  8.0257  4.316479       10.56243  
1 1 1 -27 14  21 o 23.952  8.6836  387.571    290.326  518.348    363.955  158.754    481.423  26.618  9.7114  22.104  9.8683  4.513960       13.84540  
1 1 1 -27 14  22 o 20.421  8.9698  142.479    382.185  142.479    382.185  0.0000     0.0000   20.421  8.9698  ?       ?       0.000000       8.969751  
1 1 1 -27 14  23 o 20.180  8.7293  162.795    350.392  162.795    350.392  0.0000     0.0000   20.180  8.7293  ?       ?       0.000000       8.729317  
1 1 1 -27 15  1  o 16.696  6.9136  56.241     204.315  220.241    255.776  -232.9077  339.623  21.663  8.0984  16.954  7.8424  4.708698       11.27330  
1 1 1 -27 15  2  o 43.989  4.6885  1083.06    219.941  1129.87    276.432  1002.29    363.079  44.544  5.8729  40.884  8.4774  3.659443       10.31298  
1 1 1 -27 15  3  o 56.912  4.0259  1791.93    246.558  1609.02    305.892  2131.14    416.572  53.477  5.3531  61.165  6.3821  -7.687969      8.329832  
1 1 1 -27 15  4  o 33.270  6.4451  644.098    223.858  621.956    281.021  682.544    370.306  32.212  8.0713  33.417  9.6755  -1.205700      12.59998  
1 1 1 -27 15  5  o 102.006 3.4729  5706.67    383.700  5359.51    517.291  6131.30    572.108  98.264  4.8604  105.010 5.0301  -6.746544      6.994668  
1 1 1 -27 15  6  o 14.464  6.6233  -140.7111  233.784  -92.7775   315.190  -199.3333  348.565  17.816  7.9673  17.559  8.0579  0.2570591      11.33169  
1 1 1 -27 15  7  o 3.3386  1.6839  -92.8138   28.536   71.605     237.497  -95.2222   28.745   18.018  7.4568  3.3265  1.6793  14.69117       7.643579  
1 1 1 -27 15  8  o 11.126  2.4626  70.130     28.891   3.0843     223.499  71.269     29.136   16.280  7.0072  11.217  2.4654  5.063682       7.428266  
1 1 1 -27 15  9  o 16.188  6.6504  61.506     187.081  74.779     207.060  2.5145     436.521  17.126  7.0115  22.074  9.6436  -4.947956      11.92309  
1 1 1 -27 15  10 o 27.897  6.9208  462.258    208.112  512.079    234.472  277.309    451.765  29.255  7.3958  26.055  10.469  3.199999       12.81828  
1 1 1 -27 15  11 o 76.822  3.5987  3248.36    299.432  3142.37    345.192  3570.54    601.815  75.206  4.2552  78.430  7.1636  -3.223900      8.332142  
1 1 1 -27 15  12 o 81.251  3.6041  3639.04    317.171  3671.48    368.009  3545.34    625.396  81.260  4.1956  77.664  7.5293  3.596664       8.619391  
1 1 1 -27 15  13 o 84.722  3.4375  3956.42    315.432  3693.24    362.279  4781.19    641.335  81.450  4.1200  90.869  6.5604  -9.419220      7.746788  
1 1 1 -27 15  14 o 72.257  2.9338  2869.43    229.604  3117.27    355.673  2692.36    300.639  74.503  4.4276  69.445  4.0141  5.057587       5.976345  
1 1 1 -27 15  15 o 21.813  1.6844  260.644    39.487   293.991    262.225  259.870    39.942   22.793  8.2543  21.777  1.7071  1.016762       8.428975  
1 1 1 -27 15  16 o 19.734  7.5096  198.110    222.149  307.020    261.288  -85.9517   421.980  22.844  8.2446  19.690  8.9711  3.154741       12.18419  
1 1 1 -27 15  17 o 18.475  7.4846  136.061    232.943  78.240     281.016  263.049    416.453  18.517  7.9106  23.679  9.8432  -5.161840      12.62795  
1 1 1 -27 15  18 o 42.956  2.3547  1016.98    109.138  1409.11    327.102  967.861    115.772  48.131  6.4358  41.833  2.5675  6.297638       6.929069  
1 1 1 -27 15  19 o 28.992  7.5549  548.763    239.627  836.886    340.715  266.752    337.082  34.828  8.9759  22.377  9.0252  12.45086       12.72871  
1 1 1 -27 15  20 o 44.741  5.5509  1202.49    263.214  1193.42    381.806  1210.71    363.361  41.746  8.7252  42.617  8.1693  -0.8712578     11.95271  
1 1 1 -27 15  21 o 24.303  8.5834  403.341    281.699  454.774    347.527  304.804    481.023  25.373  9.4488  23.722  10.245  1.650906       13.93686  
1 1 1 -27 15  22 o 32.204  9.6988  793.120    366.120  793.120    366.120  0.0000     0.0000   32.204  9.6988  ?       ?       0.000000       9.698776  
1 1 1 -27 15  23 o 36.602  9.3349  992.122    371.232  992.122    371.232  0.0000     0.0000   36.602  9.3349  ?       ?       0.000000       9.334888  
1 1 1 -27 16  1  o 95.826  3.3222  5031.16    344.812  4879.59    464.563  5217.08    514.532  93.888  4.5684  96.797  4.9240  -2.908546      6.716825  
1 1 1 -27 16  2  o 47.878  4.6194  1280.08    236.574  1533.05    303.930  891.200    376.836  52.137  5.4633  38.205  9.2137  13.93239       10.71164  
1 1 1 -27 16  3  o 72.380  3.5455  2874.45    277.952  2626.70    349.797  3298.86    457.819  68.692  4.7304  76.638  5.5531  -7.946190      7.294717  
1 1 1 -27 16  4  o 61.540  4.0777  2095.52    270.260  2239.12    348.435  1878.68    428.183  63.239  5.1313  57.045  7.0825  6.193729       8.746011  
1 1 1 -27 16  5  o 58.794  4.4633  1922.11    282.102  2299.24    373.612  1421.94    430.263  63.942  5.4465  48.871  8.4333  15.07133       10.03918  
1 1 1 -27 16  6  o 47.765  4.2753  1269.57    218.838  1318.20    257.394  1142.75    415.686  48.453  4.9753  43.335  9.1439  5.118416       10.40981  
1 1 1 -27 16  7  o 78.187  3.5280  3356.75    298.768  3395.63    344.940  3239.97    597.783  78.358  4.0784  74.737  7.4854  3.620506       8.524347  
1 1 1 -27 16  8  o 86.006  3.3719  4058.26    314.102  3964.16    360.559  4354.49    639.699  84.809  3.9252  87.137  6.8327  -2.328384      7.879954  
1 1 1 -27 16  9  f 98.022  3.3630  5272.75    357.038  5277.07    411.906  5259.70    715.990  97.846  3.8867  95.648  6.9590  2.198013       7.970875  
1 1 1 -27 16  10 o 31.296  6.8690  579.929    226.448  477.666    259.853  902.733    461.676  28.192  8.0884  37.620  10.778  -9.427629      13.47523  
1 1 1 -27 16  11 o 37.026  5.4430  784.920    211.766  786.579    236.274  778.145    477.482  36.806  6.1434  34.910  11.170  1.896198       12.74781  
1 1 1 -27 16  12 o 13.713  6.1696  -75.1049   192.158  -19.9057   213.506  -310.4595  440.864  15.436  6.7440  18.776  8.7696  -3.340016      11.06287  
1 1 1 -27 16  13 o 19.823  7.3132  195.870    207.223  287.686    232.968  -152.0348  453.491  22.629  7.8180  20.416  9.3013  2.212332       12.15055  
1 1 1 -27 16  14 o 20.517  7.6324  214.087    226.637  123.537    264.460  464.482    439.775  19.366  7.9259  28.100  10.596  -8.734329      13.23258  
1 1 1 -27 16  15 o 16.331  6.9738  35.472     218.249  9.8390     256.017  103.635    417.491  17.013  7.4102  22.029  9.5290  -5.016743      12.07112  
1 1 1 -27 16  16 o 18.258  7.3046  137.289    218.868  14.756     256.570  464.756    419.433  16.956  7.4010  27.105  10.318  -10.14830      12.69760  
1 1 1 -27 16  17 o 26.658  7.5898  455.174    229.674  543.774    269.867  222.400    437.423  28.798  8.2368  23.377  9.9250  5.421049       12.89771  
1 1 1 -27 16  18 f 21.517  8.0403  265.344    252.063  370.034    298.675  6.2342     469.881  24.251  8.8052  21.176  9.5763  3.075001       13.00909  
1 1 1 -27 16  19 o 25.591  7.6562  428.289    228.707  256.461    311.109  630.343    337.365  21.865  8.7220  29.877  9.3690  -8.012312      12.80042  
1 1 1 -27 16  20 o 30.313  7.7933  614.091    257.293  583.463    386.186  638.538    345.019  28.138  10.038  29.639  9.4961  -1.501125      13.81797  
1 1 1 -27 16  21 o ?       ?       -282.0448  33.522   644.933    376.223  -289.4630  33.656   29.094  9.9398  ?       ?       0.000000       9.939807  
1 1 1 -27 16  22 o 20.133  8.8926  119.776    380.551  119.776    380.551  0.0000     0.0000   20.133  8.8926  ?       ?       0.000000       8.892646  
1 1 1 -27 17  1  o 35.650  6.6038  740.390    245.600  682.607    310.886  836.328    400.585  33.587  8.5299  36.755  9.8589  -3.167877      13.03678  
1 1 1 -27 17  2  o 58.907  4.4232  1928.43    280.149  1996.87    380.500  1847.41    413.997  59.327  6.0041  56.641  6.8903  2.686691       9.139257  
1 1 1 -27 17  3  o 84.258  3.7311  3901.52    340.501  4211.49    462.822  3535.78    502.733  86.939  4.9354  79.153  5.9066  7.785767       7.697197  
1 1 1 -27 17  4  o 46.393  5.4617  1217.52    269.188  1414.77    363.997  979.434    399.912  49.427  6.9946  39.977  9.3950  9.450157       11.71281  
1 1 1 -27 17  5  o 83.094  3.6996  3794.64    332.966  3883.16    444.022  3680.91    503.300  83.451  4.9344  80.806  5.7889  2.644897       7.606576  
1 1 1 -27 17  6  o 20.617  7.0328  228.726    188.339  294.011    208.717  -57.4799   437.009  22.806  7.3942  21.453  9.4999  1.353127       12.03836  
1 1 1 -27 17  7  o 31.889  6.4199  594.551    214.068  446.531    242.157  1123.86    457.920  27.385  7.7921  42.429  10.109  -15.04423      12.76318  
1 1 1 -27 17  8  o 57.566  4.2036  1840.34    260.284  1869.32    300.219  1752.64    522.300  57.788  4.8411  53.703  9.3173  4.084953       10.49989  
1 1 1 -27 17  9  o 26.611  1.1296  384.070    32.558   10.350     233.701  391.467    32.879   16.733  7.1828  26.866  1.1299  -10.13311      7.271082  
1 1 1 -27 17  10 o 48.085  4.6137  1295.47    237.337  1256.04    269.807  1430.35    499.010  47.059  5.3907  47.919  9.9404  -0.8608246     11.30803  
1 1 1 -27 17  11 o 101.401 3.4925  5656.87    383.581  5695.79    448.370  5550.63    740.784  101.461 4.0801  97.931  7.0308  3.529686       8.128873  
1 1 1 -27 17  12 o 88.563  3.3602  4315.66    322.324  4359.81    369.328  4174.60    660.224  88.801  3.8399  84.428  7.2915  4.372597       8.240806  
1 1 1 -27 17  13 o 23.687  7.6845  329.832    225.400  463.362    258.650  -91.6814   459.544  27.495  8.1225  21.126  9.5196  6.368732       12.51391  
1 1 1 -27 17  14 o 87.261  3.5543  4217.76    335.923  4327.39    389.026  3896.42    666.045  88.077  4.0780  80.322  7.7523  7.755699       8.759439  
1 1 1 -27 17  15 o 81.854  3.4403  3718.26    305.002  3536.05    351.737  4270.53    612.356  79.322  4.1082  84.685  6.7317  -5.363266      7.886269  
1 1 1 -27 17  16 o 41.297  5.3170  998.206    232.297  893.045    268.267  1313.37    464.418  38.205  6.7288  43.709  10.023  -5.504498      12.07258  
1 1 1 -27 17  17 o 12.726  6.0600  -240.4893  229.904  -444.8654  278.364  198.083    407.773  12.593  6.1556  22.617  9.5914  -10.02457      11.39679  
1 1 1 -27 17  18 f 46.706  5.3899  1286.74    267.656  1061.44    315.918  1859.82    503.851  40.958  7.3934  52.601  9.1776  -11.64287      11.78520  
1 1 1 -27 17  19 o 37.653  1.5785  773.390    64.373   223.737    330.996  794.997    65.626   21.530  8.8457  38.174  1.5872  -16.64323      8.986969  
1 1 1 -27 17  20 o 51.473  4.8954  1555.77    269.631  1848.89    382.099  1265.04    380.539  54.498  6.6085  43.291  8.4189  11.20644       10.70279  
1 1 1 -27 17  21 o 25.278  9.4345  451.514    346.857  451.514    346.857  0.0000     0.0000   25.278  9.4345  ?       ?       0.000000       9.434477  
1 1 1 -27 17  22 o 44.633  8.1457  1355.61    379.272  1355.61    379.272  0.0000     0.0000   44.633  8.1457  ?       ?       0.000000       8.145722  
1 1 1 -27 18  1  f 37.048  6.0462  790.304    234.242  945.720    301.314  552.907    372.399  40.158  7.1916  30.421  9.8778  9.736998       12.21842  
1 1 1 -27 18  2  o 62.999  3.9336  2193.33    267.069  2342.79    343.579  1965.17    424.518  64.753  4.9361  58.447  6.8351  6.305767       8.431083  
1 1 1 -27 18  3  o 108.979 3.3805  6510.90    399.021  6403.72    542.283  6637.45    589.238  107.493 4.6578  109.259 4.9792  -1.766098      6.818178  
1 1 1 -27 18  4  o 66.892  4.0436  2474.56    291.589  2434.57    384.866  2528.45    446.762  65.796  5.4496  66.674  6.2598  -0.8782578     8.299626  
1 1 1 -27 18  5  o 36.613  5.5976  766.107    214.924  656.357    263.129  986.101    372.539  33.214  7.4927  40.344  8.7754  -7.129559      11.53898  
1 1 1 -27 18  6  o 36.610  5.7229  768.124    219.500  751.916    249.280  824.060    463.094  35.886  6.6586  36.189  10.910  -0.3028145     12.78134  
1 1 1 -27 18  7  o 20.695  7.3050  222.962    204.005  337.352    229.924  -200.3154  442.285  24.221  7.7512  20.034  9.1499  4.186665       11.99173  
1 1 1 -27 18  8  o 15.131  6.5153  -0.7472    193.384  9.3904     215.778  -42.1237   435.930  16.123  6.9109  21.543  9.5165  -5.420334      11.76115  
1 1 1 -27 18  9  o 42.443  5.0952  1018.54    229.544  1094.42    261.363  762.583    480.029  43.816  5.6382  34.799  11.206  9.017048       12.54490  
1 1 1 -27 18  10 o 35.720  5.9147  737.182    220.821  638.320    249.626  1092.92    473.520  32.724  7.2352  41.425  10.531  -8.701710      12.77676  
1 1 1 -27 18  11 o 88.560  3.5255  4317.28    338.160  4243.35    392.488  4530.25    666.164  87.530  4.1400  88.400  7.0152  -0.8703613     8.145723  
1 1 1 -27 18  12 o 54.771  2.6433  1640.94    156.806  1786.83    320.772  1595.14    179.747  56.076  5.3461  53.817  3.0968  2.259758       6.178264  
1 1 1 -27 18  13 f 51.698  4.7878  1511.76    265.047  1532.43    309.635  1455.09    512.682  51.644  5.6266  47.335  10.293  4.309753       11.73069  
1 1 1 -27 18  14 o 44.841  5.2515  1157.24    250.220  1163.48    287.856  1137.94    506.148  44.502  6.1352  40.586  11.165  3.915375       12.73929  
1 1 1 -27 18  15 o 33.371  6.5799  676.193    229.373  606.443    265.720  880.117    454.348  30.898  7.9072  35.359  10.838  -4.461626      13.41559  
1 1 1 -27 18  16 o 20.149  7.1310  231.563    194.531  93.483     247.202  456.145    315.263  18.029  7.5465  26.517  9.0984  -8.488497      11.82074  
1 1 1 -27 18  17 o 34.163  6.7104  721.613    239.437  813.683    281.982  483.670    453.312  35.795  7.5127  27.305  10.638  8.490244       13.02370  
1 1 1 -27 18  18 f 25.737  7.9730  432.276    245.157  329.268    288.097  702.645    466.749  23.255  8.6143  30.722  11.027  -7.467361      13.99314  
1 1 1 -27 18  19 o 40.776  6.1271  1014.51    262.230  923.683    384.785  1093.28    358.325  35.900  9.6765  40.412  8.4579  -4.512272      12.85188  
1 1 1 -27 18  20 o 23.180  8.1112  350.626    251.155  61.073     374.348  587.651    338.695  19.657  8.7441  28.479  9.4287  -8.822351      12.85919  
1 1 1 -27 18  21 f 16.137  7.5434  -154.2964  327.281  -154.2964  327.281  0.0000     0.0000   16.137  7.5434  ?       ?       0.000000       7.543388  
1 1 1 -27 18  22 o 16.499  7.6819  -126.4408  334.105  -126.4408  334.105  0.0000     0.0000   16.499  7.6819  ?       ?       0.000000       7.681878  
1 1 1 -27 19  1  o 64.916  3.9682  2330.06    277.671  2301.18    357.571  2373.94    440.706  64.044  5.1997  64.495  6.3931  -0.4508820     8.240695  
1 1 1 -27 19  2  o 54.983  4.3347  1680.52    256.049  1750.87    336.719  1584.08    394.268  55.634  5.6672  52.239  7.1564  3.394135       9.128572  
1 1 1 -27 19  3  o 96.512  3.4998  5111.74    365.843  4950.70    487.216  5319.91    553.944  94.329  4.7845  97.520  5.2640  -3.191521      7.113394  
1 1 1 -27 19  4  o 35.433  5.5409  717.713    205.684  612.696    242.664  985.679    387.628  32.176  7.1488  40.185  9.1153  -8.009411      11.58426  
1 1 1 -27 19  5  o 31.172  6.5920  570.071    215.605  667.733    245.266  237.974    452.281  33.675  6.9548  25.608  10.409  8.066879       12.51904  
1 1 1 -27 19  6  o 63.823  3.8075  2249.60    262.004  2195.77    299.167  2426.81    542.776  62.840  4.4237  64.299  7.9642  -1.458660      9.110297  
1 1 1 -27 19  7  o 16.149  6.8217  30.017     204.980  97.231     232.113  -208.1134  436.893  18.351  7.4581  19.817  9.0672  -1.465805      11.74042  
1 1 1 -27 19  8  o 49.813  4.3125  1382.56    230.377  1372.45    259.343  1420.38    501.645  49.426  4.9094  47.804  10.010  1.622658       11.14874  
1 1 1 -27 19  9  f 24.567  2.5290  332.749    66.333   783.033    254.902  300.042    68.699   36.572  6.6812  23.270  2.7809  13.30241       7.236858  
1 1 1 -27 19  10 o 52.960  4.6753  1571.56    265.428  1500.89    309.348  1768.78    516.789  51.353  5.6555  53.842  9.1918  -2.488819      10.79231  
1 1 1 -27 19  11 o 48.787  4.9558  1343.88    258.240  1365.85    299.193  1279.72    511.370  48.845  5.7666  44.523  10.730  4.322250       12.18175  
1 1 1 -27 19  12 o 12.206  5.8734  -313.8932  228.611  -407.6641  268.324  -65.5662   436.654  12.830  6.2196  21.000  9.3852  -8.170325      11.25904  
1 1 1 -27 19  13 o 16.219  6.9861  12.885     222.493  137.891    255.640  -377.5624  451.800  19.513  7.8633  18.310  8.6532  1.203001       11.69224  
1 1 1 -27 19  14 o 56.479  4.6970  1810.29    284.720  1824.89    336.061  1773.15    535.961  56.179  5.5975  52.159  9.8481  4.020218       11.32768  
1 1 1 -27 19  15 o 62.854  4.2943  2234.61    290.597  2233.68    345.933  2236.84    535.639  62.249  5.1778  59.356  8.5809  2.893726       10.02203  
1 1 1 -27 19  16 o 37.850  6.8581  882.198    270.797  1283.99    334.640  119.934    460.923  45.726  6.9778  22.542  9.8771  23.18481       12.09329  
1 1 1 -27 19  17 o 18.541  7.3386  154.588    218.666  -114.7406  307.619  429.670    310.887  16.528  7.5793  25.753  9.0236  -9.224365      11.78436  
1 1 1 -27 19  18 o 29.678  7.7936  576.551    253.734  517.780    308.031  700.600    447.518  27.596  8.9848  30.721  10.822  -3.124445      14.06566  
1 1 1 -27 19  19 o 30.046  7.4947  589.683    243.089  753.789    343.776  425.570    343.784  32.639  9.2832  25.297  9.4022  7.341751       13.21288  
1 1 1 -27 19  20 o 42.857  2.3414  1015.28    108.270  1116.25    363.100  1005.43    113.430  40.401  8.5637  42.599  2.4690  -2.198196      8.912532  
1 1 1 -27 19  21 o 34.074  9.4341  858.394    360.058  858.394    360.058  0.0000     0.0000   34.074  9.4341  ?       ?       0.000000       9.434087  
1 1 1 -27 19  22 o 24.337  9.3953  412.228    351.052  412.228    351.052  0.0000     0.0000   24.337  9.3953  ?       ?       0.000000       9.395328  
1 1 1 -27 20  1  o 61.678  4.1756  2109.38    277.306  2224.20    349.185  1913.29    456.305  62.961  5.1661  57.249  7.5426  5.711872       9.142198  
1 1 1 -27 20  2  o 32.194  7.1407  613.604    242.474  363.827    293.967  1145.23    428.869  25.539  8.7844  43.217  9.4274  -17.67853      12.88572  
1 1 1 -27 20  3  o 76.567  3.7727  3224.77    312.870  3007.45    408.880  3531.75    485.970  73.273  5.1856  79.161  5.7063  -5.887779      7.710474  
1 1 1 -27 20  4  o 96.329  3.2464  5084.01    338.709  5228.42    387.343  4614.81    698.183  97.532  3.6667  89.483  7.2665  8.049026       8.139207  
1 1 1 -27 20  5  o 126.586 3.2897  8783.25    451.032  8846.09    518.273  8587.11    915.624  126.798 3.7738  122.500 6.9294  4.297844       7.890365  
1 1 1 -27 20  6  o 67.485  2.7335  2487.35    199.799  2640.97    301.688  2367.33    266.660  69.079  4.0499  65.484  3.7757  3.595749       5.536922  
1 1 1 -27 20  7  o 34.897  1.3751  660.929    51.972   313.226    232.324  679.247    53.324   23.563  7.8093  35.376  1.3917  -11.81283      7.932384  
1 1 1 -27 20  8  f 75.978  3.5262  3172.00    290.183  3170.05    331.762  3178.35    598.663  75.674  4.0626  73.834  7.5944  1.840767       8.612754  
1 1 1 -27 20  9  o 44.574  4.8264  1117.96    229.292  1091.78    259.014  1212.80    492.973  43.768  5.5916  43.727  10.534  0.4123688E-01  11.92589  
1 1 1 -27 20  10 o 19.651  7.4143  177.005    215.386  171.448    245.035  195.890    451.718  20.191  7.8341  24.770  10.270  -4.579004      12.91709  
1 1 1 -27 20  11 o 41.332  5.6627  981.167    246.834  1121.07    285.621  568.442    490.579  44.006  6.1614  30.909  11.275  13.09772       12.84888  
1 1 1 -27 20  12 o 69.971  3.9121  2719.93    295.296  2544.56    342.883  3223.45    581.014  67.277  4.7357  73.942  7.3522  -6.665123      8.745429  
1 1 1 -27 20  13 o 66.551  2.7780  2429.89    200.243  2468.51    331.081  2407.61    251.446  66.171  4.6490  65.895  3.5360  0.2762985      5.840957  
1 1 1 -27 20  14 f 48.354  4.7660  1332.84    246.362  1424.95    311.584  1179.22    402.397  49.350  5.9493  42.903  8.9491  6.446613       10.74618  
1 1 1 -27 20  15 o 40.895  2.1448  917.448    94.671   915.975    321.691  917.588    99.057   37.931  8.0777  40.873  2.2462  -2.941391      8.384175  
1 1 1 -27 20  16 o 63.460  4.2201  2284.57    288.407  2302.84    341.216  2238.87    539.686  63.118  5.0330  58.739  8.7500  4.378910       10.09423  
1 1 1 -27 20  17 o 18.754  7.5907  144.591    239.354  93.324     288.523  257.750    428.655  18.891  8.0415  23.676  9.9255  -4.784719      12.77421  
1 1 1 -27 20  18 o 40.654  6.3633  1011.53    271.004  1162.39    330.362  701.137    473.869  42.819  7.3904  30.546  11.091  12.27341       13.32763  
1 1 1 -27 20  19 o 18.141  7.8113  77.939     277.977  301.742    340.132  -372.1965  482.376  22.901  9.1247  17.995  8.6256  4.905891       12.55633  
1 1 1 -27 20  20 o 34.995  8.0616  825.659    299.270  778.981    370.854  912.808    506.733  32.365  9.7644  33.047  11.524  -0.6815758     15.10433  
1 1 1 -27 20  21 o 35.550  9.3814  929.385    366.483  929.385    366.483  0.0000     0.0000   35.550  9.3814  ?       ?       0.000000       9.381389  
1 1 1 -27 20  22 o 17.551  7.9635  -17.4390   328.126  -17.4390   328.126  0.0000     0.0000   17.551  7.9635  ?       ?       0.000000       7.963514  
1 1 1 -27 21  1  o 66.405  3.9520  2438.45    282.960  1924.26    354.530  3340.76    469.650  58.304  5.6866  76.964  5.6740  -18.65978      8.033167  
1 1 1 -27 21  2  o 54.121  4.4720  1632.10    259.794  1711.69    323.300  1487.04    436.472  55.049  5.4958  49.955  8.3625  5.094028       10.00676  
1 1 1 -27 21  3  o 83.175  3.1514  3788.19    283.905  3654.54    337.421  4112.16    525.346  81.484  3.8232  85.423  5.7110  -3.939255      6.872590  
1 1 1 -27 21  4  o 50.676  4.1187  1426.03    224.111  1443.44    250.771  1356.97    499.488  50.831  4.6048  46.704  10.163  4.127907       11.15761  
1 1 1 -27 21  5  o 67.639  3.7796  2525.19    275.788  2642.18    316.880  2159.84    559.990  69.019  4.2597  60.058  8.8761  8.961288       9.845366  
1 1 1 -27 21  6  o 93.197  3.2612  4761.08    329.192  4650.47    375.275  5130.30    685.645  91.923  3.7693  94.705  6.7280  -2.782478      7.711934  
1 1 1 -27 21  7  o 67.549  3.6391  2516.02    265.262  2441.02    300.361  2781.83    565.468  66.334  4.2023  68.994  7.6984  -2.659302      8.770636  
1 1 1 -27 21  8  o 25.298  7.4133  377.735    216.228  504.955    245.598  -60.8001   455.983  29.013  7.6911  21.770  9.6688  7.243298       12.35471  
1 1 1 -27 21  9  o 56.608  2.5207  1748.89    154.549  1736.90    289.552  1753.66    182.759  55.644  4.8530  56.519  2.9962  -0.8752060     5.703381  
1 1 1 -27 21  10 o 45.364  4.8768  1160.80    235.854  1176.57    267.669  1106.07    498.788  45.411  5.5582  41.305  10.966  4.105759       12.29399  
1 1 1 -27 21  11 o 63.407  2.8266  2201.74    194.123  2340.81    336.358  2132.28    237.706  64.525  4.8483  62.106  3.5485  2.419163       6.008178  
1 1 1 -27 21  12 o 47.054  4.9685  1256.46    249.385  1104.80    286.032  1737.19    509.239  43.523  6.2468  52.790  9.2432  -9.266773      11.15615  
1 1 1 -27 21  13 o 49.759  5.0575  1412.95    268.781  1451.81    315.291  1309.64    514.168  49.976  5.9412  44.126  10.837  5.849972       12.35890  
1 1 1 -27 21  14 o 43.999  5.5482  1126.56    258.526  912.718    300.380  1737.52    507.730  38.484  7.4759  51.835  9.3892  -13.35142      12.00198  
1 1 1 -27 21  15 o 34.914  6.7633  747.091    246.519  703.337    288.954  864.110    472.550  33.046  8.1290  34.563  11.118  -1.516411      13.77252  
1 1 1 -27 21  16 o 18.754  7.7947  116.499    261.103  52.106     327.016  229.748    433.674  19.195  8.3675  23.499  9.9242  -4.303608      12.98091  
1 1 1 -27 21  17 o 21.758  8.1631  268.819    260.332  383.924    324.818  62.084     435.311  24.782  9.1534  21.289  9.4516  3.492704       13.15742  
1 1 1 -27 21  18 f 41.096  6.7774  1048.65    291.151  970.024    365.981  1184.19    480.523  37.602  9.0873  39.798  10.850  -2.195908      14.15259  
1 1 1 -27 21  19 o 43.571  6.2663  1166.17    287.214  1331.09    349.605  823.758    503.748  45.669  7.3147  31.959  11.458  13.70945       13.59355  
1 1 1 -27 21  20 o 46.659  8.0100  1445.15    390.219  1445.15    390.219  0.0000     0.0000   46.659  8.0100  ?       ?       0.000000       8.009959  
1 1 1 -27 21  21 o 22.975  9.4798  317.905    382.179  317.905    382.179  0.0000     0.0000   22.975  9.4798  ?       ?       0.000000       9.479849  
1 1 1 -27 21  22 o 12.889  6.3628  -544.2767  321.687  -544.2767  321.687  0.0000     0.0000   12.889  6.3628  ?       ?       0.000000       6.362821  
1 1 1 -27 22  1  o 61.853  4.1734  2122.14    277.951  2383.78    347.082  1654.34    464.101  65.266  4.9467  52.677  8.4177  12.58847       9.763599  
1 1 1 -27 22  2  o 53.549  3.6515  1583.36    210.516  1650.13    244.186  1390.07    415.447  54.515  4.1672  48.311  8.2349  6.203514       9.229217  
1 1 1 -27 22  3  o 65.290  3.6411  2350.11    256.460  2296.50    286.138  2569.10    578.272  64.377  4.1254  65.973  8.2748  -1.595428      9.246145  
1 1 1 -27 22  4  o 96.396  3.1786  5089.92    331.868  5030.81    376.999  5293.38    699.503  95.667  3.6384  96.205  6.7559  -0.5383911     7.673344  
1 1 1 -27 22  5  o 119.790 3.2843  7866.78    426.124  7940.48    489.026  7634.32    868.541  120.124 3.7587  115.387 6.9825  4.736458       7.929872  
1 1 1 -27 22  6  o 61.515  3.8864  2092.81    257.610  2128.55    293.251  1972.02    539.145  61.858  4.4057  57.234  8.9939  4.624619       10.01505  
1 1 1 -27 22  7  o 45.454  4.8878  1162.17    236.851  1178.31    269.865  1108.02    494.191  45.517  5.5915  41.685  10.843  3.831875       12.19978  
1 1 1 -27 22  8  o 41.501  5.5654  982.260    243.862  976.963    282.094  997.928    485.122  40.995  6.5754  39.470  10.959  1.525410       12.78006  
1 1 1 -27 22  9  o 41.802  5.5134  996.947    243.537  1019.51    280.230  927.323    492.292  41.940  6.3693  37.890  11.209  4.049503       12.89257  
1 1 1 -27 22  10 f 64.086  3.9873  2279.30    275.393  2118.97    316.353  2780.96    559.598  61.453  4.7908  68.715  7.6487  -7.262417      9.025172  
1 1 1 -27 22  11 o 101.544 3.4849  5680.94    383.283  6221.72    447.342  4187.88    743.302  106.042 3.8949  83.611  8.3184  22.43145       9.185050  
1 1 1 -27 22  12 o 49.324  4.7926  1376.45    252.802  1434.33    290.178  1194.20    514.943  50.058  5.4395  42.244  11.107  7.814861       12.36765  
1 1 1 -27 22  13 o 32.392  7.3929  644.444    253.655  712.608    298.215  466.102    482.369  33.678  8.2424  28.412  11.001  5.266212       13.74599  
1 1 1 -27 22  14 o 69.781  3.9442  2729.05    296.881  2851.08    343.934  2372.35    588.028  70.973  4.4974  60.751  9.2267  10.22169       10.26446  
1 1 1 -27 22  15 o 24.842  7.8899  388.350    238.573  421.314    275.095  288.340    479.163  25.725  8.4965  25.001  10.488  0.7240047      13.49791  
1 1 1 -27 22  16 o 48.508  5.3010  1374.53    273.976  1238.88    327.990  1687.68    498.347  44.885  6.9729  50.128  9.5270  -5.242668      11.80616  
1 1 1 -27 22  17 o 40.221  2.5587  894.533    110.887  1356.82    318.945  830.971    118.265  47.300  6.3892  38.666  2.8439  8.633587       6.993560  
1 1 1 -27 22  18 o 33.315  7.6180  719.405    268.902  723.747    329.573  710.757    465.086  32.348  9.0508  30.718  11.010  1.629782       14.25234  
1 1 1 -27 22  19 o 17.696  7.7475  43.624     283.082  -343.6375  373.463  566.606    433.998  15.813  7.5822  27.836  10.519  -12.02308      12.96704  
1 1 1 -27 22  20 o 27.572  9.7014  558.173    359.537  558.173    359.537  0.0000     0.0000   27.572  9.7014  ?       ?       0.000000       9.701434  
1 1 1 -27 22  21 o 17.346  7.8354  -12.8187   313.519  -12.8187   313.519  0.0000     0.0000   17.346  7.8354  ?       ?       0.000000       7.835440  
1 1 1 -27 22  22 o 24.842  9.3025  439.092    337.767  439.092    337.767  0.0000     0.0000   24.842  9.3025  ?       ?       0.000000       9.302527  
1 1 1 -27 23  1  o 37.485  6.6460  819.803    259.954  880.902    312.132  681.485    469.636  38.434  7.7653  33.289  11.107  5.145374       13.55200  
1 1 1 -27 23  2  o 33.887  5.3366  656.025    189.390  755.624    216.736  334.345    389.506  36.296  5.7010  26.128  9.9435  10.16789       11.46190  
1 1 1 -27 23  3  o 91.807  3.2481  4619.46    322.975  4530.58    363.609  4951.79    703.092  90.759  3.6989  92.805  7.0473  -2.046028      7.959074  
1 1 1 -27 23  4  o 118.511 3.2868  7699.90    421.897  7641.23    483.450  7887.31    864.020  117.822 3.7884  117.432 6.8225  0.3909149      7.803762  
1 1 1 -27 23  5  o 114.839 3.2144  7226.94    399.814  7256.00    456.868  7131.93    826.224  114.864 3.6723  111.591 6.8693  3.273315       7.789314  
1 1 1 -27 23  6  f 89.626  3.2956  4405.15    319.918  4524.69    363.896  3998.34    671.320  90.684  3.7049  82.939  7.5560  7.745483       8.415418  
1 1 1 -27 23  7  o 53.824  4.2748  1612.02    247.158  1792.60    281.310  1000.82    517.542  56.651  4.6251  39.378  11.449  17.27274       12.34799  
1 1 1 -27 23  8  o 76.907  3.6139  3253.71    301.031  3332.23    346.951  3014.58    605.481  77.536  4.1464  71.592  7.9423  5.943977       8.959524  
1 1 1 -27 23  9  o 31.176  8.3556  593.084    287.872  563.552    362.043  643.853    474.694  30.373  9.7272  32.366  11.161  -1.993061      14.80492  
1 1 1 -27 23  10 f 51.034  4.5604  1460.79    249.425  1477.26    284.294  1405.72    519.796  51.058  5.2140  46.851  10.503  4.206787       11.72594  
1 1 1 -27 23  11 o 68.129  2.8271  2543.02    208.615  2466.05    335.913  2591.35    266.166  66.264  4.7111  68.438  3.6034  -2.174263      5.931188  
1 1 1 -27 23  12 o 31.116  7.5229  592.558    250.738  673.373    293.772  375.729    481.199  32.887  8.2588  27.298  10.861  5.589281       13.64402  
1 1 1 -27 23  13 o 25.192  7.7315  388.751    231.143  350.714    265.127  509.250    471.893  24.314  8.3436  28.944  10.961  -4.629728      13.77566  
1 1 1 -27 23  14 o 14.992  6.7631  -73.9193   232.712  -36.5266   270.560  -180.2303  456.204  16.706  7.4324  19.694  9.1026  -2.988029      11.75149  
1 1 1 -27 23  15 o 42.127  5.9623  1056.13    264.449  1069.07    310.904  1022.29    502.904  41.605  7.1574  37.182  11.403  4.423115       13.46314  
1 1 1 -27 23  16 o 35.131  7.3941  778.732    272.447  772.625    334.214  790.829    470.387  33.905  8.9643  32.798  11.115  1.107483       14.27926  
1 1 1 -27 23  17 o 18.594  7.5515  140.433    237.750  146.130    282.729  126.677    439.326  19.618  8.1290  22.053  9.6536  -2.435255      12.62030  
1 1 1 -27 23  18 o 27.103  8.3726  492.142    270.567  554.528    336.405  377.858    455.317  28.213  9.3995  25.278  10.379  2.935780       14.00246  
1 1 1 -27 23  19 o 38.815  7.1931  963.717    291.268  906.497    367.142  1060.89    478.447  35.656  9.3804  36.698  11.095  -1.041668      14.52906  
1 1 1 -27 23  20 o 43.512  7.9743  1260.60    361.963  1260.60    361.963  0.0000     0.0000   43.512  7.9743  ?       ?       0.000000       7.974269  
1 1 1 -27 23  21 o 24.644  9.4028  423.582    348.858  423.582    348.858  0.0000     0.0000   24.644  9.4028  ?       ?       0.000000       9.402785  
1 1 1 -27 23  22 f 25.865  9.5579  491.096    354.241  491.096    354.241  0.0000     0.0000   25.865  9.5579  ?       ?       0.000000       9.557880  
1 1 1 -27 24  1  o 16.738  6.5598  103.305    173.133  86.073     191.230  181.638    407.720  16.883  6.8018  23.890  9.8167  -7.007338      11.94286  
1 1 1 -27 24  2  o 16.493  6.6649  78.794     184.213  77.561     200.777  85.355     463.155  16.995  6.9250  23.678  10.137  -6.683527      12.27620  
1 1 1 -27 24  3  o 36.882  5.4770  776.723    212.148  779.654    233.156  762.624    511.402  36.748  6.0699  34.913  11.587  1.834354       13.08075  
1 1 1 -27 24  4  o 19.030  7.1463  164.274    199.607  115.471    220.470  386.145    470.085  18.409  7.3427  28.084  10.864  -9.675016      13.11231  
1 1 1 -27 24  5  o 63.998  3.7321  2261.17    257.575  2271.72    291.363  2223.44    551.057  63.976  4.2287  61.090  8.5636  2.885735       9.550781  
1 1 1 -27 24  6  o 65.273  3.7983  2353.80    267.369  2188.22    304.267  2914.98    560.156  62.673  4.5125  70.815  7.4131  -8.141865      8.678499  
1 1 1 -27 24  7  o 37.081  5.3643  784.194    209.186  844.169    232.209  525.947    481.853  38.355  5.7682  30.462  11.165  7.893124       12.56703  
1 1 1 -27 24  8  o 58.553  2.6959  1873.35    170.969  2172.37    301.448  1731.55    207.585  62.415  4.4892  56.038  3.4368  6.377087       5.653684  
1 1 1 -27 24  9  o 87.107  3.4653  4173.36    326.931  4234.54    375.499  3981.67    664.649  87.537  3.9605  82.492  7.5216  5.044075       8.500565  
1 1 1 -27 24  10 o 29.561  7.3042  526.798    232.508  463.087    265.891  733.806    479.283  27.636  8.2523  33.834  11.217  -6.198082      13.92541  
1 1 1 -27 24  11 o 25.923  8.0110  404.641    247.673  285.849    290.471  721.023    474.042  23.370  8.6511  33.366  11.159  -9.996004      14.11934  
1 1 1 -27 24  12 o 72.258  3.7638  2902.29    293.543  3043.00    337.044  2460.27    597.365  73.742  4.2377  62.842  9.0364  10.89997       9.980727  
1 1 1 -27 24  13 o 61.576  4.1637  2129.72    276.059  2121.09    317.653  2156.36    558.027  61.070  4.8421  58.259  9.1445  2.810242       10.34737  
1 1 1 -27 24  14 o 25.085  7.9209  393.129    240.722  619.646    279.169  -263.5575  475.330  31.066  8.1830  19.330  9.0534  11.73633       12.20350  
1 1 1 -27 24  15 o 23.040  8.1029  320.154    250.789  295.767    295.481  382.978    474.266  22.902  8.6737  26.165  10.650  -3.263216      13.73543  
1 1 1 -27 24  16 o 34.065  7.2794  730.832    260.431  1083.60    311.851  -82.2349   473.444  41.766  7.1509  20.577  9.4237  21.18915       11.82966  
1 1 1 -27 24  17 o 44.766  5.7821  1195.99    273.800  1095.28    329.292  1421.57    492.839  41.480  7.6100  44.614  10.392  -3.134350      12.88075  
1 1 1 -27 24  18 f 20.876  8.1198  235.580    263.726  312.887    326.843  91.332     446.462  23.117  9.0259  21.508  9.5593  1.608841       13.14714  
1 1 1 -27 24  19 o 15.530  7.1086  -87.1025   268.951  -183.2992  343.670  64.911     432.019  16.436  7.6980  20.744  9.2983  -4.307838      12.07137  
1 1 1 -27 24  20 o 16.943  7.6524  -27.3581   298.955  -27.3581   298.955  0.0000     0.0000   16.943  7.6524  ?       ?       0.000000       7.652418  
1 1 1 -27 24  21 o 31.669  9.3066  741.109    340.345  741.109    340.345  0.0000     0.0000   31.669  9.3066  ?       ?       0.000000       9.306565  
1 1 1 -27 25  1  o 22.763  7.4019  293.817    209.080  333.257    228.282  88.528     520.821  24.069  7.7257  24.804  10.686  -0.7351551     13.18640  
1 1 1 -27 25  2  o 17.919  6.8039  138.688    182.110  130.593    197.531  184.543    470.141  18.126  7.0336  25.091  10.447  -6.965263      12.59385  
1 1 1 -27 25  3  o 37.525  5.5735  805.164    219.647  829.159    243.582  700.749    508.116  37.885  6.1468  33.752  11.551  4.133389       13.08498  
1 1 1 -27 25  4  o 77.110  3.3940  3263.15    283.463  3153.83    318.849  3675.29    619.092  75.549  3.9100  79.713  7.2499  -4.164055      8.237047  
1 1 1 -27 25  5  o 45.268  4.5084  1146.41    218.104  1055.88    243.333  1516.32    491.881  43.157  5.3182  49.762  9.4723  -6.604576      10.86314  
1 1 1 -27 25  6  o 76.634  3.5180  3226.87    292.006  3344.15    333.583  2842.42    603.985  77.764  3.9738  69.386  8.1950  8.378693       9.107670  
1 1 1 -27 25  7  o 119.897 3.3395  7889.88    433.675  7932.88    498.972  7757.10    876.866  119.966 3.8401  116.114 7.0052  3.852570       7.988679  
1 1 1 -27 25  8  o 37.860  5.9473  827.548    235.838  663.813    269.499  1362.93    487.324  33.213  7.6494  46.664  9.9461  -13.45033      12.54744  
1 1 1 -27 25  9  o 28.234  8.8582  482.073    301.539  351.954    388.870  678.299    477.543  26.199  9.9437  32.897  11.199  -6.698593      14.97628  
1 1 1 -27 25  10 o 84.172  3.4346  3901.15    313.123  3908.32    357.627  3877.59    648.131  84.036  3.9291  81.217  7.4510  2.819534       8.423506  
1 1 1 -27 25  11 o 67.441  4.0764  2534.93    296.360  2371.77    344.678  2997.58    580.413  64.793  4.9489  70.932  7.6774  -6.138344      9.134221  
1 1 1 -27 25  12 o 38.508  6.2113  873.984    250.248  836.794    289.788  983.054    496.276  37.019  7.4847  37.854  11.267  -0.8344536     13.52692  
1 1 1 -27 25  13 o 40.652  5.9102  971.778    252.607  1095.16    292.517  609.900    500.969  42.857  6.5061  30.522  11.349  12.33522       13.08151  
1 1 1 -27 25  14 o 21.963  8.0529  271.711    250.700  319.634    295.034  147.222    475.517  23.530  8.7171  23.311  10.126  0.2187805      13.36155  
1 1 1 -27 25  15 o 69.328  4.2371  2723.75    316.637  2733.48    373.691  2698.98    596.213  68.821  5.0485  64.656  8.7376  4.165146       10.09124  
1 1 1 -27 25  16 o 49.216  5.1745  1411.87    271.701  1529.81    319.681  1105.00    515.640  50.703  5.9334  38.228  11.509  12.47537       12.94881  
1 1 1 -27 25  17 o 17.275  7.3321  72.446     238.604  119.614    284.681  -38.9255   437.447  19.150  8.0615  20.132  9.1577  -0.9820004     12.20052  
1 1 1 -27 25  18 o 19.958  7.9621  195.529    259.277  236.417    319.623  116.846    443.383  21.612  8.7632  21.716  9.5949  -0.1036472     12.99443  
1 1 1 -27 25  19 o 26.863  8.8448  501.944    298.197  501.944    298.197  0.0000     0.0000   26.863  8.8448  ?       ?       0.000000       8.844820  
1 1 1 -27 25  20 o 25.226  9.3392  444.921    338.530  444.921    338.530  0.0000     0.0000   25.226  9.3392  ?       ?       0.000000       9.339215  
1 1 1 -27 25  21 o 20.011  8.7471  126.843    359.582  126.843    359.582  0.0000     0.0000   20.011  8.7471  ?       ?       0.000000       8.747147  
1 1 1 -27 26  1  o 23.108  7.3982  305.567    209.445  302.618    228.580  320.999    522.922  23.214  7.7486  27.783  11.229  -4.569147      13.64267  
1 1 1 -27 26  2  o 20.430  6.9673  225.447    184.845  214.109    200.328  290.400    479.493  20.369  7.2336  26.725  10.769  -6.356356      12.97317  
1 1 1 -27 26  3  o 20.949  7.2546  234.544    200.659  281.584    219.863  0.0073     490.935  22.540  7.5991  23.218  10.183  -0.6779690     12.70597  
1 1 1 -27 26  4  o 24.723  7.1585  359.702    202.700  305.880    221.974  629.875    497.331  23.243  7.6301  32.422  11.410  -9.178108      13.72593  
1 1 1 -27 26  5  o 40.561  5.3680  935.347    230.034  1025.11    261.844  631.777    481.527  42.304  5.8731  32.360  11.236  9.944408       12.67865  
1 1 1 -27 26  6  o 41.487  5.2023  975.679    228.624  1089.87    258.844  570.522    487.572  43.736  5.5923  31.263  11.265  12.47313       12.57713  
1 1 1 -27 26  7  o 16.686  6.7229  84.750     186.835  146.571    204.737  -223.0959  456.872  18.671  7.1843  20.087  9.2206  -1.416208      11.68903  
1 1 1 -27 26  8  o 42.634  5.5140  1037.77    248.654  1124.92    286.526  771.925    500.435  44.145  6.1604  34.762  11.459  9.382740       13.00968  
1 1 1 -27 26  9  o 72.810  3.6719  2930.89    288.638  3029.25    329.715  2608.27    597.135  73.821  4.1404  65.775  8.5867  8.045792       9.532829  
1 1 1 -27 26  10 o 34.365  1.4362  641.478    53.458   305.124    262.823  655.994    54.599   23.479  8.2910  34.751  1.4506  -11.27163      8.416968  
1 1 1 -27 26  11 o 19.696  7.5182  179.088    223.091  90.918     254.039  476.264    466.388  18.587  7.7039  28.773  10.897  -10.18543      13.34538  
1 1 1 -27 26  12 o 29.490  7.3281  534.869    233.036  493.046    266.837  669.290    478.380  28.079  8.2373  31.820  11.191  -3.741533      13.89578  
1 1 1 -27 26  13 o 26.852  7.6863  451.277    234.901  334.280    269.618  819.843    478.542  23.795  8.3981  34.170  11.202  -10.37503      14.00076  
1 1 1 -27 26  14 o 65.186  4.1470  2399.70    291.266  2356.06    336.587  2529.82    581.176  64.083  4.8862  62.756  8.7915  1.326378       10.05814  
1 1 1 -27 26  15 o 59.618  4.5225  2028.90    289.853  1926.13    338.474  2311.52    561.298  57.377  5.5145  59.537  8.9839  -2.159885      10.54135  
1 1 1 -27 26  16 o 58.716  2.2659  1891.41    144.104  1189.06    328.780  2058.42    160.324  43.713  7.1946  61.198  2.4187  -17.48541      7.590301  
1 1 1 -27 26  17 o 31.657  7.5526  647.035    255.345  676.752    303.963  575.780    470.679  31.656  8.6289  28.539  10.914  3.116526       13.91306  
1 1 1 -27 26  18 o 20.688  7.8355  242.564    241.137  50.712     283.985  738.360    456.524  17.889  7.7978  31.017  10.930  -13.12758      13.42643  
1 1 1 -27 26  19 o 16.593  7.6268  -95.2685   313.993  -95.2685   313.993  0.0000     0.0000   16.593  7.6268  ?       ?       0.000000       7.626766  
1 1 1 -27 26  20 o 32.676  9.1475  774.059    336.560  774.059    336.560  0.0000     0.0000   32.676  9.1475  ?       ?       0.000000       9.147502  
1 1 1 -27 26  21 o 30.704  9.3236  698.316    337.325  698.316    337.325  0.0000     0.0000   30.704  9.3236  ?       ?       0.000000       9.323622  
1 1 1 -27 27  1  o 40.200  6.4432  937.712    271.064  940.307    311.691  929.659    549.089  39.813  7.5035  37.872  11.963  1.940269       14.12181  
1 1 1 -27 27  2  o 53.297  4.5158  1585.80    258.229  1603.23    294.046  1527.04    539.883  53.354  5.1525  49.325  10.432  4.029282       11.63467  
1 1 1 -27 27  3  f 91.285  3.3164  4571.33    327.902  4588.54    370.112  4508.52    707.028  91.297  3.7429  88.127  7.4778  3.169876       8.362221  
1 1 1 -27 27  4  o 60.336  3.8514  2013.80    250.375  2128.85    278.058  1520.77    575.606  61.932  4.1695  48.766  11.142  13.16646       11.89625  
1 1 1 -27 27  5  o 38.309  5.4648  837.643    220.318  990.362    247.495  254.574    483.591  41.649  5.6308  26.242  10.726  15.40699       12.11446  
1 1 1 -27 27  6  o 59.673  4.0426  1975.40    259.737  1964.24    296.671  2012.01    537.527  59.274  4.6586  57.755  8.8770  1.518581       10.02512  
1 1 1 -27 27  7  o 9.2094  2.9001  45.845     32.287   156.857    240.442  43.806     32.583   19.768  7.7351  9.0671  2.9196  10.70071       8.267765  
1 1 1 -27 27  8  o 82.636  3.4262  3755.80    306.656  4045.92    349.029  2773.81    642.127  85.633  3.7631  67.634  8.9883  17.99918       9.744238  
1 1 1 -27 27  9  o 42.811  5.1901  1043.05    235.738  943.294    266.562  1401.10    505.013  40.219  6.3283  46.869  10.235  -6.649296      12.03344  
1 1 1 -27 27  10 o 44.779  5.3639  1146.74    254.977  1240.29    295.018  870.595    506.893  46.283  6.0281  36.143  11.503  10.14093       12.98668  
1 1 1 -27 27  11 o 44.316  5.4842  1131.08    257.615  1151.60    297.632  1069.80    514.381  44.267  6.3930  39.561  11.389  4.705639       13.06035  
1 1 1 -27 27  12 o 20.722  1.7677  235.581    39.297   243.245    276.245  235.423    39.700   21.946  8.3687  20.713  1.7871  1.233383       8.557363  
1 1 1 -27 27  13 o 25.687  2.0922  362.930    57.703   572.900    289.871  354.266    58.881   29.791  8.5416  25.363  2.1642  4.428501       8.811483  
1 1 1 -27 27  14 o 19.469  7.8240  159.362    252.327  294.472    298.180  -181.4327  473.566  22.965  8.7095  19.860  9.2128  3.104458       12.67799  
1 1 1 -27 27  15 o 19.969  7.8976  186.310    253.061  405.283    298.287  -376.0665  478.028  25.295  8.8402  18.326  8.7299  6.969053       12.42418  
1 1 1 -27 27  16 o 44.877  5.5712  1190.84    264.969  1363.63    307.311  690.166    523.099  47.685  6.0892  30.652  11.557  17.03274       13.06309  
1 1 1 -27 27  17 f 25.779  8.1411  436.029    254.285  480.072    304.332  334.163    462.832  26.722  8.9407  24.857  10.358  1.865318       13.68339  
1 1 1 -27 27  18 o 44.506  5.9919  1202.01    281.501  1282.75    339.152  1023.19    504.716  44.980  7.2047  35.705  11.490  9.274853       13.56219  
1 1 1 -27 27  19 o 61.256  6.0348  2284.45    395.190  2284.45    395.190  0.0000     0.0000   61.256  6.0348  ?       ?       0.000000       6.034797  
1 1 1 -27 27  20 o 30.493  9.5118  692.903    348.244  692.903    348.244  0.0000     0.0000   30.493  9.5118  ?       ?       0.000000       9.511819  
1 1 1 -27 27  21 o 27.620  9.3217  562.467    330.849  562.467    330.849  0.0000     0.0000   27.620  9.3217  ?       ?       0.000000       9.321725  
1 1 1 -27 28  1  o 17.497  7.2660  64.358     226.600  62.102     252.072  73.856     517.294  18.211  7.6214  24.514  10.605  -6.302305      13.05973  
1 1 1 -27 28  2  o 63.957  5.5432  2312.10    380.196  2454.41    504.755  2125.48    578.018  64.945  7.3023  59.134  9.3345  5.811234       11.85145  
1 1 1 -27 28  3  o 49.454  4.1424  1360.53    219.839  1319.59    240.350  1570.20    543.869  48.541  4.6276  50.038  10.376  -1.497429      11.36081  
1 1 1 -27 28  4  o 61.314  3.8130  2079.12    251.964  2228.27    279.695  1436.85    580.392  63.383  4.0961  47.095  11.482  16.28841       12.19083  
1 1 1 -27 28  5  o 54.719  4.2118  1665.84    247.702  1746.38    281.250  1387.35    522.972  55.858  4.6922  46.782  10.570  9.075874       11.56495  
1 1 1 -27 28  6  o 22.250  7.1859  282.049    197.268  281.609    218.275  284.009    460.865  22.468  7.5716  26.220  10.561  -3.752634      12.99461  
1 1 1 -27 28  7  o 58.418  4.1070  1897.36    258.211  1948.30    293.832  1724.68    541.045  58.993  4.6360  52.621  9.8552  6.372169       10.89114  
1 1 1 -27 28  8  o 50.720  4.3940  1439.64    239.002  1442.86    268.656  1427.41    523.320  50.553  4.9708  47.209  10.505  3.343880       11.62199  
1 1 1 -27 28  9  o 48.147  4.7014  1306.33    242.041  1313.83    273.929  1279.61    516.890  48.012  5.3591  44.232  10.867  3.779938       12.11689  
1 1 1 -27 28  10 o 9.6983  2.8577  52.416     32.053   127.832    322.194  51.662     32.212   20.905  8.6712  9.6433  2.8707  11.26157       9.134075  
1 1 1 -27 28  11 o 14.168  6.4067  -84.3942   210.248  -86.3528   235.774  -76.7899   464.571  15.053  6.7976  21.213  9.5640  -6.159802      11.73362  
1 1 1 -27 28  12 o 27.855  7.4378  481.442    228.619  603.517    260.073  66.351     479.571  31.061  7.7545  22.811  10.033  8.249842       12.68044  
1 1 1 -27 28  13 o 40.987  5.7974  990.701    250.185  766.641    287.318  1693.37    508.809  34.847  7.8063  50.611  9.6340  -15.76390      12.39965  
1 1 1 -27 28  14 o 17.182  7.2091  75.146     226.447  -26.4871   258.134  414.561    471.729  16.381  7.2751  26.661  10.703  -10.27989      12.94186  
1 1 1 -27 28  15 f 42.568  2.4670  999.087    113.256  1284.05    295.625  950.068    122.611  46.395  6.0252  41.418  2.7488  4.977665       6.622634  
1 1 1 -27 28  16 o 41.293  6.2153  1031.22    269.362  977.191    315.191  1177.56    518.716  39.120  7.7131  39.369  11.467  -0.2498093     13.81926  
1 1 1 -27 28  17 o 24.969  8.3044  407.103    262.627  476.536    318.549  259.752    464.056  26.576  9.1441  23.848  10.176  2.728096       13.68093  
1 1 1 -27 28  18 o 17.752  7.4129  107.242    237.732  119.091    278.150  75.123     457.933  18.823  7.9486  21.362  9.5744  -2.538511      12.44383  
1 1 1 -27 28  19 o 20.218  8.3638  188.565    298.602  188.565    298.602  0.0000     0.0000   20.218  8.3638  ?       ?       0.000000       8.363831  
1 1 1 -27 28  20 o 24.212  9.0376  399.107    318.304  399.107    318.304  0.0000     0.0000   24.212  9.0376  ?       ?       0.000000       9.037582  
1 1 1 -27 28  21 o 25.255  9.9297  452.305    397.857  452.305    397.857  0.0000     0.0000   25.255  9.9297  ?       ?       0.000000       9.929714  
1 1 1 -27 29  1  o 27.429  6.4912  444.660    189.838  374.984    202.854  935.936    538.648  25.155  7.1228  37.883  11.832  -12.72797      13.81032  
1 1 1 -27 29  2  o 24.193  8.1118  331.935    250.520  204.218    286.340  748.761    517.290  21.798  8.4656  34.491  11.656  -12.69390      14.40576  
1 1 1 -27 29  3  o 16.170  6.9154  14.426     215.189  5.7451     240.241  49.660     483.993  16.846  7.2577  23.569  10.227  -6.723368      12.54090  
1 1 1 -27 29  4  o 47.103  4.4837  1241.62    225.984  1192.88    248.462  1475.02    543.711  45.954  5.0767  48.165  10.700  -2.210991      11.84372  
1 1 1 -27 29  5  o 71.544  3.6372  2824.92    280.918  3110.72    320.283  1871.96    584.856  74.956  3.9592  54.698  10.249  20.25811       10.98686  
1 1 1 -27 29  6  o 18.717  7.0788  157.340    196.636  220.393    217.973  -118.2464  455.703  20.793  7.5263  21.040  9.4804  -0.2465363     12.10471  
1 1 1 -27 29  7  f 39.197  5.5681  881.432    229.745  848.149    259.913  1000.36    491.310  38.048  6.5430  39.149  11.085  -1.100979      12.87193  
1 1 1 -27 29  8  o 81.498  3.3602  3653.74    296.612  3713.91    334.553  3432.68    641.246  82.003  3.7667  76.067  7.8984  5.936394       8.750560  
1 1 1 -27 29  9  o 24.987  7.7702  372.543    232.595  411.699    266.516  247.421    476.423  26.182  8.3417  25.593  10.574  0.5896988      13.46834  
1 1 1 -27 29  10 o 61.231  4.1161  2094.97    271.392  1996.57    310.114  2416.81    560.871  59.410  4.8620  62.886  8.4481  -3.476219      9.747289  
1 1 1 -27 29  11 o 72.994  3.9521  2974.52    311.285  2917.53    361.714  3137.23    611.192  71.864  4.6725  71.799  7.9952  0.6512451E-01  9.260386  
1 1 1 -27 29  12 o 16.797  7.0832  56.175     220.395  6.2597     249.619  232.693    469.413  16.785  7.3138  24.572  10.348  -7.787191      12.67199  
1 1 1 -27 29  13 o 24.746  7.9922  382.289    244.018  294.487    282.833  637.951    482.626  22.858  8.5217  30.469  11.173  -7.611605      14.05191  
1 1 1 -27 29  14 o 26.183  8.0100  438.266    248.326  439.121    288.389  435.816    488.377  26.145  8.7025  27.081  10.884  -0.9357910     13.93547  
1 1 1 -27 29  15 o 18.934  7.8449  124.168    263.291  53.516     315.820  285.172    476.755  18.958  8.2440  24.741  10.425  -5.783213      13.29047  
1 1 1 -27 29  16 o 32.957  2.3242  599.441    82.430   894.630    296.292  574.677    85.818   37.453  7.5645  32.224  2.4778  5.229313       7.959954  
1 1 1 -27 29  17 o 55.164  5.0629  1778.63    299.126  1854.97    357.432  1600.19    546.456  55.506  6.0430  46.353  11.042  9.153328       12.58749  
1 1 1 -27 29  18 o 50.020  6.8096  1562.52    359.333  1562.52    359.333  0.0000     0.0000   50.020  6.8096  ?       ?       0.000000       6.809555  
1 1 1 -27 29  19 o 34.065  9.0910  826.798    341.666  826.798    341.666  0.0000     0.0000   34.065  9.0910  ?       ?       0.000000       9.091029  
1 1 1 -27 29  20 o 25.231  9.5717  447.341    360.206  447.341    360.206  0.0000     0.0000   25.231  9.5717  ?       ?       0.000000       9.571697  
1 1 1 -27 29  21 o 30.087  10.249  709.566    399.956  709.566    399.956  0.0000     0.0000   30.087  10.249  ?       ?       0.000000       10.24867  
1 1 1 -27 30  1  o 74.711  3.4026  3067.66    275.336  3016.41    302.986  3310.65    659.717  73.859  3.8004  74.622  8.3032  -0.7635040     9.131586  
1 1 1 -27 30  2  o 70.280  3.4616  2715.45    263.495  2566.25    290.202  3415.90    628.805  68.060  3.9538  76.296  7.7154  -8.236229      8.669450  
1 1 1 -27 30  3  o 32.273  8.9186  641.433    322.120  652.706    414.849  624.315    511.184  32.405  10.416  32.209  11.543  0.1965027      15.54746  
1 1 1 -27 30  4  o 51.431  4.2152  1473.97    232.749  1528.17    256.454  1220.78    554.282  52.244  4.5783  43.108  11.611  9.136456       12.48140  
1 1 1 -27 30  5  o 14.921  6.5490  -30.5365   203.402  -109.6993  228.090  276.915    449.505  14.604  6.6312  25.885  10.428  -11.28135      12.35819  
1 1 1 -27 30  6  o 54.638  2.6017  1631.27    153.966  1898.57    280.189  1515.64    184.282  58.281  4.4728  52.436  3.2609  5.845215       5.535293  
1 1 1 -27 30  7  o 41.746  5.3926  995.533    238.127  961.312    270.265  1114.30    503.488  40.617  6.3515  41.255  11.047  -0.6377754     12.74313  
1 1 1 -27 30  8  o 18.369  7.3144  122.600    218.436  115.636    247.046  147.553    467.623  18.968  7.6997  24.182  10.264  -5.213984      12.83107  
1 1 1 -27 30  9  o 19.372  7.6085  153.669    233.359  167.085    269.541  113.519    466.295  20.469  8.1331  23.600  10.139  -3.131149      12.99775  
1 1 1 -27 30  10 o 17.631  1.6520  170.581    31.179   -80.4445   264.507  174.118    31.398   16.098  7.2410  17.815  1.6458  -1.717176      7.425715  
1 1 1 -27 30  11 o 56.099  4.7727  1787.90    287.237  1712.62    336.483  1990.10    551.473  54.297  5.8119  55.705  9.4799  -1.407513      11.11966  
1 1 1 -27 30  12 f 16.613  7.2295  9.3404     243.206  54.243     284.115  -113.7782  470.456  18.456  7.9211  20.625  9.4264  -2.169001      12.31262  
1 1 1 -27 30  13 o 30.839  7.0571  591.451    230.621  602.633    260.357  550.715    496.931  30.743  7.8050  29.004  11.184  1.739044       13.63781  
1 1 1 -27 30  14 o 48.464  5.0498  1360.31    261.177  1481.02    299.245  974.365    535.092  50.228  5.5958  35.878  11.850  14.34930       13.10465  
1 1 1 -27 30  15 o 31.225  7.5074  621.875    250.770  740.808    289.341  262.866    502.704  33.812  8.0216  24.702  10.567  9.110643       13.26695  
1 1 1 -27 30  16 o 26.009  8.2179  442.888    259.080  410.822    303.732  528.534    496.388  25.197  8.9113  27.958  11.060  -2.760721      14.20317  
1 1 1 -27 30  17 o 12.369  2.5782  87.453     33.421   -227.6525  322.739  90.869     33.601   15.608  7.3570  12.620  2.5461  2.988220       7.785142  
1 1 1 -27 30  18 o 44.768  7.2968  1280.26    341.624  1280.26    341.624  0.0000     0.0000   44.768  7.2968  ?       ?       0.000000       7.296774  
1 1 1 -27 30  19 o 22.926  9.2075  314.229    349.214  314.229    349.214  0.0000     0.0000   22.926  9.2075  ?       ?       0.000000       9.207484  
1 1 1 -27 30  20 o 34.196  10.614  927.863    434.202  927.863    434.202  0.0000     0.0000   34.196  10.614  ?       ?       0.000000       10.61353  
1 1 1 -27 31  1  o 16.449  6.6123  84.786     180.288  60.267     191.577  274.639    533.089  16.255  6.7098  27.063  11.184  -10.80822      13.04219  
1 1 1 -27 31  2  o 48.955  4.2534  1337.77    223.290  1374.65    243.058  1138.29    565.244  49.514  4.5843  41.371  11.947  8.142799       12.79619  
1 1 1 -27 31  3  o 22.637  7.8712  280.462    236.336  195.112    268.431  574.728    498.427  21.190  8.2058  31.209  11.368  -10.01862      14.02029  
1 1 1 -27 31  4  o 37.356  7.1735  828.708    279.690  981.015    329.164  433.171    530.451  40.429  7.7996  29.234  11.475  11.19478       13.87456  
1 1 1 -27 31  5  o 32.611  6.1840  622.436    210.434  674.821    234.536  406.138    476.578  33.815  6.6407  28.181  10.928  5.633488       12.78750  
1 1 1 -27 31  6  o 56.172  4.2152  1759.32    254.587  1694.82    289.292  1980.80    536.070  54.843  4.9226  56.949  8.9892  -2.105705      10.24882  
1 1 1 -27 31  7  o 86.118  3.4202  4083.00    319.022  4179.54    363.848  3762.04    663.451  86.934  3.8642  79.710  7.7840  7.224129       8.690369  
1 1 1 -27 31  8  o 85.215  3.5786  4008.00    330.294  4191.01    380.197  3444.88    666.911  86.915  4.0387  75.659  8.2732  11.25579       9.206362  
1 1 1 -27 31  9  o 25.979  7.3334  409.667    215.374  385.474    240.465  507.783    484.252  25.281  7.9070  29.397  11.111  -4.116163      13.63729  
1 1 1 -27 31  10 o 31.910  7.0128  618.588    235.764  615.614    268.709  628.533    491.410  31.448  7.8994  31.190  11.299  0.2583542      13.78645  
1 1 1 -27 31  11 o 33.187  6.7889  668.510    235.798  592.707    267.790  930.115    497.476  30.664  7.9845  36.345  11.374  -5.681549      13.89654  
1 1 1 -27 31  12 o 52.391  4.7839  1570.73    268.465  1554.28    309.208  1621.13    541.092  51.598  5.6239  48.601  10.579  2.997089       11.98133  
1 1 1 -27 31  13 o 22.247  7.8378  291.838    234.745  232.425    268.572  484.132    483.172  21.275  8.2166  27.846  10.944  -6.570539      13.68553  
1 1 1 -27 31  14 o 53.478  4.8258  1646.03    276.510  1681.46    319.206  1539.54    553.440  53.530  5.5879  46.165  11.186  7.364628       12.50394  
1 1 1 -27 31  15 f 32.226  7.8134  670.122    269.895  841.791    319.175  239.357    505.596  35.816  8.3770  24.412  10.523  11.40479       13.45016  
1 1 1 -27 31  16 o 50.300  5.1265  1478.85    275.390  1576.14    317.890  1186.23    551.318  51.423  5.8095  38.710  11.950  12.71251       13.28775  
1 1 1 -27 31  17 o 44.502  6.3389  1213.33    296.903  1243.41    355.140  1143.51    541.096  43.859  7.7599  37.511  11.879  6.348190       14.18887  
1 1 1 -27 31  18 o 16.638  7.5861  -69.4745   302.434  -69.4745   302.434  0.0000     0.0000   16.638  7.5861  ?       ?       0.000000       7.586070  
1 1 1 -27 31  19 o 17.114  8.2094  -343.1088  438.816  -343.1088  438.816  0.0000     0.0000   17.114  8.2094  ?       ?       0.000000       8.209446  
1 1 1 -27 31  20 o 38.058  9.7295  1071.69    402.600  1071.69    402.600  0.0000     0.0000   38.058  9.7295  ?       ?       0.000000       9.729495  
1 1 1 -27 32  1  o 66.203  3.5204  2420.05    251.522  2479.15    274.773  2114.55    624.756  66.900  3.8078  57.874  10.347  9.026215       11.02506  
1 1 1 -27 32  2  o 54.787  3.9663  1668.08    233.770  1579.60    255.523  2122.35    578.991  53.119  4.4832  58.710  9.4240  -5.590988      10.43600  
1 1 1 -27 32  3  o 39.625  4.9309  890.081    207.047  838.204    225.281  1172.20    525.356  38.188  5.6142  42.262  11.270  -4.074314      12.59120  
1 1 1 -27 32  4  o 78.324  4.0926  3406.05    345.983  3350.14    407.622  3550.11    654.356  77.270  4.8958  77.454  7.9112  -0.1841278     9.303527  
1 1 1 -27 32  5  o 50.109  4.4480  1406.68    238.896  1277.83    268.917  1889.03    520.316  47.398  5.3308  55.617  8.9403  -8.219738      10.40898  
1 1 1 -27 32  6  o 35.422  6.0086  730.609    222.283  881.442    249.432  148.672    489.939  38.936  6.1164  24.636  10.483  14.29921       12.13674  
1 1 1 -27 32  7  o 16.326  6.9373  30.145     214.028  54.311     241.988  -56.6755   458.674  17.643  7.4302  21.570  9.6310  -3.926861      12.16403  
1 1 1 -27 32  8  o 30.177  7.1274  551.106    229.243  501.087    258.828  733.152    493.780  28.538  8.0335  33.469  11.388  -4.930885      13.93606  
1 1 1 -27 32  9  o 51.825  4.5423  1515.58    252.394  1588.49    286.509  1262.92    533.325  52.809  5.0715  43.051  11.296  9.757870       12.38230  
1 1 1 -27 32  10 o 12.490  5.8649  -181.6397  201.696  -297.1960  224.049  312.350    463.238  12.106  5.8226  25.823  10.520  -13.71724      12.02402  
1 1 1 -27 32  11 o 23.355  7.3702  331.201    208.434  450.812    258.802  110.392    351.634  26.761  8.1756  20.872  8.8810  5.888937       12.07117  
1 1 1 -27 32  12 o 31.943  7.4004  639.220    251.019  626.526    289.569  677.601    503.520  31.092  8.4000  31.183  11.416  -0.9043884E-01 14.17315  
1 1 1 -27 32  13 o 47.354  2.4940  1235.11    127.463  1456.81    281.245  1177.80    142.992  50.062  5.2658  46.111  2.8775  3.951263       6.000681  
1 1 1 -27 32  14 o 81.689  3.7047  3733.54    327.786  3798.25    377.908  3536.97    658.649  81.863  4.2770  74.632  8.2881  7.230667       9.326582  
1 1 1 -27 32  15 o 42.689  5.6224  1080.46    253.634  1168.61    289.448  788.900    526.400  43.991  6.2507  32.244  11.692  11.74697       13.25817  
1 1 1 -27 32  16 o 47.916  5.9174  1376.36    300.576  1456.05    359.643  1191.74    547.404  48.347  7.0777  38.782  11.897  9.564728       13.84338  
1 1 1 -27 32  17 o 29.714  9.2416  621.433    329.010  621.433    329.010  0.0000     0.0000   29.714  9.2416  ?       ?       0.000000       9.241578  
1 1 1 -27 32  18 o 31.811  9.7462  744.807    367.488  744.807    367.488  0.0000     0.0000   31.811  9.7462  ?       ?       0.000000       9.746211  
1 1 1 -27 32  19 o 30.300  10.016  699.186    382.243  699.186    382.243  0.0000     0.0000   30.300  10.016  ?       ?       0.000000       10.01579  
1 1 1 -27 32  20 o 33.550  10.599  894.490    431.006  894.490    431.006  0.0000     0.0000   33.550  10.599  ?       ?       0.000000       10.59939  
1 1 1 -27 33  1  o 27.764  6.3919  457.179    188.232  440.222    200.705  581.025    542.409  27.129  6.8339  31.402  11.783  -4.272968      13.62106  
1 1 1 -27 33  2  o 64.491  3.5986  2299.44    250.364  2323.57    272.548  2169.08    633.540  64.712  3.9069  58.556  10.369  6.155342       11.08032  
1 1 1 -27 33  3  o 18.743  6.9764  166.316    189.403  199.297    204.628  -30.9038   500.391  19.942  7.2809  22.814  10.131  -2.871250      12.47577  
1 1 1 -27 33  4  f 27.081  7.9662  443.074    249.263  614.287    283.536  -139.4883  523.012  31.646  8.2040  22.183  10.061  9.462994       12.98177  
1 1 1 -27 33  5  o 34.581  5.8986  695.588    213.008  677.853    236.937  770.320    486.386  33.812  6.7066  34.469  11.294  -0.6571846     13.13478  
1 1 1 -27 33  6  o 61.340  4.0032  2093.68    264.503  2241.15    300.727  1589.78    555.897  63.291  4.4145  49.539  10.675  13.75232       11.55194  
1 1 1 -27 33  7  o 73.026  3.5934  2945.24    284.217  2984.80    322.328  2807.00    602.555  73.204  4.0815  68.106  8.3430  5.098587       9.287840  
1 1 1 -27 33  8  o 61.410  4.1454  2108.72    274.111  2128.08    313.141  2045.22    566.964  61.396  4.7459  56.896  9.5380  4.499973       10.65347  
1 1 1 -27 33  9  o 77.261  3.6115  3307.29    302.220  3219.41    344.105  3603.78    632.065  75.819  4.2068  77.418  7.6374  -1.599731      8.719333  
1 1 1 -27 33  10 f 12.319  5.8306  -210.4758  206.536  -290.2202  230.674  111.863    463.772  12.403  5.9502  23.075  10.012  -10.67175      11.64677  
1 1 1 -27 33  11 o 44.616  5.3729  1156.64    254.416  1192.67    291.569  1041.70    520.829  44.851  6.1651  37.898  11.601  6.952682       13.13778  
1 1 1 -27 33  12 o 41.770  5.6052  1025.38    247.191  1170.44    280.505  521.180    522.958  44.435  5.9801  28.705  11.353  15.73023       12.83169  
1 1 1 -27 33  13 o 17.374  7.4315  52.515     248.575  169.494    289.617  -274.7198  484.395  20.381  8.3124  19.291  9.0683  1.090214       12.30166  
1 1 1 -27 33  14 o 21.853  7.9428  276.678    243.125  81.874     278.386  902.865    499.116  18.547  7.8971  34.725  11.443  -16.17821      13.90382  
1 1 1 -27 33  15 o 48.556  2.4500  1299.98    128.434  1357.70    314.954  1288.47    140.661  47.394  6.2910  48.247  2.7026  -0.8526573     6.846933  
1 1 1 -27 33  16 o 15.110  6.9420  -111.0682  259.759  -111.0682  259.759  0.0000     0.0000   15.110  6.9420  ?       ?       0.000000       6.941998  
1 1 1 -27 33  17 o 43.723  6.7563  1192.09    309.638  1192.09    309.638  0.0000     0.0000   43.723  6.7563  ?       ?       0.000000       6.756270  
1 1 1 -27 33  18 o 20.401  8.7007  157.622    338.922  157.622    338.922  0.0000     0.0000   20.401  8.7007  ?       ?       0.000000       8.700703  
1 1 1 -27 33  19 o 45.088  9.2064  1434.56    434.392  1434.56    434.392  0.0000     0.0000   45.088  9.2064  ?       ?       0.000000       9.206388  
1 1 1 -27 33  20 o 33.466  10.023  855.369    391.778  855.369    391.778  0.0000     0.0000   33.466  10.023  ?       ?       0.000000       10.02253  
1 1 1 -27 34  1  o 59.633  3.5302  1967.23    226.997  1872.04    244.583  2558.68    609.656  58.028  3.9144  64.681  8.9414  -6.653671      9.760748  
1 1 1 -27 34  2  o 54.293  3.8721  1638.43    226.209  1673.53    243.515  1417.52    610.964  54.777  4.1349  45.683  12.140  9.093506       12.82518  
1 1 1 -27 34  3  o 17.368  6.8017  117.287    186.030  231.494    200.435  -592.6542  499.733  20.720  7.2463  18.081  8.6961  2.638844       11.31952  
1 1 1 -27 34  4  o 101.589 3.7601  5703.41    413.729  5862.93    488.810  5300.46    776.887  102.622 4.3977  94.787  7.6320  7.835747       8.808349  
1 1 1 -27 34  5  f 75.452  4.1972  3172.31    341.651  3253.57    406.445  2976.61    630.724  75.994  4.9653  70.167  8.4705  5.826385       9.818582  
1 1 1 -27 34  6  o 53.944  4.1915  1627.11    242.970  1881.48    273.158  663.310    531.706  57.946  4.3848  32.396  11.750  25.54993       12.54188  
1 1 1 -27 34  7  o 26.774  7.1408  434.965    210.888  285.012    234.228  1076.89    484.624  22.518  7.8357  40.144  10.876  -17.62593      13.40462  
1 1 1 -27 34  8  o 34.491  6.2323  704.131    224.249  750.553    251.002  520.519    499.189  35.370  6.7989  29.530  11.252  5.840359       13.14685  
1 1 1 -27 34  9  o 55.638  4.4390  1747.09    265.271  1821.04    302.166  1498.51    553.981  56.515  4.9875  46.852  11.089  9.663559       12.15919  
1 1 1 -27 34  10 o 49.986  4.7919  1426.44    256.251  1520.06    291.424  1107.28    538.051  51.314  5.3208  39.193  11.747  12.12050       12.89603  
1 1 1 -27 34  11 o 32.547  1.9003  580.092    66.698   613.499    243.985  577.394    69.340   31.349  7.3187  32.455  1.9821  -1.105709      7.582302  
1 1 1 -27 34  12 o 23.147  1.7886  293.984    44.494   319.597    252.701  293.165    45.200   23.115  8.1333  23.109  1.8206  0.5451202E-02  8.334572  
1 1 1 -27 34  13 o 16.989  7.3127  39.101     243.442  -39.6866   281.107  275.429    486.858  16.840  7.5280  24.872  10.510  -8.031132      12.92797  
1 1 1 -27 34  14 o 38.814  6.1943  908.851    251.650  862.273    287.429  1061.78    520.820  36.987  7.4327  37.390  11.627  -0.4032135     13.79986  
1 1 1 -27 34  15 o 21.009  8.1155  235.051    262.053  235.051    262.053  0.0000     0.0000   21.009  8.1155  ?       ?       0.000000       8.115544  
1 1 1 -27 34  16 o 52.280  6.7515  1687.79    373.370  1687.79    373.370  0.0000     0.0000   52.280  6.7515  ?       ?       0.000000       6.751476  
1 1 1 -27 34  17 o 26.891  9.0015  499.615    308.481  499.615    308.481  0.0000     0.0000   26.891  9.0015  ?       ?       0.000000       9.001464  
1 1 1 -27 34  18 o 14.369  6.9760  -419.3868  340.818  -419.3868  340.818  0.0000     0.0000   14.369  6.9760  ?       ?       0.000000       6.975978  
1 1 1 -27 34  19 o 18.812  8.6131  -42.3017   395.179  -42.3017   395.179  0.0000     0.0000   18.812  8.6131  ?       ?       0.000000       8.613148  
1 1 1 -27 35  1  o 70.510  3.2367  2735.31    247.186  2686.95    267.289  3021.02    649.675  69.687  3.5530  70.397  8.7062  -0.7096863     9.403331  
1 1 1 -27 35  2  o 34.394  5.4711  683.413    196.984  625.649    209.943  1108.46    569.497  32.613  6.1694  40.251  12.090  -7.637280      13.57349  
1 1 1 -27 35  3  o 86.793  3.2101  4142.46    301.768  4038.75    335.757  4578.28    688.299  85.522  3.6248  88.300  7.2612  -2.778557      8.115688  
1 1 1 -27 35  4  o 71.537  3.4212  2820.46    265.082  2694.11    292.137  3409.35    630.706  69.640  3.8886  75.643  7.8106  -6.003662      8.725048  
1 1 1 -27 35  5  o 29.614  9.7193  546.211    360.182  819.870    514.014  282.212    504.859  35.078  11.616  26.388  10.893  8.689327       15.92383  
1 1 1 -27 35  6  o 19.304  7.2421  179.058    204.899  96.345     227.866  528.451    468.325  17.983  7.3581  29.646  10.983  -11.66359      13.21983  
1 1 1 -27 35  7  o 34.142  6.0206  686.087    214.501  629.169    238.041  931.924    494.706  32.236  7.0168  36.969  11.305  -4.732422      13.30557  
1 1 1 -27 35  8  o 88.399  3.3827  4318.89    323.878  4149.47    367.562  4907.25    684.970  86.344  3.9303  91.070  6.9978  -4.726280      8.025994  
1 1 1 -27 35  9  o 56.977  4.2319  1827.90    259.291  1921.21    292.760  1488.35    558.458  58.173  4.6862  46.334  11.242  11.83904       12.18005  
1 1 1 -27 35  10 o 46.233  4.9269  1227.73    242.918  1153.61    273.069  1508.84    531.814  44.308  5.8318  46.835  10.716  -2.526741      12.20006  
1 1 1 -27 35  11 o 14.319  6.5341  -100.3089  224.965  -76.7130   255.466  -181.8013  474.759  15.647  7.0699  19.969  9.2493  -4.321634      11.64188  
1 1 1 -27 35  12 o 43.828  5.5552  1127.00    257.788  1226.76    295.129  805.914    529.476  45.363  6.1667  33.147  11.761  12.21528       13.27977  
1 1 1 -27 35  13 o 48.387  5.2107  1362.16    268.776  1552.26    309.307  776.055    543.119  51.380  5.6515  32.381  11.856  18.99900       13.13394  
1 1 1 -27 35  14 o 24.901  8.5604  395.184    279.149  395.184    279.149  0.0000     0.0000   24.901  8.5604  ?       ?       0.000000       8.560421  
1 1 1 -27 35  15 o 17.660  7.7045  34.799     277.737  34.799     277.737  0.0000     0.0000   17.660  7.7045  ?       ?       0.000000       7.704509  
1 1 1 -27 35  16 f 18.357  7.9114  75.325     285.677  75.325     285.677  0.0000     0.0000   18.357  7.9114  ?       ?       0.000000       7.911448  
1 1 1 -27 35  17 o 16.196  7.2578  -26.4466   263.016  -26.4466   263.016  0.0000     0.0000   16.196  7.2578  ?       ?       0.000000       7.257845  
1 1 1 -27 35  18 f 24.586  9.1984  406.658    330.101  406.658    330.101  0.0000     0.0000   24.586  9.1984  ?       ?       0.000000       9.198355  
1 1 1 -27 35  19 o 21.709  9.3608  199.400    400.321  199.400    400.321  0.0000     0.0000   21.709  9.3608  ?       ?       0.000000       9.360807  
1 1 1 -27 36  1  o 19.926  6.7494  220.770    173.453  235.541    183.181  92.672     539.436  20.509  6.9361  24.557  10.725  -4.047688      12.77212  
1 1 1 -27 36  2  o 51.853  3.9599  1500.05    220.716  1404.67    237.142  2117.84    603.543  49.986  4.4259  57.657  10.029  -7.671783      10.96195  
1 1 1 -27 36  3  o 41.240  4.8109  965.892    210.851  978.088    229.398  899.486    535.274  41.328  5.2426  36.417  11.843  4.911404       12.95191  
1 1 1 -27 36  4  f 15.108  6.3947  28.299     180.699  49.191     193.192  -117.7372  510.782  15.973  6.6774  21.904  9.9374  -5.930907      11.97247  
1 1 1 -27 36  5  o 22.321  2.5254  276.004    59.981   615.275    277.897  259.426    61.429   31.477  8.1030  21.600  2.6835  9.877083       8.535832  
1 1 1 -27 36  6  o 18.444  7.0240  155.784    194.443  129.680    213.088  285.674    475.321  18.270  7.2402  25.813  10.602  -7.543423      12.83851  
1 1 1 -27 36  7  o 26.484  1.9240  384.323    54.813   488.643    228.689  377.965    56.458   28.183  7.3980  26.251  2.0008  1.932316       7.663815  
1 1 1 -27 36  8  o 16.529  6.8896  63.554     204.823  -1.2677    226.854  349.510    476.467  16.014  6.9753  26.446  10.708  -10.43211      12.77931  
1 1 1 -27 36  9  o 23.936  7.5386  349.912    218.156  272.287    243.179  669.935    493.759  22.033  7.9535  31.426  11.335  -9.392685      13.84694  
1 1 1 -27 36  10 o 22.090  7.3255  291.427    204.417  234.545    224.780  563.391    491.504  20.767  7.6236  29.389  11.173  -8.622009      13.52632  
1 1 1 -27 36  11 o 20.669  7.4053  240.383    210.399  297.082    232.402  -17.2290   495.377  22.400  7.8045  21.849  9.8610  0.5516109      12.57576  
1 1 1 -27 36  12 o 52.901  4.5640  1598.65    258.948  1528.48    292.706  1851.28    555.422  51.228  5.3545  52.094  10.209  -0.8655396     11.52796  
1 1 1 -27 36  13 o 38.933  7.1296  940.690    289.562  940.690    289.562  0.0000     0.0000   38.933  7.1296  ?       ?       0.000000       7.129558  
1 1 1 -27 36  14 o 15.847  7.0265  -19.7284   239.856  -19.7284   239.856  0.0000     0.0000   15.847  7.0265  ?       ?       0.000000       7.026518  
1 1 1 -27 36  15 o 25.765  9.1336  436.863    319.251  436.863    319.251  0.0000     0.0000   25.765  9.1336  ?       ?       0.000000       9.133554  
1 1 1 -27 36  16 o 16.661  7.6432  -100.2167  313.242  -100.2167  313.242  0.0000     0.0000   16.661  7.6432  ?       ?       0.000000       7.643243  
1 1 1 -27 36  17 o 18.560  8.0026  87.510     292.553  87.510     292.553  0.0000     0.0000   18.560  8.0026  ?       ?       0.000000       8.002566  
1 1 1 -27 36  18 o 20.199  8.7778  128.155    357.550  128.155    357.550  0.0000     0.0000   20.199  8.7778  ?       ?       0.000000       8.777751  
1 1 1 -27 36  19 o 26.425  9.6755  502.889    361.723  502.889    361.723  0.0000     0.0000   26.425  9.6755  ?       ?       0.000000       9.675455  
1 1 1 -27 37  1  o 32.813  5.3517  624.546    183.643  706.673    194.405  -56.1991   559.704  34.968  5.2990  23.290  10.499  11.67782       11.76074  
1 1 1 -27 37  2  o 57.205  3.6816  1819.12    226.898  1760.82    243.521  2202.94    624.842  56.134  4.0322  58.421  10.249  -2.287262      11.01331  
1 1 1 -27 37  3  o 85.844  3.3340  4064.53    309.988  4176.10    347.299  3627.41    687.471  86.836  3.6926  77.194  8.3558  9.642159       9.135335  
1 1 1 -27 37  4  o 33.895  1.5104  624.550    55.449   393.867    211.884  641.510    57.451   25.468  7.3029  34.349  1.5442  -8.881201      7.464401  
1 1 1 -27 37  5  o 23.022  7.8837  305.780    236.679  292.925    265.522  355.492    522.155  23.022  8.3108  27.321  11.154  -4.299444      13.90985  
1 1 1 -27 37  6  o 34.144  7.4978  715.823    269.691  816.335    321.931  479.284    493.860  36.029  8.4039  28.745  11.131  7.284029       13.94687  
1 1 1 -27 37  7  o 30.953  6.3492  574.446    205.717  555.053    226.301  666.734    493.675  30.113  7.0609  31.672  11.344  -1.559429      13.36190  
1 1 1 -27 37  8  o 15.044  6.5076  6.1257     194.721  -52.5452   213.560  295.349    474.160  14.701  6.5673  25.526  10.548  -10.82549      12.42540  
1 1 1 -27 37  9  o 17.829  7.0406  131.919    200.845  74.816     220.757  406.310    483.911  17.126  7.1467  27.006  10.841  -9.880253      12.98489  
1 1 1 -27 37  10 o 18.139  7.2176  135.070    212.549  119.734    236.206  200.333    487.263  18.376  7.5021  24.161  10.371  -5.784857      12.80030  
1 1 1 -27 37  11 o 48.188  4.9890  1339.50    256.618  1401.01    290.888  1123.59    544.958  48.921  5.5902  38.789  11.866  10.13239       13.11676  
1 1 1 -27 37  12 o 22.088  8.4544  262.663    282.592  262.663    282.592  0.0000     0.0000   22.088  8.4544  ?       ?       0.000000       8.454365  
1 1 1 -27 37  13 o 37.503  7.3104  881.180    286.276  881.180    286.276  0.0000     0.0000   37.503  7.3104  ?       ?       0.000000       7.310419  
1 1 1 -27 37  14 o 55.294  6.0469  1827.56    356.241  1827.56    356.241  0.0000     0.0000   55.294  6.0469  ?       ?       0.000000       6.046901  
1 1 1 -27 37  15 o 38.976  8.2766  1001.73    338.608  1001.73    338.608  0.0000     0.0000   38.976  8.2766  ?       ?       0.000000       8.276631  
1 1 1 -27 37  16 o 23.194  9.0085  321.637    324.260  321.637    324.260  0.0000     0.0000   23.194  9.0085  ?       ?       0.000000       9.008487  
1 1 1 -27 37  17 o 27.601  8.9932  534.085    308.583  534.085    308.583  0.0000     0.0000   27.601  8.9932  ?       ?       0.000000       8.993183  
1 1 1 -27 37  18 o 40.388  8.4776  1111.39    359.029  1111.39    359.029  0.0000     0.0000   40.388  8.4776  ?       ?       0.000000       8.477634  
1 1 1 -27 37  19 o 23.084  9.4027  315.278    369.980  315.278    369.980  0.0000     0.0000   23.084  9.4027  ?       ?       0.000000       9.402679  
1 1 1 -27 38  1  o 77.956  3.0509  3345.34    257.598  3173.25    278.319  4373.67    680.336  75.780  3.3909  85.569  7.4139  -9.789688      8.152589  
1 1 1 -27 38  2  o 53.316  3.6778  1582.70    211.086  1497.63    224.825  2215.60    613.228  51.708  4.0466  58.601  10.022  -6.892879      10.80778  
1 1 1 -27 38  3  o 10.471  4.9906  -188.7793  156.631  -205.3448  165.193  -41.3009   492.896  10.665  5.0945  22.132  9.9254  -11.46738      11.15652  
1 1 1 -27 38  4  o 83.370  3.2190  3832.82    290.668  3795.55    320.663  4004.51    688.309  82.791  3.5760  81.367  7.9103  1.424004       8.681028  
1 1 1 -27 38  5  o 42.037  4.5845  1003.43    205.351  928.476    221.110  1473.75    553.853  40.154  5.2066  46.511  11.141  -6.356968      12.29753  
1 1 1 -27 38  6  o 29.861  7.4922  552.378    241.918  593.111    277.875  424.832    491.713  30.657  8.2061  27.736  10.996  2.920288       13.72077  
1 1 1 -27 38  7  f 45.232  2.0100  1116.72    98.472   960.000    231.900  1151.20    108.765  40.669  5.3980  45.892  2.1882  -5.222610      5.824654  
1 1 1 -27 38  8  f 59.703  3.8346  1996.28    246.652  1936.00    274.116  2252.67    565.349  58.512  4.3565  59.290  9.0939  -0.7778549     10.08359  
1 1 1 -27 38  9  o 32.157  5.9907  618.349    200.975  667.946    219.047  354.424    505.301  33.293  6.3054  26.407  10.899  6.885651       12.59119  
1 1 1 -27 38  10 o 45.291  5.3218  1193.55    256.083  1239.83    291.528  1037.19    535.857  45.736  6.0322  37.361  11.820  8.375015       13.27041  
1 1 1 -27 38  11 o 78.358  4.4755  3487.22    378.258  3487.22    378.258  0.0000     0.0000   78.358  4.4755  ?       ?       0.000000       4.475473  
1 1 1 -27 38  12 o 72.151  4.9803  2997.11    386.812  2997.11    386.812  0.0000     0.0000   72.151  4.9803  ?       ?       0.000000       4.980319  
1 1 1 -27 38  13 o 25.409  8.7604  414.841    292.448  414.841    292.448  0.0000     0.0000   25.409  8.7604  ?       ?       0.000000       8.760424  
1 1 1 -27 38  14 o 43.488  6.1953  1142.83    283.560  1044.93    327.711  1434.50    565.650  40.403  7.7709  43.229  11.766  -2.826569      14.10051  
1 1 1 -27 38  15 o 25.483  9.1487  428.557    321.280  428.557    321.280  0.0000     0.0000   25.483  9.1487  ?       ?       0.000000       9.148717  
1 1 1 -27 38  16 o 40.945  8.3237  1116.72    356.559  1116.72    356.559  0.0000     0.0000   40.945  8.3237  ?       ?       0.000000       8.323681  
1 1 1 -27 38  17 o 22.812  9.1852  300.333    348.506  300.333    348.506  0.0000     0.0000   22.812  9.1852  ?       ?       0.000000       9.185193  
1 1 1 -27 38  18 o 35.169  9.7906  913.670    386.671  913.670    386.671  0.0000     0.0000   35.169  9.7906  ?       ?       0.000000       9.790571  
1 1 1 -27 39  1  o 8.9811  4.3077  -163.5478  120.738  -122.9629  123.880  -933.1298  539.446  9.7347  4.5793  16.797  8.2820  -7.062405      9.463644  
1 1 1 -27 39  2  o 41.733  4.2018  982.487    187.342  956.249    197.589  1215.95    589.402  41.039  4.5202  41.067  12.292  -0.2845764E-01 13.09662  
1 1 1 -27 39  3  o 57.360  3.5991  1830.68    222.468  1767.41    240.646  2202.64    583.488  56.189  3.9799  58.711  9.5003  -2.521580      10.30025  
1 1 1 -27 39  4  o 15.697  6.3598  77.087     168.206  75.773     177.974  88.076     514.797  15.976  6.5161  23.748  10.421  -7.771530      12.29067  
1 1 1 -27 39  5  f 38.226  5.0371  841.385    203.471  879.403    218.954  600.718    550.887  38.961  5.3283  30.698  11.791  8.262413       12.93929  
1 1 1 -27 39  6  o 37.187  6.5697  830.038    254.932  891.007    295.509  652.631    504.082  38.066  7.4341  31.259  11.425  6.807283       13.63099  
1 1 1 -27 39  7  o 38.098  5.2289  842.475    210.074  880.581    230.485  655.474    510.588  38.750  5.6584  31.141  11.481  7.609335       12.79976  
1 1 1 -27 39  8  o 20.777  7.1454  248.695    194.499  205.749    212.271  473.421    485.574  19.862  7.3870  27.993  10.981  -8.131033      13.23477  
1 1 1 -27 39  9  o 50.903  4.7481  1483.40    258.756  1512.69    293.040  1379.75    551.294  51.022  5.3840  43.694  11.494  7.328087       12.69290  
1 1 1 -27 39  10 o 21.102  7.6694  248.730    226.675  248.730    226.675  0.0000     0.0000   21.102  7.6694  ?       ?       0.000000       7.669381  
1 1 1 -27 39  11 o 18.677  7.7820  107.852    261.170  107.852    261.170  0.0000     0.0000   18.677  7.7820  ?       ?       0.000000       7.782002  
1 1 1 -27 39  12 o 27.042  8.1735  473.322    259.676  473.322    259.676  0.0000     0.0000   27.042  8.1735  ?       ?       0.000000       8.173464  
1 1 1 -27 39  13 o 32.134  2.6298  572.580    90.726   1034.31    285.521  520.724    95.686   41.116  6.6376  30.548  2.9279  10.56791       7.254703  
1 1 1 -27 39  14 f 20.803  8.2393  217.382    275.804  217.382    275.804  0.0000     0.0000   20.803  8.2393  ?       ?       0.000000       8.239328  
1 1 1 -27 39  15 o 11.078  5.5089  -562.6760  258.242  -562.6760  258.242  0.0000     0.0000   11.078  5.5089  ?       ?       0.000000       5.508864  
1 1 1 -27 39  16 o 25.659  9.3387  446.226    336.255  446.226    336.255  0.0000     0.0000   25.659  9.3387  ?       ?       0.000000       9.338683  
1 1 1 -27 39  17 o 37.331  8.5487  954.472    338.209  954.472    338.209  0.0000     0.0000   37.331  8.5487  ?       ?       0.000000       8.548715  
1 1 1 -27 39  18 o 17.479  7.7665  16.623     294.530  16.623     294.530  0.0000     0.0000   17.479  7.7665  ?       ?       0.000000       7.766534  
1 1 1 -27 40  1  o 84.847  2.8551  3960.94    262.377  3802.28    283.190  4922.83    697.300  82.989  3.1506  90.700  7.1562  -7.711662      7.819045  
1 1 1 -27 40  2  o 34.382  4.4386  674.113    161.430  609.328    168.074  1445.30    579.889  32.473  4.9340  45.150  11.746  -12.67759      12.74035  
1 1 1 -27 40  3  o 19.979  6.5072  231.071    161.564  265.450    170.312  -78.0336   510.682  21.184  6.6590  21.896  9.9347  -0.7113285     11.95999  
1 1 1 -27 40  4  o 34.495  4.9422  686.528    179.375  664.954    190.266  858.958    537.898  33.753  5.3856  34.789  11.885  -1.035892      13.04844  
1 1 1 -27 40  5  o 22.715  6.5207  311.769    168.844  330.189    178.061  147.518    531.706  23.324  6.6966  24.473  10.669  -1.149305      12.59637  
1 1 1 -27 40  6  o 50.618  5.3194  1481.18    287.275  1396.32    339.313  1695.93    539.815  48.296  6.6641  50.285  10.259  -1.988567      12.23339  
1 1 1 -27 40  7  o 22.093  7.8502  280.370    235.972  361.657    269.708  15.047     487.269  24.402  8.4129  22.189  9.9156  2.212652       13.00373  
1 1 1 -27 40  8  o 15.066  6.5708  -2.5652    201.897  -53.0346   222.653  230.891    478.870  14.940  6.6876  24.461  10.385  -9.520932      12.35181  
1 1 1 -27 40  9  o 23.927  8.0631  350.325    247.531  350.325    247.531  0.0000     0.0000   23.927  8.0631  ?       ?       0.000000       8.063056  
1 1 1 -27 40  10 o 48.784  5.7986  1401.61    300.385  1401.61    300.385  0.0000     0.0000   48.784  5.7986  ?       ?       0.000000       5.798614  
1 1 1 -27 40  11 o 53.132  5.7786  1663.34    327.184  1663.34    327.184  0.0000     0.0000   53.132  5.7786  ?       ?       0.000000       5.778613  
1 1 1 -27 40  12 o 53.381  5.0937  1654.15    290.925  1707.33    334.746  1489.99    588.147  53.679  5.8524  44.223  11.981  9.455647       13.33441  
1 1 1 -27 40  13 o 24.518  8.2632  382.955    259.973  435.459    297.791  214.729    533.042  25.845  8.8432  24.380  10.654  1.464796       13.84578  
1 1 1 -27 40  14 o 17.768  7.6589  59.912     267.821  59.912     267.821  0.0000     0.0000   17.768  7.6589  ?       ?       0.000000       7.658893  
1 1 1 -27 40  15 o 27.255  8.8143  506.891    296.730  506.891    296.730  0.0000     0.0000   27.255  8.8143  ?       ?       0.000000       8.814323  
1 1 1 -27 40  16 o 18.150  8.0843  13.986     321.107  13.986     321.107  0.0000     0.0000   18.150  8.0843  ?       ?       0.000000       8.084337  
1 1 1 -27 40  17 o 19.580  8.3430  134.539    311.124  134.539    311.124  0.0000     0.0000   19.580  8.3430  ?       ?       0.000000       8.343029  
1 1 1 -27 40  18 o 17.385  7.8657  -31.3887   317.447  -31.3887   317.447  0.0000     0.0000   17.385  7.8657  ?       ?       0.000000       7.865735  
1 1 1 -27 41  1  o 20.453  5.6325  249.193    128.740  258.587    132.382  85.453     552.659  20.814  5.7032  24.035  10.661  -3.220472      12.09072  
1 1 1 -27 41  2  o 44.720  3.7195  1120.41    178.524  1104.07    187.333  1281.97    589.097  44.298  3.9457  41.701  12.241  2.597919       12.86119  
1 1 1 -27 41  3  o 54.044  3.6255  1630.55    210.991  1599.86    225.423  1847.45    599.310  53.394  3.9254  51.844  11.013  1.550224       11.69145  
1 1 1 -27 41  4  o 28.555  5.5513  482.679    165.507  447.328    174.017  817.793    535.783  27.272  6.0496  33.860  11.847  -6.587803      13.30227  
1 1 1 -27 41  5  o 37.369  4.9411  805.978    195.083  774.942    208.390  1025.96    554.805  36.395  5.4546  37.330  12.050  -0.9358978     13.22746  
1 1 1 -27 41  6  o 15.370  6.4260  51.210     178.940  120.657    192.952  -375.5125  478.296  17.364  6.8870  18.576  8.8154  -1.211802      11.18668  
1 1 1 -27 41  7  o 47.338  6.1727  1329.31    308.955  1107.90    379.005  1767.86    533.403  41.427  8.7224  51.482  9.9258  -10.05459      13.21373  
1 1 1 -27 41  8  o 23.693  7.8741  343.078    236.130  343.078    236.130  0.0000     0.0000   23.693  7.8741  ?       ?       0.000000       7.874062  
1 1 1 -27 41  9  o 21.306  7.9244  247.556    244.286  247.556    244.286  0.0000     0.0000   21.306  7.9244  ?       ?       0.000000       7.924373  
1 1 1 -27 41  10 o 15.309  6.8083  -34.9344   226.814  -34.9344   226.814  0.0000     0.0000   15.309  6.8083  ?       ?       0.000000       6.808288  
1 1 1 -27 41  11 o 31.270  6.6843  603.207    219.525  658.380    240.117  322.287    541.814  32.510  7.0243  25.979  11.038  6.531271       13.08377  
1 1 1 -27 41  12 o 29.197  1.6867  466.459    53.111   363.951    284.853  470.151    54.059   24.216  8.6229  29.309  1.7104  -5.093071      8.790863  
1 1 1 -27 41  13 o 41.539  7.4004  1087.71    320.745  1087.71    320.745  0.0000     0.0000   41.539  7.4004  ?       ?       0.000000       7.400403  
1 1 1 -27 41  14 o 28.561  8.0622  540.346    260.309  540.346    260.309  0.0000     0.0000   28.561  8.0622  ?       ?       0.000000       8.062216  
1 1 1 -27 41  15 o 23.635  8.3320  358.656    265.322  358.656    265.322  0.0000     0.0000   23.635  8.3320  ?       ?       0.000000       8.332037  
1 1 1 -27 41  16 o 43.623  7.8606  1246.20    357.736  1246.20    357.736  0.0000     0.0000   43.623  7.8606  ?       ?       0.000000       7.860649  
1 1 1 -27 41  17 o 20.488  8.3341  207.694    290.171  207.694    290.171  0.0000     0.0000   20.488  8.3341  ?       ?       0.000000       8.334111  
1 1 1 -27 42  1  o 43.414  4.5197  1074.78    209.410  992.761    224.209  1635.20    586.098  41.426  5.1050  48.003  11.436  -6.577282      12.52352  
1 1 1 -27 42  2  o 37.639  1.9899  775.698    80.832   824.339    175.135  762.532    91.117   38.058  4.3256  37.256  2.2689  0.8019180      4.884505  
1 1 1 -27 42  3  o 44.295  4.0070  1106.32    190.160  1092.95    201.168  1218.59    582.841  43.902  4.2853  40.441  12.250  3.461075       12.97805  
1 1 1 -27 42  4  o 49.676  3.8739  1386.10    206.788  1359.99    221.731  1560.51    572.981  49.043  4.2152  46.942  11.386  2.101326       12.14153  
1 1 1 -27 42  5  o 13.523  5.8205  7.2306     154.221  -7.7382    161.261  167.525    527.708  13.492  5.8789  24.440  10.642  -10.94709      12.15797  
1 1 1 -27 42  6  o 49.625  4.5257  1402.44    240.577  1296.11    266.323  1874.03    560.854  47.274  5.2922  52.789  10.178  -5.514774      11.47191  
1 1 1 -27 42  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 42  8  o 44.809  5.6814  1179.10    269.539  1179.10    269.539  0.0000     0.0000   44.809  5.6814  ?       ?       0.000000       5.681354  
1 1 1 -27 42  9  o 30.300  7.7573  584.451    255.669  584.451    255.669  0.0000     0.0000   30.300  7.7573  ?       ?       0.000000       7.757345  
1 1 1 -27 42  10 o 28.741  7.2536  519.939    225.812  482.793    249.542  687.854    530.563  27.430  7.9428  31.077  11.655  -3.647778      14.10396  
1 1 1 -27 42  11 o 19.879  7.6895  197.379    235.510  204.458    264.029  169.817    520.968  20.517  8.0820  23.922  10.491  -3.405378      13.24309  
1 1 1 -27 42  12 o 42.807  6.3011  1108.05    283.410  1108.05    283.410  0.0000     0.0000   42.807  6.3011  ?       ?       0.000000       6.301143  
1 1 1 -27 42  13 o 58.718  5.0151  2005.41    315.891  2005.41    315.891  0.0000     0.0000   58.718  5.0151  ?       ?       0.000000       5.015099  
1 1 1 -27 42  14 o 47.362  6.8462  1392.15    341.008  1392.15    341.008  0.0000     0.0000   47.362  6.8462  ?       ?       0.000000       6.846228  
1 1 1 -27 42  15 o 30.908  8.6091  654.824    298.890  654.824    298.890  0.0000     0.0000   30.908  8.6091  ?       ?       0.000000       8.609090  
1 1 1 -27 42  16 o 44.641  7.0183  1261.35    328.146  1261.35    328.146  0.0000     0.0000   44.641  7.0183  ?       ?       0.000000       7.018343  
1 1 1 -27 42  17 f 27.571  9.2585  540.438    326.359  540.438    326.359  0.0000     0.0000   27.571  9.2585  ?       ?       0.000000       9.258488  
1 1 1 -27 43  1  o 37.203  9.1805  915.042    367.660  1295.68    474.776  344.862    581.084  43.567  10.235  27.003  11.450  16.56359       15.35816  
1 1 1 -27 43  2  o 55.844  1.4622  1696.64    88.440   1704.19    89.449   1367.60    590.653  55.966  1.4756  42.881  12.158  13.08467       12.24763  
1 1 1 -27 43  3  o 16.870  6.2655  140.212    152.606  145.995    159.094  73.619     539.867  17.190  6.3947  23.595  10.498  -6.405186      12.29243  
1 1 1 -27 43  4  o 34.362  4.8929  683.492    176.963  751.789    187.203  109.959    542.489  36.051  4.9230  23.999  10.608  12.05177       11.69464  
1 1 1 -27 43  5  f 23.546  6.7546  339.682    181.229  385.714    192.548  -17.6773   536.488  24.999  6.8899  22.641  10.236  2.358376       12.33906  
1 1 1 -27 43  6  o 21.194  7.3461  259.805    205.776  259.805    205.776  0.0000     0.0000   21.194  7.3461  ?       ?       0.000000       7.346117  
1 1 1 -27 43  7  o 23.376  8.8327  305.612    305.963  305.612    305.963  0.0000     0.0000   23.376  8.8327  ?       ?       0.000000       8.832731  
1 1 1 -27 43  8  o 14.014  6.3696  -86.5679   211.076  -86.5679   211.076  0.0000     0.0000   14.014  6.3696  ?       ?       0.000000       6.369635  
1 1 1 -27 43  9  o 6.0761  2.7006  -12.5227   35.637   155.779    216.067  -17.2292   36.132   18.635  7.3205  5.9453  2.6751  12.68978       7.793979  
1 1 1 -27 43  10 o 31.782  1.7843  552.896    61.171   490.148    261.545  556.527    62.917   27.506  8.1780  31.878  1.8299  -4.372240      8.380246  
1 1 1 -27 43  11 o ?       ?       -153.9019  30.107   -129.3977  248.728  -154.2663  30.330   14.647  6.7528  ?       ?       0.000000       6.752811  
1 1 1 -27 43  12 o 18.955  7.8748  126.137    266.321  126.137    266.321  0.0000     0.0000   18.955  7.8748  ?       ?       0.000000       7.874817  
1 1 1 -27 43  13 o 42.717  7.1093  1141.92    317.368  1141.92    317.368  0.0000     0.0000   42.717  7.1093  ?       ?       0.000000       7.109313  
1 1 1 -27 43  14 o 17.893  7.6513  77.952     263.338  77.952     263.338  0.0000     0.0000   17.893  7.6513  ?       ?       0.000000       7.651251  
1 1 1 -27 43  15 o 25.981  8.6970  457.951    287.968  457.951    287.968  0.0000     0.0000   25.981  8.6970  ?       ?       0.000000       8.697039  
1 1 1 -27 43  16 o 34.706  8.3029  815.027    307.924  815.027    307.924  0.0000     0.0000   34.706  8.3029  ?       ?       0.000000       8.302919  
1 1 1 -27 43  17 o 19.221  8.2538  113.233    308.792  113.233    308.792  0.0000     0.0000   19.221  8.2538  ?       ?       0.000000       8.253814  
1 1 1 -27 44  1  o 45.998  7.9887  1327.29    383.561  1225.22    497.894  1476.30    601.569  41.684  10.903  44.595  12.132  -2.910805      16.31180  
1 1 1 -27 44  2  o 34.286  9.4589  787.672    362.690  1023.55    462.672  411.672    584.153  38.150  10.741  27.824  11.620  10.32649       15.82372  
1 1 1 -27 44  3  o 33.367  9.4895  746.406    359.237  621.930    452.583  958.384    590.611  30.298  10.860  35.670  12.441  -5.371141      16.51437  
1 1 1 -27 44  4  o 29.795  5.8422  530.482    181.794  510.063    193.245  687.623    536.090  28.986  6.3325  31.458  11.731  -2.471945      13.33138  
1 1 1 -27 44  5  o 22.832  7.1064  317.836    194.502  317.836    194.502  0.0000     0.0000   22.832  7.1064  ?       ?       0.000000       7.106386  
1 1 1 -27 44  6  o 36.261  6.0075  783.820    227.678  783.820    227.678  0.0000     0.0000   36.261  6.0075  ?       ?       0.000000       6.007494  
1 1 1 -27 44  7  o 49.612  7.9848  1543.53    414.506  1543.53    414.506  0.0000     0.0000   49.612  7.9848  ?       ?       0.000000       7.984787  
1 1 1 -27 44  8  o 19.724  7.0399  216.591    189.974  188.808    204.535  391.154    512.680  19.214  7.2303  26.758  11.003  -7.543905      13.16599  
1 1 1 -27 44  9  o 55.847  4.1976  1767.68    252.049  1808.09    279.230  1589.89    585.660  56.221  4.6267  46.501  11.652  9.719990       12.53687  
1 1 1 -27 44  10 o 39.858  5.5596  938.227    233.475  1065.91    274.477  604.059    444.047  42.117  6.2027  29.524  10.734  12.59339       12.39702  
1 1 1 -27 44  11 o 25.461  7.9306  416.233    242.185  416.233    242.185  0.0000     0.0000   25.461  7.9306  ?       ?       0.000000       7.930615  
1 1 1 -27 44  12 o 26.641  8.0544  464.527    252.139  464.527    252.139  0.0000     0.0000   26.641  8.0544  ?       ?       0.000000       8.054409  
1 1 1 -27 44  13 o 24.859  8.2764  402.576    260.838  402.576    260.838  0.0000     0.0000   24.859  8.2764  ?       ?       0.000000       8.276448  
1 1 1 -27 44  14 o 41.747  6.8899  1090.52    300.672  1090.52    300.672  0.0000     0.0000   41.747  6.8899  ?       ?       0.000000       6.889936  
1 1 1 -27 44  15 o 19.864  8.3105  159.378    299.580  159.378    299.580  0.0000     0.0000   19.864  8.3105  ?       ?       0.000000       8.310478  
1 1 1 -27 44  16 o 22.672  8.2643  323.582    263.482  323.582    263.482  0.0000     0.0000   22.672  8.2643  ?       ?       0.000000       8.264260  
1 1 1 -27 45  1  o 33.415  9.6334  756.001    367.799  557.244    475.487  1052.07    580.333  29.116  11.009  37.174  12.344  -8.058332      16.53962  
1 1 1 -27 45  2  o 30.464  2.8680  515.935    93.518   1295.10    468.500  483.601    95.438   43.615  10.114  29.439  3.0368  14.17676       10.56006  
1 1 1 -27 45  3  o 39.429  8.9115  1015.71    371.616  977.482    469.133  1080.11    608.860  37.060  10.937  37.452  12.646  -0.3918839     16.71880  
1 1 1 -27 45  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 45  5  o 14.834  6.3206  27.855     178.550  27.855     178.550  0.0000     0.0000   14.834  6.3206  ?       ?       0.000000       6.320604  
1 1 1 -27 45  6  o 46.124  5.3219  1237.64    260.990  1237.64    260.990  0.0000     0.0000   46.124  5.3219  ?       ?       0.000000       5.321903  
1 1 1 -27 45  7  o 26.443  6.8352  433.767    197.192  425.214    212.962  485.188    522.161  26.042  7.2716  28.140  11.274  -2.098040      13.41555  
1 1 1 -27 45  8  o 28.055  1.9303  431.916    58.298   499.701    280.402  428.853    59.600   27.718  8.5170  27.945  1.9820  -0.2269306     8.744569  
1 1 1 -27 45  9  o 4.0293  1.9534  -44.2324   26.467   14.918     220.654  -45.0959   26.659   15.894  6.9011  4.0300  1.9553  11.86347       7.172770  
1 1 1 -27 45  10 o 13.846  6.4139  -138.9900  228.343  -138.9900  228.343  0.0000     0.0000   13.846  6.4139  ?       ?       0.000000       6.413899  
1 1 1 -27 45  11 o 37.249  6.6713  854.730    259.266  854.730    259.266  0.0000     0.0000   37.249  6.6713  ?       ?       0.000000       6.671334  
1 1 1 -27 45  12 o 35.443  7.7097  810.006    287.540  810.006    287.540  0.0000     0.0000   35.443  7.7097  ?       ?       0.000000       7.709704  
1 1 1 -27 45  13 o 21.428  8.0185  265.970    250.874  265.970    250.874  0.0000     0.0000   21.428  8.0185  ?       ?       0.000000       8.018503  
1 1 1 -27 45  14 o 45.539  6.9127  1297.48    330.246  1297.48    330.246  0.0000     0.0000   45.539  6.9127  ?       ?       0.000000       6.912739  
1 1 1 -27 45  15 o 16.846  7.4473  10.779     267.454  10.779     267.454  0.0000     0.0000   16.846  7.4473  ?       ?       0.000000       7.447258  
1 1 1 -27 45  16 o 22.651  8.6430  313.347    294.774  313.347    294.774  0.0000     0.0000   22.651  8.6430  ?       ?       0.000000       8.643040  
1 1 1 -27 46  1  o 28.521  9.7163  537.994    359.484  794.153    465.134  158.024    566.497  33.342  11.050  24.681  10.878  8.660862       15.50589  
1 1 1 -27 46  2  o 24.902  9.4364  361.558    349.846  321.766    444.920  426.012    566.249  25.208  10.294  27.748  11.501  -2.539373      15.43559  
1 1 1 -27 46  3  o 28.678  11.795  486.374    589.231  0.0000     0.0000   486.374    589.231  ?       ?       28.678  11.795  0.000000       11.79462  
1 1 1 -27 46  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 46  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 46  6  o 18.305  7.4155  127.001    228.645  226.871    250.328  -375.7353  561.644  20.894  7.9667  20.099  9.5423  0.7955456      12.43079  
1 1 1 -27 46  7  o 18.483  7.0858  164.890    198.702  112.692    215.584  459.570    512.228  17.666  7.1845  27.636  11.133  -9.970053      13.24979  
1 1 1 -27 46  8  o 18.921  7.7991  126.994    258.342  154.615    337.105  87.688     402.138  20.967  8.7966  21.214  9.2623  -0.2468662     12.77385  
1 1 1 -27 46  9  o 25.745  7.1148  416.962    204.997  459.231    235.221  283.458    418.032  26.786  7.6986  24.073  9.9216  2.712597       12.55812  
1 1 1 -27 46  10 o 23.764  8.0168  353.646    244.702  353.646    244.702  0.0000     0.0000   23.764  8.0168  ?       ?       0.000000       8.016807  
1 1 1 -27 46  11 o 34.208  7.6024  750.640    274.370  750.640    274.370  0.0000     0.0000   34.208  7.6024  ?       ?       0.000000       7.602406  
1 1 1 -27 46  12 o 33.290  7.9394  725.576    282.252  725.576    282.252  0.0000     0.0000   33.290  7.9394  ?       ?       0.000000       7.939437  
1 1 1 -27 46  13 o 16.412  7.1806  18.940     242.788  18.940     242.788  0.0000     0.0000   16.412  7.1806  ?       ?       0.000000       7.180582  
1 1 1 -27 46  14 o 36.314  9.8892  958.854    399.461  958.854    399.461  0.0000     0.0000   36.314  9.8892  ?       ?       0.000000       9.889184  
1 1 1 -27 46  15 o 21.445  8.3166  261.035    276.033  261.035    276.033  0.0000     0.0000   21.445  8.3166  ?       ?       0.000000       8.316560  
1 1 1 -27 46  16 o 58.225  5.7356  2035.96    357.012  2035.96    357.012  0.0000     0.0000   58.225  5.7356  ?       ?       0.000000       5.735624  
1 1 1 -27 47  1  o 5.0328  2.3255  -23.9066   29.742   -24.3695   29.786   132.372    547.279  5.0215  2.3227  24.096  10.653  -19.07484      10.90287  
1 1 1 -27 47  2  o 23.830  10.650  82.349     562.230  0.0000     0.0000   82.349     562.230  ?       ?       23.830  10.650  0.000000       10.64986  
1 1 1 -27 47  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 47  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 47  5  o 41.021  10.919  1201.07    493.688  1201.07    493.688  0.0000     0.0000   41.021  10.919  ?       ?       0.000000       10.91875  
1 1 1 -27 47  6  f 31.197  10.341  677.341    407.351  875.003    568.367  468.572    584.118  33.999  12.172  28.205  11.685  5.794201       16.87353  
1 1 1 -27 47  7  o 25.683  10.842  315.106    517.277  0.0000     0.0000   315.106    517.277  ?       ?       25.683  10.842  0.000000       10.84213  
1 1 1 -27 47  8  o 9.0109  2.6317  45.559     27.290   95.377     291.403  45.118     27.410   19.083  8.1012  8.9760  2.6420  10.10708       8.521188  
1 1 1 -27 47  9  o 13.121  6.1564  -178.1136  221.458  -178.1136  221.458  0.0000     0.0000   13.121  6.1564  ?       ?       0.000000       6.156380  
1 1 1 -27 47  10 o 12.866  6.0648  -191.0678  219.354  -191.0678  219.354  0.0000     0.0000   12.866  6.0648  ?       ?       0.000000       6.064771  
1 1 1 -27 47  11 o 33.005  7.6609  703.344    268.589  703.344    268.589  0.0000     0.0000   33.005  7.6609  ?       ?       0.000000       7.660910  
1 1 1 -27 47  12 o 17.040  7.2101  74.023     229.601  74.023     229.601  0.0000     0.0000   17.040  7.2101  ?       ?       0.000000       7.210070  
1 1 1 -27 47  13 o 14.261  6.6815  -178.2720  259.229  -178.2720  259.229  0.0000     0.0000   14.261  6.6815  ?       ?       0.000000       6.681541  
1 1 1 -27 47  14 o 34.817  8.3338  816.570    310.090  816.570    310.090  0.0000     0.0000   34.817  8.3338  ?       ?       0.000000       8.333850  
1 1 1 -27 47  15 o 44.461  6.6809  1231.16    311.779  1231.16    311.779  0.0000     0.0000   44.461  6.6809  ?       ?       0.000000       6.680941  
1 1 1 -27 48  1  o 27.795  11.524  447.096    568.779  0.0000     0.0000   447.096    568.779  ?       ?       27.795  11.524  0.000000       11.52450  
1 1 1 -27 48  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  4  f 20.653  9.3518  -44.9027   449.764  -44.9027   449.764  0.0000     0.0000   20.653  9.3518  ?       ?       0.000000       9.351787  
1 1 1 -27 48  5  o 49.106  2.6813  1331.78    142.074  0.0000     0.0000   1331.78    142.074  ?       ?       49.106  2.6813  0.000000       2.681336  
1 1 1 -27 48  6  o 39.500  12.584  1228.17    606.540  0.0000     0.0000   1228.17    606.540  ?       ?       39.500  12.584  0.000000       12.58399  
1 1 1 -27 48  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 48  11 o 27.998  8.0662  517.347    257.947  517.347    257.947  0.0000     0.0000   27.998  8.0662  ?       ?       0.000000       8.066230  
1 1 1 -27 48  12 o 25.589  8.3329  432.652    264.949  432.652    264.949  0.0000     0.0000   25.589  8.3329  ?       ?       0.000000       8.332920  
1 1 1 -27 48  13 o 28.441  8.5019  551.097    282.108  551.097    282.108  0.0000     0.0000   28.441  8.5019  ?       ?       0.000000       8.501903  
1 1 1 -27 48  14 o 32.644  7.9235  706.304    277.322  706.304    277.322  0.0000     0.0000   32.644  7.9235  ?       ?       0.000000       7.923542  
1 1 1 -27 48  15 o 15.790  7.2694  -110.0592  286.819  -110.0592  286.819  0.0000     0.0000   15.790  7.2694  ?       ?       0.000000       7.269387  
1 1 1 -27 49  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  4  o 25.809  11.079  291.171    556.081  0.0000     0.0000   291.171    556.081  ?       ?       25.809  11.079  0.000000       11.07941  
1 1 1 -27 49  5  o 22.998  10.390  25.868     551.476  0.0000     0.0000   25.868     551.476  ?       ?       22.998  10.390  0.000000       10.38968  
1 1 1 -27 49  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 49  14 o 19.239  8.2867  100.671    313.044  100.671    313.044  0.0000     0.0000   19.239  8.2867  ?       ?       0.000000       8.286734  
1 1 1 -27 50  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  3  f 26.760  11.556  336.220    612.052  0.0000     0.0000   336.220    612.052  ?       ?       26.760  11.556  0.000000       11.55645  
1 1 1 -27 50  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 50  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 51  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 52  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 53  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 54  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 55  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 56  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 57  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 58  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 59  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 60  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 60  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 60  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -27 60  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 0   1  o 105.040 4.4869  6052.89    508.357  6052.89    508.357  6052.89    508.357  105.040 4.4869  105.040 4.4869  0.000000       0.000000  
1 1 1 -26 0   2  o 22.275  10.439  406.830    282.017  406.830    282.017  406.830    282.017  22.275  10.439  22.275  10.439  -0.000000      0.000000  
1 1 1 -26 0   3  o 82.061  4.5720  3708.74    403.480  3708.74    403.480  3708.74    403.480  82.061  4.5720  82.061  4.5720  0.000000       0.000000  
1 1 1 -26 0   4  o 47.680  6.9197  1326.06    335.429  1326.06    335.429  1326.06    335.429  47.680  6.9197  47.680  6.9197  0.000000       0.000000  
1 1 1 -26 0   5  o 52.745  6.2371  1589.39    343.212  1589.39    343.212  1589.39    343.212  52.745  6.2371  52.745  6.2371  -0.000000      0.000000  
1 1 1 -26 0   6  o 46.580  6.6764  1263.25    316.762  1263.25    316.762  1263.25    316.762  46.580  6.6764  46.580  6.6764  0.000000       0.000000  
1 1 1 -26 0   7  o 12.831  8.3309  -6.6740    276.596  -6.6740    276.596  -6.6740    276.596  12.831  8.3309  12.831  8.3309  -0.000000      0.000000  
1 1 1 -26 0   8  o 18.988  10.259  292.521    294.190  292.521    294.190  292.521    294.190  18.988  10.259  18.988  10.259  -0.000000      0.000000  
1 1 1 -26 0   9  o 52.096  5.9244  1546.96    323.124  1546.96    323.124  1546.96    323.124  52.096  5.9244  52.096  5.9244  -0.000000      0.000000  
1 1 1 -26 0   10 o 105.485 4.7955  6126.47    545.316  6126.47    545.316  6126.47    545.316  105.485 4.7955  105.485 4.7955  0.000000       0.000000  
1 1 1 -26 0   11 o 121.938 4.7491  8176.97    625.055  8176.97    625.055  8176.97    625.055  121.938 4.7491  121.938 4.7491  -0.000000      0.000000  
1 1 1 -26 0   12 o 29.439  10.501  641.574    305.478  641.574    305.478  641.574    305.478  29.439  10.501  29.439  10.501  0.000000       0.000000  
1 1 1 -26 0   13 o 46.763  5.1642  1243.48    253.419  1243.48    253.419  1243.48    253.419  46.763  5.1642  46.763  5.1642  -0.000000      0.000000  
1 1 1 -26 0   14 o 55.601  5.8469  1761.28    343.200  1761.28    343.200  1761.28    343.200  55.601  5.8469  55.601  5.8469  -0.000000      0.000000  
1 1 1 -26 0   15 o 18.067  10.082  263.278    294.123  263.278    294.123  263.278    294.123  18.067  10.082  18.067  10.082  0.000000       0.000000  
1 1 1 -26 0   16 o 12.749  8.3817  -27.7178   292.872  -27.7178   292.872  -27.7178   292.872  12.749  8.3817  12.749  8.3817  0.000000       0.000000  
1 1 1 -26 0   17 o 24.255  11.002  498.182    312.088  498.182    312.088  498.182    312.088  24.255  11.002  24.255  11.002  0.000000       0.000000  
1 1 1 -26 0   18 o 31.746  11.297  775.602    354.056  775.602    354.056  775.602    354.056  31.746  11.297  31.746  11.297  -0.000000      0.000000  
1 1 1 -26 0   19 o 25.594  11.156  563.867    321.047  563.867    321.047  563.867    321.047  25.594  11.156  25.594  11.156  -0.000000      0.000000  
1 1 1 -26 0   20 o 77.481  5.1617  3403.85    428.760  3403.85    428.760  3403.85    428.760  77.481  5.1617  77.481  5.1617  -0.000000      0.000000  
1 1 1 -26 0   21 o 76.735  5.4293  3365.73    446.051  3365.73    446.051  3365.73    446.051  76.735  5.4293  76.735  5.4293  -0.000000      0.000000  
1 1 1 -26 0   22 o 11.243  7.7942  -205.4384  328.807  -205.4384  328.807  -205.4384  328.807  11.243  7.7942  11.243  7.7942  0.000000       0.000000  
1 1 1 -26 0   23 o 16.959  10.220  243.032    341.502  243.032    341.502  243.032    341.502  16.959  10.220  16.959  10.220  0.000000       0.000000  
1 1 1 -26 0   24 o 20.660  11.057  429.808    338.677  429.808    338.677  429.808    338.677  20.660  11.057  20.660  11.057  0.000000       0.000000  
1 1 1 -26 0   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 1   1  o 46.027  4.4518  1174.78    219.159  1371.59    316.797  994.142    303.504  49.309  6.0593  41.581  6.9869  7.727608       9.248327  
1 1 1 -26 1   2  o 23.640  7.3161  315.605    206.483  363.662    306.628  275.733    279.304  26.033  8.9706  23.599  8.5230  2.434393       12.37390  
1 1 1 -26 1   3  o 34.070  5.7456  660.368    204.474  644.354    275.566  679.986    305.011  33.122  7.8087  33.919  8.3568  -0.7966270     11.43730  
1 1 1 -26 1   4  o 67.822  3.8037  2525.77    278.288  2573.38    381.975  2471.91    406.263  68.053  5.2221  66.531  5.6927  1.521988       7.725079  
1 1 1 -26 1   5  o 52.537  4.1432  1523.23    233.845  1294.65    339.358  1729.89    322.685  47.651  6.7653  55.655  5.4219  -8.004345      8.669868  
1 1 1 -26 1   6  o 47.798  4.6764  1269.56    238.998  1115.43    335.819  1427.74    340.212  43.970  7.3081  50.189  6.4045  -6.219753      9.717253  
1 1 1 -26 1   7  o 28.535  7.1927  476.536    222.231  510.478    312.108  441.631    316.503  29.544  8.9677  27.901  9.1087  1.643139       12.78230  
1 1 1 -26 1   8  o 104.759 3.3514  5998.88    380.260  6050.16    537.435  5947.47    538.103  104.721 4.7383  103.809 4.7859  0.9117203      6.734673  
1 1 1 -26 1   9  o 112.674 3.2572  6938.80    397.506  7662.61    572.504  6265.05    552.352  117.923 4.4824  106.499 4.7885  11.42407       6.559110  
1 1 1 -26 1   10 o 139.946 3.3549  10716.30   508.526  10828.16   728.643  10610.08   710.046  139.919 4.8080  138.549 4.7317  1.370590       6.745796  
1 1 1 -26 1   11 o 73.384  3.5265  2951.84    280.298  3049.25    386.949  2844.30    406.581  74.043  4.8519  71.318  5.3014  2.724312       7.186502  
1 1 1 -26 1   12 o 96.534  3.3438  5104.83    349.613  4814.17    503.500  5375.45    485.828  92.959  5.0194  98.582  4.5500  -5.623016      6.774706  
1 1 1 -26 1   13 o 38.729  4.9243  846.340    201.891  947.669    247.407  644.375    349.288  40.728  5.7699  32.457  9.3967  8.270771       11.02672  
1 1 1 -26 1   14 o 27.829  6.8145  458.943    203.760  483.495    278.986  430.872    298.304  28.378  8.4483  27.112  8.8425  1.266525       12.22963  
1 1 1 -26 1   15 o 25.783  7.2751  395.216    212.005  357.218    299.214  433.523    300.431  25.310  8.8535  27.126  8.8753  -1.816269      12.53616  
1 1 1 -26 1   16 o 51.089  4.4100  1461.62    241.634  1422.94    339.449  1501.36    344.041  49.482  6.4902  50.901  6.3806  -1.418865      9.101385  
1 1 1 -26 1   17 o 66.330  3.8989  2448.34    278.872  2281.07    406.463  2597.11    383.324  62.851  6.0455  67.583  5.2786  -4.731949      8.025710  
1 1 1 -26 1   18 o 32.050  6.7263  623.097    226.053  756.069    320.205  490.981    319.172  34.355  8.6196  27.830  9.1500  6.525330       12.57060  
1 1 1 -26 1   19 o 45.711  5.0130  1209.79    244.117  1289.65    343.820  1128.60    346.664  45.761  7.1727  42.255  7.8640  3.505325       10.64375  
1 1 1 -26 1   20 o 15.835  6.9579  -1.4981    230.134  -251.6608  318.149  273.052    333.296  15.386  7.2683  22.726  9.0396  -7.340370      11.59925  
1 1 1 -26 1   21 o 21.998  7.8855  293.975    238.598  88.105     334.514  507.183    340.422  19.597  8.5033  27.188  9.4472  -7.590574      12.71046  
1 1 1 -26 1   22 o 28.398  7.7604  536.948    245.492  165.162    344.858  918.910    349.546  20.670  8.7950  36.341  8.9417  -15.67064      12.54213  
1 1 1 -26 1   23 o 27.383  7.8773  511.115    246.165  611.967    343.717  404.912    352.719  28.735  9.4976  24.430  9.4214  4.304707       13.37790  
1 1 1 -26 1   24 o 35.865  6.6364  826.590    248.300  921.068    351.889  732.903    350.413  35.413  9.1192  30.979  9.5214  4.434484       13.18398  
1 1 1 -26 1   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 2   1  o 82.657  3.3241  3730.87    297.596  3678.76    412.141  3787.63    430.166  81.618  4.6817  82.774  4.8190  -1.155273      6.718740  
1 1 1 -26 2   2  o 34.171  5.5228  661.982    197.429  656.550    289.275  666.719    270.122  33.377  8.0869  33.750  7.5753  -0.3729172     11.08074  
1 1 1 -26 2   3  o 17.115  6.9072  80.111     197.562  -82.8543   274.295  255.784    284.789  16.828  7.4853  23.247  8.5740  -6.419472      11.38171  
1 1 1 -26 2   4  o 33.139  5.8642  626.793    202.781  479.548    284.762  778.278    288.833  28.706  8.5329  36.525  7.5506  -7.818296      11.39396  
1 1 1 -26 2   5  o 75.028  3.5951  3078.44    292.153  2993.00    399.738  3176.42    428.047  73.469  5.0542  75.624  5.2586  -2.155830      7.293685  
1 1 1 -26 2   6  o 117.781 3.2879  7575.55    419.432  7169.06    591.712  7986.06    594.633  114.046 4.7903  120.469 4.5572  -6.423187      6.611739  
1 1 1 -26 2   7  o 70.855  3.8400  2758.89    293.593  2859.00    400.571  2642.70    431.565  71.709  5.1926  68.685  5.8571  3.023903       7.827482  
1 1 1 -26 2   8  o 16.575  6.9458  37.069     209.781  36.533     284.776  37.705     310.201  18.942  8.0231  19.687  8.3581  -0.7450180     11.58570  
1 1 1 -26 2   9  o 47.922  4.4770  1275.80    229.681  979.672    321.180  1585.73    328.581  40.977  7.5136  53.047  5.8142  -12.07043      9.500485  
1 1 1 -26 2   10 o 54.539  3.9974  1642.95    234.490  1579.35    330.334  1707.54    332.918  52.877  5.8668  55.079  5.6611  -2.202423      8.152770  
1 1 1 -26 2   11 o 30.566  6.5637  545.594    210.812  551.668    294.992  539.253    301.378  30.374  8.5855  30.054  8.7364  0.3196239      12.24892  
1 1 1 -26 2   12 o 26.825  6.9936  424.168    205.280  197.210    292.165  645.451    288.490  21.933  8.5420  32.802  8.1549  -10.86962      11.80967  
1 1 1 -26 2   13 o 19.218  7.0156  178.877    189.975  116.214    238.410  287.875    314.431  18.938  7.6070  24.128  8.9871  -5.190216      11.77436  
1 1 1 -26 2   14 o 47.681  4.5367  1271.68    231.465  1043.11    328.250  1497.74    326.440  41.998  7.4908  51.205  5.9998  -9.206532      9.597379  
1 1 1 -26 2   15 o 101.900 3.2569  5697.80    359.456  5484.25    507.036  5913.57    509.668  99.263  4.7161  103.165 4.5613  -3.902145      6.560996  
1 1 1 -26 2   16 o 61.722  3.9125  2115.05    260.203  2202.89    367.166  2026.41    368.806  62.265  5.5009  59.551  5.7912  2.713902       7.987373  
1 1 1 -26 2   17 o 75.113  3.6508  3120.68    297.015  3386.13    432.674  2884.12    408.456  77.264  5.2005  71.198  5.3355  6.066353       7.450717  
1 1 1 -26 2   18 o 55.204  4.2708  1717.84    253.372  1732.52    357.526  1703.04    359.123  54.306  6.1890  53.774  6.2845  0.5319901      8.820365  
1 1 1 -26 2   19 o 39.405  5.6989  918.987    236.164  1300.46    332.232  529.350    335.768  46.189  6.8485  28.231  9.3898  17.95766       11.62199  
1 1 1 -26 2   20 o 26.139  8.3263  445.784    265.544  508.800    471.662  416.540    321.303  27.720  10.837  25.465  9.1484  2.254465       14.18237  
1 1 1 -26 2   21 o 36.111  6.5194  806.473    245.600  856.742    349.979  757.697    344.742  35.230  9.1058  32.940  9.2710  2.290348       12.99487  
1 1 1 -26 2   22 o 24.165  7.9683  384.622    241.992  445.806    341.950  323.239    342.507  25.567  9.4003  23.228  9.1874  2.339708       13.14439  
1 1 1 -26 2   23 o 15.560  6.9053  -1.2442    232.108  -92.1866   319.155  100.858    338.170  16.620  7.6576  19.386  8.4781  -2.765930      11.42443  
1 1 1 -26 2   24 o 20.517  8.1935  241.737    274.828  403.114    332.609  -105.5427  487.925  24.007  9.1761  19.440  9.1266  4.566992       12.94202  
1 1 1 -26 2   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 3   1  o 90.637  3.2511  4484.51    319.155  4070.81    442.620  4932.55    460.626  85.834  4.7800  94.716  4.4901  -8.882050      6.558120  
1 1 1 -26 3   2  o 53.905  4.0074  1601.01    232.296  1601.39    325.682  1600.61    331.426  53.446  5.7146  53.398  5.8249  0.4824829E-01  8.160081  
1 1 1 -26 3   3  o 18.713  7.1312  143.389    200.509  131.155    307.709  152.416    264.333  21.262  8.6063  20.582  8.0933  0.6799431      11.81398  
1 1 1 -26 3   4  o 93.144  3.2350  4735.38    326.357  4703.75    450.498  4770.32    473.432  92.496  4.4968  92.965  4.7173  -0.4692459     6.517196  
1 1 1 -26 3   5  o 74.873  3.4258  3063.05    277.818  2880.90    379.975  3272.28    407.227  72.125  4.8930  76.881  4.9162  -4.755676      6.936123  
1 1 1 -26 3   6  o 38.611  5.4089  840.525    219.990  1069.08    317.667  629.910    304.948  43.112  7.0466  32.598  8.5361  10.51365       11.06888  
1 1 1 -26 3   7  o 16.501  6.8758  42.829     203.898  -95.4193   293.405  171.954    283.558  17.256  7.7039  21.405  8.3933  -4.148899      11.39291  
1 1 1 -26 3   8  o 143.142 3.4594  11207.33   536.339  10946.29   763.202  11462.03   753.879  140.703 5.0080  144.082 4.8308  -3.379486      6.958252  
1 1 1 -26 3   9  o 77.603  3.4239  3294.75    287.789  3006.30    395.399  3619.71    419.676  73.551  4.9929  80.805  4.8171  -7.253761      6.937820  
1 1 1 -26 3   10 o 63.589  3.7455  2225.62    256.827  2046.54    351.671  2430.29    375.962  60.431  5.4309  65.939  5.3092  -5.507927      7.594843  
1 1 1 -26 3   11 o 41.294  5.0145  958.924    219.678  895.188    314.190  1019.88    307.269  38.947  7.7209  41.912  7.0169  -2.964020      10.43306  
1 1 1 -26 3   12 o 106.354 2.8967  6178.66    333.682  6033.51    427.415  6405.19    533.967  104.786 3.7660  107.593 4.5821  -2.806557      5.931075  
1 1 1 -26 3   13 o 85.106  3.3944  3972.86    312.888  4238.58    380.401  3417.09    550.148  87.688  4.0053  77.318  6.6337  10.37012       7.749052  
1 1 1 -26 3   14 o 24.506  6.4080  353.371    172.010  438.463    241.656  265.985    244.892  27.111  7.8064  22.470  7.9958  4.641420       11.17469  
1 1 1 -26 3   15 o 38.705  5.5089  856.738    224.426  899.315    315.717  813.247    319.084  38.732  7.7958  36.599  8.2470  2.132030       11.34847  
1 1 1 -26 3   16 o 19.671  7.3298  185.663    209.193  150.890    292.032  222.313    299.808  20.758  8.3905  22.289  8.6607  -1.531260      12.05853  
1 1 1 -26 3   17 o 48.447  4.6691  1326.33    241.966  1494.58    341.086  1155.89    343.308  50.594  6.3652  43.800  7.5068  6.794319       9.842130  
1 1 1 -26 3   18 o 22.253  7.7189  285.963    227.208  279.604    305.558  293.828    339.806  23.065  8.8001  23.800  9.2280  -0.7347755     12.75140  
1 1 1 -26 3   19 o 14.504  6.5123  -55.5620   212.871  -169.8925  297.722  64.020     304.483  15.726  7.2985  18.925  8.1619  -3.198490      10.94922  
1 1 1 -26 3   20 o 24.635  7.7747  387.461    231.941  299.665    331.872  471.291    324.289  23.193  9.0842  26.671  9.2233  -3.477669      12.94572  
1 1 1 -26 3   21 o 26.886  7.6859  472.414    235.038  471.519    336.903  473.263    328.060  26.419  9.3808  26.458  9.2696  -0.3952789E-01 13.18805  
1 1 1 -26 3   22 o 16.769  7.1868  61.506     233.299  30.589     323.193  95.143     337.116  18.383  8.1536  19.528  8.5047  -1.145107      11.78181  
1 1 1 -26 3   23 o 24.188  8.1160  395.982    250.785  642.892    361.156  166.062    348.509  29.226  9.7392  20.460  8.7768  8.765787       13.11050  
1 1 1 -26 3   24 o 21.204  8.2830  275.660    275.349  110.468    332.214  638.168    492.133  19.179  8.3950  27.733  10.999  -8.554316      13.83676  
1 1 1 -26 3   25 o 29.564  11.251  771.643    498.641  771.643    498.641  0.0000     0.0000   29.564  11.251  ?       ?       0.000000       11.25069  
1 1 1 -26 4   1  o 25.555  6.8998  378.839    195.448  412.863    254.285  329.722    305.526  26.771  8.0874  25.235  8.9362  1.536400       12.05247  
1 1 1 -26 4   2  o 56.236  3.9235  1740.61    237.479  1821.06    331.208  1655.49    340.685  57.122  5.4182  54.293  5.8878  2.828770       8.001442  
1 1 1 -26 4   3  o 60.148  4.1117  1992.97    266.261  1744.56    371.133  2256.42    382.211  55.623  6.2697  63.573  5.6083  -7.950714      8.412063  
1 1 1 -26 4   4  o 67.696  3.6623  2513.97    267.524  2226.85    371.899  2821.86    385.121  63.189  5.4884  71.346  5.0157  -8.156292      7.435023  
1 1 1 -26 4   5  o 20.735  7.2019  221.291    197.824  257.928    264.146  174.496    298.529  22.905  8.2860  21.840  8.5968  1.064623       11.93998  
1 1 1 -26 4   6  o 97.562  3.3162  5198.91    350.426  5196.52    490.680  5201.40    500.624  97.136  4.6639  97.149  4.7578  -0.1258087E-01 6.662452  
1 1 1 -26 4   7  o 90.580  3.4152  4485.21    335.059  4363.27    469.157  4612.15    478.677  88.776  4.8982  91.296  4.8583  -2.519852      6.898950  
1 1 1 -26 4   8  o 71.121  3.6977  2777.90    283.856  2872.50    386.587  2667.23    418.131  71.919  4.9938  69.052  5.6399  2.866455       7.533063  
1 1 1 -26 4   9  o 77.808  3.3565  3310.97    282.865  3781.26    398.657  2834.14    401.419  82.726  4.4658  71.314  5.2336  11.41242       6.879944  
1 1 1 -26 4   10 o 67.670  3.7270  2519.12    272.114  2521.85    380.319  2516.25    389.499  67.190  5.2683  67.060  5.4085  0.1295242      7.550282  
1 1 1 -26 4   11 o 84.946  3.4689  3953.86    319.152  3707.84    447.739  4207.97    455.049  81.566  5.0936  87.026  4.8469  -5.459343      7.031168  
1 1 1 -26 4   12 o 61.258  3.5626  2065.57    235.351  1917.06    279.038  2431.62    438.082  58.750  4.4175  65.432  6.2578  -6.681713      7.659900  
1 1 1 -26 4   13 o 54.113  4.1690  1625.54    242.462  2047.90    286.589  561.974    454.779  60.696  4.3890  31.029  10.912  29.66703       11.76118  
1 1 1 -26 4   14 o 66.939  3.7038  2473.28    267.491  2386.11    311.459  2718.28    522.181  65.485  4.4171  68.499  7.1433  -3.014320      8.398675  
1 1 1 -26 4   15 o 17.452  7.2460  65.042     225.286  -177.3896  317.752  310.084    319.459  16.777  7.6970  24.529  9.0741  -7.751791      11.89887  
1 1 1 -26 4   16 f 57.383  4.0711  1833.23    251.384  2127.00    352.049  1527.63    359.076  61.240  5.3616  51.210  6.6295  10.03036       8.526218  
1 1 1 -26 4   17 o 71.115  3.6633  2805.07    281.209  2296.51    393.883  3333.78    401.608  63.191  5.8203  76.880  4.8479  -13.68840      7.574839  
1 1 1 -26 4   18 o 52.483  4.4091  1557.96    248.311  1250.81    348.003  1876.53    354.414  45.330  7.3389  56.756  5.8492  -11.42546      9.384727  
1 1 1 -26 4   19 o 42.916  6.0317  1098.31    272.632  1362.11    402.549  874.787    370.554  46.062  8.3774  35.930  9.4101  10.13171       12.59884  
1 1 1 -26 4   20 o 55.397  4.4594  1756.87    265.300  1599.11    377.865  1910.24    372.573  50.872  7.0471  56.411  6.2001  -5.539558      9.386341  
1 1 1 -26 4   21 o 43.688  5.4167  1131.54    250.814  1416.98    358.065  856.578    351.437  47.505  7.1834  35.188  9.1393  12.31746       11.62445  
1 1 1 -26 4   22 o 41.449  5.7768  1039.97    252.290  1014.56    346.171  1068.77    368.453  38.681  8.4952  39.382  8.8532  -0.7015724     12.26978  
1 1 1 -26 4   23 o 31.451  7.3299  653.044    245.074  818.628    336.648  466.352    357.461  33.749  9.0317  25.595  9.5727  8.154652       13.16086  
1 1 1 -26 4   24 o 16.999  7.4939  42.599     268.981  92.625     323.533  -69.3771   484.045  18.787  8.2526  19.674  9.1890  -0.8861675     12.35079  
1 1 1 -26 4   25 o 21.756  9.7647  176.416    478.086  176.416    478.086  0.0000     0.0000   21.756  9.7647  ?       ?       0.000000       9.764667  
1 1 1 -26 5   1  o 24.875  6.9465  357.732    194.331  452.480    252.656  220.482    304.087  27.863  7.9700  22.874  8.7665  4.989107       11.84792  
1 1 1 -26 5   2  o 52.916  4.0217  1543.38    228.771  1506.26    313.619  1585.60    334.447  51.825  5.6802  53.112  5.9143  -1.287128      8.200232  
1 1 1 -26 5   3  o 28.400  7.1703  470.741    220.596  591.437    319.719  361.076    304.758  31.636  8.9367  25.945  8.9430  5.691048       12.64286  
1 1 1 -26 5   4  o 85.144  3.4106  3960.54    314.526  3308.90    446.155  4604.38    443.473  77.155  5.3724  91.518  4.4740  -14.36281      6.991372  
1 1 1 -26 5   5  o 66.874  3.6104  2452.91    260.540  2694.40    354.237  2168.32    384.544  69.795  4.7136  62.244  5.7696  7.551136       7.450219  
1 1 1 -26 5   6  o 29.003  6.8087  489.984    210.222  303.630    280.486  728.845    317.551  24.237  8.5644  35.055  8.4602  -10.81873      12.03846  
1 1 1 -26 5   7  o 38.586  5.5331  841.707    224.624  1167.48    301.837  437.349    336.278  45.309  6.3229  27.971  9.3981  17.33857       11.32710  
1 1 1 -26 5   8  o 92.939  3.2453  4719.17    326.682  4415.87    440.591  5089.53    486.862  89.409  4.5650  96.062  4.6793  -6.653542      6.537188  
1 1 1 -26 5   9  o 100.369 3.2180  5505.19    349.832  5173.78    482.814  5871.48    507.588  96.846  4.6029  103.194 4.5414  -6.348564      6.466092  
1 1 1 -26 5   10 o 70.109  3.7117  2703.29    280.849  2802.60    392.476  2599.07    402.058  70.897  5.1462  68.123  5.4959  2.773582       7.529164  
1 1 1 -26 5   11 o 54.623  3.6398  1643.82    214.104  1629.37    266.769  1669.97    358.910  54.110  4.5953  54.193  6.2278  -0.8300018E-01 7.739689  
1 1 1 -26 5   12 o 88.260  3.2007  4263.43    305.970  4220.30    360.394  4374.77    579.035  87.624  3.7974  88.000  6.1130  -0.3757553     7.196452  
1 1 1 -26 5   13 o 81.785  3.4260  3669.93    303.479  3798.31    356.395  3331.32    578.814  83.021  3.9635  76.031  7.1113  6.989426       8.141249  
1 1 1 -26 5   14 o 73.363  3.7660  2971.25    298.237  2903.99    353.540  3137.21    555.362  72.214  4.5432  73.691  7.0439  -1.476799      8.381998  
1 1 1 -26 5   15 o 60.324  4.1109  2021.23    266.994  2110.61    367.243  1921.02    388.856  61.001  5.6216  57.839  6.3096  3.162148       8.450588  
1 1 1 -26 5   16 o 39.535  5.6494  899.643    235.029  1224.49    315.553  494.908    352.224  45.811  6.5458  28.634  9.6184  17.17704       11.63444  
1 1 1 -26 5   17 o 19.034  7.3357  160.459    213.723  13.602     296.658  318.936    308.171  18.433  8.0028  24.211  8.9206  -5.777655      11.98422  
1 1 1 -26 5   18 o 26.320  7.4109  429.111    220.233  163.712    309.213  702.354    313.750  20.924  8.5676  33.043  8.6612  -12.11940      12.18282  
1 1 1 -26 5   19 o 37.202  6.3201  836.737    245.550  859.227    335.086  810.652    360.866  36.138  8.6716  34.554  9.3949  1.584332       12.78516  
1 1 1 -26 5   20 o 59.227  4.3999  2004.31    280.231  2182.12    413.873  1853.78    380.803  60.070  6.4629  55.319  6.4783  4.751408       9.150822  
1 1 1 -26 5   21 o 45.990  5.1447  1242.66    251.879  1395.50    357.150  1091.41    355.279  47.089  7.2340  40.617  8.3547  6.471832       11.05139  
1 1 1 -26 5   22 o 21.511  7.9121  281.241    242.281  701.781    349.299  -108.6777  336.342  31.139  9.4948  17.020  7.8490  14.11850       12.31901  
1 1 1 -26 5   23 o 16.734  7.1741  69.204     232.596  358.740    316.943  -268.7354  342.412  23.402  8.9544  15.482  7.3789  7.920107       11.60301  
1 1 1 -26 5   24 o 20.192  8.1200  226.582    271.978  123.692    326.917  457.895    490.176  19.276  8.3849  25.228  10.597  -5.952122      13.51299  
1 1 1 -26 5   25 o 22.025  10.204  95.663     578.382  95.663     578.382  0.0000     0.0000   22.025  10.204  ?       ?       0.000000       10.20447  
1 1 1 -26 6   1  o 42.572  4.5047  1007.24    204.555  1112.03    278.871  885.191    300.958  44.356  5.9552  39.051  7.3860  5.304760       9.487765  
1 1 1 -26 6   2  o 50.495  4.0898  1407.07    221.754  1275.66    298.002  1570.12    331.954  47.574  5.9107  52.852  5.8995  -5.277924      8.351079  
1 1 1 -26 6   3  o 115.184 3.2713  7243.00    408.115  7235.18    579.471  7250.69    574.879  114.647 4.6666  114.787 4.6240  -0.1396637     6.569473  
1 1 1 -26 6   4  o 109.813 3.2687  6583.48    388.775  6304.81    543.003  6876.59    556.881  107.012 4.6849  111.792 4.5992  -4.780304      6.565131  
1 1 1 -26 6   5  o 45.632  4.7849  1159.28    232.975  1396.46    323.686  904.340    335.588  49.725  6.1406  39.225  8.1645  10.49936       10.21598  
1 1 1 -26 6   6  o 134.190 3.3298  9837.02    483.966  9588.96    673.370  10102.08   696.056  131.915 4.7129  135.382 4.7469  -3.466599      6.689168  
1 1 1 -26 6   7  o 107.351 3.3432  6297.83    388.728  6280.19    542.430  6316.45    557.362  106.735 4.6921  106.995 4.8095  -0.2599182     6.719180  
1 1 1 -26 6   8  o 102.613 3.3425  5756.11    371.484  5643.56    511.053  5882.21    540.936  101.158 4.6644  103.203 4.8393  -2.045486      6.721258  
1 1 1 -26 6   9  o 70.615  3.4420  2728.59    263.255  2549.71    367.071  2918.04    377.757  67.687  5.0432  72.510  4.8378  -4.822845      6.988386  
1 1 1 -26 6   10 o 12.977  5.9301  -113.9506  186.123  -100.7826  255.033  -128.9559  272.244  15.830  7.1164  16.046  7.2698  -0.2154303     10.17314  
1 1 1 -26 6   11 o 82.578  3.2252  3730.83    288.470  3838.98    341.178  3459.65    540.247  83.612  3.7674  78.112  6.4431  5.500244       7.463727  
1 1 1 -26 6   12 o 11.491  5.4094  -178.4417  173.466  -410.6053  211.612  297.141    302.870  10.772  5.2867  24.209  8.8550  -13.43637      10.31311  
1 1 1 -26 6   13 o 71.816  3.5114  2831.82    273.133  2472.93    317.169  3861.80    537.311  66.712  4.4145  82.569  6.0502  -15.85756      7.489536  
1 1 1 -26 6   14 o 18.875  7.3799  139.111    218.739  91.395     266.493  237.637    382.940  19.164  7.9125  24.283  9.6798  -5.119297      12.50224  
1 1 1 -26 6   15 o 67.682  3.8356  2534.36    280.019  2639.18    326.357  2241.84    545.182  68.844  4.3998  61.231  8.4454  7.613838       9.522716  
1 1 1 -26 6   16 o 66.831  3.8319  2476.74    276.216  2333.56    374.465  2647.61    409.082  64.107  5.4446  68.230  5.5846  -4.122627      7.799400  
1 1 1 -26 6   17 o 46.378  4.9875  1224.22    246.599  966.441    355.911  1462.23    341.993  39.337  8.5938  49.953  6.4732  -10.61551      10.75904  
1 1 1 -26 6   18 o 48.375  2.5774  1287.47    134.553  1571.60    343.873  1236.10    146.211  51.601  6.2824  47.309  2.8669  4.291714       6.905673  
1 1 1 -26 6   19 o 36.208  6.3011  793.416    238.137  868.099    341.217  722.496    332.507  36.226  8.7866  32.802  9.0597  3.423271       12.62070  
1 1 1 -26 6   20 o 22.588  7.9295  311.264    240.120  312.184    358.322  310.514    323.504  23.684  9.3879  23.298  9.0121  0.3865013      13.01347  
1 1 1 -26 6   21 o 36.569  6.2663  819.796    239.263  881.054    333.464  754.797    343.497  36.124  8.6394  32.859  9.2563  3.264378       12.66169  
1 1 1 -26 6   22 o 14.220  6.4890  -78.6854   221.842  120.117    309.711  -288.1578  317.914  19.375  8.2915  14.821  7.0767  4.553118       10.90084  
1 1 1 -26 6   23 o 16.050  7.0339  27.043     233.864  21.180     317.714  33.977     345.498  17.928  8.0093  18.641  8.3383  -0.7131786     11.56185  
1 1 1 -26 6   24 o 29.213  9.4051  647.866    338.125  647.866    338.125  0.0000     0.0000   29.213  9.4051  ?       ?       0.000000       9.405070  
1 1 1 -26 6   25 f 23.489  10.197  330.459    481.496  330.459    481.496  0.0000     0.0000   23.489  10.197  ?       ?       0.000000       10.19684  
1 1 1 -26 7   1  o 93.001  3.1824  4720.32    320.566  4566.61    435.766  4901.62    473.248  91.151  4.4139  94.365  4.6303  -3.214638      6.397029  
1 1 1 -26 7   2  o 79.197  3.2589  3424.14    279.549  3445.27    382.539  3399.92    409.523  79.038  4.4871  78.396  4.8467  0.6412201      6.604894  
1 1 1 -26 7   3  o 46.339  4.4308  1190.43    219.673  1140.92    292.433  1254.54    332.796  44.872  6.1811  46.901  6.7453  -2.029453      9.149062  
1 1 1 -26 7   4  o 33.880  6.1477  657.616    217.287  539.095    292.871  802.737    324.074  30.271  8.5539  36.875  8.3128  -6.603327      11.92783  
1 1 1 -26 7   5  o 12.845  6.0221  -205.3499  211.239  -130.9194  310.382  -269.5717  288.311  17.360  7.8230  15.035  7.0447  2.325070       10.52743  
1 1 1 -26 7   6  o 12.865  5.9428  -147.6203  194.053  -187.0544  255.057  -93.4192   299.023  14.764  6.8177  17.470  7.7899  -2.705571      10.35203  
1 1 1 -26 7   7  o 45.604  4.7903  1159.22    233.076  862.255    310.250  1543.95    353.135  38.364  7.7336  52.185  6.3807  -13.82045      10.02604  
1 1 1 -26 7   8  o 45.774  4.6543  1166.77    227.540  1099.24    294.106  1267.45    359.127  43.895  6.3723  46.843  7.3177  -2.947952      9.703338  
1 1 1 -26 7   9  o 59.205  3.9378  1932.42    251.071  1833.79    339.771  2051.05    372.637  57.167  5.5577  60.409  5.7652  -3.241737      8.007843  
1 1 1 -26 7   10 o 56.205  4.0136  1745.06    242.724  1814.36    344.142  1676.48    342.391  56.773  5.6726  54.469  5.8979  2.303905       8.183101  
1 1 1 -26 7   11 o 40.555  4.7823  922.466    206.023  886.951    248.118  1001.32    369.710  39.372  6.0087  40.867  8.6235  -1.495243      10.51047  
1 1 1 -26 7   12 o 53.659  4.0269  1594.15    232.330  1635.08    268.346  1471.62    464.271  54.163  4.6184  49.483  8.9939  4.680065       10.11034  
1 1 1 -26 7   13 o 74.443  3.5574  3044.03    286.827  3022.75    337.562  3099.30    543.995  73.851  4.2379  73.418  6.9228  0.4332733      8.116939  
1 1 1 -26 7   14 o 72.705  2.7996  2889.51    220.461  2768.74    335.977  2980.82    292.154  70.555  4.4188  73.602  3.6648  -3.047012      5.740836  
1 1 1 -26 7   15 o 107.345 3.3815  6330.61    393.156  6378.89    457.334  6193.87    769.615  107.486 3.9283  103.686 6.8923  3.799965       7.933175  
1 1 1 -26 7   16 o 92.434  3.0354  4687.96    303.890  4845.48    483.993  4585.45    390.449  92.945  4.8243  91.003  3.9613  1.942116       6.242280  
1 1 1 -26 7   17 o 80.578  3.5518  3589.34    309.983  3532.75    422.741  3655.15    455.899  79.042  4.9631  80.184  5.2789  -1.141983      7.245671  
1 1 1 -26 7   18 o 40.519  5.9008  966.161    251.362  1073.28    348.279  849.698    363.147  41.424  8.0526  35.989  9.2621  5.435093       12.27322  
1 1 1 -26 7   19 o 43.797  5.5099  1127.96    255.586  1091.45    377.839  1158.76    347.031  40.711  8.8235  42.837  7.7655  -2.126263      11.75406  
1 1 1 -26 7   20 o 15.784  6.8773  13.160     220.686  53.948     310.575  -28.4367   313.642  18.749  8.1643  17.703  7.9298  1.046883       11.38145  
1 1 1 -26 7   21 o 21.354  7.6883  273.205    227.044  345.045    315.327  195.864    327.178  23.676  8.9619  21.082  8.7408  2.594362       12.51866  
1 1 1 -26 7   22 f 34.761  6.6282  760.350    240.444  898.959    334.716  612.558    345.624  36.147  8.6625  29.097  9.5194  7.050203       12.87087  
1 1 1 -26 7   23 o 19.950  7.6896  227.051    234.868  46.473     320.750  435.804    344.866  18.313  8.1225  24.971  9.3901  -6.658270      12.41569  
1 1 1 -26 7   24 o 15.117  7.1657  -214.1734  314.207  -214.1734  314.207  0.0000     0.0000   15.117  7.1657  ?       ?       0.000000       7.165692  
1 1 1 -26 7   25 o 21.284  9.5944  139.258    467.290  139.258    467.290  0.0000     0.0000   21.284  9.5944  ?       ?       0.000000       9.594352  
1 1 1 -26 8   1  o 49.273  4.3067  1343.25    227.532  1528.40    319.355  1152.38    324.258  52.176  5.7464  44.855  6.8951  7.320526       8.975695  
1 1 1 -26 8   2  o 28.988  6.1434  484.773    186.893  396.049    239.048  624.277    299.748  26.215  7.8239  32.482  8.4424  -6.266514      11.51031  
1 1 1 -26 8   3  o 97.813  3.1911  5221.36    338.065  5498.78    465.525  4911.81    491.743  100.066 4.2952  94.285  4.8316  5.780891       6.464762  
1 1 1 -26 8   4  o 112.941 3.2439  6963.38    396.817  6566.81    553.062  7384.14    569.674  109.209 4.6757  115.861 4.5396  -6.651642      6.516910  
1 1 1 -26 8   5  o 35.830  5.8055  730.116    217.591  835.056    295.900  606.555    321.081  37.860  7.4812  31.985  8.9279  5.875858       11.64796  
1 1 1 -26 8   6  o 70.653  3.5658  2737.53    271.985  2683.00    367.454  2803.61    404.500  69.556  4.9090  70.974  5.3002  -1.417618      7.224298  
1 1 1 -26 8   7  o 36.136  5.8710  744.148    221.900  915.551    294.753  519.924    337.125  39.770  7.1033  29.864  9.3658  9.906511       11.75480  
1 1 1 -26 8   8  o 89.197  3.2976  4348.70    318.584  4179.24    427.385  4560.62    477.931  86.967  4.5531  90.725  4.8817  -3.757927      6.675415  
1 1 1 -26 8   9  o 45.602  4.6017  1158.32    224.175  1434.38    307.766  846.325    327.186  50.435  5.7360  37.757  8.2328  12.67821       10.03396  
1 1 1 -26 8   10 o 106.637 3.2070  6218.10    370.402  6167.13    433.847  6355.13    711.403  106.001 3.7788  106.247 6.2090  -0.2464523     7.268504  
1 1 1 -26 8   11 f 113.962 3.0891  7099.93    381.291  7448.75    452.359  6243.95    708.616  116.538 3.5838  105.192 6.2476  11.34602       7.202479  
1 1 1 -26 8   12 o 42.034  5.0978  996.067    227.344  1082.08    267.780  774.013    430.250  43.589  5.8171  35.328  10.486  8.260941       11.99119  
1 1 1 -26 8   13 o 20.214  7.3883  200.043    210.794  168.225    249.888  278.545    392.508  20.319  7.9037  25.206  9.8774  -4.886217      12.65034  
1 1 1 -26 8   14 o 43.664  5.2478  1080.18    243.212  1056.88    292.811  1132.01    436.761  42.680  6.5429  42.687  9.6706  -0.7328033E-02 11.67607  
1 1 1 -26 8   15 o 29.810  7.1942  531.638    229.622  570.132    266.831  421.763    450.807  30.666  7.9629  28.246  10.710  2.420284       13.34569  
1 1 1 -26 8   16 o 36.348  5.8614  766.732    222.904  655.078    308.287  889.049    322.673  32.491  8.6188  38.189  8.0546  -5.698040      11.79667  
1 1 1 -26 8   17 o 16.937  7.1003  57.339     219.359  -133.3271  289.811  313.097    335.655  16.228  7.4097  24.402  9.2439  -8.173655      11.84710  
1 1 1 -26 8   18 o 32.806  6.9361  658.132    238.751  538.824    319.759  808.445    358.911  28.878  9.1302  35.044  9.3013  -6.165359      13.03361  
1 1 1 -26 8   19 o 27.534  7.7170  485.825    239.382  664.424    326.418  277.999    352.115  31.417  9.0805  23.200  9.2710  8.216990       12.97712  
1 1 1 -26 8   20 o 16.894  7.1641  64.883     227.483  -352.4985  329.402  445.435    314.533  14.808  7.1057  26.052  9.0793  -11.24399      11.52929  
1 1 1 -26 8   21 o 38.623  6.1946  911.222    250.380  983.810    360.346  843.463    348.151  37.959  8.9163  34.878  9.1148  3.081009       12.75069  
1 1 1 -26 8   22 o 16.379  7.1123  38.557     234.389  -73.0288   338.972  140.790    324.456  17.445  7.9837  19.929  8.5065  -2.483929      11.66619  
1 1 1 -26 8   23 o 33.130  7.0185  712.923    244.012  682.133    335.926  747.316    355.039  30.413  9.3183  31.625  9.5568  -1.212353      13.34780  
1 1 1 -26 8   24 o 17.924  8.1033  6.2494     336.151  6.2494     336.151  0.0000     0.0000   17.924  8.1033  ?       ?       0.000000       8.103319  
1 1 1 -26 9   1  o 82.549  3.2905  3721.24    294.201  3752.41    412.903  3689.09    419.296  82.432  4.6436  81.692  4.7595  0.7405167      6.649472  
1 1 1 -26 9   2  o 66.252  3.4882  2405.64    249.423  2146.42    322.173  2793.44    394.060  62.229  4.8176  70.923  5.1654  -8.694172      7.063278  
1 1 1 -26 9   3  o 52.553  4.1682  1524.61    235.309  1281.66    319.516  1812.53    347.840  47.536  6.3657  56.879  5.7239  -9.343296      8.560655  
1 1 1 -26 9   4  o 72.815  3.5408  2899.05    279.251  2772.51    383.074  3042.54    407.938  70.697  5.0357  74.046  5.1179  -3.349854      7.179946  
1 1 1 -26 9   5  o 50.851  4.2002  1428.98    229.266  1606.76    304.485  1196.23    348.395  53.635  5.3112  45.557  7.3077  8.078304       9.033934  
1 1 1 -26 9   6  o 61.481  3.7392  2077.42    247.814  2131.61    340.807  2016.62    360.987  61.888  5.1306  60.023  5.6180  1.864498       7.608252  
1 1 1 -26 9   7  o 113.983 3.2803  7098.57    404.975  6776.09    572.805  7420.86    572.638  110.819 4.7723  116.067 4.5551  -5.248192      6.597245  
1 1 1 -26 9   8  o 15.051  6.4626  -2.0285    189.290  78.931     235.101  -151.2341  319.164  18.217  7.4663  17.337  7.8617  0.8794174      10.84210  
1 1 1 -26 9   9  o 37.303  5.6818  791.390    222.314  833.312    288.301  729.897    349.168  37.764  7.3127  34.793  9.1453  2.971149       11.70948  
1 1 1 -26 9   10 o 14.127  6.1357  -17.8950   174.497  4.0875     209.881  -67.1077   314.032  15.900  6.8155  18.196  8.0555  -2.296488      10.55190  
1 1 1 -26 9   11 o 57.020  3.6836  1791.69    226.275  1690.48    266.414  2053.70    428.669  55.144  4.4998  59.922  6.7207  -4.778111      8.088000  
1 1 1 -26 9   12 o 24.873  7.1867  362.304    204.494  394.634    237.871  270.740    400.318  25.948  7.8184  25.297  9.9558  0.6509323      12.65875  
1 1 1 -26 9   13 o 70.444  3.6253  2734.52    275.665  2846.55    322.025  2427.28    533.289  71.680  4.1658  64.378  7.8079  7.302574       8.849716  
1 1 1 -26 9   14 o 40.235  5.3995  921.680    229.367  847.331    269.441  1117.36    437.116  38.030  6.7904  42.367  9.7307  -4.336864      11.86580  
1 1 1 -26 9   15 o 77.822  3.5415  3332.61    298.514  3132.63    346.495  3908.44    587.956  75.066  4.2795  82.431  6.6418  -7.364998      7.901102  
1 1 1 -26 9   16 o 31.207  5.9177  569.865    192.702  586.971    275.212  553.412    269.908  30.910  8.1166  30.029  8.1086  0.8810444      11.47296  
1 1 1 -26 9   17 o 37.552  5.9795  825.594    235.045  960.568    312.097  648.719    357.273  39.769  7.5212  31.765  9.5841  8.003899       12.18292  
1 1 1 -26 9   18 o 59.048  2.6252  1914.73    167.896  1698.72    367.305  1971.79    188.771  53.481  6.4727  59.825  2.9133  -6.343792      7.098123  
1 1 1 -26 9   19 o 13.850  6.3887  -125.3041  223.086  -149.0923  300.021  -95.8877   333.630  15.989  7.3873  17.490  7.9721  -1.501176      10.86856  
1 1 1 -26 9   20 o 17.860  7.2504  124.618    219.070  -1.0268    304.417  259.582    315.505  17.827  7.9097  22.218  8.8084  -4.391441      11.83856  
1 1 1 -26 9   21 o 22.129  7.7177  303.566    227.288  247.521    313.857  365.371    329.589  21.762  8.7328  24.147  9.1570  -2.385235      12.65357  
1 1 1 -26 9   22 o 20.739  7.6808  255.807    229.016  105.430    316.309  421.489    332.017  19.242  8.3087  24.979  9.2487  -5.737087      12.43273  
1 1 1 -26 9   23 f 18.890  7.8068  158.250    259.773  167.066    319.534  141.066    446.117  20.006  8.4877  21.425  9.5371  -1.418335      12.76704  
1 1 1 -26 9   24 o 27.624  10.160  602.315    399.536  602.315    399.536  0.0000     0.0000   27.624  10.160  ?       ?       0.000000       10.16037  
1 1 1 -26 10  1  o 58.216  3.6107  1860.95    226.544  1654.39    300.936  2131.10    344.162  54.480  5.1616  61.883  5.1825  -7.403446      7.314344  
1 1 1 -26 10  2  o 43.282  4.3857  1039.58    202.758  773.745    260.869  1445.22    322.245  36.612  6.8298  50.641  5.9912  -14.02893      9.085211  
1 1 1 -26 10  3  o 105.901 3.2087  6121.73    368.049  6006.54    509.603  6247.32    532.129  104.503 4.5023  106.537 4.6115  -2.033768      6.444909  
1 1 1 -26 10  4  o 78.301  3.4276  3350.62    290.688  2945.07    398.537  3811.64    424.920  72.850  5.0827  83.044  4.7439  -10.19360      6.952623  
1 1 1 -26 10  5  o 52.874  4.0965  1542.89    232.768  1245.71    307.313  1942.82    356.506  46.883  6.2044  58.904  5.6576  -12.02076      8.396554  
1 1 1 -26 10  6  o 30.629  6.5717  544.398    211.485  444.149    277.267  683.858    327.025  27.690  8.4627  33.861  8.8267  -6.171156      12.22816  
1 1 1 -26 10  7  o 66.109  3.7654  2402.28    268.500  2431.41    360.230  2365.88    402.753  66.119  5.0688  64.960  5.7848  1.158623       7.691347  
1 1 1 -26 10  8  o 35.958  5.1618  729.789    195.267  663.111    267.840  805.434    285.282  33.564  7.5504  37.129  7.3542  -3.564320      10.54007  
1 1 1 -26 10  9  o 21.990  6.7637  274.255    176.787  290.721    214.975  239.857    310.718  22.900  7.5084  23.271  8.8751  -0.3707600     11.62512  
1 1 1 -26 10  10 o 43.747  4.2951  1064.24    200.886  1014.82    236.583  1191.94    380.314  42.433  5.2605  44.950  8.1101  -2.516975      9.666738  
1 1 1 -26 10  11 o 84.237  3.2444  3883.44    296.012  3621.36    337.758  4751.41    614.669  81.175  3.8416  91.714  6.2246  -10.53915      7.314654  
1 1 1 -26 10  12 o 37.269  5.9266  797.297    231.226  744.835    272.452  932.377    437.185  35.509  7.3270  38.663  10.267  -3.153412      12.61358  
1 1 1 -26 10  13 o 56.232  4.1976  1756.08    253.814  1782.07    299.251  1689.45    479.134  56.379  4.9507  53.125  8.6226  3.253628       9.942786  
1 1 1 -26 10  14 o 107.118 3.4127  6301.18    395.943  6445.70    466.781  5930.46    747.613  108.066 3.9880  101.634 6.8312  6.431992       7.910096  
1 1 1 -26 10  15 o 55.334  4.1686  1704.32    247.996  1614.65    286.482  1972.42    495.361  53.534  4.9986  57.486  8.1872  -3.951954      9.592531  
1 1 1 -26 10  16 o 69.793  3.7832  2700.54    284.914  2710.03    330.853  2673.31    560.469  69.629  4.4099  66.951  7.8799  2.677872       9.029893  
1 1 1 -26 10  17 o 39.806  5.4608  915.599    229.236  840.716    312.932  1002.32    336.754  36.833  8.0674  40.353  7.9876  -3.519917      11.35272  
1 1 1 -26 10  18 o 66.250  3.8671  2457.82    276.279  2334.54    388.157  2584.41    393.328  63.345  5.7191  66.856  5.4800  -3.510166      7.920789  
1 1 1 -26 10  19 o 32.956  6.9465  675.653    240.140  689.622    344.061  662.384    335.327  31.805  9.3602  31.244  9.2533  0.5617085      13.16194  
1 1 1 -26 10  20 o 37.293  6.0720  840.962    236.823  807.928    327.337  877.245    343.052  34.698  8.7203  36.101  8.8434  -1.402805      12.41971  
1 1 1 -26 10  21 o 34.340  6.6449  736.551    238.215  656.666    329.206  824.352    345.132  30.614  9.1917  34.429  9.1128  -3.815407      12.94335  
1 1 1 -26 10  22 o 17.044  7.1806  88.598     226.141  -7.4944    312.108  194.800    328.115  17.590  7.8927  20.794  8.6983  -3.204117      11.74538  
1 1 1 -26 10  23 o 38.627  7.5737  987.416    305.536  893.311    389.368  1138.22    492.896  34.253  9.9225  37.043  11.275  -2.790604      15.01958  
1 1 1 -26 10  24 o 44.610  8.3912  1378.40    390.558  1378.40    390.558  0.0000     0.0000   44.610  8.3912  ?       ?       0.000000       8.391244  
1 1 1 -26 11  1  o 87.512  3.1186  4179.20    295.598  3980.43    400.747  4416.41    437.782  84.988  4.3683  89.475  4.5322  -4.486389      6.294637  
1 1 1 -26 11  2  o 30.182  6.1051  524.623    192.722  600.906    240.372  387.333    322.472  32.101  7.1017  26.733  9.2001  5.367550       11.62226  
1 1 1 -26 11  3  o 24.424  7.3222  341.437    209.024  470.119    284.823  191.242    307.712  28.435  8.5524  22.359  8.7501  6.076162       12.23549  
1 1 1 -26 11  4  o 101.070 3.2424  5577.70    354.943  5270.95    477.700  5955.79    530.348  97.879  4.5060  103.968 4.7097  -6.089066      6.518098  
1 1 1 -26 11  5  f 129.490 3.3119  9160.15    464.496  8839.69    647.324  9500.30    666.905  126.639 4.7194  131.300 4.6895  -4.661186      6.653136  
1 1 1 -26 11  6  o 109.838 3.2918  6591.24    391.611  6434.83    544.025  6759.44    564.169  108.057 4.6483  110.726 4.7042  -2.668777      6.613358  
1 1 1 -26 11  7  o 82.993  3.4143  3766.66    306.908  3529.27    414.353  4055.19    456.814  79.817  4.8155  85.522  4.9528  -5.705460      6.907967  
1 1 1 -26 11  8  o 44.870  4.7886  1123.83    229.123  934.232    309.655  1353.24    340.612  40.030  7.4151  48.670  6.6342  -8.639957      9.949674  
1 1 1 -26 11  9  o 55.292  3.8968  1686.59    231.877  1860.71    267.293  1157.01    466.146  57.981  4.2867  43.481  10.092  14.49921       10.96506  
1 1 1 -26 11  10 o 60.421  3.6569  2009.52    238.191  2084.95    284.935  1834.50    434.019  61.357  4.3150  56.391  7.2758  4.966377       8.459127  
1 1 1 -26 11  11 o 110.456 3.1736  6674.49    379.676  6156.31    435.600  8312.80    774.549  105.852 3.7994  121.793 5.8716  -15.94115      6.993687  
1 1 1 -26 11  12 o 94.445  3.3684  4889.64    344.563  4763.42    399.759  5254.38    679.563  93.000  3.9687  96.098  6.5683  -3.098015      7.674212  
1 1 1 -26 11  13 o 22.328  7.2998  280.650    203.253  208.247    235.094  494.948    404.458  20.901  7.7738  29.321  10.291  -8.420277      12.89744  
1 1 1 -26 11  14 o 46.401  4.9792  1213.27    246.324  1309.49    294.224  987.791    450.406  47.910  5.7873  39.480  10.391  8.429573       11.89430  
1 1 1 -26 11  15 o 35.014  5.9154  710.571    216.343  565.484    251.604  1122.12    423.753  30.604  7.6199  42.431  9.4617  -11.82744      12.14851  
1 1 1 -26 11  16 o 18.803  7.4353  136.038    224.275  186.274    261.026  -5.6376    438.349  20.731  8.0740  21.699  9.5662  -0.9679909     12.51806  
1 1 1 -26 11  17 o 20.800  7.4284  234.104    211.550  205.039    288.720  267.798    310.860  21.475  8.4540  23.091  8.8603  -1.616070      12.24644  
1 1 1 -26 11  18 o 31.159  6.9275  596.896    227.741  291.389    316.025  926.969    328.485  23.303  8.9355  38.240  8.1785  -14.93699      12.11326  
1 1 1 -26 11  19 o 24.037  7.6282  363.069    223.044  693.409    308.188  -0.2649    323.212  32.329  8.6372  18.391  8.1557  13.93746       11.87926  
1 1 1 -26 11  20 o 31.516  6.9936  625.108    232.488  622.085    321.416  628.424    336.691  30.169  9.0877  30.176  9.3428  -0.6973267E-02 13.03359  
1 1 1 -26 11  21 o 49.952  4.9746  1459.42    265.565  1739.36    380.772  1194.27    370.568  52.974  6.7929  42.445  8.3581  10.52847       10.77037  
1 1 1 -26 11  22 o 47.787  5.1874  1354.97    264.180  1307.80    377.396  1400.30    369.928  44.290  8.1682  46.406  7.6248  -2.116539      11.17396  
1 1 1 -26 11  23 o 37.804  7.4895  943.427    295.822  853.464    370.664  1101.26    490.957  33.736  9.6548  36.343  11.287  -2.607491      14.85284  
1 1 1 -26 11  24 o 17.867  8.1513  -23.1636   349.803  -23.1636   349.803  0.0000     0.0000   17.867  8.1513  ?       ?       0.000000       8.151328  
1 1 1 -26 12  1  o 110.927 3.1751  6717.28    381.479  6565.25    524.172  6888.49    556.241  109.253 4.4297  111.846 4.5917  -2.592995      6.380105  
1 1 1 -26 12  2  o 20.865  7.2697  223.880    201.643  345.854    273.968  79.702     297.861  25.165  8.4827  20.072  8.3325  5.093447       11.89059  
1 1 1 -26 12  3  o 11.549  5.5221  -258.1246  195.048  -398.9348  263.468  -87.3676   290.135  12.914  6.2368  17.268  7.6886  -4.353845      9.900106  
1 1 1 -26 12  4  o 22.931  7.1742  295.867    197.945  188.067    253.408  464.595    317.033  21.057  8.0187  28.464  9.1011  -7.407360      12.12965  
1 1 1 -26 12  5  o 77.696  3.4783  3301.08    292.707  3037.69    399.179  3607.40    430.492  73.991  5.0106  80.681  4.9503  -6.690094      7.043515  
1 1 1 -26 12  6  o 134.923 3.3908  9951.75    495.516  10170.84   686.752  9713.82    715.674  135.831 4.6680  132.581 4.9838  3.250031       6.828526  
1 1 1 -26 12  7  o 152.527 3.5154  12731.06   580.753  13038.25   819.572  12421.25   823.057  153.590 4.9267  149.822 5.0721  3.768677       7.070918  
1 1 1 -26 12  8  o 95.696  2.9189  4996.37    302.542  4915.28    374.137  5149.58    514.261  94.719  3.6469  96.369  4.9436  -1.649460      6.143200  
1 1 1 -26 12  9  o 29.238  5.9663  494.150    182.542  507.785    204.267  440.082    406.763  29.500  6.5623  28.616  10.292  0.8840790      12.20610  
1 1 1 -26 12  10 f 67.286  3.4162  2485.69    248.144  2612.70    292.128  2156.58    470.246  68.837  3.9345  61.215  7.2322  7.622055       8.233193  
1 1 1 -26 12  11 o 37.044  5.4957  780.841    213.816  772.218    242.031  811.494    456.309  36.558  6.3425  36.142  10.815  0.4159813      12.53746  
1 1 1 -26 12  12 o 79.570  3.6241  3477.75    312.340  3622.41    365.466  3085.83    601.545  80.918  4.1843  72.821  7.7457  8.097145       8.803674  
1 1 1 -26 12  13 o 16.075  6.9778  -12.2818   225.457  118.703    274.659  -282.8583  394.756  19.908  8.1044  17.988  8.3670  1.919966       11.64854  
1 1 1 -26 12  14 o 37.363  5.8344  803.346    228.388  853.995    268.929  672.312    432.559  38.192  6.7479  32.920  10.642  5.272476       12.60087  
1 1 1 -26 12  15 o 41.506  5.3679  982.417    235.660  1049.79    278.807  813.847    440.996  42.572  6.2310  35.643  10.624  6.929775       12.31658  
1 1 1 -26 12  16 o 80.189  3.5415  3547.46    307.595  3451.33    356.047  3830.32    610.750  78.704  4.1919  80.928  7.0379  -2.223335      8.191677  
1 1 1 -26 12  17 o 18.862  7.4069  148.838    221.122  288.960    318.191  17.964     307.511  23.591  8.9850  18.694  8.1320  4.896887       12.11856  
1 1 1 -26 12  18 o 31.906  2.0588  558.540    70.768   693.249    312.785  551.272    72.652   32.636  8.6930  31.683  2.1295  0.9527912      8.950011  
1 1 1 -26 12  19 o 87.364  3.5338  4261.16    334.386  4499.24    477.087  4031.27    468.809  88.332  5.0073  83.383  5.2172  4.948647       7.231334  
1 1 1 -26 12  20 o 53.288  4.4820  1629.00    256.282  1228.79    354.867  2065.29    370.516  43.901  7.7464  58.898  5.8870  -14.99762      9.729463  
1 1 1 -26 12  21 o 33.000  7.0711  693.286    245.137  647.620    325.213  753.372    373.039  30.432  9.1355  32.286  9.8050  -1.854597      13.40127  
1 1 1 -26 12  22 o 30.133  7.5870  602.180    247.462  410.503    353.695  785.977    346.349  24.774  9.4641  33.050  9.2892  -8.276005      13.26121  
1 1 1 -26 12  23 f 23.185  9.2859  339.457    354.137  339.457    354.137  0.0000     0.0000   23.185  9.2859  ?       ?       0.000000       9.285912  
1 1 1 -26 12  24 f 27.286  10.147  582.361    400.534  582.361    400.534  0.0000     0.0000   27.286  10.147  ?       ?       0.000000       10.14728  
1 1 1 -26 13  1  o 55.490  4.0300  1697.88    240.556  1745.60    325.917  1640.76    356.538  55.861  5.4565  53.884  6.2235  1.976582       8.276793  
1 1 1 -26 13  2  o 101.168 3.2138  5588.44    352.156  5741.12    490.953  5426.64    505.410  102.162 4.4369  99.230  4.7025  2.932114       6.465266  
1 1 1 -26 13  3  o 56.369  3.8821  1749.40    235.575  1688.70    312.809  1828.94    358.065  54.986  5.3189  57.056  5.8783  -2.070728      7.927480  
1 1 1 -26 13  4  o 25.237  7.2775  368.397    209.879  378.143    278.291  355.541    319.607  26.008  8.5436  25.963  9.1456  0.4547310E-01  12.51540  
1 1 1 -26 13  5  o 15.467  6.5742  12.558     192.306  -141.9101  243.327  269.568    313.868  14.897  6.7970  24.022  8.9729  -9.125791      11.25664  
1 1 1 -26 13  6  o 21.733  7.2872  254.711    202.176  309.193    259.367  170.344    322.757  24.023  8.2519  22.259  8.8824  1.764246       12.12399  
1 1 1 -26 13  7  o 87.710  3.3671  4206.58    319.873  4202.62    431.976  4211.37    475.951  87.196  4.5901  87.095  5.0673  0.1009293      6.837200  
1 1 1 -26 13  8  o 64.030  3.4034  2249.20    235.180  2201.60    265.158  2424.73    509.177  63.222  3.8912  65.016  7.3603  -1.794094      8.325540  
1 1 1 -26 13  9  o 38.879  5.2201  853.075    214.264  862.572    247.193  824.382    429.668  38.831  6.0767  36.628  10.365  2.203239       12.01464  
1 1 1 -26 13  10 o 68.458  3.5237  2575.26    260.389  2479.76    296.060  2901.49    547.179  67.002  4.0993  71.112  7.2036  -4.109711      8.288356  
1 1 1 -26 13  11 o 60.313  3.7877  2006.38    246.178  1948.53    279.336  2207.60    520.946  59.251  4.3838  61.444  8.0190  -2.193321      9.139070  
1 1 1 -26 13  12 o 46.678  4.5930  1217.98    229.204  1389.36    260.582  632.144    481.777  49.780  4.8964  32.527  11.242  17.25278       12.26237  
1 1 1 -26 13  13 o 49.124  4.4849  1347.64    235.990  1123.66    274.391  1984.06    462.538  44.339  5.8570  58.269  7.5032  -13.92994      9.518555  
1 1 1 -26 13  14 o 46.975  4.5754  1236.04    229.835  1219.41    265.650  1285.55    458.326  46.362  5.3909  45.577  9.5883  0.7852097      10.99994  
1 1 1 -26 13  15 o 24.967  7.2319  370.583    206.841  295.214    238.512  599.194    415.395  23.024  7.9130  31.183  10.445  -8.158413      13.10432  
1 1 1 -26 13  16 o 49.223  5.0473  1374.98    265.283  1307.90    310.842  1554.84    508.985  47.460  6.1948  49.505  9.8393  -2.045010      11.62703  
1 1 1 -26 13  17 o 19.987  7.6730  187.493    233.196  268.806    274.139  -25.3818   443.563  22.521  8.3910  21.258  9.4829  1.263023       12.66235  
1 1 1 -26 13  18 o 29.588  7.3421  547.772    234.177  624.484    335.104  474.553    327.385  30.684  9.2874  27.208  9.2723  3.475470       13.12374  
1 1 1 -26 13  19 f 49.916  4.7038  1434.02    251.307  1275.57    346.949  1608.90    364.503  45.243  7.3310  51.417  6.7048  -6.173298      9.934678  
1 1 1 -26 13  20 o 52.422  4.5459  1579.57    255.552  1739.39    351.797  1401.03    371.845  53.791  6.1487  47.094  7.5447  6.697334       9.732859  
1 1 1 -26 13  21 o 24.536  7.8472  392.582    235.684  469.558    330.840  313.265    335.831  26.270  9.2995  23.170  9.1188  3.100012       13.02428  
1 1 1 -26 13  22 o 35.246  1.4257  677.171    54.424   251.837    349.600  687.735    55.096   21.960  9.0645  35.518  1.4322  -13.55819      9.176898  
1 1 1 -26 13  23 o 29.504  10.208  680.353    397.286  680.353    397.286  0.0000     0.0000   29.504  10.208  ?       ?       0.000000       10.20844  
1 1 1 -26 13  24 o 31.613  9.7897  774.104    369.647  774.104    369.647  0.0000     0.0000   31.613  9.7897  ?       ?       0.000000       9.789704  
1 1 1 -26 14  1  o 20.868  7.1264  229.599    193.386  324.132    241.848  61.985     322.036  24.204  7.9652  20.412  8.5824  3.791845       11.70910  
1 1 1 -26 14  2  o 42.714  4.6495  1016.48    211.631  831.920    278.822  1267.33    325.052  37.897  7.0525  47.168  6.5384  -9.271900      9.617058  
1 1 1 -26 14  3  o 34.450  5.7303  675.836    206.304  733.238    268.432  593.003    322.459  35.473  7.2318  31.614  8.9905  3.859438       11.53812  
1 1 1 -26 14  4  o 70.501  3.5206  2718.75    268.835  2463.51    360.639  3037.95    403.308  66.587  5.0378  73.971  5.0644  -7.384262      7.143347  
1 1 1 -26 14  5  f 56.772  3.9224  1775.55    239.707  1407.15    313.043  2297.75    372.700  49.949  5.9003  64.158  5.4139  -14.20915      8.007748  
1 1 1 -26 14  6  o 65.100  3.7195  2329.06    261.173  2415.59    345.278  2213.34    399.291  65.966  4.8670  62.750  5.9459  3.215511       7.683842  
1 1 1 -26 14  7  o 13.634  2.3401  103.970    33.312   141.349    212.467  103.028    33.729   18.928  7.3087  13.563  2.3830  5.365001       7.687362  
1 1 1 -26 14  8  o 26.066  6.5933  396.647    186.274  411.737    209.054  338.504    410.355  26.515  7.1263  26.836  10.208  -0.3214130     12.44922  
1 1 1 -26 14  9  o 82.740  3.2643  3744.65    292.537  3861.99    336.090  3377.86    594.199  83.908  3.6981  76.821  7.2263  7.087570       8.117629  
1 1 1 -26 14  10 o 59.712  2.3815  1941.68    154.024  1623.97    279.779  2079.84    184.499  53.942  4.8402  61.742  2.7590  -7.799702      5.571306  
1 1 1 -26 14  11 o 51.488  4.1409  1469.97    228.973  1357.06    258.135  1886.70    495.920  49.225  4.9070  56.553  8.3472  -7.328094      9.682676  
1 1 1 -26 14  12 o 94.840  3.3527  4931.59    344.399  4916.02    397.978  4978.01    687.246  94.490  3.8887  93.273  6.8507  1.216743       7.877425  
1 1 1 -26 14  13 o 62.739  3.9953  2179.65    270.078  2046.84    318.637  2518.50    508.972  60.451  4.9090  65.878  7.2534  -5.426716      8.758386  
1 1 1 -26 14  14 o 49.866  4.5507  1391.25    243.076  1417.02    284.615  1321.78    467.287  50.035  5.3341  46.178  9.6536  3.857475       11.02923  
1 1 1 -26 14  15 o 24.479  7.2698  355.087    206.763  466.083    238.847  23.177     413.025  27.780  7.6808  21.614  9.4132  6.166462       12.14922  
1 1 1 -26 14  16 o 63.446  3.9813  2241.05    272.207  2074.95    316.237  2716.07    534.790  60.639  4.8557  67.723  7.4118  -7.084454      8.860699  
1 1 1 -26 14  17 o 12.727  6.0783  -275.4103  234.862  -560.9202  280.818  389.141    428.428  12.045  5.9456  26.630  10.352  -14.58513      11.93754  
1 1 1 -26 14  18 o 19.336  7.5146  175.176    225.740  -92.2960   320.440  438.691    318.061  17.324  7.8639  26.344  9.1330  -9.020275      12.05207  
1 1 1 -26 14  19 o 44.797  2.4968  1107.02    120.661  1392.78    336.291  1064.79    129.268  47.807  6.6768  43.852  2.7353  3.955692       7.215347  
1 1 1 -26 14  20 o 24.833  7.6568  395.994    226.402  504.808    307.519  267.212    334.546  27.384  8.9804  22.553  9.0281  4.830507       12.73394  
1 1 1 -26 14  21 o 21.910  7.8463  294.179    236.176  467.440    338.809  130.413    329.396  26.208  9.3965  20.032  8.5612  6.176416       12.71174  
1 1 1 -26 14  22 o 23.807  7.9651  375.014    241.537  342.621    346.156  405.751    337.190  23.466  9.2506  24.608  9.2787  -1.142546      13.10222  
1 1 1 -26 14  23 o 19.163  8.4580  82.764     343.658  82.764     343.658  0.0000     0.0000   19.163  8.4580  ?       ?       0.000000       8.458044  
1 1 1 -26 14  24 o 25.572  9.6016  482.864    360.307  482.864    360.307  0.0000     0.0000   25.572  9.6016  ?       ?       0.000000       9.601594  
1 1 1 -26 15  1  o 49.389  4.4170  1352.35    233.790  1241.27    303.769  1513.74    366.159  46.793  6.1420  51.537  6.7195  -4.743530      9.103614  
1 1 1 -26 15  2  o 86.007  3.1847  4039.05    296.669  3974.21    400.848  4117.58    441.148  84.898  4.3741  86.288  4.7384  -1.389359      6.448649  
1 1 1 -26 15  3  o 108.292 3.1791  6403.13    372.879  6203.25    511.341  6630.12    544.922  106.175 4.4465  109.713 4.5857  -3.537170      6.387484  
1 1 1 -26 15  4  o 78.576  3.4630  3376.44    294.717  3514.18    404.615  3220.76    430.142  79.704  4.7079  76.096  5.2510  3.607620       7.052487  
1 1 1 -26 15  5  o 97.990  3.3127  5247.36    351.584  5544.63    483.187  4912.88    512.540  100.365 4.4449  94.130  5.0456  6.235161       6.724241  
1 1 1 -26 15  6  o 141.068 3.4631  10886.74   529.135  10764.73   743.317  11012.08   753.404  139.563 4.9174  141.151 4.9280  -1.588150      6.961765  
1 1 1 -26 15  7  o 94.151  3.2188  4843.85    328.237  4892.15    378.828  4698.37    657.452  94.483  3.7018  91.159  6.7058  3.324020       7.659739  
1 1 1 -26 15  8  o 80.257  3.2068  3520.83    278.757  3563.17    318.774  3383.23    574.652  80.627  3.6503  77.089  6.9574  3.538109       7.856842  
1 1 1 -26 15  9  o 16.250  6.5906  70.105     180.831  44.132     199.947  186.782    423.791  16.336  6.8080  24.536  10.037  -8.200073      12.12769  
1 1 1 -26 15  10 o 51.870  4.1328  1490.58    230.259  1431.87    260.609  1699.52    491.634  50.631  4.8101  53.466  8.7957  -2.835018      10.02504  
1 1 1 -26 15  11 o 78.143  3.5564  3350.55    301.000  3373.92    348.220  3281.50    598.638  78.135  4.1294  75.400  7.4268  2.734993       8.497567  
1 1 1 -26 15  12 o 53.315  4.3049  1580.69    246.465  1336.41    282.690  2354.81    503.236  48.598  5.4654  63.654  7.4395  -15.05609      9.231302  
1 1 1 -26 15  13 o 33.190  6.5750  645.826    227.997  790.592    266.218  247.445    441.625  36.661  6.9590  25.479  10.311  11.18233       12.43990  
1 1 1 -26 15  14 o 61.743  2.5710  2081.36    171.934  2013.75    292.112  2117.20    212.676  60.068  4.5231  62.063  3.1745  -1.994858      5.525903  
1 1 1 -26 15  15 o 65.084  2.6379  2315.91    185.951  2189.42    311.282  2386.10    231.870  62.513  4.6304  65.902  3.2485  -3.389034      5.656202  
1 1 1 -26 15  16 o 29.809  7.1819  538.464    229.135  453.964    271.229  749.097    428.225  27.245  8.3773  33.896  10.543  -6.651766      13.46642  
1 1 1 -26 15  17 o 57.261  4.5947  1855.94    282.559  1772.28    334.628  2063.77    527.438  55.337  5.6629  57.374  8.7658  -2.037304      10.43585  
1 1 1 -26 15  18 o 64.087  2.5837  2257.48    179.344  1915.60    365.199  2366.13    205.880  56.980  6.0080  65.485  2.9027  -8.505100      6.672471  
1 1 1 -26 15  19 o 45.732  5.1663  1220.49    251.416  1141.95    354.631  1299.86    356.488  42.181  8.0561  45.531  7.4893  -3.350025      10.99955  
1 1 1 -26 15  20 o 36.869  6.3121  830.489    242.998  1127.93    339.019  516.217    348.479  41.980  7.7412  27.510  9.5584  14.47056       12.30000  
1 1 1 -26 15  21 o 31.844  7.2206  651.776    243.300  576.713    346.993  724.370    341.237  28.527  9.5468  32.021  9.2928  -3.493526      13.32286  
1 1 1 -26 15  22 o 19.598  8.0223  178.657    271.000  196.746    337.583  145.872    454.474  20.909  8.7891  21.823  9.6745  -0.9137707     13.07069  
1 1 1 -26 15  23 o 17.212  7.9058  -68.1697   336.602  -68.1697   336.602  0.0000     0.0000   17.212  7.9058  ?       ?       0.000000       7.905798  
1 1 1 -26 15  24 o 22.836  9.2462  331.134    355.294  331.134    355.294  0.0000     0.0000   22.836  9.2462  ?       ?       0.000000       9.246249  
1 1 1 -26 16  1  o 41.585  5.1603  970.850    227.434  1185.56    290.245  629.284    366.076  45.753  6.0017  32.489  9.6788  13.26447       11.38856  
1 1 1 -26 16  2  o 30.560  6.5645  542.247    210.803  540.849    267.362  544.543    342.719  30.266  8.0253  30.466  9.4250  -0.1995564     12.37888  
1 1 1 -26 16  3  o 68.900  3.7642  2608.31    279.841  2443.99    371.810  2823.04    425.016  66.246  5.2243  71.099  5.5635  -4.853065      7.631883  
1 1 1 -26 16  4  o 95.754  3.2729  5009.51    339.444  4868.95    465.688  5168.83    495.818  94.008  4.5736  96.803  4.7289  -2.794838      6.578806  
1 1 1 -26 16  5  o 92.088  3.3225  4635.02    331.392  4296.71    451.635  5029.64    487.765  88.121  4.7494  95.483  4.7164  -7.362007      6.693420  
1 1 1 -26 16  6  o 17.149  6.7532  101.369    184.293  -43.9617   224.729  399.810    322.039  15.636  6.8728  26.926  9.1962  -11.29035      11.48067  
1 1 1 -26 16  7  o 82.153  3.3655  3691.50    299.458  3662.04    347.366  3776.76    590.921  81.678  3.9265  81.643  6.7428  0.3487396E-01  7.802778  
1 1 1 -26 16  8  o 26.349  6.3385  404.728    178.688  344.080    198.335  666.146    411.773  24.364  7.0886  33.255  10.338  -8.891325      12.53495  
1 1 1 -26 16  9  o 69.252  3.3966  2625.91    254.766  2564.25    286.837  2856.31    554.481  68.210  3.8987  70.489  7.3717  -2.279510      8.339177  
1 1 1 -26 16  10 f 28.370  6.5271  471.233    196.392  517.936    218.818  277.781    445.343  29.665  6.9347  26.247  10.446  3.417477       12.53855  
1 1 1 -26 16  11 o 20.429  7.5473  198.730    220.859  34.159     256.846  665.685    432.646  17.939  7.6101  33.056  10.638  -15.11708      13.08009  
1 1 1 -26 16  12 o 32.685  6.1536  620.551    209.850  755.561    236.196  114.635    457.224  36.108  6.2668  23.967  10.160  12.14081       11.93695  
1 1 1 -26 16  13 o 27.700  6.9543  455.501    208.331  473.246    236.779  394.682    438.365  28.126  7.5947  27.784  10.555  0.3416138      13.00310  
1 1 1 -26 16  14 o 14.792  6.5434  -46.5379   206.806  -58.7385   241.061  -12.5253   402.490  15.828  7.0300  21.033  9.2226  -5.204618      11.59645  
1 1 1 -26 16  15 o 27.367  7.3621  451.340    222.995  568.576    261.763  141.134    425.796  30.546  7.8649  23.388  9.8530  7.157913       12.60707  
1 1 1 -26 16  16 o 29.835  6.6308  533.130    208.712  741.245    239.223  -130.1820  427.081  35.377  6.4821  19.978  9.0727  15.39898       11.15036  
1 1 1 -26 16  17 o 22.551  7.8083  294.236    232.452  288.663    269.128  310.606    461.244  22.822  8.3473  25.681  10.484  -2.858856      13.40110  
1 1 1 -26 16  18 o 51.458  4.8499  1521.90    267.117  1490.77    311.836  1607.70    517.674  50.295  5.8327  48.564  10.168  1.731068       11.72204  
1 1 1 -26 16  19 o 20.329  7.5206  228.258    219.448  149.157    296.859  323.566    325.857  20.032  8.3175  23.657  9.0729  -3.624813      12.30847  
1 1 1 -26 16  20 o 26.567  8.0095  462.637    249.596  229.470    369.572  658.178    338.442  22.351  9.2803  30.774  9.3378  -8.423302      13.16500  
1 1 1 -26 16  21 o 14.455  2.8367  119.628    42.827   555.664    337.457  112.490    43.176   28.089  9.4147  13.985  2.9436  14.10461       9.864120  
1 1 1 -26 16  22 o 17.998  7.8378  66.864     286.294  331.199    368.520  -335.5307  454.685  23.384  9.4348  17.522  8.3924  5.861591       12.62722  
1 1 1 -26 16  23 o 14.791  7.1060  -312.8481  331.615  -312.8481  331.615  0.0000     0.0000   14.791  7.1060  ?       ?       0.000000       7.105989  
1 1 1 -26 16  24 o 18.650  8.3074  59.604     339.094  59.604     339.094  0.0000     0.0000   18.650  8.3074  ?       ?       0.000000       8.307367  
1 1 1 -26 17  1  o 107.673 3.2623  6334.85    380.450  6168.24    512.590  6539.21    567.696  105.835 4.4717  108.827 4.8163  -2.991791      6.572071  
1 1 1 -26 17  2  o 129.109 3.2840  9108.50    459.227  8469.96    620.855  9879.87    682.388  123.959 4.6243  133.836 4.7075  -9.877502      6.598791  
1 1 1 -26 17  3  o 97.442  3.2072  5186.14    338.486  4995.88    445.148  5446.93    521.176  95.312  4.3121  99.323  4.8447  -4.010963      6.485765  
1 1 1 -26 17  4  o 26.162  7.3235  398.866    215.727  322.188    268.180  539.456    363.131  24.461  8.3916  30.429  9.7414  -5.968208      12.85746  
1 1 1 -26 17  5  o 117.123 3.2742  7496.58    415.357  7570.94    567.488  7410.77    609.575  117.246 4.4688  115.823 4.8592  1.422966       6.601601  
1 1 1 -26 17  6  o 80.886  3.2418  3575.38    284.010  3630.31    323.932  3392.84    590.546  81.401  3.6741  77.179  7.1456  4.221718       8.034863  
1 1 1 -26 17  7  o 21.015  6.8878  242.161    180.915  242.238    202.283  241.850    404.424  21.339  7.2885  25.095  9.9652  -3.756481      12.34615  
1 1 1 -26 17  8  o 76.280  3.3102  3183.29    273.489  3220.65    310.066  3052.35    580.430  76.620  3.7363  72.889  7.4572  3.731178       8.340858  
1 1 1 -26 17  9  o 40.443  4.7468  916.547    203.976  996.296    226.555  575.225    468.699  42.092  5.0716  31.648  11.080  10.44329       12.18572  
1 1 1 -26 17  10 o 26.521  6.5240  412.255    186.112  408.921    205.150  427.763    442.381  26.362  7.0487  28.674  10.664  -2.312178      12.78300  
1 1 1 -26 17  11 o 22.283  7.1734  279.996    196.701  411.265    219.632  -252.0217  442.158  26.387  7.3905  19.595  9.0230  6.791998       11.66331  
1 1 1 -26 17  12 f 59.400  3.9699  1953.19    253.936  1985.10    289.787  1847.60    527.065  59.698  4.5152  55.330  9.1122  4.367500       10.16949  
1 1 1 -26 17  13 o 59.310  3.9422  1948.16    251.803  1884.03    286.519  2165.74    527.749  58.093  4.5911  60.407  8.2845  -2.313652      9.471557  
1 1 1 -26 17  14 o 72.621  3.7551  2914.37    294.350  3059.60    346.623  2538.81    557.397  74.170  4.3336  65.484  8.0269  8.686012       9.122079  
1 1 1 -26 17  15 o 87.127  3.4916  4182.12    329.497  4031.05    386.355  4585.08    631.002  85.223  4.1856  89.114  6.5842  -3.891319      7.801980  
1 1 1 -26 17  16 o 69.616  3.7612  2692.12    282.550  2740.70    330.459  2560.04    544.841  69.931  4.3851  65.225  7.8715  4.706604       9.010536  
1 1 1 -26 17  17 o 60.281  4.1411  2042.10    268.736  2009.59    308.286  2144.97    548.416  59.411  4.8328  58.154  8.9974  1.257576       10.21319  
1 1 1 -26 17  18 o 48.554  5.2802  1371.96    273.206  1503.51    323.568  1045.25    509.916  50.320  6.0586  37.593  11.474  12.72695       12.97533  
1 1 1 -26 17  19 o 67.683  3.0054  2537.28    220.321  3635.12    432.087  2151.56    256.117  79.286  5.0580  61.785  3.8463  17.50043       6.354323  
1 1 1 -26 17  20 o 63.276  4.1565  2278.81    283.278  2490.77    398.798  2062.95    402.458  64.778  5.7436  58.225  6.4923  6.552361       8.668247  
1 1 1 -26 17  21 o 33.090  7.0564  698.810    245.180  654.777    346.021  743.210    347.457  30.255  9.4886  32.317  9.3766  -2.062277      13.33995  
1 1 1 -26 17  22 o 22.415  8.4007  315.973    275.571  357.741    342.726  239.582    463.495  23.656  9.2409  22.957  9.9852  0.6981659      13.60509  
1 1 1 -26 17  23 o 14.792  7.1081  -312.8764  332.119  -312.8764  332.119  0.0000     0.0000   14.792  7.1081  ?       ?       0.000000       7.108083  
1 1 1 -26 17  24 f 46.740  8.2821  1501.15    403.929  1501.15    403.929  0.0000     0.0000   46.740  8.2821  ?       ?       0.000000       8.282069  
1 1 1 -26 18  1  o 76.480  3.4891  3200.57    289.023  3066.83    382.583  3378.36    441.117  74.388  4.7737  77.903  5.2587  -3.514717      7.102254  
1 1 1 -26 18  2  f 69.960  3.6509  2687.53    275.688  2625.28    352.983  2784.90    441.452  68.812  4.7654  70.482  5.8353  -1.669594      7.533901  
1 1 1 -26 18  3  o 178.358 3.7131  17428.38   717.289  17064.26   992.754  17826.09   1037.53  175.499 5.2227  179.279 5.3432  -3.780533      7.471694  
1 1 1 -26 18  4  o 96.389  3.3300  5078.83    347.647  4885.54    457.360  5343.33    535.019  94.180  4.4836  98.152  5.0498  -3.972191      6.753009  
1 1 1 -26 18  5  o 101.652 2.9825  5638.72    328.376  5618.02    402.418  5679.98    568.086  101.268 3.6689  101.118 5.2047  0.1508560      6.367825  
1 1 1 -26 18  6  o 142.531 3.3483  11110.09   516.889  11213.29   594.388  10789.90   1046.91  142.973 3.8384  138.034 7.0257  4.938705       8.005870  
1 1 1 -26 18  7  o 48.639  4.1244  1309.87    215.234  1310.94    240.489  1305.56    482.479  48.522  4.6323  46.342  9.9123  2.179470       10.94127  
1 1 1 -26 18  8  o 37.911  4.7590  806.518    191.107  728.661    209.900  1183.84    462.081  35.765  5.6024  44.010  9.9300  -8.244087      11.40140  
1 1 1 -26 18  9  o 51.235  4.1612  1454.61    228.923  1307.32    257.788  2004.07    497.893  48.308  4.9992  58.563  8.0634  -10.25470      9.487376  
1 1 1 -26 18  10 o 45.362  4.6073  1149.32    223.224  1128.35    252.170  1225.25    479.856  44.722  5.3097  44.528  10.172  0.1946831      11.47485  
1 1 1 -26 18  11 o 52.229  4.1314  1513.42    231.803  1587.31    261.154  1239.03    503.269  53.358  4.5627  44.429  10.605  8.929066       11.54518  
1 1 1 -26 18  12 o 63.010  3.8579  2194.43    262.019  2098.91    299.192  2508.77    542.760  61.383  4.5322  65.455  7.8101  -4.071697      9.029903  
1 1 1 -26 18  13 o 111.948 3.2583  6872.82    395.080  6465.34    473.272  7809.57    717.576  108.218 4.0378  117.889 5.6199  -9.671204      6.920001  
1 1 1 -26 18  14 o 69.301  3.8007  2656.67    284.188  2611.99    332.637  2777.43    546.836  68.420  4.5140  68.884  7.4480  -0.4636688     8.709112  
1 1 1 -26 18  15 o 38.090  1.3538  787.782    55.852   274.668    252.549  814.169    57.270   22.618  8.1123  38.722  1.3655  -16.10398      8.226380  
1 1 1 -26 18  16 o 18.261  7.0787  142.667    199.915  220.885    228.300  -114.5231  413.980  20.772  7.6736  19.772  8.9607  1.000019       11.79735  
1 1 1 -26 18  17 o 39.296  6.0457  912.782    249.066  1021.64    292.518  625.829    474.932  41.186  6.7943  30.696  11.110  10.49061       13.02262  
1 1 1 -26 18  18 o 55.689  2.5880  1706.03    156.100  1711.74    335.041  1704.45    176.419  53.861  5.8366  55.462  2.9474  -1.601742      6.538611  
1 1 1 -26 18  19 o 37.527  6.5643  862.504    257.093  642.364    377.553  1052.83    351.060  30.321  9.9509  40.214  8.3338  -9.892660      12.97970  
1 1 1 -26 18  20 o 15.321  6.8829  -46.5745   238.129  -61.5065   321.096  -28.3250   354.978  17.393  7.8863  18.571  8.3676  -1.177633      11.49833  
1 1 1 -26 18  21 o 14.517  6.6199  -79.8650   230.392  -29.1071   324.430  -131.5040  327.234  17.711  7.9881  16.616  7.6902  1.095396       11.08827  
1 1 1 -26 18  22 o 27.460  9.5795  549.858    350.190  549.858    350.190  0.0000     0.0000   27.460  9.5795  ?       ?       0.000000       9.579548  
1 1 1 -26 18  23 o 21.628  9.1724  237.382    372.974  237.382    372.974  0.0000     0.0000   21.628  9.1724  ?       ?       0.000000       9.172444  
1 1 1 -26 18  24 o 22.368  9.0260  310.999    337.316  310.999    337.316  0.0000     0.0000   22.368  9.0260  ?       ?       0.000000       9.026013  
1 1 1 -26 19  1  f 170.315 3.6084  15885.75   665.629  15018.15   921.653  16831.67   962.350  164.638 5.1685  174.350 5.0961  -9.711945      7.258401  
1 1 1 -26 19  2  o 115.602 3.2564  7302.99    407.734  6849.98    557.528  7823.86    597.823  111.453 4.6186  119.105 4.6342  -7.652336      6.542675  
1 1 1 -26 19  3  o 99.641  3.4207  5430.47    369.166  5434.29    488.566  5425.39    563.593  99.301  4.5426  98.786  5.2866  0.5145569      6.970158  
1 1 1 -26 19  4  f 122.096 2.9694  8134.29    392.675  8301.84    482.111  7804.08    676.823  123.124 3.6152  118.638 5.2672  4.485512       6.388522  
1 1 1 -26 19  5  o 16.898  6.9577  60.808     205.341  38.597     234.477  133.892    425.327  17.413  7.3225  23.892  9.9409  -6.478855      12.34663  
1 1 1 -26 19  6  o 30.149  6.4797  528.686    205.293  478.011    234.406  695.522    425.321  28.486  7.4958  33.951  10.499  -5.464478      12.90026  
1 1 1 -26 19  7  o 17.595  7.1006  89.042     208.774  88.628     238.886  90.384     429.557  18.490  7.5462  23.317  9.8637  -4.826622      12.41925  
1 1 1 -26 19  8  f 15.408  6.4195  37.822     177.713  -53.1266   194.911  486.056    432.704  14.314  6.3410  29.714  10.623  -15.40072      12.37130  
1 1 1 -26 19  9  o 18.932  6.7143  180.204    172.548  227.537    187.689  -78.1660   438.504  20.628  7.0207  21.371  9.4871  -0.7430992     11.80238  
1 1 1 -26 19  10 o 83.380  3.2664  3806.57    294.990  3740.33    335.153  4034.36    621.462  82.508  3.7504  84.033  6.8886  -1.524673      7.843335  
1 1 1 -26 19  11 o 109.590 3.2277  6578.41    383.119  6442.06    438.863  7015.20    785.474  108.238 3.7435  111.057 6.5591  -2.819267      7.552240  
1 1 1 -26 19  12 o 109.975 3.3140  6632.52    394.750  6420.64    455.290  7274.13    792.262  107.948 3.8941  113.023 6.4993  -5.074913      7.576578  
1 1 1 -26 19  13 o 94.160  3.3885  4867.61    345.576  5037.92    398.715  4353.38    692.831  95.604  3.8505  86.558  7.4630  9.046600       8.397812  
1 1 1 -26 19  14 f 52.886  4.2074  1558.83    239.011  1605.82    274.535  1411.67    485.802  53.461  4.7921  47.537  9.7622  5.924339       10.87498  
1 1 1 -26 19  15 o 13.819  6.1798  -61.3879   189.647  -64.0931   213.867  -51.4322   410.275  14.700  6.5691  20.553  9.1478  -5.853127      11.26210  
1 1 1 -26 19  16 o 55.676  4.2155  1738.66    252.322  1801.91    292.422  1554.31    499.229  56.383  4.8352  49.203  9.7125  7.179363       10.84951  
1 1 1 -26 19  17 o 52.355  4.4890  1555.30    252.093  1538.07    294.432  1602.60    487.945  51.580  5.3480  49.622  9.4233  1.957443       10.83516  
1 1 1 -26 19  18 o 16.329  7.2511  -25.3302   256.344  60.670     311.346  -206.3207  451.670  19.016  8.2273  19.140  8.9185  -0.1237965     12.13369  
1 1 1 -26 19  19 o 38.476  6.0732  892.092    244.697  1216.32    344.673  562.615    347.452  43.960  7.5087  28.696  9.5522  15.26363       12.15009  
1 1 1 -26 19  20 o 14.526  6.6621  -102.7148  237.780  -243.5730  349.744  18.354     324.246  16.208  7.6456  18.451  8.1761  -2.243320      11.19391  
1 1 1 -26 19  21 o 24.435  8.9829  391.479    312.245  229.733    407.055  622.717    486.706  22.490  9.5620  28.745  11.072  -6.255745      14.62970  
1 1 1 -26 19  22 o 32.656  10.484  834.758    420.364  834.758    420.364  0.0000     0.0000   32.656  10.484  ?       ?       0.000000       10.48383  
1 1 1 -26 19  23 o 17.812  7.9939  16.488     320.346  16.488     320.346  0.0000     0.0000   17.812  7.9939  ?       ?       0.000000       7.993885  
1 1 1 -26 19  24 o 17.961  8.0739  20.509     328.238  20.509     328.238  0.0000     0.0000   17.961  8.0739  ?       ?       0.000000       8.073918  
1 1 1 -26 20  1  o 66.834  3.7402  2455.95    269.655  2071.37    347.315  3039.59    427.861  60.881  5.3205  73.804  5.3897  -12.92287      7.573463  
1 1 1 -26 20  2  o 94.317  3.2811  4862.44    335.182  4399.90    437.082  5522.78    522.245  89.234  4.5373  99.982  4.8226  -10.74790      6.621488  
1 1 1 -26 20  3  o 17.130  7.1674  43.579     222.865  129.510    281.793  -99.9406   364.175  20.493  8.2566  19.288  8.5991  1.204533       11.92126  
1 1 1 -26 20  4  o 25.829  6.7553  389.258    191.138  375.025    212.026  451.008    441.622  25.404  7.3114  29.297  10.696  -3.893715      12.95636  
1 1 1 -26 20  5  o 56.671  3.9576  1771.59    241.395  1850.61    274.515  1502.11    506.946  57.799  4.4185  49.932  9.7234  7.866882       10.68030  
1 1 1 -26 20  6  f 35.620  5.7187  723.527    213.163  683.349    240.327  871.730    461.570  34.295  6.7103  37.592  10.778  -3.297237      12.69661  
1 1 1 -26 20  7  o 97.417  3.3441  5193.11    352.849  5066.08    407.640  5572.67    704.634  96.033  3.9191  99.252  6.5922  -3.218880      7.669235  
1 1 1 -26 20  8  o 114.300 3.2220  7145.69    398.875  6703.82    457.531  8545.23    814.262  110.487 3.8233  123.433 6.0907  -12.94604      7.191231  
1 1 1 -26 20  9  o 27.199  6.4791  433.142    188.146  421.753    206.687  488.214    454.503  26.768  7.0363  29.895  10.861  -3.127312      12.94087  
1 1 1 -26 20  10 o 32.175  5.9803  598.338    200.740  614.196    223.041  530.723    460.555  32.423  6.5763  30.620  10.958  1.802689       12.77972  
1 1 1 -26 20  11 o 45.081  4.6478  1137.96    223.683  1093.54    251.154  1308.33    491.884  43.937  5.3908  45.863  10.169  -1.926559      11.50934  
1 1 1 -26 20  12 o 81.232  3.4989  3624.25    307.845  3455.21    353.552  4154.14    625.984  78.990  4.1470  85.068  6.8521  -6.077896      8.009288  
1 1 1 -26 20  13 o 35.269  5.6991  715.625    210.283  560.245    234.645  1349.49    473.927  30.653  7.1916  46.672  9.6922  -16.01971      12.06882  
1 1 1 -26 20  14 o 45.535  4.8565  1169.93    235.823  1194.01    270.080  1092.66    483.809  45.725  5.5684  41.101  10.747  4.623501       12.10365  
1 1 1 -26 20  15 o 87.501  3.3639  4216.51    318.806  4182.58    367.741  4319.14    639.624  86.896  3.9073  86.057  6.9208  0.8385925      7.947574  
1 1 1 -26 20  16 o 36.195  6.1827  773.993    233.678  822.545    273.666  643.312    448.975  36.876  7.1096  31.391  10.853  5.484835       12.97414  
1 1 1 -26 20  17 o 54.208  4.8312  1680.29    280.679  1818.94    340.213  1384.80    496.672  55.850  5.7043  45.100  10.383  10.74991       11.84644  
1 1 1 -26 20  18 o 57.446  4.6295  1889.49    285.602  1877.40    335.687  1921.20    543.491  56.608  5.5463  53.395  9.7572  3.212643       11.22338  
1 1 1 -26 20  19 o ?       ?       -157.3676  31.074   20.595     287.662  -159.4688  31.257   17.753  7.7904  ?       ?       0.000000       7.790399  
1 1 1 -26 20  20 o 15.259  6.7991  -26.9650   227.351  -43.9432   318.347  -9.2919    324.797  17.503  7.9018  18.086  8.0878  -0.5832405     11.30714  
1 1 1 -26 20  21 o 16.529  7.3778  -12.8926   268.941  -108.1494  326.375  188.615    474.695  16.802  7.7424  22.743  9.9930  -5.940847      12.64135  
1 1 1 -26 20  22 o 24.528  9.1985  409.217    330.491  409.217    330.491  0.0000     0.0000   24.528  9.1985  ?       ?       0.000000       9.198490  
1 1 1 -26 20  23 o 24.986  9.2936  445.483    336.007  445.483    336.007  0.0000     0.0000   24.986  9.2936  ?       ?       0.000000       9.293575  
1 1 1 -26 20  24 o 19.107  8.5128  71.038     356.289  71.038     356.289  0.0000     0.0000   19.107  8.5128  ?       ?       0.000000       8.512819  
1 1 1 -26 21  1  o 18.353  7.1459  127.033    204.422  236.876    251.023  -89.2377   352.229  22.069  8.0632  19.062  8.4805  3.006847       11.70184  
1 1 1 -26 21  2  o 58.144  3.9160  1863.62    245.180  1667.87    303.469  2231.57    416.060  54.621  5.1920  62.866  6.1908  -8.244240      8.079784  
1 1 1 -26 21  3  o 89.172  2.9555  4339.40    285.454  4270.28    348.116  4481.25    498.723  88.285  3.6406  89.785  5.1500  -1.500397      6.306795  
1 1 1 -26 21  4  o 150.427 3.4129  12381.18   556.053  12628.63   638.039  11599.63   1133.90  151.694 3.8834  142.798 7.3563  8.895584       8.318386  
1 1 1 -26 21  5  o 34.263  5.9106  672.584    211.417  755.840    239.221  375.586    451.824  36.238  6.3249  28.070  10.703  8.168728       12.43214  
1 1 1 -26 21  6  o 119.568 3.2800  7819.28    424.774  7816.01    487.816  7829.53    863.895  119.354 3.7735  117.574 6.8131  1.779427       7.788310  
1 1 1 -26 21  7  f 57.928  3.7835  1849.36    236.079  2016.77    264.419  1191.56    524.146  60.425  4.0639  43.646  11.071  16.77915       11.79312  
1 1 1 -26 21  8  o 15.080  6.5867  -27.8033   203.522  -43.7141   230.452  28.589     433.854  15.800  6.9522  22.548  9.7337  -6.747693      11.96146  
1 1 1 -26 21  9  o 74.587  3.5501  3051.11    286.795  3153.81    329.079  2726.75    584.841  75.592  4.0339  68.380  8.0508  7.211655       9.004848  
1 1 1 -26 21  10 o 75.091  3.5124  3093.79    285.668  3091.86    326.186  3100.16    591.801  74.807  4.0408  73.133  7.5813  1.673973       8.590936  
1 1 1 -26 21  11 f 64.769  3.7273  2314.49    260.370  2318.04    295.325  2302.09    551.721  64.645  4.2414  62.366  8.3797  2.278118       9.391959  
1 1 1 -26 21  12 o 28.599  1.7976  446.329    55.397   487.571    237.165  443.949    56.973   28.553  7.5525  28.515  1.8548  0.3853989E-01  7.776883  
1 1 1 -26 21  13 o 13.810  6.2175  -80.4019   195.535  -117.3945  218.294  69.767     439.819  14.149  6.4489  22.913  9.8451  -8.763416      11.76925  
1 1 1 -26 21  14 o 52.277  4.1960  1524.47    235.583  1588.57    266.809  1297.70    501.840  53.186  4.6792  44.967  10.495  8.219414       11.49104  
1 1 1 -26 21  15 o 34.234  6.0149  686.128    214.884  454.149    243.898  1490.85    454.262  27.288  7.8383  49.077  8.8724  -21.78953      11.83883  
1 1 1 -26 21  16 o 12.996  5.9786  -119.0487  193.527  -96.6059   219.159  -198.5114  412.384  14.293  6.4941  18.774  8.6694  -4.481221      10.83197  
1 1 1 -26 21  17 o 19.765  7.2708  207.457    204.605  260.939    233.117  28.060     426.949  21.544  7.7857  21.187  9.3856  0.3571815      12.19449  
1 1 1 -26 21  18 o ?       ?       -128.3321  31.324   178.009    283.836  -132.1090  31.516   20.358  8.2568  ?       ?       0.000000       8.256790  
1 1 1 -26 21  19 o 40.796  6.2310  1006.82    266.589  983.551    313.966  1066.94    504.680  39.316  7.6483  37.498  11.408  1.818310       13.73480  
1 1 1 -26 21  20 o 15.714  6.9836  -18.4370   238.232  -22.0254   350.642  -15.3604   324.677  18.501  8.3280  18.002  8.0657  0.4983864      11.59361  
1 1 1 -26 21  21 o 46.996  6.0078  1344.24    298.806  1540.06    362.180  926.854    528.762  49.464  6.9522  33.369  11.762  16.09509       13.66341  
1 1 1 -26 21  22 o 21.611  9.0401  235.347    354.424  235.347    354.424  0.0000     0.0000   21.611  9.0401  ?       ?       0.000000       9.040080  
1 1 1 -26 21  23 o 34.088  9.8450  889.108    383.829  889.108    383.829  0.0000     0.0000   34.088  9.8450  ?       ?       0.000000       9.845018  
1 1 1 -26 22  1  f 22.549  7.5735  276.864    218.378  357.290    270.180  125.317    370.875  25.305  8.4233  22.528  9.3205  2.776480       12.56280  
1 1 1 -26 22  2  o 45.976  4.7840  1180.04    234.738  927.903    293.262  1629.66    391.613  40.001  7.0252  53.323  6.9455  -13.32240      9.878892  
1 1 1 -26 22  3  o 24.381  6.7935  345.424    186.083  328.601    201.762  441.219    481.454  23.912  7.1995  29.555  11.099  -5.643150      13.22925  
1 1 1 -26 22  4  o 56.440  3.8458  1755.96    233.697  1728.96    262.853  1857.83    510.532  55.858  4.3798  56.172  8.6705  -0.3142357     9.713911  
1 1 1 -26 22  5  o 54.181  4.2074  1624.80    244.967  1616.78    280.214  1650.79    504.521  53.855  4.8561  52.612  9.1881  1.243443       10.39245  
1 1 1 -26 22  6  o 127.763 3.2948  8929.71    455.939  8732.63    523.378  9550.00    928.546  126.122 3.8314  130.012 6.6159  -3.889923      7.645199  
1 1 1 -26 22  7  o 120.126 3.2829  7895.27    427.137  7830.03    489.491  8103.53    874.543  119.429 3.7841  119.558 6.7815  -0.1295166     7.765804  
1 1 1 -26 22  8  o 73.403  3.6504  2956.18    290.218  3075.45    334.426  2592.38    584.060  74.617  4.1545  66.572  8.2790  8.044983       9.262923  
1 1 1 -26 22  9  o 85.157  2.9995  3963.46    276.658  4102.05    373.502  3794.99    411.804  86.327  3.9946  82.690  4.6164  3.637062       6.104756  
1 1 1 -26 22  10 o 80.727  3.4961  3575.84    305.686  3599.37    351.589  3502.94    618.754  80.823  4.0163  77.846  7.4287  2.977348       8.444919  
1 1 1 -26 22  11 f 21.255  7.4415  238.574    211.404  161.642    239.107  514.064    452.470  19.924  7.7364  30.111  10.852  -10.18740      13.32749  
1 1 1 -26 22  12 f 43.331  5.5652  1068.82    255.146  1401.05    299.947  199.144    485.296  49.648  5.6802  25.545  10.623  24.10217       12.04617  
1 1 1 -26 22  13 o 54.442  4.0063  1645.68    234.574  1633.51    263.221  1692.61    517.051  54.052  4.5381  52.488  9.4421  1.563908       10.47609  
1 1 1 -26 22  14 o 52.604  4.2615  1545.71    240.719  1538.11    271.919  1573.22    517.574  52.238  4.8618  49.986  9.9100  2.251534       11.03840  
1 1 1 -26 22  15 o 74.320  3.7548  3064.81    301.267  2821.46    352.662  3722.00    579.541  70.864  4.6200  79.853  6.7643  -8.988808      8.191499  
1 1 1 -26 22  16 o 31.440  6.7815  599.332    224.145  609.848    259.041  567.997    447.152  31.309  7.6937  29.816  10.782  1.492847       13.24532  
1 1 1 -26 22  17 o 58.730  4.0178  1942.40    254.038  1852.31    291.828  2224.24    516.171  56.898  4.7797  59.487  8.2319  -2.589390      9.518901  
1 1 1 -26 22  18 o 31.561  7.9295  643.437    270.719  603.135    331.288  724.441    469.675  29.856  9.2715  31.624  11.091  -1.768171      14.45553  
1 1 1 -26 22  19 f 27.241  8.1421  486.326    258.748  494.633    306.772  465.849    481.660  27.212  8.9716  27.072  10.834  0.1403561      14.06664  
1 1 1 -26 22  20 o 19.833  7.6174  209.091    229.896  -117.4797  314.376  584.473    337.052  16.532  7.6108  28.901  9.3980  -12.36927      12.09324  
1 1 1 -26 22  21 o 51.499  7.2559  1688.89    393.508  1688.89    393.508  0.0000     0.0000   51.499  7.2559  ?       ?       0.000000       7.255928  
1 1 1 -26 22  22 o 69.259  5.6137  2889.58    417.491  2889.58    417.491  0.0000     0.0000   69.259  5.6137  ?       ?       0.000000       5.613721  
1 1 1 -26 22  23 o 52.618  6.9040  1771.10    383.970  1771.10    383.970  0.0000     0.0000   52.618  6.9040  ?       ?       0.000000       6.903975  
1 1 1 -26 23  1  o 86.255  4.0935  4091.58    382.426  3863.78    593.763  4253.07    499.925  82.532  6.7002  87.339  5.3100  -4.807137      8.549168  
1 1 1 -26 23  2  o 76.017  3.0251  3155.66    249.072  3186.09    295.358  3080.75    463.422  76.257  3.5760  74.074  5.8231  2.182785       6.833489  
1 1 1 -26 23  3  o 65.597  3.5941  2364.63    254.387  2481.18    283.322  1879.88    577.813  67.109  3.9149  55.831  9.9187  11.27832       10.66330  
1 1 1 -26 23  4  o 87.781  3.2071  4212.41    304.919  3987.37    346.516  4984.55    641.861  85.256  3.7526  94.024  6.3398  -8.768272      7.367106  
1 1 1 -26 23  5  o 38.070  5.3827  820.537    215.762  835.651    243.328  764.940    466.693  38.206  6.0843  35.363  11.008  2.842426       12.57757  
1 1 1 -26 23  6  o 96.528  2.9647  5087.98    309.961  4879.71    386.937  5460.99    517.828  94.286  3.7890  99.336  4.8129  -5.050201      6.125396  
1 1 1 -26 23  7  o 106.864 3.1639  6244.46    366.201  6509.84    445.689  5693.01    642.472  108.888 3.7790  100.680 5.9177  8.208641       7.021441  
1 1 1 -26 23  8  o 57.203  4.1842  1812.07    257.441  1857.11    295.138  1668.78    526.437  57.727  4.7629  52.523  9.6080  5.203972       10.72376  
1 1 1 -26 23  9  o 29.344  7.3020  510.554    231.141  696.526    267.809  -32.5277   457.650  34.299  7.4243  22.273  9.7986  12.02615       12.29359  
1 1 1 -26 23  10 o 28.583  7.3001  485.484    226.802  522.954    260.095  366.582    463.323  29.546  7.9522  27.773  10.773  1.772783       13.39048  
1 1 1 -26 23  11 o 43.043  5.1030  1046.08    233.267  1141.80    265.588  723.051    487.906  44.817  5.5931  34.156  11.317  10.66098       12.62368  
1 1 1 -26 23  12 o 52.623  4.6615  1549.16    262.934  1608.08    305.789  1382.02    515.010  53.351  5.3645  46.878  10.414  6.473446       11.71446  
1 1 1 -26 23  13 o 28.329  1.7849  438.108    54.487   464.378    300.203  437.213    55.407   27.848  8.8511  28.296  1.8175  -0.4481087     9.035812  
1 1 1 -26 23  14 f 52.639  2.4258  1513.08    138.303  1412.81    324.971  1535.26    152.835  49.422  6.2079  52.910  2.6756  -3.488201      6.759933  
1 1 1 -26 23  15 o 47.747  4.5102  1285.39    230.482  1296.13    261.531  1248.05    487.692  47.669  5.1472  43.581  10.464  4.088116       11.66146  
1 1 1 -26 23  16 o 17.789  7.0231  127.791    199.797  200.272    226.462  -126.7715  424.405  20.092  7.5973  19.675  8.9769  0.4171391      11.76025  
1 1 1 -26 23  17 o 37.774  5.7029  843.581    226.061  646.936    259.104  1470.42    462.605  31.993  7.5915  47.149  9.3887  -15.15536      12.07388  
1 1 1 -26 23  18 f 33.501  7.0871  701.088    249.128  811.907    299.336  451.323    449.384  35.524  7.9752  26.918  10.563  8.606766       13.23538  
1 1 1 -26 23  19 f 44.922  2.6004  1115.83    125.983  1464.49    345.234  1062.27    135.314  48.905  6.6934  43.728  2.8730  5.176842       7.283920  
1 1 1 -26 23  20 o 29.560  7.3359  564.366    233.758  787.203    317.360  300.090    345.612  34.086  8.5973  23.074  9.1965  11.01216       12.58926  
1 1 1 -26 23  21 o 18.573  8.1255  65.641     310.867  65.641     310.867  0.0000     0.0000   18.573  8.1255  ?       ?       0.000000       8.125537  
1 1 1 -26 23  22 o 16.447  7.5938  -102.0769  316.273  -102.0769  316.273  0.0000     0.0000   16.447  7.5938  ?       ?       0.000000       7.593768  
1 1 1 -26 23  23 o 34.555  9.7608  905.861    381.413  905.861    381.413  0.0000     0.0000   34.555  9.7608  ?       ?       0.000000       9.760765  
1 1 1 -26 24  1  o 20.691  7.3601  216.538    207.478  361.058    242.310  -180.5407  401.649  25.122  7.9486  19.351  8.7919  5.770561       11.85233  
1 1 1 -26 24  2  o 54.719  3.9337  1652.99    231.581  1606.78    257.043  1852.20    533.675  53.802  4.4510  55.785  9.1498  -1.983780      10.17502  
1 1 1 -26 24  3  o 96.982  3.1435  5140.43    330.196  5197.63    370.439  4919.27    728.443  97.411  3.5111  92.787  7.3075  4.624039       8.107231  
1 1 1 -26 24  4  o 45.937  4.4597  1174.25    219.092  1199.85    245.529  1074.21    485.376  46.290  4.9752  41.599  10.709  4.691570       11.80835  
1 1 1 -26 24  5  o 20.171  7.1898  204.314    198.084  200.257    221.957  220.191    439.053  20.556  7.5711  25.334  10.271  -4.778751      12.76019  
1 1 1 -26 24  6  o 49.456  4.4274  1359.60    234.650  1321.48    265.994  1493.35    498.253  48.537  5.1378  49.700  9.6036  -1.162586      10.89155  
1 1 1 -26 24  7  o 72.765  3.5832  2903.53    282.398  2933.17    322.696  2806.59    583.586  72.885  4.1045  69.536  7.8882  3.349136       8.892176  
1 1 1 -26 24  8  o 54.016  4.1233  1616.25    239.414  1677.18    270.070  1392.65    517.373  54.888  4.5848  47.449  10.358  7.439423       11.32716  
1 1 1 -26 24  9  o 77.332  2.8245  3266.06    236.572  3113.16    335.551  3417.17    333.583  75.029  4.1452  78.798  3.9086  -3.769104      5.697354  
1 1 1 -26 24  10 o 105.109 3.3647  6058.18    383.053  5840.26    441.784  6718.25    768.866  102.954 3.9618  108.641 6.5649  -5.686981      7.667746  
1 1 1 -26 24  11 o 41.783  2.2475  953.627    101.338  1064.45    270.578  935.546    109.292  43.110  5.9537  41.350  2.4512  1.760399       6.438612  
1 1 1 -26 24  12 o 16.414  7.0208  14.788     221.843  15.689     255.275  12.006     448.397  17.505  7.5104  22.420  9.7850  -4.915531      12.33504  
1 1 1 -26 24  13 o 37.547  6.3892  822.834    250.525  788.484    292.777  916.749    484.108  36.194  7.7048  37.581  11.115  -1.386868      13.52452  
1 1 1 -26 24  14 o 14.773  6.6392  -78.5051   221.814  -145.9463  256.202  123.355    443.247  15.068  6.9123  23.416  9.9673  -8.347699      12.12963  
1 1 1 -26 24  15 o 44.855  5.6439  1162.67    268.125  1278.40    323.594  909.192    478.910  46.552  6.6029  36.663  11.104  9.889362       12.91893  
1 1 1 -26 24  16 o 47.784  5.2463  1316.58    267.052  1383.35    318.939  1159.96    488.462  48.415  6.2264  40.983  10.838  7.432503       12.49929  
1 1 1 -26 24  17 o 32.241  7.2396  650.172    246.620  789.497    294.798  325.310    450.153  35.177  7.9273  25.213  10.332  9.964603       13.02287  
1 1 1 -26 24  18 o 22.405  8.1313  295.268    254.670  219.311    313.059  443.879    437.892  21.583  8.7002  26.702  10.441  -5.118771      13.59100  
1 1 1 -26 24  19 o 23.515  8.0212  347.784    244.999  333.967    282.797  389.358    490.536  23.382  8.5559  25.969  10.730  -2.587112      13.72327  
1 1 1 -26 24  20 o 16.332  7.3257  -32.9939   268.658  97.005     327.817  -298.9000  468.841  19.534  8.4466  18.342  8.7111  1.191854       12.13375  
1 1 1 -26 24  21 o 26.803  9.5870  511.338    352.491  511.338    352.491  0.0000     0.0000   26.803  9.5870  ?       ?       0.000000       9.587011  
1 1 1 -26 24  22 o 18.061  8.1873  -14.9332   345.824  -14.9332   345.824  0.0000     0.0000   18.061  8.1873  ?       ?       0.000000       8.187274  
1 1 1 -26 24  23 o 64.132  5.9327  2523.29    407.423  2523.29    407.423  0.0000     0.0000   64.132  5.9327  ?       ?       0.000000       5.932683  
1 1 1 -26 25  1  o 76.361  4.0131  3214.63    330.746  3524.13    383.630  2318.42    652.808  79.800  4.4563  61.934  10.078  17.86697       11.01955  
1 1 1 -26 25  2  f 48.513  4.9219  1316.06    255.039  1280.47    292.136  1430.09    522.948  47.562  5.7904  48.279  10.314  -0.7169876     11.82814  
1 1 1 -26 25  3  o 63.986  3.4788  2248.91    240.186  2080.37    264.357  3046.14    574.964  61.395  3.9973  72.832  7.3911  -11.43696      8.402722  
1 1 1 -26 25  4  o 104.252 3.1504  5941.06    355.724  6015.25    405.653  5694.10    740.102  104.760 3.5751  100.128 6.8659  4.632813       7.740934  
1 1 1 -26 25  5  o 69.181  3.6166  2631.12    270.047  2588.65    308.385  2770.77    559.233  68.448  4.1798  69.312  7.5725  -0.8645554     8.649442  
1 1 1 -26 25  6  o 83.661  3.3776  3832.49    306.062  4021.07    349.555  3213.01    633.563  85.579  3.7712  74.407  7.9865  11.17236       8.832054  
1 1 1 -26 25  7  o 76.509  2.8318  3195.38    234.662  3260.91    330.912  3129.11    332.821  76.893  3.9870  75.281  4.0973  1.612480       5.716991  
1 1 1 -26 25  8  o 54.554  4.2919  1652.03    251.553  1620.38    287.153  1756.46    521.608  53.800  4.9845  54.042  9.2436  -0.2418823     10.50189  
1 1 1 -26 25  9  o 52.220  4.2895  1515.59    240.469  1375.71    272.754  2003.73    509.533  49.448  5.1692  58.242  8.3131  -8.794548      9.789180  
1 1 1 -26 25  10 o 67.499  2.8693  2490.12    209.773  2764.06    335.911  2314.99    268.584  70.546  4.4185  64.739  3.8477  5.807716       5.859040  
1 1 1 -26 25  11 o 93.374  3.3624  4783.36    340.050  4683.95    389.880  5099.42    695.167  92.192  3.9045  94.303  6.8529  -2.111076      7.887146  
1 1 1 -26 25  12 f 40.050  6.0057  923.956    252.485  934.195    295.214  896.064    487.234  39.827  7.1042  37.346  11.175  2.481483       13.24227  
1 1 1 -26 25  13 o 24.040  8.1446  328.430    252.575  333.121    299.834  316.967    468.703  24.682  8.8405  26.698  10.686  -2.015785      13.86923  
1 1 1 -26 25  14 o 46.050  5.6755  1218.78    277.086  1225.71    332.055  1202.88    502.811  45.554  6.9501  42.760  10.842  2.794216       12.87797  
1 1 1 -26 25  15 o 42.415  5.7988  1046.66    259.418  782.507    306.509  1713.70    487.072  35.420  8.1578  52.293  8.9196  -16.87249      12.08757  
1 1 1 -26 25  16 o 26.453  8.1375  439.823    255.889  363.929    312.153  595.313    446.800  24.814  9.0029  30.005  10.787  -5.190411      14.05036  
1 1 1 -26 25  17 o 38.647  6.7172  911.562    270.964  877.786    330.796  980.440    472.382  36.721  8.4872  36.788  11.003  -0.6643295E-01 13.89570  
1 1 1 -26 25  18 o 30.596  7.6067  599.527    251.002  806.801    301.436  130.831    453.282  35.308  8.0598  22.480  9.8240  12.82737       12.70713  
1 1 1 -26 25  19 o 24.261  8.3471  376.116    265.436  684.898    322.870  -267.7687  466.235  31.632  8.9964  18.681  8.8168  12.95098       12.59649  
1 1 1 -26 25  20 o 15.391  6.9989  -73.7623   255.280  55.297     302.392  -393.8851  476.249  18.387  8.0299  17.792  8.5395  0.5947971      11.72185  
1 1 1 -26 25  21 o 20.365  8.5398  178.706    317.464  178.706    317.464  0.0000     0.0000   20.365  8.5398  ?       ?       0.000000       8.539806  
1 1 1 -26 25  22 o 19.653  8.4340  141.590    322.061  141.590    322.061  0.0000     0.0000   19.653  8.4340  ?       ?       0.000000       8.434040  
1 1 1 -26 25  23 o 29.856  10.123  699.529    390.193  699.529    390.193  0.0000     0.0000   29.856  10.123  ?       ?       0.000000       10.12305  
1 1 1 -26 26  1  o 61.984  4.3441  2128.31    289.797  2003.70    331.561  2531.59    596.463  59.856  5.1649  65.635  8.5970  -5.779076      10.02916  
1 1 1 -26 26  2  o 111.734 4.8093  6910.69    582.014  6839.20    818.112  6983.95    828.164  109.703 6.9208  110.853 6.9324  -1.149529      9.795703  
1 1 1 -26 26  3  o 136.796 3.3312  10241.50   493.564  10307.33   561.512  10017.78   1035.07  137.026 3.7834  132.565 7.2363  4.461700       8.165699  
1 1 1 -26 26  4  o 113.244 3.2249  7014.24    395.553  7368.10    452.091  5858.96    816.868  115.924 3.6007  101.077 7.5153  14.84725       8.333364  
1 1 1 -26 26  5  o 107.118 3.2402  6277.14    375.926  6548.07    430.193  5401.89    773.210  109.262 3.6351  97.085  7.4091  12.17757       8.252847  
1 1 1 -26 26  6  o 62.329  3.6670  2138.85    246.465  2144.05    276.816  2118.96    541.368  62.270  4.1277  59.942  8.5837  2.328777       9.524566  
1 1 1 -26 26  7  o 17.827  7.0018  115.524    197.626  150.131    219.992  -29.1794   449.849  19.253  7.4362  22.166  9.7341  -2.913374      12.24944  
1 1 1 -26 26  8  o 21.000  7.3294  231.676    205.007  192.083    230.163  383.674    450.970  20.467  7.6762  27.954  10.685  -7.486217      13.15625  
1 1 1 -26 26  9  o 38.882  5.8787  866.332    239.841  852.584    276.117  908.582    484.059  38.178  6.9327  37.883  11.089  0.2955818      13.07801  
1 1 1 -26 26  10 o 74.633  3.5866  3060.31    289.921  2945.54    331.656  3432.19    596.994  72.906  4.2181  77.084  7.2351  -4.177910      8.374908  
1 1 1 -26 26  11 o 69.722  3.7044  2681.83    278.739  2710.38    317.295  2585.31    583.422  69.907  4.2102  66.076  8.3377  3.831261       9.340432  
1 1 1 -26 26  12 o 73.502  2.9177  2956.94    232.279  3041.90    350.648  2890.50    310.067  73.936  4.3986  72.243  3.9780  1.692711       5.930597  
1 1 1 -26 26  13 f 76.539  3.8051  3235.71    315.444  3069.90    367.322  3701.54    615.664  74.089  4.6002  79.613  7.2184  -5.523499      8.559564  
1 1 1 -26 26  14 o 41.367  1.5523  930.146    69.548   386.338    295.217  962.100    71.562   25.672  8.8046  42.069  1.5705  -16.39726      8.943580  
1 1 1 -26 26  15 o 26.374  8.0012  429.466    248.509  456.317    291.944  358.826    473.524  27.102  8.7407  26.681  10.719  0.4214630      13.83134  
1 1 1 -26 26  16 o 26.840  7.9868  455.059    249.380  554.780    299.841  231.290    449.158  29.250  8.7699  24.142  10.143  5.108171       13.40828  
1 1 1 -26 26  17 o 66.843  4.2155  2530.21    303.632  2451.49    361.554  2718.59    559.277  65.083  5.1717  65.753  8.0193  -0.6696777     9.542293  
1 1 1 -26 26  18 o 13.957  6.4273  -118.9329  224.417  -209.3716  264.770  111.804    422.913  14.238  6.6966  21.755  9.4985  -7.516915      11.62183  
1 1 1 -26 26  19 o 36.579  8.8648  906.612    347.541  906.612    347.541  0.0000     0.0000   36.579  8.8648  ?       ?       0.000000       8.864762  
1 1 1 -26 26  20 o 41.643  8.3333  1154.22    362.742  1154.22    362.742  0.0000     0.0000   41.643  8.3333  ?       ?       0.000000       8.333293  
1 1 1 -26 26  21 o 19.960  8.6997  113.528    353.381  113.528    353.381  0.0000     0.0000   19.960  8.6997  ?       ?       0.000000       8.699680  
1 1 1 -26 26  22 o 30.194  9.6523  688.364    356.612  688.364    356.612  0.0000     0.0000   30.194  9.6523  ?       ?       0.000000       9.652269  
1 1 1 -26 26  23 o 40.165  10.203  1237.57    444.722  1237.57    444.722  0.0000     0.0000   40.165  10.203  ?       ?       0.000000       10.20281  
1 1 1 -26 27  1  o 105.193 3.1324  6050.20    356.886  6056.47    398.316  6024.65    803.646  105.123 3.4983  102.625 7.2772  2.498337       8.074428  
1 1 1 -26 27  2  o 19.554  7.4810  160.597    221.204  46.645     250.235  567.996    473.150  18.005  7.5677  31.540  11.126  -13.53418      13.45560  
1 1 1 -26 27  3  o 59.730  4.4332  1979.06    284.754  1814.62    329.385  2465.53    566.529  56.848  5.4150  64.958  8.2374  -8.110420      9.857828  
1 1 1 -26 27  4  o 102.141 3.1813  5705.56    351.948  5731.10    401.099  5620.10    733.751  102.221 3.6228  99.417  6.8562  2.804413       7.754448  
1 1 1 -26 27  5  o 71.180  3.5837  2785.28    275.407  2775.90    313.915  2816.61    573.898  70.896  4.1056  69.748  7.7266  1.148094       8.749690  
1 1 1 -26 27  6  o 23.027  7.0176  304.568    190.846  288.219    210.322  380.779    454.099  22.713  7.4257  28.023  10.719  -5.309649      13.04002  
1 1 1 -26 27  7  o 79.598  3.3604  3471.37    289.708  3531.83    328.022  3256.95    617.716  80.166  3.7778  74.946  7.7202  5.219635       8.595008  
1 1 1 -26 27  8  o 42.395  6.4439  1036.28    286.577  1011.14    351.633  1085.99    494.544  41.158  8.1763  41.461  10.877  -0.3036613     13.60740  
1 1 1 -26 27  9  o 57.003  4.2159  1803.42    258.441  1871.57    295.383  1580.93    533.707  57.888  4.7531  50.591  10.094  7.297886       11.15699  
1 1 1 -26 27  10 o 25.031  7.5257  367.344    220.572  392.588    249.885  278.287    469.346  25.885  8.0545  26.441  10.655  -0.5555725     13.35666  
1 1 1 -26 27  11 o 44.143  5.7059  1111.66    266.420  1080.28    313.524  1193.21    505.376  42.988  6.9725  43.265  10.814  -0.2763824     12.86722  
1 1 1 -26 27  12 o 52.770  4.8785  1565.99    275.679  1534.01    324.199  1649.50    523.868  51.797  5.8832  51.550  9.7395  0.2467346      11.37848  
1 1 1 -26 27  13 o 18.725  7.5128  121.405    232.242  18.076     270.231  413.371    454.244  17.883  7.7009  27.932  10.712  -10.04938      13.19308  
1 1 1 -26 27  14 o 35.154  7.1633  744.947    263.489  696.458    313.770  860.931    485.275  33.323  8.6262  35.852  11.236  -2.528446      14.16519  
1 1 1 -26 27  15 o 36.890  7.1322  827.182    274.663  967.729    330.296  512.143    494.509  39.456  8.0027  29.103  11.173  10.35228       13.74359  
1 1 1 -26 27  16 o 52.771  4.6344  1588.88    262.200  1812.85    344.788  1281.72    403.772  55.614  5.8098  44.669  8.6583  10.94528       10.42689  
1 1 1 -26 27  17 f 20.976  8.1024  226.398    261.193  356.512    324.978  -11.0139   438.979  24.428  9.1292  20.751  9.3318  3.676588       13.05467  
1 1 1 -26 27  18 o 35.887  8.4116  846.299    321.255  846.299    321.255  0.0000     0.0000   35.887  8.4116  ?       ?       0.000000       8.411603  
1 1 1 -26 27  19 o 20.135  8.3669  160.731    300.732  160.731    300.732  0.0000     0.0000   20.135  8.3669  ?       ?       0.000000       8.366851  
1 1 1 -26 27  20 o 24.797  9.0345  406.838    314.826  406.838    314.826  0.0000     0.0000   24.797  9.0345  ?       ?       0.000000       9.034472  
1 1 1 -26 27  21 o 15.592  7.3538  -211.3583  323.318  -211.3583  323.318  0.0000     0.0000   15.592  7.3538  ?       ?       0.000000       7.353792  
1 1 1 -26 27  22 o 21.035  9.0903  181.506    379.215  181.506    379.215  0.0000     0.0000   21.035  9.0903  ?       ?       0.000000       9.090315  
1 1 1 -26 27  23 o 30.375  10.078  721.012    386.855  721.012    386.855  0.0000     0.0000   30.375  10.078  ?       ?       0.000000       10.07774  
1 1 1 -26 28  1  o 19.957  6.6743  215.394    169.592  246.107    179.047  -52.5743   528.872  21.066  6.8496  23.664  10.466  -2.597939      12.50837  
1 1 1 -26 28  2  o 27.616  7.5141  450.594    230.743  351.904    262.420  786.952    484.464  25.023  8.3001  35.699  11.233  -10.67567      13.96647  
1 1 1 -26 28  3  o 103.721 4.7153  5953.68    529.721  6255.75    719.701  5596.58    782.512  105.244 6.3434  98.823  7.3636  6.420929       9.719100  
1 1 1 -26 28  4  o 47.520  2.4235  1233.16    124.320  1443.29    250.058  1164.17    143.283  50.904  4.5846  46.087  2.8849  4.817150       5.416779  
1 1 1 -26 28  5  o 20.997  2.1580  242.368    48.379   438.702    208.621  231.210    49.735   27.286  7.0190  20.484  2.2804  6.801504       7.380127  
1 1 1 -26 28  6  o 69.477  3.3900  2645.01    255.098  2716.41    285.071  2358.02    571.520  70.218  3.7620  63.202  8.5699  7.016056       9.359278  
1 1 1 -26 28  7  o 107.092 3.2869  6281.81    381.253  6418.00    436.446  5843.21    783.256  108.072 3.7286  100.921 7.2131  7.150642       8.119812  
1 1 1 -26 28  8  o 116.040 3.2234  7374.69    405.130  7459.42    462.021  7092.80    842.729  116.516 3.6610  111.304 7.0266  5.212418       7.923131  
1 1 1 -26 28  9  o 119.635 3.3033  7845.45    428.034  7938.93    491.107  7550.00    873.059  120.125 3.7746  114.742 7.0593  5.382477       8.005106  
1 1 1 -26 28  10 o 41.985  5.3161  999.456    236.329  969.548    268.406  1102.63    498.515  41.005  6.2404  41.598  10.924  -0.5929718     12.58109  
1 1 1 -26 28  11 o 40.141  5.6681  922.055    239.578  968.043    274.153  773.451    492.819  40.859  6.4055  34.964  11.364  5.895191       13.04468  
1 1 1 -26 28  12 o 21.377  7.7214  236.090    229.244  151.233    263.534  500.005    464.757  20.165  8.0326  29.643  10.949  -9.478071      13.57948  
1 1 1 -26 28  13 o 15.131  6.7293  -54.6990   221.596  -21.0885   253.610  -163.1869  455.638  16.735  7.3299  20.435  9.3151  -3.699743      11.85322  
1 1 1 -26 28  14 o 19.504  7.5927  165.158    230.759  46.353     265.913  527.499    464.386  18.084  7.7095  29.516  10.936  -11.43170      13.38041  
1 1 1 -26 28  15 o 75.147  3.9243  3156.95    318.301  3318.20    371.987  2716.11    615.063  76.674  4.4990  65.677  8.8736  10.99728       9.948953  
1 1 1 -26 28  16 o 66.247  5.2589  2536.66    374.235  2536.66    374.235  0.0000     0.0000   66.247  5.2589  ?       ?       0.000000       5.258885  
1 1 1 -26 28  17 o 25.911  8.8638  430.219    299.182  430.219    299.182  0.0000     0.0000   25.911  8.8638  ?       ?       0.000000       8.863810  
1 1 1 -26 28  18 o 16.620  7.5653  -87.3903   299.190  -87.3903   299.190  0.0000     0.0000   16.620  7.5653  ?       ?       0.000000       7.565264  
1 1 1 -26 28  19 o 43.054  7.9538  1199.56    357.236  1199.56    357.236  0.0000     0.0000   43.054  7.9538  ?       ?       0.000000       7.953752  
1 1 1 -26 28  20 o 16.882  7.6377  -46.4269   299.257  -46.4269   299.257  0.0000     0.0000   16.882  7.6377  ?       ?       0.000000       7.637740  
1 1 1 -26 28  21 o 23.392  9.7477  310.930    409.844  310.930    409.844  0.0000     0.0000   23.392  9.7477  ?       ?       0.000000       9.747743  
1 1 1 -26 28  22 o 15.613  7.4573  -283.4047  353.672  -283.4047  353.672  0.0000     0.0000   15.613  7.4573  ?       ?       0.000000       7.457251  
1 1 1 -26 29  1  o 68.649  3.3983  2582.20    252.680  2541.28    275.978  2794.33    628.333  67.913  3.7667  68.867  8.6121  -0.9537735     9.399806  
1 1 1 -26 29  2  o 54.367  3.7850  1631.31    221.489  1629.48    242.861  1640.31    539.970  54.229  4.1666  51.834  9.9802  2.395725       10.81505  
1 1 1 -26 29  3  o 33.687  6.6924  662.146    235.574  737.874    265.638  383.251    509.782  35.444  7.1658  28.808  11.266  6.636091       13.35156  
1 1 1 -26 29  4  o 37.848  6.4413  827.849    254.588  777.793    297.019  966.466    494.273  36.182  7.8082  39.188  11.126  -3.005951      13.59265  
1 1 1 -26 29  5  o 25.812  7.0602  391.743    203.079  330.476    226.428  643.693    459.169  24.074  7.6908  32.767  10.982  -8.692863      13.40719  
1 1 1 -26 29  6  o 108.416 3.2096  6434.18    376.893  6361.66    428.950  6679.74    789.332  107.623 3.6799  108.314 6.7621  -0.6909027     7.698557  
1 1 1 -26 29  7  o 76.616  3.5070  3220.98    291.025  3324.93    330.614  2863.22    613.331  77.613  3.9459  69.811  8.2725  7.802582       9.165379  
1 1 1 -26 29  8  o 82.709  3.5362  3755.58    316.779  3714.09    364.319  3884.18    641.360  82.060  4.0990  82.058  7.2922  0.1670837E-02  8.365278  
1 1 1 -26 29  9  o 91.157  3.4327  4559.88    338.920  4385.24    388.815  5112.34    691.549  89.175  4.0256  94.521  6.8005  -5.345436      7.902629  
1 1 1 -26 29  10 o 29.547  7.4443  521.729    238.130  595.473    274.763  299.160    477.338  31.416  8.0411  26.834  10.769  4.581116       13.44000  
1 1 1 -26 29  11 o 20.691  1.8578  234.704    41.192   297.117    257.524  233.065    41.729   23.380  8.2116  20.614  1.8900  2.765720       8.426293  
1 1 1 -26 29  12 o 27.241  7.8517  447.660    244.356  546.075    285.249  176.325    473.640  29.860  8.4434  24.782  10.413  5.078169       13.40638  
1 1 1 -26 29  13 o 34.497  6.7248  707.475    242.237  662.845    278.729  845.230    489.686  32.878  7.9210  35.731  11.299  -2.852924      13.79884  
1 1 1 -26 29  14 o 45.187  5.5144  1178.18    264.287  1181.02    308.432  1170.33    512.650  44.692  6.5677  41.415  11.172  3.276691       12.95919  
1 1 1 -26 29  15 o 18.764  8.1304  37.529     304.983  37.529     304.983  0.0000     0.0000   18.764  8.1304  ?       ?       0.000000       8.130377  
1 1 1 -26 29  16 o 18.731  7.9487  84.101     280.348  84.101     280.348  0.0000     0.0000   18.731  7.9487  ?       ?       0.000000       7.948687  
1 1 1 -26 29  17 o 39.422  8.4993  1012.82    352.225  1012.82    352.225  0.0000     0.0000   39.422  8.4993  ?       ?       0.000000       8.499285  
1 1 1 -26 29  18 o 29.152  8.9255  573.836    308.264  573.836    308.264  0.0000     0.0000   29.152  8.9255  ?       ?       0.000000       8.925522  
1 1 1 -26 29  19 o 42.680  6.3121  1111.90    282.983  1336.90    338.335  587.983    516.278  46.327  6.9579  28.638  11.295  17.68935       13.26592  
1 1 1 -26 29  20 o 16.803  7.8876  -199.4498  364.242  -199.4498  364.242  0.0000     0.0000   16.803  7.8876  ?       ?       0.000000       7.887608  
1 1 1 -26 29  21 o 19.141  8.7700  -38.2737   410.669  -38.2737   410.669  0.0000     0.0000   19.141  8.7700  ?       ?       0.000000       8.770014  
1 1 1 -26 29  22 o 22.745  9.8381  254.369    444.998  254.369    444.998  0.0000     0.0000   22.745  9.8381  ?       ?       0.000000       9.838127  
1 1 1 -26 30  1  o 14.485  6.2293  -2.2288    176.346  53.466     187.559  -426.6602  517.767  16.072  6.6370  20.006  9.3953  -3.934595      11.50311  
1 1 1 -26 30  2  o 49.952  4.0283  1382.33    216.092  1439.00    236.888  1101.41    527.407  50.882  4.3400  41.643  11.373  9.238846       12.17250  
1 1 1 -26 30  3  o 17.012  7.3042  7.1803     241.764  -43.4645   279.485  157.734    481.877  17.420  7.6607  25.135  10.530  -7.714954      13.02168  
1 1 1 -26 30  4  o 59.179  4.6830  1950.88    297.712  2008.46    353.611  1810.70    551.727  59.730  5.5286  54.637  9.6774  5.092865       11.14530  
1 1 1 -26 30  5  o 84.580  3.3062  3918.52    302.879  4013.21    343.630  3588.79    641.219  85.470  3.7120  78.749  7.6128  6.720695       8.469566  
1 1 1 -26 30  6  o 89.526  2.8786  4378.90    279.121  4488.17    354.699  4201.19    452.349  90.405  3.6224  86.879  4.8262  3.525757       6.034387  
1 1 1 -26 30  7  o 82.486  3.4054  3731.23    304.242  3855.31    346.222  3310.60    637.445  83.713  3.8185  75.320  7.9330  8.392151       8.804207  
1 1 1 -26 30  8  f 63.616  3.9219  2237.15    268.911  2094.78    306.431  2714.06    560.849  61.298  4.6501  68.218  7.7269  -6.919979      9.018213  
1 1 1 -26 30  9  o 46.707  4.8290  1224.47    240.767  1174.19    272.933  1400.89    511.214  45.430  5.6702  47.397  10.256  -1.966526      11.71913  
1 1 1 -26 30  10 o 17.450  7.2511  62.477     225.879  64.789     259.670  55.286     457.908  18.493  7.7370  23.156  9.9979  -4.663109      12.64193  
1 1 1 -26 30  11 o 43.269  5.0315  1059.28    231.397  1096.10    260.813  923.117    501.560  43.795  5.6286  37.692  11.352  6.103516       12.67074  
1 1 1 -26 30  12 o 21.382  7.4617  247.986    212.472  176.581    238.578  521.742    467.142  20.092  7.7485  29.915  10.989  -9.823542      13.44602  
1 1 1 -26 30  13 f 31.934  7.5904  622.744    258.672  708.367    305.709  406.935    485.344  33.746  8.3978  27.919  10.970  5.826981       13.81556  
1 1 1 -26 30  14 o 31.669  9.3318  648.174    341.784  648.174    341.784  0.0000     0.0000   31.669  9.3318  ?       ?       0.000000       9.331821  
1 1 1 -26 30  15 o 50.658  6.0798  1512.48    326.926  1512.48    326.926  0.0000     0.0000   50.658  6.0798  ?       ?       0.000000       6.079817  
1 1 1 -26 30  16 o 22.958  8.9204  282.419    318.042  282.419    318.042  0.0000     0.0000   22.958  8.9204  ?       ?       0.000000       8.920359  
1 1 1 -26 30  17 o 30.974  9.0024  644.546    320.028  644.546    320.028  0.0000     0.0000   30.974  9.0024  ?       ?       0.000000       9.002386  
1 1 1 -26 30  18 o 15.416  6.9472  -57.2022   244.773  76.631     288.375  -402.1368  462.961  18.576  7.9766  17.667  8.4635  0.9089832      11.63001  
1 1 1 -26 30  19 o 54.495  8.2283  1936.10    470.539  1936.10    470.539  0.0000     0.0000   54.495  8.2283  ?       ?       0.000000       8.228345  
1 1 1 -26 30  20 o 28.007  9.9966  570.981    383.064  570.981    383.064  0.0000     0.0000   28.007  9.9966  ?       ?       0.000000       9.996634  
1 1 1 -26 30  21 o 44.796  9.3594  1428.26    439.467  1428.26    439.467  0.0000     0.0000   44.796  9.3594  ?       ?       0.000000       9.359410  
1 1 1 -26 30  22 o 27.964  9.9498  592.987    379.195  592.987    379.195  0.0000     0.0000   27.964  9.9498  ?       ?       0.000000       9.949765  
1 1 1 -26 31  1  o 16.590  6.6305  87.049     180.138  118.956    192.147  -144.5401  517.666  17.734  6.9216  22.415  10.102  -4.680431      12.24558  
1 1 1 -26 31  2  o 67.839  3.4739  2530.33    254.398  2519.76    282.306  2575.97    586.821  67.574  3.8733  66.162  8.3766  1.412491       9.228760  
1 1 1 -26 31  3  o 133.490 3.2597  9757.95    471.293  9627.12    534.335  10216.32   1000.17  132.367 3.7270  133.867 6.9217  -1.500107      7.861385  
1 1 1 -26 31  4  o 117.026 3.8335  7531.74    485.902  7880.04    580.482  6716.38    888.141  119.362 4.4900  107.857 7.6523  11.50579       8.872349  
1 1 1 -26 31  5  o 89.971  3.2541  4433.41    317.103  4627.16    359.947  3761.78    670.166  91.794  3.6204  80.476  7.7859  11.31853       8.586473  
1 1 1 -26 31  6  o 26.116  7.0465  402.472    203.924  510.064    227.247  -42.4555   462.117  29.323  7.2065  22.221  9.8080  7.101210       12.17086  
1 1 1 -26 31  7  o 34.113  5.8682  670.343    208.997  628.274    231.783  853.300    483.370  32.710  6.7656  36.769  11.160  -4.059299      13.05063  
1 1 1 -26 31  8  o 59.599  3.9894  1966.19    256.038  1807.42    289.750  2531.86    546.920  56.874  4.7471  65.787  7.8294  -8.912788      9.156075  
1 1 1 -26 31  9  o 45.234  6.3566  1178.72    302.836  1141.23    375.432  1248.55    512.367  43.653  8.2426  44.364  10.771  -0.7107124     13.56308  
1 1 1 -26 31  10 o 69.319  3.8491  2657.06    287.855  2816.87    331.184  2163.37    582.093  71.193  4.3154  59.631  9.3174  11.56189       10.26825  
1 1 1 -26 31  11 o 50.314  4.8620  1425.49    261.654  1460.56    301.383  1318.16    527.260  50.630  5.5891  45.152  10.904  5.477913       12.25337  
1 1 1 -26 31  12 o 45.621  2.6318  1142.04    129.491  1532.97    318.583  1064.68    141.726  51.698  5.7890  43.958  2.9946  7.739166       6.517628  
1 1 1 -26 31  13 o 24.974  8.3357  370.152    264.531  370.152    264.531  0.0000     0.0000   24.974  8.3357  ?       ?       0.000000       8.335734  
1 1 1 -26 31  14 o 44.074  7.1472  1172.94    329.497  1172.94    329.497  0.0000     0.0000   44.074  7.1472  ?       ?       0.000000       7.147151  
1 1 1 -26 31  15 o 30.770  9.0047  622.820    319.220  622.820    319.220  0.0000     0.0000   30.770  9.0047  ?       ?       0.000000       9.004745  
1 1 1 -26 31  16 o 27.220  8.7247  481.883    291.220  481.883    291.220  0.0000     0.0000   27.220  8.7247  ?       ?       0.000000       8.724728  
1 1 1 -26 31  17 o 49.003  5.2421  1400.65    273.910  1459.55    321.777  1245.67    521.955  49.395  6.1476  40.974  11.364  8.420715       12.92014  
1 1 1 -26 31  18 o 45.154  6.1315  1229.76    292.113  1083.01    352.224  1553.08    522.802  40.702  8.2717  46.458  10.621  -5.755486      13.46227  
1 1 1 -26 31  19 o 26.356  10.109  468.726    404.545  468.726    404.545  0.0000     0.0000   26.356  10.109  ?       ?       0.000000       10.10894  
1 1 1 -26 31  20 o 21.628  9.3962  169.355    409.492  169.355    409.492  0.0000     0.0000   21.628  9.3962  ?       ?       0.000000       9.396201  
1 1 1 -26 31  21 o 18.423  8.5134  -83.1030   398.773  -83.1030   398.773  0.0000     0.0000   18.423  8.5134  ?       ?       0.000000       8.513369  
1 1 1 -26 31  22 o 19.589  9.0179  -32.2863   441.343  -32.2863   441.343  0.0000     0.0000   19.589  9.0179  ?       ?       0.000000       9.017897  
1 1 1 -26 32  1  o 38.061  4.8447  816.271    195.192  839.590    208.671  653.065    552.045  38.521  5.1289  33.323  11.989  5.197788       13.04033  
1 1 1 -26 32  2  o 48.921  4.0709  1327.72    213.746  1414.92    233.239  870.547    534.081  50.440  4.3107  37.101  11.807  13.33946       12.56951  
1 1 1 -26 32  3  o 17.153  6.6511  114.038    176.531  148.612    189.035  -121.6746  493.578  18.399  6.9450  22.095  9.9189  -3.696157      12.10861  
1 1 1 -26 32  4  o 81.862  3.7962  3685.38    336.594  3543.59    390.065  4098.81    666.064  79.897  4.5261  84.307  7.3683  -4.410553      8.647389  
1 1 1 -26 32  5  o 54.523  4.9871  1665.78    291.250  1875.12    350.446  1198.29    523.691  57.591  5.6927  43.443  11.091  14.14878       12.46706  
1 1 1 -26 32  6  o 22.748  7.2538  294.223    201.498  293.715    224.145  296.363    460.021  22.974  7.6731  26.630  10.611  -3.656088      13.09485  
1 1 1 -26 32  7  o 35.454  5.8883  723.415    218.178  731.804    244.614  690.774    482.509  35.407  6.6220  33.589  11.258  1.817833       13.06088  
1 1 1 -26 32  8  o 19.680  7.1308  191.590    195.741  182.833    215.896  232.031    463.960  19.885  7.4390  25.690  10.504  -5.805573      12.87162  
1 1 1 -26 32  9  o 63.575  4.0527  2239.79    277.605  2335.15    318.944  1941.82    563.815  64.718  4.5797  56.359  9.5792  8.358799       10.61766  
1 1 1 -26 32  10 o 27.329  7.5106  447.503    229.183  487.038    261.240  315.419    477.498  28.405  8.0971  26.924  10.783  1.481302       13.48464  
1 1 1 -26 32  11 o 22.020  7.7365  262.382    228.595  175.020    260.794  552.092    474.916  20.566  8.0535  30.559  11.102  -9.992796      13.71540  
1 1 1 -26 32  12 o 32.778  8.7243  670.838    315.193  670.838    315.193  0.0000     0.0000   32.778  8.7243  ?       ?       0.000000       8.724281  
1 1 1 -26 32  13 o 80.122  4.8154  3625.61    415.940  3625.61    415.940  0.0000     0.0000   80.122  4.8154  ?       ?       0.000000       4.815357  
1 1 1 -26 32  14 o 27.146  9.3656  460.391    334.278  460.391    334.278  0.0000     0.0000   27.146  9.3656  ?       ?       0.000000       9.365614  
1 1 1 -26 32  15 o 34.540  7.5310  747.981    273.792  747.981    273.792  0.0000     0.0000   34.540  7.5310  ?       ?       0.000000       7.531003  
1 1 1 -26 32  16 o 19.562  7.9718  150.676    266.092  165.152    314.915  114.542    497.531  20.770  8.5904  23.140  10.197  -2.370199      13.33316  
1 1 1 -26 32  17 o 32.288  7.2455  657.636    247.157  727.760    286.175  451.785    490.312  33.522  7.9942  27.089  10.899  6.433126       13.51670  
1 1 1 -26 32  18 o 23.427  8.1205  344.368    251.446  487.919    322.901  123.218    400.782  26.929  9.2085  21.350  9.2856  5.579023       13.07742  
1 1 1 -26 32  19 o 17.651  8.1241  -106.0011  357.918  -106.0011  357.918  0.0000     0.0000   17.651  8.1241  ?       ?       0.000000       8.124129  
1 1 1 -26 32  20 o 17.678  8.1762  -112.6277  368.917  -112.6277  368.917  0.0000     0.0000   17.678  8.1762  ?       ?       0.000000       8.176179  
1 1 1 -26 32  21 o 23.450  9.3849  345.500    361.426  345.500    361.426  0.0000     0.0000   23.450  9.3849  ?       ?       0.000000       9.384924  
1 1 1 -26 32  22 o 40.807  9.1640  1189.36    395.125  1189.36    395.125  0.0000     0.0000   40.807  9.1640  ?       ?       0.000000       9.164046  
1 1 1 -26 33  1  o 66.566  3.3768  2435.55    242.660  2462.05    263.441  2287.20    623.340  66.844  3.6526  61.385  9.6975  5.458935       10.36255  
1 1 1 -26 33  2  o 14.302  6.1798  -8.5643    175.206  -3.3176    188.687  -41.3947   471.996  14.930  6.4321  22.448  9.9100  -7.518357      11.81437  
1 1 1 -26 33  3  o 95.103  3.1378  4950.38    323.217  4720.90    360.804  5882.83    727.302  92.720  3.5928  101.635 6.6435  -8.914970      7.552749  
1 1 1 -26 33  4  f 60.368  3.5804  2007.80    233.063  1967.79    254.841  2212.33    576.184  59.646  3.9673  60.801  9.0231  -1.154976      9.856807  
1 1 1 -26 33  5  o 92.543  3.4147  4697.12    342.267  5055.63    486.722  4346.42    481.399  95.469  4.7070  88.227  5.0589  7.242493       6.910007  
1 1 1 -26 33  6  o 32.573  6.1198  615.582    207.977  644.119    231.254  494.853    475.652  33.155  6.6708  30.024  11.079  3.131416       12.93242  
1 1 1 -26 33  7  o 19.724  7.2438  187.336    202.971  172.529    225.961  249.195    461.846  19.870  7.5707  25.917  10.525  -6.047157      12.96512  
1 1 1 -26 33  8  f 45.156  4.7086  1143.73    226.902  1104.39    253.488  1302.31    508.942  44.121  5.4183  45.457  10.542  -1.335621      11.85278  
1 1 1 -26 33  9  o 92.813  3.3564  4729.09    337.408  4784.34    385.167  4546.83    699.581  93.169  3.8169  88.505  7.3648  4.663315       8.295098  
1 1 1 -26 33  10 o 58.654  4.4426  1921.04    280.136  2026.86    325.308  1617.38    551.053  59.996  5.0532  50.541  10.413  9.454430       11.57431  
1 1 1 -26 33  11 o 38.629  7.2083  889.139    290.499  889.139    290.499  0.0000     0.0000   38.629  7.2083  ?       ?       0.000000       7.208281  
1 1 1 -26 33  12 o 24.773  8.8650  345.745    301.429  345.745    301.429  0.0000     0.0000   24.773  8.8650  ?       ?       0.000000       8.865008  
1 1 1 -26 33  13 o 29.507  8.1357  545.054    268.408  545.054    268.408  0.0000     0.0000   29.507  8.1357  ?       ?       0.000000       8.135659  
1 1 1 -26 33  14 o 51.726  4.8800  1530.42    270.169  1548.91    309.526  1471.26    553.630  51.597  5.6300  45.837  11.238  5.760109       12.56942  
1 1 1 -26 33  15 o 20.244  7.8107  203.001    242.509  223.425    277.951  137.887    496.297  21.271  8.3184  23.490  10.272  -2.219448      13.21786  
1 1 1 -26 33  16 o 10.054  2.9838  56.730     34.839   148.791    235.818  54.676     35.226   18.871  7.5708  9.9095  3.0138  8.961920       8.148585  
1 1 1 -26 33  17 o 22.071  7.5518  295.635    217.167  140.150    259.121  662.618    398.088  19.102  7.8348  30.632  10.226  -11.53013      12.88216  
1 1 1 -26 33  18 o 17.903  7.8224  37.682     287.275  37.682     287.275  0.0000     0.0000   17.903  7.8224  ?       ?       0.000000       7.822400  
1 1 1 -26 33  19 o 29.152  10.782  634.465    451.015  634.465    451.015  0.0000     0.0000   29.152  10.782  ?       ?       0.000000       10.78229  
1 1 1 -26 33  20 o 23.944  9.7873  344.627    402.642  344.627    402.642  0.0000     0.0000   23.944  9.7873  ?       ?       0.000000       9.787272  
1 1 1 -26 33  21 o 16.185  7.7352  -300.4837  381.739  -300.4837  381.739  0.0000     0.0000   16.185  7.7352  ?       ?       0.000000       7.735229  
1 1 1 -26 34  1  o 46.373  3.9369  1192.64    195.870  1197.06    219.527  1175.37    433.750  46.316  4.4301  43.798  9.4231  2.518425       10.41251  
1 1 1 -26 34  2  o 40.891  2.6760  916.463    117.865  1473.33    226.528  709.743    138.018  51.533  4.0922  35.772  3.6117  15.76107       5.458067  
1 1 1 -26 34  3  o 41.980  4.5038  985.982    201.584  1019.44    218.146  790.414    527.421  42.599  4.8124  35.569  11.765  7.029705       12.71158  
1 1 1 -26 34  4  o 27.175  6.4602  433.950    187.356  478.761    201.601  150.051    507.437  28.514  6.6500  25.409  10.733  3.105003       12.62621  
1 1 1 -26 34  5  o 30.569  7.3560  556.037    240.601  674.534    279.882  220.519    470.955  33.558  7.8415  25.686  10.552  7.872509       13.14660  
1 1 1 -26 34  6  o 43.828  4.6788  1076.74    218.671  1142.66    243.202  798.537    499.620  45.032  5.0747  35.654  11.428  9.378178       12.50382  
1 1 1 -26 34  7  o 13.737  6.1653  -73.9453   190.573  -48.1719   209.919  -194.7570  454.486  14.917  6.5959  20.388  9.2974  -5.470769      11.39947  
1 1 1 -26 34  8  o 31.966  6.4328  598.756    215.008  593.856    239.767  618.875    485.821  31.594  7.1709  32.121  11.279  -0.5274162     13.36539  
1 1 1 -26 34  9  o 43.697  5.2412  1083.30    243.108  1009.65    275.863  1339.37    514.381  41.755  6.2954  45.873  10.570  -4.117996      12.30280  
1 1 1 -26 34  10 o 25.068  8.6018  358.246    281.790  358.246    281.790  0.0000     0.0000   25.068  8.6018  ?       ?       0.000000       8.601795  
1 1 1 -26 34  11 o 79.064  4.8582  3513.77    414.012  3513.77    414.012  0.0000     0.0000   79.064  4.8582  ?       ?       0.000000       4.858152  
1 1 1 -26 34  12 o 40.508  7.0825  982.996    299.429  982.996    299.429  0.0000     0.0000   40.508  7.0825  ?       ?       0.000000       7.082512  
1 1 1 -26 34  13 o 32.217  7.4616  640.757    255.250  628.647    294.715  677.109    510.614  31.459  8.4640  31.880  11.522  -0.4207935     14.29699  
1 1 1 -26 34  14 o 10.029  2.9741  56.320     34.624   160.539    278.906  54.689     34.894   20.152  8.1809  9.9137  2.9961  10.23872       8.712242  
1 1 1 -26 34  15 o 51.147  4.5157  1492.46    247.591  1360.08    276.537  2027.35    555.871  48.306  5.3766  55.248  9.6401  -6.941467      11.03809  
1 1 1 -26 34  16 o 42.556  5.3230  1059.71    239.985  1064.72    286.629  1047.97    438.897  41.912  6.5266  38.608  10.304  3.303410       12.19689  
1 1 1 -26 34  17 o 21.035  8.1164  234.969    261.879  212.066    346.139  265.628    400.484  21.856  9.0203  23.425  9.6880  -1.568577      13.23717  
1 1 1 -26 34  18 o 15.924  7.3833  -149.6885  303.625  -149.6885  303.625  0.0000     0.0000   15.924  7.3833  ?       ?       0.000000       7.383273  
1 1 1 -26 34  19 o 22.095  9.2018  235.797    364.907  235.797    364.907  0.0000     0.0000   22.095  9.2018  ?       ?       0.000000       9.201797  
1 1 1 -26 34  20 o 21.708  9.5170  163.199    428.446  163.199    428.446  0.0000     0.0000   21.708  9.5170  ?       ?       0.000000       9.516990  
1 1 1 -26 34  21 o 23.453  9.5842  333.198    385.992  333.198    385.992  0.0000     0.0000   23.453  9.5842  ?       ?       0.000000       9.584213  
1 1 1 -26 35  1  o 48.571  3.8466  1306.43    200.702  1197.69    214.224  2087.10    574.018  46.359  4.3160  58.771  9.3293  -12.41182      10.27931  
1 1 1 -26 35  2  o 24.719  6.6265  359.037    181.032  387.847    193.060  149.215    521.015  25.648  6.8285  25.625  10.853  0.2374840E-01  12.82233  
1 1 1 -26 35  3  o 38.481  4.9350  835.782    200.944  855.259    217.577  722.807    524.010  38.812  5.3155  34.320  11.731  4.491882       12.87882  
1 1 1 -26 35  4  o 35.464  5.2510  715.545    195.601  714.328    210.884  723.043    523.346  35.285  5.7134  34.319  11.723  0.9650764      13.04144  
1 1 1 -26 35  5  o 29.628  7.4115  523.153    237.235  626.667    273.903  212.311    474.642  32.308  7.8946  25.616  10.566  6.692022       13.18986  
1 1 1 -26 35  6  o 22.763  8.1726  269.214    256.384  479.944    306.759  -219.0668  466.948  28.406  8.9382  20.459  9.3658  7.946959       12.94635  
1 1 1 -26 35  7  o 40.409  5.0542  923.562    216.371  1031.58    240.149  457.696    498.722  42.647  5.3143  29.523  11.248  13.12477       12.43990  
1 1 1 -26 35  8  o 16.648  7.0128  38.962     215.647  43.095     243.582  23.982     463.764  17.607  7.4368  22.851  9.9628  -5.244453      12.43241  
1 1 1 -26 35  9  o 16.405  7.2289  -39.0900   250.017  -39.0900   250.017  0.0000     0.0000   16.405  7.2289  ?       ?       0.000000       7.228899  
1 1 1 -26 35  10 o 30.130  7.9516  553.794    263.277  553.794    263.277  0.0000     0.0000   30.130  7.9516  ?       ?       0.000000       7.951606  
1 1 1 -26 35  11 o 42.643  6.0721  1057.13    272.527  1057.13    272.527  0.0000     0.0000   42.643  6.0721  ?       ?       0.000000       6.072113  
1 1 1 -26 35  12 o 25.151  7.8373  383.879    236.490  367.229    268.741  441.029    497.891  24.856  8.4013  28.279  11.111  -3.422945      13.93002  
1 1 1 -26 35  13 o 44.773  5.3282  1158.81    253.311  1183.65    287.964  1073.84    532.618  44.841  6.0864  38.766  11.703  6.075863       13.19127  
1 1 1 -26 35  14 o 27.468  7.1198  469.685    213.567  494.821    235.353  352.465    508.253  28.018  7.5744  26.379  10.912  1.639158       13.28328  
1 1 1 -26 35  15 o 24.354  1.4387  323.846    37.782   224.057    261.422  325.975    38.183   20.999  8.1074  24.433  1.4493  -3.434374      8.235923  
1 1 1 -26 35  16 o 26.843  7.2032  454.779    213.784  485.442    251.311  374.483    406.675  27.420  7.9799  25.391  10.021  2.028465       12.81033  
1 1 1 -26 35  17 o 17.735  7.4415  91.060     241.287  57.432     306.227  146.123    391.853  18.705  8.1258  21.582  9.2837  -2.877439      12.33757  
1 1 1 -26 35  18 o 18.110  7.8623  57.123     286.323  57.123     286.323  0.0000     0.0000   18.110  7.8623  ?       ?       0.000000       7.862344  
1 1 1 -26 35  19 o 23.215  9.6131  289.553    395.023  289.553    395.023  0.0000     0.0000   23.215  9.6131  ?       ?       0.000000       9.613092  
1 1 1 -26 35  20 o 17.964  8.0892  -6.6739    331.113  -6.6739    331.113  0.0000     0.0000   17.964  8.0892  ?       ?       0.000000       8.089151  
1 1 1 -26 35  21 o 18.919  8.3541  66.142     335.650  66.142     335.650  0.0000     0.0000   18.919  8.3541  ?       ?       0.000000       8.354111  
1 1 1 -26 36  1  o 40.940  4.2899  936.067    187.401  871.923    198.777  1448.83    562.015  39.359  4.7595  47.724  11.085  -8.364655      12.06352  
1 1 1 -26 36  2  o 50.121  3.9466  1392.40    212.516  1343.67    229.157  1691.80    568.054  49.110  4.3533  52.124  10.426  -3.014828      11.29838  
1 1 1 -26 36  3  o 35.830  5.0662  728.036    191.128  744.641    205.614  622.487    518.383  36.130  5.4215  32.513  11.626  3.617210       12.82841  
1 1 1 -26 36  4  o 51.826  1.7635  1459.69    98.988   850.722    228.266  1600.74    109.855  38.592  5.6265  54.261  1.8692  -15.66864      5.928892  
1 1 1 -26 36  5  o 42.186  4.5171  996.592    203.185  997.806    222.911  990.627    494.033  42.061  4.9904  39.384  11.103  2.677212       12.17301  
1 1 1 -26 36  6  o 48.339  5.3092  1321.18    273.390  1394.30    322.664  1135.10    514.733  49.319  6.1758  42.051  11.128  7.268715       12.72709  
1 1 1 -26 36  7  o 69.335  3.9336  2660.40    294.185  2548.85    339.827  2994.04    587.693  67.565  4.6724  71.491  7.7119  -3.926117      9.016923  
1 1 1 -26 36  8  o 18.909  7.6653  111.229    244.498  111.229    244.498  0.0000     0.0000   18.909  7.6653  ?       ?       0.000000       7.665329  
1 1 1 -26 36  9  o 35.415  7.3561  750.858    272.945  750.858    272.945  0.0000     0.0000   35.415  7.3561  ?       ?       0.000000       7.356140  
1 1 1 -26 36  10 o 26.091  8.3357  407.032    265.996  407.032    265.996  0.0000     0.0000   26.091  8.3357  ?       ?       0.000000       8.335732  
1 1 1 -26 36  11 f 32.911  2.2089  593.808    78.284   811.506    263.538  572.740    81.985   36.861  6.8533  32.291  2.3605  4.569210       7.248369  
1 1 1 -26 36  12 o 38.912  2.2077  829.778    92.660   934.906    271.371  815.904    98.585   39.640  6.5493  38.549  2.3727  1.090992       6.965893  
1 1 1 -26 36  13 o 31.105  1.7641  528.932    59.187   485.633    240.376  531.727    61.067   27.818  7.7107  31.178  1.8162  -3.360691      7.921672  
1 1 1 -26 36  14 o 57.012  4.1088  1834.46    252.020  1880.51    295.890  1712.78    480.982  57.303  4.8120  51.459  8.9551  5.844238       10.16604  
1 1 1 -26 36  15 o 20.183  7.4099  222.402    212.359  343.982    252.221  -73.6616   393.589  23.694  8.1376  19.216  8.7200  4.478149       11.92723  
1 1 1 -26 36  16 o 27.305  1.5352  407.373    45.218   313.684    298.561  409.572    45.745   23.238  8.7373  27.377  1.5491  -4.139406      8.873543  
1 1 1 -26 36  17 o 26.216  9.0769  453.808    314.121  453.808    314.121  0.0000     0.0000   26.216  9.0769  ?       ?       0.000000       9.076906  
1 1 1 -26 36  18 o 26.786  9.7363  492.286    365.327  492.286    365.327  0.0000     0.0000   26.786  9.7363  ?       ?       0.000000       9.736264  
1 1 1 -26 36  19 f 23.112  9.2177  313.865    347.408  313.865    347.408  0.0000     0.0000   23.112  9.2177  ?       ?       0.000000       9.217658  
1 1 1 -26 36  20 o 21.768  9.1000  237.083    358.802  237.083    358.802  0.0000     0.0000   21.768  9.1000  ?       ?       0.000000       9.099958  
1 1 1 -26 36  21 o 20.672  8.9356  158.596    366.615  158.596    366.615  0.0000     0.0000   20.672  8.9356  ?       ?       0.000000       8.935563  
1 1 1 -26 37  1  o 18.577  6.3940  182.002    155.759  169.316    162.963  316.055    529.737  18.326  6.5224  27.835  11.283  -9.509586      13.03292  
1 1 1 -26 37  2  o 47.426  4.0479  1249.55    205.937  1143.75    221.422  1927.55    560.534  45.196  4.5868  56.231  9.5449  -11.03497      10.58978  
1 1 1 -26 37  3  o 74.738  3.2310  3061.37    261.545  3083.02    287.699  2958.27    627.809  74.911  3.5459  70.750  8.3540  4.161072       9.075356  
1 1 1 -26 37  4  o 92.743  3.1261  4710.92    314.021  4655.25    348.552  4950.86    723.614  92.064  3.4955  92.578  7.2752  -0.5131302     8.071331  
1 1 1 -26 37  5  o 72.535  3.2597  2885.03    256.088  2801.34    284.630  3240.66    586.741  71.257  3.7007  74.723  7.3447  -3.465851      8.224312  
1 1 1 -26 37  6  o 40.455  9.1790  1008.45    392.972  672.506    629.703  1222.74    502.922  33.785  12.692  43.807  10.693  -10.02127      16.59596  
1 1 1 -26 37  7  f 24.090  7.7135  336.242    227.671  336.242    227.671  0.0000     0.0000   24.090  7.7135  ?       ?       0.000000       7.713495  
1 1 1 -26 37  8  o 20.056  7.5997  184.149    226.910  184.149    226.910  0.0000     0.0000   20.056  7.5997  ?       ?       0.000000       7.599736  
1 1 1 -26 37  9  o 44.665  5.8324  1147.87    275.417  1147.87    275.417  0.0000     0.0000   44.665  5.8324  ?       ?       0.000000       5.832384  
1 1 1 -26 37  10 o 55.252  4.2899  1709.01    254.708  1839.19    286.613  1220.03    555.490  57.160  4.6703  42.390  11.711  14.77003       12.60767  
1 1 1 -26 37  11 o 44.664  4.5806  1129.07    218.450  1027.57    239.495  1631.63    532.927  42.259  5.3524  50.103  10.168  -7.843861      11.49063  
1 1 1 -26 37  12 o 35.452  5.4354  732.224    202.053  988.383    231.292  -93.1422   415.173  41.360  5.2839  19.829  8.9814  21.53042       10.42038  
1 1 1 -26 37  13 o 41.384  5.0105  988.388    220.011  974.781    255.196  1027.78    434.206  40.582  5.9856  38.772  10.202  1.809387       11.82804  
1 1 1 -26 37  14 o 14.095  6.2485  -31.9862   189.592  -20.6986   218.361  -66.5575   382.147  15.282  6.7437  19.102  8.6376  -3.820292      10.95832  
1 1 1 -26 37  15 o 15.792  6.8076  23.552     211.628  30.083     251.962  7.9080     389.942  17.084  7.3963  20.042  8.9195  -2.958338      11.58716  
1 1 1 -26 37  16 o 39.701  5.9414  943.829    247.630  956.138    299.589  917.284    439.967  39.019  7.3587  35.573  10.614  3.446705       12.91518  
1 1 1 -26 37  17 o 19.030  8.2002  81.843     306.810  81.843     306.810  0.0000     0.0000   19.030  8.2002  ?       ?       0.000000       8.200172  
1 1 1 -26 37  18 o 26.030  9.0040  457.690    309.058  457.690    309.058  0.0000     0.0000   26.030  9.0040  ?       ?       0.000000       9.003975  
1 1 1 -26 37  19 o 26.419  9.7751  489.071    370.766  489.071    370.766  0.0000     0.0000   26.419  9.7751  ?       ?       0.000000       9.775115  
1 1 1 -26 37  20 o 37.365  9.4435  1007.89    382.360  1007.89    382.360  0.0000     0.0000   37.365  9.4435  ?       ?       0.000000       9.443527  
1 1 1 -26 37  21 o 17.545  7.9715  -36.9191   330.231  -36.9191   330.231  0.0000     0.0000   17.545  7.9715  ?       ?       0.000000       7.971463  
1 1 1 -26 38  1  o 43.080  1.3305  1007.22    62.081   1008.82    62.479   883.010    551.370  43.114  1.3380  36.986  12.020  6.128208       12.09401  
1 1 1 -26 38  2  o 26.849  5.7486  419.940    162.131  418.948    169.499  430.612    555.938  26.754  5.9975  29.714  11.720  -2.959341      13.16563  
1 1 1 -26 38  3  o 37.422  4.5613  787.716    181.050  658.524    192.726  1758.05    528.181  33.901  5.4322  53.640  9.4358  -19.73905      10.88773  
1 1 1 -26 38  4  o 51.256  3.6529  1452.51    201.467  1479.15    215.759  1271.17    562.925  51.657  3.8847  44.176  11.612  7.481026       12.24471  
1 1 1 -26 38  5  f 61.867  3.6103  2112.71    240.869  2095.13    264.813  2196.91    579.675  61.478  3.9987  60.188  9.1830  1.290470       10.01584  
1 1 1 -26 38  6  o 58.069  6.6049  1946.64    408.025  1946.64    408.025  0.0000     0.0000   58.069  6.6049  ?       ?       0.000000       6.604912  
1 1 1 -26 38  7  o 17.554  7.1010  94.074     209.347  94.074     209.347  0.0000     0.0000   17.554  7.1010  ?       ?       0.000000       7.101015  
1 1 1 -26 38  8  o 35.958  6.6312  761.694    248.741  761.694    248.741  0.0000     0.0000   35.958  6.6312  ?       ?       0.000000       6.631165  
1 1 1 -26 38  9  o 23.561  7.1978  328.097    200.596  432.374    219.777  -192.2954  490.970  26.757  7.3555  20.933  9.5902  5.823885       12.08621  
1 1 1 -26 38  10 o 33.698  5.8533  664.474    205.882  564.687    224.665  1187.51    514.357  30.587  6.9407  42.013  11.127  -11.42675      13.11421  
1 1 1 -26 38  11 o 25.904  7.1502  409.598    207.187  430.016    242.257  353.991    399.787  26.414  7.8746  25.802  10.008  0.6121387      12.73456  
1 1 1 -26 38  12 o 80.436  3.4161  3584.93    297.615  3662.86    345.910  3362.81    583.962  81.002  3.9427  74.697  7.3117  6.305664       8.306968  
1 1 1 -26 38  13 o 32.707  6.4415  648.005    220.072  839.834    260.050  163.976    413.081  37.196  6.7014  22.624  9.6260  14.57259       11.72895  
1 1 1 -26 38  14 o 67.587  3.7198  2557.94    271.258  2688.20    316.870  2200.64    524.794  68.939  4.2646  58.844  8.4789  10.09568       9.490997  
1 1 1 -26 38  15 o 29.869  7.0132  557.461    223.011  705.171    263.961  189.075    416.857  33.407  7.4812  22.781  9.6810  10.62554       12.23475  
1 1 1 -26 38  16 o 29.604  7.7858  567.126    252.978  779.512    318.700  205.356    415.944  34.244  8.6036  22.809  9.6807  11.43427       12.95137  
1 1 1 -26 38  17 o 30.492  9.2495  645.338    332.113  645.338    332.113  0.0000     0.0000   30.492  9.2495  ?       ?       0.000000       9.249545  
1 1 1 -26 38  18 o 32.603  9.2368  748.717    341.042  748.717    341.042  0.0000     0.0000   32.603  9.2368  ?       ?       0.000000       9.236838  
1 1 1 -26 38  19 o 23.349  8.9608  342.230    317.978  342.230    317.978  0.0000     0.0000   23.349  8.9608  ?       ?       0.000000       8.960772  
1 1 1 -26 38  20 o 17.828  8.1478  -56.6864   351.440  -56.6864   351.440  0.0000     0.0000   17.828  8.1478  ?       ?       0.000000       8.147838  
1 1 1 -26 39  1  o 23.404  5.5611  319.796    138.885  297.054    143.575  650.894    547.833  22.527  5.8370  32.874  11.927  -10.34632      13.27846  
1 1 1 -26 39  2  o 40.250  4.1893  905.435    179.959  921.929    189.322  750.955    579.397  40.562  4.3788  34.677  12.303  5.884670       13.05921  
1 1 1 -26 39  3  o 66.788  3.3056  2448.36    239.123  2578.95    260.548  1750.90    602.153  68.396  3.5292  52.408  10.961  15.98787       11.51479  
1 1 1 -26 39  4  o 33.773  5.1540  651.143    182.556  760.559    194.475  -160.3092  529.609  36.590  5.0410  22.296  10.117  14.29340       11.30317  
1 1 1 -26 39  5  o 66.605  4.3139  2468.85    309.535  2468.85    309.535  0.0000     0.0000   66.605  4.3139  ?       ?       0.000000       4.313931  
1 1 1 -26 39  6  o 86.476  5.9739  4255.29    556.101  4255.29    556.101  0.0000     0.0000   86.476  5.9739  ?       ?       0.000000       5.973904  
1 1 1 -26 39  7  o 31.962  8.9342  633.282    321.302  633.282    321.302  0.0000     0.0000   31.962  8.9342  ?       ?       0.000000       8.934248  
1 1 1 -26 39  8  o 26.781  6.4213  426.526    183.850  472.685    198.065  139.139    494.213  28.155  6.6084  24.558  10.491  3.596699       12.39882  
1 1 1 -26 39  9  o 29.234  1.4096  464.271    44.633   252.599    216.639  473.654    45.611   21.469  7.5321  29.527  1.4262  -8.058109      7.665927  
1 1 1 -26 39  10 o 30.458  6.1926  551.321    197.331  424.317    225.714  963.204    406.476  26.340  7.5327  38.491  9.7416  -12.15115      12.31421  
1 1 1 -26 39  11 f 54.968  4.0199  1694.04    237.670  1825.97    275.649  1311.77    469.206  56.830  4.5154  44.617  9.9614  12.21316       10.93705  
1 1 1 -26 39  12 o 30.590  6.2031  562.987    198.488  643.106    226.284  295.639    413.355  32.527  6.6475  24.638  9.9741  7.889011       11.98638  
1 1 1 -26 39  13 o 24.908  1.5269  338.945    40.994   305.316    238.629  339.968    41.613   22.698  7.9084  24.942  1.5480  -2.244522      8.058449  
1 1 1 -26 39  14 o 14.994  6.5578  -5.3094    202.334  -41.2271   236.983  91.291     388.643  15.544  6.9329  21.103  9.1610  -5.558530      11.48864  
1 1 1 -26 39  15 o 38.297  6.6047  894.943    264.064  780.925    332.036  1091.16    435.581  34.217  8.8816  39.542  10.126  -5.324558      13.46938  
1 1 1 -26 39  16 o 32.252  8.9194  703.760    322.048  703.760    322.048  0.0000     0.0000   32.252  8.9194  ?       ?       0.000000       8.919445  
1 1 1 -26 39  17 o 28.284  9.2465  552.453    326.113  552.453    326.113  0.0000     0.0000   28.284  9.2465  ?       ?       0.000000       9.246525  
1 1 1 -26 39  18 o 17.438  7.8825  -40.1677   317.957  -40.1677   317.957  0.0000     0.0000   17.438  7.8825  ?       ?       0.000000       7.882534  
1 1 1 -26 39  19 o 31.641  9.6513  736.176    360.863  736.176    360.863  0.0000     0.0000   31.641  9.6513  ?       ?       0.000000       9.651303  
1 1 1 -26 39  20 o 23.172  9.0812  333.995    331.798  333.995    331.798  0.0000     0.0000   23.172  9.0812  ?       ?       0.000000       9.081203  
1 1 1 -26 40  1  o 11.849  5.0796  -0.3939    116.604  -21.7601   119.499  424.610    532.966  11.485  5.0309  29.157  11.484  -17.67231      12.53719  
1 1 1 -26 40  2  o 47.954  3.6013  1272.89    185.683  1249.78    195.310  1490.15    598.818  47.446  3.8334  47.611  11.697  -0.1650887     12.30867  
1 1 1 -26 40  3  o 38.286  4.4490  824.025    181.049  782.425    192.494  1142.98    533.012  37.149  4.9039  41.765  11.444  -4.615952      12.45039  
1 1 1 -26 40  4  o 17.599  6.7655  129.216    181.451  129.216    181.451  0.0000     0.0000   17.599  6.7655  ?       ?       0.000000       6.765476  
1 1 1 -26 40  5  o 61.533  4.2435  2108.30    281.086  2108.30    281.086  0.0000     0.0000   61.533  4.2435  ?       ?       0.000000       4.243498  
1 1 1 -26 40  6  o 45.123  5.1144  1154.70    245.543  1154.70    245.543  0.0000     0.0000   45.123  5.1144  ?       ?       0.000000       5.114426  
1 1 1 -26 40  7  o 15.908  6.9512  -18.8744   226.913  -153.1703  257.905  441.335    477.426  15.047  6.9146  28.602  10.979  -13.55569      12.97515  
1 1 1 -26 40  8  o 39.006  5.1419  869.804    211.936  888.675    232.564  777.358    514.728  39.233  5.6346  34.365  11.627  4.867928       12.92031  
1 1 1 -26 40  9  o 57.032  3.7534  1809.44    230.555  1833.40    263.518  1731.25    476.081  57.181  4.2860  52.980  8.5907  4.201298       9.600558  
1 1 1 -26 40  10 o 47.637  4.3300  1279.41    220.971  1309.74    253.955  1184.86    448.363  47.911  4.9660  42.523  9.9171  5.387386       11.09099  
1 1 1 -26 40  11 o 14.575  6.2995  4.7519     182.174  127.554    206.928  -418.3806  384.109  17.940  7.1268  16.078  7.7042  1.861570       10.49508  
1 1 1 -26 40  12 o 59.792  3.9653  2008.51    255.341  2038.67    297.607  1924.37    497.080  59.856  4.6265  55.074  8.6155  4.782188       9.779154  
1 1 1 -26 40  13 o 84.877  3.4523  4003.90    317.375  4237.14    370.598  3362.26    614.664  86.982  3.9337  73.738  7.8153  13.24463       8.749494  
1 1 1 -26 40  14 o 23.131  7.4551  329.088    212.405  329.213    248.773  328.752    408.016  23.305  8.0773  24.804  9.9557  -1.498753      12.82019  
1 1 1 -26 40  15 o 25.556  8.1298  419.498    253.222  627.364    322.026  82.741     409.881  30.479  9.0773  21.200  9.3012  9.278461       12.99649  
1 1 1 -26 40  16 o 27.638  9.0939  514.719    315.246  514.719    315.246  0.0000     0.0000   27.638  9.0939  ?       ?       0.000000       9.093862  
1 1 1 -26 40  17 o 32.022  9.1354  712.982    332.397  712.982    332.397  0.0000     0.0000   32.022  9.1354  ?       ?       0.000000       9.135405  
1 1 1 -26 40  18 o 18.896  8.2638  67.352     321.296  67.352     321.296  0.0000     0.0000   18.896  8.2638  ?       ?       0.000000       8.263842  
1 1 1 -26 40  19 o 21.141  8.9205  197.805    349.887  197.805    349.887  0.0000     0.0000   21.141  8.9205  ?       ?       0.000000       8.920484  
1 1 1 -26 40  20 o 21.646  9.0751  227.715    358.384  227.715    358.384  0.0000     0.0000   21.646  9.0751  ?       ?       0.000000       9.075055  
1 1 1 -26 41  1  o 37.235  3.8099  773.057    151.486  778.756    157.195  698.844    567.244  37.334  3.9473  33.508  12.139  3.826393       12.76500  
1 1 1 -26 41  2  o 53.630  3.3458  1586.80    193.382  1483.43    203.847  2516.74    611.400  51.753  3.6602  64.340  9.0215  -12.58689      9.735771  
1 1 1 -26 41  3  o 113.151 4.1172  7090.73    504.577  7090.73    504.577  0.0000     0.0000   113.151 4.1172  ?       ?       0.000000       4.117169  
1 1 1 -26 41  4  o 30.878  5.8967  556.247    190.020  556.247    190.020  0.0000     0.0000   30.878  5.8967  ?       ?       0.000000       5.896690  
1 1 1 -26 41  5  o 37.800  5.3233  817.703    211.905  817.703    211.905  0.0000     0.0000   37.800  5.3233  ?       ?       0.000000       5.323318  
1 1 1 -26 41  6  o 11.391  2.6278  73.770     31.760   12.484     175.905  75.835     32.291   14.655  6.2597  11.550  2.6390  3.105611       6.793217  
1 1 1 -26 41  7  o 29.613  10.203  538.167    396.687  522.102    652.240  547.598    499.739  31.171  12.561  30.367  11.326  0.8044033      16.91306  
1 1 1 -26 41  8  o 40.013  4.6830  908.437    199.116  922.622    219.431  842.294    473.833  40.134  5.1680  35.506  11.098  4.627930       12.24259  
1 1 1 -26 41  9  o 50.225  2.2986  1378.57    125.041  1338.64    255.138  1391.19    143.449  48.493  4.9261  50.315  2.6415  -1.821980      5.589621  
1 1 1 -26 41  10 o 3.1539  1.5918  -84.6328   25.737   129.893    213.862  -87.7854   25.926   18.202  7.2407  3.1287  1.5813  15.07348       7.411387  
1 1 1 -26 41  11 o 25.788  7.0505  410.471    202.573  349.648    233.658  594.539    406.475  23.952  7.8266  29.946  10.328  -5.993618      12.95841  
1 1 1 -26 41  12 o 51.689  2.4289  1465.38    135.980  1560.97    266.100  1431.60    158.194  52.239  4.7551  50.882  2.8824  1.357231       5.560505  
1 1 1 -26 41  13 f 52.696  4.4277  1579.37    250.366  1605.03    294.060  1511.74    477.342  52.641  5.2267  47.686  9.5748  4.954987       10.90845  
1 1 1 -26 41  14 o 22.185  7.4565  297.181    211.687  355.938    247.664  137.860    407.821  23.958  8.0653  21.983  9.4635  1.975588       12.43407  
1 1 1 -26 41  15 o 29.434  9.2133  586.736    326.414  586.736    326.414  0.0000     0.0000   29.434  9.2133  ?       ?       0.000000       9.213310  
1 1 1 -26 41  16 o 25.547  9.0245  426.608    311.410  426.608    311.410  0.0000     0.0000   25.547  9.0245  ?       ?       0.000000       9.024498  
1 1 1 -26 41  17 f 16.082  7.4376  -134.9983  305.279  -134.9983  305.279  0.0000     0.0000   16.082  7.4376  ?       ?       0.000000       7.437602  
1 1 1 -26 41  18 o 24.574  9.2039  395.877    330.676  395.877    330.676  0.0000     0.0000   24.574  9.2039  ?       ?       0.000000       9.203918  
1 1 1 -26 41  19 o 24.805  9.8186  400.984    391.453  400.984    391.453  0.0000     0.0000   24.805  9.8186  ?       ?       0.000000       9.818638  
1 1 1 -26 42  1  o 14.210  5.8115  49.624     142.059  40.039     147.175  180.352    543.525  14.167  5.8671  25.885  11.028  -11.71824      12.49189  
1 1 1 -26 42  2  o 15.498  5.7537  109.736    128.666  125.072    132.305  -157.6195  552.401  16.105  5.8584  22.595  10.283  -6.489735      11.83474  
1 1 1 -26 42  3  o 13.371  5.7978  -10.0941   155.301  -10.0941   155.301  0.0000     0.0000   13.371  5.7978  ?       ?       0.000000       5.797812  
1 1 1 -26 42  4  o 64.530  4.0435  2315.87    281.187  2315.87    281.187  0.0000     0.0000   64.530  4.0435  ?       ?       0.000000       4.043545  
1 1 1 -26 42  5  o 14.479  6.1577  17.250     168.888  17.250     168.888  0.0000     0.0000   14.479  6.1577  ?       ?       0.000000       6.157682  
1 1 1 -26 42  6  o 50.240  3.8597  1405.50    208.423  1402.97    225.849  1419.99    541.112  50.068  4.2037  46.423  10.941  3.644794       11.72065  
1 1 1 -26 42  7  o 29.647  1.1311  476.972    36.322   42.712     223.320  488.772    36.812   16.807  7.1110  30.011  1.1325  -13.20494      7.200590  
1 1 1 -26 42  8  f 16.572  6.4915  108.328    169.477  116.824    189.338  74.085     380.110  17.343  6.8401  21.236  9.1392  -3.892992      11.41537  
1 1 1 -26 42  9  o 53.694  3.8543  1611.33    222.661  1632.89    253.298  1538.03    467.055  53.812  4.3841  49.209  9.0981  4.602116       10.09924  
1 1 1 -26 42  10 o 24.016  7.1329  352.313    199.046  426.594    229.794  129.125    398.324  26.195  7.6327  22.078  9.4246  4.116747       12.12768  
1 1 1 -26 42  11 o 12.861  5.9100  -109.2588  188.389  0.8014     215.926  -460.0964  385.516  15.613  6.8029  15.737  7.5862  -0.1237411     10.18966  
1 1 1 -26 42  12 o 19.807  7.2681  209.654    204.276  232.676    238.276  145.809    396.804  20.911  7.8166  22.092  9.4178  -1.180443      12.23910  
1 1 1 -26 42  13 o 40.935  6.3446  1006.57    272.198  1097.87    344.689  855.286    443.677  41.707  7.9201  34.706  10.722  7.000294       13.32970  
1 1 1 -26 42  14 o 39.348  2.2104  850.908    93.820   1009.32    320.491  836.060    98.118   39.981  7.6802  38.969  2.3354  1.011799       8.027423  
1 1 1 -26 42  15 o 46.437  6.7319  1319.27    328.714  1319.27    328.714  0.0000     0.0000   46.437  6.7319  ?       ?       0.000000       6.731881  
1 1 1 -26 42  16 o 38.567  8.8168  1002.10    360.269  1002.10    360.269  0.0000     0.0000   38.567  8.8168  ?       ?       0.000000       8.816797  
1 1 1 -26 42  17 o 21.094  8.6420  210.854    314.824  210.854    314.824  0.0000     0.0000   21.094  8.6420  ?       ?       0.000000       8.642004  
1 1 1 -26 42  18 o 18.898  8.2555  73.947     319.844  73.947     319.844  0.0000     0.0000   18.898  8.2555  ?       ?       0.000000       8.255524  
1 1 1 -26 42  19 o 22.317  9.1197  270.953    349.452  270.953    349.452  0.0000     0.0000   22.317  9.1197  ?       ?       0.000000       9.119652  
1 1 1 -26 43  1  o 24.066  10.617  32.574     540.752  0.0000     0.0000   32.574     540.752  ?       ?       24.066  10.617  0.000000       10.61659  
1 1 1 -26 43  2  o 44.385  4.1432  1102.91    196.877  1102.91    196.877  0.0000     0.0000   44.385  4.1432  ?       ?       0.000000       4.143194  
1 1 1 -26 43  3  o 45.841  4.4921  1182.35    220.172  1182.35    220.172  0.0000     0.0000   45.841  4.4921  ?       ?       0.000000       4.492134  
1 1 1 -26 43  4  o 71.219  3.5182  2798.34    271.384  2798.34    271.384  0.0000     0.0000   71.219  3.5182  ?       ?       0.000000       3.518157  
1 1 1 -26 43  5  o 18.313  6.5443  172.859    164.214  163.144    172.425  267.637    538.564  18.201  6.6777  26.654  11.146  -8.453413      12.99349  
1 1 1 -26 43  6  o 44.366  4.1095  1103.49    195.231  1121.18    210.044  991.213    529.249  44.612  4.4045  38.063  11.702  6.548847       12.50339  
1 1 1 -26 43  7  o 20.194  7.1272  220.895    194.194  230.743    224.812  191.946    385.439  20.945  7.6340  23.053  9.5168  -2.107609      12.20026  
1 1 1 -26 43  8  o 17.603  6.9822  119.384    198.329  144.855    232.184  50.643     381.431  19.015  7.5507  20.861  9.0657  -1.845659      11.79832  
1 1 1 -26 43  9  o 33.221  5.5749  647.354    193.489  742.467    218.685  304.483    415.208  35.476  5.8984  24.984  10.038  10.49231       11.64247  
1 1 1 -26 43  10 f 61.130  2.5846  2051.51    171.131  2122.41    277.724  2008.12    217.283  61.371  4.2035  60.118  3.3503  1.252808       5.375264  
1 1 1 -26 43  11 o 67.363  2.8020  2498.72    204.434  2801.00    312.006  2271.33    270.616  70.552  4.1007  63.599  3.9481  6.953255       5.692371  
1 1 1 -26 43  12 o 26.044  7.1580  422.834    208.159  483.016    240.596  243.688    415.105  27.605  7.7364  23.721  9.8412  3.884039       12.51804  
1 1 1 -26 43  13 o 69.359  4.1534  2717.63    310.584  2692.40    377.413  2770.56    546.663  68.296  5.1398  66.839  7.6915  1.456604       9.250800  
1 1 1 -26 43  14 o 53.294  6.0855  1692.81    344.977  1692.81    344.977  0.0000     0.0000   53.294  6.0855  ?       ?       0.000000       6.085503  
1 1 1 -26 43  15 o 23.269  8.6000  325.386    286.816  325.386    286.816  0.0000     0.0000   23.269  8.6000  ?       ?       0.000000       8.599969  
1 1 1 -26 43  16 o 21.976  8.9368  240.424    333.539  240.424    333.539  0.0000     0.0000   21.976  8.9368  ?       ?       0.000000       8.936753  
1 1 1 -26 43  17 o 27.253  9.1749  514.406    320.498  514.406    320.498  0.0000     0.0000   27.253  9.1749  ?       ?       0.000000       9.174855  
1 1 1 -26 43  18 o 27.061  9.7695  522.144    366.924  522.144    366.924  0.0000     0.0000   27.061  9.7695  ?       ?       0.000000       9.769548  
1 1 1 -26 43  19 o 21.033  8.8717  193.100    345.867  193.100    345.867  0.0000     0.0000   21.033  8.8717  ?       ?       0.000000       8.871671  
1 1 1 -26 44  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 44  2  o 19.285  6.8550  195.893    179.950  195.893    179.950  0.0000     0.0000   19.285  6.8550  ?       ?       0.000000       6.855019  
1 1 1 -26 44  3  o 17.512  6.2947  155.540    152.139  155.540    152.139  0.0000     0.0000   17.512  6.2947  ?       ?       0.000000       6.294711  
1 1 1 -26 44  4  o 45.162  3.9707  1140.51    192.251  1118.94    204.091  1310.42    572.780  44.618  4.2756  43.673  11.820  0.9453239      12.56988  
1 1 1 -26 44  5  o 37.457  4.5657  796.134    181.399  834.219    191.655  468.589    562.056  38.296  4.7204  29.395  11.724  8.901423       12.63871  
1 1 1 -26 44  6  o 108.297 3.0804  6454.11    361.320  6573.85    411.177  6048.24    757.022  109.057 3.4810  101.431 6.9323  7.626152       7.757203  
1 1 1 -26 44  7  o 74.331  2.6992  3031.23    217.309  3244.52    296.428  2783.42    319.513  76.529  3.5762  70.469  4.2054  6.060837       5.520366  
1 1 1 -26 44  8  o 12.912  5.9337  -113.3556  189.916  -144.5922  220.950  -24.9979   371.607  13.681  6.3275  19.605  8.7169  -5.923565      10.77137  
1 1 1 -26 44  9  o 55.079  3.6461  1693.73    216.284  1664.51    242.967  1805.27    474.713  54.357  4.1584  53.623  8.4535  0.7337112      9.420901  
1 1 1 -26 44  10 o 44.082  4.5255  1107.53    213.008  1100.81    242.494  1130.20    445.701  43.587  5.2417  40.801  10.132  2.785324       11.40744  
1 1 1 -26 44  11 o 43.619  4.4767  1084.45    208.499  1095.64    235.504  1043.91    448.430  43.536  5.0905  38.825  10.438  4.711052       11.61334  
1 1 1 -26 44  12 o 51.453  4.3083  1502.29    237.888  1602.22    275.857  1212.35    469.862  52.816  4.8773  41.812  10.414  11.00403       11.49978  
1 1 1 -26 44  13 o 45.715  2.3214  1149.00    114.563  1230.63    272.944  1131.54    126.219  45.723  5.6304  45.284  2.5841  0.4389610      6.195127  
1 1 1 -26 44  14 o 31.330  8.1034  639.621    277.043  639.621    277.043  0.0000     0.0000   31.330  8.1034  ?       ?       0.000000       8.103418  
1 1 1 -26 44  15 o 23.847  8.6627  353.336    289.137  353.336    289.137  0.0000     0.0000   23.847  8.6627  ?       ?       0.000000       8.662685  
1 1 1 -26 44  16 o 33.287  9.2708  773.875    346.624  773.875    346.624  0.0000     0.0000   33.287  9.2708  ?       ?       0.000000       9.270841  
1 1 1 -26 44  17 o 29.216  9.1269  599.577    320.497  599.577    320.497  0.0000     0.0000   29.216  9.1269  ?       ?       0.000000       9.126888  
1 1 1 -26 44  18 o 23.945  9.4577  355.216    362.471  355.216    362.471  0.0000     0.0000   23.945  9.4577  ?       ?       0.000000       9.457708  
1 1 1 -26 44  19 o 15.440  7.3402  -265.3588  334.447  -265.3588  334.447  0.0000     0.0000   15.440  7.3402  ?       ?       0.000000       7.340237  
1 1 1 -26 45  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 45  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 45  3  o 11.310  5.0493  -42.4691   126.051  -56.8482   129.568  211.673    544.717  11.199  5.0497  25.858  11.029  -14.65911      12.13024  
1 1 1 -26 45  4  o 21.686  6.1048  278.941    149.466  226.632    155.595  903.953    537.841  19.862  6.3785  36.184  11.877  -16.32226      13.48128  
1 1 1 -26 45  5  o 15.547  6.1116  91.662     150.692  139.064    158.447  -357.3547  487.659  17.110  6.3784  19.217  9.0536  -2.106924      11.07479  
1 1 1 -26 45  6  o 18.405  6.4387  182.555    158.256  207.379    173.496  59.583     386.149  19.424  6.7446  21.070  9.1390  -1.645504      11.35835  
1 1 1 -26 45  7  o 49.778  3.8403  1386.76    205.450  1514.03    230.924  903.505    449.981  51.889  4.1434  36.362  10.705  15.52678       11.47925  
1 1 1 -26 45  8  o 14.710  6.4097  -5.7139    191.701  -3.3774    221.950  -12.5763   380.374  15.779  6.8855  19.878  8.8296  -4.098665      11.19699  
1 1 1 -26 45  9  o 50.260  3.9734  1420.52    214.538  1553.57    242.738  945.627    458.596  52.404  4.3150  36.796  10.800  15.60784       11.63020  
1 1 1 -26 45  10 o 64.385  3.5892  2312.67    249.299  2362.33    284.363  2147.70    518.245  64.806  4.0720  58.402  8.4375  6.403538       9.368711  
1 1 1 -26 45  11 o 45.958  4.2752  1198.42    210.369  1218.48    237.414  1125.13    453.846  46.060  4.8309  40.387  10.333  5.673035       11.40646  
1 1 1 -26 45  12 o 56.462  4.4385  1813.56    269.247  1961.99    322.447  1471.73    489.337  58.257  5.1638  46.560  10.002  11.69662       11.25602  
1 1 1 -26 45  13 o 53.509  5.8105  1690.88    331.342  1690.88    331.342  0.0000     0.0000   53.509  5.8105  ?       ?       0.000000       5.810549  
1 1 1 -26 45  14 o 60.635  5.4806  2155.88    356.044  2155.88    356.044  0.0000     0.0000   60.635  5.4806  ?       ?       0.000000       5.480643  
1 1 1 -26 45  15 f 34.367  8.8872  802.366    333.273  802.366    333.273  0.0000     0.0000   34.367  8.8872  ?       ?       0.000000       8.887241  
1 1 1 -26 45  16 o 44.640  7.1445  1254.14    333.787  1254.14    333.787  0.0000     0.0000   44.640  7.1445  ?       ?       0.000000       7.144495  
1 1 1 -26 45  17 o 23.493  8.9271  345.727    313.650  345.727    313.650  0.0000     0.0000   23.493  8.9271  ?       ?       0.000000       8.927126  
1 1 1 -26 45  18 o 22.425  9.2256  265.336    360.631  265.336    360.631  0.0000     0.0000   22.425  9.2256  ?       ?       0.000000       9.225637  
1 1 1 -26 46  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 46  2  o 16.982  7.8859  -214.0852  348.315  -338.6682  444.185  -15.1454   561.300  18.325  8.6356  23.560  10.577  -5.235422      13.65464  
1 1 1 -26 46  3  o 26.086  4.8653  394.992    132.408  393.978    136.232  412.277    562.722  26.001  5.0192  28.367  11.580  -2.365587      12.62099  
1 1 1 -26 46  4  o 35.768  1.3021  694.968    50.443   334.256    163.627  732.849    53.026   23.590  6.2892  36.727  1.3330  -13.13694      6.428945  
1 1 1 -26 46  5  o 43.848  4.0267  1080.52    189.098  1155.74    202.540  569.550    527.871  45.299  4.1751  30.220  11.558  15.07893       12.28876  
1 1 1 -26 46  6  o 61.305  3.4055  2086.41    225.234  2199.01    248.087  1558.29    537.268  62.823  3.6618  48.119  10.595  14.70389       11.21025  
1 1 1 -26 46  7  o 28.563  1.8036  446.417    55.511   538.973    194.178  438.180    57.928   29.966  6.1877  28.281  1.9022  1.685349       6.473467  
1 1 1 -26 46  8  o 37.424  7.5225  867.713    294.343  1065.33    406.303  649.458    426.995  40.171  9.4894  31.033  10.589  9.138063       14.21911  
1 1 1 -26 46  9  o 14.658  6.2183  29.682     171.499  -5.8764    190.919  178.275    390.280  14.649  6.3895  22.515  9.4565  -7.865655      11.41273  
1 1 1 -26 46  10 o 37.341  5.1585  810.445    203.061  775.804    229.767  934.016    433.961  36.050  6.1023  36.693  10.428  -0.6434631     12.08214  
1 1 1 -26 46  11 o 43.055  5.1811  1076.01    236.759  1016.86    278.626  1229.69    449.084  41.099  6.4735  42.598  9.9186  -1.499699      11.84421  
1 1 1 -26 46  12 o 21.757  8.1162  262.839    256.636  262.839    256.636  0.0000     0.0000   21.757  8.1162  ?       ?       0.000000       8.116230  
1 1 1 -26 46  13 o 18.701  7.6151  135.149    242.588  135.149    242.588  0.0000     0.0000   18.701  7.6151  ?       ?       0.000000       7.615133  
1 1 1 -26 46  14 o 27.992  8.2703  516.969    268.131  516.969    268.131  0.0000     0.0000   27.992  8.2703  ?       ?       0.000000       8.270259  
1 1 1 -26 46  15 o 41.674  7.2031  1092.45    313.369  1092.45    313.369  0.0000     0.0000   41.674  7.2031  ?       ?       0.000000       7.203064  
1 1 1 -26 46  16 o 21.913  8.5696  268.596    294.985  268.596    294.985  0.0000     0.0000   21.913  8.5696  ?       ?       0.000000       8.569554  
1 1 1 -26 46  17 o 21.581  8.6503  249.398    307.577  249.398    307.577  0.0000     0.0000   21.581  8.6503  ?       ?       0.000000       8.650296  
1 1 1 -26 46  18 o 37.855  8.5997  977.544    344.569  977.544    344.569  0.0000     0.0000   37.855  8.5997  ?       ?       0.000000       8.599692  
1 1 1 -26 47  1  o 28.139  9.8297  499.089    368.776  439.481    478.434  586.346    578.852  27.760  10.897  30.578  11.992  -2.817842      16.20320  
1 1 1 -26 47  2  o 27.006  9.7949  441.604    369.447  653.838    474.674  115.476    588.413  31.371  11.135  25.101  11.074  6.270031       15.70423  
1 1 1 -26 47  3  o 12.359  5.4157  -18.8595   138.592  -45.1229   145.117  253.648    467.447  12.127  5.4157  24.985  10.411  -12.85809      11.73508  
1 1 1 -26 47  4  o 14.265  5.8257  55.728     142.489  63.889     149.279  -27.9051   477.871  14.717  5.9812  21.792  9.7729  -7.074452      11.45793  
1 1 1 -26 47  5  o 21.870  6.4088  286.785    161.599  290.250    170.929  257.622    495.892  22.003  6.6270  25.334  10.651  -3.331017      12.54429  
1 1 1 -26 47  6  o 50.315  3.8444  1418.79    207.921  1345.32    228.150  1778.85    505.075  48.751  4.3671  52.630  9.1950  -3.879295      10.17943  
1 1 1 -26 47  7  o 41.691  4.2403  984.621    188.805  1075.89    209.808  595.981    432.936  43.470  4.5224  30.012  10.636  13.45786       11.55799  
1 1 1 -26 47  8  o 41.192  5.3895  987.469    234.687  1111.23    278.341  683.106    436.502  43.331  6.0996  31.622  10.707  11.70872       12.32252  
1 1 1 -26 47  9  f 53.332  3.8843  1597.17    222.834  1625.23    252.684  1499.01    472.609  53.537  4.3965  47.785  9.4662  5.752529       10.43733  
1 1 1 -26 47  10 o 60.716  4.1673  2080.50    272.392  2234.07    323.964  1710.02    503.190  62.506  4.8225  51.024  9.4533  11.48184       10.61230  
1 1 1 -26 47  11 o 40.497  5.4414  960.857    232.635  1207.52    272.811  303.487    445.367  45.315  5.6834  24.895  10.248  20.42043       11.71862  
1 1 1 -26 47  12 o 19.679  7.6020  190.930    229.939  190.930    229.939  0.0000     0.0000   19.679  7.6020  ?       ?       0.000000       7.601979  
1 1 1 -26 47  13 o 17.952  7.6557  70.698     262.375  70.698     262.375  0.0000     0.0000   17.952  7.6557  ?       ?       0.000000       7.655729  
1 1 1 -26 47  14 o 24.913  8.2664  400.371    260.287  400.371    260.287  0.0000     0.0000   24.913  8.2664  ?       ?       0.000000       8.266429  
1 1 1 -26 47  15 o 20.517  8.2180  205.456    277.381  205.456    277.381  0.0000     0.0000   20.517  8.2180  ?       ?       0.000000       8.218019  
1 1 1 -26 47  16 o 22.208  8.5879  286.142    293.688  286.142    293.688  0.0000     0.0000   22.208  8.5879  ?       ?       0.000000       8.587907  
1 1 1 -26 47  17 o 26.615  9.0937  488.948    314.902  488.948    314.902  0.0000     0.0000   26.615  9.0937  ?       ?       0.000000       9.093743  
1 1 1 -26 48  1  o 25.730  9.7191  382.219    370.382  719.486    483.427  -97.1360   576.333  32.341  11.257  22.788  10.422  9.553257       15.34061  
1 1 1 -26 48  2  o 30.814  8.8992  614.980    313.628  576.125    410.744  669.309    485.691  29.687  10.374  31.473  11.254  -1.786001      15.30578  
1 1 1 -26 48  3  o 43.935  7.2599  1175.01    333.404  1242.05    433.662  1078.10    521.370  43.603  9.4549  38.893  11.543  4.710583       14.92061  
1 1 1 -26 48  4  o 17.115  6.0832  154.046    141.707  133.850    148.123  372.139    486.747  16.621  6.1728  26.721  10.821  -10.10036      12.45813  
1 1 1 -26 48  5  o 15.782  6.1137  104.636    149.048  98.350     156.484  166.100    489.335  15.827  6.2260  24.026  10.355  -8.198830      12.08224  
1 1 1 -26 48  6  o 31.583  5.4957  586.918    181.167  559.402    193.397  784.068    517.676  30.573  6.0546  33.329  11.646  -2.756727      13.12593  
1 1 1 -26 48  7  o 43.492  2.0896  1033.62    98.435   1047.52    211.888  1029.80    111.158  42.821  4.6429  43.291  2.3798  -0.4703064     5.217314  
1 1 1 -26 48  8  o 31.198  6.7227  594.703    220.463  541.177    259.133  734.979    419.501  29.188  7.9717  32.705  10.470  -3.516880      13.15961  
1 1 1 -26 48  9  o 28.440  6.5803  494.852    198.674  519.035    226.498  414.160    413.731  28.843  7.2566  26.484  10.207  2.358442       12.52325  
1 1 1 -26 48  10 o 45.481  4.7909  1188.19    232.454  1107.56    270.090  1418.53    456.514  43.264  5.9191  46.319  9.4204  -3.055267      11.12560  
1 1 1 -26 48  11 o 54.882  5.1691  1745.03    303.648  1745.03    303.648  0.0000     0.0000   54.882  5.1691  ?       ?       0.000000       5.169101  
1 1 1 -26 48  12 o 39.716  6.8042  967.396    282.165  967.396    282.165  0.0000     0.0000   39.716  6.8042  ?       ?       0.000000       6.804162  
1 1 1 -26 48  13 o 22.980  8.0114  324.620    244.906  324.620    244.906  0.0000     0.0000   22.980  8.0114  ?       ?       0.000000       8.011422  
1 1 1 -26 48  14 o 27.206  8.7445  495.800    292.387  495.800    292.387  0.0000     0.0000   27.206  8.7445  ?       ?       0.000000       8.744491  
1 1 1 -26 48  15 o 22.473  8.7862  285.773    310.032  285.773    310.032  0.0000     0.0000   22.473  8.7862  ?       ?       0.000000       8.786227  
1 1 1 -26 48  16 o 29.880  8.7802  617.490    302.943  617.490    302.943  0.0000     0.0000   29.880  8.7802  ?       ?       0.000000       8.780173  
1 1 1 -26 48  17 o 24.362  8.9412  387.562    309.171  387.562    309.171  0.0000     0.0000   24.362  8.9412  ?       ?       0.000000       8.941245  
1 1 1 -26 49  1  o 31.638  9.3534  661.122    342.869  506.997    420.251  967.953    592.955  28.295  10.418  36.092  12.472  -7.796320      16.25132  
1 1 1 -26 49  2  o 25.578  8.9813  399.635    308.054  606.313    406.043  119.345    472.857  30.204  10.326  23.175  10.083  7.028341       14.43234  
1 1 1 -26 49  3  o 17.615  7.7995  -22.4710   294.515  199.045    376.992  -369.3958  471.788  22.662  9.3883  18.535  8.7841  4.127405       12.85691  
1 1 1 -26 49  4  o 21.341  8.5534  198.993    300.700  72.874     381.127  406.947    489.400  20.933  9.0797  27.167  10.904  -6.233030      14.18908  
1 1 1 -26 49  5  o 66.375  2.3937  2413.92    172.088  2323.03    243.778  2504.19    242.962  64.602  3.4970  67.237  3.3363  -2.635406      4.833217  
1 1 1 -26 49  6  o 37.991  4.6121  825.960    185.889  876.243    198.498  467.447    530.026  39.064  4.7919  28.340  11.357  10.72387       12.32648  
1 1 1 -26 49  7  o 31.033  5.5486  568.622    179.652  626.623    199.579  320.899    412.457  32.450  5.8955  25.000  10.018  7.450167       11.62441  
1 1 1 -26 49  8  f 28.029  6.0313  472.968    177.672  557.319    196.901  103.287    412.207  30.411  6.1883  21.842  9.4582  8.569263       11.30278  
1 1 1 -26 49  9  o 73.675  4.7992  3099.20    380.872  3364.64    516.611  2783.12    563.739  75.313  6.3936  66.940  7.9296  8.373848       10.18607  
1 1 1 -26 49  10 o 39.586  6.1912  938.651    256.756  938.651    256.756  0.0000     0.0000   39.586  6.1912  ?       ?       0.000000       6.191241  
1 1 1 -26 49  11 o 29.814  8.0968  575.411    268.217  575.411    268.217  0.0000     0.0000   29.814  8.0968  ?       ?       0.000000       8.096837  
1 1 1 -26 49  12 o 22.687  8.1170  308.111    252.698  308.111    252.698  0.0000     0.0000   22.687  8.1170  ?       ?       0.000000       8.117028  
1 1 1 -26 49  13 o 21.450  8.3980  241.111    283.530  241.111    283.530  0.0000     0.0000   21.450  8.3980  ?       ?       0.000000       8.397958  
1 1 1 -26 49  14 o 26.059  8.2856  447.638    263.047  447.638    263.047  0.0000     0.0000   26.059  8.2856  ?       ?       0.000000       8.285595  
1 1 1 -26 49  15 o 31.811  8.9806  701.185    322.975  701.185    322.975  0.0000     0.0000   31.811  8.9806  ?       ?       0.000000       8.980615  
1 1 1 -26 49  16 o 46.626  7.3621  1382.95    359.456  1382.95    359.456  0.0000     0.0000   46.626  7.3621  ?       ?       0.000000       7.362128  
1 1 1 -26 49  17 o 55.091  6.1562  1846.30    361.054  1846.30    361.054  0.0000     0.0000   55.091  6.1562  ?       ?       0.000000       6.156211  
1 1 1 -26 50  1  o 50.647  6.5574  1530.30    351.268  1798.65    472.243  1197.94    525.560  53.458  8.4358  40.955  11.419  12.50289       14.19696  
1 1 1 -26 50  2  o 23.109  8.8137  285.970    306.439  502.895    401.350  -17.2650   474.523  28.141  10.209  21.680  9.7297  6.460886       14.10260  
1 1 1 -26 50  3  o 19.891  8.3075  119.896    298.644  275.770    383.192  -121.2598  476.627  23.956  9.6366  20.705  9.4725  3.250797       13.51267  
1 1 1 -26 50  4  o 31.846  8.8524  659.973    316.358  311.917    402.507  1222.45    511.686  24.788  9.9098  41.694  11.125  -16.90645      14.89831  
1 1 1 -26 50  5  o 20.358  8.3974  146.663    299.776  145.960    376.057  147.889    496.504  21.821  9.2300  23.843  10.352  -2.021091      13.86951  
1 1 1 -26 50  6  o 25.421  6.1278  391.004    166.747  396.651    176.419  343.703    510.616  25.519  6.3955  26.412  10.933  -0.8931961     12.66586  
1 1 1 -26 50  7  o 31.777  2.0919  554.240    71.596   773.392    232.587  531.300    75.250   35.961  6.1951  31.076  2.2509  4.884417       6.591373  
1 1 1 -26 50  8  o 28.160  2.5605  438.995    77.243   926.376    217.883  368.935    82.608   39.947  5.1561  25.679  3.0284  14.26862       5.979696  
1 1 1 -26 50  9  o 21.200  8.4778  205.628    294.680  205.628    294.680  0.0000     0.0000   21.200  8.4778  ?       ?       0.000000       8.477773  
1 1 1 -26 50  10 o 12.223  5.7939  -207.4390  205.408  -207.4390  205.408  0.0000     0.0000   12.223  5.7939  ?       ?       0.000000       5.793867  
1 1 1 -26 50  11 o 46.953  5.6278  1298.76    280.497  1298.76    280.497  0.0000     0.0000   46.953  5.6278  ?       ?       0.000000       5.627784  
1 1 1 -26 50  12 o 19.590  7.7919  176.443    247.625  176.443    247.625  0.0000     0.0000   19.590  7.7919  ?       ?       0.000000       7.791851  
1 1 1 -26 50  13 o 31.945  8.0566  669.636    278.715  669.636    278.715  0.0000     0.0000   31.945  8.0566  ?       ?       0.000000       8.056582  
1 1 1 -26 50  14 o 19.358  8.0305  143.461    276.374  143.461    276.374  0.0000     0.0000   19.358  8.0305  ?       ?       0.000000       8.030488  
1 1 1 -26 50  15 o 21.367  8.2919  254.044    274.542  254.044    274.542  0.0000     0.0000   21.367  8.2919  ?       ?       0.000000       8.291903  
1 1 1 -26 50  16 f 21.985  8.8368  257.889    321.958  257.889    321.958  0.0000     0.0000   21.985  8.8368  ?       ?       0.000000       8.836819  
1 1 1 -26 51  1  o 24.395  8.9492  348.285    309.670  157.624    411.486  597.294    470.253  22.564  9.6042  29.971  11.023  -7.406944      14.62013  
1 1 1 -26 51  2  o 47.197  6.9965  1349.18    346.829  1389.42    461.335  1296.88    525.978  45.887  9.5911  42.813  11.211  3.074360       14.75352  
1 1 1 -26 51  3  o 43.986  7.3685  1187.08    338.627  1397.62    443.298  892.107    524.712  46.418  9.1426  35.116  11.740  11.30198       14.87990  
1 1 1 -26 51  4  o 19.563  8.2396  103.205    297.633  153.988    376.836  18.992     485.270  21.932  9.2561  22.215  9.9135  -0.2828598     13.56296  
1 1 1 -26 51  5  o 25.335  8.9803  391.254    308.623  312.287    388.438  526.445    508.245  24.569  9.7631  28.979  11.272  -4.410009      14.91217  
1 1 1 -26 51  6  o 36.291  11.884  967.867    538.600  0.0000     0.0000   967.867    538.600  ?       ?       36.291  11.884  0.000000       11.88395  
1 1 1 -26 51  7  o 27.801  10.301  490.955    411.977  0.0000     0.0000   490.955    411.977  ?       ?       27.801  10.301  0.000000       10.30060  
1 1 1 -26 51  8  o 33.953  6.7581  705.831    239.787  705.831    239.787  0.0000     0.0000   33.953  6.7581  ?       ?       0.000000       6.758122  
1 1 1 -26 51  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 51  10 o 29.074  7.3970  535.095    233.496  535.095    233.496  0.0000     0.0000   29.074  7.3970  ?       ?       0.000000       7.396999  
1 1 1 -26 51  11 o 16.322  7.0201  35.722     224.018  35.722     224.018  0.0000     0.0000   16.322  7.0201  ?       ?       0.000000       7.020097  
1 1 1 -26 51  12 o 48.508  5.3544  1381.37    276.626  1381.37    276.626  0.0000     0.0000   48.508  5.3544  ?       ?       0.000000       5.354437  
1 1 1 -26 51  13 o 15.254  6.7910  -27.6311   226.259  -27.6311   226.259  0.0000     0.0000   15.254  6.7910  ?       ?       0.000000       6.790983  
1 1 1 -26 51  14 o 25.227  8.2934  418.527    262.210  418.527    262.210  0.0000     0.0000   25.227  8.2934  ?       ?       0.000000       8.293373  
1 1 1 -26 51  15 f 19.662  8.0170  171.341    269.320  171.341    269.320  0.0000     0.0000   19.662  8.0170  ?       ?       0.000000       8.017040  
1 1 1 -26 51  16 o 20.424  8.3921  188.864    297.969  188.864    297.969  0.0000     0.0000   20.424  8.3921  ?       ?       0.000000       8.392097  
1 1 1 -26 52  1  o 30.802  9.0111  623.796    319.719  549.272    427.083  718.806    482.224  28.959  10.527  32.049  11.238  -3.090378      15.39828  
1 1 1 -26 52  2  f 20.065  8.3871  125.873    304.734  164.035    397.686  71.596     474.279  22.400  9.4840  22.549  9.9452  -0.1492405     13.74239  
1 1 1 -26 52  3  o 62.328  3.1551  2153.48    212.303  2132.88    228.315  2285.04    577.078  61.905  3.4184  59.424  9.2686  2.481712       9.878887  
1 1 1 -26 52  4  o 61.319  9.2943  2434.88    597.937  0.0000     0.0000   2434.88    597.937  ?       ?       61.319  9.2943  0.000000       9.294333  
1 1 1 -26 52  5  o 26.441  10.897  357.551    504.217  0.0000     0.0000   357.551    504.217  ?       ?       26.441  10.897  0.000000       10.89680  
1 1 1 -26 52  6  f 52.392  10.622  1881.63    582.151  0.0000     0.0000   1881.63    582.151  ?       ?       52.392  10.622  0.000000       10.62241  
1 1 1 -26 52  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 52  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 52  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 52  10 o 33.278  9.7956  768.564    376.783  768.564    376.783  0.0000     0.0000   33.278  9.7956  ?       ?       0.000000       9.795649  
1 1 1 -26 52  11 o 20.986  7.6941  250.048    228.853  250.048    228.853  0.0000     0.0000   20.986  7.6941  ?       ?       0.000000       7.694099  
1 1 1 -26 52  12 o 15.873  7.0037  -7.7785    235.441  -7.7785    235.441  0.0000     0.0000   15.873  7.0037  ?       ?       0.000000       7.003659  
1 1 1 -26 52  13 o 15.949  7.2135  -62.4495   266.703  -62.4495   266.703  0.0000     0.0000   15.949  7.2135  ?       ?       0.000000       7.213473  
1 1 1 -26 52  14 o 14.602  6.8252  -172.4100  267.795  -172.4100  267.795  0.0000     0.0000   14.602  6.8252  ?       ?       0.000000       6.825223  
1 1 1 -26 52  15 o 23.450  8.8137  339.899    303.747  339.899    303.747  0.0000     0.0000   23.450  8.8137  ?       ?       0.000000       8.813680  
1 1 1 -26 53  1  o 34.397  9.6163  799.041    372.202  0.0000     0.0000   799.041    372.202  ?       ?       34.397  9.6163  0.000000       9.616320  
1 1 1 -26 53  2  o 57.999  9.3855  2194.75    569.444  0.0000     0.0000   2194.75    569.444  ?       ?       57.999  9.3855  0.000000       9.385486  
1 1 1 -26 53  3  o 28.173  11.075  486.746    494.873  0.0000     0.0000   486.746    494.873  ?       ?       28.173  11.075  0.000000       11.07521  
1 1 1 -26 53  4  o 28.108  1.8220  432.710    55.168   0.0000     0.0000   432.710    55.168   ?       ?       28.108  1.8220  0.000000       1.821976  
1 1 1 -26 53  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 53  13 o 19.063  8.4061  42.198     338.669  42.198     338.669  0.0000     0.0000   19.063  8.4061  ?       ?       0.000000       8.406094  
1 1 1 -26 53  14 o 13.293  6.2860  -208.9052  239.076  -208.9052  239.076  0.0000     0.0000   13.293  6.2860  ?       ?       0.000000       6.285969  
1 1 1 -26 53  15 o 20.633  8.1303  222.195    267.281  222.195    267.281  0.0000     0.0000   20.633  8.1303  ?       ?       0.000000       8.130279  
1 1 1 -26 54  1  o 28.647  10.983  532.104    477.418  0.0000     0.0000   532.104    477.418  ?       ?       28.647  10.983  0.000000       10.98314  
1 1 1 -26 54  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 54  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 55  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 56  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 57  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 58  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 59  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 60  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 61  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 62  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 63  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 64  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 64  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 64  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 64  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -26 64  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 0   1  o 43.807  5.7500  1100.94    259.794  1100.94    259.794  1100.94    259.794  43.807  5.7500  43.807  5.7500  -0.000000      0.000000  
1 1 1 -25 0   2  o 32.784  8.6426  699.943    265.143  699.943    265.143  699.943    265.143  32.784  8.6426  32.784  8.6426  0.000000       0.000000  
1 1 1 -25 0   3  o 91.547  4.5900  4600.36    452.505  4600.36    452.505  4600.36    452.505  91.547  4.5900  91.547  4.5900  -0.000000      0.000000  
1 1 1 -25 0   4  o 85.557  4.8934  4030.49    450.063  4030.49    450.063  4030.49    450.063  85.557  4.8934  85.557  4.8934  0.000000       0.000000  
1 1 1 -25 0   5  o 64.048  5.3267  2285.62    363.637  2285.62    363.637  2285.62    363.637  64.048  5.3267  64.048  5.3267  0.000000       0.000000  
1 1 1 -25 0   6  o 19.823  10.110  322.165    273.300  322.165    273.300  322.165    273.300  19.823  10.110  19.823  10.110  0.000000       0.000000  
1 1 1 -25 0   7  o 19.541  10.846  298.398    338.328  298.398    338.328  298.398    338.328  19.541  10.846  19.541  10.846  0.000000       0.000000  
1 1 1 -25 0   8  o 57.933  5.5219  1884.26    339.255  1884.26    339.255  1884.26    339.255  57.933  5.5219  57.933  5.5219  -0.000000      0.000000  
1 1 1 -25 0   9  o 29.627  9.9553  625.361    285.323  625.361    285.323  625.361    285.323  29.627  9.9553  29.627  9.9553  0.000000       0.000000  
1 1 1 -25 0   10 o 34.894  9.1348  795.443    298.302  795.443    298.302  795.443    298.302  34.894  9.1348  34.894  9.1348  -0.000000      0.000000  
1 1 1 -25 0   11 o 11.249  7.5020  -72.9048   248.780  -72.9048   248.780  -72.9048   248.780  11.249  7.5020  11.249  7.5020  -0.000000      0.000000  
1 1 1 -25 0   12 o 60.740  5.6625  2074.86    365.084  2074.86    365.084  2074.86    365.084  60.740  5.6625  60.740  5.6625  0.000000       0.000000  
1 1 1 -25 0   13 o 70.065  4.1525  2706.38    312.591  2706.38    312.591  2706.38    312.591  70.065  4.1525  70.065  4.1525  -0.000000      0.000000  
1 1 1 -25 0   14 o 77.330  4.5846  3304.94    380.900  3304.94    380.900  3304.94    380.900  77.330  4.5846  77.330  4.5846  0.000000       0.000000  
1 1 1 -25 0   15 o 47.062  6.4893  1289.65    312.861  1289.65    312.861  1289.65    312.861  47.062  6.4893  47.062  6.4893  -0.000000      0.000000  
1 1 1 -25 0   16 o 62.069  5.4924  2169.89    362.593  2169.89    362.593  2169.89    362.593  62.069  5.4924  62.069  5.4924  0.000000       0.000000  
1 1 1 -25 0   17 o 12.522  8.3987  -98.4271   319.569  -98.4271   319.569  -98.4271   319.569  12.522  8.3987  12.522  8.3987  0.000000       0.000000  
1 1 1 -25 0   18 o 21.364  10.741  392.562    305.936  392.562    305.936  392.562    305.936  21.364  10.741  21.364  10.741  0.000000       0.000000  
1 1 1 -25 0   19 o 42.467  9.2703  1156.75    373.489  1156.75    373.489  1156.75    373.489  42.467  9.2703  42.467  9.2703  0.000000       0.000000  
1 1 1 -25 0   20 o 12.281  8.2577  -89.2263   312.582  -89.2263   312.582  -89.2263   312.582  12.281  8.2577  12.281  8.2577  -0.000000      0.000000  
1 1 1 -25 0   21 o 17.636  10.297  259.003    327.004  259.003    327.004  259.003    327.004  17.636  10.297  17.636  10.297  0.000000       0.000000  
1 1 1 -25 0   22 o 20.978  11.072  413.295    335.641  413.295    335.641  413.295    335.641  20.978  11.072  20.978  11.072  -0.000000      0.000000  
1 1 1 -25 0   23 o 16.892  10.317  217.831    358.035  217.831    358.035  217.831    358.035  16.892  10.317  16.892  10.317  0.000000       0.000000  
1 1 1 -25 0   24 o 26.333  11.492  626.804    340.627  626.804    340.627  626.804    340.627  26.333  11.492  26.333  11.492  0.000000       0.000000  
1 1 1 -25 0   25 o 20.785  12.353  449.720    485.556  449.720    485.556  449.720    485.556  20.785  12.353  20.785  12.353  -0.000000      0.000000  
1 1 1 -25 0   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 1   1  o 46.904  3.9126  1210.26    196.953  1174.55    263.606  1255.38    296.324  45.876  5.4092  47.318  5.9109  -1.441463      8.012327  
1 1 1 -25 1   2  o 89.897  3.1844  4402.48    310.058  4570.02    438.620  4235.14    438.357  91.339  4.4336  87.768  4.6277  3.571732       6.408779  
1 1 1 -25 1   3  o 25.288  6.8609  367.651    192.698  497.004    281.659  253.829    264.210  29.318  8.4237  22.944  8.2891  6.373772       11.81813  
1 1 1 -25 1   4  o 31.740  6.0063  574.460    198.918  815.559    270.346  289.844    293.733  37.745  6.8659  24.307  8.7455  13.43794       11.11861  
1 1 1 -25 1   5  o 16.904  6.7726  81.528     188.437  52.969     276.068  106.440    257.845  19.109  7.9847  19.574  7.8939  -0.4646454     11.22806  
1 1 1 -25 1   6  o 24.467  7.2875  339.962    207.546  279.086    290.941  403.041    296.159  23.992  8.6936  26.980  8.8112  -2.988070      12.37803  
1 1 1 -25 1   7  o 35.932  5.7518  730.615    216.298  634.425    295.127  842.242    317.927  32.888  8.2883  38.017  7.9756  -5.129250      11.50240  
1 1 1 -25 1   8  o 27.771  6.4127  445.458    188.990  506.233    259.813  377.167    275.412  29.457  7.9560  26.078  8.4960  3.379688       11.63965  
1 1 1 -25 1   9  o 30.887  6.0510  546.749    195.191  429.064    267.331  681.129    285.664  27.348  8.2992  34.104  7.8903  -6.756147      11.45132  
1 1 1 -25 1   10 o 50.251  4.2010  1394.14    226.548  1471.12    312.473  1308.83    328.935  51.222  5.7305  48.045  6.4869  3.176762       8.655501  
1 1 1 -25 1   11 o 48.286  4.3367  1290.52    224.387  1377.85    323.018  1209.07    311.933  49.381  6.1744  46.136  6.4161  3.245502       8.904481  
1 1 1 -25 1   12 f 69.221  3.7177  2631.62    277.707  2775.09    398.168  2495.71    387.523  70.610  5.2438  66.889  5.3949  3.721039       7.523435  
1 1 1 -25 1   13 o 72.060  3.4437  2841.60    268.775  3029.63    316.383  2354.03    509.475  74.184  3.9519  63.992  7.4926  10.19202       8.470878  
1 1 1 -25 1   14 f 71.334  3.2757  2784.40    253.088  2927.08    357.315  2640.75    358.529  72.654  4.5639  68.896  4.8352  3.758057       6.648943  
1 1 1 -25 1   15 o 48.667  4.3387  1317.51    226.299  1018.71    310.897  1654.21    330.028  41.786  7.1250  54.083  5.7209  -12.29696      9.137537  
1 1 1 -25 1   16 o 61.972  3.9458  2125.16    263.475  2006.60    384.034  2230.58    362.150  59.363  6.0578  62.940  5.3636  -3.577339      8.091002  
1 1 1 -25 1   17 o 60.443  4.0637  2027.15    264.487  2053.87    385.952  2003.48    363.169  60.002  6.0200  59.402  5.7152  0.5997314      8.300818  
1 1 1 -25 1   18 o 20.935  7.4508  230.869    212.654  442.235    298.971  14.433     302.537  27.208  8.8514  18.764  8.1141  8.443939       12.00771  
1 1 1 -25 1   19 o 32.685  6.8089  640.431    233.216  613.448    331.610  666.839    328.053  31.136  9.1967  32.464  9.0111  -1.327585      12.87553  
1 1 1 -25 1   20 f 39.490  6.0844  922.589    251.885  670.502    370.657  1138.90    343.347  31.769  9.7973  42.981  7.6561  -11.21248      12.43392  
1 1 1 -25 1   21 o 17.701  7.4833  76.989     246.982  -5.5618    349.998  158.871    348.578  18.943  8.4388  21.183  8.9191  -2.240067      12.27854  
1 1 1 -25 1   22 o 16.663  7.2160  33.951     239.972  -405.9882  356.050  400.137    324.837  15.089  7.2781  25.032  9.1684  -9.943124      11.70599  
1 1 1 -25 1   23 o 25.872  7.8036  441.694    236.883  363.523    328.049  526.863    342.420  24.013  9.1285  27.425  9.4780  -3.411789      13.15912  
1 1 1 -25 1   24 o 37.854  6.4901  898.766    256.517  783.451    348.376  1035.32    379.110  32.830  9.3477  38.044  9.2826  -5.214294      13.17370  
1 1 1 -25 1   25 o 17.353  7.5697  63.233     268.053  -160.4453  325.762  532.234    471.710  15.966  7.4832  26.408  10.668  -10.44242      13.03052  
1 1 1 -25 1   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 2   1  o 37.700  4.8714  792.854    194.261  869.237    265.890  705.399    284.508  39.093  6.5084  34.838  7.7411  4.255680       10.11354  
1 1 1 -25 2   2  o 44.725  4.4876  1106.60    214.455  1148.05    301.460  1064.13    305.143  45.105  6.3463  43.289  6.7265  1.815887       9.247733  
1 1 1 -25 2   3  o 120.746 3.2318  7943.82    422.652  7827.65    582.782  8072.72    613.868  119.519 4.5019  121.321 4.6716  -1.801933      6.487817  
1 1 1 -25 2   4  o 87.932  3.1999  4212.55    304.759  4515.63    438.409  3929.14    423.945  90.784  4.4586  84.518  4.6491  6.265755       6.441514  
1 1 1 -25 2   5  o 65.416  3.6877  2343.61    260.216  2362.46    365.124  2324.16    370.945  65.322  5.2039  64.751  5.3368  0.5714111      7.454000  
1 1 1 -25 2   6  o 70.026  3.6374  2684.31    274.931  2967.41    387.154  2396.32    390.490  73.323  4.9032  65.679  5.5410  7.644264       7.398927  
1 1 1 -25 2   7  o 91.864  3.3031  4602.12    328.648  4389.06    472.796  4801.31    457.157  89.208  4.9122  93.549  4.5118  -4.341164      6.669811  
1 1 1 -25 2   8  o 99.336  3.1209  5378.44    335.780  5399.98    474.107  5356.75    475.625  99.217  4.4118  98.810  4.4442  0.4072113      6.262201  
1 1 1 -25 2   9  o 99.201  3.1431  5365.49    337.711  5761.32    476.547  4966.16    478.650  102.497 4.2926  95.059  4.6490  7.438232       6.327687  
1 1 1 -25 2   10 o 107.220 3.2443  6273.04    376.767  6510.06    549.437  6062.65    517.642  108.792 4.6628  105.025 4.5506  3.766479       6.515352  
1 1 1 -25 2   11 o 18.032  6.9414  126.945    191.189  24.211     267.877  233.613    272.959  18.269  7.7620  22.517  8.3762  -4.247684      11.41968  
1 1 1 -25 2   12 o 124.920 3.3024  8526.71    446.823  9031.26    635.587  8033.69    628.284  128.037 4.5832  120.656 4.8077  7.380989       6.642288  
1 1 1 -25 2   13 o 107.924 3.2690  6367.44    382.124  6358.72    448.866  6390.39    728.321  107.655 3.8496  106.581 6.3377  1.074043       7.415272  
1 1 1 -25 2   14 o 41.586  4.9690  971.484    219.380  1109.53    303.695  820.836    317.250  43.927  6.5862  37.126  8.1159  6.800297       10.45209  
1 1 1 -25 2   15 o 75.391  3.3977  3115.18    277.447  3029.77    383.196  3209.28    402.234  73.761  4.8231  75.881  4.9207  -2.119965      6.890225  
1 1 1 -25 2   16 o 19.981  7.3102  194.896    206.426  204.369    290.514  185.236    293.369  21.949  8.5263  21.628  8.5193  0.3205700      12.05306  
1 1 1 -25 2   17 o 38.866  5.5035  863.164    225.200  711.677    316.976  1017.56    320.008  34.107  8.5864  41.467  7.3962  -7.360619      11.33271  
1 1 1 -25 2   18 o 25.465  7.6377  386.780    227.392  64.935     336.809  656.354    308.247  20.403  8.6868  32.601  8.6040  -12.19858      12.22657  
1 1 1 -25 2   19 o 40.921  5.4705  964.389    236.395  691.589    337.826  1226.13    330.906  32.999  9.1388  45.462  6.9402  -12.46309      11.47538  
1 1 1 -25 2   20 o 21.258  7.7031  248.130    228.427  326.945    320.019  166.262    326.157  24.166  9.0538  21.275  8.7655  2.890566       12.60178  
1 1 1 -25 2   21 o 41.678  5.6362  1027.48    247.900  840.270    348.438  1219.38    352.768  35.354  9.0585  43.984  7.6847  -8.630230      11.87900  
1 1 1 -25 2   22 o 36.002  6.5477  798.797    245.918  733.565    346.834  864.745    348.733  32.509  9.3498  35.629  9.0263  -3.120331      12.99588  
1 1 1 -25 2   23 o 13.243  6.2040  -162.7451  223.457  -122.1910  307.996  -207.8166  324.697  16.248  7.4992  15.802  7.4272  0.4458227      10.55468  
1 1 1 -25 2   24 o 23.907  8.0638  381.117    247.579  396.943    359.642  366.862    341.335  24.446  9.4893  23.810  9.2440  0.6359558      13.24757  
1 1 1 -25 2   25 o 19.085  7.9348  164.139    270.686  -31.3083   327.569  584.952    480.654  17.380  7.9132  27.170  10.840  -9.789993      13.42127  
1 1 1 -25 2   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 3   1  o 35.696  4.9268  712.554    185.406  475.221    261.901  950.986    262.507  28.663  8.0854  41.042  6.0901  -12.37884      10.12241  
1 1 1 -25 3   2  o 66.268  3.4839  2401.62    249.178  2405.96    348.845  2397.11    356.047  66.013  4.9142  65.861  5.0293  0.1522217      7.031615  
1 1 1 -25 3   3  o 126.172 3.2221  8673.63    440.321  8590.75    613.958  8761.41    631.844  125.199 4.5276  126.407 4.6150  -1.208183      6.465052  
1 1 1 -25 3   4  o 98.855  3.1860  5324.04    341.132  5127.21    479.409  5525.91    485.517  96.704  4.5771  100.424 4.4637  -3.719635      6.393320  
1 1 1 -25 3   5  o 82.870  3.2859  3743.26    294.935  3942.77    405.836  3519.97    429.358  84.713  4.4386  79.877  4.9878  4.836273       6.676763  
1 1 1 -25 3   6  o 106.539 3.3284  6189.21    384.076  6124.45    547.793  6251.81    538.652  105.595 4.7896  106.728 4.6597  -1.132385      6.682325  
1 1 1 -25 3   7  o 74.961  3.5853  3068.24    291.090  3164.25    408.291  2968.99    415.120  75.673  5.0098  73.213  5.2703  2.460281       7.271445  
1 1 1 -25 3   8  o 34.989  5.5012  691.619    201.600  925.040    282.441  449.174    287.848  40.237  6.7176  28.021  8.6325  12.21634       10.93832  
1 1 1 -25 3   9  o 101.488 3.2308  5617.86    355.131  5880.14    508.537  5368.19    496.153  103.472 4.5376  98.835  4.6348  4.636726       6.486284  
1 1 1 -25 3   10 o 120.930 3.2560  7980.36    426.467  8320.92    612.545  7659.99    594.108  123.021 4.5972  118.014 4.6480  5.006554       6.537387  
1 1 1 -25 3   11 f 127.871 3.2887  8927.86    455.475  9046.73    651.979  8814.53    636.575  128.176 4.6963  126.544 4.6445  1.632683       6.605052  
1 1 1 -25 3   12 o 59.225  3.3956  1923.71    216.909  2040.16    278.881  1745.39    345.105  60.782  4.2632  55.728  5.8027  5.054382       7.200385  
1 1 1 -25 3   13 o 87.714  3.3907  4209.05    322.127  4179.56    382.492  4280.98    597.419  87.219  4.0489  87.146  6.3736  0.7264709E-01  7.550928  
1 1 1 -25 3   14 o 91.986  3.2687  4629.88    325.663  4671.74    382.880  4520.40    619.278  92.224  3.8331  89.376  6.4404  2.847755       7.494796  
1 1 1 -25 3   15 o 147.880 3.4155  11987.39   547.055  11682.28   766.995  12303.32   780.488  145.078 4.8811  148.915 4.8390  -3.837402      6.873239  
1 1 1 -25 3   16 o 76.944  3.4603  3250.49    288.377  3315.76    407.696  3185.13    407.957  77.040  4.9115  75.450  5.0208  1.590355       7.023646  
1 1 1 -25 3   17 o 31.759  6.5956  594.041    219.461  557.218    308.501  631.767    312.263  30.234  8.8536  32.111  8.7429  -1.877409      12.44285  
1 1 1 -25 3   18 o 25.427  7.4547  386.054    218.598  368.652    310.721  403.108    307.593  25.567  9.0163  26.325  8.9876  -0.7577095     12.73074  
1 1 1 -25 3   19 o 16.977  7.0782  62.844     216.264  278.610    308.820  -144.7997  302.952  23.393  8.8656  16.519  7.5553  6.874466       11.64823  
1 1 1 -25 3   20 o 41.575  5.5937  1008.59    245.494  1065.39    342.913  948.881    351.613  41.339  7.9473  38.501  8.6436  2.837730       11.74188  
1 1 1 -25 3   21 o 29.812  7.3888  564.344    237.375  529.757    331.137  600.904    340.455  28.130  9.3234  29.730  9.4234  -1.600126      13.25616  
1 1 1 -25 3   22 o 17.197  7.2274  81.526     228.217  -272.9433  316.704  464.404    329.150  15.107  7.1705  26.413  9.2832  -11.30539      11.73006  
1 1 1 -25 3   23 o 22.564  7.8506  321.012    235.117  -25.0909   323.518  708.442    342.289  17.764  7.9977  31.589  9.3473  -13.82469      12.30181  
1 1 1 -25 3   24 o 19.955  7.6987  222.923    235.590  -6.9555    324.773  478.228    342.263  17.809  8.0161  25.997  9.4278  -8.187109      12.37501  
1 1 1 -25 3   25 o 20.135  8.1193  219.103    272.750  272.510    330.355  104.743    483.413  21.727  8.8713  21.335  9.6748  0.3914394      13.12639  
1 1 1 -25 3   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 4   1  o 50.509  4.0690  1403.90    220.713  1607.54    312.253  1200.57    312.017  53.753  5.4382  46.113  6.4214  7.639389       8.414745  
1 1 1 -25 4   2  o 52.505  4.0606  1516.18    229.126  1341.12    304.980  1743.03    347.172  48.942  5.8705  55.894  5.8200  -6.952583      8.266510  
1 1 1 -25 4   3  o 97.563  3.1573  5184.98    333.630  5312.88    461.125  5044.49    483.305  98.508  4.3219  95.905  4.6528  2.603180       6.350368  
1 1 1 -25 4   4  o 58.752  4.1105  1897.03    259.923  1851.86    359.406  1946.55    376.354  57.620  5.8396  59.052  5.9661  -1.431988      8.348406  
1 1 1 -25 4   5  o 45.128  4.5540  1127.56    219.546  1084.83    296.664  1179.29    326.438  43.778  6.4498  45.570  6.8238  -1.791191      9.389571  
1 1 1 -25 4   6  o 71.540  3.4748  2792.48    269.246  2995.91    367.440  2556.58    395.669  73.750  4.6234  67.884  5.4268  5.865700       7.129177  
1 1 1 -25 4   7  o 63.875  3.8618  2238.69    265.914  2382.67    371.247  2087.00    381.063  65.545  5.2741  61.155  5.8233  4.389565       7.856634  
1 1 1 -25 4   8  o 74.686  3.3992  3044.01    274.969  3071.36    390.315  3017.07    387.430  74.574  4.8589  73.907  4.8672  0.6671600      6.877372  
1 1 1 -25 4   9  o 85.479  3.3954  3988.33    314.351  3647.71    441.810  4337.56    447.361  81.213  5.0477  88.714  4.6723  -7.500595      6.878188  
1 1 1 -25 4   10 f 23.620  7.0609  317.627    194.582  309.404    270.063  326.505    280.600  24.269  8.4156  24.835  8.5801  -0.5656223     12.01828  
1 1 1 -25 4   11 o 23.492  6.9092  315.780    187.518  399.162    259.894  225.237    270.823  26.430  8.2126  22.284  8.3327  4.145903       11.69965  
1 1 1 -25 4   12 o 21.300  6.9332  249.147    183.425  371.721    227.147  19.414     310.971  25.404  7.6368  19.433  8.3121  5.971083       11.28771  
1 1 1 -25 4   13 o 32.888  5.8091  619.563    199.361  409.605    237.977  1113.67    365.073  26.503  7.7803  43.528  8.0397  -17.02536      11.18795  
1 1 1 -25 4   14 o 16.317  6.7490  52.745     194.382  2.1142     231.986  172.064    356.128  16.624  7.1467  22.894  9.2616  -6.270376      11.69837  
1 1 1 -25 4   15 o 27.906  6.9074  459.346    207.653  450.534    268.037  472.574    328.404  27.606  8.2951  28.439  9.2781  -0.8328629     12.44551  
1 1 1 -25 4   16 o 141.479 3.4077  10985.35   522.191  11372.81   737.431  10595.67   739.552  143.055 4.7593  137.937 4.9501  5.117981       6.866961  
1 1 1 -25 4   17 o 76.530  3.4912  3219.37    289.384  3172.47    407.750  3266.97    410.769  75.221  5.0339  76.358  4.9943  -1.136963      7.091035  
1 1 1 -25 4   18 o 22.257  7.5708  276.733    218.248  322.536    313.673  233.750    303.859  24.591  9.0090  22.607  8.7373  1.983347       12.54997  
1 1 1 -25 4   19 o 58.691  4.1465  1925.91    261.891  2116.52    373.593  1741.73    367.230  60.687  5.7524  54.686  6.3162  6.001400       8.543078  
1 1 1 -25 4   20 o 51.033  4.8257  1487.39    263.570  1490.65    385.628  1484.54    361.072  49.431  7.4329  49.707  6.8921  -0.2765884     10.13648  
1 1 1 -25 4   21 o 17.653  7.3022  100.657    227.579  157.605    318.508  41.259     325.288  20.617  8.5924  18.998  8.3117  1.618515       11.95467  
1 1 1 -25 4   22 o 40.800  5.9453  1001.11    255.002  1056.71    363.801  947.408    357.536  39.827  8.6790  37.419  8.9435  2.407478       12.46236  
1 1 1 -25 4   23 o 23.992  7.8604  374.391    235.622  540.772    323.744  186.998    343.579  27.824  9.2186  21.088  8.8656  6.736589       12.78987  
1 1 1 -25 4   24 o 23.932  7.9203  381.456    239.003  443.962    326.934  309.708    350.273  25.296  9.2080  22.846  9.2051  2.449631       13.02005  
1 1 1 -25 4   25 o 23.680  8.4831  384.368    276.090  173.024    335.386  828.678    486.287  20.201  8.6363  31.052  11.241  -10.85091      14.17579  
1 1 1 -25 4   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 5   1  o 112.218 3.1528  6860.22    383.207  6811.03    541.725  6909.48    542.149  111.479 4.4866  112.290 4.4576  -0.8113480     6.324558  
1 1 1 -25 5   2  o 56.395  3.6209  1742.64    220.003  1761.92    291.535  1717.14    335.297  56.457  4.8136  55.517  5.6551  0.9406242      7.426384  
1 1 1 -25 5   3  o 98.577  3.2084  5294.47    342.556  5404.41    479.502  5179.88    489.549  99.316  4.4576  97.181  4.6510  2.134888       6.442167  
1 1 1 -25 5   4  o 59.609  3.8170  1948.71    245.143  1803.19    337.825  2110.56    356.280  56.928  5.5495  61.674  5.3877  -4.745678      7.734567  
1 1 1 -25 5   5  o 116.919 3.2870  7451.57    416.255  7525.13    591.773  7379.54    585.622  117.108 4.6655  115.971 4.6623  1.137337       6.595724  
1 1 1 -25 5   6  o 61.386  3.7626  2066.28    248.956  2137.20    337.938  1982.11    368.154  62.128  5.0662  59.619  5.7737  2.508614       7.681226  
1 1 1 -25 5   7  o 105.829 3.2838  6107.60    376.402  6369.22    526.139  5833.34    538.710  107.743 4.5086  103.012 4.8283  4.730179       6.606083  
1 1 1 -25 5   8  f 27.845  6.6761  449.023    198.738  243.734    264.901  713.341    300.583  22.659  8.2824  34.880  8.1100  -12.22095      11.59181  
1 1 1 -25 5   9  o 89.598  3.3012  4380.16    320.357  4043.91    449.374  4727.66    456.826  85.585  4.8679  92.775  4.5462  -7.189827      6.660662  
1 1 1 -25 5   10 o 44.302  4.4922  1088.96    212.571  1145.02    295.303  1028.67    306.237  44.963  6.2313  42.364  6.9125  2.598984       9.306549  
1 1 1 -25 5   11 o 84.992  2.9270  3937.74    269.449  3697.05    335.858  4372.44    451.365  82.176  3.7735  88.986  4.6998  -6.809227      6.027215  
1 1 1 -25 5   12 o 50.130  4.2243  1390.39    227.227  1362.46    281.206  1442.92    385.705  49.308  5.3514  50.059  7.3311  -0.7514763     9.076477  
1 1 1 -25 5   13 o 31.831  5.9092  582.315    196.229  645.537    234.273  433.677    359.213  33.316  6.7240  28.017  9.7062  5.298845       11.80778  
1 1 1 -25 5   14 o 36.942  5.9604  781.803    230.369  648.451    272.147  1118.90    432.695  33.040  7.7405  42.865  9.5629  -9.825069      12.30300  
1 1 1 -25 5   15 o 40.238  4.9262  911.401    210.207  660.670    279.653  1237.07    318.719  33.244  7.8858  46.378  6.5254  -13.13354      10.23556  
1 1 1 -25 5   16 o 50.310  4.4741  1412.72    241.254  1306.54    316.765  1559.38    372.291  47.686  6.2863  51.929  6.7810  -4.243279      9.246601  
1 1 1 -25 5   17 o 70.668  3.7137  2757.63    283.253  2614.10    408.660  2890.35    392.962  67.971  5.6008  71.756  5.0892  -3.784836      7.567636  
1 1 1 -25 5   18 o 47.701  4.9095  1285.31    250.029  1401.09    371.282  1189.22    338.216  48.705  7.2600  44.833  7.2094  3.871433       10.23147  
1 1 1 -25 5   19 o 31.634  6.8526  602.021    228.000  822.719    325.025  388.206    319.917  36.327  8.4243  25.833  9.1446  10.49408       12.43356  
1 1 1 -25 5   20 o 16.497  7.0072  44.035     218.205  -70.0281   310.884  154.791    306.344  17.441  7.8471  20.673  8.5036  -3.232220      11.57102  
1 1 1 -25 5   21 o 16.732  7.1182  54.896     225.838  -138.1847  310.792  270.907    328.729  16.393  7.5544  22.738  8.9985  -6.345484      11.74912  
1 1 1 -25 5   22 o 26.816  7.6915  466.610    235.004  497.467    322.399  431.628    343.274  27.154  9.2017  25.745  9.4256  1.409010       13.17246  
1 1 1 -25 5   23 o 20.104  7.6633  222.983    231.584  48.708     317.407  421.356    338.642  18.589  8.1696  25.207  9.3390  -6.617661      12.40801  
1 1 1 -25 5   24 o 34.995  6.7821  780.245    247.779  756.602    339.611  807.155    362.313  32.340  9.2367  33.108  9.5660  -0.7681580     13.29759  
1 1 1 -25 5   25 o 17.675  8.0461  -24.7214   338.513  -24.7214   338.513  0.0000     0.0000   17.675  8.0461  ?       ?       0.000000       8.046137  
1 1 1 -25 5   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 6   1  o 72.069  3.4504  2832.88    269.334  3029.48    371.640  2615.39    390.878  74.174  4.6494  68.726  5.2918  5.448029       7.044182  
1 1 1 -25 6   2  o 40.791  4.5212  922.751    196.388  1004.69    255.580  804.622    306.871  42.301  5.7255  37.220  7.8588  5.081184       9.723242  
1 1 1 -25 6   3  o 105.839 3.2330  6104.01    370.611  5908.61    526.641  6295.72    521.642  103.779 4.6853  107.180 4.4935  -3.400940      6.491795  
1 1 1 -25 6   4  o 74.190  3.3451  3000.76    268.798  2990.11    363.659  3013.58    399.081  73.708  4.5779  73.879  5.0171  -0.1713791     6.791726  
1 1 1 -25 6   5  o 168.112 3.5990  15426.15   655.318  15078.63   923.930  15777.96   929.615  165.527 5.1535  169.367 5.0676  -3.839584      7.227647  
1 1 1 -25 6   6  o 71.024  3.6067  2761.04    276.540  2714.73    385.192  2810.30    397.260  70.051  5.1122  71.259  5.1827  -1.208023      7.279701  
1 1 1 -25 6   7  o 39.124  5.1676  857.084    213.617  917.144    280.387  773.994    329.792  40.081  6.6950  36.273  8.5364  3.807518       10.84867  
1 1 1 -25 6   8  o 99.191  3.1633  5363.92    339.845  5032.50    461.125  5757.96    502.802  95.768  4.4456  102.412 4.5329  -6.643951      6.349063  
1 1 1 -25 6   9  o 72.105  3.4200  2838.44    267.090  2870.52    364.966  2801.45    391.918  72.110  4.6986  71.106  5.1232  1.003700       6.951522  
1 1 1 -25 6   10 o 120.424 3.2615  7914.50    425.410  8009.90    589.881  7811.10    614.091  120.725 4.5113  119.119 4.7597  1.606026       6.557937  
1 1 1 -25 6   11 o 44.589  4.1353  1099.86    197.440  1066.23    233.008  1185.51    371.807  43.680  5.0162  45.147  7.8909  -1.467319      9.350266  
1 1 1 -25 6   12 o 44.163  4.6389  1086.28    218.578  984.296    271.247  1275.13    369.124  41.557  6.2173  46.930  7.5156  -5.372974      9.753922  
1 1 1 -25 6   13 o 46.835  4.2546  1216.64    213.473  1183.59    259.021  1286.61    376.914  45.890  5.3093  47.005  7.6678  -1.114433      9.326501  
1 1 1 -25 6   14 o 55.688  3.9421  1713.08    236.235  1493.07    292.384  2126.73    400.917  51.550  5.3127  61.282  6.1221  -9.731838      8.105877  
1 1 1 -25 6   15 o 27.778  7.0353  455.968    211.893  428.083    243.972  541.582    427.493  26.920  7.8705  30.561  10.589  -3.640396      13.19327  
1 1 1 -25 6   16 o 63.629  3.8155  2237.18    261.740  1777.83    347.399  2840.28    398.063  55.940  5.8188  71.138  5.2024  -15.19734      7.805372  
1 1 1 -25 6   17 o 41.467  5.2330  976.139    229.798  1091.11    324.086  859.890    325.889  43.056  7.2041  37.689  8.2153  5.367188       10.92660  
1 1 1 -25 6   18 f 19.417  7.5009  161.622    223.873  -139.8997  334.854  405.333    301.047  17.634  8.0179  26.311  8.8919  -8.676456      11.97301  
1 1 1 -25 6   19 o 43.998  5.1392  1106.25    240.294  1320.23    341.738  896.990    337.948  47.203  6.8871  37.949  8.4402  9.253979       10.89358  
1 1 1 -25 6   20 o 22.788  7.8183  306.264    232.793  432.661    318.184  160.675    341.487  26.385  9.1354  21.443  8.9135  4.942198       12.76346  
1 1 1 -25 6   21 o 40.450  5.6961  970.898    242.647  935.529    330.442  1012.29    357.457  37.956  8.2717  39.228  8.6461  -1.272213      11.96557  
1 1 1 -25 6   22 o 16.449  7.0659  43.571     226.446  -261.8051  309.015  397.746    332.791  14.988  7.1049  25.008  9.2595  -10.02026      11.67123  
1 1 1 -25 6   23 o 51.532  4.7943  1546.88    264.523  1748.81    364.814  1323.02    384.114  53.382  6.4398  44.771  8.2243  8.610760       10.44558  
1 1 1 -25 6   24 o 39.214  6.1135  949.681    251.186  1169.50    345.723  703.896    365.569  41.978  7.8936  30.682  9.7690  11.29654       12.55954  
1 1 1 -25 6   25 o 27.276  9.8198  568.141    370.382  568.141    370.382  0.0000     0.0000   27.276  9.8198  ?       ?       0.000000       9.819783  
1 1 1 -25 6   26 f 17.297  8.3287  -330.7178  461.598  -330.7178  461.598  0.0000     0.0000   17.297  8.3287  ?       ?       0.000000       8.328696  
1 1 1 -25 7   1  o 98.704  3.2046  5308.78    342.595  5488.03    476.487  5116.94    492.935  100.086 4.3955  96.559  4.7133  3.526306       6.444832  
1 1 1 -25 7   2  o 25.135  6.5810  363.728    181.270  454.707    232.842  223.751    288.814  28.022  7.5165  22.757  8.5857  5.264963       11.41105  
1 1 1 -25 7   3  o 59.363  3.9150  1934.02    250.305  1888.34    354.143  1979.61    353.825  58.229  5.6879  59.674  5.5374  -1.445332      7.938201  
1 1 1 -25 7   4  o 91.561  3.1786  4567.71    315.225  4650.74    431.369  4472.57    461.772  92.153  4.3218  90.148  4.7461  2.005096       6.418975  
1 1 1 -25 7   5  o 65.574  3.6738  2355.13    259.874  2151.20    358.953  2579.76    376.724  62.257  5.3760  68.286  5.1311  -6.029011      7.431688  
1 1 1 -25 7   6  o 25.438  7.0269  372.646    200.015  219.885    265.134  574.409    304.705  22.143  8.2516  31.331  8.6802  -9.187801      11.97645  
1 1 1 -25 7   7  o 40.937  4.9445  934.688    214.794  926.276    281.321  946.447    332.610  40.286  6.6815  40.366  7.8904  -0.8063889E-01 10.33929  
1 1 1 -25 7   8  o 41.722  4.8550  969.852    215.293  869.982    277.465  1120.95    341.290  38.958  6.8244  44.160  7.3972  -5.201706      10.06438  
1 1 1 -25 7   9  o 19.701  6.9113  194.983    182.397  96.133     242.032  324.911    277.483  18.855  7.6325  24.776  8.5338  -5.921129      11.44912  
1 1 1 -25 7   10 o 80.711  3.2713  3555.49    285.971  3562.20    398.693  3548.39    410.410  80.358  4.5999  80.153  4.7486  0.2045898      6.611223  
1 1 1 -25 7   11 o 39.506  4.9039  873.367    205.321  825.359    250.413  971.851    358.659  37.997  6.3057  40.591  8.4334  -2.593594      10.53017  
1 1 1 -25 7   12 o 96.879  3.1799  5125.83    333.666  5310.25    395.526  4670.66    621.388  98.458  3.7090  91.153  6.3332  7.304909       7.339371  
1 1 1 -25 7   13 o 80.511  2.9072  3537.16    253.512  3425.81    351.259  3658.21    366.250  78.828  4.1285  81.452  4.1655  -2.623657      5.864766  
1 1 1 -25 7   14 o 16.574  6.8389  57.782     198.914  -3.7771    228.521  250.251    404.073  16.400  7.0719  25.121  9.9655  -8.721071      12.21978  
1 1 1 -25 7   15 o 88.770  3.3591  4318.57    322.966  4352.92    375.103  4220.13    635.018  88.942  3.8938  85.910  6.8823  3.031975       7.907481  
1 1 1 -25 7   16 o 137.795 3.3825  10419.85   504.825  10207.80   712.269  10633.90   715.602  135.443 4.8553  138.301 4.7772  -2.856934      6.811459  
1 1 1 -25 7   17 o 41.262  5.4466  970.304    237.469  624.597    321.680  1384.32    352.031  31.887  8.9488  48.772  6.8531  -16.88519      11.27148  
1 1 1 -25 7   18 f 18.544  7.2749  135.547    213.116  294.634    303.253  -19.6941   299.565  23.833  8.8361  18.160  7.9599  5.672581       11.89270  
1 1 1 -25 7   19 o 24.845  7.7700  371.502    232.214  405.360    344.305  343.250    314.513  26.378  9.4708  24.782  9.0299  1.595942       13.08567  
1 1 1 -25 7   20 o 30.265  7.3178  569.249    237.237  719.427    321.214  389.017    351.889  33.294  8.7813  25.655  9.5169  7.639406       12.94928  
1 1 1 -25 7   21 o 19.858  7.5362  205.974    223.345  28.694     305.767  408.753    327.018  18.359  8.0446  25.426  9.2163  -7.067425      12.23336  
1 1 1 -25 7   22 o 50.046  4.8380  1452.54    258.975  1239.49    355.032  1694.81    378.593  44.067  7.7198  52.476  6.8224  -8.408432      10.30244  
1 1 1 -25 7   23 o 30.054  7.4832  589.623    242.653  521.396    331.137  668.746    356.601  27.336  9.3253  30.469  9.6428  -3.133516      13.41435  
1 1 1 -25 7   24 o 15.870  7.0242  4.3858     238.647  46.861     334.865  -39.4518   340.193  18.682  8.2922  17.745  8.0734  0.9370708      11.57322  
1 1 1 -25 7   25 o 22.756  9.2961  319.897    362.973  319.897    362.973  0.0000     0.0000   22.756  9.2961  ?       ?       0.000000       9.296124  
1 1 1 -25 7   26 o 28.087  11.129  676.771    503.328  676.771    503.328  0.0000     0.0000   28.087  11.129  ?       ?       0.000000       11.12854  
1 1 1 -25 8   1  o 116.967 3.1327  7453.29    396.876  7402.92    553.979  7506.40    568.851  116.236 4.4003  117.019 4.4882  -0.7821274     6.285430  
1 1 1 -25 8   2  o 116.302 3.1265  7368.16    393.839  7168.17    543.265  7589.69    571.772  114.390 4.3849  117.673 4.4862  -3.283775      6.273167  
1 1 1 -25 8   3  o 37.187  5.3343  776.317    208.697  867.390    279.860  662.225    313.235  38.938  6.8878  33.603  8.5774  5.335358       11.00062  
1 1 1 -25 8   4  o 19.857  6.9096  199.048    182.133  294.206    243.301  77.748     274.697  23.577  7.9936  19.506  8.0414  4.070591       11.33852  
1 1 1 -25 8   5  o 32.586  6.1435  606.538    208.878  478.205    282.391  761.577    310.386  28.790  8.4820  36.101  8.1331  -7.311310      11.75127  
1 1 1 -25 8   6  o 54.685  4.0140  1644.60    236.087  1723.54    316.202  1545.16    354.892  55.678  5.3076  52.383  6.3874  3.295494       8.304821  
1 1 1 -25 8   7  o 41.599  4.5918  961.105    203.441  868.546    267.609  1087.85    313.147  39.012  6.5666  43.679  6.8441  -4.666943      9.484843  
1 1 1 -25 8   8  o 107.084 3.1590  6251.72    366.389  6169.67    507.841  6340.78    529.119  106.040 4.4217  107.461 4.5461  -1.420532      6.341762  
1 1 1 -25 8   9  o 43.019  4.5717  1027.75    209.747  894.871    280.784  1195.50    315.493  39.507  6.8077  45.888  6.5321  -6.381706      9.434661  
1 1 1 -25 8   10 o 28.151  5.8622  455.450    172.934  563.643    202.881  167.954    330.718  31.310  6.2020  22.482  8.9845  8.827982       10.91722  
1 1 1 -25 8   11 f 41.030  4.5527  937.226    198.908  798.898    237.276  1264.25    364.827  37.438  6.0585  46.809  7.4453  -9.370411      9.598829  
1 1 1 -25 8   12 o 63.387  3.6873  2207.96    252.058  2337.79    306.908  1938.92    441.802  65.039  4.3823  58.215  7.1576  6.823563       8.392604  
1 1 1 -25 8   13 o 25.526  6.7673  380.552    190.134  508.217    234.259  134.097    325.484  29.361  7.3760  21.616  8.8136  7.744541       11.49283  
1 1 1 -25 8   14 o 39.512  5.3402  883.449    222.682  872.467    256.708  916.832    447.585  38.946  6.3007  38.436  10.468  0.5108223      12.21824  
1 1 1 -25 8   15 o 21.002  7.3244  232.171    204.709  197.712    234.796  341.372    417.982  20.694  7.7547  26.763  10.273  -6.068634      12.87122  
1 1 1 -25 8   16 o 40.661  4.9768  933.634    214.601  879.435    284.480  1005.20    326.908  38.682  7.0499  41.174  7.6108  -2.492607      10.37422  
1 1 1 -25 8   17 o 66.329  3.8820  2434.92    277.669  2366.20    379.766  2513.86    407.014  64.704  5.4702  66.589  5.6983  -1.884277      7.898907  
1 1 1 -25 8   18 o 54.132  4.3230  1638.20    251.343  1918.19    356.745  1362.22    354.174  57.928  5.7624  48.123  7.0003  9.805061       9.066979  
1 1 1 -25 8   19 o 23.818  7.6224  337.283    222.347  189.564    314.303  485.270    314.589  21.725  8.7316  27.988  9.0782  -6.262712      12.59586  
1 1 1 -25 8   20 o 62.269  4.1128  2181.70    275.816  2274.47    372.420  2068.99    410.478  62.645  5.5461  58.995  6.5337  3.649921       8.570262  
1 1 1 -25 8   21 o 24.121  7.6643  366.849    225.107  372.116    312.806  361.192    324.200  24.563  8.9969  24.413  9.1193  0.1497574      12.81035  
1 1 1 -25 8   22 o 29.230  7.4720  550.708    237.459  497.353    322.602  613.799    350.804  27.138  9.2046  29.648  9.5834  -2.510265      13.28783  
1 1 1 -25 8   23 o 34.891  6.7257  764.605    244.953  563.043    332.691  1003.24    361.994  28.263  9.3441  38.202  8.9120  -9.938408      12.91267  
1 1 1 -25 8   24 o 47.289  6.7349  1409.36    335.207  1256.93    424.352  1662.33    546.651  41.670  9.5999  46.148  11.077  -4.478096      14.65819  
1 1 1 -25 8   25 o 27.900  9.8351  599.769    369.676  599.769    369.676  0.0000     0.0000   27.900  9.8351  ?       ?       0.000000       9.835058  
1 1 1 -25 8   26 o 23.718  10.726  286.145    589.407  286.145    589.407  0.0000     0.0000   23.718  10.726  ?       ?       0.000000       10.72571  
1 1 1 -25 9   1  o 26.838  6.2041  414.650    176.736  401.931    226.589  434.408    282.420  26.438  7.5426  27.655  8.5559  -1.217072      11.40588  
1 1 1 -25 9   2  o 108.753 3.0913  6442.18    364.131  6218.46    499.811  6695.25    531.573  106.553 4.3308  110.531 4.4403  -3.977699      6.202588  
1 1 1 -25 9   3  o 161.111 3.5072  14161.66   611.998  14219.44   854.683  14100.85   876.731  160.871 4.9052  160.127 5.0551  0.7436218      7.043819  
1 1 1 -25 9   4  o 84.742  3.2417  3914.02    297.537  4090.50    403.131  3702.87    440.972  86.420  4.3069  81.921  4.9937  4.499382       6.594405  
1 1 1 -25 9   5  o 92.307  3.3094  4645.94    330.867  4465.97    467.785  4826.12    468.048  90.038  4.8142  93.782  4.6079  -3.743225      6.664032  
1 1 1 -25 9   6  o 86.975  3.8720  4136.01    364.751  4305.63    609.188  4041.22    455.405  87.785  6.4523  85.584  4.9338  2.200867       8.122483  
1 1 1 -25 9   7  o 64.384  3.5759  2270.56    248.377  2229.72    326.163  2326.93    383.210  63.519  4.7758  64.682  5.5229  -1.162674      7.301414  
1 1 1 -25 9   8  o 111.656 3.2396  6799.50    391.778  6258.79    538.939  7405.45    570.524  106.722 4.6625  116.132 4.5358  -9.410355      6.504739  
1 1 1 -25 9   9  o 64.396  3.5784  2272.74    248.601  2158.76    335.445  2411.61    370.279  62.399  5.0055  65.905  5.2302  -3.506313      7.239475  
1 1 1 -25 9   10 f 47.180  3.9086  1227.14    197.931  1250.43    231.509  1163.84    381.596  47.480  4.5578  44.654  8.1918  2.826035       9.374421  
1 1 1 -25 9   11 o 57.784  3.7896  1836.33    235.865  2057.27    287.187  1378.44    413.429  61.026  4.3739  48.640  8.1348  12.38520       9.236160  
1 1 1 -25 9   12 o 39.737  4.8914  884.696    206.076  864.814    251.125  925.689    360.599  38.910  6.1643  39.422  8.6801  -0.5123711     10.64627  
1 1 1 -25 9   13 o 30.744  6.3825  548.907    205.577  652.967    239.525  257.868    400.577  33.462  6.8398  25.264  9.9539  8.198153       12.07734  
1 1 1 -25 9   14 o 30.680  2.2940  515.203    75.675   868.385    250.516  479.739    79.383   38.902  6.1501  29.568  2.5022  9.333483       6.639622  
1 1 1 -25 9   15 o 20.187  7.2775  203.468    203.500  125.188    232.628  458.655    420.016  18.992  7.5527  28.882  10.449  -9.890259      12.89250  
1 1 1 -25 9   16 o 70.393  3.7122  2734.04    282.032  2805.59    326.759  2525.01    558.478  71.104  4.2626  65.468  8.0453  5.635719       9.104765  
1 1 1 -25 9   17 o 74.071  3.6760  3021.27    294.915  2860.96    402.587  3206.93    433.243  71.295  5.2505  75.456  5.3355  -4.161545      7.485656  
1 1 1 -25 9   18 o 66.801  3.9150  2477.17    282.020  2307.86    411.361  2627.32    387.391  63.399  6.0646  68.127  5.2915  -4.728584      8.048593  
1 1 1 -25 9   19 o 19.527  7.4196  179.481    216.654  149.841    302.991  210.492    309.917  20.771  8.4902  22.014  8.7292  -1.243401      12.17714  
1 1 1 -25 9   20 o 21.075  7.7169  242.385    230.105  437.173    330.929  60.054     320.173  26.469  9.3080  19.403  8.3689  7.066015       12.51708  
1 1 1 -25 9   21 o 15.413  6.5784  35.894     194.022  3.5500     298.878  59.453     255.075  17.824  7.8764  17.574  7.5229  0.2503376      10.89183  
1 1 1 -25 9   22 o 25.545  7.7118  422.268    231.270  406.104    315.458  441.052    340.055  25.094  9.0586  25.906  9.3970  -0.8122959     13.05228  
1 1 1 -25 9   23 o 26.570  7.9189  469.547    245.013  427.284    339.622  515.415    353.814  25.303  9.3569  27.114  9.6149  -1.811209      13.41630  
1 1 1 -25 9   24 o 20.894  8.3638  238.822    287.116  149.747    353.158  412.479    493.101  20.364  8.7864  25.251  10.619  -4.886314      13.78250  
1 1 1 -25 9   25 o 28.905  9.8952  650.531    372.858  650.531    372.858  0.0000     0.0000   28.905  9.8952  ?       ?       0.000000       9.895162  
1 1 1 -25 9   26 o 24.719  10.516  428.560    492.873  428.560    492.873  0.0000     0.0000   24.719  10.516  ?       ?       0.000000       10.51605  
1 1 1 -25 10  1  o 47.207  3.9456  1226.73    199.893  1221.80    259.488  1233.91    313.491  46.835  5.2034  46.758  6.3547  0.7648468E-01  8.213267  
1 1 1 -25 10  2  o 56.901  3.7385  1775.83    229.123  1732.50    293.062  1843.96    367.479  55.950  4.8850  57.433  5.9959  -1.482544      7.733975  
1 1 1 -25 10  3  o 73.001  3.3042  2905.29    261.253  2905.16    346.812  2905.47    397.237  72.678  4.4269  72.504  5.0907  0.1740799      6.746288  
1 1 1 -25 10  4  o 48.314  4.4148  1289.61    228.472  1238.26    308.204  1352.25    340.408  46.880  6.2238  48.913  6.5935  -2.033230      9.066923  
1 1 1 -25 10  5  o 58.912  3.8873  1905.46    246.643  1798.89    337.345  2027.86    361.521  56.829  5.5515  60.357  5.5938  -3.527027      7.880966  
1 1 1 -25 10  6  o 92.103  3.2655  4625.58    325.758  4448.68    444.508  4830.81    478.783  89.917  4.5794  93.658  4.7352  -3.741058      6.587341  
1 1 1 -25 10  7  o 69.760  3.4456  2656.17    260.341  2570.84    342.410  2773.08    400.801  68.259  4.6593  70.727  5.2699  -2.467323      7.034261  
1 1 1 -25 10  8  o 89.102  3.2967  4331.24    318.149  4222.87    426.639  4466.99    477.509  87.589  4.5125  89.956  4.9196  -2.367393      6.675722  
1 1 1 -25 10  9  o 45.930  3.8041  1161.78    187.539  1349.70    236.937  846.578    306.864  49.379  4.4789  38.127  7.6961  11.25168       8.904505  
1 1 1 -25 10  10 o 86.043  3.0500  4037.04    284.239  4195.42    331.241  3594.75    553.561  87.621  3.4903  80.012  6.4422  7.608673       7.326953  
1 1 1 -25 10  11 o 59.283  2.4516  1912.39    157.420  1762.05    275.393  1985.35    191.853  56.405  4.5464  60.341  2.9355  -3.936016      5.411761  
1 1 1 -25 10  12 o 116.674 3.3188  7441.39    419.401  7786.25    500.016  6622.95    770.281  119.146 3.8747  108.418 6.5909  10.72810       7.645439  
1 1 1 -25 10  13 o 83.375  2.9329  3794.46    264.852  3925.76    361.104  3641.60    389.638  84.536  3.9438  81.148  4.4502  3.388565       5.946238  
1 1 1 -25 10  14 o 70.233  3.6368  2713.38    275.698  2698.80    321.597  2753.82    535.486  69.838  4.2721  69.204  7.2518  0.6342163      8.416594  
1 1 1 -25 10  15 o 16.547  6.8302  59.025     198.503  55.178     226.302  71.859     413.379  17.369  7.2410  22.533  9.6095  -5.164686      12.03222  
1 1 1 -25 10  16 o 33.024  7.0538  645.835    244.640  674.502    291.965  578.277    448.212  33.395  8.1448  31.193  10.840  2.202724       13.55900  
1 1 1 -25 10  17 o 37.247  1.5717  753.624    63.404   510.768    311.351  764.131    64.761   29.052  8.9827  37.504  1.5943  -8.451708      9.123050  
1 1 1 -25 10  18 o 81.319  3.4626  3642.89    304.977  3400.89    429.552  3888.88    433.075  77.636  5.1374  83.233  4.8246  -5.597771      7.047712  
1 1 1 -25 10  19 o 68.899  3.8333  2642.58    284.925  2767.97    407.767  2522.94    398.289  69.570  5.4553  66.310  5.5980  3.259895       7.816480  
1 1 1 -25 10  20 o 20.661  7.5385  232.759    219.313  501.224    302.533  -64.5751   318.384  27.886  8.8878  17.649  7.9411  10.23676       11.91865  
1 1 1 -25 10  21 o 17.945  7.2694  125.428    219.724  306.329    303.095  -74.9417   318.988  23.083  8.7746  17.311  7.8536  5.771198       11.77590  
1 1 1 -25 10  22 o 33.866  6.7226  714.234    237.889  494.978    323.466  972.527    351.082  27.058  9.2167  38.099  8.6992  -11.04064      12.67376  
1 1 1 -25 10  23 o 26.636  8.0275  474.139    250.748  646.650    353.014  298.469    356.231  29.966  9.6060  23.011  9.2791  6.955053       13.35574  
1 1 1 -25 10  24 o 18.148  7.8541  83.198     283.906  149.986    349.326  -46.7522   487.272  20.298  8.7482  20.282  9.3861  0.1542473E-01  12.83079  
1 1 1 -25 10  25 o 29.654  10.345  708.544    408.408  708.544    408.408  0.0000     0.0000   29.654  10.345  ?       ?       0.000000       10.34521  
1 1 1 -25 10  26 o 31.034  11.419  865.136    504.718  865.136    504.718  0.0000     0.0000   31.034  11.419  ?       ?       0.000000       11.41897  
1 1 1 -25 11  1  o 113.113 3.1258  6971.22    382.952  7048.58    532.005  6888.04    551.681  113.422 4.3306  112.057 4.5455  1.365120       6.278165  
1 1 1 -25 11  2  o 132.577 3.2631  9581.37    468.564  9451.34    654.364  9718.20    671.258  131.249 4.6031  133.069 4.6574  -1.819565      6.548277  
1 1 1 -25 11  3  o 160.198 3.5031  14003.62   607.827  14004.56   848.351  14002.62   871.303  159.626 4.9068  159.549 5.0420  0.7644653E-01  7.035564  
1 1 1 -25 11  4  o 77.624  3.3838  3286.48    284.490  3399.07    388.976  3156.98    417.161  78.580  4.5902  75.567  5.1272  3.012604       6.881728  
1 1 1 -25 11  5  o 68.180  3.5876  2544.90    264.003  2494.81    361.596  2602.07    386.345  67.162  5.0068  68.530  5.2449  -1.367363      7.250962  
1 1 1 -25 11  6  o 95.310  3.2458  4953.12    335.060  5111.66    457.019  4768.88    492.683  96.556  4.3700  92.990  4.9091  3.565842       6.572374  
1 1 1 -25 11  7  o 65.020  2.5332  2299.22    178.399  2101.16    326.786  2383.31    212.928  61.603  4.9392  66.145  2.9721  -4.542385      5.764498  
1 1 1 -25 11  8  o 45.307  4.7362  1140.33    228.979  869.832    301.299  1510.15    352.298  38.760  7.4477  51.720  6.4277  -12.95979      9.837841  
1 1 1 -25 11  9  o 49.084  3.7590  1325.38    198.323  1183.50    230.023  1736.34    391.490  46.167  4.6641  55.396  6.6583  -9.228580      8.129330  
1 1 1 -25 11  10 o 122.010 3.2090  8123.93    424.068  8246.54    494.676  7784.02    823.626  122.766 3.7203  117.893 6.4750  4.873146       7.467650  
1 1 1 -25 11  11 o 16.187  6.5290  71.593     176.421  4.2270     212.553  220.779    316.310  16.056  6.8699  23.096  8.9178  -7.040789      11.25710  
1 1 1 -25 11  12 o 47.443  2.0747  1223.47    106.613  969.017    260.909  1274.47    116.810  41.274  6.0130  48.408  2.2279  -7.134090      6.412444  
1 1 1 -25 11  13 o 52.344  4.1270  1516.19    232.076  1471.58    269.439  1644.42    456.805  51.338  4.9054  52.952  8.2322  -1.614731      9.582919  
1 1 1 -25 11  14 o 84.669  3.4071  3927.39    312.452  4073.56    367.421  3545.55    593.845  86.063  3.9417  78.717  7.0395  7.345268       8.067885  
1 1 1 -25 11  15 o 28.930  6.8491  494.088    211.285  473.957    241.273  560.309    437.593  28.206  7.6875  30.931  10.713  -2.725018      13.18590  
1 1 1 -25 11  16 f 53.225  4.2991  1577.05    245.718  1323.30    283.077  2352.59    494.883  48.296  5.5102  63.594  7.3182  -15.29803      9.160717  
1 1 1 -25 11  17 o 24.961  7.4078  368.343    214.743  316.270    295.669  426.478    312.407  24.324  8.7716  27.022  9.0585  -2.697720      12.60942  
1 1 1 -25 11  18 o 39.463  5.5629  895.909    231.175  1212.81    321.744  557.724    332.376  45.456  6.7393  29.976  9.2831  15.47975       11.47141  
1 1 1 -25 11  19 o 48.037  4.7075  1308.43    241.780  1354.20    334.316  1258.24    350.086  47.873  6.6252  45.716  7.3171  2.157402       9.870816  
1 1 1 -25 11  20 o 24.705  7.5595  379.139    221.163  171.643    304.296  611.476    321.997  20.827  8.5102  30.474  9.0771  -9.647596      12.44258  
1 1 1 -25 11  21 o 30.166  7.6879  586.016    251.921  851.810    379.758  377.126    336.662  35.002  9.6880  24.780  9.2857  10.22139       13.41947  
1 1 1 -25 11  22 o 14.793  6.6635  -54.8173   224.924  -87.4362   317.903  -22.1215   318.278  17.019  7.7669  17.822  7.9853  -0.8021660     11.13955  
1 1 1 -25 11  23 f 14.647  6.7051  -90.8122   239.318  -117.1406  336.199  -63.7676   340.741  16.980  7.8363  17.670  8.0551  -0.6902618     11.23801  
1 1 1 -25 11  24 o 15.902  7.1343  -21.7874   254.921  53.417     384.566  -80.7349   340.472  19.628  8.7872  17.264  7.9376  2.363918       11.84152  
1 1 1 -25 11  25 o 17.784  8.1289  -31.6169   349.995  -31.6169   349.995  0.0000     0.0000   17.784  8.1289  ?       ?       0.000000       8.128901  
1 1 1 -25 11  26 o 30.526  11.338  830.417    499.784  830.417    499.784  0.0000     0.0000   30.526  11.338  ?       ?       0.000000       11.33837  
1 1 1 -25 12  1  o 14.176  6.1324  -16.5635   172.928  -180.9286  224.893  221.194    270.482  13.739  6.3645  22.286  8.3286  -8.547112      10.48205  
1 1 1 -25 12  2  o 33.270  5.9646  630.168    207.038  785.764    284.158  454.103    302.272  36.867  7.3739  28.283  8.8682  8.583786       11.53342  
1 1 1 -25 12  3  f 46.856  4.1999  1211.40    210.884  1253.24    271.196  1147.41    335.402  47.391  5.3787  44.816  7.1501  2.574966       8.947328  
1 1 1 -25 12  4  o 95.526  3.2913  4975.69    340.539  5159.48    462.198  4757.44    503.660  97.016  4.3986  92.859  5.0265  4.156738       6.679321  
1 1 1 -25 12  5  f 48.020  4.4534  1275.04    228.987  1579.51    308.910  903.677    341.160  53.244  5.4328  39.324  8.2721  13.91994       9.896598  
1 1 1 -25 12  6  f 114.932 3.2728  7203.63    407.405  7140.71    565.007  7271.78    587.997  114.051 4.5739  115.043 4.7190  -0.9919586     6.571836  
1 1 1 -25 12  7  o 78.155  3.3291  3332.46    281.814  3139.45    373.927  3586.23    428.767  75.474  4.5962  80.579  4.9366  -5.104965      6.744983  
1 1 1 -25 12  8  f 90.969  2.8305  4506.30    278.886  4324.70    342.008  4866.69    481.796  88.978  3.5488  93.956  4.7499  -4.977715      5.929184  
1 1 1 -25 12  9  o 64.650  2.5908  2274.41    181.411  2628.07    268.810  1978.60    245.836  69.250  3.5963  60.017  3.8014  9.233166       5.232976  
1 1 1 -25 12  10 o ?       ?       -91.6784   23.897   260.689    185.661  -97.6145   24.098   21.726  6.9665  ?       ?       0.000000       6.966544  
1 1 1 -25 12  11 o 48.659  4.5476  1314.41    236.891  1328.23    295.857  1289.72    395.430  48.573  5.7341  47.022  8.0539  1.551224       9.886650  
1 1 1 -25 12  12 o 85.566  3.3402  4003.31    309.561  3737.72    361.371  4735.50    600.001  82.496  4.0444  91.880  6.0633  -9.384079      7.288407  
1 1 1 -25 12  13 o 50.288  4.2006  1401.40    226.699  1307.32    261.613  1685.01    454.213  48.305  5.0762  53.682  8.0610  -5.377178      9.526150  
1 1 1 -25 12  14 o 73.027  2.8630  2911.92    226.452  3407.27    333.891  2489.97    308.159  78.714  3.9164  67.068  4.2644  11.64655       5.789870  
1 1 1 -25 12  15 o 91.474  3.3235  4586.56    329.276  4293.43    394.544  5259.32    597.706  88.215  4.1293  96.661  5.7347  -8.446091      7.066699  
1 1 1 -25 12  16 o 70.473  3.6877  2739.97    280.504  3027.11    324.601  1893.28    557.399  73.937  4.0691  55.618  9.5998  18.31834       10.42658  
1 1 1 -25 12  17 o 60.874  3.6488  2047.74    239.465  2128.43    313.304  1934.39    371.358  61.655  4.7277  58.194  5.9767  3.461216       7.620471  
1 1 1 -25 12  18 o 37.626  6.0032  823.719    236.426  884.613    338.090  765.441    330.745  37.862  8.4578  35.044  8.7426  2.817261       12.16417  
1 1 1 -25 12  19 o 27.532  7.2861  464.744    220.653  572.986    304.784  345.527    319.863  30.058  8.7995  24.773  9.0942  5.285339       12.65443  
1 1 1 -25 12  20 o 22.277  7.5783  295.088    218.684  664.885    299.888  -124.8744  319.583  32.002  8.5061  16.929  7.7491  15.07288       11.50659  
1 1 1 -25 12  21 o 18.923  7.3982  170.256    219.808  315.733    302.134  6.6795     320.379  23.243  8.7785  18.361  8.1321  4.881590       11.96634  
1 1 1 -25 12  22 o 34.029  6.9564  728.128    247.737  615.483    354.457  835.703    346.389  29.592  9.6383  34.880  9.0803  -5.287540      13.24192  
1 1 1 -25 12  23 o 45.199  5.5420  1222.18    265.626  1032.05    377.064  1409.48    374.255  38.432  9.1838  46.709  7.6636  -8.277203      11.96132  
1 1 1 -25 12  24 o 32.910  9.6611  807.339    366.941  807.339    366.941  0.0000     0.0000   32.910  9.6611  ?       ?       0.000000       9.661092  
1 1 1 -25 12  25 o 29.271  9.7903  666.007    364.913  666.007    364.913  0.0000     0.0000   29.271  9.7903  ?       ?       0.000000       9.790288  
1 1 1 -25 12  26 o 19.586  8.5372  135.748    340.358  135.748    340.358  0.0000     0.0000   19.586  8.5372  ?       ?       0.000000       8.537168  
1 1 1 -25 13  1  o 134.338 3.2307  9838.58    470.077  9574.06    656.104  10117.59   673.829  132.076 4.5865  135.775 4.5821  -3.698990      6.483130  
1 1 1 -25 13  2  o 64.112  3.5105  2249.89    242.841  2163.86    326.857  2355.89    362.807  62.563  4.8617  65.209  5.1795  -2.645264      7.103811  
1 1 1 -25 13  3  o 152.663 3.4053  12714.28   563.070  12305.58   783.012  13151.95   810.289  149.638 4.8312  154.696 4.8361  -5.058151      6.835808  
1 1 1 -25 13  4  o 134.839 3.3141  9915.21    484.006  9157.42    666.829  10758.95   703.627  129.104 4.7688  139.992 4.6406  -10.88785      6.654011  
1 1 1 -25 13  5  o 150.263 3.9813  12353.23   647.964  11841.03   783.239  13464.01   1153.42  146.719 4.9288  155.331 6.8558  -8.612045      8.443627  
1 1 1 -25 13  6  o 169.344 3.6231  15664.46   664.532  15332.01   928.552  16013.51   951.446  166.815 5.1393  170.474 5.1529  -3.659363      7.277699  
1 1 1 -25 13  7  o 116.656 3.1954  7420.44    403.746  7163.18    551.039  7718.63    593.262  114.250 4.4530  118.537 4.6209  -4.286995      6.417328  
1 1 1 -25 13  8  f 41.921  4.4229  974.881    197.792  1023.02    222.763  795.538    429.962  42.846  4.8877  36.443  10.388  6.403008       11.48015  
1 1 1 -25 13  9  o 46.036  4.0956  1170.49    202.079  1360.59    232.730  587.981    407.384  49.595  4.3775  31.901  10.329  17.69431       11.21834  
1 1 1 -25 13  10 o 48.518  3.9669  1298.38    206.634  1300.86    243.309  1291.94    391.382  48.388  4.7018  47.167  7.9435  1.221752       9.230686  
1 1 1 -25 13  11 o 152.635 3.4248  12737.66   566.189  13225.93   658.099  11346.66   1110.78  155.309 3.9122  141.565 7.2689  13.74373       8.254842  
1 1 1 -25 13  12 o 70.996  3.6769  2768.91    281.771  2745.91    332.046  2828.06    532.596  70.494  4.3704  70.436  7.0770  0.5764008E-01  8.317688  
1 1 1 -25 13  13 o 16.842  6.8699  71.063     197.862  -16.4698   230.429  316.746    386.045  16.261  7.0566  26.005  9.8985  -9.743132      12.15635  
1 1 1 -25 13  14 o 35.392  5.7808  717.498    213.945  806.175    249.128  468.366    417.575  37.357  6.3867  29.134  10.433  8.222960       12.23276  
1 1 1 -25 13  15 o 86.037  3.3733  4059.36    314.345  4032.31    362.064  4142.18    633.489  85.568  3.9067  84.976  6.9436  0.5921707      7.967178  
1 1 1 -25 13  16 o 20.336  7.5614  196.674    222.390  231.304    259.466  100.805    431.712  21.887  8.1617  23.192  9.8536  -1.304688      12.79475  
1 1 1 -25 13  17 o 61.169  4.1490  2080.01    273.257  2067.56    318.320  2114.91    532.743  60.686  4.8843  59.340  8.5346  1.345787       9.833375  
1 1 1 -25 13  18 o 23.906  7.4793  337.580    215.137  430.776    292.956  228.486    316.961  26.788  8.7642  22.650  8.8760  4.137358       12.47377  
1 1 1 -25 13  19 o 47.651  4.9007  1294.30    249.322  1348.82    356.407  1242.04    348.901  47.382  7.1689  45.318  7.3607  2.063461       10.27490  
1 1 1 -25 13  20 o 39.761  5.5912  929.150    234.137  830.042    322.051  1040.26    341.000  35.843  8.4360  40.532  8.0513  -4.689766      11.66150  
1 1 1 -25 13  21 o 20.607  7.6642  235.317    228.508  243.670    321.000  226.736    325.362  22.067  8.8400  21.829  8.8449  0.2385826      12.50506  
1 1 1 -25 13  22 o 17.344  7.3948  68.769     244.699  -2.7460    368.606  125.119    327.197  19.151  8.5862  20.036  8.5471  -0.8857021     12.11511  
1 1 1 -25 13  23 o 31.432  7.6530  650.737    258.101  775.632    383.877  547.696    348.677  32.407  9.9666  27.743  9.5656  4.663877       13.81421  
1 1 1 -25 13  24 o 20.606  8.8045  174.674    348.229  174.674    348.229  0.0000     0.0000   20.606  8.8045  ?       ?       0.000000       8.804486  
1 1 1 -25 13  25 o 26.724  9.6875  542.583    361.323  542.583    361.323  0.0000     0.0000   26.724  9.6875  ?       ?       0.000000       9.687489  
1 1 1 -25 13  26 o 17.792  8.0314  11.445     328.783  11.445     328.783  0.0000     0.0000   17.792  8.0314  ?       ?       0.000000       8.031410  
1 1 1 -25 14  1  o 16.482  6.5622  82.408     175.795  135.849    227.872  3.8450     276.288  19.330  7.5395  18.261  7.8236  1.068768       10.86524  
1 1 1 -25 14  2  o 20.618  6.9441  223.992    183.593  285.789    238.119  133.405    288.298  23.253  7.9079  20.893  8.3747  2.359758       11.51831  
1 1 1 -25 14  3  o 88.910  3.1923  4308.86    307.410  4092.34    419.053  4561.15    452.339  86.259  4.5010  91.047  4.6019  -4.788040      6.437104  
1 1 1 -25 14  4  o 146.981 3.4136  11787.21   543.424  11610.93   747.222  11985.12   791.744  145.373 4.7456  147.603 4.9524  -2.229919      6.859137  
1 1 1 -25 14  5  o 130.220 3.3382  9250.05    470.823  9569.94    656.206  8910.65    675.920  132.030 4.5888  127.278 4.9031  4.751190       6.715461  
1 1 1 -25 14  6  o 81.657  3.3604  3638.05    297.201  3937.34    399.884  3268.74    444.213  84.622  4.3779  76.782  5.3754  7.840401       6.932620  
1 1 1 -25 14  7  o 35.254  4.7461  694.995    176.618  685.785    207.953  718.835    334.578  34.776  5.7198  34.865  8.8459  -0.8881378E-01 10.53401  
1 1 1 -25 14  8  o 66.628  3.2376  2421.77    233.641  2418.95    263.378  2432.19    506.168  66.421  3.6753  65.461  7.2614  0.9597244      8.138572  
1 1 1 -25 14  9  f 64.786  3.3978  2298.34    237.594  2132.91    270.077  2864.64    499.694  62.264  4.0264  71.351  6.5387  -9.087139      7.678981  
1 1 1 -25 14  10 o 63.057  3.4014  2178.70    231.443  2028.28    269.780  2598.02    450.432  60.665  4.1304  68.009  6.1825  -7.344635      7.435280  
1 1 1 -25 14  11 o 39.244  5.0394  864.478    209.253  971.060    236.190  475.540    451.191  41.533  5.3767  29.924  10.829  11.60869       12.09015  
1 1 1 -25 14  12 o 19.385  7.1014  177.023    194.892  -35.8873   223.912  842.427    395.842  15.730  6.8886  37.236  9.7132  -21.50593      11.90798  
1 1 1 -25 14  13 o 82.923  3.3181  3763.00    298.012  3830.57    345.303  3565.77    589.976  83.523  3.8170  79.071  6.9598  4.452515       7.937777  
1 1 1 -25 14  14 o 99.110  3.3233  5379.58    356.742  5273.62    417.566  5665.89    686.414  97.908  3.9376  100.055 6.3671  -2.146988      7.486311  
1 1 1 -25 14  15 o 95.613  3.3030  5011.23    342.053  4585.27    395.306  6280.45    682.364  91.202  4.0018  105.436 6.0001  -14.23422      7.212165  
1 1 1 -25 14  16 o 37.041  5.9005  790.497    228.785  772.072    264.010  846.052    458.448  36.191  6.9883  36.488  10.822  -0.2977448     12.88257  
1 1 1 -25 14  17 o 33.713  6.4914  667.867    228.431  627.306    263.183  791.750    459.949  32.238  7.6520  35.164  10.925  -2.925976      13.33846  
1 1 1 -25 14  18 o 47.557  4.6843  1275.97    238.150  1052.50    325.834  1532.25    348.941  41.890  7.4547  51.307  6.4197  -9.416885      9.837965  
1 1 1 -25 14  19 o 48.101  4.6793  1313.90    240.696  1237.03    331.168  1399.99    350.440  45.442  6.9493  48.438  6.8725  -2.995224      9.773670  
1 1 1 -25 14  20 o 49.173  4.8396  1389.46    254.415  1330.70    362.925  1446.24    356.748  46.362  7.4822  48.765  6.9510  -2.403408      10.21274  
1 1 1 -25 14  21 o 54.171  4.7583  1691.33    276.355  1866.91    411.284  1546.80    373.144  55.044  7.0614  50.038  7.0829  5.006683       10.00158  
1 1 1 -25 14  22 o 30.078  7.5010  585.357    243.534  622.522    348.905  550.049    340.083  29.761  9.5509  28.178  9.4512  1.582838       13.43672  
1 1 1 -25 14  23 o 26.489  7.9078  468.621    244.179  450.339    349.168  486.119    341.600  25.693  9.4902  26.430  9.4394  -0.7362595     13.38534  
1 1 1 -25 14  24 o 29.591  10.213  677.342    397.531  677.342    397.531  0.0000     0.0000   29.591  10.213  ?       ?       0.000000       10.21313  
1 1 1 -25 14  25 o 26.384  9.5100  522.044    347.487  522.044    347.487  0.0000     0.0000   26.384  9.5100  ?       ?       0.000000       9.510031  
1 1 1 -25 15  1  o 95.746  3.0838  4995.45    319.802  4686.57    438.305  5347.07    467.656  92.450  4.3772  98.751  4.3723  -6.301346      6.186886  
1 1 1 -25 15  2  o 44.614  4.3287  1100.84    206.537  1109.41    270.486  1088.86    319.856  44.442  5.7544  43.659  7.0007  0.7830658      9.062195  
1 1 1 -25 15  3  o 110.255 3.1664  6625.86    378.120  6532.75    521.391  6729.16    549.174  109.147 4.4104  110.722 4.5794  -1.574966      6.357874  
1 1 1 -25 15  4  o 52.632  3.9631  1523.81    224.266  1561.44    280.087  1456.59    374.360  53.061  4.9300  50.625  7.0160  2.436108       8.574923  
1 1 1 -25 15  5  o 156.076 3.4665  13296.25   585.999  12887.49   816.780  13729.83   841.217  153.048 4.9273  157.975 4.9164  -4.927948      6.960555  
1 1 1 -25 15  6  o 65.046  3.7454  2320.17    262.755  2078.83    355.794  2609.69    389.700  61.132  5.4301  68.589  5.2865  -7.457630      7.578444  
1 1 1 -25 15  7  o 84.649  3.2181  3907.90    295.051  3861.88    339.505  4049.91    596.420  84.048  3.7295  85.021  6.5265  -0.9731827     7.516975  
1 1 1 -25 15  8  o 56.281  3.5796  1737.75    217.069  1625.32    244.086  2162.94    474.676  54.293  4.1830  61.689  7.2421  -7.395786      8.363325  
1 1 1 -25 15  9  o 27.744  6.7195  447.263    199.781  499.518    229.738  285.169    404.625  29.246  7.2810  26.026  10.076  3.219881       12.43110  
1 1 1 -25 15  10 o 33.064  5.8524  624.521    201.911  531.082    245.280  820.938    355.623  30.081  7.5423  37.092  8.9539  -7.011219      11.70720  
1 1 1 -25 15  11 f 13.728  6.1060  -59.4543   182.488  -69.9484   203.736  -16.8682   410.422  14.421  6.4303  21.562  9.3871  -7.140779      11.37835  
1 1 1 -25 15  12 o 73.763  3.5896  2980.54    286.783  2860.60    334.633  3312.28    556.527  71.960  4.3134  76.380  6.7983  -4.420029      8.051197  
1 1 1 -25 15  13 o 108.480 3.2547  6438.03    382.419  6273.91    444.721  6903.79    749.177  106.877 3.8418  110.670 6.2759  -3.792938      7.358427  
1 1 1 -25 15  14 o 23.610  1.7868  304.597    45.354   416.093    245.966  300.673    46.145   26.605  7.9354  23.452  1.8312  3.153664       8.143910  
1 1 1 -25 15  15 o 54.410  2.3406  1613.17    137.935  1442.53    276.200  1669.87    159.211  50.637  5.1057  55.309  2.6577  -4.671867      5.755980  
1 1 1 -25 15  16 o 46.868  4.7121  1232.47    235.957  1290.02    269.925  1046.01    485.867  47.742  5.3100  40.428  10.863  7.313263       12.09180  
1 1 1 -25 15  17 o 41.349  5.2031  972.275    227.863  808.296    260.024  1514.88    473.001  37.061  6.7254  49.667  9.1291  -12.60582      11.33897  
1 1 1 -25 15  18 o 5.0227  2.4133  -56.1514   38.261   269.862    312.107  -61.1256   38.552   23.342  8.8967  4.9376  2.3849  18.40432       9.210763  
1 1 1 -25 15  19 o 42.180  5.2392  1025.66    234.197  929.877    319.778  1136.47    343.952  38.720  7.8928  43.061  7.6551  -4.341198      10.99531  
1 1 1 -25 15  20 o 25.017  7.6535  393.371    226.712  726.562    317.019  44.599     324.346  33.237  8.7035  19.136  8.3378  14.10014       12.05278  
1 1 1 -25 15  21 o 63.728  4.1104  2302.24    282.204  2475.36    402.138  2134.25    396.123  64.698  5.8003  59.677  6.2199  5.021133       8.504777  
1 1 1 -25 15  22 o 45.507  5.3668  1223.95    259.431  1222.44    369.608  1225.42    364.233  43.237  8.1923  43.429  8.0395  -0.1912231     11.47816  
1 1 1 -25 15  23 o 24.906  8.5687  416.121    279.719  197.606    349.778  803.790    465.889  21.229  8.9362  31.888  11.054  -10.65900      14.21397  
1 1 1 -25 15  24 o 15.609  7.3994  -233.6568  335.208  -233.6568  335.208  0.0000     0.0000   15.609  7.3994  ?       ?       0.000000       7.399379  
1 1 1 -25 15  25 o 32.195  9.9191  809.645    380.033  809.645    380.033  0.0000     0.0000   32.195  9.9191  ?       ?       0.000000       9.919072  
1 1 1 -25 16  1  f 78.331  3.1697  3344.81    268.918  3429.80    353.722  3228.40    413.955  79.030  4.1468  76.419  5.0294  2.611748       6.518545  
1 1 1 -25 16  2  o 19.143  6.8174  178.510    178.059  266.845    226.181  34.539     288.755  22.550  7.7070  19.141  8.0916  3.408527       11.17459  
1 1 1 -25 16  3  o 75.041  3.3392  3071.77    271.405  3214.15    365.357  2896.47    405.408  76.427  4.4327  72.317  5.2107  4.109756       6.841105  
1 1 1 -25 16  4  o 122.275 3.2238  8152.10    426.954  8049.98    578.227  8274.51    633.106  121.152 4.4065  122.700 4.7639  -1.547882      6.489410  
1 1 1 -25 16  5  o 125.981 3.2492  8655.15    443.354  8535.78    612.453  8786.57    642.629  124.700 4.5346  126.458 4.6918  -1.758690      6.525010  
1 1 1 -25 16  6  o 82.313  3.0063  3691.56    268.022  3801.68    336.543  3500.60    443.176  83.397  3.7258  79.527  5.1732  3.869797       6.375251  
1 1 1 -25 16  7  o 34.672  5.1199  676.221    186.487  692.680    208.642  610.832    415.851  34.951  5.7087  32.487  10.427  2.463531       11.88762  
1 1 1 -25 16  8  o 60.581  3.5722  2012.49    233.353  1836.42    264.962  2621.18    492.649  57.705  4.2697  68.163  6.7623  -10.45736      7.997379  
1 1 1 -25 16  9  o 51.520  3.8740  1461.44    214.594  1513.41    242.698  1275.20    459.411  52.330  4.3206  46.279  9.4840  6.051105       10.42177  
1 1 1 -25 16  10 o 41.842  4.5680  974.644    203.658  1097.68    242.329  678.768    375.798  44.279  5.1490  33.692  9.7446  10.58653       11.02131  
1 1 1 -25 16  11 o 108.654 3.2560  6450.56    383.172  6257.44    441.763  7037.19    769.942  106.838 3.8176  111.926 6.3776  -5.088112      7.432941  
1 1 1 -25 16  12 o 42.653  5.0466  1020.92    228.622  1102.89    261.535  755.336    470.758  44.187  5.5897  35.226  11.071  8.960308       12.40183  
1 1 1 -25 16  13 f 44.230  4.9179  1096.58    231.606  981.477    270.480  1412.91    448.400  41.394  6.2257  48.669  8.8315  -7.275749      10.80535  
1 1 1 -25 16  14 o 57.888  3.9016  1851.55    243.200  1937.73    281.441  1597.48    483.231  59.058  4.4322  51.618  8.9689  7.440331       10.00428  
1 1 1 -25 16  15 o 53.189  4.1345  1570.75    236.314  1627.91    274.210  1405.77    465.870  53.948  4.7409  48.018  9.2934  5.930061       10.43286  
1 1 1 -25 16  16 o 51.175  4.6192  1465.55    253.276  1394.54    293.193  1674.35    502.794  49.557  5.5581  52.451  9.1852  -2.893978      10.73597  
1 1 1 -25 16  17 o 22.607  7.6030  287.767    220.087  254.289    253.382  390.638    444.162  22.210  8.1031  27.540  10.585  -5.330067      13.33086  
1 1 1 -25 16  18 o 57.935  4.3488  1880.54    270.893  1725.00    316.106  2310.60    525.631  54.992  5.3760  61.941  8.0235  -6.948856      9.657997  
1 1 1 -25 16  19 o 69.378  3.8998  2689.85    291.854  2759.17    419.569  2624.87    406.241  69.115  5.6543  67.434  5.6131  1.681885       7.967271  
1 1 1 -25 16  20 o 43.155  5.4190  1090.62    247.703  1319.23    351.581  865.308    349.041  46.238  7.2594  36.105  8.9664  10.13361       11.53670  
1 1 1 -25 16  21 o 34.383  1.6331  644.619    60.817   435.061    339.699  651.558    61.816   25.937  9.3946  34.565  1.6511  -8.627995      9.538548  
1 1 1 -25 16  22 o 29.991  7.8206  591.033    256.672  450.020    383.543  705.407    345.420  26.072  9.8802  31.669  9.3943  -5.597069      13.63344  
1 1 1 -25 16  23 o 19.864  8.1093  184.244    275.969  17.613     345.224  479.230    459.329  18.653  8.3401  26.370  10.571  -7.716497      13.46457  
1 1 1 -25 16  24 o 13.890  6.7449  -392.9732  319.085  -392.9732  319.085  0.0000     0.0000   13.890  6.7449  ?       ?       0.000000       6.744901  
1 1 1 -25 16  25 o 18.410  8.1758  59.121     325.966  59.121     325.966  0.0000     0.0000   18.410  8.1758  ?       ?       0.000000       8.175802  
1 1 1 -25 17  1  o 39.053  4.8526  851.075    200.835  887.016    257.987  795.792    319.962  39.522  6.2335  36.844  8.2260  2.677422       10.32102  
1 1 1 -25 17  2  o 66.093  3.4543  2390.59    246.418  2054.17    321.249  2871.49    384.083  60.918  4.9106  72.075  4.9500  -11.15758      6.972570  
1 1 1 -25 17  3  o 24.738  6.9089  351.907    192.225  289.491    248.036  445.769    304.165  23.487  8.0696  28.058  8.9084  -4.571001      12.01990  
1 1 1 -25 17  4  o 52.301  3.8414  1503.61    216.084  1137.71    273.220  2114.74    353.096  45.010  5.7347  61.694  5.3367  -16.68439      7.833771  
1 1 1 -25 17  5  o 52.502  4.1502  1518.98    234.077  1265.35    309.425  1858.31    357.913  47.370  6.1780  57.661  5.8101  -10.29055      8.480850  
1 1 1 -25 17  6  o 33.776  5.4843  645.510    193.749  521.610    218.407  1103.15    419.752  29.989  6.8714  43.164  9.2561  -13.17498      11.52786  
1 1 1 -25 17  7  o 78.537  3.1366  3363.27    266.808  3305.29    302.150  3568.52    568.505  77.775  3.5868  79.704  6.6460  -1.928627      7.552171  
1 1 1 -25 17  8  o 54.141  3.5770  1608.95    208.575  1589.66    233.071  1686.53    467.374  53.717  4.0355  53.961  8.2595  -0.2446098     9.192656  
1 1 1 -25 17  9  o 80.890  3.2795  3572.28    287.320  3604.08    330.811  3474.61    579.704  81.145  3.7640  78.433  6.8940  2.712303       7.854607  
1 1 1 -25 17  10 o 136.977 3.3786  10254.02   501.244  10462.21   580.421  9643.25    994.140  138.161 3.8787  130.693 7.0491  7.467712       8.045753  
1 1 1 -25 17  11 o 85.234  3.4437  3974.03    317.912  3868.05    367.825  4286.95    632.067  83.930  4.0463  87.063  6.7557  -3.133278      7.874784  
1 1 1 -25 17  12 f 53.424  4.2113  1580.06    241.708  1616.45    276.193  1461.00    499.534  53.872  4.7832  49.164  9.7255  4.708244       10.83809  
1 1 1 -25 17  13 o 15.104  6.4741  2.5561     189.356  63.813     215.501  -204.9470  396.629  17.244  7.1171  18.928  8.6526  -1.684830      11.20359  
1 1 1 -25 17  14 o 28.212  7.0346  470.524    214.216  494.775    249.927  403.385    415.852  28.810  7.8124  27.842  10.342  0.9680901      12.96142  
1 1 1 -25 17  15 o 17.095  6.9994  73.922     206.347  146.403    242.604  -115.6773  392.378  19.665  7.7469  19.647  8.8302  0.1791191E-01  11.74681  
1 1 1 -25 17  16 o 32.496  6.2744  616.779    212.840  580.194    240.021  751.421    460.456  31.185  7.2444  34.533  10.960  -3.347727      13.13821  
1 1 1 -25 17  17 o 66.557  3.7533  2452.35    269.466  2242.54    308.193  3133.35    555.246  63.326  4.5231  73.332  7.0787  -10.00627      8.400414  
1 1 1 -25 17  18 o 38.057  6.1193  847.629    243.687  681.161    283.314  1321.00    477.751  33.238  7.9723  45.277  10.008  -12.03887      12.79541  
1 1 1 -25 17  19 o 52.881  4.5821  1586.48    259.852  1607.36    364.501  1564.91    370.546  51.998  6.6224  51.135  6.8636  0.8624191      9.537578  
1 1 1 -25 17  20 o 22.763  7.9552  311.577    241.551  482.671    358.602  169.470    326.815  27.197  9.6759  21.031  8.7291  6.166056       13.03156  
1 1 1 -25 17  21 o 31.110  7.5282  620.416    250.923  959.086    372.786  339.871    339.292  37.528  9.2343  24.021  9.2469  13.50717       13.06819  
1 1 1 -25 17  22 o 32.511  7.2094  675.619    247.208  787.267    350.676  565.326    348.542  33.500  9.3229  28.384  9.5678  5.116760       13.35888  
1 1 1 -25 17  23 o 21.954  2.0202  266.542    47.499   167.551    358.586  268.310    47.921   20.853  8.9229  22.025  2.0317  -1.171528      9.151300  
1 1 1 -25 17  24 o 17.493  8.0360  -69.0309   347.926  -69.0309   347.926  0.0000     0.0000   17.493  8.0360  ?       ?       0.000000       8.035964  
1 1 1 -25 17  25 o 27.049  9.4482  549.608    340.703  549.608    340.703  0.0000     0.0000   27.049  9.4482  ?       ?       0.000000       9.448188  
1 1 1 -25 18  1  o 43.824  4.3233  1062.90    202.534  1006.75    265.781  1140.65    312.777  42.227  5.9782  44.794  6.6486  -2.567112      8.941036  
1 1 1 -25 18  2  o 45.291  4.2841  1134.05    207.660  1063.81    270.615  1234.64    323.854  43.452  5.9029  46.659  6.5918  -3.207687      8.848490  
1 1 1 -25 18  3  o 49.762  4.3999  1368.41    234.701  1523.91    310.329  1160.62    358.744  52.234  5.5712  44.873  7.6559  7.360748       9.468461  
1 1 1 -25 18  4  o 91.583  3.2116  4573.49    318.570  4651.36    429.442  4478.19    475.056  92.109  4.3046  90.094  4.8866  2.015007       6.512141  
1 1 1 -25 18  5  o 180.561 3.2527  17781.73   636.117  17344.01   812.250  18476.05   1022.98  177.898 4.2155  183.074 5.1591  -5.175797      6.662307  
1 1 1 -25 18  6  o 164.771 3.5016  14826.70   624.907  14630.14   718.628  15436.29   1265.54  163.440 4.0595  166.028 7.0376  -2.588165      8.124503  
1 1 1 -25 18  7  o 65.518  3.4213  2350.11    241.938  2280.21    274.136  2596.33    514.521  64.417  3.9482  67.704  7.1233  -3.286652      8.144309  
1 1 1 -25 18  8  o 12.463  5.6662  -96.2971   167.209  -231.2727  185.447  490.455    386.651  11.439  5.4460  29.695  10.077  -18.25646      11.45440  
1 1 1 -25 18  9  o 67.067  3.4694  2464.84    251.158  2486.44    286.218  2392.52    523.724  67.245  3.9471  64.649  7.6262  2.595818       8.587122  
1 1 1 -25 18  10 o 41.036  5.1608  945.279    224.302  803.250    255.536  1422.06    468.193  37.373  6.5517  48.942  9.1691  -11.56948      11.26932  
1 1 1 -25 18  11 o 78.697  3.4786  3388.93    296.508  3432.98    342.567  3257.37    592.039  78.973  4.0182  75.522  7.3301  3.451309       8.359241  
1 1 1 -25 18  12 o 107.747 3.2342  6348.30    377.437  6208.52    433.222  6788.62    768.914  106.374 3.7602  109.654 6.5032  -3.279877      7.512037  
1 1 1 -25 18  13 o 129.433 3.3900  9175.79    475.238  9014.68    553.885  9625.35    925.246  128.012 3.9948  130.415 6.5714  -2.402390      7.690382  
1 1 1 -25 18  14 o 62.420  2.6647  2126.13    180.155  2227.41    301.838  2070.08    224.536  63.325  4.4287  61.359  3.3918  1.966240       5.578297  
1 1 1 -25 18  15 o 18.000  7.1415  113.305    207.536  221.101    242.214  -184.3892  402.514  21.348  7.9004  19.168  8.7445  2.179558       11.78486  
1 1 1 -25 18  16 o 29.612  6.9539  521.246    219.229  490.455    252.890  614.364    439.783  28.547  7.9074  31.763  10.747  -3.215889      13.34277  
1 1 1 -25 18  17 o 42.274  5.0598  1014.71    227.073  957.704    257.609  1213.32    480.829  40.668  6.0313  43.481  10.358  -2.813320      11.98577  
1 1 1 -25 18  18 o 50.004  5.0807  1423.15    271.345  1379.20    321.142  1532.80    507.313  48.635  6.2403  48.866  9.9239  -0.2304001     11.72287  
1 1 1 -25 18  19 o 57.072  2.4603  1785.20    152.082  1488.37    366.021  1847.14    167.198  49.725  6.9890  57.995  2.6618  -8.270000      7.478740  
1 1 1 -25 18  20 o 40.744  5.7413  983.995    246.339  1019.84    346.384  947.310    350.401  39.728  8.3167  37.950  8.7093  1.777573       12.04242  
1 1 1 -25 18  21 o 54.746  4.5585  1720.43    267.840  1862.93    378.581  1577.62    378.984  55.508  6.4152  50.440  7.1363  5.068104       9.595853  
1 1 1 -25 18  22 f 25.645  7.9203  432.252    242.138  435.140    342.160  429.355    342.712  25.608  9.4050  25.491  9.4048  0.1170692      13.30054  
1 1 1 -25 18  23 o 23.187  9.2979  319.623    355.521  319.623    355.521  0.0000     0.0000   23.187  9.2979  ?       ?       0.000000       9.297940  
1 1 1 -25 18  24 o 28.140  9.3951  585.351    336.039  585.351    336.039  0.0000     0.0000   28.140  9.3951  ?       ?       0.000000       9.395050  
1 1 1 -25 18  25 o 24.882  9.6324  444.782    369.789  444.782    369.789  0.0000     0.0000   24.882  9.6324  ?       ?       0.000000       9.632442  
1 1 1 -25 19  1  o 103.854 3.2044  5881.56    360.446  5866.50    484.340  5900.26    539.626  103.429 4.3235  103.572 4.8104  -0.1435471     6.467817  
1 1 1 -25 19  2  o 108.967 3.2116  6474.85    379.039  6832.88    520.452  6070.46    553.122  111.634 4.3044  105.044 4.8616  6.589973       6.493289  
1 1 1 -25 19  3  o 142.776 3.3660  11123.30   520.519  11382.04   724.108  10846.64   748.761  143.937 4.6447  140.387 4.9243  3.550110       6.769221  
1 1 1 -25 19  4  o 112.100 3.1789  6851.62    385.970  7010.72    523.376  6661.94    571.477  113.086 4.2730  110.064 4.7938  3.021523       6.421786  
1 1 1 -25 19  5  o 80.698  3.1292  3550.24    273.508  3559.92    308.646  3514.84    590.235  80.735  3.5296  78.989  6.9705  1.746620       7.813231  
1 1 1 -25 19  6  o 9.2216  2.5548  47.633     26.396   -85.6787   179.080  50.594     26.687   13.175  5.9393  9.4835  2.5450  3.691945       6.461627  
1 1 1 -25 19  7  o 54.990  3.6474  1660.28    216.007  1668.80    242.060  1626.98    478.629  55.036  4.0900  52.829  8.6654  2.207027       9.582099  
1 1 1 -25 19  8  o 69.106  3.2790  2606.80    245.426  2759.62    277.268  2053.76    527.471  70.952  3.6200  59.553  8.4118  11.39886       9.157634  
1 1 1 -25 19  9  o 124.360 3.2565  8444.74    438.633  8547.80    503.890  8122.33    891.205  124.959 3.7231  120.089 6.8805  4.869560       7.823158  
1 1 1 -25 19  10 o 158.847 3.5695  13808.22   614.120  13925.24   707.644  13451.21   1236.03  159.253 4.1026  154.155 7.4029  5.097473       8.463677  
1 1 1 -25 19  11 o 136.583 3.3601  10202.66   497.074  10638.40   576.017  8931.74    983.745  139.271 3.8186  125.366 7.2762  13.90455       8.217336  
1 1 1 -25 19  12 o 67.465  3.5350  2500.42    257.406  2352.00    291.101  3032.51    551.175  65.253  4.1403  72.841  7.0756  -7.588005      8.197894  
1 1 1 -25 19  13 o 76.114  3.4048  3173.79    280.688  3005.00    322.246  3704.52    571.412  73.783  4.0478  80.738  6.5918  -6.955437      7.735432  
1 1 1 -25 19  14 o 79.072  3.4339  3429.37    294.091  3245.66    340.358  3970.64    584.224  76.609  4.1170  83.507  6.5108  -6.897614      7.703246  
1 1 1 -25 19  15 o 59.373  3.8628  1949.86    247.056  1916.79    284.298  2051.87    499.299  58.644  4.5105  58.973  8.0254  -0.3291397     9.206099  
1 1 1 -25 19  16 o 28.192  7.1419  474.388    218.332  557.096    251.283  219.606    441.035  30.426  7.6369  24.973  10.230  5.452457       12.76600  
1 1 1 -25 19  17 f 31.862  7.2795  611.323    245.716  564.367    289.466  732.404    464.829  30.269  8.4869  33.761  11.039  -3.492786      13.92462  
1 1 1 -25 19  18 o 45.935  5.2472  1207.97    256.377  1189.22    298.798  1260.28    499.172  45.057  6.2945  43.574  10.664  1.483799       12.38279  
1 1 1 -25 19  19 o 49.833  4.9575  1423.84    264.025  1310.41    383.574  1525.98    363.974  45.849  8.0161  50.404  6.8441  -4.555443      10.54032  
1 1 1 -25 19  20 o 52.779  4.6242  1596.69    261.678  1647.62    367.793  1544.49    372.388  52.141  6.6651  50.161  7.0487  1.979916       9.700949  
1 1 1 -25 19  21 o 15.976  6.9810  10.033     228.840  148.751    324.416  -127.3482  322.848  20.468  8.6104  16.763  7.7154  3.705212       11.56144  
1 1 1 -25 19  22 o 24.226  8.0636  380.944    247.599  459.651    362.841  312.353    338.719  26.132  9.6699  23.217  9.1513  2.914845       13.31361  
1 1 1 -25 19  23 o 26.334  9.2533  486.658    327.025  486.658    327.025  0.0000     0.0000   26.334  9.2533  ?       ?       0.000000       9.253309  
1 1 1 -25 19  24 o 24.723  9.2506  426.134    333.878  426.134    333.878  0.0000     0.0000   24.723  9.2506  ?       ?       0.000000       9.250606  
1 1 1 -25 19  25 o 21.946  8.9619  284.959    337.167  284.959    337.167  0.0000     0.0000   21.946  8.9619  ?       ?       0.000000       8.961863  
1 1 1 -25 20  1  o 108.205 3.2823  6387.34    384.681  6380.17    510.742  6396.73    584.787  107.839 4.3728  107.761 5.0103  0.7746124E-01  6.650127  
1 1 1 -25 20  2  o 120.041 3.2371  7859.08    420.882  7537.86    564.698  8260.52    631.289  117.195 4.4487  122.569 4.7553  -5.373711      6.511826  
1 1 1 -25 20  3  o 60.402  3.7364  2001.91    243.241  2006.45    313.597  1995.04    385.384  60.205  4.8503  59.679  6.0456  0.5265198      7.750737  
1 1 1 -25 20  4  o 48.372  3.5016  1284.24    182.213  1308.82    213.109  1217.41    351.361  48.721  4.0759  46.088  7.2806  2.633404       8.343826  
1 1 1 -25 20  5  o 39.941  4.5285  886.876    192.443  869.477    213.305  962.997    446.163  39.402  5.1191  39.998  10.251  -0.5959206     11.45847  
1 1 1 -25 20  6  o 34.933  5.3898  689.108    197.370  661.449    222.868  789.662    424.944  33.977  6.2877  36.298  10.320  -2.320805      12.08467  
1 1 1 -25 20  7  o 84.125  3.1127  3859.49    283.612  3614.37    322.041  4706.62    598.685  81.302  3.6571  91.830  6.0532  -10.52783      7.072225  
1 1 1 -25 20  8  o 51.655  4.1282  1472.50    229.032  1412.57    262.328  1664.66    469.733  50.403  4.8658  53.505  8.3808  -3.102341      9.690860  
1 1 1 -25 20  9  o 77.852  3.2874  3310.47    277.197  3281.35    313.927  3413.51    590.567  77.412  3.7441  77.568  7.1084  -0.1567841     8.034180  
1 1 1 -25 20  10 o 66.318  3.6403  2415.18    260.480  2328.97    295.626  2714.46    550.811  64.964  4.2244  68.845  7.5087  -3.880363      8.615435  
1 1 1 -25 20  11 o 33.981  5.7126  659.445    202.791  719.451    225.434  404.938    464.271  35.412  6.0975  28.745  10.876  6.667677       12.46849  
1 1 1 -25 20  12 o 60.608  3.9766  2027.41    259.592  2058.99    297.438  1926.49    531.786  60.907  4.5414  57.010  8.9034  3.897514       9.994731  
1 1 1 -25 20  13 o 93.936  3.2971  4831.15    335.454  4814.15    386.787  4882.73    673.857  93.598  3.8154  92.622  6.7639  0.9761734      7.765805  
1 1 1 -25 20  14 o 73.561  3.5989  2972.19    286.741  2900.77    334.589  3169.70    556.427  72.339  4.2895  74.253  7.0013  -1.913628      8.210901  
1 1 1 -25 20  15 o 45.821  4.7637  1178.67    232.963  1101.63    270.535  1399.69    458.223  43.900  5.8342  47.936  9.1596  -4.035801      10.85987  
1 1 1 -25 20  16 o 50.875  4.3587  1444.91    237.857  1474.27    275.414  1358.75    471.828  51.142  5.0375  46.785  9.6321  4.356148       10.86986  
1 1 1 -25 20  17 o 65.608  2.5382  2352.64    180.365  2018.82    303.759  2534.44    224.160  59.937  4.7172  67.959  3.0454  -8.021358      5.614841  
1 1 1 -25 20  18 o 33.351  6.7480  668.020    235.386  831.820    272.495  186.486    467.214  37.173  7.0254  24.334  10.290  12.83953       12.45958  
1 1 1 -25 20  19 o 36.987  6.7001  828.630    258.531  839.047    304.362  801.641    489.903  36.493  7.9272  33.646  11.343  2.846649       13.83874  
1 1 1 -25 20  20 f 9.9089  3.1085  54.041     37.134   491.524    389.537  50.029     37.304   27.349  10.036  9.6328  3.1262  17.71633       10.51211  
1 1 1 -25 20  21 o 43.324  9.2720  1271.72    421.939  1271.72    421.939  0.0000     0.0000   43.324  9.2720  ?       ?       0.000000       9.271955  
1 1 1 -25 20  22 o 16.663  7.6057  -82.5389   305.015  -82.5389   305.015  0.0000     0.0000   16.663  7.6057  ?       ?       0.000000       7.605725  
1 1 1 -25 20  23 o 47.206  7.2354  1426.06    358.143  1426.06    358.143  0.0000     0.0000   47.206  7.2354  ?       ?       0.000000       7.235426  
1 1 1 -25 20  24 o 24.585  9.5492  417.818    364.365  417.818    364.365  0.0000     0.0000   24.585  9.5492  ?       ?       0.000000       9.549207  
1 1 1 -25 20  25 o 50.899  7.1569  1683.83    383.652  1683.83    383.652  0.0000     0.0000   50.899  7.1569  ?       ?       0.000000       7.156902  
1 1 1 -25 21  1  o 27.416  7.7577  435.912    240.713  78.685     345.245  773.841    335.791  21.380  8.9311  36.185  8.6794  -14.80498      12.45377  
1 1 1 -25 21  2  o 116.781 3.2284  7438.48    408.348  7048.40    545.109  7937.30    616.427  113.318 4.4413  120.141 4.7372  -6.822716      6.493584  
1 1 1 -25 21  3  o 56.559  2.3080  1738.73    141.386  1625.44    241.919  1797.50    174.240  54.313  4.1436  57.458  2.7998  -3.144253      5.000872  
1 1 1 -25 21  4  o 70.460  3.3051  2708.87    252.232  2782.35    283.183  2426.76    554.857  71.252  3.6820  65.077  8.0431  6.175026       8.845873  
1 1 1 -25 21  5  o 103.517 3.0855  5841.91    345.946  5903.65    391.901  5624.02    736.268  103.969 3.4802  100.072 6.8337  3.897263       7.668861  
1 1 1 -25 21  6  o 120.306 3.1882  7895.28    415.436  7960.06    476.367  7689.52    848.971  120.665 3.6449  117.105 6.7215  3.559624       7.646221  
1 1 1 -25 21  7  o 100.175 3.1452  5473.90    341.258  5549.69    390.585  5229.42    701.532  100.759 3.5790  96.451  6.7581  4.307465       7.647255  
1 1 1 -25 21  8  o 87.363  3.2511  4166.94    307.632  4208.80    350.243  4025.61    643.532  87.700  3.6872  84.326  7.1123  3.373268       8.011260  
1 1 1 -25 21  9  o 143.948 3.4197  11327.29   533.161  11357.57   605.515  11222.80   1124.74  143.946 3.8838  140.711 7.4060  3.235001       8.362608  
1 1 1 -25 21  10 o 138.755 3.3338  10524.57   501.019  10395.46   576.167  10924.93   1014.60  137.681 3.8637  139.392 6.7203  -1.711105      7.751824  
1 1 1 -25 21  11 o 72.965  3.4781  2914.80    274.871  2655.58    312.522  3800.36    577.640  69.359  4.1797  81.953  6.5626  -12.59475      7.780615  
1 1 1 -25 21  12 o 105.122 3.2113  6043.88    365.633  5773.42    419.748  6894.58    744.450  102.550 3.7790  110.626 6.2386  -8.075523      7.293902  
1 1 1 -25 21  13 o 57.504  4.0117  1828.79    248.293  1826.41    281.931  1837.01    524.161  57.287  4.5821  55.417  9.0447  1.869392       10.13919  
1 1 1 -25 21  14 o 27.720  2.7473  423.633    81.399   1027.31    235.450  341.688    86.748   42.628  5.2079  24.755  3.3190  17.87299       6.175566  
1 1 1 -25 21  15 o 47.973  4.5802  1287.72    235.096  1244.21    271.710  1417.32    468.928  46.836  5.4585  48.136  9.3312  -1.299305      10.81048  
1 1 1 -25 21  16 o 21.490  7.4412  250.404    211.109  323.969    245.969  44.639     411.368  23.901  8.0376  21.923  9.4710  1.977308       12.42189  
1 1 1 -25 21  17 o 20.608  7.4778  218.762    215.362  224.356    244.514  199.407    454.797  21.268  7.9245  24.626  10.266  -3.358496      12.96856  
1 1 1 -25 21  18 f 68.319  4.0715  2609.98    299.905  2632.08    352.121  2551.57    572.322  68.195  4.7978  64.405  8.4049  3.790405       9.677861  
1 1 1 -25 21  19 o 35.608  7.3316  786.214    273.342  717.893    330.293  934.699    486.931  33.026  8.9917  36.104  11.245  -3.078468      14.39801  
1 1 1 -25 21  20 o 47.666  7.2460  1408.34    362.309  1408.34    362.309  0.0000     0.0000   47.666  7.2460  ?       ?       0.000000       7.245957  
1 1 1 -25 21  21 o 32.390  9.0428  717.104    329.365  717.104    329.365  0.0000     0.0000   32.390  9.0428  ?       ?       0.000000       9.042756  
1 1 1 -25 21  22 o 42.181  7.7333  1150.37    340.289  1150.37    340.289  0.0000     0.0000   42.181  7.7333  ?       ?       0.000000       7.733272  
1 1 1 -25 21  23 o 40.557  8.8474  1140.42    377.708  1140.42    377.708  0.0000     0.0000   40.557  8.8474  ?       ?       0.000000       8.847363  
1 1 1 -25 21  24 o 26.946  9.3905  535.572    336.466  535.572    336.466  0.0000     0.0000   26.946  9.3905  ?       ?       0.000000       9.390536  
1 1 1 -25 21  25 f 37.927  9.5867  1076.67    394.005  1076.67    394.005  0.0000     0.0000   37.927  9.5867  ?       ?       0.000000       9.586685  
1 1 1 -25 22  1  o 40.253  6.1147  919.176    258.201  885.209    374.182  950.051    356.745  38.603  9.0982  40.206  8.4599  -1.603340      12.42369  
1 1 1 -25 22  2  o 95.663  3.8062  5006.13    394.378  4838.26    623.992  5117.80    508.909  93.078  6.2255  96.292  4.8957  -3.213936      7.919885  
1 1 1 -25 22  3  o 92.295  3.1017  4644.10    310.063  4748.95    351.002  4271.64    661.557  93.252  3.4752  87.048  7.0781  6.203804       7.885200  
1 1 1 -25 22  4  o 61.650  3.4010  2081.16    226.218  2075.76    251.259  2104.30    519.810  61.488  3.7912  60.480  8.1422  1.008152       8.981554  
1 1 1 -25 22  5  o 19.344  7.0716  174.074    193.121  59.076     216.054  631.139    430.733  17.283  7.1290  32.952  10.616  -15.66921      12.78745  
1 1 1 -25 22  6  o 68.094  3.3587  2531.61    247.715  2673.32    280.157  2023.83    530.320  69.814  3.7184  59.082  8.5346  10.73175       9.309473  
1 1 1 -25 22  7  o 102.894 3.0731  5774.09    342.480  5611.25    388.465  6342.32    725.663  101.317 3.5400  106.466 6.3213  -5.149742      7.244991  
1 1 1 -25 22  8  o 126.579 3.2087  8746.69    439.907  8645.18    502.857  9077.71    908.041  125.679 3.6941  127.158 6.6160  -1.478798      7.577455  
1 1 1 -25 22  9  o 17.770  6.6521  137.525    172.689  162.821    187.984  0.7881     437.064  18.863  6.9642  22.445  9.7291  -3.581205      11.96476  
1 1 1 -25 22  10 o 32.990  6.0816  625.663    209.302  649.510    234.976  534.078    460.494  33.443  6.7202  31.017  10.972  2.426437       12.86668  
1 1 1 -25 22  11 o 95.394  3.2078  4974.87    331.437  5000.15    377.740  4890.33    690.894  95.503  3.6518  92.775  6.9255  2.728546       7.829336  
1 1 1 -25 22  12 o 14.815  2.7687  123.564    42.794   409.157    220.623  112.399    43.622   26.390  7.4127  14.088  2.9533  12.30266       7.979352  
1 1 1 -25 22  13 o 85.436  3.3581  3999.57    310.745  3936.29    355.104  4206.44    642.068  84.593  3.8757  85.737  6.9747  -1.143433      7.979182  
1 1 1 -25 22  14 o 31.472  6.1524  576.289    202.203  535.086    228.374  725.789    435.010  30.026  7.1287  34.180  10.626  -4.153959      12.79556  
1 1 1 -25 22  15 o 19.770  7.1224  196.444    194.882  176.837    220.893  265.299    413.951  19.822  7.5014  25.283  10.069  -5.460981      12.55583  
1 1 1 -25 22  16 o 34.421  1.8234  646.214    67.737   607.390    254.510  649.174    70.271   31.755  7.5166  34.491  1.8882  -2.736502      7.750113  
1 1 1 -25 22  17 o 37.456  5.5142  808.739    217.012  587.445    245.310  1605.36    465.430  31.123  7.3878  51.127  8.7177  -20.00394      11.42709  
1 1 1 -25 22  18 o 36.708  7.7738  832.802    299.453  832.802    299.453  0.0000     0.0000   36.708  7.7738  ?       ?       0.000000       7.773839  
1 1 1 -25 22  19 o 32.209  9.5665  698.935    358.034  698.935    358.034  0.0000     0.0000   32.209  9.5665  ?       ?       0.000000       9.566502  
1 1 1 -25 22  20 o 17.115  7.8740  -132.4446  335.726  -132.4446  335.726  0.0000     0.0000   17.115  7.8740  ?       ?       0.000000       7.873969  
1 1 1 -25 22  21 o 27.530  9.5468  516.136    347.553  516.136    347.553  0.0000     0.0000   27.530  9.5468  ?       ?       0.000000       9.546828  
1 1 1 -25 22  22 f 17.705  8.0394  -53.7031   335.243  -53.7031   335.243  0.0000     0.0000   17.705  8.0394  ?       ?       0.000000       8.039358  
1 1 1 -25 22  23 o 25.036  9.1823  429.632    325.984  429.632    325.984  0.0000     0.0000   25.036  9.1823  ?       ?       0.000000       9.182298  
1 1 1 -25 22  24 o 23.570  9.4170  364.006    363.235  364.006    363.235  0.0000     0.0000   23.570  9.4170  ?       ?       0.000000       9.417047  
1 1 1 -25 22  25 o 38.311  8.8130  1047.45    358.076  1047.45    358.076  0.0000     0.0000   38.311  8.8130  ?       ?       0.000000       8.812985  
1 1 1 -25 23  1  o 55.619  3.9268  1701.87    235.032  1624.95    303.712  1816.71    371.095  54.005  5.2590  56.860  6.1222  -2.855183      8.070815  
1 1 1 -25 23  2  o 70.140  3.4292  2686.48    260.517  2607.50    325.009  2828.42    435.716  68.788  4.3851  71.243  5.6943  -2.454773      7.187077  
1 1 1 -25 23  3  o 72.309  3.1828  2851.89    249.273  2706.11    278.465  3439.85    559.248  70.261  3.6720  78.220  6.6646  -7.959328      7.609245  
1 1 1 -25 23  4  o 101.714 3.1285  5641.83    344.658  5776.17    392.187  5186.15    722.294  102.822 3.5216  95.969  6.9970  6.852913       7.833251  
1 1 1 -25 23  5  o 98.196  2.9111  5253.79    309.616  5249.06    378.510  5263.37    538.239  98.003  3.5659  97.543  5.1124  0.4591217      6.233126  
1 1 1 -25 23  6  o 102.436 3.2174  5725.94    356.971  6116.79    408.324  4458.63    735.258  105.784 3.5638  88.507  7.7479  17.27655       8.528260  
1 1 1 -25 23  7  o 112.262 3.1204  6875.90    379.415  6851.13    430.673  6961.76    801.894  111.937 3.5523  111.314 6.6821  0.6230469      7.567628  
1 1 1 -25 23  8  o 28.464  6.1101  467.970    182.737  575.616    199.520  -92.3399   455.201  31.658  6.0391  21.815  9.6760  9.843662       11.40594  
1 1 1 -25 23  9  o 68.274  2.4864  2537.30    183.860  2302.48    276.135  2724.31    246.427  64.667  3.9616  70.622  3.2216  -5.955162      5.106154  
1 1 1 -25 23  10 o 47.406  4.3556  1247.19    221.136  1223.12    247.980  1340.68    488.658  46.772  4.9713  47.036  9.9049  -0.2640076     11.08244  
1 1 1 -25 23  11 o 47.059  2.1673  1204.53    110.465  1127.15    253.026  1222.75    122.784  44.744  5.3257  47.330  2.4031  -2.585873      5.842791  
1 1 1 -25 23  12 o 66.885  3.6083  2460.61    260.430  2419.27    295.266  2605.46    552.682  66.158  4.1415  67.039  7.7547  -0.8814240     8.791317  
1 1 1 -25 23  13 o 80.430  3.4383  3547.36    299.527  3515.99    342.348  3649.76    618.516  79.914  3.9553  79.624  7.2514  0.2892761      8.259949  
1 1 1 -25 23  14 o 22.619  7.5706  284.364    218.205  336.844    254.670  139.456    423.182  24.439  8.1788  23.616  9.8784  0.8229465      12.82481  
1 1 1 -25 23  15 o 26.209  6.9093  407.217    198.920  400.143    225.286  432.241    423.746  25.976  7.5542  28.254  10.451  -2.278479      12.89532  
1 1 1 -25 23  16 o 12.703  5.8847  -144.5070  192.272  -169.8074  219.359  -60.6194   399.430  13.458  6.2521  20.297  9.0304  -6.839272      10.98348  
1 1 1 -25 23  17 o 40.821  6.2675  974.657    268.254  974.657    268.254  0.0000     0.0000   40.821  6.2675  ?       ?       0.000000       6.267486  
1 1 1 -25 23  18 o 36.301  7.5605  811.847    287.603  811.847    287.603  0.0000     0.0000   36.301  7.5605  ?       ?       0.000000       7.560451  
1 1 1 -25 23  19 o 27.305  9.0514  483.709    312.092  483.709    312.092  0.0000     0.0000   27.305  9.0514  ?       ?       0.000000       9.051363  
1 1 1 -25 23  20 o 29.014  9.4787  571.435    342.720  571.435    342.720  0.0000     0.0000   29.014  9.4787  ?       ?       0.000000       9.478741  
1 1 1 -25 23  21 o 39.776  7.1624  993.462    297.219  1063.26    359.210  841.942    529.260  40.054  8.5408  32.836  11.747  7.217415       14.52387  
1 1 1 -25 23  22 o 45.511  7.2988  1316.45    347.618  1316.45    347.618  0.0000     0.0000   45.511  7.2988  ?       ?       0.000000       7.298779  
1 1 1 -25 23  23 o 16.371  7.5377  -97.8445   308.524  -97.8445   308.524  0.0000     0.0000   16.371  7.5377  ?       ?       0.000000       7.537684  
1 1 1 -25 23  24 o 17.233  7.8464  -35.8503   322.094  -35.8503   322.094  0.0000     0.0000   17.233  7.8464  ?       ?       0.000000       7.846372  
1 1 1 -25 23  25 o 30.097  9.8430  704.314    369.531  704.314    369.531  0.0000     0.0000   30.097  9.8430  ?       ?       0.000000       9.842999  
1 1 1 -25 24  1  o 74.742  3.7646  3063.89    303.780  3060.36    361.526  3072.37    560.308  74.498  4.5016  73.678  7.1096  0.8198471      8.414968  
1 1 1 -25 24  2  o 90.300  4.5008  4480.26    440.194  4503.97    597.859  4452.19    650.527  89.772  6.1865  88.966  6.8026  0.8057938      9.195045  
1 1 1 -25 24  3  o 72.804  3.7889  2907.69    297.739  2802.47    350.578  3179.98    563.961  71.265  4.5659  75.017  7.0227  -3.752121      8.376508  
1 1 1 -25 24  4  o 37.097  5.2028  773.707    203.301  760.214    227.293  827.693    454.631  36.570  5.9425  37.061  10.718  -0.4910507     12.25498  
1 1 1 -25 24  5  o 73.446  3.3102  2944.73    263.324  3046.53    296.724  2567.35    571.291  74.636  3.6706  66.875  8.0489  7.761482       8.846297  
1 1 1 -25 24  6  o 88.673  3.3003  4293.16    316.971  4583.54    362.245  3344.39    654.780  91.538  3.6537  76.387  8.0346  15.15115       8.826321  
1 1 1 -25 24  7  o 59.665  4.0267  1960.71    258.697  1919.73    297.291  2088.52    525.028  58.856  4.7029  60.042  8.2949  -1.185905      9.535355  
1 1 1 -25 24  8  o 75.260  3.3805  3095.72    275.558  3013.52    312.268  3384.96    585.762  74.041  3.9078  77.224  7.0821  -3.183403      8.088698  
1 1 1 -25 24  9  o 37.444  4.8723  786.634    192.922  780.267    211.797  817.655    467.504  37.139  5.4253  36.607  10.945  0.5324936      12.21587  
1 1 1 -25 24  10 o 85.102  2.7541  3948.80    253.856  3953.00    329.573  3942.68    398.062  84.949  3.5820  84.499  4.3643  0.4499741      5.646026  
1 1 1 -25 24  11 o 20.719  7.2966  220.456    203.426  161.395    229.238  439.305    441.274  19.784  7.6046  28.964  10.674  -9.180161      13.10605  
1 1 1 -25 24  12 o 44.017  4.5281  1081.29    212.798  868.431    236.376  1991.45    488.782  39.025  5.7660  58.401  7.9324  -19.37663      9.806631  
1 1 1 -25 24  13 o 66.577  2.4845  2416.44    179.161  2109.19    282.003  2624.39    231.997  61.672  4.2477  69.257  3.0928  -7.584892      5.254339  
1 1 1 -25 24  14 o 62.124  2.6236  2106.54    176.533  2118.65    303.493  2100.34    217.025  61.656  4.5774  61.821  3.2526  -0.1655006     5.615300  
1 1 1 -25 24  15 o 70.685  4.0961  2769.44    312.244  2840.51    377.592  2615.72    555.300  71.228  4.9247  66.708  7.8349  4.520615       9.254032  
1 1 1 -25 24  16 o 55.068  5.3595  1720.96    315.613  1720.96    315.613  0.0000     0.0000   55.068  5.3595  ?       ?       0.000000       5.359465  
1 1 1 -25 24  17 o 18.075  7.6115  62.531     253.920  62.531     253.920  0.0000     0.0000   18.075  7.6115  ?       ?       0.000000       7.611453  
1 1 1 -25 24  18 o 16.989  7.2600  38.254     236.829  38.254     236.829  0.0000     0.0000   16.989  7.2600  ?       ?       0.000000       7.259987  
1 1 1 -25 24  19 o 41.142  8.0630  1076.91    346.448  1076.91    346.448  0.0000     0.0000   41.142  8.0630  ?       ?       0.000000       8.062969  
1 1 1 -25 24  20 o 33.838  7.2667  721.253    258.372  864.272    299.950  309.970    508.654  36.772  7.7742  25.332  10.726  11.44009       13.24695  
1 1 1 -25 24  21 o 29.172  7.4559  549.385    236.466  612.109    315.116  468.538    357.755  29.869  8.9984  26.461  9.6323  3.408590       13.18149  
1 1 1 -25 24  22 o 16.816  7.6369  -59.0551   302.625  -59.0551   302.625  0.0000     0.0000   16.816  7.6369  ?       ?       0.000000       7.636864  
1 1 1 -25 24  23 o 36.381  9.3827  957.346    372.126  957.346    372.126  0.0000     0.0000   36.381  9.3827  ?       ?       0.000000       9.382669  
1 1 1 -25 24  24 o 23.292  9.0803  357.556    330.390  357.556    330.390  0.0000     0.0000   23.292  9.0803  ?       ?       0.000000       9.080259  
1 1 1 -25 25  1  o 71.656  3.1806  2801.37    246.848  2756.52    274.264  2992.65    566.403  70.922  3.5820  72.603  7.3018  -1.681328      8.133059  
1 1 1 -25 25  2  o 87.300  3.6513  4167.52    345.246  4106.15    411.856  4312.56    633.180  86.354  4.4182  87.570  6.7272  -1.215683      8.048380  
1 1 1 -25 25  3  f 84.726  3.6987  3926.28    339.415  3878.92    405.113  4037.84    621.712  83.908  4.4738  84.669  6.8378  -0.7617722     8.171268  
1 1 1 -25 25  4  f 53.156  2.2978  1536.12    132.290  1478.87    249.826  1558.43    155.949  51.684  4.5080  53.433  2.7034  -1.749016      5.256444  
1 1 1 -25 25  5  o 81.163  3.1760  3594.50    279.193  3371.72    314.724  4417.43    604.875  78.502  3.7015  88.784  6.3317  -10.28169      7.334241  
1 1 1 -25 25  6  o 39.715  5.1700  885.382    217.119  893.464    244.402  855.129    472.885  39.706  5.8591  37.522  10.954  2.183456       12.42246  
1 1 1 -25 25  7  o 41.518  5.0785  965.796    223.609  1120.25    253.761  429.281    472.959  44.681  5.3500  29.435  11.011  15.24565       12.24172  
1 1 1 -25 25  8  f 108.710 3.1922  6453.72    375.868  6616.52    428.417  5909.54    783.276  109.950 3.5975  102.131 7.1255  7.818123       7.982159  
1 1 1 -25 25  9  o 95.130  3.3707  4948.95    347.298  4919.93    400.401  5037.11    697.867  94.694  3.9039  94.316  6.8790  0.3779907      7.909547  
1 1 1 -25 25  10 o 34.340  5.3568  669.573    192.738  675.362    211.820  641.719    464.660  34.330  5.9100  32.973  11.048  1.356564       12.52897  
1 1 1 -25 25  11 o 38.391  5.1272  831.515    207.873  779.113    230.673  1057.98    479.535  36.881  5.9794  41.252  10.657  -4.371540      12.21979  
1 1 1 -25 25  12 o 25.589  6.9431  384.546    197.333  424.605    218.827  210.157    456.573  26.824  7.3254  25.404  10.407  1.420551       12.72701  
1 1 1 -25 25  13 o 95.930  3.3148  5043.67    344.413  4955.85    396.142  5315.59    697.087  94.892  3.8543  96.521  6.7097  -1.628578      7.737958  
1 1 1 -25 25  14 o 67.194  4.7316  2519.53    342.158  2519.53    342.158  0.0000     0.0000   67.194  4.7316  ?       ?       0.000000       4.731586  
1 1 1 -25 25  15 o 64.338  4.6411  2312.45    321.241  2312.45    321.241  0.0000     0.0000   64.338  4.6411  ?       ?       0.000000       4.641074  
1 1 1 -25 25  16 o 55.444  5.3405  1745.17    316.744  1745.17    316.744  0.0000     0.0000   55.444  5.3405  ?       ?       0.000000       5.340540  
1 1 1 -25 25  17 o 20.241  7.7439  191.153    237.028  191.153    237.028  0.0000     0.0000   20.241  7.7439  ?       ?       0.000000       7.743938  
1 1 1 -25 25  18 o 57.373  2.4443  1803.79    151.890  1648.29    285.595  1865.13    179.360  53.670  4.9694  58.219  2.8444  -4.548988      5.725905  
1 1 1 -25 25  19 o 48.802  5.4097  1391.21    281.132  1700.88    331.571  599.266    530.245  53.734  5.7885  29.708  11.525  24.02657       12.89693  
1 1 1 -25 25  20 o 21.124  8.1044  238.243    260.061  368.141    308.341  -81.8897   484.054  24.422  8.9344  20.747  9.5116  3.674444       13.04969  
1 1 1 -25 25  21 o 32.755  7.9447  704.277    278.959  884.335    349.218  386.800    463.709  35.958  8.9906  25.561  10.482  10.39655       13.80964  
1 1 1 -25 25  22 o 24.069  9.3154  366.370    345.787  366.370    345.787  0.0000     0.0000   24.069  9.3154  ?       ?       0.000000       9.315409  
1 1 1 -25 25  23 o 18.054  8.0137  34.095     312.780  34.095     312.780  0.0000     0.0000   18.054  8.0137  ?       ?       0.000000       8.013651  
1 1 1 -25 25  24 o 31.553  9.7588  760.336    367.446  760.336    367.446  0.0000     0.0000   31.553  9.7588  ?       ?       0.000000       9.758751  
1 1 1 -25 26  1  o 60.503  3.5065  2007.34    228.797  2030.12    254.059  1909.58    526.303  60.762  3.8807  57.196  8.7760  3.566536       9.595725  
1 1 1 -25 26  2  o 64.489  4.0406  2288.31    280.801  2461.50    331.652  1849.82    527.708  66.737  4.6166  56.205  8.9701  10.53121       10.08844  
1 1 1 -25 26  3  o 80.714  4.8820  3603.39    424.785  3418.91    568.130  3837.27    639.692  77.851  6.8061  82.292  7.2511  -4.440422      9.944948  
1 1 1 -25 26  4  o 40.035  4.8459  895.502    205.848  971.239    230.261  594.081    459.358  41.617  5.2234  32.325  10.984  9.291878       12.16234  
1 1 1 -25 26  5  o 36.617  5.1749  754.650    199.518  613.015    221.335  1368.74    460.869  32.589  6.4985  48.070  9.1867  -15.48100      11.25285  
1 1 1 -25 26  6  o 64.341  3.7397  2273.86    259.487  2114.83    295.157  2815.10    544.519  61.864  4.4344  70.337  7.2515  -8.472973      8.499907  
1 1 1 -25 26  7  o 31.337  6.1083  565.176    199.875  598.814    221.954  420.887    459.690  32.150  6.5953  29.094  10.861  3.055586       12.70639  
1 1 1 -25 26  8  o 81.061  3.4336  3593.61    301.466  3667.34    345.362  3357.61    617.882  81.773  3.8994  76.621  7.5432  5.151993       8.491441  
1 1 1 -25 26  9  o 130.396 3.3248  9297.86    469.569  9099.25    539.117  9922.11    955.789  128.777 3.8652  132.627 6.6750  -3.850021      7.713328  
1 1 1 -25 26  10 o 24.618  7.6647  347.153    226.243  339.635    261.330  369.647    452.038  24.746  8.2850  27.937  10.693  -3.191031      13.52697  
1 1 1 -25 26  11 o 68.768  3.8650  2605.97    286.706  2498.08    331.583  2925.59    570.719  67.087  4.5909  71.246  7.5090  -4.159340      8.801205  
1 1 1 -25 26  12 o 41.362  4.6349  958.137    204.070  1007.00    225.229  734.136    482.257  42.300  5.0136  34.559  11.242  7.741058       12.30905  
1 1 1 -25 26  13 o 33.563  7.2164  666.763    254.536  666.763    254.536  0.0000     0.0000   33.563  7.2164  ?       ?       0.000000       7.216424  
1 1 1 -25 26  14 o 49.774  5.1736  1396.57    274.836  1396.57    274.836  0.0000     0.0000   49.774  5.1736  ?       ?       0.000000       5.173629  
1 1 1 -25 26  15 o 54.673  5.2797  1689.75    308.753  1689.75    308.753  0.0000     0.0000   54.673  5.2797  ?       ?       0.000000       5.279685  
1 1 1 -25 26  16 o 42.177  6.0053  1029.86    266.585  1029.86    266.585  0.0000     0.0000   42.177  6.0053  ?       ?       0.000000       6.005324  
1 1 1 -25 26  17 o 31.796  6.3622  602.443    211.457  667.315    238.908  367.822    454.345  33.286  6.8550  26.741  10.580  6.544994       12.60679  
1 1 1 -25 26  18 o 46.266  5.1221  1234.09    252.366  1206.67    290.571  1318.30    509.151  45.196  6.0910  43.624  10.827  1.572201       12.42256  
1 1 1 -25 26  19 o 48.144  5.2524  1349.97    269.443  1416.00    312.134  1156.91    533.751  48.792  6.0351  39.259  11.685  9.532818       13.15153  
1 1 1 -25 26  20 o 19.788  7.6446  197.789    232.541  201.576    274.622  188.192    437.136  20.577  8.1989  22.894  9.8254  -2.316729      12.79686  
1 1 1 -25 26  21 o 38.383  6.7624  916.049    270.862  922.176    329.045  903.173    477.047  37.282  8.3555  34.264  11.183  3.017815       13.95939  
1 1 1 -25 26  22 o 14.712  6.9658  -232.6173  295.321  -232.6173  295.321  0.0000     0.0000   14.712  6.9658  ?       ?       0.000000       6.965840  
1 1 1 -25 26  23 o 37.887  9.0996  1021.12    368.724  1021.12    368.724  0.0000     0.0000   37.887  9.0996  ?       ?       0.000000       9.099646  
1 1 1 -25 26  24 o 39.936  8.4408  1103.62    353.683  1103.62    353.683  0.0000     0.0000   39.936  8.4408  ?       ?       0.000000       8.440819  
1 1 1 -25 27  1  o 56.739  3.7243  1769.44    227.605  1678.94    249.194  2224.91    559.032  55.151  4.2034  61.880  8.5711  -6.729465      9.546317  
1 1 1 -25 27  2  f 113.694 3.1060  7052.00    382.477  7049.49    430.835  7061.34    830.908  113.560 3.5028  111.984 6.8839  1.575989       7.723858  
1 1 1 -25 27  3  o 118.657 3.5842  7699.84    460.638  7577.07    567.142  7937.82    789.620  117.394 4.4604  119.217 6.1360  -1.823128      7.585869  
1 1 1 -25 27  4  o 49.898  4.8805  1385.40    260.386  1671.97    308.067  668.534    487.242  54.748  5.2600  33.887  11.313  20.86080       12.47603  
1 1 1 -25 27  5  o 38.072  4.8719  811.730    196.289  897.345    216.619  418.777    464.078  39.994  5.1182  29.161  10.907  10.83261       12.04829  
1 1 1 -25 27  6  o 52.343  3.9613  1510.58    222.912  1552.84    248.574  1337.02    503.742  52.973  4.3715  47.007  10.188  5.965263       11.08635  
1 1 1 -25 27  7  o 89.104  3.2995  4338.21    318.435  4332.77    363.311  4356.26    661.428  88.927  3.7720  87.680  7.0238  1.247772       7.972613  
1 1 1 -25 27  8  o 60.251  2.5662  1977.04    167.467  2026.96    276.868  1948.24    210.298  60.571  4.2471  59.620  3.2692  0.9511414      5.359626  
1 1 1 -25 27  9  f 30.572  6.7114  545.502    216.138  557.830    244.017  500.607    465.655  30.760  7.4118  30.395  11.001  0.3650055      13.26462  
1 1 1 -25 27  10 o 65.344  3.6904  2349.05    260.117  2404.04    294.210  2152.19    556.692  65.975  4.1382  60.414  8.7634  5.561714       9.691335  
1 1 1 -25 27  11 o 47.437  4.6203  1255.28    234.375  1176.01    265.370  1536.40    499.743  45.631  5.4789  50.425  9.4986  -4.793896      10.96550  
1 1 1 -25 27  12 o 77.542  4.9173  3351.83    410.848  3351.83    410.848  0.0000     0.0000   77.542  4.9173  ?       ?       0.000000       4.917311  
1 1 1 -25 27  13 o 84.394  4.6755  3962.39    425.708  3962.39    425.708  0.0000     0.0000   84.394  4.6755  ?       ?       0.000000       4.675540  
1 1 1 -25 27  14 o 20.713  7.5594  212.724    220.550  212.724    220.550  0.0000     0.0000   20.713  7.5594  ?       ?       0.000000       7.559410  
1 1 1 -25 27  15 o 26.911  7.7734  434.589    239.272  434.589    239.272  0.0000     0.0000   26.911  7.7734  ?       ?       0.000000       7.773358  
1 1 1 -25 27  16 o 44.421  4.9775  1119.87    235.364  1186.49    269.389  904.978    483.814  45.477  5.5866  36.981  11.152  8.495853       12.47293  
1 1 1 -25 27  17 o 33.765  1.5433  620.029    56.440   395.070    258.052  631.331    57.841   25.479  8.2178  34.069  1.5675  -8.590874      8.365907  
1 1 1 -25 27  18 o 21.479  7.5035  265.912    214.886  274.405    246.146  238.702    440.598  22.049  7.9953  24.103  10.081  -2.053905      12.86648  
1 1 1 -25 27  19 o 25.734  8.0020  423.180    246.684  291.859    295.015  728.410    449.771  22.798  8.6591  31.878  10.868  -9.080002      13.89594  
1 1 1 -25 27  20 o 25.552  1.6689  357.604    45.935   348.909    274.461  357.855    46.592   23.744  8.4631  25.557  1.6928  -1.813353      8.630755  
1 1 1 -25 27  21 o 40.321  7.8331  1052.23    329.755  1052.23    329.755  0.0000     0.0000   40.321  7.8331  ?       ?       0.000000       7.833082  
1 1 1 -25 27  22 f 16.470  7.6340  -133.0672  324.240  -133.0672  324.240  0.0000     0.0000   16.470  7.6340  ?       ?       0.000000       7.634002  
1 1 1 -25 27  23 o 36.682  8.7030  941.101    340.567  941.101    340.567  0.0000     0.0000   36.682  8.7030  ?       ?       0.000000       8.702993  
1 1 1 -25 27  24 o 27.298  9.7396  560.859    363.584  560.859    363.584  0.0000     0.0000   27.298  9.7396  ?       ?       0.000000       9.739608  
1 1 1 -25 28  1  o 38.047  4.7238  809.233    190.473  843.757    205.039  591.820    514.539  38.792  4.9962  32.666  11.594  6.125896       12.62440  
1 1 1 -25 28  2  o 29.667  5.6495  503.648    174.902  550.671    187.352  184.719    487.925  31.018  5.7896  25.973  10.713  5.045273       12.17769  
1 1 1 -25 28  3  o 27.849  7.2733  453.219    221.779  485.858    248.662  326.281    490.384  28.786  7.7872  28.058  11.027  0.7271900      13.49904  
1 1 1 -25 28  4  o 47.600  5.2461  1267.65    265.972  1369.57    317.493  1027.81    487.042  49.238  6.0827  40.971  10.816  8.267372       12.40936  
1 1 1 -25 28  5  o 69.001  3.5398  2610.82    263.658  2609.92    299.222  2613.93    557.599  68.863  4.0293  67.488  7.7701  1.374718       8.752688  
1 1 1 -25 28  6  o 31.619  5.8781  573.078    193.894  587.816    213.688  504.397    461.287  31.891  6.4088  30.569  10.964  1.322248       12.69941  
1 1 1 -25 28  7  o 24.800  7.2370  355.409    206.449  385.775    231.653  238.198    455.127  25.826  7.7006  26.042  10.493  -0.2163219     13.01534  
1 1 1 -25 28  8  o 38.576  5.5420  842.946    224.907  925.690    255.321  556.388    475.144  40.305  6.0343  31.524  11.146  8.780893       12.67470  
1 1 1 -25 28  9  o 36.279  5.7379  750.382    217.969  677.765    244.566  1030.83    480.621  34.102  6.8590  40.785  10.734  -6.682827      12.73830  
1 1 1 -25 28  10 f 36.098  6.2292  750.155    234.746  893.876    270.119  306.679    474.493  39.362  6.5674  27.231  10.800  12.13063       12.64012  
1 1 1 -25 28  11 o 38.924  8.0263  900.874    327.133  900.874    327.133  0.0000     0.0000   38.924  8.0263  ?       ?       0.000000       8.026268  
1 1 1 -25 28  12 o 42.888  6.5544  1062.37    294.801  1062.37    294.801  0.0000     0.0000   42.888  6.5544  ?       ?       0.000000       6.554409  
1 1 1 -25 28  13 o 62.208  5.5381  2183.37    369.238  2183.37    369.238  0.0000     0.0000   62.208  5.5381  ?       ?       0.000000       5.538072  
1 1 1 -25 28  14 o 54.760  5.4466  1696.09    318.754  1696.09    318.754  0.0000     0.0000   54.760  5.4466  ?       ?       0.000000       5.446616  
1 1 1 -25 28  15 o 22.399  7.6140  279.909    220.744  177.854    254.489  590.008    443.610  20.501  7.9756  31.105  10.786  -10.60468      13.41427  
1 1 1 -25 28  16 o 19.799  7.4496  186.951    217.120  127.964    249.046  373.787    443.236  19.219  7.7555  26.975  10.517  -7.755148      13.06721  
1 1 1 -25 28  17 o 34.253  5.9206  691.646    211.702  575.008    250.419  983.817    396.336  30.448  7.6135  38.861  9.4968  -8.412973      12.17193  
1 1 1 -25 28  18 o 24.459  7.0383  370.065    196.497  340.857    230.222  448.428    377.097  23.600  7.7717  26.800  9.8689  -3.200127      12.56160  
1 1 1 -25 28  19 o 37.434  6.5554  853.906    256.101  855.860    304.575  849.190    473.146  36.584  7.9164  34.046  11.138  2.538494       13.66468  
1 1 1 -25 28  20 o 17.124  7.5493  4.4821     272.994  207.491    352.028  -301.7931  432.390  21.862  9.0656  17.776  8.4200  4.085842       12.37265  
1 1 1 -25 28  21 o 34.380  9.0832  818.232    343.297  818.232    343.297  0.0000     0.0000   34.380  9.0832  ?       ?       0.000000       9.083157  
1 1 1 -25 28  22 o 15.936  7.3479  -110.8339  294.591  -110.8339  294.591  0.0000     0.0000   15.936  7.3479  ?       ?       0.000000       7.347917  
1 1 1 -25 28  23 o 16.514  7.5755  -77.1512   307.726  -77.1512   307.726  0.0000     0.0000   16.514  7.5755  ?       ?       0.000000       7.575531  
1 1 1 -25 28  24 o 20.862  8.9022  195.610    355.158  195.610    355.158  0.0000     0.0000   20.862  8.9022  ?       ?       0.000000       8.902164  
1 1 1 -25 29  1  o 69.248  3.4186  2621.34    256.404  2584.70    281.576  2799.24    620.406  68.584  3.8055  69.524  8.4099  -0.9402237     9.230834  
1 1 1 -25 29  2  o 47.409  4.0053  1241.23    203.744  1242.93    221.644  1231.96    517.511  47.355  4.3706  44.847  10.786  2.508160       11.63793  
1 1 1 -25 29  3  o 30.720  5.6051  539.043    179.628  561.823    192.831  389.574    493.938  31.300  5.9045  29.061  11.165  2.239023       12.62973  
1 1 1 -25 29  4  o 29.007  8.7369  491.397    297.091  341.154    393.989  689.426    452.326  26.758  10.042  34.063  10.869  -7.305758      14.79742  
1 1 1 -25 29  5  o 121.286 3.2505  8034.98    426.998  8224.78    489.268  7428.45    874.625  122.561 3.6857  114.611 7.0804  7.950127       7.982267  
1 1 1 -25 29  6  o 133.626 3.3350  9759.37    482.681  9927.39    553.206  9223.56    987.916  134.590 3.7949  127.625 7.1760  6.964996       8.117649  
1 1 1 -25 29  7  o 103.887 3.2243  5897.10    362.805  6090.58    413.033  5243.54    759.098  105.457 3.6161  95.941  7.3611  9.515526       8.201373  
1 1 1 -25 29  8  o 137.550 3.4423  10354.96   512.835  10676.30   586.323  9308.67    1057.97  139.470 3.8814  127.573 7.6927  11.89640       8.616463  
1 1 1 -25 29  9  o 108.938 3.2984  6491.73    389.188  6396.21    446.534  6793.60    793.831  107.950 3.8191  109.549 6.7228  -1.599342      7.731887  
1 1 1 -25 29  10 f 26.606  8.8744  400.606    299.837  400.606    299.837  0.0000     0.0000   26.606  8.8744  ?       ?       0.000000       8.874354  
1 1 1 -25 29  11 o 93.464  4.5935  4833.73    465.009  4833.73    465.009  0.0000     0.0000   93.464  4.5935  ?       ?       0.000000       4.593540  
1 1 1 -25 29  12 o 98.310  4.7470  5362.50    505.459  5362.50    505.459  0.0000     0.0000   98.310  4.7470  ?       ?       0.000000       4.747006  
1 1 1 -25 29  13 f 39.397  6.8405  906.438    281.303  906.438    281.303  0.0000     0.0000   39.397  6.8405  ?       ?       0.000000       6.840516  
1 1 1 -25 29  14 o 18.260  7.2543  117.862    214.408  131.429    241.729  67.818     464.265  19.278  7.6888  23.393  10.084  -4.114929      12.68068  
1 1 1 -25 29  15 o 21.510  7.8308  237.864    236.459  250.617    276.698  203.333    455.314  22.488  8.4200  24.807  10.300  -2.318451      13.30391  
1 1 1 -25 29  16 o 28.997  7.3085  511.795    229.459  494.484    284.695  543.889    387.641  28.278  8.5607  29.578  10.090  -1.299435      13.23196  
1 1 1 -25 29  17 o 17.807  7.2084  109.906    215.887  68.077     266.548  189.672    368.080  18.338  7.7644  22.497  9.2947  -4.159203      12.11104  
1 1 1 -25 29  18 o 19.151  7.6412  156.049    238.830  88.056     311.847  252.504    371.424  19.526  8.3372  23.196  9.4316  -3.670095      12.58826  
1 1 1 -25 29  19 o 15.500  6.9530  -51.2949   242.050  -64.1567   305.132  -29.4636   397.536  17.136  7.7361  19.701  8.8681  -2.565275      11.76817  
1 1 1 -25 29  20 o 13.682  6.5066  -254.8232  263.216  -395.8684  334.875  -26.8187   425.771  14.610  7.0500  20.110  9.1032  -5.499990      11.51390  
1 1 1 -25 29  21 o 29.474  9.5198  615.294    346.211  615.294    346.211  0.0000     0.0000   29.474  9.5198  ?       ?       0.000000       9.519799  
1 1 1 -25 29  22 o 19.749  8.3228  152.630    303.979  152.630    303.979  0.0000     0.0000   19.749  8.3228  ?       ?       0.000000       8.322832  
1 1 1 -25 29  23 o 47.114  7.8198  1473.26    385.052  1473.26    385.052  0.0000     0.0000   47.114  7.8198  ?       ?       0.000000       7.819788  
1 1 1 -25 29  24 o 42.526  8.1148  1227.08    360.134  1227.08    360.134  0.0000     0.0000   42.526  8.1148  ?       ?       0.000000       8.114793  
1 1 1 -25 30  1  o 90.036  3.1161  4425.10    303.874  4292.30    335.696  5027.59    715.037  88.583  3.4989  94.209  7.0589  -5.625916      7.878441  
1 1 1 -25 30  2  o 116.260 3.1528  7379.15    397.006  7486.64    448.659  6991.29    852.250  116.980 3.5411  111.148 7.1167  5.832024       7.949016  
1 1 1 -25 30  3  o 20.148  1.6226  221.723    35.108   137.243    185.596  224.858    35.754   18.120  6.8714  20.289  1.6411  -2.168995      7.064677  
1 1 1 -25 30  4  f 40.505  5.4676  925.328    233.739  1120.54    269.270  328.604    470.788  44.563  5.7102  27.724  10.830  16.83956       12.24355  
1 1 1 -25 30  5  o 40.210  6.3756  924.916    268.402  912.768    324.408  951.276    477.864  39.437  7.8705  39.345  10.858  0.9241867E-01  13.41086  
1 1 1 -25 30  6  o 87.657  2.9013  4191.06    275.455  4391.71    353.778  3882.15    438.964  89.545  3.6477  83.693  4.8635  5.852272       6.079411  
1 1 1 -25 30  7  o 76.703  3.3537  3217.79    278.618  3391.21    314.276  2581.06    602.215  78.662  3.6887  66.482  8.5622  12.17972       9.323022  
1 1 1 -25 30  8  o 57.434  3.8510  1818.30    238.176  1941.86    266.053  1319.62    534.480  59.274  4.1707  46.141  10.873  13.13318       11.64553  
1 1 1 -25 30  9  o 73.992  4.6792  3037.44    373.066  3037.44    373.066  0.0000     0.0000   73.992  4.6792  ?       ?       0.000000       4.679196  
1 1 1 -25 30  10 o 38.263  7.2846  858.187    290.869  858.187    290.869  0.0000     0.0000   38.263  7.2846  ?       ?       0.000000       7.284623  
1 1 1 -25 30  11 o 47.800  6.2008  1305.89    313.470  1305.89    313.470  0.0000     0.0000   47.800  6.2008  ?       ?       0.000000       6.200824  
1 1 1 -25 30  12 o 57.424  2.8987  1806.78    179.710  2371.99    337.375  1582.88    212.342  65.192  4.8121  53.544  3.6839  11.64799       6.060273  
1 1 1 -25 30  13 o 45.171  2.0830  1110.52    101.910  902.945    300.959  1137.40    108.309  39.089  7.3791  45.703  2.1880  -6.614079      7.696659  
1 1 1 -25 30  14 o 30.738  1.8048  515.531    59.823   516.924    276.402  515.463    61.275   29.194  8.3311  30.730  1.8496  -1.535950      8.533914  
1 1 1 -25 30  15 o 44.099  4.8682  1100.14    228.647  1045.09    272.403  1231.43    420.645  42.466  6.0973  44.592  9.0192  -2.125973      10.88686  
1 1 1 -25 30  16 o 21.093  7.7980  228.798    235.853  163.806    302.025  330.372    377.574  21.011  8.5188  25.259  9.7459  -4.248718      12.94423  
1 1 1 -25 30  17 o 7.0881  2.9312  8.0243     36.657   619.572    305.344  -0.9185    36.924   30.999  8.7253  6.6921  2.8634  24.30696       9.183149  
1 1 1 -25 30  18 o 60.329  4.1264  2056.27    268.010  2311.84    323.362  1495.46    479.006  63.578  4.7297  47.230  9.6887  16.34772       10.78150  
1 1 1 -25 30  19 o 28.991  7.8626  542.549    253.123  614.681    329.758  439.087    394.933  30.139  9.2321  26.397  10.021  3.741667       13.62504  
1 1 1 -25 30  20 o 28.978  8.7810  567.955    299.432  757.864    391.848  301.429    464.211  32.481  10.083  24.516  10.306  7.965858       14.41784  
1 1 1 -25 30  21 o 19.679  8.8281  18.797     390.224  18.797     390.224  0.0000     0.0000   19.679  8.8281  ?       ?       0.000000       8.828089  
1 1 1 -25 30  22 o 28.448  10.362  608.896    414.087  608.896    414.087  0.0000     0.0000   28.448  10.362  ?       ?       0.000000       10.36180  
1 1 1 -25 30  23 o 15.888  7.5941  -292.4074  368.156  -292.4074  368.156  0.0000     0.0000   15.888  7.5941  ?       ?       0.000000       7.594125  
1 1 1 -25 30  24 o 28.237  10.655  634.894    444.796  634.894    444.796  0.0000     0.0000   28.237  10.655  ?       ?       0.000000       10.65455  
1 1 1 -25 31  1  o 65.010  3.4287  2317.62    240.570  2408.93    261.658  1818.64    611.666  66.224  3.6622  54.639  10.719  11.58551       11.32706  
1 1 1 -25 31  2  o 44.162  4.3270  1082.42    204.312  1074.80    222.501  1123.39    515.938  43.895  4.7560  42.633  11.074  1.262646       12.05201  
1 1 1 -25 31  3  o 28.096  6.4475  458.904    192.046  307.897    208.113  1325.14    498.447  23.371  7.3633  46.747  10.137  -23.37539      12.52875  
1 1 1 -25 31  4  o 28.438  6.9577  473.032    212.546  566.635    241.499  151.359    447.690  31.072  7.2999  24.641  10.221  6.431242       12.56026  
1 1 1 -25 31  5  o 41.658  5.9038  985.020    258.920  1074.32    307.104  765.521    481.482  43.240  6.7803  35.553  11.200  7.687931       13.09223  
1 1 1 -25 31  6  o 78.838  3.3466  3399.00    285.770  3429.88    323.774  3290.12    607.910  79.090  3.7796  75.783  7.5049  3.306450       8.402896  
1 1 1 -25 31  7  o 112.671 3.2962  6942.03    402.252  7071.17    462.259  6539.25    816.389  113.550 3.7586  107.306 7.0638  6.243797       8.001520  
1 1 1 -25 31  8  o 128.108 4.6426  9065.05    644.180  9065.05    644.180  0.0000     0.0000   128.108 4.6426  ?       ?       0.000000       4.642584  
1 1 1 -25 31  9  o 66.909  5.0967  2498.07    366.576  2498.07    366.576  0.0000     0.0000   66.909  5.0967  ?       ?       0.000000       5.096706  
1 1 1 -25 31  10 o 45.760  6.7295  1207.40    323.567  1207.40    323.567  0.0000     0.0000   45.760  6.7295  ?       ?       0.000000       6.729463  
1 1 1 -25 31  11 o 38.125  5.7935  831.651    231.704  726.326    261.911  1210.89    496.987  35.123  7.1283  43.963  10.568  -8.839901      12.74725  
1 1 1 -25 31  12 o 82.788  3.4461  3760.76    309.004  3926.20    351.771  3201.74    646.613  84.454  3.8456  73.809  8.2285  10.64562       9.082835  
1 1 1 -25 31  13 o 66.411  4.1340  2445.11    295.887  2474.28    344.941  2363.89    575.655  66.533  4.8193  62.918  8.6782  3.614872       9.926602  
1 1 1 -25 31  14 o 55.075  4.2400  1690.24    250.978  1661.04    300.623  1757.42    455.942  54.222  5.1820  54.326  7.9872  -0.1035461     9.520967  
1 1 1 -25 31  15 o 13.491  6.1601  -109.6428  200.314  -180.7058  241.754  46.010     357.791  14.124  6.5624  20.553  8.8559  -6.428684      11.02234  
1 1 1 -25 31  16 f 59.419  4.0801  1975.62    260.991  1905.07    312.591  2138.00    474.221  57.860  5.0383  59.656  7.5055  -1.795742      9.039780  
1 1 1 -25 31  17 o 63.444  3.9504  2257.60    270.109  2524.48    323.238  1639.94    491.747  66.768  4.4960  50.214  9.3868  16.55413       10.40798  
1 1 1 -25 31  18 o 14.124  6.4379  -93.2512   217.599  -133.9243  272.373  -21.4930   361.782  15.393  7.0856  19.100  8.5390  -3.707596      11.09595  
1 1 1 -25 31  19 o 49.237  2.8394  1343.22    150.779  2154.39    348.188  1156.00    167.276  60.778  5.3435  45.430  3.4247  15.34861       6.346823  
1 1 1 -25 31  20 o 52.421  7.7737  1749.31    427.999  1749.31    427.999  0.0000     0.0000   52.421  7.7737  ?       ?       0.000000       7.773746  
1 1 1 -25 31  21 f 25.030  9.9070  397.785    398.512  397.785    398.512  0.0000     0.0000   25.030  9.9070  ?       ?       0.000000       9.906969  
1 1 1 -25 31  22 o 20.470  8.8856  136.827    365.585  136.827    365.585  0.0000     0.0000   20.470  8.8856  ?       ?       0.000000       8.885566  
1 1 1 -25 31  23 o 19.616  8.9144  14.420     413.264  14.420     413.264  0.0000     0.0000   19.616  8.9144  ?       ?       0.000000       8.914392  
1 1 1 -25 32  1  o 5.8488  2.6343  -18.0053   35.140   110.890    184.820  -22.8397   35.793   17.399  6.7890  5.7410  2.6146  11.65817       7.275101  
1 1 1 -25 32  2  o 23.320  6.7412  313.251    179.888  332.090    194.271  199.971    476.381  24.002  7.0250  25.856  10.616  -1.853802      12.72997  
1 1 1 -25 32  3  o 61.283  3.5040  2061.72    231.613  2021.09    253.621  2265.82    568.443  60.580  3.8858  62.233  8.6687  -1.653183      9.499748  
1 1 1 -25 32  4  o 27.079  6.3452  426.512    182.848  480.982    200.283  153.879    448.078  28.730  6.5781  24.653  10.226  4.076389       12.15902  
1 1 1 -25 32  5  o 65.312  5.7162  2392.67    400.296  2609.90    580.018  2195.10    553.146  67.092  8.1490  61.249  8.5732  5.843819       11.82818  
1 1 1 -25 32  6  o 75.042  2.7348  3069.98    222.282  2981.30    317.507  3155.21    311.294  73.569  3.9997  75.845  3.7894  -2.276535      5.509733  
1 1 1 -25 32  7  o 37.606  7.0615  823.407    277.062  823.407    277.062  0.0000     0.0000   37.606  7.0615  ?       ?       0.000000       7.061544  
1 1 1 -25 32  8  o 18.906  7.7775  84.738     256.291  84.738     256.291  0.0000     0.0000   18.906  7.7775  ?       ?       0.000000       7.777510  
1 1 1 -25 32  9  o 24.045  8.4545  307.337    273.022  307.337    273.022  0.0000     0.0000   24.045  8.4545  ?       ?       0.000000       8.454502  
1 1 1 -25 32  10 o 27.593  6.6905  447.645    197.883  482.496    217.603  281.076    475.718  28.577  7.0694  26.740  10.744  1.837034       12.86104  
1 1 1 -25 32  11 o 17.509  7.1963  73.243     219.171  73.497     249.201  72.375     460.534  18.413  7.6308  23.553  10.096  -5.140635      12.65541  
1 1 1 -25 32  12 o 42.972  5.2199  1044.12    237.964  1064.21    269.761  973.636    505.227  43.134  5.9311  39.038  11.301  4.096127       12.76290  
1 1 1 -25 32  13 o 35.665  5.5977  729.931    209.115  683.614    245.740  851.507    398.138  34.029  6.9035  36.895  9.7981  -2.866493      11.98586  
1 1 1 -25 32  14 o 21.987  7.2573  273.591    200.713  150.471    237.283  583.245    376.306  19.511  7.6693  30.744  9.9244  -11.23311      12.54242  
1 1 1 -25 32  15 o 16.488  6.9995  33.802     217.534  -219.1718  270.181  500.014    366.783  14.659  6.8530  28.665  9.8142  -14.00586      11.97009  
1 1 1 -25 32  16 o 32.778  1.4223  583.979    50.493   272.639    277.720  594.623    51.349   22.651  8.4444  33.075  1.4334  -10.42350      8.565207  
1 1 1 -25 32  17 o 36.314  6.3465  792.211    240.532  988.703    298.501  428.397    406.176  40.185  7.1188  26.691  10.155  13.49436       12.40157  
1 1 1 -25 32  18 o 15.336  1.8937  130.328    30.787   238.953    287.261  129.066    30.965   21.666  8.4611  15.256  1.9163  6.410253       8.675426  
1 1 1 -25 32  19 o 25.859  8.6526  433.458    285.034  1396.62    412.680  -445.1847  394.157  46.322  8.5400  15.860  7.6520  30.46156       11.46671  
1 1 1 -25 32  20 o 49.818  7.3624  1560.57    385.296  1560.57    385.296  0.0000     0.0000   49.818  7.3624  ?       ?       0.000000       7.362439  
1 1 1 -25 32  21 o 18.947  8.4524  22.587     352.447  22.587     352.447  0.0000     0.0000   18.947  8.4524  ?       ?       0.000000       8.452389  
1 1 1 -25 32  22 o 35.263  10.427  957.536    426.049  957.536    426.049  0.0000     0.0000   35.263  10.427  ?       ?       0.000000       10.42676  
1 1 1 -25 32  23 o 21.245  9.0757  201.166    369.880  201.166    369.880  0.0000     0.0000   21.245  9.0757  ?       ?       0.000000       9.075706  
1 1 1 -25 33  1  o 54.918  3.7241  1660.74    220.206  1812.23    237.540  734.922    587.230  57.348  3.8465  35.354  12.401  21.99431       12.98385  
1 1 1 -25 33  2  f 22.727  6.6847  296.441    175.523  318.706    188.827  154.926    476.042  23.533  6.9367  25.200  10.504  -1.667740      12.58757  
1 1 1 -25 33  3  o 40.562  4.4230  916.440    191.167  876.284    205.740  1170.15    517.140  39.525  4.9118  43.438  10.985  -3.912903      12.03294  
1 1 1 -25 33  4  o 11.389  5.3267  -153.9835  163.536  -135.4059  175.416  -277.3716  452.076  12.202  5.6413  19.774  9.1120  -7.572163      10.71695  
1 1 1 -25 33  5  o 21.229  7.5484  228.072    218.210  166.617    249.562  427.598    449.677  20.428  7.9117  28.944  10.754  -8.515829      13.35086  
1 1 1 -25 33  6  o 22.905  9.3597  152.957    368.090  152.957    368.090  0.0000     0.0000   22.905  9.3597  ?       ?       0.000000       9.359718  
1 1 1 -25 33  7  o 67.223  4.7818  2511.01    345.891  2511.01    345.891  0.0000     0.0000   67.223  4.7818  ?       ?       0.000000       4.781835  
1 1 1 -25 33  8  o 66.763  7.2639  2561.15    516.786  2561.15    516.786  0.0000     0.0000   66.763  7.2639  ?       ?       0.000000       7.263881  
1 1 1 -25 33  9  o 47.666  4.4353  1264.98    226.359  1250.79    252.310  1323.55    512.433  47.220  5.0098  46.180  10.485  1.040207       11.62001  
1 1 1 -25 33  10 o 36.569  5.9913  768.813    229.085  702.130    258.642  1011.58    493.495  34.523  7.1522  40.005  11.032  -5.481541      13.14777  
1 1 1 -25 33  11 o 43.343  1.7539  1020.81    82.338   677.146    227.016  1072.87    88.354   34.122  6.3771  44.428  1.8361  -10.30561      6.636145  
1 1 1 -25 33  12 o 44.922  4.5608  1129.32    218.829  1159.17    256.563  1049.66    419.187  45.255  5.3370  41.217  9.5730  4.037392       10.96020  
1 1 1 -25 33  13 o 15.846  6.7256  23.975     200.769  -0.6367    241.898  78.463     359.929  16.785  7.2570  21.255  9.0123  -4.469912      11.57093  
1 1 1 -25 33  14 o 29.467  2.0280  475.098    64.332   738.100    281.308  460.584    66.084   34.955  7.6433  28.997  2.1188  5.957438       7.931510  
1 1 1 -25 33  15 o 23.092  7.3183  314.366    205.339  466.909    244.107  -54.7766   379.735  27.599  7.8132  19.674  8.7754  7.924448       11.74956  
1 1 1 -25 33  16 o 52.941  4.5352  1586.70    257.539  1697.81    313.320  1355.28    452.191  54.296  5.3994  45.785  9.4325  8.511196       10.86852  
1 1 1 -25 33  17 o 27.929  7.7083  494.107    240.806  510.327    302.453  466.021    397.985  28.029  8.8817  27.235  10.118  0.7934074      13.46290  
1 1 1 -25 33  18 o 35.361  6.2302  754.778    229.896  796.285    276.508  661.842    413.753  35.626  7.4074  30.816  10.424  4.810345       12.78812  
1 1 1 -25 33  19 o 14.688  6.7977  -142.3661  255.632  -301.9752  359.912  20.125     363.147  16.082  7.6365  19.480  8.6414  -3.397673      11.53207  
1 1 1 -25 33  20 o 17.072  8.0001  -209.5508  372.050  -209.5508  372.050  0.0000     0.0000   17.072  8.0001  ?       ?       0.000000       8.000133  
1 1 1 -25 33  21 o 31.258  10.328  735.129    406.493  735.129    406.493  0.0000     0.0000   31.258  10.328  ?       ?       0.000000       10.32844  
1 1 1 -25 33  22 o 16.771  7.8341  -158.3350  351.950  -158.3350  351.950  0.0000     0.0000   16.771  7.8341  ?       ?       0.000000       7.834088  
1 1 1 -25 33  23 o 17.682  8.1770  -95.1840   368.888  -95.1840   368.888  0.0000     0.0000   17.682  8.1770  ?       ?       0.000000       8.177025  
1 1 1 -25 34  1  o 35.687  4.8085  715.907    181.132  710.915    191.902  756.675    548.405  35.469  5.1455  35.492  12.001  -0.2309799E-01 13.05784  
1 1 1 -25 34  2  o 42.002  4.3387  981.291    194.537  988.640    210.355  937.868    511.343  42.067  4.6970  38.838  11.406  3.228848       12.33492  
1 1 1 -25 34  3  o 17.410  6.4516  136.520    161.628  116.817    171.234  297.491    489.443  17.133  6.5755  27.422  10.939  -10.28893      12.76363  
1 1 1 -25 34  4  o 53.328  3.8623  1568.58    221.575  1673.11    243.911  1075.02    530.017  55.016  4.1232  41.447  11.434  13.56931       12.15517  
1 1 1 -25 34  5  o 13.110  6.2729  -328.8208  252.600  -328.8208  252.600  0.0000     0.0000   13.110  6.2729  ?       ?       0.000000       6.272889  
1 1 1 -25 34  6  o 48.055  8.1659  1357.41    409.819  1357.41    409.819  0.0000     0.0000   48.055  8.1659  ?       ?       0.000000       8.165915  
1 1 1 -25 34  7  o 73.473  4.4909  2989.86    355.668  2989.86    355.668  0.0000     0.0000   73.473  4.4909  ?       ?       0.000000       4.490919  
1 1 1 -25 34  8  o 42.212  4.9350  1000.54    221.372  925.950    246.917  1306.09    499.765  40.307  5.8248  46.011  10.287  -5.704060      11.82133  
1 1 1 -25 34  9  o 22.873  7.2008  297.941    199.067  344.793    219.796  84.111     469.558  24.434  7.5460  23.949  10.228  0.4850731      12.71054  
1 1 1 -25 34  10 f 21.198  7.1027  245.773    192.067  216.345    210.102  395.444    473.821  20.666  7.4006  28.420  10.931  -7.753466      13.20049  
1 1 1 -25 34  11 o 28.514  6.7807  479.817    206.353  504.702    245.088  419.219    382.456  29.071  7.6719  27.694  9.9777  1.377827       12.58616  
1 1 1 -25 34  12 o 19.053  7.0933  168.820    195.830  406.324    231.388  -430.7595  367.645  26.184  7.6676  15.926  7.6059  10.25786       10.80009  
1 1 1 -25 34  13 o 15.510  6.5146  35.043     185.232  5.3133     215.426  119.360    362.796  15.987  6.8801  21.894  9.1514  -5.907596      11.44921  
1 1 1 -25 34  14 o 63.916  3.7750  2264.97    260.175  2434.99    306.594  1827.52    491.791  66.050  4.3093  54.830  8.5610  11.22021       9.584378  
1 1 1 -25 34  15 o 12.069  2.2214  81.999     27.968   182.717    262.806  80.846     28.128   20.556  8.0741  11.976  2.2511  8.580249       8.382049  
1 1 1 -25 34  16 o 43.141  5.0159  1069.75    230.000  1161.55    273.617  848.681    424.611  44.556  5.8079  35.295  10.401  9.260273       11.91313  
1 1 1 -25 34  17 o 56.241  4.2016  1789.39    254.088  1797.98    301.219  1768.20    473.094  55.867  5.0320  52.579  8.6052  3.288227       9.968477  
1 1 1 -25 34  18 o 17.017  7.2008  63.549     229.044  217.830    286.711  -208.5821  380.783  21.204  8.3999  17.526  8.1737  3.678904       11.72043  
1 1 1 -25 34  19 o 26.711  8.1630  466.321    257.980  545.118    339.573  358.760    396.739  28.287  9.4443  24.843  9.8685  3.443768       13.65952  
1 1 1 -25 34  20 o 47.352  7.7474  1437.98    383.593  1437.98    383.593  0.0000     0.0000   47.352  7.7474  ?       ?       0.000000       7.747352  
1 1 1 -25 34  21 o 26.538  9.9471  493.066    386.384  493.066    386.384  0.0000     0.0000   26.538  9.9471  ?       ?       0.000000       9.947138  
1 1 1 -25 34  22 o 18.355  8.2490  10.382     342.385  10.382     342.385  0.0000     0.0000   18.355  8.2490  ?       ?       0.000000       8.249029  
1 1 1 -25 34  23 o 27.982  10.424  604.810    423.031  604.810    423.031  0.0000     0.0000   27.982  10.424  ?       ?       0.000000       10.42397  
1 1 1 -25 35  1  f 73.525  3.1799  2954.85    253.229  2884.14    275.109  3347.12    647.946  72.569  3.5001  76.073  7.9829  -3.504440      8.716477  
1 1 1 -25 35  2  o 56.917  3.5594  1781.39    218.327  1767.53    237.952  1855.18    549.013  56.608  3.9049  55.718  9.4340  0.8894730      10.21023  
1 1 1 -25 35  3  o 46.358  4.1047  1190.52    203.968  1141.44    220.704  1477.83    533.982  45.266  4.5639  49.145  10.358  -3.879482      11.31919  
1 1 1 -25 35  4  o 87.371  4.2429  4202.25    401.513  4202.25    401.513  0.0000     0.0000   87.371  4.2429  ?       ?       0.000000       4.242914  
1 1 1 -25 35  5  o 40.014  9.1820  966.984    389.506  966.984    389.506  0.0000     0.0000   40.014  9.1820  ?       ?       0.000000       9.182043  
1 1 1 -25 35  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 35  7  o 48.978  4.2772  1331.78    224.622  1275.29    249.626  1572.14    514.906  47.739  4.8971  50.945  9.6856  -3.206585      10.85320  
1 1 1 -25 35  8  o 42.395  4.8965  1009.10    220.700  942.699    245.538  1288.38    503.572  40.694  5.7294  45.571  10.428  -4.877098      11.89830  
1 1 1 -25 35  9  o 69.304  3.5592  2642.27    266.267  2791.37    298.826  2067.75    586.595  71.129  3.8936  58.486  9.5928  12.64335       10.35286  
1 1 1 -25 35  10 o 47.803  4.1572  1269.57    213.099  1346.27    246.407  1042.01    424.438  49.070  4.6935  41.104  9.6914  7.965626       10.76812  
1 1 1 -25 35  11 o 28.942  6.0676  488.316    184.124  584.151    209.656  165.175    384.984  31.635  6.3397  23.236  9.5425  8.398350       11.45648  
1 1 1 -25 35  12 o 67.154  3.4129  2482.73    247.421  2505.13    284.124  2412.45    503.297  67.285  3.9156  64.339  7.3545  2.945786       8.331920  
1 1 1 -25 35  13 o 101.299 3.2700  5636.04    358.777  5686.54    418.789  5496.73    695.558  101.498 3.8095  97.767  6.6073  3.730888       7.626867  
1 1 1 -25 35  14 o 27.663  7.2440  462.949    219.609  508.539    265.511  364.210    390.743  28.777  8.1491  26.235  9.9652  2.542572       12.87293  
1 1 1 -25 35  15 o 39.029  5.5972  884.634    229.829  1148.35    277.650  310.634    409.624  44.385  5.9234  25.225  10.025  19.15941       11.64440  
1 1 1 -25 35  16 o 22.215  1.7159  270.441    40.967   372.052    276.180  268.155    41.425   24.739  8.5142  22.116  1.7435  2.623701       8.690891  
1 1 1 -25 35  17 o 79.830  3.5945  3552.88    310.792  3640.16    369.116  3340.27    576.079  80.242  4.2624  73.958  7.2862  6.283257       8.441399  
1 1 1 -25 35  18 o 53.091  5.0812  1633.10    288.616  1564.14    367.160  1744.64    466.920  50.638  6.8719  51.978  8.5941  -1.340553      11.00367  
1 1 1 -25 35  19 o 28.110  9.8237  541.985    368.346  541.985    368.346  0.0000     0.0000   28.110  9.8237  ?       ?       0.000000       9.823705  
1 1 1 -25 35  20 o 15.851  7.5126  -265.0826  345.220  -265.0826  345.220  0.0000     0.0000   15.851  7.5126  ?       ?       0.000000       7.512625  
1 1 1 -25 35  21 o 20.349  8.8770  116.552    368.657  116.552    368.657  0.0000     0.0000   20.349  8.8770  ?       ?       0.000000       8.877006  
1 1 1 -25 35  22 o 16.987  8.0097  -208.2232  383.129  -208.2232  383.129  0.0000     0.0000   16.987  8.0097  ?       ?       0.000000       8.009702  
1 1 1 -25 35  23 o 14.727  7.1868  -479.2982  374.905  -479.2982  374.905  0.0000     0.0000   14.727  7.1868  ?       ?       0.000000       7.186826  
1 1 1 -25 36  1  o 18.824  6.5122  183.452    161.670  241.396    169.793  -379.0111  529.008  20.824  6.6606  20.746  9.6619  0.7819366E-01  11.73521  
1 1 1 -25 36  2  o 33.149  5.1309  622.815    178.265  650.391    191.015  436.694    496.246  33.814  5.3970  29.603  11.234  4.210823       12.46287  
1 1 1 -25 36  3  o 33.600  6.3556  653.042    222.822  653.042    222.822  0.0000     0.0000   33.600  6.3556  ?       ?       0.000000       6.355564  
1 1 1 -25 36  4  o 36.392  6.5628  766.164    249.163  766.164    249.163  0.0000     0.0000   36.392  6.5628  ?       ?       0.000000       6.562804  
1 1 1 -25 36  5  o 29.378  7.4471  510.208    237.278  510.208    237.278  0.0000     0.0000   29.378  7.4471  ?       ?       0.000000       7.447051  
1 1 1 -25 36  6  o 49.866  4.9471  1391.14    263.666  1380.15    306.093  1422.73    519.088  49.363  5.8382  48.110  10.274  1.252254       11.81693  
1 1 1 -25 36  7  o 12.870  6.1151  -270.0693  231.536  -241.4613  270.317  -348.8697  448.636  14.614  6.8393  18.954  8.8506  -4.339306      11.18524  
1 1 1 -25 36  8  o 42.800  4.6012  1024.57    209.948  1049.59    230.917  905.257    504.228  43.194  5.0300  37.896  11.375  5.298382       12.43753  
1 1 1 -25 36  9  o 57.512  3.8011  1826.25    235.437  1976.87    273.824  1399.15    461.088  59.702  4.2626  48.098  9.1859  11.60439       10.12672  
1 1 1 -25 36  10 o 23.613  1.5377  304.018    39.113   311.877    199.877  303.705    39.884   23.274  7.1973  23.598  1.5694  -0.3243122     7.366473  
1 1 1 -25 36  11 o 24.887  6.9752  364.875    195.572  247.788    227.290  698.769    383.823  21.750  7.7070  33.601  9.8857  -11.85027      12.53494  
1 1 1 -25 36  12 o 17.481  6.9462  106.334    196.614  -28.3850   231.301  457.193    373.275  15.969  6.9971  28.173  9.8868  -12.20418      12.11229  
1 1 1 -25 36  13 o 17.141  6.7143  112.701    181.312  173.810    207.498  -84.6167   372.856  19.345  7.2819  19.322  8.6513  0.2253723E-01  11.30800  
1 1 1 -25 36  14 o 40.903  2.2486  915.978    99.234   1102.30    265.886  885.825    106.963  43.667  5.7626  40.177  2.4700  3.490105       6.269606  
1 1 1 -25 36  15 o 57.955  4.2311  1887.73    263.755  1896.73    317.219  1867.57    474.736  57.604  5.1383  55.030  8.2166  2.573822       9.690917  
1 1 1 -25 36  16 o 18.494  7.1860  155.154    206.392  258.537    245.451  -94.3788   381.333  21.648  7.9635  18.855  8.5665  2.793259       11.69626  
1 1 1 -25 36  17 o 40.211  5.4411  947.762    230.889  1016.44    274.342  780.995    427.501  41.118  6.3658  33.300  10.560  7.818565       12.33039  
1 1 1 -25 36  18 o 43.499  5.9665  1128.69    273.701  1223.56    351.035  981.591    437.113  44.113  7.6227  37.106  10.438  7.007141       12.92506  
1 1 1 -25 36  19 o 41.148  8.0903  1097.22    347.715  1097.22    347.715  0.0000     0.0000   41.148  8.0903  ?       ?       0.000000       8.090271  
1 1 1 -25 36  20 o 20.540  8.8657  127.916    359.839  127.916    359.839  0.0000     0.0000   20.540  8.8657  ?       ?       0.000000       8.865731  
1 1 1 -25 36  21 o 16.689  7.8419  -200.3465  361.540  -200.3465  361.540  0.0000     0.0000   16.689  7.8419  ?       ?       0.000000       7.841859  
1 1 1 -25 36  22 o 24.168  9.6047  378.747    375.966  378.747    375.966  0.0000     0.0000   24.168  9.6047  ?       ?       0.000000       9.604681  
1 1 1 -25 37  1  o 69.324  3.0837  2626.50    231.544  2576.21    248.845  2950.88    632.011  68.601  3.3491  71.065  8.3717  -2.463425      9.016743  
1 1 1 -25 37  2  o 70.797  3.6504  2755.95    278.961  2714.31    314.153  2911.16    606.589  70.103  4.1560  70.786  8.0553  -0.6834106     9.064238  
1 1 1 -25 37  3  o 38.283  5.6740  833.957    228.146  833.957    228.146  0.0000     0.0000   38.283  5.6740  ?       ?       0.000000       5.674018  
1 1 1 -25 37  4  f 28.180  6.8580  466.466    207.337  466.466    207.337  0.0000     0.0000   28.180  6.8580  ?       ?       0.000000       6.857952  
1 1 1 -25 37  5  o 42.462  5.0006  1012.93    225.575  1012.93    225.575  0.0000     0.0000   42.462  5.0006  ?       ?       0.000000       5.000646  
1 1 1 -25 37  6  o 72.962  4.0292  2938.04    317.173  3159.01    374.426  2376.63    596.809  75.451  4.6038  63.292  8.9560  12.15858       10.06999  
1 1 1 -25 37  7  o 47.013  4.9343  1239.14    247.511  1238.62    282.759  1240.82    511.908  46.742  5.7036  44.525  10.739  2.217037       12.15991  
1 1 1 -25 37  8  o 51.341  3.7368  1455.64    206.366  1509.49    233.903  1266.47    438.382  52.163  4.1750  45.737  9.1686  6.426052       10.07441  
1 1 1 -25 37  9  o 66.950  3.1806  2453.80    230.638  2415.93    272.866  2548.56    431.602  66.168  3.8237  67.077  6.0043  -0.9083710     7.118408  
1 1 1 -25 37  10 o 22.676  6.9296  296.328    185.911  256.864    214.195  416.855    374.328  21.813  7.4986  27.552  9.8769  -5.739065      12.40092  
1 1 1 -25 37  11 o 15.527  6.3047  65.070     165.683  140.536    185.767  -228.4162  366.342  18.054  6.8679  17.702  8.1732  0.3520908      10.67566  
1 1 1 -25 37  12 o 51.940  3.9004  1497.64    217.821  1583.90    249.194  1218.31    448.425  53.264  4.3576  44.169  9.6440  9.095879       10.58277  
1 1 1 -25 37  13 o 51.855  4.1080  1500.15    228.835  1607.96    266.496  1197.52    446.499  53.483  4.6467  43.491  9.7229  9.992012       10.77623  
1 1 1 -25 37  14 o 32.384  6.4426  624.686    218.027  669.780    259.771  517.216    401.030  33.124  7.4243  28.984  10.241  4.140694       12.64888  
1 1 1 -25 37  15 o 54.188  2.8141  1618.68    164.594  2373.25    306.996  1314.27    194.988  64.867  4.3955  48.479  3.7425  16.38800       5.772964  
1 1 1 -25 37  16 f 40.675  5.5801  970.469    239.351  1055.16    289.306  786.743    426.104  41.830  6.6047  33.601  10.528  8.229656       12.42834  
1 1 1 -25 37  17 o 22.647  7.8252  307.882    233.402  168.626    289.753  565.210    393.882  20.378  8.3131  28.977  10.157  -8.598419      13.12505  
1 1 1 -25 37  18 o 22.085  8.0621  284.035    250.880  406.024    327.397  110.510    390.476  25.367  9.2175  21.204  9.1937  4.162930       13.01876  
1 1 1 -25 37  19 o 44.272  7.9986  1264.36    369.429  1264.36    369.429  0.0000     0.0000   44.272  7.9986  ?       ?       0.000000       7.998625  
1 1 1 -25 37  20 o 50.438  7.0685  1597.35    375.543  1597.35    375.543  0.0000     0.0000   50.438  7.0685  ?       ?       0.000000       7.068456  
1 1 1 -25 37  21 o 26.888  9.9103  518.977    380.396  518.977    380.396  0.0000     0.0000   26.888  9.9103  ?       ?       0.000000       9.910323  
1 1 1 -25 37  22 o 19.915  8.9436  50.169     401.653  50.169     401.653  0.0000     0.0000   19.915  8.9436  ?       ?       0.000000       8.943598  
1 1 1 -25 38  1  o 44.054  4.0795  1077.03    192.444  1163.92    204.635  412.274    566.008  45.786  4.1722  29.990  11.827  15.79652       12.54123  
1 1 1 -25 38  2  o 52.994  4.3119  1558.35    245.351  1558.35    245.351  0.0000     0.0000   52.994  4.3119  ?       ?       0.000000       4.311920  
1 1 1 -25 38  3  o 35.712  5.3854  724.672    201.831  724.672    201.831  0.0000     0.0000   35.712  5.3854  ?       ?       0.000000       5.385437  
1 1 1 -25 38  4  o 39.645  4.8141  882.453    202.474  882.453    202.474  0.0000     0.0000   39.645  4.8141  ?       ?       0.000000       4.814123  
1 1 1 -25 38  5  o 30.181  5.8857  526.323    185.490  582.319    201.620  217.775    473.283  31.725  6.0891  25.839  10.592  5.886114       12.21764  
1 1 1 -25 38  6  o 44.617  4.0805  1105.02    195.006  1149.51    211.299  849.499    506.423  45.440  4.3463  36.840  11.467  8.599758       12.26293  
1 1 1 -25 38  7  f 38.770  5.1976  850.309    212.761  836.315    250.603  886.434    402.650  38.079  6.2962  37.929  9.7483  0.1505127      11.60476  
1 1 1 -25 38  8  f 66.883  3.2736  2450.10    237.141  2568.01    269.884  2050.70    496.715  68.283  3.6625  59.162  7.9531  9.121044       8.755919  
1 1 1 -25 38  9  o 38.847  4.7459  848.647    195.533  879.613    223.267  746.712    405.079  39.360  5.3779  34.727  10.138  4.632648       11.47632  
1 1 1 -25 38  10 o 22.097  6.7032  281.444    174.423  422.076    196.935  -230.3410  375.685  26.720  6.7906  17.975  8.2914  8.744455       10.71730  
1 1 1 -25 38  11 o 15.428  2.2085  132.267    35.851   341.486    207.199  125.810    36.400   24.138  7.3023  15.021  2.3114  9.116480       7.659352  
1 1 1 -25 38  12 o 50.951  2.2349  1415.28    123.335  1242.76    266.303  1462.39    139.159  46.744  5.3567  51.751  2.4827  -5.007767      5.904017  
1 1 1 -25 38  13 o 50.692  4.3692  1441.43    237.544  1305.77    280.173  1788.28    447.992  47.741  5.5201  54.611  7.7951  -6.869877      9.551730  
1 1 1 -25 38  14 o 51.297  4.3773  1482.23    240.876  1404.10    284.658  1679.23    452.027  49.425  5.4056  52.242  8.2636  -2.817158      9.874576  
1 1 1 -25 38  15 o 33.625  6.3780  679.424    223.784  874.709    267.124  219.770    409.822  38.066  6.7249  23.513  9.7685  14.55311       11.85951  
1 1 1 -25 38  16 o 32.332  1.8203  572.043    63.484   588.844    284.256  571.161    65.129   30.137  8.3962  32.298  1.8698  -2.160902      8.601855  
1 1 1 -25 38  17 o 17.822  7.4672  86.892     242.400  81.363     312.988  95.180     383.173  19.392  8.3180  21.007  9.1077  -1.614807      12.33452  
1 1 1 -25 38  18 o 17.723  7.8139  9.4119     292.505  9.4119     292.505  0.0000     0.0000   17.723  7.8139  ?       ?       0.000000       7.813921  
1 1 1 -25 38  19 o 27.409  9.5328  514.745    346.657  514.745    346.657  0.0000     0.0000   27.409  9.5328  ?       ?       0.000000       9.532838  
1 1 1 -25 38  20 o 43.856  8.5664  1290.56    392.315  1290.56    392.315  0.0000     0.0000   43.856  8.5664  ?       ?       0.000000       8.566364  
1 1 1 -25 38  21 o 24.007  9.6499  359.542    383.950  359.542    383.950  0.0000     0.0000   24.007  9.6499  ?       ?       0.000000       9.649862  
1 1 1 -25 38  22 o 46.291  8.7460  1474.50    422.440  1474.50    422.440  0.0000     0.0000   46.291  8.7460  ?       ?       0.000000       8.746025  
1 1 1 -25 39  1  o 52.461  3.7888  1519.70    213.833  1519.70    213.833  0.0000     0.0000   52.461  3.7888  ?       ?       0.000000       3.788772  
1 1 1 -25 39  2  o 12.457  5.4938  -35.8335   144.704  -35.8335   144.704  0.0000     0.0000   12.457  5.4938  ?       ?       0.000000       5.493782  
1 1 1 -25 39  3  o 48.580  4.2420  1310.55    220.960  1310.55    220.960  0.0000     0.0000   48.580  4.2420  ?       ?       0.000000       4.241950  
1 1 1 -25 39  4  o 65.550  3.2285  2351.56    229.215  2347.55    247.797  2375.31    603.304  65.341  3.5143  63.162  9.0799  2.178719       9.736232  
1 1 1 -25 39  5  o 31.822  1.3410  549.401    46.218   297.703    174.507  568.388    47.930   22.695  6.6624  32.366  1.3673  -9.670609      6.801292  
1 1 1 -25 39  6  o 79.394  3.0903  3447.42    265.743  3623.12    302.367  2851.05    557.053  81.299  3.4338  70.252  7.4339  11.04752       8.188672  
1 1 1 -25 39  7  f 39.107  6.8308  890.346    278.806  654.361    380.806  1162.99    409.318  32.749  9.8978  43.894  8.9140  -11.14445      13.32012  
1 1 1 -25 39  8  o 16.616  6.4434  106.074    165.687  102.664    185.584  119.468    367.804  17.138  6.7679  22.212  9.2433  -5.073654      11.45611  
1 1 1 -25 39  9  o 20.606  1.4604  231.651    32.383   207.199    202.080  232.295    32.807   20.243  7.2570  20.633  1.4778  -0.3908138     7.405887  
1 1 1 -25 39  10 o 19.289  6.7382  194.380    173.287  332.455    195.193  -319.2893  376.485  23.834  7.0600  17.124  8.0319  6.710636       10.69371  
1 1 1 -25 39  11 o 59.720  3.6308  1970.86    233.737  2088.87    268.105  1597.08    477.169  61.337  4.0586  51.224  8.9249  10.11258       9.804421  
1 1 1 -25 39  12 o 34.929  5.5981  704.524    204.633  780.970    236.848  479.448    406.404  36.573  6.2006  28.663  10.290  7.910273       12.01353  
1 1 1 -25 39  13 o 39.135  5.1642  877.675    213.550  1079.22    249.041  317.864    415.059  43.341  5.4240  25.607  10.118  17.73385       11.48054  
1 1 1 -25 39  14 o 45.016  2.2073  1107.25    107.621  1086.07    293.340  1110.55    115.688  42.756  6.5425  44.989  2.3827  -2.232792      6.962851  
1 1 1 -25 39  15 o 37.882  5.8768  848.391    233.314  735.266    279.468  1108.59    423.843  34.219  7.7236  40.722  9.7406  -6.503151      12.43115  
1 1 1 -25 39  16 o 76.415  3.6905  3258.13    305.446  3214.95    363.236  3362.39    564.402  75.273  4.4755  74.525  7.0772  0.7480850      8.373549  
1 1 1 -25 39  17 o 17.311  7.3640  60.919     241.654  59.187     310.605  63.573     384.647  18.979  8.2143  20.589  9.0221  -1.609499      12.20137  
1 1 1 -25 39  18 o 35.550  8.9872  852.918    346.230  852.918    346.230  0.0000     0.0000   35.550  8.9872  ?       ?       0.000000       8.987174  
1 1 1 -25 39  19 o 34.758  8.8025  822.555    331.735  822.555    331.735  0.0000     0.0000   34.758  8.8025  ?       ?       0.000000       8.802527  
1 1 1 -25 39  20 f 32.059  9.4020  735.122    347.672  735.122    347.672  0.0000     0.0000   32.059  9.4020  ?       ?       0.000000       9.401952  
1 1 1 -25 39  21 o 20.250  8.7739  133.298    355.125  133.298    355.125  0.0000     0.0000   20.250  8.7739  ?       ?       0.000000       8.773913  
1 1 1 -25 39  22 o 21.991  9.4714  212.902    408.887  212.902    408.887  0.0000     0.0000   21.991  9.4714  ?       ?       0.000000       9.471372  
1 1 1 -25 40  1  o 36.733  4.3709  754.981    170.484  754.981    170.484  0.0000     0.0000   36.733  4.3709  ?       ?       0.000000       4.370926  
1 1 1 -25 40  2  o 79.681  3.8772  3491.60    334.614  3491.60    334.614  0.0000     0.0000   79.681  3.8772  ?       ?       0.000000       3.877197  
1 1 1 -25 40  3  o 21.801  6.0826  275.167    149.071  296.104    155.964  53.868     507.057  22.575  6.1923  24.345  10.516  -1.770498      12.20387  
1 1 1 -25 40  4  o 42.547  1.7627  983.475    81.230   800.358    180.852  1029.75    90.917   37.800  4.5062  43.523  1.9287  -5.722771      4.901572  
1 1 1 -25 40  5  o 32.620  4.7923  601.508    164.266  693.037    181.824  195.093    383.139  35.018  4.9304  23.762  9.6086  11.25607       10.79974  
1 1 1 -25 40  6  o 25.840  5.8979  388.784    161.428  416.291    178.492  265.203    378.333  26.671  6.2823  24.835  9.7070  1.835823       11.56263  
1 1 1 -25 40  7  o 58.379  3.9949  1885.31    251.079  2031.79    298.173  1528.29    465.492  60.415  4.5911  50.503  8.8315  9.912251       9.953552  
1 1 1 -25 40  8  o 95.386  2.8523  4971.18    294.678  5118.71    359.573  4669.45    514.227  96.599  3.4367  91.370  5.2178  5.228874       6.247897  
1 1 1 -25 40  9  o 92.428  3.1405  4679.10    314.389  4937.16    361.499  3878.04    636.918  94.806  3.5205  81.911  7.2542  12.89518       8.063275  
1 1 1 -25 40  10 o 94.118  3.1705  4856.69    323.199  5008.61    372.393  4392.96    650.636  95.408  3.6037  87.283  6.9397  8.125488       7.819559  
1 1 1 -25 40  11 o 88.759  3.1701  4323.39    304.758  4120.53    349.795  4962.53    620.885  86.430  3.7366  93.211  6.1851  -6.781761      7.226178  
1 1 1 -25 40  12 o 15.774  6.6711  32.118     196.415  -142.9253  230.721  492.974    374.366  14.189  6.5278  28.615  9.9091  -14.42567      11.86602  
1 1 1 -25 40  13 o 49.520  4.3045  1378.83    228.576  1246.59    265.180  1761.10    450.866  46.604  5.3505  53.813  7.9771  -7.209316      9.605269  
1 1 1 -25 40  14 o 52.112  4.3776  1534.57    244.796  1693.61    289.964  1140.00    456.727  54.443  4.9723  41.162  10.276  13.28012       11.41590  
1 1 1 -25 40  15 o 29.847  1.7078  487.007    54.978   484.629    302.385  487.089    55.910   27.455  8.8999  29.844  1.7372  -2.389744      9.067881  
1 1 1 -25 40  16 o 14.067  6.4945  -134.6602  231.276  -159.1033  292.807  -94.1165   377.108  15.744  7.2825  18.669  8.4963  -2.924624      11.19023  
1 1 1 -25 40  17 o 32.100  9.0748  693.461    329.545  693.461    329.545  0.0000     0.0000   32.100  9.0748  ?       ?       0.000000       9.074766  
1 1 1 -25 40  18 o 21.333  8.5624  221.250    301.804  221.250    301.804  0.0000     0.0000   21.333  8.5624  ?       ?       0.000000       8.562440  
1 1 1 -25 40  19 o 18.333  8.3794  -76.7160   371.842  -76.7160   371.842  0.0000     0.0000   18.333  8.3794  ?       ?       0.000000       8.379434  
1 1 1 -25 40  20 o 51.913  7.4695  1725.23    407.893  1725.23    407.893  0.0000     0.0000   51.913  7.4695  ?       ?       0.000000       7.469503  
1 1 1 -25 40  21 o 16.401  7.8089  -282.5982  381.486  -282.5982  381.486  0.0000     0.0000   16.401  7.8089  ?       ?       0.000000       7.808853  
1 1 1 -25 41  1  o 32.843  4.3999  605.899    152.579  605.899    152.579  0.0000     0.0000   32.843  4.3999  ?       ?       0.000000       4.399917  
1 1 1 -25 41  2  o 63.640  2.2626  2205.07    155.956  2157.59    161.314  2884.54    610.215  62.936  2.3665  70.199  8.1790  -7.263012      8.514520  
1 1 1 -25 41  3  o 18.232  6.2172  175.246    147.190  187.751    153.874  40.607     504.890  18.775  6.3571  24.128  10.458  -5.352797      12.23842  
1 1 1 -25 41  4  o 31.301  5.0163  556.978    164.318  589.656    174.790  308.509    481.973  32.174  5.1926  27.226  10.858  4.948025       12.03529  
1 1 1 -25 41  5  o 61.362  3.1777  2066.11    210.472  2198.21    235.024  1531.11    472.982  63.227  3.4449  50.496  8.9770  12.73104       9.615259  
1 1 1 -25 41  6  o 67.480  3.1311  2491.62    228.841  2563.62    257.137  2217.46    501.796  68.278  3.4887  61.709  7.6735  6.568794       8.429319  
1 1 1 -25 41  7  o 14.986  6.3876  11.395     182.482  97.430     211.211  -241.9132  362.411  17.781  7.1537  17.518  8.1025  0.2630520      10.80858  
1 1 1 -25 41  8  o 62.824  3.3400  2170.31    226.452  2290.52    256.456  1744.87    482.468  64.439  3.6898  54.089  8.5171  10.34966       9.282012  
1 1 1 -25 41  9  o 79.843  3.2125  3495.08    277.807  3441.95    318.298  3664.98    569.166  79.070  3.7166  79.951  6.6326  -0.8808517     7.602943  
1 1 1 -25 41  10 o 36.633  2.2507  734.166    88.871   1029.70    234.154  684.430    96.059   42.599  5.1816  35.318  2.5278  7.281078       5.765370  
1 1 1 -25 41  11 o 34.787  1.5814  657.639    59.584   476.095    224.861  671.348    61.792   28.102  7.3162  35.144  1.6233  -7.042732      7.494110  
1 1 1 -25 41  12 o 50.451  2.2741  1389.68    124.265  1332.65    255.980  1407.26    142.136  48.458  4.9465  50.642  2.6001  -2.184044      5.588230  
1 1 1 -25 41  13 o 55.249  2.6074  1673.06    156.027  1912.43    291.637  1577.06    184.680  58.141  4.6706  53.386  3.2088  4.755444       5.666645  
1 1 1 -25 41  14 o 76.368  3.4684  3235.49    286.890  3190.80    333.166  3363.67    564.266  75.387  4.0957  74.906  7.0375  0.4808807      8.142570  
1 1 1 -25 41  15 o 34.066  6.7790  709.485    241.328  859.083    296.451  415.579    415.522  37.040  7.6430  26.477  10.222  10.56252       12.76317  
1 1 1 -25 41  16 o 33.228  6.9160  681.574    240.809  755.637    294.680  532.693    417.801  34.327  8.0630  28.422  10.400  5.904913       13.15922  
1 1 1 -25 41  17 o 40.576  7.5143  1036.19    318.078  1036.19    318.078  0.0000     0.0000   40.576  7.5143  ?       ?       0.000000       7.514305  
1 1 1 -25 41  18 o 28.989  9.8796  586.739    371.666  586.739    371.666  0.0000     0.0000   28.989  9.8796  ?       ?       0.000000       9.879552  
1 1 1 -25 41  19 o 40.967  7.9402  1094.06    339.598  1094.06    339.598  0.0000     0.0000   40.967  7.9402  ?       ?       0.000000       7.940240  
1 1 1 -25 41  20 o 21.628  8.8661  238.034    331.603  238.034    331.603  0.0000     0.0000   21.628  8.8661  ?       ?       0.000000       8.866117  
1 1 1 -25 41  21 o 30.442  10.056  697.872    385.352  697.872    385.352  0.0000     0.0000   30.442  10.056  ?       ?       0.000000       10.05615  
1 1 1 -25 42  1  o 54.207  3.9784  1626.30    231.951  1519.05    251.299  2243.39    602.804  52.226  4.4861  61.036  9.4218  -8.809483      10.43532  
1 1 1 -25 42  2  o 39.502  3.7436  864.852    158.255  834.810    164.405  1244.04    584.098  38.747  3.9737  43.906  11.959  -5.159054      12.60169  
1 1 1 -25 42  3  o 36.518  4.1735  744.438    162.109  718.203    172.122  950.441    482.311  35.762  4.5465  38.826  10.979  -3.064770      11.88338  
1 1 1 -25 42  4  o 72.189  3.0604  2850.10    239.287  2829.97    261.701  2952.79    590.942  71.861  3.3624  71.256  7.7835  0.6052322      8.478726  
1 1 1 -25 42  5  o 34.514  4.7278  671.760    172.091  740.099    186.291  274.075    449.395  36.213  4.8734  26.161  10.467  10.05152       11.54568  
1 1 1 -25 42  6  o 41.591  4.0472  961.929    180.007  965.197    200.078  948.050    412.350  41.530  4.5210  39.150  9.7589  2.380390       10.75522  
1 1 1 -25 42  7  o 12.887  5.8526  -93.5839   177.744  63.173     204.230  -583.0840  360.897  16.807  6.9317  14.624  7.1177  2.183042       9.935341  
1 1 1 -25 42  8  o 37.318  1.4520  756.058    58.687   314.334    265.717  778.710    60.173   23.961  8.3454  37.872  1.4669  -13.91068      8.473313  
1 1 1 -25 42  9  o 63.774  3.4617  2241.77    238.214  2342.89    272.369  1912.74    491.321  65.055  3.8832  56.633  8.2525  8.422134       9.120450  
1 1 1 -25 42  10 o 84.324  3.2664  3905.69    298.325  3924.63    345.269  3849.89    592.581  84.327  3.7803  81.625  6.7637  2.702042       7.748427  
1 1 1 -25 42  11 o 50.452  4.1398  1422.08    224.222  1439.80    258.648  1368.50    449.813  50.511  4.7848  46.852  9.1923  3.658791       10.36305  
1 1 1 -25 42  12 o 15.348  6.6120  8.1720     199.377  11.407     235.566  0.0012     374.354  16.601  7.1694  20.166  8.8672  -3.564951      11.40297  
1 1 1 -25 42  13 o 50.994  4.2166  1464.13    230.802  1590.38    267.797  1099.53    455.089  52.910  4.7227  40.444  10.347  12.46554       11.37370  
1 1 1 -25 42  14 o 54.656  2.5969  1640.55    153.733  1831.24    307.036  1576.74    177.599  56.462  5.0749  53.347  3.0869  3.115219       5.939986  
1 1 1 -25 42  15 o 37.679  6.0351  845.556    237.984  686.279    286.247  1202.10    428.273  32.734  8.1143  42.482  9.5410  -9.748859      12.52489  
1 1 1 -25 42  16 o 28.099  7.8229  505.426    246.857  425.323    308.901  646.990    410.650  25.876  8.9988  30.564  10.385  -4.688400      13.74135  
1 1 1 -25 42  17 o 17.374  7.7856  -37.3573   302.654  -37.3573   302.654  0.0000     0.0000   17.374  7.7856  ?       ?       0.000000       7.785633  
1 1 1 -25 42  18 o 22.128  9.1741  224.365    360.400  224.365    360.400  0.0000     0.0000   22.128  9.1741  ?       ?       0.000000       9.174087  
1 1 1 -25 42  19 o 46.687  7.6402  1399.83    372.973  1399.83    372.973  0.0000     0.0000   46.687  7.6402  ?       ?       0.000000       7.640167  
1 1 1 -25 42  20 o 31.524  10.039  743.932    386.030  743.932    386.030  0.0000     0.0000   31.524  10.039  ?       ?       0.000000       10.03880  
1 1 1 -25 42  21 o 27.349  10.251  549.303    410.330  549.303    410.330  0.0000     0.0000   27.349  10.251  ?       ?       0.000000       10.25083  
1 1 1 -25 43  1  o 43.128  8.3409  1112.43    375.531  1364.29    487.197  743.732    589.458  47.074  9.8708  34.999  12.410  12.07500       15.85721  
1 1 1 -25 43  2  o 14.372  5.4418  85.480     116.287  28.443     120.362  885.167    450.683  12.815  5.3065  37.574  10.609  -24.75895      11.86208  
1 1 1 -25 43  3  o 43.331  2.0183  1021.23    94.720   1063.52    186.164  1006.46    110.026  43.776  3.9696  42.915  2.3763  0.8602676      4.626479  
1 1 1 -25 43  4  o 22.380  5.9563  291.504    146.924  293.175    154.412  275.516    477.603  22.446  6.1633  26.622  10.741  -4.175415      12.38360  
1 1 1 -25 43  5  o 67.439  3.0884  2488.79    225.588  2478.83    248.152  2536.18    541.451  67.141  3.4238  65.947  7.7268  1.193344       8.451413  
1 1 1 -25 43  6  o 51.287  3.5121  1450.78    193.921  1315.86    215.701  2019.48    442.854  48.662  4.1316  59.081  7.0605  -10.41919      8.180489  
1 1 1 -25 43  7  o 40.593  4.1263  918.904    178.896  946.671    198.588  799.352    412.069  41.086  4.5384  35.718  10.165  5.367641       11.13223  
1 1 1 -25 43  8  o 51.084  4.3761  1456.28    239.792  1465.99    284.811  1432.67    444.403  50.936  5.2371  48.636  8.7583  2.299747       10.20471  
1 1 1 -25 43  9  o 27.840  6.1119  455.543    179.245  440.761    201.493  511.608    392.414  27.201  6.8447  29.356  10.146  -2.154924      12.23916  
1 1 1 -25 43  10 f 63.331  3.5265  2216.60    240.934  1985.58    275.063  2978.10    499.398  59.641  4.2867  71.813  6.4907  -12.17154      7.778519  
1 1 1 -25 43  11 o 74.968  3.3604  3097.75    272.858  3250.44    314.009  2627.03    551.339  76.615  3.7841  66.193  7.8427  10.42145       8.707842  
1 1 1 -25 43  12 o 25.288  7.1062  388.931    202.707  426.375    235.577  282.129    397.860  26.337  7.7437  24.600  9.8461  1.736996       12.52635  
1 1 1 -25 43  13 o 46.237  4.8179  1221.99    237.736  1176.60    281.172  1335.80    445.245  44.766  5.9461  45.341  9.3761  -0.5748520     11.10257  
1 1 1 -25 43  14 o 67.609  3.7284  2555.87    271.970  2607.97    318.151  2414.44    524.142  67.917  4.3478  62.415  7.9325  5.501331       9.045897  
1 1 1 -25 43  15 o 58.144  2.8298  1863.46    178.210  2235.61    351.738  1734.93    206.704  62.173  5.2730  55.773  3.4385  6.399460       6.295117  
1 1 1 -25 43  16 o 40.281  8.4625  1052.18    357.470  1052.18    357.470  0.0000     0.0000   40.281  8.4625  ?       ?       0.000000       8.462543  
1 1 1 -25 43  17 o 27.282  9.1298  495.948    317.338  495.948    317.338  0.0000     0.0000   27.282  9.1298  ?       ?       0.000000       9.129789  
1 1 1 -25 43  18 o 16.053  7.4518  -155.7560  310.595  -155.7560  310.595  0.0000     0.0000   16.053  7.4518  ?       ?       0.000000       7.451828  
1 1 1 -25 43  19 o 19.422  8.2615  122.921    304.129  122.921    304.129  0.0000     0.0000   19.422  8.2615  ?       ?       0.000000       8.261522  
1 1 1 -25 43  20 f 25.088  9.8078  417.118    386.287  417.118    386.287  0.0000     0.0000   25.088  9.8078  ?       ?       0.000000       9.807781  
1 1 1 -25 43  21 o 30.922  11.457  784.137    509.655  784.137    509.655  0.0000     0.0000   30.922  11.457  ?       ?       0.000000       11.45683  
1 1 1 -25 44  1  o 23.822  8.9626  273.766    314.254  113.327    381.337  613.313    554.759  22.366  9.3683  32.605  11.975  -10.23875      15.20448  
1 1 1 -25 44  2  o 34.650  1.8766  654.634    70.166   701.177    193.936  647.624    75.265   35.094  5.2645  34.444  2.0264  0.6504593      5.641073  
1 1 1 -25 44  3  o 34.409  4.2777  663.590    155.981  674.720    164.770  567.537    484.042  34.640  4.4978  31.348  11.232  3.292128       12.09922  
1 1 1 -25 44  4  o 75.213  3.0962  3096.49    252.227  3127.03    276.476  2944.90    615.873  75.505  3.3807  70.766  8.1863  4.739388       8.856919  
1 1 1 -25 44  5  o 15.953  6.1907  97.203     153.034  217.601    161.555  -954.6718  477.521  19.848  6.5091  15.668  7.7379  4.179461       10.11149  
1 1 1 -25 44  6  o 51.429  3.5196  1459.72    194.876  1535.91    217.038  1142.76    442.681  52.670  3.8307  42.891  9.7500  9.779060       10.47555  
1 1 1 -25 44  7  o 45.973  3.7523  1171.61    185.212  1203.16    205.704  1036.50    425.681  46.481  4.1290  40.718  9.7758  5.762562       10.61203  
1 1 1 -25 44  8  o 15.186  6.4929  11.144     189.613  24.364     220.431  -26.4687   371.813  16.508  7.0281  20.082  8.8334  -3.573421      11.28821  
1 1 1 -25 44  9  f 68.011  3.3248  2542.85    244.916  2556.79    278.854  2495.81    512.243  67.941  3.8048  65.173  7.3871  2.767204       8.309356  
1 1 1 -25 44  10 o 57.133  3.7135  1811.53    228.548  1942.24    261.378  1387.04    471.030  59.006  4.1156  46.852  9.6047  12.15340       10.44932  
1 1 1 -25 44  11 o 60.049  3.6989  2004.24    239.401  1997.22    274.919  2026.27    486.953  59.685  4.2812  57.805  7.9914  1.879986       9.065898  
1 1 1 -25 44  12 f 55.643  3.8393  1730.08    229.970  1848.29    263.357  1350.55    471.909  57.313  4.2732  45.391  9.8793  11.92177       10.76389  
1 1 1 -25 44  13 o 62.345  2.6005  2134.06    175.598  2166.03    287.820  2115.11    221.624  61.940  4.3172  61.716  3.3278  0.2236176      5.450929  
1 1 1 -25 44  14 o 35.230  6.1242  741.771    225.203  674.497    265.604  913.836    424.774  32.764  7.6273  36.402  10.307  -3.638332      12.82229  
1 1 1 -25 44  15 o 29.926  7.4440  564.470    240.286  764.444    295.334  172.883    413.278  34.571  8.0394  22.640  9.6306  11.93044       12.54513  
1 1 1 -25 44  16 o 41.374  8.3274  1106.19    360.252  1106.19    360.252  0.0000     0.0000   41.374  8.3274  ?       ?       0.000000       8.327355  
1 1 1 -25 44  17 o 32.506  8.9729  717.469    326.271  717.469    326.271  0.0000     0.0000   32.506  8.9729  ?       ?       0.000000       8.972891  
1 1 1 -25 44  18 o 21.053  8.6868  198.090    320.902  198.090    320.902  0.0000     0.0000   21.053  8.6868  ?       ?       0.000000       8.686774  
1 1 1 -25 44  19 o 21.991  8.9418  252.809    333.861  252.809    333.861  0.0000     0.0000   21.991  8.9418  ?       ?       0.000000       8.941813  
1 1 1 -25 44  20 o 21.207  9.1351  167.289    380.465  167.289    380.465  0.0000     0.0000   21.207  9.1351  ?       ?       0.000000       9.135055  
1 1 1 -25 45  1  o 67.085  5.2637  2530.19    379.393  2562.34    513.005  2491.37    563.650  66.451  7.2451  64.927  8.1979  1.523827       10.94059  
1 1 1 -25 45  2  o 27.770  8.8323  456.535    298.889  687.140    389.253  125.242    466.556  33.314  9.9932  24.244  10.269  9.069752       14.32894  
1 1 1 -25 45  3  o 55.013  3.2153  1664.08    190.747  1598.51    204.193  2113.41    534.486  53.833  3.5214  59.560  8.5289  -5.726242      9.227302  
1 1 1 -25 45  4  o 89.742  2.9860  4407.08    290.244  4337.90    320.575  4721.65    683.590  88.924  3.3284  90.567  7.0237  -1.643143      7.772439  
1 1 1 -25 45  5  o 100.949 3.0554  5580.40    334.078  5582.58    372.726  5571.48    753.403  100.831 3.4129  98.280  7.1261  2.551674       7.901258  
1 1 1 -25 45  6  o 13.405  5.7867  -6.4201    153.333  17.917     168.787  -121.3655  366.819  14.553  6.1712  18.845  8.4971  -4.291302      10.50165  
1 1 1 -25 45  7  o 30.523  6.4791  549.182    207.572  656.579    243.807  266.262    395.715  33.256  6.9907  24.886  9.8652  8.369387       12.09099  
1 1 1 -25 45  8  o 33.407  8.3326  684.487    300.491  1478.47    453.944  65.217     400.900  49.182  8.8470  21.898  9.4040  27.28405       12.91142  
1 1 1 -25 45  9  o 33.660  5.3027  652.122    186.926  662.046    210.543  615.177    406.209  33.662  5.9945  31.296  10.324  2.366184       11.93817  
1 1 1 -25 45  10 o 40.013  4.8531  911.147    206.018  951.406    235.874  781.632    423.066  40.629  5.5016  34.537  10.431  6.091858       11.79321  
1 1 1 -25 45  11 o 58.842  3.6109  1924.95    229.016  2047.50    260.259  1504.48    482.081  60.520  3.9928  48.430  9.5298  12.09043       10.33249  
1 1 1 -25 45  12 o 28.565  6.6935  497.249    203.470  621.621    235.473  130.697    404.248  31.861  7.0135  22.231  9.4922  9.630642       11.80213  
1 1 1 -25 45  13 o 33.571  6.1902  675.273    216.788  651.675    253.723  739.093    417.249  32.346  7.4023  32.817  10.435  -0.4709740     12.79417  
1 1 1 -25 45  14 o 42.881  1.9204  1003.81    89.192   689.580    318.441  1030.56    92.911   32.422  8.8296  43.439  1.9748  -11.01658      9.047711  
1 1 1 -25 45  15 o 63.324  5.7019  2348.42    386.876  2348.42    386.876  0.0000     0.0000   63.324  5.7019  ?       ?       0.000000       5.701884  
1 1 1 -25 45  16 o 50.896  6.9864  1588.82    374.969  1588.82    374.969  0.0000     0.0000   50.896  6.9864  ?       ?       0.000000       6.986375  
1 1 1 -25 45  17 o 35.854  8.5810  857.531    328.788  857.531    328.788  0.0000     0.0000   35.854  8.5810  ?       ?       0.000000       8.581013  
1 1 1 -25 45  18 o 21.300  8.7282  214.403    321.209  214.403    321.209  0.0000     0.0000   21.300  8.7282  ?       ?       0.000000       8.728216  
1 1 1 -25 45  19 o 18.748  8.2727  47.675     328.552  47.675     328.552  0.0000     0.0000   18.748  8.2727  ?       ?       0.000000       8.272713  
1 1 1 -25 45  20 o 29.640  10.237  658.933    399.396  658.933    399.396  0.0000     0.0000   29.640  10.237  ?       ?       0.000000       10.23664  
1 1 1 -25 46  1  o 47.221  6.6686  1293.84    331.576  1443.02    441.204  1100.25    502.613  48.882  8.6499  41.328  11.025  7.554199       14.01320  
1 1 1 -25 46  2  o 22.674  1.7514  281.101    42.677   279.042    42.859   522.180    463.764  22.588  1.7658  30.203  10.971  -7.614946      11.11235  
1 1 1 -25 46  3  o 20.610  5.5734  246.757    127.405  235.374    132.450  387.690    466.048  20.177  5.7703  27.958  10.816  -7.780973      12.25926  
1 1 1 -25 46  4  f 15.921  6.0326  107.905    142.971  102.089    150.100  164.795    469.470  15.971  6.1497  24.733  10.379  -8.761403      12.06400  
1 1 1 -25 46  5  o 20.741  6.3776  246.591    157.193  225.322    166.348  424.031    480.475  20.125  6.6051  28.660  11.011  -8.534973      12.84030  
1 1 1 -25 46  6  o 61.955  3.2900  2113.29    219.982  2204.95    246.959  1761.20    484.038  63.179  3.6241  54.071  8.5493  9.108276       9.285740  
1 1 1 -25 46  7  o 55.385  3.4953  1694.82    208.599  1839.56    234.303  1141.63    458.072  57.616  3.7755  42.367  10.121  15.24912       10.80237  
1 1 1 -25 46  8  o 15.168  6.4215  26.022     182.291  55.590     209.381  -66.5780   370.540  16.690  6.9621  19.432  8.6678  -2.742085      11.11761  
1 1 1 -25 46  9  o 36.041  2.3333  712.303    90.594   1066.05    218.756  639.074    99.530   43.389  4.7316  34.051  2.7214  9.337189       5.458425  
1 1 1 -25 46  10 o 63.250  2.7024  2193.35    185.130  2658.78    278.822  1826.38    247.579  69.161  3.7360  57.163  4.0244  11.99716       5.491284  
1 1 1 -25 46  11 o 49.036  2.2572  1314.56    119.882  1329.08    244.957  1309.98    137.470  48.334  4.7401  48.806  2.6100  -0.4718895     5.411170  
1 1 1 -25 46  12 o 23.512  1.1120  300.115    28.318   -0.3644    222.443  305.065    28.550   15.836  6.9021  23.705  1.1120  -7.868995      6.991121  
1 1 1 -25 46  13 o 40.202  5.0241  933.367    213.989  1039.37    246.279  606.764    432.292  42.191  5.5218  30.115  10.633  12.07617       11.98159  
1 1 1 -25 46  14 o 40.642  5.7143  973.134    244.590  954.143    294.626  1015.24    438.718  39.367  7.1742  38.259  10.341  1.108158       12.58574  
1 1 1 -25 46  15 o 23.843  8.9622  331.590    314.086  331.590    314.086  0.0000     0.0000   23.843  8.9622  ?       ?       0.000000       8.962234  
1 1 1 -25 46  16 o 22.722  8.6752  291.470    297.078  291.470    297.078  0.0000     0.0000   22.722  8.6752  ?       ?       0.000000       8.675160  
1 1 1 -25 46  17 o 24.541  8.9886  380.972    312.227  380.972    312.227  0.0000     0.0000   24.541  8.9886  ?       ?       0.000000       8.988603  
1 1 1 -25 46  18 o 45.731  7.5143  1334.95    359.264  1334.95    359.264  0.0000     0.0000   45.731  7.5143  ?       ?       0.000000       7.514346  
1 1 1 -25 46  19 o 24.023  9.5843  352.406    375.720  352.406    375.720  0.0000     0.0000   24.023  9.5843  ?       ?       0.000000       9.584294  
1 1 1 -25 46  20 o 19.064  8.5496  17.852     365.744  17.852     365.744  0.0000     0.0000   19.064  8.5496  ?       ?       0.000000       8.549612  
1 1 1 -25 47  1  o 82.924  4.8556  3848.25    434.206  4189.10    594.309  3457.99    635.921  85.485  6.4666  76.702  7.7615  8.783012       10.10231  
1 1 1 -25 47  2  o 18.748  8.0018  36.900     287.057  -17.5845   371.198  117.960    452.763  20.191  8.8551  23.748  10.090  -3.556818      13.42492  
1 1 1 -25 47  3  o 25.692  6.0599  388.038    165.894  304.817    177.094  984.237    474.003  22.828  6.7146  39.107  10.823  -16.27890      12.73694  
1 1 1 -25 47  4  o 30.890  4.6905  542.222    151.999  519.221    159.900  757.873    489.606  30.095  5.0868  34.520  11.332  -4.424900      12.42120  
1 1 1 -25 47  5  o 48.449  3.7295  1301.57    194.203  1173.67    208.559  2135.75    532.643  45.832  4.2497  59.622  8.4879  -13.79001      9.492362  
1 1 1 -25 47  6  o 58.838  3.3624  1909.49    213.386  2040.89    238.981  1392.74    473.916  60.738  3.6497  47.222  9.5931  13.51529       10.26387  
1 1 1 -25 47  7  o 16.125  1.4794  142.433    25.550   25.716     189.861  144.585    25.784   15.432  6.5445  16.247  1.4815  -0.8154707     6.710083  
1 1 1 -25 47  8  o 44.311  4.7058  1110.42    222.391  1136.08    259.746  1039.96    430.431  44.487  5.5085  40.168  9.9460  4.319073       11.36957  
1 1 1 -25 47  9  o 79.611  3.1841  3489.74    274.555  3590.61    312.758  3150.85    573.264  80.577  3.5837  72.810  7.3709  7.766464       8.195867  
1 1 1 -25 47  10 f 71.151  3.3282  2796.32    256.486  2955.30    292.416  2266.02    534.061  72.883  3.7167  60.635  8.3538  12.24776       9.143306  
1 1 1 -25 47  11 o 47.541  4.2436  1276.15    216.217  1182.58    246.704  1586.08    449.012  45.339  5.1132  50.202  8.5652  -4.863411      9.975285  
1 1 1 -25 47  12 o 20.006  7.1020  221.365    193.088  111.081    221.542  569.880    393.831  17.900  7.2819  29.430  10.165  -11.53000      12.50414  
1 1 1 -25 47  13 o 14.640  1.7429  118.448    27.094   -259.8233  262.311  122.527    27.240   13.760  6.5296  14.897  1.7198  -1.137261      6.752246  
1 1 1 -25 47  14 o 18.087  7.6543  76.052     258.851  76.052     258.851  0.0000     0.0000   18.087  7.6543  ?       ?       0.000000       7.654344  
1 1 1 -25 47  15 o 24.360  8.5964  366.850    282.499  366.850    282.499  0.0000     0.0000   24.360  8.5964  ?       ?       0.000000       8.596438  
1 1 1 -25 47  16 o 33.361  8.5374  740.342    309.764  740.342    309.764  0.0000     0.0000   33.361  8.5374  ?       ?       0.000000       8.537368  
1 1 1 -25 47  17 o 36.016  8.5559  868.450    328.812  868.450    328.812  0.0000     0.0000   36.016  8.5559  ?       ?       0.000000       8.555943  
1 1 1 -25 47  18 o 26.379  9.2724  475.673    328.388  475.673    328.388  0.0000     0.0000   26.379  9.2724  ?       ?       0.000000       9.272396  
1 1 1 -25 47  19 o 17.999  8.0664  -5.3737    324.946  -5.3737    324.946  0.0000     0.0000   17.999  8.0664  ?       ?       0.000000       8.066397  
1 1 1 -25 48  1  o 20.395  8.3310  130.049    291.490  -94.0510   381.940  442.645    451.093  19.460  8.7314  28.468  10.733  -9.007685      13.83563  
1 1 1 -25 48  2  o 29.317  8.9148  525.509    308.237  583.617    404.576  445.115    475.877  30.823  10.309  28.789  10.983  2.034388       15.06266  
1 1 1 -25 48  3  o 42.919  2.3912  1008.27    110.718  1169.27    423.781  996.473    114.701  43.371  9.3004  42.647  2.4941  0.7246246      9.628977  
1 1 1 -25 48  4  o 73.833  2.9968  2988.21    239.653  3025.86    260.688  2782.74    608.976  74.220  3.2429  68.100  8.4369  6.120247       9.038626  
1 1 1 -25 48  5  o 22.098  5.9109  286.962    144.234  321.650    150.954  -76.8073   488.842  23.362  5.9496  22.083  9.8954  1.278679       11.54630  
1 1 1 -25 48  6  o 64.890  3.1819  2314.03    223.635  2354.40    250.513  2155.60    496.266  65.244  3.5585  60.109  7.8070  5.134808       8.579747  
1 1 1 -25 48  7  o 16.546  6.4078  111.492    163.696  216.533    181.421  -348.6359  379.704  19.942  6.8985  16.753  7.9222  3.188963       10.50482  
1 1 1 -25 48  8  o 69.529  3.2523  2663.15    244.922  2814.62    277.337  2126.43    522.055  71.255  3.6052  58.967  8.4125  12.28841       9.152514  
1 1 1 -25 48  9  o 17.688  7.0378  118.093    202.079  57.026     237.538  278.065    384.463  17.423  7.3508  24.336  9.6996  -6.912584      12.17029  
1 1 1 -25 48  10 o 34.365  5.1405  684.027    185.456  697.894    207.191  628.142    415.942  34.448  5.7562  30.850  10.452  3.597921       11.93205  
1 1 1 -25 48  11 f 17.959  6.8200  152.473    182.989  149.693    207.326  162.272    389.259  18.442  7.1920  22.346  9.4179  -3.904446      11.84997  
1 1 1 -25 48  12 f 26.366  7.2943  432.155    215.332  511.910    254.489  231.140    404.023  28.428  7.9530  23.525  9.7302  4.902288       12.56693  
1 1 1 -25 48  13 o 48.453  4.7988  1345.90    248.530  1374.83    295.566  1276.08    459.176  48.412  5.7492  43.468  9.9657  4.943104       11.50515  
1 1 1 -25 48  14 f 48.411  6.4943  1409.80    331.937  1409.80    331.937  0.0000     0.0000   48.411  6.4943  ?       ?       0.000000       6.494262  
1 1 1 -25 48  15 o 27.136  8.5914  481.810    283.054  481.810    283.054  0.0000     0.0000   27.136  8.5914  ?       ?       0.000000       8.591382  
1 1 1 -25 48  16 o 15.996  7.2961  -92.7249   280.044  -92.7249   280.044  0.0000     0.0000   15.996  7.2961  ?       ?       0.000000       7.296070  
1 1 1 -25 48  17 o 33.330  8.8006  757.774    322.397  757.774    322.397  0.0000     0.0000   33.330  8.8006  ?       ?       0.000000       8.800640  
1 1 1 -25 48  18 o 47.836  7.1732  1446.21    360.200  1446.21    360.200  0.0000     0.0000   47.836  7.1732  ?       ?       0.000000       7.173236  
1 1 1 -25 48  19 o 23.054  9.0786  315.023    333.073  315.023    333.073  0.0000     0.0000   23.054  9.0786  ?       ?       0.000000       9.078619  
1 1 1 -25 49  1  o 74.515  5.0666  3132.09    406.484  3115.91    551.189  3151.39    601.857  72.981  7.0613  72.863  7.7451  0.1183243      10.48087  
1 1 1 -25 49  2  o 69.423  5.2702  2727.75    393.321  3018.53    531.232  2374.95    585.149  71.975  6.8990  62.343  8.9201  9.631718       11.27674  
1 1 1 -25 49  3  o 57.012  5.8921  1864.59    358.594  1989.79    474.515  1697.89    547.547  57.770  7.7816  51.709  10.139  6.060822       12.78078  
1 1 1 -25 49  4  f 63.076  2.1829  2169.60    149.131  2061.20    218.281  2264.49    204.226  61.121  3.3096  64.261  2.9342  -3.140465      4.423029  
1 1 1 -25 49  5  f 76.867  3.0432  3244.28    253.365  3298.61    277.026  2966.34    626.560  77.414  3.3039  70.031  8.4298  7.382942       9.054131  
1 1 1 -25 49  6  o 33.902  4.7476  655.263    169.546  713.533    182.682  293.234    455.350  35.345  4.9041  25.842  10.466  9.502699       11.55818  
1 1 1 -25 49  7  o 3.6240  1.7909  -58.0232   25.727   131.777    168.479  -62.5547   26.033   17.196  6.5408  3.5668  1.7695  13.62950       6.775906  
1 1 1 -25 49  8  o 26.167  5.9989  408.042    166.390  358.968    183.462  635.525    394.996  24.389  6.7269  31.279  10.174  -6.889235      12.19670  
1 1 1 -25 49  9  o 23.950  7.3279  347.860    207.825  273.508    244.097  543.770    396.227  22.177  7.9731  29.199  10.190  -7.022205      12.93826  
1 1 1 -25 49  10 o 30.887  5.9493  567.733    191.807  621.594    217.262  377.432    408.386  32.112  6.4703  26.046  10.112  6.065439       12.00452  
1 1 1 -25 49  11 o 11.485  5.4302  -181.3047  178.270  -177.4324  202.068  -194.9007  378.631  12.510  5.8731  17.822  8.2569  -5.312431      10.13261  
1 1 1 -25 49  12 o 21.813  2.3865  263.762    55.463   699.806    272.382  244.900    56.650   33.370  7.6936  20.975  2.5458  12.39550       8.103860  
1 1 1 -25 49  13 o 17.306  7.5421  17.030     265.522  17.030     265.522  0.0000     0.0000   17.306  7.5421  ?       ?       0.000000       7.542104  
1 1 1 -25 49  14 o 30.527  8.1407  603.527    274.097  603.527    274.097  0.0000     0.0000   30.527  8.1407  ?       ?       0.000000       8.140674  
1 1 1 -25 49  15 o 37.617  8.2260  919.529    325.811  919.529    325.811  0.0000     0.0000   37.617  8.2260  ?       ?       0.000000       8.225958  
1 1 1 -25 49  16 o 28.952  8.8031  566.731    300.567  566.731    300.567  0.0000     0.0000   28.952  8.8031  ?       ?       0.000000       8.803112  
1 1 1 -25 49  17 o 29.507  9.0460  602.361    316.522  602.361    316.522  0.0000     0.0000   29.507  9.0460  ?       ?       0.000000       9.045997  
1 1 1 -25 49  18 o 25.435  9.1614  434.171    322.418  434.171    322.418  0.0000     0.0000   25.435  9.1614  ?       ?       0.000000       9.161407  
1 1 1 -25 49  19 o 24.818  9.2556  406.327    333.695  406.327    333.695  0.0000     0.0000   24.818  9.2556  ?       ?       0.000000       9.255579  
1 1 1 -25 50  1  o 38.922  7.9265  925.446    322.802  1384.58    431.149  339.770    486.950  47.308  8.7362  26.941  10.854  20.36743       13.93305  
1 1 1 -25 50  2  o 68.118  5.3377  2636.82    390.659  2582.18    526.678  2703.65    582.478  65.935  7.5089  66.929  8.2072  -0.9941330     11.12392  
1 1 1 -25 50  3  o 78.014  5.0150  3436.04    421.508  3504.76    568.202  3351.94    628.564  77.463  6.8427  74.890  7.8668  2.573769       10.42631  
1 1 1 -25 50  4  o 53.044  3.1811  1553.06    181.916  1532.34    193.197  1715.05    540.282  52.614  3.4085  51.836  9.9854  0.7784843      10.55118  
1 1 1 -25 50  5  o 18.550  1.6579  188.645    32.959   91.032     144.132  194.031    33.856   15.361  5.9949  18.812  1.6792  -3.451086      6.225651  
1 1 1 -25 50  6  o 49.262  3.6797  1350.70    194.918  1391.49    212.304  1131.78    491.807  49.899  3.9608  41.080  10.881  8.819675       11.57911  
1 1 1 -25 50  7  o 49.903  3.7265  1388.42    199.967  1470.14    223.505  1060.59    447.655  51.223  4.0619  39.990  10.279  11.23291       11.05244  
1 1 1 -25 50  8  o 15.467  6.2775  72.982     164.180  62.374     182.156  118.908    379.022  15.807  6.5352  21.698  9.2261  -5.891341      11.30619  
1 1 1 -25 50  9  o 21.891  7.4655  277.995    212.228  236.024    251.352  382.224    396.096  21.337  8.0179  26.045  9.9997  -4.708750      12.81725  
1 1 1 -25 50  10 o 34.929  5.1519  708.244    189.051  786.410    211.931  403.745    418.292  36.673  5.5055  26.525  10.251  10.14837       11.63615  
1 1 1 -25 50  11 o 17.942  7.0028  140.246    196.680  170.524    227.403  50.353     391.829  19.331  7.5340  20.834  9.1183  -1.502134      11.82814  
1 1 1 -25 50  12 o 24.713  8.0769  378.621    248.834  378.621    248.834  0.0000     0.0000   24.713  8.0769  ?       ?       0.000000       8.076880  
1 1 1 -25 50  13 o 35.271  7.2253  773.706    266.743  773.706    266.743  0.0000     0.0000   35.271  7.2253  ?       ?       0.000000       7.225310  
1 1 1 -25 50  14 o 24.852  8.7370  386.271    291.568  386.271    291.568  0.0000     0.0000   24.852  8.7370  ?       ?       0.000000       8.737021  
1 1 1 -25 50  15 o 31.914  8.2838  670.880    288.837  670.880    288.837  0.0000     0.0000   31.914  8.2838  ?       ?       0.000000       8.283768  
1 1 1 -25 50  16 o 15.088  7.1307  -243.1918  306.868  -243.1918  306.868  0.0000     0.0000   15.088  7.1307  ?       ?       0.000000       7.130707  
1 1 1 -25 50  17 o 18.223  7.9628  49.364     297.757  49.364     297.757  0.0000     0.0000   18.223  7.9628  ?       ?       0.000000       7.962821  
1 1 1 -25 50  18 o 20.941  8.6363  202.145    316.989  202.145    316.989  0.0000     0.0000   20.941  8.6363  ?       ?       0.000000       8.636267  
1 1 1 -25 51  1  o 37.147  2.2578  756.308    90.410   741.522    91.987   1176.61    490.431  36.768  2.3218  42.000  10.739  -5.232094      10.98724  
1 1 1 -25 51  2  o 31.088  8.8990  610.527    314.871  479.706    415.415  787.170    482.715  28.384  10.372  34.334  11.251  -5.949883      15.30254  
1 1 1 -25 51  3  o 25.089  8.9028  362.262    303.394  385.612    392.321  327.521    478.537  26.452  10.0000 26.524  10.734  -0.7150078E-01 14.67038  
1 1 1 -25 51  4  o 26.645  8.9360  430.444    304.019  586.783    388.185  182.419    488.938  30.361  10.096  24.683  10.487  5.677908       14.55686  
1 1 1 -25 51  5  o 52.924  3.3442  1551.65    190.708  1543.88    203.524  1607.63    546.060  52.702  3.5868  49.391  10.529  3.310207       11.12337  
1 1 1 -25 51  6  o 42.277  4.1437  1005.94    187.303  1049.45    200.313  703.245    528.359  43.108  4.3497  32.527  11.726  10.58050       12.50710  
1 1 1 -25 51  7  o 29.397  2.0084  473.646    63.565   654.889    197.255  452.644    67.147   33.418  5.6512  28.705  2.1760  4.713602       6.055635  
1 1 1 -25 51  8  o 20.424  1.4005  227.802    30.793   151.697    183.096  230.017    31.238   17.978  6.8232  20.521  1.4141  -2.543888      6.968204  
1 1 1 -25 51  9  o 43.434  6.6573  1130.07    303.199  1056.22    418.531  1211.62    439.839  39.860  9.7701  42.834  9.7053  -2.973843      13.77127  
1 1 1 -25 51  10 o 53.963  2.5094  1597.22    146.671  1715.46    278.754  1551.95    172.477  54.868  4.7371  52.963  3.0192  1.905544       5.617436  
1 1 1 -25 51  11 o 25.317  1.6761  350.664    45.702   388.078    251.208  349.383    46.477   25.011  8.1123  25.266  1.7084  -0.2543774     8.290276  
1 1 1 -25 51  12 o 44.797  5.4958  1172.49    261.059  1172.49    261.059  0.0000     0.0000   44.797  5.4958  ?       ?       0.000000       5.495772  
1 1 1 -25 51  13 o 23.007  8.0190  318.344    245.361  318.344    245.361  0.0000     0.0000   23.007  8.0190  ?       ?       0.000000       8.018989  
1 1 1 -25 51  14 o 22.998  8.3908  314.045    271.701  314.045    271.701  0.0000     0.0000   22.998  8.3908  ?       ?       0.000000       8.390801  
1 1 1 -25 51  15 o 38.341  7.4126  929.615    296.693  929.615    296.693  0.0000     0.0000   38.341  7.4126  ?       ?       0.000000       7.412633  
1 1 1 -25 51  16 o 20.233  8.5077  150.225    316.476  150.225    316.476  0.0000     0.0000   20.233  8.5077  ?       ?       0.000000       8.507673  
1 1 1 -25 51  17 o 28.362  9.0835  558.480    315.712  558.480    315.712  0.0000     0.0000   28.362  9.0835  ?       ?       0.000000       9.083497  
1 1 1 -25 51  18 o 64.163  5.8176  2467.19    399.896  2467.19    399.896  0.0000     0.0000   64.163  5.8176  ?       ?       0.000000       5.817564  
1 1 1 -25 52  1  o 89.135  4.8498  4494.03    466.449  4724.57    640.210  4233.18    680.996  89.770  6.6314  84.001  7.5661  5.768341       10.06091  
1 1 1 -25 52  2  o 60.853  5.7185  2135.74    372.485  2192.73    502.010  2065.93    555.604  60.073  7.9076  57.164  9.2929  2.909248       12.20195  
1 1 1 -25 52  3  o 21.926  8.6245  218.317    300.266  358.118    390.153  15.217     470.258  25.789  9.9190  22.279  9.8605  3.510683       13.98627  
1 1 1 -25 52  4  o 19.292  8.1489  81.379     292.490  103.128    370.975  45.647     475.500  21.380  9.1101  22.690  9.9849  -1.310186      13.51634  
1 1 1 -25 52  5  o 22.916  1.3997  286.468    34.575   136.888    136.248  296.764    35.745   16.479  5.9526  23.323  1.4218  -6.844025      6.120064  
1 1 1 -25 52  6  o 33.482  4.8165  644.583    169.641  639.637    179.834  684.546    511.142  33.212  5.1673  31.967  11.532  1.244423       12.63704  
1 1 1 -25 52  7  o 48.073  3.8108  1293.79    196.795  1280.10    219.238  1350.54    446.503  47.607  4.2982  45.718  9.3329  1.889217       10.27510  
1 1 1 -25 52  8  o 52.714  3.6511  1551.25    207.174  1654.90    231.958  1142.45    460.642  54.307  3.9710  41.059  10.359  13.24850       11.09385  
1 1 1 -25 52  9  o 12.541  5.9897  -264.7757  228.106  -279.3053  288.364  -240.4836  372.861  14.466  6.8592  17.260  8.0626  -2.793546      10.58559  
1 1 1 -25 52  10 o 26.862  6.8992  444.454    201.780  405.093    232.014  566.645    408.788  25.507  7.7296  29.381  10.344  -3.873848      12.91286  
1 1 1 -25 52  11 o 40.474  6.0977  973.675    259.014  973.675    259.014  0.0000     0.0000   40.474  6.0977  ?       ?       0.000000       6.097666  
1 1 1 -25 52  12 o 20.156  7.4711  217.368    216.770  217.368    216.770  0.0000     0.0000   20.156  7.4711  ?       ?       0.000000       7.471078  
1 1 1 -25 52  13 o 16.712  7.3596  -4.6482    258.746  -4.6482    258.746  0.0000     0.0000   16.712  7.3596  ?       ?       0.000000       7.359557  
1 1 1 -25 52  14 o 15.133  7.0023  -146.1899  271.045  -146.1899  271.045  0.0000     0.0000   15.133  7.0023  ?       ?       0.000000       7.002265  
1 1 1 -25 52  15 o 22.456  8.6953  282.218    301.390  282.218    301.390  0.0000     0.0000   22.456  8.6953  ?       ?       0.000000       8.695307  
1 1 1 -25 52  16 o 14.901  6.9325  -156.9273  271.244  -156.9273  271.244  0.0000     0.0000   14.901  6.9325  ?       ?       0.000000       6.932545  
1 1 1 -25 52  17 o 17.351  7.9135  -75.7101   329.393  -75.7101   329.393  0.0000     0.0000   17.351  7.9135  ?       ?       0.000000       7.913479  
1 1 1 -25 52  18 o 22.267  8.8456  275.056    318.763  275.056    318.763  0.0000     0.0000   22.267  8.8456  ?       ?       0.000000       8.845582  
1 1 1 -25 53  1  o 60.486  5.7336  2119.24    371.139  2075.28    501.532  2172.45    551.801  57.965  8.2187  58.666  8.9691  -0.7009201     12.16515  
1 1 1 -25 53  2  o 69.733  5.3453  2787.58    400.644  3386.66    543.335  2073.67    593.126  75.748  6.6914  56.311  10.096  19.43681       12.11190  
1 1 1 -25 53  3  o 24.127  8.8793  327.387    305.201  384.688    396.350  243.918    478.363  26.185  10.015  25.034  10.490  1.150801       14.50270  
1 1 1 -25 53  4  o 56.482  5.9897  1860.24    360.835  1699.89    471.187  2087.62    561.106  52.058  8.6611  57.130  9.3946  -5.072525      12.77785  
1 1 1 -25 53  5  o 33.765  4.0790  645.180    146.152  589.612    152.618  1259.54    507.460  32.104  4.5138  42.865  10.904  -10.76087      11.80157  
1 1 1 -25 53  6  f 29.100  5.2447  495.380    159.220  548.409    167.864  19.884     502.661  30.653  5.2447  22.713  10.116  7.939400       11.39484  
1 1 1 -25 53  7  o 23.052  6.3090  320.687    162.110  305.300    177.936  395.826    393.204  22.510  6.7574  26.231  9.9887  -3.721773      12.05974  
1 1 1 -25 53  8  o 4.1728  1.9991  -36.4372   25.835   64.053     211.767  -37.9554   26.029   16.703  6.9876  4.1522  1.9938  12.55123       7.266469  
1 1 1 -25 53  9  o 38.106  2.1856  796.550    89.828   958.432    352.343  785.297    92.897   38.655  8.6336  37.813  2.2789  0.8416214      8.929335  
1 1 1 -25 53  10 o 23.128  7.5217  324.318    215.899  324.318    215.899  0.0000     0.0000   23.128  7.5217  ?       ?       0.000000       7.521683  
1 1 1 -25 53  11 o 25.999  7.5731  425.059    226.256  425.059    226.256  0.0000     0.0000   25.999  7.5731  ?       ?       0.000000       7.573122  
1 1 1 -25 53  12 o 62.094  4.8425  2211.50    323.105  2211.50    323.105  0.0000     0.0000   62.094  4.8425  ?       ?       0.000000       4.842546  
1 1 1 -25 53  13 o 33.166  7.4061  695.387    259.317  695.387    259.317  0.0000     0.0000   33.166  7.4061  ?       ?       0.000000       7.406125  
1 1 1 -25 53  14 o 21.241  8.1947  240.664    266.927  240.664    266.927  0.0000     0.0000   21.241  8.1947  ?       ?       0.000000       8.194735  
1 1 1 -25 53  15 o 29.660  8.4262  588.293    283.403  588.293    283.403  0.0000     0.0000   29.660  8.4262  ?       ?       0.000000       8.426191  
1 1 1 -25 53  16 o 36.515  8.0256  876.096    308.755  876.096    308.755  0.0000     0.0000   36.515  8.0256  ?       ?       0.000000       8.025603  
1 1 1 -25 53  17 o 21.521  8.8899  216.346    336.648  216.346    336.648  0.0000     0.0000   21.521  8.8899  ?       ?       0.000000       8.889920  
1 1 1 -25 54  1  o 23.167  8.7992  285.108    304.634  286.966    403.895  282.655    463.960  24.537  9.8853  25.261  10.436  -0.7237949     14.37446  
1 1 1 -25 54  2  o 64.108  3.1905  2269.42    221.530  2204.90    240.339  2633.91    571.229  62.958  3.5389  65.254  8.2677  -2.295830      8.993210  
1 1 1 -25 54  3  o 45.299  7.1779  1241.93    340.434  1457.42    449.333  951.535    521.601  47.788  9.0117  36.614  11.670  11.17428       14.74461  
1 1 1 -25 54  4  o 67.329  5.4136  2607.87    391.444  2292.63    516.158  3034.60    600.548  61.071  7.9954  70.309  8.0302  -9.238956      11.33179  
1 1 1 -25 54  5  o 14.919  2.2261  124.297    34.870   147.634    372.489  124.090    35.024   21.894  9.2192  14.904  2.2388  6.989642       9.487162  
1 1 1 -25 54  6  o 25.876  5.7271  399.020    156.266  436.039    164.422  53.400     502.396  27.053  5.7865  23.037  10.194  4.016632       11.72193  
1 1 1 -25 54  7  o 22.373  6.7178  301.571    175.843  330.454    196.399  184.857    394.807  23.329  7.1210  22.795  9.5388  0.5341148      11.90366  
1 1 1 -25 54  8  o 12.340  5.7360  -137.8334  185.044  -32.7281   211.662  -478.6551  381.149  14.935  6.6126  15.526  7.4991  -0.5906944     9.998135  
1 1 1 -25 54  9  o 32.687  9.6928  716.290    367.772  716.290    367.772  0.0000     0.0000   32.687  9.6928  ?       ?       0.000000       9.692812  
1 1 1 -25 54  10 o 47.025  4.9598  1272.98    248.803  1272.98    248.803  0.0000     0.0000   47.025  4.9598  ?       ?       0.000000       4.959760  
1 1 1 -25 54  11 o 20.297  7.5983  217.348    225.308  217.348    225.308  0.0000     0.0000   20.297  7.5983  ?       ?       0.000000       7.598266  
1 1 1 -25 54  12 o 23.392  8.0533  334.324    247.097  334.324    247.097  0.0000     0.0000   23.392  8.0533  ?       ?       0.000000       8.053271  
1 1 1 -25 54  13 o 37.424  7.6775  890.300    300.766  890.300    300.766  0.0000     0.0000   37.424  7.6775  ?       ?       0.000000       7.677497  
1 1 1 -25 54  14 o 31.031  8.5334  643.235    295.746  643.235    295.746  0.0000     0.0000   31.031  8.5334  ?       ?       0.000000       8.533430  
1 1 1 -25 54  15 o 19.577  7.9571  166.846    264.238  166.846    264.238  0.0000     0.0000   19.577  7.9571  ?       ?       0.000000       7.957108  
1 1 1 -25 54  16 o 24.476  9.0885  381.306    321.075  381.306    321.075  0.0000     0.0000   24.476  9.0885  ?       ?       0.000000       9.088519  
1 1 1 -25 54  17 o 21.344  8.8444  206.934    334.697  206.934    334.697  0.0000     0.0000   21.344  8.8444  ?       ?       0.000000       8.844363  
1 1 1 -25 55  1  o 87.856  4.8922  4388.33    463.678  4446.42    638.348  4323.46    674.635  86.485  6.8713  84.645  7.4340  1.840492       10.12317  
1 1 1 -25 55  2  o 47.272  6.9658  1344.51    345.966  1231.56    461.451  1489.51    522.816  42.941  10.092  46.968  10.537  -4.027473      14.59011  
1 1 1 -25 55  3  o 22.857  2.2492  288.389    54.960   661.923    406.415  281.431    55.469   31.486  10.324  22.566  2.3017  8.919340       10.57724  
1 1 1 -25 55  4  o 25.558  8.9941  394.503    309.029  341.538    395.202  477.852    495.765  25.321  9.9143  28.429  11.112  -3.108646      14.89183  
1 1 1 -25 55  5  o 20.166  9.3131  -188.3572  476.132  0.0000     0.0000   -188.3572  476.132  ?       ?       20.166  9.3131  0.000000       9.313097  
1 1 1 -25 55  6  o 22.640  10.021  47.066     485.871  0.0000     0.0000   47.066     485.871  ?       ?       22.640  10.021  0.000000       10.02144  
1 1 1 -25 55  7  o 24.047  10.160  209.650    454.772  0.0000     0.0000   209.650    454.772  ?       ?       24.047  10.160  0.000000       10.15958  
1 1 1 -25 55  8  o 35.429  6.2508  751.184    231.094  751.184    231.094  0.0000     0.0000   35.429  6.2508  ?       ?       0.000000       6.250752  
1 1 1 -25 55  9  o 80.004  4.4616  3623.92    385.072  3623.92    385.072  0.0000     0.0000   80.004  4.4616  ?       ?       0.000000       4.461646  
1 1 1 -25 55  10 o 64.547  6.9563  2516.08    478.635  2516.08    478.635  0.0000     0.0000   64.547  6.9563  ?       ?       0.000000       6.956283  
1 1 1 -25 55  11 o 31.442  6.9289  612.564    229.603  612.564    229.603  0.0000     0.0000   31.442  6.9289  ?       ?       0.000000       6.928917  
1 1 1 -25 55  12 o 78.699  4.4100  3521.68    374.396  3521.68    374.396  0.0000     0.0000   78.699  4.4100  ?       ?       0.000000       4.410047  
1 1 1 -25 55  13 o 42.351  6.4057  1088.30    284.655  1088.30    284.655  0.0000     0.0000   42.351  6.4057  ?       ?       0.000000       6.405714  
1 1 1 -25 55  14 o 58.664  5.1771  2008.34    325.576  2008.34    325.576  0.0000     0.0000   58.664  5.1771  ?       ?       0.000000       5.177082  
1 1 1 -25 55  15 f 25.407  8.8494  425.250    298.787  425.250    298.787  0.0000     0.0000   25.407  8.8494  ?       ?       0.000000       8.849418  
1 1 1 -25 55  16 o 27.383  9.2620  514.854    326.630  514.854    326.630  0.0000     0.0000   27.383  9.2620  ?       ?       0.000000       9.262001  
1 1 1 -25 56  1  o 36.362  11.268  933.469    489.626  0.0000     0.0000   933.469    489.626  ?       ?       36.362  11.268  0.000000       11.26808  
1 1 1 -25 56  2  o 20.375  9.3049  -120.5990  457.284  0.0000     0.0000   -120.5990  457.284  ?       ?       20.375  9.3049  0.000000       9.304945  
1 1 1 -25 56  3  o 17.686  8.4527  -440.7802  455.936  0.0000     0.0000   -440.7802  455.936  ?       ?       17.686  8.4527  0.000000       8.452748  
1 1 1 -25 56  4  o 66.643  8.6712  2789.31    611.079  0.0000     0.0000   2789.31    611.079  ?       ?       66.643  8.6712  0.000000       8.671240  
1 1 1 -25 56  5  o 48.037  10.905  1583.91    554.429  0.0000     0.0000   1583.91    554.429  ?       ?       48.037  10.905  0.000000       10.90544  
1 1 1 -25 56  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 56  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 56  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 56  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 56  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 56  11 f 36.927  6.7122  835.122    258.569  835.122    258.569  0.0000     0.0000   36.927  6.7122  ?       ?       0.000000       6.712190  
1 1 1 -25 56  12 o 43.848  5.7613  1140.75    266.995  1140.75    266.995  0.0000     0.0000   43.848  5.7613  ?       ?       0.000000       5.761316  
1 1 1 -25 56  13 o 12.488  5.9067  -198.4374  211.320  -198.4374  211.320  0.0000     0.0000   12.488  5.9067  ?       ?       0.000000       5.906670  
1 1 1 -25 56  14 o 19.981  8.0084  186.724    263.604  186.724    263.604  0.0000     0.0000   19.981  8.0084  ?       ?       0.000000       8.008399  
1 1 1 -25 56  15 o 16.441  7.1757  20.868     241.157  20.868     241.157  0.0000     0.0000   16.441  7.1757  ?       ?       0.000000       7.175725  
1 1 1 -25 56  16 o 32.543  8.0990  701.683    284.332  701.683    284.332  0.0000     0.0000   32.543  8.0990  ?       ?       0.000000       8.099008  
1 1 1 -25 57  1  o 22.354  9.8059  74.530     455.453  0.0000     0.0000   74.530     455.453  ?       ?       22.354  9.8059  0.000000       9.805922  
1 1 1 -25 57  2  o 30.445  11.192  614.810    484.744  0.0000     0.0000   614.810    484.744  ?       ?       30.445  11.192  0.000000       11.19249  
1 1 1 -25 57  3  o 38.524  11.518  1062.25    517.715  0.0000     0.0000   1062.25    517.715  ?       ?       38.524  11.518  0.000000       11.51771  
1 1 1 -25 57  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 57  14 o 48.277  10.374  1660.95    526.297  1660.95    526.297  0.0000     0.0000   48.277  10.374  ?       ?       0.000000       10.37423  
1 1 1 -25 57  15 o 48.483  6.3538  1430.34    325.618  1430.34    325.618  0.0000     0.0000   48.483  6.3538  ?       ?       0.000000       6.353781  
1 1 1 -25 58  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 58  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 59  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 60  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 61  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 62  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 63  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 64  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 65  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 66  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 67  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 68  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 68  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 68  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 68  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -25 68  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 0   1  f 18.950  9.6063  291.470    245.913  291.470    245.913  291.470    245.913  18.950  9.6063  18.950  9.6063  0.000000       0.000000  
1 1 1 -24 0   2  o 45.588  6.6416  1204.83    307.625  1204.83    307.625  1204.83    307.625  45.588  6.6416  45.588  6.6416  0.000000       0.000000  
1 1 1 -24 0   3  o 39.649  8.7259  976.363    327.885  976.363    327.885  976.363    327.885  39.649  8.7259  39.649  8.7259  0.000000       0.000000  
1 1 1 -24 0   4  o 134.089 4.5848  9817.64    664.102  9817.64    664.102  9817.64    664.102  134.089 4.5848  134.089 4.5848  0.000000       0.000000  
1 1 1 -24 0   5  o 187.148 5.4131  19144.09   1095.17  19144.09   1095.17  19144.09   1095.17  187.148 5.4131  187.148 5.4131  0.000000       0.000000  
1 1 1 -24 0   6  o 42.168  7.7698  1066.76    319.367  1066.76    319.367  1066.76    319.367  42.168  7.7698  42.168  7.7698  0.000000       0.000000  
1 1 1 -24 0   7  o 59.474  5.4629  1977.16    345.073  1977.16    345.073  1977.16    345.073  59.474  5.4629  59.474  5.4629  -0.000000      0.000000  
1 1 1 -24 0   8  o 22.182  9.8983  392.179    252.521  392.179    252.521  392.179    252.521  22.182  9.8983  22.182  9.8983  0.000000       0.000000  
1 1 1 -24 0   9  o 87.315  4.3478  4180.02    408.850  4180.02    408.850  4180.02    408.850  87.315  4.3478  87.315  4.3478  -0.000000      0.000000  
1 1 1 -24 0   10 o 53.077  5.6548  1590.06    315.794  1590.06    315.794  1590.06    315.794  53.077  5.6548  53.077  5.6548  0.000000       0.000000  
1 1 1 -24 0   11 o 27.852  9.7120  559.268    264.937  559.268    264.937  559.268    264.937  27.852  9.7120  27.852  9.7120  0.000000       0.000000  
1 1 1 -24 0   12 o 11.051  7.5566  -171.7906  284.921  -171.7906  284.921  -171.7906  284.921  11.051  7.5566  11.051  7.5566  -0.000000      0.000000  
1 1 1 -24 0   13 o 37.363  6.6435  833.597    243.506  833.597    243.506  833.597    243.506  37.363  6.6435  37.363  6.6435  -0.000000      0.000000  
1 1 1 -24 0   14 o 15.701  9.0033  178.699    243.115  178.699    243.115  178.699    243.115  15.701  9.0033  15.701  9.0033  -0.000000      0.000000  
1 1 1 -24 0   15 o 18.759  9.6164  290.582    248.019  290.582    248.019  290.582    248.019  18.759  9.6164  18.759  9.6164  0.000000       0.000000  
1 1 1 -24 0   16 o 52.686  6.1936  1589.57    340.635  1589.57    340.635  1589.57    340.635  52.686  6.1936  52.686  6.1936  -0.000000      0.000000  
1 1 1 -24 0   17 o 93.491  4.6565  4820.74    468.854  4820.74    468.854  4820.74    468.854  93.491  4.6565  93.491  4.6565  -0.000000      0.000000  
1 1 1 -24 0   18 f 57.028  6.1489  1857.86    368.625  1857.86    368.625  1857.86    368.625  57.028  6.1489  57.028  6.1489  -0.000000      0.000000  
1 1 1 -24 0   19 o 38.371  9.3285  957.801    335.955  957.801    335.955  957.801    335.955  38.371  9.3285  38.371  9.3285  0.000000       0.000000  
1 1 1 -24 0   20 o 58.186  6.0997  1939.20    374.746  1939.20    374.746  1939.20    374.746  58.186  6.0997  58.186  6.0997  0.000000       0.000000  
1 1 1 -24 0   21 o 31.627  10.905  749.692    336.363  749.692    336.363  749.692    336.363  31.627  10.905  31.627  10.905  0.000000       0.000000  
1 1 1 -24 0   22 f 19.936  10.830  357.228    329.497  357.228    329.497  357.228    329.497  19.936  10.830  19.936  10.830  0.000000       0.000000  
1 1 1 -24 0   23 o 46.341  7.8273  1335.71    359.217  1335.71    359.217  1335.71    359.217  46.341  7.8273  46.341  7.8273  0.000000       0.000000  
1 1 1 -24 0   24 o 26.435  11.444  615.774    337.899  615.774    337.899  615.774    337.899  26.435  11.444  26.435  11.444  -0.000000      0.000000  
1 1 1 -24 0   25 o 10.231  7.2103  -299.6771  316.383  -299.6771  316.383  -299.6771  316.383  10.231  7.2103  10.231  7.2103  0.000000       0.000000  
1 1 1 -24 0   26 o 15.580  10.371  36.154     471.386  36.154     471.386  36.154     471.386  15.580  10.371  15.580  10.371  0.000000       0.000000  
1 1 1 -24 0   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 1   1  o 96.922  3.0064  5108.22    315.599  5186.06    441.170  5026.64    451.664  97.471  4.1789  95.930  4.3470  1.540939       6.029883  
1 1 1 -24 1   2  o 142.150 3.3295  10997.71   512.618  10459.91   724.224  11537.68   725.680  138.248 4.8366  145.265 4.6123  -7.016724      6.683253  
1 1 1 -24 1   3  o 84.713  3.1794  3904.08    291.722  3928.62    403.544  3877.22    422.203  84.688  4.4148  84.078  4.6544  0.6102829      6.415116  
1 1 1 -24 1   4  o 37.486  5.9240  791.128    232.532  846.438    370.934  755.321    298.457  38.089  9.1135  36.180  7.8426  1.908760       12.02339  
1 1 1 -24 1   5  o 56.957  3.9632  1778.05    242.966  1883.01    367.010  1696.16    324.176  58.212  5.9026  55.319  5.4827  2.893124       8.056123  
1 1 1 -24 1   6  o 72.102  3.4408  2831.37    268.709  2881.51    369.903  2775.35    390.999  72.405  4.7430  70.966  5.1214  1.439049       6.980312  
1 1 1 -24 1   7  o 146.570 3.3795  11699.68   536.502  12310.65   763.680  11104.30   753.873  149.955 4.7020  142.356 4.8894  7.599152       6.783391  
1 1 1 -24 1   8  o 66.266  3.5446  2400.02    253.484  2494.78    357.707  2304.44    359.258  67.280  4.9434  64.593  5.1787  2.687218       7.159333  
1 1 1 -24 1   9  o 74.546  3.3901  3028.03    273.721  2967.14    385.885  3089.69    388.327  73.396  4.8820  74.921  4.8109  -1.524345      6.854095  
1 1 1 -24 1   10 o 39.111  5.3091  856.313    219.088  880.051    326.665  836.905    295.368  38.948  8.0110  38.113  7.4220  0.8348999      10.92074  
1 1 1 -24 1   11 o 41.304  4.8291  949.311    211.960  859.535    313.522  1024.89    287.659  38.493  7.7874  42.520  6.4486  -4.026527      10.11077  
1 1 1 -24 1   12 o 63.980  3.9069  2247.33    269.441  2264.32    370.254  2228.21    392.843  63.832  5.4062  63.195  5.8043  0.6371918      7.932025  
1 1 1 -24 1   13 o 88.115  3.2165  4235.43    306.980  4126.27    359.866  4527.11    588.253  86.842  3.8260  90.083  6.0644  -3.240768      7.170387  
1 1 1 -24 1   14 o 56.171  3.5819  1732.19    216.783  1662.85    302.316  1805.57    311.025  54.630  5.1708  56.968  5.0945  -2.337460      7.258859  
1 1 1 -24 1   15 o 85.111  3.1001  3954.75    285.783  3814.81    402.946  4096.38    405.382  83.110  4.4930  86.180  4.3571  -3.069855      6.258751  
1 1 1 -24 1   16 o 97.347  3.1975  5181.11    337.137  5647.37    472.066  4695.73    481.647  101.244 4.3049  91.990  4.8513  9.253693       6.485898  
1 1 1 -24 1   17 o 132.699 3.3463  9645.97    480.950  9966.04    682.117  9329.53    678.232  134.145 4.6948  129.708 4.8277  4.437012       6.734077  
1 1 1 -24 1   18 o 105.419 3.3607  6096.44    383.728  6194.86    553.153  6005.14    532.767  105.545 4.8388  103.976 4.7308  1.568649       6.767178  
1 1 1 -24 1   19 o 71.218  3.7202  2801.18    285.969  2974.71    402.368  2624.05    406.507  72.767  5.1383  68.114  5.5586  4.653145       7.569682  
1 1 1 -24 1   20 o 51.929  4.5514  1513.64    253.408  1315.39    355.796  1717.74    361.006  47.167  7.1922  54.549  6.2216  -7.382065      9.509746  
1 1 1 -24 1   21 o 44.110  5.2720  1116.92    246.884  989.201    347.839  1246.58    350.468  39.878  8.3223  45.493  7.3644  -5.614384      11.11283  
1 1 1 -24 1   22 o 34.020  6.7593  707.428    240.284  619.953    338.673  796.091    340.965  30.521  9.3572  34.749  8.9908  -4.228762      12.97658  
1 1 1 -24 1   23 f 14.494  6.5726  -74.0361   223.104  -249.3057  308.902  117.094    322.576  15.134  7.1532  19.939  8.4956  -4.805056      11.10603  
1 1 1 -24 1   24 o 41.674  5.6418  1038.81    248.113  1105.30    351.760  972.975    350.016  40.987  8.2100  37.958  8.6998  3.028706       11.96201  
1 1 1 -24 1   25 o 41.495  5.7758  1044.70    252.541  1093.99    356.829  995.238    357.467  40.142  8.4733  37.831  8.8769  2.310745       12.27172  
1 1 1 -24 1   26 o 20.170  8.6277  167.683    335.060  95.740     472.077  240.714    475.636  21.174  9.5848  22.747  9.9986  -1.573112      13.85064  
1 1 1 -24 1   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 2   1  o 47.940  3.7316  1259.97    192.236  1312.42    267.851  1204.26    276.061  48.670  5.1598  46.506  5.5928  2.164776       7.609362  
1 1 1 -24 2   2  o 59.647  3.5296  1944.23    227.008  1608.91    324.885  2264.12    317.323  53.835  5.6564  64.193  4.5943  -10.35888      7.287157  
1 1 1 -24 2   3  o 120.530 3.1716  7903.21    414.047  8518.05    590.937  7310.28    580.308  124.876 4.3691  115.623 4.6339  9.253212       6.368799  
1 1 1 -24 2   4  o 24.858  7.0059  351.566    196.724  547.968    274.180  143.178    282.423  30.794  8.1087  21.063  8.3391  9.730972       11.63149  
1 1 1 -24 2   5  o 86.372  3.2050  4059.46    299.825  4180.92    414.901  3926.71    433.761  87.364  4.3988  84.577  4.7544  2.786423       6.477166  
1 1 1 -24 2   6  f 122.487 3.2234  8165.47    427.635  8617.58    611.341  7732.29    598.401  125.538 4.4961  118.876 4.6476  6.662102       6.466448  
1 1 1 -24 2   7  f 102.882 3.1564  5760.43    351.726  5629.38    484.452  5906.50    511.479  101.469 4.4081  103.905 4.5449  -2.436348      6.331401  
1 1 1 -24 2   8  o 14.677  6.2610  1.0453     175.582  -32.5685   243.947  37.176     252.917  16.656  7.2442  18.161  7.6194  -1.505157      10.51348  
1 1 1 -24 2   9  o 83.860  3.3169  3830.96    301.270  3874.24    424.727  3787.14    427.405  83.960  4.6893  82.986  4.7753  0.9745789      6.692737  
1 1 1 -24 2   10 o 80.240  3.4075  3509.87    296.139  3839.89    418.285  3178.22    419.324  83.568  4.6395  75.872  5.1328  7.695953       6.918887  
1 1 1 -24 2   11 o 119.322 3.2277  7760.04    417.137  7891.82    591.801  7629.93    588.059  119.952 4.5551  117.929 4.6040  2.023209       6.476529  
1 1 1 -24 2   12 o 90.550  3.3185  4472.79    325.467  4478.37    458.052  4467.10    462.540  90.159  4.7070  90.028  4.7604  0.1311874      6.694591  
1 1 1 -24 2   13 o 39.247  4.9962  861.697    207.564  864.247    247.419  855.638    381.366  39.025  6.0493  37.886  9.3507  1.139786       11.13681  
1 1 1 -24 2   14 o 16.671  6.5032  99.559     169.552  28.334     235.329  176.442    244.498  17.302  7.3090  20.608  7.8696  -3.305223      10.74023  
1 1 1 -24 2   15 o 16.177  6.4752  77.944     172.080  293.704    243.658  -136.7548  243.058  23.398  7.9992  14.944  6.8088  8.453509       10.50459  
1 1 1 -24 2   16 o 43.191  4.7065  1042.56    216.607  1040.89    296.805  1044.47    316.831  42.520  6.6637  42.413  7.1514  0.1073837      9.774874  
1 1 1 -24 2   17 o 92.373  3.3243  4673.53    332.597  4433.41    473.742  4906.91    467.056  89.248  4.9198  94.178  4.5788  -4.929131      6.720886  
1 1 1 -24 2   18 o 57.756  4.1540  1851.18    258.119  1970.56    366.050  1733.10    364.030  58.938  5.8098  55.061  6.2127  3.876560       8.505953  
1 1 1 -24 2   19 o 78.236  3.5642  3367.08    302.018  3199.35    425.029  3538.16    429.237  75.425  5.2352  79.455  5.0135  -4.029678      7.248581  
1 1 1 -24 2   20 o 34.515  6.4472  701.538    232.156  766.417    324.668  633.657    332.094  35.184  8.5937  31.848  9.1458  3.335283       12.54976  
1 1 1 -24 2   21 o 22.219  7.7077  279.402    226.550  429.015    318.155  125.511    322.672  26.636  9.1400  20.756  8.6491  5.880434       12.58358  
1 1 1 -24 2   22 o 36.376  6.3002  795.274    239.228  943.082    335.952  643.225    340.739  38.376  8.3221  31.054  9.3575  7.322897       12.52281  
1 1 1 -24 2   23 f 16.758  7.2036  44.828     235.633  -348.0727  339.376  410.522    327.415  15.122  7.2448  25.332  9.2158  -10.21019      11.72254  
1 1 1 -24 2   24 o 35.499  6.5387  781.457    242.146  666.607    341.134  898.092    343.773  30.767  9.3836  36.303  8.8281  -5.536520      12.88362  
1 1 1 -24 2   25 o 21.011  7.8985  261.709    243.960  251.359    359.595  270.536    332.069  22.099  9.1631  22.109  8.9436  -0.1066589E-01 12.80428  
1 1 1 -24 2   26 o 12.738  6.2965  -559.3017  318.786  -396.8405  456.599  -713.8058  445.276  16.946  8.1906  14.923  7.3885  2.023273       11.03066  
1 1 1 -24 2   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 3   1  o 184.099 3.7441  18472.45   746.567  18464.48   1050.81  18480.57   1060.87  183.479 5.2877  183.537 5.3366  -0.5831909E-01 7.512656  
1 1 1 -24 3   2  o 88.269  3.1277  4238.21    299.025  3744.60    414.236  4775.33    432.100  82.623  4.6478  93.518  4.2660  -10.89532      6.308760  
1 1 1 -24 3   3  o 53.677  4.0136  1580.34    231.655  1568.35    323.738  1592.91    331.625  53.129  5.7158  53.525  5.8138  -0.3957253     8.152940  
1 1 1 -24 3   4  o 36.413  5.6381  744.832    215.173  960.864    286.090  463.462    326.500  41.221  6.6329  28.894  9.2356  12.32652       11.37067  
1 1 1 -24 3   5  o 31.781  5.8576  572.584    194.202  276.748    271.918  880.583    277.452  23.722  8.4272  39.388  6.7463  -15.66530      10.79493  
1 1 1 -24 3   6  o 83.819  3.3307  3825.01    302.378  3699.66    425.154  3953.33    430.144  82.063  4.8043  84.865  4.6980  -2.801682      6.719512  
1 1 1 -24 3   7  o 128.695 3.1868  9014.51    444.203  8546.99    614.125  9527.48    643.284  124.992 4.5363  131.978 4.5002  -6.985344      6.389830  
1 1 1 -24 3   8  o 75.431  3.2522  3097.98    265.703  3288.76    374.158  2903.90    377.385  77.406  4.4820  72.641  4.8240  4.764519       6.584785  
1 1 1 -24 3   9  o 41.360  4.5320  947.425    199.696  1138.23    279.616  748.784    285.295  45.073  5.8667  36.003  7.5570  9.069695       9.566888  
1 1 1 -24 3   10 o 36.656  5.0251  751.277    194.255  674.218    270.710  833.074    278.910  34.106  7.5297  38.132  7.0114  -4.026104      10.28864  
1 1 1 -24 3   11 o 73.918  3.4268  2980.47    274.352  2980.56    393.553  2980.38    382.662  73.466  4.9752  73.504  4.8335  -0.3761292E-01 6.936572  
1 1 1 -24 3   12 o 40.476  4.4578  909.325    192.188  972.031    239.739  796.556    321.498  41.626  5.4483  36.854  8.2588  4.771603       9.893987  
1 1 1 -24 3   13 o 59.737  3.7443  1959.09    241.036  1875.04    285.538  2167.47    449.599  58.244  4.5628  61.920  6.8168  -3.675411      8.202906  
1 1 1 -24 3   14 o 83.705  3.2588  3825.16    295.444  3657.64    346.190  4274.24    566.817  81.707  3.9119  87.449  6.0211  -5.741714      7.180249  
1 1 1 -24 3   15 o 61.505  3.5572  2077.24    235.957  2372.78    329.544  1766.32    338.003  65.431  4.6810  56.102  5.6389  9.329124       7.328634  
1 1 1 -24 3   16 f 96.691  3.1815  5111.14    333.182  5230.64    462.306  4982.00    480.608  97.404  4.3821  94.945  4.6736  2.458748       6.406632  
1 1 1 -24 3   17 o 41.475  5.1998  971.061    228.449  1317.52    329.103  648.863    317.369  47.910  6.5108  32.754  8.7710  15.15591       10.92342  
1 1 1 -24 3   18 o 48.654  4.6726  1325.26    243.204  1238.42    342.975  1413.07    344.919  46.060  7.1033  49.488  6.5994  -3.427917      9.695829  
1 1 1 -24 3   19 o 21.973  7.6402  261.092    222.664  353.037    311.236  164.694    318.684  25.356  9.0150  21.718  8.7698  3.638329       12.57696  
1 1 1 -24 3   20 o 31.901  6.9037  607.849    231.613  625.507    325.228  589.678    329.923  31.671  9.0367  30.780  9.1926  0.8909283      12.89055  
1 1 1 -24 3   21 o 23.780  7.7178  336.332    227.349  512.941    318.446  152.736    324.684  28.594  9.1191  21.243  8.7482  7.350965       12.63679  
1 1 1 -24 3   22 o 27.011  7.7529  461.764    238.698  363.673    344.785  552.052    330.789  24.926  9.3859  28.946  9.3008  -4.019981      13.21363  
1 1 1 -24 3   23 o 23.464  7.8016  345.976    231.797  480.605    320.629  198.572    335.496  26.853  9.1761  21.453  8.8694  5.399427       12.76194  
1 1 1 -24 3   24 o 32.940  7.2690  694.803    252.389  741.673    338.944  636.468    378.128  32.594  9.1993  29.740  9.9659  2.854034       13.56270  
1 1 1 -24 3   25 o 17.421  7.2781  104.658    229.306  -82.9624   323.504  294.108    325.077  16.952  7.7731  22.454  8.9286  -5.502001      11.83811  
1 1 1 -24 3   26 o 21.953  9.4248  235.596    402.462  235.596    402.462  0.0000     0.0000   21.953  9.4248  ?       ?       0.000000       9.424827  
1 1 1 -24 3   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 4   1  o 116.618 3.1276  7398.08    395.042  7280.29    553.247  7520.61    564.263  115.427 4.4253  117.313 4.4408  -1.885956      6.269303  
1 1 1 -24 4   2  o 108.070 3.1109  6352.74    364.130  6472.41    508.888  6227.18    521.250  108.863 4.3159  106.739 4.5087  2.123207       6.241433  
1 1 1 -24 4   3  o 79.509  3.2236  3439.73    277.606  3477.15    397.409  3404.07    387.950  79.611  4.6289  78.781  4.5662  0.8298569      6.502028  
1 1 1 -24 4   4  o 50.569  4.1670  1405.20    226.205  1319.23    314.429  1497.43    325.670  48.578  6.1113  51.851  5.9043  -3.272545      8.497582  
1 1 1 -24 4   5  o 87.870  3.3380  4203.30    317.688  3866.94    455.026  4523.19    443.744  83.859  5.0330  90.959  4.5042  -7.099846      6.754200  
1 1 1 -24 4   6  o 180.305 3.7383  17724.57   730.060  18386.63   1036.21  17072.01   1028.75  183.058 5.2262  176.321 5.3869  6.737122       7.505455  
1 1 1 -24 4   7  o 209.337 4.0625  23926.43   921.101  23425.40   1299.39  24432.48   1305.90  206.255 5.8165  210.698 5.7224  -4.442795      8.159548  
1 1 1 -24 4   8  o 150.928 3.4052  12409.53   556.653  12196.41   778.884  12632.04   795.842  149.184 4.8204  151.818 4.8399  -2.633591      6.830831  
1 1 1 -24 4   9  o 122.347 3.2545  8152.75    431.273  8341.67    600.227  7951.12    620.081  123.440 4.4894  120.437 4.7535  3.002869       6.538424  
1 1 1 -24 4   10 o 90.926  3.2802  4505.00    323.039  4565.58    445.699  4437.96    468.876  91.286  4.5078  89.798  4.8387  1.488243       6.613087  
1 1 1 -24 4   11 o 98.194  3.1660  5254.21    336.723  5365.92    487.510  5152.30    465.639  98.907  4.5508  96.950  4.4344  1.957710       6.353999  
1 1 1 -24 4   12 o 67.868  3.4905  2521.11    255.712  2665.51    304.710  2177.28    470.206  69.662  4.0560  62.002  7.1318  7.660713       8.204511  
1 1 1 -24 4   13 o 68.383  3.5355  2561.46    260.963  2623.94    309.465  2407.66    485.527  69.066  4.1563  65.229  6.9807  3.837036       8.124297  
1 1 1 -24 4   14 o 67.188  3.5051  2474.17    254.185  2503.85    298.342  2395.55    485.499  67.443  4.1037  64.966  7.0109  2.477356       8.123584  
1 1 1 -24 4   15 o 96.935  3.1751  5132.18    333.362  5362.45    474.553  4907.84    468.398  98.688  4.4397  94.361  4.5830  4.326645       6.380829  
1 1 1 -24 4   16 o 71.889  3.3928  2829.11    264.173  2822.59    361.669  2836.57    386.788  71.308  4.7093  71.361  5.0366  -0.5284882E-01 6.895309  
1 1 1 -24 4   17 o 58.997  3.9781  1924.02    252.720  2152.36    360.100  1702.40    354.759  61.893  5.4265  54.732  6.0876  7.161297       8.155066  
1 1 1 -24 4   18 o 21.971  7.4724  264.249    212.612  313.456    303.259  216.681    298.164  24.467  8.8742  22.347  8.6499  2.119217       12.39240  
1 1 1 -24 4   19 f 38.788  5.7831  864.620    235.532  663.156    327.821  1079.58    338.627  32.811  8.9684  42.623  7.6146  -9.812038      11.76497  
1 1 1 -24 4   20 o 27.479  7.4897  456.604    229.011  500.570    319.135  409.929    328.824  28.625  9.1289  26.593  9.2824  2.032673       13.01921  
1 1 1 -24 4   21 o 18.409  7.3504  127.595    221.147  317.220    304.946  -82.7592   321.183  24.038  8.8709  17.732  7.9772  6.306087       11.93014  
1 1 1 -24 4   22 f 31.759  6.9942  623.757    234.084  437.487    322.538  831.062    340.263  26.317  9.1928  35.582  8.8623  -9.265345      12.76906  
1 1 1 -24 4   23 o 25.441  7.7415  416.483    232.378  398.834    319.674  436.259    338.390  25.051  9.1073  25.906  9.3775  -0.8555775     13.07213  
1 1 1 -24 4   24 o 44.665  5.6290  1191.14    266.264  967.044    382.305  1402.23    371.055  37.102  9.4789  46.878  7.5656  -9.776455      12.12795  
1 1 1 -24 4   25 o 20.719  7.7318  254.198    232.941  241.455    326.350  267.434    332.596  21.533  8.8078  22.048  8.9396  -0.5150242     12.54961  
1 1 1 -24 4   26 o 23.989  9.5264  386.797    369.598  386.797    369.598  0.0000     0.0000   23.989  9.5264  ?       ?       0.000000       9.526357  
1 1 1 -24 4   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 5   1  o 129.684 3.2122  9151.22    451.188  9421.79    633.532  8872.74    642.720  131.300 4.4549  127.363 4.6592  3.937462       6.446206  
1 1 1 -24 5   2  o 92.223  3.1260  4626.56    312.244  4358.33    433.112  4916.84    450.564  89.187  4.4981  94.868  4.3850  -5.680779      6.281765  
1 1 1 -24 5   3  o 62.628  3.6418  2144.14    245.971  2294.44    342.160  1983.39    353.845  64.550  4.9313  59.858  5.5200  4.691681       7.401893  
1 1 1 -24 5   4  f 143.870 3.3379  11267.08   520.137  10962.53   727.329  11585.87   744.128  141.542 4.7443  145.518 4.7213  -3.975739      6.693227  
1 1 1 -24 5   5  o 86.672  3.2300  4088.15    303.217  4035.32    434.089  4138.49    423.725  85.754  4.6914  86.887  4.5181  -1.133171      6.513288  
1 1 1 -24 5   6  o 160.307 3.5018  13999.55   608.006  14413.75   852.578  13570.91   867.313  162.221 4.8524  157.318 5.0901  4.903290       7.032413  
1 1 1 -24 5   7  o 73.100  3.4044  2910.52    269.543  2622.16    367.177  3247.52    396.943  68.994  4.9463  76.856  4.7924  -7.861664      6.887160  
1 1 1 -24 5   8  f 48.576  4.2712  1299.50    222.437  1224.41    332.205  1360.52    299.481  46.548  6.7890  49.400  5.7020  -2.851608      8.865857  
1 1 1 -24 5   9  o 130.621 3.1997  9291.23    452.682  8978.05    638.213  9608.33    642.184  128.024 4.6026  132.482 4.4754  -4.458572      6.419762  
1 1 1 -24 5   10 o 82.870  3.2228  3741.32    289.269  3772.58    405.185  3708.83    413.107  82.855  4.5323  82.114  4.6641  0.7405548      6.503473  
1 1 1 -24 5   11 o 112.346 2.9108  6871.38    354.190  6969.49    452.425  6716.05    569.269  112.963 3.6978  110.586 4.7528  2.377357       6.021834  
1 1 1 -24 5   12 o 60.528  3.6674  2009.00    239.295  2037.05    285.151  1942.20    440.008  60.797  4.3593  58.533  7.0847  2.263882       8.318460  
1 1 1 -24 5   13 o 51.589  4.1527  1468.01    230.074  1544.79    273.953  1284.23    423.829  52.759  4.8484  46.819  8.6774  5.939598       9.939990  
1 1 1 -24 5   14 o 51.677  4.1808  1474.81    232.004  1486.81    275.532  1445.58    430.081  51.681  4.9842  49.817  8.2602  1.863453       9.647381  
1 1 1 -24 5   15 o 17.347  6.7381  112.616    181.428  158.697    247.118  58.737     267.214  20.222  7.8614  18.798  7.8552  1.424084       11.11331  
1 1 1 -24 5   16 o 81.000  3.2716  3589.11    287.026  3318.56    394.862  3892.22    417.954  77.329  4.7373  83.815  4.6219  -6.486320      6.618433  
1 1 1 -24 5   17 f 83.317  3.3251  3802.34    300.064  3653.12    417.707  3961.46    431.331  81.048  4.7796  84.429  4.7359  -3.381615      6.728525  
1 1 1 -24 5   18 o 77.580  3.4847  3305.24    292.812  3231.97    415.161  3377.76    413.045  75.975  5.0744  77.747  4.9306  -1.771957      7.075303  
1 1 1 -24 5   19 o 60.064  4.0473  2002.04    261.765  1746.70    366.224  2268.74    374.292  55.172  6.2381  63.326  5.5121  -8.153496      8.324489  
1 1 1 -24 5   20 o 15.633  6.8296  -18.5511   218.906  162.394    302.421  -217.7063  317.273  21.172  8.5452  16.229  7.5327  4.942560       11.39133  
1 1 1 -24 5   21 o 25.688  7.5771  403.191    225.235  450.728    307.040  347.805    331.416  27.066  8.9781  24.967  9.2411  2.099262       12.88421  
1 1 1 -24 5   22 o 29.320  7.3314  539.299    232.204  305.048    317.807  807.564    340.098  23.480  8.9708  34.996  8.9401  -11.51634      12.66490  
1 1 1 -24 5   23 o 15.501  6.8430  -11.8723   225.035  -173.1335  309.238  169.654    328.094  15.903  7.4000  20.863  8.7100  -4.959289      11.42907  
1 1 1 -24 5   24 o 24.100  7.8914  375.526    237.495  281.232    327.177  480.550    345.293  22.548  8.9602  26.558  9.4898  -4.009537      13.05147  
1 1 1 -24 5   25 o 22.742  8.1349  332.175    253.801  45.061     345.675  667.974    373.836  18.945  8.4160  29.934  9.9055  -10.98981      12.99804  
1 1 1 -24 5   26 o 23.634  9.4179  368.226    362.387  368.226    362.387  0.0000     0.0000   23.634  9.4179  ?       ?       0.000000       9.417853  
1 1 1 -24 5   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 6   1  o 118.319 3.1370  7616.03    402.014  7859.84    562.683  7361.81    574.570  119.951 4.3310  116.031 4.5719  3.919716       6.297633  
1 1 1 -24 6   2  o 80.923  3.6334  3567.89    318.462  3620.36    386.034  3456.12    563.457  81.285  4.4011  78.822  6.6624  2.463448       7.984828  
1 1 1 -24 6   3  o 30.852  5.9024  540.547    190.050  492.693    266.853  589.802    270.732  29.273  8.1278  31.932  7.8768  -2.658829      11.31834  
1 1 1 -24 6   4  o 116.715 3.1927  7412.16    403.599  7183.42    553.784  7671.30    589.433  114.643 4.4599  118.439 4.5948  -3.795868      6.403373  
1 1 1 -24 6   5  o 90.339  3.2545  4441.88    318.447  4276.25    444.671  4616.25    456.256  88.287  4.6668  91.870  4.5853  -3.582581      6.542430  
1 1 1 -24 6   6  o 13.484  6.0536  -82.7913   183.877  -14.6560   251.405  -161.1649  269.633  17.224  7.4224  15.737  7.1706  1.486461       10.32034  
1 1 1 -24 6   7  o 54.880  3.9419  1651.98    232.751  1749.02    311.294  1528.96    350.502  56.228  5.1694  52.259  6.3209  3.969109       8.165557  
1 1 1 -24 6   8  o 34.462  2.0553  646.841    76.367   875.972    276.309  627.891    79.462   39.243  6.7437  33.940  2.1730  5.303265       7.085196  
1 1 1 -24 6   9  o 72.260  3.4370  2845.90    268.998  2624.94    375.180  3079.66    385.888  68.964  5.0581  74.797  4.7884  -5.832870      6.965162  
1 1 1 -24 6   10 o 41.122  4.8060  940.099    210.016  886.419    288.266  1000.82    306.596  39.355  7.0202  41.879  7.0068  -2.524071      9.918571  
1 1 1 -24 6   11 o 68.894  3.3806  2588.85    252.262  2545.92    301.910  2688.15    459.148  68.084  4.1135  69.375  6.1751  -1.290527      7.419763  
1 1 1 -24 6   12 o 17.040  6.7077  97.271     181.755  169.946    231.667  -19.0782   293.124  20.203  7.6733  18.416  7.9752  1.786963       11.06724  
1 1 1 -24 6   13 o 52.213  3.9479  1500.98    221.615  1447.11    258.906  1648.60    428.628  51.078  4.7337  53.621  7.5925  -2.542397      8.947299  
1 1 1 -24 6   14 o 74.340  3.4534  3020.43    278.064  3151.03    329.290  2695.86    519.108  75.702  4.0306  68.925  7.0529  6.776688       8.123373  
1 1 1 -24 6   15 o 105.733 3.2703  6109.58    374.510  5932.66    434.610  6619.87    738.109  104.006 3.8581  108.569 6.3040  -4.562439      7.390914  
1 1 1 -24 6   16 o 36.681  5.5639  765.309    214.110  630.728    279.916  955.085    332.397  32.542  7.9985  40.218  7.9125  -7.676701      11.25095  
1 1 1 -24 6   17 o 64.975  3.7819  2327.71    265.000  2117.09    375.662  2536.33    373.879  61.249  5.7293  67.327  5.1665  -6.078106      7.714726  
1 1 1 -24 6   18 o 51.135  4.4220  1458.19    242.504  1405.93    342.506  1510.73    343.400  49.365  6.5690  51.313  6.3118  -1.948513      9.109908  
1 1 1 -24 6   19 o 50.547  4.7497  1433.97    256.987  1049.85    372.416  1783.15    355.073  41.558  8.5588  55.884  5.9581  -14.32578      10.42843  
1 1 1 -24 6   20 o 22.473  7.6863  283.190    224.973  190.389    311.086  384.940    325.740  21.858  8.7209  26.004  9.2251  -4.146389      12.69472  
1 1 1 -24 6   21 o 15.070  6.6850  -42.3114   217.326  -134.1030  297.071  63.377     318.766  16.396  7.4924  19.659  8.4124  -3.262817      11.26519  
1 1 1 -24 6   22 o 33.187  6.8069  676.284    236.462  591.654    324.062  772.656    345.813  29.876  9.1521  34.050  9.1715  -4.174171      12.95670  
1 1 1 -24 6   23 o 59.336  4.2729  2006.33    272.768  1690.42    376.889  2353.82    395.270  52.525  6.7834  62.959  5.8639  -10.43403      8.966578  
1 1 1 -24 6   24 o 14.619  6.6374  -71.5507   228.447  -33.2969   312.656  -115.3637  334.604  17.467  7.8632  17.047  7.8494  0.4198799      11.11049  
1 1 1 -24 6   25 o 29.794  1.4646  484.076    47.262   492.673    47.706   28.840     347.133  30.058  1.4654  18.763  8.3779  11.29501       8.505089  
1 1 1 -24 6   26 f 19.783  8.6392  125.405    349.988  125.405    349.988  0.0000     0.0000   19.783  8.6392  ?       ?       0.000000       8.639219  
1 1 1 -24 6   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 7   1  o 178.335 3.7019  17333.38   715.050  16975.80   1004.04  17701.39   1018.58  175.912 5.2697  179.648 5.2349  -3.735275      7.427872  
1 1 1 -24 7   2  o 135.940 3.2612  10056.95   480.168  9476.51    671.904  10662.81   686.450  131.608 4.7136  139.654 4.5382  -8.046677      6.543217  
1 1 1 -24 7   3  o 21.189  6.8002  243.101    176.871  341.495    224.866  83.461     286.425  24.756  7.6304  20.043  8.2310  4.713207       11.22371  
1 1 1 -24 7   4  o 80.423  3.2284  3519.73    281.214  3786.40    383.860  3210.82    413.145  83.155  4.2765  76.391  5.0213  6.763390       6.595586  
1 1 1 -24 7   5  o 199.211 3.9537  21651.47   853.074  21480.80   1206.20  21822.26   1206.66  197.673 5.6338  199.260 5.5911  -1.587341      7.937232  
1 1 1 -24 7   6  o 206.204 4.0609  23212.06   906.970  23330.64   1279.44  23092.29   1285.88  205.913 5.7368  204.825 5.7963  1.088287       8.155180  
1 1 1 -24 7   7  o 103.911 3.1245  5876.02    351.654  5876.37    487.668  5875.65    507.556  103.679 4.3427  103.632 4.5219  0.4721069E-01  6.269527  
1 1 1 -24 7   8  o 67.165  3.6097  2466.53    261.632  2755.21    374.944  2192.59    365.253  70.718  4.9259  62.931  5.4113  7.787201       7.317576  
1 1 1 -24 7   9  o 68.272  3.5580  2548.48    262.187  2446.17    384.481  2637.41    358.462  66.473  5.3865  69.186  4.8136  -2.712997      7.223900  
1 1 1 -24 7   10 o 95.471  3.2237  4966.00    333.343  5210.33    476.847  4732.48    466.171  97.509  4.5151  92.901  4.6329  4.607712       6.469119  
1 1 1 -24 7   11 o 81.382  3.2968  3611.33    290.600  3694.72    348.398  3420.68    526.822  82.202  3.9131  78.279  6.2662  3.922295       7.387666  
1 1 1 -24 7   12 o 82.114  3.1515  3675.87    280.289  3708.08    331.416  3594.96    525.268  82.367  3.7149  80.272  6.0869  2.095726       7.130948  
1 1 1 -24 7   13 o 124.491 3.2680  8457.19    440.643  8593.26    513.756  8078.57    857.000  125.326 3.7848  120.105 6.6134  5.221519       7.619861  
1 1 1 -24 7   14 o 78.556  3.5057  3373.90    298.277  3375.95    356.925  3369.15    543.102  78.304  4.2241  77.349  6.5441  0.9550705      7.789001  
1 1 1 -24 7   15 o 56.034  4.2178  1735.60    254.102  1819.77    297.705  1509.73    487.685  57.200  4.8510  50.325  9.2894  6.874786       10.47972  
1 1 1 -24 7   16 f 14.805  6.5253  -44.7200   203.840  -75.3992   273.550  -6.4156    305.660  16.808  7.4758  18.806  8.1439  -1.997787      11.05492  
1 1 1 -24 7   17 o 50.388  4.4084  1412.80    238.168  1214.77    335.765  1613.33    337.887  45.766  6.9958  53.312  5.9533  -7.545982      9.186025  
1 1 1 -24 7   18 o 22.477  7.4626  282.607    212.115  699.826    298.126  -145.1260  301.860  34.018  8.1897  16.706  7.6022  17.31261       11.17428  
1 1 1 -24 7   19 o 42.166  5.2515  1009.64    234.639  1460.72    332.877  564.198    330.793  50.401  6.2306  30.373  9.2351  20.02714       11.14031  
1 1 1 -24 7   20 o 21.508  7.7302  244.401    229.434  10.116     323.426  481.732    325.521  19.203  8.3466  28.172  9.2395  -8.969250      12.45128  
1 1 1 -24 7   21 o 67.952  3.9664  2578.35    290.660  2401.37    412.774  2752.42    409.359  64.348  5.9914  69.273  5.5012  -4.925140      8.133852  
1 1 1 -24 7   22 o 74.294  3.7093  3081.91    298.481  2708.10    412.695  3491.91    432.212  68.126  5.6438  77.859  5.1544  -9.733429      7.643354  
1 1 1 -24 7   23 o 33.691  6.8480  707.468    241.376  701.667    331.173  714.042    352.543  32.039  9.1110  32.063  9.4859  -0.2429581E-01 13.15270  
1 1 1 -24 7   24 o 36.227  6.9830  827.726    264.064  638.458    389.066  989.378    359.563  29.672  10.108  38.088  8.8797  -8.416296      13.45451  
1 1 1 -24 7   25 o 36.419  7.8141  880.362    299.003  875.557    370.325  889.362    506.789  34.642  9.5582  32.688  11.516  1.954296       14.96607  
1 1 1 -24 7   26 o 20.049  8.7058  143.849    351.194  143.849    351.194  0.0000     0.0000   20.049  8.7058  ?       ?       0.000000       8.705850  
1 1 1 -24 7   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 8   1  o 117.938 3.1106  7567.00    397.344  7634.58    551.475  7494.03    573.000  118.219 4.3069  117.075 4.5188  1.144295       6.242538  
1 1 1 -24 8   2  o 179.237 3.6983  17508.79   717.955  17583.77   1010.62  17432.39   1020.13  179.062 5.2109  178.258 5.2837  0.8037567      7.420965  
1 1 1 -24 8   3  o 76.080  3.2668  3150.17    269.189  3151.95    352.012  3147.66    417.757  75.845  4.3028  75.608  5.1318  0.2369766      6.696983  
1 1 1 -24 8   4  o 75.165  3.3594  3075.90    273.498  2988.29    378.127  3172.03    396.066  73.743  4.7596  75.967  4.8388  -2.223953      6.787377  
1 1 1 -24 8   5  o 66.828  3.6243  2440.78    261.349  2486.44    359.550  2389.65    380.550  67.184  4.9765  65.759  5.3904  1.424088       7.336329  
1 1 1 -24 8   6  o 45.660  5.1289  1157.37    249.260  878.776    377.686  1372.35    331.772  38.759  9.1446  49.476  6.3368  -10.71766      11.12558  
1 1 1 -24 8   7  o 13.085  5.8703  -76.5901   172.569  -24.2154   214.245  -173.3412  291.191  15.716  6.8122  16.337  7.4470  -0.6206646     10.09274  
1 1 1 -24 8   8  o 62.982  3.6147  2169.84    245.547  2122.18    339.412  2222.18    355.669  61.978  5.1014  63.400  5.2260  -1.422226      7.303141  
1 1 1 -24 8   9  o 67.581  3.5498  2497.34    258.927  2515.78    358.663  2477.27    374.186  67.531  4.9378  66.943  5.2016  0.5884628      7.172080  
1 1 1 -24 8   10 o 66.040  3.3675  2383.66    240.072  2324.39    284.481  2530.29    447.468  65.078  4.0562  67.331  6.2057  -2.253059      7.413756  
1 1 1 -24 8   11 o 90.013  3.1776  4416.01    309.801  4275.38    366.241  4769.73    580.856  88.443  3.8233  92.688  5.8154  -4.245293      6.959632  
1 1 1 -24 8   12 o 79.166  3.3183  3419.18    284.528  3644.18    343.329  2925.82    508.405  81.618  3.8838  72.189  6.5744  9.429527       7.635869  
1 1 1 -24 8   13 o 118.468 3.2280  7657.56    414.195  7460.58    480.981  8222.79    814.775  116.766 3.8031  121.399 6.2175  -4.632484      7.288399  
1 1 1 -24 8   14 o 29.387  6.5506  501.204    203.177  612.243    241.373  231.251    376.353  32.410  7.0746  24.514  9.6515  7.895802       11.96666  
1 1 1 -24 8   15 o 62.250  3.7953  2132.18    254.666  2115.59    294.034  2181.97    509.487  61.833  4.4195  61.455  7.8323  0.3780861      8.993183  
1 1 1 -24 8   16 o 64.941  3.3953  2315.25    237.987  2422.49    339.724  2211.92    333.491  66.000  4.7849  63.001  4.9265  2.998295       6.867707  
1 1 1 -24 8   17 o 35.921  5.6197  737.235    211.475  645.722    286.596  846.618    313.331  32.806  8.1115  37.707  7.9238  -4.901173      11.33949  
1 1 1 -24 8   18 o 28.912  7.0375  496.638    218.302  540.359    307.959  452.479    309.499  29.876  8.8721  27.716  9.0053  2.160227       12.64158  
1 1 1 -24 8   19 o 77.397  3.5114  3294.30    294.353  3218.33    415.327  3370.97    417.237  75.710  5.0945  77.544  4.9943  -1.834351      7.134241  
1 1 1 -24 8   20 o 56.919  4.1914  1808.57    256.580  1943.51    354.126  1659.45    372.270  58.308  5.6795  53.366  6.5799  4.942154       8.692050  
1 1 1 -24 8   21 o 21.208  7.3293  253.569    204.759  179.769    304.187  314.715    276.882  21.247  8.5720  23.602  8.4910  -2.354946      12.06553  
1 1 1 -24 8   22 o 19.078  7.6216  154.038    237.905  -190.6838  437.531  298.739    283.473  19.061  8.8468  22.921  8.5341  -3.860285      12.29215  
1 1 1 -24 8   23 o 46.289  5.1560  1252.66    254.109  799.137    348.621  1766.73    371.165  34.148  9.2132  53.978  6.4781  -19.83009      11.26268  
1 1 1 -24 8   24 o 30.582  7.6730  612.480    253.737  465.345    363.226  752.715    354.606  26.224  9.6807  32.562  9.4798  -6.337950      13.54928  
1 1 1 -24 8   25 o 15.775  7.2177  -79.9860   276.802  -313.0179  339.944  378.507    476.832  15.136  7.2513  24.850  10.446  -9.713938      12.71587  
1 1 1 -24 8   26 o 60.444  6.5767  2302.69    423.612  2302.69    423.612  0.0000     0.0000   60.444  6.5767  ?       ?       0.000000       6.576744  
1 1 1 -24 8   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 9   1  o 137.316 3.2507  10262.51   483.477  9976.83    677.442  10559.07   690.216  135.046 4.6315  138.944 4.5864  -3.898224      6.518134  
1 1 1 -24 9   2  o 124.141 3.1660  8385.14    425.696  7648.67    593.554  9165.20    610.871  118.248 4.6344  129.516 4.3547  -11.26874      6.359328  
1 1 1 -24 9   3  o 20.636  6.8090  225.847    176.690  122.915    222.763  400.450    290.132  18.986  7.4408  26.998  8.7142  -8.012331      11.45873  
1 1 1 -24 9   4  f 56.823  3.8331  1768.58    234.530  1580.19    303.549  2047.62    369.420  53.407  5.3184  60.774  5.6779  -7.367599      7.779708  
1 1 1 -24 9   5  o 57.420  3.7783  1805.43    233.667  1812.74    311.239  1795.98    353.734  57.286  5.0685  56.841  5.8281  0.4452362      7.723800  
1 1 1 -24 9   6  o 45.016  4.9670  1123.75    238.144  935.438    373.662  1252.56    309.038  40.065  8.8472  47.271  6.1843  -7.206001      10.79441  
1 1 1 -24 9   7  o 66.853  3.4704  2441.54    250.425  2256.37    330.091  2692.64    384.385  64.003  4.7966  69.872  5.1147  -5.868973      7.011931  
1 1 1 -24 9   8  o 51.925  4.1497  1482.51    231.429  1768.09    330.554  1207.93    324.121  56.443  5.4760  46.251  6.6623  10.19157       8.623982  
1 1 1 -24 9   9  o 70.676  3.4784  2723.30    266.270  3047.78    369.854  2374.17    383.649  74.443  4.6098  65.455  5.4614  8.987564       7.146838  
1 1 1 -24 9   10 o 34.032  5.4312  653.123    193.464  831.298    235.322  281.574    339.819  38.383  5.8450  24.959  9.3338  13.42395       11.01292  
1 1 1 -24 9   11 o 20.661  6.7779  229.854    175.170  237.434    211.469  213.281    312.683  21.505  7.4474  23.019  8.8725  -1.514154      11.58384  
1 1 1 -24 9   12 o 35.173  5.1710  695.727    191.110  626.724    230.509  847.442    341.799  32.971  6.6837  37.948  8.5242  -4.977356      10.83205  
1 1 1 -24 9   13 o 51.861  4.0981  1483.07    228.319  1417.75    273.574  1632.98    414.455  50.458  5.0747  53.436  7.3560  -2.978649      8.936575  
1 1 1 -24 9   14 o 43.748  5.1520  1071.80    239.443  941.041    294.931  1324.63    410.111  40.397  6.9938  47.614  8.2514  -7.216476      10.81661  
1 1 1 -24 9   15 o 14.977  6.5760  -39.5464   205.245  -107.7222  239.506  148.934    398.230  15.204  6.8598  23.537  9.6902  -8.333363      11.87257  
1 1 1 -24 9   16 o 65.292  3.8907  2350.28    273.897  2232.69    321.620  2660.69    522.537  63.368  4.7199  68.094  7.1939  -4.726200      8.604040  
1 1 1 -24 9   17 o 47.915  4.4706  1279.74    229.333  1392.72    297.974  1115.58    359.188  49.599  5.6474  43.414  7.9310  6.185188       9.736198  
1 1 1 -24 9   18 o 52.066  4.3493  1510.38    243.026  1615.94    342.626  1403.50    344.765  53.195  6.0547  49.283  6.6268  3.911652       8.976270  
1 1 1 -24 9   19 o 29.607  6.9358  521.752    218.512  318.985    301.531  746.001    317.102  24.462  8.8525  34.930  8.4692  -10.46776      12.25130  
1 1 1 -24 9   20 o 22.516  7.5912  287.735    219.407  299.497    299.548  274.121    322.275  23.816  8.7914  23.629  9.0323  0.1862583      12.60439  
1 1 1 -24 9   21 o 53.515  4.4713  1617.14    256.791  1288.09    350.427  1998.76    377.384  46.222  7.2372  58.596  6.0325  -12.37393      9.421678  
1 1 1 -24 9   22 o 14.523  6.5686  -74.6310   221.137  57.047     299.532  -232.3861  327.852  18.743  8.0893  15.972  7.4928  2.770844       11.02631  
1 1 1 -24 9   23 o 36.360  6.8717  821.735    260.698  980.959    380.896  681.412    357.574  37.829  9.3499  31.247  9.6206  6.582006       13.41557  
1 1 1 -24 9   24 o 17.085  7.3116  63.516     240.837  328.528    339.955  -203.4996  341.238  23.490  9.1959  16.300  7.6458  7.190725       11.95924  
1 1 1 -24 9   25 o 21.741  8.6345  270.578    303.660  193.662    385.478  396.366    492.958  21.494  9.2256  25.155  10.600  -3.661489      14.05238  
1 1 1 -24 9   26 o 26.005  9.6669  499.169    363.434  499.169    363.434  0.0000     0.0000   26.005  9.6669  ?       ?       0.000000       9.666900  
1 1 1 -24 9   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 10  1  o 15.653  6.4013  50.757     172.336  29.442     225.548  80.656     267.135  17.122  7.1901  19.421  7.9591  -2.298731      10.72589  
1 1 1 -24 10  2  o 139.783 3.2961  10635.92   499.022  10805.62   699.105  10459.63   712.533  140.555 4.5923  138.236 4.7590  2.319046       6.613372  
1 1 1 -24 10  3  o 76.490  3.2044  3183.90    265.477  3139.94    353.854  3240.50    401.532  75.688  4.3345  76.779  4.8534  -1.091156      6.507188  
1 1 1 -24 10  4  o 18.683  6.8513  156.895    181.478  48.159     235.245  316.729    285.211  17.809  7.4000  24.887  8.6473  -7.078011      11.38139  
1 1 1 -24 10  5  o 26.034  7.0099  388.561    202.060  415.677    275.108  356.800    297.746  27.229  8.4477  26.014  8.8428  1.215185       12.22942  
1 1 1 -24 10  6  o 131.024 3.3055  9347.40    469.096  9454.67    656.526  9235.53    670.499  131.439 4.6117  129.860 4.7671  1.578613       6.632689  
1 1 1 -24 10  7  o 18.641  6.9480  149.470    187.993  195.948    253.075  92.248     280.805  21.417  8.0459  20.012  8.1761  1.404644       11.47103  
1 1 1 -24 10  8  o 110.682 3.1598  6669.40    378.800  6720.50    519.335  6611.31    553.726  110.850 4.3256  109.861 4.6535  0.9891663      6.353410  
1 1 1 -24 10  9  o 86.043  2.8786  4027.97    268.267  4094.98    345.641  3926.46    425.447  86.628  3.6838  84.511  4.6661  2.117706       5.944951  
1 1 1 -24 10  10 o 24.756  6.4835  352.565    175.908  330.142    210.242  404.900    321.190  24.201  7.3633  27.317  9.1848  -3.115585      11.77198  
1 1 1 -24 10  11 o 82.916  3.2451  3748.38    291.434  4008.74    347.902  3135.86    533.615  85.650  3.7502  74.766  6.6592  10.88406       7.642599  
1 1 1 -24 10  12 o 51.453  3.8401  1455.83    212.462  1606.44    254.044  1105.38    387.530  53.942  4.3862  43.452  8.5388  10.48996       9.599484  
1 1 1 -24 10  13 o 58.936  3.7218  1907.39    236.359  1908.00    279.983  1905.88    440.936  58.778  4.4305  57.850  7.1924  0.9273186      8.447526  
1 1 1 -24 10  14 o 65.789  3.6203  2375.33    256.973  2324.31    295.905  2531.87    518.289  64.919  4.2315  66.628  7.3016  -1.709000      8.439106  
1 1 1 -24 10  15 o 101.954 3.3182  5683.31    366.421  5433.08    426.659  6386.55    715.264  99.483  3.9597  106.647 6.2192  -7.163269      7.372790  
1 1 1 -24 10  16 o 15.678  6.6901  10.388     200.593  141.066    230.079  -403.6766  409.553  19.330  7.5658  17.463  8.2484  1.867067       11.19275  
1 1 1 -24 10  17 o 34.757  5.9587  695.702    216.247  642.633    299.492  753.505    312.564  32.639  8.4172  35.388  8.2986  -2.749527      11.82016  
1 1 1 -24 10  18 o 27.323  7.1798  444.149    215.251  455.999    301.170  431.775    307.759  27.751  8.8701  27.203  8.9869  0.5483589      12.62711  
1 1 1 -24 10  19 o 24.364  7.6331  346.919    223.989  358.903    321.787  335.654    311.977  25.580  9.1589  24.956  9.0086  0.6239281      12.84676  
1 1 1 -24 10  20 o 33.518  6.4247  663.673    224.750  588.336    311.792  745.158    324.263  30.723  8.8732  34.578  8.6733  -3.855286      12.40805  
1 1 1 -24 10  21 o 27.590  7.5158  470.793    230.688  645.347    313.299  264.087    340.934  31.746  8.8041  23.369  9.1907  8.376823       12.72718  
1 1 1 -24 10  22 o 28.383  7.7341  514.333    244.243  574.329    344.904  453.983    345.922  29.258  9.5065  26.624  9.5000  2.633480       13.43961  
1 1 1 -24 10  23 o 28.738  1.2933  449.212    40.254   451.500    40.535   285.790    342.514  28.810  1.2990  23.024  9.1619  5.786810       9.253523  
1 1 1 -24 10  24 o 53.782  4.7993  1682.45    276.628  1789.16    389.279  1573.59    393.173  53.649  6.8561  49.630  7.5525  4.019032       10.20038  
1 1 1 -24 10  25 o 17.781  7.7345  64.332     278.141  -107.6139  340.905  406.696    481.040  17.043  7.8742  25.213  10.538  -8.170677      13.15501  
1 1 1 -24 10  26 o 24.230  9.4629  404.768    359.317  404.768    359.317  0.0000     0.0000   24.230  9.4629  ?       ?       0.000000       9.462879  
1 1 1 -24 10  27 o 22.165  10.218  122.919    569.359  122.919    569.359  0.0000     0.0000   22.165  10.218  ?       ?       0.000000       10.21817  
1 1 1 -24 11  1  o 74.184  3.2305  2995.35    259.573  2931.36    354.549  3069.28    381.066  73.081  4.5011  74.736  4.7321  -1.654221      6.530861  
1 1 1 -24 11  2  o 84.280  3.1152  3864.57    284.371  3704.71    384.329  4057.98    422.733  82.231  4.3304  86.021  4.5534  -3.790382      6.283838  
1 1 1 -24 11  3  o 41.653  4.4768  959.181    198.797  1170.60    255.086  632.134    317.260  45.910  5.2229  32.980  8.7409  12.93011       10.18244  
1 1 1 -24 11  4  o 114.610 3.1621  7147.86    392.526  7225.98    540.880  7060.94    570.537  114.990 4.3428  113.598 4.6371  1.392479       6.353123  
1 1 1 -24 11  5  o 56.815  3.9078  1769.32    239.013  2073.29    325.852  1415.31    351.652  61.316  4.9487  50.178  6.6329  11.13754       8.275629  
1 1 1 -24 11  6  o 38.438  4.9928  823.125    202.956  643.009    260.969  1098.79    322.854  33.380  7.4114  44.004  7.0091  -10.62402      10.20084  
1 1 1 -24 11  7  o 81.956  3.2467  3657.17    288.200  3652.12    384.436  3663.63    435.472  81.609  4.3651  81.594  4.9510  0.1554108E-01  6.600454  
1 1 1 -24 11  8  o 84.381  3.3426  3879.02    305.489  4220.66    418.102  3487.74    447.442  87.717  4.4149  79.508  5.2250  8.209373       6.840438  
1 1 1 -24 11  9  o 74.783  3.1362  3045.44    254.027  3232.53    297.376  2540.37    488.610  76.983  3.5665  67.302  6.7960  9.681038       7.675008  
1 1 1 -24 11  10 o 50.272  4.0017  1390.34    216.087  1515.29    260.904  1117.39    385.596  52.358  4.6491  43.835  8.4277  8.522728       9.624949  
1 1 1 -24 11  11 o 30.758  5.6849  538.697    182.409  556.428    217.304  496.399    335.628  31.051  6.6610  29.517  9.3564  1.533909       11.48524  
1 1 1 -24 11  12 o 33.477  5.9055  638.407    206.300  530.410    258.689  827.089    341.929  30.116  7.8504  37.453  8.6093  -7.336899      11.65117  
1 1 1 -24 11  13 o 15.102  6.3984  14.121     181.201  -32.2262   227.478  94.585     299.729  15.978  6.9715  20.417  8.4063  -4.439219      10.92101  
1 1 1 -24 11  14 o 20.884  7.1788  228.228    196.313  219.681    223.099  257.551    413.215  21.155  7.6207  25.632  10.106  -4.476805      12.65740  
1 1 1 -24 11  15 o 28.517  7.1161  477.276    219.091  378.787    254.762  756.967    429.320  25.750  8.1505  35.282  10.475  -9.532488      13.27227  
1 1 1 -24 11  16 o 69.236  3.6684  2637.12    274.113  2662.46    316.965  2561.96    545.930  69.389  4.2378  66.508  7.7224  2.880844       8.808725  
1 1 1 -24 11  17 o 59.746  3.7466  1969.45    241.217  1713.97    326.163  2277.89    358.372  55.110  5.5393  63.730  5.2382  -8.619957      7.623772  
1 1 1 -24 11  18 o 49.206  4.4545  1352.09    234.832  1272.81    323.595  1440.30    341.319  46.926  6.5448  50.006  6.4524  -3.079193      9.190678  
1 1 1 -24 11  19 o 56.911  4.0952  1800.21    250.741  1731.72    347.441  1874.65    362.222  55.054  5.9197  57.301  5.9218  -2.246731      8.373171  
1 1 1 -24 11  20 o 24.078  7.5155  343.485    217.372  14.633     299.538  709.328    315.937  18.602  8.0590  33.740  8.6152  -15.13808      11.79699  
1 1 1 -24 11  21 o 57.540  4.3802  1866.85    270.933  1517.70    385.136  2208.91    381.208  50.128  7.3085  61.755  5.7660  -11.62695      9.309169  
1 1 1 -24 11  22 o 48.734  5.0138  1373.86    260.869  1543.38    361.080  1188.76    377.305  50.418  6.7844  42.950  8.4116  7.467777       10.80662  
1 1 1 -24 11  23 o 48.439  4.8218  1359.18    249.610  1448.80    374.610  1287.61    334.748  48.010  7.4452  45.574  7.0058  2.435242       10.22313  
1 1 1 -24 11  24 o 27.434  8.1819  504.972    261.494  718.003    385.712  323.780    355.722  31.285  10.042  23.503  9.3419  7.781897       13.71562  
1 1 1 -24 11  25 o 21.791  8.4485  282.918    284.814  598.719    350.004  -336.1008  490.025  28.554  9.5880  18.177  8.7079  10.37690       12.95212  
1 1 1 -24 11  26 o 23.275  9.3231  351.708    357.014  351.708    357.014  0.0000     0.0000   23.275  9.3231  ?       ?       0.000000       9.323093  
1 1 1 -24 11  27 o 24.088  10.325  380.933    481.527  380.933    481.527  0.0000     0.0000   24.088  10.325  ?       ?       0.000000       10.32450  
1 1 1 -24 12  1  o 114.604 3.0710  7145.46    381.200  6679.80    525.427  7662.96    553.894  110.544 4.3884  118.417 4.3186  -7.873367      6.156972  
1 1 1 -24 12  2  o 179.087 3.6946  17483.26   716.640  17520.71   1004.90  17444.51   1022.29  178.709 5.1917  178.275 5.2944  0.4347534      7.415088  
1 1 1 -24 12  3  o 120.555 3.1675  7908.85    413.587  7353.82    573.142  8511.89    597.415  115.948 4.5638  124.783 4.4203  -8.834541      6.353545  
1 1 1 -24 12  4  o 162.372 3.5113  14363.38   617.521  14401.35   861.228  14323.21   885.907  162.127 4.9045  161.626 5.0606  0.5009003      7.047259  
1 1 1 -24 12  5  o 99.613  3.1965  5400.74    344.870  5189.85    479.127  5627.48    496.793  97.400  4.5417  101.428 4.5222  -4.027878      6.409169  
1 1 1 -24 12  6  o 118.233 3.2267  7610.00    413.204  7792.62    571.194  7409.52    598.478  119.372 4.4179  116.312 4.7506  3.059509       6.487373  
1 1 1 -24 12  7  o 129.210 3.2574  9091.00    455.870  8881.09    631.292  9319.73    658.993  127.371 4.5760  130.452 4.6640  -3.080391      6.534006  
1 1 1 -24 12  8  f 63.668  3.1068  2206.75    214.244  2198.15    256.732  2226.49    388.828  63.359  3.7579  63.313  5.7323  0.4633713E-01  6.854293  
1 1 1 -24 12  9  o 48.674  3.8078  1301.32    199.142  1378.35    232.097  1086.35    387.720  50.002  4.3283  43.203  8.5882  6.798477       9.617240  
1 1 1 -24 12  10 o 28.691  6.2313  473.185    188.095  386.309    228.355  656.508    331.717  25.987  7.6193  33.421  8.9744  -7.433899      11.77255  
1 1 1 -24 12  11 o 118.255 3.1503  7622.20    403.499  7989.00    470.024  6594.51    786.743  120.951 3.5879  108.571 6.7234  12.38025       7.620839  
1 1 1 -24 12  12 o 96.082  3.0999  5032.53    322.600  5456.06    378.340  3904.37    617.484  99.955  3.4947  83.297  6.9066  16.65822       7.740400  
1 1 1 -24 12  13 o 28.335  6.2387  463.779    186.280  560.820    225.837  257.225    329.485  31.068  6.8918  24.133  9.1546  6.934641       11.45879  
1 1 1 -24 12  14 o 76.519  3.4952  3202.26    289.676  3164.95    335.600  3311.28    573.688  75.826  4.1016  76.407  7.0104  -0.5805130     8.122105  
1 1 1 -24 12  15 o 19.251  7.1392  169.328    197.991  150.626    225.870  231.370    411.390  19.484  7.5322  25.065  10.019  -5.580713      12.53468  
1 1 1 -24 12  16 o 38.528  5.4589  842.116    221.425  825.292    254.022  895.341    451.811  37.815  6.4325  37.973  10.587  -0.1580276     12.38837  
1 1 1 -24 12  17 o 41.208  4.8299  954.555    211.482  1084.54    276.693  771.942    327.961  43.542  6.0289  35.705  8.5859  7.836479       10.49120  
1 1 1 -24 12  18 o 27.149  7.1290  438.345    212.314  484.984    292.798  386.631    308.316  28.438  8.6974  26.140  8.9960  2.298279       12.51285  
1 1 1 -24 12  19 o 22.902  7.4744  299.676    213.124  167.401    292.277  449.866    311.441  21.151  8.4485  27.535  9.0378  -6.384604      12.37169  
1 1 1 -24 12  20 o 23.702  7.5311  330.912    217.351  419.817    299.261  231.659    316.198  26.520  8.8660  22.668  8.8702  3.852129       12.54140  
1 1 1 -24 12  21 o 24.395  2.2569  328.106    58.959   589.609    310.923  318.352    60.048   30.295  8.8930  24.011  2.3387  6.284407       9.195377  
1 1 1 -24 12  22 f 23.802  7.9843  351.502    242.708  358.651    340.064  344.079    346.510  24.594  9.3073  24.370  9.3537  0.2238102      13.19540  
1 1 1 -24 12  23 o 32.702  7.5844  687.508    263.421  937.324    387.721  473.330    359.001  36.638  9.6402  26.669  9.6580  9.969301       13.64590  
1 1 1 -24 12  24 o 43.204  5.7588  1123.04    262.769  1025.71    367.761  1224.57    375.585  38.636  8.9619  42.914  8.3812  -4.277679      12.27026  
1 1 1 -24 12  25 o 19.746  8.8037  62.384     381.772  62.384     381.772  0.0000     0.0000   19.746  8.8037  ?       ?       0.000000       8.803741  
1 1 1 -24 12  26 f 19.849  8.6189  139.880    344.206  139.880    344.206  0.0000     0.0000   19.849  8.6189  ?       ?       0.000000       8.618934  
1 1 1 -24 12  27 o 22.805  10.046  270.887    482.423  270.887    482.423  0.0000     0.0000   22.805  10.046  ?       ?       0.000000       10.04564  
1 1 1 -24 13  1  o 146.677 3.3766  11716.24   536.430  12141.46   752.633  11277.21   764.767  148.939 4.6656  143.454 4.9220  5.484314       6.781898  
1 1 1 -24 13  2  o 181.958 3.7333  18051.94   735.763  17905.03   1033.91  18202.66   1047.27  180.606 5.2854  182.089 5.3101  -1.483398      7.492212  
1 1 1 -24 13  3  o 23.176  6.9545  301.199    188.498  470.252    242.794  44.698     299.069  28.570  7.6805  19.724  8.2807  8.846233       11.29424  
1 1 1 -24 13  4  o 86.867  3.1622  4106.49    297.514  3826.52    402.810  4442.56    441.318  83.535  4.4683  90.007  4.5416  -6.472580      6.371154  
1 1 1 -24 13  5  o 60.578  3.8685  2010.03    252.498  1974.95    336.387  2055.30    382.145  59.761  5.2503  60.818  5.8744  -1.057446      7.878711  
1 1 1 -24 13  6  o 105.267 3.1193  6030.53    355.642  5849.23    482.293  6246.61    526.518  103.443 4.3047  106.841 4.5499  -3.397903      6.263554  
1 1 1 -24 13  7  o 158.346 3.4889  13665.03   598.364  12963.14   832.155  14416.45   861.013  153.715 4.9983  162.142 4.9028  -8.427277      7.001419  
1 1 1 -24 13  8  o 136.491 3.2963  10149.10   487.306  10346.47   562.560  9555.87    975.299  137.685 3.7723  130.969 6.8998  6.716644       7.863687  
1 1 1 -24 13  9  o 109.632 3.0950  6544.97    367.507  6852.42    427.989  5681.93    717.076  112.085 3.5255  100.971 6.5931  11.11420       7.476475  
1 1 1 -24 13  10 o 109.807 3.1601  6570.13    375.837  6814.66    439.515  5904.86    724.946  111.721 3.6322  102.875 6.5401  8.846039       7.481055  
1 1 1 -24 13  11 o 123.957 3.2604  8379.16    437.733  8382.10    512.231  8371.21    842.850  123.819 3.8195  122.555 6.3716  1.263847       7.428729  
1 1 1 -24 13  12 o 75.955  3.2697  3147.49    268.990  3136.88    317.473  3174.51    506.435  75.615  3.8896  75.305  6.2660  0.3095398      7.375034  
1 1 1 -24 13  13 f 92.656  3.2273  4685.42    323.881  4739.28    376.384  4531.73    635.758  93.066  3.7340  89.822  6.5807  3.244179       7.566241  
1 1 1 -24 13  14 o 48.898  4.4251  1325.76    231.823  1350.01    265.951  1249.04    473.025  49.172  5.0662  45.494  9.8825  3.677757       11.10538  
1 1 1 -24 13  15 o 39.816  5.1892  892.851    218.466  913.592    250.547  827.062    446.224  40.047  5.9578  36.715  10.618  3.331936       12.17562  
1 1 1 -24 13  16 o 55.820  4.0910  1723.97    245.614  1633.86    282.659  2001.77    496.277  54.092  4.8770  58.521  8.0422  -4.429302      9.405437  
1 1 1 -24 13  17 o 30.713  6.6351  553.814    214.272  603.327    245.720  396.668    437.754  31.891  7.2747  27.948  10.564  3.943462       12.82648  
1 1 1 -24 13  18 o 29.821  6.7453  525.796    212.767  312.068    289.506  776.817    313.749  24.209  8.6853  35.815  8.2572  -11.60543      11.98397  
1 1 1 -24 13  19 o 20.233  7.5245  196.914    220.247  287.240    315.174  110.706    307.905  23.942  8.9820  20.483  8.4848  3.459307       12.35591  
1 1 1 -24 13  20 f 14.380  6.4480  -68.9939   207.953  -291.1815  284.567  185.640    304.637  14.400  6.8237  21.565  8.6213  -7.165709      10.99499  
1 1 1 -24 13  21 o 48.012  4.9470  1318.93    253.569  1149.72    363.191  1479.84    354.181  42.952  8.1040  49.808  6.7383  -6.855423      10.53946  
1 1 1 -24 13  22 o 39.133  6.5076  930.762    266.138  1206.16    390.340  691.528    363.811  42.963  8.6870  31.686  9.6956  11.27735       13.01800  
1 1 1 -24 13  23 f 15.775  6.8200  25.849     213.638  404.697    327.570  -254.5711  281.823  25.159  9.2080  14.263  6.7682  10.89545       11.42788  
1 1 1 -24 13  24 o 30.454  7.6724  609.374    252.955  723.632    348.913  482.786    367.256  31.871  9.4388  26.491  9.7416  5.380356       13.56429  
1 1 1 -24 13  25 o 21.406  8.9324  225.382    344.815  225.382    344.815  0.0000     0.0000   21.406  8.9324  ?       ?       0.000000       8.932367  
1 1 1 -24 13  26 o 24.233  9.3077  409.428    343.262  409.428    343.262  0.0000     0.0000   24.233  9.3077  ?       ?       0.000000       9.307714  
1 1 1 -24 13  27 o 20.490  9.7096  -109.8927  576.056  -109.8927  576.056  0.0000     0.0000   20.490  9.7096  ?       ?       0.000000       9.709563  
1 1 1 -24 14  1  o 144.242 3.3264  11329.16   519.677  11169.72   727.196  11495.56   742.925  142.835 4.7005  144.893 4.7340  -2.057220      6.671248  
1 1 1 -24 14  2  o 101.718 3.1024  5629.70    341.790  5346.37    470.115  5947.39    497.802  98.892  4.3891  104.299 4.4066  -5.406631      6.219506  
1 1 1 -24 14  3  o 132.973 3.2093  9624.19    462.220  9013.25    638.491  10296.92   670.001  128.345 4.5931  137.206 4.5085  -8.861084      6.436064  
1 1 1 -24 14  4  o 50.296  4.0503  1389.76    218.773  1184.66    287.197  1673.31    337.682  46.021  5.8974  54.849  5.7708  -8.827740      8.251111  
1 1 1 -24 14  5  o 43.562  5.0025  1053.67    231.749  1022.74    315.202  1090.06    341.909  42.390  7.1175  43.689  7.4954  -1.299080      10.33631  
1 1 1 -24 14  6  o 139.185 3.3213  10550.38   500.691  10372.41   692.641  10745.15   724.607  137.637 4.6463  140.044 4.7771  -2.407516      6.663988  
1 1 1 -24 14  7  o 54.775  3.3568  1640.57    198.188  1464.27    236.766  2053.25    362.245  51.577  4.2769  60.838  5.5588  -9.260616      7.013750  
1 1 1 -24 14  8  o 82.939  3.1038  3745.17    278.817  3756.04    318.384  3709.39    577.487  82.993  3.5419  81.537  6.5956  1.455544       7.486453  
1 1 1 -24 14  9  o 83.923  3.1902  3836.92    289.977  3962.96    342.231  3516.12    546.000  85.202  3.7085  79.391  6.4042  5.810844       7.400433  
1 1 1 -24 14  10 o 61.280  3.5957  2057.02    237.609  2162.19    284.512  1814.56    431.992  62.702  4.2138  56.559  7.2163  6.143291       8.356562  
1 1 1 -24 14  11 o 51.828  4.0493  1479.08    225.502  1379.06    272.460  1696.59    401.793  49.783  5.1263  54.717  6.9354  -4.933537      8.624256  
1 1 1 -24 14  12 o 55.462  3.9960  1692.85    238.433  1747.39    291.950  1583.62    413.175  56.145  4.8485  52.602  7.4612  3.542683       8.898186  
1 1 1 -24 14  13 o 65.462  3.7970  2353.44    268.059  2462.27    317.743  2084.74    499.255  66.802  4.4164  60.239  7.8376  6.562931       8.996240  
1 1 1 -24 14  14 o 74.277  3.6091  3019.92    290.355  2908.00    341.414  3312.43    551.943  72.585  4.3630  76.529  6.7271  -3.944214      8.018080  
1 1 1 -24 14  15 o 24.765  7.4414  354.138    215.708  376.073    249.785  289.794    427.808  25.614  8.0665  26.272  10.307  -0.6576729     13.08833  
1 1 1 -24 14  16 o 37.934  5.8710  822.716    233.427  911.468    272.977  581.260    450.252  39.721  6.5751  31.581  10.871  8.139952       12.70474  
1 1 1 -24 14  17 o 74.957  3.7397  3089.58    303.609  2902.61    356.334  3584.90    579.977  72.247  4.5774  79.102  6.8367  -6.854965      8.227542  
1 1 1 -24 14  18 o 30.880  6.3703  559.037    205.988  622.993    271.160  471.769    316.747  32.153  7.8539  28.185  9.1059  3.967190       12.02501  
1 1 1 -24 14  19 o 42.919  5.0719  1044.19    231.215  1068.56    317.134  1016.53    337.821  42.546  7.1345  41.125  7.8710  1.421558       10.62324  
1 1 1 -24 14  20 o 18.683  7.4763  126.745    229.341  179.057    338.553  82.382     311.773  22.101  8.9975  19.925  8.4147  2.175550       12.31915  
1 1 1 -24 14  21 o 18.573  7.5509  121.278    238.035  94.890     363.254  141.135    315.118  20.941  8.9712  20.661  8.5732  0.2803345      12.40896  
1 1 1 -24 14  22 o 17.701  7.3383  98.667     230.581  17.703     324.412  181.328    327.795  18.670  8.2303  21.189  8.7642  -2.518841      12.02289  
1 1 1 -24 14  23 o 40.998  6.8910  1042.62    295.141  1108.47    355.863  897.522    528.258  41.201  8.2620  33.872  11.769  7.329212       14.37912  
1 1 1 -24 14  24 o 17.634  2.0465  172.681    38.359   172.681    38.359   0.0000     0.0000   17.634  2.0465  ?       ?       0.000000       2.046472  
1 1 1 -24 14  25 o 33.263  9.2765  801.896    346.807  801.896    346.807  0.0000     0.0000   33.263  9.2765  ?       ?       0.000000       9.276507  
1 1 1 -24 14  26 o 19.569  8.4946  132.912    334.138  132.912    334.138  0.0000     0.0000   19.569  8.4946  ?       ?       0.000000       8.494596  
1 1 1 -24 14  27 o 22.312  9.9287  224.805    483.090  224.805    483.090  0.0000     0.0000   22.312  9.9287  ?       ?       0.000000       9.928707  
1 1 1 -24 15  1  o 174.363 3.6210  16572.43   683.838  15855.76   960.455  17309.26   973.872  169.957 5.2176  177.646 5.0615  -7.689453      7.269206  
1 1 1 -24 15  2  f 126.249 3.2220  8676.20    440.579  8683.32    616.823  8668.79    629.515  125.989 4.5202  125.856 4.6181  0.1331100      6.462131  
1 1 1 -24 15  3  o 58.484  3.5629  1870.77    224.616  1803.12    291.487  1969.66    352.430  57.193  4.7485  59.616  5.5207  -2.423199      7.281921  
1 1 1 -24 15  4  o 30.366  6.0966  525.977    193.549  422.689    247.458  688.729    310.628  27.219  7.9176  34.399  8.4082  -7.179712      11.54928  
1 1 1 -24 15  5  o 55.589  3.8301  1693.67    229.200  1830.60    301.909  1507.39    352.131  57.595  4.8859  51.856  6.4057  5.738182       8.056302  
1 1 1 -24 15  6  o 44.238  4.5489  1082.05    214.851  861.496    277.973  1409.33    338.615  38.881  6.8510  50.111  6.3839  -11.22931      9.364302  
1 1 1 -24 15  7  o 43.395  4.1557  1038.42    192.934  946.878    215.717  1404.42    431.331  41.266  4.9236  49.400  8.3597  -8.134079      9.701891  
1 1 1 -24 15  8  o 64.645  2.6028  2271.72    182.241  2459.36    275.750  2126.21    242.833  67.010  3.8151  62.329  3.6126  4.681301       5.254092  
1 1 1 -24 15  9  o 44.771  4.1384  1105.59    198.408  1009.45    232.630  1362.14    380.025  42.545  5.1535  48.866  7.4129  -6.321033      9.028253  
1 1 1 -24 15  10 o 17.092  6.5449  113.822    169.401  226.336    200.887  -163.1139  315.164  21.003  7.2595  17.194  7.8028  3.808107       10.65759  
1 1 1 -24 15  11 o 45.427  4.2362  1140.34    206.026  1244.26    245.348  891.823    379.418  47.327  4.8551  38.785  9.1755  8.542385       10.38079  
1 1 1 -24 15  12 o 61.771  3.5185  2091.06    234.432  2245.79    277.566  1706.03    437.860  63.908  4.0306  54.560  7.6173  9.348267       8.617942  
1 1 1 -24 15  13 f 13.932  6.1459  -45.9478   181.200  -97.8903   206.611  127.108    377.125  14.119  6.3708  22.845  9.4205  -8.726231      11.37246  
1 1 1 -24 15  14 o 5.4352  2.3481  -3.1817    25.288   -75.7785   219.845  -2.2082    25.457   14.954  6.6730  5.5048  2.3670  9.449345       7.080390  
1 1 1 -24 15  15 o 40.963  2.4631  917.010    108.770  1281.84    259.041  838.917    119.847  47.839  5.0770  39.111  2.8487  8.727196       5.821627  
1 1 1 -24 15  16 o 46.031  4.9013  1187.33    240.604  1282.83    279.395  913.229    473.316  47.661  5.5141  38.216  10.901  9.445797       12.21610  
1 1 1 -24 15  17 o 28.583  6.8454  482.758    209.125  452.694    237.215  587.626    443.035  27.580  7.6652  31.452  10.786  -3.872339      13.23226  
1 1 1 -24 15  18 o 53.657  4.0523  1598.46    233.767  1414.58    311.828  1834.41    353.221  49.774  5.8990  56.792  5.8248  -7.018013      8.290129  
1 1 1 -24 15  19 o 62.008  3.8749  2131.94    258.936  2067.29    356.177  2204.41    377.101  60.347  5.5100  62.256  5.6541  -1.908920      7.894932  
1 1 1 -24 15  20 o 36.778  6.2193  794.707    238.910  871.458    341.226  720.903    334.611  37.353  8.6106  33.760  8.9906  3.593319       12.44882  
1 1 1 -24 15  21 o 12.083  5.7961  -275.4801  218.753  -125.1730  312.715  -419.5117  306.117  16.834  7.6904  13.817  6.6850  3.016902       10.18977  
1 1 1 -24 15  22 o 20.478  8.5827  146.816    320.391  146.816    320.391  0.0000     0.0000   20.478  8.5827  ?       ?       0.000000       8.582691  
1 1 1 -24 15  23 o 21.969  9.1997  204.235    367.601  204.235    367.601  0.0000     0.0000   21.969  9.1997  ?       ?       0.000000       9.199713  
1 1 1 -24 15  24 o 27.291  9.4512  521.061    340.567  521.061    340.567  0.0000     0.0000   27.291  9.4512  ?       ?       0.000000       9.451178  
1 1 1 -24 15  25 o 30.079  9.9322  684.889    375.928  684.889    375.928  0.0000     0.0000   30.079  9.9322  ?       ?       0.000000       9.932226  
1 1 1 -24 15  26 o 30.690  10.064  744.638    386.189  744.638    386.189  0.0000     0.0000   30.690  10.064  ?       ?       0.000000       10.06365  
1 1 1 -24 15  27 o 26.339  10.824  551.985    495.714  551.985    495.714  0.0000     0.0000   26.339  10.824  ?       ?       0.000000       10.82374  
1 1 1 -24 16  1  o 11.447  5.3031  -130.3941  156.178  -229.6642  193.061  57.587     265.670  11.839  5.6133  18.936  7.8658  -7.096423      9.663363  
1 1 1 -24 16  2  f 77.391  3.2591  3260.84    273.191  3193.92    363.094  3348.14    414.737  76.302  4.4124  78.005  4.9343  -1.702789      6.619405  
1 1 1 -24 16  3  o 114.176 3.1395  7094.57    388.246  6718.16    525.450  7547.16    576.175  110.850 4.3765  117.450 4.5293  -6.600746      6.298278  
1 1 1 -24 16  4  o 74.886  3.2886  3053.48    266.738  2521.10    355.323  3740.87    403.751  67.656  4.8817  82.566  4.5322  -14.91024      6.661233  
1 1 1 -24 16  5  o 143.391 3.3366  11198.22   518.194  11094.36   719.311  11310.28   747.157  142.340 4.6657  143.672 4.8014  -1.331802      6.694960  
1 1 1 -24 16  6  o 146.062 2.9548  11606.49   467.447  11100.50   592.430  12441.12   760.879  142.621 3.8352  150.712 4.6612  -8.091812      6.036156  
1 1 1 -24 16  7  o 124.025 3.1775  8376.13    426.837  8269.57    490.832  8706.73    864.529  123.119 3.6808  125.256 6.3938  -2.137535      7.377584  
1 1 1 -24 16  8  o 56.540  3.5422  1750.24    215.825  1896.42    243.029  1204.78    469.468  58.808  3.8365  45.142  9.8765  13.66680       10.59549  
1 1 1 -24 16  9  o 32.939  5.6671  614.908    194.891  734.331    236.321  361.010    344.578  35.904  6.3071  26.652  9.4846  9.252535       11.39016  
1 1 1 -24 16  10 o 98.628  3.1338  5301.10    334.762  5398.29    391.806  5038.30    644.263  99.420  3.6385  95.064  6.2928  4.356277       7.268950  
1 1 1 -24 16  11 o 27.496  6.5674  437.513    192.900  323.812    234.062  678.247    340.579  24.208  7.8284  33.869  9.0930  -9.660849      11.99860  
1 1 1 -24 16  12 o 67.772  3.5372  2516.26    258.745  2565.75    298.898  2368.27    516.845  68.314  4.0579  64.446  7.5474  3.867958       8.569084  
1 1 1 -24 16  13 o 70.453  3.4219  2712.47    261.117  2592.84    301.054  3075.75    524.639  68.640  4.0676  73.850  6.6297  -5.210121      7.778045  
1 1 1 -24 16  14 o 105.753 3.3093  6112.62    379.056  6107.45    445.768  6126.11    720.325  105.521 3.9003  104.391 6.4017  1.129814       7.496323  
1 1 1 -24 16  15 o 72.050  3.6272  2852.60    282.148  2623.47    326.385  3530.18    561.268  68.851  4.3997  78.896  6.6296  -10.04516      7.956688  
1 1 1 -24 16  16 o 46.862  4.6440  1226.24    232.608  1202.28    266.150  1303.75    478.640  46.147  5.4288  46.128  9.8779  0.1802444E-01  11.27142  
1 1 1 -24 16  17 o 22.339  7.5075  275.764    214.591  292.052    245.899  223.737    439.474  23.188  8.0308  25.157  10.248  -1.968796      13.01943  
1 1 1 -24 16  18 o 19.631  7.9776  118.022    265.556  416.894    337.060  -371.1137  431.201  27.065  9.4007  18.155  8.5413  8.909454       12.70148  
1 1 1 -24 16  19 f 49.098  4.6342  1354.42    243.524  1014.42    338.758  1718.03    350.325  41.017  7.9119  54.714  6.0106  -13.69702      9.936038  
1 1 1 -24 16  20 o 23.171  8.5166  287.432    280.647  175.352    349.015  492.499    472.092  22.191  9.0963  29.060  10.974  -6.868744      14.25368  
1 1 1 -24 16  21 o 23.319  9.0183  284.169    323.892  284.169    323.892  0.0000     0.0000   23.319  9.0183  ?       ?       0.000000       9.018308  
1 1 1 -24 16  22 f 24.049  9.1490  340.062    329.683  340.062    329.683  0.0000     0.0000   24.049  9.1490  ?       ?       0.000000       9.149031  
1 1 1 -24 16  23 o 20.539  8.6800  148.773    332.135  148.773    332.135  0.0000     0.0000   20.539  8.6800  ?       ?       0.000000       8.680046  
1 1 1 -24 16  24 o 17.219  7.8207  -57.0675   317.517  -57.0675   317.517  0.0000     0.0000   17.219  7.8207  ?       ?       0.000000       7.820688  
1 1 1 -24 16  25 o 23.759  9.1912  368.965    336.509  368.965    336.509  0.0000     0.0000   23.759  9.1912  ?       ?       0.000000       9.191195  
1 1 1 -24 16  26 o 15.861  7.4657  -177.2238  330.150  -177.2238  330.150  0.0000     0.0000   15.861  7.4657  ?       ?       0.000000       7.465702  
1 1 1 -24 16  27 o 18.188  8.8690  -476.8958  567.715  -476.8958  567.715  0.0000     0.0000   18.188  8.8690  ?       ?       0.000000       8.869004  
1 1 1 -24 17  1  f 84.723  3.1630  3907.04    290.250  3992.43    390.863  3802.06    433.373  85.474  4.2220  83.160  4.8323  2.313622       6.416876  
1 1 1 -24 17  2  o 67.106  3.2864  2452.06    238.864  2605.75    314.076  2241.21    367.878  68.929  4.2273  63.648  5.3869  5.280746       6.847572  
1 1 1 -24 17  3  o 58.958  3.6163  1901.87    229.809  1805.27    302.770  2033.16    352.975  57.181  4.9371  60.589  5.4366  -3.408413      7.343823  
1 1 1 -24 17  4  o 145.272 3.3572  11494.57   528.245  11242.91   726.611  11776.67   769.320  143.287 4.6819  146.591 4.8454  -3.304367      6.737815  
1 1 1 -24 17  5  o 130.909 3.2660  9331.88    463.085  9519.48    640.696  9126.67    670.094  131.897 4.4848  129.053 4.7940  2.844803       6.564775  
1 1 1 -24 17  6  o 117.249 3.0978  7482.94    393.393  7183.90    451.044  8433.58    804.191  114.773 3.6283  123.609 6.0067  -8.835510      7.017527  
1 1 1 -24 17  7  o 34.608  5.3334  673.386    193.495  768.448    219.043  335.684    412.849  36.943  5.6542  27.302  10.273  9.640322       11.72596  
1 1 1 -24 17  8  o 101.034 3.0864  5558.50    337.748  5471.25    386.005  5843.44    697.608  100.148 3.5586  102.521 6.3131  -2.373863      7.247008  
1 1 1 -24 17  9  o 100.508 2.9372  5499.61    319.749  5740.02    389.131  4999.87    561.041  102.567 3.5028  95.068  5.4718  7.499496       6.496943  
1 1 1 -24 17  10 o 104.619 3.0872  5963.85    349.821  6051.38    406.108  5712.09    688.722  105.277 3.5615  101.225 6.3133  4.052094       7.248579  
1 1 1 -24 17  11 o 70.988  3.3352  2749.60    256.435  2850.06    303.011  2496.08    481.368  72.074  3.8961  66.555  6.7721  5.519051       7.812846  
1 1 1 -24 17  12 o 99.564  3.2805  5410.17    353.758  5532.49    412.878  5072.44    686.062  100.553 3.7910  95.032  6.7084  5.520653       7.705530  
1 1 1 -24 17  13 o 126.406 3.2699  8725.84    447.682  9080.64    519.663  7704.60    881.646  128.791 3.7253  116.866 6.9974  11.92496       7.927311  
1 1 1 -24 17  14 o 83.800  3.4082  3840.69    309.341  3913.47    361.807  3642.91    596.438  84.446  3.9557  80.123  6.9415  4.323280       7.989473  
1 1 1 -24 17  15 f 87.143  3.3790  4156.69    318.928  4055.07    369.132  4455.94    633.423  85.898  3.9676  88.666  6.6441  -2.767929      7.738618  
1 1 1 -24 17  16 o 114.237 3.3272  7147.14    411.671  7051.39    477.335  7425.12    813.316  113.236 3.8920  114.418 6.5908  -1.182228      7.654109  
1 1 1 -24 17  17 o 92.861  3.3789  4730.41    339.845  4639.38    393.774  4996.16    672.794  91.744  3.9628  93.505  6.6874  -1.761002      7.773325  
1 1 1 -24 17  18 o 58.818  4.2852  1924.66    271.118  1777.47    316.505  2330.31    525.442  56.132  5.2675  62.892  7.8871  -6.759792      9.484383  
1 1 1 -24 17  19 o 63.745  6.0442  2329.06    412.319  2329.06    412.319  0.0000     0.0000   63.745  6.0442  ?       ?       0.000000       6.044213  
1 1 1 -24 17  20 o 82.249  5.3638  3851.45    475.216  3851.45    475.216  0.0000     0.0000   82.249  5.3638  ?       ?       0.000000       5.363844  
1 1 1 -24 17  21 o 15.377  7.3426  -355.4956  342.448  -355.4956  342.448  0.0000     0.0000   15.377  7.3426  ?       ?       0.000000       7.342615  
1 1 1 -24 17  22 o 47.855  7.9854  1458.01    399.315  1458.01    399.315  0.0000     0.0000   47.855  7.9854  ?       ?       0.000000       7.985446  
1 1 1 -24 17  23 o 37.594  2.2301  778.351    90.402   945.637    347.227  766.188    93.631   37.546  8.7075  37.270  2.3312  0.2764168      9.014152  
1 1 1 -24 17  24 o 40.857  7.3957  1071.04    315.228  1043.10    383.123  1129.59    554.635  38.563  9.2841  36.770  12.060  1.793343       15.22006  
1 1 1 -24 17  25 f 41.351  8.4389  1169.53    365.164  1169.53    365.164  0.0000     0.0000   41.351  8.4389  ?       ?       0.000000       8.438933  
1 1 1 -24 17  26 o 22.780  9.1494  332.170    344.862  332.170    344.862  0.0000     0.0000   22.780  9.1494  ?       ?       0.000000       9.149425  
1 1 1 -24 18  1  o 55.056  4.3298  1667.37    256.111  1252.33    410.603  1931.67    327.663  46.590  8.4480  59.101  5.1708  -12.51073      9.904866  
1 1 1 -24 18  2  o 82.617  3.1379  3715.02    280.787  3589.64    380.069  3865.68    416.630  80.909  4.3530  83.911  4.6017  -3.002007      6.334404  
1 1 1 -24 18  3  o 91.416  3.1075  4548.11    307.689  4724.13    413.211  4329.06    460.972  92.999  4.1023  88.757  4.8131  4.241692       6.324167  
1 1 1 -24 18  4  o 66.241  3.3928  2396.56    242.607  2476.88    313.948  2277.49    382.241  67.167  4.3387  64.111  5.5598  3.056580       7.052336  
1 1 1 -24 18  5  f 70.470  2.9629  2701.80    226.147  2667.52    276.149  2771.60    394.057  69.843  3.6633  70.862  5.1699  -1.018913      6.336197  
1 1 1 -24 18  6  o 14.002  5.9116  12.341     153.800  102.829    167.668  -467.7907  386.220  16.773  6.4881  16.514  7.8613  0.2594051      10.19293  
1 1 1 -24 18  7  o 65.182  3.2948  2320.68    231.855  2463.78    260.942  1783.99    505.334  67.111  3.6030  55.663  8.6638  11.44877       9.383098  
1 1 1 -24 18  8  o 130.909 3.2057  9336.66    454.536  9099.39    521.550  10086.09   926.912  129.098 3.7300  134.887 6.3445  -5.788727      7.359743  
1 1 1 -24 18  9  o 86.638  3.1768  4090.45    298.099  3941.02    344.363  4537.20    595.432  84.937  3.7432  90.291  6.1248  -5.353760      7.178101  
1 1 1 -24 18  10 o 42.238  4.3166  987.658    194.703  1034.17    227.660  861.000    375.699  43.083  4.9700  38.117  9.2042  4.965515       10.46033  
1 1 1 -24 18  11 o 74.321  3.2426  3012.88    261.021  2811.31    304.799  3567.30    505.503  71.563  3.9476  80.021  5.8734  -8.457809      7.076797  
1 1 1 -24 18  12 o 18.322  6.8674  144.990    184.161  54.896     208.339  466.978    393.860  16.932  6.9938  29.287  10.163  -12.35550      12.33659  
1 1 1 -24 18  13 o 53.908  4.1193  1603.89    238.693  1441.86    276.533  2077.40    472.731  50.840  5.0903  60.248  7.3999  -9.407822      8.981669  
1 1 1 -24 18  14 o 74.487  3.4067  3034.81    274.841  3012.71    317.097  3101.56    551.053  73.982  3.9718  73.860  6.9708  0.1225967      8.022923  
1 1 1 -24 18  15 o 53.115  4.1551  1561.86    237.131  1508.95    272.156  1728.63    483.206  51.984  4.8912  54.140  8.5220  -2.156269      9.825889  
1 1 1 -24 18  16 o 37.051  5.7889  785.415    224.713  776.987    257.898  811.989    457.934  36.513  6.7706  36.115  10.840  0.3974838      12.78091  
1 1 1 -24 18  17 o 45.689  5.7914  1190.09    280.162  1190.09    280.162  0.0000     0.0000   45.689  5.7914  ?       ?       0.000000       5.791405  
1 1 1 -24 18  18 f 65.525  4.7700  2401.32    336.203  2401.32    336.203  0.0000     0.0000   65.525  4.7700  ?       ?       0.000000       4.769961  
1 1 1 -24 18  19 o 24.164  8.9988  302.639    315.216  302.639    315.216  0.0000     0.0000   24.164  8.9988  ?       ?       0.000000       8.998826  
1 1 1 -24 18  20 o 30.865  9.6858  610.745    360.491  610.745    360.491  0.0000     0.0000   30.865  9.6858  ?       ?       0.000000       9.685762  
1 1 1 -24 18  21 o 19.489  8.3297  80.347     311.865  80.347     311.865  0.0000     0.0000   19.489  8.3297  ?       ?       0.000000       8.329726  
1 1 1 -24 18  22 o 18.031  7.4204  114.079    233.400  9.6707     321.835  229.913    338.987  18.450  8.1622  22.106  9.0019  -3.655941      12.15134  
1 1 1 -24 18  23 o 18.631  7.6213  137.797    244.367  219.986    344.530  54.591     346.655  21.825  9.0026  19.435  8.5396  2.390352       12.40848  
1 1 1 -24 18  24 o 36.726  8.8000  928.227    345.463  928.227    345.463  0.0000     0.0000   36.726  8.8000  ?       ?       0.000000       8.800033  
1 1 1 -24 18  25 o 29.600  9.9725  667.505    378.651  667.505    378.651  0.0000     0.0000   29.600  9.9725  ?       ?       0.000000       9.972511  
1 1 1 -24 18  26 o 18.177  8.3242  -29.3944   369.374  -29.3944   369.374  0.0000     0.0000   18.177  8.3242  ?       ?       0.000000       8.324212  
1 1 1 -24 19  1  o 77.506  3.9299  3287.77    328.825  3695.70    558.015  3070.76    406.996  81.513  6.3711  74.636  5.0647  6.877510       8.138882  
1 1 1 -24 19  2  o 19.445  6.8757  184.731    180.808  226.559    226.118  110.567    301.091  21.566  7.6823  20.895  8.4935  0.6703930      11.45233  
1 1 1 -24 19  3  o 35.072  5.0596  688.304    186.639  549.754    226.609  980.492    329.084  30.891  6.9420  41.326  7.6333  -10.43498      10.31787  
1 1 1 -24 19  4  o 77.444  3.1951  3265.44    268.007  2909.67    351.406  3760.11    414.366  72.784  4.4794  82.733  4.6430  -9.949211      6.451520  
1 1 1 -24 19  5  o 162.441 3.4962  14383.57   615.130  14297.15   705.913  14656.24   1253.89  161.780 4.0286  162.312 7.1324  -0.5321503     8.191543  
1 1 1 -24 19  6  o 134.474 3.2081  9848.48    467.253  9720.92    534.854  10259.57   960.179  133.477 3.6996  136.060 6.5155  -2.583939      7.492636  
1 1 1 -24 19  7  o 89.228  3.0563  4334.58    295.368  4314.82    335.123  4403.32    625.216  88.955  3.4783  88.871  6.5413  0.8336639E-01  7.408542  
1 1 1 -24 19  8  o 50.459  3.9885  1400.38    216.202  1381.42    244.607  1468.07    462.240  49.994  4.5678  50.273  8.8103  -0.2782860     9.924029  
1 1 1 -24 19  9  o 35.307  5.3049  701.418    196.592  680.560    222.005  777.200    423.160  34.556  6.1574  36.163  10.304  -1.607498      12.00375  
1 1 1 -24 19  10 o 129.539 3.2398  9150.13    454.564  9402.30    528.691  8435.23    890.178  131.168 3.7214  122.829 6.7167  8.339767       7.678705  
1 1 1 -24 19  11 o 94.326  3.2225  4853.08    329.222  4831.31    377.140  4922.78    674.883  94.006  3.7041  93.679  6.6955  0.3264236      7.651818  
1 1 1 -24 19  12 o 33.634  5.8797  645.140    206.396  689.143    235.130  497.388    430.857  34.616  6.5104  30.256  10.622  4.359995       12.45820  
1 1 1 -24 19  13 o 46.858  1.7647  1192.07    89.562   711.873    240.913  1269.07    96.477   35.132  6.5728  48.343  1.8426  -13.21021      6.826135  
1 1 1 -24 19  14 o 31.164  6.3768  562.825    207.988  583.884    240.095  499.499    416.339  31.545  7.1876  29.934  10.445  1.610218       12.67914  
1 1 1 -24 19  15 o 20.058  7.3106  194.261    206.171  331.963    237.035  -233.6304  417.839  24.259  7.8809  19.230  8.8238  5.029202       11.83079  
1 1 1 -24 19  16 o 36.827  6.7096  789.744    257.771  789.744    257.771  0.0000     0.0000   36.827  6.7096  ?       ?       0.000000       6.709617  
1 1 1 -24 19  17 o 58.881  4.9107  1941.81    310.318  1941.81    310.318  0.0000     0.0000   58.881  4.9107  ?       ?       0.000000       4.910659  
1 1 1 -24 19  18 o 66.002  5.0007  2444.52    354.834  2444.52    354.834  0.0000     0.0000   66.002  5.0007  ?       ?       0.000000       5.000746  
1 1 1 -24 19  19 o 43.307  7.5094  1121.42    339.468  1121.42    339.468  0.0000     0.0000   43.307  7.5094  ?       ?       0.000000       7.509415  
1 1 1 -24 19  20 o 54.773  5.1078  1711.13    299.525  1941.86    365.233  1237.22    523.436  57.899  5.9068  42.563  11.202  15.33670       12.66386  
1 1 1 -24 19  21 o 46.931  5.0713  1271.70    253.685  1404.34    351.717  1127.86    366.254  48.110  6.9514  42.073  8.3321  6.037399       10.85104  
1 1 1 -24 19  22 o 39.228  5.9374  921.863    244.380  870.331    332.934  982.061    359.842  36.267  8.6053  38.409  8.8340  -2.142281      12.33246  
1 1 1 -24 19  23 o 28.023  7.9187  516.383    250.982  455.683    356.912  575.761    353.005  26.185  9.6073  28.710  9.6291  -2.525337      13.60221  
1 1 1 -24 19  24 o 15.542  7.2986  -196.2072  312.423  -196.2072  312.423  0.0000     0.0000   15.542  7.2986  ?       ?       0.000000       7.298607  
1 1 1 -24 19  25 o 19.898  8.5512  144.836    331.904  144.836    331.904  0.0000     0.0000   19.898  8.5512  ?       ?       0.000000       8.551167  
1 1 1 -24 19  26 o 54.214  6.9433  1891.67    398.339  1891.67    398.339  0.0000     0.0000   54.214  6.9433  ?       ?       0.000000       6.943264  
1 1 1 -24 20  1  o 77.421  3.8011  3271.17    318.747  3330.13    512.141  3233.89    407.233  77.406  6.1596  76.626  4.9330  0.7798996      7.891436  
1 1 1 -24 20  2  o 53.728  4.6465  1592.54    267.733  2070.96    411.492  1241.33    352.565  60.889  6.3321  46.743  7.1946  14.14618       9.584299  
1 1 1 -24 20  3  o 66.722  3.3998  2431.87    244.882  2280.90    323.241  2635.24    375.162  64.364  4.6685  69.116  5.0464  -4.751442      6.874679  
1 1 1 -24 20  4  o 123.090 2.8198  8240.13    375.933  8136.38    471.830  8420.47    622.094  122.158 3.5661  123.984 4.6325  -1.826363      5.846147  
1 1 1 -24 20  5  o 76.019  3.0715  3145.63    252.895  3166.80    283.882  3064.21    556.665  76.225  3.4385  73.923  7.0375  2.301659       7.832598  
1 1 1 -24 20  6  o 44.133  3.9847  1072.58    188.419  1139.04    208.397  774.948    441.007  45.433  4.2856  36.264  10.576  9.169052       11.41113  
1 1 1 -24 20  7  o 161.427 3.4680  14210.65   606.357  14339.85   696.717  13807.20   1231.16  161.985 3.9711  157.308 7.2259  4.676575       8.245199  
1 1 1 -24 20  8  o 154.822 3.3905  13072.06   568.549  12796.20   654.678  13918.44   1146.74  152.988 3.9509  158.164 6.6940  -5.175690      7.773032  
1 1 1 -24 20  9  o 130.431 3.2544  9275.26    459.744  9396.79    530.709  8909.80    920.308  131.143 3.7363  126.278 6.7532  4.864822       7.717916  
1 1 1 -24 20  10 o 54.116  2.4768  1592.40    145.171  1796.07    259.546  1499.67    175.126  57.101  4.2267  52.366  3.1015  4.734558       5.242517  
1 1 1 -24 20  11 o 37.209  5.0542  776.406    198.422  718.664    220.438  1022.93    455.481  35.548  5.9346  41.198  10.249  -5.649853      11.84356  
1 1 1 -24 20  12 f 84.321  2.8898  3874.66    263.924  4009.18    355.386  3709.24    394.097  85.569  3.8345  82.035  4.4521  3.534225       5.875789  
1 1 1 -24 20  13 o 90.117  3.3274  4437.81    324.774  4389.33    378.233  4573.87    633.654  89.473  3.9030  90.129  6.5355  -0.6559601     7.612255  
1 1 1 -24 20  14 o 53.465  4.2601  1582.53    244.643  1634.03    285.802  1441.37    473.197  54.137  4.9281  49.108  9.2355  5.028912       10.46806  
1 1 1 -24 20  15 o 23.155  8.1286  282.790    252.330  282.790    252.330  0.0000     0.0000   23.155  8.1286  ?       ?       0.000000       8.128591  
1 1 1 -24 20  16 o 31.389  7.8620  589.567    266.714  589.567    266.714  0.0000     0.0000   31.389  7.8620  ?       ?       0.000000       7.861997  
1 1 1 -24 20  17 o 33.842  7.7284  686.263    277.066  686.263    277.066  0.0000     0.0000   33.842  7.7284  ?       ?       0.000000       7.728437  
1 1 1 -24 20  18 o 41.709  5.8127  998.144    255.450  998.144    255.450  0.0000     0.0000   41.709  5.8127  ?       ?       0.000000       5.812653  
1 1 1 -24 20  19 o 24.393  8.2565  343.130    259.561  538.798    312.415  -92.9224   466.382  29.517  8.9749  21.370  9.6136  8.147137       13.15180  
1 1 1 -24 20  20 o 39.744  5.7885  921.962    241.858  995.190    333.849  841.081    350.862  40.123  7.9632  36.227  8.9856  3.896229       12.00638  
1 1 1 -24 20  21 o 47.109  2.3448  1216.64    119.640  1447.69    374.253  1190.34    126.266  48.504  7.3546  46.490  2.5170  2.014442       7.773353  
1 1 1 -24 20  22 o 43.423  5.1136  1100.09    235.893  1160.51    367.137  1057.61    307.847  42.314  8.3073  41.230  7.1530  1.084038       10.96250  
1 1 1 -24 20  23 o 29.252  7.8188  561.419    252.480  544.893    330.579  584.555    391.131  28.097  9.3157  28.700  10.117  -0.6031380     13.75229  
1 1 1 -24 20  24 o 23.184  9.3344  313.208    359.898  313.208    359.898  0.0000     0.0000   23.184  9.3344  ?       ?       0.000000       9.334441  
1 1 1 -24 20  25 o 25.220  9.3894  448.202    343.131  448.202    343.131  0.0000     0.0000   25.220  9.3894  ?       ?       0.000000       9.389434  
1 1 1 -24 20  26 o 21.149  9.0947  206.135    375.866  206.135    375.866  0.0000     0.0000   21.149  9.0947  ?       ?       0.000000       9.094700  
1 1 1 -24 21  1  o 98.057  3.0695  5233.82    326.000  5480.17    445.947  4951.08    477.762  100.135 4.1118  95.060  4.6403  5.075111       6.199898  
1 1 1 -24 21  2  o 90.211  3.7390  4440.44    365.326  5164.18    632.289  4077.76    447.599  96.513  6.0797  86.106  4.8187  10.40704       7.757797  
1 1 1 -24 21  3  o 120.114 2.8248  7846.82    367.491  7888.48    459.219  7772.64    612.829  120.288 3.5247  119.078 4.7516  1.210480       5.916189  
1 1 1 -24 21  4  o 60.969  3.3591  2031.46    220.962  2091.98    245.084  1768.63    510.749  61.818  3.6770  55.393  8.8078  6.424881       9.544532  
1 1 1 -24 21  5  o 167.492 3.6658  15305.62   665.017  15469.70   734.639  14560.97   1565.03  168.258 4.0312  160.152 9.0595  8.105789       9.915885  
1 1 1 -24 21  6  o 155.143 3.3801  13119.64   567.973  12489.41   652.998  15078.06   1151.10  151.179 3.9879  164.921 6.4442  -13.74135      7.578355  
1 1 1 -24 21  7  o 110.768 3.1016  6682.43    372.113  6574.44    426.457  7027.00    761.757  109.764 3.5871  112.441 6.2800  -2.677391      7.232260  
1 1 1 -24 21  8  o 109.188 3.0760  6494.25    363.770  6306.81    414.828  7118.18    756.840  107.493 3.5630  113.149 6.1992  -5.655991      7.150198  
1 1 1 -24 21  9  f 36.747  5.1393  757.340    198.955  771.384    224.717  706.410    427.939  36.924  5.8110  34.629  10.498  2.295143       11.99932  
1 1 1 -24 21  10 o 18.765  6.9928  154.422    190.403  176.533    213.113  66.944     423.889  19.908  7.4021  23.156  9.7972  -3.247911      12.27906  
1 1 1 -24 21  11 o 82.539  3.2372  3717.01    289.396  3566.70    344.410  4078.06    533.765  80.709  3.9399  85.576  5.7928  -4.867737      7.005702  
1 1 1 -24 21  12 o 73.758  3.4409  2973.00    274.888  2751.06    312.993  3721.66    574.852  70.703  4.1049  81.315  6.5835  -10.61282      7.758390  
1 1 1 -24 21  13 o 66.251  3.7912  2412.91    270.914  2358.09    316.722  2562.38    522.983  65.291  4.5063  66.964  7.3304  -1.672699      8.604732  
1 1 1 -24 21  14 o 93.727  4.3948  4840.83    446.141  4840.83    446.141  0.0000     0.0000   93.727  4.3948  ?       ?       0.000000       4.394787  
1 1 1 -24 21  15 o 79.012  4.5027  3458.61    383.737  3458.61    383.737  0.0000     0.0000   79.012  4.5027  ?       ?       0.000000       4.502708  
1 1 1 -24 21  16 o 23.029  8.1555  279.638    254.477  279.638    254.477  0.0000     0.0000   23.029  8.1555  ?       ?       0.000000       8.155481  
1 1 1 -24 21  17 o 22.939  8.3084  271.414    265.691  271.414    265.691  0.0000     0.0000   22.939  8.3084  ?       ?       0.000000       8.308432  
1 1 1 -24 21  18 o 57.538  4.0753  1839.43    252.323  1703.54    286.179  2314.00    534.792  55.072  4.8472  62.415  8.1020  -7.343266      9.441289  
1 1 1 -24 21  19 o 63.739  2.7341  2224.60    188.751  1992.11    360.167  2312.63    221.622  59.004  5.7071  64.870  3.1543  -5.866123      6.520738  
1 1 1 -24 21  20 o 38.314  6.2167  868.336    249.138  959.120    355.403  780.619    349.345  38.889  8.6601  34.729  9.1568  4.159607       12.60335  
1 1 1 -24 21  21 o 18.584  7.2219  160.113    208.481  649.029    329.793  -165.3173  269.062  31.162  9.1622  14.936  6.9341  16.22572       11.49032  
1 1 1 -24 21  22 o 17.096  6.9704  104.756    203.579  117.183    307.806  95.094     271.423  19.696  8.3417  18.553  7.8441  1.142765       11.45050  
1 1 1 -24 21  23 o 11.741  2.6824  79.106     33.364   447.409    317.997  75.006     33.549   25.885  9.1221  11.425  2.7454  14.46030       9.526248  
1 1 1 -24 21  24 o 22.958  9.0292  317.565    329.064  317.565    329.064  0.0000     0.0000   22.958  9.0292  ?       ?       0.000000       9.029236  
1 1 1 -24 21  25 o 31.707  10.349  791.189    408.583  791.189    408.583  0.0000     0.0000   31.707  10.349  ?       ?       0.000000       10.34909  
1 1 1 -24 21  26 o 22.273  9.5299  263.222    408.994  263.222    408.994  0.0000     0.0000   22.273  9.5299  ?       ?       0.000000       9.529930  
1 1 1 -24 22  1  o 83.716  3.5338  3821.64    320.418  4001.19    379.052  3372.16    599.735  85.560  4.0903  77.489  7.2293  8.071091       8.306228  
1 1 1 -24 22  2  o 59.662  4.3439  1957.63    278.775  1698.77    433.776  2139.78    363.868  54.702  7.5203  62.123  5.4634  -7.420952      9.295304  
1 1 1 -24 22  3  o 77.647  3.6224  3288.61    304.646  3271.65    357.944  3333.17    580.268  77.218  4.2968  77.121  7.0238  0.9717560E-01  8.233863  
1 1 1 -24 22  4  o 31.784  5.4204  570.754    179.904  472.915    197.450  1049.03    436.556  28.668  6.5079  42.134  9.7580  -13.46663      11.72907  
1 1 1 -24 22  5  o 42.446  4.2223  994.937    191.538  974.460    212.866  1082.03    439.019  41.889  4.7772  42.799  9.6954  -0.9095650     10.80845  
1 1 1 -24 22  6  o 41.639  4.1118  957.092    183.018  1032.34    201.239  597.096    440.151  43.211  4.3594  32.557  10.747  10.65393       11.59757  
1 1 1 -24 22  7  o 35.927  1.4709  699.936    57.237   445.956    189.400  725.462    60.044   27.816  6.4173  36.575  1.5157  -8.758978      6.593823  
1 1 1 -24 22  8  o 18.658  6.5403  173.273    163.324  232.367    178.781  -124.8309  401.544  20.801  6.8485  20.219  9.0206  0.5829201      11.32576  
1 1 1 -24 22  9  o 67.467  2.5487  2475.50    186.247  2249.81    282.164  2649.75    247.930  63.980  4.0933  69.705  3.2840  -5.724991      5.247789  
1 1 1 -24 22  10 o 90.986  3.1984  4514.54    315.194  4384.19    359.047  4952.49    658.152  89.558  3.7015  94.078  6.4989  -4.519958      7.479098  
1 1 1 -24 22  11 o 43.388  4.4187  1044.04    204.750  1087.37    227.614  860.307    468.730  44.188  4.8347  37.729  10.875  6.458851       11.90083  
1 1 1 -24 22  12 o 54.178  4.9710  1633.00    288.449  1633.00    288.449  0.0000     0.0000   54.178  4.9710  ?       ?       0.000000       4.971002  
1 1 1 -24 22  13 o 51.652  4.9630  1487.39    274.233  1487.39    274.233  0.0000     0.0000   51.652  4.9630  ?       ?       0.000000       4.962997  
1 1 1 -24 22  14 o 28.470  8.4182  477.708    277.715  477.708    277.715  0.0000     0.0000   28.470  8.4182  ?       ?       0.000000       8.418201  
1 1 1 -24 22  15 o 63.410  4.6326  2234.91    315.963  2234.91    315.963  0.0000     0.0000   63.410  4.6326  ?       ?       0.000000       4.632621  
1 1 1 -24 22  16 o 52.457  4.1728  1527.61    235.122  1312.78    267.077  2267.70    495.706  48.275  5.1894  62.465  7.4753  -14.19010      9.100003  
1 1 1 -24 22  17 o 60.363  3.8959  2016.32    253.355  2064.75    287.648  1848.75    535.039  60.914  4.3893  55.166  9.2843  5.747883       10.26960  
1 1 1 -24 22  18 o 77.015  3.5852  3265.98    299.058  3278.43    343.166  3226.65    609.758  76.848  4.1381  74.062  7.7146  2.786728       8.754414  
1 1 1 -24 22  19 o 26.624  7.5483  429.903    227.664  383.890    269.855  543.521    424.044  25.452  8.4156  29.818  10.531  -4.366364      13.48061  
1 1 1 -24 22  20 o 61.285  3.8251  2097.85    252.639  1933.16    362.399  2253.55    352.381  57.641  5.8874  62.714  5.2357  -5.072163      7.878660  
1 1 1 -24 22  21 o 40.069  5.4066  941.895    228.649  1028.40    328.144  860.260    318.777  40.348  7.7909  36.495  8.2574  3.852966       11.35263  
1 1 1 -24 22  22 o 45.754  2.4807  1154.84    122.477  1372.59    350.485  1124.55    130.718  47.072  7.0947  45.076  2.6897  1.995903       7.587473  
1 1 1 -24 22  23 o 16.630  7.2730  21.806     248.877  239.907    343.033  -220.5909  361.635  22.036  9.0236  16.677  7.8382  5.358746       11.95256  
1 1 1 -24 22  24 o 22.081  8.9003  270.400    327.601  270.400    327.601  0.0000     0.0000   22.081  8.9003  ?       ?       0.000000       8.900316  
1 1 1 -24 22  25 o 47.118  8.4160  1516.16    413.740  1516.16    413.740  0.0000     0.0000   47.118  8.4160  ?       ?       0.000000       8.415956  
1 1 1 -24 22  26 o 51.043  8.4011  1793.19    448.289  1793.19    448.289  0.0000     0.0000   51.043  8.4011  ?       ?       0.000000       8.401053  
1 1 1 -24 23  1  o 83.544  3.5280  3806.38    319.240  3835.91    377.739  3732.57    597.205  83.752  4.1641  81.695  6.8114  2.057343       7.983434  
1 1 1 -24 23  2  o 104.560 3.5240  5961.89    399.092  5856.61    476.650  6208.78    729.913  103.470 4.2532  105.684 6.4069  -2.214684      7.690122  
1 1 1 -24 23  3  o 20.145  7.1235  199.586    194.080  204.746    219.506  181.103    415.440  20.837  7.5511  24.761  10.008  -3.923845      12.53710  
1 1 1 -24 23  4  o 114.005 3.0801  7076.41    380.323  7059.72    431.350  7134.71    806.106  113.782 3.5002  113.213 6.6026  0.5685196      7.472948  
1 1 1 -24 23  5  o 22.847  6.5080  297.008    168.827  213.638    186.010  686.750    402.177  20.379  6.9889  34.249  10.131  -13.86970      12.30816  
1 1 1 -24 23  6  o 82.609  3.0089  3715.56    269.215  3815.72    302.298  3331.62    591.862  83.663  3.3360  76.958  7.1837  6.705009       7.920485  
1 1 1 -24 23  7  o 83.294  3.0507  3778.80    275.220  3671.49    310.764  4169.04    592.629  82.029  3.4978  86.447  6.3744  -4.417358      7.270985  
1 1 1 -24 23  8  o 85.877  3.1744  4019.53    295.263  4149.82    336.932  3588.34    612.942  87.185  3.5681  79.816  7.1666  7.368599       8.005651  
1 1 1 -24 23  9  o 148.730 3.4309  12072.35   552.687  12085.34   635.947  12032.27   1117.27  148.624 3.9506  146.688 7.0322  1.935837       8.065922  
1 1 1 -24 23  10 o 81.476  3.2446  3621.28    286.327  3561.91    324.667  3829.05    607.372  80.715  3.7138  82.494  6.8599  -1.779182      7.800655  
1 1 1 -24 23  11 o 96.378  4.1239  5093.10    430.480  5093.10    430.480  0.0000     0.0000   96.378  4.1239  ?       ?       0.000000       4.123888  
1 1 1 -24 23  12 o 76.490  4.5341  3230.88    373.964  3230.88    373.964  0.0000     0.0000   76.490  4.5341  ?       ?       0.000000       4.534136  
1 1 1 -24 23  13 o 70.470  4.5034  2746.57    341.935  2746.57    341.935  0.0000     0.0000   70.470  4.5034  ?       ?       0.000000       4.503430  
1 1 1 -24 23  14 o 44.003  5.9698  1101.02    277.175  1101.02    277.175  0.0000     0.0000   44.003  5.9698  ?       ?       0.000000       5.969767  
1 1 1 -24 23  15 o 59.048  4.0338  1927.63    256.440  2101.32    298.579  1439.25    500.668  61.508  4.5134  48.541  9.8595  12.96707       10.84342  
1 1 1 -24 23  16 o 44.445  2.2494  1078.47    107.930  1171.73    251.042  1057.33    119.542  45.575  5.1776  43.960  2.5212  1.614826       5.758802  
1 1 1 -24 23  17 o 14.634  6.4691  -45.8938   201.789  15.333     226.692  -279.5309  442.829  16.593  7.0971  19.269  8.9279  -2.676073      11.40509  
1 1 1 -24 23  18 o 19.980  7.3977  193.804    212.421  170.308    247.712  259.093    412.928  20.191  7.8649  24.978  10.019  -4.786066      12.73720  
1 1 1 -24 23  19 o 52.208  4.6183  1536.02    258.459  1472.59    306.758  1691.25    479.858  50.606  5.6956  52.350  8.7735  -1.743561      10.46011  
1 1 1 -24 23  20 o 44.927  4.8063  1153.33    230.250  1210.38    326.956  1097.21    324.307  44.828  6.9597  42.421  7.3231  2.407093       10.10270  
1 1 1 -24 23  21 o 58.080  4.1978  1911.82    262.292  2424.35    419.263  1582.23    336.210  63.899  6.1333  51.526  6.1457  12.37263       8.682516  
1 1 1 -24 23  22 o 45.002  5.0092  1179.00    240.016  1182.28    373.944  1176.71    312.996  42.562  8.4100  43.718  6.8339  -1.155853      10.83650  
1 1 1 -24 23  23 o 43.436  7.7576  1215.95    351.574  1215.95    351.574  0.0000     0.0000   43.436  7.7576  ?       ?       0.000000       7.757635  
1 1 1 -24 23  24 o 15.165  7.3168  -380.1570  360.446  -380.1570  360.446  0.0000     0.0000   15.165  7.3168  ?       ?       0.000000       7.316803  
1 1 1 -24 23  25 o 20.674  9.3539  70.532     448.915  70.532     448.915  0.0000     0.0000   20.674  9.3539  ?       ?       0.000000       9.353902  
1 1 1 -24 23  26 o 22.531  9.4910  291.088    395.017  291.088    395.017  0.0000     0.0000   22.531  9.4910  ?       ?       0.000000       9.490999  
1 1 1 -24 24  1  o 34.758  4.6010  673.334    168.956  612.289    193.708  867.451    345.427  32.885  5.6416  38.528  8.5053  -5.642643      10.20627  
1 1 1 -24 24  2  o 50.469  4.4480  1405.45    240.655  1423.75    279.954  1353.66    471.019  50.635  5.1775  48.073  9.3830  2.561928       10.71662  
1 1 1 -24 24  3  o 82.725  4.5206  3760.23    403.512  3376.66    541.904  4237.57    604.522  77.779  6.4920  87.205  6.4460  -9.426270      9.148594  
1 1 1 -24 24  4  o 119.352 3.5977  7772.09    465.079  7771.62    556.919  7773.17    845.434  119.154 4.3153  118.139 6.6340  1.015099       7.914071  
1 1 1 -24 24  5  o 10.613  5.0265  -180.5604  153.980  -206.3909  167.379  -38.3298   392.765  10.931  5.1956  21.064  9.1766  -10.13299      10.54530  
1 1 1 -24 24  6  o 59.394  3.3497  1929.41    214.607  1863.71    238.394  2210.20    492.856  58.288  3.7968  62.449  7.4325  -4.161308      8.346168  
1 1 1 -24 24  7  o 68.439  2.5935  2547.23    192.242  2571.70    284.697  2526.72    260.637  68.488  3.8536  67.947  3.5539  0.5410919      5.242202  
1 1 1 -24 24  8  o 28.821  2.0765  453.422    64.386   668.885    189.293  425.233    68.468   34.472  5.2344  27.882  2.2874  6.590477       5.712337  
1 1 1 -24 24  9  f 57.467  3.6759  1811.79    227.598  1885.03    253.015  1501.20    521.023  58.550  4.0140  50.280  9.9197  8.269878       10.70103  
1 1 1 -24 24  10 o 99.727  4.2997  5456.27    464.429  5456.27    464.429  0.0000     0.0000   99.727  4.2997  ?       ?       0.000000       4.299665  
1 1 1 -24 24  11 o 25.280  7.5991  366.201    224.914  366.201    224.914  0.0000     0.0000   25.280  7.5991  ?       ?       0.000000       7.599096  
1 1 1 -24 24  12 o 14.563  6.5019  -74.6446   209.023  -74.6446   209.023  0.0000     0.0000   14.563  6.5019  ?       ?       0.000000       6.501939  
1 1 1 -24 24  13 o 38.371  6.0525  840.767    243.201  840.767    243.201  0.0000     0.0000   38.371  6.0525  ?       ?       0.000000       6.052488  
1 1 1 -24 24  14 o 63.366  3.6366  2208.61    248.542  2080.96    282.513  2645.69    522.772  61.318  4.2807  67.918  7.2171  -6.600487      8.391090  
1 1 1 -24 24  15 o 51.086  4.3121  1449.93    236.366  1441.56    272.152  1475.60    476.856  50.712  5.0208  49.454  9.2425  1.258526       10.51815  
1 1 1 -24 24  16 o 41.685  5.1945  982.927    229.442  953.679    266.465  1066.79    451.203  40.676  6.2481  41.315  10.155  -0.6394424     11.92320  
1 1 1 -24 24  17 o 37.456  1.8573  762.898    75.350   673.889    276.704  770.027    78.309   33.483  7.7785  37.575  1.9307  -4.092319      8.014491  
1 1 1 -24 24  18 o 34.827  5.8263  703.058    212.013  750.821    242.961  550.581    434.101  35.744  6.5158  30.264  10.659  5.479471       12.49267  
1 1 1 -24 24  19 o 17.670  7.2575  88.023     222.724  -16.8984   265.345  338.223    409.755  17.083  7.4896  25.863  10.104  -8.780258      12.57712  
1 1 1 -24 24  20 o 17.284  7.3093  58.678     235.774  4.5893     287.067  170.794    413.299  17.813  7.8003  22.879  9.6766  -5.065817      12.42904  
1 1 1 -24 24  21 o 49.178  2.1913  1324.90    116.722  1110.14    367.185  1349.04    123.108  41.354  8.4824  49.598  2.2917  -8.244183      8.786525  
1 1 1 -24 24  22 o 33.295  6.2610  676.926    217.495  893.410    326.805  504.806    291.400  36.855  8.3769  27.531  8.7172  9.324270       12.08978  
1 1 1 -24 24  23 o 32.993  9.5385  774.025    360.135  774.025    360.135  0.0000     0.0000   32.993  9.5385  ?       ?       0.000000       9.538517  
1 1 1 -24 24  24 o 17.737  8.1144  -64.1441   349.740  -64.1441   349.740  0.0000     0.0000   17.737  8.1144  ?       ?       0.000000       8.114442  
1 1 1 -24 24  25 o 17.006  7.9868  -171.0645  374.296  -171.0645  374.296  0.0000     0.0000   17.006  7.9868  ?       ?       0.000000       7.986773  
1 1 1 -24 24  26 o 19.209  8.7664  7.8870     405.030  7.8870     405.030  0.0000     0.0000   19.209  8.7664  ?       ?       0.000000       8.766420  
1 1 1 -24 25  1  o 111.602 3.0954  6783.31    374.164  7045.93    425.886  5894.80    783.358  113.662 3.4595  102.591 7.0934  11.07101       7.892041  
1 1 1 -24 25  2  o 50.983  2.3731  1412.27    131.044  1624.25    224.042  1302.03    161.563  54.401  3.8267  48.803  3.0722  5.597984       4.907332  
1 1 1 -24 25  3  o 105.645 3.6505  6091.46    417.704  6220.83    502.928  5803.79    749.981  106.586 4.3565  101.925 6.8332  4.660629       8.103769  
1 1 1 -24 25  4  o 38.682  5.5212  840.600    224.757  880.791    258.400  715.692    455.531  39.422  6.2611  35.011  10.872  4.410770       12.54587  
1 1 1 -24 25  5  f 30.967  5.3955  542.984    174.390  539.616    190.743  560.136    430.476  30.745  5.9430  31.700  10.633  -0.9546280     12.18139  
1 1 1 -24 25  6  o 14.124  5.9819  10.168     158.285  32.877     172.743  -108.7131  395.233  15.215  6.3333  20.241  8.9952  -5.026146      11.00112  
1 1 1 -24 25  7  o 30.213  5.3801  517.698    169.606  456.098    185.439  832.910    419.480  28.147  6.2460  37.375  10.116  -9.227797      11.88857  
1 1 1 -24 25  8  o 97.083  3.1230  5136.60    328.381  5025.14    372.340  5526.81    696.658  95.928  3.5837  99.466  6.5024  -3.538101      7.424537  
1 1 1 -24 25  9  o 152.135 4.7667  12728.24   785.446  12728.24   785.446  0.0000     0.0000   152.135 4.7667  ?       ?       0.000000       4.766690  
1 1 1 -24 25  10 o 74.755  4.1262  3072.15    332.791  3072.15    332.791  0.0000     0.0000   74.755  4.1262  ?       ?       0.000000       4.126161  
1 1 1 -24 25  11 o 80.627  4.2885  3579.80    373.162  3579.80    373.162  0.0000     0.0000   80.627  4.2885  ?       ?       0.000000       4.288543  
1 1 1 -24 25  12 o 35.794  6.0997  733.073    227.999  733.073    227.999  0.0000     0.0000   35.794  6.0997  ?       ?       0.000000       6.099707  
1 1 1 -24 25  13 f 113.648 3.2372  7060.02    398.480  7332.29    456.270  6184.81    818.057  115.676 3.6417  104.202 7.2943  11.47429       8.152871  
1 1 1 -24 25  14 o 47.869  2.1331  1246.37    110.596  1112.70    261.210  1275.57    122.079  44.361  5.5585  48.407  2.3284  -4.045429      6.026470  
1 1 1 -24 25  15 o 18.070  6.6748  151.327    172.733  123.777    199.170  234.933    346.962  18.057  7.0472  23.732  9.2903  -5.674797      11.66074  
1 1 1 -24 25  16 o 38.077  5.0138  820.037    201.746  753.547    237.480  992.464    382.427  36.039  6.3140  40.337  8.9838  -4.297424      10.98073  
1 1 1 -24 25  17 o 77.112  3.3570  3264.18    280.377  3126.30    321.023  3707.59    575.688  75.171  3.9568  80.370  6.6738  -5.198410      7.758597  
1 1 1 -24 25  18 o 93.575  3.3367  4815.75    338.179  4931.71    393.335  4487.07    662.222  94.458  3.8446  87.827  7.0202  6.631088       8.004066  
1 1 1 -24 25  19 o 44.249  2.2914  1072.45    109.443  1194.81    275.997  1049.62    119.216  45.437  5.7360  43.720  2.5284  1.716785       6.268521  
1 1 1 -24 25  20 o 41.925  5.6908  1030.39    251.738  1135.14    301.169  787.495    458.598  43.495  6.6002  33.568  10.965  9.926762       12.79785  
1 1 1 -24 25  21 o 33.048  6.5815  670.620    227.301  759.581    346.332  603.306    301.264  33.466  9.2474  30.130  8.7280  3.336502       12.71581  
1 1 1 -24 25  22 f 16.764  7.1938  47.798     234.265  189.549    306.333  -151.8771  363.573  20.815  8.5259  17.507  8.1038  3.308224       11.76274  
1 1 1 -24 25  23 o 21.960  9.1544  223.523    361.665  223.523    361.665  0.0000     0.0000   21.960  9.1544  ?       ?       0.000000       9.154361  
1 1 1 -24 25  24 o 36.352  11.193  1066.32    484.030  1066.32    484.030  0.0000     0.0000   36.352  11.193  ?       ?       0.000000       11.19335  
1 1 1 -24 25  25 o 31.227  10.275  772.665    402.432  772.665    402.432  0.0000     0.0000   31.227  10.275  ?       ?       0.000000       10.27472  
1 1 1 -24 25  26 o 19.078  8.6436  26.622     384.858  26.622     384.858  0.0000     0.0000   19.078  8.6436  ?       ?       0.000000       8.643608  
1 1 1 -24 26  1  o 56.772  3.4809  1764.77    213.009  1791.52    237.277  1653.73    483.496  57.132  3.8571  53.473  8.6429  3.658642       9.464521  
1 1 1 -24 26  2  f 64.994  3.1854  2301.61    224.235  2307.64    248.666  2275.37    518.755  64.937  3.5490  63.273  7.7304  1.663895       8.506144  
1 1 1 -24 26  3  o 126.049 3.6980  8675.38    504.869  8791.83    607.947  8416.59    906.255  126.667 4.4313  122.770 6.8426  3.897018       8.152116  
1 1 1 -24 26  4  o 67.145  3.8434  2471.26    278.351  2353.15    324.760  2798.20    540.323  65.339  4.6188  70.457  7.1808  -5.117729      8.537953  
1 1 1 -24 26  5  o 82.669  3.1301  3723.42    280.271  3744.51    315.709  3644.98    608.853  82.837  3.5188  80.536  7.0510  2.301674       7.880262  
1 1 1 -24 26  6  o 48.609  3.6682  1297.53    191.702  1267.77    210.910  1438.97    459.777  47.962  4.0994  49.690  8.8682  -1.728485      9.769909  
1 1 1 -24 26  7  o 35.347  1.8044  679.805    68.852   641.817    189.460  685.586    73.905   33.722  5.3671  35.486  1.9301  -1.763596      5.703570  
1 1 1 -24 26  8  o 144.984 4.6221  11544.92   725.821  11544.92   725.821  0.0000     0.0000   144.984 4.6221  ?       ?       0.000000       4.622103  
1 1 1 -24 26  9  o 24.784  7.0318  353.375    197.499  353.375    197.499  0.0000     0.0000   24.784  7.0318  ?       ?       0.000000       7.031761  
1 1 1 -24 26  10 o 55.767  4.9763  1727.48    297.421  1727.48    297.421  0.0000     0.0000   55.767  4.9763  ?       ?       0.000000       4.976313  
1 1 1 -24 26  11 f 26.109  7.5433  394.957    225.299  394.957    225.299  0.0000     0.0000   26.109  7.5433  ?       ?       0.000000       7.543330  
1 1 1 -24 26  12 f 88.424  2.8831  4263.66    276.117  4260.63    361.871  4267.88    427.184  88.172  3.7893  87.924  4.5009  0.2477036      5.883567  
1 1 1 -24 26  13 o 98.966  3.2443  5354.82    347.758  5347.98    397.801  5376.97    716.195  98.756  3.7191  97.389  6.8330  1.366562       7.779523  
1 1 1 -24 26  14 o 37.674  5.0613  800.703    201.304  914.659    236.559  501.551    383.279  40.142  5.5929  29.555  10.033  10.58694       11.48648  
1 1 1 -24 26  15 o 41.037  4.5057  942.091    196.972  1027.71    227.608  686.721    393.090  42.726  5.0137  33.453  10.044  9.273495       11.22578  
1 1 1 -24 26  16 o 60.766  3.5929  2035.91    235.419  1952.40    274.072  2270.93    459.775  59.275  4.2982  62.772  6.8750  -3.496429      8.108000  
1 1 1 -24 26  17 o 58.295  3.7778  1880.32    237.246  1752.48    273.353  2270.62    477.623  56.003  4.5458  62.449  7.1929  -6.445805      8.508909  
1 1 1 -24 26  18 o 57.275  3.9830  1824.87    245.545  1496.79    304.597  2433.74    414.957  51.183  5.5851  65.185  5.9427  -14.00159      8.155348  
1 1 1 -24 26  19 o 33.734  7.0630  689.766    249.789  450.341    301.867  1209.75    444.863  27.038  8.8989  43.187  9.7424  -16.14888      13.19490  
1 1 1 -24 26  20 o 26.112  7.6975  428.127    232.508  375.764    275.533  557.627    433.310  24.748  8.5050  29.130  10.601  -4.382088      13.59119  
1 1 1 -24 26  21 o 20.570  7.5691  235.024    221.765  455.507    334.480  62.078     296.236  26.493  9.3534  18.652  8.0475  7.840569       12.33893  
1 1 1 -24 26  22 f 14.066  6.5258  -142.3094  237.734  -96.7985   324.442  -195.0772  349.353  17.118  7.8252  16.717  7.8076  0.4003334      11.05407  
1 1 1 -24 26  23 o 31.158  9.7217  700.750    363.756  700.750    363.756  0.0000     0.0000   31.158  9.7217  ?       ?       0.000000       9.721701  
1 1 1 -24 26  24 o 15.979  7.6635  -334.9982  381.997  -334.9982  381.997  0.0000     0.0000   15.979  7.6635  ?       ?       0.000000       7.663527  
1 1 1 -24 26  25 o 24.200  9.8912  388.221    411.198  388.221    411.198  0.0000     0.0000   24.200  9.8912  ?       ?       0.000000       9.891221  
1 1 1 -24 27  1  o 51.515  3.6932  1456.55    204.699  1549.11    227.281  1058.96    471.039  53.078  3.9825  42.046  10.401  11.03234       11.13717  
1 1 1 -24 27  2  o 21.120  6.6356  246.342    169.138  262.598    184.649  161.593    421.599  21.842  6.9416  24.529  10.019  -2.686325      12.18910  
1 1 1 -24 27  3  o 24.525  6.5779  345.863    178.332  293.504    196.041  597.018    429.361  22.939  7.1336  32.418  10.610  -9.478745      12.78543  
1 1 1 -24 27  4  o 15.162  6.4338  10.658     183.660  16.595     204.469  -14.1363   417.851  16.068  6.8016  22.000  9.5246  -5.932013      11.70383  
1 1 1 -24 27  5  o 94.486  3.7519  4877.32    383.964  5064.16    464.697  4475.28    681.659  96.104  4.4643  89.248  7.1108  6.856010       8.396037  
1 1 1 -24 27  6  o 83.262  3.0917  3777.13    278.812  3762.01    313.186  3834.90    612.120  83.027  3.4827  82.647  6.9013  0.3806915      7.730288  
1 1 1 -24 27  7  o 83.384  4.0267  3805.10    363.665  3805.10    363.665  0.0000     0.0000   83.384  4.0267  ?       ?       0.000000       4.026689  
1 1 1 -24 27  8  o 77.529  4.2023  3303.28    351.558  3303.28    351.558  0.0000     0.0000   77.529  4.2023  ?       ?       0.000000       4.202287  
1 1 1 -24 27  9  o 98.389  4.2219  5308.30    449.908  5308.30    449.908  0.0000     0.0000   98.389  4.2219  ?       ?       0.000000       4.221894  
1 1 1 -24 27  10 o 108.308 3.6648  6416.75    429.914  6416.75    429.914  0.0000     0.0000   108.308 3.6648  ?       ?       0.000000       3.664793  
1 1 1 -24 27  11 o 87.153  2.6880  4137.17    253.738  3702.19    333.814  4732.43    390.496  82.222  3.7484  92.925  3.8799  -10.70231      5.394783  
1 1 1 -24 27  12 o 59.771  3.6672  1964.10    236.260  1987.92    263.755  1867.38    531.455  60.028  4.0810  56.234  9.0314  3.794163       9.910616  
1 1 1 -24 27  13 o 98.439  3.1552  5295.97    336.407  5042.52    391.259  6014.58    658.823  95.869  3.7680  103.587 5.8965  -7.717224      6.997644  
1 1 1 -24 27  14 o 63.641  3.4419  2225.31    236.367  2073.14    273.513  2674.19    469.759  61.219  4.1495  68.637  6.3925  -7.417599      7.621164  
1 1 1 -24 27  15 o 31.705  6.0306  582.495    199.522  475.162    236.288  849.169    372.446  28.257  7.5686  37.218  9.2732  -8.960644      11.96983  
1 1 1 -24 27  16 o 73.970  3.3695  3001.79    269.951  3091.27    317.105  2766.24    514.501  74.794  3.9282  69.283  6.9499  5.510536       7.983238  
1 1 1 -24 27  17 o 66.135  3.6951  2416.89    263.630  2418.61    314.255  2412.79    484.366  65.874  4.4303  64.430  7.0562  1.443680       8.331721  
1 1 1 -24 27  18 f 26.037  7.0398  407.346    203.290  427.432    230.803  337.845    429.331  26.585  7.6216  26.302  10.323  0.2827759      12.83204  
1 1 1 -24 27  19 o 26.422  7.6321  430.081    230.656  405.841    273.461  489.844    429.385  25.786  8.4691  28.418  10.519  -2.632229      13.50429  
1 1 1 -24 27  20 o 26.190  7.9441  434.244    244.985  482.018    296.398  331.233    435.236  27.329  8.8064  25.258  10.231  2.070192       13.49947  
1 1 1 -24 27  21 o 41.129  5.4980  996.969    238.792  866.191    354.933  1105.11    322.762  35.867  9.1169  42.084  7.3484  -6.216633      11.70967  
1 1 1 -24 27  22 o 51.432  5.1865  1548.18    284.974  1741.60    354.270  1193.58    479.682  53.750  6.1989  40.248  10.785  13.50267       12.43983  
1 1 1 -24 27  23 o 50.905  8.0509  1692.90    429.127  1692.90    429.127  0.0000     0.0000   50.905  8.0509  ?       ?       0.000000       8.050902  
1 1 1 -24 27  24 o 63.469  6.7883  2530.62    459.411  2530.62    459.411  0.0000     0.0000   63.469  6.7883  ?       ?       0.000000       6.788270  
1 1 1 -24 27  25 o 20.313  8.9589  124.268    384.837  124.268    384.837  0.0000     0.0000   20.313  8.9589  ?       ?       0.000000       8.958852  
1 1 1 -24 28  1  o 88.548  3.0487  4271.02    292.395  4298.25    329.343  4169.70    635.359  88.762  3.4257  86.231  6.8595  2.531258       7.667348  
1 1 1 -24 28  2  o 116.566 3.0554  7401.36    385.758  7706.25    446.017  6496.16    768.515  118.844 3.4650  107.874 6.6094  10.96978       7.462622  
1 1 1 -24 28  3  o 64.330  3.3009  2262.17    229.217  2287.88    254.828  2153.22    524.613  64.628  3.6555  61.351  8.0924  3.276569       8.879720  
1 1 1 -24 28  4  o 99.761  3.5699  5432.79    385.737  5516.41    458.857  5231.33    712.238  100.368 4.2210  96.651  6.8481  3.716270       8.044425  
1 1 1 -24 28  5  o 113.344 3.7147  7018.19    456.034  7065.87    553.529  6917.47    804.599  113.498 4.5028  111.258 6.7083  2.240028       8.079404  
1 1 1 -24 28  6  o 75.000  4.4570  3095.72    360.429  3095.72    360.429  0.0000     0.0000   75.000  4.4570  ?       ?       0.000000       4.457000  
1 1 1 -24 28  7  o 51.802  4.7958  1487.36    266.022  1487.36    266.022  0.0000     0.0000   51.802  4.7958  ?       ?       0.000000       4.795780  
1 1 1 -24 28  8  o 60.390  4.4264  2011.91    287.504  2011.91    287.504  0.0000     0.0000   60.390  4.4264  ?       ?       0.000000       4.426369  
1 1 1 -24 28  9  o 36.041  5.1473  730.389    195.222  730.389    195.222  0.0000     0.0000   36.041  5.1473  ?       ?       0.000000       5.147268  
1 1 1 -24 28  10 o 20.897  1.2907  237.697    29.070   -110.0121  182.149  246.785    29.448   12.906  5.8857  21.295  1.2827  -8.388953      6.023854  
1 1 1 -24 28  11 f 57.870  3.6682  1840.55    228.732  1883.22    254.109  1658.31    525.084  58.450  4.0387  52.772  9.5377  5.678379       10.35755  
1 1 1 -24 28  12 o 67.212  3.3459  2470.44    243.577  2575.77    281.914  2160.25    483.798  68.427  3.8190  61.309  7.4380  7.118359       8.361112  
1 1 1 -24 28  13 o 67.379  3.3275  2484.07    242.834  2474.37    280.098  2513.43    487.250  67.018  3.8753  66.365  6.8785  0.6529770      7.895067  
1 1 1 -24 28  14 o 71.985  3.4328  2839.75    267.651  2672.63    314.945  3274.25    507.826  69.511  4.2030  76.058  6.2189  -6.546501      7.506006  
1 1 1 -24 28  15 o 14.825  6.2383  25.905     170.356  21.281     196.125  40.113     343.811  15.683  6.6513  20.427  8.7388  -4.744211      10.98208  
1 1 1 -24 28  16 o 29.383  6.5312  508.032    202.464  551.224    241.598  406.149    371.063  30.382  7.4085  27.238  9.8259  3.144255       12.30584  
1 1 1 -24 28  17 o 39.309  1.6528  839.785    70.368   533.503    232.029  870.808    73.846   29.824  7.2530  40.024  1.7035  -10.20039      7.450340  
1 1 1 -24 28  18 o 32.449  6.1561  619.723    208.447  487.579    236.249  1084.12    442.888  28.292  7.5638  40.995  10.052  -12.70291      12.57969  
1 1 1 -24 28  19 o 35.441  5.8928  739.615    218.261  717.347    250.068  810.827    447.197  34.380  6.9544  34.515  10.781  -0.1341286     12.82926  
1 1 1 -24 28  20 o 25.640  7.8231  415.579    237.075  500.378    281.458  208.484    439.850  27.778  8.5326  23.499  9.9632  4.279669       13.11752  
1 1 1 -24 28  21 o 18.418  1.4447  185.773    28.589   -85.0373   269.180  188.863    28.752   15.840  7.1970  18.572  1.4406  -2.731820      7.339752  
1 1 1 -24 28  22 o 18.913  8.4198  12.362     347.815  12.362     347.815  0.0000     0.0000   18.913  8.4198  ?       ?       0.000000       8.419800  
1 1 1 -24 28  23 o 25.427  10.346  411.029    447.314  411.029    447.314  0.0000     0.0000   25.427  10.346  ?       ?       0.000000       10.34585  
1 1 1 -24 28  24 o 19.240  8.7136  6.7153     390.698  6.7153     390.698  0.0000     0.0000   19.240  8.7136  ?       ?       0.000000       8.713602  
1 1 1 -24 28  25 o 17.197  8.0398  -144.7196  371.956  -144.7196  371.956  0.0000     0.0000   17.197  8.0398  ?       ?       0.000000       8.039823  
1 1 1 -24 29  1  o 83.405  3.0960  3790.33    279.678  3953.14    315.573  3194.31    603.798  85.120  3.4229  75.123  7.5218  9.997322       8.264049  
1 1 1 -24 29  2  o 22.965  6.4876  301.233    168.487  316.928    183.202  215.141    429.070  23.571  6.7999  25.478  10.215  -1.906689      12.27153  
1 1 1 -24 29  3  o 73.780  2.6848  2961.39    214.548  3273.05    291.399  2592.44    317.056  77.447  3.4739  68.662  4.2847  8.785103       5.516062  
1 1 1 -24 29  4  o 16.601  6.4533  98.995     166.512  62.175     181.159  299.464    422.710  16.188  6.5849  26.724  10.312  -10.53640      12.23491  
1 1 1 -24 29  5  o 109.089 6.4215  6636.58    755.383  6636.58    755.383  0.0000     0.0000   109.089 6.4215  ?       ?       0.000000       6.421474  
1 1 1 -24 29  6  o 85.304  4.3342  3999.28    399.130  3999.28    399.130  0.0000     0.0000   85.304  4.3342  ?       ?       0.000000       4.334170  
1 1 1 -24 29  7  o 43.178  5.7119  1048.53    260.568  1048.53    260.568  0.0000     0.0000   43.178  5.7119  ?       ?       0.000000       5.711948  
1 1 1 -24 29  8  o 24.133  7.9820  318.003    242.758  318.003    242.758  0.0000     0.0000   24.133  7.9820  ?       ?       0.000000       7.982049  
1 1 1 -24 29  9  o 30.245  6.5335  529.413    207.775  519.185    232.607  569.789    462.163  29.814  7.2690  31.916  11.012  -2.102846      13.19506  
1 1 1 -24 29  10 o 60.611  3.5836  2016.28    234.212  2016.25    260.966  2016.39    531.029  60.512  4.0044  58.843  8.5849  1.669174       9.472879  
1 1 1 -24 29  11 o 110.102 3.1255  6618.12    372.717  6547.69    430.818  6827.68    743.157  109.359 3.6372  110.355 6.2431  -0.9959335     7.225368  
1 1 1 -24 29  12 o 77.249  2.7485  3253.47    229.966  2990.14    324.355  3519.64    326.094  73.651  4.0820  80.113  3.7581  -6.461670      5.548512  
1 1 1 -24 29  13 o 71.371  3.3304  2787.70    257.447  2628.53    298.804  3246.26    507.184  69.030  4.0138  75.808  6.2322  -6.777977      7.412919  
1 1 1 -24 29  14 o 33.638  5.5814  647.576    196.223  653.839    229.046  630.302    380.404  33.498  6.5477  32.241  9.9224  1.256695       11.88806  
1 1 1 -24 29  15 o 60.927  2.4982  2024.19    164.857  2066.56    271.298  1999.39    207.577  61.070  4.1258  60.342  3.1874  0.7278900      5.213586  
1 1 1 -24 29  16 o 18.695  6.9501  162.497    187.869  214.790    221.406  28.029     355.037  20.779  7.5755  20.471  8.8211  0.3084927      11.62758  
1 1 1 -24 29  17 o 26.798  6.6125  427.000    190.750  392.756    222.849  520.852    368.926  25.651  7.5286  29.362  9.8439  -3.710596      12.39278  
1 1 1 -24 29  18 o 65.339  3.8850  2374.63    273.698  2379.35    323.090  2362.62    515.061  65.055  4.6153  62.823  7.7328  2.231632       9.005413  
1 1 1 -24 29  19 o 40.159  1.8427  879.153    80.150   673.027    274.830  898.315    83.793   32.779  7.8455  40.585  1.9062  -7.805939      8.073730  
1 1 1 -24 29  20 o 18.043  7.3266  120.931    223.759  -17.4474   262.717  486.504    427.013  16.661  7.3724  27.583  10.432  -10.92231      12.77394  
1 1 1 -24 29  21 o 17.490  7.6433  22.915     274.399  -146.4630  358.704  261.858    426.045  17.526  8.0903  23.786  9.9274  -6.259928      12.80654  
1 1 1 -24 29  22 o 23.056  9.4013  276.466    370.381  276.466    370.381  0.0000     0.0000   23.056  9.4013  ?       ?       0.000000       9.401333  
1 1 1 -24 29  23 o 16.135  7.6396  -250.9274  355.282  -250.9274  355.282  0.0000     0.0000   16.135  7.6396  ?       ?       0.000000       7.639648  
1 1 1 -24 29  24 o 34.696  10.087  915.645    401.750  915.645    401.750  0.0000     0.0000   34.696  10.087  ?       ?       0.000000       10.08713  
1 1 1 -24 29  25 o 19.471  8.9789  -36.0805   440.114  -36.0805   440.114  0.0000     0.0000   19.471  8.9789  ?       ?       0.000000       8.978929  
1 1 1 -24 30  1  o 84.110  3.0181  3853.84    274.949  4012.52    316.323  3363.49    556.065  85.756  3.4056  77.429  6.6965  8.327217       7.512792  
1 1 1 -24 30  2  o 126.175 3.1961  8678.25    436.782  8778.33    495.117  8327.01    927.519  126.788 3.6055  121.879 7.0565  4.908821       7.924197  
1 1 1 -24 30  3  o 68.121  3.3247  2530.93    245.303  2416.87    270.365  3062.01    583.389  66.397  3.7751  73.570  7.4228  -7.172806      8.327642  
1 1 1 -24 30  4  o 41.932  5.5261  986.683    244.866  986.683    244.866  0.0000     0.0000   41.932  5.5261  ?       ?       0.000000       5.526093  
1 1 1 -24 30  5  o 40.993  8.0619  978.057    345.189  978.057    345.189  0.0000     0.0000   40.993  8.0619  ?       ?       0.000000       8.061920  
1 1 1 -24 30  6  o 39.251  6.3171  876.336    259.444  876.336    259.444  0.0000     0.0000   39.251  6.3171  ?       ?       0.000000       6.317107  
1 1 1 -24 30  7  o 30.160  6.8367  527.535    218.176  527.535    218.176  0.0000     0.0000   30.160  6.8367  ?       ?       0.000000       6.836740  
1 1 1 -24 30  8  o 38.300  5.2307  823.972    211.308  879.035    236.161  602.891    473.210  39.456  5.6906  32.668  11.148  6.788738       12.51616  
1 1 1 -24 30  9  o 87.259  3.1820  4155.04    300.734  4098.96    338.431  4365.54    655.683  86.574  3.6092  87.954  6.9392  -1.379883      7.821682  
1 1 1 -24 30  10 o 34.349  5.4005  668.425    194.288  671.493    226.744  659.951    376.854  34.163  6.3620  33.256  9.7987  0.9069862      11.68291  
1 1 1 -24 30  11 o 33.462  4.8610  630.588    171.021  619.727    191.933  672.440    376.762  32.977  5.5722  33.461  9.7801  -0.4837761     11.25609  
1 1 1 -24 30  12 o 15.386  6.3113  51.759     168.165  126.571    192.410  -190.2512  346.066  17.996  6.9534  17.686  8.0837  0.3101082      10.66282  
1 1 1 -24 30  13 o 19.876  6.9032  205.466    181.751  313.134    212.036  -92.7726   352.898  23.483  7.4360  18.985  8.4643  4.498083       11.26672  
1 1 1 -24 30  14 o 38.968  4.6681  852.306    193.103  1005.78    222.197  378.657    390.341  42.290  4.9443  27.075  10.027  15.21530       11.18018  
1 1 1 -24 30  15 o 46.764  4.4037  1219.93    220.419  1432.61    260.872  689.203    412.096  50.568  4.8214  33.416  10.335  17.15228       11.40398  
1 1 1 -24 30  16 o 22.957  1.4333  287.226    35.461   241.440    225.681  288.385    35.908   21.523  7.6740  23.002  1.4487  -1.478691      7.809547  
1 1 1 -24 30  17 o 43.727  4.8491  1080.70    225.790  1128.78    270.027  968.935    411.678  44.334  5.7595  39.109  9.7522  5.225170       11.32593  
1 1 1 -24 30  18 o 73.278  2.7819  2945.05    220.792  2798.41    329.253  3064.87    297.631  70.684  4.3214  74.397  3.6936  -3.712463      5.684850  
1 1 1 -24 30  19 o 48.531  4.7508  1344.45    246.521  1244.18    286.601  1629.64    483.345  46.058  5.8793  50.266  9.2176  -4.207767      10.93300  
1 1 1 -24 30  20 o 52.744  4.8100  1599.31    271.762  1594.09    324.535  1611.57    497.177  51.940  5.8719  48.941  9.7220  2.999680       11.35772  
1 1 1 -24 30  21 o 18.423  7.7902  91.738     267.770  73.192     341.921  121.151    430.602  19.749  8.5830  21.973  9.5893  -2.223259      12.86945  
1 1 1 -24 30  22 o 20.515  8.8607  118.488    359.907  118.488    359.907  0.0000     0.0000   20.515  8.8607  ?       ?       0.000000       8.860664  
1 1 1 -24 30  23 o 31.561  10.341  754.441    407.784  754.441    407.784  0.0000     0.0000   31.561  10.341  ?       ?       0.000000       10.34081  
1 1 1 -24 30  24 o 17.050  7.9793  -161.4623  367.995  -161.4623  367.995  0.0000     0.0000   17.050  7.9793  ?       ?       0.000000       7.979302  
1 1 1 -24 30  25 o 24.116  10.205  361.035    460.034  361.035    460.034  0.0000     0.0000   24.116  10.205  ?       ?       0.000000       10.20510  
1 1 1 -24 31  1  o 85.909  3.1206  4022.59    290.367  4057.13    322.413  3874.30    668.070  86.215  3.4527  82.737  7.5377  3.477654       8.290884  
1 1 1 -24 31  2  o 164.921 3.6386  14857.74   649.946  15080.58   719.761  13873.36   1512.79  166.003 4.0032  155.741 9.0066  10.26147       9.856196  
1 1 1 -24 31  3  o 132.663 3.7713  9620.06    541.893  9769.33    646.332  9266.84    994.233  133.438 4.4720  128.479 7.1734  4.958939       8.453183  
1 1 1 -24 31  4  o 86.643  4.1724  4112.27    391.550  4112.27    391.550  0.0000     0.0000   86.643  4.1724  ?       ?       0.000000       4.172355  
1 1 1 -24 31  5  o 98.448  5.9282  5390.34    629.167  5390.34    629.167  0.0000     0.0000   98.448  5.9282  ?       ?       0.000000       5.928164  
1 1 1 -24 31  6  o 117.284 4.7550  7564.82    604.027  7564.82    604.027  0.0000     0.0000   117.284 4.7550  ?       ?       0.000000       4.754961  
1 1 1 -24 31  7  o 99.195  3.1136  5365.04    334.517  5528.26    380.745  4812.65    700.439  100.604 3.4942  92.426  7.0501  8.177933       7.868466  
1 1 1 -24 31  8  o 77.249  2.6924  3248.98    225.268  3268.95    300.922  3223.53    339.755  77.326  3.5930  76.569  4.1118  0.7568436      5.460506  
1 1 1 -24 31  9  o 39.819  4.9002  886.946    206.877  884.179    243.647  894.096    391.626  39.488  5.8758  38.602  9.4443  0.8856392      11.12293  
1 1 1 -24 31  10 o 49.663  4.1822  1363.87    222.869  1429.39    263.620  1199.72    417.277  50.671  4.8632  44.981  8.8801  5.689617       10.12455  
1 1 1 -24 31  11 o 37.967  5.2924  813.815    211.714  932.073    253.814  543.361    383.837  40.470  5.9698  30.588  10.033  9.881922       11.67481  
1 1 1 -24 31  12 o 21.377  7.1570  247.887    195.013  224.045    233.472  302.909    354.676  21.398  7.7825  25.271  9.5189  -3.873091      12.29541  
1 1 1 -24 31  13 o 63.275  3.5170  2201.32    240.081  2393.56    278.559  1646.08    473.406  65.869  3.9222  52.705  8.5889  13.16447       9.442058  
1 1 1 -24 31  14 o 77.530  3.3401  3294.11    280.474  3175.21    328.637  3612.96    538.155  75.818  4.0163  79.797  6.2773  -3.978600      7.452169  
1 1 1 -24 31  15 o 49.825  4.1410  1379.23    221.447  1483.34    259.939  1103.68    422.872  51.496  4.7127  42.364  9.4556  9.131985       10.56494  
1 1 1 -24 31  16 o 56.275  3.9573  1756.44    239.669  1909.97    283.726  1374.01    447.803  58.490  4.5135  47.425  9.0480  11.06545       10.11131  
1 1 1 -24 31  17 o 85.233  3.2458  3993.11    299.636  4085.06    348.807  3734.18    585.314  85.999  3.7447  80.212  6.8013  5.787209       7.764052  
1 1 1 -24 31  18 o 55.071  4.0940  1698.25    242.450  1674.24    288.739  1755.63    446.441  54.263  4.9680  53.733  7.9075  0.5301819      9.338624  
1 1 1 -24 31  19 o 13.341  6.1022  -101.3004  197.661  -100.9279  224.272  -102.5967  418.357  14.326  6.5321  19.639  8.9421  -5.313755      11.07384  
1 1 1 -24 31  20 o 16.253  7.0246  24.604     226.511  -94.8711   268.693  318.056    421.101  15.748  7.1689  24.710  10.044  -8.961766      12.34025  
1 1 1 -24 31  21 o 35.903  7.4681  817.644    280.950  643.372    353.066  1118.50    463.894  30.483  9.5887  39.298  10.638  -8.815409      14.32185  
1 1 1 -24 31  22 o 43.776  9.0551  1301.18    415.171  1301.18    415.171  0.0000     0.0000   43.776  9.0551  ?       ?       0.000000       9.055084  
1 1 1 -24 31  23 o 29.390  10.059  641.695    385.337  641.695    385.337  0.0000     0.0000   29.390  10.059  ?       ?       0.000000       10.05940  
1 1 1 -24 31  24 o 18.393  8.7046  -214.5031  460.034  -214.5031  460.034  0.0000     0.0000   18.393  8.7046  ?       ?       0.000000       8.704617  
1 1 1 -24 31  25 o 27.404  10.937  592.713    489.384  592.713    489.384  0.0000     0.0000   27.404  10.937  ?       ?       0.000000       10.93685  
1 1 1 -24 32  1  o 10.035  2.4896  56.930     26.931   57.265     26.972   -51.3628   484.725  10.064  2.4884  23.112  10.128  -13.04820      10.42927  
1 1 1 -24 32  2  o 51.299  4.2858  1452.35    235.945  1501.01    263.473  1255.34    530.178  52.054  4.7246  45.535  10.896  6.518925       11.87596  
1 1 1 -24 32  3  o 46.042  5.3533  1184.83    261.975  1184.83    261.975  0.0000     0.0000   46.042  5.3533  ?       ?       0.000000       5.353262  
1 1 1 -24 32  4  o 31.039  6.6930  556.858    218.388  556.858    218.388  0.0000     0.0000   31.039  6.6930  ?       ?       0.000000       6.693029  
1 1 1 -24 32  5  o 36.035  8.4257  764.667    322.971  764.667    322.971  0.0000     0.0000   36.035  8.4257  ?       ?       0.000000       8.425657  
1 1 1 -24 32  6  o 63.628  4.4820  2233.75    306.906  2363.42    370.794  1951.66    546.901  65.225  5.2944  57.842  9.0242  7.382542       10.46258  
1 1 1 -24 32  7  o 50.418  4.2174  1403.72    228.188  1297.93    255.924  1813.98    503.974  48.285  4.9643  55.848  8.6082  -7.563519      9.937069  
1 1 1 -24 32  8  o 17.477  6.7417  117.187    180.645  185.264    211.302  -67.6936   348.216  20.042  7.3864  19.321  8.5215  0.7218037      11.27714  
1 1 1 -24 32  9  o 41.566  1.8274  938.127    82.270   775.056    222.943  963.834    88.518   36.946  5.7591  42.125  1.9401  -5.178772      6.077085  
1 1 1 -24 32  10 f 60.426  3.4748  2003.74    226.458  2059.55    260.310  1830.05    459.227  61.148  3.9516  56.294  7.7362  4.853451       8.686978  
1 1 1 -24 32  11 o 29.242  6.5874  498.630    203.628  567.389    243.593  339.117    371.023  31.044  7.3572  26.264  9.7664  4.779749       12.22751  
1 1 1 -24 32  12 o 54.683  2.4443  1628.48    144.772  1694.82    262.460  1599.46    173.565  55.270  4.4214  54.041  2.9768  1.228619       5.330064  
1 1 1 -24 32  13 o 43.205  4.9728  1048.78    228.461  1127.61    275.820  876.493    407.758  44.519  5.8627  37.715  9.8681  6.803890       11.47828  
1 1 1 -24 32  14 o 32.110  2.0600  563.223    71.268   822.749    275.513  544.613    73.779   37.456  7.0500  31.558  2.1717  5.897707       7.376956  
1 1 1 -24 32  15 o 58.880  3.8754  1917.49    245.764  1774.80    290.482  2276.92    461.017  56.319  4.8081  62.849  6.8852  -6.529449      8.397846  
1 1 1 -24 32  16 o 93.124  3.1661  4756.73    319.344  4593.10    369.977  5234.87    632.419  91.278  3.7423  95.874  6.1222  -4.595695      7.175353  
1 1 1 -24 32  17 o 31.465  1.1912  537.277    40.597   173.273    220.612  550.036    41.302   19.572  7.4750  31.836  1.1978  -12.26370      7.570389  
1 1 1 -24 32  18 o 35.619  5.9048  745.492    219.824  818.997    264.896  582.909    393.960  36.888  6.8833  30.101  10.172  6.786732       12.28207  
1 1 1 -24 32  19 o 25.279  7.4349  398.608    217.133  379.480    256.667  446.753    407.207  24.743  8.2087  26.973  10.190  -2.230009      13.08531  
1 1 1 -24 32  20 o 17.652  7.1072  121.016    208.644  129.513    282.516  110.822    309.457  19.494  8.1058  19.746  8.3636  -0.2514782     11.64701  
1 1 1 -24 32  21 o 43.547  8.7181  1252.51    396.858  1252.51    396.858  0.0000     0.0000   43.547  8.7181  ?       ?       0.000000       8.718146  
1 1 1 -24 32  22 o 23.843  9.9136  299.137    422.565  299.137    422.565  0.0000     0.0000   23.843  9.9136  ?       ?       0.000000       9.913613  
1 1 1 -24 32  23 o 27.945  10.829  583.593    467.698  583.593    467.698  0.0000     0.0000   27.945  10.829  ?       ?       0.000000       10.82864  
1 1 1 -24 32  24 o 26.936  10.570  547.945    449.982  547.945    449.982  0.0000     0.0000   26.936  10.570  ?       ?       0.000000       10.56987  
1 1 1 -24 32  25 o 22.048  9.6793  203.039    444.502  203.039    444.502  0.0000     0.0000   22.048  9.6793  ?       ?       0.000000       9.679273  
1 1 1 -24 33  1  o 45.512  4.0308  1142.88    196.636  1194.18    211.683  820.052    531.042  46.482  4.2517  37.092  11.770  9.390690       12.51473  
1 1 1 -24 33  2  f 106.818 4.1268  6251.41    477.457  6251.41    477.457  0.0000     0.0000   106.818 4.1268  ?       ?       0.000000       4.126843  
1 1 1 -24 33  3  o 106.423 4.1005  6204.27    472.660  6204.27    472.660  0.0000     0.0000   106.423 4.1005  ?       ?       0.000000       4.100548  
1 1 1 -24 33  4  o 33.088  6.3034  627.873    217.651  627.873    217.651  0.0000     0.0000   33.088  6.3034  ?       ?       0.000000       6.303365  
1 1 1 -24 33  5  o 61.685  3.6166  2086.41    240.571  2185.83    269.541  1697.04    533.412  63.065  3.9663  53.642  9.5302  9.423138       10.32257  
1 1 1 -24 33  6  o 54.822  6.4399  1696.94    375.108  1812.35    547.493  1594.83    514.966  55.459  9.4535  51.929  9.5062  3.530769       13.40661  
1 1 1 -24 33  7  o 28.705  6.0218  474.397    181.245  462.598    208.650  510.672    365.848  28.190  6.8914  29.936  9.7940  -1.745512      11.97556  
1 1 1 -24 33  8  o 82.396  3.1163  3704.34    278.110  3734.33    319.516  3610.60    564.892  82.633  3.5700  80.083  6.5705  2.550255       7.477752  
1 1 1 -24 33  9  o 65.533  3.4710  2354.80    245.489  2282.27    284.893  2563.96    483.786  64.354  4.1087  67.289  6.7283  -2.934265      7.883592  
1 1 1 -24 33  10 o 23.478  6.9824  316.335    190.643  294.959    224.361  371.855    361.580  23.164  7.6742  26.808  9.6951  -3.644577      12.36482  
1 1 1 -24 33  11 o 19.727  6.8652  200.761    179.799  198.967    208.183  206.027    356.690  20.253  7.3516  23.554  9.3570  -3.301050      11.89956  
1 1 1 -24 33  12 o 81.819  3.3469  3664.38    296.597  4039.44    350.440  2717.32    556.865  85.781  3.7718  68.596  7.6241  17.18516       8.506115  
1 1 1 -24 33  13 o 91.238  3.2146  4556.41    317.668  4287.32    369.698  5315.69    621.014  88.295  3.8658  97.158  5.9298  -8.862984      7.078619  
1 1 1 -24 33  14 o 77.360  3.4836  3284.05    291.889  3302.58    346.205  3238.52    542.805  77.260  4.1525  75.229  6.7329  2.030777       7.910459  
1 1 1 -24 33  15 o 48.896  4.5441  1336.49    237.901  1475.10    286.861  1031.15    425.758  51.129  5.2548  40.701  9.7798  10.42824       11.10215  
1 1 1 -24 33  16 o 53.599  4.3511  1604.45    250.419  1350.51    301.580  2168.32    449.395  48.547  5.8535  61.056  6.9177  -12.50939      9.061893  
1 1 1 -24 33  17 o 50.103  4.9418  1422.44    264.684  1995.26    335.699  481.196    430.318  59.234  5.2881  28.678  10.545  30.55595       11.79670  
1 1 1 -24 33  18 o 57.636  4.1315  1864.88    256.198  2091.20    308.050  1357.14    461.401  60.728  4.7205  45.688  9.6278  15.04078       10.72279  
1 1 1 -24 33  19 o 23.833  1.1638  308.539    30.042   37.921     265.344  312.053    30.236   17.629  7.6110  23.968  1.1647  -6.339832      7.699651  
1 1 1 -24 33  20 o 33.959  7.7917  737.253    280.506  1092.35    354.295  140.763    459.190  41.213  8.2253  22.778  9.9226  18.43490       12.88854  
1 1 1 -24 33  21 o 22.959  10.068  155.117    479.860  155.117    479.860  0.0000     0.0000   22.959  10.068  ?       ?       0.000000       10.06843  
1 1 1 -24 33  22 o 26.644  10.347  483.350    427.739  483.350    427.739  0.0000     0.0000   26.644  10.347  ?       ?       0.000000       10.34705  
1 1 1 -24 33  23 o 45.337  10.264  1517.65    492.252  1517.65    492.252  0.0000     0.0000   45.337  10.264  ?       ?       0.000000       10.26352  
1 1 1 -24 33  24 o 30.064  11.159  746.374    483.964  746.374    483.964  0.0000     0.0000   30.064  11.159  ?       ?       0.000000       11.15928  
1 1 1 -24 34  1  o 31.769  6.0050  577.633    199.055  577.633    199.055  0.0000     0.0000   31.769  6.0050  ?       ?       0.000000       6.005047  
1 1 1 -24 34  2  o 49.594  4.5125  1361.63    239.741  1361.63    239.741  0.0000     0.0000   49.594  4.5125  ?       ?       0.000000       4.512495  
1 1 1 -24 34  3  o 62.821  4.3447  2175.38    293.803  2175.38    293.803  0.0000     0.0000   62.821  4.3447  ?       ?       0.000000       4.344691  
1 1 1 -24 34  4  o 72.658  3.1920  2879.64    251.197  2950.24    278.782  2574.96    579.174  73.490  3.5024  66.974  8.1524  6.516197       8.872941  
1 1 1 -24 34  5  o 37.400  2.2985  763.218    92.656   1028.63    217.138  704.130    102.452  42.986  4.7428  35.870  2.6559  7.115768       5.435796  
1 1 1 -24 34  6  o 44.273  4.5650  1088.70    215.763  1310.72    256.041  544.822    400.746  48.523  4.9407  30.933  10.257  17.59038       11.38478  
1 1 1 -24 34  7  o 46.833  3.8776  1209.35    194.920  1229.87    221.582  1139.15    409.863  47.114  4.3929  43.860  8.9313  3.253914       9.953155  
1 1 1 -24 34  8  o 53.045  3.7881  1548.64    216.205  1601.98    249.653  1388.62    432.405  53.827  4.3185  48.666  8.5135  5.161491       9.546199  
1 1 1 -24 34  9  o 48.811  4.0364  1316.33    211.479  1240.48    244.609  1540.79    420.822  47.164  4.8579  51.570  7.7757  -4.406105      9.168490  
1 1 1 -24 34  10 o 29.307  6.3217  498.591    194.775  537.088    228.887  397.535    370.841  30.257  7.1056  27.422  9.8308  2.834484       12.12983  
1 1 1 -24 34  11 o 17.544  6.9064  108.118    192.689  102.840    230.235  120.459    352.060  18.531  7.4642  22.004  9.0906  -3.473392      11.76235  
1 1 1 -24 34  12 o 76.183  3.3160  3177.21    273.614  3393.45    319.264  2579.05    530.991  78.616  3.7495  66.854  7.4604  11.76184       8.349619  
1 1 1 -24 34  13 o 23.983  7.0288  334.925    194.369  309.956    229.338  398.591    366.211  23.509  7.7574  27.164  9.7659  -3.654852      12.47201  
1 1 1 -24 34  14 o 16.383  6.9134  32.073     210.178  -185.6878  261.273  431.402    353.811  14.890  6.8844  27.653  9.6300  -12.76303      11.83769  
1 1 1 -24 34  15 o 38.638  5.5229  852.989    224.551  796.461    270.917  977.061    401.371  36.734  7.0657  39.686  9.4697  -2.951252      11.81525  
1 1 1 -24 34  16 o 35.211  1.7360  674.177    66.205   547.913    282.444  681.518    68.102   29.911  8.3822  35.354  1.7843  -5.442482      8.569956  
1 1 1 -24 34  17 o 42.142  5.3387  1019.62    238.214  1062.40    291.444  933.514    413.475  42.451  6.5494  37.887  9.9487  4.563908       11.91100  
1 1 1 -24 34  18 o 44.539  1.7507  1080.76    84.454   500.983    292.601  1133.45    88.208   28.069  8.7128  45.607  1.7857  -17.53760      8.893909  
1 1 1 -24 34  19 o 39.849  5.7817  939.537    242.258  827.074    299.421  1152.70    412.224  36.090  7.8809  41.594  9.3746  -5.504864      12.24704  
1 1 1 -24 34  20 o 29.598  8.4984  577.008    286.762  491.284    368.552  708.529    456.505  27.324  9.7999  31.424  10.939  -4.099606      14.68659  
1 1 1 -24 34  21 o 28.001  10.013  540.589    384.456  540.589    384.456  0.0000     0.0000   28.001  10.013  ?       ?       0.000000       10.01261  
1 1 1 -24 34  22 o 31.000  10.555  723.647    424.240  723.647    424.240  0.0000     0.0000   31.000  10.555  ?       ?       0.000000       10.55524  
1 1 1 -24 34  23 o 14.704  7.1892  -517.1210  380.275  -517.1210  380.275  0.0000     0.0000   14.704  7.1892  ?       ?       0.000000       7.189241  
1 1 1 -24 34  24 o 23.285  9.7369  313.380    410.947  313.380    410.947  0.0000     0.0000   23.285  9.7369  ?       ?       0.000000       9.736901  
1 1 1 -24 35  1  o 40.004  5.1384  896.957    217.493  896.957    217.493  0.0000     0.0000   40.004  5.1384  ?       ?       0.000000       5.138363  
1 1 1 -24 35  2  o 71.389  4.1992  2804.58    323.263  2804.58    323.263  0.0000     0.0000   71.389  4.1992  ?       ?       0.000000       4.199218  
1 1 1 -24 35  3  o 123.457 3.1411  8313.21    420.011  8234.62    473.401  8603.89    910.404  122.748 3.5608  123.807 6.8154  -1.059738      7.689559  
1 1 1 -24 35  4  o 102.473 3.0752  5725.94    341.308  5620.88    385.074  6110.88    737.122  101.424 3.5054  104.415 6.5511  -2.991096      7.429936  
1 1 1 -24 35  5  o 32.718  4.9598  602.807    170.249  613.327    191.382  562.909    372.708  32.852  5.5782  31.139  9.8585  1.712770       11.32726  
1 1 1 -24 35  6  o 26.035  6.6857  393.622    189.504  427.336    222.247  303.819    362.727  27.084  7.3766  25.610  9.6303  1.474592       12.13079  
1 1 1 -24 35  7  o 32.186  6.5740  599.355    221.430  524.594    274.903  737.468    373.647  29.856  8.2343  35.065  9.5706  -5.209404      12.62539  
1 1 1 -24 35  8  o 13.862  6.0149  -18.2327   167.396  -80.1737   191.796  179.812    342.951  13.775  6.1837  22.893  9.1491  -9.117904      11.04283  
1 1 1 -24 35  9  o 34.839  5.1095  685.182    187.072  773.297    214.105  400.843    384.610  36.935  5.5214  27.687  10.001  9.248116       11.42411  
1 1 1 -24 35  10 o 36.820  4.9153  762.333    191.126  835.003    219.425  533.849    389.078  38.417  5.4243  30.387  10.108  8.030386       11.47137  
1 1 1 -24 35  11 o 54.192  3.8693  1620.64    225.613  1546.17    262.356  1832.06    442.052  52.709  4.6430  56.311  7.4293  -3.601830      8.760820  
1 1 1 -24 35  12 o 41.760  2.2370  951.870    100.814  1160.91    240.456  907.289    111.045  45.489  4.9609  40.722  2.5302  4.766388       5.568850  
1 1 1 -24 35  13 o 9.0717  2.4187  46.408     24.200   66.029     241.658  46.209     24.322   18.057  7.5014  9.0550  2.4295  9.001501       7.884997  
1 1 1 -24 35  14 o 43.959  2.1133  1051.75    100.619  998.529    266.943  1060.57    108.632  41.700  6.0899  44.067  2.2839  -2.366573      6.504051  
1 1 1 -24 35  15 f 17.911  7.1044  113.953    205.337  204.796    249.799  -75.3248   360.575  21.058  7.9751  19.208  8.5605  1.849432       11.69978  
1 1 1 -24 35  16 o 58.605  3.9868  1910.02    251.561  1980.22    299.201  1740.70    464.666  59.384  4.6900  53.724  8.2492  5.659718       9.489209  
1 1 1 -24 35  17 o 25.492  7.6293  395.536    227.071  532.398    282.835  147.358    380.868  29.169  8.4588  22.291  9.3509  6.878618       12.60919  
1 1 1 -24 35  18 o 54.849  4.4407  1704.33    261.544  1710.60    318.515  1691.35    458.262  54.333  5.4877  51.846  8.4520  2.487129       10.07720  
1 1 1 -24 35  19 o 64.940  4.1000  2380.40    286.904  2566.68    351.937  2011.33    495.379  66.877  4.8926  56.239  8.3892  10.63788       9.711642  
1 1 1 -24 35  20 o 26.390  8.6287  453.254    283.986  599.738    386.935  282.219    418.107  29.473  10.080  24.017  9.9132  5.455519       14.13799  
1 1 1 -24 35  21 o 29.808  10.338  637.273    407.585  637.273    407.585  0.0000     0.0000   29.808  10.338  ?       ?       0.000000       10.33841  
1 1 1 -24 35  22 o 20.015  8.8608  66.481     379.955  66.481     379.955  0.0000     0.0000   20.015  8.8608  ?       ?       0.000000       8.860845  
1 1 1 -24 35  23 o 25.132  10.159  417.926    428.185  417.926    428.185  0.0000     0.0000   25.132  10.159  ?       ?       0.000000       10.15945  
1 1 1 -24 35  24 o 16.816  7.9951  -259.7407  396.953  -259.7407  396.953  0.0000     0.0000   16.816  7.9951  ?       ?       0.000000       7.995089  
1 1 1 -24 36  1  o 50.347  4.3657  1402.32    235.708  1402.32    235.708  0.0000     0.0000   50.347  4.3657  ?       ?       0.000000       4.365678  
1 1 1 -24 36  2  o 56.330  3.5307  1740.94    214.324  1806.13    232.586  1374.06    551.783  57.329  3.7667  47.469  10.955  9.859947       11.58425  
1 1 1 -24 36  3  o 98.553  3.0960  5297.45    330.477  5322.96    368.786  5193.40    744.640  98.706  3.4495  95.843  7.2264  2.862869       8.007520  
1 1 1 -24 36  4  o 53.402  3.4332  1564.27    197.521  1682.80    223.539  1142.18    421.850  55.329  3.7524  43.848  9.1771  11.48047       9.914577  
1 1 1 -24 36  5  o 32.717  5.0933  604.250    174.617  576.549    197.646  702.779    372.745  31.718  5.9723  34.293  9.6361  -2.574673      11.33680  
1 1 1 -24 36  6  o 68.311  3.1427  2546.50    232.518  2918.87    264.029  1259.82    490.792  73.100  3.3348  45.646  10.186  27.45340       10.71762  
1 1 1 -24 36  7  o 14.994  6.4064  3.8450     184.351  30.709     218.245  -63.0627   344.426  16.755  7.0561  19.237  8.4803  -2.482176      11.03199  
1 1 1 -24 36  8  o 31.236  5.1696  553.520    168.779  536.788    188.665  620.578    377.695  30.556  5.9143  32.305  9.8778  -1.748549      11.51307  
1 1 1 -24 36  9  o 72.696  3.1252  2886.34    246.066  3046.47    279.559  2335.63    518.449  74.614  3.4593  63.669  7.6727  10.94511       8.416470  
1 1 1 -24 36  10 o 42.623  1.9010  987.095    87.758   838.304    217.705  1015.96    95.895   38.501  5.3665  43.230  2.0480  -4.729023      5.744050  
1 1 1 -24 36  11 o 76.365  3.2237  3189.96    266.633  3249.44    307.602  3010.23    534.728  76.955  3.6905  72.628  6.8797  4.327042       7.807057  
1 1 1 -24 36  12 o 18.122  6.8549  142.038    184.403  183.402    215.535  29.065     356.198  19.945  7.4384  20.634  8.8628  -0.6888657     11.57060  
1 1 1 -24 36  13 o 53.376  3.8909  1575.97    223.388  1824.84    259.855  871.255    437.279  57.356  4.2124  37.330  10.419  20.02586       11.23789  
1 1 1 -24 36  14 o 86.649  3.2775  4116.23    307.596  4044.90    358.632  4314.71    598.246  85.691  3.8641  87.036  6.3908  -1.345528      7.468163  
1 1 1 -24 36  15 o 27.972  2.1400  428.669    64.341   790.944    263.216  405.647    66.354   36.605  6.8918  27.185  2.2745  9.420641       7.257406  
1 1 1 -24 36  16 o 46.844  4.9379  1243.20    246.756  1291.51    302.294  1146.73    427.166  47.254  6.0449  42.604  9.4994  4.650356       11.25962  
1 1 1 -24 36  17 o 39.419  5.7136  905.141    236.833  1046.51    289.081  616.579    413.016  41.990  6.5718  30.824  10.415  11.16620       12.31511  
1 1 1 -24 36  18 o 34.293  6.4279  709.745    229.981  871.647    280.795  379.815    400.843  37.671  7.1433  25.812  10.019  11.85908       12.30442  
1 1 1 -24 36  19 o 14.223  6.5907  -148.9368  241.402  -189.5986  328.270  -101.0531  356.230  16.405  7.6305  18.070  8.2368  -1.664501      11.22807  
1 1 1 -24 36  20 o 25.034  10.226  338.677    439.168  338.677    439.168  0.0000     0.0000   25.034  10.226  ?       ?       0.000000       10.22593  
1 1 1 -24 36  21 o 45.146  8.6626  1352.60    408.174  1352.60    408.174  0.0000     0.0000   45.146  8.6626  ?       ?       0.000000       8.662639  
1 1 1 -24 36  22 o 17.660  8.2869  -199.7178  401.502  -199.7178  401.502  0.0000     0.0000   17.660  8.2869  ?       ?       0.000000       8.286866  
1 1 1 -24 36  23 f 38.371  10.087  1103.48    424.740  1103.48    424.740  0.0000     0.0000   38.371  10.087  ?       ?       0.000000       10.08688  
1 1 1 -24 36  24 o 21.813  9.5977  177.927    439.196  177.927    439.196  0.0000     0.0000   21.813  9.5977  ?       ?       0.000000       9.597653  
1 1 1 -24 37  1  o 76.021  2.9470  3150.71    242.655  2958.30    261.456  4346.09    651.684  73.605  3.2796  87.738  6.9138  -14.13294      7.652176  
1 1 1 -24 37  2  o 43.432  5.0823  1054.99    234.558  1058.25    262.734  1042.18    520.622  43.314  5.7419  41.177  11.321  2.137287       12.69433  
1 1 1 -24 37  3  o 20.718  6.1692  242.793    148.751  130.349    157.770  1142.78    446.348  17.167  6.3716  43.643  9.6947  -26.47558      11.60105  
1 1 1 -24 37  4  o 26.080  5.6474  391.245    154.907  368.297    167.370  528.342    409.091  25.222  6.1760  30.613  10.365  -5.390020      12.06582  
1 1 1 -24 37  5  o 26.011  5.6352  389.253    154.171  400.911    170.484  336.932    361.172  26.324  6.0989  26.201  9.6567  0.1239262      11.42141  
1 1 1 -24 37  6  o 68.252  3.1314  2542.54    231.488  2528.38    262.070  2592.83    493.791  67.890  3.5766  67.636  6.8343  0.2543106      7.713644  
1 1 1 -24 37  7  o 55.284  2.4524  1663.39    146.844  1604.15    283.091  1685.20    171.759  53.676  4.9243  55.522  2.8659  -1.845654      5.697547  
1 1 1 -24 37  8  o 65.547  3.2304  2347.60    229.339  2449.92    260.451  1994.45    483.876  66.791  3.6137  58.740  7.7983  8.051151       8.594900  
1 1 1 -24 37  9  o 39.566  2.2004  854.057    93.924   1082.40    224.207  805.457    103.437  44.018  4.7795  38.378  2.5021  5.639488       5.394839  
1 1 1 -24 37  10 o 88.365  3.1459  4267.68    301.086  4391.12    346.998  3891.61    605.675  89.513  3.5791  82.749  6.8185  6.763939       7.700807  
1 1 1 -24 37  11 o 71.348  3.4519  2789.41    266.753  2859.48    312.577  2601.61    511.746  71.980  4.0255  67.314  7.1275  4.666298       8.185699  
1 1 1 -24 37  12 o 29.192  6.4868  499.076    199.780  474.883    235.367  561.430    377.862  28.279  7.5447  30.695  9.9487  -2.415663      12.48598  
1 1 1 -24 37  13 o 11.896  5.5861  -179.2373  182.968  -178.7216  215.928  -180.5504  344.555  13.280  6.1808  17.637  8.0633  -4.357049      10.15964  
1 1 1 -24 37  14 o 52.122  4.2436  1512.02    237.486  1600.98    281.716  1293.54    441.489  53.399  4.9264  45.991  9.1844  7.407600       10.42222  
1 1 1 -24 37  15 o 20.248  7.4449  202.671    214.491  291.946    263.773  28.413     368.522  23.272  8.2965  20.678  8.9486  2.593908       12.20289  
1 1 1 -24 37  16 o 56.191  2.7545  1730.16    167.638  2226.54    319.790  1542.06    196.853  62.872  4.7308  52.763  3.4639  10.10902       5.863362  
1 1 1 -24 37  17 o 60.504  3.9993  2049.74    260.602  2087.28    310.691  1960.63    478.637  60.644  4.7685  56.489  8.0507  4.155045       9.356962  
1 1 1 -24 37  18 o 26.730  7.7779  451.401    238.768  598.890    302.631  208.210    388.605  30.279  8.7410  22.841  9.5028  7.437862       12.91152  
1 1 1 -24 37  19 o 49.848  2.2686  1361.87    122.480  1048.39    345.372  1406.97    130.994  40.478  8.1595  50.634  2.3886  -10.15582      8.501930  
1 1 1 -24 37  20 o 26.196  9.7255  442.408    367.627  442.408    367.627  0.0000     0.0000   26.196  9.7255  ?       ?       0.000000       9.725486  
1 1 1 -24 37  21 o 21.254  9.2478  127.877    397.880  127.877    397.880  0.0000     0.0000   21.254  9.2478  ?       ?       0.000000       9.247795  
1 1 1 -24 37  22 o 23.096  9.7398  267.888    416.730  267.888    416.730  0.0000     0.0000   23.096  9.7398  ?       ?       0.000000       9.739809  
1 1 1 -24 37  23 o 19.990  9.0553  26.473     422.177  26.473     422.177  0.0000     0.0000   19.990  9.0553  ?       ?       0.000000       9.055333  
1 1 1 -24 37  24 o 47.913  2.5002  1273.10    129.298  1273.10    129.298  0.0000     0.0000   47.913  2.5002  ?       ?       0.000000       2.500205  
1 1 1 -24 38  1  o 27.776  4.8897  437.537    141.729  433.354    146.759  495.449    546.060  27.592  5.0986  31.403  11.815  -3.810709      12.86773  
1 1 1 -24 38  2  o 70.934  3.0798  2745.17    236.615  2797.48    256.760  2450.56    609.394  71.565  3.3125  64.789  8.9207  6.776367       9.515848  
1 1 1 -24 38  3  o 35.251  4.3640  692.897    163.060  754.646    174.018  248.391    466.893  36.788  4.4584  26.489  10.644  10.29895       11.53959  
1 1 1 -24 38  4  o 39.209  4.0532  851.961    169.644  789.116    184.283  1201.05    434.327  37.588  4.6240  44.900  9.2392  -7.311897      10.33169  
1 1 1 -24 38  5  o 40.271  4.0734  898.703    175.231  895.205    195.699  912.851    393.560  40.071  4.5920  38.962  9.4280  1.108223       10.48685  
1 1 1 -24 38  6  o 70.968  3.0234  2748.15    232.398  2640.60    261.737  3148.81    505.185  69.394  3.4936  74.798  6.2943  -5.404404      7.198819  
1 1 1 -24 38  7  o 49.533  5.5499  1379.07    292.633  1560.58    404.994  1180.78    423.304  52.041  7.3930  44.469  9.0954  7.571640       11.72103  
1 1 1 -24 38  8  o 91.922  2.7821  4606.98    276.990  4601.48    341.605  4617.54    473.282  91.704  3.4393  91.301  4.8029  0.4026642      5.907312  
1 1 1 -24 38  9  o 47.401  3.9952  1242.81    203.201  1247.74    231.633  1226.34    423.308  47.344  4.5742  45.311  8.9430  2.032795       10.04493  
1 1 1 -24 38  10 o 57.967  3.6143  1849.42    225.788  1916.21    259.707  1642.68    456.950  58.874  4.0983  52.867  8.2495  6.006977       9.211398  
1 1 1 -24 38  11 o 42.929  1.9711  1001.98    91.648   882.852    226.839  1025.22    100.189  39.445  5.4556  43.410  2.1309  -3.964722      5.856962  
1 1 1 -24 38  12 o 39.359  1.8900  842.106    80.568   753.008    239.066  853.522    85.575   36.057  6.3536  39.565  2.0034  -3.508244      6.662003  
1 1 1 -24 38  13 o 73.032  2.8387  2914.36    224.541  3195.98    330.971  2674.21    305.637  76.035  4.0333  69.518  4.0770  6.516693       5.734972  
1 1 1 -24 38  14 o 85.018  3.4763  3972.77    320.108  3774.50    379.539  4461.35    595.805  82.462  4.2641  88.460  6.2589  -5.998161      7.573414  
1 1 1 -24 38  15 o 33.274  6.4340  652.178    223.486  684.361    271.096  583.914    394.829  33.634  7.6185  30.727  10.180  2.906805       12.71546  
1 1 1 -24 38  16 f 48.639  4.6896  1338.39    243.995  1249.96    293.792  1534.98    438.041  46.379  5.9885  49.964  8.3920  -3.585472      10.30956  
1 1 1 -24 38  17 o 18.307  7.3347  128.182    221.025  116.869    272.680  149.854    377.403  19.317  7.9919  22.012  9.2750  -2.695669      12.24324  
1 1 1 -24 38  18 o 47.048  2.2600  1212.34    115.166  1138.60    308.380  1224.29    124.148  43.319  6.7963  47.175  2.4381  -3.856384      7.220366  
1 1 1 -24 38  19 o 27.752  8.1250  497.622    259.841  479.559    345.285  521.209    394.569  27.119  9.5093  28.046  10.130  -0.9269943     13.89404  
1 1 1 -24 38  20 o 21.862  9.2906  173.978    383.950  173.978    383.950  0.0000     0.0000   21.862  9.2906  ?       ?       0.000000       9.290581  
1 1 1 -24 38  21 o 56.158  7.7430  2017.79    458.437  2017.79    458.437  0.0000     0.0000   56.158  7.7430  ?       ?       0.000000       7.742968  
1 1 1 -24 38  22 o 39.362  9.7810  1120.44    415.159  1120.44    415.159  0.0000     0.0000   39.362  9.7810  ?       ?       0.000000       9.781034  
1 1 1 -24 38  23 o 29.673  10.689  691.808    438.919  691.808    438.919  0.0000     0.0000   29.673  10.689  ?       ?       0.000000       10.68904  
1 1 1 -24 39  1  f 30.098  4.2841  507.433    135.716  491.009    140.141  755.238    544.349  29.542  4.5239  35.656  11.957  -6.114073      12.78447  
1 1 1 -24 39  2  o 56.706  3.2090  1761.40    196.281  1714.99    212.141  2037.43    517.354  55.886  3.5227  59.233  8.2912  -3.346897      9.008556  
1 1 1 -24 39  3  o 11.022  4.9328  -50.0802   121.060  -99.0458   131.538  221.050    309.525  10.657  4.9123  22.953  8.8330  -12.29586      10.10707  
1 1 1 -24 39  4  f 77.530  3.0323  3279.67    254.626  3337.88    280.655  3008.82    605.414  78.157  3.3154  72.377  7.8486  5.779984       8.520143  
1 1 1 -24 39  5  o 87.046  2.9665  4133.39    279.679  4227.61    317.846  3810.23    588.648  87.948  3.3367  82.131  6.6750  5.817261       7.462558  
1 1 1 -24 39  6  f 87.610  2.9713  4187.84    281.950  4298.17    319.639  3801.03    598.511  88.672  3.3281  81.933  6.8060  6.739105       7.576130  
1 1 1 -24 39  7  o 47.113  1.9883  1206.18    101.459  566.723    384.132  1254.14    105.195  31.098  10.026  48.038  2.0218  -16.93981      10.22768  
1 1 1 -24 39  8  o 80.896  3.0732  3574.06    269.270  3737.92    306.630  3021.83    562.894  82.646  3.4255  72.699  7.2452  9.946922       8.014174  
1 1 1 -24 39  9  o 108.519 3.1094  6435.34    365.473  6866.79    419.537  5077.48    744.277  111.978 3.4591  94.229  7.3507  17.74973       8.123958  
1 1 1 -24 39  10 o 18.295  6.7876  152.864    179.002  105.136    205.495  302.992    364.455  17.828  7.0958  25.361  9.6263  -7.533161      11.95895  
1 1 1 -24 39  11 o 34.982  5.6418  699.921    206.495  1023.48    243.374  -131.6555  390.166  42.528  5.4057  19.503  8.7815  23.02504       10.31196  
1 1 1 -24 39  12 o 16.290  6.7054  59.017     190.648  225.473    224.829  -366.9998  359.681  21.178  7.6471  16.272  7.6994  4.906664       10.85171  
1 1 1 -24 39  13 o 25.065  7.0634  370.421    199.982  438.577    235.940  196.525    376.871  27.139  7.6807  23.537  9.5255  3.602104       12.23635  
1 1 1 -24 39  14 o 37.568  5.8671  814.253    230.930  1079.50    280.858  260.671    405.742  43.234  6.1730  24.947  9.9577  18.28789       11.71584  
1 1 1 -24 39  15 o 27.134  7.3847  445.004    222.829  479.869    273.090  375.552    385.438  28.025  8.3621  26.430  9.9295  1.594296       12.98147  
1 1 1 -24 39  16 o 35.403  6.2938  742.434    232.495  786.638    284.688  653.917    402.861  35.832  7.5724  31.674  10.273  4.158194       12.76245  
1 1 1 -24 39  17 o 44.998  2.1706  1107.12    105.791  1035.37    300.208  1117.29    113.042  41.320  6.9550  45.115  2.3212  -3.795464      7.332160  
1 1 1 -24 39  18 o 34.930  6.9013  749.574    251.836  882.614    319.582  531.610    409.056  37.156  8.1641  28.453  10.309  8.702702       13.14989  
1 1 1 -24 39  19 o 21.597  9.4826  85.264     426.761  85.264     426.761  0.0000     0.0000   21.597  9.4826  ?       ?       0.000000       9.482562  
1 1 1 -24 39  20 o 36.847  9.5503  941.635    384.284  941.635    384.284  0.0000     0.0000   36.847  9.5503  ?       ?       0.000000       9.550322  
1 1 1 -24 39  21 o 21.102  9.3307  92.983     420.073  92.983     420.073  0.0000     0.0000   21.102  9.3307  ?       ?       0.000000       9.330682  
1 1 1 -24 39  22 o 17.599  8.2822  -209.3578  406.036  -209.3578  406.036  0.0000     0.0000   17.599  8.2822  ?       ?       0.000000       8.282177  
1 1 1 -24 39  23 o 27.340  10.237  554.505    409.000  554.505    409.000  0.0000     0.0000   27.340  10.237  ?       ?       0.000000       10.23683  
1 1 1 -24 40  1  o 37.608  3.5848  781.047    144.255  746.710    151.993  1092.77    457.954  36.703  3.8824  42.360  10.120  -5.657578      10.83913  
1 1 1 -24 40  2  o 30.806  4.6657  534.374    150.800  565.605    159.804  280.437    455.684  31.675  4.8092  26.699  10.586  4.976208       11.62675  
1 1 1 -24 40  3  o 25.563  5.1410  373.947    137.408  355.673    144.135  556.145    455.112  24.850  5.5006  31.425  10.923  -6.575598      12.22993  
1 1 1 -24 40  4  o 59.282  3.2135  1925.25    205.564  1871.34    222.841  2233.02    532.449  58.372  3.5414  62.081  8.1127  -3.708591      8.851972  
1 1 1 -24 40  5  o 37.833  4.0630  794.643    163.881  792.127    180.660  806.332    389.396  37.664  4.5188  36.494  9.6892  1.169807       10.69114  
1 1 1 -24 40  6  o 51.021  3.4314  1430.33    188.517  1471.50    209.191  1252.37    434.916  51.678  3.7632  45.809  9.0865  5.869343       9.834928  
1 1 1 -24 40  7  o 71.961  3.7328  2846.38    289.939  2870.06    350.134  2794.72    517.185  72.017  4.5116  70.073  6.9041  1.944107       8.247480  
1 1 1 -24 40  8  o 33.999  5.6286  659.711    200.019  718.123    232.402  492.824    392.826  35.295  6.3109  29.526  10.155  5.769951       11.95595  
1 1 1 -24 40  9  o 64.217  3.3259  2262.91    230.537  2432.37    262.237  1686.36    483.706  66.494  3.6552  53.366  8.6658  13.12869       9.405130  
1 1 1 -24 40  10 o 53.309  3.7778  1568.66    216.713  1595.48    248.699  1484.02    441.733  53.612  4.3196  50.030  8.4531  3.581837       9.492835  
1 1 1 -24 40  11 o 47.228  4.0538  1237.20    205.353  575.906    233.609  3485.50    430.745  31.235  7.0700  79.025  5.0591  -47.78994      8.693637  
1 1 1 -24 40  12 o 38.214  5.0407  825.495    203.541  868.574    235.862  699.828    402.845  38.976  5.7608  33.692  10.180  5.283333       11.69659  
1 1 1 -24 40  13 o 19.404  7.2474  174.960    204.753  281.641    246.690  -61.2728   367.096  22.880  8.0369  19.591  8.6894  3.289148       11.83629  
1 1 1 -24 40  14 o 14.030  6.2855  -68.7989   197.129  9.9513     235.570  -252.7762  360.062  16.722  7.1955  17.195  7.9958  -0.4737797     10.75673  
1 1 1 -24 40  15 o 16.712  6.9672  58.801     209.507  -74.0029   254.445  338.386    369.187  15.929  7.1384  25.438  9.6807  -9.508311      12.02801  
1 1 1 -24 40  16 o 42.187  5.5181  1031.34    246.092  1070.98    302.760  954.162    422.474  42.297  6.8424  37.872  10.110  4.425304       12.20787  
1 1 1 -24 40  17 o 26.933  7.3405  452.723    219.985  502.772    265.798  343.891    391.950  28.069  8.2175  25.121  9.8625  2.947191       12.83736  
1 1 1 -24 40  18 o 28.193  8.0345  509.906    257.254  762.988    337.583  159.383    397.290  33.892  9.0326  22.191  9.4410  11.70147       13.06598  
1 1 1 -24 40  19 o 18.814  8.5193  -60.9676   373.265  -60.9676   373.265  0.0000     0.0000   18.814  8.5193  ?       ?       0.000000       8.519269  
1 1 1 -24 40  20 o 27.333  10.051  506.207    390.915  506.207    390.915  0.0000     0.0000   27.333  10.051  ?       ?       0.000000       10.05064  
1 1 1 -24 40  21 o 23.672  9.7418  306.892    402.284  306.892    402.284  0.0000     0.0000   23.672  9.7418  ?       ?       0.000000       9.741777  
1 1 1 -24 40  22 o 42.741  9.3371  1289.03    420.153  1289.03    420.153  0.0000     0.0000   42.741  9.3371  ?       ?       0.000000       9.337146  
1 1 1 -24 40  23 o 28.047  10.554  599.184    435.770  599.184    435.770  0.0000     0.0000   28.047  10.554  ?       ?       0.000000       10.55379  
1 1 1 -24 41  1  o 18.716  5.1997  199.936    109.178  165.759    112.810  705.196    433.751  17.322  5.4154  34.225  10.606  -16.90296      11.90822  
1 1 1 -24 41  2  o 54.921  3.1846  1653.06    188.623  1601.31    202.966  1980.83    510.849  53.987  3.4897  58.292  8.3279  -4.305180      9.029474  
1 1 1 -24 41  3  o 73.121  2.9611  2917.24    234.514  2873.27    256.295  3143.44    581.315  72.510  3.2634  74.190  7.3302  -1.679779      8.023805  
1 1 1 -24 41  4  o 78.794  2.5255  3380.65    215.531  3192.14    278.451  3662.39    340.416  76.404  3.3648  81.718  3.8461  -5.313690      5.110258  
1 1 1 -24 41  5  o 55.506  3.2494  1689.44    194.498  1600.78    216.165  2066.34    445.711  53.920  3.7242  60.162  6.9692  -6.241802      7.901877  
1 1 1 -24 41  6  o 115.282 2.9991  7254.60    374.470  7290.48    426.546  7133.98    782.063  115.432 3.4117  112.558 6.4418  2.874741       7.289428  
1 1 1 -24 41  7  o 96.299  3.0281  5064.11    315.838  5093.16    360.284  4967.67    656.423  96.456  3.4486  93.785  6.5023  2.671181       7.360257  
1 1 1 -24 41  8  o 114.358 3.5833  7168.62    443.826  6883.89    537.826  7776.44    785.802  111.701 4.4454  117.563 6.1931  -5.861595      7.623403  
1 1 1 -24 41  9  o 36.311  5.0829  745.276    194.427  732.093    223.097  786.909    396.459  35.708  5.9799  35.805  9.8941  -0.9736633E-01 11.56079  
1 1 1 -24 41  10 f 53.767  2.5609  1576.07    149.133  1965.89    248.415  1356.40    186.476  59.677  3.8640  49.620  3.4920  10.05723       5.208157  
1 1 1 -24 41  11 o 106.022 3.0111  6145.78    345.772  6358.03    412.366  5643.15    634.573  107.644 3.5369  100.115 5.8779  7.529251       6.859997  
1 1 1 -24 41  12 o 66.060  2.7238  2383.10    194.887  2663.48    300.978  2180.67    255.738  69.388  4.0221  62.844  3.7747  6.543823       5.515903  
1 1 1 -24 41  13 o 49.340  2.2865  1326.96    122.193  1303.52    263.326  1333.39    137.944  48.029  5.1418  49.348  2.5899  -1.318550      5.757251  
1 1 1 -24 41  14 o 69.635  3.5986  2680.15    270.488  2573.87    317.839  2959.27    515.085  67.924  4.3430  71.437  6.7366  -3.512970      8.015236  
1 1 1 -24 41  15 o 23.658  7.5856  331.535    220.124  317.793    269.278  359.214    382.168  23.720  8.3905  25.872  9.8486  -2.152018      12.93808  
1 1 1 -24 41  16 o 37.440  2.7074  773.617    109.045  1588.35    295.598  645.279    117.320  52.556  5.2636  34.038  3.2205  18.51757       6.170711  
1 1 1 -24 41  17 o 27.854  7.5021  487.804    231.387  606.780    284.870  257.100    396.684  30.666  8.3512  23.718  9.7071  6.947689       12.80507  
1 1 1 -24 41  18 o 26.610  8.4254  454.752    272.216  243.546    371.970  698.306    399.441  23.025  9.4089  31.748  10.222  -8.723495      13.89335  
1 1 1 -24 41  19 o 31.780  9.5014  695.818    352.318  695.818    352.318  0.0000     0.0000   31.780  9.5014  ?       ?       0.000000       9.501397  
1 1 1 -24 41  20 o 21.951  9.1515  212.539    361.478  212.539    361.478  0.0000     0.0000   21.951  9.1515  ?       ?       0.000000       9.151548  
1 1 1 -24 41  21 o 21.883  9.2489  208.629    377.150  208.629    377.150  0.0000     0.0000   21.883  9.2489  ?       ?       0.000000       9.248910  
1 1 1 -24 41  22 o 27.545  10.389  561.205    422.750  561.205    422.750  0.0000     0.0000   27.545  10.389  ?       ?       0.000000       10.38861  
1 1 1 -24 41  23 o 22.370  9.4730  249.002    396.842  249.002    396.842  0.0000     0.0000   22.370  9.4730  ?       ?       0.000000       9.472955  
1 1 1 -24 42  1  o 57.863  3.3542  1837.13    209.311  1787.70    230.941  2064.59    495.357  56.980  3.7632  59.716  7.8489  -2.736214      8.704393  
1 1 1 -24 42  2  o 57.942  2.3118  1826.69    145.086  1991.55    213.571  1685.40    197.710  60.271  3.2840  55.425  3.3085  4.845398       4.661676  
1 1 1 -24 42  3  o 36.657  4.0612  746.809    158.533  769.881    168.161  562.460    475.340  37.181  4.2523  31.637  11.152  5.543945       11.93558  
1 1 1 -24 42  4  o 47.046  3.5891  1219.02    181.507  1247.71    194.641  1027.66    502.615  47.549  3.8114  40.683  11.099  6.866577       11.73479  
1 1 1 -24 42  5  o 21.107  6.1796  254.532    150.309  280.842    165.134  127.428    362.962  22.130  6.4767  22.396  9.2394  -0.2663212     11.28336  
1 1 1 -24 42  6  o 83.288  3.0382  3788.30    274.072  4177.74    311.000  2434.35    579.887  87.402  3.2853  64.507  8.5074  22.89551       9.119682  
1 1 1 -24 42  7  o 55.653  3.3462  1700.91    200.761  1568.22    224.230  2237.11    450.749  53.292  3.9121  62.626  6.7520  -9.333466      7.803464  
1 1 1 -24 42  8  o 36.734  5.8531  771.806    225.059  799.008    272.477  713.404    399.246  36.982  7.0601  34.182  10.090  2.799824       12.31446  
1 1 1 -24 42  9  o 76.085  2.7161  3158.30    223.830  3354.55    302.113  2919.49    333.260  78.205  3.5667  72.647  4.2540  5.558266       5.551361  
1 1 1 -24 42  10 o 89.028  3.0921  4334.95    298.159  4241.02    340.867  4640.89    615.206  87.912  3.5799  90.526  6.3140  -2.614014      7.258268  
1 1 1 -24 42  11 o 65.318  3.4044  2345.57    240.018  2365.14    274.419  2281.86    495.113  65.443  3.8890  62.707  7.4347  2.735943       8.390420  
1 1 1 -24 42  12 o 21.212  6.9956  250.510    186.513  287.626    215.636  140.263    371.641  22.654  7.5244  22.513  9.3235  0.1407795      11.98098  
1 1 1 -24 42  13 o 22.832  7.1541  301.951    196.754  172.313    230.238  652.964    378.855  19.864  7.6245  32.359  9.8927  -12.49533      12.48997  
1 1 1 -24 42  14 o 41.951  1.9037  958.177    86.501   726.774    276.158  983.350    91.084   34.624  7.5746  42.489  1.9792  -7.865513      7.828956  
1 1 1 -24 42  15 o 13.476  6.1740  -114.5111  203.491  -63.5178   245.454  -226.5970  363.905  15.712  7.0283  17.324  8.0499  -1.611928      10.68636  
1 1 1 -24 42  16 o 17.001  7.1095  68.880     219.105  -4.7197    270.505  209.281    373.613  17.216  7.5545  22.784  9.3836  -5.567947      12.04669  
1 1 1 -24 42  17 o 16.367  7.1228  9.8675     236.130  180.536    303.795  -250.6010  375.303  20.953  8.5258  17.126  8.0286  3.827126       11.71104  
1 1 1 -24 42  18 o 16.513  7.7532  -243.1747  352.285  -243.1747  352.285  0.0000     0.0000   16.513  7.7532  ?       ?       0.000000       7.753226  
1 1 1 -24 42  19 o 15.209  7.1365  -212.3008  297.735  -212.3008  297.735  0.0000     0.0000   15.209  7.1365  ?       ?       0.000000       7.136544  
1 1 1 -24 42  20 f 37.295  8.9823  948.747    358.511  948.747    358.511  0.0000     0.0000   37.295  8.9823  ?       ?       0.000000       8.982288  
1 1 1 -24 42  21 o 59.537  8.2117  2326.45    515.434  2326.45    515.434  0.0000     0.0000   59.537  8.2117  ?       ?       0.000000       8.211715  
1 1 1 -24 42  22 o 29.670  10.569  677.487    427.952  677.487    427.952  0.0000     0.0000   29.670  10.569  ?       ?       0.000000       10.56867  
1 1 1 -24 43  1  o 44.958  6.6749  1160.06    315.155  1399.60    417.588  843.070    480.372  48.833  8.1848  36.985  11.103  11.84783       13.79370  
1 1 1 -24 43  2  o 48.340  3.2540  1283.09    169.380  1319.56    180.327  1009.80    493.658  48.990  3.4199  40.325  10.998  8.664444       11.51791  
1 1 1 -24 43  3  o 31.655  4.3330  561.489    144.662  510.401    152.179  1040.66    466.058  30.029  4.8436  41.109  10.446  -11.07928      11.51424  
1 1 1 -24 43  4  o 20.844  5.9692  248.998    141.642  230.205    148.877  428.391    459.975  20.215  6.2050  29.064  10.861  -8.849297      12.50872  
1 1 1 -24 43  5  o 87.103  2.9601  4141.91    279.264  4477.54    316.161  2950.49    595.675  90.495  3.2256  71.472  7.8227  19.02394       8.461604  
1 1 1 -24 43  6  o 158.860 3.4365  13819.07   591.297  14052.73   678.401  13080.40   1206.21  159.935 3.9163  151.605 7.3458  8.329376       8.324533  
1 1 1 -24 43  7  o 58.843  3.3258  1901.08    211.094  1976.28    237.822  1621.80    458.312  59.908  3.6830  52.466  8.3445  7.441666       9.121170  
1 1 1 -24 43  8  o 46.402  5.9653  1224.75    292.865  848.383    402.282  1649.16    427.186  37.152  9.8408  53.221  7.6290  -16.06910      12.45160  
1 1 1 -24 43  9  o 78.401  3.1442  3362.40    266.996  3525.58    305.449  2833.95    549.680  80.180  3.5173  70.111  7.3478  10.06865       8.146205  
1 1 1 -24 43  10 o 17.272  6.4871  130.926    164.493  43.074     183.578  488.771    370.503  15.703  6.5320  29.079  9.8643  -13.37602      11.83094  
1 1 1 -24 43  11 o 28.287  6.4109  469.840    191.881  442.427    220.266  556.113    390.760  27.292  7.3064  30.525  10.129  -3.233259      12.48882  
1 1 1 -24 43  12 o 34.478  5.7969  686.163    208.792  626.138    244.488  847.883    401.305  32.435  7.1517  36.757  9.8713  -4.321598      12.18970  
1 1 1 -24 43  13 o 55.592  4.0923  1720.30    244.672  1709.40    288.798  1748.00    460.548  55.098  4.8902  54.005  8.1252  1.093109       9.483276  
1 1 1 -24 43  14 o 28.341  6.8472  483.890    207.832  447.080    244.979  578.416    392.577  27.053  7.8803  30.332  10.155  -3.278130      12.85354  
1 1 1 -24 43  15 o 26.330  1.8224  379.490    51.650   508.164    259.677  374.190    52.703   28.502  8.0548  26.136  1.8742  2.365969       8.270002  
1 1 1 -24 43  16 o 20.384  7.6821  213.078    231.064  340.696    289.629  -10.3582   383.234  24.080  8.6818  19.900  8.8499  4.180199       12.39736  
1 1 1 -24 43  17 o 37.262  2.2117  762.640    88.862   997.222    331.685  744.501    92.233   39.714  7.9879  36.787  2.3268  2.926338       8.319872  
1 1 1 -24 43  18 o 27.339  9.3697  490.689    334.317  490.689    334.317  0.0000     0.0000   27.339  9.3697  ?       ?       0.000000       9.369744  
1 1 1 -24 43  19 o 72.135  5.6040  3059.61    434.405  3059.61    434.405  0.0000     0.0000   72.135  5.6040  ?       ?       0.000000       5.604018  
1 1 1 -24 43  20 o 21.230  9.2906  116.297    406.652  116.297    406.652  0.0000     0.0000   21.230  9.2906  ?       ?       0.000000       9.290633  
1 1 1 -24 43  21 o 20.649  9.1301  91.854     402.203  91.854     402.203  0.0000     0.0000   20.649  9.1301  ?       ?       0.000000       9.130149  
1 1 1 -24 43  22 o 15.335  7.4683  -490.9942  399.057  -490.9942  399.057  0.0000     0.0000   15.335  7.4683  ?       ?       0.000000       7.468296  
1 1 1 -24 44  1  o 15.531  7.1074  -159.5130  268.613  -310.2492  347.078  65.616     424.165  16.475  7.7226  22.848  9.7387  -6.373434      12.42904  
1 1 1 -24 44  2  o 17.933  6.2050  165.419    146.781  133.226    155.528  427.720    443.944  17.134  6.3328  28.815  10.690  -11.68183      12.42456  
1 1 1 -24 44  3  o 23.434  1.2626  298.694    31.929   111.228    132.467  310.257    32.899   15.783  5.8422  23.883  1.2764  -8.100629      5.980047  
1 1 1 -24 44  4  o 42.482  3.7083  997.158    168.917  986.471    179.926  1076.56    490.433  42.188  3.9848  41.607  10.792  0.5810966      11.50372  
1 1 1 -24 44  5  o 38.451  4.1020  822.180    168.194  795.729    185.866  941.766    395.207  37.680  4.6532  39.369  9.3985  -1.689007      10.48728  
1 1 1 -24 44  6  o 45.916  3.6666  1163.69    180.826  1235.55    199.989  841.678    423.328  47.253  3.9436  36.954  10.229  10.29877       10.96260  
1 1 1 -24 44  7  o 19.518  6.4144  207.968    156.861  143.659    173.768  491.034    364.566  17.905  6.6787  29.169  9.7855  -11.26437      11.84740  
1 1 1 -24 44  8  o 59.227  4.0253  1939.20    256.687  2051.42    307.302  1680.19    466.869  60.699  4.7112  53.347  8.3543  7.352165       9.591081  
1 1 1 -24 44  9  o 31.455  5.3836  565.915    176.820  579.666    198.150  512.159    391.772  31.661  5.9979  29.749  10.143  1.911623       11.78388  
1 1 1 -24 44  10 o 32.946  1.9417  592.272    68.984   733.628    203.891  574.000    73.307   35.877  5.4156  32.412  2.0995  3.465061       5.808347  
1 1 1 -24 44  11 o 100.342 3.2188  5518.94    349.824  5864.02    405.729  4519.19    690.603  103.264 3.6276  88.401  7.2774  14.86314       8.131404  
1 1 1 -24 44  12 o 66.948  2.6103  2448.35    189.277  2400.65    289.503  2483.97    250.144  65.765  4.0845  67.132  3.4519  -1.367455      5.347836  
1 1 1 -24 44  13 o 27.050  2.2382  401.790    64.987   786.812    246.016  372.908    67.381   36.589  6.4432  26.022  2.4183  10.56688       6.882074  
1 1 1 -24 44  14 o 42.799  4.9065  1043.35    223.334  979.124    262.479  1211.78    425.082  40.904  6.1120  43.682  9.2714  -2.777744      11.10476  
1 1 1 -24 44  15 o 36.753  5.8575  794.965    225.344  881.807    269.205  591.671    411.891  38.284  6.7383  30.090  10.395  8.194830       12.38818  
1 1 1 -24 44  16 o 26.016  1.7166  370.404    48.097   451.035    306.260  368.365    48.702   26.673  8.9688  25.939  1.7436  0.7339420      9.136719  
1 1 1 -24 44  17 o 28.273  9.1526  523.871    319.883  523.871    319.883  0.0000     0.0000   28.273  9.1526  ?       ?       0.000000       9.152632  
1 1 1 -24 44  18 o 47.393  9.5416  1512.17    472.843  1512.17    472.843  0.0000     0.0000   47.393  9.5416  ?       ?       0.000000       9.541616  
1 1 1 -24 44  19 o 14.165  6.8472  -396.7524  319.369  -396.7524  319.369  0.0000     0.0000   14.165  6.8472  ?       ?       0.000000       6.847244  
1 1 1 -24 44  20 o 39.451  8.7148  1050.17    362.446  1050.17    362.446  0.0000     0.0000   39.451  8.7148  ?       ?       0.000000       8.714830  
1 1 1 -24 44  21 o 37.815  10.191  1062.34    426.824  1062.34    426.824  0.0000     0.0000   37.815  10.191  ?       ?       0.000000       10.19078  
1 1 1 -24 44  22 o 31.154  10.625  754.713    429.906  754.713    429.906  0.0000     0.0000   31.154  10.625  ?       ?       0.000000       10.62541  
1 1 1 -24 45  1  o 54.516  5.8079  1678.65    337.662  1812.67    451.493  1508.55    508.651  55.864  7.6639  49.858  9.7686  6.005791       12.41610  
1 1 1 -24 45  2  o 31.284  8.5446  586.042    297.705  385.819    389.805  866.294    461.174  27.328  10.038  37.379  10.790  -10.05106      14.73758  
1 1 1 -24 45  3  o 48.266  3.3922  1281.57    176.209  1229.18    188.192  1654.06    501.821  47.191  3.7118  52.614  9.1374  -5.423347      9.862544  
1 1 1 -24 45  4  o 41.408  3.7793  948.829    167.632  960.839    178.361  857.922    490.712  41.618  4.0064  37.145  11.238  4.473022       11.93061  
1 1 1 -24 45  5  o 61.336  3.2147  2063.35    212.817  2095.68    234.124  1909.61    510.584  61.740  3.5157  56.896  8.5499  4.844181       9.244507  
1 1 1 -24 45  6  o 38.928  4.2275  844.361    175.379  825.178    195.261  924.428    398.923  38.321  4.8105  38.892  9.5420  -0.5707092     10.68602  
1 1 1 -24 45  7  o 36.885  4.5020  762.186    176.125  795.953    196.048  620.925    400.984  37.583  4.9355  32.125  10.232  5.457703       11.35972  
1 1 1 -24 45  8  o 60.352  2.4896  1985.05    162.741  1584.51    317.202  2128.15    189.596  52.977  5.6137  62.437  2.8036  -9.460129      6.274815  
1 1 1 -24 45  9  o 69.030  3.2568  2609.66    243.501  2573.19    277.176  2732.99    509.707  68.321  3.7601  69.019  6.9112  -0.6980972     7.867882  
1 1 1 -24 45  10 o 41.608  4.2567  966.102    189.133  933.710    212.574  1089.16    414.319  40.696  4.9227  42.131  9.3260  -1.434345      10.54549  
1 1 1 -24 45  11 o 16.297  6.5893  77.104     180.172  184.150    206.002  -271.2649  371.626  19.654  7.2835  17.409  8.1046  2.244297       10.89647  
1 1 1 -24 45  12 o 16.064  6.6227  59.880     186.343  173.176    215.056  -281.4560  373.281  19.515  7.3976  17.285  8.0720  2.229736       10.94910  
1 1 1 -24 45  13 f 26.815  7.1075  434.501    209.759  376.589    248.236  579.095    392.242  25.129  8.0552  30.394  10.150  -5.265081      12.95825  
1 1 1 -24 45  14 o 31.739  1.6857  549.799    57.742   488.541    273.466  552.658    59.074   27.971  8.3728  31.816  1.7207  -3.845213      8.547742  
1 1 1 -24 45  15 o 18.485  7.3554  137.898    220.748  212.092    272.487  -3.7772    376.537  21.120  8.2427  19.886  8.8113  1.234287       12.06567  
1 1 1 -24 45  16 o 30.307  7.5326  576.825    246.188  472.067    308.610  760.160    408.262  27.168  9.0005  33.264  10.286  -6.096386      13.66803  
1 1 1 -24 45  17 o 16.767  7.6028  -85.1552   298.452  -85.1552   298.452  0.0000     0.0000   16.767  7.6028  ?       ?       0.000000       7.602836  
1 1 1 -24 45  18 o 44.035  7.7665  1226.07    356.880  1226.07    356.880  0.0000     0.0000   44.035  7.7665  ?       ?       0.000000       7.766484  
1 1 1 -24 45  19 o 20.016  8.5635  116.601    330.199  116.601    330.199  0.0000     0.0000   20.016  8.5635  ?       ?       0.000000       8.563521  
1 1 1 -24 45  20 o 18.487  8.3411  -24.3676   354.122  -24.3676   354.122  0.0000     0.0000   18.487  8.3411  ?       ?       0.000000       8.341063  
1 1 1 -24 45  21 o 28.413  10.210  596.105    400.231  596.105    400.231  0.0000     0.0000   28.413  10.210  ?       ?       0.000000       10.21002  
1 1 1 -24 45  22 o 42.348  9.6467  1286.60    432.589  1286.60    432.589  0.0000     0.0000   42.348  9.6467  ?       ?       0.000000       9.646741  
1 1 1 -24 46  1  o 94.814  4.6129  4970.71    473.722  4673.55    648.584  5310.52    693.564  90.729  6.6464  96.731  6.6605  -6.002167      9.409389  
1 1 1 -24 46  2  o 30.298  8.6541  548.953    298.112  594.357    388.840  484.211    464.318  31.550  10.078  29.950  10.963  1.599554       14.89132  
1 1 1 -24 46  3  o 40.122  3.5958  889.598    154.603  869.160    163.057  1071.49    486.440  39.596  3.8507  41.434  10.748  -1.837730      11.41685  
1 1 1 -24 46  4  o 44.187  3.6471  1078.17    172.986  1099.39    184.252  920.394    502.401  44.573  3.8545  38.316  11.321  6.257511       11.95887  
1 1 1 -24 46  5  o 57.657  3.3240  1825.82    206.696  1838.14    226.960  1765.92    500.430  57.770  3.6459  54.535  8.7694  3.235195       9.497106  
1 1 1 -24 46  6  o 41.964  3.8866  975.997    174.646  948.651    193.217  1098.09    408.271  41.236  4.3937  42.604  9.1227  -1.367561      10.12568  
1 1 1 -24 46  7  o 53.395  3.4867  1569.42    200.536  1656.53    224.693  1228.39    444.578  54.777  3.8109  44.950  9.4324  9.827259       10.17314  
1 1 1 -24 46  8  o 50.367  4.2281  1408.78    228.520  1324.30    267.749  1635.40    438.521  48.524  5.1743  52.784  7.9144  -4.259697      9.455782  
1 1 1 -24 46  9  o 27.865  5.8477  451.348    170.864  550.126    190.776  50.870     384.133  30.809  5.9324  21.557  9.2300  9.251442       10.97208  
1 1 1 -24 46  10 o 36.042  5.0027  736.768    190.023  588.692    214.943  1266.60    406.583  31.676  6.4834  45.869  8.4968  -14.19297      10.68786  
1 1 1 -24 46  11 o 83.682  3.2140  3842.54    291.307  3968.53    334.860  3450.48    590.692  84.886  3.6421  77.066  7.1584  7.819664       8.031689  
1 1 1 -24 46  12 o 55.055  4.0038  1687.36    237.110  1652.88    274.960  1787.40    468.298  54.197  4.7315  54.462  8.1926  -0.2649803     9.460806  
1 1 1 -24 46  13 o 16.604  6.7991  76.948     194.732  47.016     227.762  158.283    375.451  17.009  7.1882  22.417  9.3345  -5.407347      11.78152  
1 1 1 -24 46  14 o 38.474  5.3667  858.011    217.551  827.003    254.750  941.545    418.121  37.182  6.5658  37.575  10.070  -0.3928757     12.02110  
1 1 1 -24 46  15 o 26.019  1.7258  370.477    48.360   450.749    263.775  367.685    49.194   26.719  8.2690  25.915  1.7631  0.8044872      8.454881  
1 1 1 -24 46  16 o 33.451  7.0960  691.430    249.132  824.482    311.177  453.882    415.788  35.933  8.1791  27.156  10.288  8.777325       13.14313  
1 1 1 -24 46  17 o 46.179  7.1771  1312.06    347.322  1312.06    347.322  0.0000     0.0000   46.179  7.1771  ?       ?       0.000000       7.177145  
1 1 1 -24 46  18 o 14.997  7.1114  -271.8654  310.019  -271.8654  310.019  0.0000     0.0000   14.997  7.1114  ?       ?       0.000000       7.111406  
1 1 1 -24 46  19 o 25.320  9.7725  403.866    379.736  403.866    379.736  0.0000     0.0000   25.320  9.7725  ?       ?       0.000000       9.772532  
1 1 1 -24 46  20 o 16.207  7.5848  -187.8453  332.479  -187.8453  332.479  0.0000     0.0000   16.207  7.5848  ?       ?       0.000000       7.584821  
1 1 1 -24 46  21 o 16.184  7.6785  -264.1927  362.467  -264.1927  362.467  0.0000     0.0000   16.184  7.6785  ?       ?       0.000000       7.678457  
1 1 1 -24 47  1  o 132.478 4.7764  9722.15    685.346  10516.82   956.613  8884.15    982.351  136.516 6.4697  124.601 7.3111  11.91442       9.762601  
1 1 1 -24 47  2  o 83.944  3.6146  3865.89    328.642  3818.00    583.492  3888.13    397.728  81.954  6.6303  83.820  4.3963  -1.865578      7.955382  
1 1 1 -24 47  3  o 75.630  3.3519  3132.30    274.575  3053.90    310.945  3409.87    585.066  74.445  3.8697  77.172  7.0785  -2.727112      8.067232  
1 1 1 -24 47  4  o 46.667  3.5095  1200.38    176.087  1242.02    187.730  895.516    507.913  47.432  3.6831  37.779  11.434  9.653561       12.01238  
1 1 1 -24 47  5  o 35.844  4.4862  720.171    170.354  644.899    181.824  1260.97    487.362  33.710  5.1428  45.202  10.197  -11.49203      11.42074  
1 1 1 -24 47  6  o 33.181  4.7680  621.485    166.429  602.375    184.261  706.131    387.803  32.468  5.4315  33.966  9.9207  -1.497898      11.31027  
1 1 1 -24 47  7  o 35.755  4.5754  718.115    173.127  776.060    192.766  476.426    393.687  37.092  4.9197  29.025  10.155  8.066975       11.28420  
1 1 1 -24 47  8  o 22.414  6.3237  292.072    160.191  242.322    176.824  519.825    378.336  20.874  6.8080  29.736  9.9686  -8.862305      12.07152  
1 1 1 -24 47  9  o 26.707  1.6210  388.873    46.670   403.879    235.742  388.261    47.612   26.132  7.7629  26.682  1.6557  -0.5509644     7.937519  
1 1 1 -24 47  10 o 23.215  6.6685  316.022    176.531  311.090    199.032  334.206    382.210  23.162  7.1853  25.909  9.8524  -2.747688      12.19418  
1 1 1 -24 47  11 o 56.056  3.6264  1738.83    218.994  1669.64    247.649  1986.98    469.000  54.721  4.2107  57.931  7.6627  -3.209927      8.743432  
1 1 1 -24 47  12 o 102.027 3.2480  5728.52    358.924  5814.07    416.602  5482.14    707.000  102.513 3.7521  97.075  6.7666  5.438568       7.737202  
1 1 1 -24 47  13 o 45.797  1.9381  1143.27    96.134   794.868    261.321  1197.80    103.384  36.366  6.8866  46.861  2.0369  -10.49465      7.181534  
1 1 1 -24 47  14 o 36.354  5.6348  774.529    214.690  711.785    250.370  948.812    417.277  34.150  7.0040  37.571  10.056  -3.420868      12.25448  
1 1 1 -24 47  15 o 23.833  7.7664  346.553    230.131  400.871    283.362  241.307    394.429  25.449  8.6267  23.532  9.6607  1.917419       12.95178  
1 1 1 -24 47  16 o 25.707  8.8665  413.834    299.589  413.834    299.589  0.0000     0.0000   25.707  8.8665  ?       ?       0.000000       8.866512  
1 1 1 -24 47  17 f 19.083  8.1759  79.417     301.742  79.417     301.742  0.0000     0.0000   19.083  8.1759  ?       ?       0.000000       8.175891  
1 1 1 -24 47  18 o 22.887  8.9565  288.586    322.392  288.586    322.392  0.0000     0.0000   22.887  8.9565  ?       ?       0.000000       8.956509  
1 1 1 -24 47  19 o 28.025  9.5000  544.172    343.639  544.172    343.639  0.0000     0.0000   28.025  9.5000  ?       ?       0.000000       9.499992  
1 1 1 -24 47  20 o 30.206  9.6811  659.376    358.570  659.376    358.570  0.0000     0.0000   30.206  9.6811  ?       ?       0.000000       9.681120  
1 1 1 -24 47  21 o 28.909  10.051  615.185    385.322  615.185    385.322  0.0000     0.0000   28.909  10.051  ?       ?       0.000000       10.05066  
1 1 1 -24 48  1  o 45.882  2.4163  1149.93    119.655  1221.53    430.361  1143.94    124.566  44.958  9.1493  45.744  2.5240  -0.7860832     9.491026  
1 1 1 -24 48  2  o 68.511  3.3006  2569.93    244.919  2457.76    271.034  3069.27    571.872  66.790  3.7620  73.022  7.3295  -6.231682      8.238596  
1 1 1 -24 48  3  o 47.600  6.5531  1300.55    328.895  1270.00    430.603  1343.34    509.556  45.960  8.9722  46.596  10.364  -0.6358223     13.70833  
1 1 1 -24 48  4  o 34.586  3.8764  665.460    142.713  629.858    149.312  1041.68    485.380  33.558  4.2000  40.759  10.816  -7.201229      11.60258  
1 1 1 -24 48  5  f 20.021  5.9770  228.454    139.497  206.851    146.190  448.284    466.348  19.311  6.1807  29.277  10.937  -9.966433      12.56271  
1 1 1 -24 48  6  o 47.763  3.6117  1259.17    185.459  1365.04    206.033  807.051    425.765  49.676  3.8596  36.051  10.356  13.62466       11.05223  
1 1 1 -24 48  7  o 28.340  1.9306  438.711    58.907   614.217    191.697  420.410    61.902   32.705  5.6138  27.720  2.0768  4.984835       5.985673  
1 1 1 -24 48  8  o 16.384  6.2996  107.885    157.344  103.994    174.071  125.263    367.862  16.792  6.5785  22.232  9.2472  -5.440506      11.34845  
1 1 1 -24 48  9  o 34.885  5.7827  701.516    210.842  659.056    247.532  813.749    402.440  33.335  7.0747  36.017  9.9746  -2.681839      12.22880  
1 1 1 -24 48  10 o 32.541  5.4484  609.785    185.242  594.716    208.917  665.196    400.623  31.841  6.2809  32.594  10.208  -0.7525959     11.98535  
1 1 1 -24 48  11 o 85.146  3.1404  3982.60    289.618  4015.36    330.493  3874.20    601.202  85.317  3.5765  81.595  6.8666  3.721222       7.742191  
1 1 1 -24 48  12 o 32.891  5.8522  633.876    200.842  570.998    230.563  831.695    408.951  30.701  7.0785  35.667  10.118  -4.965450      12.34846  
1 1 1 -24 48  13 o 23.732  7.0501  340.720    194.433  395.940    224.047  172.275    391.309  25.407  7.5726  22.705  9.4984  2.702002       12.14756  
1 1 1 -24 48  14 o 53.775  2.2112  1581.47    128.786  1122.22    285.456  1698.84    144.307  43.511  6.2355  55.688  2.3925  -12.17702      6.678710  
1 1 1 -24 48  15 o 60.156  4.4039  2049.66    284.942  2024.70    348.892  2099.67    493.787  59.062  5.5179  58.067  8.0693  0.9947701      9.775538  
1 1 1 -24 48  16 o 26.096  8.8824  432.255    300.424  432.255    300.424  0.0000     0.0000   26.096  8.8824  ?       ?       0.000000       8.882401  
1 1 1 -24 48  17 o 40.912  7.8294  1061.67    334.295  1061.67    334.295  0.0000     0.0000   40.912  7.8294  ?       ?       0.000000       7.829414  
1 1 1 -24 48  18 o 24.739  9.1291  384.139    322.947  384.139    322.947  0.0000     0.0000   24.739  9.1291  ?       ?       0.000000       9.129092  
1 1 1 -24 48  19 o 23.867  9.1987  346.243    336.080  346.243    336.080  0.0000     0.0000   23.867  9.1987  ?       ?       0.000000       9.198740  
1 1 1 -24 48  20 o 28.067  10.192  571.046    400.157  571.046    400.157  0.0000     0.0000   28.067  10.192  ?       ?       0.000000       10.19170  
1 1 1 -24 48  21 o 25.943  9.5756  463.661    355.353  463.661    355.353  0.0000     0.0000   25.943  9.5756  ?       ?       0.000000       9.575641  
1 1 1 -24 49  1  o 100.530 4.6370  5596.17    504.891  5883.58    694.941  5274.87    734.771  101.948 6.3248  95.958  7.1205  5.990356       9.523858  
1 1 1 -24 49  2  o 56.723  5.7956  1819.70    351.066  2254.29    470.068  1271.58    527.916  62.589  7.0574  44.949  10.946  17.64019       13.02364  
1 1 1 -24 49  3  o 22.093  8.5281  208.429    289.216  42.972     372.681  458.945    458.578  21.237  9.0921  29.352  10.869  -8.115269      14.17053  
1 1 1 -24 49  4  o 38.483  3.7141  820.792    152.884  789.672    160.812  1113.26    492.986  37.670  4.0028  42.082  10.771  -4.412128      11.49053  
1 1 1 -24 49  5  o 16.220  5.9214  123.244    135.340  157.975    141.463  -252.0631  465.031  17.525  6.0900  20.171  9.2752  -2.646400      11.09579  
1 1 1 -24 49  6  o 98.959  2.9755  5354.94    318.922  5260.63    361.551  5685.62    677.013  97.936  3.4084  100.149 6.2730  -2.212914      7.139195  
1 1 1 -24 49  7  o 75.830  3.0638  3147.46    251.635  3180.64    284.325  3027.53    540.518  76.121  3.4486  72.506  6.9686  3.614861       7.775252  
1 1 1 -24 49  8  o 15.996  6.2421  95.636     156.248  108.299    172.519  37.844     368.556  16.839  6.5623  20.922  9.0017  -4.083906      11.13977  
1 1 1 -24 49  9  o 9.7619  2.7083  53.633     29.641   246.520    222.384  50.144     29.908   21.560  7.6251  9.4817  2.7510  12.07856       8.106206  
1 1 1 -24 49  10 f 30.263  1.9073  500.434    62.197   635.474    205.335  486.793    65.263   33.007  5.9631  29.827  2.0322  3.179871       6.299844  
1 1 1 -24 49  11 o 33.759  1.8851  622.498    68.653   688.087    205.336  614.244    72.845   34.395  5.7123  33.513  2.0162  0.8815422      6.057714  
1 1 1 -24 49  12 o 60.779  3.8057  2058.31    249.266  2164.25    290.060  1759.14    487.448  62.069  4.3419  53.108  8.7810  8.960979       9.795830  
1 1 1 -24 49  13 o 65.805  3.5873  2410.12    254.716  2468.74    293.834  2232.90    510.928  66.326  4.1105  60.229  8.0324  6.096661       9.023083  
1 1 1 -24 49  14 f 48.989  4.8788  1374.19    255.425  1737.48    309.264  594.576    453.046  54.898  5.2658  30.006  10.852  24.89223       12.06224  
1 1 1 -24 49  15 o 72.355  5.2417  3015.01    407.999  3015.01    407.999  0.0000     0.0000   72.355  5.2417  ?       ?       0.000000       5.241727  
1 1 1 -24 49  16 o 44.197  7.0684  1198.77    326.962  1198.77    326.962  0.0000     0.0000   44.197  7.0684  ?       ?       0.000000       7.068415  
1 1 1 -24 49  17 o 28.353  9.0915  537.624    316.198  537.624    316.198  0.0000     0.0000   28.353  9.0915  ?       ?       0.000000       9.091544  
1 1 1 -24 49  18 o 26.755  9.2728  479.729    327.861  479.729    327.861  0.0000     0.0000   26.755  9.2728  ?       ?       0.000000       9.272757  
1 1 1 -24 49  19 o 22.311  8.9848  264.226    333.519  264.226    333.519  0.0000     0.0000   22.311  8.9848  ?       ?       0.000000       8.984843  
1 1 1 -24 49  20 o 17.833  8.0858  -44.2830   337.512  -44.2830   337.512  0.0000     0.0000   17.833  8.0858  ?       ?       0.000000       8.085763  
1 1 1 -24 50  1  o 78.815  4.8871  3464.11    415.131  3636.16    565.597  3263.18    611.222  79.824  6.6011  74.955  7.6354  4.868851       10.09329  
1 1 1 -24 50  2  o 61.440  5.5388  2127.55    364.620  2565.22    489.149  1580.28    546.985  66.846  6.8530  50.469  10.354  16.37669       12.41623  
1 1 1 -24 50  3  o 69.276  5.1777  2688.11    385.685  2813.03    515.750  2529.61    580.932  70.004  6.8915  65.484  8.3831  4.519562       10.85214  
1 1 1 -24 50  4  o 39.499  3.5971  863.663    152.203  905.173    159.837  459.957    498.466  40.421  3.6916  29.698  11.261  10.72311       11.85104  
1 1 1 -24 50  5  o 29.229  5.0190  487.938    153.167  492.783    161.458  444.369    484.204  29.301  5.2817  29.249  11.097  0.5209541E-01  12.29004  
1 1 1 -24 50  6  o 50.888  3.4908  1428.53    191.238  1435.57    212.585  1398.65    437.868  50.904  3.8851  48.187  8.7103  2.717487       9.537472  
1 1 1 -24 50  7  o 13.975  3.2384  111.305    48.058   550.618    174.816  75.391     49.983   30.943  5.4134  11.703  3.5959  19.23967       6.498829  
1 1 1 -24 50  8  o 32.616  5.2811  609.825    180.183  599.639    202.350  648.824    395.939  32.081  6.0453  32.309  10.153  -0.2280273     11.81629  
1 1 1 -24 50  9  o 53.025  5.9773  1613.56    337.298  1719.57    500.622  1525.43    456.455  52.964  9.0521  50.015  8.7445  2.948761       12.58601  
1 1 1 -24 50  10 o 22.593  6.8044  300.745    180.204  274.639    203.670  394.858    386.707  21.961  7.3135  26.753  9.9663  -4.791794      12.36182  
1 1 1 -24 50  11 o 22.331  6.6103  295.992    171.159  299.471    191.079  281.866    385.013  22.524  7.0490  24.530  9.7287  -2.005732      12.01396  
1 1 1 -24 50  12 o 53.898  3.9845  1627.32    230.957  1821.06    266.618  1044.94    462.267  56.848  4.3635  39.268  10.615  17.58013       11.47704  
1 1 1 -24 50  13 o 24.261  1.9345  323.130    50.411   537.689    278.052  315.838    51.261   29.052  8.3761  23.974  1.9921  5.077793       8.609742  
1 1 1 -24 50  14 o 49.447  5.0729  1406.83    267.840  1562.15    330.611  1110.22    456.876  51.523  6.0389  40.246  10.405  11.27746       12.03023  
1 1 1 -24 50  15 o 16.754  7.4830  -43.7168   277.110  -43.7168   277.110  0.0000     0.0000   16.754  7.4830  ?       ?       0.000000       7.483008  
1 1 1 -24 50  16 o 25.440  9.2486  401.737    329.663  401.737    329.663  0.0000     0.0000   25.440  9.2486  ?       ?       0.000000       9.248554  
1 1 1 -24 50  17 o 34.023  8.7571  774.697    324.605  774.697    324.605  0.0000     0.0000   34.023  8.7571  ?       ?       0.000000       8.757067  
1 1 1 -24 50  18 o 27.871  9.3050  531.839    329.631  531.839    329.631  0.0000     0.0000   27.871  9.3050  ?       ?       0.000000       9.305046  
1 1 1 -24 50  19 o 32.762  9.3812  759.934    349.868  759.934    349.868  0.0000     0.0000   32.762  9.3812  ?       ?       0.000000       9.381246  
1 1 1 -24 50  20 o 20.184  8.6902  127.230    344.011  127.230    344.011  0.0000     0.0000   20.184  8.6902  ?       ?       0.000000       8.690249  
1 1 1 -24 51  1  o 66.076  5.2718  2453.96    374.147  2349.52    504.473  2581.64    557.783  63.503  7.4779  66.323  7.9216  -2.819801      10.89363  
1 1 1 -24 51  2  o 51.976  6.2031  1545.58    342.303  1824.64    456.238  1186.20    517.757  55.737  7.7687  43.111  11.040  12.62586       13.49960  
1 1 1 -24 51  3  o 69.339  3.3343  2636.83    250.415  3076.32    523.212  2506.25    285.202  73.277  6.6652  67.329  3.9280  5.948135       7.736522  
1 1 1 -24 51  4  o 96.862  4.7147  5211.38    494.625  5807.62    669.962  4497.00    733.338  101.215 6.1403  87.828  7.7899  13.38703       9.918968  
1 1 1 -24 51  5  o 87.202  2.9503  4160.19    278.652  4017.46    306.562  4838.74    668.407  85.582  3.3072  91.880  6.7642  -6.297234      7.529424  
1 1 1 -24 51  6  o 64.258  3.0829  2261.80    214.563  2261.86    238.976  2261.53    487.290  64.077  3.4561  62.266  7.3683  1.810596       8.138638  
1 1 1 -24 51  7  o 48.019  3.7039  1277.54    191.150  1310.49    212.662  1138.93    436.144  48.521  4.0846  42.716  9.6541  5.805653       10.48258  
1 1 1 -24 51  8  o 37.437  4.6613  792.050    184.911  837.186    207.275  616.096    409.249  38.345  5.1185  31.496  10.361  6.848732       11.55662  
1 1 1 -24 51  9  o 42.746  5.0065  1038.15    227.401  919.100    268.209  1342.52    428.866  39.574  6.4819  46.656  8.8097  -7.082561      10.93732  
1 1 1 -24 51  10 o 17.608  6.3793  155.505    156.649  173.717    172.082  67.418     378.454  18.482  6.6876  21.200  9.1215  -2.718187      11.31044  
1 1 1 -24 51  11 o 17.098  6.4883  132.688    165.544  133.811    183.880  127.880    380.295  17.595  6.7978  21.931  9.2794  -4.335905      11.50291  
1 1 1 -24 51  12 o 37.666  5.5682  828.103    220.312  929.274    258.941  562.854    419.274  39.592  6.2454  29.544  10.468  10.04782       12.18925  
1 1 1 -24 51  13 o 30.473  6.9598  569.935    224.676  464.193    267.710  821.845    413.202  27.120  8.3201  34.764  10.265  -7.644367      13.21365  
1 1 1 -24 51  14 f 56.478  5.5624  1853.87    335.850  1853.87    335.850  0.0000     0.0000   56.478  5.5624  ?       ?       0.000000       5.562450  
1 1 1 -24 51  15 o 31.240  8.3498  633.168    287.947  633.168    287.947  0.0000     0.0000   31.240  8.3498  ?       ?       0.000000       8.349846  
1 1 1 -24 51  16 o 18.252  8.0818  -1.0483    316.213  -1.0483    316.213  0.0000     0.0000   18.252  8.0818  ?       ?       0.000000       8.081786  
1 1 1 -24 51  17 o 45.510  7.1682  1288.44    341.643  1288.44    341.643  0.0000     0.0000   45.510  7.1682  ?       ?       0.000000       7.168197  
1 1 1 -24 51  18 o 49.291  7.0407  1513.01    365.201  1513.01    365.201  0.0000     0.0000   49.291  7.0407  ?       ?       0.000000       7.040652  
1 1 1 -24 51  19 o 25.358  9.3211  427.259    336.187  427.259    336.187  0.0000     0.0000   25.358  9.3211  ?       ?       0.000000       9.321140  
1 1 1 -24 51  20 o 17.553  8.0730  -100.4324  352.553  -100.4324  352.553  0.0000     0.0000   17.553  8.0730  ?       ?       0.000000       8.072957  
1 1 1 -24 52  1  o 24.012  8.7290  301.232    293.662  482.418    387.016  55.340     450.857  28.859  10.070  22.989  9.9233  5.869972       14.13816  
1 1 1 -24 52  2  o 33.756  2.0179  622.282    73.439   725.778    406.054  618.783    74.670   34.086  10.202  33.655  2.0583  0.4301796      10.40803  
1 1 1 -24 52  3  o 75.846  5.0165  3221.71    409.772  2722.99    546.671  3861.28    619.068  68.314  7.5124  81.788  7.0575  -13.47425      10.30754  
1 1 1 -24 52  4  o 46.747  2.9554  1200.54    148.865  2001.23    445.437  1099.87    157.946  58.645  7.1614  44.659  3.2885  13.98698       7.880362  
1 1 1 -24 52  5  o 39.439  3.7375  864.147    157.744  810.605    166.199  1350.60    500.954  38.090  4.0927  46.302  10.259  -8.212070      11.04527  
1 1 1 -24 52  6  o 37.838  4.3038  803.196    173.239  832.473    187.044  626.534    459.464  38.443  4.5825  31.960  10.983  6.482016       11.90049  
1 1 1 -24 52  7  o 67.542  3.1585  2503.95    231.061  2453.12    258.863  2703.19    512.497  66.628  3.6005  68.101  7.0502  -1.473579      7.916345  
1 1 1 -24 52  8  f 19.556  1.9078  210.161    39.895   367.681    198.380  203.522    40.727   24.803  7.0511  19.230  1.9838  5.572147       7.324856  
1 1 1 -24 52  9  o 31.487  6.1062  584.519    200.726  535.739    231.272  733.465    404.121  29.705  7.2515  33.644  10.203  -3.939325      12.51706  
1 1 1 -24 52  10 o 15.500  6.2842  72.354     164.355  28.389     182.905  256.717    374.552  15.150  6.4242  23.886  9.5558  -8.735810      11.51448  
1 1 1 -24 52  11 o 45.282  2.3475  1124.80    114.737  1324.71    239.241  1065.08    130.755  48.304  4.6295  43.952  2.7607  4.351974       5.390145  
1 1 1 -24 52  12 o 31.523  6.3043  596.766    207.725  520.688    240.639  819.212    411.482  28.874  7.5933  34.778  10.237  -5.903578      12.74552  
1 1 1 -24 52  13 o 19.560  7.9494  143.742    263.698  143.742    263.698  0.0000     0.0000   19.560  7.9494  ?       ?       0.000000       7.949390  
1 1 1 -24 52  14 o 16.251  7.3432  -79.3531   275.632  -79.3531   275.632  0.0000     0.0000   16.251  7.3432  ?       ?       0.000000       7.343245  
1 1 1 -24 52  15 o 28.572  9.3004  540.261    330.060  540.261    330.060  0.0000     0.0000   28.572  9.3004  ?       ?       0.000000       9.300447  
1 1 1 -24 52  16 o 21.253  8.4007  224.103    286.180  224.103    286.180  0.0000     0.0000   21.253  8.4007  ?       ?       0.000000       8.400656  
1 1 1 -24 52  17 o 40.028  9.1259  1084.88    386.866  1084.88    386.866  0.0000     0.0000   40.028  9.1259  ?       ?       0.000000       9.125902  
1 1 1 -24 52  18 o 19.520  8.3565  109.089    314.776  109.089    314.776  0.0000     0.0000   19.520  8.3565  ?       ?       0.000000       8.356501  
1 1 1 -24 52  19 o 31.529  9.4393  705.750    347.550  705.750    347.550  0.0000     0.0000   31.529  9.4393  ?       ?       0.000000       9.439318  
1 1 1 -24 53  1  o 42.493  7.2621  1066.98    322.223  1627.75    428.926  340.560    488.188  52.383  7.7977  27.407  10.928  24.97611       13.42483  
1 1 1 -24 53  2  o 39.655  7.7078  940.724    319.125  990.929    421.884  873.577    487.903  39.681  9.8597  36.790  11.222  2.891197       14.93845  
1 1 1 -24 53  3  o 43.413  7.2140  1110.99    327.298  943.958    428.931  1343.79    506.392  38.592  10.132  46.025  10.403  -7.433258      14.52196  
1 1 1 -24 53  4  o 62.620  5.4936  2220.95    368.834  2100.79    484.482  2386.58    568.832  59.683  7.6724  63.071  8.5471  -3.387993      11.48557  
1 1 1 -24 53  5  o 28.794  4.7519  473.459    143.028  420.188    149.588  1041.15    488.328  26.927  5.3178  40.031  10.948  -13.10453      12.17072  
1 1 1 -24 53  6  o 12.688  5.4775  -5.6691    137.402  -29.6801   145.340  196.286    421.510  12.535  5.5182  24.097  9.9503  -11.56150      11.37802  
1 1 1 -24 53  7  o 45.108  3.7695  1132.14    182.480  1151.41    201.742  1045.43    427.926  45.366  4.1518  40.449  9.8576  4.916580       10.69630  
1 1 1 -24 53  8  o 60.396  3.4632  2018.48    225.602  2014.39    255.100  2033.17    483.305  60.148  3.9375  58.159  7.8749  1.988873       8.804439  
1 1 1 -24 53  9  o 14.866  6.4284  0.8174     189.886  -47.5938   220.462  139.944    373.737  15.120  6.7189  22.058  9.2587  -6.938161      11.43971  
1 1 1 -24 53  10 o 17.876  6.4780  163.481    161.547  130.181    178.127  317.791    383.450  17.332  6.6921  24.925  9.7641  -7.592899      11.83730  
1 1 1 -24 53  11 o 20.935  7.0634  252.325    189.959  185.522    216.917  472.099    393.444  19.549  7.4250  27.699  10.098  -8.149345      12.53437  
1 1 1 -24 53  12 o 24.361  7.1549  363.540    201.210  437.252    233.001  147.345    399.034  26.490  7.6763  22.334  9.4806  4.156015       12.19865  
1 1 1 -24 53  13 o 45.328  6.1414  1215.99    293.748  1215.99    293.748  0.0000     0.0000   45.328  6.1414  ?       ?       0.000000       6.141421  
1 1 1 -24 53  14 o 35.144  7.7860  780.715    288.573  780.715    288.573  0.0000     0.0000   35.144  7.7860  ?       ?       0.000000       7.786041  
1 1 1 -24 53  15 o 25.963  8.5051  431.411    275.858  431.411    275.858  0.0000     0.0000   25.963  8.5051  ?       ?       0.000000       8.505086  
1 1 1 -24 53  16 f 16.239  7.3397  -67.6471   275.608  -67.6471   275.608  0.0000     0.0000   16.239  7.3397  ?       ?       0.000000       7.339690  
1 1 1 -24 53  17 o 19.815  8.5820  89.965     339.508  89.965     339.508  0.0000     0.0000   19.815  8.5820  ?       ?       0.000000       8.582033  
1 1 1 -24 53  18 o 26.314  9.2316  468.908    325.431  468.908    325.431  0.0000     0.0000   26.314  9.2316  ?       ?       0.000000       9.231605  
1 1 1 -24 53  19 o 25.441  9.4057  429.346    343.138  429.346    343.138  0.0000     0.0000   25.441  9.4057  ?       ?       0.000000       9.405727  
1 1 1 -24 54  1  o 21.685  7.8825  243.270    239.458  339.105    282.580  -0.8344    450.994  24.580  8.6035  22.117  9.7285  2.462934       12.98712  
1 1 1 -24 54  2  o 30.965  8.8062  592.372    309.370  720.872    408.864  420.264    473.181  33.679  10.273  28.308  10.914  5.371208       14.98820  
1 1 1 -24 54  3  o 26.491  8.9294  411.478    303.582  286.829    395.452  590.362    473.734  25.103  9.8901  31.197  11.119  -6.093977      14.88099  
1 1 1 -24 54  4  o 36.905  2.3310  746.067    92.697   1052.92    411.725  729.682    95.140   40.923  9.4757  36.479  2.4217  4.444176       9.780220  
1 1 1 -24 54  5  o 18.642  5.6182  199.371    122.820  167.775    127.091  645.840    477.740  17.482  5.7751  32.102  11.190  -14.61990      12.59195  
1 1 1 -24 54  6  o 13.905  5.6964  46.454     136.771  26.072     142.761  274.166    477.182  13.634  5.7225  25.976  10.641  -12.34199      12.08181  
1 1 1 -24 54  7  o 33.184  4.8217  629.328    168.228  552.528    184.854  999.583    405.881  30.718  5.7679  39.531  9.5799  -8.812841      11.18228  
1 1 1 -24 54  8  o 28.711  5.9077  487.318    177.586  452.224    198.437  628.473    397.975  27.367  6.7393  31.235  10.215  -3.868139      12.23763  
1 1 1 -24 54  9  o 39.139  2.4982  842.161    105.349  1305.49    269.112  758.305    114.487  47.663  5.3028  37.039  2.8763  10.62373       6.032648  
1 1 1 -24 54  10 o 93.080  3.0761  4775.84    310.122  4559.02    352.970  5509.78    649.410  90.651  3.5949  97.242  6.1982  -6.590836      7.165248  
1 1 1 -24 54  11 o 53.520  4.2986  1616.17    247.080  1672.58    290.507  1468.65    469.777  54.066  5.0181  47.593  9.4467  6.473373       10.69685  
1 1 1 -24 54  12 o 46.799  5.6251  1276.17    279.416  1276.17    279.416  0.0000     0.0000   46.799  5.6251  ?       ?       0.000000       5.625134  
1 1 1 -24 54  13 o 51.738  5.1112  1542.37    282.676  1542.37    282.676  0.0000     0.0000   51.738  5.1112  ?       ?       0.000000       5.111184  
1 1 1 -24 54  14 o 35.048  8.0049  783.734    297.205  783.734    297.205  0.0000     0.0000   35.048  8.0049  ?       ?       0.000000       8.004907  
1 1 1 -24 54  15 o 32.484  8.1578  685.678    286.625  685.678    286.625  0.0000     0.0000   32.484  8.1578  ?       ?       0.000000       8.157805  
1 1 1 -24 54  16 o 23.940  8.6415  354.129    287.064  354.129    287.064  0.0000     0.0000   23.940  8.6415  ?       ?       0.000000       8.641453  
1 1 1 -24 54  17 f 23.908  9.4547  330.247    362.649  330.247    362.649  0.0000     0.0000   23.908  9.4547  ?       ?       0.000000       9.454655  
1 1 1 -24 54  18 o 34.965  8.8988  837.733    337.851  837.733    337.851  0.0000     0.0000   34.965  8.8988  ?       ?       0.000000       8.898759  
1 1 1 -24 54  19 o 45.287  7.8840  1329.84    372.663  1329.84    372.663  0.0000     0.0000   45.287  7.8840  ?       ?       0.000000       7.884007  
1 1 1 -24 55  1  o 69.301  3.2578  2642.12    244.528  2680.44    270.752  2472.55    569.551  69.593  3.6044  63.886  8.4376  5.707317       9.175180  
1 1 1 -24 55  2  o 54.155  6.0915  1692.48    351.096  1670.20    470.310  1720.52    527.677  52.279  8.6054  52.331  9.6659  -0.5194473E-01 12.94152  
1 1 1 -24 55  3  o 74.645  5.1026  3146.49    410.065  3137.57    551.468  3157.53    613.283  73.213  7.0413  72.753  7.9103  0.4597321      10.59020  
1 1 1 -24 55  4  f 44.403  2.3837  1079.87    114.220  1071.53    117.131  1241.46    515.563  44.216  2.4555  43.350  10.971  0.8656883      11.24250  
1 1 1 -24 55  5  o 36.814  4.7726  770.804    185.821  665.452    199.932  1439.07    503.543  33.842  5.6540  47.313  10.132  -13.47111      11.60247  
1 1 1 -24 55  6  o 21.657  1.3327  255.687    31.109   -42.6984   138.540  271.532    31.924   11.921  5.3101  22.321  1.3265  -10.40005      5.473249  
1 1 1 -24 55  7  o 54.938  3.4034  1672.35    201.517  1625.86    223.677  1872.71    464.357  53.996  3.8498  55.550  7.9441  -1.553421      8.827811  
1 1 1 -24 55  8  o 68.937  3.2474  2622.09    242.471  2733.28    273.893  2219.19    521.374  70.142  3.6176  60.140  8.2193  10.00181       8.980214  
1 1 1 -24 55  9  o 46.323  3.9972  1204.68    198.586  1136.88    222.689  1468.01    438.861  44.706  4.6678  48.296  8.7102  -3.589657      9.882061  
1 1 1 -24 55  10 o 17.647  7.4569  62.109     245.059  135.565    316.197  -48.3757   387.790  20.620  8.5747  19.680  8.8165  0.9393311      12.29857  
1 1 1 -24 55  11 o 23.807  7.1708  345.666    200.126  345.666    200.126  0.0000     0.0000   23.807  7.1708  ?       ?       0.000000       7.170788  
1 1 1 -24 55  12 o 70.265  4.6753  2805.31    353.776  2805.31    353.776  0.0000     0.0000   70.265  4.6753  ?       ?       0.000000       4.675274  
1 1 1 -24 55  13 o 27.750  8.3826  494.802    273.195  494.802    273.195  0.0000     0.0000   27.750  8.3826  ?       ?       0.000000       8.382649  
1 1 1 -24 55  14 o 42.480  6.4702  1088.20    288.291  1088.20    288.291  0.0000     0.0000   42.480  6.4702  ?       ?       0.000000       6.470172  
1 1 1 -24 55  15 o 23.334  8.6714  320.716    292.397  320.716    292.397  0.0000     0.0000   23.334  8.6714  ?       ?       0.000000       8.671429  
1 1 1 -24 55  16 o 19.505  8.3170  106.108    309.572  106.108    309.572  0.0000     0.0000   19.505  8.3170  ?       ?       0.000000       8.316966  
1 1 1 -24 55  17 o 26.954  9.0443  492.249    311.428  492.249    311.428  0.0000     0.0000   26.954  9.0443  ?       ?       0.000000       9.044258  
1 1 1 -24 55  18 o 23.318  9.1166  318.192    333.775  318.192    333.775  0.0000     0.0000   23.318  9.1166  ?       ?       0.000000       9.116570  
1 1 1 -24 56  1  o 46.666  2.4050  1193.40    121.145  1194.79    124.888  1171.33    498.540  46.676  2.4792  41.914  10.885  4.762402       11.16354  
1 1 1 -24 56  2  o 37.142  8.2324  852.990    322.480  1089.47    429.364  546.955    488.437  41.151  9.7777  30.132  11.206  11.01910       14.87175  
1 1 1 -24 56  3  o 99.332  4.7561  5535.98    511.695  6095.34    702.586  4904.14    746.720  102.686 6.3482  90.772  7.6669  11.91460       9.953964  
1 1 1 -24 56  4  o 26.427  2.2741  384.121    64.457   785.194    399.383  373.395    65.313   34.727  10.046  26.041  2.3407  8.686781       10.31530  
1 1 1 -24 56  5  o 54.146  6.0825  1701.79    350.540  1708.26    456.261  1692.46    547.628  52.852  8.2390  51.064  10.258  1.788528       13.15674  
1 1 1 -24 56  6  o 20.895  6.0010  257.813    142.971  252.185    149.620  316.955    484.994  20.709  6.1918  26.345  10.752  -5.635303      12.40749  
1 1 1 -24 56  7  o 20.066  6.1224  235.819    145.200  271.820    156.731  17.821     385.678  21.401  6.3230  20.535  9.0155  0.8662758      11.01178  
1 1 1 -24 56  8  o 34.270  5.0364  677.804    181.364  749.578    201.623  373.536    415.132  35.938  5.3424  26.204  10.189  9.733521       11.50434  
1 1 1 -24 56  9  o 19.921  6.8771  221.972    180.252  237.747    202.818  162.679    393.207  20.681  7.2854  22.534  9.4796  -1.853806      11.95579  
1 1 1 -24 56  10 o 20.517  8.5702  128.639    317.892  128.639    317.892  0.0000     0.0000   20.517  8.5702  ?       ?       0.000000       8.570222  
1 1 1 -24 56  11 o 32.114  7.2808  638.138    247.409  638.138    247.409  0.0000     0.0000   32.114  7.2808  ?       ?       0.000000       7.280841  
1 1 1 -24 56  12 o 23.079  8.0737  315.004    248.829  315.004    248.829  0.0000     0.0000   23.079  8.0737  ?       ?       0.000000       8.073681  
1 1 1 -24 56  13 o 25.228  7.7004  399.276    229.659  399.276    229.659  0.0000     0.0000   25.228  7.7004  ?       ?       0.000000       7.700378  
1 1 1 -24 56  14 o 14.728  6.7970  -136.6322  252.976  -136.6322  252.976  0.0000     0.0000   14.728  6.7970  ?       ?       0.000000       6.797047  
1 1 1 -24 56  15 o 26.758  8.2075  466.133    260.529  466.133    260.529  0.0000     0.0000   26.758  8.2075  ?       ?       0.000000       8.207540  
1 1 1 -24 56  16 o 55.837  5.6503  1845.33    337.015  1845.33    337.015  0.0000     0.0000   55.837  5.6503  ?       ?       0.000000       5.650313  
1 1 1 -24 56  17 o 16.859  7.5240  -19.9680   279.605  -19.9680   279.605  0.0000     0.0000   16.859  7.5240  ?       ?       0.000000       7.524015  
1 1 1 -24 56  18 o 24.311  8.9750  376.120    312.204  376.120    312.204  0.0000     0.0000   24.311  8.9750  ?       ?       0.000000       8.974993  
1 1 1 -24 57  1  o 61.015  2.9812  2047.00    197.015  2052.15    211.513  2013.28    541.465  60.937  3.2161  56.612  9.1421  4.324379       9.691309  
1 1 1 -24 57  2  o 80.869  4.9686  3702.74    433.097  3901.84    591.140  3472.03    636.336  81.555  6.7530  75.900  7.8543  5.655243       10.35822  
1 1 1 -24 57  3  o 44.457  7.2546  1187.96    337.276  1403.83    446.573  901.333    514.585  47.183  9.0679  36.230  11.596  10.95273       14.72059  
1 1 1 -24 57  4  o 40.471  7.7533  1002.68    327.483  1266.93    428.984  633.584    506.990  44.655  9.1764  31.398  11.461  13.25670       14.68196  
1 1 1 -24 57  5  o 56.118  5.9442  1828.25    355.796  1541.70    462.820  2242.30    556.331  49.466  8.9687  59.961  8.8307  -10.49527      12.58641  
1 1 1 -24 57  6  o 28.858  1.0676  451.918    33.368   63.977     141.279  474.838    34.340   14.464  5.8396  29.580  1.0718  -15.11671      5.937131  
1 1 1 -24 57  7  o 19.013  6.1919  206.558    146.291  185.561    157.995  332.736    387.307  18.480  6.4352  25.194  9.8287  -6.713984      11.74795  
1 1 1 -24 57  8  o 40.013  4.9831  919.420    211.278  769.441    242.637  1389.74    429.675  35.862  6.4854  46.870  8.7867  -11.00834      10.92097  
1 1 1 -24 57  9  o 21.758  7.3842  274.642    207.617  274.642    207.617  0.0000     0.0000   21.758  7.3842  ?       ?       0.000000       7.384151  
1 1 1 -24 57  10 o 50.580  7.5428  1563.41    400.585  1563.41    400.585  0.0000     0.0000   50.580  7.5428  ?       ?       0.000000       7.542849  
1 1 1 -24 57  11 f 51.465  5.2980  1530.79    291.100  1530.79    291.100  0.0000     0.0000   51.465  5.2980  ?       ?       0.000000       5.297999  
1 1 1 -24 57  12 o 58.848  5.4128  2007.80    341.139  2007.80    341.139  0.0000     0.0000   58.848  5.4128  ?       ?       0.000000       5.412842  
1 1 1 -24 57  13 o 39.726  7.0674  971.239    292.949  971.239    292.949  0.0000     0.0000   39.726  7.0674  ?       ?       0.000000       7.067424  
1 1 1 -24 57  14 o 19.073  7.6644  153.497    242.134  153.497    242.134  0.0000     0.0000   19.073  7.6644  ?       ?       0.000000       7.664426  
1 1 1 -24 57  15 o 21.471  8.0319  259.911    251.670  259.911    251.670  0.0000     0.0000   21.471  8.0319  ?       ?       0.000000       8.031883  
1 1 1 -24 57  16 o 22.711  8.4829  306.745    280.518  306.745    280.518  0.0000     0.0000   22.711  8.4829  ?       ?       0.000000       8.482855  
1 1 1 -24 57  17 o 24.054  8.6477  366.700    287.147  366.700    287.147  0.0000     0.0000   24.054  8.6477  ?       ?       0.000000       8.647710  
1 1 1 -24 58  1  o 32.277  1.4780  566.426    51.670   572.535    51.996   84.684     461.716  32.450  1.4794  22.841  9.9500  9.609268       10.05941  
1 1 1 -24 58  2  o 21.657  8.5801  207.293    299.173  161.686    394.879  268.747    458.375  22.652  9.5129  25.184  10.385  -2.531891      14.08385  
1 1 1 -24 58  3  o 17.045  7.6389  -67.2888   291.436  23.397     378.164  -199.9220  457.336  20.434  8.9503  19.805  9.1400  0.6290016      12.79249  
1 1 1 -24 58  4  f 59.766  5.1824  2041.36    332.147  1963.27    486.796  2109.38    454.336  56.498  8.1942  59.361  7.2149  -2.862820      10.91786  
1 1 1 -24 58  5  o ?       ?       -97.1791   26.087   -99.4251   26.125   669.135    482.573  ?       ?       31.760  11.233  0.000000       11.23251  
1 1 1 -24 58  6  o 26.183  5.2973  402.884    145.067  368.322    151.702  772.222    495.920  24.871  5.7470  33.558  11.412  -8.686918      12.77763  
1 1 1 -24 58  7  o 19.863  6.5022  226.973    161.241  210.693    173.020  334.481    444.612  19.491  6.7372  25.878  10.391  -6.386637      12.38358  
1 1 1 -24 58  8  o 13.829  6.2009  -59.2726   192.301  -59.2726   192.301  0.0000     0.0000   13.829  6.2009  ?       ?       0.000000       6.200931  
1 1 1 -24 58  9  o 58.030  4.7556  1915.67    296.278  1915.67    296.278  0.0000     0.0000   58.030  4.7556  ?       ?       0.000000       4.755599  
1 1 1 -24 58  10 o 54.359  7.5829  1808.90    434.300  1808.90    434.300  0.0000     0.0000   54.359  7.5829  ?       ?       0.000000       7.582910  
1 1 1 -24 58  11 o 27.916  8.1541  496.747    261.974  496.747    261.974  0.0000     0.0000   27.916  8.1541  ?       ?       0.000000       8.154063  
1 1 1 -24 58  12 o 51.886  5.2261  1558.98    289.700  1558.98    289.700  0.0000     0.0000   51.886  5.2261  ?       ?       0.000000       5.226104  
1 1 1 -24 58  13 o 42.305  6.9724  1098.37    308.346  1098.37    308.346  0.0000     0.0000   42.305  6.9724  ?       ?       0.000000       6.972427  
1 1 1 -24 58  14 o 45.512  6.6351  1260.71    317.453  1260.71    317.453  0.0000     0.0000   45.512  6.6351  ?       ?       0.000000       6.635131  
1 1 1 -24 58  15 o 44.678  6.8468  1230.11    320.757  1230.11    320.757  0.0000     0.0000   44.678  6.8468  ?       ?       0.000000       6.846777  
1 1 1 -24 58  16 o 44.465  6.6422  1215.22    310.085  1215.22    310.085  0.0000     0.0000   44.465  6.6422  ?       ?       0.000000       6.642183  
1 1 1 -24 58  17 o 20.165  8.2498  177.642    286.383  177.642    286.383  0.0000     0.0000   20.165  8.2498  ?       ?       0.000000       8.249779  
1 1 1 -24 59  1  o 36.699  1.6759  733.197    66.615   743.355    67.302   242.773    467.635  36.951  1.6816  24.865  10.391  12.08607       10.52644  
1 1 1 -24 59  2  o 29.185  8.9644  543.404    310.671  562.219    410.728  518.245    474.947  29.605  10.372  29.086  11.001  0.5190697      15.11975  
1 1 1 -24 59  3  o 34.996  11.411  848.927    496.808  0.0000     0.0000   848.927    496.808  ?       ?       34.996  11.411  0.000000       11.41134  
1 1 1 -24 59  4  o 25.460  10.584  271.278    481.550  0.0000     0.0000   271.278    481.550  ?       ?       25.460  10.584  0.000000       10.58414  
1 1 1 -24 59  5  o 21.799  9.7633  -27.9305   475.262  0.0000     0.0000   -27.9305   475.262  ?       ?       21.799  9.7633  0.000000       9.763313  
1 1 1 -24 59  6  o 49.693  2.6773  1359.10    143.568  0.0000     0.0000   1359.10    143.568  ?       ?       49.693  2.6773  0.000000       2.677326  
1 1 1 -24 59  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 59  8  o 70.108  4.2486  2764.76    321.088  2764.76    321.088  0.0000     0.0000   70.108  4.2486  ?       ?       0.000000       4.248553  
1 1 1 -24 59  9  o 51.672  4.9257  1528.21    272.335  1528.21    272.335  0.0000     0.0000   51.672  4.9257  ?       ?       0.000000       4.925694  
1 1 1 -24 59  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 59  11 o 36.666  7.0264  825.315    268.882  825.315    268.882  0.0000     0.0000   36.666  7.0264  ?       ?       0.000000       7.026361  
1 1 1 -24 59  12 o 40.840  7.0468  1025.33    300.444  1025.33    300.444  0.0000     0.0000   40.840  7.0468  ?       ?       0.000000       7.046789  
1 1 1 -24 59  13 o 40.323  7.6344  1024.57    321.216  1024.57    321.216  0.0000     0.0000   40.323  7.6344  ?       ?       0.000000       7.634387  
1 1 1 -24 59  14 f 23.608  8.5931  338.539    284.715  338.539    284.715  0.0000     0.0000   23.608  8.5931  ?       ?       0.000000       8.593085  
1 1 1 -24 59  15 o 26.634  8.5550  469.888    279.887  469.888    279.887  0.0000     0.0000   26.634  8.5550  ?       ?       0.000000       8.555009  
1 1 1 -24 59  16 o 16.095  7.4409  -140.7864  305.070  -140.7864  305.070  0.0000     0.0000   16.095  7.4409  ?       ?       0.000000       7.440868  
1 1 1 -24 60  1  f 28.898  10.874  514.364    462.628  0.0000     0.0000   514.364    462.628  ?       ?       28.898  10.874  0.000000       10.87413  
1 1 1 -24 60  2  f 21.087  9.4599  -42.4488   448.122  0.0000     0.0000   -42.4488   448.122  ?       ?       21.087  9.4599  0.000000       9.459857  
1 1 1 -24 60  3  o 42.688  11.108  1256.66    518.501  0.0000     0.0000   1256.66    518.501  ?       ?       42.688  11.108  0.000000       11.10774  
1 1 1 -24 60  4  o 38.471  11.523  1042.06    517.860  0.0000     0.0000   1042.06    517.860  ?       ?       38.471  11.523  0.000000       11.52331  
1 1 1 -24 60  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 60  11 o 47.274  5.6719  1311.87    284.616  1311.87    284.616  0.0000     0.0000   47.274  5.6719  ?       ?       0.000000       5.671897  
1 1 1 -24 60  12 o 57.632  5.1649  1923.59    318.985  1923.59    318.985  0.0000     0.0000   57.632  5.1649  ?       ?       0.000000       5.164947  
1 1 1 -24 60  13 o 22.478  8.3962  289.489    274.817  289.489    274.817  0.0000     0.0000   22.478  8.3962  ?       ?       0.000000       8.396151  
1 1 1 -24 60  14 o 21.687  8.5290  244.776    293.598  244.776    293.598  0.0000     0.0000   21.687  8.5290  ?       ?       0.000000       8.528989  
1 1 1 -24 60  15 o 25.807  9.4160  433.130    342.152  433.130    342.152  0.0000     0.0000   25.807  9.4160  ?       ?       0.000000       9.415997  
1 1 1 -24 60  16 o 20.029  8.5339  123.864    325.501  123.864    325.501  0.0000     0.0000   20.029  8.5339  ?       ?       0.000000       8.533892  
1 1 1 -24 61  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 61  15 o 30.340  11.062  673.237    472.059  673.237    472.059  0.0000     0.0000   30.340  11.062  ?       ?       0.000000       11.06152  
1 1 1 -24 62  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 62  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 63  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 64  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 65  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 66  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 67  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 68  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 69  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 70  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 71  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 72  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 72  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 72  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -24 72  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 0   1  o 59.430  5.0070  1960.62    317.032  1960.62    317.032  1960.62    317.032  59.430  5.0070  59.430  5.0070  -0.000000      0.000000  
1 1 1 -23 0   2  o 94.523  4.3710  4884.08    445.317  4884.08    445.317  4884.08    445.317  94.523  4.3710  94.523  4.3710  -0.000000      0.000000  
1 1 1 -23 0   3  o 217.211 5.9070  25749.09   1387.38  25749.09   1387.38  25749.09   1387.38  217.211 5.9070  217.211 5.9070  0.000000       0.000000  
1 1 1 -23 0   4  o 227.675 6.1185  28302.59   1506.33  28302.59   1506.33  28302.59   1506.33  227.675 6.1185  227.675 6.1185  0.000000       0.000000  
1 1 1 -23 0   5  o 112.774 4.4692  6942.77    543.954  6942.77    543.954  6942.77    543.954  112.774 4.4692  112.774 4.4692  0.000000       0.000000  
1 1 1 -23 0   6  o 44.618  7.2900  1169.25    324.047  1169.25    324.047  1169.25    324.047  44.618  7.2900  44.618  7.2900  -0.000000      0.000000  
1 1 1 -23 0   7  o 21.636  9.8298  373.247    249.185  373.247    249.185  373.247    249.185  21.636  9.8298  21.636  9.8298  0.000000       0.000000  
1 1 1 -23 0   8  o 15.350  9.0212  151.486    253.869  151.486    253.869  151.486    253.869  15.350  9.0212  15.350  9.0212  -0.000000      0.000000  
1 1 1 -23 0   9  o 10.764  7.2562  -106.6446  244.342  -106.6446  244.342  -106.6446  244.342  10.764  7.2562  10.764  7.2562  -0.000000      0.000000  
1 1 1 -23 0   10 o 27.510  9.7567  546.855    264.627  546.855    264.627  546.855    264.627  27.510  9.7567  27.510  9.7567  -0.000000      0.000000  
1 1 1 -23 0   11 o 87.949  4.6039  4244.47    435.808  4244.47    435.808  4244.47    435.808  87.949  4.6039  87.949  4.6039  -0.000000      0.000000  
1 1 1 -23 0   12 o 54.295  6.2553  1674.08    355.169  1674.08    355.169  1674.08    355.169  54.295  6.2553  54.295  6.2553  0.000000       0.000000  
1 1 1 -23 0   13 o 50.114  4.8758  1407.01    258.898  1407.01    258.898  1407.01    258.898  50.114  4.8758  50.114  4.8758  -0.000000      0.000000  
1 1 1 -23 0   14 f 15.513  8.9010  172.120    237.859  172.120    237.859  172.120    237.859  15.513  8.9010  15.513  8.9010  -0.000000      0.000000  
1 1 1 -23 0   15 o 116.703 4.4393  7456.94    559.297  7456.94    559.297  7456.94    559.297  116.703 4.4393  116.703 4.4393  -0.000000      0.000000  
1 1 1 -23 0   16 o 11.710  7.6973  -35.7593   246.858  -35.7593   246.858  -35.7593   246.858  11.710  7.6973  11.710  7.6973  0.000000       0.000000  
1 1 1 -23 0   17 o 97.461  4.5184  5220.56    474.624  5220.56    474.624  5220.56    474.624  97.461  4.5184  97.461  4.5184  -0.000000      0.000000  
1 1 1 -23 0   18 o 115.284 4.7789  7311.48    594.391  7311.48    594.391  7311.48    594.391  115.284 4.7789  115.284 4.7789  -0.000000      0.000000  
1 1 1 -23 0   19 o 15.835  9.5894  147.861    303.579  147.861    303.579  147.861    303.579  15.835  9.5894  15.835  9.5894  0.000000       0.000000  
1 1 1 -23 0   20 o 12.937  8.5124  -34.3716   303.022  -34.3716   303.022  -34.3716   303.022  12.937  8.5124  12.937  8.5124  -0.000000      0.000000  
1 1 1 -23 0   21 o 17.240  10.054  219.529    311.245  219.529    311.245  219.529    311.245  17.240  10.054  17.240  10.054  0.000000       0.000000  
1 1 1 -23 0   22 o 18.805  10.510  294.135    320.127  294.135    320.127  294.135    320.127  18.805  10.510  18.805  10.510  -0.000000      0.000000  
1 1 1 -23 0   23 o 16.698  10.116  191.430    338.169  191.430    338.169  191.430    338.169  16.698  10.116  16.698  10.116  0.000000       0.000000  
1 1 1 -23 0   24 o 40.626  9.0535  1086.59    348.042  1086.59    348.042  1086.59    348.042  40.626  9.0535  40.626  9.0535  -0.000000      0.000000  
1 1 1 -23 0   25 o 19.087  10.973  330.957    362.637  330.957    362.637  330.957    362.637  19.087  10.973  19.087  10.973  0.000000       0.000000  
1 1 1 -23 0   26 o 17.601  10.314  273.324    330.095  273.324    330.095  273.324    330.095  17.601  10.314  17.601  10.314  0.000000       0.000000  
1 1 1 -23 0   27 o 10.433  7.5202  -627.4116  426.697  -627.4116  426.697  -627.4116  426.697  10.433  7.5202  10.433  7.5202  -0.000000      0.000000  
1 1 1 -23 0   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 1   1  o 90.375  3.0669  4436.60    300.206  4532.71    438.456  4351.78    411.898  91.199  4.4388  89.383  4.2547  1.815872       6.148591  
1 1 1 -23 1   2  o 158.695 3.4576  13690.37   594.312  13919.86   842.273  13462.81   838.705  159.723 4.8687  157.064 4.9302  2.659012       6.929006  
1 1 1 -23 1   3  o 148.218 3.3974  11940.89   545.396  11863.76   775.807  12016.26   766.882  147.456 4.8576  148.420 4.7705  -0.9643707     6.808387  
1 1 1 -23 1   4  o 97.558  3.1830  5171.26    336.339  5234.62    473.780  5106.89    477.552  97.999  4.4636  96.783  4.5557  1.215958       6.377913  
1 1 1 -23 1   5  o 60.630  3.8009  2008.15    248.338  2035.35    350.876  1980.84    351.531  60.779  5.3858  59.936  5.4756  0.8427086      7.680433  
1 1 1 -23 1   6  f 79.455  3.3436  3432.17    287.739  3812.01    416.155  3084.25    398.281  83.463  4.6215  74.991  4.9310  8.472244       6.758226  
1 1 1 -23 1   7  o 85.704  3.2825  3993.62    304.707  3954.34    430.594  4033.01    431.247  84.979  4.6965  85.831  4.6563  -0.8515701     6.613465  
1 1 1 -23 1   8  o 89.086  3.2179  4315.43    310.496  4567.83    447.869  4081.86    430.843  91.473  4.5205  86.334  4.6243  5.138893       6.466759  
1 1 1 -23 1   9  o 154.168 3.3975  12933.88   567.311  13247.67   809.145  12630.50   795.623  155.653 4.7995  151.973 4.8336  3.679306       6.811689  
1 1 1 -23 1   10 o 91.648  3.2808  4570.75    325.671  4516.48    460.106  4625.25    461.032  90.755  4.6968  91.856  4.6491  -1.100342      6.608675  
1 1 1 -23 1   11 o 80.354  3.5044  3517.50    304.993  3248.56    452.978  3740.52    412.507  76.705  5.4886  82.554  4.6321  -5.849182      7.182014  
1 1 1 -23 1   12 o 63.018  4.0106  2177.02    272.319  2127.15    411.363  2215.93    363.328  61.761  6.2348  63.285  5.3507  -1.524086      8.216053  
1 1 1 -23 1   13 o 62.825  3.5201  2159.05    238.564  2195.35    281.348  2066.19    450.029  63.235  4.1306  60.572  6.9878  2.662674       8.117310  
1 1 1 -23 1   14 o 85.116  3.1125  3947.18    286.938  4360.40    413.957  3565.02    398.091  89.220  4.2837  80.482  4.5858  8.738365       6.275364  
1 1 1 -23 1   15 o 78.369  3.1418  3348.47    266.684  3387.97    377.154  3308.96    377.142  78.444  4.4574  77.505  4.5122  0.9387207      6.342587  
1 1 1 -23 1   16 o 86.289  3.1287  4061.82    292.410  4260.21    416.785  3869.51    410.351  88.068  4.3694  83.769  4.5397  4.298904       6.300833  
1 1 1 -23 1   17 o 57.837  3.8114  1841.19    237.417  1710.83    334.920  1972.85    336.603  55.198  5.6833  59.449  5.2827  -4.251453      7.759293  
1 1 1 -23 1   18 o 21.397  7.5301  236.634    216.616  177.423    305.066  296.847    307.634  21.899  8.6679  24.368  8.9227  -2.468674      12.43974  
1 1 1 -23 1   19 o 46.186  4.8547  1195.74    239.216  1398.74    338.433  993.056    338.172  49.378  6.4849  40.913  7.9177  8.465160       10.23446  
1 1 1 -23 1   20 o 61.187  4.0165  2074.75    264.706  1927.62    372.936  2224.13    375.783  58.156  6.0072  62.709  5.5914  -4.552299      8.206680  
1 1 1 -23 1   21 o 17.599  7.2156  81.675     219.669  -9.9697    310.820  173.130    310.500  18.680  8.1499  21.650  8.6866  -2.970299      11.91125  
1 1 1 -23 1   22 o 22.690  7.7206  292.809    226.973  282.749    321.840  302.763    320.145  23.726  9.0364  24.102  9.0505  -0.3766022     12.78935  
1 1 1 -23 1   23 o 20.801  7.6136  232.498    223.953  298.474    313.741  163.957    319.780  23.519  8.9304  21.118  8.6876  2.400650       12.45903  
1 1 1 -23 1   24 o 25.906  7.6969  430.270    231.740  355.038    327.918  505.330    327.542  24.285  9.1518  27.505  9.2751  -3.220224      13.03001  
1 1 1 -23 1   25 o 41.213  5.7917  1019.13    251.392  1027.27    355.055  1010.93    355.990  39.209  8.5975  38.808  8.6859  0.4008369      12.22134  
1 1 1 -23 1   26 o 16.336  7.1408  26.849     239.630  160.010    351.365  -88.9452   327.653  20.669  8.8381  17.022  7.8118  3.647036       11.79555  
1 1 1 -23 1   27 o 25.040  10.458  424.538    473.252  424.538    473.252  0.0000     0.0000   25.040  10.458  ?       ?       0.000000       10.45800  
1 1 1 -23 1   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 2   1  o 170.585 3.5702  15823.53   659.640  16182.09   934.127  15466.88   931.622  172.167 5.0094  168.292 5.1110  3.875305       7.156582  
1 1 1 -23 2   2  o 92.915  3.1689  4690.32    318.905  4769.71    437.210  4600.07    466.183  93.571  4.3140  91.723  4.7084  1.848564       6.385897  
1 1 1 -23 2   3  o 74.152  3.3146  2988.22    266.213  2976.61    375.789  2999.91    377.179  73.726  4.7310  74.016  4.7297  -0.2896881     6.689697  
1 1 1 -23 2   4  o 127.386 3.2271  8817.63    445.253  8490.11    627.377  9150.03    632.016  124.772 4.6424  129.557 4.5040  -4.784943      6.468197  
1 1 1 -23 2   5  o 32.434  6.1968  595.697    209.750  424.152    294.283  772.828    299.036  27.764  8.7570  36.742  7.7577  -8.978622      11.69901  
1 1 1 -23 2   6  o 106.683 3.1628  6185.13    365.460  5882.31    504.967  6518.21    529.589  103.855 4.4892  109.328 4.4724  -5.472412      6.336766  
1 1 1 -23 2   7  o 102.353 3.0725  5693.13    340.617  5684.88    489.699  5700.86    474.091  102.088 4.4288  102.255 4.2806  -0.1675339     6.159383  
1 1 1 -23 2   8  o 152.327 3.4220  12623.89   564.581  12501.56   790.829  12751.03   806.271  151.243 4.8277  152.731 4.8740  -1.488190      6.860188  
1 1 1 -23 2   9  o 70.270  3.4303  2687.34    261.076  2758.40    359.478  2608.02    379.793  70.887  4.7088  68.831  5.1313  2.055847       6.964421  
1 1 1 -23 2   10 o 31.354  6.1129  559.185    200.135  297.024    286.985  807.388    279.240  24.478  8.6616  37.602  7.1171  -13.12396      11.21054  
1 1 1 -23 2   11 o 16.460  6.7959  47.274     196.576  34.373     267.203  62.493     290.222  18.581  7.8154  19.768  8.2173  -1.187241      11.34039  
1 1 1 -23 2   12 o 34.484  5.8922  672.918    212.172  545.109    298.904  802.718    301.222  30.694  8.6305  37.289  7.7127  -6.595448      11.57459  
1 1 1 -23 2   13 f 103.951 3.2508  5886.86    366.001  5822.46    431.966  6050.75    689.104  103.255 3.8625  104.435 6.1188  -1.180649      7.235924  
1 1 1 -23 2   14 o 75.741  3.2000  3126.64    262.509  3283.58    378.321  2980.92    364.549  77.240  4.5422  73.567  4.5982  3.672836       6.463297  
1 1 1 -23 2   15 o 104.547 3.0718  5957.29    347.839  5681.53    491.487  6234.01    492.351  101.739 4.4602  106.632 4.2630  -4.893616      6.169837  
1 1 1 -23 2   16 o 47.506  4.0760  1246.11    207.695  1131.02    297.361  1355.74    290.219  44.635  6.3282  49.182  5.5449  -4.547718      8.413764  
1 1 1 -23 2   17 o 61.652  4.0284  2094.93    267.523  1664.96    390.306  2475.91    367.401  54.029  6.8218  66.702  5.1246  -12.67327      8.532189  
1 1 1 -23 2   18 o 94.484  3.3044  4884.46    338.155  4990.33    476.539  4777.07    479.927  95.036  4.6296  92.803  4.7910  2.232880       6.662330  
1 1 1 -23 2   19 o 43.349  5.1170  1058.81    235.619  954.688    330.115  1166.94    336.405  40.110  7.8798  44.752  7.1833  -4.642056      10.66262  
1 1 1 -23 2   20 o 35.958  6.6893  757.511    250.934  786.247    353.027  728.167    356.751  35.723  9.0990  34.316  9.3458  1.407215       13.04364  
1 1 1 -23 2   21 o 43.664  5.7029  1091.62    263.266  1600.46    371.970  580.893    372.660  52.512  6.6922  30.748  9.8710  21.76404       11.92571  
1 1 1 -23 2   22 o 29.730  7.2163  535.781    230.022  685.170    320.996  378.103    329.782  33.032  8.8101  25.781  9.2676  7.250582       12.78695  
1 1 1 -23 2   23 f 20.139  7.5799  205.263    224.816  250.740    312.095  156.214    324.121  22.551  8.8158  21.069  8.7148  1.481419       12.39621  
1 1 1 -23 2   24 o 42.280  5.5059  1055.11    246.154  1023.38    348.152  1086.84    348.077  39.609  8.3770  41.068  8.1130  -1.458836      11.66169  
1 1 1 -23 2   25 o 67.620  3.9734  2592.75    289.730  2947.52    408.701  2234.36    410.786  70.833  5.3671  60.704  6.3414  10.12909       8.307788  
1 1 1 -23 2   26 o 45.229  5.4572  1223.42    261.932  1228.84    373.373  1218.18    367.553  42.805  8.3533  42.724  8.2414  0.8003235E-01  11.73454  
1 1 1 -23 2   27 o 30.262  11.247  774.085    491.897  774.085    491.897  0.0000     0.0000   30.262  11.247  ?       ?       0.000000       11.24694  
1 1 1 -23 2   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 3   1  o 84.260  3.1152  3856.94    284.303  4030.58    400.669  3680.86    403.477  85.906  4.3200  82.044  4.5585  3.861885       6.280271  
1 1 1 -23 3   2  o 19.259  6.5932  187.021    165.533  17.222     223.490  393.383    246.379  16.889  7.1279  26.529  7.9487  -9.640787      10.67655  
1 1 1 -23 3   3  o 75.035  3.2495  3059.39    264.090  3200.22    361.793  2898.78    386.376  76.513  4.3840  72.715  4.9351  3.798409       6.601091  
1 1 1 -23 3   4  o 149.428 3.3694  12137.05   545.332  11698.11   764.053  12592.86   778.584  146.418 4.8179  151.935 4.7313  -5.516769      6.752553  
1 1 1 -23 3   5  o 144.213 3.3716  11306.10   526.637  10897.07   741.706  11721.97   747.888  141.292 4.8467  146.575 4.7109  -5.282135      6.758923  
1 1 1 -23 3   6  o 51.437  4.0733  1450.00    225.075  1590.90    319.094  1310.49    317.520  53.629  5.5750  48.492  6.1865  5.137199       8.327824  
1 1 1 -23 3   7  f 78.279  3.2950  3331.76    279.360  3338.69    392.727  3324.66    397.466  78.067  4.6660  77.889  4.7339  0.1775131      6.646884  
1 1 1 -23 3   8  o 115.202 3.1975  7216.31    398.969  6652.64    562.181  7788.26    566.297  110.353 4.7035  119.470 4.3764  -9.117455      6.424606  
1 1 1 -23 3   9  o 98.402  3.1122  5265.25    331.701  5130.08    467.153  5402.70    471.064  96.925  4.4499  99.481  4.3719  -2.556389      6.238216  
1 1 1 -23 3   10 o 47.814  4.2214  1257.55    216.371  1294.11    314.978  1224.88    297.739  48.094  6.1904  46.813  6.0110  1.280941       8.628639  
1 1 1 -23 3   11 o 71.120  3.4705  2755.21    267.329  2636.24    374.710  2878.53    381.502  69.169  5.0362  72.325  4.8990  -3.156540      7.025929  
1 1 1 -23 3   12 o 53.577  3.9602  1575.49    228.181  1483.06    271.847  1795.90    419.791  51.786  4.9051  56.473  7.0142  -4.686668      8.559146  
1 1 1 -23 3   13 o 23.212  6.9302  303.881    187.533  285.831    222.356  348.353    349.028  23.071  7.6397  26.496  9.5332  -3.424896      12.21663  
1 1 1 -23 3   14 o 51.143  3.5350  1434.25    194.611  1596.46    260.601  1229.74    292.615  53.769  4.5167  46.797  5.9044  6.971046       7.433907  
1 1 1 -23 3   15 o 78.599  3.3179  3370.76    282.453  3272.48    420.229  3451.75    381.475  76.903  5.0736  79.178  4.4665  -2.274124      6.759547  
1 1 1 -23 3   16 f 66.981  3.5041  2458.52    253.327  2431.01    364.927  2484.11    351.944  66.163  5.1326  66.962  4.8863  -0.7997131     7.086553  
1 1 1 -23 3   17 o 42.976  4.7602  1030.89    217.854  708.316    291.031  1442.00    328.554  34.627  7.9304  50.475  6.1359  -15.84808      10.02702  
1 1 1 -23 3   18 o 44.681  5.1273  1121.34    243.634  1614.28    328.434  518.176    363.300  53.483  5.7606  29.809  9.7602  23.67376       11.33338  
1 1 1 -23 3   19 o 18.241  7.4257  91.640     230.587  -144.9127  294.315  467.641    371.059  16.523  7.5143  28.636  9.8681  -12.11245      12.40343  
1 1 1 -23 3   20 o 61.206  4.0126  2076.01    264.534  2301.96    372.738  1846.70    375.493  63.873  5.4396  56.818  6.2024  7.055874       8.249826  
1 1 1 -23 3   21 o 50.253  4.6862  1417.65    252.124  1248.94    354.806  1589.73    358.333  45.972  7.3751  52.457  6.4423  -6.484650      9.792594  
1 1 1 -23 3   22 o 41.436  5.4440  986.626    238.411  994.340    328.588  978.050    346.449  40.466  7.7797  39.843  8.2978  0.6230049      11.37437  
1 1 1 -23 3   23 o 46.095  5.0862  1222.23    249.703  1455.99    347.452  972.529    359.102  49.381  6.6667  38.932  8.7314  10.44943       10.98557  
1 1 1 -23 3   24 o 23.073  7.7966  329.508    231.451  319.391    324.239  340.019    330.491  23.544  9.0455  24.006  9.1537  -0.4620438     12.86902  
1 1 1 -23 3   25 o 37.711  6.2022  867.461    244.519  960.359    340.721  768.807    351.119  37.947  8.5009  33.143  9.3662  4.803818       12.64876  
1 1 1 -23 3   26 o 24.482  8.2269  398.953    257.689  419.542    358.714  376.999    370.422  25.050  9.5401  24.331  9.5765  0.7183037      13.51756  
1 1 1 -23 3   27 o 20.125  9.2258  7.9573     455.303  7.9573     455.303  0.0000     0.0000   20.125  9.2258  ?       ?       0.000000       9.225787  
1 1 1 -23 3   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 4   1  o 154.200 3.3999  12925.17   567.839  12411.30   803.895  13436.87   802.198  150.795 4.9220  156.951 4.7190  -6.156128      6.818727  
1 1 1 -23 4   2  o 35.857  5.1823  716.430    195.425  572.183    263.933  891.484    290.754  31.585  7.7689  39.697  7.0191  -8.112673      10.47009  
1 1 1 -23 4   3  o 69.523  3.3365  2626.96    251.243  2664.48    341.640  2582.77    370.768  69.766  4.5461  68.601  5.0250  1.164803       6.776231  
1 1 1 -23 4   4  o 132.611 3.2400  9556.43    465.371  9249.36    649.451  9880.48    667.174  130.235 4.6041  134.611 4.5760  -4.375519      6.491400  
1 1 1 -23 4   5  o 199.557 3.9518  21680.53   854.146  21882.29   1206.85  21478.03   1209.04  199.964 5.5723  198.085 5.6353  1.879196       7.925100  
1 1 1 -23 4   6  o 106.594 3.1767  6175.13    366.753  6327.74    510.578  6012.46    527.155  107.732 4.3757  104.971 4.6366  2.761307       6.375326  
1 1 1 -23 4   7  o 33.480  5.2349  627.464    183.614  794.136    254.601  446.826    265.053  37.484  6.5071  28.091  8.2009  9.393373       10.46887  
1 1 1 -23 4   8  o 92.565  3.1957  4659.02    320.390  4517.15    450.329  4804.44    455.923  90.836  4.5921  93.815  4.4869  -2.978149      6.420290  
1 1 1 -23 4   9  o 71.530  3.2797  2783.49    254.097  2572.63    369.507  2972.66    349.981  68.381  5.0242  73.658  4.4071  -5.277115      6.683238  
1 1 1 -23 4   10 o 140.071 3.2705  10676.77   496.168  10069.02   702.971  11280.11   700.411  135.653 4.7845  143.665 4.5013  -8.011414      6.569083  
1 1 1 -23 4   11 o 47.082  4.6105  1224.09    232.091  1600.76    330.187  856.243    326.300  53.639  5.7744  38.480  8.0859  15.15900       9.936084  
1 1 1 -23 4   12 o 64.453  3.5614  2271.26    247.651  2020.22    292.232  2910.97    466.489  60.601  4.4841  72.407  6.0024  -11.80643      7.492357  
1 1 1 -23 4   13 o 46.448  4.3960  1191.33    218.522  1071.05    259.861  1481.78    403.804  43.744  5.6143  50.998  7.5376  -7.254459      9.398744  
1 1 1 -23 4   14 o 53.637  3.8875  1580.84    224.308  1393.10    266.262  2039.80    416.309  50.095  4.9731  60.260  6.4804  -10.16510      8.168628  
1 1 1 -23 4   15 o 113.683 3.1209  7045.51    384.277  6660.56    543.655  7429.88    543.244  110.121 4.5581  116.394 4.3092  -6.272575      6.272591  
1 1 1 -23 4   16 o 50.786  3.9827  1421.75    217.320  1430.59    303.336  1412.42    311.499  50.507  5.6414  50.117  5.8485  0.3891678      8.125937  
1 1 1 -23 4   17 o 94.751  3.1939  4903.67    327.773  5024.56    453.492  4771.45    474.288  95.554  4.3818  92.881  4.7303  2.672768       6.447924  
1 1 1 -23 4   18 o 65.608  3.7878  2370.35    268.014  2653.90    375.339  2075.36    382.831  68.999  5.0577  60.651  5.9025  8.347214       7.772974  
1 1 1 -23 4   19 o 24.108  7.5162  334.760    217.478  404.927    301.896  259.068    313.556  26.641  8.9049  23.575  8.9336  3.066257       12.61373  
1 1 1 -23 4   20 o 55.961  4.3939  1744.86    264.180  1846.87    382.136  1651.48    365.624  56.760  6.3234  53.593  6.4270  3.167301       9.016216  
1 1 1 -23 4   21 o 78.055  3.5569  3353.92    300.707  2870.51    420.248  3861.12    430.464  71.232  5.4893  83.070  4.8049  -11.83795      7.295164  
1 1 1 -23 4   22 o 18.468  7.3429  127.954    219.840  431.263    304.004  -204.5299  318.289  26.774  8.9360  16.339  7.5700  10.43468       11.71144  
1 1 1 -23 4   23 o 23.868  8.1119  341.866    250.562  462.813    345.650  207.929    363.739  27.182  9.5153  22.613  9.2796  4.569153       13.29107  
1 1 1 -23 4   24 o 13.383  6.2434  -157.9748  222.372  -122.4488  304.859  -198.3693  325.077  16.377  7.5230  16.116  7.5282  0.2615643      10.64280  
1 1 1 -23 4   25 o 30.981  7.8902  630.719    265.481  888.924    381.482  388.231    369.690  35.427  9.6709  24.921  9.6357  10.50600       13.65185  
1 1 1 -23 4   26 o 44.519  5.6312  1192.95    265.456  1150.41    384.870  1231.55    366.619  40.757  8.9625  43.029  8.1653  -2.271915      12.12427  
1 1 1 -23 4   27 o 20.348  9.3098  23.978     460.558  23.978     460.558  0.0000     0.0000   20.348  9.3098  ?       ?       0.000000       9.309795  
1 1 1 -23 4   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 5   1  o 165.161 3.4962  14831.56   625.418  14328.51   881.606  15341.21   887.373  161.992 5.0247  167.656 4.8867  -5.664093      7.009106  
1 1 1 -23 5   2  o 66.713  3.3113  2418.79    239.263  2515.59    338.252  2321.87    338.486  67.765  4.6364  65.057  4.8383  2.707832       6.701200  
1 1 1 -23 5   3  o 21.949  6.8422  263.269    180.230  42.549     234.462  582.061    281.777  17.750  7.3827  31.842  8.1392  -14.09217      10.98866  
1 1 1 -23 5   4  o 139.753 3.3190  10615.65   502.384  10266.09   707.699  10970.76   713.291  137.169 4.7634  141.825 4.6435  -4.655853      6.652237  
1 1 1 -23 5   5  o 187.283 3.8209  19089.58   775.060  19899.42   1094.74  18275.70   1097.46  190.779 5.2980  182.748 5.5446  8.031586       7.668821  
1 1 1 -23 5   6  o 137.422 3.2543  10265.39   484.378  9293.18    678.406  11276.42   691.819  130.466 4.8009  143.798 4.4419  -13.33237      6.540569  
1 1 1 -23 5   7  o 158.241 3.4670  13621.84   594.221  13894.54   838.943  13347.30   841.774  159.473 4.8571  156.268 4.9734  3.205246       6.951713  
1 1 1 -23 5   8  o 58.356  3.5571  1860.33    223.758  1602.12    311.195  2136.72    321.962  53.815  5.4124  62.346  4.8049  -8.531139      7.237441  
1 1 1 -23 5   9  o 67.268  3.4291  2469.08    249.013  2418.76    355.426  2517.60    348.977  66.300  4.9861  67.688  4.7910  -1.388733      6.914821  
1 1 1 -23 5   10 o 84.865  3.3551  3920.30    308.397  4095.30    449.458  3764.61    423.938  86.373  4.8237  82.820  4.7458  3.553322       6.766876  
1 1 1 -23 5   11 o 56.172  3.4457  1725.05    208.626  1537.84    270.214  2001.35    328.273  52.786  4.7780  60.206  5.0816  -7.420074      6.975099  
1 1 1 -23 5   12 o 73.666  3.3290  2955.78    265.615  3074.34    312.955  2650.40    502.274  74.956  3.8680  68.814  6.8292  6.142342       7.848526  
1 1 1 -23 5   13 o 34.260  5.4459  661.484    195.319  680.467    229.077  610.937    373.812  34.540  6.3576  32.472  9.8048  2.068340       11.68559  
1 1 1 -23 5   14 o 97.496  3.1402  5179.96    331.605  5324.77    388.645  4792.37    635.831  98.746  3.6338  92.682  6.3727  6.063660       7.335923  
1 1 1 -23 5   15 o 126.034 3.1827  8662.12    434.467  8322.65    614.883  9000.59    613.977  123.074 4.6127  128.061 4.4265  -4.987381      6.393086  
1 1 1 -23 5   16 f 64.294  3.4855  2265.55    241.811  2389.66    337.211  2134.17    346.941  65.703  4.7711  61.938  5.2203  3.764858       7.072144  
1 1 1 -23 5   17 o 21.617  7.1071  255.692    192.561  257.698    258.017  253.171    289.304  22.727  8.1943  23.196  8.6244  -0.4691925     11.89649  
1 1 1 -23 5   18 o 27.015  7.2649  429.356    217.190  655.179    300.538  182.497    314.224  33.074  8.3796  22.189  8.7926  10.88499       12.14609  
1 1 1 -23 5   19 o 36.951  5.9053  783.453    228.384  867.766    318.737  694.490    327.405  38.156  7.9697  33.818  8.8396  4.337528       11.90188  
1 1 1 -23 5   20 o 19.911  7.4874  182.278    219.266  -147.8530  304.878  535.985    315.577  16.752  7.6300  29.744  9.0149  -12.99165      11.81038  
1 1 1 -23 5   21 o 22.826  7.6129  294.707    220.655  79.643     301.793  541.724    323.436  19.810  8.3177  29.760  9.1477  -9.950089      12.36382  
1 1 1 -23 5   22 f 19.640  7.4903  177.507    221.318  131.932    305.552  227.806    321.000  20.598  8.4849  22.635  8.9129  -2.037649      12.30587  
1 1 1 -23 5   23 o 44.943  5.2053  1166.24    248.697  1131.96    344.660  1203.47    359.213  42.769  7.7247  44.067  7.8121  -1.298618      10.98631  
1 1 1 -23 5   24 o 61.446  4.1666  2143.21    275.658  2194.43    379.454  2085.98    401.127  60.880  5.8257  58.843  6.3969  2.036957       8.652130  
1 1 1 -23 5   25 o 25.986  7.9236  442.709    243.261  710.639    354.325  203.824    334.570  31.711  9.5392  21.368  8.8476  10.34295       13.01065  
1 1 1 -23 5   26 o 13.316  6.3200  -219.9436  245.930  -130.1945  383.103  -282.8517  320.741  17.827  8.2755  14.934  7.1243  2.892741       10.91970  
1 1 1 -23 5   27 o 22.219  10.220  90.102     565.036  90.102     565.036  0.0000     0.0000   22.219  10.220  ?       ?       0.000000       10.21963  
1 1 1 -23 5   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 6   1  o 84.476  3.1236  3877.07    285.796  3986.36    396.282  3758.61    412.562  85.430  4.2964  82.893  4.6135  2.537811       6.304234  
1 1 1 -23 6   2  o 112.024 3.1341  6817.93    380.266  6513.85    531.200  7137.56    544.604  109.314 4.4866  114.443 4.3936  -5.129173      6.279559  
1 1 1 -23 6   3  o 33.319  5.8290  625.084    202.693  412.896    258.209  965.785    327.188  27.157  8.1374  41.220  7.6088  -14.06328      11.14054  
1 1 1 -23 6   4  o 146.086 3.3604  11600.90   531.703  11487.37   754.758  11712.76   749.157  145.085 4.8030  146.521 4.7207  -1.435486      6.734514  
1 1 1 -23 6   5  o 121.280 3.1977  7993.53    420.050  8107.26    596.955  7881.99    591.169  121.927 4.5204  120.217 4.5402  1.709526       6.406801  
1 1 1 -23 6   6  o 117.643 3.1613  7521.70    402.817  7142.43    555.060  7943.71    585.496  114.434 4.4783  120.682 4.4793  -6.248222      6.333995  
1 1 1 -23 6   7  o 101.565 3.1972  5608.03    351.711  5999.93    494.499  5206.82    500.342  104.882 4.3531  97.641  4.7311  7.240547       6.429052  
1 1 1 -23 6   8  o 51.304  3.8794  1442.06    213.974  1254.73    289.406  1667.95    317.793  47.489  5.7433  54.918  5.4131  -7.429142      7.892212  
1 1 1 -23 6   9  o 74.426  3.2998  3013.74    266.000  2908.56    363.078  3135.60    390.811  72.810  4.6281  75.573  4.7994  -2.763191      6.667329  
1 1 1 -23 6   10 o 159.779 3.5904  13907.08   621.350  14412.08   844.258  13310.30   917.782  162.278 4.8034  155.721 5.4415  6.556931       7.258280  
1 1 1 -23 6   11 f 64.460  3.4319  2269.50    238.745  2588.24    287.731  1565.07    427.754  68.772  3.8787  52.475  7.7601  16.29667       8.675433  
1 1 1 -23 6   12 o 20.460  6.8297  220.569    177.578  164.769    206.525  378.827    347.808  19.522  7.2812  27.166  9.5430  -7.643667      12.00353  
1 1 1 -23 6   13 o 95.324  3.1347  4948.62    323.650  4853.43    377.012  5215.31    631.042  94.301  3.6912  96.951  6.0394  -2.650024      7.078122  
1 1 1 -23 6   14 o 77.687  3.5877  3295.23    301.885  3034.25    363.351  3876.91    542.456  74.233  4.5410  83.442  6.0431  -9.209198      7.559090  
1 1 1 -23 6   15 o 82.829  2.8899  3736.71    259.261  3803.74    348.522  3653.65    387.938  83.382  3.8591  81.479  4.4123  1.902596       5.861851  
1 1 1 -23 6   16 f 124.271 3.1973  8427.89    430.355  8254.39    604.794  8605.85    612.507  122.502 4.5582  125.098 4.5205  -2.596718      6.419696  
1 1 1 -23 6   17 o 49.369  4.3448  1350.86    229.956  1215.17    320.981  1493.95    329.604  46.106  6.6173  51.417  6.0332  -5.311031      8.954794  
1 1 1 -23 6   18 o 21.864  7.2685  262.068    201.204  384.065    265.669  97.970     308.119  25.911  8.3362  20.532  8.4951  5.378927       11.90200  
1 1 1 -23 6   19 o 38.499  5.9357  849.654    239.554  1074.63    345.672  641.763    332.286  42.651  7.7690  32.494  9.0867  10.15741       11.95517  
1 1 1 -23 6   20 o 25.113  7.5424  371.300    221.641  188.541    304.713  576.625    322.978  21.896  8.6642  30.743  9.0750  -8.846313      12.54686  
1 1 1 -23 6   21 o 82.368  3.5805  3736.16    319.430  3859.93    454.969  3615.85    448.584  82.882  5.0928  80.151  5.1953  2.731224       7.275191  
1 1 1 -23 6   22 o 40.332  5.8813  944.797    249.360  1079.79    357.389  816.734    348.092  41.969  8.1560  35.973  8.9659  5.995560       12.12058  
1 1 1 -23 6   23 o 36.863  6.1780  809.138    237.938  717.367    327.398  911.867    346.396  33.189  8.9173  37.665  8.6706  -4.476074      12.43774  
1 1 1 -23 6   24 o 34.267  7.4783  746.399    269.759  902.630    377.409  583.213    385.719  36.193  9.5054  29.028  10.058  7.164843       13.83884  
1 1 1 -23 6   25 f 46.261  5.3706  1264.96    264.088  1226.01    378.609  1301.86    368.549  43.086  8.4149  44.941  7.8576  -1.854717      11.51314  
1 1 1 -23 6   26 o 29.003  8.6504  585.040    292.291  473.408    360.390  799.615    499.652  26.062  9.6386  31.391  11.390  -5.328197      14.92090  
1 1 1 -23 6   27 o 15.220  7.4994  -635.4766  440.005  -635.4766  440.005  0.0000     0.0000   15.220  7.4994  ?       ?       0.000000       7.499406  
1 1 1 -23 6   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 7   1  o 160.506 3.4801  14007.93   604.992  13664.03   847.349  14365.53   864.071  158.200 4.9452  162.217 4.9179  -4.017349      6.974337  
1 1 1 -23 7   2  o 187.865 3.7982  19204.19   772.846  19145.36   1082.57  19265.34   1103.67  187.145 5.3408  187.701 5.4288  -0.5564270     7.615532  
1 1 1 -23 7   3  o 196.059 3.9015  20921.70   828.485  21022.20   1166.38  20819.35   1177.00  196.047 5.4930  195.071 5.5708  0.9756775      7.823467  
1 1 1 -23 7   4  o 140.904 3.3692  10793.02   514.186  11010.79   728.792  10577.18   725.556  142.054 4.7368  139.212 4.8120  2.841843       6.752194  
1 1 1 -23 7   5  o 91.003  3.1882  4500.63    314.247  4398.25    429.992  4618.00    460.387  89.817  4.4201  91.887  4.6410  -2.070412      6.409045  
1 1 1 -23 7   6  o 48.570  4.1135  1294.35    214.360  1114.99    277.382  1560.28    337.761  44.731  5.8668  53.011  5.9876  -8.280346      8.382760  
1 1 1 -23 7   7  o 72.294  3.3791  2842.69    264.592  2619.51    362.075  3098.46    387.609  69.069  4.8712  75.164  4.7861  -6.094284      6.828995  
1 1 1 -23 7   8  o 170.251 3.5657  15778.00   657.510  15208.45   929.588  16348.21   930.131  166.688 5.1489  172.885 4.9673  -6.196854      7.154389  
1 1 1 -23 7   9  o 20.349  6.9402  211.959    183.412  448.486    264.178  -8.1433    254.841  28.081  8.1843  17.478  7.5015  10.60322       11.10204  
1 1 1 -23 7   10 f 123.321 3.2445  8275.95    433.362  8285.17    613.071  8266.73    612.661  123.090 4.5985  122.953 4.6006  0.1375809      6.504718  
1 1 1 -23 7   11 o 186.729 3.7806  19015.65   764.614  19690.98   885.810  17041.83   1514.40  189.818 4.3086  174.657 8.0054  15.16016       9.091210  
1 1 1 -23 7   12 o 116.402 3.1513  7376.05    397.305  7145.68    460.627  8045.43    785.183  114.454 3.7158  120.747 6.0038  -6.293304      7.060598  
1 1 1 -23 7   13 o 123.413 3.1993  8296.83    427.648  8263.10    497.176  8392.75    838.469  123.032 3.7310  122.933 6.3186  0.9874725E-01  7.337875  
1 1 1 -23 7   14 o 49.428  4.2483  1347.83    225.222  1305.18    266.335  1454.88    421.951  48.423  5.1576  50.262  8.0206  -1.839146      9.535726  
1 1 1 -23 7   15 f 21.923  7.0712  263.768    191.064  235.355    229.499  327.936    344.892  21.754  7.7405  25.873  9.4515  -4.118368      12.21669  
1 1 1 -23 7   16 o 24.814  7.1624  354.740    203.207  595.359    281.548  93.104     293.586  31.774  8.1435  20.210  8.3202  11.56463       11.64227  
1 1 1 -23 7   17 o 83.590  3.2251  3817.52    291.988  3643.27    401.387  4013.36    425.536  81.175  4.5841  85.193  4.6291  -4.017883      6.514765  
1 1 1 -23 7   18 o 74.581  3.4214  3046.25    276.379  3151.20    379.608  2927.87    403.174  75.357  4.6740  72.431  5.1732  2.926010       6.971990  
1 1 1 -23 7   19 o 45.168  4.9632  1146.28    238.803  1020.28    329.217  1286.19    346.916  41.605  7.5852  47.081  7.0175  -5.475998      10.33346  
1 1 1 -23 7   20 o 41.426  5.5888  979.328    244.359  1158.91    346.121  800.876    345.034  44.307  7.4787  36.124  8.8810  8.183769       11.61046  
1 1 1 -23 7   21 o 33.506  6.6115  662.102    231.414  591.904    316.544  742.690    339.165  30.985  8.9382  34.597  8.9747  -3.611645      12.66634  
1 1 1 -23 7   22 o 21.553  7.7992  246.686    234.043  115.990    308.933  422.741    358.556  20.388  8.4766  26.922  9.6649  -6.534384      12.85551  
1 1 1 -23 7   23 o 22.535  7.6935  299.492    225.387  126.215    306.445  503.682    332.658  20.167  8.4184  28.005  9.3477  -7.838156      12.57968  
1 1 1 -23 7   24 o 19.462  7.6688  179.379    237.792  195.429    337.582  163.572    335.010  21.483  8.8906  20.930  8.7745  0.5534992      12.49141  
1 1 1 -23 7   25 o 21.745  7.9747  281.240    245.875  226.454    349.306  335.042    346.155  21.929  9.0569  23.759  9.2854  -1.829550      12.97094  
1 1 1 -23 7   26 o 28.990  8.0411  568.514    261.328  699.672    306.453  218.916    500.324  31.719  8.6717  23.268  10.241  8.451113       13.41891  
1 1 1 -23 7   27 o 25.391  9.6362  464.707    365.167  464.707    365.167  0.0000     0.0000   25.391  9.6362  ?       ?       0.000000       9.636225  
1 1 1 -23 7   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 8   1  o 14.689  6.2208  7.9201     171.157  -146.0375  226.842  211.424    260.801  14.369  6.5586  22.070  8.1919  -7.701114      10.49396  
1 1 1 -23 8   2  o 88.669  3.0510  4271.02    293.013  3972.81    405.128  4598.13    424.303  85.263  4.4019  91.866  4.2643  -6.603004      6.128743  
1 1 1 -23 8   3  o 145.010 3.3266  11430.00   522.484  10172.68   729.919  12751.19   748.229  136.499 4.9371  152.924 4.5174  -16.42441      6.691945  
1 1 1 -23 8   4  o 167.795 3.5703  15313.63   648.867  15507.65   915.142  15117.49   920.151  168.501 5.0144  166.341 5.1073  2.159592       7.157373  
1 1 1 -23 8   5  o 221.060 4.2505  26631.40   1017.70  26701.17   1435.62  26560.91   1442.88  220.660 6.0068  220.059 6.0537  0.6018066      8.528170  
1 1 1 -23 8   6  o 175.536 3.6756  16768.84   698.816  16947.23   983.529  16586.97   993.091  176.049 5.1580  174.133 5.2655  1.916473       7.370908  
1 1 1 -23 8   7  o 100.803 3.2440  5525.15    354.177  5252.17    497.961  5804.64    503.856  98.066  4.6882  103.127 4.5109  -5.060898      6.505978  
1 1 1 -23 8   8  o 128.500 3.2588  8980.96    453.555  8372.83    637.461  9604.45    645.460  123.772 4.7551  132.628 4.4933  -8.856010      6.542247  
1 1 1 -23 8   9  o 44.823  4.2697  1106.32    204.782  1184.34    273.915  1007.47    308.344  46.129  5.5971  42.162  6.9976  3.967289       8.960663  
1 1 1 -23 8   10 o 44.676  4.0936  1098.20    195.877  933.942    232.399  1501.11    363.983  40.919  5.3737  51.722  6.6514  -10.80387      8.550914  
1 1 1 -23 8   11 o 49.566  4.1783  1351.24    222.219  1321.91    274.292  1407.27    379.074  48.799  5.2734  49.859  7.2304  -1.060490      8.949197  
1 1 1 -23 8   12 o 11.460  5.3734  -169.4761  168.236  -364.0286  193.633  429.692    339.809  10.496  5.1312  28.169  9.4474  -17.67347      10.75092  
1 1 1 -23 8   13 o 35.522  2.2871  688.227    87.526   1082.06    252.877  634.624    93.293   44.013  5.4192  34.074  2.5462  9.938198       5.987565  
1 1 1 -23 8   14 o 66.643  3.6903  2433.46    265.330  2567.92    317.669  2123.22    482.521  68.322  4.3150  61.135  7.4405  7.186050       8.601202  
1 1 1 -23 8   15 o 35.778  5.4300  722.324    203.814  675.821    243.585  830.888    372.180  34.223  6.8110  37.375  9.2451  -3.151218      11.48310  
1 1 1 -23 8   16 o 30.456  6.1418  533.942    195.606  447.095    260.151  646.902    296.695  27.737  8.1325  33.082  8.2955  -5.344875      11.61686  
1 1 1 -23 8   17 o 62.885  3.6037  2172.29    244.433  2065.01    330.824  2301.27    362.736  60.889  5.0622  64.231  5.2602  -3.341389      7.300401  
1 1 1 -23 8   18 o 53.164  4.0812  1563.98    233.209  1690.09    318.659  1418.53    342.215  54.840  5.4365  49.805  6.4987  5.034580       8.472857  
1 1 1 -23 8   19 o 74.854  3.5567  3075.64    288.363  2975.72    398.581  3185.38    417.704  72.963  5.0753  75.470  5.1407  -2.507294      7.223883  
1 1 1 -23 8   20 o 90.364  3.4373  4484.95    336.424  4278.01    476.593  4690.47    474.962  87.413  5.0554  91.689  4.7994  -4.275475      6.970756  
1 1 1 -23 8   21 o 40.799  5.5132  952.581    237.389  953.010    324.841  952.090    347.769  39.805  7.8136  39.509  8.3864  0.2966919      11.46224  
1 1 1 -23 8   22 o 37.078  6.0814  805.211    235.753  780.308    320.781  834.460    347.648  35.352  8.4854  36.368  8.8985  -1.016186      12.29573  
1 1 1 -23 8   23 o 28.174  7.8410  500.916    248.048  701.075    361.598  323.015    340.901  32.419  9.6106  24.245  9.2843  8.173931       13.36275  
1 1 1 -23 8   24 o 24.319  7.9500  375.782    241.070  274.844    342.826  474.511    339.054  22.888  9.1473  26.766  9.4207  -3.877575      13.13097  
1 1 1 -23 8   25 o 48.120  5.4514  1371.77    279.107  1402.56    381.275  1336.22    409.688  46.693  7.8153  44.643  8.7857  2.049778       11.75874  
1 1 1 -23 8   26 o 19.380  8.7265  16.477     385.372  16.477     385.372  0.0000     0.0000   19.380  8.7265  ?       ?       0.000000       8.726530  
1 1 1 -23 8   27 o 37.646  9.4945  1047.06    387.073  1047.06    387.073  0.0000     0.0000   37.646  9.4945  ?       ?       0.000000       9.494525  
1 1 1 -23 8   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 9   1  o 76.334  3.1221  3166.02    258.125  3142.21    349.241  3194.69    383.207  75.819  4.2702  76.385  4.6540  -0.5666580     6.316245  
1 1 1 -23 9   2  o 178.668 3.6640  17366.06   709.049  16900.03   995.230  17846.44   1010.44  175.844 5.2255  180.721 5.1622  -4.876541      7.345299  
1 1 1 -23 9   3  o 132.080 3.2258  9480.78    461.472  8987.27    642.668  10006.09   663.050  128.359 4.6226  135.461 4.5192  -7.101791      6.464674  
1 1 1 -23 9   4  o 122.864 3.2086  8204.02    426.979  8012.10    597.456  8404.36    610.430  121.202 4.5512  124.136 4.5401  -2.933662      6.428534  
1 1 1 -23 9   5  o 39.071  5.0328  847.466    208.025  989.417    273.994  654.284    319.637  42.026  6.2062  33.685  8.7000  8.340752       10.68671  
1 1 1 -23 9   6  o 74.746  3.3000  3037.76    267.157  2771.23    354.191  3389.52    406.904  71.108  4.6240  78.637  4.8005  -7.528809      6.665255  
1 1 1 -23 9   7  o 39.385  4.8558  860.196    202.751  911.766    258.487  777.731    326.867  40.305  6.1131  36.694  8.4051  3.610836       10.39303  
1 1 1 -23 9   8  o 88.116  3.2157  4222.79    306.899  4594.06    428.605  3832.15    439.649  91.753  4.3129  83.573  4.8782  8.179802       6.511333  
1 1 1 -23 9   9  o 92.710  3.2080  4675.65    322.126  4899.69    443.110  4424.55    469.112  94.733  4.3186  89.804  4.8408  4.929565       6.487178  
1 1 1 -23 9   10 o 55.796  2.5121  1690.95    151.812  2065.11    266.242  1510.69    184.798  61.391  4.0264  52.586  3.2606  8.805042       5.181066  
1 1 1 -23 9   11 o 116.354 3.0829  7366.36    388.517  7247.54    457.505  7673.66    735.744  115.300 3.6635  118.069 5.7534  -2.768379      6.820737  
1 1 1 -23 9   12 o 55.961  3.7808  1716.48    227.814  1707.58    271.614  1737.58    418.366  55.668  4.5445  55.481  7.1270  0.1870804      8.452577  
1 1 1 -23 9   13 o 16.467  6.6400  71.423     182.408  79.859     214.802  49.611     345.414  17.737  7.1867  21.030  8.8678  -3.293221      11.41428  
1 1 1 -23 9   14 o 49.461  4.2485  1349.84    225.389  1396.34    267.147  1234.99    419.855  50.141  4.9852  45.961  8.7539  4.180225       10.07384  
1 1 1 -23 9   15 f 32.601  5.9286  606.660    201.626  645.603    238.324  508.601    378.178  33.428  6.8136  30.053  9.9637  3.374384       12.07070  
1 1 1 -23 9   16 o 14.496  6.0684  25.507     159.875  -77.4169   223.837  132.697    228.428  15.105  6.7372  19.208  7.5330  -4.103914      10.10623  
1 1 1 -23 9   17 o 42.766  4.6470  1020.04    211.784  831.396    281.858  1264.64    320.953  37.807  7.1450  47.094  6.4627  -9.286835      9.634200  
1 1 1 -23 9   18 o 17.329  7.0167  83.845     204.609  68.499     286.958  99.716     291.823  19.455  8.1359  20.129  8.2921  -0.6744537     11.61686  
1 1 1 -23 9   19 o 50.524  4.4696  1422.53    242.067  1446.82    329.977  1394.22    356.193  50.328  6.1835  49.094  6.8883  1.234924       9.256552  
1 1 1 -23 9   20 o 20.670  7.5104  214.167    217.356  -3.9120    293.926  477.339    322.887  18.345  7.9653  28.337  9.1976  -9.991867      12.16726  
1 1 1 -23 9   21 o 57.001  4.2285  1810.93    259.197  1823.40    355.823  1796.83    378.332  56.454  5.9067  55.797  6.3746  0.6570778      8.690504  
1 1 1 -23 9   22 o 31.631  6.8865  602.313    229.235  905.008    309.192  232.838    341.601  38.552  7.6746  23.036  9.1551  15.51611       11.94631  
1 1 1 -23 9   23 o 27.266  7.7815  468.186    241.129  578.882    340.270  356.524    341.751  29.674  9.4224  24.878  9.3491  4.796495       13.27358  
1 1 1 -23 9   24 f 3.9341  1.9845  -128.2349  39.713   533.380    340.732  -137.3463  39.985   28.041  9.4599  3.8520  1.9488  24.18850       9.658596  
1 1 1 -23 9   25 o 28.933  9.6503  590.846    354.562  590.846    354.562  0.0000     0.0000   28.933  9.6503  ?       ?       0.000000       9.650292  
1 1 1 -23 9   26 o 16.450  7.7179  -189.6413  348.043  -189.6413  348.043  0.0000     0.0000   16.450  7.7179  ?       ?       0.000000       7.717919  
1 1 1 -23 9   27 o 17.828  8.1380  -33.5726   349.310  -33.5726   349.310  0.0000     0.0000   17.828  8.1380  ?       ?       0.000000       8.138007  
1 1 1 -23 9   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 10  1  o 116.013 3.0841  7312.76    387.532  7069.50    535.676  7579.87    561.329  113.884 4.3428  117.914 4.3952  -4.029961      6.178804  
1 1 1 -23 10  2  o 109.211 3.0721  6479.91    363.385  6181.46    499.832  6814.51    529.238  106.496 4.3333  111.811 4.3702  -5.314217      6.154335  
1 1 1 -23 10  3  o 55.824  3.7257  1703.15    223.975  1656.24    285.608  1778.07    360.959  54.871  4.8558  56.652  5.9727  -1.781002      7.697527  
1 1 1 -23 10  4  o 67.547  3.5895  2488.85    261.668  2488.72    364.543  2488.98    375.823  67.310  5.0368  67.283  5.1974  0.2724457E-01  7.237585  
1 1 1 -23 10  5  o 76.044  3.3363  3144.08    274.792  3276.74    370.585  2982.05    409.560  77.389  4.4398  73.679  5.1648  3.709343       6.810790  
1 1 1 -23 10  6  f 64.060  3.5932  2240.04    248.301  2266.73    331.187  2205.78    375.224  64.246  4.7940  63.225  5.5351  1.020836       7.322526  
1 1 1 -23 10  7  f 59.414  3.7093  1929.41    237.506  1928.97    326.595  1929.91    346.013  59.157  5.1486  59.106  5.4668  0.5072403E-01  7.509596  
1 1 1 -23 10  8  o 26.275  6.5197  395.262    184.658  525.237    247.106  230.888    277.889  30.205  7.5686  22.827  8.4594  7.377930       11.35100  
1 1 1 -23 10  9  o 46.230  3.9097  1173.37    193.930  1254.49    253.919  1059.81    300.426  47.616  4.9981  43.358  6.6061  4.257767       8.283827  
1 1 1 -23 10  10 o 23.479  6.4650  313.891    169.621  500.566    200.913  -149.3238  316.488  29.560  6.4560  17.497  7.8908  12.06327       10.19535  
1 1 1 -23 10  11 f 19.864  6.6476  206.672    168.241  49.639     200.464  580.789    309.418  16.643  6.8662  31.648  8.7390  -15.00476      11.11370  
1 1 1 -23 10  12 o 60.441  2.4628  1984.84    161.225  1863.95    269.239  2052.43    201.309  58.224  4.2998  61.411  3.0266  -3.186752      5.258166  
1 1 1 -23 10  13 o 66.653  3.6185  2431.43    260.250  2665.81    310.069  1872.71    478.730  69.693  4.1261  57.273  7.9302  12.42047       8.939362  
1 1 1 -23 10  14 o 75.362  3.4284  3099.26    279.845  3158.26    330.315  2949.25    526.753  75.861  4.0346  72.426  6.7944  3.435532       7.902024  
1 1 1 -23 10  15 o 49.348  4.2190  1344.65    223.334  1333.42    261.735  1374.72    428.294  48.950  5.0072  48.581  8.4463  0.3693352      9.818967  
1 1 1 -23 10  16 o 39.339  5.4707  872.600    226.787  1055.75    266.576  392.733    431.496  43.227  5.8435  28.282  10.529  14.94512       12.04210  
1 1 1 -23 10  17 o 30.460  6.2302  536.740    198.611  741.387    262.905  264.687    303.125  35.678  7.0533  23.676  8.8230  12.00262       11.29581  
1 1 1 -23 10  18 o 14.660  6.3435  -12.1319   185.164  -75.7400   241.180  79.184     288.974  15.686  6.9952  19.692  8.1937  -4.005966      10.77362  
1 1 1 -23 10  19 o 18.884  7.4971  125.196    228.863  266.683    344.222  13.100     306.392  24.226  9.3170  19.029  8.1972  5.197092       12.40969  
1 1 1 -23 10  20 o 69.442  3.7283  2662.63    279.393  2364.45    384.064  2997.80    407.192  64.677  5.5359  73.058  5.1794  -8.381798      7.581100  
1 1 1 -23 10  21 o 18.626  7.3437  132.359    218.185  92.130     294.385  181.390    325.001  19.801  8.2571  22.053  8.8734  -2.252031      12.12090  
1 1 1 -23 10  22 o 34.075  6.9882  698.998    249.254  714.414    360.700  684.908    344.832  33.339  9.5182  32.744  9.2920  0.5957489      13.30177  
1 1 1 -23 10  23 o 31.896  9.3911  676.360    346.266  676.360    346.266  0.0000     0.0000   31.896  9.3911  ?       ?       0.000000       9.391090  
1 1 1 -23 10  24 o 39.908  9.3672  1086.92    397.946  1086.92    397.946  0.0000     0.0000   39.908  9.3672  ?       ?       0.000000       9.367150  
1 1 1 -23 10  25 o 38.280  9.1135  1007.91    372.419  1007.91    372.419  0.0000     0.0000   38.280  9.1135  ?       ?       0.000000       9.113496  
1 1 1 -23 10  26 o 52.342  7.3548  1757.12    405.456  1757.12    405.456  0.0000     0.0000   52.342  7.3548  ?       ?       0.000000       7.354846  
1 1 1 -23 10  27 o 14.205  6.8823  -372.3176  327.277  -372.3176  327.277  0.0000     0.0000   14.205  6.8823  ?       ?       0.000000       6.882328  
1 1 1 -23 10  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 11  1  o 59.513  3.4396  1932.34    220.767  1891.80    291.955  1986.48    337.368  58.706  4.6292  60.056  5.2390  -1.349682      6.991169  
1 1 1 -23 11  2  o 68.259  3.2606  2532.55    241.065  2401.14    319.848  2705.36    366.786  66.207  4.4868  70.230  4.8517  -4.022797      6.608343  
1 1 1 -23 11  3  o 20.985  6.9902  230.059    186.057  496.299    240.194  -169.3439  294.191  29.429  7.5105  16.565  7.5255  12.86363       10.63207  
1 1 1 -23 11  4  o 184.186 3.7415  18462.62   746.409  18190.60   1047.60  18743.08   1063.74  182.373 5.3035  185.121 5.3053  -2.748199      7.501591  
1 1 1 -23 11  5  o 250.794 4.6142  34325.86   1253.39  33684.77   1768.78  34972.46   1776.36  247.449 6.5996  252.192 6.5032  -4.742355      9.265332  
1 1 1 -23 11  6  o 156.922 3.4480  13395.69   586.032  13279.87   815.832  13519.17   842.353  155.904 4.8314  157.270 4.9451  -1.365509      6.913512  
1 1 1 -23 11  7  o 140.740 3.3141  10773.87   505.188  11031.14   700.887  10495.69   728.820  142.135 4.5528  138.565 4.8562  3.570770       6.656608  
1 1 1 -23 11  8  o 80.338  3.1952  3510.29    278.026  3732.16    394.183  3290.64    392.201  82.562  4.4242  77.454  4.6973  5.107269       6.452761  
1 1 1 -23 11  9  o 98.389  3.0814  5264.58    328.371  5423.49    383.998  4832.16    633.429  99.793  3.5527  93.439  6.2956  6.354713       7.228873  
1 1 1 -23 11  10 o 79.037  3.1131  3398.58    266.495  3445.76    311.639  3270.19    514.075  79.519  3.6183  76.762  6.2371  2.757973       7.210690  
1 1 1 -23 11  11 o 64.125  3.4642  2246.76    239.713  2196.84    285.449  2366.19    441.513  63.277  4.1886  65.157  6.3364  -1.879333      7.595717  
1 1 1 -23 11  12 o 84.843  3.1331  3919.11    287.913  4076.43    339.136  3513.10    544.823  86.452  3.6218  79.427  6.3871  7.025505       7.342561  
1 1 1 -23 11  13 o 74.139  3.3835  2996.95    271.695  2834.50    318.436  3431.72    520.934  71.873  4.1077  78.491  6.1775  -6.618607      7.418543  
1 1 1 -23 11  14 o 42.624  4.7000  1009.68    213.375  1023.05    250.668  974.500    406.587  42.699  5.5514  40.506  9.4418  2.192890       10.95291  
1 1 1 -23 11  15 o 19.376  7.1078  173.209    195.345  153.156    222.638  240.287    407.186  19.556  7.4997  25.358  10.021  -5.801563      12.51694  
1 1 1 -23 11  16 o 51.345  4.2458  1457.23    233.996  1214.64    270.713  2174.00    465.332  46.519  5.4778  61.806  7.0788  -15.28716      8.950788  
1 1 1 -23 11  17 o 36.751  5.5598  766.523    214.390  743.140    293.621  793.225    313.768  35.472  7.8501  36.583  8.1297  -1.111507      11.30121  
1 1 1 -23 11  18 o 56.929  3.7848  1787.33    232.039  1962.67    308.668  1559.48    351.865  59.336  4.8452  52.303  6.3408  7.032997       7.980075  
1 1 1 -23 11  19 o 56.444  4.0581  1765.06    246.431  1572.47    342.058  1972.90    355.333  52.501  6.1308  59.103  5.6184  -6.601387      8.315854  
1 1 1 -23 11  20 o 62.032  4.0945  2135.00    273.553  2151.63    384.853  2118.02    388.903  61.525  5.8455  60.980  5.9645  0.5445175      8.351403  
1 1 1 -23 11  21 o 62.386  5.8649  2223.32    391.642  2223.32    391.642  0.0000     0.0000   62.386  5.8649  ?       ?       0.000000       5.864895  
1 1 1 -23 11  22 o 37.498  8.7156  884.643    347.254  884.643    347.254  0.0000     0.0000   37.498  8.7156  ?       ?       0.000000       8.715631  
1 1 1 -23 11  23 o 13.869  6.7186  -428.1017  311.670  -428.1017  311.670  0.0000     0.0000   13.869  6.7186  ?       ?       0.000000       6.718574  
1 1 1 -23 11  24 o 18.095  8.1193  -29.4035   330.310  -29.4035   330.310  0.0000     0.0000   18.095  8.1193  ?       ?       0.000000       8.119348  
1 1 1 -23 11  25 o 30.156  10.200  662.492    396.124  662.492    396.124  0.0000     0.0000   30.156  10.200  ?       ?       0.000000       10.19981  
1 1 1 -23 11  26 o 30.098  9.7226  669.882    361.110  669.882    361.110  0.0000     0.0000   30.098  9.7226  ?       ?       0.000000       9.722577  
1 1 1 -23 11  27 o 22.520  9.1321  309.650    347.127  309.650    347.127  0.0000     0.0000   22.520  9.1321  ?       ?       0.000000       9.132099  
1 1 1 -23 11  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 12  1  o 102.686 3.0594  5729.35    340.265  5484.98    461.978  6019.11    503.056  100.318 4.2518  105.062 4.4208  -4.743889      6.133605  
1 1 1 -23 12  2  o 27.358  6.1443  426.641    177.614  383.773    224.922  497.655    289.492  26.074  7.5381  29.598  8.5505  -3.524378      11.39889  
1 1 1 -23 12  3  o 38.292  5.0046  814.281    202.593  779.492    265.245  862.995    313.875  37.069  6.8590  38.863  7.7289  -1.793552      10.33353  
1 1 1 -23 12  4  o 33.833  5.7278  643.892    202.400  736.359    259.343  499.821    323.719  35.991  6.9041  29.859  9.1473  6.131989       11.46034  
1 1 1 -23 12  5  o 88.484  3.1962  4256.02    306.319  4121.74    415.715  4415.54    453.095  86.814  4.4359  89.816  4.6738  -3.001259      6.443750  
1 1 1 -23 12  6  o 36.542  5.3131  745.768    204.128  461.997    265.230  1158.07    319.701  28.494  8.1707  45.389  6.7049  -16.89533      10.56959  
1 1 1 -23 12  7  o 47.927  2.2074  1246.36    114.584  1256.06    272.990  1244.29    126.243  47.588  5.3916  47.814  2.4459  -0.2262230     5.920413  
1 1 1 -23 12  8  o 11.716  5.4075  -126.2259  160.141  -224.5302  204.023  31.530     258.456  12.394  5.8442  18.286  7.6887  -5.892511      9.657650  
1 1 1 -23 12  9  o 106.853 3.0731  6209.56    355.654  6191.83    412.883  6260.56    700.186  106.621 3.5753  106.465 6.0974  0.1557617      7.068352  
1 1 1 -23 12  10 o 137.165 3.2982  10242.00   489.993  10395.88   555.921  9706.22    1037.34  138.094 3.7168  132.021 7.2827  6.073105       8.176295  
1 1 1 -23 12  11 o 62.407  3.4225  2127.95    230.459  2058.61    271.292  2307.70    436.802  61.258  4.1127  64.330  6.3520  -3.072124      7.567151  
1 1 1 -23 12  12 o 80.095  3.3026  3495.02    286.501  3518.13    343.165  3441.86    520.502  80.257  3.9478  78.680  6.1569  1.576561       7.313837  
1 1 1 -23 12  13 o 52.824  4.1426  1535.83    235.115  1661.52    279.192  1229.33    435.980  54.822  4.7488  45.803  9.1089  9.018902       10.27244  
1 1 1 -23 12  14 o 104.622 3.1934  5967.58    361.867  5870.76    422.611  6233.65    700.568  103.635 3.7650  105.817 6.1390  -2.181602      7.201529  
1 1 1 -23 12  15 o 80.379  3.4363  3528.33    299.165  3614.20    348.388  3287.23    583.781  81.241  3.9593  76.234  7.1539  5.006485       8.176415  
1 1 1 -23 12  16 o 69.371  3.8980  2645.47    291.693  2561.92    350.143  2834.95    527.309  68.009  4.7839  70.702  6.9770  -2.693054      8.459558  
1 1 1 -23 12  17 o 22.071  7.0404  272.228    189.808  334.677    247.124  182.391    296.404  24.497  8.0512  21.851  8.5772  2.646132       11.76391  
1 1 1 -23 12  18 o 31.401  6.0520  570.131    198.365  592.387    258.405  538.200    309.524  31.581  7.6379  30.023  8.8897  1.558159       11.72029  
1 1 1 -23 12  19 o 20.951  7.8207  206.394    238.366  53.665     283.095  578.441    441.847  19.011  8.0230  31.276  10.769  -12.26443      13.42896  
1 1 1 -23 12  20 o 24.457  8.7601  321.256    294.402  321.256    294.402  0.0000     0.0000   24.457  8.7601  ?       ?       0.000000       8.760102  
1 1 1 -23 12  21 o 19.643  8.2976  70.227     303.285  70.227     303.285  0.0000     0.0000   19.643  8.2976  ?       ?       0.000000       8.297571  
1 1 1 -23 12  22 f 21.103  8.6912  147.918    320.489  147.918    320.489  0.0000     0.0000   21.103  8.6912  ?       ?       0.000000       8.691190  
1 1 1 -23 12  23 o 32.538  9.8780  719.971    378.669  719.971    378.669  0.0000     0.0000   32.538  9.8780  ?       ?       0.000000       9.878040  
1 1 1 -23 12  24 o 30.996  8.4448  638.987    291.217  544.178    354.970  834.162    509.305  28.207  9.6549  33.055  11.551  -4.847740      15.05501  
1 1 1 -23 12  25 o 19.035  1.9788  200.489    40.201   147.341    348.132  201.208    40.472   20.652  8.8131  19.067  1.9890  1.584274       9.034770  
1 1 1 -23 12  26 o 17.636  8.0004  -35.1443   330.979  -35.1443   330.979  0.0000     0.0000   17.636  8.0004  ?       ?       0.000000       8.000443  
1 1 1 -23 12  27 o 23.123  9.6570  322.001    403.523  322.001    403.523  0.0000     0.0000   23.123  9.6570  ?       ?       0.000000       9.656987  
1 1 1 -23 12  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 13  1  o 38.541  5.3027  827.323    215.490  857.408    279.685  783.373    338.040  38.908  6.8890  36.830  8.6257  2.077744       11.03906  
1 1 1 -23 13  2  o 65.591  3.3398  2345.16    236.484  2437.19    311.847  2220.60    362.779  66.723  4.3388  63.497  5.3241  3.225185       6.868080  
1 1 1 -23 13  3  o 165.116 3.5261  14830.32   630.597  13961.24   878.409  15754.48   905.820  159.825 5.0744  169.825 4.9246  -9.999512      7.071127  
1 1 1 -23 13  4  o 120.580 3.1233  7901.93    407.911  6866.71    553.861  9129.06    603.015  112.179 4.5585  129.399 4.3026  -17.21947      6.268301  
1 1 1 -23 13  5  o 204.073 4.0248  22691.10   889.616  23477.57   1251.67  21888.26   1264.64  207.000 5.5828  199.759 5.8451  7.240723       8.082850  
1 1 1 -23 13  6  o 62.366  3.5404  2123.44    238.166  2226.23    310.090  1975.59    371.910  63.705  4.5235  59.732  5.8226  3.972576       7.373284  
1 1 1 -23 13  7  o 73.625  3.3055  2948.70    263.596  2972.56    346.946  2916.11    405.404  73.674  4.3673  72.805  5.1748  0.8689804      6.771407  
1 1 1 -23 13  8  o 105.773 3.0453  6083.01    348.879  6404.92    407.303  5196.15    676.061  108.472 3.4668  96.879  6.4804  11.59357       7.349411  
1 1 1 -23 13  9  o 173.206 3.5879  16342.13   673.096  16532.92   778.872  15779.31   1337.74  174.049 4.1317  168.646 7.3236  5.402466       8.408662  
1 1 1 -23 13  10 o 53.302  3.8991  1558.02    223.542  1719.41    271.086  1215.08    395.166  55.895  4.5164  45.987  8.2362  9.908054       9.393246  
1 1 1 -23 13  11 o 16.828  6.4534  107.827    164.852  143.813    195.436  19.078     306.918  18.693  7.0603  19.524  8.3019  -0.8304939     10.89816  
1 1 1 -23 13  12 o 39.288  4.6184  856.992    192.778  877.872    229.922  807.571    353.736  39.568  5.5148  37.100  8.9142  2.468552       10.48217  
1 1 1 -23 13  13 o 29.719  6.5268  508.890    204.339  438.965    242.109  682.039    380.981  27.573  7.7725  34.048  9.8011  -6.475855      12.50898  
1 1 1 -23 13  14 o 91.544  3.3632  4572.39    333.469  4433.66    395.799  4911.77    619.066  89.991  4.0607  93.892  6.1210  -3.900581      7.345472  
1 1 1 -23 13  15 o 100.676 3.2329  5530.26    352.526  5569.80    407.668  5413.05    701.933  100.911 3.7299  98.231  6.6364  2.679886       7.612737  
1 1 1 -23 13  16 o 70.532  3.6805  2730.42    280.192  2756.52    326.803  2658.00    544.385  70.703  4.2878  68.192  7.4943  2.511429       8.634182  
1 1 1 -23 13  17 o 43.451  4.7549  1054.58    220.125  1081.87    252.799  969.008    447.661  43.814  5.4445  39.732  10.313  4.081745       11.66157  
1 1 1 -23 13  18 o 63.029  5.1103  2220.57    345.862  2220.57    345.862  0.0000     0.0000   63.029  5.1103  ?       ?       0.000000       5.110274  
1 1 1 -23 13  19 o 58.035  5.5824  1902.83    346.567  1902.83    346.567  0.0000     0.0000   58.035  5.5824  ?       ?       0.000000       5.582408  
1 1 1 -23 13  20 o 28.732  8.7542  497.751    297.019  497.751    297.019  0.0000     0.0000   28.732  8.7542  ?       ?       0.000000       8.754235  
1 1 1 -23 13  21 o 65.164  5.6403  2417.34    394.166  2417.34    394.166  0.0000     0.0000   65.164  5.6403  ?       ?       0.000000       5.640347  
1 1 1 -23 13  22 o 34.478  9.6232  771.816    373.055  771.816    373.055  0.0000     0.0000   34.478  9.6232  ?       ?       0.000000       9.623200  
1 1 1 -23 13  23 o 22.194  7.9226  285.314    240.607  104.761    332.328  484.220    348.810  20.241  8.6235  27.395  9.5604  -7.154142      12.87508  
1 1 1 -23 13  24 o 56.093  4.8904  1820.96    294.143  1955.56    428.823  1701.35    404.227  56.130  7.2211  52.201  7.3533  3.928913       10.30604  
1 1 1 -23 13  25 o 39.197  6.4099  946.019    262.719  928.885    364.164  964.615    379.384  36.548  9.2046  37.055  9.4294  -0.5068970     13.17721  
1 1 1 -23 13  26 f 32.197  9.5296  761.140    355.738  761.140    355.738  0.0000     0.0000   32.197  9.5296  ?       ?       0.000000       9.529558  
1 1 1 -23 13  27 f 37.435  10.037  1076.16    415.279  1076.16    415.279  0.0000     0.0000   37.435  10.037  ?       ?       0.000000       10.03668  
1 1 1 -23 13  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 14  1  o 146.779 3.3408  11715.20   531.104  11598.72   744.240  11836.08   758.140  145.752 4.7144  147.225 4.7544  -1.473557      6.695542  
1 1 1 -23 14  2  f 137.220 3.2953  10237.47   489.756  10135.59   683.918  10344.71   701.663  136.273 4.6337  137.655 4.7062  -1.381775      6.604443  
1 1 1 -23 14  3  o 189.586 3.8300  19569.38   786.454  19549.92   1099.36  19589.78   1125.53  189.004 5.3703  189.151 5.4939  -0.1465759     7.682620  
1 1 1 -23 14  4  o 195.797 3.9050  20879.22   828.117  20791.78   1164.01  20968.84   1178.40  194.839 5.5158  195.649 5.5609  -0.8098450     7.832467  
1 1 1 -23 14  5  o 104.893 3.2338  5982.37    367.396  6240.24    514.801  5714.69    524.488  106.941 4.4445  102.287 4.7342  4.653954       6.493566  
1 1 1 -23 14  6  o 35.145  5.1040  689.450    188.605  579.103    234.238  892.875    318.039  31.795  6.9921  39.500  7.7105  -7.705658      10.40872  
1 1 1 -23 14  7  o 61.319  3.1639  2050.04    209.415  2032.17    252.355  2089.56    375.297  60.953  3.8422  61.451  5.7038  -0.4977913     6.877141  
1 1 1 -23 14  8  o 43.119  4.3329  1025.04    199.616  1185.34    237.860  643.266    367.076  46.310  4.8125  33.385  9.6237  12.92452       10.75986  
1 1 1 -23 14  9  o 71.474  3.1517  2779.18    243.981  2711.81    283.110  2973.64    480.972  70.442  3.7239  73.229  6.1202  -2.786804      7.164131  
1 1 1 -23 14  10 o 61.336  3.5261  2056.39    233.263  2201.75    276.846  1700.65    433.105  63.382  4.0540  54.829  7.4889  8.552734       8.515777  
1 1 1 -23 14  11 o 77.191  3.1461  3243.35    263.033  3644.87    308.652  2178.19    502.720  81.783  3.4845  62.067  7.6394  19.71554       8.396577  
1 1 1 -23 14  12 o 108.990 3.1319  6468.48    369.717  6648.99    431.474  5969.82    717.153  110.402 3.6084  103.615 6.4219  6.786812       7.366218  
1 1 1 -23 14  13 o 52.117  3.9835  1493.81    223.160  1667.79    264.394  1062.84    416.132  54.979  4.4790  42.431  9.3105  12.54800       10.33185  
1 1 1 -23 14  14 o 21.652  7.3031  248.316    203.074  305.092    244.015  120.400    366.264  23.830  8.0057  22.581  9.2945  1.248259       12.26698  
1 1 1 -23 14  15 o 16.031  6.6558  42.200     190.080  -101.2028  215.119  552.884    405.952  14.419  6.5039  31.160  10.323  -16.74104      12.20087  
1 1 1 -23 14  16 o 32.155  6.8349  601.216    230.710  694.319    271.831  361.408    436.262  34.422  7.5028  27.753  10.533  6.669121       12.93166  
1 1 1 -23 14  17 o 60.453  4.8729  2033.55    316.354  2033.55    316.354  0.0000     0.0000   60.453  4.8729  ?       ?       0.000000       4.872936  
1 1 1 -23 14  18 o 76.951  4.5090  3282.60    374.165  3282.60    374.165  0.0000     0.0000   76.951  4.5090  ?       ?       0.000000       4.509003  
1 1 1 -23 14  19 o 17.846  7.7523  -9.9628    278.668  -9.9628    278.668  0.0000     0.0000   17.846  7.7523  ?       ?       0.000000       7.752266  
1 1 1 -23 14  20 o 21.043  8.6874  121.730    321.206  121.730    321.206  0.0000     0.0000   21.043  8.6874  ?       ?       0.000000       8.687390  
1 1 1 -23 14  21 o 14.699  6.7162  -127.5087  238.618  -496.7943  342.450  220.997    332.675  14.558  7.0499  22.854  9.0499  -8.296210      11.47178  
1 1 1 -23 14  22 o 45.877  5.5365  1215.03    269.542  1098.89    388.749  1322.55    374.054  41.680  8.8830  46.650  7.6698  -4.969604      11.73594  
1 1 1 -23 14  23 o 21.844  7.9310  271.345    242.312  201.045    336.085  347.449    349.681  21.814  8.9321  24.605  9.4077  -2.790712      12.97254  
1 1 1 -23 14  24 o 32.317  7.3845  665.134    252.822  731.071    355.815  597.898    359.301  32.437  9.5110  29.367  9.7107  3.070940       13.59252  
1 1 1 -23 14  25 o 30.324  8.5519  626.702    293.031  791.562    374.813  367.514    469.963  33.116  9.7763  25.144  10.455  7.972338       14.31345  
1 1 1 -23 14  26 o 21.626  9.1839  214.026    374.693  214.026    374.693  0.0000     0.0000   21.626  9.1839  ?       ?       0.000000       9.183905  
1 1 1 -23 14  27 o 26.996  10.313  565.708    420.003  565.708    420.003  0.0000     0.0000   26.996  10.313  ?       ?       0.000000       10.31310  
1 1 1 -23 14  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 15  1  f 67.966  3.3062  2511.92    243.379  2602.71    329.948  2403.57    360.452  68.929  4.4431  66.112  5.0725  2.817360       6.743265  
1 1 1 -23 15  2  o 44.831  4.4006  1106.56    210.924  1169.18    272.005  1012.12    334.050  45.871  5.5905  42.174  7.5922  3.696243       9.428382  
1 1 1 -23 15  3  o 84.931  3.0900  3920.31    284.244  3651.05    379.016  4266.40    429.703  81.716  4.2974  88.311  4.5075  -6.595001      6.227789  
1 1 1 -23 15  4  o 43.339  4.4884  1035.69    207.634  970.644    271.892  1126.70    321.606  41.593  6.2270  44.727  6.8575  -3.134102      9.262841  
1 1 1 -23 15  5  o 127.591 3.2426  8852.35    448.104  8153.14    615.839  9639.07    653.245  122.185 4.6535  132.880 4.5388  -10.69555      6.500481  
1 1 1 -23 15  6  o 44.439  4.2999  1087.26    204.373  1068.61    256.929  1119.39    337.235  43.816  5.5375  44.457  7.2539  -0.6401558     9.125914  
1 1 1 -23 15  7  o 74.093  3.1879  2985.72    255.832  3039.78    291.613  2805.06    533.045  74.717  3.6034  70.911  7.0331  3.806328       7.902497  
1 1 1 -23 15  8  o 88.049  3.0552  4215.75    291.359  4055.49    334.790  4716.00    591.509  86.293  3.5820  92.419  5.9407  -6.125908      6.937067  
1 1 1 -23 15  9  o 15.253  6.1810  55.222     158.909  31.355     185.300  121.565    308.943  15.711  6.5513  21.344  8.6291  -5.632678      10.83426  
1 1 1 -23 15  10 o 72.832  3.1315  2886.56    247.025  2937.03    301.300  2783.07    431.441  73.285  3.8090  70.914  5.6645  2.371445       6.826056  
1 1 1 -23 15  11 o 134.454 3.2653  9844.80    475.512  10089.40   552.709  9148.02    932.854  135.993 3.7524  128.289 6.7372  7.703995       7.711671  
1 1 1 -23 15  12 o 141.395 3.3189  10894.75   508.265  11154.60   590.081  10147.71   1000.49  142.929 3.8117  134.928 6.8688  8.000549       7.855522  
1 1 1 -23 15  13 f 87.065  3.1702  4130.98    298.950  4444.12    353.716  3348.02    559.307  90.219  3.6198  77.263  6.7514  12.95605       7.660576  
1 1 1 -23 15  14 o 38.319  5.6115  827.943    225.993  732.892    263.231  1094.42    440.742  35.618  7.0728  42.847  9.7203  -7.229527      12.02121  
1 1 1 -23 15  15 o 20.124  7.8922  146.701    250.731  146.701    250.731  0.0000     0.0000   20.124  7.8922  ?       ?       0.000000       7.892174  
1 1 1 -23 15  16 o 18.090  7.3586  84.888     226.217  84.888     226.217  0.0000     0.0000   18.090  7.3586  ?       ?       0.000000       7.358579  
1 1 1 -23 15  17 o 55.943  5.3650  1753.89    321.095  1753.89    321.095  0.0000     0.0000   55.943  5.3650  ?       ?       0.000000       5.365047  
1 1 1 -23 15  18 o 53.416  5.2586  1602.31    300.297  1602.31    300.297  0.0000     0.0000   53.416  5.2586  ?       ?       0.000000       5.258642  
1 1 1 -23 15  19 o 29.893  8.9521  539.488    312.565  539.488    312.565  0.0000     0.0000   29.893  8.9521  ?       ?       0.000000       8.952082  
1 1 1 -23 15  20 o 36.313  6.4903  770.224    245.901  1259.67    362.363  352.444    334.786  46.184  7.5015  25.639  9.3202  20.54540       11.96406  
1 1 1 -23 15  21 o 18.313  7.5267  92.163     239.763  205.988    348.134  -10.5408   330.689  22.855  9.1881  19.114  8.3710  3.740467       12.42960  
1 1 1 -23 15  22 o 44.782  1.8944  1093.02    91.886   930.373    344.927  1105.44    95.331   38.445  8.5085  45.027  1.9548  -6.581276      8.730206  
1 1 1 -23 15  23 o 64.880  4.1164  2376.47    287.765  2552.50    435.195  2239.70    383.595  65.609  6.1976  61.760  5.8026  3.849575       8.490002  
1 1 1 -23 15  24 o 68.571  2.6948  2594.81    200.139  2663.34    232.921  2401.46    391.246  69.259  3.1050  63.715  5.7307  5.543865       6.517826  
1 1 1 -23 15  25 o 55.925  5.1999  1840.37    311.362  1906.23    383.876  1713.72    532.326  55.745  6.4788  48.590  10.427  7.154655       12.27583  
1 1 1 -23 15  26 o 17.354  7.7992  -10.3667   306.063  -10.3667   306.063  0.0000     0.0000   17.354  7.7992  ?       ?       0.000000       7.799209  
1 1 1 -23 15  27 o 20.309  1.7561  227.530    38.248   227.530    38.248   0.0000     0.0000   20.309  1.7561  ?       ?       0.000000       1.756123  
1 1 1 -23 15  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 16  1  o 75.077  3.8179  3077.41    309.436  2986.86    493.963  3135.89    396.981  73.458  6.2685  75.599  4.8742  -2.140938      7.940560  
1 1 1 -23 16  2  o 105.713 3.0993  6074.09    354.858  6016.08    488.572  6138.86    516.261  105.031 4.2948  106.062 4.4941  -1.031235      6.216266  
1 1 1 -23 16  3  o 29.703  5.8037  500.110    180.018  322.092    223.849  825.998    302.871  24.239  7.6366  37.993  7.6252  -13.75397      10.79178  
1 1 1 -23 16  4  o 29.672  5.8476  499.446    181.249  574.369    227.609  369.594    299.644  31.694  6.8316  26.440  8.8715  5.253872       11.19709  
1 1 1 -23 16  5  o 173.263 3.6123  16341.63   677.882  15646.47   946.129  17074.91   971.724  169.083 5.1663  176.664 5.0784  -7.580902      7.244364  
1 1 1 -23 16  6  o 222.429 3.7662  26948.95   907.338  26845.99   1165.18  27107.55   1446.23  221.581 4.8550  222.091 6.0122  -0.5106506     7.727738  
1 1 1 -23 16  7  o 63.383  3.4238  2192.78    234.175  2097.18    265.194  2531.19    498.969  61.896  3.9768  67.344  6.9402  -5.447758      7.998845  
1 1 1 -23 16  8  o 95.387  3.0302  4947.72    313.059  4930.92    359.842  5000.01    634.920  95.161  3.4913  95.079  6.1994  0.8199310E-01  7.114834  
1 1 1 -23 16  9  o 73.757  3.1493  2959.92    251.590  3218.17    292.614  2227.72    492.707  76.863  3.5148  62.939  7.3671  13.92424       8.162598  
1 1 1 -23 16  10 o 76.762  3.2698  3207.99    271.854  3241.85    321.958  3123.90    507.426  76.989  3.8734  74.963  6.3083  2.025986       7.402531  
1 1 1 -23 16  11 o 153.768 3.4732  12886.87   578.452  12772.43   671.006  13217.98   1141.39  152.908 4.0516  154.327 6.8285  -1.419678      7.939984  
1 1 1 -23 16  12 o 52.265  3.9072  1500.45    219.583  1369.45    262.259  1807.64    401.591  49.704  4.9369  56.693  6.6675  -6.989189      8.296246  
1 1 1 -23 16  13 o 81.581  3.2640  3628.58    288.409  3663.97    343.851  3544.60    529.681  81.865  3.8780  79.721  6.1828  2.143845       7.298292  
1 1 1 -23 16  14 f 70.369  4.7078  2733.50    356.744  2733.50    356.744  0.0000     0.0000   70.369  4.7078  ?       ?       0.000000       4.707794  
1 1 1 -23 16  15 o 74.325  4.5781  3048.95    366.755  3048.95    366.755  0.0000     0.0000   74.325  4.5781  ?       ?       0.000000       4.578139  
1 1 1 -23 16  16 o 83.990  4.4797  3894.00    406.051  3894.00    406.051  0.0000     0.0000   83.990  4.4797  ?       ?       0.000000       4.479726  
1 1 1 -23 16  17 o 67.774  4.6333  2547.88    338.072  2547.88    338.072  0.0000     0.0000   67.774  4.6333  ?       ?       0.000000       4.633274  
1 1 1 -23 16  18 o 16.030  6.7194  36.621     196.412  3.0344     223.162  152.064    413.734  16.319  7.0124  23.737  9.8344  -7.418152      12.07848  
1 1 1 -23 16  19 o 53.355  4.2547  1583.06    243.834  1565.31    331.998  1603.85    359.281  52.411  5.9542  52.859  6.4063  -0.4477119     8.746044  
1 1 1 -23 16  20 o 53.035  2.5672  1535.69    147.465  1798.47    358.930  1482.32    161.747  56.111  5.9989  51.972  2.8847  4.139046       6.656450  
1 1 1 -23 16  21 o 32.625  6.7028  633.122    228.927  575.506    329.805  686.694    318.019  30.391  9.2170  33.196  8.7290  -2.805187      12.69442  
1 1 1 -23 16  22 o 44.413  1.9016  1075.30    91.475   821.910    347.014  1094.22    94.829   35.769  8.9725  44.794  1.9546  -9.024616      9.182958  
1 1 1 -23 16  23 o 38.443  6.1876  887.552    248.897  1085.98    378.671  736.618    330.260  40.678  8.8468  33.252  8.9655  7.425911       12.59550  
1 1 1 -23 16  24 o 38.744  5.9625  903.370    242.182  882.686    349.753  922.424    335.674  36.099  8.9817  37.334  8.4927  -1.235027      12.36106  
1 1 1 -23 16  25 o 15.954  7.2816  -82.9798   279.548  169.636    359.668  -468.4411  444.286  21.090  8.9780  16.624  8.0455  4.466002       12.05550  
1 1 1 -23 16  26 o 19.248  8.7323  -0.1980    394.386  -0.1980    394.386  0.0000     0.0000   19.248  8.7323  ?       ?       0.000000       8.732283  
1 1 1 -23 16  27 o 34.110  10.571  944.730    430.889  944.730    430.889  0.0000     0.0000   34.110  10.571  ?       ?       0.000000       10.57069  
1 1 1 -23 16  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 17  1  o 52.297  4.5960  1504.62    257.690  1536.97    399.330  1481.54    337.324  52.272  7.2483  51.572  6.1609  0.7001572      9.512899  
1 1 1 -23 17  2  o 143.443 3.8750  11207.98   602.038  10913.73   1016.64  11366.90   747.129  140.749 6.6688  144.238 4.7824  -3.488754      8.206388  
1 1 1 -23 17  3  o 86.554  3.1157  4072.40    292.087  3966.08    383.498  4219.28    450.749  85.292  4.1513  87.755  4.7602  -2.463013      6.316049  
1 1 1 -23 17  4  o 52.202  3.9119  1492.83    219.571  1588.08    289.824  1364.52    336.396  53.653  5.0466  49.397  6.4407  4.255680       8.182384  
1 1 1 -23 17  5  o 26.790  6.6006  410.951    190.283  401.249    242.210  426.593    307.546  26.655  7.8561  27.889  8.9688  -1.234591      11.92297  
1 1 1 -23 17  6  o 17.870  6.4545  147.561    160.187  103.787    175.304  369.027    394.311  17.092  6.6278  27.808  10.114  -10.71637      12.09219  
1 1 1 -23 17  7  o 94.175  2.9682  4821.37    302.767  4732.24    342.960  5136.15    644.540  93.246  3.3958  96.395  6.2064  -3.149284      7.074636  
1 1 1 -23 17  8  o 123.289 3.1509  8268.93    420.751  8364.84    483.057  7967.40    856.490  123.917 3.5991  119.932 6.6192  3.985748       7.534388  
1 1 1 -23 17  9  o 91.282  3.0469  4532.49    301.242  4627.76    349.252  4255.66    595.341  92.172  3.4984  87.600  6.3171  4.571938       7.221130  
1 1 1 -23 17  10 o 29.536  5.9369  497.275    183.337  494.346    216.873  504.611    343.205  29.291  6.9421  29.944  9.4582  -0.6528492     11.73245  
1 1 1 -23 17  11 o 68.884  3.3716  2585.47    251.547  2421.37    296.562  3006.30    474.920  66.434  4.1421  73.560  6.0134  -7.126366      7.301939  
1 1 1 -23 17  12 o 66.089  2.6015  2374.74    186.218  2238.18    289.892  2470.68    242.980  63.821  4.2175  67.326  3.3321  -3.504784      5.374991  
1 1 1 -23 17  13 o 28.901  7.9593  485.677    257.073  485.677    257.073  0.0000     0.0000   28.901  7.9593  ?       ?       0.000000       7.959346  
1 1 1 -23 17  14 o 46.670  5.4402  1218.63    269.831  1218.63    269.831  0.0000     0.0000   46.670  5.4402  ?       ?       0.000000       5.440163  
1 1 1 -23 17  15 o 63.885  4.5994  2256.12    316.121  2256.12    316.121  0.0000     0.0000   63.885  4.5994  ?       ?       0.000000       4.599410  
1 1 1 -23 17  16 o 35.560  6.8408  732.917    253.906  732.917    253.906  0.0000     0.0000   35.560  6.8408  ?       ?       0.000000       6.840769  
1 1 1 -23 17  17 o 16.507  6.7672  62.640     193.199  81.814     217.528  -8.9827    420.426  17.703  7.2102  21.803  9.4964  -4.100376      11.92345  
1 1 1 -23 17  18 o 23.024  7.5969  295.722    219.944  304.840    256.468  270.372    427.627  23.722  8.2024  25.793  10.246  -2.070450      13.12446  
1 1 1 -23 17  19 o 69.138  2.6667  2609.98    199.695  1926.61    387.654  2856.83    232.987  58.051  6.2647  72.261  2.9768  -14.21028      6.936033  
1 1 1 -23 17  20 o 56.454  3.9269  1767.30    238.621  2134.95    360.379  1480.27    318.424  61.428  5.4739  50.895  5.8850  10.53341       8.037225  
1 1 1 -23 17  21 o 32.245  6.2790  613.140    211.404  337.143    327.652  809.977    276.704  24.969  9.1985  36.765  7.2064  -11.79664      11.68519  
1 1 1 -23 17  22 o 19.700  7.6215  178.269    231.390  268.102    361.732  116.053    301.036  23.721  9.4229  20.006  8.3469  3.714735       12.58817  
1 1 1 -23 17  23 o 50.272  4.3539  1439.60    234.731  1679.02    359.868  1262.31    309.677  52.877  6.4149  45.770  6.4237  7.107338       9.078298  
1 1 1 -23 17  24 o 16.105  7.0705  3.9603     237.212  -302.1962  374.539  209.023    306.527  16.393  7.7857  21.146  8.5792  -4.753132      11.58531  
1 1 1 -23 17  25 o 16.625  7.5318  -55.8735   292.187  -27.6637   386.607  -93.4504   446.200  19.082  8.6528  19.557  9.0263  -0.4744949     12.50378  
1 1 1 -23 17  26 o 23.230  9.6970  305.642    406.606  305.642    406.606  0.0000     0.0000   23.230  9.6970  ?       ?       0.000000       9.697028  
1 1 1 -23 17  27 o 22.968  9.7133  312.000    416.356  312.000    416.356  0.0000     0.0000   22.968  9.7133  ?       ?       0.000000       9.713258  
1 1 1 -23 17  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 18  1  o 146.128 3.8581  11632.88   610.635  10844.98   1035.09  12053.44   756.248  140.215 6.8158  148.533 4.7008  -8.318054      8.279611  
1 1 1 -23 18  2  o 157.219 3.9963  13470.81   680.512  13042.80   1155.85  13697.88   841.894  153.728 6.9419  158.285 4.9108  -4.556686      8.503253  
1 1 1 -23 18  3  o 152.499 3.3866  12651.76   559.366  12397.86   777.220  12924.59   805.672  150.627 4.7640  153.772 4.8374  -3.145096      6.789392  
1 1 1 -23 18  4  o 91.593  3.1113  4560.91    308.655  4807.63    414.371  4253.40    462.610  93.907  4.0740  88.074  4.8684  5.833923       6.348141  
1 1 1 -23 18  5  o 100.109 2.7249  5443.85    295.450  5392.21    366.250  5540.08    499.936  99.549  3.3968  100.710 4.5833  -1.160797      5.704784  
1 1 1 -23 18  6  o 191.995 3.7764  20083.14   785.300  19476.64   904.524  21939.67   1582.53  188.863 4.4218  199.020 7.3415  -10.15680      8.570334  
1 1 1 -23 18  7  o 69.667  3.1223  2639.72    235.602  2602.49    263.467  2788.30    526.372  69.043  3.5350  70.682  6.9662  -1.638794      7.811802  
1 1 1 -23 18  8  o 38.921  4.6316  839.807    191.410  820.474    214.302  916.073    425.641  38.326  5.3047  39.487  9.9549  -1.160900      11.28006  
1 1 1 -23 18  9  o 18.971  1.3679  196.082    27.918   171.646    200.492  196.565    28.192   19.567  7.1974  18.993  1.3799  0.5741653      7.328491  
1 1 1 -23 18  10 o 161.694 3.6001  14252.37   630.495  14541.87   703.554  13071.63   1420.88  163.209 3.9800  152.268 8.6511  10.94086       9.522718  
1 1 1 -23 18  11 o 100.425 3.2169  5492.65    349.900  5516.93    413.517  5431.43    656.555  100.535 3.7976  98.945  6.1570  1.590698       7.233928  
1 1 1 -23 18  12 o 88.045  4.3910  4246.36    418.735  4246.36    418.735  0.0000     0.0000   88.045  4.3910  ?       ?       0.000000       4.390990  
1 1 1 -23 18  13 o 72.386  4.4125  2883.56    344.292  2883.56    344.292  0.0000     0.0000   72.386  4.4125  ?       ?       0.000000       4.412451  
1 1 1 -23 18  14 o 43.165  6.0546  1053.10    275.279  1053.10    275.279  0.0000     0.0000   43.165  6.0546  ?       ?       0.000000       6.054592  
1 1 1 -23 18  15 o 40.491  6.0947  931.314    259.006  931.314    259.006  0.0000     0.0000   40.491  6.0947  ?       ?       0.000000       6.094739  
1 1 1 -23 18  16 o 75.809  3.4245  3143.20    281.184  3114.90    322.131  3233.75    576.293  75.241  3.9668  75.371  7.1448  -0.1295319     8.172142  
1 1 1 -23 18  17 o 33.383  6.0536  641.759    210.824  677.471    238.248  512.876    452.607  34.125  6.6850  30.409  10.865  3.716721       12.75679  
1 1 1 -23 18  18 f 56.029  4.1753  1739.98    251.559  1607.86    290.455  2136.59    503.227  53.556  5.0675  60.484  7.8680  -6.927521      9.358669  
1 1 1 -23 18  19 o 25.462  7.0702  383.220    201.917  291.198    319.350  444.510    260.625  24.225  9.0505  27.323  8.1727  -3.097179      12.19448  
1 1 1 -23 18  20 o 49.625  4.2915  1374.23    228.394  1691.98    347.333  1132.18    303.152  54.383  5.9964  44.143  6.5384  10.24061       8.871703  
1 1 1 -23 18  21 o 36.488  5.8804  774.396    224.495  591.180    366.651  884.276    283.943  30.677  9.7851  38.500  7.0698  -7.822592      12.07190  
1 1 1 -23 18  22 o 26.423  7.3267  430.797    216.993  509.833    323.826  366.386    292.333  28.300  9.2122  24.836  8.7469  3.464005       12.70327  
1 1 1 -23 18  23 o 26.827  7.5063  457.879    226.684  466.088    326.203  450.212    315.237  26.739  9.2503  26.368  9.0951  0.3708382      12.97261  
1 1 1 -23 18  24 o 15.903  6.9942  -0.7120    233.038  205.127    359.907  -149.3086  305.796  21.885  9.1285  16.040  7.4275  5.845016       11.76846  
1 1 1 -23 18  25 o 33.621  10.679  862.230    437.028  862.230    437.028  0.0000     0.0000   33.621  10.679  ?       ?       0.000000       10.67867  
1 1 1 -23 18  26 o 21.948  9.5538  197.682    424.962  197.682    424.962  0.0000     0.0000   21.948  9.5538  ?       ?       0.000000       9.553754  
1 1 1 -23 18  27 o 23.585  9.9297  351.278    432.003  351.278    432.003  0.0000     0.0000   23.585  9.9297  ?       ?       0.000000       9.929709  
1 1 1 -23 18  28 o 20.357  9.9292  -417.7399  712.924  -417.7399  712.924  0.0000     0.0000   20.357  9.9292  ?       ?       0.000000       9.929191  
1 1 1 -23 19  1  o 151.661 3.9468  12535.34   648.315  12834.40   788.969  11913.56   1137.63  153.241 4.7535  146.796 7.1551  6.445541       8.590186  
1 1 1 -23 19  2  o 41.825  5.5751  975.491    246.267  1054.01    372.743  914.670    328.066  42.836  8.3339  39.948  7.8621  2.887817       11.45723  
1 1 1 -23 19  3  o 62.437  4.4653  2138.82    299.977  2264.22    491.416  2064.33    378.727  63.598  7.2643  61.063  5.7958  2.535271       9.293117  
1 1 1 -23 19  4  o 49.742  3.9971  1357.25    213.530  1096.75    277.593  1734.77    334.170  44.307  5.9335  55.974  5.5867  -11.66612      8.149677  
1 1 1 -23 19  5  o 103.560 2.9842  5829.61    334.724  5688.73    379.460  6323.64    710.593  102.241 3.4267  107.046 6.1548  -4.805534      7.044375  
1 1 1 -23 19  6  o 167.677 3.5551  15309.09   645.656  15669.75   742.649  14192.57   1306.69  169.506 4.0451  159.937 7.5432  9.569092       8.559339  
1 1 1 -23 19  7  f 188.734 3.7691  19413.37   770.469  19450.95   886.928  19297.81   1555.41  188.722 4.3391  186.302 7.7083  2.420166       8.845611  
1 1 1 -23 19  8  o 96.317  3.0752  5046.27    320.807  4932.91    365.947  5422.65    666.778  95.159  3.5506  98.975  6.2520  -3.816277      7.189897  
1 1 1 -23 19  9  o 97.892  3.1174  5214.30    330.524  5276.09    386.723  5046.83    636.654  98.388  3.6290  95.455  6.1913  2.932449       7.176514  
1 1 1 -23 19  10 o 97.003  3.5405  5128.84    371.980  5024.68    457.912  5330.94    637.841  95.843  4.4112  98.122  6.0309  -2.279404      7.471992  
1 1 1 -23 19  11 o 44.482  5.7285  1108.02    269.582  1108.02    269.582  0.0000     0.0000   44.482  5.7285  ?       ?       0.000000       5.728540  
1 1 1 -23 19  12 o 73.745  4.5157  2992.36    358.950  2992.36    358.950  0.0000     0.0000   73.745  4.5157  ?       ?       0.000000       4.515738  
1 1 1 -23 19  13 o 33.597  6.7397  650.151    236.722  650.151    236.722  0.0000     0.0000   33.597  6.7397  ?       ?       0.000000       6.739677  
1 1 1 -23 19  14 o 82.311  3.3380  3697.82    297.585  3591.34    343.654  4017.04    595.006  80.999  3.9172  84.632  6.5419  -3.633415      7.624959  
1 1 1 -23 19  15 o 16.916  6.7754  84.750     188.539  161.159    210.409  -226.5537  424.703  19.402  7.3262  19.634  8.9668  -0.2326450     11.57919  
1 1 1 -23 19  16 o 38.752  5.1841  845.552    212.137  878.192    239.504  726.707    457.008  39.324  5.7970  34.728  10.907  4.596458       12.35168  
1 1 1 -23 19  17 o 108.139 3.3162  6399.50    388.407  6156.04    454.545  7058.26    747.714  105.825 3.9657  111.979 6.1890  -6.153557      7.350506  
1 1 1 -23 19  18 o 84.780  3.2729  3936.69    300.534  3572.60    353.927  4877.80    569.015  80.418  4.0767  93.180  5.6650  -12.76110      6.979373  
1 1 1 -23 19  19 o 29.748  6.7211  522.615    211.447  513.495    346.679  528.016    266.823  29.325  9.5310  29.601  8.0911  -0.2762623     12.50229  
1 1 1 -23 19  20 o 47.890  4.5756  1286.19    234.446  1493.29    374.531  1152.75    300.632  50.532  7.0339  44.588  6.4094  5.943783       9.516060  
1 1 1 -23 19  21 o 18.632  7.1912  149.888    205.624  193.059    339.046  124.770    258.614  22.370  9.0412  19.384  7.8745  2.985771       11.98969  
1 1 1 -23 19  22 o 14.549  6.4000  -22.3742   195.203  -53.8896   300.556  0.6180     256.717  17.398  7.7802  16.929  7.3958  0.4687653      10.73445  
1 1 1 -23 19  23 o 28.661  7.6800  526.823    243.232  641.357    379.105  446.689    317.104  30.425  9.9706  26.266  9.1184  4.158588       13.51147  
1 1 1 -23 19  24 o 27.043  7.9496  478.310    248.296  132.954    392.549  708.628    320.571  21.357  9.2391  32.282  8.8872  -10.92442      12.81968  
1 1 1 -23 19  25 o 18.446  8.4613  -79.7986   383.773  -79.7986   383.773  0.0000     0.0000   18.446  8.4613  ?       ?       0.000000       8.461305  
1 1 1 -23 19  26 o 25.226  10.024  437.912    409.518  437.912    409.518  0.0000     0.0000   25.226  10.024  ?       ?       0.000000       10.02436  
1 1 1 -23 19  27 o 40.744  9.8771  1258.76    431.349  1258.76    431.349  0.0000     0.0000   40.744  9.8771  ?       ?       0.000000       9.877067  
1 1 1 -23 20  1  o 71.522  3.5080  2784.40    271.752  2565.60    314.941  3422.07    537.658  68.441  4.2699  78.587  6.3715  -10.14621      7.669948  
1 1 1 -23 20  2  o 78.732  3.1111  3370.29    265.294  3381.61    353.577  3355.72    401.303  78.632  4.1665  78.212  4.7599  0.4193726      6.325815  
1 1 1 -23 20  3  o 44.526  5.1549  1099.45    244.005  818.390    374.829  1306.15    321.441  37.494  9.2800  48.332  6.2894  -10.83807      11.21043  
1 1 1 -23 20  4  o 63.280  2.4094  2173.84    165.137  2157.50    242.344  2188.00    225.630  62.851  3.5748  63.334  3.3006  -0.4833260     4.865504  
1 1 1 -23 20  5  o 64.222  3.2510  2249.32    225.400  2386.21    252.477  1711.84    500.285  66.110  3.5388  54.728  8.7335  11.38239       9.423267  
1 1 1 -23 20  6  o 53.415  3.4861  1559.90    200.577  1550.17    222.245  1602.64    465.720  53.187  3.8848  52.997  8.3930  0.1894035      9.248474  
1 1 1 -23 20  7  o 157.486 3.3867  13501.91   577.685  13471.19   662.792  13598.98   1178.39  157.175 3.8933  156.750 6.9409  0.4257965      7.958251  
1 1 1 -23 20  8  o 69.691  3.3462  2644.24    252.577  2978.36    288.372  1543.49    523.421  73.932  3.6012  51.487  9.7429  22.44527       10.38719  
1 1 1 -23 20  9  o 20.962  6.9240  233.481    182.687  194.636    219.533  320.959    329.444  20.616  7.5392  25.685  9.2596  -5.069365      11.94068  
1 1 1 -23 20  10 o 117.422 4.3088  7540.01    547.992  7540.01    547.992  0.0000     0.0000   117.422 4.3088  ?       ?       0.000000       4.308780  
1 1 1 -23 20  11 o 79.858  4.3642  3500.92    376.048  3500.92    376.048  0.0000     0.0000   79.858  4.3642  ?       ?       0.000000       4.364198  
1 1 1 -23 20  12 o 56.312  5.3436  1762.33    322.012  1762.33    322.012  0.0000     0.0000   56.312  5.3436  ?       ?       0.000000       5.343637  
1 1 1 -23 20  13 o 130.689 3.3157  9316.44    469.331  9077.95    545.969  9991.59    918.605  128.823 3.9129  134.075 6.3257  -5.251419      7.438157  
1 1 1 -23 20  14 o 99.743  3.2371  5427.92    349.711  5229.84    406.471  5992.33    686.128  97.759  3.8389  103.640 6.1397  -5.881584      7.241055  
1 1 1 -23 20  15 o 26.167  6.9234  398.422    199.261  279.913    224.066  846.537    435.707  22.791  7.6714  37.361  10.390  -14.57019      12.91523  
1 1 1 -23 20  16 o 66.751  3.5508  2446.07    255.794  2253.42    296.305  3009.66    506.800  63.855  4.3094  72.976  6.4793  -9.120285      7.781560  
1 1 1 -23 20  17 o 27.768  7.0186  453.732    211.192  475.429    248.831  397.840    399.365  28.339  7.8415  27.668  10.161  0.6710758      12.83488  
1 1 1 -23 20  18 o 14.481  6.3002  -18.8466   184.632  7.6397     215.789  -91.2177   356.698  16.126  6.9116  19.034  8.4962  -2.907640      10.95244  
1 1 1 -23 20  19 o 33.644  5.8467  653.767    205.319  597.876    246.817  779.344    369.964  31.658  7.3409  35.462  9.4582  -3.804623      11.97272  
1 1 1 -23 20  20 o 47.463  4.4577  1261.93    226.473  1442.74    344.077  1123.73    300.825  49.887  6.5243  43.946  6.5176  5.940334       9.222026  
1 1 1 -23 20  21 o 37.523  5.4023  811.299    213.229  987.183    321.839  673.693    284.672  40.369  7.6406  33.035  8.0336  7.333710       11.08683  
1 1 1 -23 20  22 o 44.869  4.7437  1150.27    227.040  1395.48    342.676  958.404    303.116  48.276  6.7373  39.521  7.3519  8.755154       9.972047  
1 1 1 -23 20  23 o 56.390  4.3955  1813.41    266.342  2036.92    411.151  1651.80    349.616  57.971  6.6697  52.471  6.2763  5.500099       9.158423  
1 1 1 -23 20  24 o 22.232  8.7281  269.292    306.965  -44.0609   409.550  670.993    463.704  19.562  8.8840  30.223  10.972  -10.66074      14.11743  
1 1 1 -23 20  25 f 24.484  9.8342  367.673    398.431  367.673    398.431  0.0000     0.0000   24.484  9.8342  ?       ?       0.000000       9.834210  
1 1 1 -23 20  26 o 24.865  1.7065  339.691    45.681   339.691    45.681   0.0000     0.0000   24.865  1.7065  ?       ?       0.000000       1.706537  
1 1 1 -23 20  27 o 21.791  9.3546  239.661    396.440  239.661    396.440  0.0000     0.0000   21.791  9.3546  ?       ?       0.000000       9.354635  
1 1 1 -23 21  1  o 58.102  3.6033  1845.21    225.643  1717.99    255.496  2296.16    481.029  55.953  4.2476  64.083  7.0468  -8.130573      8.227969  
1 1 1 -23 21  2  o 189.791 4.6901  19687.36   964.113  19906.46   1099.05  18955.78   2008.25  190.592 5.3240  182.903 10.178  7.689056       11.48613  
1 1 1 -23 21  3  o 146.945 3.3453  11748.64   532.429  11818.75   734.322  11670.93   773.112  147.073 4.6098  146.070 4.8867  1.002747       6.717878  
1 1 1 -23 21  4  o 125.549 3.1267  8571.75    425.177  8610.46    484.092  8441.12    889.280  125.756 3.5541  123.512 6.6723  2.243683       7.559802  
1 1 1 -23 21  5  o 43.724  3.9585  1050.73    185.431  1062.17    205.060  999.424    434.311  43.893  4.3715  41.310  9.8462  2.583263       10.77303  
1 1 1 -23 21  6  o 49.103  3.7269  1321.26    196.732  1365.17    218.394  1132.28    453.076  49.859  4.0798  43.996  9.7630  5.863125       10.58117  
1 1 1 -23 21  7  o 81.080  2.6883  3572.11    236.083  3529.36    312.165  3629.23    360.845  80.489  3.5808  81.444  4.1038  -0.9544983     5.446417  
1 1 1 -23 21  8  o 142.258 4.6521  11073.93   716.792  11073.93   716.792  0.0000     0.0000   142.258 4.6521  ?       ?       0.000000       4.652057  
1 1 1 -23 21  9  o 52.695  4.9222  1534.82    277.675  1534.82    277.675  0.0000     0.0000   52.695  4.9222  ?       ?       0.000000       4.922184  
1 1 1 -23 21  10 o 86.596  4.1277  4098.15    387.142  4098.15    387.142  0.0000     0.0000   86.596  4.1277  ?       ?       0.000000       4.127664  
1 1 1 -23 21  11 o 112.142 4.4183  6887.27    536.655  6887.27    536.655  0.0000     0.0000   112.142 4.4183  ?       ?       0.000000       4.418306  
1 1 1 -23 21  12 o 136.137 3.3690  10108.22   496.763  9807.18    573.808  11008.89   992.507  133.915 3.9561  140.718 6.5120  -6.802811      7.619489  
1 1 1 -23 21  13 o 96.577  3.2574  5086.73    340.735  5165.33    394.556  4856.17    675.798  97.210  3.7474  93.072  6.7498  4.137360       7.720264  
1 1 1 -23 21  14 o 85.545  3.2503  3993.30    301.156  3931.20    346.354  4185.75    609.719  84.766  3.7725  86.355  6.5681  -1.588669      7.574405  
1 1 1 -23 21  15 f 24.548  6.6876  349.085    182.640  371.953    206.220  265.893    393.328  25.337  7.1842  25.417  9.9078  -0.8017731E-01 12.23833  
1 1 1 -23 21  16 o 33.065  6.0890  628.968    210.033  571.403    245.316  787.027    406.498  31.153  7.3833  35.955  10.049  -4.802696      12.46956  
1 1 1 -23 21  17 o 47.182  2.2340  1211.45    114.162  1233.61    251.328  1205.69    128.146  46.904  5.0254  46.971  2.5282  -0.6654358E-01 5.625520  
1 1 1 -23 21  18 o 70.860  3.7403  2768.01    286.050  2701.44    337.733  2936.98    538.051  69.728  4.4959  71.445  7.0448  -1.716957      8.357168  
1 1 1 -23 21  19 o 124.968 3.3544  8570.46    454.022  8410.49    536.213  8975.63    853.363  123.447 4.0104  125.843 6.2609  -2.395645      7.435186  
1 1 1 -23 21  20 o 65.897  3.5921  2399.12    255.410  2721.14    374.233  2118.33    349.449  69.565  5.0002  61.183  5.3265  8.382298       7.305719  
1 1 1 -23 21  21 f 18.351  6.7771  164.963    178.043  191.323    299.460  150.551    221.429  21.508  8.5642  18.987  7.4248  2.521210       11.33461  
1 1 1 -23 21  22 o 31.184  6.8425  595.573    224.763  678.350    371.844  547.917    282.139  31.825  9.8127  29.225  8.4408  2.600550       12.94357  
1 1 1 -23 21  23 o 18.296  1.5512  183.648    30.450   174.718    375.349  183.707    30.550   21.825  9.2258  18.298  1.5563  3.527262       9.356153  
1 1 1 -23 21  24 o 32.082  8.7014  696.746    310.005  733.331    404.049  644.388    483.361  31.761  10.287  29.673  11.125  2.088192       15.15212  
1 1 1 -23 21  25 o 16.371  7.8377  -340.3658  395.547  -340.3658  395.547  0.0000     0.0000   16.371  7.8377  ?       ?       0.000000       7.837668  
1 1 1 -23 21  26 f 23.816  9.8329  350.525    411.543  350.525    411.543  0.0000     0.0000   23.816  9.8329  ?       ?       0.000000       9.832947  
1 1 1 -23 21  27 o 4.3233  2.1316  -76.2058   35.736   -76.2058   35.736   0.0000     0.0000   4.3233  2.1316  ?       ?       0.000000       2.131633  
1 1 1 -23 22  1  o 88.545  2.9167  4261.51    279.722  3850.22    367.276  4829.60    431.648  84.023  4.0357  94.071  4.2365  -10.04803      5.851065  
1 1 1 -23 22  2  o 78.901  3.4515  3388.61    294.958  3541.13    342.980  2955.49    577.987  80.597  3.9290  72.661  7.4495  7.935188       8.422135  
1 1 1 -23 22  3  o 28.872  6.6266  477.796    202.837  498.073    229.697  405.988    432.256  29.425  7.2535  29.063  10.587  0.3617954      12.83311  
1 1 1 -23 22  4  o 85.846  3.4872  4012.07    324.238  3899.50    381.004  4307.70    617.420  84.538  4.1611  88.150  6.5129  -3.611618      7.728664  
1 1 1 -23 22  5  o 110.160 3.0049  6598.17    358.524  6778.69    406.839  5970.70    758.518  111.600 3.3658  103.736 6.7884  7.863663       7.577024  
1 1 1 -23 22  6  o 78.006  3.1321  3310.04    264.622  3299.30    299.286  3348.54    566.460  77.829  3.5504  77.536  6.8144  0.2936859      7.683836  
1 1 1 -23 22  7  o 133.361 6.4251  9819.17    928.067  9819.17    928.067  0.0000     0.0000   133.361 6.4251  ?       ?       0.000000       6.425114  
1 1 1 -23 22  8  o 111.534 4.1754  6794.17    504.404  6794.17    504.404  0.0000     0.0000   111.534 4.1754  ?       ?       0.000000       4.175419  
1 1 1 -23 22  9  f 105.329 4.1571  6061.36    474.257  6061.36    474.257  0.0000     0.0000   105.329 4.1571  ?       ?       0.000000       4.157135  
1 1 1 -23 22  10 o 119.154 4.3355  7767.78    559.522  7767.78    559.522  0.0000     0.0000   119.154 4.3355  ?       ?       0.000000       4.335494  
1 1 1 -23 22  11 o 78.816  2.7673  3379.32    236.230  3656.84    320.468  3049.08    349.588  81.859  3.6145  74.497  4.3515  7.361938       5.656897  
1 1 1 -23 22  12 o 101.090 3.1778  5569.75    347.940  5466.63    401.314  5881.89    698.250  100.036 3.7039  102.749 6.3047  -2.713219      7.312202  
1 1 1 -23 22  13 o 89.562  3.1988  4373.98    310.294  4355.06    354.982  4435.26    638.828  89.270  3.6714  88.938  6.6805  0.3321304      7.622868  
1 1 1 -23 22  14 o 30.309  6.1152  528.198    193.829  588.437    231.581  387.280    354.197  31.837  6.9139  27.184  9.6222  4.652943       11.84857  
1 1 1 -23 22  15 o 30.029  5.9162  518.401    185.579  531.377    213.100  477.671    377.547  30.227  6.6862  29.233  9.9574  0.9945450      11.99400  
1 1 1 -23 22  16 o 31.392  6.0148  567.851    197.065  468.206    225.110  894.681    407.688  28.211  7.3084  38.316  9.7882  -10.10513      12.21561  
1 1 1 -23 22  17 o 41.079  4.8285  946.773    210.736  1116.78    242.198  416.964    427.561  44.571  5.1093  28.333  10.494  16.23847       11.67208  
1 1 1 -23 22  18 o 37.272  5.7899  796.302    226.147  590.339    266.538  1325.63    427.294  31.375  7.8599  46.952  8.7235  -15.57700      11.74211  
1 1 1 -23 22  19 o 18.172  7.0796  129.448    200.738  28.455     248.244  320.247    341.210  17.508  7.4561  25.111  9.3603  -7.602787      11.96698  
1 1 1 -23 22  20 o 35.430  5.8605  727.778    217.035  1102.53    341.519  473.901    281.097  42.942  7.6219  27.951  8.5164  14.99102       11.42901  
1 1 1 -23 22  21 o 36.814  5.7435  789.187    221.541  802.994    350.138  779.970    286.089  35.508  9.0712  35.712  7.6281  -0.2036514     11.85219  
1 1 1 -23 22  22 o 13.656  6.2322  -97.4111   204.710  -94.6346   343.396  -98.9418   254.968  17.935  8.1410  15.368  6.9911  2.566127       10.73084  
1 1 1 -23 22  23 o 28.005  7.5120  501.933    232.567  877.051    405.372  317.886    283.945  35.217  10.102  23.154  8.5569  12.06306       13.23903  
1 1 1 -23 22  24 o 37.467  7.6896  903.826    301.593  1174.36    407.607  576.531    448.329  41.357  9.3225  28.519  10.710  12.83812       14.19902  
1 1 1 -23 22  25 o 18.315  8.3863  -68.0128   374.756  -68.0128   374.756  0.0000     0.0000   18.315  8.3863  ?       ?       0.000000       8.386304  
1 1 1 -23 22  26 o 22.422  9.4430  268.345    390.895  268.345    390.895  0.0000     0.0000   22.422  9.4430  ?       ?       0.000000       9.442985  
1 1 1 -23 22  27 o 22.356  9.5083  274.530    402.731  274.530    402.731  0.0000     0.0000   22.356  9.5083  ?       ?       0.000000       9.508298  
1 1 1 -23 23  1  o 70.339  3.0268  2690.23    230.593  2802.74    300.126  2528.10    360.266  71.598  3.8847  67.785  4.9411  3.813171       6.285340  
1 1 1 -23 23  2  o 93.527  3.3265  4760.19    336.977  4555.93    395.402  5302.24    644.124  91.401  3.9941  97.971  6.1005  -6.569565      7.291657  
1 1 1 -23 23  3  o 112.998 3.5859  6954.00    438.880  7162.51    525.123  6470.91    799.292  114.553 4.2324  107.990 6.8693  6.562935       8.068479  
1 1 1 -23 23  4  o 120.605 3.5560  7921.44    464.517  7538.49    556.142  8805.02    844.774  117.486 4.3705  126.445 6.1683  -8.959198      7.559735  
1 1 1 -23 23  5  o 44.033  3.8792  1065.21    183.119  1110.17    201.516  852.180    438.672  44.907  4.1915  38.107  10.357  6.799995       11.17317  
1 1 1 -23 23  6  o 28.527  5.5318  461.718    164.755  420.485    180.011  674.509    408.937  27.092  6.2603  34.190  10.240  -7.098331      12.00178  
1 1 1 -23 23  7  o 86.385  4.0355  4072.80    377.575  4072.80    377.575  0.0000     0.0000   86.385  4.0355  ?       ?       0.000000       4.035452  
1 1 1 -23 23  8  o 91.033  4.1633  4526.44    410.500  4526.44    410.500  0.0000     0.0000   91.033  4.1633  ?       ?       0.000000       4.163349  
1 1 1 -23 23  9  f 131.101 4.5305  9408.01    643.307  9408.01    643.307  0.0000     0.0000   131.101 4.5305  ?       ?       0.000000       4.530465  
1 1 1 -23 23  10 o 91.964  3.1892  4606.12    317.664  4738.37    372.117  4250.82    609.931  93.187  3.6868  87.351  6.4932  5.835533       7.466871  
1 1 1 -23 23  11 o 66.980  3.4353  2453.21    248.383  2288.93    279.495  3070.31    541.704  64.577  4.0159  73.969  6.8389  -9.392166      7.930776  
1 1 1 -23 23  12 o 88.552  3.2086  4274.64    307.740  4130.39    360.621  4661.14    590.310  86.924  3.8304  91.545  5.9865  -4.620766      7.107046  
1 1 1 -23 23  13 f 51.742  2.2241  1454.77    124.642  1240.97    251.081  1524.69    143.583  47.220  4.9846  52.947  2.5038  -5.726711      5.578125  
1 1 1 -23 23  14 o 116.775 3.1743  7440.36    401.478  7626.85    467.277  6914.50    784.650  118.086 3.6535  111.054 6.5524  7.032181       7.502111  
1 1 1 -23 23  15 o 70.755  2.5927  2726.16    198.691  2220.84    296.789  3136.59    267.476  63.404  4.3481  75.773  3.2591  -12.36961      5.433916  
1 1 1 -23 23  16 o 41.839  4.6266  977.588    206.151  827.539    234.248  1492.93    434.118  38.095  5.8655  50.430  8.2318  -12.33535      10.10777  
1 1 1 -23 23  17 f 83.855  3.3306  3850.35    302.497  3597.22    350.866  4583.30    597.039  80.854  4.0066  90.117  6.1536  -9.262985      7.343012  
1 1 1 -23 23  18 o 70.773  2.6878  2734.53    206.034  2698.26    309.695  2763.33    275.966  69.813  4.1139  70.829  3.6092  -1.016327      5.472722  
1 1 1 -23 23  19 o 73.467  3.5798  2968.12    284.853  2797.75    337.172  3392.91    532.405  70.922  4.4112  77.023  6.4411  -6.100456      7.806781  
1 1 1 -23 23  20 o 76.154  3.4759  3193.99    286.706  2919.59    428.912  3415.63    385.483  71.693  5.5672  78.156  4.5737  -6.462379      7.205059  
1 1 1 -23 23  21 o 50.049  4.2982  1408.86    230.736  1571.35    344.415  1276.55    310.790  51.850  6.2596  46.644  6.3140  5.205296       8.890949  
1 1 1 -23 23  22 o 49.299  4.6815  1389.62    246.974  1990.29    406.561  1038.33    310.916  57.646  6.6324  41.071  7.2547  16.57536       9.829510  
1 1 1 -23 23  23 o 25.789  7.6818  425.654    230.612  594.831    407.362  345.866    279.756  29.266  10.323  23.756  8.5362  5.509670       13.39549  
1 1 1 -23 23  24 o 43.617  6.5023  1167.01    297.789  1705.97    426.472  654.203    416.000  51.543  7.8904  29.976  10.442  21.56755       13.08778  
1 1 1 -23 23  25 o 19.174  1.7273  202.558    35.487   202.558    35.487   0.0000     0.0000   19.174  1.7273  ?       ?       0.000000       1.727296  
1 1 1 -23 23  26 o 17.019  8.0074  -186.3015  379.132  -186.3015  379.132  0.0000     0.0000   17.019  8.0074  ?       ?       0.000000       8.007424  
1 1 1 -23 23  27 o 29.227  10.629  701.332    435.429  701.332    435.429  0.0000     0.0000   29.227  10.629  ?       ?       0.000000       10.62856  
1 1 1 -23 24  1  o 94.663  2.6087  4867.80    267.473  4759.16    331.439  5070.67    452.927  93.518  3.2722  96.354  4.3400  -2.836021      5.435307  
1 1 1 -23 24  2  o 100.299 2.7271  5466.08    296.250  5337.69    353.053  5771.60    544.612  99.038  3.2913  102.684 4.8968  -3.645882      5.900116  
1 1 1 -23 24  3  o 80.015  3.4641  3485.88    300.216  3373.40    349.408  3803.13    586.797  78.520  4.1229  82.747  6.6023  -4.227303      7.783891  
1 1 1 -23 24  4  o 76.190  4.6391  3185.78    381.004  3064.88    509.614  3339.00    573.705  74.283  6.3964  77.397  6.9166  -3.114426      9.420897  
1 1 1 -23 24  5  f 57.617  4.9489  1831.03    305.839  1928.23    394.480  1684.57    484.233  58.819  6.2896  54.284  8.5161  4.534584       10.58689  
1 1 1 -23 24  6  o 99.584  4.0845  5412.93    440.553  5412.93    440.553  0.0000     0.0000   99.584  4.0845  ?       ?       0.000000       4.084485  
1 1 1 -23 24  7  o 13.947  6.0780  -29.1442   172.426  -29.1442   172.426  0.0000     0.0000   13.947  6.0780  ?       ?       0.000000       6.077998  
1 1 1 -23 24  8  o 167.337 4.9869  15355.04   903.851  15355.04   903.851  0.0000     0.0000   167.337 4.9869  ?       ?       0.000000       4.986939  
1 1 1 -23 24  9  o 128.304 3.2060  8963.95    445.528  8899.16    511.304  9168.26    908.038  127.724 3.6960  128.494 6.5462  -0.7696609     7.517574  
1 1 1 -23 24  10 f 81.833  2.7642  3642.36    245.003  3838.65    324.365  3381.61    373.856  83.887  3.5700  78.465  4.4170  5.422104       5.679311  
1 1 1 -23 24  11 o 88.249  3.0791  4242.11    294.313  4383.05    341.024  3830.74    582.618  89.625  3.5131  82.782  6.5515  6.842697       7.433969  
1 1 1 -23 24  12 o 71.946  2.7599  2817.08    215.069  3162.60    317.477  2524.05    292.377  75.954  3.8720  67.804  3.9989  8.150093       5.566307  
1 1 1 -23 24  13 o 89.384  3.1293  4356.30    302.953  4235.57    353.128  4692.91    589.642  88.017  3.7042  91.778  5.9641  -3.760963      7.020765  
1 1 1 -23 24  14 o 47.387  4.0015  1239.36    203.457  1316.92    236.776  1020.47    397.761  48.730  4.5383  41.397  9.1176  7.333054       10.18467  
1 1 1 -23 24  15 f 32.190  5.8649  593.749    196.946  619.988    236.090  533.705    357.136  32.626  6.8967  30.269  9.6576  2.357342       11.86731  
1 1 1 -23 24  16 o 73.786  3.4007  2980.10    271.777  2767.48    313.489  3623.41    545.291  70.820  4.1045  80.093  6.3376  -9.272789      7.550641  
1 1 1 -23 24  17 o 29.079  6.8153  497.386    210.906  528.438    246.979  413.759    405.305  29.811  7.6201  27.965  10.241  1.846388       12.76523  
1 1 1 -23 24  18 o 92.833  3.2515  4722.82    326.932  4632.06    378.512  4989.44    648.737  91.734  3.8096  93.627  6.4364  -1.892761      7.479307  
1 1 1 -23 24  19 o 50.339  4.3517  1413.67    234.933  1254.49    271.250  1891.58    470.010  47.015  5.4264  56.578  7.8842  -9.562481      9.571122  
1 1 1 -23 24  20 o 21.517  7.4961  252.787    214.392  185.933    270.479  365.782    351.640  20.949  8.2022  25.888  9.5304  -4.938763      12.57397  
1 1 1 -23 24  21 o 38.381  5.6053  856.763    226.148  528.479    357.642  1075.47    291.917  28.912  9.6922  42.592  6.5366  -13.68012      11.69039  
1 1 1 -23 24  22 o 14.893  6.6294  -38.7356   215.527  127.965    383.203  -115.8685  260.663  21.531  9.2187  15.283  6.9967  6.247718       11.57316  
1 1 1 -23 24  23 o 46.726  5.0149  1268.89    249.830  1213.57    410.441  1301.45    314.881  42.513  9.1821  46.345  6.4476  -3.832043      11.21975  
1 1 1 -23 24  24 o 24.701  9.7222  373.565    381.782  373.565    381.782  0.0000     0.0000   24.701  9.7222  ?       ?       0.000000       9.722172  
1 1 1 -23 24  25 o 24.975  9.9512  406.395    404.560  406.395    404.560  0.0000     0.0000   24.975  9.9512  ?       ?       0.000000       9.951241  
1 1 1 -23 24  26 o 33.286  2.2230  613.003    79.682   613.003    79.682   0.0000     0.0000   33.286  2.2230  ?       ?       0.000000       2.222968  
1 1 1 -23 24  27 o 23.250  9.7102  335.264    408.000  335.264    408.000  0.0000     0.0000   23.250  9.7102  ?       ?       0.000000       9.710213  
1 1 1 -23 25  1  o 96.035  2.8437  5013.21    295.788  5190.18    331.108  4313.94    658.180  97.676  3.1298  88.015  6.9611  9.661362       7.632286  
1 1 1 -23 25  2  o 84.400  2.8803  3872.37    263.298  3847.00    292.384  3981.18    605.538  84.085  3.2105  84.637  6.6593  -0.5529404     7.392820  
1 1 1 -23 25  3  o 79.883  2.9637  3469.72    256.426  3561.26    284.982  3080.40    587.709  80.896  3.2525  74.147  7.4176  6.749451       8.099379  
1 1 1 -23 25  4  f 47.636  4.2807  1249.05    218.506  1318.47    246.390  993.375    472.859  48.872  4.7132  41.018  10.576  7.853802       11.57845  
1 1 1 -23 25  5  o 32.970  8.5865  631.303    309.659  631.303    309.659  0.0000     0.0000   32.970  8.5865  ?       ?       0.000000       8.586463  
1 1 1 -23 25  6  o 72.518  4.1096  2879.98    321.458  2879.98    321.458  0.0000     0.0000   72.518  4.1096  ?       ?       0.000000       4.109576  
1 1 1 -23 25  7  o 53.692  4.4476  1586.94    256.321  1586.94    256.321  0.0000     0.0000   53.692  4.4476  ?       ?       0.000000       4.447640  
1 1 1 -23 25  8  o 184.590 3.6913  18582.70   737.993  17804.94   848.362  21002.07   1496.27  180.444 4.3408  194.405 7.1061  -13.96136      8.326995  
1 1 1 -23 25  9  o 175.186 3.6387  16740.38   690.415  16385.75   794.624  17832.72   1394.60  173.099 4.2384  178.952 7.1952  -5.853409      8.350726  
1 1 1 -23 25  10 o 112.769 3.0451  6924.14    371.928  6601.29    428.540  7909.65    748.726  109.991 3.5972  119.692 5.7755  -9.700676      6.804109  
1 1 1 -23 25  11 o 70.934  3.3008  2743.40    253.597  2537.45    295.042  3325.87    496.191  67.992  4.0243  77.296  5.9732  -9.303085      7.202370  
1 1 1 -23 25  12 o 55.120  3.5735  1665.96    212.189  1590.74    244.193  1897.82    428.739  53.721  4.2310  57.901  6.9771  -4.180000      8.159725  
1 1 1 -23 25  13 o 98.236  3.1378  5262.67    333.866  4959.87    388.910  6111.03    650.975  95.222  3.7709  104.857 5.7539  -9.635185      6.879416  
1 1 1 -23 25  14 o 78.125  3.1601  3331.00    267.397  3014.98    310.027  4248.93    528.385  74.085  3.8771  87.346  5.6149  -13.26108      6.823462  
1 1 1 -23 25  15 o 44.811  4.3344  1114.60    207.740  969.313    244.969  1486.62    391.996  41.411  5.6058  50.792  7.3383  -9.381134      9.234447  
1 1 1 -23 25  16 o 20.607  7.2007  220.006    197.901  181.864    228.304  335.287    396.910  20.245  7.6346  26.516  10.050  -6.270416      12.62127  
1 1 1 -23 25  17 o 72.954  3.3627  2916.16    265.709  2755.51    304.892  3423.45    541.792  70.638  4.0015  77.581  6.5079  -6.943130      7.639663  
1 1 1 -23 25  18 o 105.269 3.2460  6073.28    370.104  6139.98    430.818  5885.40    723.070  105.628 3.7657  101.567 6.6089  4.061813       7.606439  
1 1 1 -23 25  19 o 38.143  5.5383  832.813    222.117  845.573    257.929  796.193    436.943  38.078  6.4864  35.425  10.579  2.652901       12.40911  
1 1 1 -23 25  20 o 34.990  6.3894  720.686    233.219  740.098    283.591  680.127    409.918  34.901  7.7080  32.650  10.339  2.251114       12.89622  
1 1 1 -23 25  21 o 49.705  2.5882  1357.99    138.859  1739.54    414.615  1309.79    147.370  53.750  7.3117  48.751  2.8028  4.999252       7.830445  
1 1 1 -23 25  22 o 54.809  4.0864  1697.83    240.838  2061.12    414.139  1512.19    296.044  58.508  6.6535  50.888  5.4563  7.620018       8.604668  
1 1 1 -23 25  23 o 11.738  2.5402  78.677     31.356   257.220    385.215  77.486     31.461   23.142  9.5294  11.644  2.5640  11.49866       9.868328  
1 1 1 -23 25  24 o 40.669  9.4116  1148.75    406.361  1148.75    406.361  0.0000     0.0000   40.669  9.4116  ?       ?       0.000000       9.411617  
1 1 1 -23 25  25 o 22.538  9.4591  257.169    390.025  257.169    390.025  0.0000     0.0000   22.538  9.4591  ?       ?       0.000000       9.459090  
1 1 1 -23 25  26 o 23.055  9.6056  312.938    397.891  312.938    397.891  0.0000     0.0000   23.055  9.6056  ?       ?       0.000000       9.605609  
1 1 1 -23 25  27 o 33.982  10.431  929.778    420.718  929.778    420.718  0.0000     0.0000   33.982  10.431  ?       ?       0.000000       10.43104  
1 1 1 -23 26  1  o 118.051 2.9354  7577.71    375.331  7586.36    423.656  7546.15    809.224  118.053 3.3133  116.749 6.4242  1.304558       7.228344  
1 1 1 -23 26  2  o 140.590 3.1308  10753.07   476.741  10625.48   541.763  11190.95   1003.65  139.655 3.5816  142.350 6.5096  -2.694519      7.429886  
1 1 1 -23 26  3  o 57.801  3.1786  1823.28    198.232  1836.50    216.030  1752.85    498.731  57.971  3.4563  55.360  8.5964  2.610313       9.265240  
1 1 1 -23 26  4  o 68.263  5.5947  2577.04    410.016  2577.04    410.016  0.0000     0.0000   68.263  5.5947  ?       ?       0.000000       5.594722  
1 1 1 -23 26  5  o 58.976  6.2637  1939.09    393.983  1939.09    393.983  0.0000     0.0000   58.976  6.2637  ?       ?       0.000000       6.263692  
1 1 1 -23 26  6  o 105.767 4.1547  6109.10    475.945  6109.10    475.945  0.0000     0.0000   105.767 4.1547  ?       ?       0.000000       4.154687  
1 1 1 -23 26  7  o 80.026  3.0565  3484.52    264.922  3404.04    297.507  3792.72    582.197  79.042  3.4751  82.549  6.5659  -3.507133      7.428802  
1 1 1 -23 26  8  o 115.874 3.1378  7309.17    393.799  7022.43    450.398  8239.82    811.416  113.471 3.6647  121.984 6.1614  -8.512772      7.168887  
1 1 1 -23 26  9  o 107.158 2.8761  6247.34    333.809  6628.47    396.851  5325.34    617.236  110.294 3.3220  98.070  5.8373  12.22350       6.716396  
1 1 1 -23 26  10 o 103.782 3.0476  5865.37    342.567  5866.06    394.709  5863.24    689.629  103.694 3.5144  102.689 6.2299  1.005005       7.152823  
1 1 1 -23 26  11 o 88.254  3.1050  4243.75    296.806  4238.26    343.013  4260.12    592.106  88.107  3.5944  87.395  6.2974  0.7112122      7.251018  
1 1 1 -23 26  12 o 56.966  3.4580  1777.87    212.348  1721.19    243.828  1955.82    432.066  55.927  4.0527  58.796  6.9170  -2.868805      8.016825  
1 1 1 -23 26  13 o 77.487  3.1386  3274.64    263.409  3265.17    304.939  3302.48    522.821  77.280  3.6431  76.747  6.3465  0.5331268      7.317827  
1 1 1 -23 26  14 o 47.714  4.2249  1259.70    216.082  1356.62    255.481  1016.13    405.012  49.371  4.8399  41.202  9.2967  8.169415       10.48108  
1 1 1 -23 26  15 o 57.204  3.5720  1798.55    220.204  1702.33    255.363  2077.58    434.874  55.466  4.2839  60.415  6.7618  -4.948212      8.004595  
1 1 1 -23 26  16 o 48.129  4.1716  1284.34    215.308  1004.60    248.803  2118.54    429.649  42.111  5.5933  60.974  6.6117  -18.86278      8.660219  
1 1 1 -23 26  17 o 35.122  5.5106  704.330    202.731  794.610    230.910  400.675    423.483  37.211  5.9283  27.889  10.422  9.321625       11.98972  
1 1 1 -23 26  18 o 35.638  6.0529  734.019    225.285  664.140    264.926  916.528    428.148  33.361  7.5126  38.225  10.165  -4.864273      12.63996  
1 1 1 -23 26  19 o 58.606  2.5969  1876.08    164.841  1817.49    317.144  1897.77    192.953  56.739  5.2191  58.775  3.0414  -2.036076      6.040678  
1 1 1 -23 26  20 o 81.187  3.7449  3645.09    329.302  3436.73    399.657  4085.65    581.146  78.219  4.7398  84.075  6.4307  -5.856079      7.988690  
1 1 1 -23 26  21 o 40.494  5.5565  954.122    237.281  668.900    399.088  1110.08    295.106  31.736  10.218  43.206  6.5081  -11.47020      12.11447  
1 1 1 -23 26  22 o 47.833  4.8071  1317.15    245.679  1301.56    396.180  1326.89    313.163  44.969  8.4442  47.052  6.3035  -2.082821      10.53744  
1 1 1 -23 26  23 o 42.818  6.5667  1119.11    294.823  1216.96    416.578  1020.92    417.308  42.381  9.3281  38.089  9.9913  4.291695       13.66891  
1 1 1 -23 26  24 o 26.795  10.141  489.724    403.757  489.724    403.757  0.0000     0.0000   26.795  10.141  ?       ?       0.000000       10.14130  
1 1 1 -23 26  25 o 27.384  10.293  551.086    414.287  551.086    414.287  0.0000     0.0000   27.384  10.293  ?       ?       0.000000       10.29306  
1 1 1 -23 26  26 o 23.951  9.8775  369.188    414.642  369.188    414.642  0.0000     0.0000   23.951  9.8775  ?       ?       0.000000       9.877463  
1 1 1 -23 26  27 o 25.980  10.598  510.193    470.889  510.193    470.889  0.0000     0.0000   25.980  10.598  ?       ?       0.000000       10.59785  
1 1 1 -23 27  1  o 106.219 2.8345  6133.56    326.104  6014.24    365.735  6596.35    720.279  105.124 3.2121  109.231 6.1126  -4.107628      6.905233  
1 1 1 -23 27  2  o 160.423 3.2622  14007.69   566.822  13213.35   646.407  16650.88   1179.14  155.659 3.8341  173.734 6.2663  -18.07437      7.346223  
1 1 1 -23 27  3  f 45.151  4.2960  1123.50    207.555  1123.50    207.555  0.0000     0.0000   45.151  4.2960  ?       ?       0.000000       4.295959  
1 1 1 -23 27  4  o 73.365  3.8626  2943.58    305.844  2943.58    305.844  0.0000     0.0000   73.365  3.8626  ?       ?       0.000000       3.862561  
1 1 1 -23 27  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 27  6  o 64.953  3.2335  2296.63    227.480  2233.65    253.588  2556.10    514.729  63.904  3.6794  67.500  7.1493  -3.596458      8.040569  
1 1 1 -23 27  7  o 96.739  2.9935  5091.61    313.656  4937.55    354.848  5642.02    670.714  95.193  3.4416  100.903 6.1667  -5.709564      7.062088  
1 1 1 -23 27  8  o 147.410 3.3132  11837.64   528.989  12186.27   611.155  10796.28   1056.26  149.433 3.7760  139.182 7.0295  10.25092       7.979499  
1 1 1 -23 27  9  o 96.847  3.0318  5106.18    318.021  5020.77    366.119  5368.70    641.861  95.946  3.5231  98.364  6.0541  -2.418320      7.004609  
1 1 1 -23 27  10 o 32.301  2.1852  569.261    76.002   933.044    203.841  510.524    81.908   40.980  4.6762  30.545  2.4977  10.43567       5.301468  
1 1 1 -23 27  11 o 50.577  3.6948  1404.64    200.997  1375.47    230.647  1496.74    409.793  49.922  4.3078  51.131  7.6335  -1.208118      8.765139  
1 1 1 -23 27  12 o 50.395  3.8986  1397.64    211.140  1212.65    245.518  1922.97    413.733  46.688  4.9298  58.367  6.6641  -11.67906      8.289300  
1 1 1 -23 27  13 o 87.404  2.8154  4161.44    266.526  4138.30    344.103  4196.14    421.381  86.988  3.6522  87.272  4.4729  -0.2839127     5.774603  
1 1 1 -23 27  14 o 46.077  4.2200  1175.63    208.266  1092.50    243.785  1400.21    400.679  44.152  5.1974  49.145  7.7870  -4.993458      9.362202  
1 1 1 -23 27  15 o 29.597  1.2037  475.000    38.587   174.037    223.776  484.223    39.174   19.981  7.5529  29.883  1.2103  -9.901327      7.649274  
1 1 1 -23 27  16 o 57.384  3.6233  1812.85    224.042  1845.15    261.754  1724.32    433.272  57.730  4.2154  54.518  7.5393  3.211666       8.637748  
1 1 1 -23 27  17 o 75.737  3.5180  3147.77    288.585  3182.61    336.716  3051.37    560.120  75.867  4.1131  72.764  7.2017  3.103470       8.293504  
1 1 1 -23 27  18 o 43.309  4.7487  1053.69    219.102  1047.88    251.485  1071.98    446.355  42.916  5.5396  41.397  10.055  1.519348       11.47995  
1 1 1 -23 27  19 o 17.483  6.9617  105.893    197.880  215.442    227.518  -234.3344  400.955  20.833  7.6666  18.511  8.5481  2.321949       11.48241  
1 1 1 -23 27  20 o 43.029  5.9582  1074.37    270.231  1084.69    335.150  1055.19    456.849  42.417  7.5730  40.139  10.418  2.277599       12.87939  
1 1 1 -23 27  21 o 54.687  4.2726  1686.72    251.059  2094.36    403.257  1428.72    320.819  59.618  6.3425  49.272  6.1451  10.34533       8.831145  
1 1 1 -23 27  22 o 39.321  5.7938  918.490    239.352  706.511    404.007  1033.13    297.107  31.740  10.287  41.005  6.9371  -9.264654      12.40758  
1 1 1 -23 27  23 o 30.368  8.1626  606.529    274.263  582.635    385.063  631.132    390.730  28.948  10.048  29.925  10.130  -0.9768276     14.26835  
1 1 1 -23 27  24 o 22.973  9.4526  274.176    378.682  274.176    378.682  0.0000     0.0000   22.973  9.4526  ?       ?       0.000000       9.452626  
1 1 1 -23 27  25 o 31.555  10.534  775.049    422.416  775.049    422.416  0.0000     0.0000   31.555  10.534  ?       ?       0.000000       10.53356  
1 1 1 -23 27  26 o 34.620  10.552  960.528    431.497  960.528    431.497  0.0000     0.0000   34.620  10.552  ?       ?       0.000000       10.55228  
1 1 1 -23 27  27 f 21.696  9.6856  166.960    463.684  166.960    463.684  0.0000     0.0000   21.696  9.6856  ?       ?       0.000000       9.685579  
1 1 1 -23 28  1  o 141.419 3.2961  10887.91   504.870  11278.13   576.940  9612.15    1043.18  143.831 3.7034  131.315 7.3643  12.51688       8.243084  
1 1 1 -23 28  2  o 69.002  3.7766  2603.86    281.176  2603.86    281.176  0.0000     0.0000   69.002  3.7766  ?       ?       0.000000       3.776553  
1 1 1 -23 28  3  o 11.878  5.2480  -40.2213   132.643  -40.2213   132.643  0.0000     0.0000   11.878  5.2480  ?       ?       0.000000       5.247974  
1 1 1 -23 28  4  o 66.987  3.9739  2457.18    287.034  2457.18    287.034  0.0000     0.0000   66.987  3.9739  ?       ?       0.000000       3.973911  
1 1 1 -23 28  5  o 50.267  4.1850  1389.56    225.779  1359.94    256.608  1491.11    475.095  49.597  4.8385  50.804  8.9615  -1.207165      10.18427  
1 1 1 -23 28  6  o 36.095  1.9006  708.819    74.040   717.196    236.696  707.911    77.952   35.513  6.3886  36.063  2.0036  -0.5500641     6.695465  
1 1 1 -23 28  7  o 39.198  2.0902  836.352    88.421   1061.94    191.151  774.944    99.732   43.908  4.0656  37.689  2.4566  6.218956       4.750168  
1 1 1 -23 28  8  o 78.503  3.0647  3354.82    260.586  3398.70    298.880  3215.75    532.098  78.953  3.4951  75.903  6.5361  3.049797       7.411873  
1 1 1 -23 28  9  o 114.624 3.0513  7154.39    378.814  7150.64    434.265  7166.31    774.742  114.495 3.5019  113.537 6.3252  0.9576721      7.229918  
1 1 1 -23 28  10 o 31.370  5.2063  555.545    170.689  521.688    193.522  674.161    362.225  30.171  6.1312  33.833  9.4965  -3.662025      11.30372  
1 1 1 -23 28  11 o 97.503  3.0831  5180.31    325.592  5314.57    377.192  4787.84    644.912  98.664  3.5297  92.565  6.4733  6.099670       7.373088  
1 1 1 -23 28  12 o 36.255  5.0998  738.050    194.722  709.871    228.031  813.924    374.180  35.258  6.1974  36.968  9.3413  -1.709846      11.21018  
1 1 1 -23 28  13 o 19.138  6.7944  180.866    176.727  180.989    206.351  180.527    342.324  19.817  7.2999  22.948  9.1506  -3.130886      11.70566  
1 1 1 -23 28  14 o 38.310  4.6251  819.817    188.029  819.915    217.076  819.522    376.276  38.103  5.4120  36.899  9.3914  1.204582       10.83919  
1 1 1 -23 28  15 o 38.405  4.9396  828.854    200.705  731.919    236.612  1077.52    378.972  35.632  6.3645  42.587  8.5136  -6.954636      10.62960  
1 1 1 -23 28  16 o 45.593  2.0272  1130.28    100.106  946.573    249.094  1165.67    109.323  40.770  5.8048  46.286  2.1807  -5.515873      6.200910  
1 1 1 -23 28  17 o 21.704  7.2709  259.109    201.270  228.723    231.781  352.272    405.845  21.376  7.7574  26.746  10.157  -5.370020      12.78031  
1 1 1 -23 28  18 o 28.412  6.9425  478.928    211.826  586.611    246.249  172.504    415.395  31.352  7.3751  23.895  9.8732  7.457216       12.32366  
1 1 1 -23 28  19 o 12.339  5.7671  -168.1850  191.189  -207.9249  219.247  -42.0473   390.610  12.989  6.1042  20.300  8.9857  -7.311398      10.86298  
1 1 1 -23 28  20 o 75.643  3.7399  3168.73    306.409  3129.12    362.252  3268.34    574.411  74.679  4.4996  74.353  7.2239  0.3266296      8.510664  
1 1 1 -23 28  21 o 57.741  5.1630  1916.33    319.483  2132.89    428.034  1643.92    480.062  59.781  6.7276  50.548  9.1033  9.232826       11.31944  
1 1 1 -23 28  22 o 15.468  6.8399  -20.0122   225.786  107.201    432.154  -67.7756   264.802  21.940  9.5900  15.965  7.2072  5.974847       11.99631  
1 1 1 -23 28  23 o 26.687  8.5025  470.055    276.893  262.116    398.191  664.746    385.298  23.298  9.6499  30.615  10.053  -7.317234      13.93471  
1 1 1 -23 28  24 o 26.642  9.9592  487.897    386.810  487.897    386.810  0.0000     0.0000   26.642  9.9592  ?       ?       0.000000       9.959231  
1 1 1 -23 28  25 o 18.702  8.5190  -29.3381   380.200  -29.3381   380.200  0.0000     0.0000   18.702  8.5190  ?       ?       0.000000       8.518978  
1 1 1 -23 28  26 o 28.334  10.923  653.291    473.952  653.291    473.952  0.0000     0.0000   28.334  10.923  ?       ?       0.000000       10.92281  
1 1 1 -23 29  1  o 30.197  6.7980  524.368    216.980  524.368    216.980  0.0000     0.0000   30.197  6.7980  ?       ?       0.000000       6.798033  
1 1 1 -23 29  2  o 90.700  4.0916  4491.86    401.951  4491.86    401.951  0.0000     0.0000   90.700  4.0916  ?       ?       0.000000       4.091639  
1 1 1 -23 29  3  o 115.247 4.2088  7255.79    525.358  7255.79    525.358  0.0000     0.0000   115.247 4.2088  ?       ?       0.000000       4.208775  
1 1 1 -23 29  4  o 106.347 2.7685  6148.21    318.892  5925.16    374.044  6741.74    610.154  104.314 3.3106  110.862 5.0814  -6.547791      6.064735  
1 1 1 -23 29  5  o 53.346  4.0347  1562.59    231.400  1486.90    262.960  1822.35    487.147  51.896  4.7302  56.525  8.1960  -4.629501      9.463058  
1 1 1 -23 29  6  o 67.238  3.4522  2470.00    250.562  2503.75    308.395  2404.45    429.780  67.549  4.2367  65.727  6.1069  1.821198       7.432640  
1 1 1 -23 29  7  o 163.394 3.4915  14553.92   617.898  15327.02   713.676  12239.53   1234.81  167.529 3.9331  147.766 7.7423  19.76387       8.684071  
1 1 1 -23 29  8  o 36.764  4.4655  750.762    174.163  708.148    196.615  906.034    375.310  35.514  5.2715  39.273  9.0141  -3.758957      10.44237  
1 1 1 -23 29  9  o 37.193  2.3334  754.513    93.523   1177.03    221.328  662.674    103.188  46.131  4.4864  34.793  2.7609  11.33835       5.267860  
1 1 1 -23 29  10 o 79.644  3.1327  3456.31    270.235  3460.01    312.001  3445.22    540.678  79.605  3.6187  78.510  6.4143  1.094193       7.364672  
1 1 1 -23 29  11 o 47.396  4.0387  1238.29    205.344  1103.15    237.740  1635.29    407.469  44.494  5.0210  53.609  7.1996  -9.114445      8.777468  
1 1 1 -23 29  12 o 51.999  3.7287  1486.02    208.605  1459.76    240.392  1566.10    419.759  51.397  4.3594  52.227  7.6471  -0.8296700     8.802421  
1 1 1 -23 29  13 o 31.021  5.7084  549.919    184.733  643.263    214.437  281.258    363.796  33.497  6.1367  25.190  9.6041  8.306942       11.39731  
1 1 1 -23 29  14 o 42.243  4.3642  991.779    196.801  980.448    228.078  1024.80    389.369  41.793  5.1475  41.435  8.9386  0.3571968      10.31475  
1 1 1 -23 29  15 o 41.311  4.6531  953.765    204.576  1068.24    241.093  659.372    386.621  43.586  5.2103  33.067  9.9684  10.51898       11.24798  
1 1 1 -23 29  16 o 68.095  3.6289  2551.41    266.677  2790.25    320.945  2018.78    479.285  71.036  4.1900  58.915  7.6949  12.12091       8.761663  
1 1 1 -23 29  17 o 75.382  3.3203  3114.83    271.092  2841.46    313.116  3933.16    541.741  71.681  4.0496  83.365  6.0408  -11.68465      7.272576  
1 1 1 -23 29  18 o 26.615  7.2836  421.259    216.070  442.047    253.156  365.487    414.655  27.221  8.0341  26.970  10.261  0.2510853      13.03171  
1 1 1 -23 29  19 o 14.724  6.5305  -49.0716   207.307  -123.7300  243.167  149.551    396.625  14.926  6.8042  22.954  9.5792  -8.028252      11.74984  
1 1 1 -23 29  20 o 32.464  7.0094  637.619    239.251  770.184    287.446  338.682    431.649  35.412  7.7128  26.043  10.310  9.368887       12.87554  
1 1 1 -23 29  21 o 38.484  7.2355  910.943    290.523  785.698    375.347  1098.10    458.837  34.172  9.6934  39.878  10.484  -5.706062      14.27882  
1 1 1 -23 29  22 o 72.395  3.7463  2941.81    292.748  2950.38    460.667  2936.01    379.152  70.515  6.0914  71.415  4.9320  -0.8999252     7.837750  
1 1 1 -23 29  23 o 22.859  9.5016  243.340    388.006  243.340    388.006  0.0000     0.0000   22.859  9.5016  ?       ?       0.000000       9.501646  
1 1 1 -23 29  24 o 46.348  9.0564  1468.18    438.332  1468.18    438.332  0.0000     0.0000   46.348  9.0564  ?       ?       0.000000       9.056415  
1 1 1 -23 29  25 o 27.933  10.675  595.732    450.105  595.732    450.105  0.0000     0.0000   27.933  10.675  ?       ?       0.000000       10.67505  
1 1 1 -23 29  26 o 23.816  10.301  323.102    487.718  323.102    487.718  0.0000     0.0000   23.816  10.301  ?       ?       0.000000       10.30054  
1 1 1 -23 30  1  o 78.826  4.0891  3402.57    347.918  3402.57    347.918  0.0000     0.0000   78.826  4.0891  ?       ?       0.000000       4.089145  
1 1 1 -23 30  2  o 62.219  4.2551  2125.28    285.027  2125.28    285.027  0.0000     0.0000   62.219  4.2551  ?       ?       0.000000       4.255102  
1 1 1 -23 30  3  o 140.453 3.2818  10741.70   499.244  10875.20   569.344  10297.47   1038.53  141.213 3.7225  136.005 7.0745  5.207947       7.994091  
1 1 1 -23 30  4  o 108.170 3.1062  6367.93    363.913  6618.04    412.889  5497.28    770.348  110.208 3.4590  99.190  7.2200  11.01768       8.005819  
1 1 1 -23 30  5  o 58.013  3.0572  1836.53    191.418  1995.47    217.959  1300.55    400.251  60.435  3.3428  47.616  8.0477  12.81907       8.714358  
1 1 1 -23 30  6  o 38.757  4.5468  833.345    187.236  892.218    231.298  721.426    318.909  39.912  5.4964  35.153  8.4750  4.759041       10.10130  
1 1 1 -23 30  7  o 50.034  3.4416  1371.04    185.376  1324.21    207.427  1556.79    413.158  49.084  3.9348  52.319  7.5060  -3.235394      8.474819  
1 1 1 -23 30  8  o 45.344  3.8670  1131.20    188.102  1318.18    213.171  473.552    399.791  48.937  4.0585  29.693  10.242  19.24349       11.01722  
1 1 1 -23 30  9  o 44.459  3.7954  1087.52    181.010  1086.13    204.077  1092.68    391.934  44.331  4.3045  43.246  8.6693  1.084850       9.679155  
1 1 1 -23 30  10 o 40.492  1.9403  890.044    85.094   868.997    213.216  894.031    92.806   39.418  5.1147  40.518  2.1221  -1.099792      5.537436  
1 1 1 -23 30  11 o 36.096  4.5456  726.265    173.775  896.214    196.221  108.315    374.165  40.144  4.5957  22.572  9.3520  17.57209       10.42024  
1 1 1 -23 30  12 o 113.017 3.1110  6966.03    380.820  7022.71    441.958  6802.63    750.419  113.342 3.6002  110.325 6.3062  3.017059       7.261495  
1 1 1 -23 30  13 o 96.941  3.1519  5129.25    330.938  5076.85    385.035  5277.43    647.454  96.306  3.6913  97.079  6.1899  -0.7730560     7.206990  
1 1 1 -23 30  14 o 47.779  2.3784  1242.31    123.083  1505.16    249.858  1158.09    141.435  52.089  4.4720  45.995  2.8531  6.094082       5.304661  
1 1 1 -23 30  15 o 39.596  4.9195  880.628    206.433  769.845    244.160  1158.35    386.579  36.532  6.4042  44.209  8.3801  -7.677254      10.54702  
1 1 1 -23 30  16 o 39.676  4.8821  885.506    205.374  771.816    242.670  1172.46    385.536  36.530  6.3646  44.381  8.3263  -7.850525      10.48023  
1 1 1 -23 30  17 o 39.191  5.1915  870.213    214.945  820.020    250.446  1010.57    418.804  37.617  6.3746  40.411  9.6931  -2.793755      11.60132  
1 1 1 -23 30  18 o 68.059  3.6802  2556.99    270.283  2357.50    313.135  3139.90    535.271  65.048  4.4717  73.852  6.7670  -8.804550      8.110987  
1 1 1 -23 30  19 o 34.320  6.3509  692.219    227.378  665.422    266.922  763.096    434.105  33.140  7.5984  34.423  10.601  -1.282230      13.04256  
1 1 1 -23 30  20 o 44.977  1.7348  1101.32    84.509   531.529    294.084  1152.61    88.230   29.045  8.6801  46.007  1.7706  -16.96224      8.858812  
1 1 1 -23 30  21 o 15.155  1.7103  126.733    27.581   -165.7327  318.666  128.940    27.685   16.448  7.6043  15.289  1.7006  1.158926       7.792140  
1 1 1 -23 30  22 o 18.507  1.6206  188.083    32.159   292.695    437.603  187.515    32.246   24.431  10.117  18.478  1.6278  5.952757       10.24749  
1 1 1 -23 30  23 o 55.530  7.2626  1925.85    426.345  1925.85    426.345  0.0000     0.0000   55.530  7.2626  ?       ?       0.000000       7.262636  
1 1 1 -23 30  24 o 34.217  10.571  892.134    431.309  892.134    431.309  0.0000     0.0000   34.217  10.571  ?       ?       0.000000       10.57119  
1 1 1 -23 30  25 o 21.489  9.5745  127.913    450.749  127.913    450.749  0.0000     0.0000   21.489  9.5745  ?       ?       0.000000       9.574532  
1 1 1 -23 30  26 o 20.356  9.2309  55.215     440.078  55.215     440.078  0.0000     0.0000   20.356  9.2309  ?       ?       0.000000       9.230905  
1 1 1 -23 31  1  o 76.668  4.0835  3219.95    337.872  3219.95    337.872  0.0000     0.0000   76.668  4.0835  ?       ?       0.000000       4.083550  
1 1 1 -23 31  2  o 43.465  3.9106  1039.36    182.128  1114.61    197.792  619.971    466.964  44.988  4.1044  33.324  11.073  11.66414       11.80910  
1 1 1 -23 31  3  o 94.227  3.0585  4831.75    312.146  4991.26    351.458  4236.01    679.229  95.716  3.3901  86.969  7.2777  8.747368       8.028541  
1 1 1 -23 31  4  o 50.165  3.7632  1380.55    202.978  1327.35    223.283  1633.78    487.150  49.098  4.2404  53.249  8.7506  -4.151127      9.723872  
1 1 1 -23 31  5  o 49.577  3.5495  1346.79    189.337  1367.36    221.029  1290.09    366.963  49.854  4.1306  47.615  7.3523  2.238754       8.433142  
1 1 1 -23 31  6  o 128.802 4.5177  9085.66    630.242  9728.28    886.585  8429.20    896.085  132.640 6.1713  123.048 6.7494  9.591431       9.145444  
1 1 1 -23 31  7  o 76.406  2.9406  3177.25    243.352  3163.32    274.549  3228.28    525.615  76.185  3.3272  76.051  6.4416  0.1336975      7.250110  
1 1 1 -23 31  8  o 67.132  3.1736  2455.41    230.755  2619.07    263.083  1909.53    480.465  69.198  3.5218  57.844  7.8735  11.35434       8.625298  
1 1 1 -23 31  9  o 32.769  4.7663  601.487    164.209  501.853    183.326  1005.87    369.330  29.622  5.9210  41.492  8.5040  -11.86952      10.36225  
1 1 1 -23 31  10 o 50.737  3.5916  1412.64    196.093  1460.11    222.881  1250.01    412.548  51.500  4.0278  46.315  8.5386  5.185410       9.440871  
1 1 1 -23 31  11 o 93.829  3.0705  4798.82    312.042  4728.09    360.680  5009.30    622.202  93.027  3.5797  94.787  6.0928  -1.760590      7.066561  
1 1 1 -23 31  12 o 50.087  2.1001  1363.05    113.930  1160.40    230.743  1428.38    131.013  45.677  4.7327  51.251  2.3602  -5.573833      5.288561  
1 1 1 -23 31  13 o 33.805  5.3973  647.941    190.974  754.123    222.060  346.332    374.255  36.405  5.8283  26.552  9.8217  9.852669       11.42083  
1 1 1 -23 31  14 o 32.206  5.6436  592.965    189.687  582.270    221.345  622.539    368.065  31.626  6.6717  32.264  9.7262  -0.6384926     11.79454  
1 1 1 -23 31  15 o 32.607  1.9157  579.782    67.359   690.917    231.929  569.544    70.394   34.545  6.4354  32.304  2.0221  2.240902       6.745634  
1 1 1 -23 31  16 o 22.111  7.0229  276.624    189.021  326.517    224.249  154.183    351.297  23.926  7.6547  22.417  9.1502  1.509148       11.92981  
1 1 1 -23 31  17 o 16.717  6.7344  83.469     187.441  96.590     225.245  53.921     338.017  18.152  7.3577  20.459  8.7063  -2.307034      11.39893  
1 1 1 -23 31  18 o 69.633  3.5599  2674.21    267.587  2549.15    306.825  3071.51    546.878  67.740  4.2027  72.818  7.0210  -5.077858      8.182693  
1 1 1 -23 31  19 o 60.101  2.5864  1975.42    168.367  1936.93    304.027  1992.45    202.204  58.629  4.8307  60.151  3.1143  -1.522289      5.747600  
1 1 1 -23 31  20 o 17.113  7.1466  67.650     220.971  245.799    262.108  -370.0768  410.855  21.804  8.1888  17.227  8.1738  4.577158       11.57009  
1 1 1 -23 31  21 o 34.813  7.3252  755.855    267.460  789.924    333.753  694.708    447.132  34.616  8.8634  31.498  10.834  3.117983       13.99757  
1 1 1 -23 31  22 f 27.145  8.5656  482.883    281.539  400.690    383.018  579.489    415.245  25.610  9.8331  29.021  10.403  -3.410946      14.31460  
1 1 1 -23 31  23 o 21.153  9.3467  83.813     420.784  83.813     420.784  0.0000     0.0000   21.153  9.3467  ?       ?       0.000000       9.346653  
1 1 1 -23 31  24 o 17.310  8.2603  -321.6265  431.881  -321.6265  431.881  0.0000     0.0000   17.310  8.2603  ?       ?       0.000000       8.260338  
1 1 1 -23 31  25 f 44.826  9.9698  1478.73    471.534  1478.73    471.534  0.0000     0.0000   44.826  9.9698  ?       ?       0.000000       9.969788  
1 1 1 -23 31  26 o 4.9527  2.3973  -63.1134   39.479   -63.1134   39.479   0.0000     0.0000   4.9527  2.3973  ?       ?       0.000000       2.397294  
1 1 1 -23 32  1  o 96.876  3.4008  5114.16    356.832  5114.16    356.832  0.0000     0.0000   96.876  3.4008  ?       ?       0.000000       3.400775  
1 1 1 -23 32  2  o 26.545  5.5578  401.927    154.670  389.151    165.632  488.966    432.325  26.052  5.9945  30.445  10.643  -4.393475      12.21467  
1 1 1 -23 32  3  o 49.646  3.6528  1351.43    195.039  1339.51    213.258  1412.39    482.249  49.360  4.0240  49.197  9.3929  0.1633377      10.21853  
1 1 1 -23 32  4  o 111.979 3.0230  6824.36    366.647  7123.36    423.822  5935.00    730.953  114.327 3.4227  103.292 6.5677  11.03490       7.406052  
1 1 1 -23 32  5  o 105.985 3.0203  6113.85    346.707  6637.71    397.913  4462.34    706.515  110.373 3.3286  89.163  7.3823  21.21021       8.098001  
1 1 1 -23 32  6  o 75.033  3.5430  3070.79    287.934  3125.42    346.007  2947.76    519.237  75.464  4.2506  72.575  6.6805  2.888519       7.918104  
1 1 1 -23 32  7  o 21.944  7.2853  257.456    202.160  60.588     247.836  648.895    349.469  18.391  7.6149  33.264  9.3245  -14.87347      12.03879  
1 1 1 -23 32  8  o 40.745  4.1153  917.305    179.127  858.273    202.318  1131.42    385.314  39.241  4.8644  44.125  8.3685  -4.884113      9.679561  
1 1 1 -23 32  9  o 53.626  3.4090  1575.00    196.976  1593.44    222.156  1507.19    425.961  53.861  3.8331  51.217  7.9354  2.644718       8.812669  
1 1 1 -23 32  10 o 30.071  5.5765  514.909    174.940  532.468    199.811  457.254    362.067  30.434  6.2703  28.842  9.7515  1.591240       11.59351  
1 1 1 -23 32  11 o 51.568  2.4361  1446.19    136.066  1738.50    243.736  1313.84    164.000  56.197  4.0312  48.991  3.1067  7.205246       5.089437  
1 1 1 -23 32  12 o 42.505  4.2390  1001.25    192.552  1179.13    221.053  441.788    392.030  46.101  4.4838  28.712  10.127  17.38943       11.07552  
1 1 1 -23 32  13 o 69.051  3.3024  2605.42    246.982  2632.48    286.028  2526.11    489.687  69.200  3.8311  66.695  6.8775  2.505112       7.872612  
1 1 1 -23 32  14 o 79.383  3.2787  3445.65    281.900  3657.03    331.511  2893.67    535.705  81.662  3.7481  71.230  7.0357  10.43185       7.971787  
1 1 1 -23 32  15 o 95.543  3.1796  4992.24    329.032  4989.64    383.871  4999.42    638.794  95.348  3.7171  94.090  6.3047  1.257813       7.318900  
1 1 1 -23 32  16 o 51.496  2.3908  1444.88    133.349  1579.61    272.956  1402.65    152.828  53.158  4.7923  50.605  2.7992  2.552963       5.549940  
1 1 1 -23 32  17 o 18.142  6.7996  148.104    180.537  146.321    211.869  152.831    344.958  18.895  7.2977  22.177  9.0614  -3.281860      11.63467  
1 1 1 -23 32  18 o 61.447  2.5326  2061.70    168.552  1892.06    305.955  2135.62    201.964  58.020  4.9149  62.438  2.9864  -4.418175      5.751058  
1 1 1 -23 32  19 o 66.213  4.0250  2441.27    287.282  2326.86    340.834  2721.99    533.880  64.193  4.9400  67.824  7.3871  -3.630379      8.886675  
1 1 1 -23 32  20 o 42.631  5.5603  1056.25    250.628  990.169    299.569  1210.41    457.541  40.425  7.1011  42.674  10.063  -2.248863      12.31610  
1 1 1 -23 32  21 o 32.954  7.6129  687.034    266.254  771.009    332.585  537.166    444.308  34.119  8.9050  28.555  10.674  5.564262       13.90072  
1 1 1 -23 32  22 o 17.747  7.8428  1.6900     296.387  -113.8566  417.883  118.654    420.438  19.198  8.8146  21.814  9.4991  -2.616718      12.95878  
1 1 1 -23 32  23 o 36.276  11.116  1003.42    478.038  1003.42    478.038  0.0000     0.0000   36.276  11.116  ?       ?       0.000000       11.11622  
1 1 1 -23 32  24 o 17.400  8.3364  -356.0182  449.412  -356.0182  449.412  0.0000     0.0000   17.400  8.3364  ?       ?       0.000000       8.336435  
1 1 1 -23 32  25 o 13.534  6.6357  -492.3488  330.819  -492.3488  330.819  0.0000     0.0000   13.534  6.6357  ?       ?       0.000000       6.635742  
1 1 1 -23 32  26 o 22.216  9.7883  207.269    458.263  207.269    458.263  0.0000     0.0000   22.216  9.7883  ?       ?       0.000000       9.788330  
1 1 1 -23 33  1  o 88.318  3.0028  4245.29    287.235  4189.88    322.218  4459.67    633.845  87.679  3.3930  89.448  6.5889  -1.769279      7.411178  
1 1 1 -23 33  2  o 8.9931  4.3478  -206.5036  128.881  -222.6069  135.865  -61.8483   407.209  9.1731  4.4419  21.193  9.2850  -12.01947      10.29274  
1 1 1 -23 33  3  o 76.135  2.5761  3150.62    212.427  3193.39    279.346  3091.98    327.110  76.550  3.3692  75.118  4.0353  1.432159       5.256879  
1 1 1 -23 33  4  o 34.181  4.6638  651.784    168.154  672.992    189.286  572.393    366.230  34.623  5.2089  31.576  9.7388  3.047707       11.04425  
1 1 1 -23 33  5  o 95.590  2.9692  4973.33    307.417  4999.30    351.519  4888.89    633.904  95.766  3.3890  93.766  6.2780  2.000107       7.134333  
1 1 1 -23 33  6  o 151.709 3.9081  12575.85   642.174  12844.86   782.366  12020.35   1124.25  153.011 4.7208  146.847 7.0685  6.164566       8.499994  
1 1 1 -23 33  7  o 88.199  3.5186  4244.21    336.123  4108.12    409.377  4525.74    588.818  86.489  4.3844  90.233  6.0600  -3.743675      7.479753  
1 1 1 -23 33  8  o 27.074  6.1818  421.928    177.292  447.468    204.100  343.411    357.861  27.808  6.8268  26.471  9.6340  1.337416       11.80761  
1 1 1 -23 33  9  o 78.812  3.0528  3384.02    260.594  3390.58    298.144  3362.77    536.393  78.815  3.4926  77.519  6.4471  1.296371       7.332324  
1 1 1 -23 33  10 o 52.292  2.2967  1486.17    130.080  1664.11    226.471  1398.57    158.907  55.031  3.8233  50.590  2.9124  4.441345       4.806177  
1 1 1 -23 33  11 o 19.546  6.4896  204.061    160.408  120.540    180.801  512.903    347.673  17.578  6.7543  29.879  9.5283  -12.30056      11.67944  
1 1 1 -23 33  12 o 38.884  4.5261  842.583    187.051  891.166    213.832  684.250    386.024  39.867  5.0665  33.838  9.9022  6.029629       11.12308  
1 1 1 -23 33  13 f 60.338  3.3888  1996.93    220.569  1730.86    251.886  2871.80    456.747  55.969  4.1854  71.528  5.9496  -15.55839      7.274317  
1 1 1 -23 33  14 o 51.771  4.0852  1482.34    227.208  1198.06    267.794  2212.83    429.274  46.112  5.4684  62.456  6.4382  -16.34345      8.447091  
1 1 1 -23 33  15 o 55.883  3.7795  1722.81    227.414  1605.22    265.268  2048.89    441.737  53.693  4.6060  59.738  6.9575  -6.045494      8.344014  
1 1 1 -23 33  16 o 62.820  3.6417  2174.76    246.724  2296.14    290.407  1859.87    467.759  64.378  4.1876  56.307  7.8863  8.071297       8.929111  
1 1 1 -23 33  17 o 51.497  4.2343  1475.20    234.082  1514.66    280.349  1384.37    425.369  51.901  5.0512  48.050  8.4836  3.851040       9.873502  
1 1 1 -23 33  18 o 29.479  6.8087  517.592    213.008  469.230    251.488  640.356    400.684  27.858  7.9457  32.014  10.231  -4.155373      12.95407  
1 1 1 -23 33  19 o 37.746  5.8828  830.060    232.667  885.590    272.444  680.441    447.202  38.601  6.7629  32.397  10.838  6.204308       12.77500  
1 1 1 -23 33  20 o 42.464  6.0462  1063.49    270.228  1014.52    333.148  1157.68    462.039  40.346  7.9065  41.321  10.347  -0.9751968     13.02192  
1 1 1 -23 33  21 o 23.221  8.5039  316.302    279.444  569.796    368.258  -27.8069   429.058  29.075  9.8345  20.431  9.2031  8.644442       13.46904  
1 1 1 -23 33  22 f 22.110  9.6931  114.466    444.419  114.466    444.419  0.0000     0.0000   22.110  9.6931  ?       ?       0.000000       9.693106  
1 1 1 -23 33  23 o 26.951  10.497  488.096    441.219  488.096    441.219  0.0000     0.0000   26.951  10.497  ?       ?       0.000000       10.49694  
1 1 1 -23 33  24 o 19.336  8.8715  -55.5251   422.211  -55.5251   422.211  0.0000     0.0000   19.336  8.8715  ?       ?       0.000000       8.871544  
1 1 1 -23 33  25 o 50.041  8.7967  1734.09    459.378  1734.09    459.378  0.0000     0.0000   50.041  8.7967  ?       ?       0.000000       8.796676  
1 1 1 -23 33  26 o 22.745  9.7279  275.523    425.849  275.523    425.849  0.0000     0.0000   22.745  9.7279  ?       ?       0.000000       9.727862  
1 1 1 -23 34  1  o 43.686  3.9791  1051.33    186.211  1035.38    200.486  1151.57    502.473  43.282  4.3350  43.875  10.675  -0.5928078     11.52193  
1 1 1 -23 34  2  o 56.651  3.3446  1755.13    204.314  1734.63    224.003  1856.62    498.365  56.258  3.6968  56.908  8.3323  -0.6498489     9.115602  
1 1 1 -23 34  3  o 24.140  6.2257  334.591    163.835  299.050    176.428  557.246    441.591  22.967  6.6867  31.799  10.769  -8.831919      12.67629  
1 1 1 -23 34  4  o 93.410  2.9860  4749.68    302.107  5025.73    345.926  3862.41    620.173  96.027  3.3260  83.030  6.9604  12.99733       7.714194  
1 1 1 -23 34  5  o 103.690 2.9931  5853.21    336.147  5819.58    384.923  5961.27    689.944  103.305 3.4402  103.591 6.1773  -0.2863846     7.070647  
1 1 1 -23 34  6  o 23.480  6.2041  316.319    160.145  308.686    180.148  345.081    349.674  23.299  6.7493  26.400  9.5362  -3.101831      11.68298  
1 1 1 -23 34  7  o 45.184  4.6599  1131.69    224.775  1195.53    272.386  995.433    397.948  46.239  5.5497  41.088  9.1741  5.150692       10.72214  
1 1 1 -23 34  8  o 73.704  3.1745  2960.63    253.416  2938.40    291.714  3029.00    511.625  73.255  3.6884  73.551  6.4889  -0.2953644     7.463916  
1 1 1 -23 34  9  o 50.724  3.6579  1412.82    199.615  1547.39    246.516  1156.55    340.182  52.955  4.3361  44.933  7.2356  8.021580       8.435399  
1 1 1 -23 34  10 o 47.362  4.1629  1238.59    211.381  1127.98    246.914  1542.11    409.002  44.943  5.1664  51.885  7.4953  -6.942448      9.103325  
1 1 1 -23 34  11 o 17.241  6.3904  131.858    158.593  47.777     178.665  444.274    344.395  15.730  6.4850  28.279  9.5108  -12.54947      11.51132  
1 1 1 -23 34  12 o 85.470  2.7844  3980.64    257.764  4042.33    334.775  3890.81    403.961  85.953  3.5960  83.984  4.4569  1.968719       5.726681  
1 1 1 -23 34  13 o 54.726  2.3872  1629.95    141.497  1634.05    260.247  1628.23    168.594  54.287  4.4657  54.564  2.8627  -0.2776909     5.304498  
1 1 1 -23 34  14 o 39.699  1.8550  856.247    79.763   736.495    234.596  871.900    84.816   35.754  6.2876  40.053  1.9551  -4.299961      6.584533  
1 1 1 -23 34  15 o 79.047  3.2157  3419.66    275.320  3308.19    319.155  3743.90    544.334  77.588  3.7978  81.340  6.2259  -3.751892      7.292797  
1 1 1 -23 34  16 o 50.172  4.0873  1396.81    220.182  1476.37    257.498  1180.43    424.656  51.404  4.6761  44.024  9.2022  7.379604       10.32208  
1 1 1 -23 34  17 f 58.875  2.4312  1890.44    155.031  1487.84    295.851  2042.84    182.024  51.274  5.4090  61.143  2.7486  -9.869518      6.067254  
1 1 1 -23 34  18 o 20.553  7.1056  228.895    192.460  174.684    229.845  356.083    352.058  19.864  7.6195  25.765  9.5269  -5.900944      12.19914  
1 1 1 -23 34  19 o 24.073  7.4178  347.865    212.525  244.250    244.977  663.089    427.291  21.600  7.9543  31.913  10.592  -10.31260      13.24579  
1 1 1 -23 34  20 o 21.155  7.8060  241.725    236.111  286.373    283.827  141.398    425.465  22.819  8.5309  22.624  9.7011  0.1950264      12.91853  
1 1 1 -23 34  21 o 15.856  7.0565  -33.5339   244.071  -98.9329   426.773  -1.7478    297.529  19.645  8.9783  17.809  7.8648  1.835680       11.93585  
1 1 1 -23 34  22 o 23.239  9.9574  205.905    447.635  205.905    447.635  0.0000     0.0000   23.239  9.9574  ?       ?       0.000000       9.957354  
1 1 1 -23 34  23 o 29.524  10.914  645.034    461.965  645.034    461.965  0.0000     0.0000   29.524  10.914  ?       ?       0.000000       10.91385  
1 1 1 -23 34  24 o 18.302  8.6279  -215.2859  444.095  -215.2859  444.095  0.0000     0.0000   18.302  8.6279  ?       ?       0.000000       8.627908  
1 1 1 -23 34  25 o 25.380  10.423  442.982    459.261  442.982    459.261  0.0000     0.0000   25.380  10.423  ?       ?       0.000000       10.42256  
1 1 1 -23 35  1  o 54.839  3.3506  1645.41    198.055  1606.00    216.197  1851.11    493.917  54.113  3.7112  56.808  8.2701  -2.695721      9.064603  
1 1 1 -23 35  2  o 35.904  2.1514  702.504    83.278   923.083    183.938  645.631    93.399   40.863  4.2166  34.372  2.5265  6.490746       4.915597  
1 1 1 -23 35  3  o 79.728  3.0216  3460.84    260.925  3405.37    289.471  3701.19    602.570  79.033  3.3816  81.269  6.9112  -2.235939      7.694196  
1 1 1 -23 35  4  o 61.868  3.2189  2091.13    214.954  2182.33    243.924  1774.16    454.757  63.142  3.5815  55.785  7.7345  7.356346       8.523487  
1 1 1 -23 35  5  o 62.520  3.2208  2135.51    217.361  2124.68    246.455  2173.47    461.155  62.280  3.6698  62.097  6.9773  0.1825256      7.883554  
1 1 1 -23 35  6  o 39.200  4.3370  851.589    181.054  891.360    205.572  714.055    382.283  40.006  4.8428  34.782  9.7534  5.224625       10.88951  
1 1 1 -23 35  7  o 36.326  1.8597  718.031    72.925   636.828    351.859  721.676    74.543   32.934  9.4002  36.415  1.8966  -3.480896      9.589643  
1 1 1 -23 35  8  o 29.804  5.5554  505.630    172.737  418.313    195.386  818.126    369.627  26.886  6.7263  37.154  9.2271  -10.26808      11.41857  
1 1 1 -23 35  9  o 59.626  3.4984  1947.82    224.942  1942.19    259.163  1965.01    452.922  59.424  4.0508  58.800  7.2664  0.6239204      8.319211  
1 1 1 -23 35  10 o 20.938  7.4366  218.158    211.740  280.681    265.332  108.520    351.358  23.500  8.3270  21.981  9.0813  1.518999       12.32108  
1 1 1 -23 35  11 o 34.345  2.0235  643.038    74.942   821.329    231.393  622.145    79.211   38.057  5.7968  33.763  2.1777  4.293346       6.192372  
1 1 1 -23 35  12 o 76.286  3.4521  3182.58    285.227  3194.97    338.279  3152.10    530.514  76.172  4.1155  74.688  6.6269  1.483414       7.800836  
1 1 1 -23 35  13 o 35.074  5.0539  694.227    186.451  567.100    213.838  1097.37    380.799  31.238  6.5304  43.031  8.4720  -11.79318      10.69676  
1 1 1 -23 35  14 o 36.312  5.0976  744.860    194.963  604.296    225.751  1157.34    386.718  32.179  6.6951  44.160  8.3921  -11.98026      10.73556  
1 1 1 -23 35  15 o 68.239  2.6623  2540.45    196.773  2581.77    305.351  2511.10    257.328  68.316  4.1463  67.568  3.5285  0.7485886      5.444450  
1 1 1 -23 35  16 o 29.761  6.3708  518.394    199.161  555.649    235.365  424.460    373.732  30.593  7.2195  27.705  9.8757  2.887573       12.23316  
1 1 1 -23 35  17 o 18.841  7.0537  163.358    194.174  35.272     231.389  468.289    357.021  17.084  7.2339  28.306  9.6828  -11.22225      12.08655  
1 1 1 -23 35  18 o 68.250  3.7528  2580.71    276.348  2628.64    332.046  2472.69    498.475  68.551  4.4971  64.890  7.2146  3.660973       8.501445  
1 1 1 -23 35  19 o 26.311  1.2274  375.885    34.979   97.562     244.506  381.701    35.342   18.375  7.5822  26.513  1.2307  -8.138514      7.681414  
1 1 1 -23 35  20 o 44.035  5.8061  1141.23    270.165  1430.68    330.060  553.586    470.294  48.994  6.3705  29.138  10.964  19.85639       12.68035  
1 1 1 -23 35  21 o 29.578  8.9839  582.537    313.162  622.298    440.739  541.995    445.048  29.962  10.720  28.527  10.679  1.435202       15.13124  
1 1 1 -23 35  22 o 21.055  9.3253  64.307     421.291  64.307     421.291  0.0000     0.0000   21.055  9.3253  ?       ?       0.000000       9.325298  
1 1 1 -23 35  23 o 54.225  8.2212  1922.97    467.703  1922.97    467.703  0.0000     0.0000   54.225  8.2212  ?       ?       0.000000       8.221224  
1 1 1 -23 35  24 o 26.015  9.6008  473.883    357.200  473.883    357.200  0.0000     0.0000   26.015  9.6008  ?       ?       0.000000       9.600772  
1 1 1 -23 35  25 o 31.931  11.121  843.498    471.856  843.498    471.856  0.0000     0.0000   31.931  11.121  ?       ?       0.000000       11.12093  
1 1 1 -23 36  1  o 58.810  3.2089  1890.16    203.626  1824.34    222.037  2238.41    510.714  57.711  3.5697  62.771  7.6715  -5.059822      8.461365  
1 1 1 -23 36  2  o 75.076  2.9946  3068.79    243.502  3173.70    268.592  2584.65    576.992  76.312  3.2496  67.360  8.0692  8.952248       8.698994  
1 1 1 -23 36  3  o 22.833  6.1582  298.504    155.790  269.119    166.587  503.388    439.879  21.866  6.5325  30.698  10.735  -8.831381      12.56629  
1 1 1 -23 36  4  o 105.870 2.9962  6102.76    343.564  6206.16    393.345  5770.07    705.570  106.679 3.4043  101.772 6.4340  4.907295       7.279123  
1 1 1 -23 36  5  o 151.677 3.3502  12544.21   550.387  12560.64   632.127  12492.69   1119.06  151.612 3.8495  149.725 6.9006  1.886597       7.901681  
1 1 1 -23 36  6  o 129.871 3.1676  9191.03    445.568  9639.11    510.827  7765.75    911.062  132.894 3.5489  117.680 7.1823  15.21451       8.011225  
1 1 1 -23 36  7  o 117.737 3.5660  7568.19    454.737  7482.96    551.235  7749.74    804.536  116.841 4.3558  117.970 6.3195  -1.129395      7.675277  
1 1 1 -23 36  8  o 51.948  3.5515  1480.38    198.631  1423.77    224.617  1683.46    425.423  50.828  4.1154  54.324  7.4248  -3.495586      8.489040  
1 1 1 -23 36  9  o 91.900  3.0558  4603.60    304.171  4691.31    349.672  4330.84    616.639  92.682  3.4833  87.910  6.5227  4.771873       7.394572  
1 1 1 -23 36  10 o 17.268  1.8368  163.700    33.825   308.186    213.304  159.973    34.259   23.490  7.4604  17.061  1.8854  6.428198       7.694925  
1 1 1 -23 36  11 f 31.450  5.5359  563.531    181.688  569.945    208.806  543.536    368.668  31.423  6.3536  30.625  9.8166  0.7977142      11.69334  
1 1 1 -23 36  12 o 32.448  5.7963  602.598    196.234  571.503    229.913  686.026    376.597  31.276  6.9657  33.775  9.7511  -2.498674      11.98351  
1 1 1 -23 36  13 o 39.808  4.9433  889.602    208.547  817.975    246.030  1072.43    393.072  37.760  6.2332  42.349  8.8544  -4.589050      10.82839  
1 1 1 -23 36  14 o 41.115  4.7981  947.898    209.650  900.909    246.724  1069.96    397.660  39.722  5.9151  42.132  8.9883  -2.409519      10.75999  
1 1 1 -23 36  15 o 28.545  6.4160  477.180    193.538  413.376    226.060  652.311    374.526  26.464  7.5282  32.698  9.8010  -6.233358      12.35847  
1 1 1 -23 36  16 f 47.777  2.3432  1243.78    121.253  1380.89    260.724  1205.94    136.967  49.604  4.9176  46.920  2.7066  2.683475       5.613302  
1 1 1 -23 36  17 o 47.403  4.2338  1253.88    215.086  1220.31    249.641  1350.57    423.712  46.476  5.0400  47.206  8.6041  -0.7299156     9.971561  
1 1 1 -23 36  18 o 66.774  3.6564  2469.84    263.441  2484.91    312.443  2432.78    489.980  66.671  4.3506  64.302  7.1567  2.368858       8.375326  
1 1 1 -23 36  19 o 27.042  7.3004  449.940    218.812  416.030    259.581  533.182    406.708  25.981  8.2277  29.059  10.308  -3.078053      13.18909  
1 1 1 -23 36  20 o 25.010  8.4370  389.394    271.025  547.152    347.929  145.944    432.214  28.779  9.5577  22.641  9.7447  6.137642       13.64948  
1 1 1 -23 36  21 o 46.362  6.6711  1305.10    325.342  1395.81    439.899  1195.58    483.375  45.901  9.1692  40.869  10.769  5.031311       14.14363  
1 1 1 -23 36  22 o 62.054  7.6827  2429.41    505.324  2429.41    505.324  0.0000     0.0000   62.054  7.6827  ?       ?       0.000000       7.682747  
1 1 1 -23 36  23 o 28.765  10.785  609.667    454.261  609.667    454.261  0.0000     0.0000   28.765  10.785  ?       ?       0.000000       10.78482  
1 1 1 -23 36  24 o 25.632  10.147  448.800    418.062  448.800    418.062  0.0000     0.0000   25.632  10.147  ?       ?       0.000000       10.14658  
1 1 1 -23 36  25 o 28.682  10.353  637.133    412.004  637.133    412.004  0.0000     0.0000   28.682  10.353  ?       ?       0.000000       10.35267  
1 1 1 -23 37  1  o 96.016  2.9237  5018.86    304.050  5016.89    339.335  5026.88    684.762  95.935  3.2657  94.824  6.7106  1.110985       7.463075  
1 1 1 -23 37  2  o 50.924  3.3226  1419.71    182.257  1378.64    196.303  1676.29    490.638  50.124  3.6407  53.811  8.7163  -3.687641      9.446085  
1 1 1 -23 37  3  o 118.406 3.0436  7635.52    390.335  7626.96    440.565  7666.76    841.763  118.248 3.4399  117.234 6.6567  1.013321       7.492975  
1 1 1 -23 37  4  o 58.491  3.1780  1869.61    200.577  1906.03    224.969  1728.46    442.896  58.996  3.5370  55.054  7.6328  3.942020       8.412492  
1 1 1 -23 37  5  o 25.600  5.5994  375.392    150.935  357.319    166.585  458.246    356.683  24.910  6.1991  28.865  9.6791  -3.955326      11.49412  
1 1 1 -23 37  6  o 88.784  2.9973  4293.24    288.228  4434.25    329.186  3830.00    596.646  90.162  3.3709  82.665  6.7221  7.496773       7.519919  
1 1 1 -23 37  7  o 88.831  3.4889  4307.51    335.675  4388.81    403.988  4126.20    603.281  89.514  4.1669  85.863  6.5361  3.650467       7.751305  
1 1 1 -23 37  8  o 93.460  3.0572  4760.44    309.473  5087.53    355.088  3727.01    631.162  96.546  3.3957  81.230  7.2501  15.31645       8.005939  
1 1 1 -23 37  9  o 75.213  2.7186  3079.84    221.467  3468.59    299.436  2610.37    329.060  79.686  3.4694  68.804  4.4393  10.88217       5.634151  
1 1 1 -23 37  10 o 66.413  3.2614  2407.97    234.603  2474.22    268.700  2195.51    481.198  67.143  3.7093  62.054  7.2990  5.088737       8.187434  
1 1 1 -23 37  11 o 25.771  6.3666  385.703    176.675  407.993    202.100  313.461    363.844  26.454  6.9597  25.753  9.6527  0.7009945      11.90012  
1 1 1 -23 37  12 o 107.821 3.2227  6352.51    376.357  6522.21    440.810  5896.14    722.890  109.086 3.7309  102.264 6.5611  6.822731       7.547706  
1 1 1 -23 37  13 o 32.936  6.2000  626.202    213.056  589.096    256.038  709.741    384.171  31.559  7.5847  34.196  9.8416  -2.637848      12.42515  
1 1 1 -23 37  14 o 63.408  3.8687  2217.97    264.421  2410.62    318.816  1793.39    473.299  65.908  4.4929  55.257  8.1531  10.65086       9.309070  
1 1 1 -23 37  15 o 146.041 3.4553  11698.08   546.554  11827.70   634.909  11327.16   1074.04  146.533 4.0004  140.933 7.0362  5.600647       8.093908  
1 1 1 -23 37  16 o 29.106  6.8924  501.761    213.925  495.072    259.574  515.925    377.699  28.721  8.0310  29.562  9.9600  -0.8407383     12.79445  
1 1 1 -23 37  17 o 50.871  4.5881  1451.04    250.081  1535.59    306.214  1281.71    433.358  51.955  5.5264  45.620  9.0897  6.335564       10.63781  
1 1 1 -23 37  18 o 32.665  6.5074  634.380    222.140  560.996    271.123  784.258    387.466  30.111  8.1252  34.852  9.8356  -4.740580      12.75763  
1 1 1 -23 37  19 o 26.718  7.1033  439.306    209.102  435.997    252.403  446.545    373.346  26.442  8.0731  27.073  9.8422  -0.6308384     12.72964  
1 1 1 -23 37  20 o 17.061  7.2426  57.159     232.887  144.408    278.291  -146.7261  425.412  19.750  8.1121  19.221  8.8506  0.5281658      12.00586  
1 1 1 -23 37  21 o 23.618  9.9628  234.038    436.251  234.038    436.251  0.0000     0.0000   23.618  9.9628  ?       ?       0.000000       9.962788  
1 1 1 -23 37  22 o 62.483  7.1568  2421.53    475.599  2421.53    475.599  0.0000     0.0000   62.483  7.1568  ?       ?       0.000000       7.156757  
1 1 1 -23 37  23 o 46.378  9.6358  1510.99    468.216  1510.99    468.216  0.0000     0.0000   46.378  9.6358  ?       ?       0.000000       9.635830  
1 1 1 -23 37  24 o 21.156  9.3350  131.525    418.304  131.525    418.304  0.0000     0.0000   21.156  9.3350  ?       ?       0.000000       9.335003  
1 1 1 -23 37  25 o 38.067  2.1027  798.999    86.357   798.999    86.357   0.0000     0.0000   38.067  2.1027  ?       ?       0.000000       2.102654  
1 1 1 -23 38  1  o 151.154 3.1827  12451.92   521.061  12013.01   592.258  13955.30   1096.12  148.305 3.6871  158.508 6.3847  -10.20270      7.372825  
1 1 1 -23 38  2  o 119.945 2.9504  7833.50    383.294  7697.35    431.376  8344.14    835.416  118.804 3.3524  122.459 6.3201  -3.654861      7.154186  
1 1 1 -23 38  3  o 40.916  3.7899  922.377    166.048  951.560    177.341  714.877    472.885  41.526  3.9921  35.006  11.107  6.520031       11.80267  
1 1 1 -23 38  4  o 73.717  2.9423  2958.96    234.921  3012.43    264.666  2760.39    510.042  74.330  3.2875  70.079  6.8055  4.251015       7.557915  
1 1 1 -23 38  5  o 100.634 2.9889  5515.70    325.780  5722.90    372.259  4837.87    673.293  102.431 3.3554  92.956  6.7330  9.474617       7.522760  
1 1 1 -23 38  6  o 25.076  5.7961  361.468    154.268  381.089    171.030  275.828    357.318  25.705  6.2121  25.103  9.5308  0.6016636      11.37662  
1 1 1 -23 38  7  o 83.436  3.4938  3800.99    315.736  3822.47    379.149  3752.39    570.278  83.416  4.2101  81.858  6.4853  1.558739       7.731987  
1 1 1 -23 38  8  o 86.366  3.0905  4066.68    289.098  4164.81    397.499  3956.48    421.224  87.152  4.2110  84.722  4.6077  2.430077       6.242102  
1 1 1 -23 38  9  o 71.109  3.2072  2759.19    247.016  2672.29    282.794  3038.89    507.376  69.785  3.7553  73.537  6.4350  -3.751762      7.450588  
1 1 1 -23 38  10 f 103.815 3.0679  5879.40    344.963  5858.62    396.193  5944.49    701.393  103.508 3.5340  103.005 6.3173  0.5030670      7.238626  
1 1 1 -23 38  11 o 50.101  2.4240  1366.02    131.536  1624.75    256.184  1273.39    153.283  54.166  4.4049  48.228  2.9486  5.938194       5.300696  
1 1 1 -23 38  12 o 34.445  5.5641  675.398    200.507  663.365    234.857  707.748    385.074  33.811  6.6501  34.210  9.8554  -0.3985443     11.88920  
1 1 1 -23 38  13 o 49.582  4.2216  1363.16    224.548  1360.16    264.729  1370.86    423.955  49.288  5.0294  48.136  8.4394  1.152439       9.824327  
1 1 1 -23 38  14 o 46.152  2.1118  1158.81    105.565  970.661    285.918  1188.51    113.590  40.953  6.6760  46.726  2.2445  -5.773247      7.043191  
1 1 1 -23 38  15 o 33.718  6.6803  665.145    235.342  591.651    294.139  795.898    392.328  31.310  8.4691  35.877  9.8131  -4.567316      12.96230  
1 1 1 -23 38  16 o 25.360  7.4874  379.841    219.840  446.676    272.641  255.624    371.689  27.382  8.3957  24.388  9.5947  2.994171       12.74940  
1 1 1 -23 38  17 o 51.246  2.6532  1439.66    146.759  1880.40    325.735  1327.41    164.390  57.621  5.2779  49.090  3.1078  8.531284       6.124951  
1 1 1 -23 38  18 o 30.980  7.0933  582.387    232.883  657.690    292.194  451.250    385.591  32.447  8.2854  27.601  10.007  4.845547       12.99199  
1 1 1 -23 38  19 o 24.468  7.7816  367.596    232.008  580.196    296.837  33.808     371.940  30.009  8.6552  20.248  8.8723  9.761112       12.39471  
1 1 1 -23 38  20 o 27.397  8.4470  484.598    275.550  460.925    368.801  514.512    414.576  26.914  9.7825  28.097  10.347  -1.182911      14.23966  
1 1 1 -23 38  21 o 25.923  10.008  412.355    398.361  412.355    398.361  0.0000     0.0000   25.923  10.008  ?       ?       0.000000       10.00823  
1 1 1 -23 38  22 o 22.365  9.5369  195.228    407.084  195.228    407.084  0.0000     0.0000   22.365  9.5369  ?       ?       0.000000       9.536881  
1 1 1 -23 38  23 f 27.950  10.164  564.566    398.173  564.566    398.173  0.0000     0.0000   27.950  10.164  ?       ?       0.000000       10.16376  
1 1 1 -23 38  24 o 20.438  9.0621  98.803     398.928  98.803     398.928  0.0000     0.0000   20.438  9.0621  ?       ?       0.000000       9.062067  
1 1 1 -23 38  25 o 19.645  8.8952  24.445     406.922  24.445     406.922  0.0000     0.0000   19.645  8.8952  ?       ?       0.000000       8.895179  
1 1 1 -23 39  1  o 48.697  3.1501  1297.75    165.260  1327.23    176.077  1079.72    478.879  49.220  3.3223  42.379  10.489  6.841183       11.00284  
1 1 1 -23 39  2  o 43.607  3.4492  1043.97    161.580  1051.11    171.911  989.901    473.237  43.718  3.6643  40.564  10.639  3.154137       11.25273  
1 1 1 -23 39  3  o 39.929  3.7363  878.559    159.706  845.752    169.686  1133.08    472.636  39.108  4.0655  43.513  10.205  -4.405716      10.98510  
1 1 1 -23 39  4  o 50.224  3.1829  1380.42    172.247  1310.27    189.465  1714.60    413.536  48.853  3.6062  54.965  7.1133  -6.111725      7.975154  
1 1 1 -23 39  5  o 37.023  4.0668  759.073    160.391  749.909    176.898  801.414    380.244  36.695  4.5483  36.719  9.4917  -0.2353668E-01 10.52515  
1 1 1 -23 39  6  o 78.864  2.6044  3383.51    222.463  3496.75    287.836  3215.50    350.582  80.060  3.3194  76.480  4.2490  3.579475       5.391860  
1 1 1 -23 39  7  o 73.224  3.0828  2922.97    244.497  2974.32    277.608  2745.42    516.233  73.799  3.4730  69.734  6.9265  4.065445       7.748484  
1 1 1 -23 39  8  o 126.476 3.6718  8747.52    502.992  8856.13    611.699  8520.74    883.880  126.971 4.4480  123.313 6.6423  3.657936       7.994042  
1 1 1 -23 39  9  o 91.274  3.0899  4544.37    305.462  4588.37    350.727  4406.15    621.634  91.613  3.5346  88.561  6.5267  3.051956       7.422353  
1 1 1 -23 39  10 o 25.357  6.3412  373.164    173.702  429.350    196.890  175.885    368.937  27.146  6.7300  23.401  9.4407  3.744514       11.59396  
1 1 1 -23 39  11 o 97.198  3.1671  5160.19    333.421  5087.61    386.121  5372.96    661.122  96.363  3.6995  97.792  6.2749  -1.429222      7.284265  
1 1 1 -23 39  12 o 74.148  3.4943  3010.34    280.628  2989.77    332.466  3061.31    523.348  73.606  4.1875  73.466  6.6491  0.1403427      7.857906  
1 1 1 -23 39  13 o 79.335  3.3220  3445.38    285.452  3581.62    333.872  3075.18    550.352  80.751  3.8174  73.325  7.0154  7.425911       7.986766  
1 1 1 -23 39  14 o 85.424  3.2728  3995.90    302.808  4265.48    353.527  3253.36    586.733  88.122  3.7040  75.157  7.2998  12.96502       8.185795  
1 1 1 -23 39  15 o 107.513 3.1755  6329.37    369.778  6731.98    456.306  5559.20    631.111  110.613 3.8087  99.279  5.8956  11.33438       7.018901  
1 1 1 -23 39  16 o 76.219  3.6087  3197.02    297.907  3122.86    356.462  3368.77    542.499  74.915  4.4126  76.583  6.6049  -1.668053      7.943244  
1 1 1 -23 39  17 o 64.915  3.8554  2338.43    269.851  2331.27    322.568  2355.14    492.560  64.465  4.6511  63.229  7.3283  1.235973       8.679645  
1 1 1 -23 39  18 o 30.343  7.3424  564.737    238.695  868.627    304.164  77.564     385.116  37.599  7.7273  21.343  9.1921  16.25613       12.00857  
1 1 1 -23 39  19 o 39.179  5.9991  909.930    246.466  1076.55    310.029  623.794    406.283  42.023  7.0620  30.443  10.330  11.57983       12.51291  
1 1 1 -23 39  20 o 44.569  2.0855  1086.51    100.672  752.626    388.432  1110.55    104.234  33.011  10.001  45.049  2.1363  -12.03772      10.22637  
1 1 1 -23 39  21 o 31.498  10.077  699.104    388.599  699.104    388.599  0.0000     0.0000   31.498  10.077  ?       ?       0.000000       10.07657  
1 1 1 -23 39  22 o 41.454  9.8228  1210.68    434.282  1210.68    434.282  0.0000     0.0000   41.454  9.8228  ?       ?       0.000000       9.822816  
1 1 1 -23 39  23 o 29.791  10.584  672.203    428.930  672.203    428.930  0.0000     0.0000   29.791  10.584  ?       ?       0.000000       10.58405  
1 1 1 -23 39  24 o 29.270  10.699  671.153    441.989  671.153    441.989  0.0000     0.0000   29.270  10.699  ?       ?       0.000000       10.69853  
1 1 1 -23 40  1  o 3.2234  1.5703  -32.2011   17.675   -14.2616   22.641   -60.1941   28.282   4.5815  2.0838  3.8802  1.9099  0.7012706      2.826628  
1 1 1 -23 40  2  o 65.641  2.8841  2346.15    205.049  2267.50    230.501  2644.44    448.901  64.391  3.3163  68.796  6.0873  -4.404541      6.932055  
1 1 1 -23 40  3  o 21.027  3.0497  245.825    67.428   752.080    162.673  140.803    74.092   36.833  4.1500  15.765  4.2447  21.06717       5.936363  
1 1 1 -23 40  4  o 27.517  1.7871  412.646    52.974   517.831    161.977  400.048    56.056   30.264  5.1244  27.078  1.9238  3.185863       5.473595  
1 1 1 -23 40  5  o 48.719  3.4966  1302.50    183.282  1388.82    204.433  948.893    413.764  50.260  3.7831  39.869  9.6790  10.39129       10.39211  
1 1 1 -23 40  6  f 105.780 2.9898  6097.39    342.545  6101.45    390.504  6083.82    713.413  105.717 3.4104  104.363 6.3414  1.353867       7.200333  
1 1 1 -23 40  7  o 79.864  3.0146  3476.74    260.768  3437.08    295.984  3614.29    551.215  79.329  3.4448  80.293  6.3912  -0.9640427     7.260483  
1 1 1 -23 40  8  o 19.867  7.0941  193.774    192.930  298.697    228.822  -64.2264   358.816  23.398  7.7501  19.671  8.6645  3.726620       11.62482  
1 1 1 -23 40  9  o 71.048  3.2787  2756.71    252.302  2815.50    290.600  2576.72    508.470  71.613  3.7597  67.344  7.0769  4.269043       8.013615  
1 1 1 -23 40  10 o 94.105  3.1060  4834.31    316.575  5027.38    364.734  4244.62    637.446  95.859  3.5130  86.619  6.8505  9.240471       7.698695  
1 1 1 -23 40  11 o 93.397  3.1158  4764.07    315.193  4953.06    363.364  4189.68    633.480  95.119  3.5270  85.966  6.8607  9.152824       7.714172  
1 1 1 -23 40  12 o 50.252  4.0772  1397.44    220.003  1473.47    256.032  1182.87    430.105  51.450  4.6446  44.308  9.2606  7.142101       10.36010  
1 1 1 -23 40  13 o 51.180  4.3062  1454.52    236.489  1263.39    282.111  1906.32    433.738  47.257  5.6221  57.521  7.1136  -10.26431      9.067019  
1 1 1 -23 40  14 o 113.492 3.2494  7053.12    399.432  7069.30    465.334  7007.85    778.593  113.398 3.7887  111.143 6.4961  2.254601       7.520207  
1 1 1 -23 40  15 o 84.980  3.4141  3962.80    314.244  4031.96    372.272  3791.39    586.116  85.502  4.0199  81.377  6.7096  4.124779       7.821679  
1 1 1 -23 40  16 o 49.761  2.5026  1355.14    134.452  1572.49    304.080  1302.32    149.902  52.657  5.4085  48.702  2.8542  3.954388       6.115429  
1 1 1 -23 40  17 o 20.138  7.6052  192.558    226.758  324.297    288.485  -20.4285   366.812  24.187  8.6707  19.843  8.7492  4.344612       12.31785  
1 1 1 -23 40  18 o 13.243  6.1306  -142.1850  208.122  -158.8445  257.326  -110.6770  353.886  14.800  6.8390  18.202  8.2631  -3.401992      10.72616  
1 1 1 -23 40  19 o 10.285  2.9741  59.652     35.009   476.240    275.112  52.795     35.296   27.280  8.4452  9.7823  3.0244  17.49747       8.970425  
1 1 1 -23 40  20 o 28.082  9.5257  521.749    345.507  521.749    345.507  0.0000     0.0000   28.082  9.5257  ?       ?       0.000000       9.525742  
1 1 1 -23 40  21 o 25.377  9.9864  385.427    402.742  385.427    402.742  0.0000     0.0000   25.377  9.9864  ?       ?       0.000000       9.986360  
1 1 1 -23 40  22 o 56.931  7.1382  2025.80    430.481  2025.80    430.481  0.0000     0.0000   56.931  7.1382  ?       ?       0.000000       7.138167  
1 1 1 -23 40  23 o 25.461  10.152  426.650    421.320  426.650    421.320  0.0000     0.0000   25.461  10.152  ?       ?       0.000000       10.15211  
1 1 1 -23 40  24 o 22.712  9.7508  246.506    430.769  246.506    430.769  0.0000     0.0000   22.712  9.7508  ?       ?       0.000000       9.750787  
1 1 1 -23 41  1  o 36.930  4.5514  759.854    178.200  714.200    193.625  1012.63    455.604  35.642  5.1663  41.016  10.277  -5.374298      11.50228  
1 1 1 -23 41  2  o 22.408  5.5141  288.342    132.919  292.996    139.404  241.790    440.904  22.580  5.6995  26.058  10.387  -3.477863      11.84783  
1 1 1 -23 41  3  o 48.041  3.4751  1266.57    179.604  1382.33    192.965  516.487    491.212  50.181  3.5737  31.348  11.306  18.83347       11.85712  
1 1 1 -23 41  4  o 43.803  3.6359  1055.56    170.939  1113.18    185.530  731.894    439.746  44.949  3.8479  35.113  10.642  9.836720       11.31593  
1 1 1 -23 41  5  f 38.186  3.9814  806.786    162.246  878.302    178.912  475.700    384.956  39.811  4.2133  29.416  10.054  10.39491       10.90157  
1 1 1 -23 41  6  o 55.477  2.1967  1672.51    131.993  1513.60    222.890  1758.34    163.805  52.430  3.9541  56.837  2.6609  -4.407074      4.766053  
1 1 1 -23 41  7  o 98.614  3.0154  5301.88    322.066  5415.93    368.414  4932.23    663.274  99.574  3.4160  93.736  6.5746  5.837936       7.409111  
1 1 1 -23 41  8  o 68.736  4.6738  2612.95    345.889  2564.63    479.197  2665.51    499.773  67.386  6.6524  68.642  6.8121  -1.256310      9.521559  
1 1 1 -23 41  9  o 76.038  3.1077  3155.68    255.938  3130.07    291.273  3242.45    536.116  75.638  3.5554  75.796  6.5962  -0.1573029     7.493405  
1 1 1 -23 41  10 o 112.205 3.1235  6874.62    379.596  6627.87    436.907  7634.45    766.678  110.002 3.6671  116.767 6.0832  -6.764938      7.102972  
1 1 1 -23 41  11 o 78.620  2.7383  3369.80    233.174  2978.62    319.919  3813.10    340.564  73.525  4.0327  83.383  3.7710  -9.858017      5.521146  
1 1 1 -23 41  12 o 50.338  2.4956  1380.46    136.065  1749.87    260.205  1241.44    159.629  56.189  4.3084  47.558  3.1162  8.630680       5.317209  
1 1 1 -23 41  13 o 31.223  1.2972  528.843    43.869   241.982    230.831  539.592    44.683   21.743  7.7601  31.538  1.3081  -9.795094      7.869618  
1 1 1 -23 41  14 o 61.033  3.7315  2054.59    245.489  1996.35    310.443  2151.77    401.053  59.793  4.8350  61.560  6.0951  -1.767380      7.779904  
1 1 1 -23 41  15 o 38.506  5.5959  847.886    226.555  856.822    273.962  828.555    402.935  38.231  6.8687  36.389  9.9414  1.841236       12.08346  
1 1 1 -23 41  16 o 38.274  6.0622  849.541    242.936  1102.80    305.600  414.699    400.439  43.415  6.7157  27.473  10.160  15.94218       12.17897  
1 1 1 -23 41  17 o 22.932  7.6579  304.477    223.258  337.681    278.243  244.456    374.086  24.307  8.5356  23.785  9.5377  0.5224476      12.79938  
1 1 1 -23 41  18 o 34.789  2.3958  665.740    89.723   1214.88    310.084  615.562    93.733   45.187  6.5248  33.396  2.6122  11.79089       7.028216  
1 1 1 -23 41  19 o 27.998  8.0828  501.425    258.767  229.183    344.530  853.750    391.942  22.465  9.1020  35.383  9.8595  -12.91809      13.41852  
1 1 1 -23 41  20 o 20.167  8.8044  62.516     363.296  62.516     363.296  0.0000     0.0000   20.167  8.8044  ?       ?       0.000000       8.804409  
1 1 1 -23 41  21 o 19.831  8.8489  12.850     386.550  12.850     386.550  0.0000     0.0000   19.831  8.8489  ?       ?       0.000000       8.848913  
1 1 1 -23 41  22 o 21.402  9.3249  135.007    405.672  135.007    405.672  0.0000     0.0000   21.402  9.3249  ?       ?       0.000000       9.324918  
1 1 1 -23 41  23 o 21.591  9.4290  158.087    416.923  158.087    416.923  0.0000     0.0000   21.591  9.4290  ?       ?       0.000000       9.428955  
1 1 1 -23 41  24 o 30.518  10.455  723.248    416.265  723.248    416.265  0.0000     0.0000   30.518  10.455  ?       ?       0.000000       10.45526  
1 1 1 -23 42  1  o 58.701  5.4731  1921.03    343.962  1999.88    463.811  1824.66    512.731  59.230  7.3907  55.993  8.7400  3.237068       11.44592  
1 1 1 -23 42  2  o 84.370  2.8289  3876.67    258.508  3949.08    284.751  3537.24    616.494  85.109  3.0890  79.060  7.2813  6.048920       7.909485  
1 1 1 -23 42  3  o 120.667 3.0361  7936.48    396.807  7861.39    446.593  8218.07    864.812  119.986 3.4365  121.170 6.6146  -1.183792      7.453988  
1 1 1 -23 42  4  o 66.103  2.3980  2376.00    171.687  2306.04    238.937  2450.68    246.859  64.900  3.4111  66.908  3.4179  -2.008240      4.828811  
1 1 1 -23 42  5  o 27.407  4.9205  425.836    140.693  402.672    152.656  556.493    362.558  26.513  5.4964  30.968  9.7127  -4.454720      11.16009  
1 1 1 -23 42  6  o 59.346  3.1726  1926.89    203.191  2068.48    227.292  1363.46    453.416  61.442  3.4291  48.083  9.0382  13.35971       9.666848  
1 1 1 -23 42  7  o 114.025 3.0078  7089.65    371.466  7163.45    430.918  6876.19    732.887  114.486 3.4751  110.954 6.1222  3.531807       7.039733  
1 1 1 -23 42  8  o 89.253  3.4993  4356.21    338.281  4519.48    406.523  3988.62    609.978  90.736  4.1365  84.062  6.7566  6.673965       7.922258  
1 1 1 -23 42  9  o 122.018 3.0776  8126.44    406.728  8372.12    471.345  7410.12    804.834  123.700 3.5180  114.808 6.4990  8.891861       7.390115  
1 1 1 -23 42  10 o 67.565  3.3278  2496.00    243.527  2635.00    279.442  2057.13    496.548  69.237  3.7402  59.612  7.8841  9.625019       8.726274  
1 1 1 -23 42  11 o 22.971  7.0972  300.488    194.407  312.797    229.072  268.799    367.555  23.673  7.7501  24.856  9.6086  -1.182577      12.34459  
1 1 1 -23 42  12 o 66.028  3.6360  2398.75    259.031  2573.89    305.587  1951.70    488.226  68.242  4.1542  57.788  8.0162  10.45414       9.028626  
1 1 1 -23 42  13 o 57.771  3.9474  1844.65    245.521  1795.72    290.298  1967.56    460.148  56.735  4.7684  58.230  7.4680  -1.495731      8.860494  
1 1 1 -23 42  14 o 21.692  7.2578  259.130    200.546  221.302    238.795  349.665    369.424  21.322  7.8531  26.190  9.7441  -4.868412      12.51473  
1 1 1 -23 42  15 o 20.875  7.3821  228.556    208.428  345.602    252.604  -21.1107   368.928  24.569  8.1431  20.115  8.8247  4.453857       12.00773  
1 1 1 -23 42  16 o 56.011  4.4349  1756.12    266.845  1588.07    327.860  2085.91    459.284  52.617  5.8521  59.535  7.2739  -6.917969      9.335805  
1 1 1 -23 42  17 o 10.613  2.1564  63.671     23.942   -93.3889   261.563  64.998     24.043   15.830  7.1530  10.727  2.1443  5.102750       7.467463  
1 1 1 -23 42  18 o 31.255  7.0804  601.859    234.133  693.450    291.704  436.006    392.534  33.006  8.1971  26.866  10.035  6.139933       12.95710  
1 1 1 -23 42  19 o 24.191  8.1976  359.328    255.873  366.975    341.087  349.485    386.955  24.951  9.3471  25.053  9.8101  -0.1027050     13.55021  
1 1 1 -23 42  20 o 59.933  6.8993  2185.49    439.682  2185.49    439.682  0.0000     0.0000   59.933  6.8993  ?       ?       0.000000       6.899278  
1 1 1 -23 42  21 o 55.563  7.6869  1950.90    450.212  1950.90    450.212  0.0000     0.0000   55.563  7.6869  ?       ?       0.000000       7.686908  
1 1 1 -23 42  22 o 21.786  9.2533  194.763    380.509  194.763    380.509  0.0000     0.0000   21.786  9.2533  ?       ?       0.000000       9.253349  
1 1 1 -23 42  23 o 21.391  9.3818  146.228    416.698  146.228    416.698  0.0000     0.0000   21.391  9.3818  ?       ?       0.000000       9.381773  
1 1 1 -23 42  24 o 35.222  10.797  981.729    450.900  981.729    450.900  0.0000     0.0000   35.222  10.797  ?       ?       0.000000       10.79656  
1 1 1 -23 43  1  o 105.041 4.5532  6065.96    518.017  6166.06    715.755  5955.87    750.665  105.005 6.3229  102.957 6.7694  2.048103       9.262976  
1 1 1 -23 43  2  o 61.834  2.9124  2083.35    195.048  2001.38    209.793  2605.83    529.638  60.481  3.2141  67.705  7.3401  -7.223469      8.012939  
1 1 1 -23 43  3  o 57.773  3.1244  1825.56    194.778  1817.28    209.733  1877.50    525.229  57.593  3.3770  56.736  8.8347  0.8573837      9.458104  
1 1 1 -23 43  4  o 105.689 2.9593  6088.10    338.754  6051.79    378.927  6232.62    755.978  105.286 3.3229  105.390 6.6570  -0.1040497     7.440234  
1 1 1 -23 43  5  o 105.420 3.0206  6059.36    344.899  6466.92    393.543  4709.67    716.168  108.827 3.3388  91.201  7.3116  17.62510       8.037796  
1 1 1 -23 43  6  o 68.695  3.0180  2573.37    224.551  2652.24    251.723  2266.10    496.871  69.687  3.3350  62.998  7.4245  6.688526       8.139102  
1 1 1 -23 43  7  o 27.741  5.5380  441.057    160.568  377.037    177.801  724.125    373.870  25.487  6.4387  34.742  9.6113  -9.255075      11.56868  
1 1 1 -23 43  8  o 60.824  3.8029  2034.88    249.272  2098.79    295.110  1875.74    465.686  61.601  4.4531  57.026  7.7396  4.575390       8.929269  
1 1 1 -23 43  9  o 45.466  3.9832  1142.90    194.173  1222.66    219.590  856.916    415.784  46.942  4.3691  37.525  10.035  9.416557       10.94503  
1 1 1 -23 43  10 o 51.132  3.9319  1443.50    216.083  1452.44    249.183  1416.40    433.888  51.127  4.5473  49.019  8.4791  2.108006       9.621461  
1 1 1 -23 43  11 o 60.326  3.6283  2002.43    235.968  1891.06    272.990  2331.53    469.276  58.417  4.3456  63.868  6.8932  -5.450180      8.148621  
1 1 1 -23 43  12 o 42.272  4.5660  998.599    205.735  1046.31    238.217  858.543    408.119  43.087  5.2105  37.338  9.9223  5.748833       11.20721  
1 1 1 -23 43  13 o 31.480  6.0820  574.316    199.867  553.171    233.708  631.882    385.616  30.577  7.1795  32.266  10.0000 -1.689346      12.31042  
1 1 1 -23 43  14 o 22.580  7.2389  289.858    200.470  207.414    238.194  490.077    371.197  20.950  7.8184  28.990  9.8733  -8.040302      12.59407  
1 1 1 -23 43  15 o 44.298  4.8922  1107.15    230.804  1244.35    277.304  797.783    416.385  46.718  5.5914  35.477  10.256  11.24033       11.68141  
1 1 1 -23 43  16 o 16.002  6.8407  19.858     210.405  -66.0116   258.460  188.578    362.290  16.194  7.2301  22.768  9.2927  -6.574057      11.77406  
1 1 1 -23 43  17 o 27.892  7.4407  479.546    228.936  439.691    283.762  553.859    387.474  26.672  8.6189  29.479  10.087  -2.806627      13.26796  
1 1 1 -23 43  18 o 30.800  7.3902  591.822    243.381  763.400    308.425  308.653    396.224  34.519  8.3421  24.608  9.8341  9.911436       12.89577  
1 1 1 -23 43  19 o 26.974  9.1648  468.689    319.823  468.689    319.823  0.0000     0.0000   26.974  9.1648  ?       ?       0.000000       9.164774  
1 1 1 -23 43  20 o 36.761  9.5542  926.877    383.905  926.877    383.905  0.0000     0.0000   36.761  9.5542  ?       ?       0.000000       9.554203  
1 1 1 -23 43  21 o 39.246  9.9244  1089.47    422.125  1089.47    422.125  0.0000     0.0000   39.246  9.9244  ?       ?       0.000000       9.924388  
1 1 1 -23 43  22 o 27.145  10.253  516.949    412.135  516.949    412.135  0.0000     0.0000   27.145  10.253  ?       ?       0.000000       10.25264  
1 1 1 -23 43  23 o 25.154  9.8858  422.884    394.184  422.884    394.184  0.0000     0.0000   25.154  9.8858  ?       ?       0.000000       9.885757  
1 1 1 -23 43  24 o 20.927  9.1724  136.932    397.764  136.932    397.764  0.0000     0.0000   20.927  9.1724  ?       ?       0.000000       9.172449  
1 1 1 -23 44  1  f 24.228  8.6053  300.073    283.517  128.567    372.879  535.101    436.504  22.780  9.3774  31.010  10.702  -8.230442      14.22919  
1 1 1 -23 44  2  o 3.2392  1.6190  -64.5342   23.533   -66.1057   23.568   456.234    429.035  3.2144  1.6086  29.443  10.572  -26.22897      10.69372  
1 1 1 -23 44  3  o 79.132  2.8985  3412.48    248.422  3500.14    272.437  2979.97    605.141  80.099  3.1403  72.160  7.8703  7.939148       8.473694  
1 1 1 -23 44  4  o 15.059  2.5577  126.807    40.225   325.240    145.386  110.358    41.859   23.752  5.7196  13.981  2.8607  9.771925       6.395128  
1 1 1 -23 44  5  o 77.105  2.9911  3241.87    249.797  3443.84    281.784  2500.72    539.793  79.417  3.2759  66.084  7.6851  13.33325       8.354220  
1 1 1 -23 44  6  o 50.092  3.4925  1378.47    188.300  1427.44    210.104  1178.60    424.471  50.905  3.8390  44.517  9.1104  6.387894       9.886171  
1 1 1 -23 44  7  o 22.936  6.3885  303.191    164.589  299.268    184.316  318.633    365.659  22.910  6.8775  25.877  9.6812  -2.966553      11.87536  
1 1 1 -23 44  8  o 21.886  6.8626  268.805    181.012  391.876    209.314  -96.2140   360.477  25.935  7.1975  19.247  8.5699  6.687893       11.19141  
1 1 1 -23 44  9  o 90.527  3.0957  4475.23    303.531  4800.04    348.566  3456.23    617.384  93.665  3.4359  77.737  7.4228  15.92728       8.179421  
1 1 1 -23 44  10 o 162.833 3.5207  14523.50   620.924  14313.09   715.120  15168.10   1251.67  161.328 4.0926  163.628 7.0625  -2.299820      8.162642  
1 1 1 -23 44  11 o 48.271  2.4488  1272.44    127.609  1611.05    241.622  1141.45    150.277  53.934  4.1686  45.602  3.0603  8.331718       5.171308  
1 1 1 -23 44  12 o 10.405  2.3819  61.316     26.264   -258.9124  218.193  66.024     26.456   12.456  5.9237  10.806  2.3290  1.649714       6.365059  
1 1 1 -23 44  13 f 4.2447  2.0062  -28.3551   24.295   107.190    237.219  -29.7919   24.423   18.740  7.5667  4.2131  1.9972  14.52693       7.825808  
1 1 1 -23 44  14 o 21.639  7.5345  250.943    216.583  468.509    266.971  -167.9245  370.430  27.959  8.2500  18.449  8.4058  9.509058       11.77795  
1 1 1 -23 44  15 o 27.995  7.3755  471.704    226.761  419.727    280.387  569.977    385.543  26.578  8.5653  30.472  10.058  -3.893496      13.21112  
1 1 1 -23 44  16 o 34.484  1.3543  645.884    50.582   214.317    269.533  661.638    51.497   21.407  8.2414  34.902  1.3623  -13.49472      8.353230  
1 1 1 -23 44  17 o 21.309  7.6205  250.982    222.703  294.259    276.360  170.828    376.104  23.043  8.4540  22.355  9.3286  0.6875305      12.58943  
1 1 1 -23 44  18 o 16.211  7.1192  -9.1434    240.641  -115.1187  319.131  130.531    366.374  17.051  7.7816  21.350  9.0744  -4.299400      11.95401  
1 1 1 -23 44  19 o 20.182  8.6365  98.794     335.986  98.794     335.986  0.0000     0.0000   20.182  8.6365  ?       ?       0.000000       8.636487  
1 1 1 -23 44  20 o 41.364  9.0289  1140.55    393.151  1140.55    393.151  0.0000     0.0000   41.364  9.0289  ?       ?       0.000000       9.028898  
1 1 1 -23 44  21 o 56.802  6.9929  1999.35    421.136  1999.35    421.136  0.0000     0.0000   56.802  6.9929  ?       ?       0.000000       6.992876  
1 1 1 -23 44  22 f 36.642  10.161  989.921    417.353  989.921    417.353  0.0000     0.0000   36.642  10.161  ?       ?       0.000000       10.16130  
1 1 1 -23 44  23 o 21.257  9.2809  148.936    403.735  148.936    403.735  0.0000     0.0000   21.257  9.2809  ?       ?       0.000000       9.280862  
1 1 1 -23 45  1  o 29.914  8.5260  526.471    289.671  220.440    383.581  932.622    441.894  24.474  9.7092  39.189  10.282  -14.71499      14.14189  
1 1 1 -23 45  2  f 23.453  2.3624  302.155    59.191   804.930    377.791  289.503    59.932   36.622  9.4583  22.939  2.4501  13.68299       9.770471  
1 1 1 -23 45  3  o 122.001 2.9858  8116.56    394.544  8004.78    443.605  8539.74    863.101  121.039 3.3838  123.420 6.4793  -2.380272      7.309661  
1 1 1 -23 45  4  o 28.909  4.8551  472.803    146.630  481.894    154.655  391.964    461.188  29.137  5.0857  28.661  10.841  0.4756947      11.97438  
1 1 1 -23 45  5  o 47.264  3.5148  1228.26    178.645  1176.53    197.954  1455.30    414.698  46.149  3.9999  50.085  7.9069  -3.935837      8.861056  
1 1 1 -23 45  6  o 97.140  2.9523  5146.49    310.623  5300.48    352.467  4611.01    657.282  98.495  3.3040  90.379  6.7635  8.115570       7.527359  
1 1 1 -23 45  7  o 50.748  3.6256  1416.91    197.967  1510.80    223.215  1070.86    428.522  52.331  3.9677  42.134  9.6037  10.19672       10.39106  
1 1 1 -23 45  8  o 25.563  6.8777  380.890    194.596  436.828    228.900  235.079    369.560  27.299  7.5074  24.361  9.5726  2.938631       12.16537  
1 1 1 -23 45  9  o 22.060  1.2976  264.844    30.866   141.553    227.026  267.166    31.155   19.297  7.5258  22.156  1.3041  -2.858814      7.637957  
1 1 1 -23 45  10 o 12.301  5.5988  -93.9311   163.816  -37.4066   184.620  -303.1982  355.230  14.174  6.2300  16.782  7.8492  -2.607114      10.02111  
1 1 1 -23 45  11 o 16.098  6.4972  72.867     174.822  20.233     199.708  245.457    361.633  15.828  6.7123  24.254  9.4874  -8.425449      11.62180  
1 1 1 -23 45  12 o 37.283  5.4666  790.664    214.194  881.060    253.726  566.458    399.588  39.149  6.1895  30.929  10.241  8.220165       11.96641  
1 1 1 -23 45  13 o 71.556  3.5013  2810.85    271.362  2973.36    318.526  2380.73    518.204  73.332  4.0258  63.889  7.6403  9.442867       8.635997  
1 1 1 -23 45  14 o 59.608  2.5519  1939.77    164.756  1928.18    289.283  1945.33    200.441  58.744  4.5829  59.497  3.1213  -0.7524223     5.544861  
1 1 1 -23 45  15 o 42.132  5.2651  1012.72    235.017  1169.03    283.479  669.128    420.289  45.004  5.9625  32.475  10.489  12.52858       12.06516  
1 1 1 -23 45  16 o 44.444  5.0945  1129.01    240.806  1314.12    292.429  739.053    424.431  47.642  5.7858  33.470  10.511  14.17219       11.99793  
1 1 1 -23 45  17 o 34.300  6.5521  709.422    234.535  849.449    288.443  436.215    402.903  37.108  7.4356  26.988  10.149  10.12013       12.58171  
1 1 1 -23 45  18 o 5.7191  2.3854  3.7330     24.575   -1.2488    317.334  3.7631     24.649   18.430  8.1315  5.7287  2.3891  12.70158       8.475202  
1 1 1 -23 45  19 o 29.018  9.6400  564.863    353.936  564.863    353.936  0.0000     0.0000   29.018  9.6400  ?       ?       0.000000       9.640004  
1 1 1 -23 45  20 o 20.241  8.6392  118.049    334.611  118.049    334.611  0.0000     0.0000   20.241  8.6392  ?       ?       0.000000       8.639204  
1 1 1 -23 45  21 o 29.907  10.045  642.774    384.136  642.774    384.136  0.0000     0.0000   29.907  10.045  ?       ?       0.000000       10.04464  
1 1 1 -23 45  22 o 18.614  8.4619  -39.6688   372.779  -39.6688   372.779  0.0000     0.0000   18.614  8.4619  ?       ?       0.000000       8.461888  
1 1 1 -23 45  23 o 28.143  9.9900  582.130    382.048  582.130    382.048  0.0000     0.0000   28.143  9.9900  ?       ?       0.000000       9.989953  
1 1 1 -23 46  1  o 35.435  7.9766  740.597    298.762  727.715    397.510  757.320    452.916  34.770  10.012  35.431  10.814  -0.6602821     14.73701  
1 1 1 -23 46  2  o 65.510  5.1773  2387.97    364.355  2399.71    486.342  2372.95    550.076  64.956  7.0246  64.097  8.1046  0.8595657      10.72522  
1 1 1 -23 46  3  o 48.819  3.1851  1306.64    167.496  1258.46    177.754  1688.37    500.308  47.856  3.4526  53.554  8.9405  -5.698570      9.583951  
1 1 1 -23 46  4  o 62.983  2.0711  2155.74    141.287  2060.07    176.485  2326.49    235.772  61.502  2.6494  65.164  3.3519  -3.661797      4.272529  
1 1 1 -23 46  5  o 73.461  2.9600  2943.52    235.518  3028.95    264.742  2619.35    515.684  74.459  3.2827  67.824  7.1264  6.634834       7.846181  
1 1 1 -23 46  6  o 28.374  5.1987  458.941    153.880  544.702    168.669  33.216     375.800  30.970  5.2135  21.361  9.1372  9.609568       10.51990  
1 1 1 -23 46  7  o 31.207  5.0450  551.623    164.704  582.618    182.906  418.737    378.724  31.975  5.4784  27.972  9.9445  4.003258       11.35374  
1 1 1 -23 46  8  o 33.848  4.3511  640.692    155.818  594.592    182.530  764.534    299.170  32.314  5.4062  35.955  7.8982  -3.641125      9.571214  
1 1 1 -23 46  9  o 57.578  4.0332  1831.12    249.937  1999.21    297.795  1430.53    459.711  59.998  4.6181  48.962  9.0005  11.03630       10.11610  
1 1 1 -23 46  10 o 67.991  3.3320  2530.49    245.371  2308.71    281.423  3233.59    501.074  64.662  4.0385  75.663  6.1680  -11.00082      7.372468  
1 1 1 -23 46  11 o 16.477  6.6151  81.382     180.189  -1.1549    207.476  334.718    363.491  15.694  6.7532  25.928  9.6618  -10.23392      11.78799  
1 1 1 -23 46  12 o 79.450  3.2960  3457.85    283.628  3550.51    329.153  3190.66    558.945  80.362  3.7816  74.564  7.0030  5.798279       7.958837  
1 1 1 -23 46  13 o 45.425  4.8065  1159.27    232.890  1156.46    278.503  1165.80    424.675  44.988  5.8543  43.590  9.2796  1.398357       10.97196  
1 1 1 -23 46  14 o 49.864  4.2858  1388.14    229.216  1299.25    269.215  1622.38    437.039  47.860  5.2814  52.156  7.9912  -4.295998      9.578733  
1 1 1 -23 46  15 o 52.565  2.6501  1516.13    150.393  1959.56    293.015  1357.53    175.236  59.035  4.6194  49.557  3.2833  9.477562       5.667418  
1 1 1 -23 46  16 o 102.185 3.5069  5780.06    388.134  5728.29    462.928  5902.60    712.167  101.235 4.2220  100.386 6.5865  0.8492050      7.823486  
1 1 1 -23 46  17 o 31.921  2.1894  559.786    75.239   927.460    325.082  538.977    77.339   38.360  8.0795  31.297  2.2976  7.063318       8.399827  
1 1 1 -23 46  18 o 36.840  8.7999  885.945    346.312  885.945    346.312  0.0000     0.0000   36.840  8.7999  ?       ?       0.000000       8.799880  
1 1 1 -23 46  19 o 47.311  7.7528  1405.97    383.514  1405.97    383.514  0.0000     0.0000   47.311  7.7528  ?       ?       0.000000       7.752844  
1 1 1 -23 46  20 o 27.190  9.7896  495.468    368.121  495.468    368.121  0.0000     0.0000   27.190  9.7896  ?       ?       0.000000       9.789634  
1 1 1 -23 46  21 o 20.737  8.9509  129.704    366.792  129.704    366.792  0.0000     0.0000   20.737  8.9509  ?       ?       0.000000       8.950877  
1 1 1 -23 46  22 o 25.101  9.8244  413.676    387.940  413.676    387.940  0.0000     0.0000   25.101  9.8244  ?       ?       0.000000       9.824372  
1 1 1 -23 46  23 o 19.016  8.6364  -19.1420   387.077  -19.1420   387.077  0.0000     0.0000   19.016  8.6364  ?       ?       0.000000       8.636383  
1 1 1 -23 47  1  o 61.313  5.4070  2100.14    355.391  1568.49    481.847  2734.39    526.286  51.523  8.9598  69.299  7.1126  -17.77606      11.43968  
1 1 1 -23 47  2  o 67.105  5.1519  2505.62    371.586  2879.42    499.956  2044.30    555.414  71.402  6.5373  58.975  8.9786  12.42709       11.10634  
1 1 1 -23 47  3  o 80.430  2.8277  3526.42    246.337  3362.30    268.984  4379.75    613.348  78.471  3.1648  88.209  6.4649  -9.737862      7.197942  
1 1 1 -23 47  4  o 57.695  3.1429  1822.75    195.663  1809.35    210.528  1907.69    530.101  57.429  3.3998  56.973  8.8799  0.4556046      9.508506  
1 1 1 -23 47  5  o 14.697  5.7083  78.197     130.195  90.856     140.338  0.0015     348.800  15.433  5.9453  20.186  8.7207  -4.752766      10.55454  
1 1 1 -23 47  6  o 15.692  5.8444  107.311    132.965  114.558    143.363  62.720     355.619  16.241  6.0647  21.259  8.9829  -5.017845      10.83844  
1 1 1 -23 47  7  o 23.751  6.2476  327.414    162.873  206.285    181.538  827.278    368.781  19.933  6.9004  37.020  9.2294  -17.08750      11.52381  
1 1 1 -23 47  8  o 85.007  2.9846  3945.50    274.794  3846.68    311.257  4294.74    585.102  83.827  3.4282  87.308  6.2282  -3.481247      7.109382  
1 1 1 -23 47  9  f 63.111  3.9775  2197.87    270.489  2031.43    326.530  2561.83    482.866  60.321  5.0442  67.044  6.7410  -6.722454      8.419321  
1 1 1 -23 47  10 o 26.942  1.6954  395.749    49.221   454.501    187.784  391.415    51.004   27.897  6.3565  26.785  1.7680  1.112284       6.597839  
1 1 1 -23 47  11 o 50.361  2.4554  1381.98    133.930  1663.46    252.371  1271.62    158.017  54.750  4.2901  48.135  3.0466  6.614944       5.261852  
1 1 1 -23 47  12 o 65.771  2.8014  2363.07    199.566  3179.01    300.109  1716.24    267.205  76.060  3.6430  55.511  4.4824  20.54824       5.776092  
1 1 1 -23 47  13 o 47.459  4.3214  1257.09    219.699  1170.10    254.311  1513.01    436.202  45.449  5.2636  50.287  8.2981  -4.838085      9.826711  
1 1 1 -23 47  14 o 37.836  5.6412  824.403    224.109  1016.07    268.683  386.165    406.278  41.883  6.1023  26.963  10.181  14.91963       11.86936  
1 1 1 -23 47  15 o 20.891  7.3444  238.288    206.025  336.703    246.329  9.1588     375.859  23.989  8.0436  20.352  8.9185  3.636297       12.00998  
1 1 1 -23 47  16 o 17.084  7.0709  78.403     213.579  -84.8046   261.008  409.157    371.566  15.842  7.1530  26.375  9.7803  -10.53332      12.11698  
1 1 1 -23 47  17 o 24.391  8.0229  365.149    245.374  416.313    314.481  285.529    392.306  25.936  9.0763  24.190  9.7435  1.746225       13.31596  
1 1 1 -23 47  18 o 37.072  8.8153  899.276    348.784  899.276    348.784  0.0000     0.0000   37.072  8.8153  ?       ?       0.000000       8.815269  
1 1 1 -23 47  19 o 21.312  8.9279  167.930    346.395  167.930    346.395  0.0000     0.0000   21.312  8.9279  ?       ?       0.000000       8.927917  
1 1 1 -23 47  20 o 35.166  9.7061  869.070    381.795  869.070    381.795  0.0000     0.0000   35.166  9.7061  ?       ?       0.000000       9.706079  
1 1 1 -23 47  21 o 46.264  8.4658  1418.78    408.581  1418.78    408.581  0.0000     0.0000   46.264  8.4658  ?       ?       0.000000       8.465793  
1 1 1 -23 47  22 o 30.100  10.493  686.903    420.129  686.903    420.129  0.0000     0.0000   30.100  10.493  ?       ?       0.000000       10.49308  
1 1 1 -23 48  1  o 49.360  2.8098  1332.57    149.597  1898.73    454.679  1263.84    158.417  57.443  7.4859  48.022  3.0617  9.421360       8.087769  
1 1 1 -23 48  2  o 90.482  4.6660  4526.84    455.724  4710.37    621.179  4312.92    670.642  91.538  6.3038  87.105  7.1722  4.432442       9.548723  
1 1 1 -23 48  3  o 81.940  3.6507  3677.17    323.995  3889.16    378.811  3099.55    625.301  84.130  4.1572  73.326  8.0034  10.80357       9.018660  
1 1 1 -23 48  4  o 80.799  2.8950  3560.79    253.353  3554.97    277.763  3589.56    618.054  80.674  3.1789  79.356  7.2717  1.318077       7.936132  
1 1 1 -23 48  5  o 66.798  3.1002  2436.54    224.294  2568.83    247.709  1834.42    528.487  68.542  3.3367  55.677  9.0764  12.86486       9.670280  
1 1 1 -23 48  6  o 60.478  3.1575  2003.62    206.107  2084.74    229.734  1669.00    466.604  61.624  3.4559  53.367  8.3459  8.257561       9.033141  
1 1 1 -23 48  7  o 44.449  3.9958  1093.96    190.314  1086.71    214.579  1120.72    411.997  44.158  4.5518  43.196  9.0937  0.9618301      10.16925  
1 1 1 -23 48  8  o 8.4600  2.4601  39.725     23.894   45.346     153.620  39.585     24.188   14.671  6.0267  8.4549  2.4800  6.215631       6.516976  
1 1 1 -23 48  9  o 28.369  6.2037  468.379    185.308  583.426    212.105  97.411     380.874  31.679  6.4019  22.272  9.3474  9.407583       11.32952  
1 1 1 -23 48  10 o 31.091  5.4370  553.232    176.419  627.781    198.256  269.639    386.680  33.075  5.7425  25.116  9.8145  7.958662       11.37103  
1 1 1 -23 48  11 o 27.756  6.5740  452.716    194.590  534.292    225.376  213.807    385.693  30.065  7.0443  24.087  9.6754  5.978544       11.96810  
1 1 1 -23 48  12 o 83.494  3.3076  3823.28    299.116  3803.99    347.824  3878.05    586.098  83.092  3.8648  82.320  6.6297  0.7723007      7.673925  
1 1 1 -23 48  13 o 101.838 3.2448  5692.43    357.905  5498.86    415.930  6244.64    702.516  99.822  3.8470  104.651 6.2260  -4.828415      7.318648  
1 1 1 -23 48  14 o 60.073  3.8929  2006.16    251.929  1957.16    296.574  2133.16    477.456  58.996  4.6797  59.944  7.5194  -0.9478149     8.856700  
1 1 1 -23 48  15 o 33.781  6.4876  680.758    228.741  653.512    277.732  738.213    403.306  32.417  7.9667  33.482  10.201  -1.065067      12.94325  
1 1 1 -23 48  16 o 35.456  2.2570  690.383    86.224   1059.08    278.956  651.436    90.664   42.247  6.2880  34.395  2.4497  7.852283       6.748339  
1 1 1 -23 48  17 o 51.990  6.5117  1612.15    358.632  1612.15    358.632  0.0000     0.0000   51.990  6.5117  ?       ?       0.000000       6.511728  
1 1 1 -23 48  18 o 36.846  8.9067  894.307    351.519  894.307    351.519  0.0000     0.0000   36.846  8.9067  ?       ?       0.000000       8.906697  
1 1 1 -23 48  19 o 15.785  7.4426  -252.1882  330.741  -252.1882  330.741  0.0000     0.0000   15.785  7.4426  ?       ?       0.000000       7.442557  
1 1 1 -23 48  20 o 21.934  9.4794  155.464    412.444  155.464    412.444  0.0000     0.0000   21.934  9.4794  ?       ?       0.000000       9.479445  
1 1 1 -23 48  21 o 21.042  9.0335  153.982    369.695  153.982    369.695  0.0000     0.0000   21.042  9.0335  ?       ?       0.000000       9.033463  
1 1 1 -23 48  22 o 24.279  9.6955  364.032    384.823  364.032    384.823  0.0000     0.0000   24.279  9.6955  ?       ?       0.000000       9.695528  
1 1 1 -23 49  1  o 54.038  5.9259  1647.99    341.142  1351.25    461.645  2004.98    506.344  47.493  9.3073  58.667  8.1921  -11.17444      12.39907  
1 1 1 -23 49  2  o 31.386  8.5232  586.650    297.219  404.640    387.818  845.718    462.686  27.772  10.041  37.114  10.835  -9.341480      14.77253  
1 1 1 -23 49  3  o 67.197  3.1205  2466.27    227.113  2462.75    497.103  2467.20    255.317  65.663  7.1028  67.040  3.5286  -1.377129      7.931003  
1 1 1 -23 49  4  o 56.678  3.1104  1759.72    190.210  1750.43    203.807  1822.49    529.638  56.477  3.3467  55.423  9.1419  1.053982       9.735190  
1 1 1 -23 49  5  o 81.591  2.6810  3628.53    236.924  3664.70    257.408  3428.01    606.062  81.952  2.9000  77.423  7.3139  4.528671       7.867837  
1 1 1 -23 49  6  o 66.240  3.0751  2396.88    220.620  2411.62    246.880  2338.45    491.576  66.283  3.4508  63.844  7.2367  2.438950       8.017350  
1 1 1 -23 49  7  f 61.248  2.4604  2043.13    163.219  2122.81    248.957  1983.07    216.156  62.099  3.7186  60.110  3.3332  1.989075       4.993764  
1 1 1 -23 49  8  o 74.083  3.0891  2999.50    247.870  2941.03    280.580  3207.32    528.981  73.254  3.5364  75.163  6.5636  -1.909554      7.455667  
1 1 1 -23 49  9  o 63.678  4.9484  2261.44    338.609  2263.19    470.931  2259.56    487.215  62.793  7.0459  62.603  7.3239  0.1899261      10.16287  
1 1 1 -23 49  10 o 19.164  6.7513  187.534    174.168  200.043    197.738  144.245    367.842  20.001  7.1777  22.636  9.3154  -2.634686      11.75994  
1 1 1 -23 49  11 o 21.628  6.9105  264.260    182.810  242.377    209.108  335.220    376.542  21.333  7.4047  25.995  9.8043  -4.662062      12.28638  
1 1 1 -23 49  12 o 43.725  4.5214  1071.43    211.035  1264.82    243.041  478.762    425.459  47.449  4.7949  29.096  10.518  18.35282       11.55901  
1 1 1 -23 49  13 o 74.671  3.4593  3068.90    279.777  3099.81    325.808  2982.08    545.962  74.726  4.0405  71.472  7.1486  3.254089       8.211475  
1 1 1 -23 49  14 f 35.107  6.2207  725.438    227.880  747.857    275.625  677.011    405.098  35.087  7.4812  32.398  10.280  2.689350       12.71423  
1 1 1 -23 49  15 o 14.703  6.5039  -34.9706   204.319  -101.2636  245.672  113.750    367.966  15.146  6.8792  21.418  9.0984  -6.271890      11.40633  
1 1 1 -23 49  16 o 37.598  6.8218  856.681    267.566  1009.91    348.179  635.676    418.149  39.932  8.3202  30.793  10.479  9.139618       13.38058  
1 1 1 -23 49  17 o 27.540  9.1113  488.197    316.297  488.197    316.297  0.0000     0.0000   27.540  9.1113  ?       ?       0.000000       9.111306  
1 1 1 -23 49  18 o 21.977  8.8887  222.508    327.951  222.508    327.951  0.0000     0.0000   21.977  8.8887  ?       ?       0.000000       8.888745  
1 1 1 -23 49  19 o 18.931  8.3687  19.090     337.738  19.090     337.738  0.0000     0.0000   18.931  8.3687  ?       ?       0.000000       8.368650  
1 1 1 -23 49  20 o 46.566  8.3150  1417.31    403.984  1417.31    403.984  0.0000     0.0000   46.566  8.3150  ?       ?       0.000000       8.314985  
1 1 1 -23 49  21 o 65.372  7.1856  2687.87    500.377  2687.87    500.377  0.0000     0.0000   65.372  7.1856  ?       ?       0.000000       7.185570  
1 1 1 -23 49  22 f 32.654  9.8738  784.359    378.897  784.359    378.897  0.0000     0.0000   32.654  9.8738  ?       ?       0.000000       9.873825  
1 1 1 -23 50  1  o 37.592  7.9123  835.515    311.965  706.366    421.450  992.045    463.981  34.135  10.434  40.072  10.547  -5.936974      14.83565  
1 1 1 -23 50  2  o 59.693  5.4869  1997.70    350.779  1697.73    468.120  2381.83    529.726  53.824  8.2965  64.187  7.7785  -10.36332      11.37265  
1 1 1 -23 50  3  o 23.560  8.6520  272.171    289.555  -36.7162   376.133  721.521    453.662  20.368  8.9236  34.510  10.871  -14.14236      14.06477  
1 1 1 -23 50  4  o 94.389  2.8623  4861.06    292.626  4746.46    322.760  5390.25    693.566  93.183  3.1980  97.641  6.5969  -4.457977      7.331151  
1 1 1 -23 50  5  o 34.462  4.2854  663.628    156.505  663.222    165.390  667.101    483.996  34.384  4.5530  33.521  11.275  0.8634186      12.15940  
1 1 1 -23 50  6  o 52.342  2.2985  1491.06    130.305  1630.00    212.743  1407.65    164.846  54.409  3.6309  50.679  3.0168  3.729984       4.720673  
1 1 1 -23 50  7  o 35.673  4.6832  714.842    176.577  701.312    197.727  768.133    392.402  35.136  5.3658  35.447  9.8611  -0.3103638     11.22645  
1 1 1 -23 50  8  o 59.233  3.3928  1927.52    216.760  1941.31    244.914  1877.67    465.647  59.330  3.8317  56.801  7.7729  2.529354       8.665996  
1 1 1 -23 50  9  o 12.677  1.9939  89.484     26.475   147.311    341.542  89.134     26.554   22.123  9.0253  12.650  2.0049  9.473117       9.245326  
1 1 1 -23 50  10 o 22.374  1.1686  272.238    28.221   69.726     198.381  276.421    28.511   16.777  6.8653  22.545  1.1716  -5.768360      6.964526  
1 1 1 -23 50  11 o 36.903  1.7763  740.216    70.998   651.326    231.125  749.477    74.605   33.315  6.6383  37.127  1.8553  -3.811481      6.892699  
1 1 1 -23 50  12 o 60.408  2.5317  1992.47    165.645  2102.01    268.227  1924.94    210.602  61.532  4.0473  59.118  3.3023  2.414043       5.223530  
1 1 1 -23 50  13 o 36.325  5.6641  763.301    215.580  683.877    253.155  972.878    411.227  33.746  7.1485  39.038  9.7537  -5.291519      12.09278  
1 1 1 -23 50  14 f 20.392  7.1945  225.985    197.859  218.859    230.905  245.671    383.811  20.751  7.7070  23.873  9.6298  -3.121937      12.33417  
1 1 1 -23 50  15 o 10.099  2.9983  56.993     35.174   414.871    252.132  49.890     35.522   25.871  8.0973  9.5879  3.0444  16.28343       8.650672  
1 1 1 -23 50  16 o 42.752  6.1088  1081.27    274.825  966.237    355.564  1251.96    433.140  38.779  8.6817  43.709  9.4264  -4.930202      12.81518  
1 1 1 -23 50  17 o 20.549  8.4994  152.897    308.278  152.897    308.278  0.0000     0.0000   20.549  8.4994  ?       ?       0.000000       8.499353  
1 1 1 -23 50  18 o 20.435  8.6271  130.753    327.537  130.753    327.537  0.0000     0.0000   20.435  8.6271  ?       ?       0.000000       8.627065  
1 1 1 -23 50  19 o 25.536  9.4718  414.747    348.533  414.747    348.533  0.0000     0.0000   25.536  9.4718  ?       ?       0.000000       9.471754  
1 1 1 -23 50  20 o 21.432  9.0183  187.446    356.024  187.446    356.024  0.0000     0.0000   21.432  9.0183  ?       ?       0.000000       9.018281  
1 1 1 -23 50  21 o 22.377  9.2761  250.147    368.385  250.147    368.385  0.0000     0.0000   22.377  9.2761  ?       ?       0.000000       9.276066  
1 1 1 -23 50  22 o 35.920  11.023  1010.66    469.881  1010.66    469.881  0.0000     0.0000   35.920  11.023  ?       ?       0.000000       11.02325  
1 1 1 -23 51  1  o 43.877  7.0213  1113.93    322.424  1091.07    435.231  1141.74    480.002  42.316  9.7029  43.000  10.416  -0.6836510     14.23543  
1 1 1 -23 51  2  o 56.847  5.7149  1819.78    347.106  2281.04    463.606  1231.38    523.617  63.191  6.8851  44.454  10.947  18.73685       12.93255  
1 1 1 -23 51  3  o 37.963  7.8011  850.794    310.037  896.430    404.348  785.683    482.971  38.317  9.7262  35.784  11.208  2.532452       14.83981  
1 1 1 -23 51  4  o 114.826 2.8085  7193.12    349.283  6756.53    388.676  9025.33    796.233  111.155 3.2284  127.118 5.7832  -15.96238      6.623249  
1 1 1 -23 51  5  o 93.382  2.9057  4760.18    293.894  4591.05    324.978  5519.57    688.615  91.610  3.2752  98.833  6.4686  -7.222740      7.250460  
1 1 1 -23 51  6  f 55.565  3.2662  1694.78    195.705  1750.02    217.010  1454.15    452.914  56.393  3.5713  49.436  8.7803  6.957481       9.478845  
1 1 1 -23 51  7  o 38.032  4.2647  806.562    172.650  809.883    191.163  791.864    402.156  37.982  4.7508  35.928  9.9786  2.053947       11.05180  
1 1 1 -23 51  8  o 16.320  6.2126  109.715    152.073  119.707    167.359  62.390     364.222  17.060  6.5118  21.338  9.0576  -4.277750      11.15547  
1 1 1 -23 51  9  o 13.119  5.9515  -94.4782   183.150  -187.7858  213.614  164.462    355.854  13.082  6.1083  22.676  9.2273  -9.594080      11.06592  
1 1 1 -23 51  10 f 38.251  4.7805  824.479    193.733  777.420    220.343  984.777    406.671  36.828  5.7087  39.921  9.5361  -3.092373      11.11425  
1 1 1 -23 51  11 o 36.341  5.1039  750.941    195.356  743.629    222.736  775.319    406.692  35.872  5.9407  35.113  10.132  0.7585487      11.74514  
1 1 1 -23 51  12 o 55.940  3.8701  1737.39    233.048  1660.86    268.928  1968.15    466.994  54.411  4.6065  57.611  7.6750  -3.199810      8.951256  
1 1 1 -23 51  13 o 49.655  2.4002  1347.34    129.087  1457.12    281.398  1318.08    145.275  50.570  5.2123  48.970  2.7501  1.600235       5.893298  
1 1 1 -23 51  14 o 50.564  4.3692  1441.60    236.933  1569.25    278.603  1108.04    450.369  52.479  4.9604  40.854  10.207  11.62467       11.34875  
1 1 1 -23 51  15 o 60.316  4.5696  2061.94    296.311  2030.35    372.312  2116.52    489.389  58.989  5.9066  58.657  7.9043  0.3319511      9.867465  
1 1 1 -23 51  16 o 50.448  6.4155  1513.51    342.612  1513.51    342.612  0.0000     0.0000   50.448  6.4155  ?       ?       0.000000       6.415483  
1 1 1 -23 51  17 f 24.530  9.4497  340.403    354.531  340.403    354.531  0.0000     0.0000   24.530  9.4497  ?       ?       0.000000       9.449694  
1 1 1 -23 51  18 o 18.810  8.2524  29.786     322.656  29.786     322.656  0.0000     0.0000   18.810  8.2524  ?       ?       0.000000       8.252407  
1 1 1 -23 51  19 o 18.445  8.2460  -12.6142   337.375  -12.6142   337.375  0.0000     0.0000   18.445  8.2460  ?       ?       0.000000       8.245986  
1 1 1 -23 51  20 o 18.096  8.2062  -50.2585   347.810  -50.2585   347.810  0.0000     0.0000   18.096  8.2062  ?       ?       0.000000       8.206175  
1 1 1 -23 51  21 o 19.857  8.8958  28.486     394.839  28.486     394.839  0.0000     0.0000   19.857  8.8958  ?       ?       0.000000       8.895808  
1 1 1 -23 52  1  f 24.380  8.7781  306.311    295.979  282.214    396.645  336.587    444.606  25.557  9.9530  27.234  10.557  -1.677395      14.50881  
1 1 1 -23 52  2  o 69.300  3.2057  2626.24    240.615  2725.15    266.118  2183.15    563.253  70.531  3.4836  60.798  8.8102  9.732883       9.473941  
1 1 1 -23 52  3  o 23.353  8.6617  262.788    291.462  320.978    377.631  177.050    458.387  25.945  9.8106  25.062  10.365  0.8837261      14.27153  
1 1 1 -23 52  4  o 63.879  3.0962  2230.05    214.221  2213.25    231.863  2328.00    559.910  63.495  3.3837  63.030  8.4115  0.4645844      9.066582  
1 1 1 -23 52  5  o 72.290  2.9900  2854.39    234.109  2782.23    254.852  3244.32    592.420  71.304  3.2999  75.159  7.3723  -3.854912      8.077148  
1 1 1 -23 52  6  o 39.654  1.3101  852.972    56.266   1010.58    76.323   665.351    83.274   43.142  1.6334  34.899  2.2146  8.243244       2.751750  
1 1 1 -23 52  7  o 26.581  5.8417  410.095    163.596  360.336    181.137  630.320    381.069  24.818  6.6176  32.290  9.9300  -7.472008      11.93300  
1 1 1 -23 52  8  o 26.978  5.7834  422.391    163.915  487.686    181.302  130.102    383.592  28.982  5.9743  22.743  9.4499  6.238579       11.18003  
1 1 1 -23 52  9  o 17.754  6.9007  122.628    190.384  87.520     221.980  220.296    370.244  17.873  7.2820  23.843  9.5137  -5.970304      11.98077  
1 1 1 -23 52  10 o 40.399  4.3601  913.573    187.757  914.025    210.379  911.805    416.217  40.231  4.9313  38.136  9.9660  2.094734       11.11930  
1 1 1 -23 52  11 o 41.967  4.4684  988.807    199.983  929.508    226.799  1196.02    423.964  40.382  5.3146  43.986  9.1950  -3.604748      10.62038  
1 1 1 -23 52  12 f 54.131  3.9416  1631.36    229.506  1583.74    264.319  1777.24    462.667  53.052  4.6469  54.274  8.1201  -1.222408      9.355679  
1 1 1 -23 52  13 o 38.719  5.0408  858.763    206.383  851.882    237.370  880.076    417.776  38.176  5.9333  36.555  10.177  1.621700       11.78024  
1 1 1 -23 52  14 o 27.225  2.0296  406.712    59.418   670.264    269.885  393.287    60.912   32.809  7.7230  26.753  2.1195  6.056198       8.008507  
1 1 1 -23 52  15 o 16.800  7.1256  48.722     225.116  -43.9211   279.506  219.776    379.798  16.917  7.5383  23.070  9.4764  -6.152679      12.10906  
1 1 1 -23 52  16 o 39.291  7.7571  964.981    318.400  964.981    318.400  0.0000     0.0000   39.291  7.7571  ?       ?       0.000000       7.757109  
1 1 1 -23 52  17 o 42.639  8.6789  1178.98    387.186  1178.98    387.186  0.0000     0.0000   42.639  8.6789  ?       ?       0.000000       8.678908  
1 1 1 -23 52  18 o 35.958  9.0721  871.450    353.306  871.450    353.306  0.0000     0.0000   35.958  9.0721  ?       ?       0.000000       9.072060  
1 1 1 -23 52  19 o 20.509  8.7244  138.108    339.183  138.108    339.183  0.0000     0.0000   20.509  8.7244  ?       ?       0.000000       8.724401  
1 1 1 -23 52  20 o 37.629  9.4363  994.404    383.895  994.404    383.895  0.0000     0.0000   37.629  9.4363  ?       ?       0.000000       9.436288  
1 1 1 -23 52  21 o 30.350  10.440  688.339    415.189  688.339    415.189  0.0000     0.0000   30.350  10.440  ?       ?       0.000000       10.43963  
1 1 1 -23 53  1  o 34.436  8.3978  711.247    310.407  721.000    419.024  699.385    462.092  34.349  10.383  33.969  11.001  0.3797531      15.12697  
1 1 1 -23 53  2  o 49.052  6.3932  1374.15    331.584  1609.88    440.990  1067.53    502.959  52.430  8.0207  41.280  11.036  11.14959       13.64294  
1 1 1 -23 53  3  f 27.232  8.8420  426.799    298.394  469.138    387.637  365.223    467.473  28.934  10.080  28.018  10.835  0.9151573      14.79831  
1 1 1 -23 53  4  o 30.386  8.7356  551.966    302.824  719.443    393.354  308.283    474.481  34.330  9.9814  27.227  10.799  7.103043       14.70566  
1 1 1 -23 53  5  o 30.754  2.0229  516.469    67.007   677.468    154.632  479.248    74.350   34.834  4.1821  29.578  2.3400  5.256636       4.792210  
1 1 1 -23 53  6  o 52.327  3.3543  1505.65    189.108  1524.96    209.696  1421.55    437.630  52.576  3.7061  48.880  8.5792  3.696365       9.345488  
1 1 1 -23 53  7  o 53.561  3.4684  1579.55    200.126  1585.13    223.621  1557.12    448.507  53.545  3.8822  51.248  8.3691  2.296867       9.225677  
1 1 1 -23 53  8  o 104.633 2.9177  5984.78    330.663  6237.48    390.980  5350.01    619.667  106.647 3.3848  97.376  5.9033  9.271385       6.804821  
1 1 1 -23 53  9  o 74.628  2.8616  3045.00    231.308  2779.63    349.706  3251.39    308.410  70.638  4.5959  76.870  3.7042  -6.232704      5.902829  
1 1 1 -23 53  10 o 51.824  2.3678  1464.82    132.904  1608.19    236.813  1398.90    160.577  53.779  4.0964  50.463  2.9508  3.315498       5.048541  
1 1 1 -23 53  11 o 79.581  2.7707  3467.05    238.819  3431.36    319.797  3512.05    359.091  78.819  3.7461  79.445  4.1880  -0.6264038     5.618884  
1 1 1 -23 53  12 o 32.793  5.4927  624.199    188.191  674.893    212.453  439.500    405.524  33.922  6.0020  27.643  10.224  6.279083       11.85563  
1 1 1 -23 53  13 o 35.341  5.7285  730.952    211.768  710.407    246.593  788.672    413.325  34.300  6.8771  34.410  10.292  -0.1095734     12.37822  
1 1 1 -23 53  14 o 40.369  5.7633  954.409    244.842  801.525    298.553  1268.43    427.876  35.795  7.9112  44.322  9.2137  -8.526550      12.14411  
1 1 1 -23 53  15 o 37.979  7.5355  892.972    299.033  892.972    299.033  0.0000     0.0000   37.979  7.5355  ?       ?       0.000000       7.535487  
1 1 1 -23 53  16 o 23.916  8.7189  335.530    293.278  335.530    293.278  0.0000     0.0000   23.916  8.7189  ?       ?       0.000000       8.718865  
1 1 1 -23 53  17 o 37.057  9.4029  926.535    378.017  926.535    378.017  0.0000     0.0000   37.057  9.4029  ?       ?       0.000000       9.402883  
1 1 1 -23 53  18 o 29.136  9.6379  582.313    353.920  582.313    353.920  0.0000     0.0000   29.136  9.6379  ?       ?       0.000000       9.637906  
1 1 1 -23 53  19 o 15.342  7.2789  -272.5222  325.744  -272.5222  325.744  0.0000     0.0000   15.342  7.2789  ?       ?       0.000000       7.278912  
1 1 1 -23 53  20 o 25.038  9.8637  394.143    393.303  394.143    393.303  0.0000     0.0000   25.038  9.8637  ?       ?       0.000000       9.863661  
1 1 1 -23 53  21 o 23.070  9.9804  220.493    458.112  220.493    458.112  0.0000     0.0000   23.070  9.9804  ?       ?       0.000000       9.980443  
1 1 1 -23 54  1  o 77.412  4.9712  3338.70    414.608  3472.73    570.343  3188.51    603.771  78.016  6.8182  74.273  7.6129  3.742569       10.21974  
1 1 1 -23 54  2  f 39.497  7.6380  919.560    314.929  965.082    416.659  858.895    480.989  39.640  9.7678  37.100  11.104  2.540249       14.78869  
1 1 1 -23 54  3  o 82.786  4.8573  3811.27    433.624  4209.34    588.449  3338.28    641.446  86.237  6.3446  75.830  7.9271  10.40704       10.15352  
1 1 1 -23 54  4  o 48.870  6.4401  1367.52    332.577  1372.19    435.187  1360.96    515.656  47.945  8.7009  46.867  10.427  1.077774       13.58068  
1 1 1 -23 54  5  o 78.751  2.8326  3386.35    241.603  3299.97    262.834  3857.20    613.622  77.671  3.1243  82.113  6.9652  -4.442108      7.633842  
1 1 1 -23 54  6  o 55.561  3.2794  1696.62    196.475  1814.29    213.531  1047.08    501.679  57.419  3.4495  40.650  11.088  16.76851       11.61182  
1 1 1 -23 54  7  o 28.395  5.4830  465.092    162.520  476.173    178.958  412.952    388.197  28.604  5.9693  27.628  10.037  0.9761353      11.67818  
1 1 1 -23 54  8  o 50.230  3.5957  1393.60    194.327  1506.89    216.670  927.741    439.379  52.164  3.8624  38.374  10.339  13.78999       11.03666  
1 1 1 -23 54  9  o 36.433  5.6093  762.056    214.246  770.156    251.387  740.559    409.554  36.241  6.6493  34.316  10.241  1.924927       12.21003  
1 1 1 -23 54  10 o 38.871  4.4998  851.147    185.942  813.061    208.157  1001.55    413.656  37.727  5.2352  39.818  9.6847  -2.090607      11.00912  
1 1 1 -23 54  11 o 25.253  6.5208  381.011    179.593  386.578    201.962  359.973    392.612  25.357  7.0817  26.154  9.9759  -0.7966557     12.23394  
1 1 1 -23 54  12 o 41.268  4.4383  962.905    195.260  985.801    219.276  875.223    429.109  41.543  4.9721  36.316  10.386  5.227539       11.51512  
1 1 1 -23 54  13 o 34.123  2.0752  637.942    76.332   829.984    257.923  619.508    79.911   37.206  6.6442  33.599  2.2082  3.607548       7.001512  
1 1 1 -23 54  14 o 14.603  6.8061  -189.3965  263.350  -189.3965  263.350  0.0000     0.0000   14.603  6.8061  ?       ?       0.000000       6.806135  
1 1 1 -23 54  15 o 52.772  6.6214  1663.31    370.132  1663.31    370.132  0.0000     0.0000   52.772  6.6214  ?       ?       0.000000       6.621447  
1 1 1 -23 54  16 o 39.842  8.8781  1037.38    373.323  1037.38    373.323  0.0000     0.0000   39.842  8.8781  ?       ?       0.000000       8.878129  
1 1 1 -23 54  17 o 20.120  8.4501  132.574    311.599  132.574    311.599  0.0000     0.0000   20.120  8.4501  ?       ?       0.000000       8.450125  
1 1 1 -23 54  18 o 30.886  9.4338  659.013    344.609  659.013    344.609  0.0000     0.0000   30.886  9.4338  ?       ?       0.000000       9.433778  
1 1 1 -23 54  19 f 20.735  8.7858  155.219    341.679  155.219    341.679  0.0000     0.0000   20.735  8.7858  ?       ?       0.000000       8.785754  
1 1 1 -23 54  20 o 20.617  9.0300  99.831     384.877  99.831     384.877  0.0000     0.0000   20.617  9.0300  ?       ?       0.000000       9.029974  
1 1 1 -23 55  1  o 86.088  4.8025  4123.52    446.016  4531.05    617.951  3680.34    644.405  89.330  6.4298  79.770  7.5482  9.560692       9.915562  
1 1 1 -23 55  2  o 57.097  5.7872  1844.26    352.949  2311.80    473.775  1261.20    529.081  63.387  7.0186  44.696  11.003  18.69093       13.05077  
1 1 1 -23 55  3  o 18.221  7.8978  -6.6050    287.994  -188.6416  372.017  265.649    454.958  18.364  8.3889  26.144  10.506  -7.779686      13.44431  
1 1 1 -23 55  4  o 49.093  6.4679  1383.28    335.540  1341.18    440.703  1441.34    517.558  47.178  8.9521  48.260  10.220  -1.082581      13.58607  
1 1 1 -23 55  5  o 35.688  1.1358  690.714    43.902   306.986    134.796  736.249    46.434   22.992  5.4889  36.844  1.1636  -13.85286      5.610904  
1 1 1 -23 55  6  o 55.270  3.2297  1679.15    192.497  1666.69    208.574  1750.72    500.007  54.987  3.5206  54.010  8.8543  0.9773865      9.528497  
1 1 1 -23 55  7  o 49.598  3.5752  1358.74    190.774  1407.97    211.937  1148.51    437.966  50.397  3.9134  43.083  9.6279  7.313747       10.39283  
1 1 1 -23 55  8  o 51.192  3.5068  1447.23    193.269  1389.93    214.471  1694.82    445.809  50.020  3.9919  53.453  7.9417  -3.432411      8.888531  
1 1 1 -23 55  9  o 19.057  6.4892  196.399    160.344  183.134    176.952  257.278    379.090  18.960  6.7914  24.376  9.6580  -5.416033      11.80678  
1 1 1 -23 55  10 o 31.639  6.6943  596.463    222.246  601.922    266.644  584.040    402.236  31.359  7.8646  30.618  10.279  0.7408009      12.94223  
1 1 1 -23 55  11 o 35.449  5.3613  725.956    199.417  752.489    227.204  636.948    416.138  35.801  6.0766  31.467  10.453  4.334057       12.09074  
1 1 1 -23 55  12 o 27.485  6.6416  457.627    195.512  392.695    223.970  665.547    400.782  25.330  7.5761  31.796  10.240  -6.465885      12.73778  
1 1 1 -23 55  13 o 18.411  7.2168  144.361    209.579  76.556     249.064  308.816    387.887  18.017  7.5601  24.713  9.7764  -6.696293      12.35855  
1 1 1 -23 55  14 o 75.168  4.6461  3202.55    376.411  3202.55    376.411  0.0000     0.0000   75.168  4.6461  ?       ?       0.000000       4.646145  
1 1 1 -23 55  15 o 69.613  5.1977  2787.60    389.069  2787.60    389.069  0.0000     0.0000   69.613  5.1977  ?       ?       0.000000       5.197700  
1 1 1 -23 55  16 o 25.660  9.1870  410.023    323.760  410.023    323.760  0.0000     0.0000   25.660  9.1870  ?       ?       0.000000       9.186953  
1 1 1 -23 55  17 o 26.161  9.2031  442.314    323.535  442.314    323.535  0.0000     0.0000   26.161  9.2031  ?       ?       0.000000       9.203145  
1 1 1 -23 55  18 o 31.734  9.4028  698.505    346.197  698.505    346.197  0.0000     0.0000   31.734  9.4028  ?       ?       0.000000       9.402837  
1 1 1 -23 55  19 o 22.343  9.4596  212.723    395.604  212.723    395.604  0.0000     0.0000   22.343  9.4596  ?       ?       0.000000       9.459592  
1 1 1 -23 55  20 o 24.854  9.8152  383.138    390.347  383.138    390.347  0.0000     0.0000   24.854  9.8152  ?       ?       0.000000       9.815209  
1 1 1 -23 56  1  o 67.977  5.2790  2594.46    385.624  2737.74    530.008  2433.31    562.115  68.811  7.2189  64.210  8.2752  4.600838       10.98144  
1 1 1 -23 56  2  o 104.742 4.6814  6086.09    531.091  7200.58    735.035  4868.71    768.216  112.905 6.0325  91.485  7.8283  21.42086       9.882994  
1 1 1 -23 56  3  o 164.568 5.2160  15110.76   929.716  15663.75   1301.28  14534.14   1328.79  165.279 7.2691  158.627 7.7341  6.651703       10.61395  
1 1 1 -23 56  4  o 35.018  8.3746  741.853    313.351  1093.50    406.494  226.882    491.914  42.325  9.1350  26.103  10.761  16.22161       14.11551  
1 1 1 -23 56  5  o 43.271  3.9555  1040.26    183.333  1006.06    196.632  1267.76    507.124  42.439  4.3387  44.815  10.612  -2.375751      11.46439  
1 1 1 -23 56  6  o 32.372  4.4882  591.244    153.131  565.062    161.198  833.366    490.200  31.522  4.8791  36.175  11.285  -4.653376      12.29487  
1 1 1 -23 56  7  o 14.579  2.4655  119.104    37.542   353.678    165.115  106.316    38.552   24.510  6.2118  13.717  2.6910  10.79308       6.769619  
1 1 1 -23 56  8  o 37.768  4.4032  802.368    176.739  874.485    195.592  481.448    412.603  39.358  4.6800  28.842  10.366  10.51614       11.37383  
1 1 1 -23 56  9  f 62.257  3.3493  2139.06    225.019  2109.96    252.908  2249.64    492.928  61.664  3.8053  61.614  7.5440  0.4998398E-01  8.449422  
1 1 1 -23 56  10 o 26.057  7.3439  411.598    216.163  427.669    258.100  373.844    395.603  26.502  8.1759  26.348  10.022  0.1541233      12.93426  
1 1 1 -23 56  11 o 49.081  2.4780  1321.83    131.303  1619.52    251.465  1210.24    153.958  53.639  4.3663  46.798  3.0541  6.840714       5.328419  
1 1 1 -23 56  12 o 27.311  7.3384  460.135    221.717  454.771    266.014  472.341    401.260  26.991  8.2959  27.826  10.190  -0.8354969     13.14012  
1 1 1 -23 56  13 o 56.032  5.5006  1814.07    329.522  1814.07    329.522  0.0000     0.0000   56.032  5.5006  ?       ?       0.000000       5.500604  
1 1 1 -23 56  14 f 40.693  7.4093  1018.40    314.534  1018.40    314.534  0.0000     0.0000   40.693  7.4093  ?       ?       0.000000       7.409268  
1 1 1 -23 56  15 o 15.494  6.9543  -59.3129   242.508  -59.3129   242.508  0.0000     0.0000   15.494  6.9543  ?       ?       0.000000       6.954281  
1 1 1 -23 56  16 o 29.235  8.7187  562.771    296.935  562.771    296.935  0.0000     0.0000   29.235  8.7187  ?       ?       0.000000       8.718685  
1 1 1 -23 56  17 o 30.094  8.8529  607.736    307.835  607.736    307.835  0.0000     0.0000   30.094  8.8529  ?       ?       0.000000       8.852945  
1 1 1 -23 56  18 o 26.691  9.0774  476.380    313.757  476.380    313.757  0.0000     0.0000   26.691  9.0774  ?       ?       0.000000       9.077411  
1 1 1 -23 56  19 o 31.560  10.152  724.576    394.000  724.576    394.000  0.0000     0.0000   31.560  10.152  ?       ?       0.000000       10.15162  
1 1 1 -23 56  20 o 27.672  9.9387  536.506    379.199  536.506    379.199  0.0000     0.0000   27.672  9.9387  ?       ?       0.000000       9.938743  
1 1 1 -23 57  1  o 44.495  7.1403  1159.70    332.468  1111.11    455.337  1215.18    486.577  42.080  10.115  43.894  10.395  -1.813713      14.50456  
1 1 1 -23 57  2  o 30.415  8.7585  561.743    304.184  378.621    400.998  809.925    466.828  27.047  10.134  35.775  10.989  -8.728178      14.94860  
1 1 1 -23 57  3  f 46.186  6.9012  1241.66    334.640  1207.53    442.643  1287.19    511.239  44.241  9.5198  45.079  10.642  -0.8386765     14.27827  
1 1 1 -23 57  4  o 48.609  6.6126  1366.70    339.113  1495.52    444.451  1187.24    524.612  49.900  8.5299  42.937  11.173  6.963264       14.05705  
1 1 1 -23 57  5  o 53.623  1.5931  1562.05    92.524   858.261    206.206  1739.46    103.531  38.927  5.0069  56.576  1.6895  -17.64884      5.284287  
1 1 1 -23 57  6  o 50.031  3.3947  1381.56    182.867  1375.03    194.903  1429.61    528.559  49.844  3.6353  47.394  10.566  2.449612       11.17408  
1 1 1 -23 57  7  o 16.078  6.1433  108.277    149.049  54.228     162.708  390.269    371.646  15.111  6.2044  26.683  9.8016  -11.57176      11.60022  
1 1 1 -23 57  8  o 16.285  6.2834  108.194    156.951  48.933     172.834  386.882    374.803  15.322  6.3529  26.540  9.8266  -11.21769      11.70129  
1 1 1 -23 57  9  o 33.675  4.8033  647.485    170.225  646.718    187.504  651.078    405.978  33.454  5.3555  31.876  10.310  1.577284       11.61813  
1 1 1 -23 57  10 o 34.375  6.7916  709.239    243.893  770.305    302.848  596.546    411.411  35.203  8.1098  30.537  10.394  4.666128       13.18381  
1 1 1 -23 57  11 o 37.361  5.8876  819.101    230.360  642.097    274.819  1237.31    422.427  32.053  7.9537  43.984  9.1646  -11.93032      12.13474  
1 1 1 -23 57  12 o 32.033  8.2883  649.904    289.759  649.904    289.759  0.0000     0.0000   32.033  8.2883  ?       ?       0.000000       8.288280  
1 1 1 -23 57  13 o 28.806  9.1278  533.830    319.450  533.830    319.450  0.0000     0.0000   28.806  9.1278  ?       ?       0.000000       9.127798  
1 1 1 -23 57  14 o 14.914  6.6959  -61.4793   224.974  -61.4793   224.974  0.0000     0.0000   14.914  6.6959  ?       ?       0.000000       6.695902  
1 1 1 -23 57  15 o 27.111  8.8088  473.592    296.137  473.592    296.137  0.0000     0.0000   27.111  8.8088  ?       ?       0.000000       8.808804  
1 1 1 -23 57  16 o 53.766  5.9082  1711.31    338.386  1711.31    338.386  0.0000     0.0000   53.766  5.9082  ?       ?       0.000000       5.908178  
1 1 1 -23 57  17 o 19.246  8.1539  107.397    294.264  107.397    294.264  0.0000     0.0000   19.246  8.1539  ?       ?       0.000000       8.153905  
1 1 1 -23 57  18 o 11.933  5.8897  -517.9761  275.240  -517.9761  275.240  0.0000     0.0000   11.933  5.8897  ?       ?       0.000000       5.889659  
1 1 1 -23 57  19 o 22.844  9.4690  255.439    383.822  255.439    383.822  0.0000     0.0000   22.844  9.4690  ?       ?       0.000000       9.468967  
1 1 1 -23 58  1  o 14.602  1.9781  118.127    30.478   55.837     397.948  118.494    30.568   21.778  9.3613  14.624  1.9808  7.153391       9.568599  
1 1 1 -23 58  2  o 41.979  7.3626  1043.16    322.553  1180.97    429.664  865.201    488.248  43.685  9.3624  36.641  11.235  7.044216       14.62486  
1 1 1 -23 58  3  o 127.508 4.9191  9074.80    679.345  9689.19    957.287  8451.46    964.228  129.824 6.8320  120.607 7.4173  9.216904       10.08430  
1 1 1 -23 58  4  o 96.664  4.7010  5204.65    492.179  4674.91    668.014  5833.67    727.931  89.963  6.9084  100.715 6.7115  -10.75233      9.631748  
1 1 1 -23 58  5  o 19.927  8.2395  105.589    289.589  -242.3218  365.138  695.444    475.439  17.439  8.0896  33.216  11.175  -15.77661      13.79547  
1 1 1 -23 58  6  o 63.835  3.0071  2234.50    207.912  2131.40    223.108  2914.93    573.162  62.175  3.3251  70.246  7.6573  -8.071857      8.348099  
1 1 1 -23 58  7  o 29.073  5.3250  489.850    161.501  480.830    176.930  534.910    395.441  28.608  5.9058  29.608  10.188  -0.9993267     11.77604  
1 1 1 -23 58  8  o 29.999  1.8408  491.758    59.521   578.428    177.452  480.770    63.182   31.593  5.3786  29.640  1.9795  1.953123       5.731267  
1 1 1 -23 58  9  o 76.408  2.6202  3198.15    216.841  3042.64    292.943  3386.62    322.504  74.131  3.6485  78.132  3.8110  -4.000450      5.275885  
1 1 1 -23 58  10 f 21.990  7.8480  268.035    236.087  353.221    296.245  119.772    390.829  24.682  8.7931  21.997  9.3613  2.684950       12.84339  
1 1 1 -23 58  11 o 19.900  7.3559  203.591    209.853  156.447    249.385  317.949    388.412  19.611  7.8134  24.941  9.8095  -5.330256      12.54096  
1 1 1 -23 58  12 o 22.649  8.4413  277.087    277.480  277.087    277.480  0.0000     0.0000   22.649  8.4413  ?       ?       0.000000       8.441309  
1 1 1 -23 58  13 o 20.485  8.3780  157.113    295.233  157.113    295.233  0.0000     0.0000   20.485  8.3780  ?       ?       0.000000       8.378024  
1 1 1 -23 58  14 o 44.352  7.4238  1211.50    344.021  1211.50    344.021  0.0000     0.0000   44.352  7.4238  ?       ?       0.000000       7.423808  
1 1 1 -23 58  15 o 16.444  7.4167  -68.7113   279.712  -68.7113   279.712  0.0000     0.0000   16.444  7.4167  ?       ?       0.000000       7.416711  
1 1 1 -23 58  16 o 30.165  8.6995  604.805    299.898  604.805    299.898  0.0000     0.0000   30.165  8.6995  ?       ?       0.000000       8.699477  
1 1 1 -23 58  17 o 38.029  8.0152  935.907    319.729  935.907    319.729  0.0000     0.0000   38.029  8.0152  ?       ?       0.000000       8.015183  
1 1 1 -23 58  18 o 20.219  8.3908  164.003    301.901  164.003    301.901  0.0000     0.0000   20.219  8.3908  ?       ?       0.000000       8.390821  
1 1 1 -23 58  19 o 20.085  8.4580  145.856    313.553  145.856    313.553  0.0000     0.0000   20.085  8.4580  ?       ?       0.000000       8.457991  
1 1 1 -23 59  1  o 37.740  8.1065  867.516    321.479  1073.60    438.601  628.266    472.579  41.067  9.9625  31.848  11.127  9.219036       14.93551  
1 1 1 -23 59  2  o 12.430  2.9796  88.051     39.594   515.716    389.893  83.595     39.800   29.313  10.115  12.113  3.0387  17.19979       10.56126  
1 1 1 -23 59  3  o 41.326  1.9860  929.903    88.892   942.255    90.410   571.232    487.183  41.597  2.0067  30.924  11.243  10.67267       11.42063  
1 1 1 -23 59  4  o 53.092  6.2326  1627.58    351.582  2137.38    464.603  944.447    537.817  60.299  7.2596  37.655  11.833  22.64413       13.88224  
1 1 1 -23 59  5  o 7.1665  2.7954  17.186     31.328   43.010     363.999  16.993     31.444   20.679  8.9212  7.1639  2.7989  13.51468       9.349921  
1 1 1 -23 59  6  o 46.866  3.2630  1214.01    164.602  1160.89    173.319  1702.62    525.630  45.747  3.5251  51.992  9.6906  -6.245090      10.31184  
1 1 1 -23 59  7  o 16.896  6.2330  136.768    150.525  170.964    164.263  -42.3825   375.979  18.246  6.5426  19.745  8.7741  -1.498295      10.94489  
1 1 1 -23 59  8  o 46.633  3.7537  1212.71    187.989  1307.93    208.262  793.869    436.812  48.342  4.0139  34.579  10.631  13.76252       11.36356  
1 1 1 -23 59  9  o 14.216  6.2391  -22.1439   184.572  -44.3689   211.716  48.241     376.768  14.833  6.5881  20.755  9.0149  -5.921806      11.16561  
1 1 1 -23 59  10 o 24.319  7.9306  356.524    239.952  471.878    301.239  156.278    396.896  27.457  8.8812  22.575  9.5117  4.882641       13.01341  
1 1 1 -23 59  11 o 33.191  7.4396  679.919    260.835  679.919    260.835  0.0000     0.0000   33.191  7.4396  ?       ?       0.000000       7.439608  
1 1 1 -23 59  12 o 19.709  7.8925  157.665    255.779  157.665    255.779  0.0000     0.0000   19.709  7.8925  ?       ?       0.000000       7.892467  
1 1 1 -23 59  13 o 50.591  6.4121  1522.51    343.467  1522.51    343.467  0.0000     0.0000   50.591  6.4121  ?       ?       0.000000       6.412079  
1 1 1 -23 59  14 o 38.104  7.4639  903.283    297.016  903.283    297.016  0.0000     0.0000   38.104  7.4639  ?       ?       0.000000       7.463856  
1 1 1 -23 59  15 o 46.669  7.1440  1339.58    349.621  1339.58    349.621  0.0000     0.0000   46.669  7.1440  ?       ?       0.000000       7.144006  
1 1 1 -23 59  16 f 36.614  9.0933  903.837    358.980  903.837    358.980  0.0000     0.0000   36.614  9.0933  ?       ?       0.000000       9.093320  
1 1 1 -23 59  17 o 24.415  8.8962  374.779    305.270  374.779    305.270  0.0000     0.0000   24.415  8.8962  ?       ?       0.000000       8.896155  
1 1 1 -23 59  18 o 29.781  9.1348  610.587    322.718  610.587    322.718  0.0000     0.0000   29.781  9.1348  ?       ?       0.000000       9.134766  
1 1 1 -23 60  1  o 25.037  8.9017  353.797    303.463  513.284    412.521  165.702    447.993  29.214  10.380  24.003  10.109  5.210281       14.48898  
1 1 1 -23 60  2  o 53.868  6.0736  1674.67    348.174  1702.66    468.198  1640.03    520.774  52.877  8.4603  50.957  9.7916  1.920738       12.94031  
1 1 1 -23 60  3  o 39.327  7.8358  938.809    322.048  986.860    425.452  874.332    492.831  39.157  9.9971  36.305  11.314  2.851254       15.09787  
1 1 1 -23 60  4  o 63.204  5.5568  2279.37    376.532  2396.82    501.154  2127.12    570.567  63.609  7.4133  58.494  9.3185  5.114353       11.90758  
1 1 1 -23 60  5  o 20.868  8.4186  161.601    293.368  337.390    373.029  -123.3983  474.972  25.454  9.7204  21.143  9.5886  4.311388       13.65386  
1 1 1 -23 60  6  o 25.980  5.0714  392.366    137.584  381.132    143.376  523.065    489.039  25.510  5.3595  29.686  11.178  -4.176105      12.39675  
1 1 1 -23 60  7  o 27.839  5.5771  455.418    162.302  437.890    173.982  572.979    450.573  27.119  6.0741  30.201  10.835  -3.081678      12.42159  
1 1 1 -23 60  8  o 41.639  4.6906  986.040    207.858  1149.85    237.863  456.812    427.534  44.871  4.9782  27.881  10.461  16.99033       11.58503  
1 1 1 -23 60  9  o 21.113  6.9715  258.031    185.210  261.400    209.994  246.231    392.979  21.474  7.4223  23.878  9.7042  -2.403576      12.21731  
1 1 1 -23 60  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 60  11 o 32.038  7.5387  637.344    257.237  637.344    257.237  0.0000     0.0000   32.038  7.5387  ?       ?       0.000000       7.538726  
1 1 1 -23 60  12 o 51.087  5.8275  1525.85    316.680  1525.85    316.680  0.0000     0.0000   51.087  5.8275  ?       ?       0.000000       5.827456  
1 1 1 -23 60  13 o 31.764  8.4207  650.913    294.398  650.913    294.398  0.0000     0.0000   31.764  8.4207  ?       ?       0.000000       8.420655  
1 1 1 -23 60  14 o 61.853  5.9413  2253.74    393.125  2253.74    393.125  0.0000     0.0000   61.853  5.9413  ?       ?       0.000000       5.941255  
1 1 1 -23 60  15 o 31.680  9.4061  683.194    346.171  683.194    346.171  0.0000     0.0000   31.680  9.4061  ?       ?       0.000000       9.406060  
1 1 1 -23 60  16 o 18.519  8.3549  -45.2601   355.205  -45.2601   355.205  0.0000     0.0000   18.519  8.3549  ?       ?       0.000000       8.354868  
1 1 1 -23 60  17 o 19.934  8.4287  130.902    313.423  130.902    313.423  0.0000     0.0000   19.934  8.4287  ?       ?       0.000000       8.428689  
1 1 1 -23 60  18 o 21.823  8.6823  248.291    307.529  248.291    307.529  0.0000     0.0000   21.823  8.6823  ?       ?       0.000000       8.682314  
1 1 1 -23 61  1  o 54.867  6.1061  1745.86    356.711  2371.88    491.630  1049.91    518.362  63.180  7.3200  39.252  11.471  23.92751       13.60777  
1 1 1 -23 61  2  o 63.954  5.4564  2335.26    374.343  2495.50    507.611  2144.22    554.263  64.810  7.3620  58.806  8.9875  6.004173       11.61783  
1 1 1 -23 61  3  o 52.085  6.3022  1580.97    348.296  1472.64    463.228  1721.87    528.289  48.439  9.1650  52.033  9.7317  -3.593700      13.36803  
1 1 1 -23 61  4  o 56.801  5.9366  1864.08    359.829  1806.01    476.634  1941.04    548.691  54.304  8.3729  55.477  9.4715  -1.173428      12.64179  
1 1 1 -23 61  5  o 16.617  7.5049  -96.1220   287.513  -214.8238  364.665  98.889     467.407  17.491  8.1032  23.285  10.077  -5.794050      12.93109  
1 1 1 -23 61  6  o 48.683  2.0182  1292.53    106.417  1272.36    180.997  1303.18    131.557  47.843  3.5176  48.731  2.5010  -0.8880577     4.316014  
1 1 1 -23 61  7  o 78.837  3.3874  3434.18    289.245  3321.84    329.181  3814.73    605.863  77.169  3.9517  80.258  7.0409  -3.089546      8.073998  
1 1 1 -23 61  8  o 52.944  4.0116  1570.25    228.336  1550.75    262.282  1631.31    464.058  52.303  4.6793  51.061  8.7031  1.242275       9.881250  
1 1 1 -23 61  9  o 56.691  4.6051  1818.94    280.321  1818.94    280.321  0.0000     0.0000   56.691  4.6051  ?       ?       0.000000       4.605103  
1 1 1 -23 61  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 61  11 o 23.650  8.0415  333.791    246.229  333.791    246.229  0.0000     0.0000   23.650  8.0415  ?       ?       0.000000       8.041471  
1 1 1 -23 61  12 o 40.072  6.6433  966.973    278.235  966.973    278.235  0.0000     0.0000   40.072  6.6433  ?       ?       0.000000       6.643327  
1 1 1 -23 61  13 o 30.170  8.7435  594.935    302.281  594.935    302.281  0.0000     0.0000   30.170  8.7435  ?       ?       0.000000       8.743548  
1 1 1 -23 61  14 o 31.824  9.2013  679.961    335.110  679.961    335.110  0.0000     0.0000   31.824  9.2013  ?       ?       0.000000       9.201280  
1 1 1 -23 61  15 o 24.392  9.4466  344.799    355.783  344.799    355.783  0.0000     0.0000   24.392  9.4466  ?       ?       0.000000       9.446639  
1 1 1 -23 61  16 o 18.458  8.1020  31.953     311.339  31.953     311.339  0.0000     0.0000   18.458  8.1020  ?       ?       0.000000       8.102011  
1 1 1 -23 61  17 f 18.005  8.3691  -171.2843  393.871  -171.2843  393.871  0.0000     0.0000   18.005  8.3691  ?       ?       0.000000       8.369135  
1 1 1 -23 62  1  o 26.709  9.0210  434.583    309.850  416.137    422.964  455.948    455.198  27.182  10.358  28.138  10.740  -0.9563999     14.92041  
1 1 1 -23 62  2  o 17.597  7.7706  -28.2139   290.420  0.8376     381.964  -68.0219   447.120  20.305  8.9419  20.954  9.4209  -0.6483746     12.98886  
1 1 1 -23 62  3  o 23.915  8.8246  312.878    301.757  -0.8373    395.128  751.893    467.422  20.582  9.0777  33.545  11.075  -12.96258      14.31998  
1 1 1 -23 62  4  o 26.755  10.746  354.514    475.657  0.0000     0.0000   354.514    475.657  ?       ?       26.755  10.746  0.000000       10.74564  
1 1 1 -23 62  5  o 22.798  10.007  53.008     474.962  0.0000     0.0000   53.008     474.962  ?       ?       22.798  10.007  0.000000       10.00693  
1 1 1 -23 62  6  o 16.408  8.0061  -692.2200  464.727  0.0000     0.0000   -692.2200  464.727  ?       ?       16.408  8.0061  0.000000       8.006113  
1 1 1 -23 62  7  o 24.964  6.5946  376.688    180.971  376.688    180.971  0.0000     0.0000   24.964  6.5946  ?       ?       0.000000       6.594586  
1 1 1 -23 62  8  o 19.691  7.0131  208.834    188.431  208.834    188.431  0.0000     0.0000   19.691  7.0131  ?       ?       0.000000       7.013054  
1 1 1 -23 62  9  o 30.871  7.4148  588.973    244.812  588.973    244.812  0.0000     0.0000   30.871  7.4148  ?       ?       0.000000       7.414789  
1 1 1 -23 62  10 o 33.192  10.121  739.358    396.895  739.358    396.895  0.0000     0.0000   33.192  10.121  ?       ?       0.000000       10.12111  
1 1 1 -23 62  11 o 21.684  7.7348  265.499    229.293  265.499    229.293  0.0000     0.0000   21.684  7.7348  ?       ?       0.000000       7.734751  
1 1 1 -23 62  12 o 54.917  5.5420  1753.89    325.130  1753.89    325.130  0.0000     0.0000   54.917  5.5420  ?       ?       0.000000       5.541955  
1 1 1 -23 62  13 o 29.781  7.8315  566.002    255.973  566.002    255.973  0.0000     0.0000   29.781  7.8315  ?       ?       0.000000       7.831469  
1 1 1 -23 62  14 f 25.270  9.0854  398.589    316.958  398.589    316.958  0.0000     0.0000   25.270  9.0854  ?       ?       0.000000       9.085438  
1 1 1 -23 62  15 o 33.121  8.6725  730.381    314.783  730.381    314.783  0.0000     0.0000   33.121  8.6725  ?       ?       0.000000       8.672487  
1 1 1 -23 62  16 o 34.180  9.0531  794.644    340.471  794.644    340.471  0.0000     0.0000   34.180  9.0531  ?       ?       0.000000       9.053092  
1 1 1 -23 62  17 o 38.778  9.7347  1050.78    408.252  1050.78    408.252  0.0000     0.0000   38.778  9.7347  ?       ?       0.000000       9.734675  
1 1 1 -23 63  1  o 29.400  10.873  534.512    458.605  0.0000     0.0000   534.512    458.605  ?       ?       29.400  10.873  0.000000       10.87288  
1 1 1 -23 63  2  o 36.122  11.241  894.734    486.699  0.0000     0.0000   894.734    486.699  ?       ?       36.122  11.241  0.000000       11.24104  
1 1 1 -23 63  3  o 31.400  11.209  642.422    481.610  0.0000     0.0000   642.422    481.610  ?       ?       31.400  11.209  0.000000       11.20883  
1 1 1 -23 63  4  o 25.557  10.555  276.768    474.457  0.0000     0.0000   276.768    474.457  ?       ?       25.557  10.555  0.000000       10.55529  
1 1 1 -23 63  5  o 62.823  8.8937  2464.11    588.259  0.0000     0.0000   2464.11    588.259  ?       ?       62.823  8.8937  0.000000       8.893724  
1 1 1 -23 63  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 63  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 63  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 63  9  o 21.480  7.3941  264.516    208.300  264.516    208.300  0.0000     0.0000   21.480  7.3941  ?       ?       0.000000       7.394119  
1 1 1 -23 63  10 o 30.945  9.5921  632.087    354.779  632.087    354.779  0.0000     0.0000   30.945  9.5921  ?       ?       0.000000       9.592069  
1 1 1 -23 63  11 o 33.673  6.8528  692.694    241.430  692.694    241.430  0.0000     0.0000   33.673  6.8528  ?       ?       0.000000       6.852783  
1 1 1 -23 63  12 o 64.097  5.0468  2362.06    347.531  2362.06    347.531  0.0000     0.0000   64.097  5.0468  ?       ?       0.000000       5.046770  
1 1 1 -23 63  13 o 20.205  8.2276  165.856    283.177  165.856    283.177  0.0000     0.0000   20.205  8.2276  ?       ?       0.000000       8.227634  
1 1 1 -23 63  14 o 22.979  8.8217  294.461    308.246  294.461    308.246  0.0000     0.0000   22.979  8.8217  ?       ?       0.000000       8.821651  
1 1 1 -23 63  15 o 47.820  7.6787  1444.19    384.251  1444.19    384.251  0.0000     0.0000   47.820  7.6787  ?       ?       0.000000       7.678740  
1 1 1 -23 63  16 o 28.799  9.8828  573.319    371.974  573.319    371.974  0.0000     0.0000   28.799  9.8828  ?       ?       0.000000       9.882801  
1 1 1 -23 64  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 64  12 o 14.349  6.6433  -148.4609  244.487  -148.4609  244.487  0.0000     0.0000   14.349  6.6433  ?       ?       0.000000       6.643298  
1 1 1 -23 64  13 o 32.695  8.1608  692.397    288.081  692.397    288.081  0.0000     0.0000   32.695  8.1608  ?       ?       0.000000       8.160761  
1 1 1 -23 64  14 o 16.846  7.6114  -65.8123   296.066  -65.8123   296.066  0.0000     0.0000   16.846  7.6114  ?       ?       0.000000       7.611366  
1 1 1 -23 64  15 o 47.781  7.3101  1422.28    366.280  1422.28    366.280  0.0000     0.0000   47.781  7.3101  ?       ?       0.000000       7.310057  
1 1 1 -23 64  16 o 36.120  9.7518  912.481    390.420  912.481    390.420  0.0000     0.0000   36.120  9.7518  ?       ?       0.000000       9.751784  
1 1 1 -23 65  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 65  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 66  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 67  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 68  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 69  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 70  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 71  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 72  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 73  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 74  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 75  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 75  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 75  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 75  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -23 75  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 0   1  o 65.473  4.6082  2360.88    323.069  2360.88    323.069  2360.88    323.069  65.473  4.6082  65.473  4.6082  0.000000       0.000000  
1 1 1 -22 0   2  o 108.392 4.4501  6407.81    520.442  6407.81    520.442  6407.81    520.442  108.392 4.4501  108.392 4.4501  0.000000       0.000000  
1 1 1 -22 0   3  o 441.816 10.701  107172.50  5114.07  107172.50  5114.07  107172.50  5114.07  441.816 10.701  441.816 10.701  -0.000000      0.000000  
1 1 1 -22 0   4  o 268.479 6.9197  39314.28   2009.15  39314.28   2009.15  39314.28   2009.15  268.479 6.9197  268.479 6.9197  -0.000000      0.000000  
1 1 1 -22 0   5  o 9.8329  6.8390  -233.9268  258.650  -233.9268  258.650  -233.9268  258.650  9.8329  6.8390  9.8329  6.8390  0.000000       0.000000  
1 1 1 -22 0   6  o 107.956 4.3398  6355.97    505.574  6355.97    505.574  6355.97    505.574  107.956 4.3398  107.956 4.3398  0.000000       0.000000  
1 1 1 -22 0   7  o 311.319 7.7557  52978.85   2611.48  52978.85   2611.48  52978.85   2611.48  311.319 7.7557  311.319 7.7557  0.000000       0.000000  
1 1 1 -22 0   8  o 341.964 8.4382  64048.15   3121.08  64048.15   3121.08  64048.15   3121.08  341.964 8.4382  341.964 8.4382  -0.000000      0.000000  
1 1 1 -22 0   9  o 27.244  10.011  542.078    273.084  542.078    273.084  542.078    273.084  27.244  10.011  27.244  10.011  0.000000       0.000000  
1 1 1 -22 0   10 o 55.076  5.7228  1703.73    332.945  1703.73    332.945  1703.73    332.945  55.076  5.7228  55.076  5.7228  -0.000000      0.000000  
1 1 1 -22 0   11 o 37.052  8.6474  861.870    301.697  861.870    301.697  861.870    301.697  37.052  8.6474  37.052  8.6474  0.000000       0.000000  
1 1 1 -22 0   12 o 225.438 6.0554  27787.54   1476.15  27787.54   1476.15  27787.54   1476.15  225.438 6.0554  225.438 6.0554  0.000000       0.000000  
1 1 1 -22 0   13 o 56.640  5.0431  1787.91    303.736  1787.91    303.736  1787.91    303.736  56.640  5.0431  56.640  5.0431  0.000000       0.000000  
1 1 1 -22 0   14 o 46.810  5.7616  1248.59    280.246  1248.59    280.246  1248.59    280.246  46.810  5.7616  46.810  5.7616  0.000000       0.000000  
1 1 1 -22 0   15 o 21.325  9.8935  367.508    252.982  367.508    252.982  367.508    252.982  21.325  9.8935  21.325  9.8935  -0.000000      0.000000  
1 1 1 -22 0   16 o 13.429  8.3999  62.084     251.309  62.084     251.309  62.084     251.309  13.429  8.3999  13.429  8.3999  0.000000       0.000000  
1 1 1 -22 0   17 o 21.759  10.435  389.209    283.507  389.209    283.507  389.209    283.507  21.759  10.435  21.759  10.435  0.000000       0.000000  
1 1 1 -22 0   18 o 41.750  7.2720  1041.35    298.957  1041.35    298.957  1041.35    298.957  41.750  7.2720  41.750  7.2720  -0.000000      0.000000  
1 1 1 -22 0   19 f 9.1218  6.4933  -383.0980  279.512  -383.0980  279.512  -383.0980  279.512  9.1218  6.4933  9.1218  6.4933  0.000000       0.000000  
1 1 1 -22 0   20 o 70.929  5.2277  2804.71    396.595  2804.71    396.595  2804.71    396.595  70.929  5.2277  70.929  5.2277  0.000000       0.000000  
1 1 1 -22 0   21 o 11.625  7.9001  -145.6720  301.355  -145.6720  301.355  -145.6720  301.355  11.625  7.9001  11.625  7.9001  0.000000       0.000000  
1 1 1 -22 0   22 o 59.769  6.5070  2050.81    408.575  2050.81    408.575  2050.81    408.575  59.769  6.5070  59.769  6.5070  0.000000       0.000000  
1 1 1 -22 0   23 o 41.666  1.5319  945.581    68.919   945.581    68.919   945.581    68.919   41.666  1.5319  41.666  1.5319  0.000000       0.000000  
1 1 1 -22 0   24 o 25.029  11.133  532.992    319.509  532.992    319.509  532.992    319.509  25.029  11.133  25.029  11.133  0.000000       0.000000  
1 1 1 -22 0   25 o 27.152  11.279  622.818    330.493  622.818    330.493  622.818    330.493  27.152  11.279  27.152  11.279  0.000000       0.000000  
1 1 1 -22 0   26 o 13.572  8.8520  27.766     317.253  27.766     317.253  27.766     317.253  13.572  8.8520  13.572  8.8520  -0.000000      0.000000  
1 1 1 -22 0   27 o 26.412  12.006  648.093    371.776  648.093    371.776  648.093    371.776  26.412  12.006  26.412  12.006  -0.000000      0.000000  
1 1 1 -22 0   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 0   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 1   1  o 145.642 3.3255  11514.12   524.578  11548.83   740.553  11479.16   743.184  145.693 4.6930  145.248 4.7241  0.4446106      6.658898  
1 1 1 -22 1   2  o 140.384 3.2789  10696.85   498.565  10547.23   698.156  10852.55   712.209  139.243 4.6292  141.241 4.6556  -1.997391      6.565408  
1 1 1 -22 1   3  o 106.066 3.1490  6105.19    361.756  6298.35    519.800  5923.76    503.775  107.617 4.4595  104.368 4.4565  3.248993       6.304572  
1 1 1 -22 1   4  o 252.164 4.6387  34595.52   1266.92  35310.42   1791.14  33879.76   1792.24  254.188 6.5059  248.936 6.6472  5.252197       9.301145  
1 1 1 -22 1   5  o 232.925 4.3751  29507.50   1103.77  29447.36   1561.04  29567.63   1560.89  232.186 6.2074  232.663 6.1940  -0.4779816     8.769124  
1 1 1 -22 1   6  o 21.221  7.1879  229.404    196.726  316.991    258.674  109.250    302.973  24.681  8.2429  21.141  8.5460  3.540371       11.87346  
1 1 1 -22 1   7  o 135.732 3.2722  10003.81   481.049  10143.55   680.087  9863.88    680.526  136.498 4.6001  134.593 4.6682  1.905441       6.553889  
1 1 1 -22 1   8  o 50.664  4.1882  1406.03    227.761  1469.21    327.007  1346.50    317.412  51.505  5.9728  49.258  6.0783  2.246147       8.521770  
1 1 1 -22 1   9  o 100.546 3.1923  5491.29    347.651  5522.24    499.958  5462.32    483.749  100.669 4.5853  100.138 4.4602  0.5310745      6.396718  
1 1 1 -22 1   10 o 19.363  7.2364  157.118    204.191  242.163    285.365  67.891     292.298  23.307  8.5846  20.029  8.2796  3.277428       11.92674  
1 1 1 -22 1   11 o 34.937  6.0579  688.366    220.928  474.876    311.113  905.537    313.784  29.146  8.9738  39.859  7.5447  -10.71231      11.72397  
1 1 1 -22 1   12 o 85.970  3.4299  4021.71    319.370  3917.41    459.613  4119.10    444.102  84.467  5.0469  86.689  4.7479  -2.221840      6.929234  
1 1 1 -22 1   13 o 37.065  5.2629  767.672    205.344  698.840    248.819  914.666    363.613  34.990  6.8106  39.701  8.6965  -4.711414      11.04598  
1 1 1 -22 1   14 o 15.183  6.2201  46.070     163.086  87.034     230.193  4.7865     231.088  18.417  7.4475  16.851  7.1854  1.565901       10.34873  
1 1 1 -22 1   15 o 61.237  3.4388  2050.23    227.157  2099.70    321.388  2000.85    321.111  61.690  4.8491  60.183  4.9707  1.506954       6.944184  
1 1 1 -22 1   16 o 136.434 3.2653  10146.65   482.523  9857.28    682.347  10436.09   682.435  134.007 4.7012  137.937 4.5678  -3.929947      6.554874  
1 1 1 -22 1   17 o 22.229  7.0750  273.316    191.760  232.212    285.378  307.153    258.927  22.797  8.5479  24.080  8.2459  -1.283119      11.87697  
1 1 1 -22 1   18 o 27.251  6.9062  432.418    204.099  372.425    276.210  504.572    302.914  25.880  8.5121  29.409  8.8141  -3.528727      12.25330  
1 1 1 -22 1   19 o 38.231  5.6032  828.723    225.129  1019.05    319.628  641.341    317.149  41.889  7.3108  32.755  8.7665  9.134304       11.41490  
1 1 1 -22 1   20 o 22.638  7.6903  278.610    225.190  221.385    332.523  327.088    306.055  23.257  9.0975  24.957  8.9326  -1.700562      12.74972  
1 1 1 -22 1   21 o 28.038  7.6030  468.798    236.708  816.232    349.519  174.436    321.718  36.554  8.9093  22.056  8.8447  14.49797       12.55405  
1 1 1 -22 1   22 o 42.334  5.4231  1020.73    242.946  684.094    340.028  1371.80    347.241  33.252  9.1524  48.560  6.7877  -15.30807      11.39471  
1 1 1 -22 1   23 o 24.590  7.6311  359.155    224.475  570.050    312.563  134.518    322.586  30.289  8.9237  21.100  8.7080  9.188868       12.46844  
1 1 1 -22 1   24 o 22.715  7.6384  302.569    222.140  542.182    313.180  59.953     315.136  29.155  9.0081  19.448  8.3443  9.707466       12.27897  
1 1 1 -22 1   25 o 25.518  7.6349  414.121    227.432  339.883    321.410  488.569    321.865  24.009  9.0575  27.223  9.1943  -3.213734      12.90633  
1 1 1 -22 1   26 o 44.057  5.4816  1151.20    255.919  1268.21    369.786  1043.63    354.543  44.251  8.0104  39.618  8.5158  4.632336       11.69122  
1 1 1 -22 1   27 o 24.658  8.3533  405.786    265.686  39.698     364.088  822.788    388.582  19.303  8.6025  33.289  9.9843  -13.98647      13.17907  
1 1 1 -22 1   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 1   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 2   1  o 105.771 3.0539  6070.67    349.859  6078.87    489.822  6062.13    499.883  105.742 4.2768  105.588 4.3710  0.1547775      6.115321  
1 1 1 -22 2   2  o 126.041 3.1760  8621.57    433.568  8392.81    613.493  8849.83    612.823  124.218 4.5599  127.570 4.4352  -3.352196      6.361117  
1 1 1 -22 2   3  o 158.067 3.4696  13565.29   594.011  14022.19   839.754  13107.73   840.363  160.516 4.8302  155.166 5.0004  5.349594       6.952291  
1 1 1 -22 2   4  o 216.659 4.1538  25516.01   974.756  26128.90   1378.29  24902.72   1378.74  218.855 5.8145  213.619 5.9590  5.235992       8.325733  
1 1 1 -22 2   5  o 149.911 3.4493  12203.02   560.063  11788.85   797.549  12605.96   786.659  147.128 5.0049  152.180 4.7726  -5.052155      6.915672  
1 1 1 -22 2   6  o 163.769 3.5238  14567.18   625.054  14506.25   888.607  14626.86   879.384  163.179 5.0278  163.870 4.9546  -0.6909790     7.058802  
1 1 1 -22 2   7  o 76.242  3.3311  3156.74    275.079  3296.34    378.580  3000.59    400.374  77.690  4.5186  74.035  5.0227  3.655060       6.756144  
1 1 1 -22 2   8  f 83.058  3.2983  3746.86    296.716  3696.32    418.029  3798.18    421.230  82.238  4.7128  83.371  4.6838  -1.133392      6.644394  
1 1 1 -22 2   9  o 146.353 3.2939  11636.72   522.129  11745.08   730.197  11523.35   746.889  146.811 4.5921  145.389 4.7430  1.422440       6.601783  
1 1 1 -22 2   10 o 188.094 3.7872  19249.97   771.540  18186.61   1083.80  20342.57   1098.60  182.355 5.4873  192.939 5.2571  -10.58380      7.599198  
1 1 1 -22 2   11 o 44.327  4.9128  1086.26    231.903  1272.48    327.083  898.023    328.846  47.688  6.5019  39.601  7.9432  8.087807       10.26501  
1 1 1 -22 2   12 o 111.877 3.3231  6808.89    402.676  6743.74    557.483  6879.96    582.264  111.105 4.6326  112.188 4.7919  -1.082390      6.665074  
1 1 1 -22 2   13 o 115.204 3.1604  7219.86    394.343  7028.09    459.973  7751.73    766.033  113.562 3.7396  118.542 5.9857  -4.980148      7.057846  
1 1 1 -22 2   14 o 64.575  3.2976  2276.30    229.870  2286.25    323.135  2266.10    327.071  64.465  4.6593  64.161  4.7401  0.3042831      6.646668  
1 1 1 -22 2   15 o 102.503 3.1151  5720.19    345.848  6144.05    484.591  5280.17    493.743  106.000 4.2209  98.166  4.6438  7.833611       6.275357  
1 1 1 -22 2   16 o 87.015  3.1294  4125.12    294.936  4367.69    418.365  3885.46    415.850  89.293  4.3258  84.040  4.5859  5.252579       6.304200  
1 1 1 -22 2   17 o 50.807  3.9546  1421.16    215.904  1420.10    303.671  1422.24    307.027  50.361  5.6656  50.381  5.7283  -0.2007675E-01 8.056815  
1 1 1 -22 2   18 o 22.021  7.2508  264.113    200.401  169.509    267.773  384.567    302.149  21.015  8.1795  26.455  8.9083  -5.440897      12.09394  
1 1 1 -22 2   19 o 46.363  4.7715  1198.84    236.183  1181.86    331.645  1216.31    336.432  45.306  6.9828  45.977  6.9748  -0.6714630     9.869534  
1 1 1 -22 2   20 o 61.673  3.9328  2099.59    261.333  2131.93    369.114  2067.08    370.050  61.561  5.5970  60.565  5.7085  0.9958954      7.994535  
1 1 1 -22 2   21 o 139.672 3.4273  10704.69   518.483  10855.46   732.598  10553.38   733.894  139.747 4.8401  137.730 4.9197  2.016830       6.901433  
1 1 1 -22 2   22 o 74.995  3.5993  3095.36    292.362  2445.01    407.170  3787.53    420.056  65.603  5.7898  82.356  4.7290  -16.75329      7.475641  
1 1 1 -22 2   23 o 41.377  5.7059  986.625    248.906  1117.10    329.847  814.063    379.329  43.304  7.2917  35.773  9.5930  7.530609       12.04970  
1 1 1 -22 2   24 o 56.243  4.2869  1780.82    259.182  1498.66    362.347  2076.43    370.880  50.120  6.8545  59.852  5.7937  -9.731747      8.975018  
1 1 1 -22 2   25 o 18.298  7.4563  126.107    232.770  325.989    341.527  -47.2861   318.094  23.926  9.2585  17.671  7.9454  6.254759       12.20035  
1 1 1 -22 2   26 o 21.367  7.8635  266.954    239.362  276.372    353.062  258.943    325.618  22.843  9.2284  22.212  8.9013  0.6317768      12.82178  
1 1 1 -22 2   27 o 21.176  7.9137  266.472    244.197  365.211    363.575  185.318    329.611  24.105  9.4875  20.729  8.6975  3.376074       12.87093  
1 1 1 -22 2   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 2   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 3   1  o 79.243  3.0227  3407.29    259.435  3297.18    365.877  3518.63    367.924  77.749  4.3624  80.341  4.2432  -2.591347      6.085685  
1 1 1 -22 3   2  o 42.176  4.6787  979.495    210.123  993.555    287.239  963.310    308.183  42.167  6.4980  41.384  7.1330  0.7826157      9.649045  
1 1 1 -22 3   3  o 114.588 3.1104  7125.45    386.035  6927.32    544.793  7325.25    547.087  112.862 4.4567  116.069 4.3518  -3.207649      6.229001  
1 1 1 -22 3   4  o 150.658 3.4087  12323.17   556.223  12019.32   783.801  12631.43   789.466  148.594 4.8700  152.345 4.7845  -3.750366      6.827048  
1 1 1 -22 3   5  o 234.887 4.3952  30008.95   1118.18  30096.08   1577.70  29921.00   1585.02  234.722 6.2058  234.023 6.2532  0.6992035      8.809975  
1 1 1 -22 3   6  o 266.067 4.7445  38542.21   1367.25  36721.59   1927.53  40385.88   1939.69  258.952 6.8724  271.685 6.5917  -12.73331      9.522649  
1 1 1 -22 3   7  o 91.696  3.3007  4565.97    327.811  4190.30    468.608  4925.98    458.740  87.554  4.9619  95.136  4.4520  -7.581543      6.666409  
1 1 1 -22 3   8  o 89.006  3.2933  4302.80    317.487  4551.30    446.214  4048.00    451.828  91.424  4.5062  86.047  4.8680  5.376839       6.633514  
1 1 1 -22 3   9  o 63.940  3.6214  2229.71    249.769  2353.14    364.667  2120.63    342.799  65.457  5.1861  62.126  5.1406  3.331291       7.302136  
1 1 1 -22 3   10 o 136.395 3.2899  10110.82   486.020  10370.41   692.791  9859.25    682.010  137.893 4.6386  134.443 4.6836  3.450562       6.591914  
1 1 1 -22 3   11 o 85.004  3.3009  3928.72    303.904  3945.86    427.440  3911.21    432.170  84.896  4.6665  84.507  4.7408  0.3893204      6.652153  
1 1 1 -22 3   12 o 73.781  3.2517  2960.75    259.853  3095.98    303.816  2592.28    501.515  75.396  3.7204  68.202  6.8834  7.194916       7.824474  
1 1 1 -22 3   13 o 24.201  6.7943  332.905    185.397  432.341    222.746  108.689    334.481  27.446  7.3473  21.799  8.9167  5.646862       11.55382  
1 1 1 -22 3   14 o 64.027  3.1273  2230.89    216.870  2230.71    288.348  2231.13    329.073  63.766  4.1985  63.646  4.8092  0.1205368      6.383988  
1 1 1 -22 3   15 o 84.048  3.1748  3846.65    289.014  3687.07    418.603  3992.01    399.518  81.878  4.7405  85.312  4.3380  -3.433235      6.425804  
1 1 1 -22 3   16 o 74.477  3.3891  3025.23    273.387  2751.94    386.793  3298.06    386.463  70.547  5.0964  77.394  4.6316  -6.847626      6.886562  
1 1 1 -22 3   17 o 96.485  3.1243  5075.29    326.504  5523.83    457.191  4608.41    466.440  100.388 4.2048  91.433  4.7262  8.955025       6.325914  
1 1 1 -22 3   18 o 81.248  3.3201  3604.95    292.165  3393.60    402.126  3841.26    425.208  78.349  4.7613  83.385  4.7275  -5.036034      6.709608  
1 1 1 -22 3   19 f 74.756  3.5224  3059.13    285.202  2906.59    399.505  3217.67    407.279  72.264  5.1377  76.116  4.9675  -3.851250      7.146431  
1 1 1 -22 3   20 o 15.412  6.7141  -22.6825   210.247  114.530    294.270  -165.7645  300.498  20.441  8.3626  16.499  7.5378  3.942158       11.25842  
1 1 1 -22 3   21 o 15.460  6.7668  -28.9949   215.818  -23.1839   300.991  -35.1437   309.616  18.313  8.0041  18.394  8.0767  -0.8081055E-01 11.37095  
1 1 1 -22 3   22 o 36.208  6.1419  761.075    232.258  647.739    321.103  885.430    336.350  32.443  8.8794  38.164  8.3677  -5.720749      12.20086  
1 1 1 -22 3   23 o 26.242  7.7936  415.667    237.632  129.757    339.360  690.726    332.858  21.386  8.8875  33.183  9.0233  -11.79609      12.66521  
1 1 1 -22 3   24 o 30.058  7.1664  554.735    230.019  620.024    321.404  486.186    329.334  31.025  9.0230  27.810  9.3008  3.214880       12.95833  
1 1 1 -22 3   25 o 19.844  7.6315  199.261    230.936  350.515    331.878  57.273     321.552  24.302  9.1952  19.148  8.3226  5.153994       12.40232  
1 1 1 -22 3   26 o 22.480  8.0858  308.656    251.072  318.968    395.148  301.675    325.140  23.978  9.7363  22.988  8.9950  0.9898872      13.25539  
1 1 1 -22 3   27 o 16.919  7.6464  -39.4961   299.015  -28.6922   396.405  -53.7588   455.460  19.137  8.7098  19.942  9.1734  -0.8056870     12.64958  
1 1 1 -22 3   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 3   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 4   1  o 81.486  3.0898  3603.29    272.696  3515.85    375.076  3701.34    397.172  80.297  4.3287  82.376  4.4682  -2.078896      6.221145  
1 1 1 -22 4   2  o 111.324 3.1788  6725.90    383.291  6397.70    528.422  7090.30    556.800  108.457 4.4983  114.177 4.5025  -5.719398      6.364538  
1 1 1 -22 4   3  o 134.741 3.2643  9854.40    476.394  9931.34    669.227  9775.36    678.311  135.118 4.5729  134.040 4.6722  1.078400       6.537658  
1 1 1 -22 4   4  o 59.070  3.6339  1902.18    231.367  1908.83    322.308  1895.11    332.327  58.986  5.0949  58.744  5.2795  0.2421722      7.336961  
1 1 1 -22 4   5  o 74.951  3.3898  3050.23    275.185  3279.22    376.298  2786.98    403.461  77.508  4.5018  71.323  5.2599  6.184570       6.923356  
1 1 1 -22 4   6  o 77.045  3.2566  3222.75    271.754  3120.17    385.358  3324.24    383.286  75.557  4.7328  78.023  4.5553  -2.466240      6.568882  
1 1 1 -22 4   7  o 91.284  3.2226  4524.47    318.617  4724.60    446.969  4317.71    454.307  93.172  4.4292  88.914  4.7345  4.257591       6.483286  
1 1 1 -22 4   8  o 190.342 3.8336  19698.79   790.345  19941.53   1113.38  19452.22   1122.11  191.145 5.3779  188.754 5.4887  2.390228       7.684198  
1 1 1 -22 4   9  o 93.824  3.2805  4782.56    333.365  5072.87    475.852  4502.75    467.168  96.487  4.5534  90.754  4.7694  5.733055       6.593963  
1 1 1 -22 4   10 o 142.499 3.3830  11038.43   522.140  11297.14   740.671  10782.85   736.183  143.895 4.7524  140.562 4.8356  3.331909       6.779948  
1 1 1 -22 4   11 o 70.382  3.6822  2703.31    279.725  2781.44    391.297  2621.67    400.030  71.146  5.1120  69.005  5.3953  2.141708       7.432446  
1 1 1 -22 4   12 o 52.130  3.9611  1489.56    221.982  1421.04    261.658  1665.49    419.298  50.762  4.8168  54.411  7.2988  -3.649418      8.744947  
1 1 1 -22 4   13 o 86.663  3.2371  4086.67    303.852  4107.91    359.274  4033.30    569.439  86.807  3.8212  85.344  6.2028  1.463348       7.285325  
1 1 1 -22 4   14 o 147.111 3.4040  11787.86   542.388  11515.60   630.464  12563.23   1063.95  145.241 4.0077  150.722 6.5174  -5.480804      7.651021  
1 1 1 -22 4   15 o 51.047  3.9560  1431.62    217.018  1478.76    318.165  1390.60    296.770  51.472  5.8086  49.954  5.5804  1.518230       8.054875  
1 1 1 -22 4   16 o 62.140  3.4714  2113.18    232.708  2200.37    328.649  2025.52    329.550  63.107  4.8452  60.473  5.0785  2.634460       7.019015  
1 1 1 -22 4   17 o 69.162  3.3749  2610.73    252.812  2753.02    350.574  2456.56    364.917  70.642  4.6071  66.574  5.0996  4.068169       6.872527  
1 1 1 -22 4   18 o 121.477 3.2560  8056.26    428.396  7571.17    600.674  8558.42    611.148  117.241 4.7303  124.740 4.5235  -7.499458      6.545042  
1 1 1 -22 4   19 o 31.433  6.6396  574.807    218.960  464.738    303.481  694.314    316.224  28.294  8.8882  34.089  8.5731  -5.794458      12.34902  
1 1 1 -22 4   20 o 53.435  4.3392  1585.07    248.963  1546.48    348.889  1625.10    355.375  52.078  6.3144  53.424  6.2602  -1.346058      8.891674  
1 1 1 -22 4   21 f 79.916  3.4888  3506.39    301.981  3274.56    420.523  3753.23    433.923  76.483  5.1057  82.003  4.9081  -5.519798      7.082198  
1 1 1 -22 4   22 o 78.335  3.5282  3375.19    299.351  3440.32    415.774  3305.09    431.349  78.378  4.9227  76.656  5.2265  1.721764       7.179794  
1 1 1 -22 4   23 o 53.860  4.4278  1626.24    256.012  1376.73    352.901  1903.42    371.960  48.350  6.9377  57.480  6.0662  -9.130249      9.215741  
1 1 1 -22 4   24 o 14.302  6.5416  -115.0178  227.144  35.615     299.247  -319.7855  348.899  18.675  8.0727  15.962  7.5617  2.712545       11.06107  
1 1 1 -22 4   25 o 45.675  5.3313  1221.26    258.784  1391.63    375.341  1066.89    357.277  47.090  7.6195  40.509  8.4179  6.581009       11.35419  
1 1 1 -22 4   26 o 32.002  9.7878  730.780    370.817  730.780    370.817  0.0000     0.0000   32.002  9.7878  ?       ?       0.000000       9.787849  
1 1 1 -22 4   27 o 41.784  8.9194  1203.46    391.375  1203.46    391.375  0.0000     0.0000   41.784  8.9194  ?       ?       0.000000       8.919352  
1 1 1 -22 4   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 4   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 5   1  o 211.044 4.0635  24206.76   928.855  23225.30   1311.04  25195.92   1316.18  206.323 5.8667  214.955 5.6532  -8.631714      8.147236  
1 1 1 -22 5   2  o 228.996 4.2934  28510.86   1064.87  27292.75   1501.36  29743.99   1510.59  223.574 6.2000  233.466 5.9738  -9.892441      8.609701  
1 1 1 -22 5   3  o 199.791 3.9423  21689.26   853.091  21193.04   1204.89  22188.07   1208.02  197.147 5.6427  201.750 5.5283  -4.602646      7.899510  
1 1 1 -22 5   4  o 203.056 4.0141  22408.47   882.816  22579.09   1247.11  22237.09   1249.87  203.472 5.6589  201.911 5.7153  1.561050       8.042830  
1 1 1 -22 5   5  o 76.455  3.4416  3174.15    284.994  2891.81    395.158  3480.19    411.419  72.690  5.0504  79.815  4.7812  -7.124733      6.954610  
1 1 1 -22 5   6  o 22.799  7.0837  283.452    193.360  116.582    250.678  528.584    303.827  19.792  7.8499  30.585  8.7369  -10.79332      11.74543  
1 1 1 -22 5   7  o 154.263 3.3902  12925.16   566.448  12773.87   792.990  13082.78   809.419  153.136 4.7810  154.969 4.8223  -1.832794      6.790656  
1 1 1 -22 5   8  o 236.383 4.4061  30420.74   1128.09  31851.39   1598.99  29003.03   1591.75  241.288 6.1184  230.143 6.3857  11.14532       8.843765  
1 1 1 -22 5   9  o 81.779  3.2440  3633.26    287.343  3388.73    408.591  3872.54    404.173  78.685  4.8175  84.197  4.4478  -5.511589      6.556753  
1 1 1 -22 5   10 o 59.627  3.8800  1943.15    249.215  2023.83    357.071  1866.51    347.991  60.585  5.5015  58.145  5.5948  2.440052       7.846534  
1 1 1 -22 5   11 o 82.202  3.0036  3671.57    267.421  3828.06    346.211  3440.09    421.063  83.850  3.8121  79.195  4.9333  4.654518       6.234584  
1 1 1 -22 5   12 o 48.634  4.1052  1298.79    214.221  1254.48    251.818  1414.86    407.530  47.640  4.9527  49.944  7.7877  -2.304115      9.229200  
1 1 1 -22 5   13 o 89.011  3.1463  4310.11    303.326  4275.48    354.355  4405.05    586.721  88.578  3.6936  89.235  6.1073  -0.6570206     7.137292  
1 1 1 -22 5   14 o 69.100  3.4325  2601.05    256.900  2673.61    304.057  2420.02    480.263  69.866  4.0353  65.752  6.8440  4.113167       7.945035  
1 1 1 -22 5   15 o 112.022 3.1077  6832.09    377.063  7194.67    533.971  6471.47    532.527  114.678 4.2990  108.703 4.5230  5.974907       6.240103  
1 1 1 -22 5   16 o 97.984  3.0856  5230.21    327.461  5099.38    462.918  5361.25    463.281  96.449  4.4313  98.923  4.3239  -2.474113      6.191358  
1 1 1 -22 5   17 o 81.024  3.2097  3580.46    281.674  3433.85    391.556  3737.69    405.505  78.927  4.6003  82.367  4.5632  -3.440163      6.479618  
1 1 1 -22 5   18 o 25.175  7.0195  366.865    198.599  409.433    261.205  308.542    305.747  26.714  8.2222  24.759  8.9210  1.954950       12.13218  
1 1 1 -22 5   19 o 32.353  6.7554  609.420    229.077  559.017    306.115  673.570    345.350  30.671  8.7727  33.477  9.2277  -2.806091      12.73221  
1 1 1 -22 5   20 o 51.192  4.4875  1458.15    246.306  1388.17    344.208  1531.58    352.603  49.176  6.6315  51.776  6.4257  -2.599720      9.234015  
1 1 1 -22 5   21 o 20.783  7.5064  217.574    216.650  186.699    296.814  252.781    316.956  21.742  8.5676  23.435  8.9575  -1.693285      12.39520  
1 1 1 -22 5   22 o 27.851  7.5776  465.630    234.666  211.409    332.334  718.429    331.403  22.823  9.0428  34.139  8.8790  -11.31573      12.67312  
1 1 1 -22 5   23 o 47.362  4.8641  1269.00    245.976  984.256    338.151  1588.99    358.463  40.188  8.0492  52.249  6.4728  -12.06061      10.32894  
1 1 1 -22 5   24 o 43.759  8.4946  1204.21    388.088  1204.21    388.088  0.0000     0.0000   43.759  8.4946  ?       ?       0.000000       8.494555  
1 1 1 -22 5   25 o 32.288  9.6088  719.598    360.946  719.598    360.946  0.0000     0.0000   32.288  9.6088  ?       ?       0.000000       9.608835  
1 1 1 -22 5   26 o 15.431  7.3534  -303.3877  339.798  -303.3877  339.798  0.0000     0.0000   15.431  7.3534  ?       ?       0.000000       7.353402  
1 1 1 -22 5   27 f 31.973  9.8347  754.649    373.767  754.649    373.767  0.0000     0.0000   31.973  9.8347  ?       ?       0.000000       9.834675  
1 1 1 -22 5   28 o 21.546  9.7307  118.018    483.269  118.018    483.269  0.0000     0.0000   21.546  9.7307  ?       ?       0.000000       9.730703  
1 1 1 -22 5   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 6   1  o 57.377  3.5886  1794.79    221.891  1958.88    296.332  1585.37    334.776  59.829  4.6084  53.593  5.8630  6.236095       7.457360  
1 1 1 -22 6   2  o 21.596  7.0729  245.253    190.781  287.823    256.249  192.310    285.769  23.911  8.2028  22.332  8.5127  1.579044       11.82166  
1 1 1 -22 6   3  o 82.335  3.1587  3679.15    281.681  3536.03    395.285  3826.82    401.503  80.496  4.5525  83.766  4.4413  -3.269371      6.360006  
1 1 1 -22 6   4  o 174.073 3.6361  16458.09   685.547  16026.40   966.968  16894.36   972.073  171.511 5.2053  176.116 5.0960  -4.605042      7.284563  
1 1 1 -22 6   5  o 124.206 3.2419  8374.81    436.124  8246.75    611.958  8506.99    621.703  123.103 4.5897  125.030 4.5909  -1.927094      6.491670  
1 1 1 -22 6   6  o 118.186 3.7311  7589.82    477.606  7683.08    793.440  7536.83    598.101  118.400 6.2088  117.657 4.6934  0.7428055      7.783140  
1 1 1 -22 6   7  o 74.166  3.2584  2986.97    261.745  3176.86    365.211  2786.41    375.322  76.270  4.4402  71.347  4.8863  4.923332       6.602373  
1 1 1 -22 6   8  o 39.178  4.9624  849.950    205.855  820.908    282.607  882.777    300.458  38.076  7.1143  39.484  7.2945  -1.407730      10.18931  
1 1 1 -22 6   9  o 191.019 3.8202  19847.67   790.369  19135.91   1111.74  20575.05   1123.86  187.126 5.4853  194.078 5.3464  -6.952774      7.659815  
1 1 1 -22 6   10 o 57.163  3.8663  1786.48    237.968  1572.05    332.409  2011.92    340.824  53.262  5.8591  60.449  5.2580  -7.187344      7.872431  
1 1 1 -22 6   11 o 99.687  3.1480  5401.62    339.898  5442.58    397.278  5289.74    656.563  99.998  3.6680  97.936  6.2219  2.061996       7.222632  
1 1 1 -22 6   12 o 55.828  3.7660  1705.38    226.386  1689.59    265.985  1746.90    431.239  55.452  4.4665  55.734  7.3209  -0.2823029     8.575845  
1 1 1 -22 6   13 o 110.499 3.1188  6641.89    373.270  6829.98    434.837  6115.14    727.679  111.973 3.5854  105.088 6.4241  6.885315       7.356892  
1 1 1 -22 6   14 o 132.415 3.2745  9546.50    469.626  9701.43    547.037  9112.34    915.752  133.365 3.7871  128.155 6.6200  5.209793       7.626707  
1 1 1 -22 6   15 o 63.956  3.1870  2227.64    220.764  2310.78    295.222  2122.18    332.509  64.868  4.2250  61.979  4.9956  2.888611       6.542686  
1 1 1 -22 6   16 o 53.911  3.7095  1594.84    215.285  1644.63    304.358  1544.99    304.560  54.406  5.2294  52.669  5.4161  1.737556       7.528603  
1 1 1 -22 6   17 o 55.531  3.7698  1693.91    225.393  1383.40    309.409  2044.97    329.000  49.635  5.8690  60.719  5.0484  -11.08453      7.741546  
1 1 1 -22 6   18 o 21.095  7.1255  236.537    193.317  161.712    251.824  343.908    301.659  20.455  7.9404  25.494  8.8912  -5.038368      11.92071  
1 1 1 -22 6   19 f 17.700  7.2290  77.616     219.427  -211.5833  318.970  337.433    302.333  16.628  7.6592  25.247  8.8948  -8.618536      11.73806  
1 1 1 -22 6   20 o 73.168  3.6833  2945.84    290.967  2973.78    414.495  2918.69    408.548  72.913  5.2845  72.243  5.2574  0.6702271      7.454239  
1 1 1 -22 6   21 o 62.548  4.0522  2166.83    273.043  1934.80    388.363  2393.63    383.956  58.196  6.2598  65.164  5.4913  -6.967987      8.326989  
1 1 1 -22 6   22 o 35.785  8.3605  780.501    318.205  780.501    318.205  0.0000     0.0000   35.785  8.3605  ?       ?       0.000000       8.360549  
1 1 1 -22 6   23 o 29.536  9.0353  541.143    315.971  541.143    315.971  0.0000     0.0000   29.536  9.0353  ?       ?       0.000000       9.035284  
1 1 1 -22 6   24 o 20.312  8.6773  84.918     338.127  84.918     338.127  0.0000     0.0000   20.312  8.6773  ?       ?       0.000000       8.677348  
1 1 1 -22 6   25 o 30.666  10.226  661.021    398.104  661.021    398.104  0.0000     0.0000   30.666  10.226  ?       ?       0.000000       10.22556  
1 1 1 -22 6   26 o 25.158  9.5314  404.177    356.880  404.177    356.880  0.0000     0.0000   25.158  9.5314  ?       ?       0.000000       9.531366  
1 1 1 -22 6   27 o 28.153  1.8113  435.397    54.938   441.945    55.263   -116.0266  507.128  28.366  1.8082  20.231  9.4346  8.134640       9.606292  
1 1 1 -22 6   28 o 23.810  11.109  137.922    704.501  137.922    704.501  0.0000     0.0000   23.810  11.109  ?       ?       0.000000       11.10920  
1 1 1 -22 6   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 7   1  o 184.859 3.7283  18563.35   746.491  17900.29   1049.72  19241.73   1061.78  181.235 5.3476  187.932 5.2163  -6.696823      7.470426  
1 1 1 -22 7   2  o 164.277 3.5401  14654.95   629.896  15127.50   886.882  14173.95   894.786  166.694 4.9122  161.318 5.1211  5.376038       7.096186  
1 1 1 -22 7   3  o 181.381 3.6913  17870.07   725.179  17540.26   1017.64  18210.35   1033.67  179.428 5.2364  182.827 5.2200  -3.398682      7.393805  
1 1 1 -22 7   4  o 229.438 4.3548  28629.98   1082.19  30047.23   1526.14  27196.61   1534.79  234.598 6.0062  223.086 6.3519  11.51205       8.741923  
1 1 1 -22 7   5  o 134.491 3.2940  9820.24    479.832  9749.25    665.712  9897.00    692.234  133.844 4.5922  134.833 4.7401  -0.9887695     6.599717  
1 1 1 -22 7   6  o 81.641  3.1930  3618.62    282.342  3563.73    386.742  3681.27    413.148  80.806  4.4358  82.099  4.6655  -1.292374      6.437604  
1 1 1 -22 7   7  o 145.555 3.3352  11506.56   525.805  11035.61   733.908  12003.23   753.688  142.333 4.7607  148.455 4.6874  -6.122162      6.680955  
1 1 1 -22 7   8  o 151.986 3.4695  12551.58   571.140  12515.95   807.845  12587.19   807.583  151.514 4.9227  151.947 4.9071  -0.4337921     6.950746  
1 1 1 -22 7   9  o 31.496  6.2370  562.153    205.237  496.866    293.431  624.683    287.169  29.645  8.6213  32.991  8.0969  -3.346329      11.82736  
1 1 1 -22 7   10 o 37.998  4.6110  798.863    185.882  888.772    238.708  660.358    296.277  39.907  5.6833  33.878  8.1694  6.028862       9.951814  
1 1 1 -22 7   11 o 107.747 3.1069  6310.06    362.576  6359.80    420.086  6164.80    717.921  108.105 3.5877  105.725 6.2980  2.380646       7.248212  
1 1 1 -22 7   12 o 53.919  3.7638  1591.32    218.426  1386.76    254.206  2168.43    426.983  50.152  4.7358  62.435  6.4048  -12.28238      7.965570  
1 1 1 -22 7   13 o 13.529  6.0050  -59.5695   175.625  -54.5021   206.057  -73.0255   335.779  14.888  6.5613  19.092  8.3963  -4.203916      10.65592  
1 1 1 -22 7   14 o 34.982  5.7048  690.100    208.698  685.166    254.262  700.288    365.359  34.550  7.0336  34.614  9.4707  -0.6355667E-01 11.79688  
1 1 1 -22 7   15 o 95.353  3.1804  4951.71    328.461  5052.44    385.849  4686.60    625.963  96.222  3.7023  91.801  6.3342  4.421104       7.336873  
1 1 1 -22 7   16 o 16.747  6.5610  96.266     173.141  -42.2166   242.285  240.793    247.516  16.389  7.1717  22.275  8.0266  -5.886089      10.76378  
1 1 1 -22 7   17 o 62.708  3.7312  2157.48    252.278  2069.48    347.064  2256.07    367.349  61.008  5.3052  63.696  5.3749  -2.688354      7.552096  
1 1 1 -22 7   18 o 35.452  5.5517  712.234    206.181  796.949    271.015  595.835    317.680  37.118  6.9979  31.723  8.8895  5.394506       11.31346  
1 1 1 -22 7   19 o 54.416  4.0715  1635.72    238.226  1658.82    321.359  1607.54    354.944  54.356  5.5357  53.236  6.2764  1.119881       8.368814  
1 1 1 -22 7   20 o 76.521  4.2025  3236.54    346.971  2765.07    423.744  4195.78    604.427  70.143  5.6249  85.973  6.5401  -15.82990      8.626253  
1 1 1 -22 7   21 o 20.105  8.2669  108.548    289.397  108.548    289.397  0.0000     0.0000   20.105  8.2669  ?       ?       0.000000       8.266865  
1 1 1 -22 7   22 o 62.717  5.4885  2225.89    369.078  2225.89    369.078  0.0000     0.0000   62.717  5.4885  ?       ?       0.000000       5.488529  
1 1 1 -22 7   23 o 37.641  8.7910  884.099    351.916  884.099    351.916  0.0000     0.0000   37.641  8.7910  ?       ?       0.000000       8.791048  
1 1 1 -22 7   24 o 27.048  9.5296  451.580    347.023  451.580    347.023  0.0000     0.0000   27.048  9.5296  ?       ?       0.000000       9.529601  
1 1 1 -22 7   25 o 23.395  9.2618  296.126    348.363  296.126    348.363  0.0000     0.0000   23.395  9.2618  ?       ?       0.000000       9.261811  
1 1 1 -22 7   26 o 18.565  7.7151  122.955    255.744  -9.1179    388.458  223.993    339.766  19.462  8.7627  21.787  8.9579  -2.324986      12.53112  
1 1 1 -22 7   27 o 23.506  9.0932  346.126    329.363  452.223    432.622  199.848    507.978  25.845  10.293  23.168  10.252  2.677124       14.52718  
1 1 1 -22 7   28 o 32.306  13.769  1171.42    847.808  1171.42    847.808  0.0000     0.0000   32.306  13.769  ?       ?       0.000000       13.76914  
1 1 1 -22 7   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 8   1  o 109.673 3.0727  6527.64    364.995  6288.40    505.044  6789.21    528.090  107.532 4.3363  111.729 4.3639  -4.196953      6.151997  
1 1 1 -22 8   2  o 164.877 4.0512  14775.41   723.452  14668.93   880.461  14996.71   1269.31  164.135 4.9527  165.492 7.0814  -1.356674      8.641491  
1 1 1 -22 8   3  o 163.474 3.4988  14511.89   619.490  14390.23   866.540  14639.05   885.966  162.571 4.9212  163.958 4.9890  -1.387268      7.007762  
1 1 1 -22 8   4  o 207.431 4.0327  23388.01   906.016  23343.77   1274.21  23433.24   1288.51  206.857 5.6872  207.239 5.7405  -0.3817902     8.080684  
1 1 1 -22 8   5  o 194.719 3.8507  20605.19   812.113  20289.24   1140.21  20930.49   1156.97  192.882 5.4579  195.907 5.4526  -3.025711      7.714867  
1 1 1 -22 8   6  o 132.823 3.2796  9579.49    471.811  9083.62    655.087  10113.95   680.099  129.162 4.6827  136.302 4.6068  -7.140289      6.568863  
1 1 1 -22 8   7  o 115.119 3.2499  7196.78    405.220  7135.14    573.340  7258.31    572.795  114.464 4.6246  115.453 4.5806  -0.9898148     6.509137  
1 1 1 -22 8   8  o 113.717 3.1447  7022.69    387.324  7033.49    535.199  7010.81    561.246  113.661 4.3475  113.446 4.5677  0.2145844      6.305858  
1 1 1 -22 8   9  f 120.137 3.2185  7841.29    418.800  8296.24    601.230  7412.49    583.703  123.385 4.4989  116.608 4.6216  6.776833       6.449759  
1 1 1 -22 8   10 o 80.018  3.0994  3478.90    268.615  3767.44    316.094  2728.96    509.592  83.232  3.5063  70.122  6.7948  13.10987       7.646192  
1 1 1 -22 8   11 o 170.912 3.7588  15904.56   695.816  15901.29   769.698  15919.17   1627.60  170.792 4.1609  168.683 8.9405  2.108765       9.861270  
1 1 1 -22 8   12 o 23.038  6.9696  295.734    188.750  155.955    223.225  646.351    353.540  19.795  7.5289  33.441  9.3803  -13.64646      12.02805  
1 1 1 -22 8   13 o 44.369  4.4044  1085.98    208.863  1047.64    244.908  1188.26    399.967  43.387  5.3234  45.433  8.4387  -2.046143      9.977447  
1 1 1 -22 8   14 o 50.183  4.1535  1384.86    223.724  1003.85    266.851  2286.24    410.446  42.275  5.9959  64.134  5.9776  -21.85884      8.466591  
1 1 1 -22 8   15 o 122.634 3.2806  8193.63    435.746  7863.42    509.831  9088.66    839.361  119.983 3.9232  128.240 6.0430  -8.257858      7.204813  
1 1 1 -22 8   16 o 72.012  3.3378  2828.22    260.334  2726.49    371.361  2926.52    365.054  70.254  4.9113  72.870  4.6495  -2.616051      6.763019  
1 1 1 -22 8   17 f 55.948  3.8384  1720.34    231.191  1584.88    310.364  1889.20    346.525  53.288  5.4542  58.191  5.5659  -4.902821      7.792815  
1 1 1 -22 8   18 o 43.042  4.7075  1032.04    215.884  999.460    285.019  1075.89    330.648  41.834  6.5015  43.152  7.3372  -1.317814      9.803290  
1 1 1 -22 8   19 o 64.652  4.9289  2324.85    342.543  2324.85    342.543  0.0000     0.0000   64.652  4.9289  ?       ?       0.000000       4.928898  
1 1 1 -22 8   20 o 93.192  4.6232  4804.79    466.650  4804.79    466.650  0.0000     0.0000   93.192  4.6232  ?       ?       0.000000       4.623216  
1 1 1 -22 8   21 o 78.273  4.9240  3422.67    415.319  3422.67    415.319  0.0000     0.0000   78.273  4.9240  ?       ?       0.000000       4.924037  
1 1 1 -22 8   22 f 19.011  8.0989  42.904     293.068  42.904     293.068  0.0000     0.0000   19.011  8.0989  ?       ?       0.000000       8.098882  
1 1 1 -22 8   23 o 41.825  8.9409  1091.33    392.756  1091.33    392.756  0.0000     0.0000   41.825  8.9409  ?       ?       0.000000       8.940880  
1 1 1 -22 8   24 o 41.339  5.9212  1003.81    257.545  857.709    364.159  1150.02    364.290  36.247  9.2462  42.926  8.1330  -6.679089      12.31412  
1 1 1 -22 8   25 o 34.498  7.0757  744.065    255.514  512.914    359.011  981.341    363.737  27.652  9.6965  38.330  8.9277  -10.67738      13.18052  
1 1 1 -22 8   26 o 21.234  7.9493  258.622    246.611  513.355    355.994  23.590     341.951  27.321  9.6492  18.899  8.3845  8.421902       12.78302  
1 1 1 -22 8   27 o 32.417  10.503  808.943    421.194  808.943    421.194  0.0000     0.0000   32.417  10.503  ?       ?       0.000000       10.50332  
1 1 1 -22 8   28 f 20.718  10.103  -461.2133  737.129  -461.2133  737.129  0.0000     0.0000   20.718  10.103  ?       ?       0.000000       10.10331  
1 1 1 -22 8   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 9   1  o 106.320 3.0665  6134.77    353.122  6168.88    487.940  6097.25    511.684  106.513 4.2296  105.868 4.4624  0.6444168      6.148322  
1 1 1 -22 9   2  o 187.379 3.7776  19075.50   766.670  18991.48   1076.45  19162.00   1092.19  186.671 5.3241  187.495 5.3782  -0.8240204     7.567765  
1 1 1 -22 9   3  o 196.376 3.8880  20955.67   826.956  20074.30   1163.92  21854.12   1175.14  191.850 5.6013  200.220 5.4189  -8.369553      7.793567  
1 1 1 -22 9   4  o 286.797 5.1275  44814.62   1592.75  44054.92   2247.37  45581.28   2257.65  283.468 7.3198  288.381 7.2280  -4.912811      10.28708  
1 1 1 -22 9   5  f 150.150 3.4349  12243.80   558.618  12521.08   781.063  11953.45   799.262  151.645 4.7554  148.129 4.9817  3.516006       6.887028  
1 1 1 -22 9   6  o 145.262 3.3592  11459.55   528.509  11660.81   733.662  11242.45   761.992  146.346 4.6285  143.651 4.8975  2.695114       6.738584  
1 1 1 -22 9   7  o 115.554 3.1752  7250.56    397.405  7244.67    557.854  7256.62    566.273  115.357 4.4648  115.443 4.5288  -0.8629608E-01 6.359648  
1 1 1 -22 9   8  o 59.016  3.6313  1900.34    230.984  2149.86    310.177  1589.71    346.087  62.651  4.6032  53.566  6.0725  9.085064       7.620072  
1 1 1 -22 9   9  o 79.839  3.3944  3464.52    293.531  3637.46    413.900  3289.53    416.342  81.539  4.7066  77.479  4.9878  4.060745       6.857888  
1 1 1 -22 9   10 o 48.370  3.8790  1281.70    201.509  1362.18    239.203  1084.97    373.978  49.783  4.4844  43.581  8.2243  6.201302       9.367447  
1 1 1 -22 9   11 o 66.216  3.5432  2392.65    253.192  2432.17    302.226  2299.62    463.689  66.659  4.2076  64.264  6.7632  2.394539       7.965271  
1 1 1 -22 9   12 o 96.139  3.1299  5026.25    325.915  5117.62    378.757  4765.59    639.710  96.943  3.6072  92.794  6.4041  4.149353       7.350163  
1 1 1 -22 9   13 o 95.803  3.2098  4994.43    333.064  5031.05    390.779  4897.17    636.783  96.068  3.7556  94.029  6.2888  2.039490       7.324902  
1 1 1 -22 9   14 o 110.680 3.1421  6667.42    376.671  6723.41    452.364  6540.82    680.200  111.024 3.7618  108.829 5.7915  2.195320       6.905975  
1 1 1 -22 9   15 o 68.936  3.5501  2598.63    264.168  2399.30    314.911  3072.01    485.303  66.053  4.4274  74.311  6.0829  -8.258087      7.523535  
1 1 1 -22 9   16 o 83.029  3.2184  3758.11    289.428  3988.12    409.198  3527.84    409.428  85.165  4.4516  80.002  4.7463  5.162781       6.507174  
1 1 1 -22 9   17 o 79.320  3.7215  3440.26    319.721  3296.59    380.934  3782.67    588.098  77.329  4.5684  82.060  6.6747  -4.730644      8.088377  
1 1 1 -22 9   18 o 83.668  4.4570  3860.50    402.441  3860.50    402.441  0.0000     0.0000   83.668  4.4570  ?       ?       0.000000       4.456982  
1 1 1 -22 9   19 o 61.375  5.0693  2099.87    333.973  2099.87    333.973  0.0000     0.0000   61.375  5.0693  ?       ?       0.000000       5.069337  
1 1 1 -22 9   20 o 37.162  7.8257  819.919    305.032  819.919    305.032  0.0000     0.0000   37.162  7.8257  ?       ?       0.000000       7.825685  
1 1 1 -22 9   21 o 114.904 4.6473  7328.80    578.370  7328.80    578.370  0.0000     0.0000   114.904 4.6473  ?       ?       0.000000       4.647299  
1 1 1 -22 9   22 o 94.452  3.1215  4891.07    319.333  4881.36    415.910  4905.00    498.414  93.948  4.0873  93.615  4.9330  0.3331375      6.406306  
1 1 1 -22 9   23 o 59.212  4.3525  1962.90    277.182  2241.69    392.618  1685.86    391.376  62.491  5.8695  53.542  6.9100  8.948513       9.066413  
1 1 1 -22 9   24 o 16.331  7.2796  -47.4759   260.879  -550.1987  371.018  444.128    366.892  14.789  7.2021  26.955  9.7633  -12.16678      12.13232  
1 1 1 -22 9   25 o 16.839  7.2593  39.200     240.653  163.083    339.434  -86.0066   341.242  21.025  8.8243  17.736  8.0757  3.289349       11.96177  
1 1 1 -22 9   26 o 16.247  7.1097  15.092     238.112  156.595    392.269  -67.4659   299.628  21.547  9.2785  16.753  7.6047  4.793161       11.99672  
1 1 1 -22 9   27 o 32.404  10.589  813.652    427.681  813.652    427.681  0.0000     0.0000   32.404  10.589  ?       ?       0.000000       10.58877  
1 1 1 -22 9   28 o 37.635  14.194  1593.00    789.205  1593.00    789.205  0.0000     0.0000   37.635  14.194  ?       ?       0.000000       14.19414  
1 1 1 -22 9   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 10  1  o 137.667 3.2412  10288.54   483.293  10046.39   674.271  10544.38   693.076  135.874 4.5817  139.198 4.5970  -3.324570      6.490369  
1 1 1 -22 10  2  o 218.718 4.1585  26009.00   985.131  25126.77   1386.69  26907.94   1399.77  214.529 5.9679  222.047 5.8203  -7.517380      8.336161  
1 1 1 -22 10  3  o 275.029 4.9236  41191.87   1466.65  38821.87   2069.09  43585.23   2079.27  266.171 7.1771  282.196 6.8028  -16.02481      9.888851  
1 1 1 -22 10  4  o 253.938 4.6437  35098.54   1277.21  33998.21   1799.95  36214.40   1812.61  249.261 6.6671  257.321 6.5037  -8.060165      9.313837  
1 1 1 -22 10  5  o 134.755 3.2657  9859.37    476.644  9890.35    659.307  9825.45    689.883  134.807 4.5155  134.331 4.7417  0.4770050      6.547742  
1 1 1 -22 10  6  o 92.170  3.2100  4612.70    320.456  4351.14    435.231  4922.38    473.579  89.292  4.5149  95.083  4.5985  -5.790939      6.444442  
1 1 1 -22 10  7  o 253.028 4.5801  34867.21   1255.21  34902.31   1777.07  34832.26   1773.19  252.440 6.4994  252.190 6.4917  0.2500763      9.186121  
1 1 1 -22 10  8  o 94.355  3.2226  4835.94    329.339  4768.17    457.921  4908.55    474.007  93.556  4.5191  94.912  4.6110  -1.355705      6.456268  
1 1 1 -22 10  9  o 145.550 3.3352  11513.37   525.778  11645.12   611.422  11139.40   1030.09  146.293 3.8588  142.412 6.6782  3.880981       7.712866  
1 1 1 -22 10  10 o 70.840  3.3795  2728.52    259.300  2896.71    310.480  2340.73    471.445  72.832  3.9507  64.881  6.8103  7.950844       7.873279  
1 1 1 -22 10  11 f 88.200  3.0853  4228.48    294.735  4288.95    345.798  4067.86    563.546  88.769  3.5966  85.841  6.1010  2.928238       7.082192  
1 1 1 -22 10  12 o 70.272  3.3982  2687.46    258.641  2827.73    303.682  2316.99    493.540  71.920  3.9132  64.324  7.2080  7.596512       8.201745  
1 1 1 -22 10  13 o 31.792  6.2442  575.905    207.344  648.090    249.454  414.574    372.929  33.597  7.0785  28.325  9.8854  5.272118       12.15843  
1 1 1 -22 10  14 o 67.796  3.5355  2511.77    258.715  2444.26    305.756  2681.96    485.440  66.742  4.2518  69.330  6.5420  -2.587723      7.802235  
1 1 1 -22 10  15 o 81.763  3.2543  3642.22    288.192  3455.65    338.206  4136.82    550.672  79.533  3.9261  86.351  5.9237  -6.817741      7.106636  
1 1 1 -22 10  16 o 51.956  5.3262  1503.21    295.493  1503.21    295.493  0.0000     0.0000   51.956  5.3262  ?       ?       0.000000       5.326239  
1 1 1 -22 10  17 o 14.915  6.7602  -122.3795  235.706  -122.3795  235.706  0.0000     0.0000   14.915  6.7602  ?       ?       0.000000       6.760200  
1 1 1 -22 10  18 o 24.254  8.3969  311.827    268.814  311.827    268.814  0.0000     0.0000   24.254  8.3969  ?       ?       0.000000       8.396871  
1 1 1 -22 10  19 o 96.560  4.4329  5138.40    463.613  5138.40    463.613  0.0000     0.0000   96.560  4.4329  ?       ?       0.000000       4.432917  
1 1 1 -22 10  20 o 65.621  5.1978  2409.92    366.405  2409.92    366.405  0.0000     0.0000   65.621  5.1978  ?       ?       0.000000       5.197755  
1 1 1 -22 10  21 o 58.525  4.1523  1901.03    261.498  2117.57    355.277  1645.03    386.296  61.283  5.4080  53.315  6.8478  7.967251       8.725772  
1 1 1 -22 10  22 o 28.878  7.8349  503.606    251.288  84.483     370.165  861.851    342.227  21.549  9.1385  37.513  8.6058  -15.96353      12.55274  
1 1 1 -22 10  23 o 38.701  6.1696  875.548    249.929  912.702    352.918  838.167    353.991  38.261  8.7115  36.484  9.0113  1.777145       12.53375  
1 1 1 -22 10  24 o 48.743  4.7500  1355.14    247.583  1575.07    374.253  1183.98    330.149  51.219  6.9238  44.178  7.1436  7.040520       9.948351  
1 1 1 -22 10  25 o 14.285  6.4493  -64.5828   212.105  218.962    314.725  -300.5344  287.099  21.543  8.7096  14.040  6.7096  7.502890       10.99433  
1 1 1 -22 10  26 o 14.329  6.6322  -131.9941  243.447  -176.0914  423.675  -110.2574  297.457  18.489  8.6226  16.180  7.4319  2.308643       11.38343  
1 1 1 -22 10  27 o 34.386  10.869  932.035    453.139  932.035    453.139  0.0000     0.0000   34.386  10.869  ?       ?       0.000000       10.86864  
1 1 1 -22 10  28 o 25.690  12.185  264.628    911.578  264.628    911.578  0.0000     0.0000   25.690  12.185  ?       ?       0.000000       12.18531  
1 1 1 -22 10  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 11  1  o 60.642  3.4671  2003.61    226.779  2007.86    300.891  1998.02    345.053  60.565  4.6218  60.308  5.3377  0.2566299      7.060570  
1 1 1 -22 11  2  o 77.390  3.2057  3251.25    268.704  3430.61    360.514  3027.08    403.044  79.317  4.2116  74.378  5.0327  4.939659       6.562435  
1 1 1 -22 11  3  o 154.120 3.4252  12898.79   571.763  13099.87   797.427  12686.04   820.245  155.122 4.7462  152.615 4.9622  2.507065       6.866619  
1 1 1 -22 11  4  o 68.239  3.4435  2535.28    253.685  1867.74    340.766  3365.18    379.954  58.270  5.4632  78.514  4.4866  -20.24438      7.069380  
1 1 1 -22 11  5  o 126.230 3.2204  8651.11    440.295  8486.54    609.944  8830.17    636.231  124.870 4.5098  127.359 4.6123  -2.488426      6.450713  
1 1 1 -22 11  6  o 109.921 3.1844  6560.50    379.117  6645.27    517.094  6461.98    557.485  110.508 4.3202  108.922 4.7255  1.585915       6.402715  
1 1 1 -22 11  7  o 95.632  3.1602  4966.21    327.333  4712.51    472.260  5200.77    454.112  92.886  4.7096  97.752  4.2891  -4.866432      6.369974  
1 1 1 -22 11  8  o 85.402  3.2238  3961.94    298.195  3962.87    408.215  3960.88    436.643  85.181  4.4400  85.107  4.7559  0.7410431E-01  6.506279  
1 1 1 -22 11  9  o 141.061 3.3108  10814.21   505.842  11247.25   591.356  9633.25    976.567  143.778 3.7974  132.205 6.8435  11.57310       7.826441  
1 1 1 -22 11  10 o 225.928 4.3014  27824.19   1052.56  27742.21   1218.81  28064.71   2087.68  225.339 4.9938  224.732 8.5769  0.6078033      9.924745  
1 1 1 -22 11  11 o 94.644  3.0735  4869.03    315.062  4749.71    368.541  5193.02    607.282  93.407  3.6428  97.115  5.7999  -3.708000      6.849047  
1 1 1 -22 11  12 o 30.051  6.1828  514.713    194.525  685.653    229.173  74.109     367.932  34.770  6.3182  22.131  9.2303  12.63820       11.18559  
1 1 1 -22 11  13 o 34.697  5.4868  676.767    199.342  649.912    234.198  747.386    379.776  33.732  6.6467  35.750  9.6036  -2.018867      11.67937  
1 1 1 -22 11  14 o 66.098  3.5732  2388.43    254.857  2517.28    300.048  2054.70    482.895  67.763  4.1076  60.285  7.5620  7.477573       8.605564  
1 1 1 -22 11  15 o 52.716  5.2298  1542.85    294.663  1542.85    294.663  0.0000     0.0000   52.716  5.2298  ?       ?       0.000000       5.229754  
1 1 1 -22 11  16 o 91.968  4.3223  4636.02    430.544  4636.02    430.544  0.0000     0.0000   91.968  4.3223  ?       ?       0.000000       4.322267  
1 1 1 -22 11  17 o 28.643  8.3289  477.081    273.877  477.081    273.877  0.0000     0.0000   28.643  8.3289  ?       ?       0.000000       8.328916  
1 1 1 -22 11  18 o 25.226  8.0334  359.476    247.200  359.476    247.200  0.0000     0.0000   25.226  8.0334  ?       ?       0.000000       8.033351  
1 1 1 -22 11  19 o 76.865  3.4861  3234.87    290.229  2967.11    398.832  3536.25    423.139  73.008  5.0753  79.795  4.9200  -6.786766      7.068548  
1 1 1 -22 11  20 o 34.389  6.5196  687.742    233.948  917.156    325.496  442.580    336.483  39.305  7.9195  27.837  9.4007  11.46859       12.29196  
1 1 1 -22 11  21 o 82.468  3.6094  3739.29    322.392  4051.55    460.572  3439.30    451.427  85.112  5.0183  78.220  5.3608  6.892372       7.343135  
1 1 1 -22 11  22 o 34.585  6.5890  703.020    237.801  501.788    342.082  891.204    330.805  28.899  9.4713  38.329  8.2154  -9.429693      12.53790  
1 1 1 -22 11  23 o 16.844  1.7994  156.156    32.321   441.215    330.437  153.402    32.477   27.166  9.3151  16.689  1.8265  10.47614       9.492495  
1 1 1 -22 11  24 o 18.788  1.8301  194.227    36.768   194.617    37.069   170.501    289.034  18.804  1.8438  20.614  8.3421  -1.809729      8.543447  
1 1 1 -22 11  25 o 54.012  4.7164  1679.83    273.144  1599.51    437.415  1731.17    349.707  49.682  8.4300  53.788  6.1112  -4.105465      10.41212  
1 1 1 -22 11  26 o 30.362  7.6680  601.840    252.223  543.372    415.869  635.861    317.227  27.816  10.341  30.334  9.0038  -2.518017      13.71116  
1 1 1 -22 11  27 o 19.375  8.8050  -11.8458   403.187  -11.8458   403.187  0.0000     0.0000   19.375  8.8050  ?       ?       0.000000       8.804957  
1 1 1 -22 11  28 o 23.051  10.967  -24.7291   749.486  -24.7291   749.486  0.0000     0.0000   23.051  10.967  ?       ?       0.000000       10.96715  
1 1 1 -22 11  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 12  1  o 199.874 3.9266  21714.59   850.050  21054.26   1198.09  22383.94   1206.25  196.431 5.6313  202.574 5.4977  -6.143555      7.870008  
1 1 1 -22 12  2  o 125.732 3.1949  8581.83    435.081  8803.01    606.376  8347.13    624.625  127.204 4.4012  123.833 4.6571  3.371353       6.407724  
1 1 1 -22 12  3  o 63.589  3.4561  2202.48    237.140  2091.16    311.065  2356.96    366.427  61.805  4.6816  65.558  5.2033  -3.753422      6.999380  
1 1 1 -22 12  4  o 187.734 3.7914  19153.10   770.931  19227.16   1080.84  19076.40   1099.93  187.782 5.3142  187.016 5.4302  0.7657166      7.597875  
1 1 1 -22 12  5  o 166.663 3.4872  15088.26   629.487  14841.72   878.296  15348.66   902.661  165.048 4.9131  167.833 4.9657  -2.784210      6.985473  
1 1 1 -22 12  6  o 118.862 3.1299  7670.81    402.942  7539.27    558.736  7813.37    581.648  117.694 4.3831  119.801 4.4826  -2.106560      6.269395  
1 1 1 -22 12  7  o 75.796  3.3177  3120.75    272.371  2977.67    369.552  3290.89    402.998  73.786  4.6479  77.557  4.8213  -3.770248      6.696866  
1 1 1 -22 12  8  o 44.272  3.9413  1074.73    187.012  1317.16    239.309  694.443    299.723  48.955  4.5659  34.790  8.1048  14.16542       9.302428  
1 1 1 -22 12  9  o 91.079  3.1327  4506.88    309.030  4707.92    364.506  3993.04    582.740  93.038  3.6172  85.072  6.3706  7.965958       7.325944  
1 1 1 -22 12  10 o 41.286  4.4059  939.887    193.975  919.871    229.625  989.760    362.459  40.667  5.3425  41.533  8.3469  -0.8663216     9.910288  
1 1 1 -22 12  11 o 37.701  1.6361  770.568    66.807   532.234    222.126  794.271    70.051   30.476  6.8910  38.275  1.6898  -7.799618      7.095197  
1 1 1 -22 12  12 o 19.449  6.8671  184.044    180.294  290.416    209.338  -121.5014  354.791  23.104  7.3963  19.063  8.4940  4.040882       11.26291  
1 1 1 -22 12  13 o 98.404  4.3880  5292.55    467.682  5292.55    467.682  0.0000     0.0000   98.404  4.3880  ?       ?       0.000000       4.388022  
1 1 1 -22 12  14 o 75.072  4.8538  3101.85    392.550  3101.85    392.550  0.0000     0.0000   75.072  4.8538  ?       ?       0.000000       4.853774  
1 1 1 -22 12  15 o 75.332  4.6336  3122.82    376.229  3122.82    376.229  0.0000     0.0000   75.332  4.6336  ?       ?       0.000000       4.633561  
1 1 1 -22 12  16 f 32.196  7.4869  603.849    256.142  603.849    256.142  0.0000     0.0000   32.196  7.4869  ?       ?       0.000000       7.486936  
1 1 1 -22 12  17 o 78.680  4.6289  3415.09    392.727  3415.09    392.727  0.0000     0.0000   78.680  4.6289  ?       ?       0.000000       4.628864  
1 1 1 -22 12  18 o 26.974  6.6443  423.625    192.845  333.557    249.630  556.935    303.698  24.549  8.0930  30.692  8.7239  -6.142685      11.89969  
1 1 1 -22 12  19 o 28.520  6.9469  477.330    212.605  451.143    281.833  511.911    323.867  27.795  8.5384  29.500  9.1681  -1.704855      12.52824  
1 1 1 -22 12  20 o 14.707  6.5890  -79.5707   216.663  -276.3185  299.936  135.123    313.316  15.253  7.1592  21.243  8.6528  -5.989928      11.23054  
1 1 1 -22 12  21 o 75.896  3.5240  3165.15    289.683  3374.96    423.917  2981.35    396.777  77.624  5.0700  72.948  5.0530  4.676788       7.158024  
1 1 1 -22 12  22 o 41.954  5.2759  1001.12    234.436  1214.47    349.060  825.805    316.423  45.333  7.3616  36.888  8.1382  8.445599       10.97376  
1 1 1 -22 12  23 o 29.790  7.5744  542.509    244.936  669.460    371.888  445.247    325.510  32.350  9.7821  27.208  9.2459  5.141462       13.46017  
1 1 1 -22 12  24 o 56.442  4.4553  1804.87    270.153  2112.64    428.861  1602.40    347.844  59.453  6.7813  52.043  6.2993  7.410538       9.255642  
1 1 1 -22 12  25 o 46.520  5.3513  1270.66    264.716  1615.42    436.554  1070.18    332.902  49.974  8.3608  40.953  7.7899  9.020695       11.42737  
1 1 1 -22 12  26 o 53.949  4.8055  1690.17    277.855  2131.89    447.430  1412.88    354.494  58.296  7.2423  47.475  7.1130  10.82059       10.15118  
1 1 1 -22 12  27 o 27.703  10.344  569.318    417.012  569.318    417.012  0.0000     0.0000   27.703  10.344  ?       ?       0.000000       10.34367  
1 1 1 -22 12  28 o 27.283  12.304  585.110    769.519  585.110    769.519  0.0000     0.0000   27.283  12.304  ?       ?       0.000000       12.30412  
1 1 1 -22 12  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 13  1  o 158.847 3.9966  13717.76   687.607  12782.40   1172.86  14207.61   848.773  152.701 7.0914  161.510 4.8520  -8.808624      8.592453  
1 1 1 -22 13  2  o 145.173 3.3539  11444.28   527.359  11260.76   734.159  11639.91   758.008  143.814 4.7132  146.203 4.7868  -2.388809      6.717750  
1 1 1 -22 13  3  f 195.285 3.8683  20727.68   818.196  21074.02   1150.82  20373.68   1163.49  196.571 5.4053  193.238 5.5590  3.333069       7.753709  
1 1 1 -22 13  4  o 83.024  3.1540  3742.06    283.617  3646.40    378.739  3864.18    427.945  81.759  4.2919  84.110  4.7166  -2.350716      6.377055  
1 1 1 -22 13  5  o 246.958 4.5252  33201.11   1210.41  32650.64   1704.14  33761.56   1719.51  244.250 6.4417  248.391 6.3914  -4.140747      9.074464  
1 1 1 -22 13  6  f 108.298 3.0820  6367.61    361.509  5994.30    490.802  6810.32    534.487  104.948 4.3178  111.851 4.4119  -6.903427      6.173187  
1 1 1 -22 13  7  o 94.536  3.2852  4854.70    336.382  4867.63    468.395  4840.93    483.389  94.526  4.5750  94.126  4.7569  0.3999557      6.599911  
1 1 1 -22 13  8  f 218.686 4.1870  26038.25   991.730  25315.52   1146.08  28192.46   1978.66  215.413 4.9122  225.907 8.0867  -10.49493      9.461718  
1 1 1 -22 13  9  o 198.657 3.9445  21483.65   848.716  21424.28   982.785  21657.82   1683.27  198.204 4.5780  197.946 7.8512  0.2580872      9.088408  
1 1 1 -22 13  10 o 65.383  3.3905  2331.08    239.283  2096.70    282.175  2931.07    451.473  61.876  4.2359  72.905  5.7645  -11.02842      7.153479  
1 1 1 -22 13  11 f 80.692  3.2019  3540.79    279.841  3527.89    330.736  3573.30    525.034  80.477  3.7943  80.412  6.0731  0.6520844E-01  7.160971  
1 1 1 -22 13  12 f 34.113  6.8591  665.192    244.648  665.192    244.648  0.0000     0.0000   34.113  6.8591  ?       ?       0.000000       6.859128  
1 1 1 -22 13  13 o 25.390  7.7844  361.044    234.389  361.044    234.389  0.0000     0.0000   25.390  7.7844  ?       ?       0.000000       7.784402  
1 1 1 -22 13  14 o 40.708  6.6772  940.641    284.193  940.641    284.193  0.0000     0.0000   40.708  6.6772  ?       ?       0.000000       6.677193  
1 1 1 -22 13  15 o 22.427  7.8581  254.392    235.765  254.392    235.765  0.0000     0.0000   22.427  7.8581  ?       ?       0.000000       7.858149  
1 1 1 -22 13  16 o 29.218  6.6047  493.507    204.105  525.885    234.987  394.037    411.873  30.062  7.2918  28.201  10.325  1.860468       12.63994  
1 1 1 -22 13  17 o 44.425  5.1397  1102.76    242.738  1218.65    288.355  820.881    449.691  46.528  5.8513  36.922  10.654  9.605923       12.15521  
1 1 1 -22 13  18 o 37.213  5.1690  779.850    202.717  698.192    264.020  897.129    316.408  34.575  7.2804  39.154  7.7355  -4.578831      10.62270  
1 1 1 -22 13  19 o 33.014  5.8257  625.090    200.699  529.386    262.744  759.156    310.974  29.867  7.9729  35.694  8.2143  -5.826853      11.44737  
1 1 1 -22 13  20 o 43.959  4.8149  1083.47    225.498  1232.87    327.643  949.023    310.826  46.218  6.7437  40.188  7.4140  6.030369       10.02221  
1 1 1 -22 13  21 o 21.881  7.4827  261.418    213.213  294.958    318.797  234.275    286.793  24.274  9.0478  22.466  8.5364  1.808481       12.43917  
1 1 1 -22 13  22 o 23.830  7.5301  330.800    217.521  449.315    326.322  236.030    291.807  27.592  9.2580  22.494  8.5956  5.097088       12.63308  
1 1 1 -22 13  23 o 21.664  7.6114  258.187    221.262  331.874    333.589  200.305    295.656  24.827  9.2551  21.628  8.5419  3.199396       12.59443  
1 1 1 -22 13  24 o 3.1333  1.5865  -94.4384   26.837   -301.2845  422.280  -93.5995   26.892   17.909  8.4337  3.1502  1.5943  14.75882       8.583044  
1 1 1 -22 13  25 o 28.446  7.7477  524.076    245.165  528.272    404.462  521.639    308.249  27.881  10.228  27.878  8.9804  0.2220154E-02  13.61076  
1 1 1 -22 13  26 o 63.778  5.2594  2388.90    360.069  2389.55    474.252  2388.01    553.258  61.742  7.2286  59.892  8.7904  1.850498       11.38089  
1 1 1 -22 13  27 o 21.446  9.3652  161.637    411.248  161.637    411.248  0.0000     0.0000   21.446  9.3652  ?       ?       0.000000       9.365167  
1 1 1 -22 13  28 o 33.237  14.377  1392.65    950.463  1392.65    950.463  0.0000     0.0000   33.237  14.377  ?       ?       0.000000       14.37720  
1 1 1 -22 13  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 14  1  o 21.900  7.4429  243.935    210.935  243.036    325.066  244.590    277.227  24.243  9.1166  23.256  8.4771  0.9870281      12.44886  
1 1 1 -22 14  2  o 69.411  3.2885  2616.12    247.232  2748.32    327.680  2441.42    376.701  70.950  4.2842  66.714  5.2559  4.236809       6.780725  
1 1 1 -22 14  3  o 107.084 3.1370  6225.04    363.836  6216.91    499.193  6234.25    531.399  106.898 4.3115  107.015 4.5846  -0.1169434     6.293488  
1 1 1 -22 14  4  o 87.675  3.3086  4174.39    314.189  4330.84    428.248  3992.02    462.373  89.206  4.4323  85.441  5.0184  3.764404       6.695524  
1 1 1 -22 14  5  o 13.743  5.9348  -18.2085   161.410  80.303     192.267  -253.3844  297.069  17.138  6.8499  15.730  7.2967  1.408298       10.00813  
1 1 1 -22 14  6  o 79.456  3.2067  3428.52    275.969  3430.39    364.218  3426.00    422.877  79.281  4.2571  79.122  4.9596  0.1596375      6.536117  
1 1 1 -22 14  7  o 247.328 4.0251  33282.98   1078.24  32754.93   1387.85  34087.05   1712.56  244.964 5.2308  249.436 6.3390  -4.471848      8.218512  
1 1 1 -22 14  8  o 236.124 4.3903  30376.39   1122.81  30107.91   1296.85  31180.17   2243.88  234.832 5.0987  237.129 8.7367  -2.296692      10.11565  
1 1 1 -22 14  9  f 109.719 3.1484  6541.31    374.147  6615.99    438.399  6341.07    717.866  110.276 3.6704  107.335 6.2013  2.941193       7.206144  
1 1 1 -22 14  10 o 66.847  3.3412  2430.05    241.912  2493.72    285.023  2266.04    457.472  67.553  3.9122  63.813  6.7199  3.740162       7.775761  
1 1 1 -22 14  11 o 97.191  4.4234  5156.66    465.638  5156.66    465.638  0.0000     0.0000   97.191  4.4234  ?       ?       0.000000       4.423363  
1 1 1 -22 14  12 o 33.099  6.9748  628.019    242.159  628.019    242.159  0.0000     0.0000   33.099  6.9748  ?       ?       0.000000       6.974823  
1 1 1 -22 14  13 o 82.681  4.2764  3744.99    381.655  3744.99    381.655  0.0000     0.0000   82.681  4.2764  ?       ?       0.000000       4.276432  
1 1 1 -22 14  14 o 50.511  5.2270  1416.07    281.826  1416.07    281.826  0.0000     0.0000   50.511  5.2270  ?       ?       0.000000       5.227030  
1 1 1 -22 14  15 o 46.893  4.4989  1215.80    225.691  1121.79    268.931  1439.70    415.026  44.750  5.6761  50.095  7.9118  -5.344376      9.737324  
1 1 1 -22 14  16 o 19.090  7.3978  137.200    218.293  58.766     259.957  324.774    402.006  18.691  7.7739  26.776  10.123  -8.084934      12.76346  
1 1 1 -22 14  17 o 40.322  4.9284  908.604    210.755  901.826    240.228  931.257    439.150  39.961  5.7128  39.276  10.224  0.6855507      11.71164  
1 1 1 -22 14  18 o 31.645  5.4846  570.463    181.173  560.716    256.486  580.169    255.951  30.849  7.7004  31.395  7.6069  -0.5460205     10.82408  
1 1 1 -22 14  19 o 21.298  6.8655  252.104    180.131  277.504    248.710  224.080    261.239  22.991  8.0701  21.938  8.1877  1.053541       11.49634  
1 1 1 -22 14  20 o 38.501  5.4875  842.945    222.357  1014.48    327.572  696.367    302.805  41.512  7.5644  34.020  8.2931  7.491570       11.22474  
1 1 1 -22 14  21 o 44.011  4.9931  1092.56    233.802  1067.19    344.935  1114.11    317.998  42.339  7.8095  43.670  6.9564  -1.330933      10.45852  
1 1 1 -22 14  22 o 16.485  7.0246  23.841     220.580  128.103    354.746  -41.8786   281.647  21.821  9.0789  17.355  7.6587  4.465828       11.87786  
1 1 1 -22 14  23 o 45.378  5.2688  1178.34    254.139  1046.79    401.918  1265.97    328.045  40.551  9.3430  46.309  6.7379  -5.757450      11.51919  
1 1 1 -22 14  24 o 15.819  7.0489  -43.1041   244.384  -245.2106  393.807  83.473     311.652  17.679  8.2675  19.550  8.3407  -1.870962      11.74389  
1 1 1 -22 14  25 o 60.071  4.4801  2065.77    289.395  2416.63    477.556  1862.15    363.804  62.486  7.1871  55.742  6.1269  6.743908       9.444249  
1 1 1 -22 14  26 o 63.861  5.4176  2407.31    371.196  2603.41    499.708  2165.90    554.450  64.360  7.2975  56.212  9.4415  8.148518       11.93300  
1 1 1 -22 14  27 o 24.077  10.065  342.318    438.862  342.318    438.862  0.0000     0.0000   24.077  10.065  ?       ?       0.000000       10.06451  
1 1 1 -22 14  28 o 17.257  8.1722  -211.8334  406.822  -211.8334  406.822  0.0000     0.0000   17.257  8.1722  ?       ?       0.000000       8.172180  
1 1 1 -22 14  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 15  1  o 96.020  3.5838  5009.33    372.714  5136.24    620.741  4937.78    466.081  96.775  5.9510  95.241  4.5182  1.534332       7.471839  
1 1 1 -22 15  2  o 92.879  3.6241  4687.17    364.580  4309.06    600.329  4908.10    458.895  88.543  6.3010  94.962  4.4616  -6.419556      7.720670  
1 1 1 -22 15  3  o 39.851  4.8957  878.047    206.872  719.709    261.389  1143.49    338.437  35.631  7.0228  45.125  7.1638  -9.494019      10.03193  
1 1 1 -22 15  4  o 196.205 3.9055  20929.74   829.961  20956.01   1166.72  20902.84   1180.90  195.952 5.4972  195.683 5.5717  0.2693634      7.827099  
1 1 1 -22 15  5  o 95.359  3.1141  4937.15    321.635  4921.09    434.245  4956.67    478.723  95.102  4.2158  95.399  4.6331  -0.2967072     6.264036  
1 1 1 -22 15  6  o 79.082  3.2092  3396.54    274.881  3482.68    362.419  3279.87    421.781  79.888  4.2033  77.386  5.0600  2.501762       6.578110  
1 1 1 -22 15  7  o 105.994 2.9534  6099.92    339.058  6209.85    404.181  5838.84    622.900  106.890 3.4912  103.209 5.5931  3.680573       6.593268  
1 1 1 -22 15  8  o 77.399  3.1040  3254.24    260.215  3261.24    301.264  3233.66    516.373  77.442  3.5917  76.542  6.2841  0.8996887      7.238112  
1 1 1 -22 15  9  o 60.367  3.7311  1990.50    242.755  1872.66    292.832  2249.42    434.064  58.402  4.6684  63.697  6.3774  -5.295067      7.903480  
1 1 1 -22 15  10 o 25.806  7.9051  370.704    241.773  370.704    241.773  0.0000     0.0000   25.806  7.9051  ?       ?       0.000000       7.905141  
1 1 1 -22 15  11 o 99.969  4.2970  5453.77    465.264  5453.77    465.264  0.0000     0.0000   99.969  4.2970  ?       ?       0.000000       4.296998  
1 1 1 -22 15  12 o 134.557 4.5374  9897.02    661.284  9897.02    661.284  0.0000     0.0000   134.557 4.5374  ?       ?       0.000000       4.537448  
1 1 1 -22 15  13 o 122.297 4.4673  8179.47    591.745  8179.47    591.745  0.0000     0.0000   122.297 4.4673  ?       ?       0.000000       4.467337  
1 1 1 -22 15  14 o 89.613  3.2528  4373.76    315.720  4400.06    369.165  4302.14    609.203  89.789  3.7960  87.929  6.4416  1.860031       7.476858  
1 1 1 -22 15  15 o 63.271  3.7227  2193.48    253.994  2073.93    299.078  2502.81    481.065  61.343  4.5335  66.760  6.7455  -5.416870      8.127448  
1 1 1 -22 15  16 o 70.655  3.5199  2725.82    269.362  2635.33    310.872  2998.41    539.561  69.238  4.1648  72.961  6.9101  -3.723122      8.068124  
1 1 1 -22 15  17 o 45.561  4.2809  1148.93    208.775  1281.74    249.376  837.737    381.730  48.000  4.8638  37.425  9.4232  10.57549       10.60445  
1 1 1 -22 15  18 o 66.400  3.3901  2416.59    242.997  2615.81    352.136  2235.48    335.748  68.699  4.7619  63.432  4.9255  5.267002       6.851014  
1 1 1 -22 15  19 o 49.705  4.0016  1366.61    213.603  1269.72    313.742  1450.32    291.630  47.175  6.2975  50.797  5.3826  -3.622044      8.284390  
1 1 1 -22 15  20 o 42.981  4.9818  1039.29    227.621  904.152    334.609  1155.69    310.544  38.869  8.2057  44.761  6.6039  -5.891964      10.53304  
1 1 1 -22 15  21 o 28.397  7.3603  481.813    228.248  436.835    358.075  512.596    296.230  27.694  9.6853  29.139  8.7124  -1.445915      13.02738  
1 1 1 -22 15  22 o 23.539  7.5694  321.095    219.064  506.555    327.882  171.557    294.420  28.889  9.2574  21.238  8.4808  7.650757       12.55485  
1 1 1 -22 15  23 o 30.216  7.5135  559.492    244.856  604.289    411.685  534.971    304.586  30.790  10.398  29.230  8.8560  1.560144       13.65843  
1 1 1 -22 15  24 o 14.755  6.6701  -77.3761   227.700  -157.5436  372.536  -29.5657   287.694  17.965  8.2760  17.263  7.6731  0.7017422      11.28576  
1 1 1 -22 15  25 o 21.537  1.6705  254.514    38.664   114.451    394.346  255.873    38.851   21.210  9.2176  21.594  1.6742  -0.3847942     9.368402  
1 1 1 -22 15  26 o 17.337  7.8563  -53.4310   318.120  343.355    395.455  -781.0871  535.527  24.229  9.7743  16.787  8.2721  7.441648       12.80486  
1 1 1 -22 15  27 o 22.464  9.5593  247.442    407.479  247.442    407.479  0.0000     0.0000   22.464  9.5593  ?       ?       0.000000       9.559306  
1 1 1 -22 15  28 o 22.990  9.7721  305.855    424.931  305.855    424.931  0.0000     0.0000   22.990  9.7721  ?       ?       0.000000       9.772058  
1 1 1 -22 15  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 16  1  o 124.331 3.6720  8400.74    494.485  8351.57    597.447  8507.67    881.081  123.865 4.4533  124.479 6.5582  -0.6133881     7.927298  
1 1 1 -22 16  2  o 172.666 4.2019  16219.04   785.827  15981.58   1340.77  16343.29   969.874  170.635 7.2546  173.125 5.1723  -2.490158      8.909702  
1 1 1 -22 16  3  o 183.565 4.3625  18337.94   867.348  19238.74   1486.30  17872.77   1068.07  187.186 7.3310  180.974 5.4490  6.211761       9.134285  
1 1 1 -22 16  4  o 68.786  3.3026  2569.73    246.053  2425.75    322.903  2769.09    379.963  66.600  4.5028  71.107  4.9647  -4.506798      6.702512  
1 1 1 -22 16  5  o 155.241 3.4432  13093.30   578.945  13668.34   809.294  12490.56   828.551  158.391 4.7174  151.346 5.0545  7.045059       6.913895  
1 1 1 -22 16  6  o 66.566  2.9454  2405.61    212.362  2338.99    254.006  2560.30    387.062  65.501  3.5941  68.289  5.2740  -2.787735      6.382183  
1 1 1 -22 16  7  o 79.348  3.1070  3419.68    267.019  3383.86    302.266  3546.99    569.771  78.897  3.5372  80.134  6.6241  -1.237045      7.509319  
1 1 1 -22 16  8  o 198.947 3.9305  21543.32   846.955  22020.97   978.702  20118.79   1690.17  200.984 4.4959  190.658 8.1848  10.32579       9.338283  
1 1 1 -22 16  9  o 63.832  4.6454  2234.93    318.963  2234.93    318.963  0.0000     0.0000   63.832  4.6454  ?       ?       0.000000       4.645394  
1 1 1 -22 16  10 o 203.898 5.6403  22793.55   1245.62  22793.55   1245.62  0.0000     0.0000   203.898 5.6403  ?       ?       0.000000       5.640310  
1 1 1 -22 16  11 o 160.163 4.8730  14031.36   845.340  14031.36   845.340  0.0000     0.0000   160.163 4.8730  ?       ?       0.000000       4.873038  
1 1 1 -22 16  12 o 40.955  6.9406  952.426    296.878  952.426    296.878  0.0000     0.0000   40.955  6.9406  ?       ?       0.000000       6.940574  
1 1 1 -22 16  13 o 100.688 3.2534  5519.23    354.807  5405.56    414.967  5828.25    684.177  99.542  3.8489  102.592 6.1861  -3.050629      7.285767  
1 1 1 -22 16  14 o 89.692  3.2714  4382.16    317.799  4404.20    373.087  4323.87    606.657  89.819  3.8350  88.155  6.3973  1.664406       7.458710  
1 1 1 -22 16  15 o 81.543  3.1828  3623.27    281.105  3304.58    323.603  4603.19    567.443  77.764  3.8420  91.094  5.7812  -13.32954      6.941462  
1 1 1 -22 16  16 o 61.209  3.5205  2052.43    232.412  2128.89    275.927  1865.74    431.176  62.213  4.1182  57.344  7.0935  4.868988       8.202260  
1 1 1 -22 16  17 o 23.523  6.8297  316.974    184.281  386.312    221.417  160.680    332.426  25.863  7.4797  22.388  8.9861  3.475689       11.69174  
1 1 1 -22 16  18 o 53.335  2.2354  1547.01    129.132  1576.43    312.645  1540.96    141.792  53.012  5.5264  53.207  2.4604  -0.1956978     6.049361  
1 1 1 -22 16  19 o 17.956  6.7769  139.119    179.975  -68.9473   268.400  309.105    242.598  16.729  7.4245  23.707  7.9823  -6.978659      10.90142  
1 1 1 -22 16  20 o 26.056  7.4529  400.297    220.937  286.141    344.518  480.039    287.942  24.621  9.3560  28.412  8.6112  -3.791149      12.71561  
1 1 1 -22 16  21 o 30.875  7.0330  566.353    229.934  566.305    359.301  566.386    299.231  30.524  9.6813  30.512  8.6549  0.1197815E-01  12.98594  
1 1 1 -22 16  22 o 18.691  7.4292  127.572    224.972  313.214    360.759  9.4375     287.785  25.070  9.5627  18.280  7.9092  6.790455       12.40965  
1 1 1 -22 16  23 o 17.993  7.4168  90.499     233.660  -21.5858   391.260  152.633    291.312  20.282  8.9846  20.572  8.3574  -0.2907372     12.27069  
1 1 1 -22 16  24 o 17.152  7.2700  58.933     234.076  -75.7657   380.352  141.050    296.974  18.988  8.5987  20.112  8.3322  -1.123777      11.97338  
1 1 1 -22 16  25 o 18.847  7.5920  151.228    238.206  271.468    392.974  81.385     299.502  23.402  9.6293  18.918  8.1264  4.483896       12.60002  
1 1 1 -22 16  26 o 14.665  6.9210  -219.9424  287.167  -224.4363  386.904  -214.4300  428.507  17.192  8.0889  18.178  8.5399  -0.9856930     11.76265  
1 1 1 -22 16  27 o 23.482  1.6237  302.639    41.043   302.639    41.043   0.0000     0.0000   23.482  1.6237  ?       ?       0.000000       1.623689  
1 1 1 -22 16  28 o 19.179  8.8386  -28.6064   425.472  -28.6064   425.472  0.0000     0.0000   19.179  8.8386  ?       ?       0.000000       8.838581  
1 1 1 -22 16  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 17  1  o 159.105 3.9688  13766.27   683.924  13355.72   830.426  14631.87   1205.80  156.544 4.8977  163.370 6.8145  -6.825592      8.391961  
1 1 1 -22 17  2  o 161.404 4.0487  14169.05   707.792  13716.85   1211.35  14403.46   872.160  158.113 7.0735  162.561 4.9535  -4.447998      8.635458  
1 1 1 -22 17  3  o 80.798  3.8737  3549.40    338.993  4019.76    537.464  3238.68    436.844  85.578  5.8333  76.873  5.2786  8.704666       7.867135  
1 1 1 -22 17  4  o 46.019  4.1849  1161.66    206.309  1096.54    258.064  1276.98    343.426  44.493  5.4703  47.797  6.8278  -3.304161      8.748948  
1 1 1 -22 17  5  o 104.965 3.0492  5982.16    346.659  5738.01    466.296  6283.82    518.321  102.683 4.1927  107.422 4.4549  -4.739037      6.117558  
1 1 1 -22 17  6  o 54.923  3.4627  1645.76    204.933  1789.04    228.547  1057.91    462.937  57.243  3.7061  42.732  10.152  14.51089       10.80778  
1 1 1 -22 17  7  f 94.105  3.0404  4809.70    309.898  4838.20    352.119  4711.77    652.691  94.345  3.4459  92.434  6.5620  1.910889       7.411752  
1 1 1 -22 17  8  f 121.943 4.3114  8103.16    569.442  8103.16    569.442  0.0000     0.0000   121.943 4.3114  ?       ?       0.000000       4.311430  
1 1 1 -22 17  9  o 135.716 4.4896  10047.91   659.954  10047.91   659.954  0.0000     0.0000   135.716 4.4896  ?       ?       0.000000       4.489646  
1 1 1 -22 17  10 o 95.396  4.1336  4961.77    427.096  4961.77    427.096  0.0000     0.0000   95.396  4.1336  ?       ?       0.000000       4.133553  
1 1 1 -22 17  11 o 115.073 3.7223  7213.76    463.929  7213.76    463.929  0.0000     0.0000   115.073 3.7223  ?       ?       0.000000       3.722283  
1 1 1 -22 17  12 o 101.988 3.1446  5659.09    347.368  6053.23    407.454  4610.47    664.602  105.410 3.5688  91.054  6.7877  14.35542       7.668721  
1 1 1 -22 17  13 o 103.207 3.1122  5796.60    347.890  5573.96    401.924  6461.67    694.666  101.110 3.6701  108.116 5.9552  -7.006065      6.995256  
1 1 1 -22 17  14 o 11.889  5.4566  -113.0433  159.938  -288.5830  192.711  275.479    286.699  11.168  5.3787  23.887  8.6339  -12.71883      10.17226  
1 1 1 -22 17  15 o 74.569  3.2499  3031.17    262.482  3020.87    302.378  3062.65    528.703  74.265  3.7716  73.906  6.6770  0.3596573      7.668561  
1 1 1 -22 17  16 o 81.224  3.2200  3597.87    283.271  3475.13    330.144  3940.41    551.525  79.712  3.8239  84.042  6.1005  -4.330254      7.199918  
1 1 1 -22 17  17 o 91.257  3.2644  4545.98    322.651  4312.94    382.088  5125.16    602.357  88.717  3.9764  95.906  5.8264  -7.189072      7.053945  
1 1 1 -22 17  18 o 32.700  5.7333  611.207    195.652  674.592    236.207  472.667    349.208  34.131  6.6284  28.824  9.5754  5.307186       11.64579  
1 1 1 -22 17  19 o 15.741  6.4804  52.356     178.105  180.926    264.301  -54.5949   241.058  21.033  8.1431  16.008  7.0736  5.025074       10.78636  
1 1 1 -22 17  20 o 32.824  6.4116  628.015    219.767  908.683    351.002  447.045    281.849  38.783  8.5831  27.526  8.5524  11.25638       12.11664  
1 1 1 -22 17  21 o 19.274  7.3218  164.357    210.953  249.676    314.383  94.480     284.515  23.259  8.9138  19.686  8.1556  3.573183       12.08181  
1 1 1 -22 17  22 o 55.943  4.4926  1752.39    269.918  1896.50    429.681  1658.46    346.909  56.860  7.1340  53.697  6.0714  3.162861       9.367851  
1 1 1 -22 17  23 o 21.459  7.8000  245.735    234.467  169.064    378.627  293.423    298.612  22.562  9.3828  23.467  8.7547  -0.9045334     12.83287  
1 1 1 -22 17  24 o 74.593  3.9647  3127.43    319.169  3482.97    510.583  2899.39    408.909  76.773  6.1930  70.745  5.3768  6.028008       8.201417  
1 1 1 -22 17  25 o 67.348  4.2185  2579.09    306.165  2809.22    497.231  2438.57    388.560  67.744  6.8717  64.303  5.6359  3.441612       8.887294  
1 1 1 -22 17  26 o 17.924  8.3987  -196.1117  409.871  -196.1117  409.871  0.0000     0.0000   17.924  8.3987  ?       ?       0.000000       8.398717  
1 1 1 -22 17  27 o 25.302  10.188  433.539    428.730  433.539    428.730  0.0000     0.0000   25.302  10.188  ?       ?       0.000000       10.18774  
1 1 1 -22 17  28 o ?       ?       -347.8399  57.852   -347.8399  57.852   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -22 17  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 18  1  o 63.297  3.5553  2184.01    242.753  1941.35    276.642  2996.40    506.180  59.568  4.3171  73.705  6.4044  -14.13680      7.723531  
1 1 1 -22 18  2  o 65.440  3.7859  2335.78    267.189  2320.56    310.126  2379.60    526.300  65.141  4.4218  65.368  7.5740  -0.2268982     8.770220  
1 1 1 -22 18  3  o 58.766  4.3279  1889.76    273.531  1953.26    431.036  1846.95    353.927  59.305  6.8356  57.868  5.7218  1.436554       8.914268  
1 1 1 -22 18  4  o 134.007 3.2245  9753.16    468.019  9225.11    643.676  10345.47   681.718  130.141 4.5665  137.818 4.5670  -7.676178      6.458338  
1 1 1 -22 18  5  o 94.979  2.7047  4895.64    278.235  4845.58    348.866  4983.14    461.217  94.434  3.4108  95.653  4.4518  -1.219116      5.608218  
1 1 1 -22 18  6  o 77.199  3.1275  3236.99    261.509  3229.91    296.124  3262.07    557.378  77.082  3.5469  76.797  6.7702  0.2848358      7.643036  
1 1 1 -22 18  7  o 157.220 4.7944  13484.89   816.427  13484.89   816.427  0.0000     0.0000   157.220 4.7944  ?       ?       0.000000       4.794447  
1 1 1 -22 18  8  o 38.929  6.0723  850.066    247.676  850.066    247.676  0.0000     0.0000   38.929  6.0723  ?       ?       0.000000       6.072259  
1 1 1 -22 18  9  o 63.320  4.5455  2199.06    309.667  2199.06    309.667  0.0000     0.0000   63.320  4.5455  ?       ?       0.000000       4.545483  
1 1 1 -22 18  10 o 80.605  3.1235  3532.44    272.693  3620.60    316.355  3277.54    537.928  81.555  3.5814  76.876  6.5220  4.678360       7.440598  
1 1 1 -22 18  11 o 128.719 3.2557  9014.38    453.896  9177.53    529.138  8559.93    883.102  129.778 3.7644  124.388 6.5782  5.390327       7.579179  
1 1 1 -22 18  12 o 35.324  5.2560  698.902    194.964  782.540    233.406  505.847    354.610  37.254  5.9874  30.101  9.6254  7.153141       11.33566  
1 1 1 -22 18  13 o 29.567  5.4309  495.078    167.512  524.254    193.512  407.861    334.581  30.308  6.1061  27.642  9.3739  2.666103       11.18726  
1 1 1 -22 18  14 o 46.214  4.1291  1176.74    204.505  1121.60    244.961  1303.58    371.500  44.899  5.1293  47.819  7.4128  -2.919662      9.014378  
1 1 1 -22 18  15 o 33.177  5.8650  625.907    203.041  545.385    236.881  848.892    394.193  30.641  7.2507  37.798  9.6081  -7.156614      12.03695  
1 1 1 -22 18  16 o 50.169  4.0545  1387.07    218.434  1427.35    251.721  1264.29    439.518  50.766  4.6289  46.332  9.0831  4.433670       10.19456  
1 1 1 -22 18  17 o 47.499  4.4149  1250.11    224.529  1289.69    275.029  1171.03    388.790  47.993  5.3837  44.712  8.3349  3.281029       9.922486  
1 1 1 -22 18  18 f 65.079  3.5225  2324.68    247.368  2490.03    293.915  1923.09    458.045  67.216  4.0562  57.800  7.4929  9.416107       8.520390  
1 1 1 -22 18  19 o 61.259  3.4759  2062.59    229.674  2140.53    324.888  1984.72    324.728  61.975  4.8795  59.593  5.0795  2.382427       7.043483  
1 1 1 -22 18  20 o 25.149  6.8795  372.213    192.805  358.999    292.206  382.403    256.589  25.412  8.7570  25.680  8.1852  -0.2676868     11.98680  
1 1 1 -22 18  21 o 36.529  6.2048  774.298    236.713  591.870    373.141  897.157    306.218  31.108  9.8659  38.825  7.5539  -7.716997      12.42574  
1 1 1 -22 18  22 o 15.155  6.7775  -69.1897   228.104  243.344    378.912  -246.8280  285.666  24.066  9.6172  14.929  7.0007  9.136639       11.89534  
1 1 1 -22 18  23 o 35.018  6.7319  735.809    246.053  831.121    391.212  673.430    316.488  35.595  9.8252  32.527  8.7793  3.068401       13.17618  
1 1 1 -22 18  24 o 33.912  7.0152  711.695    249.172  1084.49    400.713  476.676    318.162  40.289  9.3613  27.111  9.1413  13.17817       13.08421  
1 1 1 -22 18  25 o 49.649  5.2266  1442.95    276.841  1477.27    456.315  1422.97    348.255  46.713  9.3453  48.041  6.8901  -1.328205      11.61071  
1 1 1 -22 18  26 o 28.806  10.627  611.613    437.578  611.613    437.578  0.0000     0.0000   28.806  10.627  ?       ?       0.000000       10.62716  
1 1 1 -22 18  27 o 19.049  8.6691  -13.4778   392.613  -13.4778   392.613  0.0000     0.0000   19.049  8.6691  ?       ?       0.000000       8.669111  
1 1 1 -22 18  28 o 24.786  9.9726  439.670    410.489  439.670    410.489  0.0000     0.0000   24.786  9.9726  ?       ?       0.000000       9.972619  
1 1 1 -22 18  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 19  1  o 108.198 2.8979  6354.84    339.604  5788.60    453.984  7074.30    511.729  103.148 4.0636  114.019 4.1437  -10.87065      5.803724  
1 1 1 -22 19  2  o 103.514 3.5414  5823.05    397.047  5893.82    474.946  5658.79    723.537  104.066 4.2137  101.396 6.6247  2.670013       7.851209  
1 1 1 -22 19  3  o 125.346 3.7726  8542.49    512.176  8922.72    854.364  8329.19    639.909  127.680 6.1780  123.623 4.7791  4.057114       7.810787  
1 1 1 -22 19  4  o 201.384 3.8420  22055.40   838.026  21025.79   1173.69  23126.24   1196.95  196.189 5.5234  205.803 5.3697  -9.615021      7.703401  
1 1 1 -22 19  5  o 107.657 2.9846  6293.17    348.019  6395.14    394.704  5936.97    737.684  108.488 3.3591  103.838 6.5933  4.650528       7.399667  
1 1 1 -22 19  6  o 84.777  4.1337  3912.86    379.566  3912.86    379.566  0.0000     0.0000   84.777  4.1337  ?       ?       0.000000       4.133685  
1 1 1 -22 19  7  o 69.214  4.0728  2617.38    303.971  2617.38    303.971  0.0000     0.0000   69.214  4.0728  ?       ?       0.000000       4.072755  
1 1 1 -22 19  8  o 174.750 5.1052  16689.20   966.269  16689.20   966.269  0.0000     0.0000   174.750 5.1052  ?       ?       0.000000       5.105172  
1 1 1 -22 19  9  o 94.335  2.8527  4834.32    291.477  5177.63    361.544  4196.85    492.659  97.561  3.4215  87.427  5.2267  10.13487       6.246982  
1 1 1 -22 19  10 o 59.857  2.5133  1945.35    162.941  1959.33    274.877  1937.78    202.318  59.776  4.2738  59.615  3.1445  0.1614723      5.305933  
1 1 1 -22 19  11 o 121.529 3.1999  8034.76    421.202  8188.67    491.590  7609.79    816.879  122.593 3.7023  117.289 6.4551  5.303780       7.441469  
1 1 1 -22 19  12 o 223.407 4.2620  27265.27   1031.30  27088.64   1190.43  27796.59   2064.72  222.351 4.9430  222.669 8.5612  -0.3179932     9.885700  
1 1 1 -22 19  13 o 105.656 3.0557  6074.73    349.684  6008.91    406.675  6261.44    684.948  104.989 3.5763  106.391 5.9681  -1.402306      6.957627  
1 1 1 -22 19  14 o 110.887 3.1012  6695.62    372.458  6359.57    440.442  7539.16    697.823  107.928 3.7678  116.976 5.5078  -9.048149      6.673229  
1 1 1 -22 19  15 o 48.004  2.0957  1251.44    108.963  1051.30    255.663  1295.86    120.450  43.295  5.5820  48.836  2.2772  -5.540913      6.028662  
1 1 1 -22 19  16 o 62.041  3.6753  2111.19    245.868  1982.00    285.872  2478.31    481.918  59.931  4.4355  66.274  6.8105  -6.343498      8.127538  
1 1 1 -22 19  17 o 36.825  5.3059  764.698    205.516  803.129    251.367  687.212    356.927  37.434  6.4315  33.921  9.3935  3.513184       11.38430  
1 1 1 -22 19  18 o 64.381  3.5428  2275.85    246.095  2404.95    292.702  1964.50    454.560  66.032  4.1130  58.481  7.3379  7.550842       8.411986  
1 1 1 -22 19  19 o 125.847 3.2401  8665.52    441.636  8382.57    629.792  8939.27    619.470  123.067 4.7248  127.218 4.4958  -4.150497      6.521939  
1 1 1 -22 19  20 o 83.699  3.2350  3838.18    293.267  4193.71    429.460  3527.53    401.440  86.876  4.5802  79.615  4.6759  7.260933       6.545430  
1 1 1 -22 19  21 o 17.490  7.2692  63.433     227.067  72.799     429.902  59.809     267.410  22.754  9.7540  18.607  7.8221  4.146660       12.50305  
1 1 1 -22 19  22 o 30.385  7.2934  557.417    236.979  876.435    376.299  347.733    305.075  37.287  9.3381  24.981  8.9207  12.30591       12.91428  
1 1 1 -22 19  23 o 24.248  2.4723  325.158    64.021   996.000    407.185  308.154    64.828   39.022  9.6807  23.577  2.5808  15.44487       10.01882  
1 1 1 -22 19  24 o 25.592  1.0774  355.652    29.865   362.544    30.014   -332.7747  299.975  25.839  1.0725  14.219  6.8119  11.62028       6.895799  
1 1 1 -22 19  25 o 35.372  6.9043  780.805    255.022  884.833    411.716  716.047    324.842  35.051  10.218  32.432  8.9535  2.618557       13.58548  
1 1 1 -22 19  26 o 41.213  9.7491  1209.03    428.364  1209.03    428.364  0.0000     0.0000   41.213  9.7491  ?       ?       0.000000       9.749057  
1 1 1 -22 19  27 o 20.888  9.1652  141.182    398.064  141.182    398.064  0.0000     0.0000   20.888  9.1652  ?       ?       0.000000       9.165158  
1 1 1 -22 19  28 o 20.815  9.2810  136.985    424.331  136.985    424.331  0.0000     0.0000   20.815  9.2810  ?       ?       0.000000       9.280957  
1 1 1 -22 20  1  o 171.613 3.4313  16003.75   637.787  15100.34   887.549  16968.35   917.112  166.400 4.9246  176.423 4.7995  -10.02322      6.876536  
1 1 1 -22 20  2  o 29.265  5.8655  484.738    179.444  535.462    197.749  248.180    427.047  30.746  6.1530  26.437  10.319  4.309019       12.01385  
1 1 1 -22 20  3  o 138.368 3.7880  10411.28   567.699  10753.08   684.580  9658.70    1015.83  140.502 4.4985  132.404 7.1095  8.098190       8.413236  
1 1 1 -22 20  4  o 104.829 3.4267  5971.79    389.067  6237.27    478.328  5452.77    668.824  107.051 4.1254  99.587  6.2320  7.464142       7.473761  
1 1 1 -22 20  5  o 191.221 5.3519  19974.88   1108.44  19974.88   1108.44  0.0000     0.0000   191.221 5.3519  ?       ?       0.000000       5.351890  
1 1 1 -22 20  6  o 163.193 4.9040  14533.45   866.802  14533.45   866.802  0.0000     0.0000   163.193 4.9040  ?       ?       0.000000       4.903980  
1 1 1 -22 20  7  o 23.399  7.2742  300.582    203.867  300.582    203.867  0.0000     0.0000   23.399  7.2742  ?       ?       0.000000       7.274214  
1 1 1 -22 20  8  o 65.418  3.2402  2326.40    229.581  2449.59    260.497  1897.85    485.868  67.002  3.6028  58.041  7.9369  8.961597       8.716295  
1 1 1 -22 20  9  o 130.282 3.1972  9228.64    451.154  9611.42    522.532  8107.58    894.229  132.880 3.6306  121.071 6.8473  11.80911       7.750324  
1 1 1 -22 20  10 o 78.896  3.2204  3385.53    275.193  3498.18    323.457  3090.25    523.668  80.139  3.7265  74.603  6.5470  5.535873       7.533283  
1 1 1 -22 20  11 o 117.759 3.1185  7542.93    397.748  7140.15    459.624  8744.08    793.719  114.469 3.7072  126.108 5.8111  -11.63902      6.892879  
1 1 1 -22 20  12 o 60.837  3.4215  2022.05    224.541  1990.92    261.205  2110.18    439.491  60.265  4.0249  61.412  6.7169  -1.147198      7.830461  
1 1 1 -22 20  13 o 51.897  2.4368  1463.16    136.972  1708.43    258.614  1367.53    161.481  55.731  4.3181  50.045  2.9929  5.685680       5.253864  
1 1 1 -22 20  14 o 58.374  3.6767  1867.12    231.273  1917.09    266.628  1715.28    464.768  59.051  4.1961  54.726  8.0844  4.324791       9.108513  
1 1 1 -22 20  15 f 30.047  7.0905  524.101    227.034  670.848    280.238  243.838    387.281  33.900  7.7952  25.105  9.8188  8.794567       12.53686  
1 1 1 -22 20  16 o 53.301  4.0146  1564.49    230.060  1445.53    267.233  1905.09    452.180  51.013  4.8968  57.796  7.3928  -6.782951      8.867488  
1 1 1 -22 20  17 o 16.740  6.6575  88.240     180.756  164.738    211.923  -115.9825  346.263  19.520  7.3570  18.633  8.3402  0.8873119      11.12135  
1 1 1 -22 20  18 o 64.001  3.6765  2252.03    253.784  2300.42    305.881  2145.14    454.616  64.479  4.4063  61.286  6.9729  3.193153       8.248406  
1 1 1 -22 20  19 o 75.205  3.8324  3115.40    311.132  2875.87    390.087  3534.20    515.810  71.803  5.0480  79.140  6.0637  -7.337173      7.889965  
1 1 1 -22 20  20 o 62.844  3.8524  2182.38    260.956  2202.56    387.216  2165.59    353.217  62.362  5.7991  62.052  5.3065  0.3102837      7.860633  
1 1 1 -22 20  21 o 16.540  6.9127  47.960     206.970  486.404    372.299  -148.1498  248.991  28.800  9.8869  14.869  6.8187  13.93056       12.01021  
1 1 1 -22 20  22 o 21.769  7.7444  254.553    229.719  339.109    367.680  200.413    294.209  25.534  9.6744  21.700  8.5366  3.834490       12.90220  
1 1 1 -22 20  23 o 46.268  5.3886  1235.36    264.981  1137.44    433.116  1293.94    334.991  41.627  9.7734  46.527  6.8526  -4.900070      11.93642  
1 1 1 -22 20  24 o 34.215  7.1524  730.734    256.519  970.099    423.560  592.085    322.362  37.172  10.208  29.713  9.1324  7.459734       13.69696  
1 1 1 -22 20  25 o 20.184  8.2999  169.424    291.723  57.033     386.365  318.465    444.923  20.295  8.9624  24.588  10.194  -4.293020      13.57336  
1 1 1 -22 20  26 o 34.636  10.226  891.384    410.073  891.384    410.073  0.0000     0.0000   34.636  10.226  ?       ?       0.000000       10.22600  
1 1 1 -22 20  27 o 23.014  9.7650  284.497    423.045  284.497    423.045  0.0000     0.0000   23.014  9.7650  ?       ?       0.000000       9.764981  
1 1 1 -22 20  28 o 20.524  9.1265  130.330    407.469  130.330    407.469  0.0000     0.0000   20.524  9.1265  ?       ?       0.000000       9.126514  
1 1 1 -22 21  1  o 28.645  5.1164  461.077    152.914  506.721    185.751  365.105    269.345  29.919  5.9416  26.020  8.3960  3.899113       10.28571  
1 1 1 -22 21  2  o 71.030  3.1141  2740.14    239.575  2744.57    311.351  2733.69    375.106  70.900  4.0715  70.625  4.9347  0.2752075      6.397570  
1 1 1 -22 21  3  o 120.630 3.5563  7910.21    464.646  7463.58    555.755  8947.38    846.914  117.061 4.3833  127.826 6.1172  -10.76454      7.525498  
1 1 1 -22 21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 21  5  o 72.263  6.0588  2879.96    469.837  2879.96    469.837  0.0000     0.0000   72.263  6.0588  ?       ?       0.000000       6.058798  
1 1 1 -22 21  6  o 138.949 4.4350  10523.27   667.445  10523.27   667.445  0.0000     0.0000   138.949 4.4350  ?       ?       0.000000       4.434961  
1 1 1 -22 21  7  o 96.140  3.0472  5021.58    317.306  4966.33    360.447  5211.83    668.858  95.562  3.4824  97.216  6.3878  -1.653145      7.275409  
1 1 1 -22 21  8  o 126.321 3.1809  8674.14    435.213  8702.10    498.789  8584.93    890.833  126.451 3.6419  124.727 6.6179  1.724174       7.553825  
1 1 1 -22 21  9  o 121.845 3.1598  8071.97    417.005  8257.43    482.759  7526.85    827.648  123.161 3.6190  116.716 6.5738  6.444572       7.504136  
1 1 1 -22 21  10 o 80.074  2.9683  3485.38    257.434  3268.81    298.625  4112.02    507.965  77.482  3.5584  86.425  5.4545  -8.942772      6.512589  
1 1 1 -22 21  11 o 13.051  5.6656  -21.3909   148.653  -112.0397  168.448  297.723    316.052  12.322  5.6352  24.995  9.0604  -12.67216      10.66982  
1 1 1 -22 21  12 o 105.833 3.1065  6094.56    356.093  5740.62    412.995  7120.12    703.007  102.610 3.7161  113.611 5.7315  -11.00126      6.830799  
1 1 1 -22 21  13 o 122.463 3.2295  8167.31    428.357  8239.23    500.941  7971.67    826.218  122.878 3.7639  119.859 6.3874  3.019371       7.413913  
1 1 1 -22 21  14 o 65.205  3.5018  2325.90    246.405  2197.51    283.406  2723.53    498.758  63.243  4.1607  69.698  6.6891  -6.455498      7.877482  
1 1 1 -22 21  15 o 54.257  3.8713  1617.72    226.008  1626.28    261.382  1592.37    449.901  54.266  4.4874  52.556  8.1689  1.710461       9.320277  
1 1 1 -22 21  16 o 26.818  6.6303  417.089    191.497  482.206    220.329  215.975    387.207  28.772  7.1109  24.550  9.7502  4.222158       12.06777  
1 1 1 -22 21  17 o 75.352  3.3469  3102.45    273.152  3031.92    315.538  3313.34    545.636  74.264  3.9369  76.622  6.6404  -2.357903      7.719769  
1 1 1 -22 21  18 o 65.696  3.8395  2376.23    272.012  2200.14    335.325  2715.05    465.151  62.859  4.9657  69.335  6.2615  -6.475979      7.991540  
1 1 1 -22 21  19 o 99.801  3.2794  5452.43    354.484  4958.30    419.383  6688.74    663.368  94.892  4.0805  109.275 5.6239  -14.38318      6.948256  
1 1 1 -22 21  20 o 84.595  2.9151  3913.12    267.099  4005.64    447.190  3861.81    333.029  84.721  4.8942  83.803  3.6690  0.9183960      6.116796  
1 1 1 -22 21  21 o 28.228  1.9684  435.668    59.803   359.993    369.074  437.708    60.604   26.206  9.7416  28.291  1.9905  -2.085354      9.942842  
1 1 1 -22 21  22 o 46.581  4.9965  1230.85    248.145  1343.66    400.485  1160.55    316.144  47.051  8.1540  44.393  6.7911  2.658810       10.61164  
1 1 1 -22 21  23 o 39.176  6.0912  906.098    250.065  1210.07    398.539  708.713    321.150  43.676  8.7301  33.191  8.7931  10.48483       12.39083  
1 1 1 -22 21  24 o 22.619  8.0259  305.842    246.571  509.699    411.823  191.927    307.849  27.776  10.297  21.038  8.5741  6.737844       13.39953  
1 1 1 -22 21  25 o 28.621  8.9704  556.481    309.317  675.823    413.626  405.063    465.907  30.582  10.422  25.979  10.563  4.603249       14.83935  
1 1 1 -22 21  26 f 18.337  8.4850  -119.1269  398.088  -119.1269  398.088  0.0000     0.0000   18.337  8.4850  ?       ?       0.000000       8.485014  
1 1 1 -22 21  27 o 24.481  9.8749  395.588    403.597  395.588    403.597  0.0000     0.0000   24.481  9.8749  ?       ?       0.000000       9.874939  
1 1 1 -22 21  28 o 25.869  10.094  506.729    408.558  506.729    408.558  0.0000     0.0000   25.869  10.094  ?       ?       0.000000       10.09388  
1 1 1 -22 22  1  o 113.054 2.9841  6940.72    365.401  6458.37    499.702  7495.04    535.683  108.903 4.2365  117.321 4.2156  -8.418365      5.976539  
1 1 1 -22 22  2  f 106.501 2.9648  6159.08    341.997  5669.39    462.069  6752.33    508.585  102.044 4.1807  111.359 4.2167  -9.315193      5.937882  
1 1 1 -22 22  3  o 39.103  5.0677  848.193    209.581  848.193    209.581  0.0000     0.0000   39.103  5.0677  ?       ?       0.000000       5.067743  
1 1 1 -22 22  4  o 28.061  8.9835  429.196    308.826  429.196    308.826  0.0000     0.0000   28.061  8.9835  ?       ?       0.000000       8.983549  
1 1 1 -22 22  5  o 106.949 5.9724  6284.85    689.060  6284.85    689.060  0.0000     0.0000   106.949 5.9724  ?       ?       0.000000       5.972398  
1 1 1 -22 22  6  o 154.143 3.3925  12917.29   566.390  12456.40   649.416  14382.00   1157.71  151.261 3.9639  161.775 6.6072  -10.51424      7.705055  
1 1 1 -22 22  7  o 210.555 3.9916  24145.77   910.300  22859.63   1047.69  28107.60   1838.81  204.637 4.7269  225.543 7.5273  -20.90633      8.888380  
1 1 1 -22 22  8  o 83.841  2.5683  3816.32    233.223  3450.19    298.341  4391.68    373.988  79.636  3.4588  89.799  3.8452  -10.16290      5.171938  
1 1 1 -22 22  9  o 77.933  2.6327  3298.45    222.225  3021.32    294.733  3663.55    338.301  74.491  3.6531  82.007  3.8087  -7.516617      5.277423  
1 1 1 -22 22  10 o 54.903  3.3028  1646.05    195.489  1476.84    226.886  2133.63    385.151  51.878  4.0706  62.056  5.7975  -10.17825      7.083815  
1 1 1 -22 22  11 o 63.802  3.0874  2214.30    213.349  2270.80    244.560  2034.39    436.448  64.474  3.5154  60.284  6.8034  4.189949       7.657963  
1 1 1 -22 22  12 o 114.317 3.1143  7111.48    385.608  7300.48    448.266  6573.62    756.210  115.737 3.5760  108.872 6.4416  6.864426       7.367574  
1 1 1 -22 22  13 o 138.701 3.3011  10480.54   495.922  10346.29   576.693  10861.62   971.642  137.658 3.8679  140.057 6.4052  -2.398911      7.482446  
1 1 1 -22 22  14 o 103.950 3.1880  5888.02    358.936  5835.88    419.120  6031.49    695.199  103.368 3.7435  104.153 6.1905  -0.7848892     7.234412  
1 1 1 -22 22  15 o 56.716  3.6604  1764.51    223.657  1588.42    255.264  2346.44    464.034  53.635  4.4338  64.547  6.7368  -10.91172      8.064925  
1 1 1 -22 22  16 o 109.688 3.1370  6562.15    372.690  6027.20    429.248  8200.33    751.164  104.956 3.7760  121.630 5.7019  -16.67433      6.838885  
1 1 1 -22 22  17 o 44.415  4.6963  1098.89    222.495  1029.69    259.457  1291.17    432.521  42.679  5.7599  46.707  8.8743  -4.027233      10.57970  
1 1 1 -22 22  18 o 46.854  4.3611  1219.51    218.775  1181.12    263.655  1304.38    392.003  45.794  5.4209  47.188  7.9526  -1.394386      9.624459  
1 1 1 -22 22  19 o 57.147  2.6391  1781.15    163.349  2247.80    287.827  1559.43    198.395  63.726  4.1935  53.229  3.4600  10.49671       5.436667  
1 1 1 -22 22  20 o 52.660  3.9931  1537.58    226.056  1868.36    335.207  1261.67    306.147  57.533  5.4440  46.899  6.1772  10.63371       8.233801  
1 1 1 -22 22  21 o 46.285  4.7507  1204.64    234.780  1896.50    394.382  824.850    292.198  57.377  6.4584  37.158  7.5185  20.21973       9.911521  
1 1 1 -22 22  22 o 40.104  5.8122  931.366    245.104  804.339    411.354  1001.29    305.198  35.232  10.197  40.978  7.1357  -5.746193      12.44553  
1 1 1 -22 22  23 o 12.942  6.1162  -219.3411  225.646  -351.5747  365.930  -138.2117  286.626  16.121  7.6679  15.935  7.3105  0.1858625      10.59429  
1 1 1 -22 22  24 o 24.283  7.9702  371.420    242.207  513.841    387.166  279.842    310.461  27.764  10.034  22.690  8.8142  5.073399       13.35523  
1 1 1 -22 22  25 o 36.800  8.0031  882.166    309.903  1000.44    403.739  712.536    483.505  37.661  9.8027  30.868  11.204  6.793003       14.88684  
1 1 1 -22 22  26 f 38.541  9.9978  1084.39    420.906  1084.39    420.906  0.0000     0.0000   38.541  9.9978  ?       ?       0.000000       9.997828  
1 1 1 -22 22  27 o 39.777  9.8363  1175.13    421.403  1175.13    421.403  0.0000     0.0000   39.777  9.8363  ?       ?       0.000000       9.836298  
1 1 1 -22 22  28 o 24.044  9.9217  388.702    418.677  388.702    418.677  0.0000     0.0000   24.044  9.9217  ?       ?       0.000000       9.921659  
1 1 1 -22 23  1  o 70.449  3.0293  2695.64    231.143  2907.76    301.606  2393.74    359.813  73.005  3.8276  66.023  5.0704  6.982422       6.352908  
1 1 1 -22 23  2  o 112.152 3.3112  6835.35    402.211  6979.33    482.565  6507.72    727.932  113.246 3.9343  108.788 6.2036  4.458160       7.345964  
1 1 1 -22 23  3  o 60.114  4.2115  1977.59    272.478  1977.59    272.478  0.0000     0.0000   60.114  4.2115  ?       ?       0.000000       4.211477  
1 1 1 -22 23  4  o 128.489 6.2185  9053.00    865.403  9053.00    865.403  0.0000     0.0000   128.489 6.2185  ?       ?       0.000000       6.218460  
1 1 1 -22 23  5  o 89.244  3.5450  4331.32    342.666  4407.18    408.258  4150.46    630.355  89.948  4.1906  86.631  6.7719  3.316483       7.963600  
1 1 1 -22 23  6  o 175.131 3.5401  16682.47   671.508  15927.44   769.813  19085.29   1373.30  170.982 4.1569  186.230 6.8084  -15.24829      7.977112  
1 1 1 -22 23  7  o 156.314 3.4138  13289.20   577.975  13083.92   663.957  13931.36   1174.35  154.988 3.9552  159.031 6.8178  -4.042816      7.882041  
1 1 1 -22 23  8  o 178.847 3.6467  17412.46   706.397  18512.33   816.675  14144.85   1407.65  184.286 4.0915  159.345 8.1837  24.94057       9.149551  
1 1 1 -22 23  9  o 159.775 3.4269  13892.18   593.027  14280.45   684.515  12723.90   1187.38  161.875 3.9042  151.643 7.2293  10.23151       8.216158  
1 1 1 -22 23  10 o 53.638  3.4041  1572.33    196.739  1550.34    230.257  1631.82    378.664  53.164  4.0287  53.991  6.6137  -0.8268623     7.744105  
1 1 1 -22 23  11 o 104.838 2.9583  5976.94    335.911  6240.16    388.981  5204.90    666.181  107.058 3.3546  96.904  6.3829  10.15412       7.210755  
1 1 1 -22 23  12 o 12.854  5.7361  -63.6179   162.461  -68.6981   189.432  -49.4904   315.898  13.951  6.2121  18.775  8.2031  -4.823970      10.28986  
1 1 1 -22 23  13 o 22.928  6.5018  299.122    168.896  349.202    195.545  152.029    335.130  24.720  6.9911  22.466  9.0209  2.253668       11.41280  
1 1 1 -22 23  14 o 40.170  4.7599  897.966    203.067  941.923    243.331  797.120    368.566  40.944  5.6365  36.710  9.2682  4.234127       10.84758  
1 1 1 -22 23  15 o 64.757  3.5170  2296.30    245.749  2099.98    283.121  2896.14    494.895  61.757  4.2587  71.882  6.4242  -10.12582      7.707619  
1 1 1 -22 23  16 o 54.643  3.7896  1641.62    222.902  1771.88    255.695  1229.25    454.944  56.686  4.1944  45.411  9.5523  11.27503       10.43265  
1 1 1 -22 23  17 o 85.603  3.3610  4005.60    311.621  3697.82    365.164  4830.38    597.777  81.957  4.1269  92.906  5.9722  -10.94844      7.259363  
1 1 1 -22 23  18 f 40.884  4.8509  937.114    210.615  1004.20    247.083  758.819    402.795  42.129  5.5500  35.252  10.056  6.876705       11.48600  
1 1 1 -22 23  19 o 64.521  3.6332  2292.32    252.865  2375.61    302.389  2098.67    461.105  65.477  4.2876  60.290  7.2040  5.187260       8.383400  
1 1 1 -22 23  20 o 86.593  3.2214  4109.61    302.127  4129.64    437.732  4091.38    417.528  86.104  4.7116  85.803  4.5086  0.3008957      6.521220  
1 1 1 -22 23  21 o 73.924  3.6561  3010.63    292.732  3724.74    478.436  2583.33    370.092  81.213  5.4710  67.774  5.0786  13.43864       7.464859  
1 1 1 -22 23  22 o 15.028  6.5935  -24.6706   206.002  -61.4866   361.373  -6.9475    250.730  19.166  8.5539  16.815  7.3285  2.351328       11.26388  
1 1 1 -22 23  23 o 27.565  7.8218  477.339    244.352  704.131    400.707  343.078    308.311  32.293  10.222  24.357  8.9304  7.936378       13.57351  
1 1 1 -22 23  24 o 50.376  4.9949  1470.94    268.941  1664.92    417.667  1333.55    351.510  51.430  7.7377  46.354  7.2378  5.075409       10.59516  
1 1 1 -22 23  25 o 18.473  2.3167  190.319    45.335   190.319    45.335   0.0000     0.0000   18.473  2.3167  ?       ?       0.000000       2.316704  
1 1 1 -22 23  26 o 18.261  8.3900  -83.3948   379.477  -83.3948   379.477  0.0000     0.0000   18.261  8.3900  ?       ?       0.000000       8.390029  
1 1 1 -22 23  27 o 51.772  8.5388  1834.48    462.115  1834.48    462.115  0.0000     0.0000   51.772  8.5388  ?       ?       0.000000       8.538841  
1 1 1 -22 23  28 o 29.686  2.3926  490.448    76.276   490.448    76.276   0.0000     0.0000   29.686  2.3926  ?       ?       0.000000       2.392581  
1 1 1 -22 24  1  o 47.699  3.6566  1244.75    187.474  1335.82    212.262  921.702    399.771  49.375  4.0036  39.905  9.4035  9.469681       10.22034  
1 1 1 -22 24  2  o 77.679  3.7679  3283.00    317.016  3283.00    317.016  0.0000     0.0000   77.679  3.7679  ?       ?       0.000000       3.767946  
1 1 1 -22 24  3  o 84.855  3.8922  3918.85    357.716  3918.85    357.716  0.0000     0.0000   84.855  3.8922  ?       ?       0.000000       3.892154  
1 1 1 -22 24  4  o 82.768  5.5549  3764.51    495.089  3764.51    495.089  0.0000     0.0000   82.768  5.5549  ?       ?       0.000000       5.554916  
1 1 1 -22 24  5  o 28.114  8.3743  444.596    274.060  600.722    365.803  244.837    413.774  32.525  9.6719  26.032  10.158  6.493338       14.02601  
1 1 1 -22 24  6  o 48.143  3.4345  1266.83    177.913  1139.60    193.190  1977.19    456.491  45.576  3.9528  59.450  7.2389  -13.87409      8.247763  
1 1 1 -22 24  7  o 51.657  3.3731  1457.46    187.690  1559.80    219.451  1178.67    362.209  53.386  3.8205  45.582  7.6045  7.803226       8.510242  
1 1 1 -22 24  8  o 103.871 2.9455  5863.27    331.377  5905.15    383.174  5739.04    660.006  104.182 3.3957  102.042 5.9981  2.140564       6.892611  
1 1 1 -22 24  9  o 111.373 2.9580  6742.42    356.823  6398.75    410.110  7813.10    723.872  108.419 3.4924  119.320 5.6012  -10.90118      6.600778  
1 1 1 -22 24  10 o 34.991  4.3603  678.863    161.666  577.521    187.901  967.678    317.208  31.974  5.6315  41.182  7.3828  -9.208220      9.285399  
1 1 1 -22 24  11 o 118.651 3.1448  7660.41    404.148  7227.50    470.699  8874.88    788.387  115.130 3.7747  127.014 5.7308  -11.88382      6.862303  
1 1 1 -22 24  12 o 16.489  6.3120  104.257    157.532  160.351    179.862  -80.5090   326.431  18.721  6.8275  18.666  8.2408  0.5491257E-01  10.70165  
1 1 1 -22 24  13 o 120.461 3.0985  7901.45    404.271  7886.77    469.600  7943.50    794.554  120.233 3.6061  119.679 6.1504  0.5542068      7.129631  
1 1 1 -22 24  14 o 114.138 3.1595  7099.33    390.581  6899.55    454.809  7660.63    762.342  112.381 3.7365  117.464 6.0122  -5.083618      7.078687  
1 1 1 -22 24  15 o 74.654  3.3417  3041.09    270.201  3115.37    329.918  2889.78    470.892  75.320  4.0591  71.905  6.1040  3.414680       7.330412  
1 1 1 -22 24  16 o 57.704  3.9594  1832.76    245.964  1770.31    288.659  1998.28    469.941  56.505  4.7609  59.093  7.5121  -2.588078      8.893733  
1 1 1 -22 24  17 o 43.714  4.9804  1069.14    231.596  1051.56    274.501  1112.56    431.426  43.026  6.0582  42.987  9.5174  0.3837585E-01  11.28198  
1 1 1 -22 24  18 o 60.010  2.4355  1961.17    158.303  1622.74    289.685  2105.26    189.022  53.884  5.0214  62.118  2.8095  -8.233673      5.753923  
1 1 1 -22 24  19 o 68.426  3.6294  2577.89    268.026  2166.87    321.832  3508.22    484.192  62.326  4.8045  78.955  5.7003  -16.62889      7.454967  
1 1 1 -22 24  20 o 65.742  4.1145  2395.75    291.504  2455.55    369.825  2297.65    473.689  66.110  5.2070  62.998  7.0638  3.112022       8.775542  
1 1 1 -22 24  21 o 101.369 3.3850  5649.17    371.647  5885.76    580.689  5485.02    483.685  102.275 5.2599  99.320  4.4963  2.955467       6.919755  
1 1 1 -22 24  22 o 17.316  7.0654  89.201     209.359  194.490    358.004  34.480     258.091  22.683  9.2454  17.696  7.5709  4.987478       11.94974  
1 1 1 -22 24  23 f 23.129  7.8156  320.469    232.575  555.270    389.242  190.096    290.043  29.102  10.103  20.946  8.3986  8.155399       13.13767  
1 1 1 -22 24  24 o 14.913  6.7684  -79.9044   237.263  27.717     387.070  -144.6800  300.293  20.085  8.9149  16.011  7.3950  4.073601       11.58283  
1 1 1 -22 24  25 o 28.037  10.285  549.816    409.033  549.816    409.033  0.0000     0.0000   28.037  10.285  ?       ?       0.000000       10.28522  
1 1 1 -22 24  26 o 18.416  8.4799  -86.8789   390.562  -86.8789   390.562  0.0000     0.0000   18.416  8.4799  ?       ?       0.000000       8.479890  
1 1 1 -22 24  27 o 33.369  10.082  859.344    395.145  859.344    395.145  0.0000     0.0000   33.369  10.082  ?       ?       0.000000       10.08178  
1 1 1 -22 24  28 o 20.572  9.1766  122.496    415.375  122.496    415.375  0.0000     0.0000   20.572  9.1766  ?       ?       0.000000       9.176596  
1 1 1 -22 25  1  o 115.644 4.0421  7282.76    506.289  7282.76    506.289  0.0000     0.0000   115.644 4.0421  ?       ?       0.000000       4.042089  
1 1 1 -22 25  2  o 45.279  4.1762  1126.16    202.501  1126.16    202.501  0.0000     0.0000   45.279  4.1762  ?       ?       0.000000       4.176179  
1 1 1 -22 25  3  f 57.760  4.0667  1825.69    252.790  1825.69    252.790  0.0000     0.0000   57.760  4.0667  ?       ?       0.000000       4.066745  
1 1 1 -22 25  4  o 40.487  3.7944  899.837    164.447  951.842    176.149  546.979    458.835  41.627  3.9544  32.182  10.977  9.445335       11.66764  
1 1 1 -22 25  5  o 74.828  3.4556  3045.23    280.066  2850.93    324.756  3609.05    553.223  72.213  4.1699  80.810  6.3724  -8.596306      7.615481  
1 1 1 -22 25  6  o 52.843  3.8789  1528.73    220.454  1732.39    278.352  1186.01    361.092  56.151  4.6177  45.750  7.5506  10.40194       8.850742  
1 1 1 -22 25  7  o 15.513  5.7352  103.543    127.576  148.144    145.481  -44.9359   265.440  17.507  6.1700  17.267  7.5324  0.2405987      9.736837  
1 1 1 -22 25  8  o 53.398  2.2169  1547.26    128.218  1573.96    213.002  1532.09    160.569  53.637  3.6889  53.030  2.8055  0.6067543      4.634573  
1 1 1 -22 25  9  f 90.736  2.7516  4473.37    270.417  4158.11    333.369  5079.89    462.395  87.389  3.5221  96.441  4.4267  -9.051605      5.656934  
1 1 1 -22 25  10 o 68.384  3.0289  2543.26    224.339  2323.14    259.184  3200.79    447.957  65.189  3.6859  76.166  5.4664  -10.97652      6.592997  
1 1 1 -22 25  11 o 14.428  5.9938  29.241     154.270  78.197     186.896  -75.4361   273.287  16.816  6.7421  17.029  7.5280  -0.2129364     10.10577  
1 1 1 -22 25  12 o 100.565 3.1163  5505.24    339.436  5646.51    395.913  5113.32    659.444  101.761 3.5921  95.937  6.3828  5.824814       7.324116  
1 1 1 -22 25  13 o 118.735 3.1296  7678.63    402.479  7691.80    467.444  7640.88    791.392  118.719 3.6353  117.293 6.2520  1.426430       7.232084  
1 1 1 -22 25  14 o 97.735  3.0958  5204.55    327.711  5050.87    382.395  5629.59    635.936  96.163  3.6714  100.705 5.8556  -4.541878      6.911400  
1 1 1 -22 25  15 o 49.221  4.1332  1336.51    218.308  1315.28    250.675  1403.18    444.171  48.667  4.8190  49.018  8.6839  -0.3517380     9.931433  
1 1 1 -22 25  16 o 63.296  2.5603  2180.56    175.523  2133.42    294.147  2206.63    218.735  62.156  4.3976  63.587  3.1760  -1.430531      5.424588  
1 1 1 -22 25  17 o 66.605  3.5061  2434.24    252.041  2432.66    290.257  2439.09    508.178  66.439  4.0530  65.284  7.3124  1.154251       8.360500  
1 1 1 -22 25  18 o 54.918  4.1362  1668.96    244.220  1714.13    286.212  1548.00    468.353  55.453  4.8130  51.037  8.7897  4.415852       10.02120  
1 1 1 -22 25  19 o 49.723  4.4195  1377.11    235.531  1220.13    288.156  1693.11    408.833  46.284  5.8809  54.052  7.1595  -7.768066      9.265197  
1 1 1 -22 25  20 o 39.672  5.6337  899.530    235.269  944.730    299.286  826.418    380.635  40.072  7.1584  36.489  9.5280  3.582863       11.91748  
1 1 1 -22 25  21 o 80.304  3.5256  3551.11    306.649  3550.12    479.481  3551.79    398.890  79.109  5.6328  79.707  4.6406  -0.5979996     7.298181  
1 1 1 -22 25  22 f 37.643  5.8825  827.138    231.988  799.946    396.850  841.253    285.933  35.001  9.9807  37.266  7.3452  -2.264824      12.39219  
1 1 1 -22 25  23 o 43.452  5.1822  1093.88    239.076  1399.81    399.731  923.488    298.313  47.202  8.1110  38.620  7.4011  8.582401       10.98021  
1 1 1 -22 25  24 o 13.016  2.7304  96.821     37.263   93.618     37.540   311.802    307.589  12.785  2.7894  23.252  8.8392  -10.46675      9.268897  
1 1 1 -22 25  25 o 30.316  10.140  664.729    391.433  664.729    391.433  0.0000     0.0000   30.316  10.140  ?       ?       0.000000       10.13980  
1 1 1 -22 25  26 o 37.518  9.6189  1017.69    392.716  1017.69    392.716  0.0000     0.0000   37.518  9.6189  ?       ?       0.000000       9.618895  
1 1 1 -22 25  27 o 33.401  10.060  861.552    393.872  861.552    393.872  0.0000     0.0000   33.401  10.060  ?       ?       0.000000       10.05974  
1 1 1 -22 25  28 o 23.393  10.185  309.277    483.275  309.277    483.275  0.0000     0.0000   23.393  10.185  ?       ?       0.000000       10.18529  
1 1 1 -22 26  1  o 100.627 3.8789  5512.86    422.758  5512.86    422.758  0.0000     0.0000   100.627 3.8789  ?       ?       0.000000       3.878891  
1 1 1 -22 26  2  o 102.876 3.9176  5762.35    436.522  5762.35    436.522  0.0000     0.0000   102.876 3.9176  ?       ?       0.000000       3.917626  
1 1 1 -22 26  3  o 113.294 3.0009  6973.19    368.236  6764.01    414.437  7757.61    802.543  111.527 3.4309  118.708 6.2641  -7.180786      7.142110  
1 1 1 -22 26  4  o 44.729  3.7009  1096.17    177.686  1160.80    191.977  709.948    469.320  46.011  3.8887  35.429  11.041  10.58231       11.70549  
1 1 1 -22 26  5  o 45.358  3.8880  1128.47    189.161  1233.79    228.395  898.436    337.544  47.344  4.5085  39.561  8.1488  7.782459       9.312834  
1 1 1 -22 26  6  o 54.250  3.7076  1609.57    216.547  1724.32    267.013  1389.06    370.133  56.045  4.4349  49.703  7.0753  6.342201       8.350326  
1 1 1 -22 26  7  f 83.894  2.8774  3824.19    261.454  3972.70    302.359  3384.00    520.550  85.467  3.2663  78.217  6.1952  7.249741       7.003540  
1 1 1 -22 26  8  o 113.047 3.0180  6947.29    369.531  7072.38    428.195  6582.30    731.446  113.990 3.4682  109.197 6.2101  4.792686       7.112924  
1 1 1 -22 26  9  o 60.633  3.1840  2005.40    208.367  2069.31    242.501  1825.11    407.312  61.525  3.6555  57.114  6.7123  4.410656       7.643178  
1 1 1 -22 26  10 o 73.634  2.5514  2945.27    203.482  3110.36    273.050  2739.08    305.152  75.588  3.3352  70.742  3.9990  4.845505       5.207251  
1 1 1 -22 26  11 o 21.757  6.1178  268.381    150.189  166.199    175.703  545.589    289.397  18.791  6.7636  30.704  8.4404  -11.91308      10.81606  
1 1 1 -22 26  12 o 53.105  3.6714  1545.62    209.876  1681.06    243.020  1148.20    416.293  55.318  4.0850  44.366  8.9715  10.95141       9.857739  
1 1 1 -22 26  13 o 69.801  3.3561  2656.34    253.729  2250.31    297.758  3732.84    484.836  63.963  4.3234  82.113  5.4830  -18.14987      6.982490  
1 1 1 -22 26  14 o 48.576  3.8578  1297.99    201.299  1307.34    233.966  1271.32    394.966  48.619  4.4939  46.895  8.0671  1.723949       9.234318  
1 1 1 -22 26  15 o 31.729  5.8078  574.432    192.234  615.317    223.303  457.403    377.794  32.681  6.5368  28.958  9.9585  3.722923       11.91229  
1 1 1 -22 26  16 o 89.081  3.2669  4333.33    315.200  3873.85    366.262  5645.23    618.883  84.046  4.0235  100.679 5.6988  -16.63304      6.976007  
1 1 1 -22 26  17 o 53.342  3.9445  1570.07    226.275  1386.91    259.478  2151.50    462.316  49.870  4.8659  61.342  7.0889  -11.47276      8.598249  
1 1 1 -22 26  18 o 35.769  6.0468  735.014    225.913  683.106    267.716  863.396    421.025  34.006  7.4726  37.432  10.135  -3.426571      12.59233  
1 1 1 -22 26  19 o 40.473  5.3035  928.373    226.897  998.929    273.626  773.075    405.954  41.664  6.2568  35.291  10.105  6.372971       11.88539  
1 1 1 -22 26  20 o 54.860  4.3746  1676.68    257.773  1582.01    321.634  1846.69    431.012  52.762  5.7198  56.300  7.2357  -3.537994      9.223483  
1 1 1 -22 26  21 o 62.169  3.9307  2145.97    263.310  2263.17    418.355  2069.09    338.842  62.709  6.2424  60.475  5.2244  2.234699       8.140168  
1 1 1 -22 26  22 o 16.151  6.8662  33.457     209.835  30.079     367.993  35.084     255.429  20.353  8.8741  17.566  7.5240  2.786947       11.63445  
1 1 1 -22 26  23 o 25.123  7.6179  395.125    225.308  279.268    394.282  451.301    274.550  23.969  9.7281  26.582  8.4662  -2.612986      12.89618  
1 1 1 -22 26  24 o 19.005  7.9389  118.891    272.785  92.001     367.710  151.801    406.798  20.509  8.9070  21.978  9.4565  -1.468489      12.99078  
1 1 1 -22 26  25 o 50.613  7.6749  1636.86    407.538  1636.86    407.538  0.0000     0.0000   50.613  7.6749  ?       ?       0.000000       7.674945  
1 1 1 -22 26  26 o 30.407  10.068  694.166    386.191  694.166    386.191  0.0000     0.0000   30.407  10.068  ?       ?       0.000000       10.06817  
1 1 1 -22 26  27 o 19.700  3.1654  222.499    65.252   222.499    65.252   0.0000     0.0000   19.700  3.1654  ?       ?       0.000000       3.165370  
1 1 1 -22 26  28 o 19.007  8.8434  -72.4575   441.450  -72.4575   441.450  0.0000     0.0000   19.007  8.8434  ?       ?       0.000000       8.843422  
1 1 1 -22 27  1  o 115.882 4.0183  7315.42    504.341  7315.42    504.341  0.0000     0.0000   115.882 4.0183  ?       ?       0.000000       4.018268  
1 1 1 -22 27  2  o 27.749  4.7797  432.145    138.470  366.390    146.087  1013.86    434.510  25.395  5.4725  41.748  9.7806  -16.35299      11.20756  
1 1 1 -22 27  3  o 124.949 3.0013  8482.70    406.173  8171.37    458.875  9609.33    872.920  122.569 3.4566  132.311 6.0913  -9.742760      7.003654  
1 1 1 -22 27  4  o 71.239  2.7867  2756.31    215.022  2799.70    243.299  2601.52    459.537  71.771  3.1299  68.540  6.2593  3.230682       6.998194  
1 1 1 -22 27  5  o 76.599  3.2670  3190.47    271.043  3465.50    328.318  2601.90    480.295  79.776  3.7997  68.458  6.5579  11.31789       7.579154  
1 1 1 -22 27  6  o 41.453  4.2244  946.640    187.019  1232.43    229.231  377.752    323.418  47.303  4.5296  26.947  9.2159  20.35504       10.26886  
1 1 1 -22 27  7  o 114.893 3.0026  7175.13    373.649  7182.44    431.273  7153.12    748.235  114.881 3.4660  113.911 6.0866  0.9698868      7.004310  
1 1 1 -22 27  8  o 23.423  5.5322  312.944    138.110  256.724    158.704  488.377    280.350  21.435  6.3699  29.232  8.4057  -7.796995      10.54656  
1 1 1 -22 27  9  o 61.855  3.0329  2080.67    203.191  2070.77    234.988  2109.99    404.511  61.561  3.5392  61.602  6.1447  -0.4110718E-01 7.091021  
1 1 1 -22 27  10 o 72.155  3.0563  2832.14    238.858  2756.66    278.970  3039.46    462.346  71.030  3.6383  74.105  5.8068  -3.074852      6.852477  
1 1 1 -22 27  11 o 25.419  1.3296  351.192    36.478   262.643    188.194  354.649    37.183   21.941  7.0117  25.543  1.3488  -3.602121      7.140208  
1 1 1 -22 27  12 o 51.030  3.8477  1429.75    211.103  1526.53    247.102  1168.28    406.158  52.637  4.3739  44.832  8.6780  7.804630       9.717995  
1 1 1 -22 27  13 o 46.860  4.2012  1211.33    210.966  1191.93    249.808  1259.57    393.933  46.290  5.0652  46.713  8.0784  -0.4230118     9.534985  
1 1 1 -22 27  14 o 58.411  3.5809  1869.98    225.450  1785.10    263.642  2100.94    434.896  56.911  4.3090  61.068  6.6842  -4.156380      7.952771  
1 1 1 -22 27  15 o 26.726  6.2007  412.663    176.021  256.448    205.257  846.867    342.203  21.894  7.3425  37.882  8.5438  -15.98804      11.26539  
1 1 1 -22 27  16 o 34.345  5.4059  668.332    194.450  595.388    220.370  924.843    413.247  32.070  6.5653  39.130  9.7781  -7.060249      11.77770  
1 1 1 -22 27  17 o 68.905  3.4727  2605.31    258.339  2533.26    316.427  2749.34    447.377  67.695  4.3385  69.917  5.9648  -2.222626      7.375719  
1 1 1 -22 27  18 o 53.516  4.2918  1588.69    246.671  1350.49    290.521  2203.98    466.929  48.903  5.5851  61.936  7.0881  -13.03280      9.024154  
1 1 1 -22 27  19 o 15.720  6.6753  20.193     197.929  -49.3731   230.018  218.655    388.508  15.642  6.9110  24.166  9.7094  -8.524011      11.91783  
1 1 1 -22 27  20 o 34.260  1.8851  640.285    69.680   720.635    265.783  634.355    72.206   34.820  7.2815  34.090  1.9639  0.7300339      7.541709  
1 1 1 -22 27  21 o 65.283  3.8707  2364.92    272.469  3040.99    446.427  1963.57    343.963  73.083  5.6845  58.757  5.4676  14.32659       7.887207  
1 1 1 -22 27  22 o 30.310  2.0996  503.796    68.502   704.304    373.087  496.801    69.687   32.801  9.7709  30.088  2.1526  2.712662       10.00516  
1 1 1 -22 27  23 o 86.092  3.5568  4130.30    331.665  4608.58    527.881  3818.35    426.318  89.081  5.4981  81.684  4.8402  7.396545       7.325064  
1 1 1 -22 27  24 o 36.242  7.4404  831.584    282.282  1028.16    404.320  644.649    394.284  38.528  9.6964  30.249  10.176  8.278820       14.05628  
1 1 1 -22 27  25 o 50.768  8.1009  1674.77    430.471  1674.77    430.471  0.0000     0.0000   50.768  8.1009  ?       ?       0.000000       8.100948  
1 1 1 -22 27  26 o 38.369  10.593  1129.84    454.679  1129.84    454.679  0.0000     0.0000   38.369  10.593  ?       ?       0.000000       10.59287  
1 1 1 -22 27  27 o 23.192  9.8943  304.801    438.559  304.801    438.559  0.0000     0.0000   23.192  9.8943  ?       ?       0.000000       9.894279  
1 1 1 -22 27  28 o 31.710  10.972  853.548    458.950  853.548    458.950  0.0000     0.0000   31.710  10.972  ?       ?       0.000000       10.97208  
1 1 1 -22 28  1  o 78.301  2.8020  3330.20    237.630  3284.75    261.167  3548.80    572.774  77.739  3.1018  80.014  6.6699  -2.275101      7.355882  
1 1 1 -22 28  2  o 49.901  3.0565  1358.33    164.402  1339.00    175.196  1500.85    475.723  49.516  3.2853  51.210  8.8999  -1.693775      9.486934  
1 1 1 -22 28  3  o 88.639  2.7728  4267.27    266.199  4262.17    302.936  4284.55    557.693  88.548  3.1587  88.186  5.8724  0.3615189      6.667990  
1 1 1 -22 28  4  o 85.430  2.7749  3964.07    256.758  4084.26    292.005  3554.42    539.089  86.683  3.1102  80.183  6.2569  6.499763       6.987282  
1 1 1 -22 28  5  o 130.936 3.1072  9319.66    440.653  9817.04    506.926  7781.77    891.386  134.320 3.4845  118.554 6.9726  15.76526       7.794779  
1 1 1 -22 28  6  o 98.104  3.7632  5241.91    399.867  6096.69    611.720  4604.17    528.384  105.356 5.3786  91.525  5.3534  13.83054       7.588759  
1 1 1 -22 28  7  o 86.218  2.6520  4037.59    247.656  4082.36    308.958  3957.11    414.220  86.625  3.2929  84.999  4.5155  1.626038       5.588668  
1 1 1 -22 28  8  o 29.352  4.6826  482.462    143.863  447.152    165.075  593.982    293.365  28.055  5.6282  32.040  8.3640  -3.984184      10.08136  
1 1 1 -22 28  9  o 64.594  2.5107  2266.14    175.653  2615.24    261.560  1979.37    237.064  69.209  3.5007  60.161  3.6554  9.047092       5.061340  
1 1 1 -22 28  10 o 26.478  6.0811  401.543    170.720  452.534    207.367  294.282    300.753  28.040  6.8797  24.621  8.8503  3.418896       11.20975  
1 1 1 -22 28  11 o 61.509  3.4800  2068.39    230.888  1991.50    270.354  2275.60    443.809  60.227  4.1702  63.806  6.5132  -3.579296      7.733864  
1 1 1 -22 28  12 o 18.486  6.5265  167.362    162.852  161.464    186.842  186.009    332.209  18.907  6.9491  22.995  9.0632  -4.087326      11.42062  
1 1 1 -22 28  13 o 44.933  4.1398  1114.03    199.204  1199.98    231.734  870.737    389.882  46.537  4.6602  38.325  9.4518  8.211987       10.53816  
1 1 1 -22 28  14 o 96.221  2.9684  5043.39    309.355  4901.19    386.361  5297.41    516.385  94.686  3.7674  98.134  4.8583  -3.448196      6.147865  
1 1 1 -22 28  15 o 83.336  3.1862  3788.95    287.587  3913.04    337.208  3457.94    550.766  84.585  3.6807  78.442  6.5423  6.143143       7.506588  
1 1 1 -22 28  16 o 50.205  3.9932  1391.10    215.348  1328.75    245.055  1602.49    451.233  48.887  4.6855  52.453  8.2120  -3.566204      9.454673  
1 1 1 -22 28  17 o 32.303  6.1995  602.651    209.020  759.058    242.952  157.089    410.060  36.282  6.4172  23.859  9.8292  12.42235       11.73853  
1 1 1 -22 28  18 o 76.504  4.0452  3230.35    334.001  3267.30    415.438  3162.82    561.662  76.548  5.0389  74.292  7.0651  2.255394       8.677958  
1 1 1 -22 28  19 o 27.833  2.0752  423.848    62.109   690.948    254.733  406.965    64.042   34.206  7.1078  27.254  2.1880  6.951944       7.436965  
1 1 1 -22 28  20 o 50.951  4.4429  1450.02    242.727  1546.32    299.107  1264.31    415.386  52.276  5.3583  45.646  8.7199  6.630207       10.23463  
1 1 1 -22 28  21 o 24.355  7.4844  352.129    216.527  330.441    368.722  363.544    267.510  25.388  9.6716  24.974  8.3823  0.4143028      12.79852  
1 1 1 -22 28  22 o 15.937  6.8143  26.334     208.861  -176.6320  355.688  133.149    258.032  17.524  8.0778  19.340  7.8622  -1.816353      11.27227  
1 1 1 -22 28  23 o 65.675  2.7653  2377.60    196.700  2461.77    433.393  2355.76    220.745  64.275  6.3066  65.214  3.1252  -0.9382706     7.038492  
1 1 1 -22 28  24 o 35.447  7.3143  793.157    271.498  806.800    372.488  777.695    396.553  34.020  9.6586  33.049  10.124  0.9709358      13.99234  
1 1 1 -22 28  25 o 22.019  9.3871  194.738    394.247  194.738    394.247  0.0000     0.0000   22.019  9.3871  ?       ?       0.000000       9.387097  
1 1 1 -22 28  26 o 24.394  10.093  364.308    434.887  364.308    434.887  0.0000     0.0000   24.394  10.093  ?       ?       0.000000       10.09268  
1 1 1 -22 28  27 o 46.425  9.7364  1587.86    473.944  1587.86    473.944  0.0000     0.0000   46.425  9.7364  ?       ?       0.000000       9.736410  
1 1 1 -22 29  1  o 55.124  2.9625  1655.95    176.230  1579.24    188.936  2169.43    488.816  53.792  3.2582  62.221  7.3984  -8.428497      8.084074  
1 1 1 -22 29  2  o 42.870  3.0159  1003.68    139.143  970.003    152.460  1171.58    340.418  42.096  3.3722  45.551  7.1342  -3.454861      7.891013  
1 1 1 -22 29  3  o 101.212 2.8786  5565.51    315.559  5931.58    360.479  4365.14    652.763  104.450 3.1864  88.724  6.8456  15.72588       7.550901  
1 1 1 -22 29  4  o 117.882 2.9703  7551.73    379.241  7537.52    434.434  7597.22    777.450  117.707 3.4076  117.421 6.1343  0.2858429      7.017241  
1 1 1 -22 29  5  o 36.691  3.6659  740.191    143.734  785.581    161.724  569.542    313.577  37.755  4.0165  31.483  8.8354  6.272690       9.705468  
1 1 1 -22 29  6  o 113.339 3.4270  6990.54    420.686  7103.21    512.597  6758.08    736.281  114.120 4.1471  110.674 6.1667  3.445168       7.431498  
1 1 1 -22 29  7  o 123.511 3.5246  8305.74    471.509  8935.21    577.149  7042.49    817.612  127.970 4.1640  112.748 6.7259  15.22161       7.910500  
1 1 1 -22 29  8  o 86.195  2.8477  4038.23    265.853  3904.14    305.696  4454.37    538.551  84.694  3.3325  89.902  5.5580  -5.207703      6.480524  
1 1 1 -22 29  9  o 94.718  2.9334  4878.24    300.938  5054.19    349.623  4375.12    591.205  96.352  3.3502  88.882  6.1796  7.469261       7.029317  
1 1 1 -22 29  10 o 7.8124  2.4580  32.694     23.199   -150.2920  165.659  36.354     23.430   11.610  5.4070  8.1512  2.4532  3.459292       5.937544  
1 1 1 -22 29  11 o 50.820  3.6494  1415.78    199.537  1437.30    228.649  1347.04    408.637  51.114  4.1663  48.449  8.0711  2.664555       9.083023  
1 1 1 -22 29  12 o 53.768  3.5862  1584.35    207.648  1622.72    239.504  1468.19    416.690  54.321  4.1010  50.626  7.8536  3.694870       8.859885  
1 1 1 -22 29  13 o 47.504  3.9150  1241.99    199.640  1119.36    230.549  1609.57    399.153  44.891  4.8170  53.257  7.0964  -8.366070      8.576839  
1 1 1 -22 29  14 o 29.341  6.3369  496.359    195.496  547.795    234.719  379.861    353.242  30.683  7.1886  27.077  9.6065  3.606108       11.99843  
1 1 1 -22 29  15 o 20.238  6.8934  214.721    180.944  276.525    214.755  63.475     335.951  22.586  7.5094  20.854  8.7669  1.732157       11.54338  
1 1 1 -22 29  16 o 40.536  4.9182  920.074    211.508  984.956    249.539  754.532    398.591  41.746  5.6653  35.339  9.9768  6.406952       11.47307  
1 1 1 -22 29  17 o 114.074 3.2316  7115.28    399.274  7015.29    462.818  7406.27    789.528  113.071 3.7791  114.644 6.3837  -1.573257      7.418417  
1 1 1 -22 29  18 o 84.014  3.4605  3869.66    314.892  3547.27    369.965  4717.23    599.864  80.073  4.2814  91.419  6.0932  -11.34586      7.446932  
1 1 1 -22 29  19 o 32.473  6.9861  622.916    238.422  542.529    289.440  792.599    420.518  29.980  8.5149  35.606  10.311  -5.625605      13.37234  
1 1 1 -22 29  20 o 37.301  5.8902  802.868    230.072  939.217    278.772  511.622    407.430  40.095  6.6526  29.508  10.331  10.58654       12.28736  
1 1 1 -22 29  21 o 58.117  4.4699  1894.35    279.211  2165.76    356.926  1466.37    448.212  61.692  5.3959  48.737  8.8155  12.95554       10.33579  
1 1 1 -22 29  22 o 18.221  7.2411  131.789    213.684  64.079     370.000  165.674    261.748  20.687  8.9595  20.024  7.9963  0.6632462      12.00885  
1 1 1 -22 29  23 o 26.820  7.3452  454.673    219.642  807.312    354.825  235.607    279.664  34.568  9.2814  21.457  8.3571  13.11135       12.48942  
1 1 1 -22 29  24 f 19.322  8.6851  -18.1443   379.738  -18.1443   379.738  0.0000     0.0000   19.322  8.6851  ?       ?       0.000000       8.685070  
1 1 1 -22 29  25 o 22.512  9.6277  211.575    417.088  211.575    417.088  0.0000     0.0000   22.512  9.6277  ?       ?       0.000000       9.627722  
1 1 1 -22 29  26 o 17.351  8.3370  -365.4916  456.708  -365.4916  456.708  0.0000     0.0000   17.351  8.3370  ?       ?       0.000000       8.337016  
1 1 1 -22 29  27 o 20.073  9.2540  -10.4757   467.013  -10.4757   467.013  0.0000     0.0000   20.073  9.2540  ?       ?       0.000000       9.253983  
1 1 1 -22 30  1  o 128.710 3.0375  9004.78    423.450  9113.02    484.767  8656.26    869.857  129.410 3.4586  125.232 6.4347  4.177826       7.305304  
1 1 1 -22 30  2  o 147.110 3.1724  11767.10   505.470  11472.60   579.661  12701.73   1032.65  145.156 3.6870  151.957 6.2742  -6.801468      7.277350  
1 1 1 -22 30  3  o 163.051 3.4478  14466.07   608.885  14918.86   700.275  13063.02   1232.71  165.472 3.9073  153.631 7.4082  11.84067       8.375434  
1 1 1 -22 30  4  o 104.331 2.8581  5914.29    322.965  5840.13    368.975  6157.26    667.869  103.619 3.2876  105.741 5.8543  -2.121376      6.714254  
1 1 1 -22 30  5  o 107.625 2.8703  6294.30    334.584  6349.86    383.243  6116.22    686.097  108.044 3.2750  105.314 6.0402  2.729881       6.870888  
1 1 1 -22 30  6  o 35.321  4.5161  692.307    168.813  662.034    201.701  763.104    308.457  34.303  5.6237  36.361  8.0454  -2.057362      9.816022  
1 1 1 -22 30  7  o 63.133  3.4981  2176.81    238.265  2184.56    290.716  2160.95    415.846  63.115  4.2780  62.336  6.2431  0.7790604      7.568189  
1 1 1 -22 30  8  o 110.567 2.9606  6647.29    354.549  6953.69    410.340  5744.70    704.271  113.023 3.3520  101.841 6.4176  11.18122       7.240283  
1 1 1 -22 30  9  o 81.149  2.9421  3581.10    258.588  3654.66    300.606  3371.78    507.115  81.923  3.3878  77.999  6.0501  3.924133       6.934026  
1 1 1 -22 30  10 o 101.085 2.9977  5559.25    328.207  5357.50    376.740  6194.46    668.488  99.149  3.5082  105.868 5.8526  -6.718430      6.823513  
1 1 1 -22 30  11 o 44.216  3.9627  1076.29    187.764  1040.04    214.251  1196.29    389.848  43.328  4.6375  45.534  8.2067  -2.205570      9.426369  
1 1 1 -22 30  12 o 65.216  3.2542  2317.96    229.860  2283.53    264.711  2423.50    463.463  64.546  3.8033  65.737  6.5984  -1.190948      7.615992  
1 1 1 -22 30  13 o 93.437  3.0767  4756.58    311.367  4561.23    361.109  5322.77    614.771  91.386  3.6483  97.922  5.8227  -6.536133      6.871201  
1 1 1 -22 30  14 o 89.442  3.2678  4364.48    316.571  4182.91    373.527  4827.42    596.440  87.415  3.9452  93.104  5.9457  -5.688705      7.135504  
1 1 1 -22 30  15 o 27.452  6.4182  437.068    187.418  361.413    222.114  624.090    349.224  25.112  7.5523  32.437  9.3973  -7.324585      12.05597  
1 1 1 -22 30  16 o 8.2365  2.7158  35.237     28.110   315.026    217.750  30.495     28.347   23.665  7.5400  7.8824  2.7269  15.78240       8.017962  
1 1 1 -22 30  17 f 16.490  6.7607  62.502     192.847  -45.2164   221.620  398.413    391.361  15.469  6.8116  27.613  10.071  -12.14459      12.15829  
1 1 1 -22 30  18 o 36.770  5.7820  774.103    222.673  619.278    260.030  1199.83    431.189  32.261  7.5717  44.438  9.2590  -12.17686      11.96076  
1 1 1 -22 30  19 o 113.739 3.3224  7094.24    409.288  6370.59    477.103  9110.92    796.462  107.432 4.1002  127.300 5.7765  -19.86806      7.083770  
1 1 1 -22 30  20 o 71.341  3.7317  2813.35    287.348  2515.76    337.694  3594.17    547.006  67.061  4.6785  79.145  6.4369  -12.08326      7.957566  
1 1 1 -22 30  21 o 35.318  6.7612  743.242    249.215  974.829    332.470  446.238    376.510  39.943  7.9643  27.564  9.9031  12.37966       12.70829  
1 1 1 -22 30  22 o 35.198  6.0939  736.839    223.907  908.756    363.647  631.865    284.159  37.352  9.0776  31.495  8.2365  5.857403       12.25735  
1 1 1 -22 30  23 o 71.579  3.6385  2869.86    281.151  3380.99    486.969  2614.31    344.338  75.627  5.9941  67.536  4.7374  8.091179       7.640149  
1 1 1 -22 30  24 o 38.318  10.743  1078.64    463.834  1078.64    463.834  0.0000     0.0000   38.318  10.743  ?       ?       0.000000       10.74287  
1 1 1 -22 30  25 o 20.152  9.1915  -27.8622   444.474  -27.8622   444.474  0.0000     0.0000   20.152  9.1915  ?       ?       0.000000       9.191485  
1 1 1 -22 30  26 o 54.433  9.0436  2055.37    514.474  2055.37    514.474  0.0000     0.0000   54.433  9.0436  ?       ?       0.000000       9.043601  
1 1 1 -22 30  27 o 27.702  10.623  606.524    446.636  606.524    446.636  0.0000     0.0000   27.702  10.623  ?       ?       0.000000       10.62266  
1 1 1 -22 31  1  o 112.932 2.9067  6930.91    355.542  7079.92    405.770  6438.34    737.765  114.084 3.2839  107.963 6.3369  6.120918       7.137270  
1 1 1 -22 31  2  o 129.922 3.1015  9177.47    436.439  9210.19    491.636  9055.82    948.015  130.085 3.4894  127.904 6.8684  2.181732       7.703908  
1 1 1 -22 31  3  o 89.545  2.7737  4356.11    269.013  4453.81    305.528  4019.05    567.456  90.506  3.1168  85.263  6.1869  5.243309       6.927590  
1 1 1 -22 31  4  o 94.967  2.8074  4900.23    288.770  4838.00    328.715  5110.62    604.404  94.314  3.2179  96.295  5.8224  -1.981758      6.652426  
1 1 1 -22 31  5  o 36.179  4.2257  723.752    162.468  487.234    190.259  1360.62    312.205  29.220  6.2034  49.412  5.9535  -20.19136      8.598013  
1 1 1 -22 31  6  o 48.077  3.7058  1266.66    191.482  1305.62    229.446  1177.26    347.551  48.701  4.3973  45.568  7.2874  3.132793       8.511338  
1 1 1 -22 31  7  o 167.483 4.0654  15304.75   737.473  15693.12   902.735  14525.50   1278.71  169.301 4.9230  161.831 7.2952  7.469635       8.800940  
1 1 1 -22 31  8  o 220.220 4.1213  26472.96   983.025  27640.79   1135.59  22981.51   1963.51  224.775 4.6645  202.221 8.9647  22.55402       10.10561  
1 1 1 -22 31  9  o 135.182 3.2822  9949.11    480.561  9799.60    544.597  10475.06   1021.45  134.053 3.7508  137.486 6.8594  -3.432877      7.817937  
1 1 1 -22 31  10 o 101.640 3.0646  5622.31    337.372  5517.11    390.158  5934.09    671.684  100.594 3.5810  103.529 6.0160  -2.935394      7.001118  
1 1 1 -22 31  11 o 94.490  2.8469  4857.54    291.362  4762.15    361.232  5035.12    492.892  93.434  3.5695  95.808  4.7498  -2.374123      5.941576  
1 1 1 -22 31  12 o 59.338  3.6060  1928.89    230.654  2022.42    270.232  1677.89    442.690  60.657  4.1380  54.185  7.7651  6.471844       8.798862  
1 1 1 -22 31  13 o 93.152  3.0913  4728.52    311.887  4932.42    361.665  4136.95    616.028  95.053  3.5129  85.925  6.6716  9.127945       7.539941  
1 1 1 -22 31  14 o 39.315  4.5254  859.862    189.185  849.516    217.854  891.593    381.529  38.883  5.3119  38.703  9.2310  0.1796989      10.65026  
1 1 1 -22 31  15 o 39.451  4.9207  871.311    205.687  777.623    244.894  1095.68    378.979  36.834  6.3690  43.157  8.4098  -6.323753      10.54936  
1 1 1 -22 31  16 o 30.978  6.0192  552.899    194.681  470.358    231.882  750.043    358.361  28.281  7.4619  35.273  9.2618  -6.991980      11.89372  
1 1 1 -22 31  17 o 63.870  3.7616  2246.54    259.073  2132.15    300.592  2576.95    510.874  61.992  4.5077  67.040  7.1459  -5.047855      8.448833  
1 1 1 -22 31  18 o 50.777  4.4252  1435.64    240.937  1257.93    282.414  1910.87    461.836  47.096  5.6492  57.230  7.6415  -10.13462      9.502919  
1 1 1 -22 31  19 o 50.790  4.4855  1439.69    244.214  1539.95    286.484  1173.12    467.126  52.313  5.1219  43.310  10.137  9.002670       11.35780  
1 1 1 -22 31  20 o 34.305  6.2407  688.101    223.332  731.051    260.867  570.227    432.160  35.034  7.1176  30.674  10.645  4.360241       12.80542  
1 1 1 -22 31  21 o 28.963  7.8140  517.019    250.782  575.533    322.758  427.873    398.382  30.198  9.1090  27.297  10.126  2.900820       13.62030  
1 1 1 -22 31  22 o 28.032  7.2455  488.896    221.585  173.484    368.520  667.506    277.316  22.079  9.2255  32.457  7.9512  -10.37851      12.17912  
1 1 1 -22 31  23 o 28.960  8.3784  549.300    277.774  433.203    406.665  650.842    380.319  26.405  10.134  30.661  9.9836  -4.255960      14.22540  
1 1 1 -22 31  24 o 38.240  10.207  1048.30    430.637  1048.30    430.637  0.0000     0.0000   38.240  10.207  ?       ?       0.000000       10.20676  
1 1 1 -22 31  25 o 34.130  10.647  890.464    436.301  890.464    436.301  0.0000     0.0000   34.130  10.647  ?       ?       0.000000       10.64672  
1 1 1 -22 31  26 o ?       ?       -181.8590  40.701   -181.8590  40.701   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -22 31  27 o 22.328  9.8878  204.284    473.476  204.284    473.476  0.0000     0.0000   22.328  9.8878  ?       ?       0.000000       9.887808  
1 1 1 -22 32  1  o 114.593 2.9406  7137.71    364.975  7599.25    419.383  5697.03    740.948  118.187 3.2762  101.358 6.7885  16.82926       7.537760  
1 1 1 -22 32  2  o 93.646  2.7528  4764.46    279.214  4796.50    316.422  4651.73    593.468  93.919  3.1106  91.793  6.0022  2.125275       6.760385  
1 1 1 -22 32  3  o 110.736 2.8536  6663.75    342.259  6693.56    394.518  6573.08    688.131  110.921 3.2838  109.231 5.8375  1.689514       6.697785  
1 1 1 -22 32  4  o 165.292 3.3903  14869.11   606.964  14511.36   697.466  15985.50   1232.10  163.148 3.9470  170.180 6.6845  -7.031052      7.762824  
1 1 1 -22 32  5  o 78.836  2.7415  3376.89    234.089  3146.12    266.008  4169.09    492.864  76.046  3.2296  87.062  5.2513  -11.01624      6.164928  
1 1 1 -22 32  6  o 56.085  3.0045  1715.24    181.849  1736.30    206.931  1643.82    381.066  56.375  3.4050  54.182  6.6319  2.192928       7.454950  
1 1 1 -22 32  7  o 16.892  6.4050  113.641    161.238  153.750    200.070  39.320     272.343  19.100  7.1581  18.840  7.9056  0.2591457      10.66473  
1 1 1 -22 32  8  o 64.959  3.0549  2295.43    214.935  2284.76    242.175  2334.99    466.469  64.675  3.4699  64.627  6.7643  0.4745483E-01  7.602309  
1 1 1 -22 32  9  o 47.604  3.7588  1243.62    192.228  1272.51    218.855  1146.10    402.114  48.071  4.2471  44.471  8.6599  3.600693       9.645285  
1 1 1 -22 32  10 f 18.809  6.3305  184.110    152.582  158.914    170.750  283.969    339.933  18.437  6.6632  25.061  9.3426  -6.624043      11.47526  
1 1 1 -22 32  11 o 64.500  3.3331  2273.63    232.055  2289.63    267.762  2225.36    465.112  64.632  3.8423  62.870  6.9464  1.761528       7.938256  
1 1 1 -22 32  12 o 42.872  4.1357  1014.98    189.659  1129.21    217.337  650.206    388.366  45.164  4.5030  33.330  9.9781  11.83458       10.94714  
1 1 1 -22 32  13 f 57.919  3.7424  1841.12    233.517  2050.29    276.117  1315.75    437.598  61.032  4.2027  47.407  8.8479  13.62483       9.795290  
1 1 1 -22 32  14 o 84.842  3.1541  3926.58    289.838  3667.49    336.867  4665.02    568.719  81.862  3.7993  91.538  5.7657  -9.675949      6.904904  
1 1 1 -22 32  15 o 54.727  3.7122  1647.17    218.739  1584.36    254.137  1826.69    429.668  53.496  4.4259  56.527  7.1798  -3.031479      8.434348  
1 1 1 -22 32  16 f 67.431  3.5843  2497.39    260.840  2608.12    310.966  2234.56    479.101  68.737  4.1970  62.446  7.2165  6.291451       8.348219  
1 1 1 -22 32  17 o 63.526  2.3705  2197.47    163.102  1581.81    288.375  2487.05    197.774  53.158  5.0701  67.527  2.7041  -14.36834      5.746108  
1 1 1 -22 32  18 o 50.016  4.5836  1396.37    245.541  1348.12    289.165  1521.07    464.888  48.794  5.5714  50.334  8.8505  -1.539806      10.45815  
1 1 1 -22 32  19 o 34.514  6.3199  693.566    227.549  811.007    268.739  396.090    427.707  37.153  6.9332  27.688  10.448  9.464983       12.53896  
1 1 1 -22 32  20 o 52.832  2.3640  1523.23    135.271  1351.83    298.308  1567.60    151.773  48.561  5.7856  53.550  2.6168  -4.989128      6.349813  
1 1 1 -22 32  21 o 76.573  3.1815  3230.63    263.868  3560.77    428.026  3028.24    335.125  79.257  5.0120  73.548  4.2246  5.708099       6.554949  
1 1 1 -22 32  22 o 50.619  4.4144  1455.68    239.601  1133.71    451.592  1581.83    282.668  40.642  10.258  52.418  5.0409  -11.77631      11.42976  
1 1 1 -22 32  23 o 52.904  5.5091  1641.08    311.043  2007.06    436.805  1264.61    443.023  57.073  7.2281  43.046  9.7308  14.02726       12.12163  
1 1 1 -22 32  24 o 21.061  9.2580  93.372     407.843  93.372     407.843  0.0000     0.0000   21.061  9.2580  ?       ?       0.000000       9.258000  
1 1 1 -22 32  25 o 44.774  9.6166  1416.62    452.442  1416.62    452.442  0.0000     0.0000   44.774  9.6166  ?       ?       0.000000       9.616570  
1 1 1 -22 32  26 o 31.274  11.168  806.674    478.176  806.674    478.176  0.0000     0.0000   31.274  11.168  ?       ?       0.000000       11.16828  
1 1 1 -22 32  27 o 21.853  9.6092  194.634    439.673  194.634    439.673  0.0000     0.0000   21.853  9.6092  ?       ?       0.000000       9.609169  
1 1 1 -22 33  1  o 10.049  4.6020  -78.6399   112.901  23.381     124.620  -545.8571  266.687  12.993  5.3915  11.981  5.8910  1.012108       7.985722  
1 1 1 -22 33  2  o 16.629  5.6976  139.358    123.619  199.577    137.236  -119.7040  284.645  19.117  5.9724  16.828  7.5451  2.288008       9.622839  
1 1 1 -22 33  3  o 100.701 2.8483  5511.23    310.660  5713.65    353.567  4825.74    650.635  102.488 3.1851  93.331  6.4764  9.156586       7.217283  
1 1 1 -22 33  4  o 57.269  2.8553  1782.53    177.109  1877.02    197.811  1400.66    397.657  58.664  3.1245  49.690  7.6328  8.973415       8.247509  
1 1 1 -22 33  5  o 3.9295  1.8224  -16.3335   18.518   -7.1843    119.581  -16.5583   18.744   11.965  5.1372  3.9522  1.8332  8.013138       5.454478  
1 1 1 -22 33  6  o 44.184  3.2796  1068.23    155.827  1085.57    175.977  1005.22    335.370  44.484  3.6856  41.913  7.6703  2.571198       8.509848  
1 1 1 -22 33  7  o 143.388 4.7502  11253.24   737.724  12774.53   991.852  9369.56    1103.68  152.289 6.0132  129.411 7.9121  22.87785       9.937829  
1 1 1 -22 33  8  o 91.063  2.6244  4506.18    258.852  4141.14    317.850  5225.07    446.044  87.201  3.3653  97.797  4.2110  -10.59536      5.390539  
1 1 1 -22 33  9  o 45.952  3.8214  1160.05    188.471  1090.99    214.100  1397.80    397.255  44.426  4.5121  49.526  7.6523  -5.099907      8.883524  
1 1 1 -22 33  10 o 38.171  4.4725  808.439    181.403  824.259    206.636  755.270    378.817  38.414  5.0919  35.803  9.5805  2.611706       10.84953  
1 1 1 -22 33  11 o 38.883  4.3185  837.740    178.799  862.406    203.103  752.788    376.932  39.341  4.8707  35.690  9.5593  3.650658       10.72861  
1 1 1 -22 33  12 o 30.700  1.4824  511.128    49.291   415.784    193.706  517.729    50.969   26.816  6.6910  30.897  1.5231  -4.080631      6.862140  
1 1 1 -22 33  13 o 9.5525  2.4516  51.504     25.492   155.092    180.215  49.389     25.751   18.513  6.8216  9.3672  2.4939  9.146138       7.263210  
1 1 1 -22 33  14 o 41.260  1.4912  923.452    66.641   429.441    222.126  972.316    69.859   27.155  7.3657  42.336  1.5235  -15.18043      7.521613  
1 1 1 -22 33  15 o 64.763  2.4720  2282.80    173.397  1775.93    288.957  2568.04    216.762  56.551  4.7619  68.623  2.9164  -12.07137      5.584016  
1 1 1 -22 33  16 o 47.394  4.5082  1249.36    228.629  1332.77    277.077  1071.40    404.711  48.715  5.3388  42.219  9.1172  6.495617       10.56533  
1 1 1 -22 33  17 o 79.603  3.4515  3472.62    297.584  3212.40    350.709  4141.73    562.372  76.213  4.2658  85.675  6.1002  -9.461670      7.443767  
1 1 1 -22 33  18 o 84.608  3.3859  3925.56    310.280  3828.73    361.132  4198.61    606.419  83.353  4.0001  85.821  6.5740  -2.467270      7.695315  
1 1 1 -22 33  19 o 72.281  2.7003  2854.31    211.402  2199.50    328.986  3314.87    275.906  62.659  4.8862  77.735  3.2770  -15.07549      5.883301  
1 1 1 -22 33  20 o 15.780  6.8150  1.4215     212.889  -126.8805  252.934  313.141    394.251  15.210  6.9362  25.475  9.9225  -10.26497      12.10643  
1 1 1 -22 33  21 o 23.581  8.2172  321.897    257.634  507.329    326.155  14.211     420.132  28.383  9.2456  21.232  9.3626  7.150537       13.15824  
1 1 1 -22 33  22 o 15.233  6.5347  23.473     193.211  112.544    411.896  -1.6538    218.773  21.842  9.4563  15.613  6.8238  6.229018       11.66133  
1 1 1 -22 33  23 o 33.431  10.831  812.734    447.868  812.734    447.868  0.0000     0.0000   33.431  10.831  ?       ?       0.000000       10.83071  
1 1 1 -22 33  24 o 69.282  7.1013  2976.39    525.348  2976.39    525.348  0.0000     0.0000   69.282  7.1013  ?       ?       0.000000       7.101273  
1 1 1 -22 33  25 f 25.535  10.473  416.142    462.957  416.142    462.957  0.0000     0.0000   25.535  10.473  ?       ?       0.000000       10.47280  
1 1 1 -22 33  26 o 20.753  9.2850  95.925     428.614  95.925     428.614  0.0000     0.0000   20.753  9.2850  ?       ?       0.000000       9.284983  
1 1 1 -22 33  27 o 25.132  2.1055  349.808    56.784   349.808    56.784   0.0000     0.0000   25.132  2.1055  ?       ?       0.000000       2.105518  
1 1 1 -22 34  1  o 53.251  3.0817  1547.31    176.983  1710.27    201.016  985.465    373.256  55.959  3.3317  41.254  8.6308  14.70477       9.251495  
1 1 1 -22 34  2  o 69.972  2.8428  2661.06    215.447  2726.85    245.406  2439.87    449.974  70.797  3.2004  66.239  6.3498  4.558395       7.110711  
1 1 1 -22 34  3  o 49.062  3.1948  1314.99    168.841  1517.73    190.958  588.706    361.429  52.700  3.3630  32.079  9.6309  20.62090       10.20116  
1 1 1 -22 34  4  f 77.568  2.5421  3267.90    213.575  3455.25    236.795  2450.72    494.539  79.741  2.7417  66.196  7.0040  13.54525       7.521500  
1 1 1 -22 34  5  o 184.660 3.6261  18577.96   725.239  18557.53   835.022  18640.67   1463.23  184.377 4.1814  183.260 7.3718  1.117126       8.475140  
1 1 1 -22 34  6  o 108.451 2.8972  6394.68    340.316  6327.60    386.599  6625.63    717.282  107.816 3.3106  109.507 6.0713  -1.690247      6.915265  
1 1 1 -22 34  7  o 29.618  5.9239  499.648    183.398  579.046    213.642  277.255    357.555  31.837  6.4172  25.320  9.5530  6.516859       11.50827  
1 1 1 -22 34  8  o 79.757  2.9214  3459.93    252.364  3125.58    285.417  4657.86    540.251  75.737  3.4794  91.892  5.4525  -16.15511      6.468067  
1 1 1 -22 34  9  o 55.329  2.2707  1662.49    136.077  1574.68    231.168  1709.05    168.331  53.544  4.0153  56.061  2.7723  -2.516579      4.879374  
1 1 1 -22 34  10 o 49.764  3.5832  1357.93    191.841  1396.40    217.075  1220.71    409.965  50.390  4.0105  45.854  8.5697  4.535698       9.461713  
1 1 1 -22 34  11 o 63.177  2.4760  2169.60    169.423  2179.57    262.020  2162.45    222.100  63.041  3.8560  62.902  3.2712  0.1381073      5.056649  
1 1 1 -22 34  12 o 78.807  3.0992  3384.31    264.534  3279.72    304.089  3709.73    536.380  77.492  3.6230  81.570  6.1157  -4.077896      7.108286  
1 1 1 -22 34  13 o 161.246 3.4883  14200.34   609.223  14255.91   705.220  14036.88   1209.49  161.331 4.0359  158.265 7.0558  3.065948       8.128495  
1 1 1 -22 34  14 o 94.998  3.1294  4924.00    321.988  4969.71    374.202  4793.65    631.959  95.316  3.6247  92.466  6.3486  2.850143       7.310444  
1 1 1 -22 34  15 o 75.528  3.3009  3117.79    270.029  3090.71    316.007  3191.09    519.842  74.965  3.9055  75.205  6.4442  -0.2397156     7.535317  
1 1 1 -22 34  16 o 108.953 3.2467  6491.35    383.135  6654.10    450.722  6067.42    727.418  110.122 3.7789  103.654 6.5124  6.468529       7.529365  
1 1 1 -22 34  17 o 42.367  4.5925  1003.88    207.364  958.075    245.369  1118.36    387.893  41.041  5.6714  43.210  8.5907  -2.168961      10.29390  
1 1 1 -22 34  18 o 6.0017  2.4969  4.2477     26.830   23.547     232.718  3.9877     27.010   16.968  7.2225  6.0053  2.5024  10.96295       7.643756  
1 1 1 -22 34  19 o 22.704  7.4281  292.776    210.442  347.133    245.516  142.251    408.559  24.540  8.0230  23.233  9.7112  1.307024       12.59662  
1 1 1 -22 34  20 o 40.261  5.3056  927.898    225.726  887.958    262.450  1041.41    442.447  38.886  6.4579  40.165  10.163  -1.278198      12.04083  
1 1 1 -22 34  21 o 28.552  8.5056  515.139    282.714  443.377    376.582  607.820    427.965  27.121  9.8810  30.516  10.593  -3.394728      14.48615  
1 1 1 -22 34  22 o 25.156  8.2472  398.484    259.366  216.518    339.375  654.012    402.165  22.099  9.0040  30.814  10.278  -8.714474      13.66392  
1 1 1 -22 34  23 o 23.740  9.7577  277.223    402.979  277.223    402.979  0.0000     0.0000   23.740  9.7577  ?       ?       0.000000       9.757729  
1 1 1 -22 34  24 o 50.681  8.5522  1692.43    452.739  1692.43    452.739  0.0000     0.0000   50.681  8.5522  ?       ?       0.000000       8.552169  
1 1 1 -22 34  25 o 23.449  9.8557  291.951    424.424  291.951    424.424  0.0000     0.0000   23.449  9.8557  ?       ?       0.000000       9.855721  
1 1 1 -22 34  26 o 15.643  7.5623  -392.8374  389.782  -392.8374  389.782  0.0000     0.0000   15.643  7.5623  ?       ?       0.000000       7.562315  
1 1 1 -22 34  27 o 18.599  8.5352  -38.7391   391.125  -38.7391   391.125  0.0000     0.0000   18.599  8.5352  ?       ?       0.000000       8.535244  
1 1 1 -22 35  1  o 150.028 3.3476  12252.42   543.979  13060.24   606.552  8931.97    1229.72  154.829 3.6170  125.767 9.0888  29.06206       9.782060  
1 1 1 -22 35  2  o 114.299 2.9871  7103.88    369.793  7592.82    426.409  5620.63    742.688  118.108 3.3333  100.580 6.8584  17.52778       7.625510  
1 1 1 -22 35  3  o 15.883  5.8033  112.830    130.036  135.556    146.532  28.606     282.098  17.108  6.1742  18.963  8.0061  -1.855125      10.11035  
1 1 1 -22 35  4  o 107.919 2.9897  6333.27    349.461  6833.13    403.722  4839.60    697.891  112.043 3.3268  93.254  6.9597  18.78819       7.713927  
1 1 1 -22 35  5  o 82.042  2.6776  3657.43    237.935  4153.01    303.562  2867.95    383.147  87.360  3.2082  72.199  4.9291  15.16129       5.881213  
1 1 1 -22 35  6  o 91.880  2.5499  4586.12    253.760  4168.85    308.900  5452.17    445.025  87.514  3.2589  99.930  4.1117  -12.41651      5.246539  
1 1 1 -22 35  7  o 65.882  3.5551  2372.24    252.740  2265.57    299.892  2633.70    469.535  64.235  4.3358  68.761  6.3771  -4.526527      7.711476  
1 1 1 -22 35  8  o 67.441  3.5925  2486.76    261.473  2228.76    311.511  3102.00    481.037  63.649  4.5486  74.754  5.9915  -11.10455      7.522535  
1 1 1 -22 35  9  o 60.067  3.3031  1971.73    214.070  1976.11    243.470  1956.81    449.380  60.054  3.7621  58.865  7.1983  1.189064       8.122100  
1 1 1 -22 35  10 o 48.221  3.7669  1277.36    195.181  1281.43    222.194  1263.63    408.431  48.195  4.3017  46.717  8.3798  1.478706       9.419435  
1 1 1 -22 35  11 o 26.907  5.8285  415.135    164.947  389.753    186.056  508.339    356.529  25.986  6.5985  29.980  9.6583  -3.994152      11.69707  
1 1 1 -22 35  12 o 58.584  3.4392  1879.58    217.272  1670.87    248.678  2552.88    446.648  55.069  4.2010  67.549  6.1731  -12.47974      7.466951  
1 1 1 -22 35  13 o 92.298  3.0901  4645.29    308.916  4493.19    356.706  5101.58    617.831  90.656  3.6328  95.652  5.9938  -4.995865      7.008792  
1 1 1 -22 35  14 o 101.180 3.2425  5589.91    355.338  5442.51    417.167  5979.57    678.272  99.666  3.8645  103.422 6.0818  -3.756615      7.205784  
1 1 1 -22 35  15 o 27.652  6.7843  446.963    201.659  502.255    243.229  325.381    360.675  29.192  7.6136  25.866  9.6272  3.325859       12.27389  
1 1 1 -22 35  16 o 57.028  3.7796  1792.46    232.135  1755.18    296.564  1851.43    373.005  56.089  4.9318  57.179  6.1178  -1.090225      7.858165  
1 1 1 -22 35  17 o 32.561  5.9173  611.700    201.000  551.230    239.405  756.141    370.005  30.481  7.3394  35.115  9.4989  -4.633392      12.00398  
1 1 1 -22 35  18 o 61.532  3.7409  2089.88    248.133  1799.68    283.709  3034.19    511.784  56.785  4.6537  72.865  6.5550  -16.07942      8.038963  
1 1 1 -22 35  19 o 44.296  4.7520  1104.84    224.430  944.310    258.416  1597.57    452.740  40.418  6.0922  51.533  8.4008  -11.11468      10.37733  
1 1 1 -22 35  20 o 19.031  7.3187  160.038    212.386  226.639    249.580  -14.8044   404.385  21.356  7.9966  20.775  9.1719  0.5813465      12.16836  
1 1 1 -22 35  21 o 25.560  8.5141  402.043    276.018  134.691    361.800  774.320    426.934  21.491  9.0698  33.722  10.534  -12.23050      13.90047  
1 1 1 -22 35  22 o 47.770  6.5113  1374.38    328.117  1627.56    449.973  1086.90    479.486  50.326  8.5617  38.869  10.932  11.45739       13.88533  
1 1 1 -22 35  23 o 41.559  10.294  1220.92    460.980  1220.92    460.980  0.0000     0.0000   41.559  10.294  ?       ?       0.000000       10.29448  
1 1 1 -22 35  24 o 18.739  8.6294  -106.1388  404.560  -106.1388  404.560  0.0000     0.0000   18.739  8.6294  ?       ?       0.000000       8.629362  
1 1 1 -22 35  25 o 21.054  9.3157  112.048    419.407  112.048    419.407  0.0000     0.0000   21.054  9.3157  ?       ?       0.000000       9.315701  
1 1 1 -22 35  26 o 17.317  8.1192  -165.6033  383.978  -165.6033  383.978  0.0000     0.0000   17.317  8.1192  ?       ?       0.000000       8.119175  
1 1 1 -22 36  1  o 102.578 2.8962  5720.90    321.770  6178.43    369.781  4294.17    652.996  106.554 3.2041  87.805  6.9224  18.74883       7.627991  
1 1 1 -22 36  2  o 36.842  1.9600  738.472    77.932   893.787    168.590  696.266    87.885   40.295  3.9121  35.741  2.2822  4.554741       4.529171  
1 1 1 -22 36  3  o 47.702  3.3595  1244.88    172.467  1389.70    197.093  771.574    356.317  50.372  3.6370  36.355  9.0768  14.01691       9.778353  
1 1 1 -22 36  4  o 118.544 3.0579  7644.04    392.622  7985.71    449.337  6541.06    807.334  121.096 3.4259  108.475 6.9075  12.62116       7.710379  
1 1 1 -22 36  5  o 74.276  3.0383  3001.09    244.429  3270.35    278.838  2107.62    507.935  77.503  3.3217  61.018  7.8690  16.48512       8.541404  
1 1 1 -22 36  6  f 55.084  3.3426  1658.35    198.484  1605.25    224.222  1850.65    426.682  54.110  3.8510  57.363  7.0136  -3.252831      8.001321  
1 1 1 -22 36  7  o 35.977  4.9820  722.889    188.921  644.974    218.792  951.229    374.552  33.667  6.2296  40.381  8.8115  -6.714046      10.79118  
1 1 1 -22 36  8  o 20.937  1.4046  238.705    31.668   212.095    205.513  239.353    32.050   20.743  7.3308  20.964  1.4199  -0.2211380     7.467062  
1 1 1 -22 36  9  o 60.515  3.2848  2001.28    214.490  1935.99    243.120  2230.53    455.590  59.426  3.7971  63.014  6.7821  -3.587868      7.772643  
1 1 1 -22 36  10 o 44.131  3.8115  1071.60    180.395  1045.89    202.765  1169.22    395.081  43.487  4.3637  44.862  8.4407  -1.374359      9.501974  
1 1 1 -22 36  11 o 127.815 3.1063  8901.48    430.029  8879.59    494.613  8969.24    870.389  127.530 3.5808  127.088 6.3232  0.4420166      7.266729  
1 1 1 -22 36  12 o 71.854  3.2394  2815.96    252.112  2632.87    291.086  3365.63    504.368  69.264  3.8959  77.661  6.0438  -8.396828      7.190638  
1 1 1 -22 36  13 o 18.137  6.7862  142.783    179.680  86.040     210.174  296.880    346.352  17.654  7.1243  25.218  9.4246  -7.564531      11.81436  
1 1 1 -22 36  14 o 109.106 3.1591  6498.75    373.318  6417.92    432.957  6733.02    737.088  108.268 3.6921  109.634 6.2331  -1.366516      7.244502  
1 1 1 -22 36  15 o 78.613  3.4362  3381.79    292.576  3315.54    347.397  3543.46    542.639  77.550  4.1510  79.248  6.3759  -1.698189      7.608084  
1 1 1 -22 36  16 o 59.110  3.7700  1925.70    240.106  1809.83    283.660  2218.50    450.938  57.043  4.6312  62.307  6.7921  -5.263992      8.220779  
1 1 1 -22 36  17 o 53.740  4.1403  1601.33    239.132  1752.54    288.670  1270.62    426.910  56.014  4.8046  45.920  8.9049  10.09386       10.11840  
1 1 1 -22 36  18 o 53.055  4.1986  1564.17    239.296  1439.66    280.734  1895.04    457.634  50.541  5.2027  56.896  7.6174  -6.354710      9.224550  
1 1 1 -22 36  19 o 14.339  6.4204  -69.4916   205.397  -81.7741   240.162  -36.0395   396.345  15.421  6.9212  20.522  9.0693  -5.100809      11.40852  
1 1 1 -22 36  20 o 12.382  5.8429  -204.0682  204.568  -213.8252  239.972  -178.1250  391.304  13.622  6.3969  18.584  8.5316  -4.961740      10.66344  
1 1 1 -22 36  21 o 33.626  7.5478  704.726    268.151  879.789    336.316  399.220    444.284  37.039  8.5558  26.638  10.487  10.40030       13.53423  
1 1 1 -22 36  22 o 27.013  8.9430  474.179    304.702  990.322    426.741  -62.6614   435.212  37.682  10.204  20.193  9.1657  17.48896       13.71644  
1 1 1 -22 36  23 o 61.465  7.6286  2370.21    496.937  2370.21    496.937  0.0000     0.0000   61.465  7.6286  ?       ?       0.000000       7.628609  
1 1 1 -22 36  24 o 61.410  7.4092  2382.41    482.855  2382.41    482.855  0.0000     0.0000   61.410  7.4092  ?       ?       0.000000       7.409167  
1 1 1 -22 36  25 o 21.339  9.1890  177.851    384.733  177.851    384.733  0.0000     0.0000   21.339  9.1890  ?       ?       0.000000       9.189007  
1 1 1 -22 36  26 o 24.464  9.6834  401.463    380.739  401.463    380.739  0.0000     0.0000   24.464  9.6834  ?       ?       0.000000       9.683393  
1 1 1 -22 37  1  o 135.521 3.0462  9991.14    447.134  9777.47    506.571  10744.73   951.354  133.969 3.4911  139.514 6.2959  -5.544449      7.199004  
1 1 1 -22 37  2  o 17.009  5.8677  144.986    131.211  168.266    137.891  -77.9789   426.740  17.982  6.0182  21.579  9.4783  -3.596222      11.22747  
1 1 1 -22 37  3  o 89.432  2.9907  4350.19    289.693  4357.47    322.294  4319.57    660.999  89.461  3.3262  88.014  6.9916  1.447311       7.742449  
1 1 1 -22 37  4  o 80.202  2.9299  3498.20    254.510  3645.75    288.204  2975.55    542.427  81.836  3.2515  72.957  6.9484  8.879456       7.671511  
1 1 1 -22 37  5  o 16.335  5.9710  119.808    137.680  153.215    150.861  -46.7028   336.802  17.774  6.2809  19.452  8.4853  -1.678654      10.55700  
1 1 1 -22 37  6  o 42.578  4.0146  998.484    182.953  1097.95    207.064  644.447    390.659  44.606  4.3409  33.375  10.011  11.23066       10.91172  
1 1 1 -22 37  7  o 55.751  3.4521  1700.38    207.430  1714.51    235.944  1652.29    435.282  55.902  3.9216  53.906  7.6718  1.996601       8.615966  
1 1 1 -22 37  8  o 94.124  3.5306  4831.49    359.928  4980.40    439.651  4528.87    626.761  95.413  4.2543  90.178  6.4598  5.234879       7.734885  
1 1 1 -22 37  9  o 83.483  2.6709  3790.19    241.502  3651.96    313.378  3992.32    378.964  81.818  3.5363  85.440  4.0951  -3.621437      5.410676  
1 1 1 -22 37  10 o 21.834  6.2012  271.172    153.515  301.706    170.516  140.548    352.683  23.000  6.5366  22.636  9.1957  0.3646641      11.28218  
1 1 1 -22 37  11 f 94.277  3.0420  4842.48    310.623  5012.86    357.043  4312.04    629.979  95.841  3.4395  87.731  6.6800  8.109818       7.513499  
1 1 1 -22 37  12 o 112.354 3.0112  6879.77    366.434  6989.29    430.294  6590.72    699.022  113.115 3.5122  108.820 5.9534  4.295441       6.912145  
1 1 1 -22 37  13 o 78.768  2.6707  3378.28    227.848  3349.70    305.633  3414.04    341.854  78.261  3.6057  78.817  4.0179  -0.5562973     5.398530  
1 1 1 -22 37  14 o 26.025  1.9942  370.142    55.783   623.280    217.492  352.317    57.714   32.870  6.3389  25.371  2.1196  7.498356       6.683882  
1 1 1 -22 37  15 o 71.654  3.2783  2807.50    254.422  2735.83    295.098  3015.06    502.185  70.496  3.8798  73.021  6.4146  -2.525002      7.496679  
1 1 1 -22 37  16 o 59.620  3.9969  1963.93    256.605  1772.94    309.546  2383.51    458.807  56.268  5.1358  64.639  6.6481  -8.371735      8.400828  
1 1 1 -22 37  17 o 22.346  1.4478  272.157    34.852   251.182    250.269  272.572    35.194   22.269  8.0640  22.362  1.4612  -0.9253883E-01 8.195313  
1 1 1 -22 37  18 o 30.465  6.5491  546.086    209.672  719.850    255.798  190.286    366.032  34.920  7.0069  23.191  9.3867  11.72919       11.71353  
1 1 1 -22 37  19 f 27.663  7.1929  459.976    217.527  663.328    252.750  -120.9167  427.184  33.264  7.2223  20.262  9.1499  13.00179       11.65689  
1 1 1 -22 37  20 o ?       ?       -183.3221  27.011   166.724    234.854  -188.0145  27.191   19.600  7.6516  ?       ?       0.000000       7.651588  
1 1 1 -22 37  21 o 33.556  1.7086  615.154    61.894   437.108    367.458  620.353    62.791   26.603  9.7501  33.695  1.7263  -7.092028      9.901775  
1 1 1 -22 37  22 o 44.342  9.0737  1297.44    421.103  1297.44    421.103  0.0000     0.0000   44.342  9.0737  ?       ?       0.000000       9.073708  
1 1 1 -22 37  23 o 26.088  9.9288  436.473    388.377  436.473    388.377  0.0000     0.0000   26.088  9.9288  ?       ?       0.000000       9.928827  
1 1 1 -22 37  24 o 46.733  2.0909  1197.90    105.831  1197.90    105.831  0.0000     0.0000   46.733  2.0909  ?       ?       0.000000       2.090855  
1 1 1 -22 37  25 o 40.405  9.2925  1156.88    398.185  1156.88    398.185  0.0000     0.0000   40.405  9.2925  ?       ?       0.000000       9.292543  
1 1 1 -22 37  26 o 19.497  8.7977  31.419     394.061  31.419     394.061  0.0000     0.0000   19.497  8.7977  ?       ?       0.000000       8.797663  
1 1 1 -22 38  1  o 75.910  2.9049  3133.92    238.834  3174.33    262.392  2938.72    576.714  76.367  3.1723  72.301  7.4723  4.065750       8.117799  
1 1 1 -22 38  2  o 40.179  3.4983  886.140    150.719  806.495    159.410  1557.41    462.794  38.251  3.9024  52.093  8.4951  -13.84266      9.348552  
1 1 1 -22 38  3  o 109.629 2.8960  6536.03    343.869  6585.19    385.827  6346.15    758.234  109.982 3.2389  106.907 6.5802  3.075607       7.334177  
1 1 1 -22 38  4  o 51.460  3.2125  1447.10    178.157  1438.89    197.443  1483.11    413.306  51.257  3.5789  51.048  7.7160  0.2090912      8.505569  
1 1 1 -22 38  5  o 36.484  3.9707  735.107    154.375  770.629    169.697  564.629    371.759  37.310  4.2766  31.492  9.8284  5.817747       10.71853  
1 1 1 -22 38  6  o 100.552 2.9520  5500.99    321.494  5759.18    367.089  4651.00    666.055  102.826 3.2961  91.326  6.7820  11.50084       7.540552  
1 1 1 -22 38  7  o 76.871  2.5464  3211.65    212.012  3046.24    280.107  3433.53    324.410  74.751  3.4597  79.311  3.7765  -4.559402      5.121678  
1 1 1 -22 38  8  o 57.004  3.9920  1784.43    244.918  1666.22    294.337  2050.50    441.591  54.853  5.0095  60.355  6.8780  -5.501968      8.508895  
1 1 1 -22 38  9  o 90.561  3.0635  4466.38    300.491  4418.62    345.277  4615.51    610.084  89.990  3.5424  91.071  6.2223  -1.080177      7.159994  
1 1 1 -22 38  10 o 152.257 3.3882  12645.17   558.750  12284.82   643.791  13745.28   1124.86  149.873 3.9660  157.167 6.6079  -7.294495      7.706757  
1 1 1 -22 38  11 o 134.293 3.2195  9834.24    468.285  9741.92    530.849  10158.09   994.277  133.524 3.6706  134.716 6.8366  -1.192291      7.759712  
1 1 1 -22 38  12 o 56.509  3.5428  1751.68    215.744  1729.27    247.037  1823.70    442.879  56.024  4.0996  56.495  7.4170  -0.4706039     8.474581  
1 1 1 -22 38  13 o 65.487  3.4114  2349.75    241.135  2278.34    279.074  2560.14    479.009  64.335  4.0252  67.309  6.6579  -2.973083      7.780085  
1 1 1 -22 38  14 o 77.140  3.2014  3250.78    267.474  3311.20    309.438  3072.25    531.941  77.746  3.6747  73.628  6.7453  4.117889       7.681363  
1 1 1 -22 38  15 o 55.007  2.7042  1649.68    161.115  2286.59    282.887  1343.89    196.011  64.364  4.0790  49.373  3.6921  14.99076       5.501834  
1 1 1 -22 38  16 o 71.056  3.4590  2767.67    266.207  2762.16    313.160  2782.04    505.448  70.698  4.1074  69.778  6.7732  0.9198837      7.921241  
1 1 1 -22 38  17 o 16.194  6.7346  47.808     195.072  -30.5373   237.108  211.913    343.163  16.201  7.0919  23.206  9.1907  -7.004438      11.60879  
1 1 1 -22 38  18 o 31.631  6.2523  585.118    206.612  699.081    248.501  329.940    371.853  34.405  6.9085  25.697  9.7308  8.708521       11.93381  
1 1 1 -22 38  19 o 56.070  2.4129  1716.88    146.535  1570.42    280.166  1772.03    171.925  52.712  4.9658  56.884  2.7905  -4.171753      5.696106  
1 1 1 -22 38  20 f 42.696  5.3134  1050.56    240.398  1193.22    282.312  674.232    458.510  45.235  5.9029  31.913  10.971  13.32154       12.45831  
1 1 1 -22 38  21 o 33.239  7.6337  695.809    269.032  670.148    337.391  740.613    445.814  31.727  9.2497  32.509  10.820  -0.7819080     14.23485  
1 1 1 -22 38  22 o 39.667  9.1955  1051.90    387.367  1051.90    387.367  0.0000     0.0000   39.667  9.1955  ?       ?       0.000000       9.195481  
1 1 1 -22 38  23 o 31.932  10.027  726.979    386.246  726.979    386.246  0.0000     0.0000   31.932  10.027  ?       ?       0.000000       10.02663  
1 1 1 -22 38  24 o 51.221  8.0740  1712.68    433.087  1712.68    433.087  0.0000     0.0000   51.221  8.0740  ?       ?       0.000000       8.073972  
1 1 1 -22 38  25 o 36.786  10.159  1019.88    418.138  1019.88    418.138  0.0000     0.0000   36.786  10.159  ?       ?       0.000000       10.15939  
1 1 1 -22 38  26 o 28.186  10.129  606.391    393.921  606.391    393.921  0.0000     0.0000   28.186  10.129  ?       ?       0.000000       10.12916  
1 1 1 -22 39  1  o 89.941  2.8950  4399.93    282.013  4417.38    312.816  4324.19    651.717  90.074  3.2064  88.025  6.8907  2.049454       7.600203  
1 1 1 -22 39  2  o 75.693  2.8679  3116.01    235.121  2968.01    257.566  3855.84    575.879  73.833  3.2208  83.258  6.4360  -9.425728      7.196973  
1 1 1 -22 39  3  o 68.039  3.0053  2518.75    221.466  2571.29    241.854  2245.96    551.102  68.718  3.2495  62.800  8.3061  5.917850       8.919068  
1 1 1 -22 39  4  o 52.090  3.1800  1482.62    178.549  1505.50    197.558  1380.61    417.170  52.443  3.4982  49.061  8.1357  3.381741       8.855898  
1 1 1 -22 39  5  o 62.477  3.0063  2124.13    203.433  2159.67    226.841  1978.08    459.819  62.874  3.3431  59.178  7.3308  3.696144       8.057104  
1 1 1 -22 39  6  o 70.573  2.9835  2710.55    228.055  2707.92    257.112  2720.25    493.842  70.491  3.3676  69.741  6.6170  0.7503510      7.424640  
1 1 1 -22 39  7  o 35.899  4.3952  715.784    167.324  606.838    186.722  1159.92    377.008  32.782  5.4502  44.841  8.0587  -12.05949      9.728744  
1 1 1 -22 39  8  o 81.849  4.3875  3679.27    387.536  3473.71    539.996  3897.59    556.494  78.912  6.3723  83.684  6.1835  -4.772308      8.879288  
1 1 1 -22 39  9  o 40.953  4.3715  928.973    190.912  1038.82    217.916  566.348    395.942  43.255  4.7284  31.546  10.180  11.70891       11.22426  
1 1 1 -22 39  10 o 35.669  1.9445  692.746    74.839   769.835    226.452  683.294    79.294   36.870  5.8673  35.411  2.0765  1.458767       6.223914  
1 1 1 -22 39  11 o 38.182  4.9662  815.707    200.516  918.509    234.303  534.364    387.611  40.417  5.4949  30.686  10.083  9.730555       11.48315  
1 1 1 -22 39  12 o 62.485  3.5342  2140.69    238.204  1975.76    277.291  2605.14    465.328  59.841  4.3070  68.060  6.3871  -8.219109      7.703635  
1 1 1 -22 39  13 o 71.026  3.1681  2754.15    243.715  2458.88    279.313  3696.10    498.880  66.871  3.8730  81.370  5.6965  -14.49934      6.888442  
1 1 1 -22 39  14 o 48.006  4.2928  1277.67    220.851  1228.41    260.350  1404.08    417.063  46.803  5.2250  48.977  8.1485  -2.173370      9.679806  
1 1 1 -22 39  15 o 54.496  3.8723  1639.11    227.072  1507.98    265.539  1995.92    438.021  52.005  4.7673  58.998  6.9906  -6.993393      8.461431  
1 1 1 -22 39  16 o 86.872  2.9349  4123.39    276.151  4084.20    368.438  4173.63    417.159  86.150  3.9486  86.794  4.4525  -0.6447144     5.951126  
1 1 1 -22 39  17 o 25.061  7.0215  369.499    198.213  436.474    235.948  208.885    365.385  27.112  7.6836  23.567  9.4346  3.545633       12.16754  
1 1 1 -22 39  18 o 60.478  3.9082  2027.18    254.633  1868.97    305.357  2388.32    461.342  57.666  4.9366  64.293  6.7245  -6.627338      8.341991  
1 1 1 -22 39  19 o 61.889  3.9665  2131.90    264.482  1886.83    311.332  2767.35    501.333  57.734  5.0290  68.832  6.8141  -11.09808      8.468985  
1 1 1 -22 39  20 o 30.713  7.0999  578.453    231.458  584.155    272.880  563.833    436.986  30.430  8.1263  29.648  10.667  0.7819557      13.40973  
1 1 1 -22 39  21 o 36.623  7.2597  831.959    277.795  1082.82    353.391  426.233    449.419  41.235  8.2012  26.823  10.551  14.41222       13.36366  
1 1 1 -22 39  22 o 29.019  9.8934  573.230    372.709  573.230    372.709  0.0000     0.0000   29.019  9.8934  ?       ?       0.000000       9.893387  
1 1 1 -22 39  23 o 3.9448  1.9499  -68.6024   30.559   -68.6024   30.559   0.0000     0.0000   3.9448  1.9499  ?       ?       0.000000       1.949926  
1 1 1 -22 39  24 f 33.749  10.205  847.935    404.741  847.935    404.741  0.0000     0.0000   33.749  10.205  ?       ?       0.000000       10.20500  
1 1 1 -22 39  25 o 33.289  10.070  842.208    394.052  842.208    394.052  0.0000     0.0000   33.289  10.070  ?       ?       0.000000       10.07014  
1 1 1 -22 39  26 o 42.591  9.6904  1325.38    436.956  1325.38    436.956  0.0000     0.0000   42.591  9.6904  ?       ?       0.000000       9.690392  
1 1 1 -22 40  1  o 67.785  2.8194  2499.05    206.998  2340.91    224.423  3400.43    535.796  65.569  3.1601  78.137  6.3868  -12.56820      7.125829  
1 1 1 -22 40  2  o 90.457  2.8427  4450.56    278.515  4351.96    308.415  4886.43    648.417  89.400  3.1851  93.748  6.4247  -4.347511      7.170870  
1 1 1 -22 40  3  o 115.047 2.9952  7202.59    373.219  7034.63    419.619  7838.56    816.519  113.616 3.4099  118.856 6.3658  -5.239662      7.221587  
1 1 1 -22 40  4  o 93.590  2.6630  4761.92    269.946  4764.90    300.509  4749.46    614.365  93.576  2.9650  92.498  6.1677  1.078117       6.843350  
1 1 1 -22 40  5  o 54.517  3.2077  1624.26    188.573  1586.50    210.122  1780.55    427.480  53.809  3.6265  56.118  7.1991  -2.308640      8.060890  
1 1 1 -22 40  6  o 27.579  5.2953  431.998    152.427  505.358    168.234  95.731     360.186  29.862  5.4002  22.138  9.1743  7.724056       10.64565  
1 1 1 -22 40  7  o 103.057 2.9988  5781.89    334.732  6184.36    381.600  4438.71    697.121  106.523 3.3074  88.887  7.3057  17.63608       8.019461  
1 1 1 -22 40  8  o 62.386  3.7427  2132.93    251.730  2303.02    299.944  1727.70    462.960  64.714  4.3038  54.921  8.0191  9.792408       9.101048  
1 1 1 -22 40  9  o 172.754 3.7204  16303.15   696.133  16800.73   768.083  14014.34   1647.34  175.231 4.0469  155.956 9.8023  19.27562       10.60482  
1 1 1 -22 40  10 o 108.425 3.1114  6407.41    365.387  6424.64    421.770  6355.56    731.517  108.456 3.5905  106.736 6.3564  1.720016       7.300394  
1 1 1 -22 40  11 o 122.904 3.1903  8239.70    424.688  8169.16    491.116  8448.85    845.622  122.222 3.7099  122.988 6.3699  -0.7660751     7.371551  
1 1 1 -22 40  12 o 27.605  6.6368  442.896    195.992  478.818    231.247  351.283    369.294  28.612  7.4049  26.627  9.7721  1.984680       12.26081  
1 1 1 -22 40  13 o 76.190  3.3410  3172.90    275.708  3440.91    322.935  2452.29    529.524  79.245  3.7625  65.352  7.6243  13.89258       8.502093  
1 1 1 -22 40  14 o 27.280  6.9129  435.896    204.507  355.460    245.521  618.153    369.579  25.031  8.0097  32.154  9.7581  -7.122955      12.62444  
1 1 1 -22 40  15 f 51.776  4.0618  1483.76    225.950  1334.44    266.087  1869.77    427.823  48.774  5.1129  57.007  7.0815  -8.232849      8.734406  
1 1 1 -22 40  16 o 109.280 3.1655  6535.42    374.677  5913.73    434.678  8332.60    739.053  103.685 3.8706  122.053 5.5906  -18.36812      6.799707  
1 1 1 -22 40  17 f 63.289  3.7893  2212.28    258.556  2074.34    308.350  2538.97    474.517  60.955  4.7070  66.516  6.6766  -5.560898      8.169049  
1 1 1 -22 40  18 o 21.637  1.9380  256.804    44.935   506.228    249.088  248.413    45.685   28.927  7.7806  21.268  2.0070  7.658901       8.035269  
1 1 1 -22 40  19 o 40.562  5.3055  944.849    227.500  875.886    275.930  1091.24    402.026  38.305  6.9049  41.524  9.1826  -3.219688      11.48903  
1 1 1 -22 40  20 o 20.269  7.6455  207.637    228.983  187.790    271.633  256.378    425.673  20.626  8.1744  24.312  10.015  -3.686398      12.92750  
1 1 1 -22 40  21 o 26.211  8.5063  438.178    276.180  626.716    357.226  158.044    435.440  30.483  9.6517  22.801  9.7966  7.681530       13.75238  
1 1 1 -22 40  22 o 32.125  9.9032  720.011    378.754  720.011    378.754  0.0000     0.0000   32.125  9.9032  ?       ?       0.000000       9.903180  
1 1 1 -22 40  23 o 37.527  9.3121  972.481    376.696  972.481    376.696  0.0000     0.0000   37.527  9.3121  ?       ?       0.000000       9.312073  
1 1 1 -22 40  24 o 28.921  9.9706  611.098    378.824  611.098    378.824  0.0000     0.0000   28.921  9.9706  ?       ?       0.000000       9.970603  
1 1 1 -22 40  25 o 17.267  8.0935  -174.0544  381.173  -174.0544  381.173  0.0000     0.0000   17.267  8.0935  ?       ?       0.000000       8.093457  
1 1 1 -22 41  1  o 67.614  2.4926  2484.44    182.541  2392.88    194.334  3170.90    532.109  66.336  2.7048  75.340  6.5871  -9.003899      7.120772  
1 1 1 -22 41  2  o 109.540 2.9295  6529.27    347.568  6453.40    389.592  6825.15    769.345  108.831 3.3051  110.813 6.4378  -1.982239      7.236609  
1 1 1 -22 41  3  o 19.177  5.8119  204.397    131.167  224.337    137.552  4.4715     435.559  20.004  5.9269  22.738  9.7844  -2.734726      11.43952  
1 1 1 -22 41  4  o 85.494  2.9357  3977.60    271.845  4216.90    307.389  3118.64    582.370  87.984  3.2256  74.444  7.3172  13.54011       7.996653  
1 1 1 -22 41  5  o 103.592 2.9555  5840.61    331.609  6062.54    377.584  5092.11    693.426  105.476 3.3051  95.513  6.7463  9.962975       7.512450  
1 1 1 -22 41  6  o 91.406  2.9691  4547.86    293.946  4673.67    334.607  4122.52    615.233  92.599  3.3362  85.908  6.6642  6.691284       7.452660  
1 1 1 -22 41  7  o 47.481  3.5640  1236.90    181.946  1294.17    202.858  1001.28    411.456  48.514  3.8934  41.165  9.4307  7.348778       10.20277  
1 1 1 -22 41  8  o 28.815  6.4959  478.866    197.892  311.300    234.379  894.924    369.319  23.903  7.8401  38.977  8.9386  -15.07459      11.88972  
1 1 1 -22 41  9  o 58.524  3.4016  1874.90    214.687  2100.17    243.883  1099.40    452.502  61.902  3.6537  42.927  9.9299  18.97503       10.58080  
1 1 1 -22 41  10 o 145.076 3.3873  11488.34   532.262  11545.10   615.466  11319.95   1060.08  145.244 3.9123  142.273 6.8793  2.970261       7.913999  
1 1 1 -22 41  11 o 93.578  2.9080  4771.83    294.743  4856.99    368.450  4620.51    491.187  94.252  3.6092  91.410  4.9799  2.842331       6.150320  
1 1 1 -22 41  12 o 86.025  2.8840  4034.07    268.719  3800.32    352.205  4359.69    415.689  83.269  3.9052  89.072  4.3088  -5.802444      5.815187  
1 1 1 -22 41  13 o 32.064  5.9953  590.768    200.557  615.497    236.738  527.903    377.466  32.485  6.9392  30.245  9.9509  2.239738       12.13147  
1 1 1 -22 41  14 o 48.249  2.5128  1271.38    130.861  1618.76    283.152  1177.03    147.566  53.873  4.9064  46.343  2.9553  7.530388       5.727702  
1 1 1 -22 41  15 o 64.171  3.8004  2269.93    262.967  2533.43    315.504  1670.37    475.920  67.633  4.3298  53.092  8.5680  14.54080       9.599885  
1 1 1 -22 41  16 o 46.736  4.9440  1225.96    246.468  1034.83    303.999  1592.58    421.036  42.199  6.8889  52.170  7.6812  -9.970840      10.31783  
1 1 1 -22 41  17 o 43.200  1.9559  1015.25    91.516   744.484    297.851  1043.47    96.168   35.146  8.0037  43.789  2.0277  -8.643036      8.256520  
1 1 1 -22 41  18 o 62.060  4.0852  2142.36    273.063  2036.54    333.272  2358.50    476.296  60.025  5.1768  63.548  7.0381  -3.523182      8.736985  
1 1 1 -22 41  19 o 39.568  5.4554  904.603    227.580  1117.63    276.844  460.615    399.674  43.780  5.9959  27.833  10.173  15.94730       11.80889  
1 1 1 -22 41  20 o 32.868  6.6854  657.428    229.891  677.059    275.196  612.089    418.221  32.741  7.8599  30.238  10.473  2.502893       13.09457  
1 1 1 -22 41  21 o 18.481  8.2807  -37.7318   342.244  -37.7318   342.244  0.0000     0.0000   18.481  8.2807  ?       ?       0.000000       8.280711  
1 1 1 -22 41  22 o 56.762  7.0802  1983.44    425.820  1983.44    425.820  0.0000     0.0000   56.762  7.0802  ?       ?       0.000000       7.080249  
1 1 1 -22 41  23 o 18.633  8.4406  -41.1451   366.834  -41.1451   366.834  0.0000     0.0000   18.633  8.4406  ?       ?       0.000000       8.440622  
1 1 1 -22 41  24 o 16.659  7.8631  -232.1221  370.919  -232.1221  370.919  0.0000     0.0000   16.659  7.8631  ?       ?       0.000000       7.863101  
1 1 1 -22 41  25 o 18.784  8.5637  -29.5597   385.253  -29.5597   385.253  0.0000     0.0000   18.784  8.5637  ?       ?       0.000000       8.563704  
1 1 1 -22 42  1  o 31.744  8.3840  588.020    292.544  353.530    388.461  895.248    444.647  27.202  10.017  38.785  10.380  -11.58229      14.42488  
1 1 1 -22 42  2  o 55.568  3.0976  1686.53    185.688  1656.17    199.912  1877.45    501.247  55.021  3.3709  57.229  8.3311  -2.208065      8.987246  
1 1 1 -22 42  3  o 72.997  2.9493  2900.12    233.179  2896.88    255.048  2916.65    575.562  72.921  3.2292  71.885  7.5029  1.035431       8.168328  
1 1 1 -22 42  4  o 99.098  2.9089  5344.24    312.227  5447.30    354.768  4990.20    657.578  99.984  3.2760  94.660  6.4522  5.324570       7.236262  
1 1 1 -22 42  5  o 85.897  2.9339  4015.84    272.958  4090.59    308.872  3749.31    583.237  86.637  3.2916  81.914  6.6306  4.722694       7.402696  
1 1 1 -22 42  6  o 75.597  2.6038  3107.40    213.195  3384.06    277.975  2712.18    332.236  78.801  3.2569  70.234  4.3895  8.566887       5.465773  
1 1 1 -22 42  7  o 159.475 3.4201  13871.84   590.747  13820.81   678.071  14032.56   1203.40  158.997 3.9375  158.599 7.0055  0.3981323      8.036225  
1 1 1 -22 42  8  o 45.880  4.5395  1165.72    222.622  1158.53    265.828  1182.62    407.369  45.503  5.5057  44.995  8.6735  0.5083008      10.27336  
1 1 1 -22 42  9  o 52.862  3.4198  1531.41    194.754  1626.86    218.200  1157.49    431.871  54.433  3.7234  44.231  9.3095  10.20232       10.02647  
1 1 1 -22 42  10 o 86.048  2.8170  4032.48    262.538  4352.23    337.022  3538.97    418.702  89.262  3.4860  80.031  4.8533  9.231026       5.975455  
1 1 1 -22 42  11 o 61.857  3.4560  2097.13    230.618  2056.55    265.355  2222.40    466.223  61.122  4.0309  62.568  6.9996  -1.446434      8.077310  
1 1 1 -22 42  12 o 21.369  7.0358  248.836    188.690  192.528    221.556  397.525    360.030  20.425  7.5566  27.364  9.6995  -6.939178      12.29560  
1 1 1 -22 42  13 o 52.115  4.1135  1501.34    230.299  1545.55    272.703  1391.40    430.027  52.681  4.8332  48.609  8.4760  4.071751       9.757223  
1 1 1 -22 42  14 o 39.611  5.1527  884.444    215.833  944.016    256.678  740.658    398.776  40.671  6.0077  34.834  10.027  5.836380       11.68941  
1 1 1 -22 42  15 o 59.324  2.6742  1919.78    171.826  1961.01    333.236  1904.85    200.540  59.136  5.2576  58.928  3.1534  0.2074661      6.130756  
1 1 1 -22 42  16 o 26.845  7.3063  426.634    218.121  383.186    269.792  508.625    370.620  25.812  8.4089  29.461  9.8665  -3.649553      12.96368  
1 1 1 -22 42  17 o 76.749  3.7329  3245.04    310.305  3584.71    380.369  2569.15    536.552  80.295  4.3903  66.196  7.6228  14.09887       8.796703  
1 1 1 -22 42  18 o 25.984  7.5243  406.488    223.936  449.362    278.864  328.638    375.769  27.233  8.5145  25.455  9.7477  1.777746       12.94269  
1 1 1 -22 42  19 o 36.759  6.4231  803.555    246.419  903.364    315.278  646.861    395.035  38.233  7.8756  31.441  10.170  6.792274       12.86316  
1 1 1 -22 42  20 o 47.415  5.7875  1319.42    291.053  1634.99    400.055  964.543    424.231  51.704  7.3508  37.507  10.182  14.19614       12.55781  
1 1 1 -22 42  21 o 31.931  10.401  712.509    412.760  712.509    412.760  0.0000     0.0000   31.931  10.401  ?       ?       0.000000       10.40087  
1 1 1 -22 42  22 o 34.985  10.082  868.089    402.953  868.089    402.953  0.0000     0.0000   34.985  10.082  ?       ?       0.000000       10.08240  
1 1 1 -22 42  23 o 19.901  8.8871  29.760     390.712  29.760     390.712  0.0000     0.0000   19.901  8.8871  ?       ?       0.000000       8.887136  
1 1 1 -22 42  24 o 21.365  9.2846  158.052    400.051  158.052    400.051  0.0000     0.0000   21.365  9.2846  ?       ?       0.000000       9.284553  
1 1 1 -22 42  25 o 28.465  10.588  621.962    436.099  621.962    436.099  0.0000     0.0000   28.465  10.588  ?       ?       0.000000       10.58767  
1 1 1 -22 43  1  o 69.850  3.0658  2656.88    231.943  2167.46    499.030  2791.74    261.957  61.801  7.6164  71.559  3.3798  -9.757427      8.332617  
1 1 1 -22 43  2  o 56.865  1.7513  1754.34    107.862  1264.32    176.471  2046.58    136.282  48.036  3.4141  61.399  2.0493  -13.36341      3.981933  
1 1 1 -22 43  3  o 81.782  2.4636  3634.94    218.226  3322.23    276.269  4153.79    355.864  78.080  3.2668  87.218  3.7671  -9.137505      4.986278  
1 1 1 -22 43  4  o 77.769  3.0002  3292.68    252.710  3510.68    281.641  2392.12    572.432  80.267  3.2396  64.672  8.3684  15.59460       8.973568  
1 1 1 -22 43  5  f 123.414 3.0730  8295.00    410.767  8136.33    469.243  8815.28    849.697  122.113 3.5478  126.131 6.2197  -4.017876      7.160466  
1 1 1 -22 43  6  o 79.245  2.9948  3419.54    257.048  3565.75    291.894  2914.51    542.499  80.869  3.3325  71.959  7.0511  8.909805       7.798993  
1 1 1 -22 43  7  o 70.600  2.5774  2710.65    197.085  2899.70    272.053  2501.86    285.901  72.901  3.4455  67.530  3.9258  5.370872       5.223329  
1 1 1 -22 43  8  o 41.741  4.6675  968.419    207.405  1069.74    243.149  697.777    397.389  43.758  5.2343  34.352  10.045  9.406048       11.32719  
1 1 1 -22 43  9  o 59.225  2.6585  1908.85    170.533  2109.75    304.928  1817.42    205.710  61.804  4.5880  57.619  3.3102  4.184631       5.657468  
1 1 1 -22 43  10 o 58.890  3.5504  1902.18    225.399  1762.94    258.866  2338.67    458.333  56.527  4.2595  64.362  6.6717  -7.835133      7.915477  
1 1 1 -22 43  11 o 15.153  6.3826  22.044     178.609  -75.7602   207.924  297.404    348.880  14.509  6.4809  25.223  9.4525  -10.71424      11.46092  
1 1 1 -22 43  12 o 20.752  6.9065  232.461    181.640  341.476    210.645  -83.6498   358.697  24.399  7.3586  19.356  8.5872  5.042969       11.30880  
1 1 1 -22 43  13 o 26.985  6.9786  426.594    205.488  519.250    247.844  222.838    367.536  29.647  7.6628  24.075  9.5189  5.571806       12.21996  
1 1 1 -22 43  14 o 57.147  4.1875  1807.87    257.382  1554.68    312.302  2343.94    454.430  52.523  5.5750  64.129  6.6386  -11.60629      8.669005  
1 1 1 -22 43  15 o 76.730  3.5010  3228.72    290.956  3132.27    345.750  3462.75    538.583  75.236  4.2604  78.085  6.4252  -2.849319      7.709359  
1 1 1 -22 43  16 o 28.897  7.2384  496.548    226.070  618.759    282.014  276.809    378.156  32.039  8.1173  24.952  9.7180  7.086651       12.66218  
1 1 1 -22 43  17 f 65.442  4.0012  2375.22    282.243  2492.55    345.331  2139.13    489.842  66.699  4.8125  60.234  7.6834  6.465500       9.066090  
1 1 1 -22 43  18 o 27.394  7.7275  457.999    239.227  460.310    306.883  454.419    381.935  27.489  8.9689  27.786  9.9751  -0.2965031     13.41430  
1 1 1 -22 43  19 o 60.892  2.7813  2037.47    183.435  2241.52    350.303  1960.38    215.316  62.556  5.2178  59.444  3.3580  3.111881       6.204926  
1 1 1 -22 43  20 o 64.281  2.8570  2277.66    198.916  2053.63    409.270  2346.95    227.607  58.626  6.5577  65.094  3.2283  -6.467667      7.309252  
1 1 1 -22 43  21 o 51.718  8.1449  1695.50    441.152  1695.50    441.152  0.0000     0.0000   51.718  8.1449  ?       ?       0.000000       8.144950  
1 1 1 -22 43  22 o 25.160  9.9938  373.069    406.851  373.069    406.851  0.0000     0.0000   25.160  9.9938  ?       ?       0.000000       9.993787  
1 1 1 -22 43  23 o 20.889  9.1785  101.892    400.474  101.892    400.474  0.0000     0.0000   20.889  9.1785  ?       ?       0.000000       9.178471  
1 1 1 -22 43  24 o 16.331  7.8372  -352.3310  400.782  -352.3310  400.782  0.0000     0.0000   16.331  7.8372  ?       ?       0.000000       7.837201  
1 1 1 -22 43  25 o 30.037  10.503  701.844    421.093  701.844    421.093  0.0000     0.0000   30.037  10.503  ?       ?       0.000000       10.50319  
1 1 1 -22 44  1  o 41.436  7.1637  983.416    309.874  1169.94    416.468  752.092    463.798  44.717  8.9117  35.754  10.948  8.962566       14.11676  
1 1 1 -22 44  2  o 20.871  5.9497  247.003    141.046  232.640    148.955  371.571    438.666  20.414  6.1949  28.277  10.599  -7.862640      12.27650  
1 1 1 -22 44  3  o 68.158  2.9391  2528.89    216.969  2564.91    236.034  2332.53    551.054  68.612  3.1762  63.913  8.1456  4.699371       8.742952  
1 1 1 -22 44  4  o 148.747 3.4423  12068.48   554.582  12283.95   639.657  11416.21   1112.92  149.903 3.9397  142.782 7.2199  7.121048       8.224901  
1 1 1 -22 44  5  o 87.116  2.9285  4131.70    276.323  4295.48    313.055  3554.05    587.921  88.771  3.2560  79.582  6.8888  9.189018       7.619472  
1 1 1 -22 44  6  o 54.409  3.3776  1620.81    198.060  1723.42    222.424  1227.90    435.241  56.055  3.6840  45.728  9.1078  10.32740       9.824677  
1 1 1 -22 44  7  o 95.031  2.9612  4918.73    304.795  4842.16    346.797  5178.64    638.944  94.204  3.3989  96.424  6.1500  -2.220512      7.026744  
1 1 1 -22 44  8  o 21.966  1.2110  262.355    28.699   136.215    159.180  266.594    29.178   17.407  6.4116  22.142  1.2213  -4.735064      6.526898  
1 1 1 -22 44  9  o 39.401  5.1104  869.866    212.951  877.758    253.799  851.096    391.417  39.293  6.1665  37.719  9.5667  1.574512       11.38186  
1 1 1 -22 44  10 o 73.486  3.2118  2947.34    255.634  2925.53    293.831  3015.26    518.475  73.023  3.7275  73.146  6.6160  -0.1224289     7.593766  
1 1 1 -22 44  11 f 65.298  3.3570  2336.18    236.620  2313.07    271.526  2409.15    482.411  64.847  3.8838  65.111  6.9479  -0.2640381     7.959692  
1 1 1 -22 44  12 f 46.848  2.4369  1197.81    123.223  1525.49    259.479  1102.40    140.018  52.405  4.6187  44.865  2.8969  7.539734       5.452039  
1 1 1 -22 44  13 o 66.476  2.7664  2410.13    199.181  2799.97    307.814  2129.31    261.249  71.270  4.0038  62.151  3.9007  9.118988       5.589814  
1 1 1 -22 44  14 o 42.504  4.8490  1013.15    219.236  1033.36    259.770  963.123    408.719  42.635  5.7739  39.670  9.6131  2.964828       11.21382  
1 1 1 -22 44  15 o 42.898  5.0041  1035.32    228.138  1199.33    275.407  676.685    407.257  45.989  5.6477  33.266  10.271  12.72364       11.72169  
1 1 1 -22 44  16 o 49.961  2.1942  1359.37    118.731  1041.70    292.721  1421.93    129.897  42.369  6.5931  51.076  2.3481  -8.707153      6.998739  
1 1 1 -22 44  17 o 69.029  3.9812  2643.89    296.396  2749.76    366.507  2443.76    503.888  69.994  4.8647  64.546  7.3381  5.448265       8.804191  
1 1 1 -22 44  18 o 39.285  2.3538  846.349    99.695   1253.84    308.336  798.776    105.354  46.283  6.3157  38.116  2.5669  8.167019       6.817405  
1 1 1 -22 44  19 o 14.663  6.6324  -82.4168   225.544  -257.6688  290.825  182.056    357.265  14.757  6.9644  22.098  9.1456  -7.340664      11.49543  
1 1 1 -22 44  20 o 47.874  8.0634  1440.02    403.250  1440.02    403.250  0.0000     0.0000   47.874  8.0634  ?       ?       0.000000       8.063420  
1 1 1 -22 44  21 o 72.155  5.8820  3068.05    455.687  3068.05    455.687  0.0000     0.0000   72.155  5.8820  ?       ?       0.000000       5.882030  
1 1 1 -22 44  22 f 39.299  9.6560  1073.69    408.062  1073.69    408.062  0.0000     0.0000   39.299  9.6560  ?       ?       0.000000       9.656017  
1 1 1 -22 44  23 o 42.521  9.4322  1260.91    423.024  1260.91    423.024  0.0000     0.0000   42.521  9.4322  ?       ?       0.000000       9.432193  
1 1 1 -22 44  24 o 16.485  7.8459  -282.2311  384.301  -282.2311  384.301  0.0000     0.0000   16.485  7.8459  ?       ?       0.000000       7.845870  
1 1 1 -22 44  25 o 23.277  9.5395  316.659    383.761  316.659    383.761  0.0000     0.0000   23.277  9.5395  ?       ?       0.000000       9.539549  
1 1 1 -22 45  1  o 88.453  4.6625  4306.04    445.107  4821.16    613.531  3733.67    646.732  93.083  6.1196  81.341  7.4225  11.74162       9.619947  
1 1 1 -22 45  2  o 92.988  4.5684  4743.35    460.112  4877.52    625.765  4585.44    678.867  93.598  6.2079  90.412  6.9867  3.186523       9.346219  
1 1 1 -22 45  3  o 14.699  1.8118  119.010    28.234   0.7357     122.727  125.619    29.012   12.289  5.2383  15.108  1.8090  -2.818449      5.541835  
1 1 1 -22 45  4  f 60.659  3.1747  2010.61    207.851  2029.51    225.385  1903.17    537.494  60.899  3.4310  57.281  8.9569  3.617954       9.591527  
1 1 1 -22 45  5  o 41.284  3.7973  939.070    167.889  996.968    185.407  675.384    395.674  42.493  4.0785  33.889  10.055  8.604877       10.85055  
1 1 1 -22 45  6  o 112.087 3.0414  6844.98    369.232  7154.93    421.999  5832.89    762.570  114.510 3.4025  101.970 6.9459  12.53977       7.734536  
1 1 1 -22 45  7  o 24.413  5.9533  343.342    156.000  325.228    172.611  424.102    364.471  23.782  6.5107  28.148  9.7756  -4.366240      11.74526  
1 1 1 -22 45  8  o 48.461  3.6667  1291.02    191.036  1306.71    214.605  1231.15    419.293  48.665  4.1100  45.790  8.7738  2.874916       9.688684  
1 1 1 -22 45  9  o 50.517  4.2742  1410.22    231.668  1256.82    275.824  1777.63    426.864  47.358  5.4785  55.817  7.2308  -8.458412      9.071787  
1 1 1 -22 45  10 o 73.287  2.7462  2925.92    217.987  3262.53    303.407  2566.77    313.395  77.218  3.6277  68.232  4.2620  8.986328       5.596889  
1 1 1 -22 45  11 f 58.221  3.6539  1863.04    229.245  1800.62    265.017  2048.58    456.896  57.066  4.3197  59.862  7.1908  -2.795300      8.388523  
1 1 1 -22 45  12 o 24.807  6.6864  358.195    183.730  285.806    211.772  578.524    369.459  22.735  7.4522  31.273  9.8041  -8.538414      12.31487  
1 1 1 -22 45  13 o 23.538  7.2549  317.117    203.277  280.282    243.994  400.694    367.529  22.980  7.9973  27.351  9.7887  -4.370979      12.64026  
1 1 1 -22 45  14 o 70.043  2.7570  2677.27    209.159  2731.08    314.436  2634.57    280.121  70.291  4.1485  69.161  3.7536  1.129669       5.594595  
1 1 1 -22 45  15 o 54.370  4.1708  1639.90    243.736  1899.33    291.998  1043.81    442.612  58.370  4.6575  40.987  10.048  17.38273       11.07485  
1 1 1 -22 45  16 o 26.094  7.4261  404.972    219.926  408.260    270.876  398.613    376.721  26.344  8.4114  27.070  9.8797  -0.7260799     12.97534  
1 1 1 -22 45  17 o 18.853  7.4248  138.968    222.787  5.6444     281.870  360.902    363.672  18.013  7.8106  25.936  9.6644  -7.923666      12.42600  
1 1 1 -22 45  18 o 58.618  4.3408  1931.24    273.633  2227.03    338.360  1372.16    465.191  62.585  5.0341  46.177  9.6136  16.40771       10.85188  
1 1 1 -22 45  19 o 52.970  5.2788  1619.85    298.824  1789.94    398.318  1400.87    451.948  54.572  6.8926  46.360  9.3237  8.211987       11.59483  
1 1 1 -22 45  20 o 38.332  9.4039  982.158    387.481  982.158    387.481  0.0000     0.0000   38.332  9.4039  ?       ?       0.000000       9.403909  
1 1 1 -22 45  21 o 14.687  7.1181  -454.6989  350.875  -454.6989  350.875  0.0000     0.0000   14.687  7.1181  ?       ?       0.000000       7.118110  
1 1 1 -22 45  22 f 42.346  8.7612  1197.32    388.580  1197.32    388.580  0.0000     0.0000   42.346  8.7612  ?       ?       0.000000       8.761246  
1 1 1 -22 45  23 f 28.575  9.9126  588.406    374.707  588.406    374.707  0.0000     0.0000   28.575  9.9126  ?       ?       0.000000       9.912559  
1 1 1 -22 45  24 o 21.716  9.3490  190.729    398.046  190.729    398.046  0.0000     0.0000   21.716  9.3490  ?       ?       0.000000       9.348983  
1 1 1 -22 46  1  o 116.154 4.5751  7404.82    575.585  7267.99    800.745  7551.10    827.936  114.135 6.5044  116.294 6.6003  -2.158028      9.266656  
1 1 1 -22 46  2  o 83.999  7.0381  3966.55    634.420  0.0000     0.0000   3966.55    634.420  ?       ?       83.999  7.0381  0.000000       7.038104  
1 1 1 -22 46  3  o 70.759  2.8741  2725.76    220.271  2749.51    239.234  2593.51    564.529  71.034  3.1095  67.477  7.8723  3.557602       8.464191  
1 1 1 -22 46  4  o 75.517  2.9376  3105.67    240.277  3080.85    262.794  3232.16    593.284  75.172  3.2277  75.630  7.3349  -0.4583435     8.013657  
1 1 1 -22 46  5  o 49.117  2.2224  1310.75    118.230  1437.54    199.821  1242.45    146.656  51.174  3.6287  47.686  2.8526  3.487865       4.615706  
1 1 1 -22 46  6  o 63.711  3.1306  2212.83    216.032  2187.85    242.703  2308.13    474.012  63.192  3.5606  63.903  6.9612  -0.7109947     7.818954  
1 1 1 -22 46  7  o 23.882  6.1877  328.863    161.350  279.791    179.975  529.824    364.208  22.298  6.8187  30.407  9.7581  -8.109406      11.90445  
1 1 1 -22 46  8  f 74.999  3.0356  3066.61    246.590  3181.13    279.166  2660.03    526.018  76.326  3.3769  68.471  7.2008  7.855873       7.953337  
1 1 1 -22 46  9  o 5.2508  2.3044  -6.5865    25.176   179.114    218.676  -9.0810    25.344   20.053  7.4898  5.1506  2.2839  14.90261       7.830251  
1 1 1 -22 46  10 o 96.937  3.0647  5127.55    321.772  5275.48    370.039  4668.88    651.594  98.219  3.4784  91.016  6.6560  7.202713       7.510099  
1 1 1 -22 46  11 o 63.718  3.4791  2227.78    239.195  2387.49    276.192  1748.56    478.423  65.864  3.8889  54.717  8.3362  11.14746       9.198666  
1 1 1 -22 46  12 o 18.284  6.9973  136.835    193.558  85.391     230.280  260.663    357.272  18.174  7.4122  24.533  9.4762  -6.358812      12.03078  
1 1 1 -22 46  13 o 64.505  3.6102  2288.74    251.216  2415.78    295.235  1955.41    478.210  66.116  4.1437  57.965  7.8162  8.150764       8.846704  
1 1 1 -22 46  14 o 63.963  3.6833  2253.38    254.096  2240.27    298.515  2287.86    484.139  63.562  4.3625  62.997  7.2262  0.5658684      8.440932  
1 1 1 -22 46  15 o 66.866  2.7362  2441.73    198.165  2202.79    329.468  2577.16    248.049  62.765  4.8850  68.555  3.3406  -5.789951      5.917995  
1 1 1 -22 46  16 o 32.800  6.5945  633.818    226.154  749.013    277.915  408.001    389.109  35.372  7.4874  27.317  10.030  8.055193       12.51649  
1 1 1 -22 46  17 o 44.205  2.0648  1065.15    98.861   815.722    328.450  1090.00    103.669  36.223  8.5153  44.707  2.1409  -8.483932      8.780346  
1 1 1 -22 46  18 o 29.646  7.7607  547.645    252.116  432.332    329.330  710.904    391.859  26.628  9.2898  32.760  10.069  -6.132114      13.69965  
1 1 1 -22 46  19 o 24.140  8.2557  353.719    259.536  334.002    351.627  377.316    384.675  24.516  9.4195  25.633  9.8514  -1.117002      13.63005  
1 1 1 -22 46  20 o 34.268  9.3991  790.717    359.339  790.717    359.339  0.0000     0.0000   34.268  9.3991  ?       ?       0.000000       9.399126  
1 1 1 -22 46  21 o 24.640  9.6298  351.888    372.310  351.888    372.310  0.0000     0.0000   24.640  9.6298  ?       ?       0.000000       9.629764  
1 1 1 -22 46  22 o 19.851  8.7675  52.607     369.886  52.607     369.886  0.0000     0.0000   19.851  8.7675  ?       ?       0.000000       8.767529  
1 1 1 -22 46  23 o 23.077  9.5393  283.302    388.014  283.302    388.014  0.0000     0.0000   23.077  9.5393  ?       ?       0.000000       9.539348  
1 1 1 -22 46  24 o 21.365  9.2496  167.662    394.043  167.662    394.043  0.0000     0.0000   21.365  9.2496  ?       ?       0.000000       9.249610  
1 1 1 -22 47  1  o 59.688  5.4573  1983.24    348.899  2118.22    473.762  1823.28    515.743  61.070  7.3076  56.022  8.7889  5.047440       11.43006  
1 1 1 -22 47  2  o 63.382  5.2196  2229.20    355.138  2178.89    474.385  2293.33    535.660  61.996  7.1987  63.307  7.9901  -1.310650      10.75468  
1 1 1 -22 47  3  o 34.923  3.5848  672.957    133.671  601.462    139.654  1454.02    461.595  32.917  3.9993  49.886  8.8680  -16.96938      9.728065  
1 1 1 -22 47  4  o 91.918  2.8932  4601.35    288.037  4598.43    319.008  4614.27    670.139  91.830  3.2074  90.637  6.8776  1.192635       7.588717  
1 1 1 -22 47  5  o 39.348  3.8806  855.079    163.230  857.481    179.681  843.731    390.497  39.320  4.2886  37.606  9.5649  1.714436       10.48233  
1 1 1 -22 47  6  o 69.598  3.0922  2640.85    233.094  2894.70    263.259  1719.72    501.490  72.826  3.3375  54.299  8.8305  18.52703       9.440202  
1 1 1 -22 47  7  f 55.923  3.3888  1713.81    204.292  1741.49    230.316  1611.69    442.428  56.290  3.7999  52.843  7.9786  3.447041       8.837260  
1 1 1 -22 47  8  o 66.364  2.5282  2396.62    181.726  2747.51    252.598  2020.16    261.640  70.938  3.2876  60.580  4.0102  10.35765       5.185590  
1 1 1 -22 47  9  o 104.259 3.4897  5943.58    394.070  5411.04    475.296  7114.70    704.839  99.190  4.4241  112.994 5.7786  -13.80360      7.277677  
1 1 1 -22 47  10 o 32.149  5.5028  588.649    184.723  662.425    210.531  341.858    385.056  34.030  5.9274  26.601  9.9380  7.428923       11.57145  
1 1 1 -22 47  11 o 27.912  6.5312  454.293    193.948  341.633    225.749  771.811    378.987  24.485  7.6617  35.696  9.5956  -11.21044      12.27914  
1 1 1 -22 47  12 f 13.598  6.0720  -65.1631   182.367  -43.6432   213.915  -122.4109  348.900  15.209  6.6949  18.527  8.3266  -3.317720      10.68429  
1 1 1 -22 47  13 o 24.910  7.1487  362.277    202.956  361.402    241.831  364.362    373.251  25.090  7.9409  26.656  9.8180  -1.565496      12.62743  
1 1 1 -22 47  14 o 21.574  7.2072  255.486    197.753  342.216    234.336  40.920     368.581  24.456  7.8251  21.097  9.0374  3.359068       11.95432  
1 1 1 -22 47  15 o 37.170  5.6128  791.180    218.926  805.408    261.874  758.157    398.967  37.080  6.7699  34.843  10.030  2.236958       12.10075  
1 1 1 -22 47  16 o 42.816  5.5247  1048.39    250.228  1063.36    313.442  1022.07    415.503  42.448  7.0661  40.284  9.6499  2.163406       11.96032  
1 1 1 -22 47  17 o 53.621  4.7825  1626.24    274.838  1615.83    345.240  1644.27    454.134  52.728  6.1613  51.780  8.3842  0.9485855      10.40466  
1 1 1 -22 47  18 o 18.418  7.6191  100.775    247.782  268.617    336.543  -97.9119   366.162  23.280  9.1392  18.581  8.4237  4.699072       12.42911  
1 1 1 -22 47  19 o 50.651  7.5155  1576.52    399.792  1576.52    399.792  0.0000     0.0000   50.651  7.5155  ?       ?       0.000000       7.515471  
1 1 1 -22 47  20 o 22.773  9.2681  240.584    359.080  240.584    359.080  0.0000     0.0000   22.773  9.2681  ?       ?       0.000000       9.268142  
1 1 1 -22 47  21 o 27.135  9.5939  489.815    352.021  489.815    352.021  0.0000     0.0000   27.135  9.5939  ?       ?       0.000000       9.593907  
1 1 1 -22 47  22 o 21.519  9.0119  197.042    352.780  197.042    352.780  0.0000     0.0000   21.519  9.0119  ?       ?       0.000000       9.011854  
1 1 1 -22 47  23 o 17.303  7.9985  -119.5437  352.360  -119.5437  352.360  0.0000     0.0000   17.303  7.9985  ?       ?       0.000000       7.998471  
1 1 1 -22 47  24 o 25.090  9.7605  420.078    381.123  420.078    381.123  0.0000     0.0000   25.090  9.7605  ?       ?       0.000000       9.760465  
1 1 1 -22 48  1  o 29.385  1.6173  469.881    51.276   342.646    388.575  472.136    51.728   26.845  9.9924  29.455  1.6278  -2.609911      10.12408  
1 1 1 -22 48  2  o 79.680  4.7471  3503.55    407.827  3344.61    550.723  3696.55    606.863  77.156  6.6552  80.995  6.9861  -3.838676      9.648722  
1 1 1 -22 48  3  o 19.292  8.0054  68.665     274.762  251.396    354.899  -204.7274  434.102  24.557  9.4560  20.177  9.1567  4.379467       13.16293  
1 1 1 -22 48  4  o 36.745  3.8876  746.899    152.373  709.433    161.022  1067.84    471.274  35.728  4.2441  42.060  10.403  -6.332203      11.23523  
1 1 1 -22 48  5  o 67.386  2.4357  2469.46    177.770  2530.38    244.563  2401.20    258.853  68.090  3.3162  66.183  3.6248  1.906784       4.912878  
1 1 1 -22 48  6  o 34.120  4.5918  651.030    165.383  648.105    183.673  663.564    380.173  33.904  5.1650  33.450  9.8378  0.4536743      11.11120  
1 1 1 -22 48  7  o 50.283  2.2903  1374.66    124.735  1511.81    219.382  1309.15    151.630  52.397  3.8935  48.932  2.8736  3.465382       4.839099  
1 1 1 -22 48  8  o 42.326  4.0599  991.392    183.837  986.643    206.729  1009.34    401.920  42.095  4.6095  41.087  9.2540  1.008354       10.33850  
1 1 1 -22 48  9  o 76.475  4.5854  3232.38    378.059  3558.44    526.055  2884.08    543.693  79.628  6.1471  71.198  7.1469  8.430321       9.426844  
1 1 1 -22 48  10 o 124.368 3.1477  8447.31    424.002  8793.71    487.756  7375.97    857.781  126.747 3.5530  114.173 6.9699  12.57355       7.823267  
1 1 1 -22 48  11 o 34.615  1.8173  652.631    67.897   647.762    221.842  653.135    71.320   33.474  6.3511  34.618  1.9095  -1.144329      6.631962  
1 1 1 -22 48  12 o 51.767  2.3860  1459.18    133.779  1577.70    248.855  1411.02    158.654  53.326  4.3464  50.759  2.8978  2.566895       5.223858  
1 1 1 -22 48  13 o 43.528  2.2445  1033.95    105.456  1162.11    248.183  1005.71    116.496  45.463  5.1298  42.885  2.5191  2.577999       5.714993  
1 1 1 -22 48  14 o 24.761  7.6204  356.555    224.375  356.568    280.143  356.533    374.732  25.230  8.5774  26.395  9.8152  -1.165665      13.03494  
1 1 1 -22 48  15 o 20.705  7.3905  221.564    209.368  283.492    254.326  91.346     368.794  23.012  8.1527  21.664  9.1505  1.348455       12.25555  
1 1 1 -22 48  16 o 18.067  1.3812  178.287    26.822   48.824     274.933  179.531    26.951   18.497  7.8612  18.130  1.3829  0.3666840      7.981895  
1 1 1 -22 48  17 o 22.695  7.9544  291.721    241.584  231.594    313.562  379.541    378.955  22.429  8.8163  26.087  9.8365  -3.657576      13.20926  
1 1 1 -22 48  18 o 21.538  8.2530  234.492    269.474  182.543    384.850  284.462    377.446  22.564  9.4279  24.059  9.6039  -1.494555      13.45807  
1 1 1 -22 48  19 o 48.121  8.7027  1483.70    436.894  1483.70    436.894  0.0000     0.0000   48.121  8.7027  ?       ?       0.000000       8.702720  
1 1 1 -22 48  20 o 32.847  9.8247  745.481    376.642  745.481    376.642  0.0000     0.0000   32.847  9.8247  ?       ?       0.000000       9.824693  
1 1 1 -22 48  21 o 28.974  9.9351  583.872    375.885  583.872    375.885  0.0000     0.0000   28.974  9.9351  ?       ?       0.000000       9.935096  
1 1 1 -22 48  22 o 29.312  10.078  619.101    386.896  619.101    386.896  0.0000     0.0000   29.312  10.078  ?       ?       0.000000       10.07792  
1 1 1 -22 48  23 o 27.224  10.089  530.287    395.253  530.287    395.253  0.0000     0.0000   27.224  10.089  ?       ?       0.000000       10.08886  
1 1 1 -22 48  24 o 21.755  9.3470  192.996    396.391  192.996    396.391  0.0000     0.0000   21.755  9.3470  ?       ?       0.000000       9.347044  
1 1 1 -22 49  1  o 126.392 4.6326  8784.70    634.181  8360.13    887.583  9227.51    906.451  122.104 6.7374  128.425 6.5383  -6.320877      9.388383  
1 1 1 -22 49  2  o 68.181  5.0405  2576.34    369.592  2255.37    494.352  2983.11    556.517  62.938  7.3927  72.583  7.1728  -9.645092      10.30057  
1 1 1 -22 49  3  o 84.857  4.6920  3972.38    429.565  3858.80    581.549  4108.75    637.260  82.926  6.5276  85.388  6.9508  -2.462242      9.535375  
1 1 1 -22 49  4  o 52.312  1.9826  1486.21    112.332  1456.22    115.254  2055.29    502.065  51.776  2.0552  59.807  7.9474  -8.030769      8.208857  
1 1 1 -22 49  5  o 74.078  2.9148  2990.38    233.869  3101.31    261.993  2555.29    518.850  75.389  3.2086  67.056  7.2598  8.333778       7.937250  
1 1 1 -22 49  6  o 72.734  2.5429  2878.95    200.326  3041.74    266.464  2667.33    303.802  74.638  3.2962  69.637  4.0454  5.001045       5.218190  
1 1 1 -22 49  7  o 51.838  3.4290  1474.82    191.435  1572.16    213.992  1084.78    428.376  53.467  3.7184  42.529  9.5352  10.93761       10.23455  
1 1 1 -22 49  8  f 37.269  4.4440  774.440    175.850  856.131    196.539  446.542    393.759  39.140  4.7323  28.767  10.149  10.37261       11.19837  
1 1 1 -22 49  9  o 53.715  4.1365  1593.88    238.805  1553.74    282.978  1693.19    445.114  52.790  5.0092  54.075  7.8276  -1.285294      9.293142  
1 1 1 -22 49  10 o 30.908  5.4897  545.776    177.046  451.517    199.316  898.287    385.450  27.794  6.6995  38.554  9.3311  -10.75970      11.48705  
1 1 1 -22 49  11 o 20.639  6.8854  230.911    180.495  153.271    207.067  476.526    368.295  19.041  7.2491  28.955  9.8348  -9.914322      12.21774  
1 1 1 -22 49  12 o 39.859  4.8099  891.606    203.455  1050.66    235.399  421.961    404.497  43.216  5.1293  28.170  10.244  15.04547       11.45648  
1 1 1 -22 49  13 o 31.542  6.5240  581.010    215.526  676.939    258.415  361.788    390.646  33.866  7.2629  26.790  10.010  7.075726       12.36705  
1 1 1 -22 49  14 o 18.630  1.5881  189.862    31.739   203.645    231.143  189.597    32.043   20.711  7.7072  18.615  1.6050  2.096157       7.872577  
1 1 1 -22 49  15 o 16.718  6.9411  58.392     206.729  141.966    251.160  -117.1699  364.024  19.690  7.8423  18.765  8.4627  0.9247379      11.53774  
1 1 1 -22 49  16 o 38.000  5.8981  840.013    234.886  688.745    286.298  1151.47    410.817  33.443  8.0097  42.814  9.1375  -9.370853      12.15106  
1 1 1 -22 49  17 o 77.222  3.9288  3328.94    327.519  3540.39    406.101  2935.51    553.953  79.095  4.7626  69.884  7.4326  9.210861       8.827545  
1 1 1 -22 49  18 f 50.968  2.5241  1425.33    139.339  1458.93    380.356  1420.13    149.749  48.835  7.4248  50.748  2.7345  -1.912788      7.912353  
1 1 1 -22 49  19 o 36.146  9.4095  874.424    371.972  874.424    371.972  0.0000     0.0000   36.146  9.4095  ?       ?       0.000000       9.409465  
1 1 1 -22 49  20 o 29.386  10.502  593.555    422.941  593.555    422.941  0.0000     0.0000   29.386  10.502  ?       ?       0.000000       10.50245  
1 1 1 -22 49  21 o 26.712  9.7859  474.536    370.104  474.536    370.104  0.0000     0.0000   26.712  9.7859  ?       ?       0.000000       9.785900  
1 1 1 -22 49  22 o 21.198  9.0724  161.462    370.852  161.462    370.852  0.0000     0.0000   21.198  9.0724  ?       ?       0.000000       9.072437  
1 1 1 -22 49  23 o 27.396  10.119  537.661    397.009  537.661    397.009  0.0000     0.0000   27.396  10.119  ?       ?       0.000000       10.11941  
1 1 1 -22 50  1  o 98.570  4.0933  5327.82    437.003  5650.20    554.317  4798.43    710.332  101.178 5.0583  92.122  7.1758  9.055931       8.779418  
1 1 1 -22 50  2  o 77.065  3.4226  3244.36    285.684  3321.58    540.275  3214.38    336.590  76.844  6.5540  76.465  4.0789  0.3788605      7.719623  
1 1 1 -22 50  3  o 26.312  8.7054  384.005    288.743  308.073    374.401  495.451    453.586  25.902  9.7747  30.447  10.877  -4.545238      14.62364  
1 1 1 -22 50  4  o 28.117  4.3623  444.058    128.547  427.235    133.846  643.981    461.409  27.502  4.6598  33.303  11.004  -5.801743      11.94998  
1 1 1 -22 50  5  o 48.775  3.3894  1305.79    177.942  1359.91    192.890  996.617    461.017  49.737  3.6051  40.489  10.444  9.248131       11.04868  
1 1 1 -22 50  6  o 37.723  4.2639  791.084    171.157  896.964    190.234  341.189    392.136  40.154  4.4489  26.759  10.023  13.39462       10.96574  
1 1 1 -22 50  7  o 17.813  6.1605  161.943    144.674  198.029    158.137  -23.3213   358.312  19.279  6.4449  20.153  8.7724  -0.8733673     10.88540  
1 1 1 -22 50  8  o 59.829  3.3554  1962.55    216.558  1887.51    244.986  2230.74    463.166  58.548  3.8854  62.604  6.9479  -4.055744      7.960505  
1 1 1 -22 50  9  o 16.900  6.8322  78.413     193.665  -85.8842   230.306  475.079    357.852  15.181  6.7979  28.924  9.6950  -13.74386      11.84081  
1 1 1 -22 50  10 o 65.569  3.2649  2351.01    231.867  2093.57    263.097  3246.41    490.668  61.612  3.9636  75.963  6.0129  -14.35053      7.201715  
1 1 1 -22 50  11 o 16.945  6.5459  111.388    170.493  137.565    193.371  19.978     361.349  18.280  6.9943  20.703  8.9102  -2.422554      11.32751  
1 1 1 -22 50  12 o 44.309  4.6402  1096.96    219.390  863.162    256.845  1727.85    421.914  38.713  6.3455  54.649  7.3113  -15.93682      9.680921  
1 1 1 -22 50  13 o 31.347  6.2076  571.627    203.305  569.827    237.949  576.495    391.273  31.001  7.2209  31.022  10.128  -0.2087212E-01 12.43820  
1 1 1 -22 50  14 o 64.764  3.6489  2314.76    254.911  2311.45    298.363  2323.71    490.526  64.486  4.2964  63.172  7.3038  1.313797       8.473721  
1 1 1 -22 50  15 o 34.139  1.4439  633.010    53.389   293.702    277.587  646.044    54.404   23.455  8.4928  34.488  1.4564  -11.03352      8.616786  
1 1 1 -22 50  16 o 27.830  7.4473  473.780    228.900  575.017    282.061  278.503    391.739  30.353  8.3282  24.579  9.7927  5.773897       12.85518  
1 1 1 -22 50  17 o 20.315  8.0347  180.015    261.936  443.844    364.152  -102.8351  377.052  26.961  9.7327  18.805  8.5339  8.156528       12.94421  
1 1 1 -22 50  18 o 32.761  9.3595  711.389    348.648  711.389    348.648  0.0000     0.0000   32.761  9.3595  ?       ?       0.000000       9.359455  
1 1 1 -22 50  19 o 37.801  9.1350  946.963    369.846  946.963    369.846  0.0000     0.0000   37.801  9.1350  ?       ?       0.000000       9.134971  
1 1 1 -22 50  20 o 19.379  8.5590  24.916     352.493  24.916     352.493  0.0000     0.0000   19.379  8.5590  ?       ?       0.000000       8.558987  
1 1 1 -22 50  21 o 41.667  9.3315  1188.65    410.661  1188.65    410.661  0.0000     0.0000   41.667  9.3315  ?       ?       0.000000       9.331512  
1 1 1 -22 50  22 o 24.857  10.012  378.347    414.259  378.347    414.259  0.0000     0.0000   24.857  10.012  ?       ?       0.000000       10.01234  
1 1 1 -22 50  23 o 44.040  9.8700  1390.78    459.139  1390.78    459.139  0.0000     0.0000   44.040  9.8700  ?       ?       0.000000       9.869983  
1 1 1 -22 51  1  o 49.119  6.3398  1367.32    329.412  1654.73    447.280  1026.65    486.962  53.479  7.9650  40.968  10.815  12.51041       13.43180  
1 1 1 -22 51  2  o 73.237  4.9098  2971.30    387.206  2809.13    521.093  3171.25    578.593  70.429  6.9205  74.717  7.2405  -4.287994      10.01587  
1 1 1 -22 51  3  o 24.309  8.6513  302.148    286.700  476.345    370.286  41.409     453.023  29.189  9.8616  23.373  10.016  5.816408       14.05597  
1 1 1 -22 51  4  o 29.942  4.1756  501.174    131.731  517.298    137.325  315.272    466.283  30.403  4.2894  27.505  10.769  2.898109       11.59206  
1 1 1 -22 51  5  o 29.471  4.6515  489.405    143.554  484.758    152.586  525.208    423.533  29.246  4.9964  30.644  10.544  -1.397615      11.66773  
1 1 1 -22 51  6  o 17.111  6.1625  139.616    145.880  127.990    160.040  196.730    354.725  17.150  6.4070  23.454  9.3267  -6.303741      11.31536  
1 1 1 -22 51  7  o 52.721  3.3583  1525.20    190.766  1536.83    212.083  1475.92    436.594  52.842  3.7296  50.238  8.3146  2.603783       9.112712  
1 1 1 -22 51  8  o 47.055  3.7283  1220.76    188.461  1246.96    211.056  1117.66    418.643  47.462  4.1473  43.166  9.2336  4.295803       10.12226  
1 1 1 -22 51  9  o 37.774  5.7721  812.330    228.659  739.103    278.609  963.433    400.219  35.458  7.4893  39.894  9.4140  -4.436417      12.02973  
1 1 1 -22 51  10 o 24.001  1.0992  312.307    28.573   77.123     185.773  318.006    28.917   16.586  6.6964  24.219  1.1024  -7.632275      6.786577  
1 1 1 -22 51  11 o 35.888  2.2422  703.591    86.718   971.021    222.244  655.562    94.183   41.555  5.0410  34.595  2.5312  6.960625       5.640777  
1 1 1 -22 51  12 o 79.280  2.8133  3431.64    241.578  3666.42    326.788  3148.71    358.728  81.709  3.6926  75.376  4.4132  6.332420       5.754271  
1 1 1 -22 51  13 o 86.146  3.2519  4067.29    303.416  4178.08    351.646  3744.45    600.265  87.149  3.7254  80.724  6.9327  6.425095       7.870276  
1 1 1 -22 51  14 o 30.631  6.8439  557.163    221.334  604.294    269.652  459.835    387.495  31.584  7.9021  28.315  10.060  3.268419       12.79235  
1 1 1 -22 51  15 o 33.029  6.4431  645.440    222.218  541.935    267.840  874.049    398.055  29.683  8.1036  36.924  9.7930  -7.240730      12.71105  
1 1 1 -22 51  16 o 42.911  5.2711  1059.05    239.837  1194.01    291.423  775.781    422.201  45.165  6.1145  34.131  10.445  11.03371       12.10298  
1 1 1 -22 51  17 o 7.8650  2.5629  32.766     25.061   38.876     310.786  32.726     25.143   18.938  8.2065  7.8653  2.5673  11.07218       8.598699  
1 1 1 -22 51  18 o 22.847  9.0525  255.720    333.047  255.720    333.047  0.0000     0.0000   22.847  9.0525  ?       ?       0.000000       9.052456  
1 1 1 -22 51  19 o 51.475  7.2957  1630.58    395.370  1630.58    395.370  0.0000     0.0000   51.475  7.2957  ?       ?       0.000000       7.295701  
1 1 1 -22 51  20 o 27.611  9.5371  511.832    346.677  511.832    346.677  0.0000     0.0000   27.611  9.5371  ?       ?       0.000000       9.537069  
1 1 1 -22 51  21 o 26.228  10.014  451.657    395.854  451.657    395.854  0.0000     0.0000   26.228  10.014  ?       ?       0.000000       10.01399  
1 1 1 -22 51  22 o 43.836  9.5699  1350.31    441.623  1350.31    441.623  0.0000     0.0000   43.836  9.5699  ?       ?       0.000000       9.569932  
1 1 1 -22 51  23 o 54.408  8.3671  1962.70    477.275  1962.70    477.275  0.0000     0.0000   54.408  8.3671  ?       ?       0.000000       8.367139  
1 1 1 -22 52  1  o 100.889 4.5934  5605.21    501.936  5639.02    696.570  5568.71    723.910  100.201 6.4526  99.397  6.7644  0.8038330      9.348464  
1 1 1 -22 52  2  o 90.899  4.6385  4562.35    455.155  4466.12    621.922  4673.34    667.909  89.121  6.4875  90.997  6.8264  -1.876114      9.417415  
1 1 1 -22 52  3  o 91.431  3.9082  4582.19    387.025  4573.91    471.588  4599.27    677.350  90.950  4.8043  90.181  6.9893  0.7692566      8.481248  
1 1 1 -22 52  4  o 62.244  2.8798  2112.06    194.142  2087.60    207.828  2279.61    543.998  61.771  3.1164  62.771  8.1972  -1.000072      8.769608  
1 1 1 -22 52  5  o 87.180  2.8971  4144.01    273.556  4059.44    301.299  4540.80    652.664  86.216  3.2266  89.690  6.7684  -3.473946      7.498163  
1 1 1 -22 52  6  o 18.792  6.0446  193.116    139.688  186.332    151.507  231.580    360.761  18.760  6.3082  24.162  9.4692  -5.401527      11.37799  
1 1 1 -22 52  7  f 24.432  5.8554  345.615    152.928  364.884    168.046  252.739    368.930  25.063  6.2199  24.665  9.6009  0.3977890      11.43954  
1 1 1 -22 52  8  o 52.549  2.3414  1502.78    133.266  1678.10    224.020  1406.75    165.793  55.193  3.7700  50.671  3.0349  4.522800       4.839747  
1 1 1 -22 52  9  o 38.752  5.3665  849.263    219.199  896.867    261.111  735.640    403.400  39.540  6.3091  34.759  10.109  4.780922       11.91586  
1 1 1 -22 52  10 o 53.387  3.6577  1570.18    210.226  1544.48    238.099  1661.06    447.770  52.804  4.1977  53.302  8.0032  -0.4979019     9.037278  
1 1 1 -22 52  11 o 35.933  4.8468  727.448    183.823  756.183    206.981  620.158    399.950  36.484  5.4011  32.124  10.217  4.359882       11.55673  
1 1 1 -22 52  12 o 14.481  6.1928  5.4590     172.550  -44.0680   195.719  178.283    365.607  14.461  6.3828  23.085  9.3682  -8.624056      11.33591  
1 1 1 -22 52  13 o 30.220  1.8225  498.323    59.375   582.891    255.764  493.506    61.043   31.160  7.6375  30.066  1.8841  1.094473       7.866501  
1 1 1 -22 52  14 o 33.101  6.0211  639.265    207.915  660.791    243.474  581.290    399.566  33.303  6.9734  30.716  10.244  2.586765       12.39261  
1 1 1 -22 52  15 o 30.462  6.9025  559.239    222.470  648.187    269.828  370.410    393.142  32.480  7.7736  26.246  9.9894  6.234926       12.65770  
1 1 1 -22 52  16 o 42.171  1.8074  968.996    82.552   508.691    325.253  1000.69    85.347   28.320  9.2331  42.851  1.8389  -14.53040      9.414490  
1 1 1 -22 52  17 o 30.509  9.2582  608.533    332.687  608.533    332.687  0.0000     0.0000   30.509  9.2582  ?       ?       0.000000       9.258178  
1 1 1 -22 52  18 o 40.073  8.6154  1034.65    362.818  1034.65    362.818  0.0000     0.0000   40.073  8.6154  ?       ?       0.000000       8.615403  
1 1 1 -22 52  19 o 21.613  8.9522  186.866    342.711  186.866    342.711  0.0000     0.0000   21.613  8.9522  ?       ?       0.000000       8.952227  
1 1 1 -22 52  20 o 18.339  8.2622  -40.9841   345.992  -40.9841   345.992  0.0000     0.0000   18.339  8.2622  ?       ?       0.000000       8.262247  
1 1 1 -22 52  21 o 20.466  9.0130  77.813     388.079  77.813     388.079  0.0000     0.0000   20.466  9.0130  ?       ?       0.000000       9.012999  
1 1 1 -22 52  22 o 21.504  9.3375  151.318    403.975  151.318    403.975  0.0000     0.0000   21.504  9.3375  ?       ?       0.000000       9.337540  
1 1 1 -22 53  1  o 38.722  2.2887  818.332    95.563   1083.46    424.610  804.186    98.079   42.454  9.4745  38.374  2.3714  4.080021       9.766775  
1 1 1 -22 53  2  o 15.475  7.1054  -176.4758  271.542  -311.1021  352.891  18.944     425.167  16.708  7.8177  22.390  9.6507  -5.681917      12.41981  
1 1 1 -22 53  3  o 56.083  5.7711  1766.64    345.555  1679.57    458.608  1881.00    525.589  53.749  8.1318  56.593  8.8657  -2.844196      12.03025  
1 1 1 -22 53  4  o 85.660  3.1729  4006.88    294.383  3664.68    335.110  5163.60    616.114  81.778  3.7834  96.079  5.9498  -14.30105      7.050828  
1 1 1 -22 53  5  o 20.180  5.6749  232.915    129.226  210.500    134.656  494.141    459.693  19.360  5.8934  30.315  10.936  -10.95503      12.42333  
1 1 1 -22 53  6  o 17.745  5.9654  166.206    135.489  114.939    146.281  475.700    359.414  16.339  6.1212  28.959  9.7161  -12.62048      11.48352  
1 1 1 -22 53  7  o 53.853  2.3156  1578.05    135.063  1694.80    218.984  1506.38    171.586  55.495  3.6639  52.441  3.0339  3.054058       4.756950  
1 1 1 -22 53  8  o 43.849  3.8459  1063.08    180.809  931.979    200.868  1622.88    415.078  40.842  4.6221  52.984  7.4378  -12.14205      8.756965  
1 1 1 -22 53  9  o 21.812  7.2375  260.746    199.527  206.310    236.657  394.557    371.040  21.018  7.8031  27.285  9.8279  -6.267271      12.54897  
1 1 1 -22 53  10 o 15.799  6.2431  83.523     158.016  8.7562     175.169  410.175    366.138  14.684  6.2586  27.506  9.7780  -12.82126      11.60948  
1 1 1 -22 53  11 o 23.573  6.7777  323.417    182.283  270.407    207.768  500.610    379.860  22.145  7.3873  29.411  9.9880  -7.266451      12.42309  
1 1 1 -22 53  12 o 33.046  5.8134  630.077    200.478  658.152    232.333  548.235    396.678  33.514  6.6353  30.369  10.207  3.145157       12.17440  
1 1 1 -22 53  13 o 38.686  4.9787  848.268    203.773  861.802    234.470  806.497    411.934  38.715  5.7677  35.707  10.164  3.008087       11.68645  
1 1 1 -22 53  14 o 64.314  2.7560  2265.08    191.981  2603.13    314.082  2063.44    242.572  68.297  4.2673  61.013  3.6880  7.284058       5.640121  
1 1 1 -22 53  15 o 53.916  4.4670  1637.97    258.507  1674.35    312.937  1559.80    458.696  54.030  5.4206  49.985  8.7936  4.044483       10.33007  
1 1 1 -22 53  16 o 26.882  8.3324  452.751    267.715  828.052    366.325  22.539     392.210  35.533  9.3805  20.616  9.0703  14.91704       13.04854  
1 1 1 -22 53  17 o 42.445  7.9747  1125.76    353.156  1125.76    353.156  0.0000     0.0000   42.445  7.9747  ?       ?       0.000000       7.974689  
1 1 1 -22 53  18 o 31.942  9.4073  684.148    347.421  684.148    347.421  0.0000     0.0000   31.942  9.4073  ?       ?       0.000000       9.407343  
1 1 1 -22 53  19 o 55.710  6.8718  1888.99    405.857  1888.99    405.857  0.0000     0.0000   55.710  6.8718  ?       ?       0.000000       6.871809  
1 1 1 -22 53  20 o 18.038  8.1894  -67.0519   347.681  -67.0519   347.681  0.0000     0.0000   18.038  8.1894  ?       ?       0.000000       8.189382  
1 1 1 -22 53  21 o 24.226  9.7740  340.119    395.466  340.119    395.466  0.0000     0.0000   24.226  9.7740  ?       ?       0.000000       9.774040  
1 1 1 -22 53  22 o 31.963  10.521  770.070    421.968  770.070    421.968  0.0000     0.0000   31.963  10.521  ?       ?       0.000000       10.52136  
1 1 1 -22 54  1  o 66.360  5.2417  2455.12    373.678  2846.11    512.305  2010.60    546.248  70.833  6.7597  58.442  8.9117  12.39137       11.18530  
1 1 1 -22 54  2  o 108.039 4.6013  6435.53    538.428  6724.59    743.220  6116.27    781.095  109.432 6.2971  103.928 6.9796  5.504173       9.400418  
1 1 1 -22 54  3  o 123.899 4.7003  8470.40    630.757  8940.26    874.192  7960.14    910.997  126.135 6.4200  118.502 7.1310  7.633255       9.595185  
1 1 1 -22 54  4  o 15.687  7.1850  -168.3893  275.328  -279.8750  351.640  8.2481     442.620  16.949  7.8880  22.618  9.7976  -5.669653      12.57830  
1 1 1 -22 54  5  o 34.753  1.6262  655.568    61.210   655.555    61.721   656.336    476.914  34.752  1.6398  33.389  11.192  1.362320       11.31170  
1 1 1 -22 54  6  o 71.384  2.9942  2781.72    231.502  2910.67    259.193  2273.10    514.757  72.962  3.2799  62.735  7.7399  10.22770       8.406120  
1 1 1 -22 54  7  o 28.301  5.2335  457.695    154.514  506.367    169.122  211.892    380.061  29.746  5.4501  24.116  9.6336  5.630360       11.06844  
1 1 1 -22 54  8  o 33.145  4.9162  620.531    171.139  593.743    190.311  733.754    391.254  32.201  5.6635  34.718  9.9136  -2.517101      11.41727  
1 1 1 -22 54  9  o 81.118  3.6212  3608.19    318.158  3658.48    382.543  3495.37    573.009  81.346  4.3577  78.358  6.8196  2.988182       8.092985  
1 1 1 -22 54  10 o 59.955  2.2636  1956.79    146.990  1561.92    246.582  2174.46    183.074  53.036  4.3304  63.137  2.6772  -10.10107      5.091137  
1 1 1 -22 54  11 o 65.734  2.5434  2356.64    181.080  2350.78    277.943  2360.96    238.689  65.213  3.9537  65.535  3.3742  -0.3215485     5.197782  
1 1 1 -22 54  12 f 50.700  4.1207  1429.19    224.322  1493.73    259.424  1237.93    446.590  51.645  4.6889  44.774  9.5030  6.871239       10.59680  
1 1 1 -22 54  13 o 33.904  5.7834  666.609    204.756  711.222    238.001  539.540    401.670  34.741  6.5657  29.863  10.268  4.877480       12.18810  
1 1 1 -22 54  14 o 31.668  6.3817  595.337    211.331  518.806    248.597  794.751    401.289  29.075  7.7525  34.987  10.055  -5.912947      12.69687  
1 1 1 -22 54  15 o 40.401  1.9116  889.851    83.647   645.875    344.815  905.106    86.223   31.563  9.3914  40.740  1.9540  -9.176966      9.592492  
1 1 1 -22 54  16 o 21.401  8.4467  209.824    288.926  209.824    288.926  0.0000     0.0000   21.401  8.4467  ?       ?       0.000000       8.446710  
1 1 1 -22 54  17 o 33.714  9.0340  745.792    336.561  745.792    336.561  0.0000     0.0000   33.714  9.0340  ?       ?       0.000000       9.033986  
1 1 1 -22 54  18 o 27.470  9.4455  490.348    339.867  490.348    339.867  0.0000     0.0000   27.470  9.4455  ?       ?       0.000000       9.445518  
1 1 1 -22 54  19 o 16.936  7.8037  -138.4807  331.520  -138.4807  331.520  0.0000     0.0000   16.936  7.8037  ?       ?       0.000000       7.803677  
1 1 1 -22 54  20 o 28.318  10.433  559.209    421.538  559.209    421.538  0.0000     0.0000   28.318  10.433  ?       ?       0.000000       10.43325  
1 1 1 -22 54  21 o 30.303  10.359  676.502    408.643  676.502    408.643  0.0000     0.0000   30.303  10.359  ?       ?       0.000000       10.35920  
1 1 1 -22 54  22 o 25.500  9.8720  426.259    388.430  426.259    388.430  0.0000     0.0000   25.500  9.8720  ?       ?       0.000000       9.871993  
1 1 1 -22 55  1  o 17.055  7.5874  -79.5964   281.935  304.704    376.162  -572.2094  425.885  25.697  9.7736  16.686  8.0259  9.011522       12.64663  
1 1 1 -22 55  2  o 93.881  4.6376  4863.87    471.563  5021.62    645.203  4682.98    690.924  94.436  6.3448  90.758  7.0849  3.678734       9.510599  
1 1 1 -22 55  3  o 46.709  6.6597  1249.26    327.378  1159.56    431.737  1370.62    502.168  43.890  9.3672  47.479  10.077  -3.588169      13.75827  
1 1 1 -22 55  4  o 19.169  8.0417  57.359     281.705  146.471    362.319  -78.8509   447.948  22.690  9.2806  21.689  9.6105  1.000595       13.36003  
1 1 1 -22 55  5  o 34.237  3.9664  651.967    144.359  669.628    151.349  473.898    480.578  34.670  4.1105  30.093  11.130  4.576841       11.86489  
1 1 1 -22 55  6  o 51.024  3.2764  1429.35    180.111  1435.43    198.505  1401.00    428.436  51.058  3.6129  48.746  8.4192  2.311813       9.161606  
1 1 1 -22 55  7  o 58.179  3.2785  1856.95    205.747  1926.68    229.612  1572.85    463.475  59.187  3.5988  51.603  8.5947  7.584068       9.317791  
1 1 1 -22 55  8  o 74.999  2.9641  3071.57    240.777  3163.62    280.592  2814.48    468.912  76.014  3.4081  70.575  6.1972  5.439041       7.072481  
1 1 1 -22 55  9  o 69.814  3.2244  2666.95    243.814  2819.69    277.261  2145.95    512.061  71.703  3.5701  60.627  7.9930  11.07608       8.754041  
1 1 1 -22 55  10 o 32.372  6.3385  609.982    214.288  851.755    254.982  28.612     395.395  38.395  6.3537  21.557  9.2991  16.83753       11.26246  
1 1 1 -22 55  11 o 31.382  5.8658  570.412    192.049  684.587    219.896  203.318    394.294  34.361  6.1335  23.977  9.7292  10.38466       11.50121  
1 1 1 -22 55  12 o 40.469  2.4258  896.767    105.838  1256.28    234.562  804.861    118.598  47.306  4.6376  38.242  2.8845  9.063786       5.461511  
1 1 1 -22 55  13 o 28.968  5.8582  492.429    177.484  446.924    220.728  575.672    298.537  27.187  7.3292  30.461  8.6463  -3.274359      11.33471  
1 1 1 -22 55  14 o 35.182  5.9525  726.403    218.736  703.621    259.374  782.502    407.020  34.022  7.2599  34.485  10.190  -0.4626160     12.51149  
1 1 1 -22 55  15 o 31.269  6.9976  597.199    231.074  815.330    281.997  151.420    403.131  36.454  7.3950  22.567  9.5515  13.88727       12.07960  
1 1 1 -22 55  16 o 15.883  7.1833  -86.6848   264.426  -86.6848   264.426  0.0000     0.0000   15.883  7.1833  ?       ?       0.000000       7.183289  
1 1 1 -22 55  17 o 21.257  8.4582  206.508    291.893  206.508    291.893  0.0000     0.0000   21.257  8.4582  ?       ?       0.000000       8.458186  
1 1 1 -22 55  18 o 16.537  7.5680  -117.4987  304.594  -117.4987  304.594  0.0000     0.0000   16.537  7.5680  ?       ?       0.000000       7.568002  
1 1 1 -22 55  19 o 34.745  9.2277  822.145    353.117  822.145    353.117  0.0000     0.0000   34.745  9.2277  ?       ?       0.000000       9.227716  
1 1 1 -22 55  20 o 44.179  8.6127  1292.07    397.314  1292.07    397.314  0.0000     0.0000   44.179  8.6127  ?       ?       0.000000       8.612671  
1 1 1 -22 55  21 o 26.996  10.138  500.926    401.689  500.926    401.689  0.0000     0.0000   26.996  10.138  ?       ?       0.000000       10.13768  
1 1 1 -22 56  1  o 24.721  8.7539  321.142    293.181  298.332    394.682  349.225    437.922  25.864  9.9685  27.416  10.517  -1.552105      14.49073  
1 1 1 -22 56  2  o 88.199  4.7219  4309.20    449.445  4626.59    613.654  3941.94    660.108  90.627  6.2906  82.994  7.4218  7.633530       9.729030  
1 1 1 -22 56  3  o 83.362  4.7794  3852.83    429.725  3289.27    580.276  4537.24    639.474  75.916  7.1411  89.548  6.6405  -13.63257      9.751531  
1 1 1 -22 56  4  o 19.071  8.0401  48.530     283.852  19.708     366.250  91.882     449.180  20.863  8.9748  23.776  10.074  -2.912750      13.49170  
1 1 1 -22 56  5  o 55.186  3.1086  1669.03    185.053  1673.10    197.528  1639.77    529.094  55.208  3.3188  52.162  9.7228  3.046700       10.27360  
1 1 1 -22 56  6  o 30.392  0.7297  500.470    24.021   -119.4044  150.564  516.659    24.333   11.272  5.2167  30.880  0.7275  -19.60815      5.267175  
1 1 1 -22 56  7  o 38.134  4.0403  808.193    164.333  809.670    180.230  800.914    400.179  38.065  4.4558  36.177  9.9173  1.888783       10.87230  
1 1 1 -22 56  8  o 23.370  6.2479  317.893    161.201  324.297    178.538  289.640    375.009  23.616  6.6806  25.281  9.7243  -1.664192      11.79796  
1 1 1 -22 56  9  o 27.781  5.7481  447.138    167.258  471.669    185.474  340.326    387.011  28.433  6.1977  26.316  9.9363  2.116304       11.71073  
1 1 1 -22 56  10 o 64.258  3.9310  2283.01    272.271  2058.53    325.290  2808.25    497.579  60.618  4.9991  70.027  6.6397  -9.408985      8.311202  
1 1 1 -22 56  11 o 50.504  4.1454  1419.44    224.758  1591.95    260.531  917.471    444.419  53.361  4.5513  37.980  10.467  15.38075       11.41410  
1 1 1 -22 56  12 o 60.159  3.7274  2005.20    241.673  1934.68    279.551  2213.84    480.819  58.819  4.4204  61.299  7.3910  -2.480114      8.612053  
1 1 1 -22 56  13 o 13.772  6.1717  -63.3977   190.201  -133.0204  221.874  129.587    369.396  13.959  6.4142  21.905  9.2002  -7.946679      11.21542  
1 1 1 -22 56  14 o 28.547  7.1367  499.103    220.064  478.953    263.542  545.513    399.962  27.704  8.2028  29.334  10.237  -1.629601      13.11839  
1 1 1 -22 56  15 o 57.229  5.5780  1893.79    341.352  1893.79    341.352  0.0000     0.0000   57.229  5.5780  ?       ?       0.000000       5.577971  
1 1 1 -22 56  16 f 29.081  8.6239  543.119    291.124  543.119    291.124  0.0000     0.0000   29.081  8.6239  ?       ?       0.000000       8.623914  
1 1 1 -22 56  17 o 22.929  8.7304  286.645    300.367  286.645    300.367  0.0000     0.0000   22.929  8.7304  ?       ?       0.000000       8.730440  
1 1 1 -22 56  18 o 17.733  7.8316  -1.0697    295.060  -1.0697    295.060  0.0000     0.0000   17.733  7.8316  ?       ?       0.000000       7.831594  
1 1 1 -22 56  19 o 19.090  8.2527  72.113     312.769  72.113     312.769  0.0000     0.0000   19.090  8.2527  ?       ?       0.000000       8.252661  
1 1 1 -22 56  20 o 35.034  9.3177  854.231    359.707  854.231    359.707  0.0000     0.0000   35.034  9.3177  ?       ?       0.000000       9.317667  
1 1 1 -22 56  21 o 40.412  8.7836  1103.40    373.484  1103.40    373.484  0.0000     0.0000   40.412  8.7836  ?       ?       0.000000       8.783565  
1 1 1 -22 57  1  o 31.697  8.6238  601.090    303.941  596.619    411.249  606.471    451.198  31.782  10.383  32.198  10.886  -0.4158344     15.04370  
1 1 1 -22 57  2  o 37.253  7.8700  820.385    307.593  901.993    406.311  710.826    470.778  38.453  9.7437  34.322  11.103  4.131371       14.77195  
1 1 1 -22 57  3  o 82.369  4.8481  3765.73    430.611  3844.99    584.627  3671.72    636.644  82.391  6.6069  80.044  7.4280  2.346489       9.941157  
1 1 1 -22 57  4  o 51.365  6.2360  1499.11    339.821  1398.91    447.451  1635.66    522.355  48.495  8.8448  52.144  9.6028  -3.649429      13.05539  
1 1 1 -22 57  5  o 74.675  2.8665  3043.11    231.842  2993.38    251.348  3326.73    600.242  74.007  3.1357  76.168  7.3679  -2.160622      8.007415  
1 1 1 -22 57  6  o 29.456  4.9958  493.435    153.692  510.690    164.549  375.468    430.245  29.905  5.2729  27.683  10.471  2.221485       11.72353  
1 1 1 -22 57  7  o 51.627  3.4329  1466.56    190.866  1519.84    212.042  1239.11    438.150  52.480  3.7552  45.275  9.2475  7.204994       9.980927  
1 1 1 -22 57  8  o 41.894  3.9986  974.704    179.238  1076.55    198.836  533.111    414.030  43.985  4.2257  30.310  10.425  13.67513       11.24895  
1 1 1 -22 57  9  o 27.842  1.7162  422.749    51.500   474.389    200.609  419.105    53.286   28.378  6.6439  27.713  1.7847  0.6650677      6.879462  
1 1 1 -22 57  10 o 65.160  2.7666  2320.45    195.255  2424.73    325.743  2261.97    243.934  65.937  4.5898  64.058  3.5295  1.878738       5.789933  
1 1 1 -22 57  11 o 72.581  3.4027  2897.26    267.496  2869.48    308.912  2980.54    534.816  71.928  3.9807  71.607  6.9847  0.3206635      8.039376  
1 1 1 -22 57  12 o 57.172  3.8955  1818.29    239.784  2060.00    278.386  1123.49    471.983  60.716  4.2602  41.498  10.494  19.21808       11.32608  
1 1 1 -22 57  13 o 45.409  4.7399  1170.37    229.685  1087.58    269.736  1388.73    438.058  43.215  5.9182  47.028  8.9267  -3.812340      10.71032  
1 1 1 -22 57  14 f 48.050  2.9306  1274.83    151.786  2139.40    327.786  1038.84    171.254  61.277  4.9820  43.103  3.7042  18.17345       6.208170  
1 1 1 -22 57  15 o 25.923  9.1652  407.544    321.266  407.544    321.266  0.0000     0.0000   25.923  9.1652  ?       ?       0.000000       9.165236  
1 1 1 -22 57  16 o 48.452  6.5144  1400.94    333.203  1400.94    333.203  0.0000     0.0000   48.452  6.5144  ?       ?       0.000000       6.514400  
1 1 1 -22 57  17 o 23.043  8.6917  296.495    295.944  296.495    295.944  0.0000     0.0000   23.043  8.6917  ?       ?       0.000000       8.691703  
1 1 1 -22 57  18 o 27.732  9.1327  509.852    317.921  509.852    317.921  0.0000     0.0000   27.732  9.1327  ?       ?       0.000000       9.132729  
1 1 1 -22 57  19 o 28.810  10.025  577.462    383.426  577.462    383.426  0.0000     0.0000   28.810  10.025  ?       ?       0.000000       10.02535  
1 1 1 -22 57  20 o 27.649  9.4969  527.656    343.530  527.656    343.530  0.0000     0.0000   27.649  9.4969  ?       ?       0.000000       9.496898  
1 1 1 -22 57  21 o 29.913  9.9335  643.936    375.832  643.936    375.832  0.0000     0.0000   29.913  9.9335  ?       ?       0.000000       9.933548  
1 1 1 -22 58  1  o 19.449  8.1550  63.404     289.439  464.693    388.286  -438.4249  434.212  28.868  10.086  17.869  8.4566  10.99850       13.16232  
1 1 1 -22 58  2  o 21.877  8.4875  195.965    287.595  154.618    375.926  254.315    446.579  23.063  9.4456  25.983  10.420  -2.919443      14.06411  
1 1 1 -22 58  3  o 157.014 5.0781  13677.55   863.595  14172.66   1208.09  13160.18   1234.96  158.084 7.0557  151.881 7.5072  6.202881       10.30253  
1 1 1 -22 58  4  o 141.309 4.9035  11063.29   750.498  12258.09   1030.25  9712.42    1095.48  147.537 6.4472  129.969 7.8184  17.56828       10.13383  
1 1 1 -22 58  5  o 17.488  5.2768  171.891    108.300  149.799    111.346  559.174    466.207  16.625  5.4014  31.312  11.044  -14.68650      12.29411  
1 1 1 -22 58  6  o 14.228  1.6535  111.398    25.005   111.436    25.041   98.432     466.136  14.230  1.6557  24.085  10.236  -9.854813      10.36906  
1 1 1 -22 58  7  o 35.108  2.4270  674.803    91.723   1141.77    192.670  537.959    104.300  45.379  3.9597  31.206  3.1280  14.17331       5.046124  
1 1 1 -22 58  8  o 49.960  3.6479  1378.52    196.029  1450.04    219.087  1091.39    438.973  51.152  3.9859  41.983  9.8273  9.168343       10.60491  
1 1 1 -22 58  9  o 52.182  3.6030  1504.05    202.387  1599.49    226.386  1124.14    451.671  53.726  3.9174  42.393  9.9989  11.33224       10.73896  
1 1 1 -22 58  10 o 69.067  3.9050  2642.51    290.923  2422.59    350.972  3125.40    520.072  65.665  4.9717  73.671  6.5873  -8.005730      8.252847  
1 1 1 -22 58  11 o 47.630  4.9676  1284.57    252.499  1371.62    307.796  1105.44    441.530  48.790  5.9477  41.602  9.9356  7.187855       11.57979  
1 1 1 -22 58  12 o 39.430  2.2944  851.948    97.563   1128.94    271.906  811.016    104.523  44.140  5.8301  38.420  2.5259  5.720531       6.353727  
1 1 1 -22 58  13 o 19.623  7.6998  165.955    238.775  338.146    305.473  -104.4855  382.828  24.435  8.8998  19.032  8.6220  5.402458       12.39130  
1 1 1 -22 58  14 o 41.758  8.0942  1084.89    352.869  1084.89    352.869  0.0000     0.0000   41.758  8.0942  ?       ?       0.000000       8.094163  
1 1 1 -22 58  15 o 60.933  5.7093  2155.93    372.403  2155.93    372.403  0.0000     0.0000   60.933  5.7093  ?       ?       0.000000       5.709309  
1 1 1 -22 58  16 o 70.936  5.7633  2933.71    438.971  2933.71    438.971  0.0000     0.0000   70.936  5.7633  ?       ?       0.000000       5.763285  
1 1 1 -22 58  17 o 35.052  8.6489  805.296    326.339  805.296    326.339  0.0000     0.0000   35.052  8.6489  ?       ?       0.000000       8.648924  
1 1 1 -22 58  18 o 24.690  8.9986  377.957    312.370  377.957    312.370  0.0000     0.0000   24.690  8.9986  ?       ?       0.000000       8.998631  
1 1 1 -22 58  19 o 21.894  9.2264  192.680    373.517  192.680    373.517  0.0000     0.0000   21.894  9.2264  ?       ?       0.000000       9.226360  
1 1 1 -22 58  20 o 23.087  9.1075  301.113    335.747  301.113    335.747  0.0000     0.0000   23.087  9.1075  ?       ?       0.000000       9.107546  
1 1 1 -22 59  1  o 102.450 4.6498  5807.79    515.958  5929.56    717.697  5677.54    742.273  102.297 6.5113  99.817  6.9083  2.480827       9.493257  
1 1 1 -22 59  2  o 88.057  4.7393  4304.95    450.342  4446.65    616.420  4142.75    659.520  88.574  6.4702  85.011  7.2315  3.562912       9.703532  
1 1 1 -22 59  3  o 26.023  8.8584  377.829    298.806  369.125    391.468  389.978    462.514  26.979  10.032  28.294  10.819  -1.314997      14.75457  
1 1 1 -22 59  4  o 92.245  3.9901  4682.50    398.659  4926.46    485.874  4179.90    697.383  94.181  4.7788  85.085  7.6492  9.096100       9.019243  
1 1 1 -22 59  5  o 70.322  2.0868  2690.15    158.940  2172.24    264.810  2981.79    198.714  62.720  3.9178  73.967  2.4804  -11.24704      4.636934  
1 1 1 -22 59  6  o 56.216  3.2467  1736.30    196.845  1770.77    211.119  1506.92    544.580  56.721  3.4529  49.182  10.540  7.538799       11.09134  
1 1 1 -22 59  7  o 82.849  2.9773  3753.84    267.170  3801.85    301.403  3577.78    577.184  83.272  3.3418  79.022  6.8102  4.249992       7.585920  
1 1 1 -22 59  8  o 25.883  5.8267  391.151    159.408  274.370    174.723  971.057    389.351  21.848  6.7247  39.709  9.2284  -17.86058      11.41865  
1 1 1 -22 59  9  o 80.829  3.0889  3581.49    270.422  3753.81    306.604  2977.90    573.818  82.636  3.4256  71.283  7.5470  11.35268       8.288052  
1 1 1 -22 59  10 o 51.781  4.3483  1500.35    241.615  1430.19    285.271  1678.43    454.467  50.145  5.3343  52.767  8.2196  -2.621803      9.798838  
1 1 1 -22 59  11 o 36.614  5.2778  770.865    203.253  738.521    233.477  872.093    413.047  35.397  6.3219  36.631  10.089  -1.234276      11.90640  
1 1 1 -22 59  12 o 18.967  7.4411  150.962    222.972  270.206    273.539  -85.1650   384.922  22.591  8.3887  19.341  8.7141  3.250011       12.09569  
1 1 1 -22 59  13 o 27.764  1.9165  422.227    57.278   631.500    317.936  415.207    58.230   31.360  8.9303  27.523  1.9663  3.837749       9.144181  
1 1 1 -22 59  14 o 49.282  6.6931  1446.97    348.018  1446.97    348.018  0.0000     0.0000   49.282  6.6931  ?       ?       0.000000       6.693069  
1 1 1 -22 59  15 o 33.982  8.9897  754.145    335.984  754.145    335.984  0.0000     0.0000   33.982  8.9897  ?       ?       0.000000       8.989697  
1 1 1 -22 59  16 o 21.076  8.9362  130.193    353.859  130.193    353.859  0.0000     0.0000   21.076  8.9362  ?       ?       0.000000       8.936192  
1 1 1 -22 59  17 o 32.303  8.8056  692.595    316.534  692.595    316.534  0.0000     0.0000   32.303  8.8056  ?       ?       0.000000       8.805608  
1 1 1 -22 59  18 o 20.910  8.5403  191.054    306.268  191.054    306.268  0.0000     0.0000   20.910  8.5403  ?       ?       0.000000       8.540318  
1 1 1 -22 59  19 o 29.508  9.5482  607.756    348.164  607.756    348.164  0.0000     0.0000   29.508  9.5482  ?       ?       0.000000       9.548246  
1 1 1 -22 59  20 o 45.051  8.0078  1313.93    376.427  1313.93    376.427  0.0000     0.0000   45.051  8.0078  ?       ?       0.000000       8.007833  
1 1 1 -22 60  1  o 51.381  5.5563  1492.06    304.286  1494.75    467.771  1490.09    400.638  49.842  8.9959  50.486  7.5592  -0.6439400     11.75025  
1 1 1 -22 60  2  o 19.976  8.2159  103.040    285.927  125.944    375.738  71.530     440.713  22.499  9.3509  23.150  9.8986  -0.6515789     13.61694  
1 1 1 -22 60  3  o 26.464  8.8569  398.932    298.651  141.067    392.141  755.061    460.840  23.079  9.5691  34.900  10.951  -11.82087      14.54281  
1 1 1 -22 60  4  o 88.019  4.7850  4310.27    454.458  4114.23    614.340  4547.22    675.390  84.891  6.7369  89.048  7.0605  -4.157104      9.758891  
1 1 1 -22 60  5  o 72.295  5.1050  2924.35    397.168  3078.31    528.891  2725.24    601.439  73.332  6.7341  68.007  8.3400  5.325363       10.71931  
1 1 1 -22 60  6  o 71.377  3.0187  2787.58    233.370  2751.27    253.458  2989.82    598.135  70.839  3.3034  71.503  7.8526  -0.6644821     8.519149  
1 1 1 -22 60  7  o 100.046 2.9513  5476.88    319.800  5481.04    361.451  5461.86    686.219  99.939  3.3392  97.792  6.5160  2.147392       7.321805  
1 1 1 -22 60  8  o 73.291  2.5867  2934.07    205.342  3041.45    277.693  2804.52    305.022  74.375  3.4472  71.139  3.9746  3.235512       5.261256  
1 1 1 -22 60  9  o 62.465  2.5059  2131.60    169.539  2231.06    257.607  2055.60    225.180  63.456  3.7649  61.023  3.4207  2.433632       5.086874  
1 1 1 -22 60  10 o 61.296  2.6105  2055.90    173.313  1985.72    305.765  2089.12    210.372  59.346  4.7980  61.563  3.1657  -2.217216      5.748257  
1 1 1 -22 60  11 o 50.804  4.0870  1445.39    222.986  1420.86    255.737  1523.18    455.422  50.071  4.7734  49.408  8.8345  0.6628609      10.04161  
1 1 1 -22 60  12 o 23.755  7.5116  339.084    216.428  563.584    258.779  -183.4315  394.793  30.078  7.8572  18.501  8.5215  11.57772       11.59103  
1 1 1 -22 60  13 o 26.423  8.4184  433.037    271.440  433.037    271.440  0.0000     0.0000   26.423  8.4184  ?       ?       0.000000       8.418379  
1 1 1 -22 60  14 o 18.730  8.2818  -12.9401   330.933  -12.9401   330.933  0.0000     0.0000   18.730  8.2818  ?       ?       0.000000       8.281850  
1 1 1 -22 60  15 o 24.429  9.3908  329.406    349.592  329.406    349.592  0.0000     0.0000   24.429  9.3908  ?       ?       0.000000       9.390760  
1 1 1 -22 60  16 o 18.602  8.2195  1.7564     325.411  1.7564     325.411  0.0000     0.0000   18.602  8.2195  ?       ?       0.000000       8.219460  
1 1 1 -22 60  17 o 30.624  10.306  655.248    404.359  655.248    404.359  0.0000     0.0000   30.624  10.306  ?       ?       0.000000       10.30555  
1 1 1 -22 60  18 o 32.280  9.7131  729.241    367.324  729.241    367.324  0.0000     0.0000   32.280  9.7131  ?       ?       0.000000       9.713122  
1 1 1 -22 60  19 o 16.668  7.6136  -93.9800   306.359  -93.9800   306.359  0.0000     0.0000   16.668  7.6136  ?       ?       0.000000       7.613576  
1 1 1 -22 61  1  o 70.625  5.1707  2796.36    392.777  2972.25    542.048  2601.90    569.942  71.797  7.0618  66.525  8.0755  5.272179       10.72769  
1 1 1 -22 61  2  o 22.246  1.8851  270.973    44.992   428.259    386.742  268.815    45.300   27.889  10.035  22.153  1.9065  5.735916       10.21446  
1 1 1 -22 61  3  o 23.837  8.7560  288.141    296.586  475.127    389.304  29.501     457.859  28.840  10.098  22.913  9.9451  5.926855       14.17316  
1 1 1 -22 61  4  o 19.553  8.1857  74.704     290.908  -4.7613    376.220  192.865    458.762  20.583  8.9736  25.028  10.361  -4.444761      13.70705  
1 1 1 -22 61  5  o 63.392  2.8808  2197.50    197.798  1889.19    479.323  2260.77    217.149  56.509  8.0598  64.244  3.1207  -7.735252      8.642908  
1 1 1 -22 61  6  o 106.848 2.9030  6246.73    335.953  5967.92    372.900  7448.25    774.109  104.280 3.3016  114.394 6.2717  -10.11443      7.087657  
1 1 1 -22 61  7  o 116.812 3.0092  7477.04    380.726  7293.00    432.257  8113.79    804.040  115.146 3.4660  119.259 6.2464  -4.113403      7.143538  
1 1 1 -22 61  8  o 86.823  3.0130  4134.09    283.337  4188.28    320.125  3938.14    608.759  87.247  3.3877  82.363  6.8873  4.883461       7.675325  
1 1 1 -22 61  9  o 21.194  6.6358  260.359    169.316  175.119    188.367  618.968    386.363  18.899  6.9725  31.283  10.052  -12.38444      12.23326  
1 1 1 -22 61  10 o 42.427  4.9876  1026.66    224.821  1144.52    263.542  711.614    430.871  44.551  5.5842  32.964  10.617  11.58733       11.99631  
1 1 1 -22 61  11 o 16.722  6.9240  70.254     204.911  -39.0661   243.181  337.924    380.522  15.990  7.0832  25.324  9.7802  -9.334091      12.07577  
1 1 1 -22 61  12 o 53.948  5.6962  1683.88    327.806  1683.88    327.806  0.0000     0.0000   53.948  5.6962  ?       ?       0.000000       5.696220  
1 1 1 -22 61  13 o 20.821  8.4553  167.703    298.045  167.703    298.045  0.0000     0.0000   20.821  8.4553  ?       ?       0.000000       8.455274  
1 1 1 -22 61  14 o 39.689  7.5944  974.516    314.569  974.516    314.569  0.0000     0.0000   39.689  7.5944  ?       ?       0.000000       7.594372  
1 1 1 -22 61  15 o 29.798  9.9073  591.997    373.804  591.997    373.804  0.0000     0.0000   29.798  9.9073  ?       ?       0.000000       9.907257  
1 1 1 -22 61  16 o 23.335  9.0327  297.274    325.158  297.274    325.158  0.0000     0.0000   23.335  9.0327  ?       ?       0.000000       9.032740  
1 1 1 -22 61  17 o 27.638  10.183  507.105    401.579  507.105    401.579  0.0000     0.0000   27.638  10.183  ?       ?       0.000000       10.18320  
1 1 1 -22 61  18 o 29.656  9.8863  616.976    372.136  616.976    372.136  0.0000     0.0000   29.656  9.8863  ?       ?       0.000000       9.886317  
1 1 1 -22 61  19 o 27.398  10.016  511.283    387.413  511.283    387.413  0.0000     0.0000   27.398  10.016  ?       ?       0.000000       10.01595  
1 1 1 -22 62  1  f 39.024  7.8576  912.724    320.624  1237.84    438.812  540.367    469.615  44.820  9.3421  30.550  11.049  14.27017       14.46902  
1 1 1 -22 62  2  o 57.569  5.7443  1882.82    353.394  1990.40    475.488  1750.05    528.207  58.148  7.7422  53.448  9.4710  4.699474       12.23283  
1 1 1 -22 62  3  o 33.831  8.4919  698.636    310.687  573.340    410.065  867.489    476.035  30.822  10.378  36.813  11.053  -5.991291      15.16150  
1 1 1 -22 62  4  o 28.908  8.8900  505.087    305.431  424.696    396.823  621.937    478.419  27.759  10.139  32.032  11.196  -4.272749      15.10404  
1 1 1 -22 62  5  o 26.043  8.8880  389.815    300.812  532.496    386.109  169.462    479.829  29.768  10.070  24.892  10.472  4.875156       14.52803  
1 1 1 -22 62  6  o 12.262  5.2365  4.0079     123.060  23.280     127.549  -255.3857  467.940  12.949  5.4205  19.961  9.2234  -7.011469      10.69827  
1 1 1 -22 62  7  o 20.010  6.1833  229.962    147.556  234.905    156.866  191.992    434.778  20.268  6.3935  24.242  10.066  -3.974243      11.92452  
1 1 1 -22 62  8  o 41.580  4.1557  969.499    184.647  1019.87    205.418  757.540    421.388  42.523  4.5299  34.179  10.430  8.343433       11.37136  
1 1 1 -22 62  9  o 32.249  5.5105  604.990    185.561  598.463    208.409  629.960    407.617  31.768  6.2796  31.336  10.342  0.4322243      12.09933  
1 1 1 -22 62  10 o 53.763  5.1803  1650.63    297.922  1694.61    385.876  1585.74    468.770  53.513  6.8121  50.285  8.9343  3.227951       11.23508  
1 1 1 -22 62  11 o 16.470  6.9757  42.341     215.251  42.341     215.251  0.0000     0.0000   16.470  6.9757  ?       ?       0.000000       6.975660  
1 1 1 -22 62  12 o 43.625  6.7207  1135.84    307.360  1135.84    307.360  0.0000     0.0000   43.625  6.7207  ?       ?       0.000000       6.720651  
1 1 1 -22 62  13 o 62.619  5.3555  2255.84    359.733  2255.84    359.733  0.0000     0.0000   62.619  5.3555  ?       ?       0.000000       5.355507  
1 1 1 -22 62  14 o 29.044  9.3607  549.851    334.871  549.851    334.871  0.0000     0.0000   29.044  9.3607  ?       ?       0.000000       9.360669  
1 1 1 -22 62  15 o 22.943  8.8911  279.302    315.314  279.302    315.314  0.0000     0.0000   22.943  8.8911  ?       ?       0.000000       8.891087  
1 1 1 -22 62  16 o 19.569  8.3743  90.152     315.908  90.152     315.908  0.0000     0.0000   19.569  8.3743  ?       ?       0.000000       8.374306  
1 1 1 -22 62  17 o 16.058  7.6874  -371.7812  380.517  -371.7812  380.517  0.0000     0.0000   16.058  7.6874  ?       ?       0.000000       7.687415  
1 1 1 -22 62  18 o 40.070  9.4502  1101.92    403.480  1101.92    403.480  0.0000     0.0000   40.070  9.4502  ?       ?       0.000000       9.450192  
1 1 1 -22 62  19 o 20.037  8.8144  61.933     370.259  61.933     370.259  0.0000     0.0000   20.037  8.8144  ?       ?       0.000000       8.814367  
1 1 1 -22 63  1  o 67.572  5.2974  2579.59    384.599  2882.03    533.111  2251.36    555.384  70.329  7.0956  61.074  8.6368  9.254856       11.17774  
1 1 1 -22 63  2  o 54.752  2.8834  1645.79    170.388  1981.92    470.552  1595.06    182.793  57.872  7.6980  53.828  3.1490  4.043591       8.317205  
1 1 1 -22 63  3  o 23.314  8.7392  271.075    298.253  576.572    393.273  -142.4976  457.579  30.649  10.161  20.790  9.4216  9.858622       13.85661  
1 1 1 -22 63  4  o 39.109  7.8662  923.115    321.659  884.581    421.010  977.150    498.545  37.205  10.161  38.595  11.241  -1.390862      15.15309  
1 1 1 -22 63  5  o 47.259  6.7722  1307.37    336.736  1628.19    440.049  854.069    523.072  52.075  8.0624  36.039  11.707  16.03685       14.21468  
1 1 1 -22 63  6  o 54.776  1.8628  1633.08    110.519  1256.05    188.083  1831.92    136.587  47.559  3.6800  57.961  2.1757  -10.40291      4.275023  
1 1 1 -22 63  7  o 44.261  3.7350  1090.82    177.380  1009.04    191.017  1603.01    478.044  42.399  4.2155  50.826  9.0139  -8.427189      9.950904  
1 1 1 -22 63  8  o 46.123  3.7030  1184.82    183.424  1179.88    202.187  1207.79    436.005  45.879  4.1124  43.492  9.5200  2.387592       10.37026  
1 1 1 -22 63  9  o 42.144  1.7220  966.744    78.605   614.410    261.932  1001.61    82.403   31.539  7.7283  42.891  1.7738  -11.35202      7.929240  
1 1 1 -22 63  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 63  11 o 58.201  4.9459  1928.01    308.820  1928.01    308.820  0.0000     0.0000   58.201  4.9459  ?       ?       0.000000       4.945869  
1 1 1 -22 63  12 o 51.161  6.1671  1536.72    334.846  1536.72    334.846  0.0000     0.0000   51.161  6.1671  ?       ?       0.000000       6.167134  
1 1 1 -22 63  13 o 51.945  6.4904  1602.86    357.194  1602.86    357.194  0.0000     0.0000   51.945  6.4904  ?       ?       0.000000       6.490391  
1 1 1 -22 63  14 o 14.060  6.7357  -335.7904  293.220  -335.7904  293.220  0.0000     0.0000   14.060  6.7357  ?       ?       0.000000       6.735712  
1 1 1 -22 63  15 o 23.097  9.1057  275.954    335.418  275.954    335.418  0.0000     0.0000   23.097  9.1057  ?       ?       0.000000       9.105733  
1 1 1 -22 63  16 o 46.468  8.3002  1385.79    402.420  1385.79    402.420  0.0000     0.0000   46.468  8.3002  ?       ?       0.000000       8.300203  
1 1 1 -22 63  17 o 32.197  10.337  744.252    408.669  744.252    408.669  0.0000     0.0000   32.197  10.337  ?       ?       0.000000       10.33701  
1 1 1 -22 63  18 o 21.223  8.9972  159.880    358.620  159.880    358.620  0.0000     0.0000   21.223  8.9972  ?       ?       0.000000       8.997174  
1 1 1 -22 64  1  o 17.117  1.7228  160.941    31.505   160.872    31.588   173.929    434.608  17.112  1.7280  23.927  10.010  -6.815310      10.15807  
1 1 1 -22 64  2  o 34.269  8.4504  726.199    311.681  1215.02    416.936  107.009    469.253  44.245  9.0065  23.701  10.176  20.54437       13.58934  
1 1 1 -22 64  3  o 29.715  8.8614  546.273    306.743  369.098    403.953  787.575    471.422  26.538  10.120  34.757  11.096  -8.218531      15.01803  
1 1 1 -22 64  4  o 48.174  6.6580  1358.79    338.112  1326.28    446.617  1402.44    517.503  46.053  9.2745  46.532  10.516  -0.4792900     14.02119  
1 1 1 -22 64  5  o 60.154  5.6632  2070.24    364.628  1671.82    478.901  2619.77    562.436  52.105  8.7992  66.056  8.0262  -13.95062      11.90989  
1 1 1 -22 64  6  o 34.975  4.1159  688.664    152.931  675.409    160.575  818.031    501.658  34.543  4.3911  35.008  11.469  -0.4650688     12.28126  
1 1 1 -22 64  7  o 34.931  4.7889  696.881    176.412  620.330    188.108  1255.69    508.237  32.652  5.5155  43.371  10.847  -10.71884      12.16890  
1 1 1 -22 64  8  o 51.871  3.9756  1504.37    221.655  1506.01    253.318  1499.01    457.862  51.639  4.5765  48.860  8.9829  2.779213       10.08150  
1 1 1 -22 64  9  o 31.152  7.2752  593.653    241.025  593.653    241.025  0.0000     0.0000   31.152  7.2752  ?       ?       0.000000       7.275230  
1 1 1 -22 64  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 64  11 o 67.259  4.8381  2568.27    350.093  2568.27    350.093  0.0000     0.0000   67.259  4.8381  ?       ?       0.000000       4.838101  
1 1 1 -22 64  12 o 30.956  7.9068  603.358    266.055  603.358    266.055  0.0000     0.0000   30.956  7.9068  ?       ?       0.000000       7.906759  
1 1 1 -22 64  13 o 16.373  7.4184  -91.2673   283.515  -91.2673   283.515  0.0000     0.0000   16.373  7.4184  ?       ?       0.000000       7.418367  
1 1 1 -22 64  14 f 20.143  8.5371  110.439    322.765  110.439    322.765  0.0000     0.0000   20.143  8.5371  ?       ?       0.000000       8.537119  
1 1 1 -22 64  15 o 35.758  9.3869  863.199    368.167  863.199    368.167  0.0000     0.0000   35.758  9.3869  ?       ?       0.000000       9.386924  
1 1 1 -22 64  16 o 46.037  8.2307  1360.56    395.344  1360.56    395.344  0.0000     0.0000   46.037  8.2307  ?       ?       0.000000       8.230665  
1 1 1 -22 64  17 f 27.115  10.074  485.837    394.611  485.837    394.611  0.0000     0.0000   27.115  10.074  ?       ?       0.000000       10.07427  
1 1 1 -22 64  18 o 39.848  9.4186  1087.90    400.075  1087.90    400.075  0.0000     0.0000   39.848  9.4186  ?       ?       0.000000       9.418579  
1 1 1 -22 65  1  o 25.740  1.0942  359.477    30.504   363.036    30.578   -373.2914  438.746  25.867  1.0914  18.066  8.5348  7.800604       8.604283  
1 1 1 -22 65  2  o 26.328  8.8752  413.777    299.909  496.584    398.264  305.314    455.808  28.705  10.199  26.013  10.494  2.691414       14.63327  
1 1 1 -22 65  3  o 33.358  8.6192  696.826    313.641  782.740    415.341  582.829    478.430  34.645  10.307  30.716  11.145  3.928478       15.18064  
1 1 1 -22 65  4  o 46.992  6.8416  1305.35    338.001  1476.93    448.967  1080.88    513.521  48.773  8.8237  39.965  11.339  8.808083       14.36739  
1 1 1 -22 65  5  o 35.425  11.488  847.341    503.817  0.0000     0.0000   847.341    503.817  ?       ?       35.425  11.488  0.000000       11.48840  
1 1 1 -22 65  6  o 45.325  3.7342  1145.51    181.686  1041.27    193.818  1900.78    521.718  43.030  4.2127  55.163  9.0457  -12.13329      9.978512  
1 1 1 -22 65  7  o 44.719  4.0518  1121.66    194.119  1204.44    208.609  587.060    530.106  46.292  4.2066  30.780  11.627  15.51122       12.36484  
1 1 1 -22 65  8  o 63.166  4.2837  2238.50    291.338  2238.50    291.338  0.0000     0.0000   63.166  4.2837  ?       ?       0.000000       4.283710  
1 1 1 -22 65  9  o 52.929  4.8014  1590.58    272.258  1590.58    272.258  0.0000     0.0000   52.929  4.8014  ?       ?       0.000000       4.801440  
1 1 1 -22 65  10 o 30.216  9.9195  591.566    375.169  591.566    375.169  0.0000     0.0000   30.216  9.9195  ?       ?       0.000000       9.919542  
1 1 1 -22 65  11 o 24.539  8.3078  362.773    262.801  362.773    262.801  0.0000     0.0000   24.539  8.3078  ?       ?       0.000000       8.307836  
1 1 1 -22 65  12 o 38.763  6.9544  911.961    281.250  911.961    281.250  0.0000     0.0000   38.763  6.9544  ?       ?       0.000000       6.954438  
1 1 1 -22 65  13 o 35.349  7.9561  790.975    297.262  790.975    297.262  0.0000     0.0000   35.349  7.9561  ?       ?       0.000000       7.956062  
1 1 1 -22 65  14 o 25.433  9.1686  398.907    323.005  398.907    323.005  0.0000     0.0000   25.433  9.1686  ?       ?       0.000000       9.168648  
1 1 1 -22 65  15 o 26.163  8.8979  440.286    301.473  440.286    301.473  0.0000     0.0000   26.163  8.8979  ?       ?       0.000000       8.897938  
1 1 1 -22 65  16 o 48.641  8.1990  1518.03    416.594  1518.03    416.594  0.0000     0.0000   48.641  8.1990  ?       ?       0.000000       8.199005  
1 1 1 -22 65  17 o 20.784  8.7321  156.251    332.947  156.251    332.947  0.0000     0.0000   20.784  8.7321  ?       ?       0.000000       8.732065  
1 1 1 -22 66  1  o 19.675  8.9797  -148.6501  425.050  0.0000     0.0000   -148.6501  425.050  ?       ?       19.675  8.9797  0.000000       8.979737  
1 1 1 -22 66  2  o 22.140  9.6823  43.542     441.038  0.0000     0.0000   43.542     441.038  ?       ?       22.140  9.6823  0.000000       9.682324  
1 1 1 -22 66  3  o 26.738  10.634  357.972    461.136  0.0000     0.0000   357.972    461.136  ?       ?       26.738  10.634  0.000000       10.63364  
1 1 1 -22 66  4  o 51.878  2.7746  1480.32    155.339  0.0000     0.0000   1480.32    155.339  ?       ?       51.878  2.7746  0.000000       2.774619  
1 1 1 -22 66  5  o 32.182  11.364  676.589    493.705  0.0000     0.0000   676.589    493.705  ?       ?       32.182  11.364  0.000000       11.36353  
1 1 1 -22 66  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 66  7  o 10.145  4.9468  -302.2980  176.574  -302.2980  176.574  0.0000     0.0000   10.145  4.9468  ?       ?       0.000000       4.946766  
1 1 1 -22 66  8  o 31.975  6.5697  613.676    219.916  613.676    219.916  0.0000     0.0000   31.975  6.5697  ?       ?       0.000000       6.569694  
1 1 1 -22 66  9  o 25.656  7.5916  404.127    225.782  404.127    225.782  0.0000     0.0000   25.656  7.5916  ?       ?       0.000000       7.591571  
1 1 1 -22 66  10 o 19.000  8.5926  -90.5913   378.333  -90.5913   378.333  0.0000     0.0000   19.000  8.5926  ?       ?       0.000000       8.592587  
1 1 1 -22 66  11 o 68.033  4.9386  2638.56    361.426  2638.56    361.426  0.0000     0.0000   68.033  4.9386  ?       ?       0.000000       4.938561  
1 1 1 -22 66  12 o 22.479  8.1674  285.481    257.043  285.481    257.043  0.0000     0.0000   22.479  8.1674  ?       ?       0.000000       8.167425  
1 1 1 -22 66  13 o 17.008  7.4692  -2.4290    264.909  -2.4290    264.909  0.0000     0.0000   17.008  7.4692  ?       ?       0.000000       7.469248  
1 1 1 -22 66  14 o 26.976  8.2456  468.077    263.216  468.077    263.216  0.0000     0.0000   26.976  8.2456  ?       ?       0.000000       8.245647  
1 1 1 -22 66  15 o 29.732  9.8097  605.843    366.733  605.843    366.733  0.0000     0.0000   29.732  9.8097  ?       ?       0.000000       9.809653  
1 1 1 -22 66  16 o 34.676  8.9072  805.871    336.297  805.871    336.297  0.0000     0.0000   34.676  8.9072  ?       ?       0.000000       8.907181  
1 1 1 -22 66  17 o 28.542  9.4311  553.381    338.928  553.381    338.928  0.0000     0.0000   28.542  9.4311  ?       ?       0.000000       9.431103  
1 1 1 -22 67  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 67  10 f 22.681  9.2219  217.154    355.079  217.154    355.079  0.0000     0.0000   22.681  9.2219  ?       ?       0.000000       9.221895  
1 1 1 -22 67  11 o 28.062  8.3844  501.155    274.415  501.155    274.415  0.0000     0.0000   28.062  8.3844  ?       ?       0.000000       8.384436  
1 1 1 -22 67  12 o 41.764  7.6825  1085.18    334.712  1085.18    334.712  0.0000     0.0000   41.764  7.6825  ?       ?       0.000000       7.682467  
1 1 1 -22 67  13 o 24.285  8.5914  358.098    282.336  358.098    282.336  0.0000     0.0000   24.285  8.5914  ?       ?       0.000000       8.591387  
1 1 1 -22 67  14 o 15.150  7.0368  -167.8017  277.591  -167.8017  277.591  0.0000     0.0000   15.150  7.0368  ?       ?       0.000000       7.036805  
1 1 1 -22 67  15 o 33.541  9.0596  758.124    336.874  758.124    336.874  0.0000     0.0000   33.541  9.0596  ?       ?       0.000000       9.059631  
1 1 1 -22 67  16 o 53.013  6.9570  1723.10    389.814  1723.10    389.814  0.0000     0.0000   53.013  6.9570  ?       ?       0.000000       6.956960  
1 1 1 -22 68  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 68  14 o 64.953  5.6318  2473.09    392.278  2473.09    392.278  0.0000     0.0000   64.953  5.6318  ?       ?       0.000000       5.631781  
1 1 1 -22 68  15 o 30.202  9.2277  616.438    329.686  616.438    329.686  0.0000     0.0000   30.202  9.2277  ?       ?       0.000000       9.227680  
1 1 1 -22 69  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 69  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 70  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 71  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 72  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 73  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 74  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 75  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 76  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 77  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 78  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 78  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 78  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 78  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -22 78  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   1  o 165.001 4.9687  14810.46   886.144  14810.46   886.144  14810.46   886.144  165.001 4.9687  165.001 4.9687  -0.000000      0.000000  
1 1 1 -21 0   2  o 107.328 4.2946  6276.51    497.418  6276.51    497.418  6276.51    497.418  107.328 4.2946  107.328 4.2946  -0.000000      0.000000  
1 1 1 -21 0   3  o 117.641 4.5678  7539.83    580.022  7539.83    580.022  7539.83    580.022  117.641 4.5678  117.641 4.5678  0.000000       0.000000  
1 1 1 -21 0   4  o 223.081 6.0060  27080.45   1448.78  27080.45   1448.78  27080.45   1448.78  223.081 6.0060  223.081 6.0060  -0.000000      0.000000  
1 1 1 -21 0   5  o 248.101 6.4965  33510.04   1743.02  33510.04   1743.02  33510.04   1743.02  248.101 6.4965  248.101 6.4965  0.000000       0.000000  
1 1 1 -21 0   6  o 62.081  5.3214  2137.36    351.765  2137.36    351.765  2137.36    351.765  62.081  5.3214  62.081  5.3214  0.000000       0.000000  
1 1 1 -21 0   7  f 65.765  5.2419  2391.87    367.927  2391.87    367.927  2391.87    367.927  65.765  5.2419  65.765  5.2419  0.000000       0.000000  
1 1 1 -21 0   8  o 36.170  8.6200  821.755    293.047  821.755    293.047  821.755    293.047  36.170  8.6200  36.170  8.6200  0.000000       0.000000  
1 1 1 -21 0   9  o 73.289  5.1689  2959.60    405.620  2959.60    405.620  2959.60    405.620  73.289  5.1689  73.289  5.1689  -0.000000      0.000000  
1 1 1 -21 0   10 o 85.478  4.7127  4002.51    433.277  4002.51    433.277  4002.51    433.277  85.478  4.7127  85.478  4.7127  0.000000       0.000000  
1 1 1 -21 0   11 o 15.169  9.4163  86.615     309.807  86.615     309.807  86.615     309.807  15.169  9.4163  15.169  9.4163  -0.000000      0.000000  
1 1 1 -21 0   12 f 46.234  6.8484  1238.23    320.823  1238.23    320.823  1238.23    320.823  46.234  6.8484  46.234  6.8484  -0.000000      0.000000  
1 1 1 -21 0   13 o 40.127  7.2954  960.090    286.017  960.090    286.017  960.090    286.017  40.127  7.2954  40.127  7.2954  0.000000       0.000000  
1 1 1 -21 0   14 o 13.290  8.2464  67.779     237.347  67.779     237.347  67.779     237.347  13.290  8.2464  13.290  8.2464  0.000000       0.000000  
1 1 1 -21 0   15 o 28.179  9.4551  560.478    257.626  560.478    257.626  560.478    257.626  28.179  9.4551  28.179  9.4551  -0.000000      0.000000  
1 1 1 -21 0   16 o 130.720 4.5672  9335.32    644.848  9335.32    644.848  9335.32    644.848  130.720 4.5672  130.720 4.5672  -0.000000      0.000000  
1 1 1 -21 0   17 o 38.806  7.5033  911.347    281.419  911.347    281.419  911.347    281.419  38.806  7.5033  38.806  7.5033  0.000000       0.000000  
1 1 1 -21 0   18 o 69.146  4.7727  2644.52    353.525  2644.52    353.525  2644.52    353.525  69.146  4.7727  69.146  4.7727  -0.000000      0.000000  
1 1 1 -21 0   19 f 38.674  8.8307  942.973    322.285  942.973    322.285  942.973    322.285  38.674  8.8307  38.674  8.8307  0.000000       0.000000  
1 1 1 -21 0   20 o 85.761  5.0618  4065.58    466.432  4065.58    466.432  4065.58    466.432  85.761  5.0618  85.761  5.0618  -0.000000      0.000000  
1 1 1 -21 0   21 o 79.077  5.0304  3466.98    426.844  3466.98    426.844  3466.98    426.844  79.077  5.0304  79.077  5.0304  -0.000000      0.000000  
1 1 1 -21 0   22 o 90.814  4.7708  4557.20    466.300  4557.20    466.300  4557.20    466.300  90.814  4.7708  90.814  4.7708  0.000000       0.000000  
1 1 1 -21 0   23 o 71.021  5.2147  2820.26    396.165  2820.26    396.165  2820.26    396.165  71.021  5.2147  71.021  5.2147  -0.000000      0.000000  
1 1 1 -21 0   24 o 12.136  8.1348  -88.1199   299.016  -88.1199   299.016  -88.1199   299.016  12.136  8.1348  12.136  8.1348  0.000000       0.000000  
1 1 1 -21 0   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 0   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 1   1  o 193.182 3.8283  20253.49   801.027  19791.96   1130.29  20719.18   1135.38  190.757 5.4706  195.189 5.3705  -4.432571      7.666162  
1 1 1 -21 1   2  o 190.216 3.8136  19635.78   785.689  19742.68   1110.25  19528.55   1112.02  190.536 5.3799  189.494 5.4181  1.041718       7.635383  
1 1 1 -21 1   3  o 329.990 5.7730  59257.23   2063.35  60543.64   2918.24  57971.21   2917.78  332.778 8.0965  325.564 8.2746  7.214752       11.57678  
1 1 1 -21 1   4  o 255.098 4.6428  35353.77   1282.80  35027.41   1813.34  35680.71   1814.95  253.506 6.6042  255.872 6.5489  -2.366821      9.300776  
1 1 1 -21 1   5  o 174.167 3.6314  16460.56   685.034  16325.09   967.136  16596.97   970.441  173.273 5.1533  174.713 5.1283  -1.440308      7.270227  
1 1 1 -21 1   6  o 247.139 4.5466  33185.75   1217.02  33526.41   1721.02  32845.01   1721.25  248.004 6.4070  245.454 6.4745  2.550049       9.108711  
1 1 1 -21 1   7  o 256.234 4.6928  35688.35   1302.38  36787.38   1841.97  34589.63   1841.71  259.693 6.5487  251.759 6.7541  7.934479       9.407587  
1 1 1 -21 1   8  o 70.826  3.4345  2722.46    263.466  2822.94    371.184  2620.43    374.026  71.890  4.7945  69.222  5.0229  2.668091       6.943830  
1 1 1 -21 1   9  o 173.159 3.6967  16282.17   693.305  15752.78   979.688  16813.27   981.276  170.073 5.3184  175.734 5.1554  -5.661285      7.407022  
1 1 1 -21 1   10 o 64.626  3.8883  2277.61    270.900  2251.45    382.582  2303.91    383.642  64.017  5.5733  64.773  5.5211  -0.7555313     7.845027  
1 1 1 -21 1   11 o 63.946  3.7824  2230.19    260.806  2408.91    358.139  2028.41    380.551  66.296  5.0250  60.662  5.8652  5.634415       7.723414  
1 1 1 -21 1   12 o 104.087 3.3073  5885.79    372.855  5625.48    517.055  6167.80    538.172  101.597 4.6988  106.386 4.6705  -4.788559      6.625146  
1 1 1 -21 1   13 o 40.598  4.6629  910.630    201.314  947.510    240.142  823.434    369.252  41.265  5.5106  37.738  9.1325  3.527561       10.66633  
1 1 1 -21 1   14 o 26.165  6.5203  391.472    184.114  328.561    270.070  446.098    251.657  25.023  8.4222  27.988  7.9364  -2.965073      11.57241  
1 1 1 -21 1   15 o 27.888  6.1317  444.399    180.171  374.926    255.989  512.597    253.629  26.012  8.1619  29.824  7.7727  -3.812649      11.27084  
1 1 1 -21 1   16 o 76.253  3.2135  3165.04    265.400  2889.15    374.317  3443.94    376.357  72.475  4.7956  79.247  4.4021  -6.771652      6.509723  
1 1 1 -21 1   17 o 52.637  4.0859  1523.23    231.117  1401.21    351.084  1616.55    307.025  49.847  6.6701  53.964  5.3223  -4.117016      8.533306  
1 1 1 -21 1   18 o 29.950  6.0935  514.316    190.938  603.391    268.141  422.688    271.955  32.145  7.7844  27.249  8.3902  4.896135       11.44514  
1 1 1 -21 1   19 o 55.979  4.1349  1726.74    248.931  1850.17    329.139  1561.77    380.505  57.638  5.3328  52.428  6.8657  5.209396       8.693496  
1 1 1 -21 1   20 o 24.016  7.5036  326.661    216.619  311.263    305.329  342.266    307.372  24.764  8.9158  25.485  8.9698  -0.7212505     12.64705  
1 1 1 -21 1   21 o 51.402  4.6298  1470.81    254.990  1323.90    345.558  1646.43    377.817  47.979  6.8436  53.678  6.6401  -5.699154      9.535517  
1 1 1 -21 1   22 o 41.227  5.3411  962.838    232.888  889.603    322.340  1042.81    336.845  38.626  7.9693  42.021  7.6843  -3.394806      11.07064  
1 1 1 -21 1   23 o 54.295  6.5641  1701.32    378.179  1701.32    378.179  0.0000     0.0000   54.295  6.5641  ?       ?       0.000000       6.564134  
1 1 1 -21 1   24 o 18.237  7.9976  -20.1349   302.737  -20.1349   302.737  0.0000     0.0000   18.237  7.9976  ?       ?       0.000000       7.997606  
1 1 1 -21 1   25 o 44.863  2.5254  1105.73    122.213  1105.73    122.213  0.0000     0.0000   44.863  2.5254  ?       ?       0.000000       2.525354  
1 1 1 -21 1   26 o 24.214  9.4184  331.481    354.837  331.481    354.837  0.0000     0.0000   24.214  9.4184  ?       ?       0.000000       9.418375  
1 1 1 -21 1   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 1   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 1   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 1   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 2   1  o 185.171 3.7192  18606.41   745.926  18950.19   1057.08  18265.46   1052.73  186.691 5.2277  183.276 5.3032  3.414474       7.446725  
1 1 1 -21 2   2  o 134.562 3.2379  9820.78    471.902  9768.82    667.505  9872.70    667.237  134.103 4.5956  134.816 4.5695  -0.7134247     6.480760  
1 1 1 -21 2   3  o 229.389 4.3132  28573.19   1071.61  28562.85   1515.18  28583.54   1515.81  229.036 6.1079  229.119 6.1082  -0.8285522E-01 8.638059  
1 1 1 -21 2   4  o 403.054 6.8842  88594.26   3005.31  92313.45   4251.37  84879.31   4248.94  410.095 9.5714  393.005 9.9819  17.08978       13.82928  
1 1 1 -21 2   5  o 152.044 3.3870  12541.25   557.778  12292.96   784.568  12794.99   793.137  150.397 4.8164  153.443 4.7724  -3.045227      6.780324  
1 1 1 -21 2   6  o 119.403 3.0998  7732.80    400.879  7774.25    565.841  7691.03    568.022  119.632 4.3669  118.987 4.4075  0.6453857      6.204536  
1 1 1 -21 2   7  f 116.985 3.1615  7423.92    400.589  7588.97    565.638  7257.84    567.403  118.183 4.4189  115.566 4.5331  2.617058       6.330515  
1 1 1 -21 2   8  o 197.778 3.8442  21240.55   823.487  20852.64   1163.82  21629.49   1165.36  195.689 5.4910  199.320 5.3981  -3.630127      7.699984  
1 1 1 -21 2   9  o 99.144  3.2793  5334.71    352.142  5751.49    489.517  4887.73    506.948  102.857 4.3941  94.641  4.9629  8.215698       6.628547  
1 1 1 -21 2   10 o 71.196  3.6122  2760.11    277.634  2962.61    401.949  2575.36    383.936  73.578  5.0748  68.557  5.2095  5.021561       7.272722  
1 1 1 -21 2   11 o 161.940 3.4628  14245.26   607.362  13868.02   864.824  14612.41   853.172  159.518 5.0055  163.783 4.8095  -4.264999      6.941630  
1 1 1 -21 2   12 o 37.136  4.7637  763.812    187.186  743.810    239.237  795.389    300.587  36.347  6.3056  37.347  7.6872  -1.000019      9.942493  
1 1 1 -21 2   13 o 54.944  3.8678  1651.11    228.704  1602.69    273.179  1764.59    418.178  53.998  4.7183  56.204  7.0227  -2.206615      8.460546  
1 1 1 -21 2   14 o 15.134  6.4125  8.8508     182.015  189.463    257.821  -170.6111  256.998  21.464  8.1086  15.192  6.9521  6.272547       10.68094  
1 1 1 -21 2   15 o 43.356  4.2827  1035.96    198.485  889.562    281.493  1180.72    279.913  39.600  6.8085  46.020  5.7406  -6.419846      8.905606  
1 1 1 -21 2   16 o 150.484 3.3798  12333.26   550.867  12007.81   779.517  12657.93   778.571  148.039 4.8616  152.042 4.7279  -4.002548      6.781434  
1 1 1 -21 2   17 o 53.225  3.7838  1553.97    216.709  1442.15    306.138  1666.29    306.809  50.858  5.6533  54.816  5.2311  -3.958363      7.702177  
1 1 1 -21 2   18 o 101.961 3.1014  5664.74    342.505  5712.92    483.157  5616.07    485.602  102.086 4.3697  101.200 4.4303  0.8860779      6.222681  
1 1 1 -21 2   19 o 169.677 3.6244  15737.64   666.090  15990.69   937.936  15480.16   946.104  170.271 5.0858  167.452 5.2165  2.819107       7.285436  
1 1 1 -21 2   20 o 38.495  5.5961  838.728    226.489  690.221    318.732  990.201    321.900  34.040  8.6324  41.270  7.4767  -7.229706      11.42013  
1 1 1 -21 2   21 o 43.997  5.8391  1098.90    271.382  822.333    327.468  1705.34    484.911  37.109  8.3493  53.728  8.6245  -16.61934      12.00390  
1 1 1 -21 2   22 o 88.677  4.7428  4373.20    453.873  4373.20    453.873  0.0000     0.0000   88.677  4.7428  ?       ?       0.000000       4.742752  
1 1 1 -21 2   23 o 43.698  7.2848  1125.14    332.646  1125.14    332.646  0.0000     0.0000   43.698  7.2848  ?       ?       0.000000       7.284773  
1 1 1 -21 2   24 o 25.700  9.0854  374.182    315.681  374.182    315.681  0.0000     0.0000   25.700  9.0854  ?       ?       0.000000       9.085374  
1 1 1 -21 2   25 o 33.119  9.3040  709.346    347.540  709.346    347.540  0.0000     0.0000   33.119  9.3040  ?       ?       0.000000       9.304049  
1 1 1 -21 2   26 f 17.851  8.1088  -83.3924   341.476  -83.3924   341.476  0.0000     0.0000   17.851  8.1088  ?       ?       0.000000       8.108832  
1 1 1 -21 2   27 o 27.119  8.1493  487.310    258.693  378.043    368.732  593.222    363.029  24.741  9.6072  29.004  9.7647  -4.263660      13.69841  
1 1 1 -21 2   28 o ?       ?       -169.9212  38.610   -173.5699  38.729   419.237    492.132  ?       ?       25.646  10.684  0.000000       10.68379  
1 1 1 -21 2   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 2   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 3   1  o 102.862 3.1448  5738.27    350.368  5672.11    486.817  5809.35    504.654  102.197 4.3980  103.419 4.5053  -1.221748      6.296055  
1 1 1 -21 3   2  o 188.203 3.7658  19221.59   767.633  18502.17   1078.72  19959.63   1092.60  184.448 5.3997  191.594 5.2651  -7.146881      7.541749  
1 1 1 -21 3   3  o 158.054 3.4586  13552.22   592.068  13741.09   839.193  13365.04   835.441  159.015 4.8725  156.819 4.9187  2.196091       6.923486  
1 1 1 -21 3   4  o 202.635 3.9815  22288.92   873.845  22797.53   1231.01  21772.32   1240.65  204.706 5.5522  200.021 5.7267  4.684891       7.976290  
1 1 1 -21 3   5  o 251.836 4.6129  34457.95   1258.24  34913.55   1780.35  34003.30   1778.48  253.091 6.4947  249.751 6.5747  3.340866       9.241589  
1 1 1 -21 3   6  o 138.764 3.2876  10445.90   494.109  11287.71   697.798  9599.36    699.756  144.141 4.4696  132.886 4.8618  11.25516       6.604128  
1 1 1 -21 3   7  o 48.491  4.1393  1286.32    215.313  1095.21    306.587  1472.31    302.452  44.336  6.5845  51.723  5.4824  -7.387218      8.568107  
1 1 1 -21 3   8  o 82.876  3.2179  3726.71    288.851  3985.37    396.459  3434.06    421.703  85.642  4.2741  79.303  4.9340  6.339020       6.527812  
1 1 1 -21 3   9  o 218.254 4.1977  25888.12   992.299  25240.37   1403.86  26534.88   1402.79  215.104 6.0257  220.591 5.8713  -5.487488      8.413125  
1 1 1 -21 3   10 o 60.569  3.9006  2001.76    254.529  1971.57    348.739  2036.17    372.335  59.896  5.4348  60.831  5.7183  -0.9344368     7.888998  
1 1 1 -21 3   11 o 213.924 4.1746  24893.47   967.266  24807.14   1361.49  24981.46   1374.44  213.083 5.8992  213.819 5.9349  -0.7359161     8.367990  
1 1 1 -21 3   12 o 60.390  3.5687  1989.19    232.389  1954.11    274.518  2077.91    436.548  59.762  4.2692  61.196  6.6955  -1.434513      7.940724  
1 1 1 -21 3   13 o 75.342  3.2859  3085.31    268.143  3118.82    316.319  2999.75    505.476  75.599  3.8761  73.652  6.4001  1.946953       7.482332  
1 1 1 -21 3   14 o 118.649 3.1058  7652.38    399.123  8089.65    563.932  7213.51    564.959  121.788 4.2752  114.952 4.5376  6.835403       6.234358  
1 1 1 -21 3   15 o 120.771 3.1715  7933.97    414.852  7932.03    592.110  7935.84    581.415  120.477 4.5376  120.526 4.4539  -0.4877472E-01 6.358206  
1 1 1 -21 3   16 o 110.841 3.1310  6685.87    375.884  7174.91    538.590  6221.48    524.838  114.567 4.3404  106.637 4.5441  7.930847       6.283928  
1 1 1 -21 3   17 o 42.993  4.3873  1021.90    201.436  1081.01    283.516  961.644    286.250  43.821  6.1421  41.152  6.6489  2.669518       9.051712  
1 1 1 -21 3   18 o 45.278  4.4970  1135.25    217.615  968.849    290.583  1347.76    328.379  41.210  6.7436  48.880  6.3528  -7.670357      9.264623  
1 1 1 -21 3   19 o 75.956  3.4239  3150.56    281.680  2824.63    386.951  3517.96    410.833  71.408  5.0353  79.814  4.7743  -8.406128      6.938929  
1 1 1 -21 3   20 o 23.970  8.7784  280.746    297.785  280.746    297.785  0.0000     0.0000   23.970  8.7784  ?       ?       0.000000       8.778427  
1 1 1 -21 3   21 o 42.130  7.1513  1031.31    314.650  1031.31    314.650  0.0000     0.0000   42.130  7.1513  ?       ?       0.000000       7.151274  
1 1 1 -21 3   22 o 31.255  8.7945  590.975    310.253  590.975    310.253  0.0000     0.0000   31.255  8.7945  ?       ?       0.000000       8.794456  
1 1 1 -21 3   23 o 48.403  6.6824  1359.25    340.988  1359.25    340.988  0.0000     0.0000   48.403  6.6824  ?       ?       0.000000       6.682404  
1 1 1 -21 3   24 o 54.515  6.7539  1733.79    390.253  1733.79    390.253  0.0000     0.0000   54.515  6.7539  ?       ?       0.000000       6.753949  
1 1 1 -21 3   25 o 17.509  7.3270  69.434     232.951  28.917     343.629  103.888    316.879  19.726  8.5886  20.220  8.5083  -0.4948387     12.08949  
1 1 1 -21 3   26 o 42.779  5.7551  1083.91    259.893  1176.90    379.484  1001.77    356.666  42.582  8.5255  39.100  8.6511  3.482121       12.14601  
1 1 1 -21 3   27 o 30.997  7.9376  632.386    267.649  930.688    416.706  422.900    349.203  35.740  10.239  25.481  9.4750  10.25879       13.95070  
1 1 1 -21 3   28 o 32.718  2.4527  593.830    86.283   583.384    87.475   969.059    524.279  32.409  2.5116  34.081  11.731  -1.672592      11.99662  
1 1 1 -21 3   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 3   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 4   1  o 204.904 3.9382  22789.27   874.009  22982.62   1238.13  22597.22   1233.95  205.539 5.5616  203.804 5.5901  1.735352       7.885451  
1 1 1 -21 4   2  o 120.225 3.1130  7838.62    405.357  7499.73    566.623  8193.88    580.137  117.510 4.4519  122.835 4.3605  -5.325073      6.231679  
1 1 1 -21 4   3  o 193.883 3.8724  20401.99   813.192  20409.44   1146.45  20394.45   1153.64  193.707 5.4643  193.630 5.5008  0.7679749E-01  7.753576  
1 1 1 -21 4   4  o 83.683  3.4114  3799.02    309.198  3297.14    423.299  4373.13    452.729  77.717  5.0563  89.594  4.6816  -11.87753      6.890856  
1 1 1 -21 4   5  o 111.757 3.1446  6774.09    380.637  6572.61    521.962  7002.94    556.278  110.004 4.3809  113.537 4.5236  -3.532951      6.297229  
1 1 1 -21 4   6  o 133.691 3.2197  9695.40    466.208  9406.74    650.230  10000.79   668.799  131.575 4.5627  135.667 4.5515  -4.092056      6.444705  
1 1 1 -21 4   7  o 75.262  3.3061  3073.31    269.501  3056.53    368.564  3092.59    395.082  74.855  4.5678  75.260  4.8729  -0.4051666     6.679037  
1 1 1 -21 4   8  o 216.128 4.0802  25374.17   955.118  25761.27   1352.55  24989.13   1348.94  217.444 5.7429  214.144 5.8159  3.300018       8.173507  
1 1 1 -21 4   9  o 159.404 3.5205  13795.14   607.817  14338.40   861.474  13256.63   857.705  162.322 4.9000  156.052 5.0746  6.270645       7.054152  
1 1 1 -21 4   10 o 87.944  3.3221  4198.92    316.441  4418.77    455.612  3994.02    439.834  89.984  4.6910  85.527  4.7670  4.457306       6.688041  
1 1 1 -21 4   11 o 89.799  3.2817  4379.02    319.181  4278.84    447.165  4483.08    455.737  88.518  4.6807  90.615  4.6592  -2.097130      6.604368  
1 1 1 -21 4   12 f 128.764 3.2212  9006.29    449.248  9175.54    522.618  8527.22    879.246  129.904 3.7144  124.542 6.5410  5.362106       7.522111  
1 1 1 -21 4   13 o 96.938  3.1455  5105.97    330.258  5227.65    386.694  4777.96    634.883  98.030  3.6420  93.092  6.3343  4.938156       7.306700  
1 1 1 -21 4   14 o 20.335  7.0452  206.866    189.250  340.479    229.841  -74.4408   333.498  24.827  7.7247  19.052  8.3735  5.774660       11.39235  
1 1 1 -21 4   15 o 20.783  7.1309  220.134    193.654  173.158    273.225  267.555    274.516  21.449  8.2863  23.573  8.4574  -2.124170      11.84022  
1 1 1 -21 4   16 o 55.622  3.7751  1694.99    226.086  1805.80    329.291  1596.18    310.964  57.090  5.3891  53.635  5.4276  3.454906       7.648604  
1 1 1 -21 4   17 o 69.003  3.3727  2594.96    252.067  2981.86    364.747  2241.28    348.743  73.631  4.5966  63.675  5.0994  9.955795       6.865354  
1 1 1 -21 4   18 o 61.183  4.3785  2062.32    288.231  2120.23    348.149  1936.17    513.887  61.813  5.2498  57.960  8.4332  3.852695       9.933730  
1 1 1 -21 4   19 o 61.886  5.1582  2127.32    342.595  2127.32    342.595  0.0000     0.0000   61.886  5.1582  ?       ?       0.000000       5.158167  
1 1 1 -21 4   20 f 62.095  5.4402  2153.93    362.194  2153.93    362.194  0.0000     0.0000   62.095  5.4402  ?       ?       0.000000       5.440199  
1 1 1 -21 4   21 f 57.961  5.6421  1890.26    349.712  1890.26    349.712  0.0000     0.0000   57.961  5.6421  ?       ?       0.000000       5.642106  
1 1 1 -21 4   22 o 66.227  5.6448  2472.86    401.039  2472.86    401.039  0.0000     0.0000   66.227  5.6448  ?       ?       0.000000       5.644786  
1 1 1 -21 4   23 o 14.261  6.6131  -181.3449  243.672  -277.6512  292.653  36.332     439.978  14.914  7.0225  22.489  9.7550  -7.575506      12.01985  
1 1 1 -21 4   24 f 57.775  4.2118  1862.29    261.740  1731.46    368.337  1995.73    372.004  54.704  6.3338  59.013  5.8991  -4.309479      8.655472  
1 1 1 -21 4   25 o 27.674  7.9826  476.299    252.485  410.738    393.387  522.224    329.248  26.719  10.033  28.723  9.2843  -2.003548      13.66939  
1 1 1 -21 4   26 o 19.483  7.8310  162.568    252.830  141.252    396.817  177.135    328.034  21.789  9.3566  21.145  8.7584  0.6437187      12.81624  
1 1 1 -21 4   27 o 15.399  7.0217  -86.3946   259.163  -472.4919  433.953  127.660    323.114  16.467  7.9651  19.981  8.5078  -3.514034      11.65439  
1 1 1 -21 4   28 o 28.571  1.8005  448.295    55.432   447.720    55.696   508.651    570.409  28.550  1.8105  27.085  11.407  1.464344       11.54991  
1 1 1 -21 4   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 4   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 5   1  o 145.611 3.3139  11501.02   522.648  11312.25   737.466  11691.50   740.818  144.291 4.7188  146.696 4.6625  -2.404556      6.633732  
1 1 1 -21 5   2  o 126.345 3.2009  8657.84    438.024  8344.83    612.494  8985.52    626.669  123.944 4.5625  128.620 4.4984  -4.675507      6.407228  
1 1 1 -21 5   3  f 127.052 3.2372  8755.43    445.478  9067.81    622.649  8427.84    637.620  129.210 4.4491  124.544 4.7268  4.666359       6.491349  
1 1 1 -21 5   4  o 80.851  3.2634  3545.75    285.778  3245.06    407.953  3835.49    400.452  77.115  4.9098  83.918  4.4214  -6.803360      6.607220  
1 1 1 -21 5   5  o 114.444 3.1198  7103.65    386.710  6538.92    536.521  7714.25    557.886  109.711 4.5151  119.179 4.3219  -9.468399      6.250215  
1 1 1 -21 5   6  o 123.259 3.1183  8240.66    416.297  8329.09    584.860  8149.85    592.683  123.826 4.3608  122.477 4.4678  1.348938       6.243288  
1 1 1 -21 5   7  o 105.232 3.2216  6007.75    367.188  6699.54    516.412  5300.36    522.201  111.049 4.2935  98.729  4.8834  12.32028       6.502454  
1 1 1 -21 5   8  o 117.957 3.1903  7549.35    407.587  7984.78    584.990  7138.55    568.208  121.203 4.4562  114.589 4.5782  6.614044       6.388879  
1 1 1 -21 5   9  o 181.379 3.6833  17865.48   723.598  17648.92   1017.82  18086.78   1028.91  180.026 5.2199  182.247 5.2125  -2.220901      7.376867  
1 1 1 -21 5   10 o 83.331  3.4120  3770.64    307.951  3742.97    430.315  3799.69    440.896  82.777  4.8205  83.392  4.9029  -0.6146927     6.875726  
1 1 1 -21 5   11 o 106.117 3.1865  6114.33    366.238  6032.10    430.705  6329.00    695.924  105.346 3.7748  107.443 6.0042  -2.097687      7.092178  
1 1 1 -21 5   12 o 28.940  6.2647  476.171    190.675  628.699    225.703  95.951     356.352  33.313  6.4888  22.303  9.1724  11.00976       11.23556  
1 1 1 -21 5   13 o 75.148  3.3870  3070.22    275.676  2844.63    326.431  3631.22    514.771  72.140  4.1959  81.200  5.8933  -9.060516      7.234366  
1 1 1 -21 5   14 o 115.975 3.2174  7313.67    404.145  7325.39    474.898  7282.90    769.594  115.978 3.7805  114.939 6.2049  1.039719       7.265918  
1 1 1 -21 5   15 o 78.096  3.1545  3317.56    266.825  2731.28    374.071  3924.84    380.712  70.469  4.9321  84.808  4.1447  -14.33844      6.442352  
1 1 1 -21 5   16 o 65.299  3.4764  2329.61    244.989  2507.55    335.767  2127.04    358.260  67.534  4.6180  61.998  5.3888  5.535728       7.096831  
1 1 1 -21 5   17 o 31.903  7.7456  591.581    264.959  591.581    264.959  0.0000     0.0000   31.903  7.7456  ?       ?       0.000000       7.745606  
1 1 1 -21 5   18 o 20.273  8.1559  120.186    274.514  120.186    274.514  0.0000     0.0000   20.273  8.1559  ?       ?       0.000000       8.155866  
1 1 1 -21 5   19 o 58.695  5.1919  1915.77    326.656  1915.77    326.656  0.0000     0.0000   58.695  5.1919  ?       ?       0.000000       5.191857  
1 1 1 -21 5   20 o 42.365  7.1300  1036.59    315.542  1036.59    315.542  0.0000     0.0000   42.365  7.1300  ?       ?       0.000000       7.129982  
1 1 1 -21 5   21 o 32.023  9.1035  616.967    330.684  616.967    330.684  0.0000     0.0000   32.023  9.1035  ?       ?       0.000000       9.103532  
1 1 1 -21 5   22 o 78.234  3.5301  3359.46    299.130  3118.49    413.881  3623.00    432.823  74.655  5.1500  80.572  4.9842  -5.916641      7.166920  
1 1 1 -21 5   23 o 57.266  4.3881  1828.19    270.104  1626.30    359.309  2090.53    409.576  53.160  6.3671  60.352  6.3616  -7.192009      9.000533  
1 1 1 -21 5   24 o 72.255  3.7904  2892.74    295.598  2904.62    418.118  2880.86    417.958  71.561  5.4351  71.253  5.4572  0.3077087      7.702068  
1 1 1 -21 5   25 o 53.577  4.7960  1630.45    275.365  1646.00    456.566  1621.56    345.221  51.448  8.4895  52.650  6.1709  -1.201611      10.49532  
1 1 1 -21 5   26 o 20.953  7.9437  235.358    247.993  870.544    445.717  -49.4448   298.456  34.698  10.751  17.144  7.7036  17.55395       13.22585  
1 1 1 -21 5   27 o 27.774  8.1958  513.060    263.466  555.019    477.758  494.723    315.830  28.124  10.932  26.996  9.1077  1.127804       14.22843  
1 1 1 -21 5   28 o 71.592  6.8480  3203.40    524.529  3203.40    524.529  0.0000     0.0000   71.592  6.8480  ?       ?       0.000000       6.848018  
1 1 1 -21 5   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 5   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 6   1  o 49.823  4.0674  1356.54    217.575  1120.91    295.882  1633.96    321.052  44.942  6.2475  54.531  5.5114  -9.589500      8.331068  
1 1 1 -21 6   2  o 134.475 3.2844  9808.83    478.369  9744.79    674.672  9873.58    678.374  133.928 4.6510  134.811 4.6459  -0.8825836     6.573959  
1 1 1 -21 6   3  o 192.533 3.8355  20118.74   799.834  19578.96   1119.91  20680.72   1142.71  189.722 5.4500  194.993 5.4106  -5.271240      7.679630  
1 1 1 -21 6   4  o 177.283 3.6597  17055.13   702.721  16518.64   987.134  17606.35   1000.60  174.289 5.2292  179.949 5.1338  -5.660187      7.328060  
1 1 1 -21 6   5  o 213.346 4.1016  24714.20   947.791  24660.46   1336.46  24768.57   1344.33  212.836 5.7975  213.298 5.8190  -0.4619141     8.214145  
1 1 1 -21 6   6  o 125.357 3.2233  8524.66    437.650  8256.92    616.146  8797.29    621.753  123.264 4.6151  127.243 4.5114  -3.979408      6.453827  
1 1 1 -21 6   7  o 96.076  3.1740  5007.55    330.282  4878.44    471.292  5132.17    462.997  94.739  4.5930  97.186  4.3985  -2.447182      6.359416  
1 1 1 -21 6   8  o 50.025  4.2164  1369.30    226.325  1434.93    314.051  1298.37    326.453  50.994  5.7887  48.370  6.3874  2.623264       8.620194  
1 1 1 -21 6   9  o 94.367  3.2691  4833.16    334.131  4621.57    483.670  5026.33    462.130  92.028  4.8698  96.145  4.4378  -4.117058      6.588521  
1 1 1 -21 6   10 o 152.099 3.4998  12563.82   576.550  12554.82   804.107  12573.34   827.110  151.841 4.8894  151.929 5.0263  -0.8822632E-01 7.012159  
1 1 1 -21 6   11 o 57.360  3.8901  1796.93    240.251  1685.55    286.000  2063.97    442.840  55.417  4.8126  61.002  6.8191  -5.584328      8.346376  
1 1 1 -21 6   12 o 101.575 3.1862  5604.29    350.531  5467.55    410.238  5974.18    674.716  100.267 3.7775  104.309 5.9974  -4.041939      7.087877  
1 1 1 -21 6   13 o 160.389 3.4998  13989.85   607.974  14279.66   708.740  13182.45   1182.96  161.930 4.0410  154.702 7.0600  7.227127       8.134666  
1 1 1 -21 6   14 o 77.663  3.2752  3280.30    275.504  3235.03    324.252  3397.82    522.449  76.960  3.9027  78.381  6.2048  -1.420532      7.330153  
1 1 1 -21 6   15 o 62.407  3.9952  2132.69    268.627  2273.14    325.395  1832.14    476.000  64.303  4.7048  56.865  7.9455  7.438015       9.233943  
1 1 1 -21 6   16 o 72.437  4.5805  2882.62    357.523  2882.62    357.523  0.0000     0.0000   72.437  4.5805  ?       ?       0.000000       4.580499  
1 1 1 -21 6   17 o 104.223 4.3622  5945.68    492.427  5945.68    492.427  0.0000     0.0000   104.223 4.3622  ?       ?       0.000000       4.362232  
1 1 1 -21 6   18 o 21.432  8.0449  200.915    252.911  200.915    252.911  0.0000     0.0000   21.432  8.0449  ?       ?       0.000000       8.044939  
1 1 1 -21 6   19 o 65.398  5.2158  2375.69    366.378  2375.69    366.378  0.0000     0.0000   65.398  5.2158  ?       ?       0.000000       5.215813  
1 1 1 -21 6   20 f 33.557  6.4873  650.451    227.257  850.097    321.265  450.494    321.515  37.970  8.0610  28.125  9.1805  9.845207       12.21722  
1 1 1 -21 6   21 o 95.605  3.3720  5003.88    349.168  4456.24    494.756  5547.31    492.847  89.457  5.1277  100.225 4.5401  -10.76844      6.848776  
1 1 1 -21 6   22 o 99.957  3.3255  5476.03    360.026  5722.26    502.446  5216.20    516.138  101.646 4.5638  96.747  4.9421  4.898895       6.727015  
1 1 1 -21 6   23 o 71.959  3.8055  2862.17    295.540  3106.32    422.680  2628.63    413.388  74.288  5.2877  68.123  5.6537  6.164688       7.741065  
1 1 1 -21 6   24 o 47.058  4.8636  1251.68    244.318  1011.35    369.863  1437.72    325.422  40.456  8.6994  49.873  6.1549  -9.417088      10.65657  
1 1 1 -21 6   25 o 62.371  4.2428  2185.03    284.915  2609.48    457.752  1916.61    364.025  66.713  6.4141  57.421  5.9390  9.292469       8.741433  
1 1 1 -21 6   26 o 46.415  5.4893  1265.69    270.619  1560.75    460.755  1110.31    334.370  48.606  9.0862  41.977  7.6356  6.628288       11.86853  
1 1 1 -21 6   27 o ?       ?       -212.7700  27.857   276.868    433.554  -214.7998  27.914   23.730  9.9669  ?       ?       0.000000       9.966865  
1 1 1 -21 6   28 o 18.084  8.4461  -158.6377  408.813  -158.6377  408.813  0.0000     0.0000   18.084  8.4461  ?       ?       0.000000       8.446063  
1 1 1 -21 6   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 6   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 7   1  o 106.869 3.0872  6193.87    357.338  6325.04    505.872  6063.22    504.832  107.920 4.3278  105.657 4.4114  2.263039       6.179860  
1 1 1 -21 7   2  o 104.528 3.1313  5925.70    354.508  5556.62    504.503  6285.71    498.255  101.134 4.6057  107.589 4.2758  -6.454010      6.284482  
1 1 1 -21 7   3  o 82.346  3.1244  3677.55    278.662  3778.83    383.981  3564.86    405.038  83.311  4.2697  80.871  4.6436  2.439926       6.308239  
1 1 1 -21 7   4  o 105.874 3.1662  6079.73    363.072  5881.72    504.545  6292.38    522.867  104.056 4.4767  107.627 4.4854  -3.570679      6.337174  
1 1 1 -21 7   5  o 161.105 3.5146  14083.28   613.274  13872.33   863.502  14297.99   871.151  159.737 4.9910  162.173 4.9596  -2.436111      7.036170  
1 1 1 -21 7   6  o 63.782  3.4832  2214.06    239.716  2110.04    339.558  2317.42    338.464  62.081  5.0948  65.113  4.8337  -3.031769      7.022984  
1 1 1 -21 7   7  f 125.687 3.2499  8570.78    442.408  9083.72    608.911  7997.25    643.870  129.298 4.3480  121.266 4.9022  8.032959       6.552606  
1 1 1 -21 7   8  o 130.709 3.2691  9271.07    462.812  9532.81    652.355  9005.83    656.697  132.417 4.5485  128.687 4.7115  3.730347       6.548856  
1 1 1 -21 7   9  o 59.547  3.8918  1934.45    249.626  1945.11    356.004  1924.15    350.118  59.480  5.5917  59.166  5.5275  0.3138809      7.862568  
1 1 1 -21 7   10 f 42.536  4.1631  993.110    189.339  1087.83    233.030  809.097    324.792  44.425  4.9259  37.650  8.1971  6.774746       9.563304  
1 1 1 -21 7   11 o 87.374  3.1884  4145.34    301.738  4245.31    353.252  3875.61    580.281  88.381  3.6902  83.903  6.4344  4.477905       7.417515  
1 1 1 -21 7   12 o 104.214 3.2864  5900.56    370.947  6062.03    438.472  5494.07    695.717  105.568 3.8348  99.898  6.4646  5.670494       7.516395  
1 1 1 -21 7   13 o 48.384  4.1298  1284.39    214.352  1423.95    253.952  938.597    399.734  50.879  4.6601  40.257  9.3472  10.62188       10.44446  
1 1 1 -21 7   14 f 78.336  4.4410  3359.91    375.252  3359.91    375.252  0.0000     0.0000   78.336  4.4410  ?       ?       0.000000       4.441010  
1 1 1 -21 7   15 f 133.206 4.5667  9699.66    658.867  9699.66    658.867  0.0000     0.0000   133.206 4.5667  ?       ?       0.000000       4.566701  
1 1 1 -21 7   16 f 221.331 6.0375  27016.61   1447.35  27016.61   1447.35  0.0000     0.0000   221.331 6.0375  ?       ?       0.000000       6.037536  
1 1 1 -21 7   17 o 144.689 4.7323  11481.28   741.610  11481.28   741.610  0.0000     0.0000   144.689 4.7323  ?       ?       0.000000       4.732272  
1 1 1 -21 7   18 o 86.370  4.6609  4108.46    434.404  4108.46    434.404  0.0000     0.0000   86.370  4.6609  ?       ?       0.000000       4.660928  
1 1 1 -21 7   19 o 23.542  7.3566  311.393    208.206  254.928    282.902  378.118    307.533  23.212  8.5478  26.402  8.9869  -3.190451      12.40280  
1 1 1 -21 7   20 o 60.435  4.1802  2015.78    271.940  2001.62    371.951  2032.04    398.592  59.699  5.8266  60.007  6.2233  -0.3075829     8.525187  
1 1 1 -21 7   21 o 25.825  7.3992  390.339    217.589  255.676    295.338  550.211    321.796  23.260  8.7009  30.371  9.0806  -7.110104      12.57634  
1 1 1 -21 7   22 o 77.276  3.4099  3275.12    285.400  3463.21    411.907  3101.45    395.806  78.822  4.8483  74.540  4.9304  4.282013       6.914833  
1 1 1 -21 7   23 o 17.953  7.2366  101.569    216.575  -73.0717   349.909  210.020    275.739  18.949  8.4397  21.692  8.3397  -2.743279      11.86508  
1 1 1 -21 7   24 o 16.024  7.2377  -101.5594  267.490  -167.3302  377.397  -35.1636   379.186  18.468  8.4415  20.023  8.8586  -1.554623      12.23660  
1 1 1 -21 7   25 o 43.765  5.6484  1112.91    261.500  1375.68    442.321  971.717    324.230  46.440  9.1193  39.666  7.8248  6.773819       12.01623  
1 1 1 -21 7   26 o 28.361  7.9081  520.122    252.059  873.941    436.752  343.422    308.647  34.811  10.618  23.956  8.9078  10.85481       13.85945  
1 1 1 -21 7   27 o 44.264  1.9363  1072.19    92.832   1098.91    96.823   767.924    326.718  44.798  1.9955  33.515  8.8642  11.28254       9.086052  
1 1 1 -21 7   28 o 50.307  8.8443  1728.02    464.315  1728.02    464.315  0.0000     0.0000   50.307  8.8443  ?       ?       0.000000       8.844293  
1 1 1 -21 7   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 7   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 8   1  o 168.894 3.5687  15477.69   652.814  15454.74   920.061  15500.96   926.408  168.607 5.0381  168.856 5.0654  -0.2483978     7.144323  
1 1 1 -21 8   2  o 81.402  3.6962  3595.86    325.878  3697.76    390.937  3363.81    589.938  82.396  4.3965  78.212  7.0395  4.184250       8.299615  
1 1 1 -21 8   3  o 178.913 3.6989  17371.00   716.776  17328.94   1008.27  17413.97   1019.17  178.515 5.2147  178.946 5.2584  -0.4312439     7.405694  
1 1 1 -21 8   4  o 69.566  3.3508  2625.31    252.474  2230.48    333.987  3151.77    385.666  63.877  4.8640  76.014  4.7075  -12.13666      6.768952  
1 1 1 -21 8   5  o 278.933 5.0017  42302.38   1511.08  41394.73   2131.51  43219.42   2142.52  275.356 7.1470  281.396 7.0297  -6.040344      10.02477  
1 1 1 -21 8   6  o 151.844 3.4075  12510.51   560.409  12696.62   785.677  12317.76   799.581  152.830 4.7464  150.514 4.9047  2.316528       6.825299  
1 1 1 -21 8   7  o 96.682  3.1188  5070.83    326.585  4646.91    447.674  5553.10    477.489  92.469  4.4699  101.092 4.3609  -8.623451      6.244794  
1 1 1 -21 8   8  o 51.129  4.3318  1430.87    237.632  1519.68    340.063  1346.13    332.200  52.441  6.1012  49.265  6.3752  3.175346       8.824271  
1 1 1 -21 8   9  o 96.193  3.2368  5022.06    337.232  4869.43    477.105  5174.45    476.730  94.608  4.6560  97.540  4.5125  -2.931572      6.483954  
1 1 1 -21 8   10 o 144.526 3.3498  11341.78   524.372  10833.17   607.304  12831.89   1039.50  141.172 3.9718  153.222 6.2637  -12.04941      7.416848  
1 1 1 -21 8   11 o 62.214  3.6206  2110.45    242.913  2059.39    285.068  2245.83    464.158  61.366  4.3164  63.652  6.8399  -2.285904      8.088044  
1 1 1 -21 8   12 o 85.259  3.2452  3949.14    299.674  4039.34    351.563  3709.43    573.120  86.179  3.7664  81.990  6.5073  4.189606       7.518707  
1 1 1 -21 8   13 o 43.182  6.4124  1045.55    290.801  1045.55    290.801  0.0000     0.0000   43.182  6.4124  ?       ?       0.000000       6.412372  
1 1 1 -21 8   14 o 56.643  5.0072  1768.36    304.032  1768.36    304.032  0.0000     0.0000   56.643  5.0072  ?       ?       0.000000       5.007214  
1 1 1 -21 8   15 o 26.531  8.0076  396.403    249.372  396.403    249.372  0.0000     0.0000   26.531  8.0076  ?       ?       0.000000       8.007614  
1 1 1 -21 8   16 o 102.985 4.3732  5799.25    487.798  5799.25    487.798  0.0000     0.0000   102.985 4.3732  ?       ?       0.000000       4.373156  
1 1 1 -21 8   17 o 53.627  4.5782  1587.11    263.371  1383.90    327.847  1956.88    442.247  49.641  6.2352  58.892  7.0748  -9.250957      9.430317  
1 1 1 -21 8   18 o 66.675  3.5458  2434.00    255.140  2244.72    343.350  2667.40    381.266  63.670  5.0196  69.412  5.1072  -5.742702      7.161023  
1 1 1 -21 8   19 o 55.974  3.8866  1723.37    234.164  1743.65    309.532  1696.22    358.059  55.977  5.1635  54.908  6.1251  1.069229       8.011161  
1 1 1 -21 8   20 f 85.900  3.3174  4032.79    308.652  4159.48    431.828  3900.47    441.325  86.755  4.6122  83.903  4.8774  2.851860       6.712764  
1 1 1 -21 8   21 o 48.497  4.3901  1307.42    228.100  1488.04    328.140  1138.54    317.296  51.210  6.0317  44.423  6.8119  6.787258       9.098543  
1 1 1 -21 8   22 o 42.678  4.9207  1024.90    223.292  1116.36    326.234  944.282    306.274  43.721  7.1354  40.060  7.3289  3.661186       10.22869  
1 1 1 -21 8   23 f 54.650  4.2423  1662.97    249.137  2108.83    378.867  1323.28    330.692  60.887  5.8157  47.792  6.5616  13.09502       8.768004  
1 1 1 -21 8   24 o 44.360  5.5377  1127.83    260.271  955.807    452.281  1213.00    318.247  38.298  10.562  45.500  6.6545  -7.202038      12.48314  
1 1 1 -21 8   25 o ?       ?       -157.2627  33.839   -97.9988   412.652  -157.6639  33.953   19.743  8.9472  ?       ?       0.000000       8.947176  
1 1 1 -21 8   26 o 40.130  6.2488  972.112    262.762  914.995    448.481  1001.97    324.242  35.474  10.746  39.651  7.8278  -4.177025      13.29463  
1 1 1 -21 8   27 o 31.464  7.5357  640.915    253.419  914.858    418.439  482.234    318.467  35.336  10.301  26.688  9.1449  8.648552       13.77437  
1 1 1 -21 8   28 f 21.381  9.4977  116.842    440.138  116.842    440.138  0.0000     0.0000   21.381  9.4977  ?       ?       0.000000       9.497674  
1 1 1 -21 8   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 8   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 9   1  o 132.840 3.2424  9571.89    466.521  9557.42    654.987  9586.80    664.641  132.635 4.5594  132.833 4.6197  -0.1980591     6.490684  
1 1 1 -21 9   2  o 232.717 4.3511  29413.58   1096.72  28807.44   1546.88  30026.21   1555.13  229.964 6.2105  234.799 6.1151  -4.835129      8.715753  
1 1 1 -21 9   3  o 55.471  3.7544  1677.60    224.240  1570.89    294.214  1825.51    346.379  53.507  5.1400  57.650  5.6187  -4.143894      7.615060  
1 1 1 -21 9   4  o 106.465 3.1586  6147.99    364.228  6238.34    502.412  6047.91    528.792  107.172 4.3282  105.501 4.6276  1.670448       6.336263  
1 1 1 -21 9   5  o 133.163 3.3024  9619.80    476.296  10220.50   661.682  8973.85    686.154  137.159 4.4541  128.476 4.9309  8.683060       6.644762  
1 1 1 -21 9   6  o 163.897 3.4671  14576.86   615.474  14376.22   859.472  14788.04   881.779  162.604 4.8801  164.909 4.9368  -2.304825      6.941722  
1 1 1 -21 9   7  o 18.344  6.9649  129.695    190.820  392.629    261.456  -169.9948  279.132  26.761  8.2244  16.103  7.3212  10.65800       11.01098  
1 1 1 -21 9   8  o 153.007 3.4118  12706.90   565.417  12774.99   805.817  12640.86   793.564  153.240 4.8551  152.440 4.8063  0.7997284      6.831708  
1 1 1 -21 9   9  o 162.405 3.1714  14314.41   557.858  14619.70   714.821  13838.79   892.203  164.020 4.0237  159.401 5.1678  4.619354       6.549514  
1 1 1 -21 9   10 o 72.720  3.4067  2871.76    268.325  3236.97    326.755  2115.52    470.195  77.071  3.9274  61.724  7.1666  15.34743       8.172212  
1 1 1 -21 9   11 o 121.290 3.1612  7988.22    415.285  8085.56    480.908  7702.78    823.529  121.974 3.6402  118.436 6.4441  3.537491       7.401179  
1 1 1 -21 9   12 o 82.755  4.3179  3740.00    385.684  3740.00    385.684  0.0000     0.0000   82.755  4.3179  ?       ?       0.000000       4.317922  
1 1 1 -21 9   13 o 150.247 4.7595  12322.79   774.538  12322.79   774.538  0.0000     0.0000   150.247 4.7595  ?       ?       0.000000       4.759546  
1 1 1 -21 9   14 o 37.504  7.1477  801.960    279.744  801.960    279.744  0.0000     0.0000   37.504  7.1477  ?       ?       0.000000       7.147681  
1 1 1 -21 9   15 o 102.122 4.2986  5695.64    475.464  5695.64    475.464  0.0000     0.0000   102.122 4.2986  ?       ?       0.000000       4.298612  
1 1 1 -21 9   16 o 226.313 4.2983  27997.64   1053.60  27088.82   1487.96  28911.52   1492.08  221.497 6.2023  228.957 6.0169  -7.459976      8.641248  
1 1 1 -21 9   17 o 87.850  3.2879  4205.40    312.848  4048.11    450.940  4351.37    434.393  85.742  4.8759  89.006  4.5208  -3.264862      6.649246  
1 1 1 -21 9   18 o 90.790  3.1917  4493.91    313.851  4393.17    427.936  4611.17    461.687  89.494  4.4148  91.503  4.6740  -2.009705      6.429416  
1 1 1 -21 9   19 o 44.575  4.3488  1100.83    207.282  1153.90    284.975  1041.21    302.053  45.215  5.9647  42.669  6.7613  2.546051       9.016258  
1 1 1 -21 9   20 o 89.418  3.2220  4367.77    312.042  4426.66    444.330  4310.46    438.320  89.506  4.5989  88.321  4.5979  1.185387       6.503125  
1 1 1 -21 9   21 o 13.246  6.0454  -113.7332  192.624  -65.9328   280.118  -156.6134  265.310  17.147  7.5987  15.436  7.0640  1.710226       10.37493  
1 1 1 -21 9   22 o 59.032  4.2298  1933.92    268.653  1980.64    397.415  1894.60    364.572  58.887  6.3304  57.772  5.9095  1.114365       8.660022  
1 1 1 -21 9   23 o 16.377  6.9913  18.841     219.208  -2.8223    371.115  30.449     271.662  20.392  8.9007  18.213  7.7791  2.178720       11.82108  
1 1 1 -21 9   24 o 32.652  7.0960  640.243    243.788  898.742    423.493  512.123    298.143  37.297  10.193  28.845  8.7668  8.452393       13.44438  
1 1 1 -21 9   25 o 20.265  7.8195  193.675    243.073  421.676    445.294  96.899     290.109  27.236  10.563  19.417  8.1541  7.818674       13.34389  
1 1 1 -21 9   26 o 25.829  1.4687  364.411    40.919   368.410    41.307   154.477    299.280  25.970  1.4746  20.173  8.3616  5.797426       8.490588  
1 1 1 -21 9   27 o 17.439  7.5359  52.166     260.603  -71.3082   430.556  123.555    327.382  19.605  8.9816  19.984  8.5377  -0.3781967     12.39200  
1 1 1 -21 9   28 o 36.835  10.577  1043.12    444.197  1043.12    444.197  0.0000     0.0000   36.835  10.577  ?       ?       0.000000       10.57723  
1 1 1 -21 9   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 9   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 10  1  o 26.771  7.3132  403.819    218.057  434.780    341.447  382.495    283.368  28.756  9.4644  26.769  8.6091  1.986767       12.79415  
1 1 1 -21 10  2  o 152.059 3.4119  12544.17   561.926  11917.22   786.742  13197.08   802.871  148.068 4.9057  155.834 4.7568  -7.765472      6.833212  
1 1 1 -21 10  3  o 184.728 3.7353  18520.23   747.357  18196.02   1048.41  18855.20   1065.65  182.905 5.2922  186.190 5.2843  -3.284744      7.478687  
1 1 1 -21 10  4  o 88.305  3.1647  4229.57    302.679  4187.57    407.034  4281.52    452.706  87.808  4.2798  88.634  4.7328  -0.8260727     6.380954  
1 1 1 -21 10  5  o 196.516 3.8603  20964.81   821.644  20614.74   1152.57  21326.54   1171.62  194.631 5.4675  197.963 5.4643  -3.332245      7.729920  
1 1 1 -21 10  6  o 67.253  3.5168  2461.25    255.281  2712.39    334.333  2110.10    395.328  70.519  4.3992  61.952  5.9654  8.567020       7.412066  
1 1 1 -21 10  7  f 213.896 4.3617  24862.71   1010.48  24702.25   1339.55  25074.58   1539.24  212.921 5.8086  214.321 6.6309  -1.400406      8.815212  
1 1 1 -21 10  8  o 91.330  3.2583  4526.63    322.308  4541.67    453.395  4511.27    458.269  91.273  4.6011  90.958  4.6674  0.3153534      6.554015  
1 1 1 -21 10  9  o 75.142  3.3406  3065.16    271.878  2887.51    323.987  3488.07    499.885  72.769  4.1276  79.753  5.8274  -6.983208      7.141111  
1 1 1 -21 10  10 o 89.765  3.1177  4373.97    303.112  4616.73    357.725  3755.94    570.766  92.187  3.5827  82.624  6.4286  9.563622       7.359504  
1 1 1 -21 10  11 o 117.335 4.3278  7493.73    550.002  7493.73    550.002  0.0000     0.0000   117.335 4.3278  ?       ?       0.000000       4.327782  
1 1 1 -21 10  12 o 56.709  5.2355  1770.98    317.939  1770.98    317.939  0.0000     0.0000   56.709  5.2355  ?       ?       0.000000       5.235485  
1 1 1 -21 10  13 o 62.507  4.6772  2144.07    314.355  2144.07    314.355  0.0000     0.0000   62.507  4.6772  ?       ?       0.000000       4.677164  
1 1 1 -21 10  14 o 69.868  4.7430  2679.97    356.795  2679.97    356.795  0.0000     0.0000   69.868  4.7430  ?       ?       0.000000       4.742953  
1 1 1 -21 10  15 o 89.746  3.2401  4383.00    314.947  4550.94    372.165  3959.28    591.143  91.372  3.7605  84.444  6.5136  6.928902       7.521257  
1 1 1 -21 10  16 o 150.187 3.4257  12288.67   557.259  12319.14   647.986  12202.14   1091.99  150.216 3.9827  148.364 6.7955  1.851730       7.876563  
1 1 1 -21 10  17 o 91.597  3.2640  4571.62    323.815  4741.58    448.308  4386.23    468.229  93.039  4.4488  89.260  4.8615  3.778893       6.589802  
1 1 1 -21 10  18 o 23.506  6.7964  315.468    182.830  302.054    248.933  331.177    269.399  23.823  8.0856  24.848  8.4115  -1.024969      11.66746  
1 1 1 -21 10  19 o 60.420  3.5634  2002.23    232.157  1746.45    320.500  2284.59    336.740  55.960  5.3532  64.214  4.8782  -8.253548      7.242454  
1 1 1 -21 10  20 f 39.704  4.9565  884.045    208.505  1094.15    292.176  666.005    297.642  43.803  6.3431  33.483  8.2588  10.32037       10.41357  
1 1 1 -21 10  21 f 55.898  3.9692  1726.52    238.746  1647.92    342.978  1800.41    332.538  53.933  5.9716  56.584  5.4953  -2.650867      8.115276  
1 1 1 -21 10  22 o 43.310  5.4209  1063.70    248.718  831.619    410.765  1198.03    312.520  36.526  10.062  45.572  6.5172  -9.045998      11.98820  
1 1 1 -21 10  23 o 30.441  7.3299  555.117    238.779  152.183    414.251  755.604    292.206  23.479  9.7934  35.416  7.8261  -11.93677      12.53625  
1 1 1 -21 10  24 o 13.146  6.1700  -203.0537  222.753  -219.1660  395.768  -195.5829  269.492  18.399  8.4951  14.915  6.9294  3.484292       10.96286  
1 1 1 -21 10  25 o 43.564  1.9052  1034.91    89.893   1067.35    93.827   672.312    313.708  44.232  1.9585  32.339  8.7458  11.89376       8.962417  
1 1 1 -21 10  26 o 18.928  7.6043  152.864    238.293  99.297     396.482  183.156    298.151  21.130  9.2121  20.644  8.4284  0.4859371      12.48607  
1 1 1 -21 10  27 o 41.287  6.0898  1033.98    264.147  1540.01    436.064  740.667    331.989  48.110  8.6881  32.723  9.0585  15.38702       12.55147  
1 1 1 -21 10  28 o 17.096  8.1118  -261.7312  404.720  -261.7312  404.720  0.0000     0.0000   17.096  8.1118  ?       ?       0.000000       8.111807  
1 1 1 -21 10  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 10  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 11  1  o 80.260  3.7043  3496.06    322.015  3632.28    529.933  3416.31    405.456  81.442  6.0509  79.143  4.7520  2.298241       7.693784  
1 1 1 -21 11  2  o 224.912 4.2226  27471.02   1028.63  25885.90   1447.60  29087.63   1461.91  217.990 6.1311  231.142 5.8395  -13.15109      8.467001  
1 1 1 -21 11  3  o 153.425 3.3999  12770.96   564.986  11757.54   790.740  13827.91   807.546  147.061 4.9644  159.519 4.6740  -12.45816      6.818436  
1 1 1 -21 11  4  o 89.550  3.1319  4349.60    303.764  4091.54    408.093  4670.23    454.880  86.680  4.3607  92.712  4.5299  -6.031883      6.287783  
1 1 1 -21 11  5  o 110.787 3.1749  6657.95    380.964  6653.75    523.528  6662.67    555.415  110.669 4.3676  110.722 4.6314  -0.5245209E-01 6.366001  
1 1 1 -21 11  6  o 66.544  3.5967  2410.44    258.264  2473.41    343.688  2328.75    391.433  67.284  4.7465  65.161  5.6006  2.122971       7.341426  
1 1 1 -21 11  7  o 156.138 3.3243  13229.45   562.183  12703.33   784.676  13784.33   805.842  152.840 4.7400  159.220 4.6729  -6.379578      6.656087  
1 1 1 -21 11  8  o 116.207 3.2243  7328.38    405.820  7288.56    571.634  7368.84    576.225  115.771 4.5588  116.406 4.5703  -0.6345673     6.455269  
1 1 1 -21 11  9  o 108.342 3.0818  6370.09    361.640  6378.69    420.245  6345.54    709.968  108.375 3.5802  107.632 6.1154  0.7432938      7.086293  
1 1 1 -21 11  10 o 120.113 4.3402  7849.29    564.636  7849.29    564.636  0.0000     0.0000   120.113 4.3402  ?       ?       0.000000       4.340206  
1 1 1 -21 11  11 o 109.016 4.2791  6468.59    505.263  6468.59    505.263  0.0000     0.0000   109.016 4.2791  ?       ?       0.000000       4.279145  
1 1 1 -21 11  12 o 55.703  4.9481  1706.40    295.422  1706.40    295.422  0.0000     0.0000   55.703  4.9481  ?       ?       0.000000       4.948136  
1 1 1 -21 11  13 o 25.403  6.7049  367.866    187.177  394.128    217.162  291.977    369.157  26.335  7.3393  25.967  9.7249  0.3671761      12.18359  
1 1 1 -21 11  14 o 94.313  3.2689  4838.43    333.916  4773.30    395.159  5001.07    624.446  93.589  3.8983  95.183  6.0890  -1.593719      7.230021  
1 1 1 -21 11  15 o 72.366  3.5307  2852.52    276.734  3050.00    331.493  2398.43    502.659  74.641  4.1163  65.392  7.2173  9.249100       8.308675  
1 1 1 -21 11  16 o 80.229  3.1040  3503.16    269.726  3779.95    323.044  2866.01    490.121  83.270  3.5818  71.735  6.3746  11.53548       7.311942  
1 1 1 -21 11  17 o 137.362 3.2223  10280.17   479.398  10747.09   687.433  9838.10    668.888  140.034 4.5324  133.954 4.6103  6.080368       6.465096  
1 1 1 -21 11  18 o 102.412 3.1331  5717.09    347.530  5594.61    491.722  5839.33    491.243  100.961 4.4967  103.176 4.3959  -2.214966      6.288419  
1 1 1 -21 11  19 o 88.561  3.1363  4278.49    300.835  4126.86    419.371  4439.24    431.792  86.537  4.4897  89.883  4.4353  -3.346008      6.311086  
1 1 1 -21 11  20 f 24.945  6.9189  361.596    193.479  330.590    270.170  394.237    277.206  24.683  8.4232  26.358  8.5189  -1.675196      11.98007  
1 1 1 -21 11  21 o 26.246  7.4276  404.663    220.648  467.174    354.593  365.165    281.866  28.578  9.6504  25.556  8.6041  3.021620       12.92909  
1 1 1 -21 11  22 o 49.716  4.7669  1384.33    253.540  1485.48    408.378  1320.88    323.421  50.233  7.7556  47.935  6.3884  2.297848       10.04794  
1 1 1 -21 11  23 f 30.560  7.7049  563.291    254.968  572.114    434.913  558.670    314.724  30.860  10.681  30.234  8.9669  0.6260395      13.94569  
1 1 1 -21 11  24 o 32.089  1.8532  562.355    64.137   562.795    65.719   553.547    294.123  32.095  1.8990  29.882  8.6146  2.212749       8.821393  
1 1 1 -21 11  25 o 37.631  6.6809  851.756    262.328  1101.84    419.886  691.650    335.965  40.920  9.6336  32.579  9.1462  8.340694       13.28378  
1 1 1 -21 11  26 o 14.009  6.4738  -130.7156  230.613  -218.7574  387.446  -82.4107   286.987  17.494  8.1873  16.358  7.4320  1.135807       11.05742  
1 1 1 -21 11  27 o 65.489  5.1791  2511.01    364.368  2625.79    480.678  2355.96    558.659  65.131  6.9199  59.297  8.9796  5.834564       11.33658  
1 1 1 -21 11  28 o 19.757  8.9581  8.2909     414.255  8.2909     414.255  0.0000     0.0000   19.757  8.9581  ?       ?       0.000000       8.958058  
1 1 1 -21 11  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 11  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 12  1  o 126.824 3.7407  8730.06    513.843  9923.61    890.862  8135.00    629.024  134.967 6.0942  122.342 4.7470  12.62445       7.724826  
1 1 1 -21 12  2  o 151.639 3.9080  12482.95   641.862  11245.99   1092.55  13134.88   793.172  143.542 7.0274  155.463 4.7105  -11.92107      8.460082  
1 1 1 -21 12  3  o 117.380 3.1531  7473.43    400.870  7050.11    545.169  7971.74    591.490  113.920 4.4184  121.130 4.5084  -7.209755      6.312508  
1 1 1 -21 12  4  o 44.148  4.6078  1070.55    217.082  1029.13    286.077  1126.78    333.307  43.002  6.3318  44.897  7.0896  -1.895012      9.505467  
1 1 1 -21 12  5  o 84.661  3.1310  3888.00    287.105  3526.24    379.293  4373.39    439.352  80.446  4.3695  89.595  4.5424  -9.148972      6.302834  
1 1 1 -21 12  6  o 48.653  4.1052  1294.82    214.310  1222.50    271.175  1415.15    349.770  47.084  5.4161  50.516  6.5467  -3.431335      8.496673  
1 1 1 -21 12  7  o 162.398 3.5369  14316.04   622.120  14518.61   873.275  14107.28   886.495  163.362 4.9355  161.009 5.0834  2.353088       7.085221  
1 1 1 -21 12  8  o 175.373 4.2532  16717.25   807.880  16717.25   807.880  0.0000     0.0000   175.373 4.2532  ?       ?       0.000000       4.253189  
1 1 1 -21 12  9  o 159.367 4.8347  13826.94   834.517  13826.94   834.517  0.0000     0.0000   159.367 4.8347  ?       ?       0.000000       4.834654  
1 1 1 -21 12  10 o 106.296 4.2389  6146.47    488.026  6146.47    488.026  0.0000     0.0000   106.296 4.2389  ?       ?       0.000000       4.238943  
1 1 1 -21 12  11 o 54.407  5.2793  1630.44    307.184  1630.44    307.184  0.0000     0.0000   54.407  5.2793  ?       ?       0.000000       5.279273  
1 1 1 -21 12  12 o 96.900  2.9587  5099.38    310.530  4947.41    383.902  5387.01    528.134  95.368  3.7166  99.351  4.9080  -3.982864      6.156415  
1 1 1 -21 12  13 o 100.867 3.1664  5530.25    345.925  5198.92    401.444  6485.79    681.738  97.720  3.7929  108.610 5.8165  -10.88935      6.943855  
1 1 1 -21 12  14 o 53.414  4.0933  1564.85    235.008  1422.18    281.963  1889.46    425.304  50.700  5.2087  58.109  6.8918  -7.409206      8.638694  
1 1 1 -21 12  15 o 67.565  3.2082  2484.22    234.780  2686.83    282.341  2030.15    422.679  70.110  3.7316  60.279  6.5809  9.830208       7.565257  
1 1 1 -21 12  16 o 108.420 3.0953  6397.55    363.475  6314.88    427.153  6614.47    691.956  107.610 3.6649  109.395 5.8613  -1.785675      6.912737  
1 1 1 -21 12  17 o 55.233  3.6564  1672.28    217.501  1700.18    302.034  1642.22    313.470  55.385  5.0919  54.348  5.3966  1.036716       7.419629  
1 1 1 -21 12  18 f 101.985 3.1404  5669.88    346.883  5223.38    490.241  6117.56    490.893  97.508  4.6420  105.634 4.2905  -8.126259      6.321118  
1 1 1 -21 12  19 o 14.271  6.1876  -18.4000   176.862  -103.4058  241.001  80.810     260.360  15.364  6.9114  19.060  7.8398  -3.696254      10.45128  
1 1 1 -21 12  20 o 17.528  7.0096  94.976     201.454  216.674    304.767  0.5387     268.471  22.725  8.7593  17.841  7.6794  4.883677       11.64898  
1 1 1 -21 12  21 o 40.223  5.6976  920.331    241.277  1103.48    400.000  815.579    302.505  42.818  8.9149  37.101  7.7766  5.716877       11.83007  
1 1 1 -21 12  22 o 43.316  5.4141  1064.40    248.461  1413.29    413.354  867.039    310.892  48.788  8.1070  38.131  7.7910  10.65708       11.24376  
1 1 1 -21 12  23 o 38.270  6.2795  850.781    251.253  1325.32    446.190  630.443    304.040  46.442  9.1956  32.082  8.5822  14.36041       12.57825  
1 1 1 -21 12  24 o 63.498  4.1892  2250.41    286.489  2314.09    472.162  2213.30    360.415  62.731  7.0727  62.372  5.3880  0.3595581      8.891195  
1 1 1 -21 12  25 o 20.600  7.7270  217.973    233.234  271.868    393.155  188.706    289.720  24.118  9.7401  20.998  8.4029  3.120035       12.86380  
1 1 1 -21 12  26 o 44.330  2.1563  1076.88    103.534  1759.20    427.282  1034.31    106.714  52.840  7.6916  43.358  2.2804  9.482254       8.022530  
1 1 1 -21 12  27 o 39.284  7.9227  1005.50    325.465  899.146    438.107  1136.48    486.194  34.598  10.648  38.603  11.060  -4.004150      15.35328  
1 1 1 -21 12  28 o 20.774  9.3187  74.242     434.782  74.242     434.782  0.0000     0.0000   20.774  9.3187  ?       ?       0.000000       9.318730  
1 1 1 -21 12  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 12  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 13  1  o 131.181 3.7114  9340.16    527.328  9343.64    638.366  9332.66    935.669  131.137 4.4944  130.642 6.6343  0.4943695      8.013379  
1 1 1 -21 13  2  o 165.130 4.0465  14806.20   723.726  12727.00   1235.31  15892.84   893.041  152.612 7.4734  170.988 4.8221  -18.37576      8.894031  
1 1 1 -21 13  3  o 85.062  3.7030  3927.19    341.161  3645.55    554.826  4098.42    432.611  81.540  6.3319  86.721  4.6225  -5.181007      7.839678  
1 1 1 -21 13  4  o 232.626 4.3367  29397.57   1092.66  28044.50   1537.56  30778.07   1553.07  226.827 6.2585  237.679 6.0330  -10.85210      8.692801  
1 1 1 -21 13  5  o 278.979 5.0051  42330.09   1512.36  43411.80   2135.32  41241.30   2142.30  281.947 6.9924  274.739 7.1993  7.207489       10.03609  
1 1 1 -21 13  6  o 72.006  3.4324  2813.81    267.690  3160.51    351.801  2337.02    412.559  76.148  4.2829  65.225  5.9038  10.92326       7.293689  
1 1 1 -21 13  7  o 142.117 4.6346  10982.80   713.385  10039.14   958.425  12155.11   1068.24  135.601 6.5257  149.193 6.6108  -13.59181      9.289063  
1 1 1 -21 13  8  o 85.465  4.1512  3969.84    384.267  3969.84    384.267  0.0000     0.0000   85.465  4.1512  ?       ?       0.000000       4.151219  
1 1 1 -21 13  9  o 170.885 5.0154  15905.95   928.288  15905.95   928.288  0.0000     0.0000   170.885 5.0154  ?       ?       0.000000       5.015430  
1 1 1 -21 13  10 o 124.373 4.3584  8417.72    587.120  8417.72    587.120  0.0000     0.0000   124.373 4.3584  ?       ?       0.000000       4.358446  
1 1 1 -21 13  11 o 49.596  4.4128  1349.96    234.568  1535.12    286.578  974.082    408.310  52.809  5.0727  41.109  9.3778  11.70039       10.66189  
1 1 1 -21 13  12 o 127.266 3.2763  8802.26    451.606  8855.32    525.490  8652.33    883.249  127.571 3.8031  125.361 6.5276  2.210045       7.554729  
1 1 1 -21 13  13 o 167.199 3.5332  15210.58   639.851  14364.71   737.605  17782.44   1286.16  162.328 4.1953  179.736 6.6068  -17.40802      7.826225  
1 1 1 -21 13  14 o 24.080  5.7156  330.948    146.836  185.790    204.388  485.778    211.088  20.069  7.2844  29.097  6.8173  -9.027725      9.976870  
1 1 1 -21 13  15 o 20.846  6.5690  237.716    165.626  138.034    208.127  409.860    273.506  18.919  7.2522  27.072  8.4271  -8.152258      11.11800  
1 1 1 -21 13  16 o 135.569 3.2285  10007.59   474.053  10511.64   555.981  8665.31    907.290  138.823 3.6977  124.847 6.7345  13.97561       7.682862  
1 1 1 -21 13  17 f 114.627 2.8262  7149.57    350.882  7151.79    469.864  7146.78    527.579  114.427 3.7912  114.259 4.2631  0.1687393      5.705011  
1 1 1 -21 13  18 o 17.331  6.8160  101.756    187.512  376.848    265.302  -172.8357  265.061  25.959  8.3282  15.348  7.0371  10.61140       10.90313  
1 1 1 -21 13  19 o 21.892  7.0980  263.366    192.330  229.317    273.387  296.730    270.626  22.434  8.3754  23.943  8.4174  -1.508478      11.87434  
1 1 1 -21 13  20 o 50.943  4.3897  1438.96    239.845  2051.20    363.576  967.240    319.138  60.482  5.6141  40.713  7.5141  19.76928       9.379735  
1 1 1 -21 13  21 o 43.146  5.2724  1050.07    241.262  1275.64    387.651  907.455    308.235  46.541  7.9772  39.277  7.5195  7.264339       10.96262  
1 1 1 -21 13  22 o 20.471  7.6556  195.799    228.607  246.296    394.644  170.296    280.454  24.689  9.8313  21.054  8.3181  3.634529       12.87811  
1 1 1 -21 13  23 o 59.625  4.3362  1980.79    278.116  2373.31    459.111  1753.25    349.551  64.106  6.7118  55.411  5.9158  8.694885       8.946761  
1 1 1 -21 13  24 o 24.738  7.9471  363.171    241.517  412.121    431.389  340.824    291.480  27.485  10.463  24.591  8.7262  2.894381       13.62454  
1 1 1 -21 13  25 o 32.522  7.2284  652.504    248.016  910.283    427.152  521.401    304.624  36.535  10.333  28.502  8.8970  8.032303       13.63538  
1 1 1 -21 13  26 o 34.397  7.1089  742.461    256.089  814.461    440.294  705.651    314.817  33.344  10.732  32.416  8.7590  0.9286690      13.85270  
1 1 1 -21 13  27 o 22.381  8.8024  280.961    312.738  252.510    435.924  311.134    448.919  23.337  9.9080  24.262  10.164  -0.9246826     14.19395  
1 1 1 -21 13  28 o 17.285  8.1850  -241.8601  407.985  -241.8601  407.985  0.0000     0.0000   17.285  8.1850  ?       ?       0.000000       8.185024  
1 1 1 -21 13  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 13  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 14  1  o 145.238 3.8438  11451.68   604.662  11355.20   733.394  11656.48   1068.49  144.539 4.6847  146.158 6.7496  -1.619141      8.216026  
1 1 1 -21 14  2  o 241.277 5.1771  31665.74   1352.92  30055.10   2334.22  32480.54   1660.23  233.946 9.2120  244.108 6.2794  -10.16154      11.14864  
1 1 1 -21 14  3  o 164.480 4.0485  14690.88   721.234  13306.20   1230.24  15416.02   890.274  156.064 7.2780  168.387 4.8814  -12.32240      8.763455  
1 1 1 -21 14  4  o 201.060 3.9261  21949.39   854.987  20856.93   1197.33  23086.02   1221.30  195.720 5.6482  205.947 5.4751  -10.22679      7.866326  
1 1 1 -21 14  5  o 47.960  4.0152  1257.89    206.657  1247.31    257.771  1276.93    345.745  47.618  5.0762  47.887  6.8622  -0.2687531     8.535715  
1 1 1 -21 14  6  o 59.995  4.8160  1970.02    310.311  2373.84    390.334  1276.47    511.538  65.794  5.5287  47.209  10.294  18.58475       11.68499  
1 1 1 -21 14  7  o 128.669 4.4613  9000.69    621.733  9000.69    621.733  0.0000     0.0000   128.669 4.4613  ?       ?       0.000000       4.461298  
1 1 1 -21 14  8  o 123.355 4.4158  8274.85    589.973  8274.85    589.973  0.0000     0.0000   123.355 4.4158  ?       ?       0.000000       4.415751  
1 1 1 -21 14  9  o 270.872 6.9192  40182.46   2029.97  40182.46   2029.97  0.0000     0.0000   270.872 6.9192  ?       ?       0.000000       6.919197  
1 1 1 -21 14  10 o 249.983 4.6238  34030.73   1251.92  34509.48   1447.56  32609.98   2493.71  251.513 5.3138  242.563 9.4919  8.949692       10.87805  
1 1 1 -21 14  11 o 117.886 3.2292  7549.03    412.314  8071.38    487.712  6240.45    771.941  121.839 3.6958  106.437 6.7308  15.40176       7.678676  
1 1 1 -21 14  12 f 193.391 3.8834  20356.34   813.415  20433.07   938.963  20125.59   1628.33  193.594 4.4780  190.802 7.8793  2.792130       9.062905  
1 1 1 -21 14  13 o 42.740  4.3317  1006.37    197.755  1197.28    237.804  578.354    356.062  46.578  4.7816  31.902  9.5549  14.67597       10.68458  
1 1 1 -21 14  14 o 58.951  3.3919  1897.52    215.658  2100.89    257.366  1418.09    395.154  61.970  3.8535  50.053  7.5215  11.91642       8.451185  
1 1 1 -21 14  15 o 28.935  5.4533  474.402    164.633  529.873    201.205  362.029    286.376  30.450  6.3081  25.992  8.6730  4.458479       10.72444  
1 1 1 -21 14  16 o 34.363  5.2283  662.822    188.450  805.727    241.316  439.447    301.703  37.747  6.1114  28.014  8.8700  9.732641       10.77149  
1 1 1 -21 14  17 o 56.693  3.8001  1763.46    231.988  1795.95    280.813  1693.62    411.704  57.049  4.5834  54.673  7.1215  2.375141       8.468948  
1 1 1 -21 14  18 o 97.012  3.0838  5129.62    324.028  4401.74    450.488  5909.88    466.416  89.379  4.6697  103.860 4.1463  -14.48077      6.244788  
1 1 1 -21 14  19 o 83.243  3.2376  3782.58    291.905  3608.52    413.794  3955.00    411.844  80.806  4.7488  84.692  4.5059  -3.885788      6.546319  
1 1 1 -21 14  20 o 105.638 3.2079  6097.90    367.033  5864.33    524.555  6321.93    513.739  103.068 4.6989  107.128 4.4276  -4.059921      6.456282  
1 1 1 -21 14  21 o 60.270  4.1590  2010.41    269.833  2323.27    432.237  1810.62    345.406  63.951  6.3232  56.643  5.7079  7.307793       8.518330  
1 1 1 -21 14  22 o 37.361  6.4036  810.641    249.803  1274.13    439.037  588.765    303.766  45.690  9.1903  31.128  8.6821  14.56163       12.64276  
1 1 1 -21 14  23 o 80.300  3.6724  3552.14    319.398  3869.46    506.039  3342.02    411.785  82.667  5.6863  77.214  4.9499  5.453201       7.538938  
1 1 1 -21 14  24 o 47.457  5.0782  1280.80    256.971  1767.57    420.189  989.979    324.788  54.571  7.2915  40.424  7.6992  14.14639       10.60390  
1 1 1 -21 14  25 o 35.918  6.6940  780.656    250.833  728.903    427.069  807.911    309.922  32.640  10.576  35.684  8.1919  -3.044651      13.37790  
1 1 1 -21 14  26 o 19.686  7.7067  189.821    238.767  226.233    404.044  170.283    295.974  22.891  9.6185  20.326  8.3594  2.564735       12.74343  
1 1 1 -21 14  27 o 25.597  9.2831  436.113    331.838  404.002    418.177  490.716    545.313  25.375  10.115  27.262  11.292  -1.886799      15.16038  
1 1 1 -21 14  28 o 23.532  9.8718  313.410    424.478  313.410    424.478  0.0000     0.0000   23.532  9.8718  ?       ?       0.000000       9.871751  
1 1 1 -21 14  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 14  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 15  1  o 158.174 3.8473  13583.24   659.115  12960.66   796.657  14934.04   1173.46  154.404 4.7637  165.460 6.5479  -11.05615      8.097427  
1 1 1 -21 15  2  o 289.810 5.9989  45760.85   1883.01  45980.65   2302.77  45317.28   3271.28  290.075 7.3294  286.605 10.538  3.469482       12.83639  
1 1 1 -21 15  3  o 249.083 5.3048  33759.68   1431.16  33995.92   2465.95  33639.70   1757.42  248.788 9.1513  248.336 6.5338  0.4527435      11.24442  
1 1 1 -21 15  4  o 158.385 3.4640  13613.61   594.245  13632.87   826.815  13593.02   854.656  158.344 4.8210  158.089 4.9914  0.2544250      6.939430  
1 1 1 -21 15  5  o 136.327 3.7719  10090.48   556.941  9824.18    667.656  10699.71   1009.86  134.435 4.5853  140.006 6.6595  -5.571213      8.085475  
1 1 1 -21 15  6  o 287.012 7.1469  45038.91   2221.72  42506.04   3124.58  47629.02   3159.68  277.356 10.401  293.855 9.9275  -16.49918      14.37849  
1 1 1 -21 15  7  o 194.354 5.4537  20578.64   1148.03  20578.64   1148.03  0.0000     0.0000   194.354 5.4537  ?       ?       0.000000       5.453666  
1 1 1 -21 15  8  o 297.785 7.5381  48620.32   2431.29  48620.32   2431.29  0.0000     0.0000   297.785 7.5381  ?       ?       0.000000       7.538133  
1 1 1 -21 15  9  o 108.976 3.1464  6446.64    371.375  6746.23    434.308  5631.71    716.292  111.438 3.5983  101.246 6.5674  10.19223       7.488508  
1 1 1 -21 15  10 o 59.188  3.6968  1911.39    235.802  1928.59    281.126  1870.56    433.082  59.363  4.4038  57.983  7.0405  1.379677       8.304287  
1 1 1 -21 15  11 o 146.989 3.3239  11739.55   529.186  11934.27   613.068  11170.42   1048.09  148.125 3.8213  142.637 6.7842  5.487350       7.786360  
1 1 1 -21 15  12 o 76.872  3.0978  3210.68    257.926  3344.62    300.890  2839.56    500.862  78.420  3.5425  71.608  6.5296  6.811333       7.428648  
1 1 1 -21 15  13 o 73.804  2.6501  2957.88    211.842  3237.43    294.072  2656.31    305.431  77.132  3.5200  69.696  4.0637  7.436554       5.376306  
1 1 1 -21 15  14 o 50.961  3.7625  1422.69    206.208  1524.50    244.153  1169.37    385.129  52.671  4.3177  45.175  8.1719  7.495640       9.242427  
1 1 1 -21 15  15 o 20.102  6.6118  214.743    166.652  326.171    212.793  37.984     268.010  24.174  7.4181  18.668  7.8384  5.505928       10.79202  
1 1 1 -21 15  16 o 52.680  3.6713  1521.00    208.168  1718.11    255.955  1135.89    357.771  55.895  4.2599  44.515  7.6991  11.38048       8.799029  
1 1 1 -21 15  17 o 15.004  6.4215  -1.5007    185.797  21.459     235.993  -38.9361   301.340  17.267  7.3081  18.407  8.0279  -1.140253      10.85617  
1 1 1 -21 15  18 o 44.251  4.2384  1082.90    200.652  958.898    278.359  1217.03    289.498  41.038  6.4774  46.517  5.8771  -5.479336      8.746251  
1 1 1 -21 15  19 o 53.456  3.8493  1572.95    221.378  1363.51    303.396  1811.43    323.747  49.231  5.8012  56.991  5.3058  -7.759411      7.861630  
1 1 1 -21 15  20 o 83.138  3.3355  3779.98    300.347  3854.26    432.406  3710.74    417.496  83.384  4.8082  81.842  4.7300  1.541534       6.744772  
1 1 1 -21 15  21 o 40.364  1.8445  885.383    80.640   884.740    398.252  885.411    82.346   37.959  9.6620  40.362  1.8837  -2.403080      9.843891  
1 1 1 -21 15  22 o 49.150  5.0461  1359.79    264.812  1337.88    452.956  1371.16    326.405  46.787  9.2661  48.847  6.3174  -2.059902      11.21475  
1 1 1 -21 15  23 o 17.195  2.2570  163.881    41.020   409.437    395.090  161.205    41.243   27.393  10.099  17.046  2.2920  10.34766       10.35625  
1 1 1 -21 15  24 o 18.671  7.4582  128.333    227.786  373.963    378.439  -11.2160   285.245  26.181  9.8383  17.776  7.7801  8.404768       12.54281  
1 1 1 -21 15  25 o 30.225  1.3944  496.724    45.648   503.650    46.211   217.460    293.428  30.434  1.4019  21.540  8.5089  8.893793       8.623593  
1 1 1 -21 15  26 o 14.109  6.5625  -154.1078  242.826  -365.7708  389.182  -19.1791   310.729  16.269  7.7850  17.751  7.9262  -1.481270      11.10996  
1 1 1 -21 15  27 o 17.599  8.2558  -208.4337  397.992  -208.4337  397.992  0.0000     0.0000   17.599  8.2558  ?       ?       0.000000       8.255798  
1 1 1 -21 15  28 o 34.100  10.805  927.154    447.618  927.154    447.618  0.0000     0.0000   34.100  10.805  ?       ?       0.000000       10.80478  
1 1 1 -21 15  29 o 20.117  9.8033  -441.0956  690.574  -441.0956  690.574  0.0000     0.0000   20.117  9.8033  ?       ?       0.000000       9.803255  
1 1 1 -21 15  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 16  1  o 85.404  2.9662  3956.00    274.377  3633.30    365.947  4370.31    414.658  81.682  4.1500  89.691  4.2685  -8.008972      5.953353  
1 1 1 -21 16  2  o 133.664 3.7585  9698.95    544.118  9975.38    657.016  9095.43    970.799  135.486 4.4773  128.870 6.9812  6.615479       8.293528  
1 1 1 -21 16  3  o 219.215 4.8650  26131.51   1155.12  26574.33   1999.17  25909.59   1415.27  220.178 8.3831  218.051 5.9925  2.126862       10.30471  
1 1 1 -21 16  4  o 104.742 4.6399  5964.02    526.385  5861.01    739.456  6069.84    749.487  103.421 6.6364  105.259 6.6076  -1.838783      9.364925  
1 1 1 -21 16  5  o 39.367  6.1392  864.815    253.230  803.590    293.036  1045.37    503.220  37.688  7.4428  42.667  10.861  -4.979023      13.16665  
1 1 1 -21 16  6  o 180.357 5.2057  17707.80   1016.91  17707.80   1016.91  0.0000     0.0000   180.357 5.2057  ?       ?       0.000000       5.205736  
1 1 1 -21 16  7  o 115.661 4.2314  7271.44    530.082  7271.44    530.082  0.0000     0.0000   115.661 4.2314  ?       ?       0.000000       4.231402  
1 1 1 -21 16  8  o 93.979  3.1653  4793.77    322.189  4712.67    377.189  5012.63    619.629  93.139  3.7390  95.636  6.0125  -2.497093      7.080284  
1 1 1 -21 16  9  o 245.535 4.7625  32831.19   1266.53  33291.54   1371.78  30171.74   3297.14  247.142 5.1247  230.772 13.247  16.37019       14.20340  
1 1 1 -21 16  10 o 132.153 3.2101  9484.41    459.474  9382.12    531.045  9789.03    916.411  131.374 3.7321  133.722 6.3273  -2.347275      7.345961  
1 1 1 -21 16  11 o 156.598 3.5528  13332.10   602.603  13426.60   671.681  12942.28   1364.24  157.081 3.9479  152.780 8.2751  4.301132       9.168646  
1 1 1 -21 16  12 o 113.505 3.0945  7000.23    380.427  6821.40    442.127  7510.20    746.611  111.974 3.6455  116.909 5.9155  -4.935081      6.948619  
1 1 1 -21 16  13 o 144.135 3.3367  11300.37   520.899  10760.59   604.084  12865.46   1028.62  140.523 3.9690  152.967 6.2085  -12.44492      7.368761  
1 1 1 -21 16  14 o 208.824 4.0953  23791.28   926.262  23074.53   1070.27  25930.16   1848.84  205.367 4.8116  215.848 7.9083  -10.48105      9.257028  
1 1 1 -21 16  15 o 154.381 3.4411  12982.20   575.388  12704.16   667.651  13784.82   1134.37  152.552 4.0407  157.847 6.6351  -5.294464      7.768682  
1 1 1 -21 16  16 o 46.100  4.1528  1170.90    205.127  975.458    244.600  1634.13    376.575  41.744  5.5473  53.925  6.5842  -12.18114      8.609595  
1 1 1 -21 16  17 o 34.254  5.7422  664.982    205.501  586.790    256.145  806.218    344.253  31.746  7.5583  37.014  8.7288  -5.268637      11.54641  
1 1 1 -21 16  18 o 59.387  3.4629  1932.17    221.778  1747.14    314.095  2116.14    313.191  56.041  5.2353  61.867  4.7093  -5.826160      7.041712  
1 1 1 -21 16  19 o 57.077  3.6933  1790.28    227.099  1407.38    311.022  2227.56    332.373  50.000  5.8539  63.370  4.8801  -13.37002      7.621267  
1 1 1 -21 16  20 f 102.140 3.2231  5702.35    356.561  5504.33    511.031  5890.21    497.737  99.823  4.7266  103.380 4.4452  -3.556953      6.488517  
1 1 1 -21 16  21 o 50.396  4.7512  1418.70    256.279  1374.87    419.807  1444.74    323.569  48.143  8.3539  50.396  6.0487  -2.253265      10.31377  
1 1 1 -21 16  22 o 50.589  4.7674  1434.51    258.141  1607.41    416.759  1326.89    328.810  52.315  7.5756  47.953  6.4981  4.361530       9.980756  
1 1 1 -21 16  23 o 57.512  4.4665  1847.93    276.040  1967.22    452.987  1777.46    348.149  57.877  7.3952  55.796  5.8478  2.080891       9.427925  
1 1 1 -21 16  24 o 46.442  2.4046  1181.92    120.540  1674.83    419.647  1137.59    125.843  52.875  7.5413  45.524  2.5626  7.351246       7.964812  
1 1 1 -21 16  25 o 16.687  7.1470  36.704     230.463  -446.3583  388.255  299.504    286.371  15.900  7.6516  23.097  8.5819  -7.196862      11.49764  
1 1 1 -21 16  26 o 18.515  7.5321  136.695    237.033  -32.0195   400.899  227.375    293.909  19.585  8.8522  21.320  8.4860  -1.734577      12.26266  
1 1 1 -21 16  27 o 27.311  1.5870  408.268    46.744   408.268    46.744   0.0000     0.0000   27.311  1.5870  ?       ?       0.000000       1.587031  
1 1 1 -21 16  28 o 27.956  10.236  590.420    404.835  590.420    404.835  0.0000     0.0000   27.956  10.236  ?       ?       0.000000       10.23584  
1 1 1 -21 16  29 o 32.413  12.915  1090.74    681.413  1090.74    681.413  0.0000     0.0000   32.413  12.915  ?       ?       0.000000       12.91492  
1 1 1 -21 16  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 17  1  o 104.730 2.9863  5949.35    338.742  5496.15    453.781  6519.73    509.082  100.586 4.1652  109.543 4.2908  -8.956436      5.979945  
1 1 1 -21 17  2  o 109.511 3.4142  6508.06    404.968  6971.79    505.212  5674.52    677.333  113.293 4.1172  101.838 6.1699  11.45512       7.417481  
1 1 1 -21 17  3  o 124.836 3.6320  8459.37    491.081  8322.30    590.016  8768.43    885.948  123.752 4.4019  126.609 6.4823  -2.857285      7.835642  
1 1 1 -21 17  4  o 118.229 6.6373  7653.91    846.497  0.0000     0.0000   7653.91    846.497  ?       ?       118.229 6.6373  0.000000       6.637298  
1 1 1 -21 17  5  o 175.774 7.4939  16908.53   1426.69  0.0000     0.0000   16908.53   1426.69  ?       ?       175.774 7.4939  0.000000       7.493880  
1 1 1 -21 17  6  o 43.744  4.8042  1053.36    223.870  1053.36    223.870  0.0000     0.0000   43.744  4.8042  ?       ?       0.000000       4.804220  
1 1 1 -21 17  7  o 118.812 3.0989  7660.30    398.785  7730.50    457.210  7437.09    815.305  119.318 3.5378  116.492 6.4876  2.826637       7.389507  
1 1 1 -21 17  8  o 265.572 4.7968  38397.62   1379.76  39632.27   1594.25  34712.99   2754.10  269.597 5.4597  250.213 10.162  19.38414       11.53624  
1 1 1 -21 17  9  o 49.800  3.4870  1353.71    186.897  1324.79    216.399  1438.62    370.785  49.187  4.0992  50.784  6.9212  -1.597145      8.044059  
1 1 1 -21 17  10 o 59.500  3.3537  1929.29    215.249  1921.95    247.402  1952.15    436.621  59.324  3.8716  59.256  6.9342  0.6881332E-01  7.941814  
1 1 1 -21 17  11 o 51.062  3.6603  1425.14    201.090  1450.98    232.605  1348.67    400.097  51.449  4.2111  48.859  7.8245  2.589565       8.885682  
1 1 1 -21 17  12 o 48.470  3.9184  1287.46    203.950  1152.51    240.700  1630.99    384.028  45.673  4.9446  54.055  6.7031  -8.381878      8.329506  
1 1 1 -21 17  13 o 66.972  3.2012  2439.07    232.209  2668.58    271.946  1821.34    446.150  69.923  3.6031  56.920  7.4127  13.00300       8.241945  
1 1 1 -21 17  14 o 162.125 3.4874  14312.44   612.383  14816.19   708.580  12825.78   1217.27  164.821 3.9692  152.035 7.3922  12.78639       8.390412  
1 1 1 -21 17  15 o 93.968  3.1170  4804.94    317.236  4934.25    375.174  4480.54    594.224  95.141  3.6408  89.925  6.1376  5.215752       7.136225  
1 1 1 -21 17  16 o 89.559  3.1466  4367.53    305.227  4705.66    361.586  3529.29    569.309  92.884  3.5942  79.493  6.6740  13.39120       7.580314  
1 1 1 -21 17  17 o 39.626  4.9512  876.286    207.865  751.458    254.838  1124.44    359.308  36.193  6.7491  44.141  7.8007  -7.948025      10.31505  
1 1 1 -21 17  18 o 65.219  3.5201  2330.03    247.733  2350.98    295.680  2280.70    453.797  65.356  4.1992  63.592  6.6888  1.764481       7.897737  
1 1 1 -21 17  19 o 49.566  4.0574  1356.50    215.912  1143.15    296.305  1598.04    315.266  44.857  6.2701  53.412  5.5298  -8.554871      8.360171  
1 1 1 -21 17  20 o 90.801  3.1859  4506.25    313.326  4240.70    437.742  4785.23    448.678  87.525  4.6341  93.167  4.4463  -5.642128      6.422230  
1 1 1 -21 17  21 o 52.879  4.6835  1559.80    265.462  1815.99    450.970  1423.95    328.384  55.818  7.6615  49.959  6.2021  5.858738       9.857242  
1 1 1 -21 17  22 o 22.507  7.7203  277.402    226.983  -67.3942   368.021  489.088    288.362  19.550  8.6844  28.539  8.6102  -8.989464      12.22924  
1 1 1 -21 17  23 o 81.466  3.7191  3659.96    328.161  4030.99    523.233  3419.37    421.328  84.268  5.7674  78.029  5.0118  6.239159       7.640769  
1 1 1 -21 17  24 o 74.694  3.9142  3104.80    315.563  3212.67    509.285  3037.58    402.041  74.367  6.3848  73.198  5.1030  1.168945       8.173498  
1 1 1 -21 17  25 o 50.025  4.6378  1428.81    248.426  1321.99    453.314  1474.66    296.995  44.529  9.6757  50.287  5.5451  -5.757885      11.15198  
1 1 1 -21 17  26 o 39.861  6.2386  963.388    260.509  796.998    443.714  1050.91    321.812  32.870  10.788  40.685  7.5819  -7.815170      13.18549  
1 1 1 -21 17  27 o 28.482  10.151  586.272    394.840  586.272    394.840  0.0000     0.0000   28.482  10.151  ?       ?       0.000000       10.15095  
1 1 1 -21 17  28 o 38.722  2.5240  832.692    105.277  832.692    105.277  0.0000     0.0000   38.722  2.5240  ?       ?       0.000000       2.523990  
1 1 1 -21 17  29 o 25.667  11.953  385.981    809.726  385.981    809.726  0.0000     0.0000   25.667  11.953  ?       ?       0.000000       11.95348  
1 1 1 -21 17  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 18  1  o 107.746 2.9175  6296.83    340.475  6067.14    465.805  6560.34    498.906  105.685 4.0693  109.887 4.1918  -4.201523      5.842138  
1 1 1 -21 18  2  o 107.993 3.0938  6326.85    361.872  5851.80    486.666  6914.33    541.195  103.773 4.3299  112.793 4.4300  -9.019524      6.194553  
1 1 1 -21 18  3  f 155.749 6.7119  13245.14   1132.26  13245.14   1132.26  0.0000     0.0000   155.749 6.7119  ?       ?       0.000000       6.711945  
1 1 1 -21 18  4  o 124.648 6.9370  8515.19    932.827  0.0000     0.0000   8515.19    932.827  ?       ?       124.648 6.9370  0.000000       6.936955  
1 1 1 -21 18  5  o 69.413  6.2413  2649.70    464.217  2649.70    464.217  0.0000     0.0000   69.413  6.2413  ?       ?       0.000000       6.241301  
1 1 1 -21 18  6  o 124.082 3.1525  8354.85    423.681  8329.02    486.716  8435.64    860.814  123.850 3.6284  124.123 6.4251  -0.2733841     7.378786  
1 1 1 -21 18  7  o 16.638  6.5434  86.740     172.807  101.475    191.240  21.174     403.417  17.628  6.8983  22.507  9.5420  -4.878387      11.77437  
1 1 1 -21 18  8  o 187.306 3.7463  19062.77   760.013  19290.88   877.672  18378.97   1519.59  188.324 4.3029  182.951 7.6687  5.372711       8.793353  
1 1 1 -21 18  9  o 206.046 3.9972  23086.47   892.053  23437.90   1029.61  22028.54   1786.41  207.475 4.5818  199.936 8.2494  7.539047       9.436378  
1 1 1 -21 18  10 o 92.890  3.0496  4685.24    306.817  4747.38    355.215  4502.70    608.865  93.463  3.5090  90.468  6.2521  2.994675       7.169504  
1 1 1 -21 18  11 o 62.091  3.2791  2100.94    219.740  2085.95    253.786  2145.85    439.211  61.802  3.8100  62.170  6.6247  -0.3682976     7.642123  
1 1 1 -21 18  12 o 142.134 3.2734  10983.42   503.925  10539.17   582.115  12311.90   1006.64  139.123 3.8631  149.727 6.2073  -10.60388      7.311258  
1 1 1 -21 18  13 o 115.289 3.0468  7225.46    380.450  7127.61    439.082  7520.22    762.073  114.429 3.5427  116.819 6.0437  -2.389656      7.005523  
1 1 1 -21 18  14 o 54.021  3.5747  1596.49    207.978  1603.21    243.983  1578.63    397.783  54.033  4.2021  52.941  7.1175  1.091400       8.265367  
1 1 1 -21 18  15 o 34.635  5.1668  672.138    187.894  743.886    225.556  509.466    339.629  36.295  5.9434  30.033  9.3975  6.262569       11.11927  
1 1 1 -21 18  16 o 73.630  3.3411  2954.40    266.451  2909.83    316.969  3061.78    491.945  72.861  4.0322  74.158  6.1811  -1.297409      7.380012  
1 1 1 -21 18  17 o 86.386  3.3054  4069.70    309.272  3929.17    370.055  4395.21    563.215  84.738  4.0320  88.926  5.8808  -4.188232      7.130227  
1 1 1 -21 18  18 o 98.419  3.0636  5280.44    326.570  5205.77    407.561  5414.37    545.837  97.532  3.8581  98.955  5.1102  -1.422501      6.403093  
1 1 1 -21 18  19 o 41.854  4.5522  975.233    203.035  991.860    284.293  957.925    290.064  41.644  6.5166  40.818  6.8002  0.8254585      9.418548  
1 1 1 -21 18  20 o 9.8068  4.8363  -390.9849  184.245  -674.8430  266.017  -129.2706  255.430  11.041  5.5065  15.462  7.0195  -4.420959      8.921615  
1 1 1 -21 18  21 o 19.366  7.5486  146.473    228.309  521.724    395.930  -40.4619   279.449  29.961  10.197  17.457  7.6688  12.50386       12.75892  
1 1 1 -21 18  22 f 19.620  7.5236  165.493    224.052  271.407    366.131  102.087    283.287  24.581  9.5654  19.802  8.1651  4.779394       12.57641  
1 1 1 -21 18  23 o 51.922  4.7452  1515.41    263.905  2020.51    420.970  1188.39    338.729  59.014  6.7051  44.853  7.2173  14.16100       9.851246  
1 1 1 -21 18  24 o 33.200  7.0556  666.380    245.895  610.561    400.655  700.111    311.452  30.867  10.257  33.355  8.5740  -2.487310      13.36830  
1 1 1 -21 18  25 o 21.745  7.8854  267.863    239.432  -25.0728   413.358  415.773    293.724  20.247  9.0840  25.714  8.7827  -5.467422      12.63544  
1 1 1 -21 18  26 o 30.793  2.3328  523.690    77.226   1047.77    401.558  503.563    78.695   38.906  9.5905  30.168  2.4290  8.737980       9.893355  
1 1 1 -21 18  27 o 24.081  9.5807  350.638    374.470  350.638    374.470  0.0000     0.0000   24.081  9.5807  ?       ?       0.000000       9.580659  
1 1 1 -21 18  28 o 16.649  7.9185  -265.4747  390.133  -265.4747  390.133  0.0000     0.0000   16.649  7.9185  ?       ?       0.000000       7.918503  
1 1 1 -21 18  29 o 19.871  9.6480  -382.3276  652.330  -382.3276  652.330  0.0000     0.0000   19.871  9.6480  ?       ?       0.000000       9.647961  
1 1 1 -21 19  1  o 119.138 3.0700  7700.35    396.150  7347.96    545.143  8094.67    576.666  116.279 4.3285  122.040 4.3627  -5.761879      6.145641  
1 1 1 -21 19  2  o 242.686 6.2190  32125.60   1634.68  29804.38   2295.46  34514.05   2328.46  232.802 9.1036  250.737 8.5739  -17.93515      12.50547  
1 1 1 -21 19  3  o 84.824  5.6957  3937.62    520.250  3937.62    520.250  0.0000     0.0000   84.824  5.6957  ?       ?       0.000000       5.695719  
1 1 1 -21 19  4  o 108.684 5.8715  6457.65    688.605  6457.65    688.605  0.0000     0.0000   108.684 5.8715  ?       ?       0.000000       5.871499  
1 1 1 -21 19  5  o 115.814 3.6066  7282.60    452.403  7405.14    544.786  7010.38    812.018  116.719 4.3094  113.086 6.6590  3.633911       7.931767  
1 1 1 -21 19  6  o 90.613  3.0458  4455.23    298.926  4424.25    337.897  4566.82    641.161  90.272  3.4559  91.193  6.5347  -0.9210815     7.392224  
1 1 1 -21 19  7  o 171.470 3.6509  15970.63   678.050  16316.25   748.051  14378.91   1605.34  173.266 3.9861  161.152 9.2358  12.11351       10.05926  
1 1 1 -21 19  8  o 188.257 3.7536  19258.76   765.364  19075.88   882.768  19812.38   1535.95  187.250 4.3527  189.985 7.4643  -2.735306      8.640648  
1 1 1 -21 19  9  o 13.559  5.8102  -7.8508    152.439  55.642     182.876  -152.4158  275.946  16.231  6.6108  16.173  7.3241  0.5726814E-01  9.866344  
1 1 1 -21 19  10 o 178.136 3.6485  17252.48   703.934  17047.45   811.781  17874.00   1413.37  176.954 4.2355  180.281 7.2383  -3.327362      8.386462  
1 1 1 -21 19  11 o 63.300  3.3416  2183.97    228.288  2296.67    265.647  1865.70    446.431  64.857  3.7982  57.753  7.2999  7.104332       8.228929  
1 1 1 -21 19  12 o 19.127  6.4724  187.571    159.507  299.085    184.278  -145.5896  318.519  23.127  6.8619  17.664  7.9458  5.463282       10.49860  
1 1 1 -21 19  13 o 61.273  3.2096  2047.44    212.264  2023.56    244.796  2119.79    426.125  60.838  3.7330  61.707  6.4722  -0.8684616     7.471558  
1 1 1 -21 19  14 o 40.111  1.6541  872.414    71.862   565.145    211.320  912.594    76.417   31.457  6.4196  41.022  1.7199  -9.565449      6.646037  
1 1 1 -21 19  15 o 55.815  2.6099  1692.96    157.778  2263.53    284.160  1438.65    189.708  64.249  4.1049  51.275  3.4358  12.97380       5.353044  
1 1 1 -21 19  16 o 30.482  6.1884  531.842    197.335  236.173    242.812  1107.05    338.672  22.110  7.9518  43.994  7.3680  -21.88470      10.84054  
1 1 1 -21 19  17 o 59.561  3.6069  1944.26    231.589  1867.49    275.325  2129.97    428.231  58.199  4.4003  61.556  6.5224  -3.356495      7.867887  
1 1 1 -21 19  18 o 19.375  7.1046  173.512    195.141  398.071    247.027  -199.2156  318.255  26.353  7.9734  16.830  7.7144  9.523895       11.09448  
1 1 1 -21 19  19 o 37.524  1.1896  763.418    48.347   313.438    281.582  777.086    49.075   24.456  8.5868  37.858  1.1968  -13.40189      8.669768  
1 1 1 -21 19  20 f 24.388  7.1771  344.598    202.285  103.624    291.134  569.519    281.269  20.206  8.2982  30.907  8.2486  -10.70092      11.70037  
1 1 1 -21 19  21 o 138.410 3.3955  10501.37   509.031  11911.87   745.000  9266.28    697.139  146.611 4.6916  129.120 4.9849  17.49135       6.845435  
1 1 1 -21 19  22 o 36.218  6.4320  764.454    243.076  632.270    404.395  839.229    304.155  32.067  10.282  37.455  7.7529  -5.388355      12.87697  
1 1 1 -21 19  23 o 77.636  3.7037  3325.44    311.438  3743.46    484.598  3031.29    406.503  81.287  5.5372  73.334  5.1505  7.952385       7.562258  
1 1 1 -21 19  24 o 42.798  5.6488  1060.68    255.447  1236.88    411.935  950.592    325.614  44.341  8.8868  39.306  7.9221  5.035358       11.90525  
1 1 1 -21 19  25 o 20.380  7.7134  215.920    233.575  274.813    382.846  181.000    294.798  23.694  9.5965  20.729  8.4121  2.965240       12.76156  
1 1 1 -21 19  26 o 17.422  7.6307  22.786     274.846  261.049    359.474  -312.4996  426.428  22.786  9.2732  17.531  8.3209  5.254105       12.45912  
1 1 1 -21 19  27 o 24.170  9.6139  355.211    376.993  355.211    376.993  0.0000     0.0000   24.170  9.6139  ?       ?       0.000000       9.613891  
1 1 1 -21 19  28 o 21.261  9.2928  165.011    405.729  165.011    405.729  0.0000     0.0000   21.261  9.2928  ?       ?       0.000000       9.292761  
1 1 1 -21 19  29 o 19.358  9.4625  -496.9210  657.687  -496.9210  657.687  0.0000     0.0000   19.358  9.4625  ?       ?       0.000000       9.462462  
1 1 1 -21 20  1  o 176.867 5.0453  17024.54   966.516  16669.53   1351.69  17395.96   1382.56  174.582 7.1484  178.343 7.1574  -3.761169      10.11572  
1 1 1 -21 20  2  f 68.925  4.3287  2592.07    321.507  2407.68    417.214  2861.67    504.474  66.202  5.8798  72.109  6.5300  -5.907364      8.787133  
1 1 1 -21 20  3  o 260.614 6.7296  37105.18   1899.58  36899.69   2676.13  37313.86   2696.80  258.753 9.5489  260.191 9.5695  -1.438324      13.51871  
1 1 1 -21 20  4  o 164.427 4.0336  14688.81   718.349  14700.29   873.909  14664.89   1261.38  164.364 4.9090  163.738 7.1126  0.6259003      8.642125  
1 1 1 -21 20  5  f 90.841  3.1431  4478.09    309.251  4574.17    417.291  4361.03    460.604  91.738  4.1997  89.402  4.7740  2.335777       6.358389  
1 1 1 -21 20  6  o 115.477 2.9684  7235.42    371.263  7409.47    428.427  6710.60    743.942  116.824 3.3859  110.678 6.2313  6.145874       7.091785  
1 1 1 -21 20  7  o 35.825  4.4357  708.755    168.438  762.517    199.896  577.115    312.795  37.068  5.1152  31.866  8.7813  5.201889       10.16249  
1 1 1 -21 20  8  o 64.044  3.1586  2226.83    219.104  2381.78    255.583  1797.25    425.553  66.115  3.5825  56.833  7.0657  9.282001       7.922020  
1 1 1 -21 20  9  o 92.027  2.7931  4596.19    278.406  4929.91    347.918  4002.06    464.219  95.263  3.3720  85.524  5.0337  9.739349       6.058705  
1 1 1 -21 20  10 o 65.686  2.5067  2341.08    178.342  2583.33    253.861  2105.03    250.597  68.945  3.3995  62.102  3.7431  6.843525       5.056474  
1 1 1 -21 20  11 o 126.239 3.1227  8658.92    426.970  8878.04    492.098  7991.57    858.802  127.763 3.5561  120.412 6.6103  7.351357       7.506088  
1 1 1 -21 20  12 o 66.611  3.1495  2412.06    227.229  2298.47    261.929  2757.62    456.833  64.867  3.7440  70.621  6.0303  -5.753830      7.098053  
1 1 1 -21 20  13 o 49.658  2.1153  1337.94    113.771  1247.65    215.513  1372.83    133.959  47.635  4.2208  50.284  2.4596  -2.648716      4.885174  
1 1 1 -21 20  14 o 14.743  6.1017  34.089     159.029  107.866    187.724  -153.4341  299.288  17.571  6.8460  16.874  7.6358  0.6965485      10.25541  
1 1 1 -21 20  15 o 50.019  4.0972  1375.55    220.023  1323.32    255.050  1527.51    435.023  48.899  4.8809  51.709  8.0278  -2.810246      9.395118  
1 1 1 -21 20  16 o 99.689  3.0532  5411.13    329.664  5920.95    398.645  4308.30    586.319  104.184 3.5328  88.014  6.1899  16.17052       7.127095  
1 1 1 -21 20  17 o 100.176 3.1376  5469.66    340.437  5618.73    399.036  5070.97    652.592  101.422 3.6325  95.319  6.3576  6.103004       7.322157  
1 1 1 -21 20  18 o 20.359  7.1743  208.182    196.693  382.288    248.345  -84.8409   322.181  25.917  8.0240  18.346  8.1388  7.571188       11.42907  
1 1 1 -21 20  19 o 24.454  6.8205  346.427    187.469  510.954    283.155  218.025    250.146  29.453  8.4413  21.649  8.0254  7.804401       11.64740  
1 1 1 -21 20  20 o 113.875 3.1659  7089.55    390.475  7120.61    552.196  7058.48    552.235  113.584 4.4886  113.078 4.5090  0.5062790      6.362223  
1 1 1 -21 20  21 o 61.779  4.0973  2112.93    272.605  1948.67    424.771  2227.96    355.464  58.185  6.8730  63.011  5.2564  -4.826622      8.652601  
1 1 1 -21 20  22 o 21.431  7.7490  234.292    230.978  675.701    389.276  -5.5574    286.950  32.988  10.016  18.116  7.8680  14.87166       12.73652  
1 1 1 -21 20  23 o 71.682  3.9643  2851.75    306.586  2975.31    494.673  2774.68    390.664  71.845  6.4248  70.108  5.1815  1.736954       8.253879  
1 1 1 -21 20  24 o 53.234  4.7075  1605.39    268.625  1832.02    424.905  1454.50    346.700  55.307  7.2692  49.614  6.6167  5.693344       9.829638  
1 1 1 -21 20  25 o 37.076  6.2790  828.655    243.151  902.967    375.764  775.125    318.920  36.563  9.4279  34.393  8.5875  2.169430       12.75266  
1 1 1 -21 20  26 o 34.083  1.6012  633.401    59.109   636.325    59.615   463.257    454.771  34.160  1.6112  26.807  10.592  7.353092       10.71370  
1 1 1 -21 20  27 o 42.121  9.6328  1255.91    429.909  1255.91    429.909  0.0000     0.0000   42.121  9.6328  ?       ?       0.000000       9.632774  
1 1 1 -21 20  28 o 18.726  8.5128  -11.6910   377.242  -11.6910   377.242  0.0000     0.0000   18.726  8.5128  ?       ?       0.000000       8.512795  
1 1 1 -21 20  29 f 20.617  10.152  -585.5361  802.104  -585.5361  802.104  0.0000     0.0000   20.617  10.152  ?       ?       0.000000       10.15229  
1 1 1 -21 21  1  o 10.027  4.7863  -195.9296  145.270  -238.6966  164.068  -40.7155   312.561  10.447  5.0137  18.999  8.2316  -8.552104      9.638328  
1 1 1 -21 21  2  o 167.516 4.9681  15271.60   901.395  15247.60   1257.69  15296.95   1292.56  166.992 6.9535  167.220 7.1366  -0.2274323     9.964078  
1 1 1 -21 21  3  o 111.468 2.7514  6739.04    332.179  6862.40    414.730  6518.27    554.810  112.438 3.4055  109.469 4.6793  2.968430       5.787348  
1 1 1 -21 21  4  o 168.771 4.0469  15477.27   739.763  15011.01   896.502  16472.17   1309.57  166.065 4.9843  173.539 6.9672  -7.474335      8.566519  
1 1 1 -21 21  5  o 62.617  4.4807  2143.26    301.876  2671.01    453.457  1723.20    404.551  69.698  6.0674  55.725  6.8468  13.97289       9.148364  
1 1 1 -21 21  6  o 148.632 3.2876  11992.89   529.255  11583.03   610.640  13230.41   1061.07  146.003 3.8615  155.609 6.2956  -9.606018      7.385512  
1 1 1 -21 21  7  o 97.451  2.9175  5153.50    307.946  5186.85    356.435  5055.34    611.543  97.733  3.3672  96.039  5.9077  1.694054       6.799936  
1 1 1 -21 21  8  o 167.312 3.4901  15207.34   632.466  15218.57   729.778  15173.47   1267.70  167.287 4.0277  166.330 7.0368  0.9567566      8.107969  
1 1 1 -21 21  9  o 20.130  6.2253  221.170    149.532  249.251    174.569  143.792    289.783  21.437  6.7423  21.399  8.4550  0.3830147E-01  10.81408  
1 1 1 -21 21  10 o 46.379  3.7238  1177.42    185.484  1314.99    214.352  767.359    370.066  48.982  4.0774  36.460  9.3319  12.52181       10.18382  
1 1 1 -21 21  11 o 46.571  3.7386  1187.82    186.990  1156.09    213.429  1292.60    387.873  45.850  4.3499  47.780  7.7614  -1.930038      8.897226  
1 1 1 -21 21  12 o 56.521  3.2930  1743.25    200.720  1829.09    228.995  1458.65    416.983  57.848  3.6739  50.740  7.8402  7.108204       8.658328  
1 1 1 -21 21  13 o 56.915  3.3969  1769.24    208.447  1637.18    241.184  2159.05    414.377  54.632  4.1060  62.325  6.2216  -7.692780      7.454397  
1 1 1 -21 21  14 o 85.724  3.1041  3997.99    288.208  4247.56    338.711  3343.24    548.618  88.298  3.5417  77.505  6.5982  10.79298       7.488627  
1 1 1 -21 21  15 o 136.003 3.2778  10073.64   482.833  9895.45    558.185  10603.20   962.274  134.657 3.8272  138.433 6.4179  -3.775558      7.472365  
1 1 1 -21 21  16 o 72.314  3.3605  2850.95    263.209  2594.29    308.711  3534.23    503.698  68.737  4.1663  79.768  5.8713  -11.03123      7.199287  
1 1 1 -21 21  17 o 60.645  3.5984  2015.64    235.304  1885.05    279.210  2335.70    437.119  58.456  4.4432  64.538  6.3350  -6.081814      7.737864  
1 1 1 -21 21  18 o 45.300  4.3998  1137.25    213.150  1259.75    258.073  874.327    378.080  47.523  5.0931  38.285  9.2264  9.238720       10.53875  
1 1 1 -21 21  19 o 88.267  3.2570  4256.94    311.379  4054.75    369.104  4756.02    579.896  85.963  3.9643  92.233  5.8349  -6.270477      7.054253  
1 1 1 -21 21  20 o 36.706  5.0628  760.509    195.920  907.476    284.978  628.789    269.790  39.538  6.9059  32.536  7.7639  7.002228       10.39086  
1 1 1 -21 21  21 o 69.451  2.7995  2634.54    210.588  2175.97    463.323  2753.94    236.420  61.381  7.1002  70.945  3.0767  -9.564171      7.738177  
1 1 1 -21 21  22 o 72.908  3.7839  2936.04    297.777  3112.91    462.228  2810.56    389.332  74.118  5.8043  70.760  5.1144  3.358131       7.736080  
1 1 1 -21 21  23 f 84.292  3.6646  3921.43    334.569  3872.26    526.460  3954.74    433.326  82.331  5.9438  83.974  4.7841  -1.643021      7.629945  
1 1 1 -21 21  24 o 46.257  5.3299  1231.86    262.147  1248.15    422.543  1221.67    334.251  44.219  9.1251  45.092  7.0768  -0.8730011     11.54770  
1 1 1 -21 21  25 f 19.499  7.6497  178.473    235.641  404.476    380.636  38.034     300.052  25.770  9.8242  18.417  8.0221  7.352402       12.68348  
1 1 1 -21 21  26 o 46.753  6.5910  1337.51    324.498  1700.09    428.540  850.208    496.809  51.551  7.9292  33.284  11.421  18.26715       13.90395  
1 1 1 -21 21  27 o 13.684  2.8113  107.424    40.273   107.424    40.273   0.0000     0.0000   13.684  2.8113  ?       ?       0.000000       2.811293  
1 1 1 -21 21  28 o 21.576  9.2344  212.936    384.209  212.936    384.209  0.0000     0.0000   21.576  9.2344  ?       ?       0.000000       9.234402  
1 1 1 -21 21  29 o 29.106  12.425  819.133    692.421  819.133    692.421  0.0000     0.0000   29.106  12.425  ?       ?       0.000000       12.42538  
1 1 1 -21 22  1  o 249.319 6.3505  33946.01   1714.87  31658.05   2416.36  36267.70   2434.11  239.624 9.3103  256.741 8.7533  -17.11768      12.77897  
1 1 1 -21 22  2  o 150.975 3.3977  12373.26   555.592  12461.86   772.932  12278.53   799.178  151.347 4.7152  150.200 4.9125  1.146759       6.809209  
1 1 1 -21 22  3  o 129.517 3.1962  9103.67    448.359  9310.04    509.140  8390.83    946.254  130.940 3.5900  123.630 7.0964  7.310143       7.952776  
1 1 1 -21 22  4  o 44.537  3.4336  1083.27    164.355  1065.84    187.512  1141.07    341.419  44.113  3.9670  45.106  7.2330  -0.9928436     8.249419  
1 1 1 -21 22  5  o 14.698  5.9924  43.788     150.451  28.691     181.790  76.609     268.038  15.601  6.4958  19.531  7.9847  -3.929890      10.29331  
1 1 1 -21 22  6  o 140.542 3.7132  10731.17   565.235  11699.95   695.692  8849.59    969.542  146.657 4.3797  126.902 7.0821  19.75507       8.326946  
1 1 1 -21 22  7  o 195.753 3.8508  20828.01   816.447  21251.07   942.362  19554.61   1634.93  197.620 4.4027  188.531 8.0066  9.088806       9.137225  
1 1 1 -21 22  8  o 156.753 3.4053  13347.83   578.144  13326.17   667.929  13412.56   1154.50  156.545 3.9393  156.413 6.8148  0.1322021      7.871442  
1 1 1 -21 22  9  o 76.898  2.9361  3210.47    244.545  3310.18    283.144  2917.71    485.166  78.054  3.3492  72.734  6.2184  5.320297       7.063007  
1 1 1 -21 22  10 o 102.195 2.9677  5672.09    328.493  5724.67    381.226  5520.50    647.329  102.619 3.4299  100.209 5.9916  2.409683       6.903887  
1 1 1 -21 22  11 o 19.457  6.5145  196.279    161.571  153.914    185.757  327.937    327.461  18.763  6.9237  25.945  9.2446  -7.182051      11.54991  
1 1 1 -21 22  12 o 81.645  3.0466  3623.42    269.415  3484.14    311.694  4034.91    535.743  80.002  3.5971  85.548  5.8165  -5.545807      6.838949  
1 1 1 -21 22  13 o 45.323  3.9980  1128.85    194.249  1139.59    227.478  1099.95    373.267  45.417  4.6920  43.772  8.1739  1.644753       9.424829  
1 1 1 -21 22  14 o 96.356  3.0985  5051.46    323.373  5207.84    379.276  4635.13    618.829  97.760  3.5820  91.439  6.2866  6.320938       7.235432  
1 1 1 -21 22  15 o 67.378  3.4577  2480.70    251.484  2367.05    291.149  2814.64    499.080  65.689  4.1129  70.994  6.5648  -5.304680      7.746785  
1 1 1 -21 22  16 o 41.357  4.5893  949.162    202.103  1045.74    231.464  639.271    414.616  43.335  5.0247  33.217  10.382  10.11782       11.53359  
1 1 1 -21 22  17 o 66.674  2.6393  2418.64    190.600  2125.49    312.346  2592.55    240.587  62.027  4.6838  68.951  3.2215  -6.924843      5.684752  
1 1 1 -21 22  18 o 41.867  4.6992  976.322    209.411  839.504    252.924  1274.56    373.421  38.349  6.3087  46.993  7.5956  -8.644421      9.873887  
1 1 1 -21 22  19 o 30.046  6.3444  523.248    199.984  474.145    244.253  623.105    348.319  28.395  7.7331  32.298  9.3932  -3.903368      12.16685  
1 1 1 -21 22  20 o 58.843  3.6114  1905.78    229.054  1845.02    330.114  1962.19    318.085  57.337  5.3785  59.282  5.0006  -1.944508      7.344022  
1 1 1 -21 22  21 o 33.009  6.8852  641.276    238.192  545.055    391.852  697.665    299.974  30.323  10.145  34.010  8.2320  -3.687006      13.06487  
1 1 1 -21 22  22 o 41.469  1.8782  935.311    84.359   575.974    393.262  952.643    86.370   30.814  10.158  41.849  1.9055  -11.03533      10.33505  
1 1 1 -21 22  23 f 59.637  4.2480  1985.75    272.600  2115.99    419.751  1890.76    358.488  60.383  6.5217  57.426  5.8451  2.957069       8.757729  
1 1 1 -21 22  24 o 17.554  7.2562  85.787     224.509  -184.9245  347.997  278.791    293.836  17.226  7.9579  22.952  8.6599  -5.726034      11.76108  
1 1 1 -21 22  25 o 17.243  7.2457  76.253     229.314  -127.6405  354.622  222.781    300.624  17.667  8.1148  21.484  8.5726  -3.817036      11.80424  
1 1 1 -21 22  26 o 35.244  8.0708  812.895    301.452  462.599    390.175  1331.65    474.813  26.484  9.9823  43.188  10.296  -16.70399      14.34058  
1 1 1 -21 22  27 o 16.929  7.9304  -188.9516  364.984  -188.9516  364.984  0.0000     0.0000   16.929  7.9304  ?       ?       0.000000       7.930429  
1 1 1 -21 22  28 o 16.757  7.9587  -248.1490  391.371  -248.1490  391.371  0.0000     0.0000   16.757  7.9587  ?       ?       0.000000       7.958653  
1 1 1 -21 22  29 o 19.700  9.6090  -459.4294  667.847  -459.4294  667.847  0.0000     0.0000   19.700  9.6090  ?       ?       0.000000       9.609048  
1 1 1 -21 23  1  o 157.338 3.2186  13436.43   548.497  12912.47   762.396  13998.60   789.708  154.065 4.5689  160.417 4.5451  -6.352448      6.444576  
1 1 1 -21 23  2  o 146.081 3.2700  11583.19   517.376  11612.80   589.471  11483.84   1079.62  146.218 3.7221  144.885 6.8798  1.333664       7.822173  
1 1 1 -21 23  3  o 166.759 3.5042  15099.91   632.925  14999.11   722.910  15430.88   1309.93  166.132 4.0175  167.859 7.2050  -1.726486      8.249425  
1 1 1 -21 23  4  o 41.781  3.6436  955.283    163.232  934.988    188.035  1017.35    328.833  41.250  4.2706  42.489  7.4152  -1.239326      8.557034  
1 1 1 -21 23  5  o 56.035  3.5859  1712.35    216.494  1799.01    263.248  1531.26    380.537  57.360  4.2678  52.461  6.8616  4.899136       8.080600  
1 1 1 -21 23  6  o 126.661 3.6092  8715.40    495.134  8851.83    596.417  8412.88    888.141  127.563 4.3167  123.808 6.6474  3.754417       7.926073  
1 1 1 -21 23  7  o 95.581  2.9170  4958.27    301.983  4937.57    350.114  5018.40    596.789  95.346  3.3903  95.685  5.7857  -0.3396225     6.705820  
1 1 1 -21 23  8  o 115.471 2.9881  7238.60    373.710  7526.96    430.640  6359.17    752.062  117.708 3.3778  107.551 6.4864  10.15703       7.313234  
1 1 1 -21 23  9  o 103.265 2.9163  5789.81    326.179  5783.12    375.161  5810.54    660.219  103.162 3.3576  102.866 5.9512  0.2965622      6.833058  
1 1 1 -21 23  10 f 153.323 3.3668  12779.01   559.109  12926.94   646.448  12339.81   1113.87  154.114 3.8728  149.776 6.8663  4.338562       7.883154  
1 1 1 -21 23  11 o 26.942  5.8619  413.222    166.194  270.092    190.319  872.855    341.053  22.273  7.0441  38.941  8.3377  -16.66763      10.91499  
1 1 1 -21 23  12 o 33.703  4.4465  630.588    158.350  613.307    194.366  664.698    273.074  32.993  5.6419  33.990  7.6074  -0.9967613     9.471199  
1 1 1 -21 23  13 o 56.217  3.4088  1726.69    206.574  1588.25    238.162  2147.20    415.089  53.795  4.1188  62.123  6.2541  -8.328072      7.488543  
1 1 1 -21 23  14 o 34.492  5.2746  667.447    190.788  616.933    217.478  836.191    397.487  32.902  6.3325  37.731  9.6792  -4.828613      11.56668  
1 1 1 -21 23  15 o 20.166  6.8694  210.077    179.685  179.353    204.790  312.847    374.548  19.845  7.2780  26.239  9.8018  -6.393869      12.20834  
1 1 1 -21 23  16 o 133.168 3.2458  9666.38    468.162  9484.79    540.348  10213.08   937.571  131.757 3.7864  135.628 6.3824  -3.870865      7.421045  
1 1 1 -21 23  17 o 99.823  3.1908  5433.63    344.987  5603.40    407.632  5005.07    647.650  101.246 3.7172  94.653  6.3542  6.593956       7.361665  
1 1 1 -21 23  18 o 79.378  3.3048  3440.74    284.131  3163.77    336.200  4132.98    531.514  75.839  4.1082  86.110  5.7316  -10.27119      7.051882  
1 1 1 -21 23  19 o 59.300  2.5983  1915.51    166.885  2028.34    299.295  1864.60    201.039  60.482  4.6034  58.335  3.1940  2.146412       5.602910  
1 1 1 -21 23  20 o ?       ?       -192.6935  31.329   498.320    286.274  -201.0695  31.518   28.971  8.5415  ?       ?       0.000000       8.541473  
1 1 1 -21 23  21 o 43.938  5.1404  1089.71    240.003  1130.69    390.698  1064.87    304.156  43.298  8.6339  42.806  6.7867  0.4921532      10.98199  
1 1 1 -21 23  22 o 49.341  4.9500  1370.47    260.965  1264.08    424.648  1435.04    330.804  45.520  8.9320  49.957  6.2506  -4.436527      10.90189  
1 1 1 -21 23  23 o 20.243  7.5522  199.688    222.212  124.026    341.532  255.229    292.619  21.331  8.8944  22.766  8.6293  -1.434887      12.39255  
1 1 1 -21 23  24 o 53.723  4.5481  1635.40    262.157  1749.42    398.638  1548.51    347.994  54.043  6.9731  51.178  6.4192  2.865036       9.477879  
1 1 1 -21 23  25 o 80.339  3.6817  3611.78    320.365  3745.63    479.415  3503.79    430.630  80.026  5.5657  77.815  5.1384  2.211319       7.574963  
1 1 1 -21 23  26 o 31.567  10.070  716.744    388.285  716.744    388.285  0.0000     0.0000   31.567  10.070  ?       ?       0.000000       10.06972  
1 1 1 -21 23  27 o 38.793  10.078  1106.17    427.271  1106.17    427.271  0.0000     0.0000   38.793  10.078  ?       ?       0.000000       10.07795  
1 1 1 -21 23  28 o 31.844  1.4233  553.064    49.088   553.064    49.088   0.0000     0.0000   31.844  1.4233  ?       ?       0.000000       1.423251  
1 1 1 -21 23  29 o 21.358  10.478  -475.8960  828.761  -475.8960  828.761  0.0000     0.0000   21.358  10.478  ?       ?       0.000000       10.47782  
1 1 1 -21 24  1  o 278.203 4.3682  42094.72   1316.23  41593.77   1694.94  42855.81   2089.15  276.139 5.6670  279.815 6.8933  -3.676147      8.923729  
1 1 1 -21 24  2  f 140.798 3.1615  10759.75   482.122  10305.96   546.471  12353.36   1024.08  137.744 3.6629  150.370 6.2878  -12.62544      7.276930  
1 1 1 -21 24  3  o 112.341 2.9427  6848.02    358.056  7232.88    410.148  5615.08    734.116  115.428 3.2807  101.091 6.7434  14.33638       7.499099  
1 1 1 -21 24  4  o 77.773  2.7951  3281.58    235.448  3512.80    268.863  2520.95    487.649  80.451  3.0855  67.548  6.7560  12.90319       7.427250  
1 1 1 -21 24  5  o 173.727 4.1498  16411.67   780.853  16906.27   955.896  15419.68   1353.75  176.161 5.0099  167.635 7.4560  8.526566       8.982804  
1 1 1 -21 24  6  o 126.451 3.5532  8686.53    486.650  9338.50    596.661  7390.92    841.103  131.028 4.2043  115.983 6.7244  15.04462       7.930513  
1 1 1 -21 24  7  o 50.092  3.4262  1369.39    184.773  1516.35    215.949  967.773    356.993  52.678  3.8106  41.196  8.2879  11.48241       9.121978  
1 1 1 -21 24  8  f 144.792 3.2278  11387.36   506.194  12089.07   568.825  8716.87    1109.67  149.144 3.5213  125.410 8.2148  23.73415       8.937724  
1 1 1 -21 24  9  o 103.964 2.9561  5869.46    332.867  6136.73    385.407  5084.76    660.390  106.263 3.3486  96.081  6.3822  10.18240       7.207334  
1 1 1 -21 24  10 o 117.982 3.0498  7562.42    389.724  7315.16    449.077  8316.74    784.386  115.968 3.5753  123.192 5.8786  -7.224564      6.880497  
1 1 1 -21 24  11 o 62.153  3.0922  2099.68    208.163  1956.88    235.206  2615.74    447.133  59.851  3.6457  68.760  6.0661  -8.909344      7.077315  
1 1 1 -21 24  12 f 13.823  5.8452  8.9749     150.752  -114.8936  171.432  431.460    316.605  12.425  5.6830  28.082  9.1072  -15.65716      10.73486  
1 1 1 -21 24  13 o 46.592  4.2297  1194.79    211.121  1030.85    252.312  1577.56    385.542  42.984  5.5490  52.983  6.8808  -9.999031      8.839493  
1 1 1 -21 24  14 o 69.340  3.3063  2618.02    248.312  2648.20    284.509  2521.54    508.704  69.578  3.7896  67.045  7.1140  2.532967       8.060418  
1 1 1 -21 24  15 o 85.693  3.1761  3999.18    294.787  3850.19    341.009  4439.76    586.400  83.989  3.7486  89.428  6.0904  -5.438568      7.151582  
1 1 1 -21 24  16 o 58.740  3.6355  1891.15    230.162  1899.07    264.297  1866.29    468.228  58.752  4.1807  57.169  7.7625  1.582096       8.816718  
1 1 1 -21 24  17 o 82.715  3.3030  3733.03    295.908  3572.54    348.212  4150.12    561.367  80.781  3.9798  86.264  6.0464  -5.483315      7.238673  
1 1 1 -21 24  18 o 55.756  3.9693  1712.47    238.142  2066.34    290.660  989.844    415.358  61.155  4.4179  40.578  9.6005  20.57716       10.56821  
1 1 1 -21 24  19 f 35.709  5.7367  726.773    214.363  784.765    266.401  620.256    361.045  36.753  6.9469  32.200  9.6164  4.552368       11.86316  
1 1 1 -21 24  20 o 64.605  3.5586  2295.56    248.050  2013.20    367.121  2532.74    336.470  59.747  5.7439  67.520  4.6288  -7.773148      7.376883  
1 1 1 -21 24  21 o 85.871  3.3985  4045.87    316.084  4150.77    493.137  3972.72    411.798  86.024  5.3188  84.562  4.5124  1.461853       6.975063  
1 1 1 -21 24  22 o 53.730  4.5355  1614.14    261.482  1638.99    413.140  1597.54    337.734  52.813  7.4278  52.839  6.0082  -0.2590942E-01 9.553551  
1 1 1 -21 24  23 o 20.869  7.6889  220.858    228.946  233.053    365.125  212.956    293.900  23.542  9.4290  21.896  8.5563  1.646061       12.73248  
1 1 1 -21 24  24 o 44.138  5.4780  1131.47    256.253  1746.13    407.017  727.848    329.827  53.784  7.1653  33.481  8.9308  20.30336       11.44987  
1 1 1 -21 24  25 o 47.813  5.2408  1334.86    266.957  1374.57    425.255  1309.04    342.953  45.627  8.9249  46.017  7.1100  -0.3907051     11.41080  
1 1 1 -21 24  26 o 24.273  1.6878  323.085    44.097   323.085    44.097   0.0000     0.0000   24.273  1.6878  ?       ?       0.000000       1.687840  
1 1 1 -21 24  27 o 19.658  8.7397  55.827     373.458  55.827     373.458  0.0000     0.0000   19.658  8.7397  ?       ?       0.000000       8.739720  
1 1 1 -21 24  28 o 36.930  10.892  1103.55    465.449  1103.55    465.449  0.0000     0.0000   36.930  10.892  ?       ?       0.000000       10.89219  
1 1 1 -21 24  29 o 21.042  10.134  -236.8480  684.407  -236.8480  684.407  0.0000     0.0000   21.042  10.134  ?       ?       0.000000       10.13432  
1 1 1 -21 25  1  o 113.583 3.0033  7001.35    369.470  7053.77    415.297  6802.39    809.111  113.977 3.3641  111.287 6.7445  2.689934       7.536945  
1 1 1 -21 25  2  o 154.232 3.3441  12915.74   558.635  13216.99   642.089  11977.53   1133.12  155.962 3.8011  147.861 7.0755  8.101364       8.031835  
1 1 1 -21 25  3  o 95.621  2.8532  4961.00    295.500  5070.84    337.648  4601.60    610.771  96.648  3.2255  91.566  6.1950  5.082359       6.984387  
1 1 1 -21 25  4  o 62.296  2.8791  2105.78    194.263  2247.82    221.211  1627.01    406.127  64.349  3.1739  54.039  7.1115  10.30957       7.787647  
1 1 1 -21 25  5  o 39.896  3.5757  871.576    152.870  1007.18    173.576  402.754    322.746  42.886  3.7753  27.673  9.2060  15.21267       9.950102  
1 1 1 -21 25  6  o 149.761 4.6752  12214.37   758.339  11898.71   1071.08  12531.65   1073.84  147.377 6.7100  151.286 6.5535  -3.908951      9.379316  
1 1 1 -21 25  7  o 61.015  3.1021  2026.64    204.330  1964.37    237.164  2206.00    402.492  60.005  3.6667  63.246  5.9454  -3.240841      6.985183  
1 1 1 -21 25  8  o 199.859 3.9076  21729.87   845.877  21834.94   976.421  21413.84   1693.39  200.193 4.5032  197.011 7.9359  3.181335       9.124520  
1 1 1 -21 25  9  o 145.574 3.2365  11515.46   510.305  11143.67   588.307  12645.30   1025.56  143.113 3.7954  151.851 6.2355  -8.738007      7.299750  
1 1 1 -21 25  10 o 91.356  2.9319  4533.72    290.107  4354.75    334.826  5072.70    581.052  89.482  3.4547  96.085  5.6076  -6.603157      6.586410  
1 1 1 -21 25  11 o 85.460  2.6492  3966.10    245.213  3876.01    306.772  4125.52    408.084  84.414  3.3553  86.961  4.3327  -2.546852      5.479970  
1 1 1 -21 25  12 o 26.237  6.0646  393.508    168.891  272.305    194.631  762.978    339.817  22.369  7.1287  36.243  8.7549  -13.87378      11.29008  
1 1 1 -21 25  13 o 90.596  3.1416  4465.46    308.274  4316.17    361.618  4862.48    589.713  88.981  3.7522  93.838  5.8310  -4.856720      6.933947  
1 1 1 -21 25  14 o 101.803 2.9841  5638.17    329.038  5418.65    400.125  6096.69    578.277  99.679  3.7061  105.414 5.0649  -5.734238      6.276005  
1 1 1 -21 25  15 o 44.678  1.8043  1083.02    87.311   761.076    222.651  1141.53    94.913   36.718  5.7905  45.864  1.9107  -9.146030      6.097556  
1 1 1 -21 25  16 o 70.924  3.5103  2745.50    269.654  2620.82    315.439  3083.91    519.694  69.046  4.2385  74.196  6.5335  -5.149979      7.787924  
1 1 1 -21 25  17 o 14.677  6.5130  -63.3898   206.451  -92.6692   248.332  2.1305     371.484  15.806  7.0699  20.937  9.0226  -5.130840      11.46263  
1 1 1 -21 25  18 o 47.168  4.2520  1231.56    214.891  1141.87    286.501  1346.91    324.916  44.907  6.0439  48.745  6.3017  -3.838951      8.731524  
1 1 1 -21 25  19 o 53.583  4.1422  1587.90    238.528  1730.78    292.746  1305.69    411.433  55.731  4.8996  47.050  8.3808  8.680351       9.707922  
1 1 1 -21 25  20 o 20.459  7.1895  216.375    197.418  195.071    243.914  256.837    336.150  20.862  7.8855  23.976  9.2104  -3.114468      12.12490  
1 1 1 -21 25  21 o 75.992  3.5004  3171.32    288.111  3262.81    447.527  3106.55    376.513  76.151  5.4622  74.671  4.6791  1.480644       7.192297  
1 1 1 -21 25  22 o 14.254  6.4048  -77.9470   206.286  -324.9151  327.665  84.210     265.508  15.569  7.3614  18.955  7.8678  -3.385726      10.77460  
1 1 1 -21 25  23 o 70.977  3.8813  2800.15    297.249  3099.41    458.448  2583.10    390.440  73.548  5.8022  67.360  5.3969  6.187782       7.924136  
1 1 1 -21 25  24 o 55.654  4.5772  1759.55    273.463  1836.62    427.729  1706.28    355.642  54.929  7.3759  53.766  6.2221  1.163136       9.649753  
1 1 1 -21 25  25 o 30.861  8.6852  635.744    302.567  524.209    400.902  783.348    461.192  27.902  10.191  32.652  11.006  -4.750460      14.99921  
1 1 1 -21 25  26 o 18.779  8.4588  -22.4110   362.403  -22.4110   362.403  0.0000     0.0000   18.779  8.4588  ?       ?       0.000000       8.458821  
1 1 1 -21 25  27 o 19.029  8.7052  -45.0932   402.474  -45.0932   402.474  0.0000     0.0000   19.029  8.7052  ?       ?       0.000000       8.705168  
1 1 1 -21 25  28 o 42.320  11.073  1439.77    513.384  1439.77    513.384  0.0000     0.0000   42.320  11.073  ?       ?       0.000000       11.07265  
1 1 1 -21 25  29 o 26.002  11.750  479.398    706.023  479.398    706.023  0.0000     0.0000   26.002  11.750  ?       ?       0.000000       11.75046  
1 1 1 -21 26  1  o 257.362 4.7179  36063.98   1315.11  36277.14   1516.49  35417.47   2641.03  257.897 5.4291  252.891 9.6420  5.005417       11.06543  
1 1 1 -21 26  2  o 235.822 4.3991  30257.53   1123.63  30300.12   1295.15  30127.90   2259.36  235.808 5.0710  233.628 8.9288  2.179764       10.26828  
1 1 1 -21 26  3  o 155.918 3.3665  13201.64   568.513  13495.81   654.017  12292.10   1150.02  157.582 3.8319  149.746 7.0905  7.835373       8.059719  
1 1 1 -21 26  4  o 19.818  1.3566  213.789    28.944   235.940    135.845  212.736    29.624   20.531  5.8342  19.766  1.3926  0.7645664      5.998135  
1 1 1 -21 26  5  o 24.170  5.0538  330.239    128.048  384.456    143.088  112.253    286.913  26.094  5.2447  20.735  8.3393  5.359819       9.851389  
1 1 1 -21 26  6  o 66.696  3.4388  2423.02    247.572  2537.39    302.968  2193.19    429.502  68.172  4.1226  62.982  6.3844  5.189365       7.599763  
1 1 1 -21 26  7  o 93.886  3.3307  4788.70    338.690  5019.04    415.249  4330.94    585.390  96.051  3.9915  88.747  6.1276  7.304192       7.312994  
1 1 1 -21 26  8  o 102.880 2.9042  5746.95    323.614  5700.82    373.008  5887.35    650.746  102.421 3.3625  103.563 5.8251  -1.142174      6.725916  
1 1 1 -21 26  9  o 49.414  3.5067  1334.37    186.463  1432.13    216.715  1055.71    365.896  51.142  3.9428  43.006  8.1536  8.135857       9.056882  
1 1 1 -21 26  10 o 148.394 3.2868  11972.96   528.278  11896.27   608.768  12206.81   1063.05  147.818 3.8024  148.944 6.5896  -1.126038      7.607953  
1 1 1 -21 26  11 o 37.678  4.5215  785.977    180.835  685.356    211.730  1057.29    347.671  34.891  5.8068  43.057  7.7396  -8.166229      9.675823  
1 1 1 -21 26  12 o 95.423  3.1457  4952.57    325.112  4835.57    380.751  5267.44    624.632  94.206  3.7316  97.698  5.9310  -3.492531      7.007256  
1 1 1 -21 26  13 o 66.046  2.5264  2369.47    180.727  2197.37    275.171  2500.03    239.664  63.329  4.0327  67.772  3.2650  -4.443768      5.188738  
1 1 1 -21 26  14 o 95.762  3.1431  4991.94    326.004  5004.65    378.769  4955.60    640.326  95.798  3.6505  94.487  6.2929  1.310379       7.275030  
1 1 1 -21 26  15 o 109.801 3.1109  6566.12    369.961  6025.88    426.500  8208.17    743.567  105.053 3.7484  121.985 5.6279  -16.93181      6.761890  
1 1 1 -21 26  16 o 49.558  2.2948  1334.55    123.176  1299.06    274.816  1343.47    137.793  48.255  5.3480  49.636  2.5719  -1.380726      5.934306  
1 1 1 -21 26  17 o 85.754  3.2450  4012.37    301.402  4072.52    348.837  3835.18    598.662  86.291  3.7324  82.573  6.7529  3.717789       7.715713  
1 1 1 -21 26  18 o 79.832  3.3751  3483.16    291.831  3729.04    350.482  2927.30    526.971  82.470  3.9238  71.882  6.8515  10.58729       7.895470  
1 1 1 -21 26  19 o 38.105  5.4508  822.660    218.552  734.006    270.796  988.294    370.141  35.373  7.3098  40.667  8.6684  -5.294075      11.33902  
1 1 1 -21 26  20 o 56.576  4.1213  1772.62    250.808  1981.45    309.530  1373.38    427.976  59.590  4.8375  48.012  8.5431  11.57811       9.817618  
1 1 1 -21 26  21 o 32.421  6.4282  614.751    217.752  960.601    370.047  431.564    269.315  39.699  8.8339  27.006  8.3550  12.69256       12.15907  
1 1 1 -21 26  22 o 70.326  3.5834  2730.15    272.045  2997.58    420.918  2538.30    356.514  72.856  5.3720  67.235  4.9300  5.621124       7.291286  
1 1 1 -21 26  23 o 31.671  7.0268  605.789    234.737  859.538    359.961  418.038    309.632  36.808  9.0843  26.440  9.0174  10.36787       12.79995  
1 1 1 -21 26  24 o 20.429  1.8516  229.489    40.526   712.910    358.857  223.244    40.787   32.638  9.5463  20.140  1.8919  12.49759       9.732014  
1 1 1 -21 26  25 o 24.516  1.7897  329.828    47.194   331.953    47.452   136.004    453.233  24.595  1.7937  22.513  9.8312  2.081966       9.993510  
1 1 1 -21 26  26 o 28.577  10.371  584.254    414.253  584.254    414.253  0.0000     0.0000   28.577  10.371  ?       ?       0.000000       10.37072  
1 1 1 -21 26  27 o 32.918  11.325  884.918    488.630  884.918    488.630  0.0000     0.0000   32.918  11.325  ?       ?       0.000000       11.32523  
1 1 1 -21 26  28 o 29.489  10.902  716.995    460.947  716.995    460.947  0.0000     0.0000   29.489  10.902  ?       ?       0.000000       10.90164  
1 1 1 -21 26  29 o 28.905  13.051  846.336    868.917  846.336    868.917  0.0000     0.0000   28.905  13.051  ?       ?       0.000000       13.05142  
1 1 1 -21 27  1  o 174.910 3.5967  16621.95   681.370  17290.12   783.905  14557.26   1378.01  178.311 4.0590  162.704 7.8196  15.60751       8.810269  
1 1 1 -21 27  2  o 252.498 4.6842  34716.34   1281.03  35354.45   1477.16  32780.68   2572.75  254.594 5.3569  243.143 9.7694  11.45087       11.14166  
1 1 1 -21 27  3  o 100.456 2.8400  5476.08    309.008  5560.13    352.227  5195.24    643.838  101.195 3.2136  97.296  6.1411  3.898674       6.931097  
1 1 1 -21 27  4  o 189.730 3.7450  19564.65   769.592  19806.64   886.492  18824.33   1550.55  190.794 4.2898  185.027 7.7372  5.767029       8.846833  
1 1 1 -21 27  5  o 112.886 2.8849  6916.41    352.729  6892.47    404.073  6993.08    723.047  112.651 3.3117  112.957 5.9307  -0.3059387     6.792693  
1 1 1 -21 27  6  o 92.865  3.3149  4684.64    333.423  4637.38    407.124  4780.91    581.048  92.323  4.0714  93.349  5.7752  -1.026321      7.066088  
1 1 1 -21 27  7  o 43.598  4.1947  1044.18    195.633  989.531    240.737  1150.43    335.701  42.231  5.3857  45.235  7.0844  -3.003925      8.899163  
1 1 1 -21 27  8  o 118.004 3.0075  7563.05    384.390  7298.27    440.643  8406.02    786.226  115.859 3.5114  123.906 5.8585  -8.046928      6.830214  
1 1 1 -21 27  9  o 98.640  2.7842  5283.50    297.452  5750.53    358.652  4254.40    532.388  102.861 3.2192  87.977  5.6164  14.88328       6.473611  
1 1 1 -21 27  10 o 111.250 3.0321  6726.02    365.359  6906.82    423.932  6204.00    720.358  112.674 3.4738  106.055 6.2994  6.618736       7.193748  
1 1 1 -21 27  11 o 43.953  3.6765  1059.28    173.414  1077.30    201.225  1007.26    341.866  44.237  4.2521  41.973  7.8073  2.264027       8.890134  
1 1 1 -21 27  12 o 91.474  2.7728  4547.19    274.721  4423.78    341.508  4773.51    462.459  90.133  3.4982  93.447  4.5692  -3.314133      5.754577  
1 1 1 -21 27  13 o 54.424  3.5569  1620.63    208.512  1615.06    241.432  1636.99    413.639  54.231  4.1417  53.843  7.2795  0.3874474      8.375192  
1 1 1 -21 27  14 o 84.248  3.2111  3865.05    293.011  3803.83    345.680  4021.31    552.248  83.483  3.8230  85.146  6.0272  -1.663605      7.137379  
1 1 1 -21 27  15 o 69.973  3.5307  2678.10    266.724  2636.71    311.001  2793.20    518.647  69.295  4.1630  70.515  6.8783  -1.219872      8.040024  
1 1 1 -21 27  16 o 52.011  4.1025  1489.99    229.232  1542.86    266.589  1339.99    449.027  52.793  4.7117  47.818  9.0002  4.975609       10.15892  
1 1 1 -21 27  17 o 124.681 3.2801  8484.18    442.953  8112.60    514.241  9552.61    871.999  121.725 3.9005  131.033 6.1442  -9.308365      7.277681  
1 1 1 -21 27  18 o 164.389 3.5924  14790.44   639.622  14044.54   741.112  16968.12   1266.31  159.838 4.2809  173.799 6.7270  -13.96162      7.973608  
1 1 1 -21 27  19 o 26.188  7.0350  401.924    203.786  354.089    251.746  492.853    347.088  25.017  8.1215  29.158  9.5396  -4.141315      12.52844  
1 1 1 -21 27  20 o 70.099  3.6818  2706.21    278.561  2545.36    338.067  3046.36    491.623  67.645  4.6423  73.272  6.2546  -5.627525      7.789197  
1 1 1 -21 27  21 o 27.480  6.9830  448.209    208.270  641.100    337.828  329.951    264.518  32.327  9.2053  24.339  8.3345  7.987629       12.41779  
1 1 1 -21 27  22 o 33.643  6.3267  663.799    222.076  368.240    374.516  824.076    275.794  26.308  9.8065  37.254  7.0941  -10.94661      12.10343  
1 1 1 -21 27  23 o 65.950  3.8534  2421.54    274.052  2841.44    420.802  2112.27    361.139  70.449  5.5600  60.690  5.5556  9.758938       7.859967  
1 1 1 -21 27  24 o 49.768  4.8549  1421.68    258.362  1414.67    392.880  1427.03    342.946  47.571  7.9025  48.690  6.6790  -1.119526      10.34685  
1 1 1 -21 27  25 o 67.690  5.1370  2659.16    373.815  3199.15    496.387  1951.73    568.160  73.040  6.3374  53.011  10.266  20.02893       12.06480  
1 1 1 -21 27  26 o 38.710  11.074  1144.26    487.714  1144.26    487.714  0.0000     0.0000   38.710  11.074  ?       ?       0.000000       11.07352  
1 1 1 -21 27  27 o 44.300  10.086  1440.21    473.069  1440.21    473.069  0.0000     0.0000   44.300  10.086  ?       ?       0.000000       10.08559  
1 1 1 -21 27  28 o 22.136  9.8658  186.114    478.989  186.114    478.989  0.0000     0.0000   22.136  9.8658  ?       ?       0.000000       9.865787  
1 1 1 -21 27  29 o 21.117  10.168  -231.2626  687.922  -231.2626  687.922  0.0000     0.0000   21.117  10.168  ?       ?       0.000000       10.16796  
1 1 1 -21 28  1  o 253.459 4.6992  34991.63   1290.05  35403.67   1487.31  33739.97   2592.22  254.715 5.3911  246.576 9.7062  8.139130       11.10292  
1 1 1 -21 28  2  o 140.878 3.1306  10775.40   477.688  10609.71   547.493  11303.71   977.640  139.731 3.6176  143.738 6.2797  -4.007278      7.247122  
1 1 1 -21 28  3  o 14.413  5.3665  86.245     112.093  145.382    121.742  -243.0895  287.297  16.851  5.6548  15.494  7.1832  1.357586       9.141895  
1 1 1 -21 28  4  o 111.118 2.8685  6701.40    345.230  6791.17    399.005  6434.09    688.556  111.820 3.2945  108.340 5.8900  3.480110       6.748751  
1 1 1 -21 28  5  o 140.048 3.1741  10651.49   481.475  10891.94   553.264  9901.09    977.380  141.562 3.6084  134.374 6.7155  7.188675       7.623565  
1 1 1 -21 28  6  o 95.991  3.1502  5004.50    327.523  5496.87    419.552  4236.29    524.062  100.530 3.8532  87.883  5.5339  12.64740       6.743225  
1 1 1 -21 28  7  o 101.342 3.3520  5581.28    367.925  5476.41    449.636  5793.79    640.058  100.293 4.1392  102.743 5.7751  -2.450035      7.105302  
1 1 1 -21 28  8  o 85.001  2.8289  3923.19    260.446  3839.95    299.475  4181.57    527.619  84.055  3.2895  87.241  5.6136  -3.185989      6.506407  
1 1 1 -21 28  9  o 107.937 2.9462  6329.16    344.435  6355.14    395.482  6247.59    700.899  108.105 3.3776  106.525 6.1002  1.580574       6.972864  
1 1 1 -21 28  10 o 47.489  1.8814  1222.99    96.768   898.607    197.848  1324.99    110.944  40.311  4.6147  49.422  2.0726  -9.111614      5.058720  
1 1 1 -21 28  11 o 71.300  2.9704  2763.40    229.391  2771.45    264.888  2739.27    458.727  71.360  3.4272  70.320  6.0828  1.039566       6.981834  
1 1 1 -21 28  12 o 128.611 3.1548  8998.68    439.458  8630.73    506.538  10118.47   883.669  125.843 3.7163  135.566 6.0182  -9.723106      7.073182  
1 1 1 -21 28  13 o 114.401 3.0902  7121.10    382.904  7114.81    442.907  7139.70    761.857  114.258 3.5789  113.578 6.2167  0.6802063      7.173294  
1 1 1 -21 28  14 o 106.835 3.1055  6213.80    359.342  6192.50    418.796  6273.25    699.671  106.549 3.6290  106.384 6.0976  0.1646805      7.095804  
1 1 1 -21 28  15 o 57.430  4.0345  1812.56    249.365  1709.68    294.247  2074.75    469.748  55.563  4.9410  60.516  7.3153  -4.952675      8.827636  
1 1 1 -21 28  16 o 15.487  6.5409  18.260     188.412  57.197     218.306  -95.4207   373.021  17.339  7.1604  19.744  8.7583  -2.405352      11.31277  
1 1 1 -21 28  17 o 53.229  4.1487  1563.11    237.292  1582.12    276.845  1510.46    460.673  53.379  4.8412  50.807  8.6833  2.571434       9.941682  
1 1 1 -21 28  18 o 108.209 3.2567  6397.46    381.695  6445.82    445.448  6263.88    740.411  108.447 3.7924  105.511 6.5108  2.936325       7.534731  
1 1 1 -21 28  19 o 57.327  3.8961  1813.29    240.479  1823.89    289.078  1789.47    433.333  57.255  4.7031  55.662  7.3689  1.593777       8.741874  
1 1 1 -21 28  20 o 80.116  3.5089  3521.92    304.484  3370.84    366.709  3857.29    546.358  77.989  4.3587  82.531  6.1564  -4.542542      7.543170  
1 1 1 -21 28  21 o 47.758  2.2792  1242.74    117.898  1424.47    331.536  1216.43    126.144  49.805  6.2859  47.160  2.4783  2.645203       6.756773  
1 1 1 -21 28  22 o 57.458  4.1308  1838.81    255.357  2056.03    415.646  1707.12    323.637  59.579  6.5492  54.753  5.5332  4.825394       8.573705  
1 1 1 -21 28  23 o 14.365  6.4261  -59.3376   205.230  338.408    359.705  -251.3058  249.896  25.095  9.5543  13.539  6.4097  11.55611       11.50515  
1 1 1 -21 28  24 o 30.687  7.6291  596.890    252.484  660.425    423.222  561.783    314.599  30.897  10.542  29.174  9.0309  1.722980       13.88165  
1 1 1 -21 28  25 o 45.610  7.2090  1294.51    344.290  1722.94    479.476  838.469    494.680  51.006  9.0085  33.332  11.398  17.67403       14.52789  
1 1 1 -21 28  26 o 57.159  7.9862  2110.54    480.918  2110.54    480.918  0.0000     0.0000   57.159  7.9862  ?       ?       0.000000       7.986245  
1 1 1 -21 28  27 o 54.477  8.5755  2008.85    489.268  2008.85    489.268  0.0000     0.0000   54.477  8.5755  ?       ?       0.000000       8.575499  
1 1 1 -21 28  28 o 59.752  2.9127  1993.64    188.499  1993.64    188.499  0.0000     0.0000   59.752  2.9127  ?       ?       0.000000       2.912659  
1 1 1 -21 29  1  o 84.764  2.7249  3898.97    250.171  3973.74    282.548  3627.64    538.224  85.551  3.0493  81.195  6.1662  4.356232       6.879005  
1 1 1 -21 29  2  o 129.001 3.0194  9034.55    421.870  8992.17    482.801  9171.38    867.525  128.648 3.4649  129.462 6.1869  -0.8139038     7.091064  
1 1 1 -21 29  3  o 102.223 2.8469  5671.59    315.206  5822.61    359.204  5165.93    657.288  103.545 3.2029  96.944  6.2939  6.600143       7.061980  
1 1 1 -21 29  4  o 189.942 3.7602  19615.64   773.574  19919.60   890.857  18683.88   1559.76  191.291 4.2997  184.169 7.8194  7.122833       8.923608  
1 1 1 -21 29  5  o 71.067  2.4015  2739.68    184.847  2844.31    241.796  2592.53    286.737  72.372  3.0847  68.934  3.8559  3.437225       4.937920  
1 1 1 -21 29  6  o 169.904 3.5469  15693.35   652.708  16212.88   752.224  14110.30   1313.08  172.599 4.0238  160.018 7.5762  12.58035       8.578470  
1 1 1 -21 29  7  o 43.175  4.3516  1025.78    200.721  996.124    250.921  1078.48    334.487  42.315  5.6135  43.686  7.3288  -1.370892      9.231545  
1 1 1 -21 29  8  o 10.131  4.7303  -123.2550  128.081  -171.8575  148.701  16.445     252.106  10.500  4.9630  17.851  7.5543  -7.350409      9.038720  
1 1 1 -21 29  9  o 183.830 3.6890  18394.26   734.515  18076.86   846.939  19357.39   1475.35  182.073 4.2947  187.214 7.2759  -5.140945      8.448853  
1 1 1 -21 29  10 o 127.621 3.0862  8854.17    426.603  8835.67    491.549  8910.61    858.729  127.407 3.5621  127.283 6.2290  0.1243896      7.175543  
1 1 1 -21 29  11 o 65.433  2.4855  2324.90    176.150  1941.27    268.652  2614.20    233.300  59.500  4.1956  69.333  3.1068  -9.833107      5.220659  
1 1 1 -21 29  12 o 34.690  5.1444  673.528    187.434  739.889    219.715  496.146    359.216  36.250  5.7909  29.930  9.7001  6.320101       11.29717  
1 1 1 -21 29  13 o 39.567  4.5445  867.593    191.219  824.714    222.704  987.899    373.034  38.354  5.5201  41.226  8.6310  -2.872776      10.24527  
1 1 1 -21 29  14 o 47.553  4.0704  1244.80    207.623  1100.74    244.083  1621.84    394.889  44.466  5.1642  53.585  6.9688  -9.119324      8.673732  
1 1 1 -21 29  15 o 86.517  3.3015  4081.13    309.372  4036.94    363.823  4196.50    587.889  85.931  3.9091  86.751  6.2997  -0.8203506     7.414000  
1 1 1 -21 29  16 f 32.666  5.8818  608.280    200.448  552.102    230.258  784.084    407.330  30.830  7.0490  36.234  10.035  -5.403748      12.26348  
1 1 1 -21 29  17 o 77.000  3.3989  3239.17    283.462  3228.16    330.106  3270.08    553.119  76.643  3.9904  76.114  6.7804  0.5285187      7.867457  
1 1 1 -21 29  18 o 97.439  3.2987  5189.85    348.138  4691.19    406.056  6573.43    676.376  92.421  4.0564  108.487 5.7771  -16.06564      7.059000  
1 1 1 -21 29  19 o 71.178  3.6580  2786.08    281.052  2761.79    335.486  2843.26    514.692  70.625  4.4078  70.612  6.8144  0.1256561E-01  8.115700  
1 1 1 -21 29  20 o 55.420  4.2920  1706.33    255.621  1866.98    318.397  1415.01    428.753  57.675  5.1512  48.714  8.4314  8.961090       9.880446  
1 1 1 -21 29  21 o 27.663  7.5086  457.219    230.734  520.648    303.878  370.865    354.568  29.354  8.8350  26.303  9.5871  3.050972       13.03721  
1 1 1 -21 29  22 o 46.443  4.7003  1215.70    233.179  1432.22    370.477  1073.67    300.071  49.272  7.1510  42.772  6.6971  6.500008       9.797360  
1 1 1 -21 29  23 o 28.893  1.6622  455.855    51.798   823.624    409.758  449.882    52.217   35.162  10.177  28.699  1.6873  6.462690       10.31593  
1 1 1 -21 29  24 o 36.443  6.5634  808.379    249.539  832.276    425.102  795.816    308.232  34.307  10.478  35.085  8.2499  -0.7782440     13.33572  
1 1 1 -21 29  25 o 35.613  10.544  921.495    435.446  921.495    435.446  0.0000     0.0000   35.613  10.544  ?       ?       0.000000       10.54389  
1 1 1 -21 29  26 o 45.699  9.6877  1464.09    464.624  1464.09    464.624  0.0000     0.0000   45.699  9.6877  ?       ?       0.000000       9.687677  
1 1 1 -21 29  27 o 28.198  10.968  614.875    481.215  614.875    481.215  0.0000     0.0000   28.198  10.968  ?       ?       0.000000       10.96802  
1 1 1 -21 29  28 o 21.986  9.6926  202.292    450.025  202.292    450.025  0.0000     0.0000   21.986  9.6926  ?       ?       0.000000       9.692628  
1 1 1 -21 30  1  o 165.131 3.4380  14817.45   614.895  14967.69   706.509  14348.23   1248.59  165.879 3.9324  161.590 7.1340  4.288483       8.146024  
1 1 1 -21 30  2  o 111.029 2.9183  6692.26    350.947  6944.34    400.540  5859.21    728.144  113.066 3.2707  103.184 6.5492  9.881660       7.320515  
1 1 1 -21 30  3  o 209.900 4.0400  23971.89   918.465  25058.88   1058.14  20650.69   1849.61  214.470 4.5552  193.112 8.8430  21.35812       9.947330  
1 1 1 -21 30  4  o 89.830  2.6023  4378.72    253.193  4389.75    306.274  4354.92    449.989  89.902  3.1454  89.269  4.6703  0.6330185      5.630717  
1 1 1 -21 30  5  o 121.034 3.0008  7955.07    393.384  8003.84    450.565  7798.65    806.849  121.354 3.4279  119.130 6.2753  2.223633       7.150546  
1 1 1 -21 30  6  o 211.794 4.0484  24418.82   928.692  23830.82   1070.41  26208.90   1867.66  209.031 4.7279  217.830 7.9161  -8.798828      9.220480  
1 1 1 -21 30  7  f 27.802  1.1826  418.795    35.611   54.884     288.792  424.414    35.885   19.694  8.1925  27.988  1.1838  -8.294214      8.277616  
1 1 1 -21 30  8  o 28.435  1.2193  438.103    37.552   259.888    164.898  447.851    38.565   21.638  6.5073  28.749  1.2385  -7.111448      6.624070  
1 1 1 -21 30  9  o 29.191  5.0101  478.724    152.697  412.559    178.945  655.950    292.865  26.871  6.2640  33.721  8.1164  -6.849852      10.25252  
1 1 1 -21 30  10 o 85.691  2.9623  3991.03    274.933  4277.00    319.630  3177.66    539.059  88.665  3.3283  75.636  6.6477  13.02940       7.434307  
1 1 1 -21 30  11 o 107.422 2.9762  6274.02    346.283  6179.00    401.885  6547.91    682.316  106.528 3.4831  108.995 5.8006  -2.466690      6.766042  
1 1 1 -21 30  12 o 33.608  5.0085  632.056    176.749  752.806    203.357  259.078    357.401  36.683  5.2696  24.986  9.5211  11.69632       10.88210  
1 1 1 -21 30  13 o 86.812  3.2126  4103.27    302.065  4014.66    355.121  4335.15    574.465  85.774  3.8225  88.440  6.0332  -2.666618      7.142182  
1 1 1 -21 30  14 o 107.186 3.0993  6256.59    359.805  6035.39    425.825  6808.70    672.749  105.142 3.7393  110.980 5.6150  -5.838867      6.746143  
1 1 1 -21 30  15 o 129.917 3.2402  9201.14    455.945  8669.78    530.813  10696.37   890.429  125.926 3.8918  139.012 5.9139  -13.08569      7.079640  
1 1 1 -21 30  16 o 84.742  3.1917  3916.50    292.945  3684.18    336.640  4641.25    594.583  82.073  3.7870  91.238  6.0511  -9.165482      7.138460  
1 1 1 -21 30  17 o 52.675  4.3093  1534.09    243.709  1455.12    287.416  1736.14    459.733  51.031  5.2763  54.792  7.9813  -3.760883      9.567619  
1 1 1 -21 30  18 o 40.069  5.3165  905.394    225.033  1129.45    265.266  330.222    425.013  44.736  5.5971  26.938  10.355  17.79863       11.77047  
1 1 1 -21 30  19 o 66.177  2.7918  2389.81    200.106  2528.12    335.283  2313.28    249.394  67.476  4.6154  64.860  3.5637  2.615753       5.831098  
1 1 1 -21 30  20 o 40.380  5.1323  921.883    219.393  1029.17    268.616  706.903    380.237  42.381  6.0210  33.857  9.8048  8.524849       11.50599  
1 1 1 -21 30  21 o 77.589  3.6502  3313.04    306.755  3412.87    375.300  3112.09    532.444  78.334  4.4417  73.530  6.7613  4.803185       8.089740  
1 1 1 -21 30  22 o 21.218  7.4499  243.747    211.954  491.033    365.161  118.102    260.289  28.550  9.7922  19.345  7.8840  9.204809       12.57156  
1 1 1 -21 30  23 o 34.322  1.9308  644.428    71.486   567.717    412.194  646.807    72.586   29.680  10.391  34.381  1.9573  -4.700790      10.57362  
1 1 1 -21 30  24 o 36.231  6.3029  793.696    238.360  1101.20    424.849  652.439    287.949  40.062  9.8582  31.638  8.2997  8.424437       12.88674  
1 1 1 -21 30  25 o 29.572  10.603  621.787    431.450  621.787    431.450  0.0000     0.0000   29.572  10.603  ?       ?       0.000000       10.60347  
1 1 1 -21 30  26 o 39.609  10.974  1197.58    487.033  1197.58    487.033  0.0000     0.0000   39.609  10.974  ?       ?       0.000000       10.97421  
1 1 1 -21 30  27 o 23.884  10.051  331.147    442.205  331.147    442.205  0.0000     0.0000   23.884  10.051  ?       ?       0.000000       10.05054  
1 1 1 -21 30  28 o 30.012  11.267  769.720    496.097  769.720    496.097  0.0000     0.0000   30.012  11.267  ?       ?       0.000000       11.26699  
1 1 1 -21 31  1  o 108.973 2.8381  6446.69    334.976  6587.39    381.757  5975.85    698.373  110.120 3.2007  104.261 6.2126  5.859016       6.988622  
1 1 1 -21 31  2  o 27.636  3.8305  423.268    111.577  443.465    119.956  293.668    303.865  28.267  4.0324  24.841  8.8995  3.425495       9.770475  
1 1 1 -21 31  3  o 126.241 3.0541  8654.88    417.591  8937.92    472.747  7649.78    890.859  128.245 3.4034  117.779 7.0152  10.46542       7.797232  
1 1 1 -21 31  4  o 96.812  2.7775  5087.79    291.239  5035.17    331.190  5267.27    611.671  96.275  3.1761  97.950  5.7913  -1.675507      6.605063  
1 1 1 -21 31  5  o 95.134  2.8082  4913.52    289.353  5001.73    329.902  4619.40    602.404  95.950  3.1744  91.621  6.1054  4.329437       6.881386  
1 1 1 -21 31  6  o 100.000 2.8642  5430.27    310.222  5481.67    355.821  5267.39    633.392  100.431 3.2711  97.863  6.0047  2.568459       6.837851  
1 1 1 -21 31  7  o 86.396  3.2970  4057.71    308.521  4116.88    375.744  3935.25    540.513  86.946  3.9900  84.520  5.9422  2.426140       7.157479  
1 1 1 -21 31  8  o 57.560  3.6026  1809.93    223.470  1963.19    274.116  1506.21    385.875  59.859  4.2557  51.808  7.0606  8.050697       8.243967  
1 1 1 -21 31  9  o 65.976  3.0049  2365.74    214.730  2401.85    248.802  2260.33    425.115  66.348  3.4743  63.826  6.2289  2.522633       7.132343  
1 1 1 -21 31  10 o 106.217 2.9612  6132.73    340.673  6153.91    394.182  6070.21    677.203  106.334 3.4226  104.910 5.9846  1.423782       6.894145  
1 1 1 -21 31  11 o 77.598  3.0468  3274.72    256.075  3065.65    293.983  3932.18    521.340  75.015  3.6183  84.393  5.7376  -9.378357      6.783205  
1 1 1 -21 31  12 o 77.663  3.0943  3281.66    260.281  3250.02    300.136  3377.62    522.716  77.226  3.5883  78.001  6.2395  -0.7749939     7.197705  
1 1 1 -21 31  13 o ?       ?       -137.1401  22.158   144.128    191.516  -140.9562  22.308   18.582  6.9956  ?       ?       0.000000       6.995650  
1 1 1 -21 31  14 o 87.750  3.0948  4193.81    294.143  4244.29    341.472  4048.64    579.099  88.193  3.5748  85.239  6.3175  2.953979       7.258771  
1 1 1 -21 31  15 o 58.658  2.6633  1871.87    169.207  2493.66    280.977  1518.06    211.949  67.427  3.8635  52.579  3.7463  14.84857       5.381542  
1 1 1 -21 31  16 o 99.748  3.2171  5427.64    347.568  5544.93    402.265  5082.20    690.377  100.705 3.6880  95.142  6.7432  5.563210       7.685843  
1 1 1 -21 31  17 o 125.585 3.3326  8616.81    453.312  8360.76    527.462  9340.29    886.638  123.488 3.9436  129.277 6.3322  -5.789032      7.459829  
1 1 1 -21 31  18 o 132.881 3.3505  9659.11    482.223  9476.97    559.884  10182.44   949.045  131.373 3.9348  134.576 6.5110  -3.202759      7.607619  
1 1 1 -21 31  19 o 79.906  3.5172  3500.74    304.398  3494.69    358.302  3516.42    577.062  79.535  4.1739  78.493  6.8565  1.041817       8.026995  
1 1 1 -21 31  20 o 72.050  3.5510  2850.96    277.113  2884.73    332.547  2774.23    501.275  72.131  4.2756  69.552  6.7388  2.579720       7.980719  
1 1 1 -21 31  21 o 53.547  4.7406  1607.76    272.098  1671.00    352.409  1514.42    428.171  53.994  6.1349  50.361  8.1263  3.633438       10.18207  
1 1 1 -21 31  22 o 31.043  7.0021  579.720    229.825  698.162    427.076  531.438    272.674  32.921  10.567  29.360  8.2388  3.560778       13.39927  
1 1 1 -21 31  23 o 28.330  7.4351  498.823    231.020  1108.80    436.458  261.416    272.291  40.768  9.9677  22.206  8.3451  18.56180       12.99987  
1 1 1 -21 31  24 o 15.348  7.0566  -126.6972  269.081  401.807    437.152  -449.0814  341.425  26.108  10.363  14.487  7.0212  11.62179       12.51740  
1 1 1 -21 31  25 o 22.198  9.7345  127.426    448.522  127.426    448.522  0.0000     0.0000   22.198  9.7345  ?       ?       0.000000       9.734480  
1 1 1 -21 31  26 o 29.133  10.678  633.159    440.707  633.159    440.707  0.0000     0.0000   29.133  10.678  ?       ?       0.000000       10.67771  
1 1 1 -21 31  27 o 20.427  9.3629  0.3693     468.728  0.3693     468.728  0.0000     0.0000   20.427  9.3629  ?       ?       0.000000       9.362904  
1 1 1 -21 31  28 o 18.866  8.7909  -95.5832   438.847  -95.5832   438.847  0.0000     0.0000   18.866  8.7909  ?       ?       0.000000       8.790922  
1 1 1 -21 32  1  o 97.712  2.6881  5182.32    284.485  4962.20    322.492  5954.57    604.038  95.577  3.1153  104.251 5.3677  -8.673958      6.206261  
1 1 1 -21 32  2  f 78.334  2.4452  3329.29    207.460  3310.81    258.695  3362.59    347.272  78.075  3.0592  78.486  4.0994  -0.4114151     5.115035  
1 1 1 -21 32  3  o 97.423  2.8152  5152.89    297.057  5253.86    337.742  4807.91    624.292  98.340  3.1709  93.460  6.2025  4.880714       6.966062  
1 1 1 -21 32  4  o 83.622  2.5593  3794.86    231.796  4103.54    285.844  3202.07    396.125  86.920  3.0363  76.464  4.8075  10.45594       5.686079  
1 1 1 -21 32  5  o 216.095 4.0736  25427.67   953.438  25219.07   1098.49  26064.81   1919.77  215.006 4.7171  217.002 8.1680  -1.996078      9.432226  
1 1 1 -21 32  6  o 118.650 2.9620  7647.14    380.642  7632.23    436.759  7694.25    776.239  118.477 3.4036  118.289 6.0793  0.1875916      6.967195  
1 1 1 -21 32  7  o 74.538  3.3169  3020.92    267.781  3146.04    325.811  2760.45    470.084  75.897  3.9772  70.639  6.2071  5.258141       7.372003  
1 1 1 -21 32  8  o 114.665 3.4397  7152.83    427.185  7243.30    520.558  6966.26    747.531  115.265 4.1697  112.436 6.1619  2.829285       7.440084  
1 1 1 -21 32  9  o 152.685 3.3264  12682.40   550.097  12552.96   636.074  13066.49   1095.68  151.783 3.8691  153.975 6.5700  -2.191269      7.624611  
1 1 1 -21 32  10 o 82.190  2.9172  3671.91    259.689  3721.72    299.360  3520.43    522.023  82.697  3.3422  79.759  6.0888  2.937836       6.945776  
1 1 1 -21 32  11 o 47.674  3.8653  1247.35    197.871  1179.19    227.352  1460.23    401.796  46.214  4.6034  50.755  7.5380  -4.540802      8.832472  
1 1 1 -21 32  12 f 108.803 3.0595  6441.17    360.549  6213.84    430.450  6975.62    660.019  106.745 3.7231  112.666 5.4087  -5.921059      6.566221  
1 1 1 -21 32  13 o 145.948 3.2834  11604.12   519.021  11507.40   599.760  11892.56   1035.73  145.188 3.8140  146.476 6.5284  -1.287766      7.560882  
1 1 1 -21 32  14 o 40.605  4.6160  915.600    199.403  688.769    233.323  1530.07    384.021  34.710  6.4435  51.962  7.0016  -17.25201      9.515368  
1 1 1 -21 32  15 o 107.792 3.1377  6333.10    366.332  6734.25    426.872  5212.05    713.604  111.054 3.5489  96.393  6.8802  14.66071       7.741570  
1 1 1 -21 32  16 o 68.859  2.7062  2581.52    201.835  2435.56    314.896  2683.29    262.951  66.455  4.3998  70.084  3.4640  -3.629097      5.599796  
1 1 1 -21 32  17 o 123.066 3.2392  8271.97    431.758  8014.64    498.784  9041.06    862.308  120.942 3.8077  127.197 6.2592  -6.255295      7.326381  
1 1 1 -21 32  18 o 51.167  2.0907  1423.49    115.867  1039.29    261.774  1517.10    129.214  42.803  5.7956  52.805  2.2593  -10.00230      6.220419  
1 1 1 -21 32  19 o 43.809  4.9002  1077.17    228.531  986.355    266.626  1328.60    443.649  41.496  6.1157  46.964  9.0499  -5.468342      10.92261  
1 1 1 -21 32  20 o 59.474  4.1669  1962.18    266.721  1916.14    323.795  2059.36    470.430  58.397  5.1728  59.440  7.4722  -1.043495      9.088012  
1 1 1 -21 32  21 o 60.783  4.1983  2055.26    274.694  2096.39    343.534  1982.34    457.428  60.940  5.2561  58.095  7.4407  2.845173       9.109936  
1 1 1 -21 32  22 o 30.357  7.1667  558.390    231.860  395.045    427.009  626.686    276.109  27.078  10.386  31.859  8.0101  -4.780985      13.11589  
1 1 1 -21 32  23 o 65.582  4.0907  2417.44    289.126  1809.62    493.983  2734.16    356.585  53.277  8.8726  69.308  4.7794  -16.03101      10.07800  
1 1 1 -21 32  24 o 69.342  3.2523  2670.58    244.261  2827.06    512.507  2624.59    277.846  68.033  7.0579  68.359  3.7672  -0.3257904     8.000352  
1 1 1 -21 32  25 o 34.886  10.647  898.894    439.056  898.894    439.056  0.0000     0.0000   34.886  10.647  ?       ?       0.000000       10.64678  
1 1 1 -21 32  26 o 19.370  8.8935  -64.0305   425.323  -64.0305   425.323  0.0000     0.0000   19.370  8.8935  ?       ?       0.000000       8.893476  
1 1 1 -21 32  27 o 29.644  11.080  713.739    478.734  713.739    478.734  0.0000     0.0000   29.644  11.080  ?       ?       0.000000       11.07995  
1 1 1 -21 32  28 o 19.219  1.6506  203.450    34.025   203.450    34.025   0.0000     0.0000   19.219  1.6506  ?       ?       0.000000       1.650605  
1 1 1 -21 33  1  o 35.139  1.9551  671.586    74.114   855.888    140.621  600.700    87.209   39.546  3.3136  33.183  2.4437  6.363010       4.117240  
1 1 1 -21 33  2  o 52.785  2.7887  1516.96    158.871  1566.56    175.325  1289.28    375.626  53.619  3.0314  47.812  7.5003  5.806831       8.089773  
1 1 1 -21 33  3  o 59.104  2.6041  1896.03    166.701  2259.12    255.810  1628.03    219.774  64.340  3.6862  54.577  3.7405  9.762714       5.251595  
1 1 1 -21 33  4  o 34.453  3.4647  651.850    127.535  678.843    138.877  506.545    322.213  35.132  3.7056  30.038  9.1104  5.093588       9.835192  
1 1 1 -21 33  5  o 60.441  2.7961  1983.73    183.042  2125.89    205.397  1435.23    403.455  62.554  3.0316  50.443  7.6222  12.11093       8.202925  
1 1 1 -21 33  6  o 148.791 3.3350  12037.50   537.464  12138.75   598.356  11614.59   1222.85  149.347 3.6991  144.654 7.8342  4.692825       8.663614  
1 1 1 -21 33  7  o 100.704 3.1939  5513.18    348.369  5573.35    441.795  5414.26    566.458  101.136 4.0332  99.329  5.2843  1.807091       6.647552  
1 1 1 -21 33  8  o 117.102 3.4128  7460.65    432.857  7687.68    531.142  7011.70    746.920  118.743 4.1298  112.785 6.1375  5.958427       7.397583  
1 1 1 -21 33  9  o 78.829  2.9599  3377.64    252.714  3563.76    295.103  2865.77    489.390  80.927  3.3667  71.868  6.3525  9.059624       7.189525  
1 1 1 -21 33  10 o 159.460 3.4160  13842.48   589.984  14052.52   680.177  13204.28   1185.62  160.535 3.9118  154.417 7.0890  6.118820       8.096659  
1 1 1 -21 33  11 o 215.142 4.0910  25266.11   953.290  25233.16   1099.58  25365.80   1912.77  214.717 4.7281  212.966 8.2924  1.751343       9.545651  
1 1 1 -21 33  12 o 66.269  3.2529  2391.27    233.483  2199.93    268.599  2982.89    472.303  63.364  3.9332  73.305  6.0012  -9.941475      7.175289  
1 1 1 -21 33  13 o 102.854 3.0718  5759.91    342.201  5762.41    395.955  5752.53    680.218  102.782 3.5568  101.776 6.2002  1.005966       7.147969  
1 1 1 -21 33  14 o 51.015  4.1899  1433.90    229.466  1441.79    275.843  1416.19    413.475  50.957  5.0650  49.629  7.9612  1.327972       9.435886  
1 1 1 -21 33  15 o 97.446  3.1620  5177.02    333.736  5039.78    390.485  5548.97    642.827  96.014  3.7549  99.869  5.9702  -3.854591      7.052814  
1 1 1 -21 33  16 o 140.419 3.3287  10766.55   506.256  9941.55    586.711  13171.08   1001.64  134.678 4.0222  153.888 6.0095  -19.21004      7.231314  
1 1 1 -21 33  17 o 50.138  4.4534  1394.27    239.324  1491.96    281.392  1138.82    455.009  51.697  5.0916  43.354  9.9065  8.342735       11.13836  
1 1 1 -21 33  18 o 20.069  7.3349  192.872    207.751  138.572    244.584  333.538    393.659  19.674  7.7695  26.446  10.013  -6.772091      12.67351  
1 1 1 -21 33  19 o 64.694  3.9045  2310.79    272.307  2154.28    323.178  2693.89    505.629  62.137  4.8401  68.540  6.9051  -6.403149      8.432536  
1 1 1 -21 33  20 o 42.802  5.2290  1036.62    237.369  1149.79    280.313  749.792    446.259  44.852  5.9144  34.643  10.761  10.20976       12.27935  
1 1 1 -21 33  21 o 66.032  4.1138  2423.15    292.751  2580.64    371.457  2164.97    475.609  67.694  5.1038  60.714  7.3847  6.980186       8.976783  
1 1 1 -21 33  22 o 68.358  3.8425  2599.95    283.340  2707.70    461.310  2534.68    359.046  68.262  6.3109  66.884  4.9923  1.377525       8.046732  
1 1 1 -21 33  23 o 35.625  6.3470  762.774    235.921  957.682    416.660  670.798    286.224  37.488  10.054  32.388  8.1623  5.100067       12.95053  
1 1 1 -21 33  24 o 18.973  7.8990  118.805    268.769  620.797    410.257  -258.6380  355.740  29.884  10.372  16.408  7.7311  13.47589       12.93618  
1 1 1 -21 33  25 o 29.952  10.948  659.373    462.810  659.373    462.810  0.0000     0.0000   29.952  10.948  ?       ?       0.000000       10.94763  
1 1 1 -21 33  26 o 25.694  10.515  425.776    465.450  425.776    465.450  0.0000     0.0000   25.694  10.515  ?       ?       0.000000       10.51516  
1 1 1 -21 33  27 o 29.039  1.9021  464.261    59.495   464.261    59.495   0.0000     0.0000   29.039  1.9021  ?       ?       0.000000       1.902103  
1 1 1 -21 33  28 o 23.467  9.7372  343.502    406.453  343.502    406.453  0.0000     0.0000   23.467  9.7372  ?       ?       0.000000       9.737158  
1 1 1 -21 34  1  o 14.851  4.9843  112.930    94.587   153.507    100.530  -200.1490  279.240  16.729  5.0921  15.663  7.1968  1.065670       8.816093  
1 1 1 -21 34  2  f 106.199 2.9126  6125.53    335.020  6419.40    381.482  5134.74    700.461  108.678 3.2409  96.394  6.7517  12.28397       7.489223  
1 1 1 -21 34  3  o 72.428  2.7185  2848.17    213.263  2928.35    239.603  2542.48    467.860  73.419  3.0131  67.738  6.4551  5.681328       7.123651  
1 1 1 -21 34  4  f 127.430 2.9867  8821.55    412.220  8871.73    471.549  8658.91    848.888  127.732 3.4085  125.590 6.2406  2.141243       7.110714  
1 1 1 -21 34  5  o 161.078 3.3850  14109.45   590.560  14472.72   679.023  12981.36   1196.57  163.041 3.8452  153.392 7.2022  9.648941       8.164388  
1 1 1 -21 34  6  o 124.239 2.9751  8386.75    400.344  8091.92    459.004  9324.15    818.450  121.962 3.4747  130.398 5.7950  -8.435425      6.756880  
1 1 1 -21 34  7  o 53.162  3.5429  1544.77    202.832  1656.24    243.513  1292.21    366.543  54.969  4.1201  47.840  7.3057  7.129395       8.387418  
1 1 1 -21 34  8  o 93.057  3.3717  4711.53    339.831  4965.46    417.811  4215.17    584.143  95.434  4.0421  87.322  6.2169  8.112221       7.415375  
1 1 1 -21 34  9  o 82.316  2.6519  3680.73    236.439  3751.39    304.553  3573.53    375.116  83.022  3.3869  80.795  4.3021  2.226723       5.475271  
1 1 1 -21 34  10 o 60.887  3.3260  2023.72    218.511  1981.48    249.851  2161.12    450.623  60.164  3.8545  62.170  6.8031  -2.006424      7.819179  
1 1 1 -21 34  11 o 114.620 3.0529  7147.37    379.001  6922.87    436.843  7830.75    762.155  112.710 3.5784  119.234 5.9016  -6.524216      6.901771  
1 1 1 -21 34  12 o 132.785 3.2183  9601.29    462.857  9243.72    534.730  10669.68   924.319  130.150 3.7933  138.974 6.1407  -8.823837      7.217884  
1 1 1 -21 34  13 o 59.127  3.5967  1914.50    229.238  1949.30    268.097  1819.89    442.091  59.549  4.1833  56.643  7.3814  2.905781       8.484406  
1 1 1 -21 34  14 o 52.106  3.9089  1492.53    218.997  1422.27    257.164  1677.95    417.760  50.679  4.7401  54.333  7.2821  -3.654083      8.688961  
1 1 1 -21 34  15 o 49.542  4.0987  1353.33    217.954  1356.38    258.241  1345.79    406.363  49.413  4.8893  48.221  8.0653  1.192036       9.431594  
1 1 1 -21 34  16 o 74.479  3.3829  3030.39    272.895  3316.51    324.205  2334.91    505.463  77.816  3.8466  63.946  7.4370  13.87047       8.372863  
1 1 1 -21 34  17 o 55.974  2.3591  1704.84    143.024  1521.85    275.059  1772.66    167.440  52.253  4.9179  57.033  2.7106  -4.779186      5.615439  
1 1 1 -21 34  18 o 37.621  5.6427  805.364    222.837  773.443    261.862  889.161    424.276  36.450  6.8853  38.020  10.123  -1.569809      12.24277  
1 1 1 -21 34  19 o 53.613  4.2903  1596.76    247.041  1376.23    289.361  2189.64    474.446  49.340  5.5086  61.523  7.2598  -12.18265      9.113182  
1 1 1 -21 34  20 o 52.711  4.2920  1546.30    242.911  1449.66    283.385  1814.01    471.652  50.694  5.2366  55.356  8.1068  -4.662086      9.651030  
1 1 1 -21 34  21 o 30.038  7.8659  549.031    258.940  388.377    340.423  769.593    398.877  26.298  9.4199  34.782  10.033  -8.484089      13.76241  
1 1 1 -21 34  22 o 47.929  6.0192  1338.52    305.578  1395.78    446.588  1288.11    419.032  46.971  9.1070  45.246  8.8677  1.725082       12.71113  
1 1 1 -21 34  23 o 29.965  7.3264  562.659    235.788  1031.76    441.596  375.583    278.868  38.551  10.356  24.701  8.5524  13.84968       13.43077  
1 1 1 -21 34  24 o 17.939  8.4653  -284.9888  429.471  -284.9888  429.471  0.0000     0.0000   17.939  8.4653  ?       ?       0.000000       8.465283  
1 1 1 -21 34  25 o 4.3725  2.2097  -168.7207  50.555   -168.7207  50.555   0.0000     0.0000   4.3725  2.2097  ?       ?       0.000000       2.209690  
1 1 1 -21 34  26 o 23.740  9.5192  340.405    372.610  340.405    372.610  0.0000     0.0000   23.740  9.5192  ?       ?       0.000000       9.519163  
1 1 1 -21 34  27 o 17.782  8.2664  -115.0117  384.469  -115.0117  384.469  0.0000     0.0000   17.782  8.2664  ?       ?       0.000000       8.266362  
1 1 1 -21 34  28 o 17.619  8.1741  -99.3254   372.984  -99.3254   372.984  0.0000     0.0000   17.619  8.1741  ?       ?       0.000000       8.174078  
1 1 1 -21 35  1  o 61.772  2.7180  2071.96    181.847  2168.79    202.709  1672.85    411.543  63.183  2.9621  54.646  7.1226  8.537571       7.713996  
1 1 1 -21 35  2  o 192.297 3.7512  20126.84   781.292  19599.38   898.300  21765.14   1583.16  189.589 4.3746  198.552 7.3617  -8.962738      8.563433  
1 1 1 -21 35  3  o 167.070 3.5374  15184.22   640.105  14641.81   746.075  16697.17   1246.04  163.907 4.2026  174.225 6.6032  -10.31810      7.827082  
1 1 1 -21 35  4  o 172.753 3.4937  16234.04   653.699  15248.85   750.896  19317.71   1328.48  167.277 4.1445  187.404 6.5450  -20.12633      7.746831  
1 1 1 -21 35  5  o 72.518  2.7220  2855.85    213.800  2894.94    240.877  2710.71    464.143  72.987  3.0471  69.987  6.1867  2.999588       6.896348  
1 1 1 -21 35  6  o 33.897  3.6789  632.734    132.899  696.321    147.177  351.888    309.305  35.546  3.8861  26.163  9.0100  9.383623       9.812300  
1 1 1 -21 35  7  o 13.986  5.4826  63.506     120.958  33.083     135.838  179.992    265.801  13.760  5.6616  21.440  8.2010  -7.679495      9.965467  
1 1 1 -21 35  8  o 42.436  4.5188  994.519    204.503  765.243    257.889  1382.96    335.672  36.691  6.7376  49.721  6.3803  -13.02978      9.279228  
1 1 1 -21 35  9  o 60.759  3.2311  2014.11    211.871  1834.87    240.291  2640.21    449.108  57.891  3.8543  69.006  6.0707  -11.11460      7.190899  
1 1 1 -21 35  10 o 69.963  2.3909  2657.91    181.177  2247.69    257.164  3062.18    255.292  64.110  3.7195  75.023  3.1418  -10.91209      4.868812  
1 1 1 -21 35  11 o 42.690  4.0029  1003.45    182.924  1018.70    207.582  950.432    386.958  42.917  4.5343  40.317  9.0799  2.600548       10.14911  
1 1 1 -21 35  12 o 12.408  5.5665  -68.9358   155.162  -28.5887   175.779  -211.3023  330.191  14.083  6.1370  17.169  7.8654  -3.085428      9.976305  
1 1 1 -21 35  13 o 67.604  3.2657  2490.87    239.125  2541.04    276.108  2340.33    478.300  68.111  3.7573  64.470  6.9602  3.641518       7.909575  
1 1 1 -21 35  14 o 82.589  3.1811  3717.92    284.559  3595.19    331.721  4059.83    553.678  81.107  3.7761  85.394  6.0250  -4.287399      7.110493  
1 1 1 -21 35  15 o 60.465  3.6188  2005.17    235.903  1794.46    277.639  2552.29    447.375  56.978  4.5365  67.482  6.1898  -10.50459      7.674226  
1 1 1 -21 35  16 o 34.554  5.2949  674.967    191.848  695.747    225.427  620.385    365.354  34.843  6.2006  32.350  9.6765  2.493557       11.49271  
1 1 1 -21 35  17 o 45.221  1.8183  1110.68    89.061   738.109    247.844  1165.92    95.435   35.713  6.6521  46.326  1.9020  -10.61266      6.918707  
1 1 1 -21 35  18 o 28.022  6.8872  461.642    207.546  469.308    241.318  439.859    406.788  28.161  7.6935  28.536  10.289  -0.3747997     12.84728  
1 1 1 -21 35  19 o 36.177  5.8780  751.836    222.417  901.708    260.544  349.201    427.047  39.540  6.2948  27.004  10.379  12.53653       12.13907  
1 1 1 -21 35  20 o 37.337  1.6857  757.506    68.169   538.423    276.613  771.672    70.339   29.837  8.2718  37.681  1.7234  -7.844276      8.449437  
1 1 1 -21 35  21 o 28.285  2.0341  438.030    61.900   686.222    303.348  427.247    63.230   33.349  8.4021  27.922  2.1063  5.426434       8.662094  
1 1 1 -21 35  22 o 25.865  1.5161  365.030    42.286   370.410    42.853   165.867    260.718  26.054  1.5252  20.079  7.9924  5.974707       8.136628  
1 1 1 -21 35  23 o 44.214  6.6196  1181.05    307.253  1579.74    456.974  852.097    415.083  49.381  8.8700  34.954  10.279  14.42681       13.57724  
1 1 1 -21 35  24 o 25.945  10.171  408.216    416.343  408.216    416.343  0.0000     0.0000   25.945  10.171  ?       ?       0.000000       10.17128  
1 1 1 -21 35  25 o 24.377  9.5462  359.281    366.431  359.281    366.431  0.0000     0.0000   24.377  9.5462  ?       ?       0.000000       9.546185  
1 1 1 -21 35  26 o 21.818  9.3208  204.315    390.149  204.315    390.149  0.0000     0.0000   21.818  9.3208  ?       ?       0.000000       9.320801  
1 1 1 -21 35  27 o 16.346  7.7385  -224.9812  364.205  -224.9812  364.205  0.0000     0.0000   16.346  7.7385  ?       ?       0.000000       7.738472  
1 1 1 -21 36  1  f 33.902  3.6271  632.527    131.117  635.401    144.531  619.161    311.651  33.919  4.0118  32.768  8.6529  1.150467       9.537725  
1 1 1 -21 36  2  o 72.895  2.6853  2885.34    212.013  2934.51    237.078  2689.00    473.755  73.490  2.9785  69.668  6.3481  3.822136       7.012081  
1 1 1 -21 36  3  o 151.408 3.3515  12466.98   549.609  12678.16   630.684  11800.37   1120.54  152.590 3.8161  146.250 7.0739  6.340195       8.037581  
1 1 1 -21 36  4  o 56.945  2.8085  1761.34    173.220  1787.19    192.637  1652.15    395.911  57.257  3.1180  54.340  6.8810  2.917484       7.554501  
1 1 1 -21 36  5  o 111.016 2.8653  6695.67    344.524  6846.90    397.181  6236.05    692.413  112.209 3.2681  106.396 6.0334  5.813141       6.861611  
1 1 1 -21 36  6  o 115.588 2.9947  7261.44    374.911  7680.70    431.190  5962.46    758.980  118.824 3.3504  103.764 6.7907  15.06071       7.572263  
1 1 1 -21 36  7  o 70.629  2.4698  2708.41    188.938  2989.04    252.239  2349.70    285.181  74.140  3.1412  65.525  4.0380  8.615021       5.115865  
1 1 1 -21 36  8  o 110.948 4.2038  6717.62    505.164  6360.09    734.968  7037.77    695.485  107.252 6.3553  113.063 5.6976  -5.811272      8.535385  
1 1 1 -21 36  9  o 55.259  3.3776  1668.37    201.182  1738.79    227.707  1417.84    429.500  56.361  3.7516  49.802  8.2513  6.558617       9.064114  
1 1 1 -21 36  10 o 91.831  2.9540  4586.18    293.810  4601.65    335.713  4535.58    607.304  91.927  3.3717  90.464  6.2362  1.462791       7.089350  
1 1 1 -21 36  11 o 24.707  5.9974  349.980    158.875  300.451    178.654  537.248    347.388  23.054  6.7336  30.708  9.4872  -7.654379      11.63393  
1 1 1 -21 36  12 o 108.211 3.0069  6374.11    352.422  6099.63    417.931  7049.63    655.647  105.728 3.6496  113.175 5.3487  -7.447113      6.475218  
1 1 1 -21 36  13 o 130.149 3.2763  9233.16    461.848  8910.64    528.169  10280.92   951.976  127.707 3.8184  136.066 6.4596  -8.359001      7.503784  
1 1 1 -21 36  14 f 42.666  2.1324  988.805    98.544   1086.88    233.894  967.638    108.659  44.175  4.9751  42.124  2.3915  2.050819       5.520034  
1 1 1 -21 36  15 o 27.091  1.2845  397.926    37.689   222.563    219.973  403.229    38.255   21.214  7.5750  27.270  1.2952  -6.056763      7.684906  
1 1 1 -21 36  16 o 49.188  4.1712  1337.77    220.134  1321.77    261.566  1376.61    407.581  48.664  5.0353  48.631  8.0174  0.3310776E-01  9.467490  
1 1 1 -21 36  17 o 74.220  3.4222  3014.53    275.103  2795.66    321.291  3615.86    532.554  71.174  4.1862  80.135  6.1836  -8.960602      7.467360  
1 1 1 -21 36  18 o 20.142  7.2469  201.732    201.693  142.023    233.551  376.901    400.029  19.422  7.6169  27.238  10.139  -7.816248      12.68105  
1 1 1 -21 36  19 o 33.393  1.5527  605.487    56.158   418.873    238.871  616.405    57.778   26.615  7.7897  33.691  1.5833  -7.076469      7.949000  
1 1 1 -21 36  20 o 39.194  5.6372  879.833    232.421  690.499    274.187  1363.21    438.104  33.911  7.6475  47.349  8.8687  -13.43813      11.71058  
1 1 1 -21 36  21 o 49.007  5.0831  1363.06    265.886  1436.16    323.069  1209.62    468.075  49.825  6.1149  43.364  10.146  6.460514       11.84624  
1 1 1 -21 36  22 o 39.588  6.4663  933.755    267.687  917.259    365.119  952.927    393.620  37.688  9.0571  38.099  9.5556  -0.4106674     13.16588  
1 1 1 -21 36  23 o 22.938  8.2970  309.036    264.830  515.839    382.428  118.483    367.096  27.991  9.9886  21.046  9.0173  6.945223       13.45675  
1 1 1 -21 36  24 f 35.285  9.5718  860.808    375.088  860.808    375.088  0.0000     0.0000   35.285  9.5718  ?       ?       0.000000       9.571838  
1 1 1 -21 36  25 o 57.246  7.3892  2067.02    447.462  2067.02    447.462  0.0000     0.0000   57.246  7.3892  ?       ?       0.000000       7.389204  
1 1 1 -21 36  26 o 25.275  9.9113  429.458    395.414  429.458    395.414  0.0000     0.0000   25.275  9.9113  ?       ?       0.000000       9.911278  
1 1 1 -21 36  27 o 4.9641  2.3489  -38.3082   33.477   -38.3082   33.477   0.0000     0.0000   4.9641  2.3489  ?       ?       0.000000       2.348900  
1 1 1 -21 37  1  o 65.146  2.3663  2303.39    166.964  2375.13    181.125  1897.65    430.729  66.143  2.5283  58.259  6.9642  7.884560       7.408898  
1 1 1 -21 37  2  o 80.494  2.7181  3518.88    236.970  3555.42    267.548  3385.88    510.447  80.881  3.0541  78.291  6.0670  2.589661       6.792354  
1 1 1 -21 37  3  o 59.941  2.7693  1951.55    179.792  2020.32    199.869  1659.92    411.590  60.971  3.0266  54.386  7.1614  6.584797       7.774743  
1 1 1 -21 37  4  o 54.778  2.8232  1634.37    166.933  1684.46    185.189  1417.22    385.570  55.582  3.0883  50.140  7.3152  5.441929       7.940399  
1 1 1 -21 37  5  o 103.543 2.7498  5823.73    308.388  5649.38    351.811  6402.10    640.779  101.928 3.1867  107.938 5.4993  -6.009666      6.355876  
1 1 1 -21 37  6  o 75.079  2.7847  3062.44    226.447  3141.92    258.664  2801.67    468.536  76.013  3.1418  71.120  6.1428  4.893784       6.899625  
1 1 1 -21 37  7  o 50.197  3.1939  1376.05    172.744  1324.86    190.634  1611.03    408.429  49.194  3.6028  53.491  7.2352  -4.297089      8.082639  
1 1 1 -21 37  8  o 36.981  6.7428  777.846    260.130  827.818    358.702  722.412    377.799  37.711  8.9216  35.221  9.6280  2.489780       13.12606  
1 1 1 -21 37  9  o 10.655  2.3924  64.091     26.933   191.184    164.556  60.593     27.301   19.312  6.5739  10.356  2.4688  8.955387       7.022155  
1 1 1 -21 37  10 o 25.301  5.6896  365.870    152.133  371.985    168.411  338.749    354.690  25.469  6.1701  26.467  9.5976  -0.9985237     11.40983  
1 1 1 -21 37  11 o 86.430  3.0286  4065.54    283.519  4283.03    325.810  3387.11    575.436  88.656  3.3930  77.809  6.8997  10.84742       7.688808  
1 1 1 -21 37  12 o 55.442  3.4865  1682.93    208.294  1703.40    238.088  1616.15    430.030  55.690  3.9733  53.230  7.6811  2.459682       8.647866  
1 1 1 -21 37  13 o 93.812  3.0858  4794.29    313.546  4430.75    364.191  5835.52    616.352  90.062  3.7335  102.680 5.5629  -12.61714      6.699576  
1 1 1 -21 37  14 f 73.642  3.3312  2958.84    265.705  2843.53    311.459  3267.10    509.256  71.964  4.0119  76.455  6.2033  -4.490372      7.387564  
1 1 1 -21 37  15 o 39.556  4.7829  873.661    200.751  724.741    235.535  1269.13    383.827  35.560  6.3483  46.793  7.8514  -11.23314      10.09675  
1 1 1 -21 37  16 o 29.915  6.3466  518.435    199.264  409.914    238.669  768.129    362.030  26.557  7.7903  35.744  9.2723  -9.186592      12.11052  
1 1 1 -21 37  17 o 30.005  6.0465  520.414    189.711  542.693    224.064  464.007    356.533  30.424  6.9516  28.614  9.6767  1.809908       11.91484  
1 1 1 -21 37  18 o 74.506  3.4026  3041.93    274.584  2788.09    316.387  3816.60    552.721  71.019  4.1310  82.104  6.2627  -11.08513      7.502400  
1 1 1 -21 37  19 o 27.591  7.1181  451.250    214.126  288.416    249.773  902.728    415.902  23.160  8.0897  38.086  9.9666  -14.92634      12.83657  
1 1 1 -21 37  20 o 26.760  7.4961  428.557    225.933  322.437    268.604  685.261    417.762  24.114  8.3910  33.062  10.434  -8.948454      13.38963  
1 1 1 -21 37  21 o 42.656  5.8887  1054.55    264.809  1036.10    326.109  1090.28    453.735  41.450  7.5417  40.913  10.258  0.5365143      12.73216  
1 1 1 -21 37  22 o 20.804  7.8724  220.047    243.275  150.702    313.066  325.747    386.513  20.753  8.5729  24.897  9.7876  -4.143435      13.01122  
1 1 1 -21 37  23 o 55.407  2.8218  1697.48    168.781  1838.49    422.524  1670.71    184.108  54.650  7.3224  54.845  3.1121  -0.1951752     7.956268  
1 1 1 -21 37  24 o 25.559  9.8187  404.923    382.025  404.923    382.025  0.0000     0.0000   25.559  9.8187  ?       ?       0.000000       9.818739  
1 1 1 -21 37  25 o 27.428  10.092  527.987    394.262  527.987    394.262  0.0000     0.0000   27.428  10.092  ?       ?       0.000000       10.09237  
1 1 1 -21 37  26 o 23.933  9.5778  357.770    376.414  357.770    376.414  0.0000     0.0000   23.933  9.5778  ?       ?       0.000000       9.577811  
1 1 1 -21 37  27 o 15.964  7.6631  -330.0522  383.798  -330.0522  383.798  0.0000     0.0000   15.964  7.6631  ?       ?       0.000000       7.663120  
1 1 1 -21 38  1  o 32.740  1.7570  582.870    62.075   640.223    138.729  568.512    69.411   34.072  3.8253  32.313  1.9930  1.759262       4.313321  
1 1 1 -21 38  2  o 43.719  2.9500  1043.40    138.873  1054.59    151.740  985.669    344.605  43.922  3.2120  41.488  7.9584  2.434319       8.582124  
1 1 1 -21 38  3  o 81.891  2.8064  3643.20    248.917  3766.60    283.935  3233.42    517.401  83.232  3.1496  76.412  6.3080  6.819328       7.050620  
1 1 1 -21 38  4  o 102.536 2.8748  5712.89    319.268  5931.87    365.009  4999.75    658.703  104.437 3.2268  95.079  6.4343  9.358665       7.198097  
1 1 1 -21 38  5  o 56.984  2.3020  1762.41    142.077  2071.26    205.326  1478.67    196.799  61.723  3.0713  52.003  3.5146  9.719887       4.667536  
1 1 1 -21 38  6  o 20.475  1.3463  228.184    29.689   192.615    138.349  229.901    30.397   18.882  6.0094  20.550  1.3736  -1.667629      6.164434  
1 1 1 -21 38  7  o 46.344  3.3744  1175.08    168.216  1135.06    185.211  1363.65    402.002  45.482  3.7944  48.959  7.8460  -3.476532      8.715318  
1 1 1 -21 38  8  o 72.490  3.4658  2861.38    272.116  2802.47    323.239  3004.71    504.177  71.530  4.1905  73.540  6.3934  -2.010246      7.644334  
1 1 1 -21 38  9  o 163.597 3.4406  14577.39   609.646  14581.41   700.930  14564.89   1235.45  163.469 3.9589  162.059 7.0385  1.409271       8.075471  
1 1 1 -21 38  10 o 126.634 3.0516  8726.28    418.557  8731.58    480.190  8709.54    853.973  126.576 3.5026  125.384 6.3084  1.192207       7.215568  
1 1 1 -21 38  11 o 70.193  3.0496  2682.14    231.852  2548.89    263.322  3141.82    489.070  68.269  3.5736  75.170  6.0584  -6.900368      7.033849  
1 1 1 -21 38  12 o 40.030  4.4464  888.363    189.521  811.102    217.877  1128.58    384.181  38.001  5.4495  44.096  8.3497  -6.094620      9.970657  
1 1 1 -21 38  13 o 47.928  3.8917  1264.06    200.276  1219.72    230.766  1399.39    403.149  46.926  4.5994  49.352  7.8014  -2.425758      9.056252  
1 1 1 -21 38  14 o 24.709  6.5270  352.607    177.284  382.584    205.600  265.704    350.061  25.726  7.1311  24.728  9.4227  0.9985046      11.81699  
1 1 1 -21 38  15 o 38.704  5.2582  842.566    214.719  880.570    260.134  761.317    380.355  39.274  6.3306  35.622  9.6286  3.651608       11.52331  
1 1 1 -21 38  16 o 60.420  2.6464  1988.85    173.186  2410.94    288.863  1751.99    216.391  66.140  4.0518  56.465  3.5564  9.675430       5.391255  
1 1 1 -21 38  17 o 75.848  3.4463  3150.22    283.119  3363.08    337.866  2648.34    518.793  78.120  4.0066  68.000  7.1511  10.12052       8.197010  
1 1 1 -21 38  18 o 61.212  2.7138  2044.74    179.924  2250.28    301.044  1930.52    224.416  63.680  4.3915  59.225  3.5142  4.455761       5.624531  
1 1 1 -21 38  19 f 43.503  5.2104  1069.74    240.617  1267.36    285.571  586.071    446.769  47.216  5.6995  31.415  10.828  15.80013       12.23643  
1 1 1 -21 38  20 o 45.725  4.8507  1179.28    236.563  1079.94    276.282  1452.20    457.939  43.258  6.0633  48.667  9.0199  -5.408276      10.86841  
1 1 1 -21 38  21 o 32.179  7.2618  629.783    247.089  696.104    300.925  492.539    432.893  33.376  8.3462  28.724  10.574  4.652565       13.47127  
1 1 1 -21 38  22 o 22.563  8.1005  291.820    251.877  598.128    313.704  -263.9079  422.544  30.278  8.9455  18.222  8.5350  12.05591       12.36393  
1 1 1 -21 38  23 o 36.628  9.6902  917.804    390.373  917.804    390.373  0.0000     0.0000   36.628  9.6902  ?       ?       0.000000       9.690229  
1 1 1 -21 38  24 o 22.253  9.3081  212.373    375.722  212.373    375.722  0.0000     0.0000   22.253  9.3081  ?       ?       0.000000       9.308099  
1 1 1 -21 38  25 o 39.716  9.3132  1100.00    393.676  1100.00    393.676  0.0000     0.0000   39.716  9.3132  ?       ?       0.000000       9.313152  
1 1 1 -21 38  26 o 20.458  9.0146  109.632    388.775  109.632    388.775  0.0000     0.0000   20.458  9.0146  ?       ?       0.000000       9.014626  
1 1 1 -21 38  27 o 19.051  8.5939  22.197     375.710  22.197     375.710  0.0000     0.0000   19.051  8.5939  ?       ?       0.000000       8.593886  
1 1 1 -21 39  1  o 95.735  2.8328  4980.06    293.737  5430.05    336.148  3526.70    604.109  99.933  3.1057  79.573  7.0834  20.35960       7.734345  
1 1 1 -21 39  2  o 107.567 2.9128  6288.25    339.358  6484.60    388.623  5657.74    696.399  109.182 3.2863  101.166 6.3883  8.015060       7.184065  
1 1 1 -21 39  3  o 154.818 3.3134  13039.59   555.607  13474.35   639.507  11701.13   1122.09  157.276 3.7542  145.462 7.1221  11.81374       8.050963  
1 1 1 -21 39  4  o 59.789  3.0841  1948.75    199.040  1843.61    222.442  2371.03    445.804  58.085  3.5528  65.314  6.3834  -7.229088      7.305545  
1 1 1 -21 39  5  o 53.453  2.4018  1551.16    139.055  1568.42    146.887  1402.07    431.620  53.743  2.5234  49.531  8.3420  4.212063       8.715345  
1 1 1 -21 39  6  o 27.851  4.3894  433.670    128.027  428.543    137.296  467.834    354.436  27.612  4.7629  29.292  9.6428  -1.679996      10.75492  
1 1 1 -21 39  7  o 118.974 2.9753  7696.18    383.401  7689.84    436.695  7717.53    800.866  118.853 3.3923  118.170 6.2798  0.6838226      7.137484  
1 1 1 -21 39  8  o 128.299 3.6587  8970.84    508.419  8805.64    608.978  9350.90    923.657  126.926 4.4298  129.918 6.5856  -2.992249      7.936776  
1 1 1 -21 39  9  o 54.065  3.3282  1597.65    193.941  1489.51    217.294  2021.16    430.034  52.108  3.8779  60.066  6.7254  -7.958359      7.763325  
1 1 1 -21 39  10 o 10.257  2.4961  59.455     27.468   -283.3082  167.419  68.936     27.845   10.078  4.8919  11.053  2.3951  -0.9755507     5.446699  
1 1 1 -21 39  11 o 83.342  2.9769  3780.70    268.720  3833.68    306.863  3606.45    556.524  83.862  3.3784  80.411  6.4441  3.450905       7.275951  
1 1 1 -21 39  12 o 77.570  3.1465  3278.20    264.360  3154.83    304.586  3654.95    532.256  76.010  3.6997  81.024  6.1100  -5.014305      7.142867  
1 1 1 -21 39  13 o 55.409  3.8253  1686.33    228.167  1708.66    267.562  1626.79    436.854  55.633  4.4783  53.263  7.8040  2.370564       8.997677  
1 1 1 -21 39  14 o 17.890  6.6196  143.029    170.028  208.772    196.331  -54.2013   340.059  20.371  7.1689  19.290  8.4673  1.081493       11.09449  
1 1 1 -21 39  15 o 13.728  6.1237  -66.2995   184.977  -183.1610  223.362  188.805    330.015  13.602  6.3159  22.795  9.0177  -9.192604      11.00949  
1 1 1 -21 39  16 o 41.576  4.8445  967.325    214.063  817.965    254.869  1324.99    394.403  37.704  6.4742  47.643  7.9213  -9.938351      10.23048  
1 1 1 -21 39  17 o 16.665  6.7573  74.979     190.050  -8.2939    228.570  261.498    342.081  16.330  7.0571  24.218  9.2942  -7.888187      11.66983  
1 1 1 -21 39  18 o 49.852  4.5678  1386.30    243.895  1247.49    290.909  1714.70    447.455  46.826  5.8644  54.074  7.8709  -7.247444      9.815448  
1 1 1 -21 39  19 o 12.935  6.0229  -171.1486  205.439  -219.9749  241.560  -43.5168   390.551  13.754  6.4456  20.434  9.0180  -6.680297      11.08464  
1 1 1 -21 39  20 f 47.945  4.8833  1297.53    250.049  1167.59    295.882  1622.23    467.718  44.881  6.2570  51.633  8.6709  -6.751835      10.69271  
1 1 1 -21 39  21 o 43.670  5.5629  1102.54    257.146  905.508    309.577  1541.00    461.818  38.434  7.7050  49.539  8.9358  -11.10500      11.79896  
1 1 1 -21 39  22 o 18.931  7.8151  118.897    259.928  272.832    333.290  -120.0815  415.273  23.109  9.0876  19.331  8.8432  3.777716       12.68012  
1 1 1 -21 39  23 o 17.549  8.0050  -101.4615  337.239  -101.4615  337.239  0.0000     0.0000   17.549  8.0050  ?       ?       0.000000       8.005003  
1 1 1 -21 39  24 o 34.328  9.6846  827.440    375.728  827.440    375.728  0.0000     0.0000   34.328  9.6846  ?       ?       0.000000       9.684629  
1 1 1 -21 39  25 o 20.408  8.9763  92.290     383.881  92.290     383.881  0.0000     0.0000   20.408  8.9763  ?       ?       0.000000       8.976274  
1 1 1 -21 39  26 o 30.242  1.6931  501.535    55.235   501.535    55.235   0.0000     0.0000   30.242  1.6931  ?       ?       0.000000       1.693082  
1 1 1 -21 39  27 o 22.681  1.3714  281.404    33.530   281.404    33.530   0.0000     0.0000   22.681  1.3714  ?       ?       0.000000       1.371366  
1 1 1 -21 40  1  o 79.286  2.6777  3414.84    229.945  3380.87    260.326  3535.44    490.478  78.855  3.0480  80.047  5.6944  -1.192642      6.458810  
1 1 1 -21 40  2  o 55.212  3.1185  1662.93    185.725  1759.89    199.804  1046.81    503.688  56.784  3.2624  42.122  10.942  14.66275       11.41788  
1 1 1 -21 40  3  o 43.883  3.5855  1055.48    168.925  1149.30    180.555  396.755    478.430  45.791  3.6714  29.605  11.074  16.18567       11.66697  
1 1 1 -21 40  4  o 103.147 2.8742  5782.39    321.106  5697.92    364.613  6074.35    677.838  102.335 3.2896  104.933 5.9889  -2.598434      6.832887  
1 1 1 -21 40  5  o 162.990 3.4629  14462.48   611.327  14459.41   702.364  14472.07   1241.59  162.835 3.9824  161.697 7.0894  1.137985       8.131350  
1 1 1 -21 40  6  o 133.747 3.1911  9731.87    462.266  10171.48   530.234  8339.33    943.715  136.654 3.5824  122.499 7.1438  14.15464       7.991687  
1 1 1 -21 40  7  o 108.736 2.8351  6427.17    333.903  6092.69    378.365  7604.69    709.928  105.799 3.3019  117.650 5.5712  -11.85123      6.476203  
1 1 1 -21 40  8  o 78.523  3.3904  3357.95    288.351  3324.71    343.437  3437.34    530.840  77.931  4.0830  78.675  6.2819  -0.7441864     7.492233  
1 1 1 -21 40  9  o 54.891  3.7171  1650.76    219.684  1492.14    255.476  2100.89    430.368  52.013  4.5817  61.269  6.5888  -9.255737      8.025240  
1 1 1 -21 40  10 o 68.895  3.1464  2584.64    234.782  2532.33    267.974  2757.43    487.034  68.034  3.6499  70.265  6.4723  -2.231133      7.430502  
1 1 1 -21 40  11 f 60.224  3.4172  1983.83    221.983  1904.01    254.691  2236.10    452.789  58.883  4.0174  63.097  6.7293  -4.213589      7.837287  
1 1 1 -21 40  12 o 53.180  3.5710  1550.57    204.493  1359.83    232.907  2192.36    427.225  49.627  4.3779  62.531  6.3981  -12.90327      7.752541  
1 1 1 -21 40  13 o 36.914  2.2112  743.023    88.003   998.135    220.589  694.734    95.971   42.320  4.9033  35.655  2.5009  6.664997       5.504250  
1 1 1 -21 40  14 o 20.966  6.7755  240.809    175.357  247.032    203.034  222.537    347.909  21.574  7.3023  23.836  9.3108  -2.262707      11.83275  
1 1 1 -21 40  15 o 28.978  6.3041  486.521    192.235  441.736    226.559  601.653    363.255  27.476  7.4331  31.867  9.6750  -4.391758      12.20069  
1 1 1 -21 40  16 o 53.442  3.9124  1575.89    224.890  1614.19    263.792  1473.98    430.261  53.915  4.5601  50.149  8.2052  3.766201       9.387212  
1 1 1 -21 40  17 o 88.032  2.9972  4234.29    285.781  4164.57    381.693  4323.23    431.117  86.987  4.0513  88.347  4.5205  -1.360184      6.070237  
1 1 1 -21 40  18 o 25.205  7.4201  372.245    216.179  454.674    271.638  229.855    357.019  27.705  8.3564  23.807  9.3916  3.898365       12.57108  
1 1 1 -21 40  19 o 23.826  7.4726  329.201    214.606  348.073    250.033  276.401    418.229  24.630  8.0986  25.496  10.131  -0.8653431     12.96999  
1 1 1 -21 40  20 o 68.595  3.8850  2611.38    287.450  2363.14    338.764  3249.69    543.230  64.798  4.8623  74.778  6.7809  -9.979858      8.343995  
1 1 1 -21 40  21 f 63.136  4.2891  2240.37    291.564  2098.05    350.620  2559.38    524.940  60.444  5.4130  65.111  7.5858  -4.667160      9.319090  
1 1 1 -21 40  22 o 19.809  8.0363  156.531    268.948  229.654    353.190  55.611     414.923  22.595  9.1933  21.214  9.3315  1.380682       13.09934  
1 1 1 -21 40  23 o 25.210  9.6703  380.114    370.222  380.114    370.222  0.0000     0.0000   25.210  9.6703  ?       ?       0.000000       9.670318  
1 1 1 -21 40  24 o 23.390  9.5091  288.274    377.490  288.274    377.490  0.0000     0.0000   23.390  9.5091  ?       ?       0.000000       9.509105  
1 1 1 -21 40  25 o 48.699  8.1054  1557.54    412.504  1557.54    412.504  0.0000     0.0000   48.699  8.1054  ?       ?       0.000000       8.105450  
1 1 1 -21 40  26 f 36.914  10.219  1036.52    422.486  1036.52    422.486  0.0000     0.0000   36.914  10.219  ?       ?       0.000000       10.21887  
1 1 1 -21 41  1  o 188.119 3.8737  19291.76   789.271  18173.35   954.566  21708.80   1403.29  182.250 4.8358  198.356 6.5318  -16.10620      8.127087  
1 1 1 -21 41  2  o 105.345 2.7332  6029.69    311.856  6104.44    365.448  5829.39    598.192  105.935 3.1851  102.962 5.3828  2.972473       6.254494  
1 1 1 -21 41  3  o 100.586 2.9222  5499.78    318.355  5366.85    355.470  6038.49    715.595  99.311  3.3047  104.489 6.3532  -5.177345      7.161328  
1 1 1 -21 41  4  o 35.260  4.0813  687.121    152.983  706.865    168.080  591.787    369.337  35.704  4.4424  32.197  9.7513  3.507401       10.71556  
1 1 1 -21 41  5  o 89.860  2.9096  4389.66    283.183  4644.73    321.136  3497.84    600.485  92.396  3.2090  79.182  7.0763  13.21355       7.769904  
1 1 1 -21 41  6  o 13.174  5.5187  16.791     132.360  46.231     144.069  -142.5618  335.181  14.435  5.8722  18.180  8.1667  -3.744547      10.05875  
1 1 1 -21 41  7  o 40.862  1.8214  905.702    80.613   793.437    191.111  930.000    88.910   37.778  4.7774  41.401  1.9828  -3.622238      5.172483  
1 1 1 -21 41  8  o 30.658  6.1116  536.167    195.819  565.482    232.176  463.926    364.469  31.332  7.0161  29.219  9.7843  2.113138       12.03987  
1 1 1 -21 41  9  o 68.975  3.4341  2592.95    256.551  2402.11    302.203  3085.35    485.432  66.147  4.2405  74.508  6.0680  -8.361160      7.402830  
1 1 1 -21 41  10 o 80.091  2.9946  3491.56    259.768  3249.85    296.017  4301.15    541.750  77.190  3.5407  88.130  5.7061  -10.93980      6.715364  
1 1 1 -21 41  11 o 55.064  2.1556  1646.61    128.560  1341.35    231.377  1782.93    154.626  49.298  4.3789  57.272  2.4927  -7.973850      5.038704  
1 1 1 -21 41  12 o 55.385  3.6595  1682.59    218.288  1750.66    252.064  1478.42    436.546  56.397  4.1558  50.587  8.2521  5.810017       9.239472  
1 1 1 -21 41  13 o 101.766 3.2000  5648.61    352.710  5482.37    413.211  6094.91    677.047  100.108 3.8109  104.619 6.0001  -4.510941      7.108034  
1 1 1 -21 41  14 o 82.405  2.8324  3699.90    252.800  3781.96    338.366  3596.22    380.328  83.122  3.7584  80.794  4.3624  2.328102       5.758086  
1 1 1 -21 41  15 o 27.013  0.8346  395.407    24.420   -151.7084  214.280  402.606    24.580   13.634  6.2791  27.258  0.8326  -13.62429      6.334071  
1 1 1 -21 41  16 o 16.450  6.7411  62.187     191.611  97.320     230.538  -16.3069   344.592  18.427  7.4527  19.786  8.6078  -1.358965      11.38579  
1 1 1 -21 41  17 o 99.940  3.1977  5465.24    346.141  5410.69    404.979  5613.13    666.808  99.243  3.7676  99.707  6.2053  -0.4642181     7.259533  
1 1 1 -21 41  18 o 30.422  6.4804  541.955    206.991  731.828    250.226  130.415    368.388  35.370  6.7785  22.378  9.2762  12.99199       11.48901  
1 1 1 -21 41  19 o 49.516  4.5693  1373.29    242.292  1342.58    288.572  1446.65    446.072  48.563  5.5882  48.832  8.7557  -0.2685814     10.38697  
1 1 1 -21 41  20 o 62.362  2.5534  2127.07    172.471  1827.17    306.741  2265.71    208.562  56.798  5.0385  64.243  2.9974  -7.444515      5.862627  
1 1 1 -21 41  21 o 34.446  1.4620  645.216    54.545   272.405    311.625  656.998    55.400   23.021  8.8619  34.758  1.4716  -11.73749      8.983228  
1 1 1 -21 41  22 o 24.172  8.4751  355.837    274.260  291.554    358.466  446.592    425.925  23.691  9.3900  26.982  10.367  -3.291304      13.98741  
1 1 1 -21 41  23 o 14.699  7.1118  -436.6930  346.487  -436.6930  346.487  0.0000     0.0000   14.699  7.1118  ?       ?       0.000000       7.111805  
1 1 1 -21 41  24 o 28.276  9.8334  557.748    368.859  557.748    368.859  0.0000     0.0000   28.276  9.8334  ?       ?       0.000000       9.833423  
1 1 1 -21 41  25 o 20.890  9.0833  136.734    383.324  136.734    383.324  0.0000     0.0000   20.890  9.0833  ?       ?       0.000000       9.083279  
1 1 1 -21 41  26 o 25.583  10.107  454.530    414.065  454.530    414.065  0.0000     0.0000   25.583  10.107  ?       ?       0.000000       10.10720  
1 1 1 -21 42  1  o 69.639  4.9660  2668.74    372.109  2001.10    503.265  3473.93    552.682  59.435  8.0228  79.081  6.5105  -19.64549      10.33205  
1 1 1 -21 42  2  o 24.336  4.7448  334.874    120.570  362.208    125.435  2.8558     437.172  25.333  4.7460  22.878  9.8225  2.454077       10.90903  
1 1 1 -21 42  3  o 50.813  3.2748  1410.79    179.268  1363.16    192.329  1726.23    494.910  49.899  3.5824  54.954  8.5966  -5.054871      9.313141  
1 1 1 -21 42  4  o 51.547  3.2884  1451.87    182.634  1497.03    202.776  1257.79    420.333  52.299  3.6017  46.728  8.6227  5.571011       9.344689  
1 1 1 -21 42  5  o 114.904 2.9783  7179.88    370.654  7354.31    423.080  6603.99    768.741  116.225 3.3609  109.156 6.5323  7.069809       7.346152  
1 1 1 -21 42  6  o 82.746  2.9232  3723.31    261.984  3794.04    296.909  3474.59    556.756  83.484  3.2836  79.025  6.5642  4.458580       7.339646  
1 1 1 -21 42  7  o 21.184  6.0134  253.847    144.398  286.750    158.480  92.991     350.406  22.464  6.2731  21.908  9.0614  0.5558624      11.02090  
1 1 1 -21 42  8  o 77.668  2.6060  3278.55    219.219  3306.80    287.898  3239.58    338.183  77.902  3.4121  76.901  4.0748  1.001015       5.314699  
1 1 1 -21 42  9  o 70.651  3.6508  2730.45    278.413  2783.06    335.880  2614.94    497.711  71.177  4.3781  68.294  6.8198  2.882980       8.104181  
1 1 1 -21 42  10 o 43.341  4.1746  1036.81    193.544  1152.03    221.691  667.521    396.886  45.631  4.5461  33.802  10.080  11.82887       11.05741  
1 1 1 -21 42  11 o 109.911 3.0350  6579.35    361.298  6518.55    413.958  6773.77    740.213  109.300 3.4967  110.367 6.2176  -1.066658      7.133389  
1 1 1 -21 42  12 o 102.819 3.5786  5773.63    398.529  6097.92    486.893  5115.31    693.714  105.482 4.2617  95.544  6.7470  9.937958       7.980234  
1 1 1 -21 42  13 o 94.629  3.1139  4883.29    319.148  4961.12    368.745  4650.92    637.136  95.275  3.5734  91.084  6.5010  4.191109       7.418375  
1 1 1 -21 42  14 o 28.510  6.1821  469.875    185.398  364.514    214.382  782.412    369.234  25.146  7.3852  36.114  9.3620  -10.96764      11.92431  
1 1 1 -21 42  15 o 15.407  6.4467  32.070     180.304  34.738     212.626  25.241     340.189  16.617  6.9796  20.302  8.6891  -3.684666      11.14521  
1 1 1 -21 42  16 o 43.386  4.9607  1055.63    228.920  1112.51    278.073  936.013    403.243  44.232  5.9557  39.186  9.5809  5.045811       11.28115  
1 1 1 -21 42  17 o 59.136  3.9883  1933.13    253.960  1654.04    305.477  2557.67    456.978  54.264  5.2637  67.074  6.3666  -12.80985      8.260806  
1 1 1 -21 42  18 o 18.432  7.0816  140.958    198.730  54.607     241.963  319.953    348.367  17.821  7.4634  25.287  9.4517  -7.466404      12.04307  
1 1 1 -21 42  19 o 10.053  2.1569  57.158     22.782   -108.7485  247.139  58.580     22.879   15.295  6.9284  10.181  2.1427  5.114389       7.252190  
1 1 1 -21 42  20 o 18.669  7.3956  135.644    222.255  307.573    262.501  -299.6740  417.694  23.410  8.2838  18.123  8.4878  5.286497       11.86019  
1 1 1 -21 42  21 o 16.668  7.1276  36.522     228.543  7.0432     274.755  102.725    411.741  17.508  7.6498  21.931  9.4747  -4.422781      12.17739  
1 1 1 -21 42  22 o 23.015  9.1253  268.533    338.648  268.533    338.648  0.0000     0.0000   23.015  9.1253  ?       ?       0.000000       9.125299  
1 1 1 -21 42  23 o 31.362  9.7130  683.110    363.865  683.110    363.865  0.0000     0.0000   31.362  9.7130  ?       ?       0.000000       9.712975  
1 1 1 -21 42  24 o 23.708  9.6467  309.480    388.911  309.480    388.911  0.0000     0.0000   23.708  9.6467  ?       ?       0.000000       9.646733  
1 1 1 -21 42  25 f 41.695  9.9506  1262.14    443.119  1262.14    443.119  0.0000     0.0000   41.695  9.9506  ?       ?       0.000000       9.950601  
1 1 1 -21 42  26 o 23.176  9.6174  305.663    396.579  305.663    396.579  0.0000     0.0000   23.176  9.6174  ?       ?       0.000000       9.617363  
1 1 1 -21 43  1  o 119.379 4.3862  7788.17    567.127  7865.45    801.966  7710.86    802.112  119.269 6.2297  118.062 6.2954  1.206642       8.856712  
1 1 1 -21 43  2  o 108.158 2.8619  6359.56    335.266  6131.96    374.337  7282.27    753.730  106.145 3.2561  114.812 6.0829  -8.667740      6.899519  
1 1 1 -21 43  3  o 171.738 3.5049  16065.20   651.940  16216.42   744.865  15570.04   1347.88  172.397 3.9891  167.388 7.4346  5.009308       8.437202  
1 1 1 -21 43  4  o 134.108 3.1431  9785.73    456.549  9826.79    522.322  9652.78    939.811  134.293 3.5910  132.154 6.5659  2.139069       7.483706  
1 1 1 -21 43  5  o 41.744  3.7032  957.310    165.693  993.836    183.048  791.628    389.852  42.485  4.0260  36.740  9.6664  5.745258       10.47131  
1 1 1 -21 43  6  o 72.772  2.5093  2876.99    197.785  2941.94    264.547  2794.68    297.820  73.501  3.3231  71.467  3.8618  2.034027       5.094733  
1 1 1 -21 43  7  o 29.362  5.0708  486.162    155.435  540.930    172.208  245.394    361.069  30.955  5.3285  24.751  9.5359  6.204771       10.92363  
1 1 1 -21 43  8  o 69.047  3.0662  2595.21    229.309  2768.96    258.916  1963.13    493.821  71.286  3.3534  58.714  7.9713  12.57124       8.647985  
1 1 1 -21 43  9  o 105.911 3.5196  6117.60    403.738  6308.82    490.081  5713.71    712.245  107.391 4.2134  101.298 6.5264  6.092499       7.768323  
1 1 1 -21 43  10 o 72.591  3.2118  2871.32    252.524  2928.17    290.996  2697.96    508.173  73.145  3.6849  69.304  6.8600  3.841164       7.787055  
1 1 1 -21 43  11 o 131.575 3.1857  9435.77    453.993  9041.49    523.203  10637.36   913.364  128.636 3.7552  138.531 6.0873  -9.894287      7.152447  
1 1 1 -21 43  12 o 139.575 3.3466  10631.33   505.919  10407.83   586.476  11281.39   1000.21  137.902 3.9265  142.287 6.4902  -4.384583      7.585501  
1 1 1 -21 43  13 o 71.631  3.3801  2802.29    262.243  2479.70    306.897  3675.22    504.845  67.091  4.2453  81.189  5.7788  -14.09813      7.170524  
1 1 1 -21 43  14 o 52.690  3.9175  1530.38    221.969  1471.00    259.207  1693.67    429.832  51.452  4.7033  54.245  7.5181  -2.792477      8.868032  
1 1 1 -21 43  15 f 15.679  6.5068  42.700     181.550  -11.1495   213.555  183.057    344.775  15.782  6.8208  22.927  9.1695  -7.145152      11.42820  
1 1 1 -21 43  16 f 74.979  2.8665  3068.90    232.790  2881.04    349.946  3218.02    311.779  72.097  4.5039  76.561  3.7598  -4.463425      5.867028  
1 1 1 -21 43  17 o 43.569  4.8213  1064.72    223.702  1087.59    268.373  1012.66    404.927  43.708  5.8131  40.709  9.3770  2.999653       11.03270  
1 1 1 -21 43  18 o 32.432  6.4229  615.287    217.637  506.768    265.238  838.910    380.752  29.025  8.1190  36.793  9.4918  -7.767609      12.49046  
1 1 1 -21 43  19 o 32.289  6.3033  612.849    212.532  708.313    256.308  402.746    380.241  34.453  7.1045  26.998  9.9148  7.455135       12.19737  
1 1 1 -21 43  20 o 26.408  7.6072  427.263    229.432  382.322    271.140  540.571    430.531  25.257  8.4392  29.493  10.590  -4.235493      13.54162  
1 1 1 -21 43  21 o 40.772  6.7742  1005.40    288.652  1299.60    371.153  555.093    459.186  45.761  7.7660  29.225  10.866  16.53580       13.35556  
1 1 1 -21 43  22 o 19.018  8.5042  -25.1820   359.059  -25.1820   359.059  0.0000     0.0000   19.018  8.5042  ?       ?       0.000000       8.504185  
1 1 1 -21 43  23 o 29.480  10.237  607.577    399.666  607.577    399.666  0.0000     0.0000   29.480  10.237  ?       ?       0.000000       10.23675  
1 1 1 -21 43  24 o 39.009  10.082  1097.68    429.045  1097.68    429.045  0.0000     0.0000   39.009  10.082  ?       ?       0.000000       10.08172  
1 1 1 -21 43  25 o 28.961  10.225  626.744    399.695  626.744    399.695  0.0000     0.0000   28.961  10.225  ?       ?       0.000000       10.22471  
1 1 1 -21 43  26 o 24.591  10.053  387.383    424.871  387.383    424.871  0.0000     0.0000   24.591  10.053  ?       ?       0.000000       10.05301  
1 1 1 -21 44  1  o 74.619  4.8646  3062.88    391.010  3231.48    533.830  2867.72    574.331  76.190  6.5321  71.416  7.5390  4.774178       9.975204  
1 1 1 -21 44  2  o 88.413  2.6778  4248.02    256.422  3932.17    281.213  5806.20    624.599  85.018  3.0539  102.601 5.6422  -17.58360      6.415694  
1 1 1 -21 44  3  o 85.131  2.9010  3940.95    267.489  3970.50    295.354  3806.14    630.845  85.412  3.1927  82.529  7.1273  2.882973       7.809726  
1 1 1 -21 44  4  o 60.578  2.9817  1996.07    195.632  1922.18    217.168  2314.17    450.598  59.312  3.3946  64.376  6.5538  -5.064140      7.380765  
1 1 1 -21 44  5  o 125.157 3.1312  8525.19    424.464  8899.58    485.497  7310.62    874.450  127.795 3.5075  114.536 7.0837  13.25909       7.904526  
1 1 1 -21 44  6  o 134.284 3.1563  9816.41    459.065  9742.79    525.635  10053.09   942.467  133.667 3.6307  134.781 6.4560  -1.114410      7.406916  
1 1 1 -21 44  7  o 21.212  1.4651  245.106    33.453   246.853    170.557  245.036    34.116   21.186  6.6645  21.206  1.4949  -0.1974106E-01 6.830100  
1 1 1 -21 44  8  o 16.110  6.1208  103.030    147.432  93.811     162.812  145.022    347.498  16.365  6.3757  22.638  9.1520  -6.273741      11.15386  
1 1 1 -21 44  9  o 60.386  2.4889  1981.91    162.783  1842.45    283.917  2050.20    198.683  57.802  4.5723  61.369  2.9891  -3.566650      5.462684  
1 1 1 -21 44  10 f 68.026  3.2835  2522.72    241.929  2603.89    278.741  2274.88    487.092  68.944  3.7469  63.433  7.2182  5.511135       8.132774  
1 1 1 -21 44  11 o 67.634  3.4165  2502.48    249.462  2685.07    289.391  1974.38    492.162  69.975  3.8329  58.710  7.9437  11.26418       8.820029  
1 1 1 -21 44  12 o 40.571  4.6311  916.104    199.855  966.900    231.926  769.589    393.892  41.534  5.2744  35.878  9.8406  5.656330       11.16502  
1 1 1 -21 44  13 o 9.7514  4.7870  -345.8607  173.880  -391.8644  205.724  -230.7980  325.354  10.730  5.2550  16.681  7.7021  -5.951072      9.324017  
1 1 1 -21 44  14 o 59.802  3.8160  1967.94    245.879  2141.59    292.166  1546.39    455.207  62.247  4.3611  51.360  8.4790  10.88773       9.534789  
1 1 1 -21 44  15 o 100.503 3.3439  5525.82    364.007  5496.85    431.597  5597.21    677.484  100.029 3.9837  99.698  6.3065  0.3304672      7.459297  
1 1 1 -21 44  16 o 55.721  3.9810  1716.19    238.677  1600.18    282.281  2007.09    447.018  53.506  4.9262  59.041  7.1351  -5.534592      8.670485  
1 1 1 -21 44  17 o 19.869  7.2346  192.550    201.838  224.355    244.898  125.195    356.388  21.536  7.9493  22.053  9.1313  -0.5166283     12.10670  
1 1 1 -21 44  18 o 32.125  2.3601  565.640    81.544   1078.91    263.801  511.416    85.743   43.438  5.7482  30.493  2.6216  12.94536       6.317815  
1 1 1 -21 44  19 o 55.325  4.3171  1711.81    256.642  1865.14    314.436  1405.82    444.192  57.408  5.1104  47.724  8.9214  9.683693       10.28140  
1 1 1 -21 44  20 o 73.030  3.6428  2957.98    288.143  2994.07    339.726  2865.45    543.937  73.015  4.3150  69.124  7.3793  3.890511       8.548267  
1 1 1 -21 44  21 o 41.608  6.7761  1048.44    294.859  1075.94    380.171  1006.94    467.118  40.696  8.8750  37.775  10.847  2.921093       14.01479  
1 1 1 -21 44  22 o 19.976  8.8007  34.916     370.382  34.916     370.382  0.0000     0.0000   19.976  8.8007  ?       ?       0.000000       8.800740  
1 1 1 -21 44  23 o 17.040  8.0068  -237.7948  376.919  -237.7948  376.919  0.0000     0.0000   17.040  8.0068  ?       ?       0.000000       8.006779  
1 1 1 -21 44  24 o 29.568  10.148  636.231    392.183  636.231    392.183  0.0000     0.0000   29.568  10.148  ?       ?       0.000000       10.14766  
1 1 1 -21 44  25 o 14.860  7.2726  -539.3915  392.047  -539.3915  392.047  0.0000     0.0000   14.860  7.2726  ?       ?       0.000000       7.272587  
1 1 1 -21 44  26 f ?       ?       -208.4666  37.112   -208.4666  37.112   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -21 45  1  o 45.291  6.6163  1157.88    314.989  983.585    422.596  1375.75    472.491  40.873  9.6929  48.611  9.3130  -7.738384      13.44189  
1 1 1 -21 45  2  o 112.191 4.5707  6888.98    555.407  7368.03    768.003  6363.74    804.174  115.374 6.1682  106.870 6.9858  8.504028       9.319257  
1 1 1 -21 45  3  o 41.027  3.4748  923.632    152.958  910.272    161.799  1035.96    469.162  40.690  3.7122  41.807  10.403  -1.117378      11.04539  
1 1 1 -21 45  4  o 33.426  4.0596  618.971    143.955  566.977    156.528  904.153    366.588  31.850  4.6768  39.350  8.8196  -7.500193      9.982848  
1 1 1 -21 45  5  o 81.875  2.5879  3643.18    229.488  3620.68    289.244  3681.41    377.017  81.535  3.2753  81.947  4.2624  -0.4127579     5.375489  
1 1 1 -21 45  6  o 100.398 2.9378  5484.34    319.460  5476.37    364.052  5511.01    666.155  100.254 3.3527  99.660  6.2022  0.5945740      7.050353  
1 1 1 -21 45  7  o 131.030 3.1780  9350.16    451.019  9511.29    516.952  8836.61    922.920  132.045 3.6146  125.960 6.7900  6.085220       7.692140  
1 1 1 -21 45  8  o 131.246 3.1839  9382.91    452.601  9692.63    513.476  8304.07    958.324  133.299 3.5565  121.780 7.2992  11.51894       8.119509  
1 1 1 -21 45  9  o 128.317 3.6700  8989.17    510.054  8524.06    622.294  9941.21    890.323  124.664 4.6088  133.977 6.1355  -9.312469      7.673640  
1 1 1 -21 45  10 o 36.219  5.0962  735.469    194.387  944.375    225.283  126.684    384.579  41.105  5.1748  23.146  9.5251  17.95953       10.84002  
1 1 1 -21 45  11 o 83.140  2.8368  3763.89    255.454  3983.11    337.871  3471.34    390.309  85.373  3.6539  79.376  4.5590  5.997200       5.842599  
1 1 1 -21 45  12 o 20.867  1.0266  235.991    23.203   -113.7271  201.154  240.707    23.358   13.667  6.2141  21.075  1.0233  -7.408009      6.297772  
1 1 1 -21 45  13 o 16.279  1.7706  145.572    30.716   253.540    239.578  143.767    30.972   22.333  7.9127  16.173  1.7985  6.159828       8.114540  
1 1 1 -21 45  14 o 25.135  1.3699  343.695    37.152   229.242    240.802  346.486    37.602   21.712  7.9027  25.236  1.3809  -3.524551      8.022417  
1 1 1 -21 45  15 o 28.900  6.9828  490.789    216.131  483.854    264.182  504.823    375.843  28.599  8.1392  29.615  9.9357  -1.015530      12.84381  
1 1 1 -21 45  16 o 29.748  7.1952  523.075    229.297  733.281    290.629  176.486    373.185  35.103  7.8418  23.286  9.4594  11.81747       12.28714  
1 1 1 -21 45  17 o 45.903  5.0881  1186.50    248.713  1097.75    309.163  1349.29    418.714  43.500  6.7831  47.534  8.4422  -4.033386      10.82962  
1 1 1 -21 45  18 o 64.459  4.1605  2308.36    288.920  2347.76    361.679  2238.88    480.287  64.549  5.2179  61.899  7.3046  2.650234       8.976834  
1 1 1 -21 45  19 o 55.349  4.4010  1718.69    261.657  2005.91    323.680  1177.05    444.496  59.493  5.0716  42.870  9.7881  16.62310       11.02402  
1 1 1 -21 45  20 o 13.578  6.2109  -107.0941  204.805  -273.0033  254.549  197.466    344.883  13.431  6.3905  22.204  9.0651  -8.773261      11.09124  
1 1 1 -21 45  21 o 34.954  9.0727  806.860    346.482  806.860    346.482  0.0000     0.0000   34.954  9.0727  ?       ?       0.000000       9.072689  
1 1 1 -21 45  22 o 38.023  9.3213  973.574    380.914  973.574    380.914  0.0000     0.0000   38.023  9.3213  ?       ?       0.000000       9.321321  
1 1 1 -21 45  23 o 34.824  10.214  872.872    410.311  872.872    410.311  0.0000     0.0000   34.824  10.214  ?       ?       0.000000       10.21411  
1 1 1 -21 45  24 f 55.505  7.8786  1990.84    460.356  1990.84    460.356  0.0000     0.0000   55.505  7.8786  ?       ?       0.000000       7.878649  
1 1 1 -21 45  25 o 22.456  9.4477  252.898    390.619  252.898    390.619  0.0000     0.0000   22.456  9.4477  ?       ?       0.000000       9.447709  
1 1 1 -21 46  1  o 72.714  4.9070  2912.89    384.200  2914.34    525.151  2911.21    563.562  72.176  6.7978  71.951  7.3342  0.2252350      10.00002  
1 1 1 -21 46  2  o 147.389 4.8705  11913.06   777.517  12470.25   1087.55  11330.51   1112.01  149.967 6.6955  142.509 7.2281  7.458267       9.852621  
1 1 1 -21 46  3  o 102.492 2.8420  5713.34    315.487  5595.25    350.834  6212.36    721.214  101.370 3.1954  105.806 6.3223  -4.435455      7.083934  
1 1 1 -21 46  4  o 71.015  2.9704  2744.07    228.475  2831.08    252.831  2356.60    533.523  72.100  3.2376  64.498  7.7954  7.601349       8.440975  
1 1 1 -21 46  5  o 29.733  4.9033  497.337    152.401  504.131    168.036  465.842    361.804  29.834  5.3989  29.181  9.7485  0.6531830      11.14370  
1 1 1 -21 46  6  f 21.610  1.4345  254.298    33.384   256.091    33.535   56.326     352.411  21.686  1.4359  21.341  8.9759  0.3445854      9.090054  
1 1 1 -21 46  7  f 137.389 3.2640  10284.29   485.707  10717.49   556.787  8905.12    993.461  140.141 3.6682  126.136 7.3031  14.00547       8.172544  
1 1 1 -21 46  8  o 145.061 3.3078  11469.77   519.704  11726.91   596.635  10661.08   1058.08  146.540 3.7591  138.091 7.0983  8.449585       8.032218  
1 1 1 -21 46  9  o 91.889  4.3637  4626.71    434.294  4389.83    607.387  4874.50    621.217  88.714  6.3635  93.588  6.1630  -4.873581      8.858702  
1 1 1 -21 46  10 f 124.380 3.1997  8434.83    431.050  8445.48    496.159  8402.05    870.442  124.322 3.6847  122.654 6.5762  1.668571       7.538113  
1 1 1 -21 46  11 o 121.643 3.1926  8070.96    420.628  7577.58    486.267  9537.39    838.329  117.686 3.8149  131.104 5.9038  -13.41758      7.029065  
1 1 1 -21 46  12 o 31.613  6.1970  574.807    204.601  599.467    243.707  515.925    376.591  32.054  7.1961  30.109  9.9409  1.944391       12.27215  
1 1 1 -21 46  13 o 54.761  3.9567  1652.96    233.100  1854.57    275.536  1145.45    437.166  57.896  4.4276  43.671  9.5117  14.22499       10.49171  
1 1 1 -21 46  14 o 35.722  5.7067  726.929    213.365  623.252    255.237  967.472    388.777  32.546  7.4070  40.100  9.1529  -7.553932      11.77454  
1 1 1 -21 46  15 o 39.570  2.0846  853.869    89.029   931.448    285.090  845.486    93.716   40.101  6.8072  39.359  2.2073  0.7426453      7.156082  
1 1 1 -21 46  16 o 52.008  4.4872  1505.30    250.288  1542.40    306.589  1431.16    433.372  52.306  5.4937  49.093  8.4554  3.213547       10.08341  
1 1 1 -21 46  17 o 15.445  1.6932  131.143    27.859   161.892    288.839  130.854    27.990   21.078  8.4053  15.426  1.7037  5.651955       8.576206  
1 1 1 -21 46  18 o 32.315  6.9487  621.718    235.976  895.180    299.624  175.030    382.940  38.732  7.4122  23.121  9.5086  15.61185       12.05630  
1 1 1 -21 46  19 o 17.518  7.2733  75.107     226.991  -96.4732   293.061  332.403    358.873  16.794  7.5817  25.085  9.5450  -8.291016      12.18973  
1 1 1 -21 46  20 o 34.497  7.5377  739.703    273.765  867.112    380.113  602.383    394.620  36.134  9.5632  30.166  10.181  5.968285       13.96773  
1 1 1 -21 46  21 o 63.556  6.6938  2421.77    453.856  2421.77    453.856  0.0000     0.0000   63.556  6.6938  ?       ?       0.000000       6.693765  
1 1 1 -21 46  22 f 33.508  10.026  787.206    392.155  787.206    392.155  0.0000     0.0000   33.508  10.026  ?       ?       0.000000       10.02559  
1 1 1 -21 46  23 o 46.996  8.7822  1468.27    430.592  1468.27    430.592  0.0000     0.0000   46.996  8.7822  ?       ?       0.000000       8.782154  
1 1 1 -21 46  24 o 44.517  8.8828  1347.63    413.291  1347.63    413.291  0.0000     0.0000   44.517  8.8828  ?       ?       0.000000       8.882827  
1 1 1 -21 46  25 o 56.943  7.8831  2119.36    473.152  2119.36    473.152  0.0000     0.0000   56.943  7.8831  ?       ?       0.000000       7.883105  
1 1 1 -21 47  1  o 15.588  7.1171  -164.0883  267.311  -119.1270  353.602  -224.0507  408.352  18.976  8.4658  19.391  8.8311  -0.4143219     12.23343  
1 1 1 -21 47  2  o 64.628  5.1623  2308.95    358.343  2013.29    480.532  2679.35    537.845  59.595  7.6190  68.983  7.3099  -9.388302      10.55857  
1 1 1 -21 47  3  o 14.522  5.1583  100.379    101.875  95.711     104.822  179.921    432.674  14.440  5.2204  25.122  10.193  -10.68139      11.45164  
1 1 1 -21 47  4  o 37.208  1.2964  750.455    52.244   679.161    69.983   840.204    78.519   35.333  1.8350  39.352  1.8422  -4.018864      2.600192  
1 1 1 -21 47  5  o 13.504  5.5397  35.000     129.575  73.581     140.137  -192.3785  340.203  15.001  5.8947  17.696  8.0597  -2.695120      9.985260  
1 1 1 -21 47  6  o 89.095  2.9322  4319.89    282.954  4373.39    321.158  4134.30    598.169  89.585  3.3099  86.129  6.4592  3.456207       7.257905  
1 1 1 -21 47  7  o 50.038  3.5206  1372.45    189.588  1486.45    212.134  919.997    422.596  52.036  3.7899  39.351  9.9184  12.68526       10.61782  
1 1 1 -21 47  8  f 60.816  3.3438  2022.66    219.412  2272.65    249.499  1169.57    460.888  64.429  3.5896  44.393  9.8436  20.03651       10.47762  
1 1 1 -21 47  9  o 56.753  2.9558  1758.81    181.061  2419.49    441.295  1625.08    198.542  65.734  6.2744  54.476  3.3816  11.25828       7.127685  
1 1 1 -21 47  10 o 93.355  3.0584  4749.96    309.250  4720.55    355.058  4842.38    629.436  92.968  3.5261  93.118  6.2776  -0.1493149     7.200088  
1 1 1 -21 47  11 o 62.015  4.1264  2117.50    275.581  2101.46    338.970  2148.77    473.284  61.504  5.1355  61.450  7.2506  0.5329895E-01  8.885060  
1 1 1 -21 47  12 o 43.058  4.4952  1030.52    206.547  1110.65    240.692  806.677    402.301  44.566  5.0771  36.564  9.9105  8.001377       11.13528  
1 1 1 -21 47  13 o 29.372  6.8685  503.993    214.607  429.421    260.867  660.140    377.482  27.189  8.1864  33.197  9.8141  -6.007563      12.78024  
1 1 1 -21 47  14 o 58.593  4.0104  1894.98    252.981  1992.95    304.401  1676.21    454.875  59.878  4.7322  53.564  8.0930  6.314445       9.374964  
1 1 1 -21 47  15 o 27.442  7.1151  443.663    213.243  289.418    258.863  769.330    376.141  23.408  8.2323  35.496  9.5669  -12.08830      12.62127  
1 1 1 -21 47  16 o 52.955  4.4711  1560.72    254.047  1453.92    310.719  1776.09    441.228  50.648  5.7670  55.214  7.5780  -4.565868      9.522863  
1 1 1 -21 47  17 o 53.398  4.5322  1592.68    259.649  1488.58    319.798  1794.04    444.775  51.081  5.8880  55.245  7.6375  -4.164165      9.643643  
1 1 1 -21 47  18 o 51.101  4.9124  1474.48    268.540  1614.52    339.689  1241.12    438.500  52.966  6.0287  44.541  9.3856  8.424671       11.15503  
1 1 1 -21 47  19 o 31.586  7.1894  608.796    240.432  618.580    306.098  593.035    388.485  31.223  8.7177  30.369  10.100  0.8544502      13.34203  
1 1 1 -21 47  20 o 49.640  2.5168  1355.32    134.874  1434.48    382.179  1344.05    144.149  48.315  7.5504  49.374  2.7059  -1.059105      8.020568  
1 1 1 -21 47  21 o 29.480  10.027  583.543    382.839  583.543    382.839  0.0000     0.0000   29.480  10.027  ?       ?       0.000000       10.02705  
1 1 1 -21 47  22 o 28.043  10.015  528.959    384.497  528.959    384.497  0.0000     0.0000   28.043  10.015  ?       ?       0.000000       10.01469  
1 1 1 -21 47  23 o 19.580  8.6579  43.493     361.718  43.493     361.718  0.0000     0.0000   19.580  8.6579  ?       ?       0.000000       8.657878  
1 1 1 -21 47  24 o 27.699  10.245  552.888    407.146  552.888    407.146  0.0000     0.0000   27.699  10.245  ?       ?       0.000000       10.24456  
1 1 1 -21 47  25 o 22.423  9.5543  234.763    408.016  234.763    408.016  0.0000     0.0000   22.423  9.5543  ?       ?       0.000000       9.554310  
1 1 1 -21 48  1  o 17.158  7.5440  -58.5235   270.905  273.687    358.811  -498.9631  413.145  25.191  9.5540  17.056  8.1225  8.135067       12.54011  
1 1 1 -21 48  2  o 42.909  6.9193  1047.52    310.637  1175.25    411.660  878.606    473.394  44.932  8.7737  38.442  10.880  6.490185       13.97654  
1 1 1 -21 48  3  o 38.028  1.1029  783.705    45.425   785.204    45.663   641.036    445.517  38.065  1.1076  33.509  10.797  4.555786       10.85329  
1 1 1 -21 48  4  o 58.508  3.1119  1869.21    196.495  1843.15    211.964  2028.46    523.974  58.054  3.3857  59.526  8.3573  -1.472546      9.017025  
1 1 1 -21 48  5  o 21.702  5.7177  269.198    136.278  289.521    147.915  155.071    350.518  22.495  5.9714  22.868  9.2103  -0.3735180     10.97668  
1 1 1 -21 48  6  o 39.279  1.8482  837.211    78.628   809.806    176.376  844.008    87.840   38.221  4.3374  39.374  2.0670  -1.153534      4.804718  
1 1 1 -21 48  7  o 23.538  5.9561  318.198    151.969  409.064    167.533  -103.8085  361.044  26.693  5.9471  19.342  8.5964  7.351046       10.45298  
1 1 1 -21 48  8  o 101.094 2.8468  5563.24    311.716  5544.90    372.211  5606.31    570.407  100.816 3.4087  100.739 5.2459  0.7691193E-01  6.256124  
1 1 1 -21 48  9  o 43.594  4.8902  1058.07    226.922  978.035    273.316  1235.67    407.117  41.526  6.2722  46.038  8.4769  -4.512096      10.54505  
1 1 1 -21 48  10 o 80.918  3.0515  3569.30    267.442  3629.85    304.667  3365.94    558.336  81.527  3.4503  77.341  6.7324  4.185493       7.564991  
1 1 1 -21 48  11 o 118.959 3.1388  7721.02    404.420  7497.59    465.374  8410.30    817.383  117.066 3.6703  122.871 6.1419  -5.805649      7.155023  
1 1 1 -21 48  12 o 16.803  6.6537  92.320     179.829  217.276    207.741  -281.2262  359.184  20.787  7.3679  17.195  7.9926  3.591778       10.87046  
1 1 1 -21 48  13 o 99.198  3.2401  5377.57    348.129  5538.42    407.760  4945.06    668.617  100.519 3.7453  93.577  6.6400  6.941795       7.623426  
1 1 1 -21 48  14 o 48.106  4.5597  1288.50    234.741  1336.60    281.521  1178.76    425.241  48.733  5.4257  44.251  9.1735  4.481537       10.65794  
1 1 1 -21 48  15 o 95.534  3.3776  4998.82    349.487  5241.49    415.699  4413.79    645.447  97.631  3.9311  88.033  6.8226  9.598679       7.874150  
1 1 1 -21 48  16 o 28.243  1.9961  435.989    60.668   704.490    285.206  423.263    62.089   34.316  7.8444  27.815  2.0759  6.501535       8.114466  
1 1 1 -21 48  17 o 43.893  5.2580  1093.04    244.989  1153.04    304.827  983.588    411.723  44.586  6.5038  39.648  9.6734  4.937263       11.65648  
1 1 1 -21 48  18 o 29.487  7.4420  528.984    237.691  666.882    301.267  301.615    386.848  32.756  8.4394  25.047  9.8085  7.709009       12.93946  
1 1 1 -21 48  19 o 31.373  1.7659  537.788    59.761   548.879    318.440  537.383    60.842   29.304  9.0882  31.356  1.7990  -2.051680      9.264591  
1 1 1 -21 48  20 o 24.789  9.5529  341.937    362.426  341.937    362.426  0.0000     0.0000   24.789  9.5529  ?       ?       0.000000       9.552907  
1 1 1 -21 48  21 o 37.286  9.5358  939.361    386.631  939.361    386.631  0.0000     0.0000   37.286  9.5358  ?       ?       0.000000       9.535839  
1 1 1 -21 48  22 o 28.234  10.003  542.206    382.851  542.206    382.851  0.0000     0.0000   28.234  10.003  ?       ?       0.000000       10.00279  
1 1 1 -21 48  23 o 23.212  9.5648  276.965    388.413  276.965    388.413  0.0000     0.0000   23.212  9.5648  ?       ?       0.000000       9.564832  
1 1 1 -21 48  24 o 13.566  6.7236  -688.6157  372.228  -688.6157  372.228  0.0000     0.0000   13.566  6.7236  ?       ?       0.000000       6.723635  
1 1 1 -21 48  25 o 22.889  9.7460  256.129    423.987  256.129    423.987  0.0000     0.0000   22.889  9.7460  ?       ?       0.000000       9.745951  
1 1 1 -21 49  1  o 57.939  5.5348  1866.24    343.105  1935.87    465.232  1783.20    508.037  58.399  7.5306  55.584  8.7261  2.815159       11.52631  
1 1 1 -21 49  2  o 45.806  6.5241  1185.70    314.534  1481.19    419.354  805.691    475.567  50.864  7.8658  36.922  11.039  13.94199       13.55471  
1 1 1 -21 49  3  o 46.926  6.3683  1241.09    315.308  1349.68    415.370  1093.43    484.364  48.388  8.2196  42.776  10.526  5.611389       13.35511  
1 1 1 -21 49  4  o 119.429 2.8978  7762.30    374.846  7617.16    430.072  8221.05    764.621  118.207 3.3591  122.018 5.7856  -3.810623      6.690096  
1 1 1 -21 49  5  o 46.144  3.4015  1167.22    168.803  1178.66    185.582  1112.36    406.249  46.314  3.7312  43.592  8.9052  2.722263       9.655309  
1 1 1 -21 49  6  o 89.327  2.9201  4343.60    282.521  4450.08    320.062  3967.92    601.207  90.355  3.2705  84.232  6.6438  6.123177       7.405128  
1 1 1 -21 49  7  o 77.326  2.9659  3256.12    248.399  3326.40    280.325  2999.24    535.947  78.102  3.3138  73.048  6.8541  5.053658       7.613158  
1 1 1 -21 49  8  o 30.171  5.3990  516.795    169.953  509.527    190.647  544.925    375.076  29.793  6.1131  30.871  9.9022  -1.077829      11.63715  
1 1 1 -21 49  9  o 42.503  4.7803  1005.70    216.243  1025.80    255.906  955.523    404.379  42.699  5.6739  40.034  9.4736  2.665623       11.04271  
1 1 1 -21 49  10 o 59.012  2.5609  1895.00    163.680  2308.23    248.849  1579.90    217.303  64.890  3.5542  53.605  3.7667  11.28494       5.178802  
1 1 1 -21 49  11 o 85.834  2.7932  4014.25    259.672  4075.60    331.526  3916.87    417.688  86.326  3.5457  84.231  4.5957  2.095695       5.804550  
1 1 1 -21 49  12 o 104.504 3.0720  5960.68    347.718  6300.73    426.197  5283.74    601.330  107.266 3.6684  97.301  5.7312  9.964211       6.804699  
1 1 1 -21 49  13 o 3.9986  1.9367  -43.1807   25.874   248.882    242.045  -46.5568   26.023   22.191  7.9436  3.9290  1.9121  18.26234       8.170503  
1 1 1 -21 49  14 o 38.916  5.5667  859.864    227.950  816.146    278.160  949.257    397.753  37.374  7.1318  39.501  9.4278  -2.127174      11.82137  
1 1 1 -21 49  15 o 16.456  6.8541  46.959     202.497  8.7020     245.444  128.504    358.343  17.164  7.3643  22.190  9.1697  -5.026026      11.76081  
1 1 1 -21 49  16 o 20.714  7.4981  215.354    216.343  129.176    268.368  375.308    365.619  19.958  8.0517  26.580  9.7281  -6.622223      12.62800  
1 1 1 -21 49  17 o 35.413  6.3648  733.921    235.154  905.754    294.001  428.782    391.783  39.062  7.2149  27.675  10.079  11.38687       12.39527  
1 1 1 -21 49  18 o 26.299  2.5733  382.078    72.361   1124.52    307.065  338.424    74.458   43.607  6.7170  24.682  2.8368  18.92492       7.291498  
1 1 1 -21 49  19 o 46.082  5.7120  1238.22    278.982  1190.91    365.921  1303.89    431.131  43.753  8.0170  44.972  9.1622  -1.218342      12.17454  
1 1 1 -21 49  20 o 44.247  8.6656  1255.08    400.435  1255.08    400.435  0.0000     0.0000   44.247  8.6656  ?       ?       0.000000       8.665624  
1 1 1 -21 49  21 o 27.479  10.002  491.328    385.691  491.328    385.691  0.0000     0.0000   27.479  10.002  ?       ?       0.000000       10.00152  
1 1 1 -21 49  22 f 25.770  9.9700  413.665    395.969  413.665    395.969  0.0000     0.0000   25.770  9.9700  ?       ?       0.000000       9.969976  
1 1 1 -21 49  23 o 17.713  8.1908  -132.0636  370.018  -132.0636  370.018  0.0000     0.0000   17.713  8.1908  ?       ?       0.000000       8.190807  
1 1 1 -21 49  24 o 23.296  9.8922  269.736    434.651  269.736    434.651  0.0000     0.0000   23.296  9.8922  ?       ?       0.000000       9.892248  
1 1 1 -21 50  1  o 20.101  8.1764  102.812    279.280  65.687     374.097  149.553    419.760  22.001  9.2503  24.323  9.9736  -2.322271      13.60297  
1 1 1 -21 50  2  o 18.397  1.1685  184.170    23.162   273.334    31.283   75.966     34.461   22.417  1.2939  11.586  2.7813  10.83100       3.067530  
1 1 1 -21 50  3  o 68.848  5.0078  2618.74    370.871  2604.80    496.613  2636.31    557.661  68.096  6.8251  68.189  7.6846  -0.9297180E-01 10.27795  
1 1 1 -21 50  4  o 45.986  3.2650  1158.28    161.562  1182.54    171.318  963.275    485.702  46.440  3.4302  40.066  10.902  6.373993       11.42881  
1 1 1 -21 50  5  o 89.004  2.9410  4312.88    283.509  4580.23    321.129  3368.14    603.661  91.670  3.2343  77.296  7.2968  14.37402       7.981504  
1 1 1 -21 50  6  o 107.025 3.0104  6238.98    348.963  6559.10    397.887  5172.08    726.381  109.661 3.3499  95.991  7.0356  13.67065       7.792404  
1 1 1 -21 50  7  o 56.517  3.3228  1748.24    202.504  1861.00    227.351  1315.31    445.483  58.261  3.6208  47.353  9.0152  10.90762       9.715131  
1 1 1 -21 50  8  o 66.209  3.1921  2390.55    228.905  2599.95    259.578  1658.26    485.423  68.915  3.4890  53.387  8.6942  15.52837       9.368109  
1 1 1 -21 50  9  o 60.094  2.5973  1965.23    169.052  1908.46    310.627  1989.12    201.507  58.655  4.9354  60.320  3.0947  -1.665104      5.825416  
1 1 1 -21 50  10 o 26.863  5.9023  416.058    167.040  392.311    186.709  511.290    373.899  25.992  6.6154  29.981  9.9057  -3.988586      11.91159  
1 1 1 -21 50  11 o 20.192  6.6718  220.183    169.619  177.256    191.617  375.597    364.600  19.352  7.0487  26.989  9.7393  -7.637218      12.02242  
1 1 1 -21 50  12 o 21.557  7.1026  254.136    192.281  107.389    224.598  656.853    372.067  18.495  7.3995  33.087  9.7327  -14.59168      12.22614  
1 1 1 -21 50  13 o 27.210  6.7283  433.563    197.176  368.645    231.582  604.649    375.951  25.269  7.7361  31.815  9.8762  -6.545441      12.54537  
1 1 1 -21 50  14 o 22.828  1.9058  285.168    46.691   509.050    253.879  277.331    47.501   29.276  7.8469  22.502  1.9688  6.773569       8.090143  
1 1 1 -21 50  15 o 43.592  5.0815  1070.20    235.420  1060.22    285.016  1091.63    417.642  42.951  6.3152  42.279  9.3668  0.6718636      11.29682  
1 1 1 -21 50  16 o 73.452  3.9189  2983.62    310.647  3139.54    384.753  2691.63    526.510  74.987  4.7619  68.072  7.2528  6.914978       8.676367  
1 1 1 -21 50  17 o 42.251  5.4841  1022.57    245.044  888.770    303.634  1272.50    414.975  38.434  7.5634  45.497  8.7387  -7.063622      11.55723  
1 1 1 -21 50  18 o 45.571  5.3187  1193.07    257.581  1123.42    322.109  1316.63    428.989  43.261  7.1223  45.672  8.9921  -2.410999      11.47104  
1 1 1 -21 50  19 o 22.797  8.2031  296.512    258.434  618.792    352.312  -78.8965   380.245  30.641  9.5687  19.088  8.6250  11.55269       12.88219  
1 1 1 -21 50  20 o 58.672  7.1759  2091.07    446.510  2091.07    446.510  0.0000     0.0000   58.672  7.1759  ?       ?       0.000000       7.175854  
1 1 1 -21 50  21 o 30.703  9.9991  650.675    381.493  650.675    381.493  0.0000     0.0000   30.703  9.9991  ?       ?       0.000000       9.999093  
1 1 1 -21 50  22 o 27.805  10.077  528.913    390.972  528.913    390.972  0.0000     0.0000   27.805  10.077  ?       ?       0.000000       10.07746  
1 1 1 -21 50  23 o 40.836  10.170  1207.51    448.097  1207.51    448.097  0.0000     0.0000   40.836  10.170  ?       ?       0.000000       10.16966  
1 1 1 -21 50  24 o 25.891  10.398  444.000    445.416  444.000    445.416  0.0000     0.0000   25.891  10.398  ?       ?       0.000000       10.39848  
1 1 1 -21 51  1  o 111.407 4.5546  6808.85    549.582  6500.06    763.504  7140.88    791.717  107.927 6.5626  113.177 6.4857  -5.250252      9.226711  
1 1 1 -21 51  2  o 91.522  3.8643  4578.32    383.060  4392.90    469.053  4949.63    663.753  89.281  4.8689  94.143  6.5503  -4.861763      8.161689  
1 1 1 -21 51  3  o 45.506  6.5811  1173.42    314.949  1332.98    414.380  955.157    484.638  48.000  8.2689  39.858  10.908  8.142139       13.68833  
1 1 1 -21 51  4  o 11.543  2.6195  75.354     31.999   171.523    120.170  68.014     33.198   17.726  5.5964  10.970  2.7881  6.755574       6.252481  
1 1 1 -21 51  5  o 63.289  3.0739  2182.41    210.714  2410.05    235.454  1266.74    472.224  66.482  3.2699  46.210  9.7420  20.27173       10.27609  
1 1 1 -21 51  6  o 56.079  3.2393  1720.51    195.917  1728.84    218.255  1685.94    444.558  56.147  3.6081  54.233  7.7920  1.913464       8.586770  
1 1 1 -21 51  7  o 28.809  5.2570  471.481    157.991  555.344    174.766  96.471     369.565  31.305  5.3462  22.274  9.2669  9.031527       10.69849  
1 1 1 -21 51  8  o 130.204 3.1924  9247.54    450.211  9667.65    512.506  7827.69    942.195  133.012 3.5574  117.730 7.4271  15.28292       8.235077  
1 1 1 -21 51  9  o 122.599 3.6577  8221.70    485.704  8421.22    590.932  7806.25    852.724  123.800 4.4070  117.914 6.7046  5.886215       8.023308  
1 1 1 -21 51  10 o 106.996 3.0512  6245.16    353.592  5948.98    404.484  7205.00    728.156  104.285 3.5810  113.637 5.9367  -9.352287      6.933123  
1 1 1 -21 51  11 o 134.070 3.2625  9820.27    473.749  10262.77   546.143  8475.20    952.193  136.893 3.6835  122.294 7.2207  14.59856       8.105965  
1 1 1 -21 51  12 o 112.499 3.1395  6914.22    382.546  6781.75    441.116  7316.05    768.286  111.242 3.6611  114.111 6.2399  -2.869019      7.234616  
1 1 1 -21 51  13 o 14.613  6.5071  -65.8990   207.870  -97.2418   257.880  -7.7542    351.240  15.976  7.1709  20.063  8.7093  -4.087581      11.28156  
1 1 1 -21 51  14 o 33.053  6.2082  632.164    214.093  634.594    257.384  626.705    385.705  32.750  7.4269  32.228  10.003  0.5223808      12.45899  
1 1 1 -21 51  15 o 58.191  2.6770  1848.43    168.722  2135.48    306.170  1723.23    202.194  61.913  4.5986  55.965  3.3511  5.948521       5.690048  
1 1 1 -21 51  16 o 49.164  4.9816  1362.58    261.608  1393.57    326.186  1306.72    437.987  49.182  6.2657  46.157  9.0845  3.024967       11.03577  
1 1 1 -21 51  17 o 26.838  1.3590  392.175    39.375   194.911    292.680  395.811    39.736   21.510  8.4977  26.962  1.3652  -5.451796      8.606685  
1 1 1 -21 51  18 o 55.610  4.5876  1749.94    273.852  1643.10    338.326  1952.93    466.357  53.088  5.9886  56.601  7.8157  -3.513237      9.846251  
1 1 1 -21 51  19 o 43.723  8.4632  1211.64    386.306  1211.64    386.306  0.0000     0.0000   43.723  8.4632  ?       ?       0.000000       8.463223  
1 1 1 -21 51  20 o 25.661  9.6599  393.790    365.159  393.790    365.159  0.0000     0.0000   25.661  9.6599  ?       ?       0.000000       9.659949  
1 1 1 -21 51  21 o 27.552  10.195  498.848    403.292  498.848    403.292  0.0000     0.0000   27.552  10.195  ?       ?       0.000000       10.19477  
1 1 1 -21 51  22 o 26.573  10.225  462.523    414.721  462.523    414.721  0.0000     0.0000   26.573  10.225  ?       ?       0.000000       10.22494  
1 1 1 -21 51  23 o 23.549  9.9277  278.080    432.758  278.080    432.758  0.0000     0.0000   23.549  9.9277  ?       ?       0.000000       9.927737  
1 1 1 -21 51  24 o 33.705  10.716  876.810    439.991  876.810    439.991  0.0000     0.0000   33.705  10.716  ?       ?       0.000000       10.71584  
1 1 1 -21 52  1  o 106.733 4.5754  6253.65    528.931  6737.13    736.159  5737.69    760.477  110.001 6.2041  101.115 6.9867  8.886314       9.343740  
1 1 1 -21 52  2  o 56.953  3.0478  1772.12    187.323  2417.38    478.796  1655.51    203.548  65.498  6.8506  54.975  3.4357  10.52311       7.663867  
1 1 1 -21 52  3  o 65.311  5.2069  2364.81    365.270  2684.96    488.499  1958.81    550.112  69.151  6.6025  58.039  9.0459  11.11131       11.19914  
1 1 1 -21 52  4  o 38.090  3.4536  798.201    140.928  768.850    147.692  1096.78    471.062  37.333  3.7013  42.744  10.297  -5.411083      10.94209  
1 1 1 -21 52  5  o 92.362  2.4806  4638.94    248.155  4852.25    293.065  4098.49    466.477  94.397  2.8664  86.130  5.0222  8.266808       5.782588  
1 1 1 -21 52  6  o 39.635  3.8752  867.444    164.231  915.902    180.779  638.507    392.936  40.679  4.1616  32.983  10.073  7.695934       10.89918  
1 1 1 -21 52  7  o 12.422  2.8277  87.378     37.191   389.868    172.937  72.710     38.082   25.972  6.2281  11.355  3.0372  14.61699       6.929213  
1 1 1 -21 52  8  o 59.062  3.3950  1911.40    216.263  1971.37    245.024  1700.00    460.050  59.898  3.7965  54.224  8.0801  5.673935       8.927530  
1 1 1 -21 52  9  o 91.459  3.5635  4574.51    353.002  4705.13    427.529  4294.69    625.736  92.562  4.2645  87.335  6.6654  5.226273       7.912815  
1 1 1 -21 52  10 f 53.358  3.6052  1564.93    207.128  1579.00    234.221  1514.43    443.657  53.490  4.0734  50.917  8.3330  2.572334       9.275366  
1 1 1 -21 52  11 o 93.133  2.9014  4731.47    292.677  4531.95    366.150  5084.53    487.076  90.938  3.7175  95.989  4.6849  -5.051758      5.980643  
1 1 1 -21 52  12 o 54.715  2.2348  1628.70    132.441  1206.60    272.822  1758.84    151.489  46.248  5.5577  56.832  2.4611  -10.58314      6.078244  
1 1 1 -21 52  13 o 32.258  5.8849  598.602    198.032  532.377    230.281  786.629    388.020  30.053  7.1740  35.881  9.7363  -5.827868      12.09382  
1 1 1 -21 52  14 o 32.260  6.7236  609.553    227.316  681.996    279.323  467.488    391.161  33.826  7.7856  28.829  10.121  4.996365       12.76880  
1 1 1 -21 52  15 o 25.135  7.5966  370.996    224.319  439.888    278.047  242.561    379.644  27.252  8.4990  24.338  9.6581  2.913679       12.86513  
1 1 1 -21 52  16 o 58.662  4.1785  1916.71    263.752  2064.57    319.759  1601.97    466.523  60.577  4.9160  51.306  8.7065  9.270855       9.998519  
1 1 1 -21 52  17 o 33.338  6.7591  665.742    235.704  818.748    292.617  383.031    397.754  36.636  7.6225  26.477  10.055  10.15889       12.61759  
1 1 1 -21 52  18 o 19.556  7.7921  156.999    248.046  436.474    330.454  -203.6893  375.410  26.635  9.3049  17.726  8.2156  8.909304       12.41277  
1 1 1 -21 52  19 o 22.227  9.0740  206.961    345.547  206.961    345.547  0.0000     0.0000   22.227  9.0740  ?       ?       0.000000       9.073998  
1 1 1 -21 52  20 o 35.105  9.6539  838.136    378.500  838.136    378.500  0.0000     0.0000   35.105  9.6539  ?       ?       0.000000       9.653856  
1 1 1 -21 52  21 o 38.833  9.9038  1049.56    417.863  1049.56    417.863  0.0000     0.0000   38.833  9.9038  ?       ?       0.000000       9.903758  
1 1 1 -21 52  22 o 17.810  8.2201  -129.6369  370.059  -129.6369  370.059  0.0000     0.0000   17.810  8.2201  ?       ?       0.000000       8.220118  
1 1 1 -21 52  23 o 22.982  9.7969  241.056    429.343  241.056    429.343  0.0000     0.0000   22.982  9.7969  ?       ?       0.000000       9.796947  
1 1 1 -21 52  24 o 39.290  10.834  1181.06    475.953  1181.06    475.953  0.0000     0.0000   39.290  10.834  ?       ?       0.000000       10.83408  
1 1 1 -21 53  1  o 33.046  8.3677  642.570    299.805  916.409    405.076  310.869    445.822  39.188  9.6157  27.251  10.569  11.93737       14.28854  
1 1 1 -21 53  2  o 35.409  8.1354  735.443    305.446  883.746    410.301  551.083    457.470  38.447  9.8184  31.642  10.954  6.804420       14.71028  
1 1 1 -21 53  3  o 61.521  5.3623  2104.40    353.738  2111.51    469.948  2095.10    537.314  60.982  7.2576  60.255  8.4668  0.7270966      11.15160  
1 1 1 -21 53  4  o 70.242  3.3215  2692.13    252.696  2374.25    283.591  3917.25    556.738  65.737  4.0021  83.754  6.1810  -18.01706      7.363476  
1 1 1 -21 53  5  o 32.830  4.2741  600.610    148.373  608.970    158.173  539.350    428.173  33.001  4.5458  31.118  10.604  1.883833       11.53731  
1 1 1 -21 53  6  f 37.013  1.6713  743.407    67.002   658.535    166.423  759.825    73.196   34.323  4.5918  37.414  1.8063  -3.090626      4.934292  
1 1 1 -21 53  7  o 61.465  3.1622  2066.43    209.800  2126.21    235.184  1833.51    464.262  62.280  3.5007  56.469  7.7989  5.811771       8.548541  
1 1 1 -21 53  8  o 81.858  3.0190  3654.12    267.668  3642.74    303.707  3693.72    566.505  81.647  3.4344  81.046  6.5085  0.6005020      7.359001  
1 1 1 -21 53  9  o 103.598 3.4029  5865.92    381.830  5562.47    491.607  6327.32    606.201  100.534 4.5148  106.930 5.2342  -6.395500      6.912280  
1 1 1 -21 53  10 o 19.722  7.0389  192.541    189.920  42.918     221.722  604.795    368.037  17.089  7.1496  31.917  9.7493  -14.82732      12.08988  
1 1 1 -21 53  11 o 82.075  3.1651  3680.74    281.362  3625.85    322.738  3854.58    574.367  81.338  3.6634  82.608  6.4711  -1.270340      7.436152  
1 1 1 -21 53  12 o 64.999  3.5816  2322.22    251.176  2411.01    292.830  2074.99    488.613  66.082  4.1117  59.847  7.7178  6.234642       8.744732  
1 1 1 -21 53  13 o 41.928  2.4891  961.132    112.530  1465.58    263.647  848.762    124.434  51.234  4.8074  39.314  2.9436  11.91920       5.636980  
1 1 1 -21 53  14 o 54.356  4.0354  1636.94    235.879  1828.24    276.518  1125.81    452.000  57.311  4.4906  42.605  9.9716  14.70587       10.93607  
1 1 1 -21 53  15 o 46.439  4.6971  1210.79    233.007  1337.06    277.932  912.133    427.446  48.567  5.3736  37.984  10.182  10.58331       11.51320  
1 1 1 -21 53  16 o 29.486  2.2016  476.782    69.804   900.072    290.532  450.851    71.910   38.835  7.1714  28.646  2.3381  10.18897       7.542964  
1 1 1 -21 53  17 f 16.880  7.0963  55.104     220.109  128.387    272.825  -81.5276   372.525  19.663  8.0492  19.071  8.5845  0.5921116      11.76786  
1 1 1 -21 53  18 o 19.327  7.7652  146.871    248.497  75.897     331.210  238.274    375.866  19.967  8.5604  23.315  9.4848  -3.348799      12.77661  
1 1 1 -21 53  19 o 16.641  7.7093  -181.1932  330.003  -181.1932  330.003  0.0000     0.0000   16.641  7.7093  ?       ?       0.000000       7.709284  
1 1 1 -21 53  20 o 25.337  9.6150  383.053    363.541  383.053    363.541  0.0000     0.0000   25.337  9.6150  ?       ?       0.000000       9.614999  
1 1 1 -21 53  21 o 38.637  10.027  1049.97    423.235  1049.97    423.235  0.0000     0.0000   38.637  10.027  ?       ?       0.000000       10.02675  
1 1 1 -21 53  22 o 20.753  9.1924  69.716     409.476  69.716     409.476  0.0000     0.0000   20.753  9.1924  ?       ?       0.000000       9.192408  
1 1 1 -21 53  23 o 26.464  10.456  471.136    443.125  471.136    443.125  0.0000     0.0000   26.464  10.456  ?       ?       0.000000       10.45562  
1 1 1 -21 54  1  o 74.794  4.9065  3093.58    395.273  3155.23    543.204  3024.20    576.259  74.849  6.7739  73.003  7.3898  1.846565       10.02467  
1 1 1 -21 54  2  o 23.195  8.6195  248.015    288.897  253.476    385.430  241.013    436.431  25.170  9.8088  25.930  10.335  -0.7604294     14.24834  
1 1 1 -21 54  3  o 28.485  8.6854  467.870    292.286  606.619    381.708  271.196    454.454  32.207  9.9439  26.730  10.580  5.477057       14.51930  
1 1 1 -21 54  4  o 8.8661  4.1780  -113.7757  103.943  -82.9103   106.959  -638.0426  440.817  9.5935  4.4248  16.755  8.0857  -7.161254      9.217234  
1 1 1 -21 54  5  o 107.594 3.0111  6310.58    350.897  6362.32    392.537  6104.80    782.859  107.948 3.3573  104.134 6.9814  3.813873       7.746710  
1 1 1 -21 54  6  o 59.447  3.1072  1932.74    199.368  1926.90    221.430  1957.76    458.176  59.287  3.4634  58.542  7.3906  0.7447166      8.161860  
1 1 1 -21 54  7  o 16.761  6.1127  129.611    144.175  200.766    157.536  -237.2947  357.729  19.374  6.4312  17.622  8.1149  1.752203       10.35432  
1 1 1 -21 54  8  o 60.616  2.5281  1999.90    165.979  2296.11    252.801  1775.46    220.052  64.682  3.6231  56.859  3.5916  7.822357       5.101634  
1 1 1 -21 54  9  o 71.845  3.7385  2835.09    289.906  2853.19    349.392  2795.10    519.414  71.846  4.5128  70.162  6.9255  1.684799       8.266057  
1 1 1 -21 54  10 o 87.941  3.5834  4235.20    341.316  4498.00    413.085  3669.75    605.935  90.436  4.2172  80.332  7.0350  10.10365       8.202248  
1 1 1 -21 54  11 o 50.812  4.0379  1427.55    220.396  1493.76    255.150  1232.93    437.420  51.832  4.5925  45.306  9.2275  6.525887       10.30720  
1 1 1 -21 54  12 f 31.785  5.6057  578.569    185.932  686.584    211.324  208.382    391.217  34.620  5.8439  24.236  9.7412  10.38407       11.35963  
1 1 1 -21 54  13 o 73.631  3.4940  2972.98    278.646  2950.61    327.795  3031.23    529.055  73.052  4.1601  72.837  6.7843  0.2156067      7.958189  
1 1 1 -21 54  14 o 39.451  2.0817  849.369    88.633   892.980    268.019  844.014    93.917   39.205  6.5424  39.306  2.2151  -0.1009369     6.907175  
1 1 1 -21 54  15 o 32.739  6.4332  630.348    219.984  561.395    264.170  786.332    397.323  30.396  7.9379  35.246  9.9645  -4.849777      12.73978  
1 1 1 -21 54  16 o 26.630  7.2424  429.810    214.417  224.942    256.836  900.986    389.502  21.428  8.0936  37.501  9.5606  -16.07275      12.52640  
1 1 1 -21 54  17 o 48.470  5.3531  1353.40    276.338  1690.53    355.507  838.767    439.243  53.688  6.2294  35.168  10.630  18.52081       12.32120  
1 1 1 -21 54  18 o 35.212  9.9571  833.597    396.690  833.597    396.690  0.0000     0.0000   35.212  9.9571  ?       ?       0.000000       9.957140  
1 1 1 -21 54  19 o 29.851  9.7139  593.513    360.069  593.513    360.069  0.0000     0.0000   29.851  9.7139  ?       ?       0.000000       9.713923  
1 1 1 -21 54  20 o 16.951  7.8536  -170.6712  342.594  -170.6712  342.594  0.0000     0.0000   16.951  7.8536  ?       ?       0.000000       7.853605  
1 1 1 -21 54  21 o 16.840  8.1308  -476.4619  447.077  -476.4619  447.077  0.0000     0.0000   16.840  8.1308  ?       ?       0.000000       8.130768  
1 1 1 -21 54  22 o 19.490  8.8758  -45.6818   412.429  -45.6818   412.429  0.0000     0.0000   19.490  8.8758  ?       ?       0.000000       8.875752  
1 1 1 -21 54  23 o 22.741  9.6825  230.605    418.457  230.605    418.457  0.0000     0.0000   22.741  9.6825  ?       ?       0.000000       9.682467  
1 1 1 -21 55  1  o 74.414  4.9346  3065.38    395.465  3372.11    544.115  2721.91    575.771  77.442  6.5484  68.960  7.8485  8.481667       10.22160  
1 1 1 -21 55  2  o 65.808  5.2540  2407.12    371.370  2514.34    506.796  2282.78    545.759  66.564  7.1410  62.940  8.2006  3.624477       10.87399  
1 1 1 -21 55  3  o 54.663  5.8104  1675.49    338.732  1871.10    450.333  1420.62    514.044  57.205  7.4446  48.672  10.083  8.533005       12.53323  
1 1 1 -21 55  4  o 42.561  2.1535  986.882    98.952   993.359    101.080  837.916    484.759  42.697  2.1932  37.234  11.148  5.462872       11.36175  
1 1 1 -21 55  5  o 25.071  5.0466  358.759    132.294  375.904    137.990  163.868    465.237  25.657  5.1447  25.286  10.449  0.3702545      11.64649  
1 1 1 -21 55  6  o 40.413  3.7456  901.357    162.084  859.580    177.329  1113.46    399.563  39.355  4.2264  43.393  8.8024  -4.038582      9.764482  
1 1 1 -21 55  7  f 51.155  3.4439  1436.66    189.704  1429.63    211.373  1465.78    430.128  50.941  3.8597  50.166  8.1996  0.7750931      9.062638  
1 1 1 -21 55  8  o 158.175 3.4666  13683.05   593.900  13929.91   682.705  12915.04   1204.20  159.360 3.9553  151.104 7.3579  8.256653       8.353639  
1 1 1 -21 55  9  o 59.984  3.3639  1973.54    217.670  1948.62    245.961  2063.55    467.471  59.490  3.8377  59.967  7.3513  -0.4768867     8.292747  
1 1 1 -21 55  10 o 63.805  3.9023  2242.75    268.381  1989.80    321.438  2824.95    487.664  59.750  5.0132  70.662  6.4426  -10.91203      8.163309  
1 1 1 -21 55  11 o 65.129  3.5775  2331.20    251.393  2186.26    292.300  2743.06    492.728  62.855  4.3198  69.491  6.6268  -6.636379      7.910469  
1 1 1 -21 55  12 o 82.417  3.3030  3718.03    294.841  3810.41    342.911  3456.06    577.441  83.291  3.8011  77.805  6.9246  5.485382       7.899257  
1 1 1 -21 55  13 o 25.659  7.1431  388.030    205.827  350.112    243.926  481.776    383.543  24.725  7.9912  28.985  10.030  -4.260141      12.82440  
1 1 1 -21 55  14 o 23.885  7.1314  334.217    198.574  252.908    232.376  554.317    382.325  21.921  7.7901  30.312  10.017  -8.390841      12.68938  
1 1 1 -21 55  15 o 44.062  5.0786  1102.88    237.934  1030.28    287.380  1261.11    424.267  41.945  6.5388  45.123  8.9966  -3.177643      11.12184  
1 1 1 -21 55  16 o 34.639  6.1472  707.812    222.182  573.957    265.314  1022.07    406.523  30.408  7.9618  39.816  9.5496  -9.408022      12.43323  
1 1 1 -21 55  17 o 62.340  4.4796  2195.40    300.446  2254.53    380.692  2097.74    489.230  62.400  5.6955  58.478  7.9286  3.922523       9.762269  
1 1 1 -21 55  18 f 40.054  9.1507  1045.32    388.287  1045.32    388.287  0.0000     0.0000   40.054  9.1507  ?       ?       0.000000       9.150681  
1 1 1 -21 55  19 o 57.272  6.4494  1957.88    393.103  1957.88    393.103  0.0000     0.0000   57.272  6.4494  ?       ?       0.000000       6.449415  
1 1 1 -21 55  20 o 35.839  10.263  908.914    418.737  908.914    418.737  0.0000     0.0000   35.839  10.263  ?       ?       0.000000       10.26332  
1 1 1 -21 55  21 o 20.385  8.9573  71.287     381.439  71.287     381.439  0.0000     0.0000   20.385  8.9573  ?       ?       0.000000       8.957291  
1 1 1 -21 55  22 o 29.474  10.423  635.800    415.547  635.800    415.547  0.0000     0.0000   29.474  10.423  ?       ?       0.000000       10.42338  
1 1 1 -21 55  23 f 30.828  10.659  717.852    433.120  717.852    433.120  0.0000     0.0000   30.828  10.659  ?       ?       0.000000       10.65932  
1 1 1 -21 56  1  o 47.226  6.5158  1267.74    324.413  1207.81    440.590  1338.70    479.447  45.039  9.3383  47.332  9.6787  -2.293274      13.44923  
1 1 1 -21 56  2  f 68.736  5.1287  2623.15    379.073  2497.69    517.148  2768.85    557.279  66.223  7.3331  69.684  7.5019  -3.460991      10.49059  
1 1 1 -21 56  3  o 21.351  8.3901  167.012    283.907  221.592    369.492  88.340     443.604  24.239  9.5567  23.792  10.042  0.4470768      13.86261  
1 1 1 -21 56  4  o 80.168  4.8175  3554.33    416.365  3560.85    562.401  3546.43    619.370  79.533  6.5880  79.025  7.3194  0.5083389      9.847635  
1 1 1 -21 56  5  o 99.784  2.8456  5425.98    307.538  5117.68    340.651  6784.48    715.080  96.816  3.2486  110.243 6.0114  -13.42738      6.833020  
1 1 1 -21 56  6  o 102.908 2.9709  5775.20    331.135  5855.97    375.831  5494.92    700.105  103.527 3.3517  98.854  6.5763  4.673126       7.381208  
1 1 1 -21 56  7  o 91.229  2.9337  4539.10    289.877  4509.65    328.043  4644.05    619.216  90.840  3.3341  90.922  6.3273  -0.8175659E-01 7.152024  
1 1 1 -21 56  8  o 31.096  5.3260  550.283    172.928  698.163    193.267  -43.4555   387.258  35.140  5.2380  20.622  9.0443  14.51776       10.45158  
1 1 1 -21 56  9  o 65.672  2.5987  2349.59    184.849  2641.11    267.992  2085.02    255.300  69.354  3.5799  61.531  3.8501  7.822514       5.257277  
1 1 1 -21 56  10 o 72.485  2.9428  2867.89    231.036  3136.13    353.382  2667.65    305.329  75.331  4.3496  69.547  4.0712  5.784561       5.957659  
1 1 1 -21 56  11 o 18.892  2.4151  197.463    48.287   588.996    231.759  179.696    49.370   31.694  6.9433  17.974  2.6125  13.72042       7.418531  
1 1 1 -21 56  12 o 29.755  1.4692  480.540    47.350   322.704    253.674  486.237    48.197   24.136  8.1623  29.930  1.4868  -5.794189      8.296647  
1 1 1 -21 56  13 o 66.649  3.5858  2447.76    257.902  2459.79    300.141  2413.80    504.188  66.609  4.1815  64.459  7.3532  2.149246       8.459036  
1 1 1 -21 56  14 o 64.809  3.8078  2325.52    266.118  2321.06    313.883  2336.92    501.845  64.460  4.5245  63.061  7.4942  1.398636       8.754094  
1 1 1 -21 56  15 o 28.908  1.7141  456.176    53.428   481.891    269.387  455.123    54.511   28.009  8.2934  28.869  1.7516  -0.8603745     8.476313  
1 1 1 -21 56  16 o 25.694  8.1281  404.553    253.392  513.890    332.888  253.926    390.721  28.527  9.3429  23.988  9.7021  4.539291       13.46919  
1 1 1 -21 56  17 o 31.316  8.8729  632.825    314.682  632.825    314.682  0.0000     0.0000   31.316  8.8729  ?       ?       0.000000       8.872925  
1 1 1 -21 56  18 o 45.162  8.4501  1293.06    398.143  1293.06    398.143  0.0000     0.0000   45.162  8.4501  ?       ?       0.000000       8.450127  
1 1 1 -21 56  19 o 24.180  9.1004  338.540    324.043  338.540    324.043  0.0000     0.0000   24.180  9.1004  ?       ?       0.000000       9.100374  
1 1 1 -21 56  20 o 19.196  8.3365  61.488     322.082  61.488     322.082  0.0000     0.0000   19.196  8.3365  ?       ?       0.000000       8.336509  
1 1 1 -21 56  21 o 24.626  9.6508  363.832    374.727  363.832    374.727  0.0000     0.0000   24.626  9.6508  ?       ?       0.000000       9.650826  
1 1 1 -21 56  22 o 24.520  9.7716  360.781    390.138  360.781    390.138  0.0000     0.0000   24.520  9.7716  ?       ?       0.000000       9.771566  
1 1 1 -21 57  1  o 66.909  3.0692  2442.41    222.426  2253.29    504.025  2488.14    247.867  62.715  7.5735  67.392  3.4069  -4.676971      8.304493  
1 1 1 -21 57  2  o 57.334  5.7200  1842.29    350.461  1864.86    476.596  1815.71    517.137  56.823  7.9625  55.651  8.8779  1.172066       11.92551  
1 1 1 -21 57  3  o 33.452  8.3605  662.946    302.079  520.377    396.973  859.064    465.595  30.330  10.211  37.580  10.840  -7.250122      14.89194  
1 1 1 -21 57  4  o 43.688  7.0108  1097.26    320.520  1442.35    421.870  626.067    492.954  49.789  8.1015  33.095  11.376  16.69460       13.96583  
1 1 1 -21 57  5  o 15.048  5.5885  98.700     121.407  91.269     125.998  195.133    453.880  14.960  5.6645  25.430  10.393  -10.47027      11.83620  
1 1 1 -21 57  6  o 67.581  2.2604  2483.83    165.454  2528.07    176.226  2154.79    480.602  68.164  2.3870  61.330  7.3835  6.833897       7.759714  
1 1 1 -21 57  7  o 67.640  2.5171  2491.07    184.407  2732.79    258.147  2239.19    263.517  70.695  3.3714  63.793  3.8316  6.901665       5.103687  
1 1 1 -21 57  8  o 19.289  6.4197  199.809    156.937  169.420    173.495  336.611    368.108  18.678  6.7211  26.187  9.7299  -7.509340      11.82563  
1 1 1 -21 57  9  o 77.518  3.1240  3282.87    262.287  3400.65    298.546  2884.40    549.119  78.809  3.4975  71.005  7.2415  7.804466       8.041933  
1 1 1 -21 57  10 o 37.352  5.4529  791.295    214.104  895.892    252.522  523.831    403.806  39.585  6.0845  30.227  10.298  9.357977       11.96107  
1 1 1 -21 57  11 o 82.827  3.2871  3755.48    294.890  3797.12    341.761  3634.12    583.419  83.137  3.7954  79.832  6.8126  3.305153       7.798508  
1 1 1 -21 57  12 o 83.840  3.3303  3852.92    302.417  3653.30    351.609  4420.36    592.818  81.427  3.9868  88.288  6.2396  -6.860947      7.404497  
1 1 1 -21 57  13 o 54.749  2.6300  1637.02    155.957  1940.53    298.078  1522.62    183.004  58.892  4.7126  52.594  3.2282  6.297256       5.712217  
1 1 1 -21 57  14 o 30.772  6.9800  567.340    227.290  706.099    276.499  278.188    399.139  34.125  7.6678  24.956  9.9031  9.169014       12.52460  
1 1 1 -21 57  15 f 45.538  4.8104  1177.34    233.668  1171.53    277.618  1191.43    432.748  44.948  5.8405  43.151  9.5150  1.797276       11.16454  
1 1 1 -21 57  16 o 27.898  8.1361  487.596    261.006  385.967    344.689  624.188    399.605  25.738  9.4417  30.848  10.243  -5.110701      13.93058  
1 1 1 -21 57  17 o 31.681  9.7807  665.432    369.286  665.432    369.286  0.0000     0.0000   31.681  9.7807  ?       ?       0.000000       9.780664  
1 1 1 -21 57  18 o 31.460  9.8522  667.269    373.204  667.269    373.204  0.0000     0.0000   31.460  9.8522  ?       ?       0.000000       9.852237  
1 1 1 -21 57  19 o 26.049  9.2498  429.707    327.558  429.707    327.558  0.0000     0.0000   26.049  9.2498  ?       ?       0.000000       9.249771  
1 1 1 -21 57  20 o 25.477  9.1639  414.900    322.487  414.900    322.487  0.0000     0.0000   25.477  9.1639  ?       ?       0.000000       9.163859  
1 1 1 -21 57  21 f 33.691  9.8633  811.669    382.927  811.669    382.927  0.0000     0.0000   33.691  9.8633  ?       ?       0.000000       9.863297  
1 1 1 -21 57  22 o 23.036  9.5461  267.179    389.956  267.179    389.956  0.0000     0.0000   23.036  9.5461  ?       ?       0.000000       9.546089  
1 1 1 -21 58  1  o 38.956  7.7003  888.100    313.384  1213.37    426.874  507.857    461.538  45.163  9.0421  30.622  10.968  14.54076       14.21492  
1 1 1 -21 58  2  o 71.942  5.0805  2875.30    393.334  2856.74    538.831  2896.48    575.494  70.867  7.1162  71.134  7.5866  -0.2669067     10.40176  
1 1 1 -21 58  3  o 16.812  7.5080  -92.6891   278.915  -119.1795  363.513  -54.7708   434.911  19.072  8.5406  21.720  9.5539  -2.647861      12.81478  
1 1 1 -21 58  4  o 85.676  4.7710  4061.86    440.975  4239.24    597.733  3850.02    653.220  86.804  6.4029  82.178  7.4190  4.626068       9.799904  
1 1 1 -21 58  5  o 93.474  2.7921  4762.78    282.676  4549.59    311.220  5767.64    675.682  91.278  3.1480  101.415 6.1809  -10.13683      6.936345  
1 1 1 -21 58  6  o 20.091  1.1227  219.515    24.332   33.815     128.586  226.411    24.780   13.366  5.5050  20.405  1.1256  -7.038434      5.618913  
1 1 1 -21 58  7  o 34.514  4.5941  667.840    167.473  695.577    185.426  545.051    390.138  35.125  5.0165  30.662  10.118  4.463165       11.29326  
1 1 1 -21 58  8  o 89.452  3.0096  4368.39    291.583  4368.11    331.598  4369.35    612.284  89.342  3.4268  87.979  6.4709  1.363113       7.322212  
1 1 1 -21 58  9  o 35.141  4.7129  693.743    174.857  585.058    194.500  1151.77    399.283  31.913  5.8423  43.971  8.6919  -12.05820      10.47288  
1 1 1 -21 58  10 o 17.321  6.9695  89.322     200.495  103.670    239.615  55.823     366.134  18.785  7.5978  21.311  9.0648  -2.525623      11.82784  
1 1 1 -21 58  11 o 30.784  5.8452  547.633    187.765  656.171    213.518  177.354    394.375  33.695  6.0741  23.679  9.6835  10.01604       11.43082  
1 1 1 -21 58  12 f 14.606  6.4255  -36.5850   196.777  -136.0093  232.839  211.909    368.101  14.462  6.6180  23.611  9.4635  -9.148638      11.54795  
1 1 1 -21 58  13 o 40.936  5.3300  955.609    230.716  873.433    275.656  1147.83    421.595  38.492  6.8636  42.959  9.3282  -4.466915      11.58117  
1 1 1 -21 58  14 o 63.487  2.6358  2206.07    181.243  1924.31    317.658  2342.06    220.691  58.270  5.0841  65.276  3.1215  -7.006054      5.965863  
1 1 1 -21 58  15 o 42.723  5.9838  1067.16    269.298  1073.31    343.565  1057.34    433.672  41.784  7.8806  40.064  10.020  1.719990       12.74760  
1 1 1 -21 58  16 o 57.495  6.1671  1935.40    378.048  1935.40    378.048  0.0000     0.0000   57.495  6.1671  ?       ?       0.000000       6.167146  
1 1 1 -21 58  17 o 16.129  7.5452  -231.9898  328.486  -231.9898  328.486  0.0000     0.0000   16.129  7.5452  ?       ?       0.000000       7.545160  
1 1 1 -21 58  18 o 19.151  8.4932  -5.5450    350.602  -5.5450    350.602  0.0000     0.0000   19.151  8.4932  ?       ?       0.000000       8.493199  
1 1 1 -21 58  19 f 19.748  8.3933  106.603    313.422  106.603    313.422  0.0000     0.0000   19.748  8.3933  ?       ?       0.000000       8.393308  
1 1 1 -21 58  20 o 33.616  9.3239  777.806    351.366  777.806    351.366  0.0000     0.0000   33.616  9.3239  ?       ?       0.000000       9.323902  
1 1 1 -21 58  21 o 46.560  9.8501  1516.24    481.230  1516.24    481.230  0.0000     0.0000   46.560  9.8501  ?       ?       0.000000       9.850145  
1 1 1 -21 58  22 o 29.776  10.293  645.734    403.876  645.734    403.876  0.0000     0.0000   29.776  10.293  ?       ?       0.000000       10.29332  
1 1 1 -21 59  1  o 69.670  5.1103  2700.59    382.931  2680.46    527.537  2723.01    556.734  68.519  7.2170  68.883  7.5881  -0.3639526     10.47205  
1 1 1 -21 59  2  o 108.145 4.6269  6448.80    541.958  6244.35    753.189  6668.30    780.427  105.240 6.6418  108.755 6.6574  -3.515297      9.403994  
1 1 1 -21 59  3  o 79.556  4.8532  3508.38    416.187  3329.63    563.707  3722.57    617.059  76.620  6.8655  80.914  7.1132  -4.293991      9.886001  
1 1 1 -21 59  4  f 77.482  4.9300  3331.25    411.574  3251.34    553.708  3429.90    615.254  75.719  6.8249  77.474  7.4230  -1.754089      10.08366  
1 1 1 -21 59  5  o 54.716  1.8793  1626.27    111.375  1332.93    180.630  1806.19    141.467  49.251  3.4070  57.624  2.2667  -8.372295      4.092148  
1 1 1 -21 59  6  o 51.789  3.2842  1471.95    183.270  1455.80    198.308  1566.46    479.789  51.439  3.5817  51.417  8.9399  0.2191544E-01  9.630699  
1 1 1 -21 59  7  o 105.092 3.0015  6029.07    341.647  6133.06    388.805  5676.70    715.709  105.878 3.3904  100.247 6.6291  5.631584       7.445802  
1 1 1 -21 59  8  o 75.207  3.0995  3089.97    252.477  3156.03    286.082  2857.27    536.900  75.921  3.4790  70.717  7.1059  5.204063       7.911850  
1 1 1 -21 59  9  o 34.500  2.0875  649.639    77.636   842.949    199.382  615.091    84.289   38.732  4.8597  33.533  2.3353  5.199120       5.391685  
1 1 1 -21 59  10 f 37.638  2.4182  774.950    98.057   1216.97    279.374  712.845    104.719  46.324  5.6877  36.046  2.7019  10.27789       6.296815  
1 1 1 -21 59  11 o 9.3451  3.4723  37.015     46.882   655.820    228.968  9.9368     47.897   33.494  6.5462  8.0968  3.3497  25.39736       7.353446  
1 1 1 -21 59  12 o 75.875  3.4996  3165.72    287.602  3190.41    336.963  3099.48    551.945  75.846  4.1173  73.123  7.0566  2.722298       8.169948  
1 1 1 -21 59  13 o 36.907  5.9756  791.967    230.702  706.486    277.626  982.709    414.712  34.109  7.6976  39.276  9.7849  -5.166798      12.44978  
1 1 1 -21 59  14 o 42.191  5.4464  1025.14    243.076  1247.96    295.970  563.372    426.062  46.309  6.0450  30.003  10.560  16.30627       12.16819  
1 1 1 -21 59  15 o 27.284  8.3134  464.512    267.853  676.747    362.275  208.591    397.817  32.183  9.6377  23.367  9.6591  8.816063       13.64491  
1 1 1 -21 59  16 o 17.536  7.9017  -79.0045   316.572  -79.0045   316.572  0.0000     0.0000   17.536  7.9017  ?       ?       0.000000       7.901718  
1 1 1 -21 59  17 o 23.227  9.5287  231.460    383.377  231.460    383.377  0.0000     0.0000   23.227  9.5287  ?       ?       0.000000       9.528715  
1 1 1 -21 59  18 o 30.296  9.1440  609.180    325.173  609.180    325.173  0.0000     0.0000   30.296  9.1440  ?       ?       0.000000       9.143980  
1 1 1 -21 59  19 o 30.456  10.047  644.455    384.665  644.455    384.665  0.0000     0.0000   30.456  10.047  ?       ?       0.000000       10.04653  
1 1 1 -21 59  20 f 38.358  8.8509  987.027    360.241  987.027    360.241  0.0000     0.0000   38.358  8.8509  ?       ?       0.000000       8.850929  
1 1 1 -21 59  21 o 36.975  9.6029  959.660    388.011  959.660    388.011  0.0000     0.0000   36.975  9.6029  ?       ?       0.000000       9.602860  
1 1 1 -21 60  1  o 21.223  8.4134  160.001    287.831  -28.7499   388.687  389.184    428.298  20.828  9.0996  28.024  10.479  -7.195723      13.87843  
1 1 1 -21 60  2  o 88.277  4.7751  4315.61    454.865  4508.38    628.429  4103.47    659.229  89.385  6.5365  84.869  7.2409  4.515419       9.754799  
1 1 1 -21 60  3  o 116.246 4.6531  7455.83    585.861  7725.11    810.642  7161.40    847.662  117.204 6.4101  112.439 6.9951  4.764977       9.487952  
1 1 1 -21 60  4  o 80.609  4.8715  3604.12    423.327  3496.67    571.334  3734.92    630.358  78.534  6.7834  80.918  7.2700  -2.384476      9.943183  
1 1 1 -21 60  5  o 30.561  4.1263  522.210    133.091  521.592    138.653  529.448    474.627  30.499  4.3181  31.031  11.122  -0.5326328     11.93079  
1 1 1 -21 60  6  o 19.623  5.8910  217.671    135.229  212.258    141.215  277.490    469.421  19.487  6.0535  26.802  10.707  -7.315477      12.29939  
1 1 1 -21 60  7  o 21.512  1.3063  251.918    30.293   162.484    156.919  255.380    30.873   18.070  6.4037  21.658  1.3224  -3.587795      6.538802  
1 1 1 -21 60  8  o 62.938  3.3116  2173.64    224.956  2247.89    254.138  1904.91    483.498  63.908  3.6872  57.109  8.0391  6.799007       8.844370  
1 1 1 -21 60  9  o 105.306 3.1039  6064.61    354.022  6339.14    403.505  5146.71    737.822  107.534 3.4644  94.744  7.2449  12.79022       8.030665  
1 1 1 -21 60  10 f 133.808 3.7897  9848.72    549.231  10089.29   667.014  9342.14    967.915  134.964 4.5630  127.777 7.0207  7.186272       8.373251  
1 1 1 -21 60  11 o 109.479 3.2396  6573.02    384.144  6871.99    444.388  5689.15    764.091  111.742 3.6718  99.265  7.1548  12.47690       8.041972  
1 1 1 -21 60  12 o 50.226  2.4918  1377.76    135.553  1579.23    292.237  1322.53    153.009  52.817  5.1750  49.055  2.8926  3.761818       5.928532  
1 1 1 -21 60  13 o 38.641  5.5741  862.299    226.541  1073.08    268.713  344.362    421.219  43.018  5.9243  26.184  10.240  16.83461       11.83039  
1 1 1 -21 60  14 o 19.924  7.8600  167.397    250.073  7.9403     328.674  386.608    385.367  19.102  8.3561  26.262  9.9153  -7.159470      12.96678  
1 1 1 -21 60  15 o 19.980  8.7634  16.284     363.645  16.284     363.645  0.0000     0.0000   19.980  8.7634  ?       ?       0.000000       8.763430  
1 1 1 -21 60  16 o 21.045  8.7939  140.597    334.874  140.597    334.874  0.0000     0.0000   21.045  8.7939  ?       ?       0.000000       8.793880  
1 1 1 -21 60  17 o 25.191  9.9525  341.900    401.507  341.900    401.507  0.0000     0.0000   25.191  9.9525  ?       ?       0.000000       9.952538  
1 1 1 -21 60  18 o 20.088  8.7425  65.805     355.740  65.805     355.740  0.0000     0.0000   20.088  8.7425  ?       ?       0.000000       8.742500  
1 1 1 -21 60  19 o 35.486  9.5357  866.689    374.347  866.689    374.347  0.0000     0.0000   35.486  9.5357  ?       ?       0.000000       9.535672  
1 1 1 -21 60  20 o 26.229  9.7509  452.384    369.797  452.384    369.797  0.0000     0.0000   26.229  9.7509  ?       ?       0.000000       9.750898  
1 1 1 -21 60  21 o 22.996  9.4557  266.938    378.614  266.938    378.614  0.0000     0.0000   22.996  9.4557  ?       ?       0.000000       9.455729  
1 1 1 -21 61  1  o 33.726  8.4490  679.109    307.985  917.722    418.929  398.460    454.334  38.784  9.9300  28.510  10.766  10.27452       14.64592  
1 1 1 -21 61  2  o 87.023  4.7709  4195.44    447.965  3954.94    618.876  4460.13    649.251  83.465  6.9079  88.723  6.8082  -5.257408      9.699046  
1 1 1 -21 61  3  o 113.184 4.6540  7070.50    570.539  7344.05    788.724  6770.25    826.316  114.242 6.4000  109.259 7.0198  4.982727       9.499339  
1 1 1 -21 61  4  o 50.977  6.3125  1476.69    341.083  1703.82    451.049  1173.35    521.262  54.124  7.9294  43.445  11.051  10.67832       13.60182  
1 1 1 -21 61  5  o 40.277  1.1329  879.557    49.421   381.786    130.739  962.543    53.382   25.883  4.8415  42.133  1.1698  -16.24983      4.980860  
1 1 1 -21 61  6  o 66.602  3.0430  2422.93    219.516  2448.30    237.663  2275.60    572.778  66.904  3.2797  62.175  8.7474  4.728909       9.342048  
1 1 1 -21 61  7  o 59.999  3.2492  1975.06    210.361  1964.60    235.019  2017.19    471.763  59.739  3.6498  59.025  7.5525  0.7140465      8.388184  
1 1 1 -21 61  8  o 85.696  3.0115  4013.84    279.523  4135.56    316.704  3584.85    594.573  86.886  3.3654  79.137  7.0093  7.749397       7.775342  
1 1 1 -21 61  9  o 79.277  3.1411  3439.85    269.710  3505.60    306.780  3216.03    566.003  79.915  3.5443  74.787  7.0714  5.128082       7.909876  
1 1 1 -21 61  10 o 86.213  3.5646  4085.41    332.851  3954.24    398.973  4385.73    603.693  84.396  4.3797  87.701  6.3995  -3.305298      7.754750  
1 1 1 -21 61  11 o 40.459  5.0219  928.415    215.337  952.536    251.014  861.192    419.051  40.666  5.8689  36.776  10.176  3.889839       11.74716  
1 1 1 -21 61  12 o 20.461  7.3049  220.603    204.557  203.440    241.528  264.148    384.715  20.712  7.8425  24.429  9.7135  -3.717783      12.48428  
1 1 1 -21 61  13 o 14.663  3.0937  122.619    47.588   772.152    314.422  107.391    48.143   35.139  8.3793  13.690  3.2880  21.44848       9.001307  
1 1 1 -21 61  14 o 74.303  4.1757  3092.88    334.686  3656.97    420.943  2123.44    551.834  80.349  4.8599  58.056  9.0729  22.29297       10.29247  
1 1 1 -21 61  15 o 57.316  6.2064  1925.30    379.134  1925.30    379.134  0.0000     0.0000   57.316  6.2064  ?       ?       0.000000       6.206449  
1 1 1 -21 61  16 o 52.262  6.9337  1642.42    382.793  1642.42    382.793  0.0000     0.0000   52.262  6.9337  ?       ?       0.000000       6.933679  
1 1 1 -21 61  17 o 20.500  9.0627  23.544     396.123  23.544     396.123  0.0000     0.0000   20.500  9.0627  ?       ?       0.000000       9.062709  
1 1 1 -21 61  18 o 24.614  9.5508  347.034    364.208  347.034    364.208  0.0000     0.0000   24.614  9.5508  ?       ?       0.000000       9.550829  
1 1 1 -21 61  19 o 49.071  8.1241  1542.53    416.679  1542.53    416.679  0.0000     0.0000   49.071  8.1241  ?       ?       0.000000       8.124100  
1 1 1 -21 61  20 o 46.313  8.8924  1429.45    429.839  1429.45    429.839  0.0000     0.0000   46.313  8.8924  ?       ?       0.000000       8.892406  
1 1 1 -21 62  1  o 79.459  4.8870  3506.90    418.548  3435.33    579.473  3584.97    605.199  77.655  6.9636  79.248  7.1271  -1.593071      9.964253  
1 1 1 -21 62  2  o 78.951  4.9476  3464.11    420.947  3720.19    582.232  3183.67    609.309  80.987  6.6977  74.356  7.6761  6.630867       10.18735  
1 1 1 -21 62  3  o 117.702 4.6441  7651.78    592.047  7180.81    818.380  8168.92    857.556  112.640 6.7389  120.260 6.6091  -7.620041      9.438892  
1 1 1 -21 62  4  o 127.830 4.6762  9029.95    647.442  9415.33    907.915  8631.20    923.529  129.180 6.5100  123.332 6.9418  5.847618       9.516771  
1 1 1 -21 62  5  o 56.421  2.8583  1741.76    174.104  1591.90    184.266  2989.10    531.620  53.868  3.1722  72.405  6.8609  -18.53617      7.558738  
1 1 1 -21 62  6  o 58.126  3.1803  1853.29    199.464  1849.35    214.243  1878.98    546.517  58.005  3.4253  55.979  9.3431  2.025608       9.951212  
1 1 1 -21 62  7  o 61.609  3.2157  2082.86    213.831  2148.33    238.642  1816.19    481.616  62.486  3.5407  55.520  8.2607  6.965912       8.987554  
1 1 1 -21 62  8  o 32.873  1.9600  589.721    69.467   732.336    198.373  569.787    74.163   35.897  5.2581  32.288  2.1327  3.608959       5.674126  
1 1 1 -21 62  9  o ?       ?       -158.8499  25.035   155.375    188.350  -164.5013  25.259   18.521  6.9445  ?       ?       0.000000       6.944454  
1 1 1 -21 62  10 o 20.998  2.1707  242.744    48.656   540.880    238.657  229.814    49.700   30.003  7.3922  20.406  2.2881  9.596966       7.738186  
1 1 1 -21 62  11 o 64.909  3.5717  2329.83    250.135  2490.92    288.329  1839.76    502.901  66.951  3.9943  54.902  8.7510  12.04921       9.619484  
1 1 1 -21 62  12 o 24.157  7.3312  349.282    208.604  340.512    245.856  371.824    394.168  24.102  8.0358  26.282  10.003  -2.180117      12.83065  
1 1 1 -21 62  13 o 28.368  7.8626  499.023    249.955  521.810    318.411  462.432    403.487  28.775  9.1124  27.829  10.214  0.9462967      13.68823  
1 1 1 -21 62  14 o 42.105  7.9768  1095.68    350.458  1095.68    350.458  0.0000     0.0000   42.105  7.9768  ?       ?       0.000000       7.976847  
1 1 1 -21 62  15 o 35.575  8.7470  812.982    334.678  812.982    334.678  0.0000     0.0000   35.575  8.7470  ?       ?       0.000000       8.747037  
1 1 1 -21 62  16 o 49.265  8.1232  1516.51    418.338  1516.51    418.338  0.0000     0.0000   49.265  8.1232  ?       ?       0.000000       8.123192  
1 1 1 -21 62  17 o 35.042  10.541  864.925    432.628  864.925    432.628  0.0000     0.0000   35.042  10.541  ?       ?       0.000000       10.54061  
1 1 1 -21 62  18 o 28.298  9.8288  538.031    368.458  538.031    368.458  0.0000     0.0000   28.298  9.8288  ?       ?       0.000000       9.828815  
1 1 1 -21 62  19 o 21.192  9.0553  145.244    368.386  145.244    368.386  0.0000     0.0000   21.192  9.0553  ?       ?       0.000000       9.055333  
1 1 1 -21 62  20 f 39.433  9.8384  1091.76    418.825  1091.76    418.825  0.0000     0.0000   39.433  9.8384  ?       ?       0.000000       9.838398  
1 1 1 -21 63  1  o 27.950  8.8762  455.638    301.956  611.319    410.618  272.317    445.582  31.993  10.371  26.192  10.441  5.801058       14.71666  
1 1 1 -21 63  2  o 72.583  5.1228  2939.39    400.145  3211.17    551.528  2637.33    581.436  75.031  6.8627  67.250  8.1489  7.780983       10.65370  
1 1 1 -21 63  3  o 113.741 4.6303  7153.13    570.427  6731.40    786.919  7620.11    828.062  108.941 6.7016  115.995 6.6185  -7.053795      9.418885  
1 1 1 -21 63  4  o 85.995  4.8096  4108.57    446.182  4138.08    606.344  4073.72    658.924  85.361  6.6098  84.273  7.2908  1.087967       9.841023  
1 1 1 -21 63  5  o 57.497  5.7834  1867.66    355.282  1737.14    467.238  2046.56    547.034  54.335  8.1941  58.667  8.8872  -4.332047      12.08825  
1 1 1 -21 63  6  o 85.073  2.4849  3944.68    228.967  3767.61    287.359  4252.60    378.931  82.967  3.1978  87.890  3.9806  -4.923424      5.105986  
1 1 1 -21 63  7  o 86.425  2.7445  4078.38    256.903  4154.85    283.750  3730.70    605.052  87.160  3.0057  80.611  6.9994  6.549843       7.617497  
1 1 1 -21 63  8  o 72.654  3.0917  2890.57    243.293  2895.72    273.402  2870.99    533.291  72.613  3.4763  70.486  7.0812  2.127480       7.888453  
1 1 1 -21 63  9  o 99.172  3.1666  5394.48    340.135  5665.13    391.425  4559.98    687.320  101.460 3.5619  88.619  7.2237  12.84054       8.054114  
1 1 1 -21 63  10 o 80.904  3.6714  3611.45    321.719  3776.83    386.417  3237.81    580.802  82.325  4.3491  74.322  7.3096  8.002991       8.505622  
1 1 1 -21 63  11 o 38.261  1.4917  795.524    61.819   420.778    230.971  824.441    64.160   26.333  7.6463  38.948  1.5209  -12.61491      7.796065  
1 1 1 -21 63  12 o 10.428  3.2580  59.559     40.838   544.064    261.141  47.413     41.346   29.605  7.9681  9.6487  3.2951  19.95647       8.622601  
1 1 1 -21 63  13 o 35.058  8.5035  776.073    319.574  776.073    319.574  0.0000     0.0000   35.058  8.5035  ?       ?       0.000000       8.503463  
1 1 1 -21 63  14 o 46.372  6.8979  1287.20    335.902  1287.20    335.902  0.0000     0.0000   46.372  6.8979  ?       ?       0.000000       6.897894  
1 1 1 -21 63  15 o 54.245  6.8591  1762.51    393.987  1762.51    393.987  0.0000     0.0000   54.245  6.8591  ?       ?       0.000000       6.859100  
1 1 1 -21 63  16 o 46.772  8.3345  1383.21    406.739  1383.21    406.739  0.0000     0.0000   46.772  8.3345  ?       ?       0.000000       8.334540  
1 1 1 -21 63  17 o 27.027  9.5791  471.253    351.138  471.253    351.138  0.0000     0.0000   27.027  9.5791  ?       ?       0.000000       9.579082  
1 1 1 -21 63  18 o 16.020  7.5660  -266.7814  344.361  -266.7814  344.361  0.0000     0.0000   16.020  7.5660  ?       ?       0.000000       7.565988  
1 1 1 -21 63  19 o 52.530  7.7678  1748.20    428.626  1748.20    428.626  0.0000     0.0000   52.530  7.7678  ?       ?       0.000000       7.767767  
1 1 1 -21 63  20 o 22.576  9.5221  214.993    398.436  214.993    398.436  0.0000     0.0000   22.576  9.5221  ?       ?       0.000000       9.522103  
1 1 1 -21 64  1  o 90.649  4.7552  4566.39    465.254  4924.55    647.197  4183.36    669.295  93.167  6.4534  85.285  7.3164  7.881630       9.755862  
1 1 1 -21 64  2  f 60.788  5.6211  2082.26    365.902  2124.51    501.303  2034.08    535.296  60.329  7.8584  58.549  8.7062  1.780422       11.72826  
1 1 1 -21 64  3  o 32.013  8.6341  618.515    306.240  450.161    403.632  846.888    470.106  28.610  10.256  36.797  10.969  -8.186827      15.01730  
1 1 1 -21 64  4  o 23.050  1.6718  290.079    41.454   261.871    386.953  290.407    41.694   24.926  9.7951  23.062  1.6808  1.864017       9.938263  
1 1 1 -21 64  5  o 37.197  8.0925  828.634    316.756  1014.34    411.889  559.831    495.542  40.620  9.5269  31.364  11.349  9.255869       14.81741  
1 1 1 -21 64  6  o 50.989  3.3715  1431.91    185.142  1453.50    197.368  1273.65    534.326  51.321  3.5730  44.709  11.088  6.611641       11.64972  
1 1 1 -21 64  7  o 51.694  3.5577  1475.62    197.985  1411.79    216.212  1806.99    492.654  50.434  3.9907  54.938  8.5581  -4.504791      9.442803  
1 1 1 -21 64  8  o 65.648  3.2122  2364.79    228.402  2401.84    256.461  2222.73    502.197  65.956  3.6037  61.393  7.7234  4.563557       8.522730  
1 1 1 -21 64  9  o 52.242  3.8715  1516.40    217.505  1578.99    247.790  1306.25    454.022  53.144  4.3428  45.724  9.4790  7.420704       10.42647  
1 1 1 -21 64  10 o 46.300  4.8520  1213.96    239.702  1339.07    285.435  914.659    441.496  48.335  5.5531  37.396  10.480  10.93979       11.86018  
1 1 1 -21 64  11 o 37.848  6.0729  839.653    240.530  646.665    291.674  1249.86    425.238  32.169  8.3119  44.487  9.1312  -12.31833      12.34772  
1 1 1 -21 64  12 o 84.398  4.8036  4024.17    437.288  4024.17    437.288  0.0000     0.0000   84.398  4.8036  ?       ?       0.000000       4.803579  
1 1 1 -21 64  13 o 23.915  8.7385  320.384    294.844  320.384    294.844  0.0000     0.0000   23.915  8.7385  ?       ?       0.000000       8.738494  
1 1 1 -21 64  14 f 15.413  7.2710  -274.4476  316.387  -274.4476  316.387  0.0000     0.0000   15.413  7.2710  ?       ?       0.000000       7.271019  
1 1 1 -21 64  15 o 21.366  8.8731  160.447    337.945  160.447    337.945  0.0000     0.0000   21.366  8.8731  ?       ?       0.000000       8.873094  
1 1 1 -21 64  16 o 45.929  8.3054  1339.35    397.953  1339.35    397.953  0.0000     0.0000   45.929  8.3054  ?       ?       0.000000       8.305439  
1 1 1 -21 64  17 o 49.276  7.5204  1509.59    388.660  1509.59    388.660  0.0000     0.0000   49.276  7.5204  ?       ?       0.000000       7.520445  
1 1 1 -21 64  18 o 38.314  9.3103  997.434    382.563  997.434    382.563  0.0000     0.0000   38.314  9.3103  ?       ?       0.000000       9.310315  
1 1 1 -21 64  19 o 30.722  10.043  666.850    384.690  666.850    384.690  0.0000     0.0000   30.722  10.043  ?       ?       0.000000       10.04264  
1 1 1 -21 65  1  f 111.512 4.6689  6898.60    563.904  7086.28    789.782  6703.41    805.409  111.564 6.5650  108.218 6.9074  3.345375       9.529510  
1 1 1 -21 65  2  o 61.482  5.6007  2133.95    368.869  2304.84    506.484  1940.92    538.286  62.890  7.5890  56.822  9.0499  6.067715       11.81069  
1 1 1 -21 65  3  o 39.392  7.7295  921.917    318.007  1046.71    423.552  760.671    481.451  41.150  9.6674  34.911  11.221  6.238583       14.81110  
1 1 1 -21 65  4  o 22.431  8.6267  223.243    295.103  540.080    385.665  -224.3052  458.366  30.141  10.065  20.202  9.2595  9.939135       13.67630  
1 1 1 -21 65  5  o 41.502  1.9274  936.850    86.639   953.234    88.003   420.325    494.127  41.862  1.9409  28.880  11.147  12.98180       11.31510  
1 1 1 -21 65  6  o 38.541  3.8794  827.149    159.741  803.517    168.418  1038.92    504.161  37.900  4.1718  40.073  11.188  -2.172295      11.94046  
1 1 1 -21 65  7  o 5.3469  2.5328  -46.7292   39.129   303.273    164.929  -67.6041   40.279   22.726  6.4182  4.9690  2.4091  17.75700       6.855453  
1 1 1 -21 65  8  o 39.313  1.7238  840.429    73.399   684.876    193.300  866.635    79.341   34.527  5.3414  39.910  1.8355  -5.382824      5.647958  
1 1 1 -21 65  9  o 5.1480  2.2791  -8.4023    25.137   -56.2689   177.235  -7.4196    25.394   13.392  5.9827  5.2246  2.3029  8.167565       6.410597  
1 1 1 -21 65  10 o 79.881  4.5621  3583.35    393.072  3668.84    533.786  3482.09    580.983  79.619  6.2398  76.878  7.0561  2.741035       9.419368  
1 1 1 -21 65  11 o 93.595  3.8467  4864.56    389.953  4897.56    478.886  4799.63    671.807  93.194  4.7602  90.301  6.9215  2.893730       8.400409  
1 1 1 -21 65  12 o 57.919  5.5304  1929.48    342.717  1929.48    342.717  0.0000     0.0000   57.919  5.5304  ?       ?       0.000000       5.530356  
1 1 1 -21 65  13 o 76.656  5.1496  3351.81    425.069  3351.81    425.069  0.0000     0.0000   76.656  5.1496  ?       ?       0.000000       5.149563  
1 1 1 -21 65  14 o 20.484  8.5092  136.275    310.925  136.275    310.925  0.0000     0.0000   20.484  8.5092  ?       ?       0.000000       8.509185  
1 1 1 -21 65  15 o 49.400  6.8705  1471.27    357.655  1471.27    357.655  0.0000     0.0000   49.400  6.8705  ?       ?       0.000000       6.870536  
1 1 1 -21 65  16 f 22.834  9.3856  228.661    372.840  228.661    372.840  0.0000     0.0000   22.834  9.3856  ?       ?       0.000000       9.385588  
1 1 1 -21 65  17 o 27.745  9.3719  510.224    334.421  510.224    334.421  0.0000     0.0000   27.745  9.3719  ?       ?       0.000000       9.371864  
1 1 1 -21 65  18 o 46.798  8.1862  1408.38    399.828  1408.38    399.828  0.0000     0.0000   46.798  8.1862  ?       ?       0.000000       8.186244  
1 1 1 -21 65  19 o 23.491  9.4254  295.867    365.569  295.867    365.569  0.0000     0.0000   23.491  9.4254  ?       ?       0.000000       9.425437  
1 1 1 -21 66  1  o 39.828  1.6075  861.782    69.346   193.018    426.971  879.901    70.279   24.339  10.029  40.244  1.6123  -15.90494      10.15742  
1 1 1 -21 66  2  o 29.788  2.0909  485.428    67.031   476.338    67.744   910.560    463.280  29.500  2.1347  37.747  10.791  -8.247236      10.99980  
1 1 1 -21 66  3  o 43.586  7.1604  1116.38    326.284  1254.79    434.665  937.706    493.852  45.213  9.1894  38.128  11.212  7.084660       14.49687  
1 1 1 -21 66  4  o 50.872  6.3359  1490.75    341.542  1741.22    454.927  1167.21    517.039  54.136  7.9996  42.471  11.112  11.66545       13.69194  
1 1 1 -21 66  5  o 20.416  2.2257  229.820    48.420   221.979    48.670   985.428    477.762  20.052  2.2816  39.055  10.887  -19.00366      11.12308  
1 1 1 -21 66  6  o 73.616  2.9605  2969.43    236.049  2866.59    256.194  3547.32    607.297  72.236  3.2745  77.940  7.2783  -5.703323      7.980953  
1 1 1 -21 66  7  o 99.112  2.9910  5387.56    321.084  5147.83    356.228  6425.83    741.361  96.704  3.4010  105.623 6.5122  -8.918343      7.346797  
1 1 1 -21 66  8  o 58.957  3.4650  1922.88    220.290  2015.87    248.243  1578.31    477.843  60.234  3.8249  50.410  9.0861  9.824608       9.858390  
1 1 1 -21 66  9  o 15.648  6.4667  57.593     178.236  -5.7343    202.129  278.962    377.911  15.204  6.6035  24.421  9.6533  -9.216145      11.69585  
1 1 1 -21 66  10 o 50.072  5.6034  1444.43    298.679  1540.24    395.754  1317.64    455.262  50.630  7.4387  45.343  9.5707  5.286903       12.12151  
1 1 1 -21 66  11 o 69.881  5.0152  2772.35    377.070  2772.35    377.070  0.0000     0.0000   69.881  5.0152  ?       ?       0.000000       5.015193  
1 1 1 -21 66  12 o 82.756  5.0165  3890.06    447.527  3890.06    447.527  0.0000     0.0000   82.756  5.0165  ?       ?       0.000000       5.016529  
1 1 1 -21 66  13 o 36.824  8.0511  849.726    312.155  849.726    312.155  0.0000     0.0000   36.824  8.0511  ?       ?       0.000000       8.051092  
1 1 1 -21 66  14 o 58.649  5.5677  1993.72    349.439  1993.72    349.439  0.0000     0.0000   58.649  5.5677  ?       ?       0.000000       5.567708  
1 1 1 -21 66  15 o 63.310  6.0922  2361.35    412.594  2361.35    412.594  0.0000     0.0000   63.310  6.0922  ?       ?       0.000000       6.092205  
1 1 1 -21 66  16 o 30.783  9.2063  634.682    330.733  634.682    330.733  0.0000     0.0000   30.783  9.2063  ?       ?       0.000000       9.206279  
1 1 1 -21 66  17 o 46.657  7.8929  1379.80    384.633  1379.80    384.633  0.0000     0.0000   46.657  7.8929  ?       ?       0.000000       7.892851  
1 1 1 -21 66  18 o 19.258  8.4216  49.847     333.592  49.847     333.592  0.0000     0.0000   19.258  8.4216  ?       ?       0.000000       8.421572  
1 1 1 -21 67  1  o 111.247 4.6887  6899.99    564.953  7003.67    791.853  6792.50    806.272  110.320 6.6583  108.401 6.9031  1.918373       9.590878  
1 1 1 -21 67  2  o 43.958  2.3188  1056.81    110.009  1054.78    112.954  1094.36    484.939  43.903  2.3843  41.126  10.762  2.776604       11.02303  
1 1 1 -21 67  3  o 49.149  6.5440  1402.72    339.699  1697.57    453.192  1024.63    513.198  53.243  8.1152  39.479  11.379  13.76467       13.97606  
1 1 1 -21 67  4  o 26.046  8.9247  392.249    303.309  406.836    397.479  371.915    469.301  27.269  10.115  27.508  10.794  -0.2398376     14.79289  
1 1 1 -21 67  5  o 28.323  1.4337  436.785    43.836   439.800    44.022   82.389     477.285  28.420  1.4348  23.599  10.198  4.821312       10.29867  
1 1 1 -21 67  6  o 10.986  4.8707  -33.1124   115.211  -25.3536   118.844  -154.2166  469.526  11.345  4.9921  20.820  9.4772  -9.475067      10.71164  
1 1 1 -21 67  7  o 27.476  5.6633  442.908    162.931  461.569    172.555  289.493    494.763  27.990  5.8789  26.359  10.820  1.631046       12.31438  
1 1 1 -21 67  8  o 44.340  4.6084  1111.71    218.085  1246.95    251.598  703.054    437.350  46.797  5.0436  32.831  10.707  13.96618       11.83525  
1 1 1 -21 67  9  o 24.276  7.0737  355.005    197.366  402.612    228.189  213.628    393.234  25.714  7.6373  23.538  9.6527  2.175556       12.30862  
1 1 1 -21 67  10 o 64.103  6.4492  2402.19    441.694  2402.19    441.694  0.0000     0.0000   64.103  6.4492  ?       ?       0.000000       6.449189  
1 1 1 -21 67  11 o 90.463  4.8360  4627.19    472.120  4627.19    472.120  0.0000     0.0000   90.463  4.8360  ?       ?       0.000000       4.836010  
1 1 1 -21 67  12 o 34.731  8.5022  766.275    317.251  766.275    317.251  0.0000     0.0000   34.731  8.5022  ?       ?       0.000000       8.502227  
1 1 1 -21 67  13 o 65.749  5.4584  2491.68    385.192  2491.68    385.192  0.0000     0.0000   65.749  5.4584  ?       ?       0.000000       5.458354  
1 1 1 -21 67  14 o 15.152  7.0306  -172.0656  276.030  -172.0656  276.030  0.0000     0.0000   15.152  7.0306  ?       ?       0.000000       7.030554  
1 1 1 -21 67  15 o 42.032  8.0930  1118.85    355.064  1118.85    355.064  0.0000     0.0000   42.032  8.0930  ?       ?       0.000000       8.092957  
1 1 1 -21 67  16 o 27.950  9.4369  517.211    339.078  517.211    339.078  0.0000     0.0000   27.950  9.4369  ?       ?       0.000000       9.436925  
1 1 1 -21 67  17 o 29.000  9.4350  569.835    339.696  569.835    339.696  0.0000     0.0000   29.000  9.4350  ?       ?       0.000000       9.435015  
1 1 1 -21 67  18 o 36.877  9.4875  933.532    381.128  933.532    381.128  0.0000     0.0000   36.877  9.4875  ?       ?       0.000000       9.487464  
1 1 1 -21 68  1  o 52.220  6.2769  1580.07    347.904  1696.31    480.138  1451.58    504.810  52.629  8.7289  47.696  10.087  4.932819       13.33941  
1 1 1 -21 68  2  o 31.152  8.8102  603.809    310.547  701.489    418.126  483.640    463.771  33.100  10.438  29.119  10.901  3.981400       15.09258  
1 1 1 -21 68  3  o 33.544  8.5819  698.939    313.064  646.862    415.427  767.385    476.261  31.953  10.436  34.332  11.172  -2.379017      15.28769  
1 1 1 -21 68  4  o 17.938  7.8478  -12.6731   289.979  72.141     377.720  -134.4089  452.527  21.353  9.1478  20.612  9.3521  0.7408466      13.08224  
1 1 1 -21 68  5  o 66.742  3.0807  2447.38    222.699  2460.09    251.858  2401.83    476.807  66.691  3.4990  63.949  6.9982  2.741539       7.824118  
1 1 1 -21 68  6  o 60.581  2.0610  2000.88    135.232  1553.22    222.700  2262.38    170.207  52.781  3.9236  64.332  2.4428  -11.55024      4.621881  
1 1 1 -21 68  7  o 19.460  6.6872  207.551    170.340  283.252    181.865  -333.6267  486.258  21.975  6.8769  19.476  9.1330  2.499289       11.43255  
1 1 1 -21 68  8  o 50.390  4.8302  1439.81    260.391  1439.81    260.391  0.0000     0.0000   50.390  4.8302  ?       ?       0.000000       4.830178  
1 1 1 -21 68  9  o 45.420  5.9317  1199.89    284.842  1199.89    284.842  0.0000     0.0000   45.420  5.9317  ?       ?       0.000000       5.931715  
1 1 1 -21 68  10 o 22.576  8.7485  246.858    305.272  246.858    305.272  0.0000     0.0000   22.576  8.7485  ?       ?       0.000000       8.748489  
1 1 1 -21 68  11 o 56.450  5.8454  1849.02    352.217  1849.02    352.217  0.0000     0.0000   56.450  5.8454  ?       ?       0.000000       5.845411  
1 1 1 -21 68  12 o 27.476  8.8106  475.706    296.960  475.706    296.960  0.0000     0.0000   27.476  8.8106  ?       ?       0.000000       8.810637  
1 1 1 -21 68  13 o 39.088  8.0971  961.249    331.524  961.249    331.524  0.0000     0.0000   39.088  8.0971  ?       ?       0.000000       8.097085  
1 1 1 -21 68  14 o 27.510  9.0998  487.401    315.504  487.401    315.504  0.0000     0.0000   27.510  9.0998  ?       ?       0.000000       9.099799  
1 1 1 -21 68  15 o 24.004  8.9905  334.612    315.522  334.612    315.522  0.0000     0.0000   24.004  8.9905  ?       ?       0.000000       8.990518  
1 1 1 -21 68  16 o 54.985  6.0126  1795.45    352.241  1795.45    352.241  0.0000     0.0000   54.985  6.0126  ?       ?       0.000000       6.012588  
1 1 1 -21 68  17 o 16.029  7.5070  -215.5647  326.719  -215.5647  326.719  0.0000     0.0000   16.029  7.5070  ?       ?       0.000000       7.506968  
1 1 1 -21 69  1  o 37.336  10.883  927.520    467.093  0.0000     0.0000   927.520    467.093  ?       ?       37.336  10.883  0.000000       10.88290  
1 1 1 -21 69  2  o 48.645  9.9643  1515.55    507.335  0.0000     0.0000   1515.55    507.335  ?       ?       48.645  9.9643  0.000000       9.964307  
1 1 1 -21 69  3  o 47.578  10.281  1465.84    514.329  0.0000     0.0000   1465.84    514.329  ?       ?       47.578  10.281  0.000000       10.28095  
1 1 1 -21 69  4  o 21.466  9.5801  -44.8359   453.288  0.0000     0.0000   -44.8359   453.288  ?       ?       21.466  9.5801  0.000000       9.580107  
1 1 1 -21 69  5  o 60.347  8.9764  2255.87    568.851  0.0000     0.0000   2255.87    568.851  ?       ?       60.347  8.9764  0.000000       8.976395  
1 1 1 -21 69  6  o 51.971  4.6874  1526.17    261.013  1497.90    298.226  1618.72    539.586  51.105  5.4729  49.895  10.325  1.209930       11.68582  
1 1 1 -21 69  7  o 44.533  4.7977  1125.99    227.759  1125.99    227.759  0.0000     0.0000   44.533  4.7977  ?       ?       0.000000       4.797666  
1 1 1 -21 69  8  o 12.472  5.8040  -149.6980  190.339  -149.6980  190.339  0.0000     0.0000   12.472  5.8040  ?       ?       0.000000       5.803981  
1 1 1 -21 69  9  f 41.597  6.3985  1021.38    279.036  1021.38    279.036  0.0000     0.0000   41.597  6.3985  ?       ?       0.000000       6.398481  
1 1 1 -21 69  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 69  11 o 53.350  5.9287  1658.98    336.787  1658.98    336.787  0.0000     0.0000   53.350  5.9287  ?       ?       0.000000       5.928722  
1 1 1 -21 69  12 o 26.730  9.2002  444.623    322.481  444.623    322.481  0.0000     0.0000   26.730  9.2002  ?       ?       0.000000       9.200210  
1 1 1 -21 69  13 f 25.300  9.0779  386.835    316.286  386.835    316.286  0.0000     0.0000   25.300  9.0779  ?       ?       0.000000       9.077936  
1 1 1 -21 69  14 o 19.526  8.2489  102.696    299.776  102.696    299.776  0.0000     0.0000   19.526  8.2489  ?       ?       0.000000       8.248881  
1 1 1 -21 69  15 o 16.313  7.5097  -139.7583  306.018  -139.7583  306.018  0.0000     0.0000   16.313  7.5097  ?       ?       0.000000       7.509739  
1 1 1 -21 69  16 o 22.809  9.0716  266.514    335.632  266.514    335.632  0.0000     0.0000   22.809  9.0716  ?       ?       0.000000       9.071627  
1 1 1 -21 69  17 o 61.073  5.9167  2208.17    386.473  2208.17    386.473  0.0000     0.0000   61.073  5.9167  ?       ?       0.000000       5.916669  
1 1 1 -21 70  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  2  o 32.755  11.111  701.990    470.086  0.0000     0.0000   701.990    470.086  ?       ?       32.755  11.111  0.000000       11.11116  
1 1 1 -21 70  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  9  o 18.153  7.5086  92.155     240.615  92.155     240.615  0.0000     0.0000   18.153  7.5086  ?       ?       0.000000       7.508564  
1 1 1 -21 70  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 70  11 o 34.186  8.3511  742.418    306.563  742.418    306.563  0.0000     0.0000   34.186  8.3511  ?       ?       0.000000       8.351076  
1 1 1 -21 70  12 o 76.389  5.1414  3343.44    422.907  3343.44    422.907  0.0000     0.0000   76.389  5.1414  ?       ?       0.000000       5.141394  
1 1 1 -21 70  13 o 54.346  6.9117  1782.04    397.633  1782.04    397.633  0.0000     0.0000   54.346  6.9117  ?       ?       0.000000       6.911685  
1 1 1 -21 70  14 o 30.059  9.4527  604.761    343.149  604.761    343.149  0.0000     0.0000   30.059  9.4527  ?       ?       0.000000       9.452661  
1 1 1 -21 70  15 o 27.554  8.5742  495.092    283.165  495.092    283.165  0.0000     0.0000   27.554  8.5742  ?       ?       0.000000       8.574198  
1 1 1 -21 70  16 o 31.909  9.3704  691.888    345.137  691.888    345.137  0.0000     0.0000   31.909  9.3704  ?       ?       0.000000       9.370368  
1 1 1 -21 71  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 71  12 o 30.917  8.8991  624.326    314.088  624.326    314.088  0.0000     0.0000   30.917  8.8991  ?       ?       0.000000       8.899058  
1 1 1 -21 71  13 o 55.810  6.3249  1851.59    375.575  1851.59    375.575  0.0000     0.0000   55.810  6.3249  ?       ?       0.000000       6.324855  
1 1 1 -21 71  14 o 18.074  8.0703  -29.5341   322.105  -29.5341   322.105  0.0000     0.0000   18.074  8.0703  ?       ?       0.000000       8.070267  
1 1 1 -21 71  15 o 31.177  9.5888  661.538    355.319  661.538    355.319  0.0000     0.0000   31.177  9.5888  ?       ?       0.000000       9.588752  
1 1 1 -21 71  16 f 18.956  8.3438  22.662     332.209  22.662     332.209  0.0000     0.0000   18.956  8.3438  ?       ?       0.000000       8.343794  
1 1 1 -21 72  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 72  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 73  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 74  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 75  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 76  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 77  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 78  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 79  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 80  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 81  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 81  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 81  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 81  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -21 81  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   1  o 222.733 5.9975  26979.12   1444.48  26979.12   1444.48  26979.12   1444.48  222.733 5.9975  222.733 5.9975  -0.000000      0.000000  
1 1 1 -20 0   2  o 144.015 4.6818  11281.28   728.539  11281.28   728.539  11281.28   728.539  144.015 4.6818  144.015 4.6818  0.000000       0.000000  
1 1 1 -20 0   3  o 245.072 6.4143  32667.70   1699.96  32667.70   1699.96  32667.70   1699.96  245.072 6.4143  245.072 6.4143  -0.000000      0.000000  
1 1 1 -20 0   4  o 78.542  5.0890  3387.46    428.746  3387.46    428.746  3387.46    428.746  78.542  5.0890  78.542  5.0890  0.000000       0.000000  
1 1 1 -20 0   5  o 268.949 6.9385  39358.79   2018.14  39358.79   2018.14  39358.79   2018.14  268.949 6.9385  268.949 6.9385  -0.000000      0.000000  
1 1 1 -20 0   6  o 159.632 4.9855  13860.59   860.082  13860.59   860.082  13860.59   860.082  159.632 4.9855  159.632 4.9855  -0.000000      0.000000  
1 1 1 -20 0   7  o 16.147  9.2942  177.623    260.624  177.623    260.624  177.623    260.624  16.147  9.2942  16.147  9.2942  0.000000       0.000000  
1 1 1 -20 0   8  o 23.282  10.629  429.282    291.490  429.282    291.490  429.282    291.490  23.282  10.629  23.282  10.629  0.000000       0.000000  
1 1 1 -20 0   9  o 207.849 5.5925  23498.28   1256.93  23498.28   1256.93  23498.28   1256.93  207.849 5.5925  207.849 5.5925  0.000000       0.000000  
1 1 1 -20 0   10 o 174.120 5.1841  16496.56   975.710  16496.56   975.710  16496.56   975.710  174.120 5.1841  174.120 5.1841  0.000000       0.000000  
1 1 1 -20 0   11 o 118.357 4.8576  7640.02    620.330  7640.02    620.330  7640.02    620.330  118.357 4.8576  118.357 4.8576  -0.000000      0.000000  
1 1 1 -20 0   12 o 19.920  10.351  316.388    289.959  316.388    289.959  316.388    289.959  19.920  10.351  19.920  10.351  -0.000000      0.000000  
1 1 1 -20 0   13 o 101.464 4.3823  5618.91    479.552  5618.91    479.552  5618.91    479.552  101.464 4.3823  101.464 4.3823  -0.000000      0.000000  
1 1 1 -20 0   14 f 72.849  4.6095  2916.64    360.368  2916.64    360.368  2916.64    360.368  72.849  4.6095  72.849  4.6095  0.000000       0.000000  
1 1 1 -20 0   15 o 126.828 4.4887  8772.50    614.854  8772.50    614.854  8772.50    614.854  126.828 4.4887  126.828 4.4887  -0.000000      0.000000  
1 1 1 -20 0   16 o 86.951  4.4634  4142.49    417.822  4142.49    417.822  4142.49    417.822  86.951  4.4634  86.951  4.4634  0.000000       0.000000  
1 1 1 -20 0   17 o 47.894  6.6821  1324.04    327.317  1324.04    327.317  1324.04    327.317  47.894  6.6821  47.894  6.6821  0.000000       0.000000  
1 1 1 -20 0   18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   23 o 68.856  5.3510  2651.59    393.527  2651.59    393.527  2651.59    393.527  68.856  5.3510  68.856  5.3510  -0.000000      0.000000  
1 1 1 -20 0   24 o 13.847  8.9092  27.392     306.746  27.392     306.746  27.392     306.746  13.847  8.9092  13.847  8.9092  -0.000000      0.000000  
1 1 1 -20 0   25 f 77.957  5.1563  3393.97    431.002  3393.97    431.002  3393.97    431.002  77.957  5.1563  77.957  5.1563  0.000000       0.000000  
1 1 1 -20 0   26 o 109.083 5.2938  6647.59    622.098  6647.59    622.098  6647.59    622.098  109.083 5.2938  109.083 5.2938  -0.000000      0.000000  
1 1 1 -20 0   27 o 8.6308  6.2082  -450.9257  283.928  -450.9257  283.928  -450.9257  283.928  8.6308  6.2082  8.6308  6.2082  -0.000000      0.000000  
1 1 1 -20 0   28 o 13.338  8.6986  26.085     306.245  26.085     306.245  26.085     306.245  13.338  8.6986  13.338  8.6986  0.000000       0.000000  
1 1 1 -20 0   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 0   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 1   1  o 231.296 4.2721  29031.45   1070.23  29506.87   1515.60  28558.62   1511.48  232.949 6.0070  229.162 6.0896  3.786514       8.553768  
1 1 1 -20 1   2  o 182.299 3.6692  18024.54   724.474  18056.54   1024.50  17992.53   1024.62  182.323 5.1880  181.999 5.1978  0.3245239      7.343919  
1 1 1 -20 1   3  o 131.027 3.1958  9308.03    453.532  9350.75    641.201  9265.27    641.582  131.252 4.5104  130.649 4.5339  0.6028290      6.395342  
1 1 1 -20 1   4  o 249.337 4.5831  33747.81   1237.70  32291.91   1749.48  35206.68   1751.26  243.583 6.6312  254.390 6.3560  -10.80713      9.185371  
1 1 1 -20 1   5  o 167.851 3.5139  15279.42   638.834  15447.55   903.114  15111.03   903.781  168.655 4.9439  166.803 5.0025  1.852707       7.033339  
1 1 1 -20 1   6  o 231.259 4.2889  29025.64   1074.28  29307.86   1518.98  28743.21   1519.53  232.132 6.0415  229.875 6.1030  2.257126       8.587612  
1 1 1 -20 1   7  o 70.268  3.3530  2677.73    255.190  2579.16    359.797  2777.50    362.000  68.739  4.8640  71.363  4.7099  -2.623451      6.770691  
1 1 1 -20 1   8  o 95.997  3.2465  4997.64    337.557  4607.73    469.340  5415.46    485.842  91.984  4.7269  99.865  4.4917  -7.881561      6.520645  
1 1 1 -20 1   9  o 71.287  3.7433  2765.11    288.010  2618.76    405.769  2913.70    408.865  69.180  5.4598  73.027  5.2032  -3.847389      7.542075  
1 1 1 -20 1   10 o 194.678 3.9047  20573.30   823.329  21197.68   1163.92  19947.97   1164.81  197.389 5.4442  191.454 5.6172  5.935318       7.822518  
1 1 1 -20 1   11 o 213.700 4.1784  24807.03   967.121  24893.14   1373.46  24722.35   1362.04  213.740 5.9328  213.012 5.9036  0.7280884      8.369604  
1 1 1 -20 1   12 o 93.308  3.4447  4726.13    348.130  4495.53    513.434  4922.37    473.630  90.712  5.2482  95.137  4.5964  -4.425407      6.976417  
1 1 1 -20 1   13 o 92.789  2.8728  4671.68    288.718  4971.56    384.968  4286.16    436.486  95.658  3.7156  88.631  4.5624  7.026855       5.883968  
1 1 1 -20 1   14 o 121.261 3.1325  7984.54    411.421  8237.51    581.755  7731.44    581.919  123.011 4.3664  119.152 4.5091  3.859093       6.276774  
1 1 1 -20 1   15 o 108.899 3.0950  6442.59    365.055  6640.23    517.599  6246.97    514.943  110.390 4.3290  107.054 4.4410  3.335991       6.201887  
1 1 1 -20 1   16 o 137.622 3.2846  10300.37   489.598  9939.28    692.072  10662.13   692.720  134.881 4.7373  139.740 4.5768  -4.859299      6.587066  
1 1 1 -20 1   17 o 157.474 4.9572  13579.62   845.510  13579.62   845.510  0.0000     0.0000   157.474 4.9572  ?       ?       0.000000       4.957234  
1 1 1 -20 1   18 o 123.005 4.5078  8279.73    600.567  8279.73    600.567  0.0000     0.0000   123.005 4.5078  ?       ?       0.000000       4.507828  
1 1 1 -20 1   19 o 27.709  10.179  371.431    400.833  371.431    400.833  0.0000     0.0000   27.709  10.179  ?       ?       0.000000       10.17910  
1 1 1 -20 1   20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 1   21 o 52.890  8.6269  1636.10    477.154  0.0000     0.0000   1636.10    477.154  ?       ?       52.890  8.6269  0.000000       8.626880  
1 1 1 -20 1   22 o 62.787  5.5462  2210.05    373.290  0.0000     0.0000   2210.05    373.290  ?       ?       62.787  5.5462  0.000000       5.546229  
1 1 1 -20 1   23 o 52.920  6.8056  1612.59    381.040  0.0000     0.0000   1612.59    381.040  ?       ?       52.920  6.8056  0.000000       6.805570  
1 1 1 -20 1   24 o 49.444  6.6984  1417.51    349.486  0.0000     0.0000   1417.51    349.486  ?       ?       49.444  6.6984  0.000000       6.698361  
1 1 1 -20 1   25 o 43.019  1.8910  1007.22    88.109   1029.22    91.811   750.827    313.454  43.480  1.9496  34.932  8.3901  8.547516       8.613593  
1 1 1 -20 1   26 o 49.287  5.2783  1393.59    277.390  1392.26    474.646  1394.28    341.842  46.357  9.7618  48.514  6.6830  -2.157303      11.83027  
1 1 1 -20 1   27 f 24.933  8.1764  394.062    254.923  572.889    450.540  309.851    309.173  29.004  10.767  23.312  8.8620  5.692114       13.94484  
1 1 1 -20 1   28 o 39.853  2.7957  883.112    119.914  828.725    127.886  1279.00    345.035  38.488  3.0940  44.972  7.3365  -6.484333      7.962198  
1 1 1 -20 1   29 o 19.819  9.1907  -86.8349   470.742  -86.8349   470.742  0.0000     0.0000   19.819  9.1907  ?       ?       0.000000       9.190714  
1 1 1 -20 1   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 1   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 2   1  o 180.800 3.6848  17729.79   721.580  16977.52   1016.96  18492.53   1024.02  176.777 5.3113  184.517 5.1239  -7.739243      7.380034  
1 1 1 -20 2   2  f 100.561 3.0392  5482.12    331.022  5618.23    460.507  5336.61    476.157  101.755 4.1784  99.159  4.4335  2.595253       6.092211  
1 1 1 -20 2   3  o 100.800 3.1740  5508.77    346.526  5413.36    492.696  5602.17    487.469  99.863  4.5551  101.597 4.4299  -1.733093      6.354029  
1 1 1 -20 2   4  o 282.840 5.0228  43447.30   1538.70  42645.60   2175.19  44250.27   2176.92  279.802 7.1775  285.047 7.0511  -5.244537      10.06156  
1 1 1 -20 2   5  o 591.187 9.8988  191409.70  6338.37  192955.41  8963.77  189863.91  8963.85  590.264 14.021  585.409 14.137  4.855652       19.91094  
1 1 1 -20 2   6  o 173.303 3.5778  16289.67   671.574  15715.68   948.867  16865.79   950.635  170.085 5.1507  176.216 4.9808  -6.131653      7.165082  
1 1 1 -20 2   7  o 88.271  3.2137  4225.08    307.255  4566.23    432.427  3877.23    436.654  91.716  4.3531  84.357  4.7989  7.359077       6.479112  
1 1 1 -20 2   8  o 98.631  3.2190  5275.57    343.884  5541.54    491.021  5019.54    481.762  101.021 4.4876  96.138  4.6267  4.883698       6.445538  
1 1 1 -20 2   9  o 114.859 3.1736  7154.72    394.808  6996.69    557.130  7314.13    559.564  113.499 4.5320  116.051 4.4517  -2.552094      6.352753  
1 1 1 -20 2   10 o 69.498  3.7448  2628.99    280.844  2659.96    392.521  2596.50    401.995  69.741  5.2346  68.873  5.4331  0.8679733      7.544508  
1 1 1 -20 2   11 o 82.488  3.4459  3692.52    307.864  3640.30    424.096  3750.70    447.627  81.681  4.8150  82.890  5.0094  -1.208504      6.948294  
1 1 1 -20 2   12 o 92.078  3.2550  4601.23    324.618  4514.75    383.805  4818.55    608.444  91.167  3.8869  93.798  6.0208  -2.630539      7.166476  
1 1 1 -20 2   13 o 72.936  3.4594  2888.99    273.280  2867.34    313.688  2957.15    556.634  72.517  4.0094  73.126  7.1182  -0.6083374     8.169676  
1 1 1 -20 2   14 o 16.908  6.5737  97.950     172.799  101.103    241.227  94.626     247.649  19.166  7.6683  19.229  7.7428  -0.6326866E-01 10.89744  
1 1 1 -20 2   15 o 150.616 4.7724  12377.90   778.530  12377.90   778.530  0.0000     0.0000   150.616 4.7724  ?       ?       0.000000       4.772361  
1 1 1 -20 2   16 o 89.296  4.3907  4350.96    424.655  4350.96    424.655  0.0000     0.0000   89.296  4.3907  ?       ?       0.000000       4.390711  
1 1 1 -20 2   17 o 70.226  4.9623  2713.70    375.013  2713.70    375.013  0.0000     0.0000   70.226  4.9623  ?       ?       0.000000       4.962313  
1 1 1 -20 2   18 o 84.524  4.4796  3919.72    408.639  3919.72    408.639  0.0000     0.0000   84.524  4.4796  ?       ?       0.000000       4.479618  
1 1 1 -20 2   19 o 57.824  5.1910  1853.75    321.646  1853.75    321.646  0.0000     0.0000   57.824  5.1910  ?       ?       0.000000       5.190966  
1 1 1 -20 2   20 o 80.513  3.5106  3540.23    306.141  3370.36    418.278  3736.22    449.280  78.079  4.9720  82.189  5.0718  -4.110619      7.102326  
1 1 1 -20 2   21 o 51.230  6.3125  1485.11    342.853  0.0000     0.0000   1485.11    342.853  ?       ?       51.230  6.3125  0.000000       6.312474  
1 1 1 -20 2   22 o 40.204  7.8305  951.035    328.719  0.0000     0.0000   951.035    328.719  ?       ?       40.204  7.8305  0.000000       7.830530  
1 1 1 -20 2   23 o 58.872  5.4488  1950.68    343.500  0.0000     0.0000   1950.68    343.500  ?       ?       58.872  5.4488  0.000000       5.448818  
1 1 1 -20 2   24 o 31.446  8.4522  602.708    294.068  0.0000     0.0000   602.708    294.068  ?       ?       31.446  8.4522  0.000000       8.452227  
1 1 1 -20 2   25 o 25.222  8.8041  361.039    295.810  0.0000     0.0000   361.039    295.810  ?       ?       25.222  8.8041  0.000000       8.804084  
1 1 1 -20 2   26 o 60.110  5.6765  2083.47    365.195  0.0000     0.0000   2083.47    365.195  ?       ?       60.110  5.6765  0.000000       5.676538  
1 1 1 -20 2   27 f 18.672  7.6920  123.233    251.129  826.793    452.691  -189.5364  301.831  33.758  10.884  15.610  7.2794  18.14794       13.09384  
1 1 1 -20 2   28 o 29.915  1.8384  491.067    59.279   491.170    60.329   488.184    319.022  29.911  1.8716  26.801  9.1531  3.110491       9.342453  
1 1 1 -20 2   29 o 22.772  10.899  -212.2362  763.833  -212.2362  763.833  0.0000     0.0000   22.772  10.899  ?       ?       0.000000       10.89920  
1 1 1 -20 2   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 2   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 3   1  f 318.337 5.5343  55069.89   1908.19  54916.15   2699.27  55223.47   2697.89  317.338 7.8533  318.232 7.8273  -0.8940125     11.08788  
1 1 1 -20 3   2  o 131.340 3.2195  9352.73    457.987  9496.80    653.474  9213.65    642.060  132.270 4.5614  130.284 4.5500  1.985977       6.442760  
1 1 1 -20 3   3  o 142.558 3.3082  11019.47   510.800  10712.52   717.359  11335.17   727.507  140.470 4.7150  144.499 4.6484  -4.029694      6.621094  
1 1 1 -20 3   4  o 85.236  3.1684  3938.93    292.503  4302.78    410.378  3563.19    417.026  89.045  4.2551  80.869  4.7824  8.175621       6.401317  
1 1 1 -20 3   5  o 68.169  3.4961  2526.77    257.264  2786.52    360.029  2255.76    367.748  71.490  4.6754  64.215  5.3358  7.275017       7.094353  
1 1 1 -20 3   6  o 63.323  3.4220  2180.90    233.830  1920.99    327.115  2452.47    334.375  59.243  5.1491  67.051  4.6327  -7.807316      6.926391  
1 1 1 -20 3   7  o 56.010  3.6760  1709.07    221.768  1524.34    309.134  1904.96    318.323  52.672  5.4999  59.004  5.0290  -6.332130      7.452500  
1 1 1 -20 3   8  o 194.819 3.7669  20593.39   794.855  20223.19   1124.76  20962.72   1123.43  192.870 5.3842  196.379 5.2818  -3.509064      7.542373  
1 1 1 -20 3   9  o 144.789 3.5256  11373.20   552.898  11605.60   781.550  11140.36   782.283  146.137 4.9377  143.167 5.0449  2.970032       7.059193  
1 1 1 -20 3   10 o 106.680 3.2815  6173.60    379.157  6165.22    533.287  6182.18    539.180  106.519 4.6224  106.662 4.6672  -0.1429443     6.568767  
1 1 1 -20 3   11 o 70.381  3.7033  2696.45    281.308  3080.86    405.332  2339.24    390.730  75.094  5.0123  65.310  5.5771  9.783829       7.498495  
1 1 1 -20 3   12 o 101.074 3.1952  5543.89    349.790  5525.86    412.514  5590.02    659.883  100.869 3.7758  101.048 6.0573  -0.1792984     7.137731  
1 1 1 -20 3   13 o 99.543  3.2710  5379.76    352.667  5739.25    418.852  4504.15    653.692  102.773 3.7628  90.474  6.7188  12.29916       7.700692  
1 1 1 -20 3   14 o 76.870  4.4861  3228.61    371.884  3228.61    371.884  0.0000     0.0000   76.870  4.4861  ?       ?       0.000000       4.486120  
1 1 1 -20 3   15 o 27.169  8.1027  413.982    256.458  413.982    256.458  0.0000     0.0000   27.169  8.1027  ?       ?       0.000000       8.102676  
1 1 1 -20 3   16 o 26.302  8.1511  384.165    256.208  384.165    256.208  0.0000     0.0000   26.302  8.1511  ?       ?       0.000000       8.151149  
1 1 1 -20 3   17 o 94.546  4.3883  4883.54    449.379  4883.54    449.379  0.0000     0.0000   94.546  4.3883  ?       ?       0.000000       4.388309  
1 1 1 -20 3   18 o 92.234  3.5873  4637.67    358.363  4668.19    442.011  4579.12    612.188  92.379  4.4176  90.836  6.2606  1.543617       7.662298  
1 1 1 -20 3   19 o 50.566  4.1889  1408.43    227.351  1233.43    304.290  1629.57    342.061  46.827  6.1481  53.984  5.9490  -7.156441      8.555099  
1 1 1 -20 3   20 o 87.350  3.2779  4162.58    310.120  3706.78    429.189  4660.56    448.608  81.934  4.8580  92.130  4.4957  -10.19643      6.619020  
1 1 1 -20 3   21 o 43.493  2.1102  1027.95    99.404   842.272    313.908  1048.65    104.797  37.892  7.9044  43.865  2.2129  -5.973198      8.208285  
1 1 1 -20 3   22 o 15.800  6.7177  15.064     200.920  292.753    317.483  -170.4500  259.495  24.471  9.0473  15.085  6.9335  9.386841       11.39853  
1 1 1 -20 3   23 o 31.632  8.3423  602.442    289.913  0.0000     0.0000   602.442    289.913  ?       ?       31.632  8.3423  0.000000       8.342307  
1 1 1 -20 3   24 o 17.967  7.7361  12.866     272.640  0.0000     0.0000   12.866     272.640  ?       ?       17.967  7.7361  0.000000       7.736087  
1 1 1 -20 3   25 o 54.150  6.3894  1697.42    367.521  0.0000     0.0000   1697.42    367.521  ?       ?       54.150  6.3894  0.000000       6.389420  
1 1 1 -20 3   26 o 25.659  9.2411  384.664    328.043  0.0000     0.0000   384.664    328.043  ?       ?       25.659  9.2411  0.000000       9.241077  
1 1 1 -20 3   27 o 56.901  6.4376  1945.93    389.768  0.0000     0.0000   1945.93    389.768  ?       ?       56.901  6.4376  0.000000       6.437603  
1 1 1 -20 3   28 o 44.519  8.0263  1287.75    372.781  0.0000     0.0000   1287.75    372.781  ?       ?       44.519  8.0263  0.000000       8.026335  
1 1 1 -20 3   29 f 33.125  13.758  1109.85    812.542  1109.85    812.542  0.0000     0.0000   33.125  13.758  ?       ?       0.000000       13.75780  
1 1 1 -20 3   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 3   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 4   1  o 331.197 5.7627  59626.93   2067.20  60088.65   2923.42  59165.19   2923.51  331.861 8.1333  329.282 8.1972  2.579285       11.54747  
1 1 1 -20 4   2  o 253.158 4.6269  34791.18   1268.68  34608.71   1791.02  34974.95   1797.36  252.187 6.5570  253.520 6.5456  -1.332947      9.264995  
1 1 1 -20 4   3  o 291.067 5.1669  46018.63   1628.89  45883.27   2302.11  46154.34   2305.09  290.199 7.3242  291.058 7.3120  -0.8588562     10.34937  
1 1 1 -20 4   4  o 129.727 3.2203  9124.61    452.473  8673.08    630.754  9603.29    649.442  126.399 4.6073  133.011 4.5080  -6.612450      6.445867  
1 1 1 -20 4   5  o 145.944 3.2753  11549.14   517.735  11220.00   727.323  11887.24   737.152  143.757 4.6712  147.976 4.5994  -4.218445      6.555462  
1 1 1 -20 4   6  o 278.934 4.9736  42259.08   1502.59  41774.08   2124.08  42744.90   2125.88  276.910 7.0821  280.127 7.0067  -3.216827      9.962420  
1 1 1 -20 4   7  o 208.919 3.9715  23684.06   898.686  24136.14   1269.70  23230.22   1272.17  210.703 5.5637  206.694 5.6826  4.009384       7.952761  
1 1 1 -20 4   8  o 314.137 5.5056  53659.04   1873.25  54867.34   2649.60  52451.51   2648.75  317.035 7.7162  309.921 7.8908  7.114441       11.03649  
1 1 1 -20 4   9  o 225.519 4.3404  27617.15   1060.18  28335.58   1498.93  26897.98   1499.70  228.141 6.0661  222.246 6.2302  5.894608       8.695563  
1 1 1 -20 4   10 o 70.637  3.5905  2714.57    273.798  2540.22    372.409  2919.67    403.927  68.163  5.0808  73.096  5.1346  -4.933098      7.223454  
1 1 1 -20 4   11 o 110.156 2.8652  6580.96    341.848  6794.33    431.331  6220.57    560.574  111.884 3.5594  106.954 4.8391  4.929817       6.007178  
1 1 1 -20 4   12 o 91.341  3.2209  4527.77    318.645  4863.15    376.478  3680.68    598.316  94.634  3.6730  81.781  6.8168  12.85240       7.743381  
1 1 1 -20 4   13 o 85.808  4.3813  4016.05    405.839  4016.05    405.839  0.0000     0.0000   85.808  4.3813  ?       ?       0.000000       4.381304  
1 1 1 -20 4   14 o 78.569  4.6754  3375.02    396.068  3375.02    396.068  0.0000     0.0000   78.569  4.6754  ?       ?       0.000000       4.675389  
1 1 1 -20 4   15 o 85.973  4.4044  4039.14    408.751  4039.14    408.751  0.0000     0.0000   85.973  4.4044  ?       ?       0.000000       4.404389  
1 1 1 -20 4   16 f 76.736  4.7266  3228.99    390.931  3228.99    390.931  0.0000     0.0000   76.736  4.7266  ?       ?       0.000000       4.726591  
1 1 1 -20 4   17 o 55.643  3.7062  1694.59    222.083  1733.85    311.048  1653.77    317.186  56.008  5.1864  54.634  5.4323  1.374290       7.510518  
1 1 1 -20 4   18 o 96.086  3.1113  5024.98    323.798  4819.23    455.621  5234.93    460.255  93.847  4.4824  97.842  4.3432  -3.994682      6.241401  
1 1 1 -20 4   19 o 57.581  3.7215  1817.75    230.852  1736.90    320.418  1905.01    332.888  55.913  5.3565  58.593  5.3029  -2.679909      7.537480  
1 1 1 -20 4   20 o 40.834  4.7615  928.850    206.634  878.077    296.057  977.076    288.537  38.993  7.2778  41.374  6.6652  -2.381496      9.868654  
1 1 1 -20 4   21 o 100.026 3.1817  5461.12    344.697  5439.69    495.227  5481.25    480.078  99.405  4.5996  99.840  4.4395  -0.4345703     6.392672  
1 1 1 -20 4   22 o 47.283  4.4397  1242.72    224.707  1113.56    329.922  1354.47    306.893  43.828  7.2002  48.916  5.9124  -5.088627      9.316643  
1 1 1 -20 4   23 o 63.081  3.8800  2197.22    263.808  2230.52    402.158  2172.06    349.517  62.741  5.9908  62.232  5.2341  0.5092888      7.955199  
1 1 1 -20 4   24 o 23.981  7.7369  331.389    228.725  413.275    385.532  286.913    284.130  27.443  9.9978  23.530  8.5813  3.912729       13.17549  
1 1 1 -20 4   25 o 17.749  7.8923  -59.6570   304.680  0.0000     0.0000   -59.6570   304.680  ?       ?       17.749  7.8923  0.000000       7.892280  
1 1 1 -20 4   26 o 61.932  5.5736  2207.03    369.867  0.0000     0.0000   2207.03    369.867  ?       ?       61.932  5.5736  0.000000       5.573588  
1 1 1 -20 4   27 o 70.585  5.3218  2896.98    403.867  0.0000     0.0000   2896.98    403.867  ?       ?       70.585  5.3218  0.000000       5.321813  
1 1 1 -20 4   28 o 18.239  8.0133  36.050     305.188  0.0000     0.0000   36.050     305.188  ?       ?       18.239  8.0133  0.000000       8.013337  
1 1 1 -20 4   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 4   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 4   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 5   1  o 208.084 3.9682  23490.58   894.336  22184.44   1263.49  24802.05   1266.07  202.015 5.7746  213.642 5.4714  -11.62708      7.955005  
1 1 1 -20 5   2  o 52.444  3.7663  1499.52    212.509  1537.47    283.399  1450.77    321.204  52.974  4.9984  51.326  5.8842  1.648109       7.720610  
1 1 1 -20 5   3  o 26.911  6.6744  409.717    193.592  476.534    242.096  291.219    322.404  29.042  7.6061  25.325  9.1554  3.717381       11.90272  
1 1 1 -20 5   4  o 104.536 3.1873  5924.80    360.878  5616.94    505.761  6244.12    515.085  101.720 4.5906  107.258 4.4338  -5.537361      6.382185  
1 1 1 -20 5   5  o 159.170 3.4462  13739.16   594.113  13782.47   831.012  13693.87   849.706  159.316 4.8159  158.792 4.9405  0.5240784      6.899354  
1 1 1 -20 5   6  o 40.446  5.2425  903.562    224.255  1079.68    333.077  757.526    303.299  43.944  7.2510  36.572  7.8887  7.372044       10.71486  
1 1 1 -20 5   7  o 153.072 3.2801  12706.46   543.821  12190.73   766.600  13228.92   771.583  149.824 4.7241  156.089 4.5640  -6.264008      6.568597  
1 1 1 -20 5   8  o 149.290 3.3902  12088.63   548.184  12804.21   777.170  11380.09   773.344  153.538 4.6734  144.724 4.9336  8.814438       6.795621  
1 1 1 -20 5   9  o 167.060 3.6409  15143.09   658.797  15290.03   930.337  14995.29   933.029  167.712 5.1216  166.079 5.1869  1.632401       7.289374  
1 1 1 -20 5   10 o 74.475  3.5741  3009.83    288.299  3042.20    411.322  2978.56    404.205  74.622  5.1201  73.838  5.0852  0.7838745      7.216297  
1 1 1 -20 5   11 o 180.303 5.1790  17689.50   1011.39  17689.50   1011.39  0.0000     0.0000   180.303 5.1790  ?       ?       0.000000       5.178976  
1 1 1 -20 5   12 o 220.064 5.9395  26415.37   1415.69  26415.37   1415.69  0.0000     0.0000   220.064 5.9395  ?       ?       0.000000       5.939469  
1 1 1 -20 5   13 o 217.107 5.8796  25738.18   1382.58  25738.18   1382.58  0.0000     0.0000   217.107 5.8796  ?       ?       0.000000       5.879583  
1 1 1 -20 5   14 o 77.442  4.7002  3279.74    392.374  3279.74    392.374  0.0000     0.0000   77.442  4.7002  ?       ?       0.000000       4.700155  
1 1 1 -20 5   15 o 24.105  8.4036  290.056    269.467  290.056    269.467  0.0000     0.0000   24.105  8.4036  ?       ?       0.000000       8.403566  
1 1 1 -20 5   16 o 85.932  3.1592  4014.93    294.040  4086.69    422.902  3947.77    409.112  86.400  4.5350  84.929  4.4632  1.470833       6.362867  
1 1 1 -20 5   17 o 81.366  3.1504  3601.73    277.642  3504.80    391.174  3700.12    394.134  79.944  4.5363  82.169  4.4452  -2.224327      6.351200  
1 1 1 -20 5   18 o 40.086  4.9066  893.689    208.583  789.253    303.674  986.967    286.994  36.938  7.8334  41.756  6.5622  -4.818764      10.21880  
1 1 1 -20 5   19 o 41.605  4.3377  957.912    192.598  841.691    284.641  1056.06    261.568  38.279  7.1277  43.388  5.7043  -5.109394      9.129265  
1 1 1 -20 5   20 o 29.959  6.1994  516.240    194.533  341.854    274.470  692.266    275.757  25.157  8.4904  34.448  7.5950  -9.291708      11.39174  
1 1 1 -20 5   21 o 46.608  4.5944  1206.78    228.911  1247.98    349.479  1175.82    302.943  46.609  7.1511  45.499  6.3179  1.109970       9.542239  
1 1 1 -20 5   22 o 39.915  5.3000  899.113    223.463  709.800    317.355  1085.28    314.710  34.425  8.5501  43.353  6.9360  -8.928535      11.00965  
1 1 1 -20 5   23 o 13.827  6.3119  -121.2586  210.160  -137.2651  354.666  -112.5969  260.898  18.438  8.3305  15.819  7.1464  2.618607       10.97579  
1 1 1 -20 5   24 o ?       ?       -158.5974  33.249   -160.2852  33.460   -25.7177   296.889  ?       ?       18.096  7.9281  0.000000       7.928066  
1 1 1 -20 5   25 o 32.850  7.1372  646.886    246.680  686.172    428.465  627.408    301.698  32.852  10.588  31.853  8.5609  0.9990273      13.61625  
1 1 1 -20 5   26 o 44.680  5.6070  1156.65    265.360  1155.33    452.031  1157.34    327.784  41.824  10.094  43.842  7.1492  -2.018787      12.36937  
1 1 1 -20 5   27 o 17.814  7.8645  3.3059     297.303  0.0000     0.0000   3.3059     297.303  ?       ?       17.814  7.8645  0.000000       7.864492  
1 1 1 -20 5   28 o 32.127  8.9977  712.809    325.554  0.0000     0.0000   712.809    325.554  ?       ?       32.127  8.9977  0.000000       8.997703  
1 1 1 -20 5   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 5   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 5   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 6   1  o 129.926 3.1822  9152.36    447.812  9479.47    627.170  8812.15    639.616  132.159 4.3814  127.406 4.6351  4.753174       6.378179  
1 1 1 -20 6   2  o 193.478 3.8301  20306.04   802.627  19754.53   1131.84  20863.93   1138.36  190.667 5.4807  195.962 5.3634  -5.294846      7.668395  
1 1 1 -20 6   3  o 213.954 4.1119  24837.76   952.866  25151.67   1341.53  24518.15   1353.66  215.103 5.7582  212.359 5.8853  2.744080       8.233665  
1 1 1 -20 6   4  o 427.277 7.2528  99464.09   3356.50  98126.06   4744.57  100804.60  4749.05  423.081 10.354  428.881 10.223  -5.800659      14.55070  
1 1 1 -20 6   5  o 153.062 3.4369  12704.96   569.774  13286.12   805.614  12123.32   805.950  156.426 4.7550  149.405 4.9805  7.020920       6.885880  
1 1 1 -20 6   6  o 164.422 3.5240  14662.46   627.571  14399.29   879.835  14935.03   895.409  162.818 4.9892  165.819 4.9856  -3.001556      7.053233  
1 1 1 -20 6   7  o 57.098  3.9083  1777.27    240.247  1869.19    337.555  1682.90    342.009  58.395  5.3981  55.329  5.7930  3.066315       7.918209  
1 1 1 -20 6   8  o 164.911 3.4706  14751.91   619.895  14274.49   876.788  15229.05   876.539  162.079 4.9946  167.428 4.8336  -5.349487      6.950518  
1 1 1 -20 6   9  o 106.460 3.3104  6147.54    381.707  6094.67    546.626  6197.85    533.252  105.911 4.7652  106.815 4.6093  -0.9041138     6.629655  
1 1 1 -20 6   10 o 32.674  8.8591  604.691    321.404  229.290    407.285  1224.36    523.274  25.876  10.083  46.231  10.667  -20.35553      14.67857  
1 1 1 -20 6   11 o 91.968  4.2803  4595.57    426.368  4595.57    426.368  0.0000     0.0000   91.968  4.2803  ?       ?       0.000000       4.280339  
1 1 1 -20 6   12 o 181.157 5.2381  17873.12   1027.78  17873.12   1027.78  0.0000     0.0000   181.157 5.2381  ?       ?       0.000000       5.238113  
1 1 1 -20 6   13 f 250.942 6.5655  34458.41   1784.48  34458.41   1784.48  0.0000     0.0000   250.942 6.5655  ?       ?       0.000000       6.565494  
1 1 1 -20 6   14 o 95.494  3.2614  4953.31    337.323  4720.10    397.381  5554.70    638.135  93.155  3.9385  100.619 5.8811  -7.464111      7.078066  
1 1 1 -20 6   15 o 31.623  5.9362  565.362    195.856  618.635    285.881  518.242    268.866  32.800  8.0962  30.088  8.0797  2.711735       11.43804  
1 1 1 -20 6   16 o 49.010  4.0921  1318.46    215.233  1368.24    312.633  1273.60    296.759  49.576  5.9406  47.826  5.8509  1.749489       8.338087  
1 1 1 -20 6   17 o 19.715  6.4507  206.913    158.706  381.632    247.769  85.351     206.669  26.101  8.0037  17.650  7.0850  8.451000       10.68912  
1 1 1 -20 6   18 o 38.933  4.6748  841.718    193.190  838.854    302.805  843.684    250.884  38.163  7.5928  38.629  6.2066  -0.4653587     9.806762  
1 1 1 -20 6   19 o 24.443  6.7727  342.668    185.491  563.335    259.349  111.577    265.403  31.102  7.7320  19.885  8.0125  11.21647       11.13485  
1 1 1 -20 6   20 o 27.900  6.5310  450.621    193.870  395.326    274.386  505.744    273.962  26.508  8.4659  29.431  8.2581  -2.922712      11.82656  
1 1 1 -20 6   21 o 16.404  6.8040  47.009     198.358  -208.0501  309.755  224.308    258.256  16.417  7.5568  21.990  8.1539  -5.572927      11.11720  
1 1 1 -20 6   22 o 22.866  7.5691  288.408    218.271  158.033    328.643  391.306    291.966  22.098  8.9119  26.357  8.7555  -4.259354      12.49321  
1 1 1 -20 6   23 o 39.480  5.8846  892.041    243.944  879.797    426.824  897.980    297.283  37.589  10.216  39.090  7.2897  -1.500515      12.55046  
1 1 1 -20 6   24 o 31.231  7.2526  582.578    240.626  650.035    422.474  550.187    292.751  32.407  10.521  30.071  8.5714  2.335810       13.57048  
1 1 1 -20 6   25 o 16.413  7.0940  2.8273     231.005  -63.4738   411.625  33.309     279.100  20.488  9.1375  18.377  7.8679  2.111015       12.05811  
1 1 1 -20 6   26 o 25.365  8.0061  393.376    245.947  272.025    431.267  451.865    299.408  24.843  10.139  26.995  8.8615  -2.151451      13.46583  
1 1 1 -20 6   27 o 54.688  2.3118  1641.02    136.933  1724.92    149.238  1194.26    344.370  56.021  2.4596  43.598  7.5672  12.42285       7.956879  
1 1 1 -20 6   28 o 30.431  7.8462  609.104    260.270  725.939    452.847  551.473    318.049  31.043  10.890  28.270  9.1237  2.773008       14.20678  
1 1 1 -20 6   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 6   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 6   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 7   1  o 273.896 5.6856  40776.79   1686.67  39098.45   2915.40  41621.16   2067.88  267.150 10.076  276.476 6.9055  -9.325531      12.21494  
1 1 1 -20 7   2  o 165.380 3.5314  14832.80   632.563  14822.78   889.877  14843.03   899.359  165.209 4.9731  165.318 5.0228  -0.1081848     7.068223  
1 1 1 -20 7   3  o 352.279 6.0982  67491.81   2326.81  65405.20   3288.62  69583.46   3292.59  346.010 8.7751  356.982 8.5157  -10.97137      12.22787  
1 1 1 -20 7   4  o 90.315  3.1097  4422.22    304.193  4249.26    409.105  4636.09    454.919  88.488  4.2686  92.415  4.5449  -3.927155      6.235121  
1 1 1 -20 7   5  o 128.387 3.2233  8937.34    448.222  8769.84    625.744  9113.85    642.347  127.101 4.5454  129.568 4.5772  -2.466728      6.450727  
1 1 1 -20 7   6  o 153.135 3.3170  12716.43   550.161  12389.77   775.093  13048.11   781.031  151.050 4.7376  155.019 4.6517  -3.968689      6.639559  
1 1 1 -20 7   7  o 156.307 3.3849  13250.65   573.060  13196.19   808.720  13305.57   812.150  155.871 4.7903  156.515 4.7908  -0.6446228     6.774874  
1 1 1 -20 7   8  o 225.378 4.2411  27575.89   1035.28  27770.33   1468.65  27383.84   1459.61  225.894 6.0027  224.315 6.0077  1.578339       8.492626  
1 1 1 -20 7   9  o 212.918 5.9556  24678.31   1373.44  25459.09   1914.70  23850.75   1971.22  215.762 8.1932  208.701 8.7205  7.061417       11.96562  
1 1 1 -20 7   10 o 53.228  5.8603  1561.21    332.260  1561.21    332.260  0.0000     0.0000   53.228  5.8603  ?       ?       0.000000       5.860310  
1 1 1 -20 7   11 o 63.839  4.9867  2230.33    342.065  2230.33    342.065  0.0000     0.0000   63.839  4.9867  ?       ?       0.000000       4.986703  
1 1 1 -20 7   12 o 126.381 4.4345  8685.15    607.013  8685.15    607.013  0.0000     0.0000   126.381 4.4345  ?       ?       0.000000       4.434529  
1 1 1 -20 7   13 o 52.890  4.0763  1529.97    231.709  1602.25    275.717  1356.19    427.519  54.038  4.7594  48.976  8.3595  5.062340       9.619374  
1 1 1 -20 7   14 o 171.936 3.6438  16070.24   678.570  16365.95   789.255  15232.14   1328.71  173.403 4.2023  166.422 7.3714  6.980789       8.485092  
1 1 1 -20 7   15 o 91.898  2.8742  4586.43    286.082  4329.08    393.964  4873.52    416.104  89.155  4.0798  94.598  4.0612  -5.442657      5.756560  
1 1 1 -20 7   16 o 17.295  6.2809  136.025    151.982  244.818    269.017  85.023     184.194  22.968  8.3539  16.920  6.7232  6.047380       10.72331  
1 1 1 -20 7   17 o 83.347  2.9410  3777.13    265.494  4433.95    395.093  3236.34    358.500  90.142  4.0467  76.852  4.3245  13.28951       5.922584  
1 1 1 -20 7   18 o 25.306  6.3865  367.771    175.056  451.828    312.393  329.293    211.359  28.418  9.0287  24.231  7.3853  4.187014       11.66446  
1 1 1 -20 7   19 o 46.645  4.2959  1201.19    214.594  1600.46    309.557  831.788    297.751  53.634  5.4024  37.937  7.5121  15.69655       9.252969  
1 1 1 -20 7   20 o 57.021  3.8877  1787.26    238.668  1772.85    350.196  1799.76    326.142  56.276  5.8300  56.847  5.3603  -0.5712852     7.919677  
1 1 1 -20 7   21 o 56.339  3.8963  1747.56    236.297  1586.90    343.444  1891.98    325.616  53.044  6.0882  58.266  5.2148  -5.221767      8.016238  
1 1 1 -20 7   22 o 20.194  7.4004  194.265    211.680  -30.1171   343.272  331.944    268.892  19.556  8.5475  24.641  8.4033  -5.085402      11.98641  
1 1 1 -20 7   23 o 91.660  3.0083  4593.96    298.655  4993.57    403.767  4111.20    443.789  95.247  3.9139  85.957  4.7857  9.289413       6.182376  
1 1 1 -20 7   24 o 69.111  4.0335  2647.09    300.614  3157.21    514.468  2382.62    370.432  74.221  6.4643  65.012  5.3070  9.208618       8.363653  
1 1 1 -20 7   25 o 35.982  6.6455  764.631    249.451  1559.27    436.172  378.387    304.091  50.810  8.2053  25.671  8.9284  25.13869       12.12617  
1 1 1 -20 7   26 o 16.184  7.0851  -11.4639   236.717  -95.5773   422.597  26.995     285.754  20.023  9.0659  18.218  7.8818  1.805422       12.01310  
1 1 1 -20 7   27 o 22.233  1.4972  270.381    35.845   441.570    906.560  270.113    35.873   29.532  13.333  22.222  1.4992  7.310408       13.41725  
1 1 1 -20 7   28 o 23.390  8.8884  331.830    310.945  262.339    421.939  414.427    460.008  23.349  9.8210  25.848  10.502  -2.498734      14.37827  
1 1 1 -20 7   29 o 20.673  10.113  -611.4608  755.516  -611.4608  755.516  0.0000     0.0000   20.673  10.113  ?       ?       0.000000       10.11285  
1 1 1 -20 7   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 7   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 8   1  o 104.585 3.5796  5932.23    405.485  6142.47    681.185  5816.86    504.629  106.120 5.9505  103.519 4.5007  2.601067       7.460882  
1 1 1 -20 8   2  o 180.214 3.6738  17615.11   717.094  17269.24   1006.07  17972.27   1022.37  178.297 5.2097  181.892 5.1895  -3.595230      7.353364  
1 1 1 -20 8   3  o 163.606 3.5267  14516.26   624.934  14431.22   878.467  14603.40   889.210  163.011 4.9755  163.978 5.0067  -0.9666443     7.058510  
1 1 1 -20 8   4  o 62.715  3.4347  2139.29    232.423  2198.43    299.962  2050.45    367.668  63.493  4.3888  61.167  5.6123  2.326370       7.124558  
1 1 1 -20 8   5  o 85.654  3.2227  3978.07    298.980  3839.46    407.565  4139.56    439.931  83.981  4.4970  87.192  4.6754  -3.211464      6.487123  
1 1 1 -20 8   6  o 110.505 3.0960  6620.88    370.555  6534.06    526.303  6706.21    521.814  109.711 4.4291  111.153 4.3344  -1.441483      6.197069  
1 1 1 -20 8   7  o 198.119 3.9057  21298.61   838.108  21913.03   1190.55  20694.99   1180.05  200.765 5.4751  195.090 5.5846  5.674835       7.820754  
1 1 1 -20 8   8  o 286.350 7.3019  44730.98   2264.67  44773.66   3183.68  44687.27   3222.12  285.460 10.297  285.130 10.433  0.3302002      14.65901  
1 1 1 -20 8   9  o 134.184 4.5261  9780.36    657.800  8458.17    891.816  11358.01   974.168  124.394 6.6432  144.407 6.2284  -20.01295      9.106338  
1 1 1 -20 8   10 o 63.064  4.8912  2175.06    331.481  2175.06    331.481  0.0000     0.0000   63.064  4.8912  ?       ?       0.000000       4.891210  
1 1 1 -20 8   11 o 64.247  4.6912  2256.21    324.190  2256.21    324.190  0.0000     0.0000   64.247  4.6912  ?       ?       0.000000       4.691244  
1 1 1 -20 8   12 o 110.334 3.2498  6607.38    388.362  6687.78    455.440  6393.13    743.460  110.959 3.7896  108.004 6.3839  2.955475       7.423944  
1 1 1 -20 8   13 o 76.591  3.4848  3186.36    289.088  3073.59    345.707  3448.56    527.157  75.047  4.2707  79.189  6.1955  -4.142334      7.524882  
1 1 1 -20 8   14 o 88.477  3.1266  4251.34    299.621  4398.69    348.337  3832.28    587.440  89.958  3.5751  83.356  6.5597  6.602249       7.470652  
1 1 1 -20 8   15 o 51.483  3.6778  1449.32    203.730  1613.80    252.117  1139.82    345.846  54.245  4.3272  44.906  7.3662  9.338917       8.543124  
1 1 1 -20 8   16 o 70.223  3.1802  2681.56    241.881  2762.60    365.128  2618.19    322.894  70.937  4.7801  69.134  4.3341  1.802841       6.452455  
1 1 1 -20 8   17 o 75.140  3.0173  3070.64    245.562  3087.68    366.868  3056.81    330.524  75.014  4.5368  74.726  4.0994  0.2875595      6.114511  
1 1 1 -20 8   18 o 60.896  3.4474  2027.19    226.449  2003.21    343.416  2045.64    301.213  60.146  5.3267  60.954  4.5963  -0.8081589     7.035562  
1 1 1 -20 8   19 o 56.423  3.7951  1746.86    230.577  2163.38    331.875  1358.20    320.588  62.554  4.9385  49.158  6.1562  13.39576       7.892218  
1 1 1 -20 8   20 o 57.422  3.8186  1811.49    236.137  2172.97    340.365  1476.05    327.881  62.593  5.0639  51.239  6.0230  11.35455       7.868904  
1 1 1 -20 8   21 o 36.575  5.7528  759.981    220.368  1017.51    340.320  574.034    289.183  41.751  7.8129  31.152  8.3853  10.59916       11.46099  
1 1 1 -20 8   22 o 35.031  6.2888  707.658    229.841  592.129    384.339  771.976    286.769  31.559  10.013  36.205  7.5571  -4.646429      12.54492  
1 1 1 -20 8   23 o 30.499  7.2398  551.700    235.579  784.480    408.805  435.967    288.252  35.567  10.126  27.287  8.6732  8.279707       13.33248  
1 1 1 -20 8   24 o 19.051  7.5604  132.014    232.653  80.383     436.855  152.456    274.877  22.975  9.8403  20.505  8.1922  2.470263       12.80406  
1 1 1 -20 8   25 f 23.023  7.9757  295.993    242.540  759.354    452.478  109.183    287.301  34.263  10.864  19.863  8.2094  14.40032       13.61696  
1 1 1 -20 8   26 o 49.179  1.9156  1318.72    102.036  1386.65    107.627  715.443    320.744  50.420  1.9708  33.428  8.7549  16.99229       8.974005  
1 1 1 -20 8   27 o 37.957  6.8220  888.666    270.157  541.487    428.170  1118.30    348.221  28.271  10.496  41.798  7.9829  -13.52694      13.18676  
1 1 1 -20 8   28 o 19.993  8.5555  123.004    329.718  179.297    413.947  25.304     545.341  22.125  9.5294  22.326  10.182  -0.2013073     13.94598  
1 1 1 -20 8   29 o 21.061  10.294  -581.0400  777.894  -581.0400  777.894  0.0000     0.0000   21.061  10.294  ?       ?       0.000000       10.29385  
1 1 1 -20 8   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 8   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 9   1  o 131.503 3.6932  9379.73    526.027  8507.57    893.066  9843.07    650.924  124.849 6.6281  134.663 4.4629  -9.813873      7.990528  
1 1 1 -20 9   2  o 309.916 6.3040  52252.22   2116.08  52160.87   3658.90  52298.13   2593.88  308.233 10.960  309.698 7.7329  -1.464294      13.41319  
1 1 1 -20 9   3  o 301.560 5.3420  49409.68   1744.81  47668.70   2466.20  51154.43   2468.87  295.679 7.7008  306.368 7.4402  -10.68903      10.70792  
1 1 1 -20 9   4  o 207.231 4.0207  23300.59   902.458  23542.41   1266.99  23051.56   1285.75  208.118 5.6207  205.917 5.7649  2.200607       8.051539  
1 1 1 -20 9   5  o 260.356 4.7196  36806.55   1330.89  35584.41   1877.13  38041.89   1887.24  255.638 6.7795  264.357 6.5912  -8.719284      9.455459  
1 1 1 -20 9   6  o 190.265 3.8067  19639.91   784.471  19037.76   1113.02  20234.29   1105.83  187.145 5.4911  192.962 5.2911  -5.817139      7.625461  
1 1 1 -20 9   7  o 180.782 5.2344  17762.68   1024.92  17471.57   1431.70  18068.68   1467.89  178.978 7.3855  182.000 7.4465  -3.021942      10.48794  
1 1 1 -20 9   8  o 219.528 5.9282  26226.16   1409.55  25435.84   1963.75  27066.10   2024.45  215.666 8.4068  222.472 8.4016  -6.805389      11.88536  
1 1 1 -20 9   9  o 254.362 5.4235  35192.76   1494.18  35811.61   1823.26  33927.18   2607.35  256.327 6.5673  248.558 9.6850  7.769608       11.70166  
1 1 1 -20 9   10 o 160.744 4.8799  14047.95   849.593  14047.95   849.593  0.0000     0.0000   160.744 4.8799  ?       ?       0.000000       4.879855  
1 1 1 -20 9   11 o 184.862 3.7805  18556.20   756.959  18000.73   874.674  20213.30   1510.74  181.984 4.4376  192.259 7.2550  -10.27502      8.504482  
1 1 1 -20 9   12 o 87.019  3.2080  4109.84    302.358  4130.65    352.363  4051.74    588.811  87.205  3.7306  85.893  6.3746  1.311996       7.386020  
1 1 1 -20 9   13 o 146.466 3.3278  11649.73   527.923  11817.81   614.011  11173.23   1033.84  147.451 3.8447  142.842 6.6823  4.608582       7.709420  
1 1 1 -20 9   14 o 91.931  3.0286  4589.18    301.565  4706.82    357.182  4297.16    562.735  93.056  3.5438  88.434  5.9091  4.621643       6.890285  
1 1 1 -20 9   15 o 61.135  3.3616  2038.11    221.734  2233.21    270.758  1640.83    386.377  63.926  3.9296  54.224  6.7230  9.701065       7.787171  
1 1 1 -20 9   16 o 15.535  6.0350  83.923     145.552  13.333     237.630  126.309    184.136  17.270  7.3228  17.958  6.8361  -0.6873512     10.01780  
1 1 1 -20 9   17 o 51.515  3.4651  1451.71    192.211  1667.58    298.775  1299.28    251.064  54.932  5.0792  48.480  4.8463  6.452072       7.020346  
1 1 1 -20 9   18 o 27.390  5.7523  428.360    165.218  302.964    253.255  521.269    217.996  24.010  8.1554  30.078  6.8454  -6.068596      10.64757  
1 1 1 -20 9   19 o 56.278  3.8047  1738.16    230.552  1705.15    331.308  1769.15    321.035  55.313  5.6077  56.431  5.3152  -1.117809      7.726366  
1 1 1 -20 9   20 o 59.447  3.6458  1938.68    233.609  2072.99    325.995  1796.91    334.933  61.153  4.9646  56.750  5.5189  4.403008       7.423323  
1 1 1 -20 9   21 o 55.391  4.2079  1694.51    250.566  1896.80    389.577  1551.78    327.229  57.954  6.3083  52.514  5.8527  5.439518       8.605217  
1 1 1 -20 9   22 o 18.314  7.3565  102.910    222.966  -214.8638  414.844  231.995    264.402  19.351  8.8472  22.178  8.2451  -2.826782      12.09357  
1 1 1 -20 9   23 f 26.835  7.8937  425.754    244.745  231.201    407.704  535.362    306.017  24.756  9.9465  29.846  8.8396  -5.090174      13.30683  
1 1 1 -20 9   24 o 34.141  6.7904  687.403    242.260  557.833    424.878  749.821    294.895  30.550  10.558  35.251  7.9172  -4.701302      13.19652  
1 1 1 -20 9   25 o 44.933  5.4593  1154.88    260.230  633.839    446.544  1422.83    320.227  31.762  10.829  49.633  6.0842  -17.87179      12.42123  
1 1 1 -20 9   26 o 42.647  5.7177  1060.26    257.460  1708.40    428.462  693.978    322.094  52.925  7.7003  32.845  8.8532  20.08017       11.73344  
1 1 1 -20 9   27 o 47.788  5.2843  1336.46    268.939  1238.33    439.514  1395.19    340.027  42.394  9.7722  47.763  6.7618  -5.368343      11.88350  
1 1 1 -20 9   28 o 38.381  8.1255  969.360    327.258  722.240    443.302  1265.34    485.150  31.005  10.780  41.241  10.751  -10.23577      15.22496  
1 1 1 -20 9   29 o 28.525  13.102  594.102    924.540  594.102    924.540  0.0000     0.0000   28.525  13.102  ?       ?       0.000000       13.10240  
1 1 1 -20 9   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 9   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 10  1  o 139.895 3.7558  10615.81   569.080  10329.05   691.031  11220.14   1003.17  137.934 4.6255  143.593 6.4501  -5.659149      7.937193  
1 1 1 -20 10  2  o 133.354 3.7609  9646.30    543.206  9544.53    919.170  9700.92    673.376  132.443 6.4076  133.673 4.6510  -1.229904      7.917619  
1 1 1 -20 10  3  o 252.567 5.3657  34660.78   1467.83  35107.66   2534.31  34435.20   1800.59  253.366 9.2351  251.528 6.6093  1.837906       11.35653  
1 1 1 -20 10  4  o 145.457 3.3276  11472.86   524.251  11765.43   725.920  11153.93   757.921  147.217 4.5526  143.314 4.8828  3.902878       6.675919  
1 1 1 -20 10  5  o 229.552 4.2407  28598.13   1054.35  27362.63   1483.39  29859.59   1498.90  224.279 6.1065  234.323 5.9059  -10.04361      8.495269  
1 1 1 -20 10  6  o 48.502  5.3285  1293.77    275.310  1105.98    338.705  1659.42    472.634  44.476  7.2834  54.523  8.2623  -10.04709      11.01423  
1 1 1 -20 10  7  o 165.401 4.9928  14864.51   894.453  14076.71   1226.08  15760.78   1307.76  160.697 7.0444  170.029 7.1013  -9.331955      10.00256  
1 1 1 -20 10  8  o 209.376 5.6646  23847.54   1284.60  21275.13   1789.44  26582.84   1845.23  197.238 8.3764  220.635 7.7216  -23.39638      11.39239  
1 1 1 -20 10  9  o 211.053 5.7427  24243.24   1312.73  24243.24   1312.73  0.0000     0.0000   211.053 5.7427  ?       ?       0.000000       5.742682  
1 1 1 -20 10  10 o 135.589 3.2892  9974.10    483.036  10088.18   560.402  9644.34    952.735  136.321 3.7955  132.963 6.6156  3.358170       7.627067  
1 1 1 -20 10  11 o 125.474 3.2401  8542.96    440.336  8552.05    510.213  8516.40    871.728  125.499 3.7535  124.748 6.4740  0.7511902      7.483447  
1 1 1 -20 10  12 o 74.073  3.1636  2977.91    253.816  2882.60    300.138  3217.18    475.567  72.742  3.8229  76.585  5.7757  -3.842438      6.926263  
1 1 1 -20 10  13 o 78.518  3.0303  3346.50    257.707  3450.59    304.320  3082.64    484.538  79.697  3.5255  74.867  6.0265  4.830147       6.981910  
1 1 1 -20 10  14 o 81.564  3.0028  3612.48    265.271  3766.65    313.330  3222.33    498.442  83.249  3.4750  76.487  6.0665  6.761841       6.991252  
1 1 1 -20 10  15 o 120.178 3.1127  7848.27    405.160  7912.70    474.020  7673.57    780.551  120.597 3.6290  118.105 6.1229  2.491402       7.117531  
1 1 1 -20 10  16 o 17.925  6.2364  158.903    148.366  68.950     240.377  214.261    188.572  18.412  7.5483  20.525  7.0370  -2.113188      10.31969  
1 1 1 -20 10  17 o 78.879  2.9844  3383.78    254.969  3235.56    377.206  3508.47    345.975  76.785  4.5559  80.187  3.9836  -3.401306      6.051878  
1 1 1 -20 10  18 o 25.014  6.0512  359.000    162.160  655.566    250.189  144.154    212.946  33.748  7.0709  19.173  7.3389  14.57491       10.19107  
1 1 1 -20 10  19 o 55.672  3.7168  1700.24    222.832  1652.97    309.716  1750.96    320.843  54.527  5.3117  56.125  5.3424  -1.598679      7.533618  
1 1 1 -20 10  20 o 136.471 3.2896  10162.85   486.247  9796.29    685.854  10533.29   689.475  133.443 4.7453  138.438 4.5983  -4.994507      6.607710  
1 1 1 -20 10  21 o 34.106  6.4005  670.084    227.753  634.057    374.207  691.281    287.040  32.643  9.7995  34.237  7.9011  -1.594242      12.58802  
1 1 1 -20 10  22 o 20.735  7.6684  202.314    228.116  41.832     422.794  268.216    270.935  22.493  9.6584  23.122  8.3877  -0.6292286     12.79210  
1 1 1 -20 10  23 o 86.027  3.5103  4061.57    327.078  5213.70    521.246  3313.28    420.073  96.697  4.9940  76.998  5.0653  19.69868       7.113173  
1 1 1 -20 10  24 o 30.158  7.3335  544.832    237.228  351.021    414.679  639.118    289.232  26.631  10.230  32.409  8.2257  -5.777401      13.12686  
1 1 1 -20 10  25 o 55.442  2.6442  1681.70    158.785  2234.29    448.246  1602.41    169.795  61.875  6.8007  53.985  2.9147  7.890190       7.398966  
1 1 1 -20 10  26 o 52.179  4.8235  1551.06    269.513  1689.06    441.868  1469.31    340.102  52.317  8.0565  49.832  6.4528  2.484299       10.32213  
1 1 1 -20 10  27 o 18.218  7.5113  116.834    239.709  162.702    409.406  92.907     295.693  22.143  9.5061  19.054  8.1266  3.088545       12.50630  
1 1 1 -20 10  28 o 24.382  9.0126  380.068    315.024  284.113    440.537  480.483    450.657  23.817  10.027  26.764  10.554  -2.947929      14.55772  
1 1 1 -20 10  29 o 30.463  12.913  839.460    738.552  839.460    738.552  0.0000     0.0000   30.463  12.913  ?       ?       0.000000       12.91284  
1 1 1 -20 10  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 10  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 11  1  o 42.748  5.3596  1008.39    242.700  922.242    273.817  1324.13    524.192  40.679  6.4282  48.248  10.342  -7.568623      12.17676  
1 1 1 -20 11  2  o 128.097 4.5601  8907.72    632.676  9056.56    875.921  8745.37    914.826  129.024 6.2679  126.573 6.6969  2.450874       9.172531  
1 1 1 -20 11  3  o 106.421 3.7244  6143.19    429.287  6555.31    740.131  5934.27    526.987  109.594 6.2612  104.548 4.6539  5.046234       7.801364  
1 1 1 -20 11  4  o 29.465  5.8404  488.558    179.798  559.837    220.080  345.507    311.778  31.481  6.6623  26.329  9.0471  5.152113       11.23552  
1 1 1 -20 11  5  o 291.644 7.1836  46351.56   2269.16  42926.66   3194.69  49838.86   3223.66  279.655 10.547  301.582 9.8690  -21.92630      14.44438  
1 1 1 -20 11  6  o 108.680 4.3745  6412.05    514.933  6036.79    670.606  6951.19    803.813  105.182 5.9104  112.791 6.6086  -7.608620      8.866052  
1 1 1 -20 11  7  o 57.369  5.9925  1810.19    366.861  1833.81    459.623  1768.73    608.979  57.487  7.5655  55.872  10.447  1.615707       12.89905  
1 1 1 -20 11  8  o 256.675 5.4119  35826.73   1504.54  35870.38   1832.28  35736.40   2636.12  256.574 6.5934  255.242 9.5355  1.331848       11.59302  
1 1 1 -20 11  9  f 234.756 4.4098  29934.29   1121.27  30105.17   1295.58  29424.34   2238.12  235.309 5.0834  231.683 8.9191  3.626877       10.26600  
1 1 1 -20 11  10 f 109.513 3.2048  6506.28    380.140  6700.38    441.443  5949.39    747.742  111.105 3.6684  104.214 6.6594  6.891273       7.602884  
1 1 1 -20 11  11 o 45.969  4.0452  1156.78    199.360  1188.42    235.988  1077.94    372.566  46.506  4.7518  43.651  8.1809  2.854877       9.460777  
1 1 1 -20 11  12 o 72.576  3.1093  2858.59    244.411  2763.84    284.401  3126.23    477.998  71.236  3.6988  75.463  5.8950  -4.227470      6.959281  
1 1 1 -20 11  13 o 137.762 3.2351  10305.54   482.710  10321.67   561.651  10259.95   944.223  137.805 3.7630  136.929 6.3666  0.8756714      7.395536  
1 1 1 -20 11  14 f 122.931 3.1242  8208.12    415.975  8047.48    484.052  8661.79    813.452  121.653 3.6737  125.791 5.9705  -4.137993      7.010185  
1 1 1 -20 11  15 o 83.070  3.0469  3749.45    274.143  3566.69    323.580  4214.25    516.040  80.958  3.6902  87.582  5.4673  -6.624840      6.596146  
1 1 1 -20 11  16 o 27.307  5.9683  425.369    171.589  505.821    219.811  299.865    274.543  29.683  6.9582  24.361  8.4829  5.322184       10.97162  
1 1 1 -20 11  17 o 66.502  3.0482  2405.74    219.555  2800.26    328.697  2087.92    295.020  71.472  4.2655  61.644  4.4486  9.828339       6.163173  
1 1 1 -20 11  18 o 79.774  3.0496  3463.72    263.497  3929.87    382.233  3041.59    363.737  84.790  4.1621  74.397  4.5357  10.39345       6.155917  
1 1 1 -20 11  19 o 28.793  6.2394  476.848    188.964  423.007    260.522  536.620    274.495  27.194  8.1795  30.326  8.1724  -3.131998      11.56252  
1 1 1 -20 11  20 o 48.251  4.2021  1285.88    217.412  1293.55    305.684  1278.03    309.282  47.915  6.0234  47.585  6.1443  0.3293915      8.604286  
1 1 1 -20 11  21 o 18.501  7.3465  112.995    219.786  369.816    384.256  -11.8814   267.944  27.132  9.9665  17.649  7.6340  9.482601       12.55424  
1 1 1 -20 11  22 o 27.728  7.5036  453.629    230.837  716.076    401.205  323.756    282.230  34.273  10.114  24.589  8.5987  9.684172       13.27497  
1 1 1 -20 11  23 o 36.175  6.5414  761.554    246.866  813.537    443.552  738.224    297.142  36.050  10.633  35.086  7.9971  0.9642487      13.30460  
1 1 1 -20 11  24 o 40.577  5.8267  945.826    248.732  1400.21    430.953  718.849    304.585  48.133  8.5811  34.359  8.2818  13.77438       11.92575  
1 1 1 -20 11  25 o 68.807  3.9521  2631.13    293.291  3207.54    472.925  2270.89    373.871  74.874  5.8789  63.138  5.5227  11.73568       8.066068  
1 1 1 -20 11  26 o 24.298  7.9167  358.434    239.134  281.762    405.224  399.402    296.211  24.483  9.8881  25.609  8.8173  -1.126595      13.24838  
1 1 1 -20 11  27 o 17.567  7.4083  80.832     241.107  8.3218     423.637  115.572    293.231  20.512  9.2002  19.360  8.1674  1.152531       12.30241  
1 1 1 -20 11  28 o 26.043  8.9401  456.694    304.408  364.480    413.416  565.896    449.888  24.720  9.9863  28.131  10.691  -3.410660      14.62954  
1 1 1 -20 11  29 o 20.433  9.0455  100.919    395.941  100.919    395.941  0.0000     0.0000   20.433  9.0455  ?       ?       0.000000       9.045518  
1 1 1 -20 11  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 11  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 12  1  o 77.639  3.5071  3269.13    294.913  3208.49    343.941  3437.49    573.135  76.782  4.1512  79.175  6.7478  -2.393356      7.922438  
1 1 1 -20 12  2  o 344.474 6.9094  64622.94   2577.92  63768.48   3154.25  66341.79   4473.73  341.692 8.5230  347.125 11.899  -5.433014      14.63655  
1 1 1 -20 12  3  o 390.135 7.7158  83006.68   3260.35  77216.67   5645.05  85904.81   3993.82  373.330 13.961  396.259 9.3055  -22.92889      16.77771  
1 1 1 -20 12  4  o 190.405 7.7696  19775.40   1602.31  0.0000     0.0000   19775.40   1602.31  ?       ?       190.405 7.7696  0.000000       7.769566  
1 1 1 -20 12  5  o 67.037  4.9268  2454.09    355.218  2218.24    446.055  2862.95    587.303  63.495  6.5816  72.053  7.6422  -8.557659      10.08566  
1 1 1 -20 12  6  o 67.766  4.9412  2507.96    360.176  2057.25    446.035  3352.64    610.615  61.072  6.8619  78.078  7.3054  -17.00666      10.02268  
1 1 1 -20 12  7  o 287.319 7.2970  45029.57   2270.82  45216.78   3202.22  44840.21   3220.69  286.894 10.305  285.656 10.410  1.238464       14.64785  
1 1 1 -20 12  8  o 55.244  3.6777  1663.27    218.796  1739.69    254.267  1445.23    429.474  56.453  4.1883  50.813  8.0736  5.639935       9.095359  
1 1 1 -20 12  9  o 160.346 3.4205  13949.13   594.035  14145.18   693.153  13406.89   1152.78  161.418 3.9647  156.778 6.7887  4.639496       7.861641  
1 1 1 -20 12  10 o 201.171 3.9206  21974.65   854.257  21610.01   985.992  23072.30   1710.69  199.400 4.5654  205.359 7.6911  -5.959015      8.944024  
1 1 1 -20 12  11 o 124.899 3.1848  8464.81    430.838  8069.44    500.592  9594.36    846.129  121.897 3.7916  132.655 5.8890  -10.75813      7.004026  
1 1 1 -20 12  12 o 120.313 3.0844  7855.99    401.937  8111.10    465.336  7106.45    797.635  122.212 3.5155  113.831 6.4965  8.381355       7.386677  
1 1 1 -20 12  13 o 111.630 3.0543  6764.92    369.290  7157.52    434.874  5749.74    699.296  114.780 3.4981  102.312 6.3418  12.46812       7.242528  
1 1 1 -20 12  14 o 97.116  2.9911  5121.73    314.618  5501.86    371.101  4150.26    593.258  100.614 3.4054  86.779  6.3561  13.83522       7.210866  
1 1 1 -20 12  15 o 135.486 3.2155  9978.37    471.866  10217.41   550.372  9315.14    916.745  137.014 3.7087  130.154 6.5031  6.860397       7.486308  
1 1 1 -20 12  16 o 91.921  3.0671  4594.11    305.358  4511.30    361.901  4798.78    568.936  91.011  3.6714  93.338  5.6544  -2.327583      6.741756  
1 1 1 -20 12  17 f 31.277  5.1135  549.889    167.237  288.364    275.022  703.330    210.660  24.038  8.4820  35.335  5.6982  -11.29749      10.21829  
1 1 1 -20 12  18 o 100.866 3.0895  5538.43    337.527  5323.62    472.427  5762.40    482.400  98.623  4.4227  102.626 4.3399  -4.003906      6.196365  
1 1 1 -20 12  19 o 42.847  4.4963  1017.61    205.555  1032.87    286.132  1001.34    295.491  42.689  6.3844  41.919  6.7364  0.7706528      9.281193  
1 1 1 -20 12  20 o 42.550  4.6180  1006.51    209.407  1008.33    293.105  1004.61    299.283  42.023  6.6620  41.890  6.8318  0.1323318      9.542284  
1 1 1 -20 12  21 o 100.657 3.4412  5540.54    375.166  6009.35    590.628  5223.44    485.746  104.034 5.2587  97.361  4.6063  6.673401       6.990855  
1 1 1 -20 12  22 f 59.146  4.2069  1936.02    267.744  2043.06    437.741  1872.03    338.433  59.728  6.8931  57.728  5.4783  1.999992       8.804933  
1 1 1 -20 12  23 o 101.259 3.4562  5626.33    379.053  6624.08    604.903  4981.23    486.394  109.022 5.1227  94.614  4.7616  14.40833       6.993935  
1 1 1 -20 12  24 o 55.387  4.6356  1717.10    275.532  678.387    472.068  2253.80    339.329  33.034  11.135  63.350  4.9857  -30.31646      12.20013  
1 1 1 -20 12  25 o 62.039  4.3105  2151.74    287.845  1816.89    481.755  2337.65    358.965  54.670  8.4051  64.225  5.2051  -9.555305      9.886251  
1 1 1 -20 12  26 o 25.838  7.9226  414.649    242.779  242.906    421.522  499.900    296.985  24.086  9.9485  28.025  8.7908  -3.939117      13.27591  
1 1 1 -20 12  27 o 35.558  6.9017  786.508    256.221  649.562    435.741  858.882    316.772  30.134  10.672  36.229  8.2566  -6.095312      13.49294  
1 1 1 -20 12  28 o 35.284  8.1728  826.961    306.200  1063.67    407.311  519.332    464.336  38.671  9.7321  27.362  10.737  11.30889       14.49135  
1 1 1 -20 12  29 o 29.235  10.615  667.411    434.028  667.411    434.028  0.0000     0.0000   29.235  10.615  ?       ?       0.000000       10.61451  
1 1 1 -20 12  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 12  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 13  1  o 134.324 3.1385  9782.74    456.613  8897.01    630.653  10758.66   661.984  128.016 4.5484  140.789 4.3412  -12.77315      6.287558  
1 1 1 -20 13  2  o 57.372  4.1236  1795.33    254.529  1878.12    293.971  1547.40    508.717  58.629  4.6680  52.426  9.2994  6.202995       10.40527  
1 1 1 -20 13  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 13  4  o 224.911 8.6965  27646.55   2118.47  0.0000     0.0000   27646.55   2118.47  ?       ?       224.911 8.6965  0.000000       8.696451  
1 1 1 -20 13  5  o 172.741 5.0945  16212.47   953.170  16012.30   1316.57  16432.95   1381.76  171.410 7.0915  173.607 7.3484  -2.196640      10.21221  
1 1 1 -20 13  6  o 267.526 5.5819  38917.49   1617.41  38667.30   2786.17  39044.66   1986.38  265.580 9.6860  267.687 6.8512  -2.107391      11.86408  
1 1 1 -20 13  7  o 321.813 5.0291  56280.07   1752.93  57087.45   2259.98  55060.81   2777.25  323.753 6.4450  317.440 8.0776  6.312622       10.33371  
1 1 1 -20 13  8  o 289.186 5.1918  45467.63   1626.17  46986.19   1877.89  40914.87   3251.56  293.807 5.9012  272.457 11.019  21.34946       12.49926  
1 1 1 -20 13  9  o 188.435 3.7875  19273.06   773.007  18941.19   891.854  20275.30   1549.87  186.730 4.4097  192.649 7.4278  -5.919601      8.638120  
1 1 1 -20 13  10 f 105.749 3.0130  6065.85    345.104  6164.37    398.103  5767.97    692.239  106.578 3.4487  102.662 6.2553  3.916031       7.143035  
1 1 1 -20 13  11 o 59.757  3.6510  1946.12    235.167  1870.51    282.027  2118.65    426.028  58.484  4.4865  61.966  6.4418  -3.482433      7.850223  
1 1 1 -20 13  12 f 98.205  2.9796  5233.56    316.925  5513.42    367.315  4418.27    626.932  100.768 3.3655  89.660  6.5000  11.10840       7.319566  
1 1 1 -20 13  13 o 111.625 2.9963  6763.95    362.260  6990.79    428.153  6192.40    679.630  113.434 3.4849  106.276 5.9279  7.157967       6.876361  
1 1 1 -20 13  14 o 55.866  3.4135  1702.67    205.554  1673.95    245.499  1770.00    375.952  55.297  4.1288  56.492  6.2490  -1.194469      7.489776  
1 1 1 -20 13  15 o 103.792 3.0134  5853.71    338.754  5990.42    396.588  5484.81    651.464  104.937 3.4893  99.785  6.0564  5.152573       6.989673  
1 1 1 -20 13  16 o 30.911  5.4037  538.660    174.329  338.216    217.449  899.250    291.654  24.612  7.4885  39.776  7.0268  -15.16363      10.26903  
1 1 1 -20 13  17 o 49.222  3.6607  1327.82    193.763  1330.10    307.282  1326.32    249.652  48.800  5.9359  48.993  4.7649  -0.1937790     7.611827  
1 1 1 -20 13  18 o 18.140  6.7850  140.185    179.589  148.730    244.708  130.210    264.386  20.124  7.8231  20.260  8.0534  -0.1358395     11.22755  
1 1 1 -20 13  19 o 27.908  6.4786  449.769    192.062  505.410    268.495  391.462    274.852  29.459  8.1430  26.457  8.4756  3.002279       11.75344  
1 1 1 -20 13  20 o 47.169  4.2796  1230.39    216.257  1236.54    303.719  1224.06    307.991  46.786  6.1420  46.504  6.2749  0.2814560      8.780586  
1 1 1 -20 13  21 o 113.209 3.4368  7008.94    421.408  7156.24    649.719  6901.97    553.662  113.642 5.2786  111.924 4.5672  1.717491       6.980161  
1 1 1 -20 13  22 o 20.669  7.6306  202.379    225.678  652.953    391.293  -22.2073   276.255  32.848  10.056  17.667  7.6963  15.18103       12.66298  
1 1 1 -20 13  23 o 66.665  3.9995  2458.13    287.450  3203.10    474.538  2026.34    361.274  75.268  5.8673  59.877  5.6370  15.39059       8.136365  
1 1 1 -20 13  24 o 83.071  3.6508  3799.98    328.476  4759.69    533.384  3213.64    416.914  91.945  5.3795  75.636  5.1193  16.30875       7.426026  
1 1 1 -20 13  25 o 21.324  7.8019  234.848    235.138  -194.2593  410.930  443.747    286.717  19.006  8.7318  27.054  8.6555  -8.047773      12.29482  
1 1 1 -20 13  26 o ?       ?       -178.8172  29.044   123.871    401.298  -180.4112  29.121   22.046  9.4366  ?       ?       0.000000       9.436573  
1 1 1 -20 13  27 f 15.664  6.9215  -13.1011   230.766  -449.9914  377.432  247.720    291.625  15.364  7.4309  21.701  8.5111  -6.336765      11.29856  
1 1 1 -20 13  28 o 23.779  9.7042  316.285    395.035  316.285    395.035  0.0000     0.0000   23.779  9.7042  ?       ?       0.000000       9.704224  
1 1 1 -20 13  29 o 14.482  7.0877  -513.1074  372.352  -513.1074  372.352  0.0000     0.0000   14.482  7.0877  ?       ?       0.000000       7.087695  
1 1 1 -20 13  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 13  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 14  1  o 68.396  3.2502  2536.60    240.776  2505.32    309.540  2584.52    383.128  67.811  4.2357  68.778  5.1812  -0.9666977     6.692229  
1 1 1 -20 14  2  o 111.826 5.8044  6817.78    700.607  6817.78    700.607  0.0000     0.0000   111.826 5.8044  ?       ?       0.000000       5.804402  
1 1 1 -20 14  3  o 220.015 8.3626  26437.56   1992.81  26437.56   1992.81  0.0000     0.0000   220.015 8.3626  ?       ?       0.000000       8.362644  
1 1 1 -20 14  4  o 236.382 8.9382  30559.96   2288.41  0.0000     0.0000   30559.96   2288.41  ?       ?       236.382 8.9382  0.000000       8.938186  
1 1 1 -20 14  5  o 60.792  4.8052  2019.72    313.812  1945.00    378.884  2182.96    560.026  59.501  5.9593  62.650  8.4703  -3.149357      10.35655  
1 1 1 -20 14  6  o 42.224  4.5508  979.350    204.836  925.252    257.838  1071.91    337.264  40.805  6.0143  43.744  7.3811  -2.938766      9.521216  
1 1 1 -20 14  7  o 201.983 3.9326  22141.45   860.328  22694.77   993.218  20478.76   1721.71  204.425 4.4858  193.553 8.2128  10.87212       9.358001  
1 1 1 -20 14  8  o 125.814 3.1177  8584.72    424.845  8708.18    491.814  8221.71    843.318  126.686 3.5843  122.682 6.3685  4.004021       7.307861  
1 1 1 -20 14  9  o 296.622 5.2883  47864.40   1698.99  47212.80   1961.32  49823.22   3400.59  294.362 6.1517  300.669 10.442  -6.307709      12.11962  
1 1 1 -20 14  10 o 189.789 3.7874  19557.04   778.554  19412.73   898.152  19993.23   1561.52  189.005 4.3874  191.166 7.5417  -2.161316      8.725009  
1 1 1 -20 14  11 o 127.205 3.2077  8781.35    441.949  8677.20    514.688  9073.68    862.304  126.399 3.7595  128.941 6.1745  -2.541565      7.228950  
1 1 1 -20 14  12 o 143.974 3.2867  11254.24   512.530  10806.45   592.013  12594.07   1024.05  141.011 3.8762  151.805 6.2283  -10.79369      7.335951  
1 1 1 -20 14  13 o 219.744 4.1925  26274.76   997.836  25986.91   1153.23  27132.21   1990.38  218.354 4.8762  221.777 8.2861  -3.422958      9.614389  
1 1 1 -20 14  14 o 127.821 3.1355  8875.94    434.095  8877.31    504.464  8872.05    852.107  127.760 3.6456  127.215 6.1842  0.5446625      7.178761  
1 1 1 -20 14  15 o 62.847  3.2399  2153.11    219.791  2204.98    261.442  2028.12    405.878  63.521  3.8178  60.433  6.2931  3.087860       7.360619  
1 1 1 -20 14  16 o 45.108  3.9855  1118.00    192.717  1263.50    237.306  836.167    330.268  47.861  4.6359  38.041  8.2531  9.820522       9.465976  
1 1 1 -20 14  17 o 62.873  3.5471  2160.77    240.561  2111.38    299.071  2251.28    404.890  61.975  4.4857  63.661  5.9408  -1.685127      7.444078  
1 1 1 -20 14  18 o 119.564 3.1633  7785.14    409.643  7400.62    575.345  8180.48    583.384  116.223 4.5705  122.243 4.4062  -6.020180      6.348539  
1 1 1 -20 14  19 o 124.351 3.2022  8429.83    431.287  8115.82    607.672  8748.55    612.217  121.581 4.6146  126.282 4.4760  -4.701347      6.428798  
1 1 1 -20 14  20 o 60.561  3.7721  2014.27    246.197  1567.35    355.574  2425.83    341.219  52.681  6.3604  66.214  4.7903  -13.53258      7.962506  
1 1 1 -20 14  21 o 59.543  4.3094  1959.69    276.043  2081.05    470.028  1895.79    341.057  60.250  7.3555  58.199  5.4749  2.050377       9.169356  
1 1 1 -20 14  22 o 40.829  6.0154  952.437    258.043  1088.62    419.278  869.402    327.392  42.331  9.3905  38.203  8.1602  4.128510       12.44063  
1 1 1 -20 14  23 o 82.984  3.5958  3783.87    323.192  3819.76    505.041  3758.99    420.586  82.311  5.7001  82.147  4.7473  0.1641617      7.418092  
1 1 1 -20 14  24 o 96.365  3.4501  5104.78    360.099  5472.08    555.805  4839.07    472.734  98.710  5.2172  93.125  4.7021  5.585754       7.023406  
1 1 1 -20 14  25 o 23.867  7.7864  333.961    231.296  -8.5244    384.969  527.429    289.341  20.416  8.9841  29.183  8.5823  -8.767906      12.42454  
1 1 1 -20 14  26 o 16.690  7.1147  41.336     226.445  219.481    369.699  -65.6283   286.472  22.868  9.3665  16.805  7.5495  6.063469       12.03024  
1 1 1 -20 14  27 o 16.780  7.2766  31.536     244.696  -572.9230  378.079  467.237    320.991  14.560  7.1290  26.546  9.1765  -11.98619      11.62028  
1 1 1 -20 14  28 o 24.081  9.9039  325.012    415.457  325.012    415.457  0.0000     0.0000   24.081  9.9039  ?       ?       0.000000       9.903921  
1 1 1 -20 14  29 o 23.628  9.6654  342.234    393.044  342.234    393.044  0.0000     0.0000   23.628  9.6654  ?       ?       0.000000       9.665404  
1 1 1 -20 14  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 14  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 15  1  o 172.409 4.9788  16147.10   929.724  15922.64   1312.48  16373.17   1317.19  170.938 7.0890  173.351 7.0154  -2.412552      9.973435  
1 1 1 -20 15  2  o 96.201  4.3298  5023.42    451.146  4716.91    590.168  5454.35    699.777  92.944  5.8930  99.889  6.5035  -6.945251      8.776245  
1 1 1 -20 15  3  o 49.900  7.8069  1390.51    408.105  1390.51    408.105  0.0000     0.0000   49.900  7.8069  ?       ?       0.000000       7.806869  
1 1 1 -20 15  4  o 102.152 6.7083  5707.40    738.097  0.0000     0.0000   5707.40    738.097  ?       ?       102.152 6.7083  0.000000       6.708344  
1 1 1 -20 15  5  o 158.114 4.0801  13568.14   698.726  14745.68   1190.58  12949.48   862.971  164.533 6.6809  154.367 5.1615  10.16626       8.442461  
1 1 1 -20 15  6  o 266.484 4.2580  38552.07   1229.00  39221.94   1583.47  37537.15   1949.08  268.582 5.4433  262.443 6.8569  6.138947       8.754775  
1 1 1 -20 15  7  o 244.649 4.5004  32506.68   1192.52  31794.85   1376.87  34643.91   2385.77  241.829 5.2567  251.562 8.7562  -9.732666      10.21289  
1 1 1 -20 15  8  o 207.350 3.9925  23339.84   896.632  22891.29   1035.29  24685.99   1793.52  205.258 4.6568  212.526 7.7915  -7.267654      9.077122  
1 1 1 -20 15  9  o 65.615  3.4313  2342.45    243.005  2529.42    284.790  1841.83    466.009  68.148  3.8743  57.547  7.6674  10.60146       8.590630  
1 1 1 -20 15  10 o 169.146 3.5326  15529.54   647.174  15110.18   746.099  16803.86   1300.61  166.777 4.1304  175.397 6.8463  -8.620209      7.995739  
1 1 1 -20 15  11 o 90.810  3.1577  4475.22    310.577  4218.65    364.523  5154.78    593.241  88.126  3.8190  97.075  5.6669  -8.949059      6.833601  
1 1 1 -20 15  12 o 136.169 3.2246  10066.56   475.583  10022.96   550.365  10195.08   944.963  135.815 3.7414  136.537 6.3899  -0.7219849     7.404667  
1 1 1 -20 15  13 o 27.764  6.0821  437.912    177.838  427.243    210.874  464.190    330.932  27.387  7.0630  29.167  9.2955  -1.779835      11.67446  
1 1 1 -20 15  14 o 106.477 2.9826  6157.72    343.967  6463.45    401.495  5314.27    666.872  109.041 3.3996  98.228  6.3014  10.81316       7.159911  
1 1 1 -20 15  15 o 238.372 4.4659  31008.07   1153.01  30983.88   1332.40  31080.20   2300.78  237.971 5.1694  235.909 9.0045  2.062439       10.38287  
1 1 1 -20 15  16 o 87.790  3.0800  4191.29    292.865  4080.08    346.575  4469.04    547.697  86.538  3.6976  90.042  5.6445  -3.503441      6.747803  
1 1 1 -20 15  17 o 150.491 3.3773  12334.60   550.492  12673.67   644.113  11415.86   1060.26  152.402 3.9021  143.535 6.8200  8.866409       7.857430  
1 1 1 -20 15  18 o 141.030 3.8335  10860.75   585.573  10009.91   1005.19  11297.82   720.444  133.970 6.9513  143.567 4.6331  -9.597382      8.353832  
1 1 1 -20 15  19 o 76.805  3.2708  3217.07    272.095  3232.67    382.023  3201.02    387.638  76.591  4.6269  76.187  4.7209  0.4040680      6.610176  
1 1 1 -20 15  20 o 67.053  3.5650  2464.35    257.980  2708.90    373.650  2241.58    356.624  69.928  4.9657  63.498  5.2319  6.429558       7.213244  
1 1 1 -20 15  21 o 107.195 3.2337  6278.22    375.446  6340.10    541.566  6220.96    520.956  107.212 4.6638  106.256 4.5266  0.9561539      6.499325  
1 1 1 -20 15  22 o 48.147  5.0591  1300.14    259.877  1348.56    450.630  1276.00    318.104  47.354  9.1169  47.223  6.3828  0.1305428      11.12915  
1 1 1 -20 15  23 o 24.537  7.7342  348.725    229.585  656.482    380.944  173.184    287.704  32.664  9.9057  21.276  8.4189  11.38778       13.00003  
1 1 1 -20 15  24 o 33.936  6.6713  678.434    236.475  367.589    387.349  863.122    298.572  26.543  9.9575  38.026  7.5157  -11.48350      12.47549  
1 1 1 -20 15  25 f 43.161  5.3593  1067.44    245.145  1031.99    390.327  1090.53    315.026  40.479  9.1214  42.826  7.0359  -2.347015      11.51972  
1 1 1 -20 15  26 o 52.764  4.8679  1592.93    275.061  1526.46    418.064  1643.66    365.252  49.459  8.0835  52.501  6.5669  -3.042412      10.41479  
1 1 1 -20 15  27 o 47.126  2.0656  1216.23    105.432  1253.59    111.258  887.247    330.138  47.822  2.1480  36.595  8.4929  11.22699       8.760318  
1 1 1 -20 15  28 o 18.968  8.5678  -18.0626   374.843  -18.0626   374.843  0.0000     0.0000   18.968  8.5678  ?       ?       0.000000       8.567782  
1 1 1 -20 15  29 o 30.291  10.316  713.909    405.209  713.909    405.209  0.0000     0.0000   30.291  10.316  ?       ?       0.000000       10.31577  
1 1 1 -20 15  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 15  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 16  1  o 319.075 7.8918  55570.11   2727.35  53732.13   3853.52  57414.86   3860.61  312.433 11.388  323.124 11.031  -10.69055      15.85434  
1 1 1 -20 16  2  o 221.858 5.9543  26774.80   1430.80  26866.13   2012.89  26681.53   2034.19  221.753 8.3807  220.962 8.4997  0.7908936      11.93654  
1 1 1 -20 16  3  o 199.849 7.7757  21795.28   1683.11  21795.28   1683.11  0.0000     0.0000   199.849 7.7757  ?       ?       0.000000       7.775684  
1 1 1 -20 16  4  o 167.447 4.0243  15216.01   729.852  14739.47   884.986  16229.28   1290.49  164.715 4.9606  172.583 6.9038  -7.868271      8.501142  
1 1 1 -20 16  5  o 275.193 5.7371  41191.64   1710.00  40027.55   2952.65  41779.13   2097.58  270.047 10.095  276.855 6.9951  -6.808105      12.28164  
1 1 1 -20 16  6  f 186.820 3.7264  18937.15   754.019  19508.20   871.327  17234.35   1504.62  189.562 4.2438  177.648 7.8198  11.91415       8.897161  
1 1 1 -20 16  7  o 200.361 3.9148  21788.59   849.557  22158.67   980.826  20676.93   1699.94  201.986 4.4833  194.485 8.0701  7.500641       9.231791  
1 1 1 -20 16  8  o 91.830  2.9106  4572.75    289.489  5027.47    334.673  3221.54    576.913  96.274  3.2095  76.518  7.0400  19.75562       7.737127  
1 1 1 -20 16  9  o 41.266  4.5916  936.823    201.745  1039.00    237.270  670.173    383.299  43.404  5.1475  34.461  9.8026  8.942261       11.07189  
1 1 1 -20 16  10 o 131.195 3.1884  9339.09    453.067  9594.63    515.997  8478.93    946.688  132.945 3.5835  124.351 7.0580  8.593468       7.915588  
1 1 1 -20 16  11 f 33.719  5.3345  634.403    188.339  445.902    223.041  1102.77    351.577  28.019  7.2825  44.248  7.6104  -16.22876      10.53344  
1 1 1 -20 16  12 f 156.274 3.4121  13263.58   577.537  12603.55   667.370  15232.14   1152.55  152.248 4.0471  166.876 6.3767  -14.62807      7.552600  
1 1 1 -20 16  13 o 100.871 3.0363  5524.77    331.726  5337.90    385.396  6059.05    651.665  99.099  3.5906  105.129 5.7449  -6.030022      6.774653  
1 1 1 -20 16  14 o 17.344  6.2820  136.959    151.892  125.114    185.335  161.191    265.083  17.994  6.8563  21.066  8.1554  -3.072552      10.65457  
1 1 1 -20 16  15 o 38.884  4.3393  834.860    179.635  792.320    217.051  927.343    320.035  37.649  5.4839  40.302  7.6105  -2.653645      9.380480  
1 1 1 -20 16  16 o 116.546 3.1464  7388.56    397.172  7087.51    464.141  8211.86    767.559  114.040 3.7577  122.223 5.7982  -8.182922      6.909339  
1 1 1 -20 16  17 o 158.262 3.4855  13647.01   597.461  13856.85   698.968  13077.82   1151.18  159.304 4.0510  153.560 6.9214  5.743973       8.019744  
1 1 1 -20 16  18 f 163.996 3.5252  14668.63   626.164  14124.63   887.214  15208.52   883.855  160.303 5.1100  166.437 4.9030  -6.134399      7.081723  
1 1 1 -20 16  19 o 111.518 3.1892  6780.25    385.207  6336.33    549.167  7210.22    540.468  107.379 4.7219  114.670 4.3516  -7.291283      6.421261  
1 1 1 -20 16  20 o 18.464  7.0471  138.282    195.994  367.139    285.785  -64.9386   269.303  25.868  8.6640  16.921  7.4770  8.946779       11.44423  
1 1 1 -20 16  21 o 21.428  7.3706  242.029    206.958  261.972    310.788  226.140    277.412  23.763  8.9184  22.362  8.4194  1.400930       12.26477  
1 1 1 -20 16  22 o 45.024  5.2331  1141.57    250.434  900.189    419.000  1275.73    312.369  38.203  10.007  47.260  6.2563  -9.056995      11.80163  
1 1 1 -20 16  23 o 102.355 3.3739  5748.11    374.039  6267.96    563.487  5338.63    500.107  106.122 4.9024  98.041  4.7096  8.080696       6.798064  
1 1 1 -20 16  24 o 58.986  4.2089  1936.18    267.134  2077.92    417.526  1837.94    347.586  60.029  6.5270  56.822  5.7258  3.206554       8.682508  
1 1 1 -20 16  25 o 36.728  6.2543  792.899    239.881  1468.67    387.578  373.303    305.405  49.550  7.4526  25.421  8.9417  24.12894       11.64020  
1 1 1 -20 16  26 o 62.623  4.2939  2215.46    289.484  2103.58    470.756  2283.49    367.096  58.546  7.6033  62.803  5.4508  -4.256580      9.355313  
1 1 1 -20 16  27 o 37.718  6.4649  871.558    254.600  571.910    416.395  1050.47    321.753  28.608  10.395  40.646  7.5876  -12.03807      12.86978  
1 1 1 -20 16  28 o 11.374  2.9590  74.527     36.800   74.527     36.800   0.0000     0.0000   11.374  2.9590  ?       ?       0.000000       2.958994  
1 1 1 -20 16  29 o 29.226  10.548  670.949    427.644  670.949    427.644  0.0000     0.0000   29.226  10.548  ?       ?       0.000000       10.54762  
1 1 1 -20 16  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 17  1  o 164.460 4.8156  14691.26   857.787  13950.20   1201.36  15461.98   1225.17  160.002 6.9323  168.481 6.7139  -8.479004      9.650610  
1 1 1 -20 17  2  f 57.844  4.5047  1827.66    280.002  1647.71    376.914  2049.27    418.274  54.632  6.4971  61.021  6.4252  -6.388435      9.137634  
1 1 1 -20 17  3  o 292.935 5.1939  46633.34   1647.90  45210.61   2324.61  48070.54   2336.41  287.902 7.4548  296.922 7.2650  -9.019684      10.40935  
1 1 1 -20 17  4  o 293.837 5.9749  46977.36   1901.54  46233.26   2324.35  48483.21   3306.57  291.145 7.3709  297.152 10.274  -6.007019      12.64438  
1 1 1 -20 17  5  o 205.051 3.9214  22817.34   870.905  22479.10   1226.47  23161.35   1236.88  203.312 5.5696  206.380 5.5334  -3.067810      7.851060  
1 1 1 -20 17  6  o 103.224 2.9409  5777.34    328.803  6035.04    380.694  5020.61    652.367  105.483 3.3321  95.812  6.3219  9.670975       7.146308  
1 1 1 -20 17  7  o 227.655 4.5202  28151.72   1114.56  28313.64   1209.72  27242.36   2866.85  228.250 4.8933  221.640 11.987  6.609619       12.94714  
1 1 1 -20 17  8  o 127.734 3.1115  8849.61    430.471  8783.78    497.602  9045.41    858.174  127.225 3.6111  128.853 6.1491  -1.628067      7.131023  
1 1 1 -20 17  9  o 161.175 3.5891  14099.57   626.549  14014.86   694.791  14468.35   1449.70  160.647 3.9931  162.285 8.2751  -1.637573      9.188168  
1 1 1 -20 17  10 o 121.146 3.1203  7963.01    409.429  8020.34    473.518  7793.17    814.991  121.544 3.5969  119.336 6.3280  2.208588       7.278849  
1 1 1 -20 17  11 o 185.026 3.7531  18597.56   752.131  19094.46   869.306  17118.03   1500.03  187.394 4.2830  176.594 7.8425  10.79968       8.935779  
1 1 1 -20 17  12 o 42.759  4.1689  1003.82    190.618  826.278    223.071  1484.34    366.983  38.535  5.5008  51.641  6.7204  -13.10634      8.684628  
1 1 1 -20 17  13 o 51.154  3.6670  1429.91    201.823  1426.79    236.098  1438.39    388.929  51.011  4.3137  50.648  7.3007  0.3624763      8.479906  
1 1 1 -20 17  14 o 129.676 3.1642  9137.91    444.424  9113.36    515.991  9208.45    874.692  129.424 3.6809  129.540 6.2342  -0.1157837     7.239808  
1 1 1 -20 17  15 o 130.452 3.1758  9253.07    448.714  8838.93    520.570  10450.28   885.100  127.394 3.7728  137.949 5.9238  -10.55550      7.023225  
1 1 1 -20 17  16 o 72.353  3.1637  2847.91    247.924  2920.46    296.005  2677.41    453.797  73.107  3.7509  69.476  6.0921  3.631477       7.154206  
1 1 1 -20 17  17 f 37.868  5.1870  801.166    207.152  977.698    257.223  475.368    349.439  41.744  5.8498  29.321  9.5708  12.42264       11.21695  
1 1 1 -20 17  18 o 47.141  1.9939  1206.27    101.807  845.578    337.383  1242.40    106.785  38.048  8.4105  47.838  2.0609  -9.789768      8.659345  
1 1 1 -20 17  19 o 119.511 3.2292  7788.73    417.999  7641.80    594.870  7932.02    587.480  117.940 4.6568  120.211 4.5121  -2.271133      6.484228  
1 1 1 -20 17  20 o 111.782 3.1519  6817.31    381.604  6256.98    537.503  7386.75    541.862  106.625 4.6543  115.983 4.3134  -9.357956      6.345698  
1 1 1 -20 17  21 o 89.832  3.2814  4411.17    319.269  4332.07    461.697  4483.67    441.978  88.417  4.8395  90.075  4.5450  -1.657761      6.639088  
1 1 1 -20 17  22 o 33.966  6.6045  671.873    234.220  933.563    382.264  514.574    296.369  39.195  9.1679  29.385  8.6983  9.809483       12.63765  
1 1 1 -20 17  23 o 16.903  1.9891  157.552    35.718   305.368    384.083  156.263    35.874   25.502  9.8323  16.829  2.0077  8.672123       10.03520  
1 1 1 -20 17  24 o 44.415  5.4082  1123.02    254.793  1438.62    414.854  931.866    322.862  49.013  8.0975  39.374  7.8463  9.639610       11.27533  
1 1 1 -20 17  25 o 35.968  6.8830  773.742    258.370  1209.29    414.097  496.103    330.618  43.897  9.0114  28.345  9.3123  15.55215       12.95858  
1 1 1 -20 17  26 o 14.712  6.6623  -81.7365   228.319  -456.2201  390.616  112.605    281.395  15.870  7.6467  19.312  8.0648  -3.442062      11.11363  
1 1 1 -20 17  27 o 21.585  8.4282  248.273    284.995  260.566    377.700  232.022    434.286  23.003  9.4498  23.301  9.8908  -0.2979126     13.67940  
1 1 1 -20 17  28 o 23.115  9.6627  272.966    404.529  272.966    404.529  0.0000     0.0000   23.115  9.6627  ?       ?       0.000000       9.662663  
1 1 1 -20 17  29 o 18.423  8.4535  -51.8045   383.481  -51.8045   383.481  0.0000     0.0000   18.423  8.4535  ?       ?       0.000000       8.453510  
1 1 1 -20 17  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 18  1  o 101.377 3.9794  5577.38    436.952  5380.83    591.560  5813.38    648.206  99.328  5.5205  103.215 5.8221  -3.887619      8.023204  
1 1 1 -20 18  2  o 202.358 3.9144  22220.48   857.944  21775.08   1205.49  22677.63   1221.29  200.115 5.5618  204.226 5.5213  -4.111191      7.836966  
1 1 1 -20 18  3  o 118.143 3.1703  7568.90    405.675  7455.81    550.805  7702.98    599.736  117.189 4.3395  119.094 4.6494  -1.904846      6.359914  
1 1 1 -20 18  4  f 153.380 3.8439  12765.52   638.573  13416.77   780.526  11447.22   1110.50  157.178 4.5848  144.903 7.0757  12.27536       8.431298  
1 1 1 -20 18  5  o 33.523  6.4039  632.265    224.040  499.114    319.845  760.529    313.920  30.070  9.0672  36.602  8.1300  -6.532515      12.17830  
1 1 1 -20 18  6  o 85.717  3.4462  3985.76    319.951  4107.49    399.717  3768.68    533.780  86.978  4.2430  82.997  5.9779  3.980980       7.330625  
1 1 1 -20 18  7  o 258.158 4.7083  36213.29   1316.50  36044.35   1520.01  36720.51   2633.80  257.409 5.4520  258.671 9.4008  -1.262360      10.86733  
1 1 1 -20 18  8  o 144.547 3.2664  11334.71   511.380  11179.24   591.627  11794.06   1016.93  143.507 3.8063  147.087 6.3833  -3.579712      7.431998  
1 1 1 -20 18  9  o 108.606 3.0440  6398.36    358.075  6158.67    413.043  7123.40    718.381  106.519 3.5801  114.198 5.8274  -7.678780      6.839282  
1 1 1 -20 18  10 o 61.990  3.3975  2092.03    227.246  2057.35    263.372  2193.06    449.557  61.411  3.9810  63.012  6.6894  -1.600151      7.784391  
1 1 1 -20 18  11 o 34.788  4.9203  671.854    180.223  737.858    208.742  478.590    357.190  36.393  5.4644  29.836  9.6730  6.557909       11.10975  
1 1 1 -20 18  12 o 54.819  3.5314  1639.42    208.561  1505.95    242.507  2018.56    408.735  52.433  4.3083  60.418  6.3406  -7.984467      7.665813  
1 1 1 -20 18  13 o 99.240  3.0137  5348.07    323.934  5280.51    375.602  5544.23    639.984  98.562  3.5184  100.487 5.9061  -1.924660      6.874717  
1 1 1 -20 18  14 o 83.049  3.0265  3747.13    272.232  3447.74    314.836  4634.21    541.940  79.604  3.6516  91.867  5.4713  -12.26309      6.577940  
1 1 1 -20 18  15 o 104.955 2.9848  5987.18    339.311  5751.16    402.462  6567.28    630.954  102.779 3.6153  109.493 5.3204  -6.713547      6.432496  
1 1 1 -20 18  16 o 70.334  3.3975  2693.33    258.822  2804.57    319.710  2481.77    440.888  71.563  4.1425  66.844  6.1590  4.719673       7.422495  
1 1 1 -20 18  17 o 47.043  4.1962  1218.65    211.563  1358.94    255.768  914.701    376.475  49.571  4.8249  39.547  8.9925  10.02374       10.20518  
1 1 1 -20 18  18 o 44.242  4.8983  1087.60    230.785  1084.36    271.019  1096.14    440.191  43.946  5.8385  43.039  9.6779  0.9063339      11.30260  
1 1 1 -20 18  19 o 75.935  3.3724  3146.52    277.362  2773.72    396.474  3503.85    388.157  70.742  5.2112  79.770  4.5111  -9.027954      6.892460  
1 1 1 -20 18  20 o 24.025  6.9851  331.359    192.644  343.681    268.669  318.319    276.375  25.072  8.4005  24.549  8.5133  0.5237808      11.96012  
1 1 1 -20 18  21 o 56.308  4.1153  1751.50    249.242  1983.83    375.395  1568.35    333.310  59.349  5.9188  52.699  5.9433  6.649822       8.387769  
1 1 1 -20 18  22 o 72.539  3.7229  2897.01    291.512  2818.99    446.370  2955.04    384.939  70.696  5.8829  72.828  4.9086  -2.132385      7.661813  
1 1 1 -20 18  23 o 32.325  6.9341  617.855    235.494  341.461    386.278  781.349    297.089  26.170  9.9159  36.102  7.8236  -9.931911      12.63066  
1 1 1 -20 18  24 o 114.374 3.3077  7186.32    409.748  7573.20    591.742  6829.95    567.933  116.581 4.6864  110.678 4.7377  5.902725       6.663898  
1 1 1 -20 18  25 o 63.735  2.8121  2228.39    194.126  2579.24    462.701  2153.44    213.858  66.488  6.5087  62.469  3.1712  4.019234       7.240087  
1 1 1 -20 18  26 o 23.645  7.7843  342.785    230.979  385.028    371.555  316.178    294.882  25.546  9.7141  23.472  8.7110  2.074406       13.04784  
1 1 1 -20 18  27 o 28.969  8.6533  563.444    292.324  542.062    385.740  592.289    448.035  28.058  10.030  28.957  10.739  -0.8987637     14.69448  
1 1 1 -20 18  28 o 29.538  10.491  652.468    421.414  652.468    421.414  0.0000     0.0000   29.538  10.491  ?       ?       0.000000       10.49126  
1 1 1 -20 18  29 o 12.670  2.5107  91.782     33.236   91.782     33.236   0.0000     0.0000   12.670  2.5107  ?       ?       0.000000       2.510679  
1 1 1 -20 18  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 19  1  o 66.947  3.1422  2430.44    227.846  2181.96    298.461  2777.54    352.744  63.243  4.3843  71.369  4.5876  -8.125999      6.345718  
1 1 1 -20 19  2  o 161.806 3.6229  14203.45   634.922  14571.67   858.736  13759.42   943.000  163.777 4.8410  159.078 5.4731  4.699280       7.306837  
1 1 1 -20 19  3  o 80.160  2.8972  3483.78    251.541  3485.86    335.801  3481.12    379.696  80.149  3.8682  79.950  4.4017  0.1985550      5.859891  
1 1 1 -20 19  4  o 189.191 3.7400  19420.92   766.368  20061.39   884.198  17486.80   1536.53  192.232 4.2467  178.928 7.9285  13.30403       8.994221  
1 1 1 -20 19  5  o 164.059 3.9903  14608.64   709.048  14834.64   866.205  14149.67   1234.39  165.236 4.8400  161.077 7.0754  4.159714       8.572447  
1 1 1 -20 19  6  o 129.418 3.5962  9087.71    504.096  8714.92    618.932  9822.26    868.805  126.667 4.5114  134.324 5.9717  -7.656586      7.484231  
1 1 1 -20 19  7  o 125.357 3.1116  8523.02    422.475  8670.12    489.116  8090.83    838.385  126.404 3.5726  121.681 6.3837  4.723724       7.315343  
1 1 1 -20 19  8  o 156.934 3.3868  13363.08   575.677  13317.47   664.523  13500.26   1152.46  156.615 3.9175  157.287 6.7649  -0.6721191     7.817334  
1 1 1 -20 19  9  o 48.267  3.7041  1272.21    192.165  1247.22    221.613  1347.93    385.795  47.713  4.3356  49.094  7.4928  -1.380478      8.656758  
1 1 1 -20 19  10 o 49.904  3.8155  1360.55    204.670  1316.97    236.560  1490.26    408.162  49.007  4.5072  51.638  7.5185  -2.631073      8.766023  
1 1 1 -20 19  11 o 200.431 3.9332  21834.22   853.856  22001.44   984.873  21328.15   1713.33  201.080 4.5221  196.972 8.0309  4.107895       9.216580  
1 1 1 -20 19  12 o 236.236 4.4041  30378.10   1126.87  30210.13   1300.94  30882.80   2255.06  235.376 5.1030  236.384 8.8079  -1.007935      10.17934  
1 1 1 -20 19  13 o 179.408 3.6701  17503.82   713.157  17592.44   823.885  17238.98   1424.23  179.739 4.2321  176.909 7.4329  2.829346       8.553288  
1 1 1 -20 19  14 o 152.468 3.5267  12645.64   582.390  12543.97   649.927  13059.98   1312.04  151.767 3.9538  153.376 7.9251  -1.609222      8.856605  
1 1 1 -20 19  15 o 15.115  6.0640  60.686     151.302  54.244     185.000  73.699     262.933  16.224  6.6332  19.203  7.8861  -2.979141      10.30487  
1 1 1 -20 19  16 o 44.666  2.1751  1082.83    105.227  1166.86    256.261  1065.78    115.405  45.833  5.2572  44.236  2.4178  1.597328       5.786585  
1 1 1 -20 19  17 o 36.667  5.4590  754.793    210.191  909.503    263.387  483.480    348.795  40.123  6.2657  29.479  9.5588  10.64391       11.42931  
1 1 1 -20 19  18 o 37.840  5.4825  804.862    218.153  825.344    262.108  758.687    393.548  38.037  6.6016  35.805  9.8428  2.231823       11.85163  
1 1 1 -20 19  19 o 79.320  3.2519  3431.75    279.376  3176.48    390.589  3699.16    399.765  75.858  4.7783  81.961  4.5207  -6.103905      6.577948  
1 1 1 -20 19  20 o 21.166  7.0684  240.656    190.212  210.595    265.346  272.432    272.809  21.837  8.2317  23.390  8.4269  -1.553564      11.78024  
1 1 1 -20 19  21 o 31.291  6.6911  570.590    219.903  303.144    338.667  765.546    289.150  25.051  9.3278  36.059  7.6409  -11.00861      12.05785  
1 1 1 -20 19  22 o 69.304  3.7553  2646.18    280.833  2851.78    427.071  2489.54    372.761  71.238  5.5796  66.695  5.2013  4.543213       7.627980  
1 1 1 -20 19  23 o 22.597  7.6427  282.851    222.401  206.523    354.562  332.362    285.564  23.236  9.2968  24.632  8.6473  -1.395958      12.69674  
1 1 1 -20 19  24 o 54.231  4.5097  1646.34    262.487  1520.79    407.791  1735.15    342.987  50.595  7.6830  55.095  5.8365  -4.500443      9.648539  
1 1 1 -20 19  25 o 60.913  4.1459  2076.03    271.902  2187.24    421.465  1996.74    355.862  61.178  6.4582  58.940  5.6435  2.238377       8.576537  
1 1 1 -20 19  26 o 48.977  4.5099  1368.57    236.547  1540.42    402.703  1278.03    292.286  49.725  7.7281  46.473  5.9430  3.252586       9.748976  
1 1 1 -20 19  27 o 14.925  6.9978  -198.4387  285.251  105.168    388.513  -553.5092  420.153  20.931  9.1224  15.694  7.6478  5.237021       11.90409  
1 1 1 -20 19  28 o 27.367  10.102  533.770    395.489  533.770    395.489  0.0000     0.0000   27.367  10.102  ?       ?       0.000000       10.10174  
1 1 1 -20 19  29 o 38.747  10.378  1158.97    444.276  1158.97    444.276  0.0000     0.0000   38.747  10.378  ?       ?       0.000000       10.37818  
1 1 1 -20 19  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 20  1  o 127.409 3.0510  8802.31    421.031  8707.75    581.183  8906.76    610.774  126.648 4.2369  128.074 4.4030  -1.426453      6.110430  
1 1 1 -20 20  2  o 89.049  2.8709  4299.20    276.898  4567.63    379.465  3993.49    404.964  91.747  3.8186  85.649  4.3800  6.097832       5.810908  
1 1 1 -20 20  3  o 40.153  3.7674  882.473    161.927  807.651    203.068  1013.12    268.336  38.227  5.0265  42.743  5.9583  -4.516125      7.795302  
1 1 1 -20 20  4  o 88.930  2.8564  4287.74    275.126  4414.19    316.369  3895.40    557.284  90.217  3.2377  84.370  6.1406  5.846924       6.941845  
1 1 1 -20 20  5  o 115.186 3.4333  7197.37    428.334  7031.57    523.055  7534.91    746.324  113.800 4.2436  117.666 5.8561  -3.865242      7.231996  
1 1 1 -20 20  6  f 32.593  5.2599  592.187    179.358  570.872    220.062  634.362    309.553  31.782  6.6084  33.409  8.5262  -1.627523      10.78731  
1 1 1 -20 20  7  o 103.682 2.9501  5829.79    331.290  5858.42    382.597  5744.02    662.282  103.913 3.3994  102.522 5.9903  1.390472       6.887635  
1 1 1 -20 20  8  o 128.352 3.1546  8936.95    438.545  9196.69    508.805  8186.46    864.881  130.169 3.6089  122.326 6.5516  7.842934       7.479793  
1 1 1 -20 20  9  f 143.136 3.2372  11117.21   501.862  11670.14   579.287  9453.49    1004.84  146.613 3.6480  131.314 7.0913  15.29929       7.974633  
1 1 1 -20 20  10 o 92.592  3.0408  4651.97    304.955  4260.55    351.811  5834.83    611.586  88.571  3.6673  103.326 5.4845  -14.75520      6.597602  
1 1 1 -20 20  11 o 93.466  2.9572  4740.94    299.364  4673.31    342.677  4958.87    615.167  92.765  3.4106  95.095  6.0034  -2.329834      6.904594  
1 1 1 -20 20  12 o 37.069  4.6009  759.765    180.756  830.966    209.226  550.237    358.914  38.704  5.1164  31.417  9.6329  7.286795       10.90736  
1 1 1 -20 20  13 o 107.925 3.0360  6326.48    354.893  6159.47    410.785  6818.02    704.720  106.432 3.5635  111.446 5.8588  -5.013756      6.857397  
1 1 1 -20 20  14 o 117.815 3.0904  7543.62    394.352  7662.88    456.930  7195.44    780.709  118.675 3.5548  114.254 6.3336  4.421997       7.263032  
1 1 1 -20 20  15 o 102.722 2.9925  5735.94    332.939  5716.81    388.280  5789.08    647.077  102.480 3.4981  102.493 5.8532  -0.1348877E-01 6.818884  
1 1 1 -20 20  16 o 50.881  3.9080  1420.36    213.726  1287.22    265.961  1663.08    359.103  48.180  5.1778  54.591  6.1823  -6.411377      8.064148  
1 1 1 -20 20  17 o 20.323  6.9781  211.395    185.463  97.825     228.012  433.437    318.819  18.559  7.4447  28.027  9.1415  -9.468628      11.78948  
1 1 1 -20 20  18 o 84.792  3.2322  3918.62    296.837  3605.77    351.706  4693.26    553.431  81.200  3.9990  92.057  5.5768  -10.85786      6.862468  
1 1 1 -20 20  19 f 119.838 3.2243  7832.85    418.501  7167.19    594.309  8487.60    589.420  114.139 4.8074  124.376 4.3754  -10.23654      6.500379  
1 1 1 -20 20  20 f 61.962  3.6334  2107.75    242.778  2049.50    338.737  2169.28    348.135  60.666  5.2056  62.429  5.1958  -1.762959      7.354930  
1 1 1 -20 20  21 o 63.574  3.8430  2225.92    263.377  2333.86    395.394  2139.83    353.123  64.464  5.7225  61.857  5.3225  2.606857       7.815104  
1 1 1 -20 20  22 o 38.387  6.0208  845.486    242.094  622.154    391.590  983.656    308.009  32.071  10.100  41.020  7.1950  -8.948620      12.40063  
1 1 1 -20 20  23 o 29.355  7.2337  514.025    228.503  571.529    361.135  475.632    295.084  30.660  9.7040  28.202  8.7490  2.458204       13.06570  
1 1 1 -20 20  24 o 41.663  5.5442  994.181    243.976  1264.77    383.415  810.067    316.269  45.856  8.0113  36.419  8.2136  9.436501       11.47362  
1 1 1 -20 20  25 o 19.429  7.5173  168.588    225.128  23.865     361.504  260.272    287.733  20.130  8.7857  22.598  8.5591  -2.467913      12.26568  
1 1 1 -20 20  26 o 40.733  5.8826  985.123    252.013  1307.38    414.400  795.995    317.465  44.769  8.8599  34.952  8.4739  9.816837       12.25989  
1 1 1 -20 20  27 o 41.194  7.1644  1063.79    308.047  1123.66    405.325  981.931    473.974  40.390  9.4356  36.049  11.073  4.341354       14.54756  
1 1 1 -20 20  28 o 24.145  9.7235  351.726    390.614  351.726    390.614  0.0000     0.0000   24.145  9.7235  ?       ?       0.000000       9.723535  
1 1 1 -20 20  29 o 22.073  9.3983  244.008    394.267  244.008    394.267  0.0000     0.0000   22.073  9.3983  ?       ?       0.000000       9.398251  
1 1 1 -20 20  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 21  1  o 211.742 4.0350  24335.85   925.386  24080.08   1304.55  24594.89   1312.88  210.383 5.7251  212.624 5.7009  -2.241119      8.079370  
1 1 1 -20 21  2  o 131.160 3.1099  9328.87    441.791  9501.78    615.964  9145.69    633.998  132.288 4.2990  129.769 4.5107  2.519348       6.231186  
1 1 1 -20 21  3  o 151.997 3.3155  12530.85   545.818  12837.36   628.574  11591.29   1100.52  153.809 3.7731  145.803 6.9688  8.006348       7.924719  
1 1 1 -20 21  4  o 76.614  2.8913  3182.55    239.919  3410.57    275.996  2477.35    485.360  79.300  3.2134  67.081  6.7731  12.21938       7.496680  
1 1 1 -20 21  5  o 109.867 3.3616  6547.92    400.029  6482.23    486.375  6685.26    703.274  109.270 4.1096  110.668 5.8884  -1.398605      7.180666  
1 1 1 -20 21  6  o 74.582  4.1594  3029.78    334.660  3680.31    475.409  2390.78    471.181  82.080  5.3773  65.882  6.6962  16.19782       8.588095  
1 1 1 -20 21  7  o 119.913 3.0518  7798.97    396.357  7657.39    458.396  8218.42    788.992  118.786 3.5629  122.835 5.9304  -4.048096      6.918353  
1 1 1 -20 21  8  o 211.063 4.0451  24195.15   924.717  24755.30   1067.49  22511.17   1850.88  213.399 4.6185  202.604 8.4345  10.79442       9.616225  
1 1 1 -20 21  9  o 160.796 3.4546  14034.60   601.649  14293.26   695.019  13261.23   1201.78  162.212 3.9559  155.714 7.1257  6.498123       8.150128  
1 1 1 -20 21  10 f 110.491 3.0096  6624.58    360.167  6336.29    422.729  7388.09    687.949  108.013 3.6134  116.420 5.4558  -8.407585      6.543890  
1 1 1 -20 21  11 o 167.680 3.5176  15273.36   638.857  15445.44   736.697  14751.52   1282.91  168.540 4.0357  163.984 7.2231  4.555664       8.274009  
1 1 1 -20 21  12 o 158.012 3.4281  13566.28   586.695  13597.98   677.110  13470.79   1175.20  158.109 3.9539  156.656 6.9262  1.453812       7.975336  
1 1 1 -20 21  13 o 86.689  2.7489  4079.90    258.107  3527.15    327.347  4988.29    419.643  80.517  3.7536  95.717  4.0478  -15.19993      5.520361  
1 1 1 -20 21  14 o 10.915  5.1333  -166.1704  155.520  -119.5564  183.670  -284.2485  292.324  12.918  5.8984  15.181  7.1069  -2.263400      9.235776  
1 1 1 -20 21  15 f 52.581  3.7643  1513.95    212.960  1324.20    256.563  1934.29    381.860  48.959  4.9042  59.004  6.0614  -10.04481      7.796920  
1 1 1 -20 21  16 o 73.682  3.3389  2955.96    266.465  2687.35    316.577  3608.73    493.515  70.024  4.1934  80.815  5.6741  -10.79113      7.055479  
1 1 1 -20 21  17 o 44.792  4.3412  1107.62    207.968  1196.85    250.262  908.495    373.862  46.426  5.0588  39.377  8.9668  7.049442       10.29536  
1 1 1 -20 21  18 o 83.611  3.2324  3810.66    292.724  4118.81    347.888  3063.48    541.715  86.839  3.6987  73.847  6.8508  12.99203       7.785534  
1 1 1 -20 21  19 o 55.378  4.3913  1693.19    261.231  1597.91    320.461  1881.91    451.008  53.460  5.6185  57.438  7.4233  -3.977436      9.309861  
1 1 1 -20 21  20 o 18.606  7.0904  142.530    198.218  173.560    285.030  113.469    275.841  21.477  8.4169  20.077  8.1408  1.400700       11.70968  
1 1 1 -20 21  21 o 112.340 3.2405  6900.98    394.290  6603.61    562.975  7187.27    552.395  109.288 4.7561  114.153 4.4678  -4.865051      6.525425  
1 1 1 -20 21  22 o 147.333 3.4924  11906.62   557.307  12926.33   815.263  11012.11   763.576  152.551 4.9342  140.749 5.0088  11.80144       7.030948  
1 1 1 -20 21  23 o 21.981  7.7053  258.216    226.696  589.352    371.956  62.523     285.941  31.069  9.8499  19.179  8.0769  11.88934       12.73800  
1 1 1 -20 21  24 o 19.884  7.6058  177.099    228.613  292.452    374.306  108.466    288.722  24.858  9.6721  19.917  8.2305  4.941490       12.70002  
1 1 1 -20 21  25 o 50.025  4.9120  1424.98    262.710  1684.89    424.227  1263.31    334.585  52.727  7.6519  45.995  6.9315  6.732273       10.32455  
1 1 1 -20 21  26 o 17.054  7.2305  61.493     231.662  304.076    390.252  -70.5035   287.871  24.142  9.7201  16.613  7.5058  7.528521       12.28072  
1 1 1 -20 21  27 f 22.312  9.3396  218.413    378.660  218.413    378.660  0.0000     0.0000   22.312  9.3396  ?       ?       0.000000       9.339612  
1 1 1 -20 21  28 o 24.948  9.9980  395.524    410.802  395.524    410.802  0.0000     0.0000   24.948  9.9980  ?       ?       0.000000       9.997993  
1 1 1 -20 21  29 o 39.043  10.502  1189.99    453.792  1189.99    453.792  0.0000     0.0000   39.043  10.502  ?       ?       0.000000       10.50191  
1 1 1 -20 21  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 22  1  o 114.309 2.8749  7084.60    355.934  6186.30    489.271  8094.44    518.756  106.742 4.2320  122.121 3.9219  -15.37954      5.769876  
1 1 1 -20 22  2  o 154.577 3.0031  12956.73   502.785  13610.97   643.277  11929.56   806.029  158.375 3.7501  148.152 5.0231  10.22321       6.268570  
1 1 1 -20 22  3  f 77.167  2.5287  3227.77    211.348  3293.02    272.405  3129.10    334.993  77.920  3.2277  75.812  4.0949  2.108795       5.214052  
1 1 1 -20 22  4  o 37.690  3.8584  779.021    155.291  756.446    176.757  855.402    325.129  37.049  4.4970  38.863  7.9909  -1.814415      9.169402  
1 1 1 -20 22  5  o 137.523 3.2079  10258.18   477.821  10581.73   537.045  9029.15    1046.70  139.650 3.5506  128.347 7.5629  11.30290       8.354869  
1 1 1 -20 22  6  o 99.937  4.1814  5423.81    452.599  6232.00    657.104  4694.30    624.299  106.847 5.6987  92.606  6.2610  14.24120       8.466085  
1 1 1 -20 22  7  o 74.114  3.4791  2980.78    279.277  3058.51    347.050  2837.97    470.431  74.911  4.2953  71.910  6.0974  3.000908       7.458395  
1 1 1 -20 22  8  o 54.263  3.2639  1603.47    190.936  1457.39    218.310  2078.85    393.819  51.654  3.9316  61.469  5.9914  -9.814632      7.166176  
1 1 1 -20 22  9  o 73.699  3.0289  2946.97    241.779  2958.22    279.912  2913.93    479.826  73.817  3.5010  72.822  6.1407  0.9946899      7.068662  
1 1 1 -20 22  10 f 139.531 3.2130  10568.14   485.570  10108.66   558.383  11993.37   983.419  136.402 3.7796  148.184 6.1273  -11.78175      7.199207  
1 1 1 -20 22  11 o 70.728  2.5099  2713.47    192.273  2672.48    264.471  2759.42    280.027  70.140  3.4813  71.169  3.6450  -1.028778      5.040401  
1 1 1 -20 22  12 o 146.100 3.3220  11597.00   525.687  11283.50   607.242  12534.66   1050.18  144.025 3.8927  151.229 6.4115  -7.203491      7.500680  
1 1 1 -20 22  13 o 61.314  3.3052  2049.28    218.686  1734.74    253.351  2968.55    433.120  56.279  4.1863  73.468  5.4825  -17.18924      6.898048  
1 1 1 -20 22  14 o 112.324 3.0976  6858.17    376.847  6763.97    438.076  7126.26    739.054  111.473 3.6284  113.760 6.0196  -2.286583      7.028536  
1 1 1 -20 22  15 o 60.821  3.6291  2021.96    237.977  1846.61    286.584  2411.45    427.107  57.946  4.6041  65.937  6.0479  -7.990974      7.600970  
1 1 1 -20 22  16 o 57.157  3.7404  1788.81    230.280  1804.05    276.628  1754.41    415.596  57.263  4.4963  55.840  7.0272  1.422894       8.342553  
1 1 1 -20 22  17 o 97.097  2.9425  5130.08    309.454  5137.82    386.338  5116.22    516.900  97.041  3.6757  96.419  4.9665  0.6212158      6.178759  
1 1 1 -20 22  18 o 65.234  3.6251  2330.84    255.122  2350.11    308.504  2289.17    453.750  65.335  4.3850  63.804  6.6643  1.531128       7.977515  
1 1 1 -20 22  19 o 127.553 3.2720  8877.71    452.042  8973.23    529.653  8621.52    867.403  128.064 3.8185  124.195 6.4707  3.868614       7.513384  
1 1 1 -20 22  20 o 75.731  2.7101  3124.42    222.296  2744.61    397.823  3296.85    268.047  70.219  5.2692  77.705  3.1849  -7.485947      6.156914  
1 1 1 -20 22  21 o 4.8072  2.2631  -33.3913   30.367   229.374    299.893  -36.1135   30.524   22.816  8.7150  4.7418  2.2435  18.07440       8.999117  
1 1 1 -20 22  22 o 73.500  3.7767  2977.83    299.644  3094.59    468.790  2897.17    389.627  74.016  5.8966  72.010  5.0271  2.005234       7.748673  
1 1 1 -20 22  23 o 53.646  4.5331  1607.72    260.923  2100.49    415.136  1285.94    335.468  60.491  6.4350  47.038  6.7805  13.45338       9.347951  
1 1 1 -20 22  24 o 50.069  4.8635  1415.01    260.419  1293.79    415.460  1493.45    334.229  45.934  8.6686  50.831  6.1992  -4.897255      10.65712  
1 1 1 -20 22  25 o 15.652  2.8180  138.560    46.017   125.365    46.577   677.368    297.628  14.835  3.0017  32.725  8.3651  -17.88906      8.887417  
1 1 1 -20 22  26 o 17.130  7.2132  72.255     228.012  -260.4593  371.264  273.750    288.921  16.790  7.9069  22.325  8.5477  -5.535160      11.64401  
1 1 1 -20 22  27 o 19.359  8.7580  -31.7839   393.468  -31.7839   393.468  0.0000     0.0000   19.359  8.7580  ?       ?       0.000000       8.757987  
1 1 1 -20 22  28 o 28.917  1.2521  455.052    39.215   455.052    39.215   0.0000     0.0000   28.917  1.2521  ?       ?       0.000000       1.252054  
1 1 1 -20 22  29 o 21.804  9.8259  134.392    489.711  134.392    489.711  0.0000     0.0000   21.804  9.8259  ?       ?       0.000000       9.825915  
1 1 1 -20 22  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 23  1  o 203.732 4.1280  22535.11   910.904  21407.09   1210.08  24010.14   1383.75  198.351 5.6326  209.982 6.0842  -11.63130      8.291173  
1 1 1 -20 23  2  o 47.873  3.1935  1248.55    164.641  1238.52    183.960  1288.94    369.059  47.642  3.5914  48.061  7.3211  -0.4187279     8.154535  
1 1 1 -20 23  3  o 101.666 2.8863  5604.41    317.824  5764.64    363.398  5083.09    655.492  103.092 3.2545  96.393  6.3133  6.698372       7.102805  
1 1 1 -20 23  4  o 121.701 3.0143  8032.02    397.322  8307.40    457.291  7183.76    802.575  123.745 3.4119  114.627 6.4910  9.117828       7.333111  
1 1 1 -20 23  5  o 162.179 3.4244  14270.16   601.516  14994.16   693.578  12073.04   1208.24  166.201 3.8529  148.461 7.5387  17.74033       8.466243  
1 1 1 -20 23  6  o 201.720 4.5415  22111.37   992.242  23295.54   1214.83  19738.21   1719.78  206.902 5.4210  189.819 8.3650  17.08344       9.967946  
1 1 1 -20 23  7  o 153.907 3.8780  12861.89   646.450  13554.39   795.159  11511.98   1110.19  157.905 4.6493  145.164 7.0610  12.74110       8.454234  
1 1 1 -20 23  8  o 293.629 5.2450  46936.05   1668.07  46716.62   1925.21  47596.86   3340.91  292.682 6.0731  293.391 10.514  -0.7089233     12.14152  
1 1 1 -20 23  9  o 184.612 3.7152  18510.64   742.867  18390.84   857.096  18872.38   1489.35  183.922 4.3025  185.606 7.4086  -1.683960      8.567304  
1 1 1 -20 23  10 o 125.066 3.1085  8490.04    421.083  8335.77    484.615  8965.44    850.695  123.876 3.6119  128.100 6.1313  -4.224754      7.116107  
1 1 1 -20 23  11 o 110.092 3.0238  6579.63    360.562  6397.76    414.294  7147.51    732.085  108.513 3.5250  114.203 5.9390  -5.689713      6.906317  
1 1 1 -20 23  12 o 98.615  3.0841  5281.75    329.415  5067.65    382.408  5897.66    648.599  96.539  3.6572  103.671 5.7995  -7.132103      6.856384  
1 1 1 -20 23  13 o 38.583  4.2050  820.576    172.880  702.610    197.784  1202.52    355.890  35.466  5.3124  46.148  7.3681  -10.68192      9.083499  
1 1 1 -20 23  14 o 88.341  3.0158  4241.68    288.559  4299.15    335.083  4076.78    567.655  88.884  3.4806  85.911  6.1410  2.973404       7.058801  
1 1 1 -20 23  15 o 71.203  3.3859  2759.73    261.121  2927.26    313.153  2377.45    473.046  73.157  3.9669  65.255  6.7926  7.902771       7.866114  
1 1 1 -20 23  16 o 89.171  3.1765  4327.73    306.793  4303.36    362.296  4389.52    576.781  88.830  3.7656  89.041  6.0160  -0.2110443     7.097301  
1 1 1 -20 23  17 o 95.019  3.2244  4918.08    331.839  4702.33    392.482  5458.96    621.426  92.785  3.9055  99.302  5.8030  -6.517052      6.994849  
1 1 1 -20 23  18 f 73.570  3.4489  2953.62    274.824  2877.90    330.374  3123.75    495.189  72.362  4.2337  74.802  6.1670  -2.440178      7.480371  
1 1 1 -20 23  19 o 68.000  3.6551  2535.23    268.215  2296.42    326.366  3032.10    470.764  64.443  4.7084  73.672  5.9505  -9.228973      7.587956  
1 1 1 -20 23  20 o 58.627  3.8851  1892.49    245.301  2016.54    353.591  1777.39    340.589  60.045  5.4980  56.288  5.6635  3.756935       7.893251  
1 1 1 -20 23  21 o 45.421  4.7283  1152.55    229.203  596.813    333.426  1650.44    315.593  31.529  9.1961  54.193  5.4507  -22.66340      10.69008  
1 1 1 -20 23  22 o 76.647  2.9071  3210.84    241.337  3053.36    444.751  3276.56    287.316  73.637  5.6187  77.289  3.4322  -3.651146      6.584098  
1 1 1 -20 23  23 o 34.769  1.7284  657.054    65.088   687.339    356.918  656.012    66.198   33.311  9.4536  34.694  1.7675  -1.382729      9.617393  
1 1 1 -20 23  24 o 55.626  2.5090  1691.06    151.167  1497.60    401.590  1722.99    163.168  50.075  7.6469  56.112  2.6848  -6.036922      8.104526  
1 1 1 -20 23  25 o 22.576  1.5114  278.437    36.742   406.973    362.399  277.102    36.933   26.269  9.6745  22.520  1.5231  3.749369       9.793631  
1 1 1 -20 23  26 o 55.067  4.5369  1735.20    268.186  2121.96    419.295  1467.44    348.884  59.200  6.6545  49.079  6.7413  10.12151       9.472481  
1 1 1 -20 23  27 o 22.623  9.5465  222.300    400.781  222.300    400.781  0.0000     0.0000   22.623  9.5465  ?       ?       0.000000       9.546475  
1 1 1 -20 23  28 o 26.219  10.476  471.707    449.576  471.707    449.576  0.0000     0.0000   26.219  10.476  ?       ?       0.000000       10.47624  
1 1 1 -20 23  29 o 22.138  9.7583  203.281    455.960  203.281    455.960  0.0000     0.0000   22.138  9.7583  ?       ?       0.000000       9.758318  
1 1 1 -20 23  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 24  1  o 122.740 2.7050  8167.67    359.600  8279.73    457.546  7986.62    581.582  123.537 3.4195  121.257 4.4283  2.280029       5.594888  
1 1 1 -20 24  2  o 213.973 4.1065  24858.56   951.696  25299.32   1096.68  23514.36   1915.20  215.776 4.6925  207.224 8.5330  8.552155       9.738177  
1 1 1 -20 24  3  f 222.878 4.4475  26983.28   1073.61  27219.46   1165.02  25652.94   2765.02  223.794 4.8064  214.995 11.921  8.799057       12.85325  
1 1 1 -20 24  4  o 87.197  2.6351  4122.10    248.865  4333.61    306.679  3714.24    425.867  89.385  3.1678  82.530  4.7847  6.854202       5.738326  
1 1 1 -20 24  5  o 283.346 5.0192  43656.78   1540.36  43113.45   1776.79  45300.57   3090.47  281.377 5.8301  286.922 9.9447  -5.545135      11.52767  
1 1 1 -20 24  6  o 189.953 4.3679  19604.10   898.638  20035.97   1099.93  18737.19   1558.39  191.887 5.2924  185.053 7.7752  6.834290       9.405444  
1 1 1 -20 24  7  o 123.693 3.5356  8304.62    473.670  8662.45    575.491  7553.10    834.015  126.270 4.2079  117.455 6.5824  8.814987       7.812454  
1 1 1 -20 24  8  o 26.732  5.7435  404.348    161.340  513.927    187.790  95.456     315.291  30.182  5.9560  21.268  8.6734  8.914440       10.52146  
1 1 1 -20 24  9  o 158.168 3.4112  13582.64   584.378  13949.52   673.709  12467.85   1174.38  160.229 3.8820  150.879 7.1864  9.350845       8.167886  
1 1 1 -20 24  10 o 148.626 3.3074  11994.69   532.422  12332.13   613.656  10967.21   1070.80  150.643 3.7610  141.467 6.9885  9.176849       7.936254  
1 1 1 -20 24  11 f 110.686 3.0486  6651.65    365.484  6533.24    421.082  7013.32    735.932  109.647 3.5457  113.081 6.0304  -3.434067      6.995567  
1 1 1 -20 24  12 o 118.751 3.0743  7659.60    395.416  7489.22    456.207  8174.17    792.817  117.360 3.5890  122.169 5.9916  -4.809120      6.984275  
1 1 1 -20 24  13 o 46.335  3.7038  1175.81    184.324  1200.46    211.138  1096.82    377.936  46.746  4.2155  43.793  8.2711  2.953224       9.283411  
1 1 1 -20 24  14 o 77.239  3.0710  3243.26    256.911  3400.96    298.849  2796.66    502.906  79.050  3.4904  70.938  6.6220  8.112053       7.485540  
1 1 1 -20 24  15 o 98.757  3.1012  5305.08    331.715  5538.14    389.985  4695.26    630.833  100.831 3.5709  92.053  6.3662  8.778099       7.299348  
1 1 1 -20 24  16 o 28.716  6.3629  472.905    192.694  530.875    227.454  325.518    362.679  30.344  7.0545  26.328  9.6809  4.015743       11.97854  
1 1 1 -20 24  17 o 43.119  4.6365  1030.63    213.133  1125.55    260.459  838.241    370.797  44.890  5.4701  37.724  9.1655  7.166348       10.67373  
1 1 1 -20 24  18 o 47.052  4.4980  1225.34    226.435  1031.87    277.575  1610.19    391.492  42.716  6.1791  53.292  6.9478  -10.57606      9.298025  
1 1 1 -20 24  19 o 64.803  2.6732  2286.06    187.631  2296.82    316.417  2280.23    233.021  64.484  4.5598  64.541  3.3449  -0.5789948E-01 5.655116  
1 1 1 -20 24  20 o 50.260  4.0891  1396.00    220.671  1026.90    313.522  1758.36    310.649  42.149  7.1213  56.134  5.1675  -13.98421      8.798662  
1 1 1 -20 24  21 o 41.517  5.2782  972.529    231.979  903.109    351.269  1026.22    308.931  38.813  8.5837  42.051  7.0311  -3.238419      11.09578  
1 1 1 -20 24  22 o 45.457  4.9746  1162.13    240.925  1097.42    368.010  1210.67    318.720  42.851  8.2283  45.782  6.6198  -2.930672      10.56063  
1 1 1 -20 24  23 o 25.342  7.5704  379.527    223.731  309.452    348.173  428.814    291.995  24.962  9.4247  26.981  8.7456  -2.018131      12.85731  
1 1 1 -20 24  24 o 31.223  1.6127  531.380    54.351   541.644    55.276   232.632    298.219  31.522  1.6245  22.397  8.6558  9.125732       8.806925  
1 1 1 -20 24  25 o 23.656  7.8007  336.563    231.916  121.692    367.461  478.812    298.984  21.417  9.0949  27.515  8.8425  -6.098326      12.68487  
1 1 1 -20 24  26 o 43.483  6.9806  1166.10    317.640  1548.96    424.575  679.407    478.700  49.092  8.2796  30.701  11.147  18.39021       13.88574  
1 1 1 -20 24  27 o 20.693  9.1623  68.667     406.383  68.667     406.383  0.0000     0.0000   20.693  9.1623  ?       ?       0.000000       9.162294  
1 1 1 -20 24  28 o 27.480  10.935  555.786    487.954  555.786    487.954  0.0000     0.0000   27.480  10.935  ?       ?       0.000000       10.93537  
1 1 1 -20 24  29 o 25.340  10.390  455.149    455.576  455.149    455.576  0.0000     0.0000   25.340  10.390  ?       ?       0.000000       10.39044  
1 1 1 -20 24  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 25  1  o 187.089 3.7380  18997.88   757.454  19575.73   872.147  17224.03   1528.05  189.853 4.2413  177.447 7.9506  12.40567       9.011152  
1 1 1 -20 25  2  o 174.595 3.6073  16542.36   682.158  17091.19   784.992  14849.60   1378.62  177.416 4.0851  164.814 7.7229  12.60207       8.736774  
1 1 1 -20 25  3  o 80.099  2.8156  3478.94    244.273  3494.60    277.502  3425.05    514.808  80.265  3.1921  79.067  6.0575  1.197456       6.847086  
1 1 1 -20 25  4  o 81.101  2.8144  3566.61    247.220  3765.11    281.927  2906.00    514.308  83.315  3.1242  72.703  6.6034  10.61252       7.305170  
1 1 1 -20 25  5  o 229.058 4.2842  28502.03   1062.87  28595.53   1225.41  28218.04   2135.63  229.317 4.9337  226.823 8.6930  2.494873       9.995503  
1 1 1 -20 25  6  o 242.081 5.1953  31888.84   1362.21  33341.20   1667.61  28976.20   2361.56  247.276 6.2265  229.482 9.5012  17.79361       11.35968  
1 1 1 -20 25  7  o 119.225 3.4991  7715.78    451.853  7468.59    553.445  8209.93    782.516  117.225 4.3590  122.724 5.8870  -5.498993      7.325146  
1 1 1 -20 25  8  o 195.629 3.8192  20788.17   809.235  20551.87   933.200  21504.55   1624.88  194.413 4.4318  198.099 7.5730  -3.686584      8.774473  
1 1 1 -20 25  9  f 25.171  5.7603  359.402    153.642  522.530    176.308  -155.5010  313.235  30.492  5.5427  17.451  7.8618  13.04123       9.619215  
1 1 1 -20 25  10 o 177.602 3.6606  17139.57   704.152  17000.05   813.792  17555.23   1404.65  176.774 4.2504  178.864 7.2506  -2.090195      8.404565  
1 1 1 -20 25  11 o 186.329 3.7237  18876.38   751.489  18129.75   865.225  21169.47   1516.31  182.470 4.3779  196.293 7.1320  -13.82332      8.368496  
1 1 1 -20 25  12 o 105.936 2.9961  6095.25    343.770  6163.35    395.358  5884.17    696.021  106.478 3.4282  103.402 6.2441  3.076134       7.123237  
1 1 1 -20 25  13 o 147.458 3.3048  11823.21   527.816  11646.17   608.188  12363.39   1062.38  146.246 3.8396  149.905 6.5432  -3.659454      7.586580  
1 1 1 -20 25  14 o 64.686  3.4221  2283.33    238.905  2455.78    284.085  1866.76    441.528  67.011  3.9313  57.666  7.2280  9.345352       8.227924  
1 1 1 -20 25  15 o 131.274 3.2766  9379.23    465.883  9078.22    538.626  10273.34   928.308  129.027 3.8542  136.482 6.2798  -7.454971      7.368269  
1 1 1 -20 25  16 o 108.337 3.1444  6388.66    368.962  6043.19    425.725  7431.23    739.568  105.257 3.7343  115.956 5.9082  -10.69913      6.989398  
1 1 1 -20 25  17 o 74.599  3.4527  3034.94    278.969  2919.65    336.191  3289.84    499.879  72.911  4.2759  76.892  6.0512  -3.980377      7.409448  
1 1 1 -20 25  18 o 121.599 3.2506  8063.33    428.115  8222.95    503.132  7644.53    814.948  122.645 3.7876  117.051 6.4531  5.594032       7.482506  
1 1 1 -20 25  19 o 85.252  3.4414  3970.49    317.772  3768.43    384.894  4403.10    563.180  82.743  4.3097  88.857  5.8851  -6.114052      7.294322  
1 1 1 -20 25  20 o 61.279  3.3834  2059.54    223.695  2416.87    340.729  1788.86    296.555  65.995  4.7997  56.705  4.8760  9.290234       6.841934  
1 1 1 -20 25  21 o 65.315  3.7897  2350.32    266.946  2649.05    396.621  2102.93    360.935  68.786  5.3661  61.188  5.5051  7.597416       7.687716  
1 1 1 -20 25  22 o 53.446  4.4844  1592.27    257.192  2052.44    405.905  1283.59    332.444  59.928  6.3503  47.110  6.7045  12.81744       9.234513  
1 1 1 -20 25  23 o 59.279  2.6701  1919.87    171.431  2052.72    405.007  1890.88    189.217  59.800  6.3502  58.691  2.9864  1.108418       7.017430  
1 1 1 -20 25  24 o 31.474  7.1990  598.490    240.079  473.282    388.402  675.908    305.411  28.251  10.068  32.958  8.5003  -4.706278      13.17642  
1 1 1 -20 25  25 o 34.006  6.9217  705.525    246.273  882.231    398.834  596.629    313.093  36.253  9.8851  30.331  8.9298  5.921726       13.32126  
1 1 1 -20 25  26 o 65.556  5.1076  2492.59    359.798  2500.22    473.450  2482.16    553.551  63.916  6.9510  62.062  8.4550  1.854332       10.94549  
1 1 1 -20 25  27 o 57.855  2.9810  1862.44    186.161  1862.44    186.161  0.0000     0.0000   57.855  2.9810  ?       ?       0.000000       2.980971  
1 1 1 -20 25  28 o 25.583  10.391  438.229    450.164  438.229    450.164  0.0000     0.0000   25.583  10.391  ?       ?       0.000000       10.39063  
1 1 1 -20 25  29 o 42.610  1.8827  995.941    86.887   995.941    86.887   0.0000     0.0000   42.610  1.8827  ?       ?       0.000000       1.882664  
1 1 1 -20 25  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 26  1  o 119.293 2.9636  7717.98    382.913  7686.04    438.226  7821.08    787.365  119.019 3.3995  119.655 6.0956  -0.6356354     6.979471  
1 1 1 -20 26  2  o ?       ?       -217.3472  19.821   128.627    123.288  -226.5265  20.082   16.302  5.6842  ?       ?       0.000000       5.684177  
1 1 1 -20 26  3  o 166.524 3.6056  15049.70   650.321  15101.73   716.813  14807.60   1546.11  166.773 3.9683  164.099 8.7303  2.674438       9.589914  
1 1 1 -20 26  4  o 77.435  2.7826  3251.53    233.376  3330.26    265.451  2983.53    489.758  78.354  3.1279  73.730  6.1902  4.623634       6.935598  
1 1 1 -20 26  5  o 184.760 3.6961  18530.94   739.643  18417.02   851.815  18880.06   1491.17  184.117 4.2715  185.823 7.4090  -1.705109      8.552119  
1 1 1 -20 26  6  o 18.137  5.7781  175.499    127.876  259.643    142.831  -164.3769  287.058  21.502  5.9374  16.455  7.4592  5.047466       9.533727  
1 1 1 -20 26  7  o 128.006 4.3860  8907.41    608.086  8837.46    859.885  8977.39    860.042  127.255 6.2387  128.266 6.1907  -1.011078      8.788953  
1 1 1 -20 26  8  o 4.7038  2.2073  -30.1398   28.484   348.906    163.851  -41.9518   28.924   24.796  6.1346  4.4000  2.1099  20.39631       6.487257  
1 1 1 -20 26  9  o 232.629 4.5754  29452.07   1152.82  29963.62   1250.17  26545.75   2979.84  234.549 4.9211  216.937 12.738  17.61278       13.65552  
1 1 1 -20 26  10 o 100.777 2.8200  5511.45    307.805  5340.95    365.633  5926.26    570.301  99.159  3.4044  104.262 5.0502  -5.103043      6.090538  
1 1 1 -20 26  11 o 124.093 3.0786  8362.88    413.778  8146.09    474.228  9054.32    846.930  122.414 3.5767  128.599 6.0805  -6.184616      7.054486  
1 1 1 -20 26  12 o 33.320  4.8334  618.276    169.341  591.532    192.694  708.985    354.878  32.412  5.6969  35.053  9.2227  -2.640579      10.84038  
1 1 1 -20 26  13 o 76.197  3.0069  3155.14    248.158  3496.43    284.791  2078.64    505.794  80.186  3.2791  60.769  7.8695  19.41758       8.525336  
1 1 1 -20 26  14 o 118.626 3.1588  7653.30    405.848  7572.08    473.929  7876.65    785.919  117.899 3.7114  119.506 6.0920  -1.607384      7.133497  
1 1 1 -20 26  15 o 130.477 3.2428  9265.60    458.275  8687.75    529.742  10984.25   913.595  126.209 3.8753  141.227 5.9726  -15.01820      7.119684  
1 1 1 -20 26  16 o 89.717  3.1683  4382.22    307.868  4344.97    355.431  4494.15    616.072  89.253  3.6767  89.925  6.3664  -0.6724091     7.351847  
1 1 1 -20 26  17 o 80.697  3.2729  3549.49    286.061  3720.91    340.609  3139.12    526.995  82.528  3.8105  74.899  6.5624  7.628708       7.588453  
1 1 1 -20 26  18 o 72.596  3.5551  2878.23    279.538  3247.65    342.538  2141.68    483.677  76.895  4.1279  61.367  7.4282  15.52788       8.498083  
1 1 1 -20 26  19 o 88.436  3.3404  4271.35    319.963  4487.52    383.744  3778.30    579.561  90.504  3.9148  81.949  6.5852  8.555191       7.660976  
1 1 1 -20 26  20 o 53.538  4.1161  1584.03    236.853  1799.17    289.549  1148.96    411.766  56.899  4.7416  43.874  8.9679  13.02519       10.14426  
1 1 1 -20 26  21 o 83.864  2.8498  3839.59    258.861  3907.36    332.623  3735.49    412.222  84.388  3.6391  82.049  4.6578  2.339355       5.910892  
1 1 1 -20 26  22 o 63.534  4.0393  2235.13    276.518  2361.29    432.507  2147.91    359.616  64.333  6.2875  61.733  5.4338  2.600388       8.310148  
1 1 1 -20 26  23 o 32.454  6.9473  625.307    236.837  818.344    381.135  503.881    302.283  36.156  9.5793  28.846  8.8396  7.310253       13.03467  
1 1 1 -20 26  24 o 58.300  4.3891  1905.89    275.118  1528.16    434.197  2159.27    355.615  50.029  8.3043  61.556  5.3881  -11.52775      9.899095  
1 1 1 -20 26  25 o 53.686  4.7300  1644.35    272.228  1903.19    435.671  1478.57    348.676  55.877  7.3792  49.699  6.6438  6.178436       9.929428  
1 1 1 -20 26  26 o 21.428  8.6124  220.069    305.795  65.108     426.494  384.014    438.682  21.229  9.3934  25.665  10.315  -4.436743      13.95149  
1 1 1 -20 26  27 o 20.689  9.4122  -14.1278   462.296  -14.1278   462.296  0.0000     0.0000   20.689  9.4122  ?       ?       0.000000       9.412249  
1 1 1 -20 26  28 o 22.696  9.7843  236.115    437.206  236.115    437.206  0.0000     0.0000   22.696  9.7843  ?       ?       0.000000       9.784287  
1 1 1 -20 26  29 o 21.407  9.5424  153.821    448.309  153.821    448.309  0.0000     0.0000   21.407  9.5424  ?       ?       0.000000       9.542420  
1 1 1 -20 26  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 27  1  o 143.148 3.1367  11115.99   486.329  10899.05   557.354  11808.17   995.570  141.704 3.6314  147.169 6.2458  -5.465118      7.224753  
1 1 1 -20 27  2  o 198.238 4.0296  21341.31   865.211  21416.08   1015.83  21143.73   1651.21  198.482 4.7253  196.582 7.7551  1.899597       9.081326  
1 1 1 -20 27  3  o 132.194 3.0874  9479.29    442.052  9480.63    506.438  9475.02    905.912  132.169 3.5377  131.815 6.3453  0.3537750      7.264848  
1 1 1 -20 27  4  o 121.886 2.9955  8058.17    395.454  8351.65    453.766  7131.34    806.375  124.060 3.3770  114.138 6.5502  9.920967       7.369512  
1 1 1 -20 27  5  o 94.219  2.6889  4813.82    274.397  5077.27    328.533  4206.12    498.976  96.740  3.1355  87.751  5.2745  8.989143       6.136077  
1 1 1 -20 27  6  o 115.150 2.9532  7192.76    368.326  7329.27    423.868  6771.84    744.285  116.208 3.3676  111.242 6.2020  4.965874       7.057320  
1 1 1 -20 27  7  o 74.817  2.8272  3036.38    229.102  3175.25    334.255  2913.34    314.634  76.335  4.0574  73.118  3.9880  3.217224       5.689186  
1 1 1 -20 27  8  o 22.346  5.8340  282.512    142.722  283.716    162.903  278.534    296.044  22.502  6.3870  24.424  8.7806  -1.921772      10.85785  
1 1 1 -20 27  9  o 61.912  3.1661  2086.35    211.597  2224.81    244.996  1679.81    419.796  63.898  3.5540  54.886  7.2382  9.012009       8.063681  
1 1 1 -20 27  10 o 116.712 3.0338  7395.48    383.513  6949.15    441.824  8759.55    772.398  113.077 3.6075  126.633 5.6315  -13.55563      6.687893  
1 1 1 -20 27  11 o 134.619 3.2755  9846.71    477.583  9375.91    538.979  11567.17   1030.34  131.288 3.7903  145.187 6.5522  -13.89937      7.569503  
1 1 1 -20 27  12 o 19.073  6.6849  177.703    170.627  244.646    199.800  -2.6503    327.947  21.662  7.2443  19.932  8.5312  1.729647       11.19202  
1 1 1 -20 27  13 o 127.707 3.1781  8867.35    439.601  8855.13    508.243  8903.66    875.923  127.533 3.6794  127.215 6.3571  0.3186951      7.345120  
1 1 1 -20 27  14 o 190.436 4.0446  19780.94   834.237  19902.67   917.814  19202.40   2000.91  190.882 4.4394  184.004 10.078  6.877609       11.01269  
1 1 1 -20 27  15 o 132.905 3.3637  9618.00    484.201  9466.42    555.809  10095.21   986.168  131.732 3.8955  135.061 6.7414  -3.329895      7.785972  
1 1 1 -20 27  16 o 126.730 3.2263  8746.66    442.852  8751.25    511.723  8732.94    883.831  126.644 3.7306  125.389 6.5304  1.254761       7.520915  
1 1 1 -20 27  17 o 90.549  3.2460  4469.19    318.348  4417.35    373.578  4606.65    608.368  89.907  3.8363  90.955  6.2126  -1.047791      7.301637  
1 1 1 -20 27  18 o 44.021  1.9197  1052.07    91.529   709.964    277.746  1093.75    96.944   34.909  7.5644  44.880  1.9944  -9.970943      7.822860  
1 1 1 -20 27  19 o 104.894 3.2296  6006.80    366.921  6060.19    432.365  5869.36    693.643  105.198 3.7947  102.371 6.2863  2.826866       7.342807  
1 1 1 -20 27  20 o 109.425 3.3131  6547.96    392.666  6319.70    465.869  7107.96    729.697  107.259 4.0101  112.624 6.0036  -5.364555      7.219719  
1 1 1 -20 27  21 o 33.709  5.6264  650.334    198.182  494.667    293.803  780.296    268.452  28.869  8.6869  36.515  7.0429  -7.645912      11.18322  
1 1 1 -20 27  22 o 86.101  3.4675  4070.25    323.367  3457.12    478.967  4583.80    438.348  78.271  5.6887  90.971  4.4488  -12.70037      7.221727  
1 1 1 -20 27  23 o 49.422  4.8643  1375.28    257.006  856.734    404.901  1725.17    332.596  36.805  9.9285  55.052  5.6585  -18.24619      11.42780  
1 1 1 -20 27  24 f 76.381  2.9867  3205.11    247.090  3689.04    480.914  3031.54    288.012  80.385  5.5577  74.050  3.5910  6.335365       6.616934  
1 1 1 -20 27  25 o 15.308  1.9725  130.036    31.945   -149.2793  414.458  131.706    32.040   19.034  8.7537  15.409  1.9644  3.624090       8.971388  
1 1 1 -20 27  26 o 17.753  7.9204  -19.8037   309.561  -57.2974   452.334  13.226     424.555  20.385  9.2880  20.603  9.2276  -0.2175903     13.09261  
1 1 1 -20 27  27 o 25.527  10.283  406.924    436.976  406.924    436.976  0.0000     0.0000   25.527  10.283  ?       ?       0.000000       10.28277  
1 1 1 -20 27  28 o 42.193  1.9037  975.618    86.999   975.618    86.999   0.0000     0.0000   42.193  1.9037  ?       ?       0.000000       1.903703  
1 1 1 -20 27  29 o 29.764  10.974  747.498    466.524  747.498    466.524  0.0000     0.0000   29.764  10.974  ?       ?       0.000000       10.97435  
1 1 1 -20 28  1  o 141.063 3.2049  10796.11   489.669  10899.38   561.140  10466.40   1002.64  141.697 3.6563  138.466 6.6855  3.230682       7.619982  
1 1 1 -20 28  2  o 174.270 3.5820  16484.59   676.107  17004.80   777.557  14872.09   1368.95  176.941 4.0573  164.855 7.6669  12.08659       8.674221  
1 1 1 -20 28  3  o 160.043 3.5271  13902.25   611.392  13940.39   675.378  13729.09   1439.05  160.224 3.8918  157.996 8.4398  2.227539       9.293878  
1 1 1 -20 28  4  f 105.170 2.8782  5999.04    327.858  6121.95    374.949  5599.82    675.733  106.219 3.2591  101.145 6.1981  5.074165       7.002780  
1 1 1 -20 28  5  o 163.405 3.4216  14492.46   605.573  14279.56   696.591  15151.22   1225.32  162.138 3.9666  166.531 6.7933  -4.392883      7.866626  
1 1 1 -20 28  6  o 54.960  2.2770  1637.55    135.542  1763.75    212.577  1551.09    175.947  56.895  3.4662  53.380  3.0559  3.514214       4.620906  
1 1 1 -20 28  7  f 140.791 3.7083  10766.70   565.478  11256.56   691.487  9777.76    982.509  143.865 4.4377  133.528 6.8162  10.33707       8.133491  
1 1 1 -20 28  8  o 41.343  4.2189  939.041    186.267  888.181    225.305  1048.87    331.085  40.019  5.3305  43.158  7.3460  -3.138802      9.076287  
1 1 1 -20 28  9  o 58.679  3.1370  1874.67    198.652  1842.81    227.424  1977.24    408.041  58.124  3.6307  59.782  6.4013  -1.657867      7.359293  
1 1 1 -20 28  10 o 144.411 3.2640  11328.19   510.527  11757.35   588.157  10016.72   1028.16  147.059 3.6926  134.866 7.0632  12.19246       7.970192  
1 1 1 -20 28  11 o 104.560 2.9648  5937.43    335.766  6153.46    383.893  5234.26    692.609  106.406 3.3310  97.418  6.6032  8.988281       7.395753  
1 1 1 -20 28  12 o 73.604  3.0349  2943.69    241.946  2808.43    276.312  3388.23    500.936  71.849  3.5507  78.380  5.9450  -6.531403      6.924597  
1 1 1 -20 28  13 o 141.820 3.3440  10941.48   513.655  11085.78   579.858  10415.57   1106.99  142.669 3.7525  136.947 7.4915  5.721970       8.378756  
1 1 1 -20 28  14 o 136.599 3.3161  10155.03   490.627  9288.09    567.690  12713.82   975.290  130.488 4.0167  152.025 5.9231  -21.53667      7.156600  
1 1 1 -20 28  15 o 115.945 3.1888  7316.65    400.450  7130.15    463.952  7861.49    792.992  114.350 3.7460  119.225 6.1619  -4.875748      7.211238  
1 1 1 -20 28  16 o 80.769  2.9027  3549.44    253.932  3899.83    348.463  3152.68    370.805  84.521  3.8065  75.736  4.5414  8.785240       5.925639  
1 1 1 -20 28  17 o 56.123  3.8519  1729.53    232.730  1587.51    269.512  2145.92    461.487  53.577  4.6917  61.636  7.0391  -8.058762      8.459316  
1 1 1 -20 28  18 o 51.294  4.0876  1450.22    225.208  1347.90    270.934  1678.95    405.096  49.181  5.1633  54.345  7.0483  -5.163673      8.737137  
1 1 1 -20 28  19 o 32.241  6.1111  597.155    205.590  475.469    251.925  839.773    355.724  28.482  7.8933  37.525  8.8889  -9.043314      11.88768  
1 1 1 -20 28  20 o 24.531  7.3364  347.472    210.029  580.127    266.496  -33.9341   341.215  31.269  7.8736  19.457  8.5126  11.81215       11.59559  
1 1 1 -20 28  21 o 49.263  4.1433  1346.42    219.020  1682.05    323.564  1062.58    297.549  54.618  5.5465  42.908  6.6152  11.71029       8.632793  
1 1 1 -20 28  22 o 22.180  7.4966  271.214    213.977  588.351    340.516  64.266     275.071  31.065  9.3530  18.933  7.9449  12.13193       12.27189  
1 1 1 -20 28  23 o 31.811  7.1103  605.076    238.826  337.392    388.369  767.862    302.860  25.925  9.9139  35.533  8.0552  -9.608715      12.77387  
1 1 1 -20 28  24 o 27.888  2.6982  430.182    80.484   1127.25    424.406  404.178    81.972   41.864  9.5687  26.992  2.8468  14.87165       9.983232  
1 1 1 -20 28  25 f 30.167  1.8661  498.527    60.674   495.722    61.885   568.128    308.282  30.074  1.9098  29.409  8.9094  0.6654110      9.111819  
1 1 1 -20 28  26 o 30.258  10.695  656.113    437.474  656.113    437.474  0.0000     0.0000   30.258  10.695  ?       ?       0.000000       10.69547  
1 1 1 -20 28  27 o 33.955  10.796  878.208    446.577  878.208    446.577  0.0000     0.0000   33.955  10.796  ?       ?       0.000000       10.79578  
1 1 1 -20 28  28 o 21.264  9.4614  120.195    438.556  120.195    438.556  0.0000     0.0000   21.264  9.4614  ?       ?       0.000000       9.461357  
1 1 1 -20 28  29 o 26.691  10.885  559.367    496.526  559.367    496.526  0.0000     0.0000   26.691  10.885  ?       ?       0.000000       10.88460  
1 1 1 -20 29  1  o 88.761  2.7021  4272.50    259.774  4148.70    293.610  4718.68    557.398  87.447  3.1000  92.911  5.5646  -5.464302      6.369783  
1 1 1 -20 29  2  o 191.895 3.7233  19993.57   773.855  19294.32   889.885  22162.74   1567.35  188.419 4.3605  201.329 7.1877  -12.91031      8.406944  
1 1 1 -20 29  3  o 44.642  3.1909  1086.82    153.270  1131.78    169.524  885.480    358.712  45.533  3.4634  39.412  8.6413  6.120808       9.309555  
1 1 1 -20 29  4  o 175.542 3.6259  16730.35   689.394  17293.20   793.683  15000.81   1391.28  178.407 4.1074  165.472 7.7628  12.93463       8.782471  
1 1 1 -20 29  5  o 90.316  2.8236  4424.55    276.207  4271.51    315.786  4922.83    569.815  88.716  3.2864  94.887  5.5688  -6.171265      6.466263  
1 1 1 -20 29  6  f 29.589  4.4854  486.815    139.242  472.037    156.299  543.651    306.518  29.014  5.1629  31.014  8.7465  -1.999590      10.15664  
1 1 1 -20 29  7  o 48.410  3.8998  1281.71    202.744  1437.43    246.827  958.731    355.471  51.208  4.4957  41.047  8.2812  10.16098       9.422874  
1 1 1 -20 29  8  o 76.044  3.3049  3140.00    272.202  3266.88    330.978  2874.83    478.486  77.420  3.9603  72.268  6.1722  5.152702       7.333494  
1 1 1 -20 29  9  o 231.971 4.2817  29284.35   1075.77  28288.14   1241.00  32295.93   2157.72  227.780 5.0302  242.019 8.2314  -14.23872      9.646744  
1 1 1 -20 29  10 o 188.810 3.7753  19388.07   772.051  19927.29   890.268  17752.52   1550.49  191.298 4.2968  179.356 7.9815  11.94173       9.064558  
1 1 1 -20 29  11 o 54.929  3.3942  1646.42    200.946  1615.24    231.941  1740.27    402.372  54.328  3.9692  55.869  6.7890  -1.540939      7.864108  
1 1 1 -20 29  12 o 40.190  4.0959  889.187    175.804  789.619    199.292  1238.47    373.268  37.687  5.0062  46.747  7.6359  -9.059921      9.130671  
1 1 1 -20 29  13 o 74.165  3.2149  2991.55    258.250  2776.63    301.537  3583.09    500.256  71.271  3.9213  80.588  5.7695  -9.316589      6.975939  
1 1 1 -20 29  14 o 79.958  3.2421  3479.04    280.773  3385.26    327.356  3740.02    546.094  78.798  3.8356  82.165  6.1817  -3.367203      7.274951  
1 1 1 -20 29  15 o 93.766  3.1599  4785.34    320.912  4803.12    370.453  4731.91    642.367  93.862  3.6439  92.294  6.4668  1.567795       7.422797  
1 1 1 -20 29  16 o 39.463  5.0537  868.930    211.044  937.307    245.904  677.742    411.189  40.851  5.7140  34.092  10.281  6.759167       11.76210  
1 1 1 -20 29  17 o 31.701  6.1530  575.176    203.650  569.668    237.087  590.677    397.725  31.336  7.1441  32.044  10.188  -0.7081013     12.44338  
1 1 1 -20 29  18 o 32.855  5.8105  615.049    199.209  612.907    241.902  619.563    351.150  32.483  7.0759  32.411  9.4328  0.7164383E-01  11.79178  
1 1 1 -20 29  19 o 27.446  7.1070  440.201    212.939  620.861    270.573  146.242    345.140  32.455  7.7950  22.370  9.0933  10.08550       11.97703  
1 1 1 -20 29  20 o 51.667  4.3877  1481.45    243.217  1574.84    301.540  1307.57    411.452  52.988  5.3262  47.051  8.3812  5.937664       9.930368  
1 1 1 -20 29  21 f 70.727  3.4810  2743.61    266.660  2643.17    398.687  2824.91    358.702  68.620  5.4082  71.266  4.6729  -2.646935      7.147337  
1 1 1 -20 29  22 o 53.390  4.3899  1588.42    251.611  1724.05    436.773  1521.05    307.817  54.172  7.6575  51.797  5.5746  2.375214       9.471707  
1 1 1 -20 29  23 o 36.560  6.6419  787.240    253.319  953.587    442.787  706.305    308.856  38.488  10.383  33.867  8.4480  4.620613       13.38547  
1 1 1 -20 29  24 o 16.979  7.2858  27.518     240.287  76.798     433.831  5.7099     288.598  22.297  9.6790  18.015  7.8565  4.282042       12.46631  
1 1 1 -20 29  25 o 51.431  5.1174  1530.99    281.282  1007.13    481.588  1802.24    346.533  37.264  11.101  55.291  5.8766  -18.02698      12.56074  
1 1 1 -20 29  26 o 59.145  7.6135  2197.63    476.398  2197.63    476.398  0.0000     0.0000   59.145  7.6135  ?       ?       0.000000       7.613493  
1 1 1 -20 29  27 o 26.528  10.691  466.140    472.566  466.140    472.566  0.0000     0.0000   26.528  10.691  ?       ?       0.000000       10.69077  
1 1 1 -20 29  28 o 29.132  10.802  669.670    453.273  669.670    453.273  0.0000     0.0000   29.132  10.802  ?       ?       0.000000       10.80235  
1 1 1 -20 29  29 o 30.462  11.011  785.475    466.279  785.475    466.279  0.0000     0.0000   30.462  11.011  ?       ?       0.000000       11.01069  
1 1 1 -20 30  1  o 154.061 3.3435  12882.04   557.914  12851.67   640.278  12977.82   1137.12  153.825 3.8430  154.098 6.8130  -0.2730408     7.822124  
1 1 1 -20 30  2  o 163.660 3.4225  14538.61   606.671  14402.23   696.505  14967.36   1234.97  162.829 3.9493  165.477 6.8905  -2.647980      7.942056  
1 1 1 -20 30  3  o 101.314 2.6840  5566.71    294.526  5256.50    346.489  6374.58    559.155  98.418  3.2505  108.250 4.7691  -9.832405      5.771435  
1 1 1 -20 30  4  o 42.582  3.2194  989.596    147.383  1018.74    162.737  856.627    347.591  43.176  3.5103  38.752  8.5140  4.424591       9.209255  
1 1 1 -20 30  5  o 84.635  2.7496  3885.41    252.053  3788.55    286.621  4215.88    529.424  83.552  3.1672  87.766  5.5985  -4.214462      6.432350  
1 1 1 -20 30  6  o 165.173 3.4266  14813.34   613.010  14940.73   706.432  14424.98   1233.43  165.813 3.9335  162.319 7.0158  3.493851       8.043235  
1 1 1 -20 30  7  o 82.567  2.9544  3699.57    264.209  4241.11    363.071  3089.98    385.206  88.344  3.7944  75.187  4.7547  13.15703       6.083112  
1 1 1 -20 30  8  o 107.676 3.2854  6296.09    383.156  6564.65    477.497  5810.49    642.070  109.875 4.0124  102.987 5.7795  6.887375       7.035722  
1 1 1 -20 30  9  o 51.649  2.2356  1446.69    125.061  1509.24    216.978  1415.58    153.039  52.544  3.8392  50.996  2.7812  1.547932       4.740766  
1 1 1 -20 30  10 o 79.475  2.9318  3429.81    252.370  3517.18    290.275  3159.26    510.787  80.450  3.3313  75.662  6.2900  4.788551       7.117675  
1 1 1 -20 30  11 o 20.962  6.0939  245.842    146.630  135.455    169.226  578.390    293.722  17.793  6.5999  31.729  8.4109  -13.93611      10.69117  
1 1 1 -20 30  12 o 31.579  1.2832  540.383    43.889   277.686    188.514  555.438    45.129   22.481  6.9959  32.015  1.3014  -9.533800      7.115961  
1 1 1 -20 30  13 o 55.726  3.7279  1699.18    223.709  1408.54    263.656  2446.26    422.716  50.515  4.8797  66.458  5.9350  -15.94358      7.683449  
1 1 1 -20 30  14 o 58.000  3.7145  1840.89    232.117  1739.31    277.250  2078.96    424.440  56.213  4.5938  61.029  6.5221  -4.815617      7.977535  
1 1 1 -20 30  15 o 72.859  3.3325  2891.32    262.977  2857.52    302.855  2994.93    530.201  72.255  3.8841  73.213  6.7627  -0.9575119     7.798708  
1 1 1 -20 30  16 o 43.786  4.6378  1062.71    216.598  854.869    251.945  1651.48    424.046  38.846  6.1963  53.886  7.4661  -15.04048      9.702447  
1 1 1 -20 30  17 o 18.966  7.1043  155.048    197.025  181.736    231.533  84.996     375.121  20.491  7.6963  22.271  9.3070  -1.780008      12.07697  
1 1 1 -20 30  18 o 60.554  3.8531  2014.91    251.394  1941.83    299.547  2189.00    462.336  59.230  4.7082  62.141  6.9907  -2.910641      8.428304  
1 1 1 -20 30  19 o 48.121  4.4991  1285.49    231.769  1302.12    285.594  1253.42    396.658  48.122  5.5831  46.253  8.2190  1.869823       9.935993  
1 1 1 -20 30  20 o 65.226  3.7144  2341.17    261.322  2389.16    315.430  2236.15    466.612  65.665  4.4615  62.491  7.0151  3.173836       8.313683  
1 1 1 -20 30  21 o 40.972  5.3307  950.943    230.959  918.969    289.271  1007.16    383.586  39.667  6.9882  40.739  8.9388  -1.071781      11.34624  
1 1 1 -20 30  22 f 26.502  7.4612  417.582    223.250  353.864    423.398  442.120    262.743  26.892  10.335  27.247  8.2185  -0.3555565     13.20464  
1 1 1 -20 30  23 o 33.876  1.8558  626.336    67.833   630.031    69.792   563.316    288.268  33.969  1.9047  30.245  8.4655  3.723730       8.677092  
1 1 1 -20 30  24 o 47.557  5.3535  1302.39    270.960  1225.74    461.937  1342.60    334.562  43.075  10.080  47.540  6.6820  -4.465256      12.09353  
1 1 1 -20 30  25 o 20.085  8.3484  142.885    299.523  75.502     411.678  218.673    436.599  21.262  9.3249  23.495  9.9419  -2.233412      13.63070  
1 1 1 -20 30  26 o 44.332  2.5389  1085.63    121.401  1085.63    121.401  0.0000     0.0000   44.332  2.5389  ?       ?       0.000000       2.538926  
1 1 1 -20 30  27 o 23.884  10.019  301.443    437.191  301.443    437.191  0.0000     0.0000   23.884  10.019  ?       ?       0.000000       10.01890  
1 1 1 -20 30  28 o 21.428  9.6711  94.498     476.506  94.498     476.506  0.0000     0.0000   21.428  9.6711  ?       ?       0.000000       9.671115  
1 1 1 -20 30  29 o ?       ?       -128.8268  32.025   -128.8268  32.025   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -20 31  1  o 49.708  2.3279  1339.62    125.329  1774.45    183.488  959.345    171.593  57.111  2.9766  41.852  3.8278  15.25985       4.848965  
1 1 1 -20 31  2  o 44.250  3.0810  1067.59    146.741  937.027    160.956  1710.37    357.128  41.383  3.6276  55.673  6.0184  -14.29001      7.027123  
1 1 1 -20 31  3  o 30.151  4.1071  503.086    130.634  579.407    142.987  117.770    321.280  32.386  4.1735  21.816  8.8068  10.56969       9.745674  
1 1 1 -20 31  4  o 167.199 3.4466  15177.83   624.153  15127.13   717.329  15335.86   1266.38  166.850 3.9694  167.409 6.9842  -0.5588989     8.033339  
1 1 1 -20 31  5  o 95.198  2.7962  4916.44    288.310  5037.45    328.421  4509.85    602.024  96.340  3.1474  90.669  6.1670  5.670906       6.923694  
1 1 1 -20 31  6  o 42.890  1.9066  997.040    88.571   980.701    172.601  1002.88    103.193  42.314  3.8068  42.951  2.2259  -0.6371307     4.409816  
1 1 1 -20 31  7  o 204.476 3.9633  22730.32   877.739  22988.15   1012.17  21948.46   1762.58  205.507 4.5473  199.687 8.1495  5.819626       9.332313  
1 1 1 -20 31  8  o 121.395 3.4810  8006.54    457.690  7997.12    558.165  8025.87    799.634  121.227 4.2510  120.982 6.1223  0.2449188      7.453460  
1 1 1 -20 31  9  f 84.661  2.9092  3891.20    266.760  3819.22    306.806  4114.22    540.027  83.838  3.3787  86.546  5.7945  -2.708595      6.707588  
1 1 1 -20 31  10 o 136.988 3.2668  10197.70   484.703  10274.17   546.531  9915.94    1049.11  137.438 3.6715  133.990 7.2560  3.447540       8.131978  
1 1 1 -20 31  11 o 55.007  3.3304  1651.13    197.481  1731.03    230.453  1430.30    383.131  56.263  3.8041  50.437  7.2193  5.825760       8.160191  
1 1 1 -20 31  12 o 96.032  2.9824  5011.93    310.201  4877.60    356.843  5427.40    627.562  94.676  3.4799  99.266  5.8629  -4.590607      6.817915  
1 1 1 -20 31  13 o 54.157  3.8418  1606.54    223.889  1424.06    264.902  2062.83    418.887  50.789  4.8755  60.841  6.4553  -10.05201      8.089618  
1 1 1 -20 31  14 o 40.652  4.4353  913.749    192.119  885.606    224.469  990.828    371.481  39.830  5.3376  41.347  8.5763  -1.517727      10.10160  
1 1 1 -20 31  15 o 83.604  3.2797  3806.96    296.981  3681.01    344.468  4171.61    586.148  82.118  3.8729  86.646  6.2886  -4.528679      7.385555  
1 1 1 -20 31  16 o 43.414  4.8095  1047.02    222.352  961.071    261.173  1273.40    423.865  41.276  6.0191  46.782  8.6850  -5.506092      10.56691  
1 1 1 -20 31  17 o 46.972  2.0691  1198.23    105.267  1016.53    260.507  1233.69    115.081  42.487  5.8135  47.651  2.2298  -5.163719      6.226432  
1 1 1 -20 31  18 o 85.405  3.3641  3983.43    311.187  3942.45    363.949  4094.86    600.072  84.828  3.9613  85.379  6.5387  -0.5518799     7.645035  
1 1 1 -20 31  19 o 27.298  7.0184  435.885    208.664  424.765    261.314  455.452    346.633  27.060  8.2038  28.428  9.5418  -1.367844      12.58359  
1 1 1 -20 31  20 o 101.543 3.1272  5636.31    343.938  5900.35    431.983  5179.13    568.442  103.647 3.8480  96.278  5.4738  7.369453       6.690999  
1 1 1 -20 31  21 o 37.854  1.8175  778.825    74.518   653.789    265.949  789.479    77.628   33.122  7.5776  38.107  1.8808  -4.985855      7.807547  
1 1 1 -20 31  22 o 81.007  2.9954  3592.11    262.813  3738.86    521.475  3542.15    304.282  81.176  5.9731  80.286  3.4992  0.8899689      6.922553  
1 1 1 -20 31  23 o 50.714  4.5613  1445.37    247.864  1840.56    425.095  1241.80    305.096  55.882  7.1901  46.245  6.2515  9.637825       9.527735  
1 1 1 -20 31  24 o 24.402  7.9629  360.854    241.894  772.218    406.553  135.421    300.963  33.919  10.221  20.311  8.3992  13.60830       13.22963  
1 1 1 -20 31  25 o 15.539  7.2700  -206.3510  305.119  -231.9327  435.052  -181.5871  428.040  18.552  8.6801  18.842  8.7471  -0.2908459     12.32295  
1 1 1 -20 31  26 o 31.314  11.082  728.904    469.818  728.904    469.818  0.0000     0.0000   31.314  11.082  ?       ?       0.000000       11.08218  
1 1 1 -20 31  27 o 20.465  9.2327  26.626     433.756  26.626     433.756  0.0000     0.0000   20.465  9.2327  ?       ?       0.000000       9.232714  
1 1 1 -20 31  28 o 21.907  9.5054  204.774    418.020  204.774    418.020  0.0000     0.0000   21.907  9.5054  ?       ?       0.000000       9.505445  
1 1 1 -20 31  29 o 15.965  7.7020  -361.9356  399.220  -361.9356  399.220  0.0000     0.0000   15.965  7.7020  ?       ?       0.000000       7.702040  
1 1 1 -20 32  1  o 64.412  2.7556  2250.58    192.245  2281.21    214.488  2125.44    433.520  64.836  3.0543  62.020  6.5529  2.815929       7.229717  
1 1 1 -20 32  2  o 205.488 4.6788  22976.46   1041.33  24400.19   1269.65  20050.42   1820.16  211.557 5.5410  190.809 8.8073  20.74782       10.40529  
1 1 1 -20 32  3  o 191.604 3.9536  19949.82   820.489  20455.03   896.239  17334.45   2039.18  193.960 4.2662  176.394 10.724  17.56673       11.54170  
1 1 1 -20 32  4  o 23.299  4.8445  306.444    118.266  281.444    128.146  450.085    307.163  22.283  5.3723  28.652  8.9324  -6.369240      10.42354  
1 1 1 -20 32  5  o 67.329  2.3723  2458.21    173.000  2511.54    234.859  2394.94    255.798  68.020  3.1879  66.307  3.5750  1.713379       4.789896  
1 1 1 -20 32  6  o 114.868 2.8899  7160.08    359.544  6666.16    412.428  8724.08    733.899  110.788 3.4370  126.482 5.3572  -15.69351      6.364963  
1 1 1 -20 32  7  o 27.733  4.8054  430.884    139.115  456.201    157.599  341.552    296.042  28.470  5.3060  25.846  8.8173  2.624611       10.29070  
1 1 1 -20 32  8  o 55.948  3.6891  1709.00    222.296  1603.84    272.932  1916.21    383.138  54.050  4.7092  58.871  6.0971  -4.820995      7.703939  
1 1 1 -20 32  9  o 156.628 3.3790  13332.33   573.235  13172.57   660.956  13817.23   1151.49  155.592 3.9221  158.636 6.7018  -3.044083      7.765069  
1 1 1 -20 32  10 o 123.507 3.0638  8287.13    409.843  8650.05    472.265  7180.04    824.845  126.127 3.4571  114.089 6.7046  12.03898       7.543408  
1 1 1 -20 32  11 o 68.134  2.5677  2520.21    189.487  2665.44    271.511  2382.31    264.575  69.895  3.5987  66.052  3.7133  3.843140       5.171005  
1 1 1 -20 32  12 o 19.675  6.5799  201.643    164.828  256.105    189.163  29.877     335.937  21.804  7.0362  20.608  8.7207  1.195425       11.20527  
1 1 1 -20 32  13 o 163.070 3.4931  14479.84   616.950  14571.99   713.275  14206.11   1229.35  163.440 4.0293  160.165 7.0866  3.275681       8.151995  
1 1 1 -20 32  14 f 106.939 3.0925  6222.19    358.192  6425.46    416.445  5644.21    702.207  108.593 3.5407  100.870 6.4613  7.723602       7.367853  
1 1 1 -20 32  15 o 90.787  3.1889  4488.48    313.566  4555.65    366.385  4304.58    606.223  91.376  3.7020  87.954  6.4077  3.422043       7.400268  
1 1 1 -20 32  16 o 95.567  3.2022  4977.10    331.453  5109.51    385.158  4599.12    650.745  96.734  3.6761  90.701  6.6710  6.032951       7.616796  
1 1 1 -20 32  17 o 77.862  3.4750  3309.89    293.053  3343.47    344.789  3222.48    556.223  78.030  4.0939  75.666  6.8616  2.363945       7.990080  
1 1 1 -20 32  18 o 67.116  3.6801  2471.77    266.497  2491.91    312.964  2418.65    508.281  67.224  4.3212  65.150  7.3305  2.074455       8.509336  
1 1 1 -20 32  19 o 37.308  5.5978  789.879    219.217  712.200    262.640  968.287    398.032  34.912  7.1853  40.070  9.3432  -5.158062      11.78660  
1 1 1 -20 32  20 o 31.415  6.4817  574.787    213.228  781.505    265.727  201.003    357.320  36.600  6.9576  23.406  9.3440  13.19398       11.64983  
1 1 1 -20 32  21 o 86.390  3.4002  4093.50    318.157  3934.91    379.888  4466.04    582.241  84.437  4.1539  88.822  6.0889  -4.384659      7.370871  
1 1 1 -20 32  22 o 29.620  7.0336  522.541    222.286  985.988    393.661  305.605    269.332  39.912  9.2819  23.750  8.3924  16.16226       12.51338  
1 1 1 -20 32  23 o 37.099  5.9817  801.899    232.182  424.067    409.698  980.656    281.803  27.508  10.256  40.816  6.5997  -13.30783      12.19615  
1 1 1 -20 32  24 o 31.955  7.2562  630.315    245.411  995.274    447.241  473.086    293.553  38.147  10.495  27.344  8.7591  10.80349       13.67017  
1 1 1 -20 32  25 o 22.723  8.8998  275.386    318.532  409.401    450.498  141.403    450.446  26.289  10.493  22.627  9.8426  3.661812       14.38665  
1 1 1 -20 32  26 o 25.673  10.263  401.491    431.697  401.491    431.697  0.0000     0.0000   25.673  10.263  ?       ?       0.000000       10.26307  
1 1 1 -20 32  27 o 24.432  10.163  346.670    444.391  346.670    444.391  0.0000     0.0000   24.432  10.163  ?       ?       0.000000       10.16302  
1 1 1 -20 32  28 o 24.070  9.6853  376.711    387.211  376.711    387.211  0.0000     0.0000   24.070  9.6853  ?       ?       0.000000       9.685285  
1 1 1 -20 32  29 o 24.706  9.8968  429.234    402.336  429.234    402.336  0.0000     0.0000   24.706  9.8968  ?       ?       0.000000       9.896825  
1 1 1 -20 33  1  o 164.310 3.4701  14661.29   617.559  15093.72   709.472  13309.17   1254.54  166.651 3.9306  155.779 7.4354  10.87198       8.410426  
1 1 1 -20 33  2  o 73.350  2.6938  2918.51    214.009  2882.35    239.663  3060.80    475.425  72.878  3.0362  74.650  5.9289  -1.771957      6.661118  
1 1 1 -20 33  3  o 57.658  2.8755  1803.79    179.572  1932.70    200.009  1267.92    407.782  59.592  3.1095  47.362  8.2491  12.23075       8.815711  
1 1 1 -20 33  4  o 132.393 3.1145  9514.03    446.611  9435.73    502.537  9808.27    974.143  131.806 3.5202  133.698 6.7489  -1.892044      7.611795  
1 1 1 -20 33  5  o 95.576  2.8421  4956.62    294.208  5202.22    335.647  4142.16    611.235  97.892  3.1657  86.766  6.5525  11.12603       7.277115  
1 1 1 -20 33  6  o 102.378 2.8758  5688.17    318.882  5768.31    364.529  5426.94    658.135  103.065 3.2655  99.443  6.1404  3.622337       6.954743  
1 1 1 -20 33  7  o 110.436 2.8922  6619.98    345.945  6827.02    401.482  6023.09    681.703  112.111 3.3064  104.771 6.0328  7.339355       6.879472  
1 1 1 -20 33  8  o 123.198 4.4855  8268.52    598.530  7667.25    827.301  8928.86    866.991  118.080 6.4937  127.663 6.2702  -9.582870      9.026796  
1 1 1 -20 33  9  o 107.307 2.9378  6253.18    341.450  6260.75    393.829  6230.29    685.221  107.323 3.3880  106.491 5.9648  0.8323593      6.859868  
1 1 1 -20 33  10 o 74.196  2.9644  2990.54    238.223  2992.12    274.854  2985.75    477.608  74.177  3.4211  73.537  6.0501  0.6402130      6.950388  
1 1 1 -20 33  11 o 177.489 3.6049  17146.05   693.013  17210.56   802.191  16956.26   1375.95  177.673 4.1686  175.174 7.2521  2.499374       8.364785  
1 1 1 -20 33  12 f 182.203 3.7380  18084.82   737.668  18171.96   853.014  17826.40   1469.01  182.462 4.3163  179.270 7.5656  3.192001       8.710286  
1 1 1 -20 33  13 o 58.504  3.6491  1872.04    230.075  1818.46    270.266  2013.07    438.489  57.534  4.3697  59.956  6.8767  -2.422150      8.147622  
1 1 1 -20 33  14 o 121.777 3.1779  8071.99    419.151  7883.77    495.439  8545.91    786.171  120.217 3.8050  124.556 5.8275  -4.339470      6.959728  
1 1 1 -20 33  15 o 86.035  3.2615  4032.74    303.922  3836.36    360.748  4512.98    564.146  83.793  3.9749  90.256  5.8017  -6.463226      7.032723  
1 1 1 -20 33  16 o 50.273  4.2651  1393.78    230.048  1381.99    267.990  1426.80    448.489  49.884  5.0286  49.554  8.6719  0.3299484      10.02439  
1 1 1 -20 33  17 o 29.017  6.6458  487.635    204.376  529.121    237.988  371.090    398.887  30.123  7.3577  27.540  10.149  2.582325       12.53524  
1 1 1 -20 33  18 o 38.585  5.3604  838.935    217.971  818.860    254.781  893.744    420.984  37.796  6.4555  38.439  10.012  -0.6434364     11.91282  
1 1 1 -20 33  19 o 33.586  1.6538  612.364    60.159   492.479    242.861  620.201    62.094   28.893  7.6428  33.755  1.7039  -4.861637      7.830406  
1 1 1 -20 33  20 o 37.711  5.5709  809.335    220.691  856.043    273.889  722.875    372.640  38.369  6.8415  34.404  9.6233  3.965240       11.80740  
1 1 1 -20 33  21 o 66.636  3.9070  2453.81    280.755  2713.52    348.348  1972.38    474.274  69.808  4.6335  58.028  7.7390  11.77995       9.020089  
1 1 1 -20 33  22 o 22.895  7.6172  296.287    220.953  209.558    416.397  330.278    260.680  24.343  9.9520  24.222  8.2739  0.1205578      12.94215  
1 1 1 -20 33  23 o 57.018  2.6234  1779.65    162.011  1599.21    469.962  1803.98    172.590  50.808  8.8623  57.369  2.7776  -6.560860      9.287394  
1 1 1 -20 33  24 o 17.059  7.1462  68.968     221.935  -148.6693  434.143  145.964    258.226  19.545  8.9780  19.469  7.8828  0.7625580E-01  11.94752  
1 1 1 -20 33  25 o 25.310  10.113  363.136    418.977  363.136    418.977  0.0000     0.0000   25.310  10.113  ?       ?       0.000000       10.11330  
1 1 1 -20 33  26 o 22.385  1.4108  273.917    34.031   273.917    34.031   0.0000     0.0000   22.385  1.4108  ?       ?       0.000000       1.410810  
1 1 1 -20 33  27 o 25.442  9.8488  434.359    386.575  434.359    386.575  0.0000     0.0000   25.442  9.8488  ?       ?       0.000000       9.848791  
1 1 1 -20 33  28 o 24.616  9.9642  406.776    412.489  406.776    412.489  0.0000     0.0000   24.616  9.9642  ?       ?       0.000000       9.964220  
1 1 1 -20 33  29 o 29.008  10.564  682.885    430.368  682.885    430.368  0.0000     0.0000   29.008  10.564  ?       ?       0.000000       10.56389  
1 1 1 -20 34  1  o 2.6491  1.3437  -73.0257   19.816   -74.0820   19.863   149.523    288.312  ?       ?       21.503  8.4533  0.000000       8.453319  
1 1 1 -20 34  2  f 123.273 2.9644  8246.95    395.806  8072.16    451.789  8824.04    820.909  121.917 3.4214  127.107 5.9629  -5.189346      6.874722  
1 1 1 -20 34  3  o 95.704  2.5303  4967.87    262.283  4782.60    313.068  5404.05    480.365  93.867  3.0793  99.656  4.4504  -5.788399      5.411849  
1 1 1 -20 34  4  o 103.183 2.9142  5777.86    325.684  5962.45    370.871  5155.79    680.826  104.790 3.2676  96.853  6.5282  7.937775       7.300338  
1 1 1 -20 34  5  o 153.465 3.3130  12790.18   550.681  12947.30   632.847  12300.21   1117.54  154.339 3.7858  149.801 6.8878  4.537430       7.859607  
1 1 1 -20 34  6  o 107.147 2.9052  6231.48    337.150  6477.71    385.770  5435.17    693.747  109.211 3.2613  99.416  6.4782  9.795784       7.252812  
1 1 1 -20 34  7  o 46.841  3.2670  1197.61    164.708  1149.03    186.877  1366.68    348.643  45.811  3.8006  49.490  6.6744  -3.678776      7.680643  
1 1 1 -20 34  8  o 89.409  3.3133  4343.88    320.860  4650.22    391.240  3714.61    560.744  92.447  3.9073  82.070  6.3579  10.37633       7.462564  
1 1 1 -20 34  9  o 110.219 2.9391  6598.07    350.869  6710.25    410.813  6295.62    674.574  111.095 3.4141  107.051 5.8400  4.044395       6.764748  
1 1 1 -20 34  10 f 105.194 2.9758  6012.25    339.048  5957.78    392.989  6170.82    670.526  104.656 3.4670  105.920 5.8677  -1.264175      6.815386  
1 1 1 -20 34  11 f 29.527  5.5734  493.218    171.707  434.704    205.096  630.341    313.968  27.541  6.8922  33.026  8.6679  -5.484827      11.07406  
1 1 1 -20 34  12 o 147.318 3.3643  11811.15   536.806  11750.92   620.684  11989.91   1069.31  146.817 3.9032  147.359 6.6997  -0.5418549     7.753805  
1 1 1 -20 34  13 o 31.899  1.7265  553.431    59.430   562.329    226.764  552.775    61.582   31.292  6.8781  31.875  1.7910  -0.5822849     7.107505  
1 1 1 -20 34  14 o 29.243  0.8661  463.286    27.432   -124.9304  229.202  471.834    27.631   14.694  6.6626  29.511  0.8644  -14.81763      6.718493  
1 1 1 -20 34  15 o 55.661  2.3992  1683.46    144.643  1604.26    267.786  1716.08    171.872  53.900  4.6320  56.090  2.8384  -2.189938      5.432477  
1 1 1 -20 34  16 o 126.299 3.2599  8696.72    445.940  8709.65    517.196  8659.25    880.395  126.246 3.7824  124.609 6.5461  1.636711       7.560267  
1 1 1 -20 34  17 o 57.981  3.8642  1847.68    241.284  1880.32    280.581  1755.00    472.751  58.350  4.4737  55.137  8.1629  3.212662       9.308421  
1 1 1 -20 34  18 o 70.271  3.4657  2699.88    263.777  2643.65    305.367  2865.16    523.543  69.291  4.0870  71.108  6.8839  -1.816460      8.005734  
1 1 1 -20 34  19 o 49.247  4.5355  1348.56    239.203  1396.45    281.466  1224.04    453.871  49.893  5.2892  44.979  9.6083  4.913765       10.96791  
1 1 1 -20 34  20 o 31.124  6.4605  565.265    210.662  410.288    260.336  859.227    358.547  26.512  8.2166  37.640  8.9295  -11.12815      12.13457  
1 1 1 -20 34  21 o 31.009  6.7218  566.178    219.247  695.960    276.098  344.645    360.724  34.133  7.6568  25.933  9.6326  8.199804       12.30504  
1 1 1 -20 34  22 f 55.771  2.3789  1696.99    143.702  963.633    452.047  1779.43    151.564  38.741  10.507  57.096  2.4508  -18.35555      10.78949  
1 1 1 -20 34  23 o 35.582  6.4123  750.016    238.033  705.865    441.977  768.054    282.503  32.813  10.766  35.460  7.5851  -2.646759      13.16993  
1 1 1 -20 34  24 o 33.324  6.5970  675.152    229.681  619.177    396.080  703.510    281.921  30.310  10.200  33.289  7.9319  -2.978840      12.92072  
1 1 1 -20 34  25 o 20.128  8.7577  75.666     356.806  75.666     356.806  0.0000     0.0000   20.128  8.7577  ?       ?       0.000000       8.757709  
1 1 1 -20 34  26 o 29.486  10.302  625.695    405.086  625.695    405.086  0.0000     0.0000   29.486  10.302  ?       ?       0.000000       10.30212  
1 1 1 -20 34  27 o 19.372  8.7585  1.7241     392.777  1.7241     392.777  0.0000     0.0000   19.372  8.7585  ?       ?       0.000000       8.758470  
1 1 1 -20 34  28 o 14.319  7.0195  -517.9426  369.760  -517.9426  369.760  0.0000     0.0000   14.319  7.0195  ?       ?       0.000000       7.019488  
1 1 1 -20 35  1  o 48.100  2.7960  1259.65    145.037  1270.09    158.611  1206.38    358.310  48.276  3.0491  46.327  7.3892  1.948345       7.993544  
1 1 1 -20 35  2  o 27.832  1.0795  419.612    32.542   234.594    117.960  434.853    33.855   20.366  5.2974  28.332  1.1033  -7.966078      5.411056  
1 1 1 -20 35  3  o 134.006 3.1239  9749.19    453.415  9945.07    519.166  9119.45    930.869  135.298 3.5428  128.866 6.6923  6.431503       7.572212  
1 1 1 -20 35  4  o 78.641  2.7491  3355.79    234.155  3363.81    263.076  3325.21    513.688  78.715  3.0857  77.741  6.1509  0.9741211      6.881536  
1 1 1 -20 35  5  o 49.320  3.0473  1325.61    161.984  1423.86    181.196  934.636    361.474  51.096  3.2916  40.417  8.5256  10.67897       9.138988  
1 1 1 -20 35  6  o 175.552 3.5785  16750.68   680.413  16859.16   783.196  16416.83   1373.95  176.018 4.1081  172.788 7.3415  3.229248       8.412765  
1 1 1 -20 35  7  o 78.387  2.8080  3335.54    238.404  3498.06    272.220  2800.59    493.882  80.251  3.1319  71.179  6.4771  9.072105       7.194550  
1 1 1 -20 35  8  o 185.164 4.3010  18678.99   862.563  19040.12   1054.55  17949.00   1499.33  186.683 5.2155  180.337 7.6761  6.346466       9.280307  
1 1 1 -20 35  9  o 207.391 4.0259  23425.99   904.313  24098.18   1043.48  21398.12   1812.43  210.168 4.5840  196.275 8.5256  13.89272       9.679822  
1 1 1 -20 35  10 o ?       ?       -130.9818  19.637   201.080    176.301  -135.1534  19.760   19.898  6.8043  ?       ?       0.000000       6.804267  
1 1 1 -20 35  11 o 137.108 3.1926  10223.35   474.114  9958.79    545.698  11037.97   957.565  135.220 3.7260  141.629 6.2423  -6.409470      7.269766  
1 1 1 -20 35  12 o 60.585  2.4840  1993.25    163.000  2031.07    258.466  1968.27    210.033  60.906  3.9392  60.060  3.2407  0.8459167      5.100929  
1 1 1 -20 35  13 o 41.117  4.3506  933.945    190.807  959.300    221.310  860.513    376.624  41.545  5.0201  38.355  9.1870  3.190159       10.46912  
1 1 1 -20 35  14 o 114.009 3.1119  7075.62    384.267  6957.20    446.756  7412.32    753.351  112.941 3.6522  115.722 6.0314  -2.780891      7.050955  
1 1 1 -20 35  15 o 92.394  3.1579  4650.58    316.017  4635.97    370.520  4689.59    605.315  92.145  3.7125  91.846  6.1199  0.2987900      7.157915  
1 1 1 -20 35  16 o 126.525 3.2109  8727.57    440.015  8200.97    509.745  10267.07   871.576  122.472 3.8428  136.153 5.9103  -13.68066      7.049705  
1 1 1 -20 35  17 o 141.699 3.3368  10961.95   512.118  10399.41   593.481  12602.06   1013.36  137.783 3.9769  150.439 6.2192  -12.65646      7.382015  
1 1 1 -20 35  18 o 25.696  1.9321  360.690    53.379   543.934    231.322  350.383    54.860   30.485  7.1325  25.314  2.0176  5.170807       7.412414  
1 1 1 -20 35  19 o 56.479  4.2440  1765.65    257.721  1731.96    306.282  1847.35    476.967  55.657  5.1388  56.278  8.0546  -0.6208191     9.554288  
1 1 1 -20 35  20 o 44.427  4.8244  1106.79    228.413  1046.77    272.391  1248.97    419.240  42.780  6.0472  45.584  8.8102  -2.804024      10.68587  
1 1 1 -20 35  21 o 23.149  7.3071  307.558    204.872  277.586    253.433  364.084    348.036  22.916  8.1362  26.140  9.5028  -3.223898      12.51007  
1 1 1 -20 35  22 o 17.100  7.3888  5.0964     250.490  -30.0907   377.531  32.769     334.797  20.112  8.8715  19.886  8.5675  0.2258282      12.33314  
1 1 1 -20 35  23 o 46.569  4.8735  1234.34    242.176  938.289    404.599  1399.63    302.311  37.897  9.7884  49.149  5.7900  -11.25247      11.37264  
1 1 1 -20 35  24 o 18.808  7.6834  128.876    247.962  -8.3096    350.920  265.675    350.424  19.077  8.4771  23.141  9.2482  -4.063936      12.54552  
1 1 1 -20 35  25 o 22.567  9.3973  219.118    380.523  219.118    380.523  0.0000     0.0000   22.567  9.3973  ?       ?       0.000000       9.397306  
1 1 1 -20 35  26 o 19.764  8.7272  54.052     366.259  54.052     366.259  0.0000     0.0000   19.764  8.7272  ?       ?       0.000000       8.727180  
1 1 1 -20 35  27 o 23.036  9.6222  284.206    400.716  284.206    400.716  0.0000     0.0000   23.036  9.6222  ?       ?       0.000000       9.622227  
1 1 1 -20 35  28 o 11.961  2.5562  82.149     32.112   82.149     32.112   0.0000     0.0000   11.961  2.5562  ?       ?       0.000000       2.556230  
1 1 1 -20 36  1  o 88.402  2.7018  4240.53    258.692  4246.95    291.899  4217.04    558.456  88.446  3.0471  87.637  5.9181  0.8083420      6.656479  
1 1 1 -20 36  2  o 122.224 2.9745  8109.28    393.772  8061.81    449.434  8266.10    816.898  121.821 3.4062  122.929 6.1354  -1.107697      7.017514  
1 1 1 -20 36  3  o 153.045 3.3936  12724.13   562.536  12959.06   623.470  11695.41   1304.64  154.402 3.7281  145.380 8.3200  9.022324       9.117104  
1 1 1 -20 36  4  o 80.563  2.7067  3521.99    236.186  3461.63    265.268  3752.88    518.806  79.847  3.0673  82.659  5.8323  -2.811913      6.589728  
1 1 1 -20 36  5  o 65.235  2.7603  2309.67    195.034  2385.12    219.395  2025.41    425.860  66.276  3.0563  60.432  6.6142  5.843842       7.286221  
1 1 1 -20 36  6  o 82.305  2.7189  3676.71    242.381  3455.63    274.954  4447.44    513.380  79.760  3.1828  90.094  5.2842  -10.33415      6.168688  
1 1 1 -20 36  7  o 173.665 3.4997  16396.47   658.292  16163.59   757.831  17112.39   1328.76  172.312 4.0606  176.413 6.9542  -4.100510      8.052854  
1 1 1 -20 36  8  o 180.926 4.2672  17837.71   836.216  18599.40   1022.55  16299.92   1452.93  184.499 5.1171  171.706 7.8124  12.79240       9.339097  
1 1 1 -20 36  9  f 51.269  4.1826  1441.97    230.235  1529.00    296.152  1309.01    366.045  52.613  5.2678  48.201  7.2348  4.411880       8.949371  
1 1 1 -20 36  10 o 81.956  2.9968  3650.34    266.018  3498.57    304.454  4140.14    546.946  80.182  3.5057  86.660  5.8616  -6.478233      6.829978  
1 1 1 -20 36  11 o 74.685  3.0344  3032.58    245.457  2993.69    280.268  3160.63    508.523  74.158  3.4894  75.516  6.2741  -1.358124      7.179141  
1 1 1 -20 36  12 o 122.850 3.0754  8208.45    409.207  8316.73    478.297  7912.75    790.405  123.565 3.5738  119.712 6.1164  3.852982       7.083930  
1 1 1 -20 36  13 o 19.588  6.6098  199.111    166.344  241.249    191.674  70.537     334.812  21.345  7.0942  21.142  8.8102  0.2033138      11.31142  
1 1 1 -20 36  14 o 93.050  3.1054  4714.03    312.969  4441.06    364.130  5485.89    612.297  90.210  3.7268  99.599  5.6996  -9.389160      6.809848  
1 1 1 -20 36  15 o 27.635  6.5122  440.611    191.722  483.308    229.100  340.836    350.216  28.862  7.3184  26.314  9.5377  2.547359       12.02191  
1 1 1 -20 36  16 o 52.135  2.3265  1477.29    131.370  1412.03    266.773  1498.18    150.941  50.422  4.9486  52.406  2.6681  -1.983505      5.622011  
1 1 1 -20 36  17 f 23.937  7.1444  327.131    199.324  328.223    230.206  323.860    398.410  24.236  7.7559  26.588  10.071  -2.351395      12.71158  
1 1 1 -20 36  18 o 37.227  5.4215  783.926    212.180  993.709    284.832  522.370    318.044  41.646  6.5293  29.812  9.0534  11.83410       11.16225  
1 1 1 -20 36  19 o 20.295  7.3416  201.954    207.361  116.797    243.756  424.972    394.471  19.189  7.6975  28.158  10.134  -8.968479      12.72624  
1 1 1 -20 36  20 f 59.581  4.1625  1967.03    266.928  2134.95    317.138  1559.05    494.329  61.870  4.7694  50.737  9.3395  11.13260       10.48683  
1 1 1 -20 36  21 o 50.383  4.4031  1415.83    237.866  1450.33    290.970  1346.32    413.008  50.641  5.3877  47.423  8.3455  3.217327       9.933496  
1 1 1 -20 36  22 o 27.515  7.7589  458.445    241.221  594.163    321.922  284.678    364.263  30.930  9.0403  24.550  9.5445  6.379652       13.14623  
1 1 1 -20 36  23 o 19.248  7.3374  174.648    212.310  272.101    363.666  124.259    261.500  23.874  9.4594  19.278  7.8846  4.596138       12.31452  
1 1 1 -20 36  24 o 13.131  1.2931  94.628     18.152   43.079     28.018   131.919    23.830   8.8248  2.6887  15.506  1.4352  -6.680916      3.047771  
1 1 1 -20 36  25 o 4.6438  2.2343  -49.1827   33.070   -49.1827   33.070   0.0000     0.0000   4.6438  2.2343  ?       ?       0.000000       2.234342  
1 1 1 -20 36  26 o 16.923  7.9739  -238.1682  378.499  -238.1682  378.499  0.0000     0.0000   16.923  7.9739  ?       ?       0.000000       7.973868  
1 1 1 -20 36  27 o 18.824  8.5211  -8.8593    373.081  -8.8593    373.081  0.0000     0.0000   18.824  8.5211  ?       ?       0.000000       8.521067  
1 1 1 -20 36  28 o 23.340  9.6003  333.752    390.436  333.752    390.436  0.0000     0.0000   23.340  9.6003  ?       ?       0.000000       9.600277  
1 1 1 -20 37  1  o 138.690 3.0500  10444.38   458.158  10362.93   523.928  10709.06   944.491  138.090 3.5030  139.850 6.2354  -1.759583      7.152019  
1 1 1 -20 37  2  o 72.901  2.1639  2881.95    170.860  2700.96    222.584  3141.58    266.592  70.537  2.9134  76.052  3.2364  -5.514938      4.354610  
1 1 1 -20 37  3  o 91.523  2.7421  4546.01    271.818  4602.13    307.244  4343.90    583.093  92.060  3.0814  88.889  6.0933  3.171234       6.828071  
1 1 1 -20 37  4  o 51.418  2.8020  1439.29    155.461  1415.22    170.422  1558.58    379.427  50.955  3.1027  52.878  6.7811  -1.923611      7.457268  
1 1 1 -20 37  5  o 82.523  2.5538  3695.26    228.260  3893.11    280.978  3311.25    391.440  84.667  3.0640  77.802  4.6668  6.864876       5.582708  
1 1 1 -20 37  6  o 108.612 2.8918  6405.31    340.183  6566.86    388.987  5879.96    701.462  109.934 3.2669  103.373 6.2951  6.560722       7.092282  
1 1 1 -20 37  7  o 70.234  2.7889  2678.33    212.152  2660.58    241.015  2739.40    447.087  69.973  3.1801  70.471  5.9121  -0.4979248     6.713108  
1 1 1 -20 37  8  o 33.848  1.9791  623.452    72.239   847.758    221.850  596.848    76.403   39.005  5.3958  33.102  2.1425  5.903431       5.805578  
1 1 1 -20 37  9  o 77.007  3.3477  3225.14    279.221  3126.11    342.026  3423.01    483.477  75.611  4.1929  78.819  5.7019  -3.208534      7.077521  
1 1 1 -20 37  10 o 84.726  2.9855  3901.73    273.976  3993.82    312.550  3596.18    569.299  85.678  3.3681  80.524  6.5851  5.153824       7.396423  
1 1 1 -20 37  11 o 65.173  2.4750  2306.41    174.709  2261.83    261.222  2342.50    235.005  64.319  3.7662  65.527  3.3220  -1.208878      5.021966  
1 1 1 -20 37  12 o 73.295  3.1498  2922.80    250.046  2904.66    287.730  2978.80    505.388  73.010  3.6386  73.190  6.4409  -0.1802750     7.397602  
1 1 1 -20 37  13 o 64.589  3.3621  2278.39    234.386  2179.82    271.281  2568.64    465.516  63.062  3.9923  67.874  6.4081  -4.811470      7.550038  
1 1 1 -20 37  14 o 90.074  3.1260  4418.38    304.969  4474.59    354.927  4259.79    596.151  90.559  3.6186  87.477  6.3350  3.082718       7.295600  
1 1 1 -20 37  15 o 72.737  3.3376  2884.92    262.942  2829.41    309.440  3029.11    498.745  71.820  3.9937  73.636  6.3146  -1.815536      7.471516  
1 1 1 -20 37  16 o 62.445  3.6251  2137.55    244.126  2070.87    290.080  2299.42    451.978  61.284  4.3994  63.902  6.6266  -2.617661      7.954085  
1 1 1 -20 37  17 o 27.760  6.7887  448.615    202.418  399.371    233.658  596.717    405.219  26.280  7.7078  32.003  10.295  -5.723461      12.86088  
1 1 1 -20 37  18 o 30.056  6.6460  526.354    210.605  507.473    245.715  578.624    408.839  29.335  7.6530  31.485  10.356  -2.149956      12.87694  
1 1 1 -20 37  19 o 44.414  4.7808  1103.61    226.358  898.859    263.745  1676.17    441.038  39.528  6.3775  53.605  7.8270  -14.07750      10.09624  
1 1 1 -20 37  20 o 92.516  3.4439  4694.74    345.097  4415.56    406.964  5409.33    651.093  89.447  4.2007  97.772  6.1801  -8.324982      7.472598  
1 1 1 -20 37  21 o 62.487  4.0988  2166.21    275.869  2224.46    334.562  2042.49    487.605  62.988  4.9437  58.861  7.8436  4.127068       9.271620  
1 1 1 -20 37  22 o 53.116  4.7557  1589.83    270.698  1451.61    347.779  1802.29    431.175  49.854  6.6033  55.140  7.4070  -5.286293      9.923024  
1 1 1 -20 37  23 o 21.525  7.4972  263.091    214.449  200.754    364.141  296.190    265.344  22.604  9.2813  22.952  8.3045  -0.3482304     12.45426  
1 1 1 -20 37  24 o 28.358  8.0954  518.987    260.937  813.203    363.952  207.790    374.306  34.640  9.4420  22.461  9.3338  12.17892       13.27674  
1 1 1 -20 37  25 o 21.071  9.1061  118.781    380.573  118.781    380.573  0.0000     0.0000   21.071  9.1061  ?       ?       0.000000       9.106128  
1 1 1 -20 37  26 o 27.657  9.9943  539.630    384.130  539.630    384.130  0.0000     0.0000   27.657  9.9943  ?       ?       0.000000       9.994267  
1 1 1 -20 37  27 o 21.113  9.2215  149.613    398.915  149.613    398.915  0.0000     0.0000   21.113  9.2215  ?       ?       0.000000       9.221519  
1 1 1 -20 37  28 o 20.269  8.9553  113.692    386.194  113.692    386.194  0.0000     0.0000   20.269  8.9553  ?       ?       0.000000       8.955297  
1 1 1 -20 38  1  o 50.281  2.1302  1371.04    116.008  1394.15    121.904  1149.34    377.586  50.700  2.2199  44.990  8.0439  5.710278       8.344624  
1 1 1 -20 38  2  o 135.363 3.0452  9950.46    446.463  9806.56    510.396  10419.35   921.311  134.319 3.5083  137.924 6.1673  -3.604416      7.095360  
1 1 1 -20 38  3  o 151.670 3.3689  12500.33   553.417  12757.91   613.831  11381.62   1279.24  153.171 3.7000  143.274 8.2788  9.896820       9.068044  
1 1 1 -20 38  4  o 188.619 3.7344  19349.35   762.908  19634.33   877.381  18465.98   1544.72  189.879 4.2662  182.958 7.7952  6.921005       8.886238  
1 1 1 -20 38  5  o 92.216  2.7740  4616.42    277.069  4676.09    314.415  4409.09    586.130  92.779  3.1288  89.508  6.0820  3.270561       6.839608  
1 1 1 -20 38  6  o 38.379  3.3251  806.567    136.856  806.111    151.369  808.610    320.299  38.319  3.6928  37.539  8.1143  0.7802353      8.915089  
1 1 1 -20 38  7  o 110.305 2.8897  6608.50    345.243  6659.32    395.935  6447.26    705.211  110.679 3.3028  108.258 6.0384  2.421005       6.882673  
1 1 1 -20 38  8  o 180.536 4.2027  17766.51   821.795  17694.20   1004.92  17912.48   1427.86  179.872 5.1582  180.088 7.3203  -0.2160339     8.955123  
1 1 1 -20 38  9  o 151.319 3.8587  12473.08   632.419  12189.07   771.491  13054.88   1104.19  149.357 4.7691  153.936 6.6227  -4.579102      8.161168  
1 1 1 -20 38  10 o 85.967  2.9520  4017.01    274.866  3988.69    313.264  4111.75    572.988  85.615  3.3782  86.233  6.1757  -0.6174927     7.039334  
1 1 1 -20 38  11 o 107.412 3.0241  6273.66    351.815  6330.15    405.041  6100.09    709.980  107.825 3.4682  105.034 6.2695  2.790733       7.164824  
1 1 1 -20 38  12 o 99.116  3.0472  5344.22    327.131  5390.20    378.497  5208.47    650.365  99.468  3.5133  96.972  6.2250  2.496048       7.148013  
1 1 1 -20 38  13 o 162.503 3.4465  14391.57   606.617  14050.15   700.386  15416.70   1213.63  160.378 4.0320  166.726 6.7206  -6.348373      7.837352  
1 1 1 -20 38  14 o 63.115  3.6491  2181.18    248.387  2243.84    295.472  2030.19    458.626  63.885  4.2952  59.931  7.2100  3.953381       8.392453  
1 1 1 -20 38  15 o 66.238  3.4310  2400.07    245.306  2194.36    288.329  2939.25    466.794  63.158  4.2395  72.619  5.9882  -9.460690      7.337018  
1 1 1 -20 38  16 o 44.503  4.4397  1097.80    211.142  1272.26    252.066  687.508    386.553  47.818  4.9380  34.030  9.8948  13.78766       11.05855  
1 1 1 -20 38  17 o 22.104  7.3887  263.851    207.842  269.053    252.202  252.838    366.929  22.946  8.1197  24.710  9.5869  -1.764292      12.56339  
1 1 1 -20 38  18 o 81.058  3.4075  3594.80    299.158  3472.56    349.500  3929.82    578.592  79.393  4.0781  83.438  6.4525  -4.044571      7.633221  
1 1 1 -20 38  19 o 76.062  3.6024  3173.67    296.777  3167.44    349.540  3189.77    561.746  75.674  4.2822  74.648  7.0307  1.026611       8.232133  
1 1 1 -20 38  20 o 65.641  3.9696  2381.89    280.899  2337.58    334.562  2487.76    517.118  64.721  4.8070  65.489  7.4214  -0.7686462     8.842173  
1 1 1 -20 38  21 o 58.911  4.4463  1936.17    281.615  1780.55    339.722  2278.00    503.502  55.964  5.6835  62.264  7.6255  -6.300514      9.510526  
1 1 1 -20 38  22 f 53.588  4.7240  1619.66    271.380  1653.16    349.727  1568.96    430.242  53.423  6.1568  50.890  8.0753  2.532677       10.15466  
1 1 1 -20 38  23 o 41.788  1.9932  953.199    90.214   960.336    94.920   886.536    290.098  41.927  2.0902  38.001  7.3136  3.925957       7.606408  
1 1 1 -20 38  24 o 43.912  8.4965  1243.84    389.493  1243.84    389.493  0.0000     0.0000   43.912  8.4965  ?       ?       0.000000       8.496523  
1 1 1 -20 38  25 o 48.782  8.3769  1545.35    426.655  1545.35    426.655  0.0000     0.0000   48.782  8.3769  ?       ?       0.000000       8.376915  
1 1 1 -20 38  26 o 68.123  6.3524  2829.39    463.303  2829.39    463.303  0.0000     0.0000   68.123  6.3524  ?       ?       0.000000       6.352421  
1 1 1 -20 38  27 f 23.197  9.5187  313.866    382.688  313.866    382.688  0.0000     0.0000   23.197  9.5187  ?       ?       0.000000       9.518744  
1 1 1 -20 38  28 o 16.848  7.9885  -234.6360  391.126  -234.6360  391.126  0.0000     0.0000   16.848  7.9885  ?       ?       0.000000       7.988544  
1 1 1 -20 39  1  o 64.898  2.5000  2285.43    175.730  2185.81    194.047  2739.61    414.341  63.451  2.8236  70.587  5.4620  -7.136337      6.148685  
1 1 1 -20 39  2  o 34.848  3.0475  664.574    113.870  638.431    121.809  845.738    320.652  34.114  3.3395  38.458  7.9603  -4.344181      8.632423  
1 1 1 -20 39  3  o 135.964 3.1870  10043.46   469.332  10318.36   537.023  9154.56    965.678  137.751 3.5994  128.856 6.9449  8.895050       7.822192  
1 1 1 -20 39  4  o 60.737  2.7200  2002.60    178.938  2007.73    198.047  1979.81    417.522  60.799  3.0075  59.703  6.5652  1.095814       7.221237  
1 1 1 -20 39  5  o 108.996 2.7889  6450.54    329.248  6349.48    375.022  6790.38    687.706  108.094 3.2032  111.224 5.7281  -3.129143      6.562916  
1 1 1 -20 39  6  o 101.041 2.6718  5542.65    292.398  5319.19    344.411  6119.46    553.341  98.928  3.2143  105.871 4.8255  -6.942947      5.798045  
1 1 1 -20 39  7  o 35.919  3.7717  709.933    144.544  736.649    162.530  608.872    316.116  36.531  4.1831  32.524  8.7723  4.007069       9.718647  
1 1 1 -20 39  8  f 104.862 3.3438  5980.54    379.778  5881.37    455.727  6205.96    687.068  103.885 4.0503  106.154 6.0003  -2.269180      7.239373  
1 1 1 -20 39  9  o 50.923  4.0344  1422.36    220.696  1368.62    260.625  1558.55    414.908  49.795  4.8956  52.553  7.5021  -2.758224      8.958196  
1 1 1 -20 39  10 o 51.160  1.7258  1419.24    95.627   676.137    239.622  1560.01    104.291  34.447  6.6634  53.634  1.7953  -19.18681      6.901064  
1 1 1 -20 39  11 o 64.766  3.1357  2281.91    219.963  2099.22    250.357  2900.24    460.596  61.948  3.7490  72.366  5.9285  -10.41798      7.014365  
1 1 1 -20 39  12 o 63.479  3.2918  2199.89    225.547  2175.18    258.618  2278.38    460.975  63.035  3.8058  63.798  6.7748  -0.7630386     7.770575  
1 1 1 -20 39  13 f 59.480  3.5903  1936.52    230.212  1651.57    268.394  2729.77    447.809  54.724  4.5700  70.073  5.9568  -15.34901      7.507895  
1 1 1 -20 39  14 o 22.032  6.7641  271.033    176.904  316.168    205.343  141.099    348.405  23.735  7.2877  22.559  9.1485  1.175816       11.69641  
1 1 1 -20 39  15 o 22.258  6.9218  276.351    184.573  349.210    218.173  92.926     346.170  24.800  7.4910  21.666  8.9875  3.134340       11.70005  
1 1 1 -20 39  16 o 18.895  7.0159  159.313    191.325  106.300    233.099  268.764    334.933  18.788  7.5307  24.474  9.2429  -5.685602      11.92236  
1 1 1 -20 39  17 o 59.921  2.6117  1955.28    169.504  1919.78    309.674  1970.46    202.538  58.772  4.9098  60.002  3.1274  -1.230103      5.821198  
1 1 1 -20 39  18 o 39.367  5.2701  874.362    219.071  810.536    253.932  1060.13    433.217  37.501  6.4864  41.738  9.7578  -4.236820      11.71700  
1 1 1 -20 39  19 o 28.070  7.2134  465.877    220.494  431.651    261.171  550.806    411.410  27.096  8.1986  30.689  10.395  -3.592602      13.23883  
1 1 1 -20 39  20 o 55.140  2.4303  1657.30    145.142  1525.77    297.738  1698.31    166.232  52.008  5.3626  55.766  2.7521  -3.758556      6.027540  
1 1 1 -20 39  21 o 93.805  3.0821  4824.39    313.144  4819.07    408.213  4831.99    488.129  93.344  4.0377  92.917  4.8672  0.4271698      6.323967  
1 1 1 -20 39  22 o 30.229  1.7375  498.931    56.649   547.903    306.662  497.201    57.641   29.557  8.8707  30.172  1.7716  -0.6148243     9.045885  
1 1 1 -20 39  23 o 21.179  7.4207  256.256    210.247  81.801     345.641  358.716    264.888  20.275  8.7202  24.310  8.3399  -4.034945      12.06629  
1 1 1 -20 39  24 o 54.831  7.4737  1862.95    432.279  1862.95    432.279  0.0000     0.0000   54.831  7.4737  ?       ?       0.000000       7.473684  
1 1 1 -20 39  25 o 32.738  9.9383  762.647    383.312  762.647    383.312  0.0000     0.0000   32.738  9.9383  ?       ?       0.000000       9.938342  
1 1 1 -20 39  26 o 45.647  9.1405  1432.63    436.148  1432.63    436.148  0.0000     0.0000   45.647  9.1405  ?       ?       0.000000       9.140456  
1 1 1 -20 39  27 o 18.922  8.5938  -9.4983    383.322  -9.4983    383.322  0.0000     0.0000   18.922  8.5938  ?       ?       0.000000       8.593804  
1 1 1 -20 39  28 o 19.513  8.8245  30.466     399.017  30.466     399.017  0.0000     0.0000   19.513  8.8245  ?       ?       0.000000       8.824549  
1 1 1 -20 40  1  o 108.606 3.2015  6409.73    376.596  6339.45    452.878  6567.26    678.022  107.923 3.8743  109.372 5.7437  -1.448608      6.928232  
1 1 1 -20 40  2  o 18.213  4.3901  188.012    85.586   191.154    89.559   154.931    290.568  18.364  4.5306  21.598  8.4877  -3.233370      9.621210  
1 1 1 -20 40  3  o 40.643  2.2413  898.782    98.281   1230.49    156.408  682.357    126.338  47.495  3.0567  35.273  3.3469  12.22179       4.532708  
1 1 1 -20 40  4  o 95.163  2.6722  4916.29    275.425  4658.84    310.525  5865.86    596.375  92.600  3.0961  103.438 5.3414  -10.83835      6.173846  
1 1 1 -20 40  5  o 84.913  2.7869  3915.35    256.309  4080.06    291.028  3345.91    541.114  86.653  3.1009  77.773  6.4828  8.879616       7.186275  
1 1 1 -20 40  6  o 85.030  2.7926  3926.54    257.190  4111.45    293.986  3323.48    530.922  86.978  3.1207  77.516  6.3803  9.461815       7.102599  
1 1 1 -20 40  7  o 32.751  3.9065  592.380    135.839  657.138    146.224  184.453    366.997  34.505  3.9859  23.954  9.4990  10.55101       10.30136  
1 1 1 -20 40  8  o 64.630  2.3902  2267.22    167.312  2445.90    229.906  2066.05    243.949  67.070  3.1648  61.491  3.6797  5.579033       4.853497  
1 1 1 -20 40  9  o 58.710  3.7831  1885.57    239.282  1760.47    283.869  2192.66    444.745  56.567  4.6751  62.716  6.6487  -6.148960      8.127836  
1 1 1 -20 40  10 o 86.043  2.9336  4024.69    273.391  3929.51    311.586  4343.12    569.890  84.966  3.3858  88.663  5.9692  -3.696777      6.862566  
1 1 1 -20 40  11 o 47.744  3.7475  1250.26    192.236  1388.64    218.397  774.253    405.060  50.282  4.0444  36.357  9.9821  13.92544       10.77029  
1 1 1 -20 40  12 o 78.168  2.6887  3321.49    227.634  3519.96    303.615  3066.71    344.002  80.367  3.4880  74.780  4.2649  5.586769       5.509554  
1 1 1 -20 40  13 o 70.194  2.6039  2678.65    197.969  2434.04    291.141  2889.01    269.995  66.610  4.0548  72.796  3.4244  -6.185936      5.307305  
1 1 1 -20 40  14 o 4.5010  2.1349  -34.5382   27.983   331.659    210.764  -41.1095   28.233   24.243  7.3717  4.3386  2.0815  19.90394       7.659957  
1 1 1 -20 40  15 f 45.197  4.6035  1133.03    222.210  1172.05    267.348  1045.86    399.638  45.751  5.5057  42.092  9.0361  3.659771       10.58129  
1 1 1 -20 40  16 o 47.242  4.3401  1235.54    219.592  1330.53    263.011  1016.95    398.985  48.859  5.0425  41.334  9.1535  7.524910       10.45054  
1 1 1 -20 40  17 o 27.175  7.2979  432.199    219.343  371.718    280.484  527.416    351.930  25.834  8.5816  30.092  9.5854  -4.257694      12.86563  
1 1 1 -20 40  18 o 22.629  7.4287  283.658    210.413  323.526    246.038  175.112    405.975  24.151  8.0381  24.031  9.8258  0.1202278      12.69480  
1 1 1 -20 40  19 o 72.609  2.7798  2878.03    218.608  2710.77    336.739  2999.86    287.405  69.893  4.4717  73.933  3.5891  -4.040451      5.733894  
1 1 1 -20 40  20 o 45.725  2.2171  1138.57    109.802  1118.54    292.802  1141.85    118.446  44.076  6.3138  45.707  2.4010  -1.631172      6.754947  
1 1 1 -20 40  21 o 22.700  7.8402  285.164    234.283  436.042    285.503  -25.8967   409.940  27.011  8.6366  20.948  9.2422  6.063190       12.64952  
1 1 1 -20 40  22 o 22.684  1.5044  280.961    36.751   198.706    311.676  282.120    37.009   21.791  8.7172  22.730  1.5119  -0.9388618     8.847356  
1 1 1 -20 40  23 o 26.987  8.2352  464.233    262.694  461.352    373.692  467.047    369.358  27.063  9.8456  27.156  9.8022  -0.9244347E-01 13.89309  
1 1 1 -20 40  24 o 46.177  8.1774  1361.11    394.017  1361.11    394.017  0.0000     0.0000   46.177  8.1774  ?       ?       0.000000       8.177381  
1 1 1 -20 40  25 o 29.164  10.196  601.707    396.827  601.707    396.827  0.0000     0.0000   29.164  10.196  ?       ?       0.000000       10.19618  
1 1 1 -20 40  26 o 23.590  9.6072  319.228    386.160  319.228    386.160  0.0000     0.0000   23.590  9.6072  ?       ?       0.000000       9.607183  
1 1 1 -20 40  27 o 21.184  9.3666  136.792    423.279  136.792    423.279  0.0000     0.0000   21.184  9.3666  ?       ?       0.000000       9.366569  
1 1 1 -20 41  1  o 38.963  5.3639  845.544    220.362  1071.23    297.128  569.666    328.509  43.703  6.4728  31.599  9.1027  12.10429       11.16944  
1 1 1 -20 41  2  o 88.403  2.7396  4243.41    262.315  4203.15    296.716  4387.46    561.261  87.949  3.1149  89.294  5.8353  -1.345421      6.614633  
1 1 1 -20 41  3  o 129.175 2.9197  9063.59    408.496  8469.31    465.655  11048.29   850.976  124.796 3.4450  142.070 5.5302  -17.27462      6.515517  
1 1 1 -20 41  4  o 37.021  1.5809  742.892    63.389   734.951    64.627   944.199    325.385  36.822  1.6205  40.701  7.6622  -3.879566      7.831683  
1 1 1 -20 41  5  o 54.183  2.8511  1599.01    166.729  1572.70    185.034  1712.56    384.457  53.695  3.1961  55.440  6.5276  -1.745285      7.268058  
1 1 1 -20 41  6  o 20.489  5.1192  238.542    113.278  224.085    119.906  358.577    345.500  19.909  5.4166  26.874  9.5043  -6.965624      10.93944  
1 1 1 -20 41  7  o 98.910  2.7955  5314.45    299.476  5293.46    338.838  5389.37    640.178  98.671  3.1705  98.882  6.0059  -0.2109909     6.791358  
1 1 1 -20 41  8  o 128.600 3.0776  8991.39    428.677  8804.04    489.506  9607.83    887.911  127.171 3.5539  132.147 6.2036  -4.975998      7.149436  
1 1 1 -20 41  9  o 128.614 3.6757  9010.56    512.039  9268.21    613.898  8421.56    928.200  130.288 4.3503  123.222 6.9835  7.065674       8.227642  
1 1 1 -20 41  10 o 83.737  2.9732  3812.71    269.653  3880.73    307.104  3583.74    563.455  84.434  3.3582  80.315  6.5339  4.118752       7.346400  
1 1 1 -20 41  11 o 89.472  3.0266  4354.90    293.295  4154.52    336.928  4981.74    595.921  87.313  3.5628  94.948  5.8228  -7.634888      6.826329  
1 1 1 -20 41  12 o 60.243  2.3713  1971.41    154.725  1726.26    258.286  2108.63    193.233  56.021  4.2894  62.261  2.8655  -6.240154      5.158476  
1 1 1 -20 41  13 o 46.006  4.3632  1168.95    214.817  1271.12    254.617  916.603    400.152  47.855  4.9855  39.377  9.4932  8.478077       10.72273  
1 1 1 -20 41  14 o 60.990  3.7229  2039.39    244.753  2018.27    291.423  2089.96    450.900  60.507  4.4786  60.840  6.9682  -0.3329964     8.283356  
1 1 1 -20 41  15 o 17.729  1.6690  172.058    31.672   268.577    218.244  169.982    32.010   22.448  7.5710  17.618  1.6986  4.829985       7.759213  
1 1 1 -20 41  16 o 50.788  4.2730  1426.05    232.870  1521.46    280.305  1213.48    418.372  52.276  5.0120  45.330  8.8389  6.946274       10.16101  
1 1 1 -20 41  17 o 23.976  7.1754  330.129    200.859  460.708    245.180  63.650     350.253  28.004  7.7962  21.135  8.9219  6.869078       11.84827  
1 1 1 -20 41  18 o 46.534  4.6912  1208.69    233.215  1149.71    277.546  1350.34    430.161  45.012  5.8299  47.659  8.6520  -2.646870      10.43291  
1 1 1 -20 41  19 o 50.661  2.3654  1398.12    129.791  1380.10    280.657  1403.02    146.385  49.489  5.3194  50.639  2.6785  -1.149323      5.955725  
1 1 1 -20 41  20 o 46.991  5.0875  1245.28    254.801  1057.88    305.551  1673.09    461.675  42.585  6.8575  52.979  8.3197  -10.39486      10.78159  
1 1 1 -20 41  21 o 53.821  4.6118  1626.66    266.243  1504.74    319.123  1905.84    482.924  51.197  5.8605  56.314  8.1549  -5.116653      10.04234  
1 1 1 -20 41  22 o 15.640  6.9873  -57.7801   241.807  -113.8958  304.277  38.401     398.357  16.823  7.6467  21.051  9.2042  -4.228218      11.96622  
1 1 1 -20 41  23 o 7.4782  2.4702  29.297     23.253   -149.6191  337.743  30.149     23.308   17.120  7.8842  7.5549  2.4721  9.565065       8.262632  
1 1 1 -20 41  24 o 29.096  10.216  580.393    398.565  580.393    398.565  0.0000     0.0000   29.096  10.216  ?       ?       0.000000       10.21590  
1 1 1 -20 41  25 o 29.197  10.518  611.786    424.989  611.786    424.989  0.0000     0.0000   29.197  10.518  ?       ?       0.000000       10.51798  
1 1 1 -20 41  26 o 25.771  1.9770  366.083    54.764   366.083    54.764   0.0000     0.0000   25.771  1.9770  ?       ?       0.000000       1.977016  
1 1 1 -20 41  27 o 20.409  9.0727  95.039     402.371  95.039     402.371  0.0000     0.0000   20.409  9.0727  ?       ?       0.000000       9.072690  
1 1 1 -20 42  1  o 21.587  7.6583  225.079    224.491  602.371    366.565  -1.3509    283.974  32.536  9.6835  18.585  7.9462  13.95013       12.52649  
1 1 1 -20 42  2  o 26.444  4.1965  390.367    116.181  381.669    125.854  440.517    302.192  26.065  4.6274  28.218  8.8701  -2.152859      10.00460  
1 1 1 -20 42  3  o 57.156  3.0539  1780.20    188.371  2005.32    213.259  981.055    401.798  60.647  3.2585  41.152  9.2407  19.49483       9.798441  
1 1 1 -20 42  4  o 80.173  2.4419  3488.65    212.044  3860.96    270.150  2891.17    342.224  84.299  2.9588  72.681  4.3676  11.61835       5.275437  
1 1 1 -20 42  5  o 61.384  2.2681  2044.59    150.795  2160.72    210.688  1922.63    215.921  63.051  3.0852  59.361  3.3723  3.690590       4.570597  
1 1 1 -20 42  6  o 86.307  2.7213  4045.70    254.385  4490.57    309.381  3117.16    446.965  90.884  3.1429  75.222  5.5247  15.66209       6.356115  
1 1 1 -20 42  7  o 87.115  2.8255  4123.35    266.599  4215.20    299.751  3775.61    583.211  88.046  3.1432  82.520  6.5799  5.526215       7.292145  
1 1 1 -20 42  8  o 125.301 3.0083  8535.32    408.272  8717.62    465.726  7930.18    848.525  126.565 3.3974  119.745 6.5675  6.820496       7.394204  
1 1 1 -20 42  9  o 102.691 3.3357  5739.27    371.012  5606.01    445.466  6041.03    670.328  101.372 4.0572  104.637 5.9392  -3.264717      7.192686  
1 1 1 -20 42  10 o 14.116  5.7635  41.452     139.427  18.586     153.206  151.684    336.387  14.136  5.9303  22.565  9.0457  -8.429008      10.81640  
1 1 1 -20 42  11 o 123.253 3.1226  8268.21    416.858  8394.76    479.822  7878.72    841.790  124.098 3.5698  119.141 6.5485  4.956909       7.458313  
1 1 1 -20 42  12 o 97.401  3.0279  5164.02    319.429  4891.63    367.475  6006.15    646.142  94.700  3.5827  104.203 5.7472  -9.502686      6.772459  
1 1 1 -20 42  13 o 70.895  3.2448  2738.97    249.161  2986.12    288.869  2020.76    492.427  73.971  3.6055  59.558  7.8229  14.41267       8.613780  
1 1 1 -20 42  14 o 74.920  3.3422  3061.69    271.207  3141.50    318.233  2849.91    518.391  75.696  3.8947  71.190  6.8060  4.506485       7.841617  
1 1 1 -20 42  15 o 49.494  4.1372  1351.91    219.751  1325.47    259.761  1418.46    412.119  48.800  4.9846  49.532  7.9508  -0.7327538     9.384077  
1 1 1 -20 42  16 o 79.082  2.8295  3408.47    242.359  3379.37    339.335  3438.76    346.266  78.394  4.0099  79.068  4.0570  -0.6736450     5.704218  
1 1 1 -20 42  17 f 87.672  3.4368  4205.89    326.356  4118.17    390.714  4408.32    593.566  86.544  4.1682  88.526  6.2302  -1.982506      7.496007  
1 1 1 -20 42  18 o 69.244  3.6274  2637.21    271.107  2707.67    325.224  2476.74    490.806  69.945  4.3140  65.741  7.0006  4.203827       8.223089  
1 1 1 -20 42  19 o 59.711  4.1835  1975.95    268.850  1795.23    319.826  2411.24    496.366  56.515  5.2864  64.624  7.2147  -8.109173      8.944102  
1 1 1 -20 42  20 o 45.589  4.9189  1171.09    239.036  1157.26    280.923  1207.40    455.017  44.936  5.9158  43.997  9.7997  0.9388580      11.44689  
1 1 1 -20 42  21 o 19.268  7.4343  161.753    219.708  198.262    260.922  72.780     407.316  20.971  8.0988  21.987  9.4615  -1.016241      12.45431  
1 1 1 -20 42  22 o 35.672  6.9272  771.920    257.993  798.675    317.543  719.960    442.518  35.477  8.3947  32.608  10.776  2.869106       13.66032  
1 1 1 -20 42  23 o 38.899  9.7733  1027.52    411.249  1027.52    411.249  0.0000     0.0000   38.899  9.7733  ?       ?       0.000000       9.773287  
1 1 1 -20 42  24 o 24.716  9.9066  338.808    403.392  338.808    403.392  0.0000     0.0000   24.716  9.9066  ?       ?       0.000000       9.906627  
1 1 1 -20 42  25 o 76.769  6.1343  3543.94    505.801  3543.94    505.801  0.0000     0.0000   76.769  6.1343  ?       ?       0.000000       6.134278  
1 1 1 -20 42  26 o 20.225  8.9883  72.213     394.655  72.213     394.655  0.0000     0.0000   20.225  8.9883  ?       ?       0.000000       8.988318  
1 1 1 -20 42  27 o 26.545  10.435  513.226    439.261  513.226    439.261  0.0000     0.0000   26.545  10.435  ?       ?       0.000000       10.43464  
1 1 1 -20 43  1  o 37.198  1.9935  752.634    80.023   861.023    394.646  747.987    81.721   38.474  9.5218  37.079  2.0428  1.395535       9.738500  
1 1 1 -20 43  2  o 86.114  2.7231  4027.26    253.987  4143.61    288.703  3628.85    534.225  87.317  3.0527  81.060  6.1301  6.257454       6.848159  
1 1 1 -20 43  3  o 77.046  2.8918  3225.00    241.316  3230.15    264.698  3199.64    587.232  77.083  3.1705  75.785  7.2423  1.298134       7.905869  
1 1 1 -20 43  4  o 54.895  3.1228  1643.39    184.906  1680.76    205.144  1481.52    426.934  55.479  3.4308  51.116  7.9715  4.362709       8.678405  
1 1 1 -20 43  5  o 66.696  3.0220  2417.77    218.306  2464.17    246.027  2245.97    473.402  67.218  3.3902  63.422  7.0088  3.796143       7.785655  
1 1 1 -20 43  6  o 114.593 2.7978  7134.13    347.246  6699.25    393.526  8663.69    738.024  110.980 3.2739  125.730 5.4195  -14.75055      6.331604  
1 1 1 -20 43  7  o 98.069  2.7170  5224.65    288.602  4875.37    324.866  6532.35    628.592  94.682  3.1679  109.180 5.3157  -14.49798      6.188018  
1 1 1 -20 43  8  o 66.654  2.0912  2410.55    150.970  1834.23    218.523  2936.81    208.815  57.939  3.4986  73.530  2.6220  -15.59136      4.372087  
1 1 1 -20 43  9  o 85.135  4.5386  3973.58    416.991  3744.50    604.126  4182.04    576.288  81.993  6.8659  86.908  6.1622  -4.915115      9.225665  
1 1 1 -20 43  10 o 60.854  2.3186  2010.84    152.821  1906.82    238.616  2083.17    198.985  59.016  3.7525  61.887  2.9686  -2.870617      4.784758  
1 1 1 -20 43  11 o 51.343  3.6433  1444.83    201.286  1352.73    229.279  1754.41    420.374  49.549  4.3153  55.748  7.1250  -6.198822      8.329938  
1 1 1 -20 43  12 o 99.724  3.0803  5414.82    332.701  5554.81    384.154  4994.73    665.487  100.922 3.5144  94.681  6.5293  6.240982       7.415042  
1 1 1 -20 43  13 o 28.872  5.9214  477.167    178.957  574.807    205.829  174.755    362.237  31.688  6.2191  23.434  9.3895  8.254089       11.26234  
1 1 1 -20 43  14 o 84.196  3.1650  3864.84    288.622  3780.20    335.426  4106.24    566.468  83.162  3.7239  85.797  6.1363  -2.634834      7.177888  
1 1 1 -20 43  15 o 103.502 3.1633  5844.41    354.614  5329.49    413.310  7281.00    690.351  98.658  3.8679  114.648 5.5595  -15.98995      6.772604  
1 1 1 -20 43  16 f 28.131  1.7745  431.358    53.788   549.161    249.911  425.636    55.079   30.548  7.5875  27.937  1.8304  2.610670       7.805188  
1 1 1 -20 43  17 o 82.848  3.4049  3756.00    305.533  3373.02    362.743  4691.11    566.818  78.157  4.3016  91.553  5.7452  -13.39548      7.177178  
1 1 1 -20 43  18 o 72.444  2.8237  2864.97    221.561  2542.71    343.193  3095.27    290.119  67.615  4.7158  75.121  3.5657  -7.506821      5.912096  
1 1 1 -20 43  19 o 23.074  7.5645  299.487    218.202  257.340    256.487  409.905    415.150  22.515  8.1620  27.910  10.340  -5.394665      13.17344  
1 1 1 -20 43  20 o 72.100  3.8727  2876.98    301.319  2774.42    359.464  3119.35    552.581  70.425  4.7402  73.330  7.0440  -2.904930      8.490456  
1 1 1 -20 43  21 o 51.509  5.0146  1506.73    276.214  1533.27    337.461  1452.84    480.792  51.361  6.1911  47.807  9.6184  3.553257       11.43867  
1 1 1 -20 43  22 f 27.033  8.1996  460.793    261.002  694.893    329.766  68.233     427.030  32.622  9.0273  21.789  9.5283  10.83261       13.12556  
1 1 1 -20 43  23 o 19.819  8.8264  -2.8337    382.615  -2.8337    382.615  0.0000     0.0000   19.819  8.8264  ?       ?       0.000000       8.826447  
1 1 1 -20 43  24 o 31.356  10.175  697.275    395.190  697.275    395.190  0.0000     0.0000   31.356  10.175  ?       ?       0.000000       10.17531  
1 1 1 -20 43  25 o 38.078  10.428  1068.39    442.736  1068.39    442.736  0.0000     0.0000   38.078  10.428  ?       ?       0.000000       10.42830  
1 1 1 -20 43  26 o 28.425  10.376  604.120    415.589  604.120    415.589  0.0000     0.0000   28.425  10.376  ?       ?       0.000000       10.37647  
1 1 1 -20 43  27 o 22.760  9.6634  267.679    414.713  267.679    414.713  0.0000     0.0000   22.760  9.6634  ?       ?       0.000000       9.663384  
1 1 1 -20 44  1  o 110.650 4.5175  6684.35    541.398  6677.59    750.256  6691.69    782.039  109.996 6.3240  110.024 6.5929  -0.2759552E-01 9.135606  
1 1 1 -20 44  2  f 33.797  3.3298  627.255    120.307  565.138    124.868  1431.20    449.218  32.013  3.6674  50.033  8.5995  -18.02004      9.348837  
1 1 1 -20 44  3  o 69.305  2.9101  2609.97    218.447  2650.21    237.790  2392.39    552.939  69.818  3.1445  65.191  7.9989  4.627007       8.594761  
1 1 1 -20 44  4  o ?       ?       -175.6194  23.431   162.733    138.400  -185.6037  23.774   17.825  6.0290  ?       ?       0.000000       6.028982  
1 1 1 -20 44  5  f 36.250  4.1612  725.899    160.420  748.658    177.473  624.256    375.059  36.751  4.5562  33.013  9.7881  3.737904       10.79659  
1 1 1 -20 44  6  o 42.513  3.7651  992.196    171.574  985.048    190.539  1022.83    394.484  42.286  4.2165  42.014  8.9433  0.2717552      9.887429  
1 1 1 -20 44  7  o 84.580  2.8489  3887.74    260.985  3948.28    293.192  3656.70    572.748  85.199  3.1772  81.165  6.5716  4.034515       7.299340  
1 1 1 -20 44  8  o 128.653 3.0485  9001.42    424.795  9064.88    485.132  8792.83    879.516  129.025 3.4715  126.075 6.4626  2.950562       7.335971  
1 1 1 -20 44  9  o 131.768 4.5607  9496.91    650.901  9969.20    915.913  9015.01    925.183  134.405 6.2917  127.477 6.7246  6.927895       9.209011  
1 1 1 -20 44  10 o 24.893  5.6923  354.458    150.135  297.191    165.536  619.980    356.444  22.862  6.4207  32.695  9.5002  -9.832722      11.46645  
1 1 1 -20 44  11 o 40.229  4.2034  894.329    180.449  771.540    204.039  1335.14    386.597  37.120  5.2192  48.347  7.6363  -11.22747      9.249440  
1 1 1 -20 44  12 o 131.721 3.1722  9451.44    452.562  9304.35    522.192  9895.29    907.115  130.556 3.6929  133.647 6.2666  -3.091293      7.273760  
1 1 1 -20 44  13 o 92.371  3.0876  4648.56    308.908  4456.63    356.919  5221.50    616.662  90.337  3.6478  96.965  5.8997  -6.628036      6.936366  
1 1 1 -20 44  14 o 43.902  4.6884  1071.14    219.489  982.474    262.088  1279.37    401.631  41.689  5.9752  46.930  8.1999  -5.240669      10.14598  
1 1 1 -20 44  15 o 84.390  3.2728  3888.29    299.146  4052.52    350.638  3449.04    573.439  86.041  3.7625  78.152  6.8434  7.888794       7.809548  
1 1 1 -20 44  16 o 107.702 3.2312  6337.14    376.926  6488.58    442.365  5935.85    720.109  108.815 3.7534  102.692 6.5079  6.123482       7.512717  
1 1 1 -20 44  17 o 58.298  4.0393  1877.14    253.479  1983.04    307.928  1654.52    446.435  59.692  4.8035  53.227  7.9906  6.464920       9.323262  
1 1 1 -20 44  18 o 20.814  7.2703  226.417    201.738  387.029    246.354  -100.5360  351.491  25.804  7.9922  18.811  8.4128  6.992363       11.60389  
1 1 1 -20 44  19 o 23.460  7.5788  313.509    219.415  175.878    265.574  609.492    389.458  20.843  8.1367  31.655  10.084  -10.81139      12.95702  
1 1 1 -20 44  20 o 15.076  6.6749  -47.4147   215.679  -173.6029  254.963  270.075    404.421  14.727  6.8061  25.012  9.9548  -10.28563      12.05905  
1 1 1 -20 44  21 o 47.300  5.4045  1285.12    271.910  1260.84    332.691  1333.96    471.897  46.064  6.8790  45.409  9.8761  0.6554108      12.03566  
1 1 1 -20 44  22 o 32.396  8.3356  673.952    294.177  564.374    393.382  812.978    443.101  29.269  10.156  34.149  10.742  -4.879730      14.78316  
1 1 1 -20 44  23 o 47.620  8.2712  1443.53    411.124  1443.53    411.124  0.0000     0.0000   47.620  8.2712  ?       ?       0.000000       8.271173  
1 1 1 -20 44  24 o 44.532  9.4814  1348.33    443.290  1348.33    443.290  0.0000     0.0000   44.532  9.4814  ?       ?       0.000000       9.481355  
1 1 1 -20 44  25 o 29.754  10.406  651.713    413.304  651.713    413.304  0.0000     0.0000   29.754  10.406  ?       ?       0.000000       10.40553  
1 1 1 -20 44  26 o 21.740  9.4947  170.572    422.843  170.572    422.843  0.0000     0.0000   21.740  9.4947  ?       ?       0.000000       9.494685  
1 1 1 -20 44  27 o 19.107  8.8053  -60.9028   422.271  -60.9028   422.271  0.0000     0.0000   19.107  8.8053  ?       ?       0.000000       8.805252  
1 1 1 -20 45  1  o 40.631  2.1194  898.136    92.948   899.079    94.941   876.390    455.996  40.649  2.1642  38.701  10.577  1.947620       10.79602  
1 1 1 -20 45  2  o 20.199  1.5740  222.519    34.164   222.203    34.270   273.476    434.634  20.184  1.5802  26.830  10.427  -6.645691      10.54612  
1 1 1 -20 45  3  o 42.302  1.6091  970.114    73.726   959.808    74.664   1372.61    466.608  42.076  1.6384  48.783  9.1677  -6.707218      9.312904  
1 1 1 -20 45  4  o 64.874  2.9356  2287.39    206.272  2161.69    230.155  2800.47    465.007  62.939  3.3887  71.114  6.0961  -8.174919      6.974629  
1 1 1 -20 45  5  o 108.165 2.9424  6359.15    344.714  6414.47    392.704  6173.39    719.600  108.578 3.3393  105.703 6.3143  2.875015       7.142919  
1 1 1 -20 45  6  o 71.172  2.9436  2753.50    226.915  2751.60    255.426  2760.59    494.245  71.112  3.3163  70.459  6.5515  0.6530457      7.343019  
1 1 1 -20 45  7  o 70.833  3.0664  2728.67    235.254  2842.36    267.189  2336.53    496.225  72.257  3.4140  64.559  7.2203  7.698669       7.986739  
1 1 1 -20 45  8  o 45.805  4.5778  1158.53    224.068  1157.31    269.086  1161.30    404.657  45.572  5.5674  44.831  8.6471  0.7411461      10.28436  
1 1 1 -20 45  9  o 47.716  2.4065  1239.69    123.970  1275.34    392.855  1235.75    130.645  47.195  7.9691  47.625  2.5419  -0.4293327     8.364723  
1 1 1 -20 45  10 o 39.023  4.0467  840.617    168.551  852.367    187.542  791.253    384.393  39.212  4.4971  36.661  9.5759  2.551891       10.57934  
1 1 1 -20 45  11 o 62.192  3.3038  2113.43    221.751  2146.05    253.026  2005.38    460.457  62.593  3.7495  59.561  7.2898  3.031178       8.197562  
1 1 1 -20 45  12 o 49.853  2.0405  1349.33    110.179  1089.34    235.174  1422.45    124.712  44.250  4.9943  51.172  2.2501  -6.922512      5.477750  
1 1 1 -20 45  13 o 33.929  1.6575  624.543    60.912   538.133    207.892  632.658    63.708   30.559  6.4818  34.102  1.7305  -3.543039      6.708850  
1 1 1 -20 45  14 o 45.198  1.7568  1108.76    86.002   698.157    229.468  1175.86    92.763   34.918  6.2991  46.540  1.8402  -11.62228      6.562434  
1 1 1 -20 45  15 o 70.435  3.5451  2720.11    269.587  2566.50    319.284  3101.61    503.153  68.201  4.3450  74.271  6.3147  -6.069931      7.665128  
1 1 1 -20 45  16 o 148.278 3.4916  12032.40   560.755  12232.19   656.498  11493.36   1078.35  149.230 4.0617  142.708 6.9766  6.521729       8.072809  
1 1 1 -20 45  17 o 60.532  2.4686  1995.94    161.846  1747.26    289.056  2109.50    195.336  55.987  4.8135  62.161  2.9013  -6.173420      5.620309  
1 1 1 -20 45  18 o 67.941  3.6822  2542.03    269.950  2506.99    323.082  2623.07    491.335  67.209  4.4636  67.707  6.7916  -0.4972610     8.127076  
1 1 1 -20 45  19 o 25.357  7.1216  380.139    203.648  496.731    247.548  136.018    358.201  28.775  7.7636  22.154  9.1624  6.620787       12.00924  
1 1 1 -20 45  20 o 82.813  3.6564  3784.02    327.962  3753.57    389.720  3857.92    607.103  82.030  4.4025  81.436  6.9495  0.5939331      8.226589  
1 1 1 -20 45  21 o 67.414  4.1993  2547.69    305.094  2648.54    368.753  2328.84    543.201  68.247  5.0239  61.479  8.3756  6.768303       9.766780  
1 1 1 -20 45  22 o 23.823  8.5201  336.406    278.390  -18.0872   364.584  832.133    431.136  19.332  8.6123  34.554  10.551  -15.22236      13.61996  
1 1 1 -20 45  23 o 22.130  9.3862  168.874    390.605  168.874    390.605  0.0000     0.0000   22.130  9.3862  ?       ?       0.000000       9.386238  
1 1 1 -20 45  24 o 21.040  9.1188  116.183    383.817  116.183    383.817  0.0000     0.0000   21.040  9.1188  ?       ?       0.000000       9.118819  
1 1 1 -20 45  25 f 48.620  2.7162  1311.81    142.463  1311.81    142.463  0.0000     0.0000   48.620  2.7162  ?       ?       0.000000       2.716166  
1 1 1 -20 45  26 o 43.682  9.6134  1367.54    442.500  1367.54    442.500  0.0000     0.0000   43.682  9.6134  ?       ?       0.000000       9.613435  
1 1 1 -20 46  1  o 125.211 4.6015  8566.69    624.046  8392.12    869.259  8752.35    896.437  123.208 6.5373  125.806 6.6019  -2.598251      9.290884  
1 1 1 -20 46  2  o 174.117 5.2188  16607.13   984.196  16491.31   1381.07  16726.64   1402.91  172.525 7.3909  173.717 7.4562  -1.191772      10.49856  
1 1 1 -20 46  3  f 166.694 3.3771  15120.72   609.720  14661.58   694.946  16655.80   1270.71  164.009 3.9121  173.703 6.7541  -9.694000      7.805317  
1 1 1 -20 46  4  o 41.137  3.5459  928.077    156.444  945.738    171.431  840.108    382.598  41.481  3.8599  37.953  9.3648  3.528412       10.12913  
1 1 1 -20 46  5  o 103.649 2.9740  5840.41    333.866  6206.64    380.520  4615.57    695.890  106.803 3.2894  91.061  7.1121  15.74268       7.835987  
1 1 1 -20 46  6  o 163.461 3.4578  14547.93   612.185  14553.10   703.119  14531.71   1244.62  163.349 3.9741  161.982 7.0941  1.367477       8.131448  
1 1 1 -20 46  7  o 52.714  3.4456  1519.55    195.643  1559.95    220.246  1368.41    425.981  53.352  3.8371  48.856  8.3501  4.495529       9.189495  
1 1 1 -20 46  8  o 93.822  2.9892  4787.98    303.761  4640.35    347.497  5266.22    625.438  92.293  3.4763  97.595  5.9451  -5.302124      6.886890  
1 1 1 -20 46  9  o 62.250  3.9178  2123.59    262.805  2098.57    318.956  2176.50    463.785  61.697  4.8111  62.239  7.0015  -0.5424957     8.495142  
1 1 1 -20 46  10 o 60.951  3.3159  2029.93    218.081  2077.14    248.011  1869.00    457.931  61.584  3.7358  57.407  7.5478  4.176968       8.421712  
1 1 1 -20 46  11 o ?       ?       -175.1064  22.822   123.674    186.505  -179.6483  22.995   17.889  6.8632  ?       ?       0.000000       6.863219  
1 1 1 -20 46  12 o 76.300  3.2060  3172.89    264.950  2930.43    306.791  3884.35    525.535  73.117  3.8879  83.618  5.8394  -10.50112      7.015275  
1 1 1 -20 46  13 f 18.058  6.6060  149.659    168.565  135.375    192.370  196.895    349.829  18.318  6.9839  23.479  9.2857  -5.161741      11.61894  
1 1 1 -20 46  14 o 38.281  1.9097  795.748    79.182   787.817    227.012  796.847    84.488   37.269  5.8136  38.246  2.0470  -0.9769936     6.163484  
1 1 1 -20 46  15 o 41.087  4.8782  944.211    212.850  1049.62    252.940  688.484    393.982  43.162  5.5384  33.886  10.029  9.275925       11.45626  
1 1 1 -20 46  16 o 86.893  3.4299  4131.92    322.808  3806.24    383.442  4924.45    598.148  83.055  4.2770  93.733  5.9222  -10.67753      7.305188  
1 1 1 -20 46  17 o 90.289  3.0731  4455.83    300.525  4147.97    398.179  4863.33    458.106  86.755  4.2375  93.831  4.5076  -7.076439      6.186710  
1 1 1 -20 46  18 o 30.134  7.0527  536.634    226.113  579.362    284.713  463.655    372.093  31.041  8.3055  28.556  9.8795  2.485077       12.90679  
1 1 1 -20 46  19 o 49.575  4.5429  1375.29    241.217  1415.02    293.172  1292.03    424.409  49.920  5.5142  46.095  8.8222  3.825424       10.40374  
1 1 1 -20 46  20 o 24.002  7.6117  340.246    222.110  263.628    267.887  508.755    397.280  22.532  8.3145  29.021  10.199  -6.489510      13.15858  
1 1 1 -20 46  21 o 17.795  2.2969  175.994    43.237   479.701    303.514  169.703    43.683   27.593  8.9136  17.454  2.3721  10.13867       9.223807  
1 1 1 -20 46  22 o 24.251  9.6908  300.801    384.719  300.801    384.719  0.0000     0.0000   24.251  9.6908  ?       ?       0.000000       9.690792  
1 1 1 -20 46  23 o 29.540  10.302  599.570    404.989  599.570    404.989  0.0000     0.0000   29.540  10.302  ?       ?       0.000000       10.30204  
1 1 1 -20 46  24 o 22.419  9.4143  216.910    386.684  216.910    386.684  0.0000     0.0000   22.419  9.4143  ?       ?       0.000000       9.414311  
1 1 1 -20 46  25 o 35.874  10.359  961.293    424.960  961.293    424.960  0.0000     0.0000   35.874  10.359  ?       ?       0.000000       10.35854  
1 1 1 -20 46  26 o 33.082  2.1530  603.928    76.724   603.928    76.724   0.0000     0.0000   33.082  2.1530  ?       ?       0.000000       2.153012  
1 1 1 -20 47  1  o 46.219  6.5255  1200.31    317.580  1197.71    426.744  1203.53    475.445  45.503  8.9777  45.351  9.9525  0.1516800      13.40342  
1 1 1 -20 47  2  o 117.842 4.6100  7590.31    588.394  8198.01    818.025  6938.85    846.958  121.859 6.2185  111.785 7.0312  10.07417       9.386539  
1 1 1 -20 47  3  o 44.133  3.2579  1065.40    154.627  1053.85    163.269  1165.84    481.669  43.863  3.4648  44.564  10.200  -0.7006836     10.77207  
1 1 1 -20 47  4  o 62.340  2.9649  2112.85    200.194  2176.22    222.577  1844.45    458.053  63.158  3.2649  57.172  7.5843  5.986202       8.257155  
1 1 1 -20 47  5  o 46.938  3.3987  1205.59    171.618  1278.93    189.217  865.455    407.502  48.316  3.6426  38.425  9.7697  9.890671       10.42667  
1 1 1 -20 47  6  o 17.109  6.0764  140.045    141.363  84.224     154.991  416.269    344.775  15.864  6.2095  28.002  9.5156  -12.13856      11.36240  
1 1 1 -20 47  7  o 55.168  3.3544  1663.31    199.484  1695.68    224.691  1542.84    433.475  55.642  3.7502  52.041  7.9420  3.601330       8.782934  
1 1 1 -20 47  8  o 42.727  4.0934  1006.09    187.114  908.736    211.650  1354.50    400.379  40.421  4.9369  48.683  7.8611  -8.261501      9.282750  
1 1 1 -20 47  9  o 94.704  3.5279  4889.85    361.874  5218.83    441.047  4212.15    633.018  97.709  4.1675  86.874  6.7813  10.83512       7.959513  
1 1 1 -20 47  10 o 53.195  2.3775  1537.35    136.982  1696.75    237.788  1458.18    167.582  55.589  3.9757  51.672  3.0073  3.916489       4.984979  
1 1 1 -20 47  11 o 116.422 3.1675  7384.43    399.412  7771.29    463.620  6270.71    786.637  119.331 3.5870  105.900 6.8958  13.43179       7.772956  
1 1 1 -20 47  12 o 39.512  4.8828  870.852    204.513  1045.02    240.589  417.196    388.290  43.246  5.2436  28.343  10.070  14.90296       11.35354  
1 1 1 -20 47  13 o 65.215  3.4658  2329.06    243.927  2445.36    283.477  1997.31    478.778  66.721  3.9402  59.093  7.6607  7.627972       8.614598  
1 1 1 -20 47  14 o 96.601  3.2038  5093.60    335.208  5297.07    392.928  4549.59    642.480  98.386  3.6873  89.919  6.6439  8.466995       7.598554  
1 1 1 -20 47  15 o 71.841  2.7116  2812.22    210.991  2625.00    310.558  2972.72    287.541  68.999  4.1752  73.690  3.6026  -4.691162      5.514649  
1 1 1 -20 47  16 o 51.273  4.2205  1456.41    232.299  1482.27    276.085  1393.70    429.859  51.496  5.0135  48.568  8.4801  2.927841       9.851274  
1 1 1 -20 47  17 o 54.244  4.3404  1633.22    252.871  1708.41    309.031  1480.85    439.905  55.188  5.2325  50.005  8.4215  5.183437       9.914635  
1 1 1 -20 47  18 o 59.009  3.9224  1925.64    249.264  1926.08    296.103  1924.59    461.800  58.756  4.6920  57.408  7.6149  1.347408       8.944344  
1 1 1 -20 47  19 o 54.226  4.2693  1639.12    248.721  1459.74    300.925  2025.85    441.855  50.644  5.5786  58.961  7.0593  -8.317436      8.997480  
1 1 1 -20 47  20 o 6.4929  2.4393  17.026     23.261   -99.4361   263.125  17.943     23.353   15.838  7.1640  6.5702  2.4488  9.268225       7.571002  
1 1 1 -20 47  21 o 30.243  7.4609  569.682    242.880  521.924    356.999  610.835    331.397  28.485  9.6828  30.578  9.2316  -2.092598      13.37824  
1 1 1 -20 47  22 o 19.493  8.6989  -18.3621   373.661  -18.3621   373.661  0.0000     0.0000   19.493  8.6989  ?       ?       0.000000       8.698863  
1 1 1 -20 47  23 o 46.286  2.6017  1183.06    129.901  1183.06    129.901  0.0000     0.0000   46.286  2.6017  ?       ?       0.000000       2.601673  
1 1 1 -20 47  24 o 56.776  7.8630  2059.71    470.550  2059.71    470.550  0.0000     0.0000   56.776  7.8630  ?       ?       0.000000       7.862969  
1 1 1 -20 47  25 o 35.107  10.355  925.084    420.691  925.084    420.691  0.0000     0.0000   35.107  10.355  ?       ?       0.000000       10.35545  
1 1 1 -20 47  26 o 53.816  8.0458  1910.18    454.583  1910.18    454.583  0.0000     0.0000   53.816  8.0458  ?       ?       0.000000       8.045814  
1 1 1 -20 48  1  o 168.025 5.1209  15473.60   931.944  15314.33   1309.39  15637.12   1326.71  166.154 7.2759  167.885 7.2962  -1.730865      10.30405  
1 1 1 -20 48  2  o 127.337 4.6606  8868.29    642.784  9348.95    896.137  8358.92    922.503  130.193 6.3550  122.698 6.9704  7.495476       9.432527  
1 1 1 -20 48  3  o 177.019 3.3273  17056.20   637.942  16355.81   727.133  19397.30   1329.40  173.190 3.8763  187.421 6.5489  -14.23062      7.610101  
1 1 1 -20 48  4  o 34.477  3.9115  656.446    143.480  659.578    152.723  632.894    418.785  34.515  4.1698  33.349  10.435  1.166283       11.23761  
1 1 1 -20 48  5  f 24.530  5.3500  342.825    138.141  395.691    149.897  44.899     355.843  26.378  5.4276  21.333  8.9984  5.045416       10.50858  
1 1 1 -20 48  6  o 25.138  5.4023  360.072    142.709  343.207    155.738  448.405    356.417  24.484  5.9346  28.818  9.6755  -4.333763      11.35051  
1 1 1 -20 48  7  o 62.846  2.4364  2145.45    165.846  2207.60    243.602  2091.76    226.423  63.544  3.5537  61.875  3.3915  1.668446       4.912327  
1 1 1 -20 48  8  o 125.644 3.1402  8594.14    427.332  8688.63    490.486  8296.45    870.588  126.232 3.5875  122.193 6.6026  4.038879       7.514227  
1 1 1 -20 48  9  o 154.947 4.0861  13122.14   685.744  13556.19   801.330  11934.70   1325.42  157.254 4.7048  145.385 8.4536  11.86893       9.674597  
1 1 1 -20 48  10 o 62.152  3.4423  2112.73    230.822  2166.41    265.560  1946.85    466.795  62.848  3.9208  58.565  7.5337  4.283775       8.492893  
1 1 1 -20 48  11 o 96.387  3.1589  5062.32    329.780  5056.62    383.496  5078.50    646.109  96.228  3.6795  95.489  6.2822  0.7384567      7.280447  
1 1 1 -20 48  12 o 62.247  3.5667  2122.98    239.461  1923.57    278.756  2684.47    467.769  59.061  4.3890  69.224  6.3081  -10.16319      7.684734  
1 1 1 -20 48  13 o 127.599 3.3294  8888.18    460.127  9046.43    537.172  8452.15    891.670  128.554 3.8580  122.759 6.7320  5.794838       7.759080  
1 1 1 -20 48  14 o 93.536  3.2891  4778.83    333.214  4744.84    392.224  4867.01    631.675  93.044  3.8920  93.149  6.2980  -0.1048431     7.403590  
1 1 1 -20 48  15 o 72.909  3.6966  2919.84    290.963  2905.00    351.597  2952.09    518.282  72.479  4.5011  72.173  6.7068  0.3057556      8.077205  
1 1 1 -20 48  16 o 22.414  7.1569  282.395    196.105  283.679    232.664  279.246    364.425  22.905  7.8167  24.958  9.5894  -2.053192      12.37164  
1 1 1 -20 48  17 o 42.010  5.3393  997.523    237.454  815.062    291.941  1354.18    408.166  37.166  7.5107  47.877  8.1640  -10.71112      11.09328  
1 1 1 -20 48  18 o 48.937  4.5609  1338.61    238.962  1323.08    288.493  1372.56    426.512  48.266  5.6239  47.814  8.5497  0.4526062      10.23355  
1 1 1 -20 48  19 o 8.5909  2.8311  38.605     30.549   351.092    243.778  33.619     30.792   24.544  7.9931  8.2325  2.8424  16.31110       8.483414  
1 1 1 -20 48  20 o 22.212  7.4951  283.939    213.892  200.251    262.367  449.783    369.338  20.898  8.1070  27.402  9.8122  -6.504078      12.72798  
1 1 1 -20 48  21 o 36.243  7.1124  805.262    269.228  971.735    332.746  489.684    458.136  39.274  8.0915  28.186  10.770  11.08892       13.47110  
1 1 1 -20 48  22 o 21.515  9.0228  161.783    354.416  161.783    354.416  0.0000     0.0000   21.515  9.0228  ?       ?       0.000000       9.022758  
1 1 1 -20 48  23 o 52.043  8.0363  1721.90    438.405  1721.90    438.405  0.0000     0.0000   52.043  8.0363  ?       ?       0.000000       8.036339  
1 1 1 -20 48  24 o 21.015  9.0680  135.523    376.212  135.523    376.212  0.0000     0.0000   21.015  9.0680  ?       ?       0.000000       9.068003  
1 1 1 -20 48  25 o 33.229  10.388  837.453    415.127  837.453    415.127  0.0000     0.0000   33.229  10.388  ?       ?       0.000000       10.38835  
1 1 1 -20 48  26 o 22.369  9.5164  236.508    403.627  236.508    403.627  0.0000     0.0000   22.369  9.5164  ?       ?       0.000000       9.516400  
1 1 1 -20 49  1  o 96.002  4.5575  5040.81    473.885  5103.84    654.940  4971.56    686.524  95.963  6.3369  94.563  6.7472  1.400452       9.256411  
1 1 1 -20 49  2  o 73.295  4.9233  2955.68    388.571  2894.52    528.963  3027.37    572.682  71.999  6.8663  73.509  7.2889  -1.510330      10.01374  
1 1 1 -20 49  3  o 98.675  3.1696  5298.34    338.752  5209.96    392.943  5554.10    668.476  97.762  3.7110  100.175 6.1914  -2.413246      7.218376  
1 1 1 -20 49  4  o 102.756 2.8351  5740.42    315.533  5509.27    353.612  6643.61    698.990  100.605 3.2452  109.684 5.9055  -9.079147      6.738434  
1 1 1 -20 49  5  o 110.784 2.8706  6673.71    344.439  6751.08    399.898  6451.38    677.940  111.348 3.3159  108.092 5.8120  3.255531       6.691345  
1 1 1 -20 49  6  o 88.789  2.9124  4287.89    280.077  4269.80    317.244  4351.81    596.329  88.545  3.3079  88.548  6.2581  -0.2670288E-02 7.078582  
1 1 1 -20 49  7  o 117.050 3.0846  7457.12    391.053  7888.06    447.641  6068.57    803.525  120.312 3.4352  104.223 7.1616  16.08894       7.942826  
1 1 1 -20 49  8  o 117.364 3.0826  7498.26    391.854  7509.14    449.027  7463.49    802.482  117.354 3.5327  115.932 6.4159  1.422081       7.324150  
1 1 1 -20 49  9  o 68.631  4.9452  2599.20    365.136  1954.86    533.546  3166.81    500.771  58.273  8.7216  75.414  6.1852  -17.14105      10.69221  
1 1 1 -20 49  10 o 86.327  3.0604  4058.62    286.153  4045.29    328.351  4100.71    583.480  86.107  3.5207  85.774  6.3252  0.3330841      7.239029  
1 1 1 -20 49  11 f 104.504 3.1093  5951.32    351.942  5916.90    405.876  6055.62    706.563  104.091 3.6001  104.244 6.2873  -0.1533737     7.245057  
1 1 1 -20 49  12 o 122.934 3.2323  8243.87    430.383  8673.58    500.214  7019.04    844.512  125.967 3.6663  111.752 7.0127  14.21503       7.913304  
1 1 1 -20 49  13 f 182.245 3.7806  18181.52   746.253  17827.55   864.721  19214.38   1477.12  180.101 4.4329  184.582 7.3885  -4.481308      8.616326  
1 1 1 -20 49  14 o 82.790  3.4461  3747.92    309.008  3921.59    368.168  3333.98    568.398  84.540  4.0208  76.703  6.9162  7.836960       8.000067  
1 1 1 -20 49  15 o 90.280  3.4253  4460.28    334.938  4488.01    400.407  4395.66    611.230  90.360  4.0912  88.262  6.4382  2.098183       7.628147  
1 1 1 -20 49  16 o 78.163  2.9789  3337.03    252.193  3622.33    367.581  3083.30    346.647  80.991  4.2048  74.671  4.3044  6.320679       6.017298  
1 1 1 -20 49  17 o 52.498  4.7674  1539.47    268.123  1784.23    342.124  1149.82    431.663  56.196  5.6998  43.402  9.4505  12.79390       11.03627  
1 1 1 -20 49  18 o 28.557  1.8201  445.169    56.001   582.252    297.904  440.147    57.018   30.921  8.5885  28.389  1.8647  2.531982       8.788637  
1 1 1 -20 49  19 o 40.115  5.8797  931.690    247.883  1009.28    313.098  801.365    405.768  41.113  7.2986  35.292  10.102  5.820732       12.46288  
1 1 1 -20 49  20 o 80.473  3.7296  3595.89    325.072  4215.04    400.681  2403.56    556.028  86.799  4.2620  62.345  8.4522  24.45372       9.465955  
1 1 1 -20 49  21 o 21.818  9.1787  156.641    368.677  156.641    368.677  0.0000     0.0000   21.818  9.1787  ?       ?       0.000000       9.178720  
1 1 1 -20 49  22 o 17.081  8.0180  -251.8077  376.390  -251.8077  376.390  0.0000     0.0000   17.081  8.0180  ?       ?       0.000000       8.018021  
1 1 1 -20 49  23 o 20.112  8.7141  88.069     350.316  88.069     350.316  0.0000     0.0000   20.112  8.7141  ?       ?       0.000000       8.714128  
1 1 1 -20 49  24 o 18.273  8.3505  -77.0956   369.089  -77.0956   369.089  0.0000     0.0000   18.273  8.3505  ?       ?       0.000000       8.350504  
1 1 1 -20 49  25 o 24.420  10.102  352.606    435.548  352.606    435.548  0.0000     0.0000   24.420  10.102  ?       ?       0.000000       10.10175  
1 1 1 -20 50  1  f 64.765  5.1747  2316.23    359.960  2497.02    490.423  2105.07    529.998  66.785  6.8783  60.815  8.2600  5.970543       10.74889  
1 1 1 -20 50  2  o 88.749  4.6420  4322.84    444.658  4339.37    610.442  4304.15    649.012  88.388  6.4203  87.868  6.8743  0.5207596      9.406185  
1 1 1 -20 50  3  o 62.531  5.2435  2161.26    351.851  1888.82    468.644  2513.22    532.666  57.746  7.6837  66.805  7.4907  -9.059189      10.73076  
1 1 1 -20 50  4  o 76.032  2.9027  3144.05    239.035  3149.26    261.328  3117.36    591.459  76.063  3.1721  74.492  7.4298  1.571190       8.078650  
1 1 1 -20 50  5  o 43.138  3.4829  1020.59    161.345  1034.02    176.752  953.464    395.134  43.371  3.8010  40.324  9.2445  3.047482       9.995443  
1 1 1 -20 50  6  o 32.832  1.3554  584.316    48.198   380.600    159.167  604.882    50.573   25.782  5.8359  33.403  1.3978  -7.621716      6.000987  
1 1 1 -20 50  7  f 37.312  4.2626  770.954    169.171  794.087    188.124  673.186    386.741  37.787  4.6980  33.962  9.9036  3.824856       10.96144  
1 1 1 -20 50  8  o 149.985 3.3616  12260.11   546.095  12380.91   627.574  11883.42   1108.25  150.574 3.8481  146.126 7.0022  4.447861       7.989944  
1 1 1 -20 50  9  o 138.104 3.7816  10416.17   565.658  10626.55   690.024  9985.10    987.705  139.221 4.5760  133.788 6.8390  5.432617       8.228751  
1 1 1 -20 50  10 o 37.646  4.5989  788.724    183.618  913.934    208.069  347.938    390.393  40.510  4.8379  27.061  10.027  13.44865       11.13309  
1 1 1 -20 50  11 o 97.349  2.8777  5160.75    303.422  5566.02    373.447  4373.55    520.474  100.986 3.4143  88.833  5.4356  12.15259       6.418969  
1 1 1 -20 50  12 f 37.179  1.8026  750.346    72.588   694.989    229.299  756.512    76.523   34.832  6.3103  37.279  1.9015  -2.447201      6.590609  
1 1 1 -20 50  13 o 61.420  2.5799  2053.63    171.627  1963.00    299.858  2097.79    209.301  59.521  4.6893  61.924  3.1308  -2.403259      5.638380  
1 1 1 -20 50  14 o 15.754  6.7564  0.7409     206.438  -76.3077   256.857  141.312    346.942  16.284  7.2434  22.302  9.0972  -6.018362      11.62864  
1 1 1 -20 50  15 o 20.327  7.3079  204.574    205.063  260.694    249.969  89.084     358.591  22.604  8.0746  21.668  9.0807  0.9359951      12.15150  
1 1 1 -20 50  16 o 56.282  4.3497  1757.17    263.096  1823.83    325.501  1631.57    446.834  57.013  5.3332  52.734  8.0808  4.279198       9.682074  
1 1 1 -20 50  17 o 50.644  4.9099  1437.72    265.936  1626.26    338.099  1131.81    430.659  53.490  5.9359  42.944  9.5098  10.54579       11.21031  
1 1 1 -20 50  18 o 51.373  2.5243  1440.82    140.458  1583.61    340.488  1411.53    154.188  52.550  6.0954  50.722  2.8177  1.827263       6.715188  
1 1 1 -20 50  19 o 43.310  5.5018  1078.27    252.260  1051.59    316.204  1124.97    418.373  41.927  7.2239  42.104  9.4109  -0.1769905     11.86377  
1 1 1 -20 50  20 o 55.454  5.1634  1763.68    306.566  1887.01    412.368  1611.30    458.373  56.182  6.9232  50.562  8.6828  5.620041       11.10506  
1 1 1 -20 50  21 o 18.947  8.6041  -92.6691   384.043  -92.6691   384.043  0.0000     0.0000   18.947  8.6041  ?       ?       0.000000       8.604051  
1 1 1 -20 50  22 o 22.316  9.4873  170.525    400.676  170.525    400.676  0.0000     0.0000   22.316  9.4873  ?       ?       0.000000       9.487320  
1 1 1 -20 50  23 o 25.260  10.266  364.565    439.778  364.565    439.778  0.0000     0.0000   25.260  10.266  ?       ?       0.000000       10.26595  
1 1 1 -20 50  24 o 5.8981  2.6389  -14.2151   34.626   -14.2151   34.626   0.0000     0.0000   5.8981  2.6389  ?       ?       0.000000       2.638915  
1 1 1 -20 50  25 o 27.601  10.840  552.682    473.657  552.682    473.657  0.0000     0.0000   27.601  10.840  ?       ?       0.000000       10.84006  
1 1 1 -20 51  1  o 33.381  8.2134  648.594    294.929  999.983    395.172  206.760    443.120  41.346  9.0734  25.781  10.366  15.56471       13.77576  
1 1 1 -20 51  2  o 90.347  4.6598  4481.94    454.428  5221.84    626.967  3663.04    659.591  97.116  5.9897  80.698  7.6373  16.41872       9.705935  
1 1 1 -20 51  3  o 65.808  5.1363  2391.42    363.200  2687.46    486.122  2017.36    546.436  69.386  6.5459  59.293  8.7736  10.09227       10.94644  
1 1 1 -20 51  4  o 82.597  2.4110  3705.96    215.692  3365.21    272.037  4282.81    353.951  78.618  3.1947  88.612  3.6879  -9.994431      4.879237  
1 1 1 -20 51  5  o 104.154 2.8378  5900.00    320.131  6018.56    360.032  5452.29    699.628  105.141 3.1615  99.006  6.5615  6.134567       7.283443  
1 1 1 -20 51  6  o 36.605  4.1225  741.339    160.601  736.283    177.055  764.814    381.489  36.386  4.5951  36.047  9.5997  0.3390465      10.64285  
1 1 1 -20 51  7  o 30.251  1.5345  497.531    50.113   433.364    179.405  502.962    52.190   27.471  6.1792  30.412  1.5899  -2.940952      6.380516  
1 1 1 -20 51  8  o 37.313  4.5298  773.802    179.316  809.253    201.844  641.048    390.595  38.064  5.0183  33.191  10.023  4.872375       11.20872  
1 1 1 -20 51  9  o 15.607  6.6310  10.033     195.515  -27.8780   236.064  92.846     348.893  16.409  7.1316  21.769  9.0260  -5.359632      11.50337  
1 1 1 -20 51  10 o 58.244  2.3484  1843.78    148.150  1801.59    244.278  1868.33    186.330  57.252  3.9637  58.497  2.9504  -1.244961      4.941233  
1 1 1 -20 51  11 f 17.767  6.5073  144.381    163.639  177.203    184.288  22.048     355.783  19.229  6.9263  20.807  8.8951  -1.577057      11.27365  
1 1 1 -20 51  12 o 53.984  3.7776  1602.70    219.485  1620.94    253.158  1547.47    440.440  54.157  4.3526  51.649  8.1430  2.508167       9.233246  
1 1 1 -20 51  13 o 61.023  3.7296  2046.53    245.322  2015.13    288.238  2129.04    467.294  60.368  4.4395  61.071  7.2031  -0.7030830     8.461309  
1 1 1 -20 51  14 o 18.838  1.1825  193.171    24.005   -95.3425   231.666  196.302    24.135   15.088  6.7827  18.991  1.1792  -3.902661      6.884455  
1 1 1 -20 51  15 o 21.920  7.4565  258.498    211.708  390.750    261.173  5.0867     361.527  26.065  8.2527  20.513  8.8701  5.551880       12.11553  
1 1 1 -20 51  16 o 46.318  4.8793  1201.70    241.100  1439.80    296.325  735.377    414.702  50.528  5.5036  34.603  10.300  15.92500       11.67809  
1 1 1 -20 51  17 o 19.148  7.4781  143.733    224.398  181.796    286.597  83.431     360.735  21.415  8.4252  21.434  9.0516  -0.1932526E-01 12.36589  
1 1 1 -20 51  18 o 81.138  3.6922  3631.01    324.474  3603.41    395.009  3688.27    568.953  80.331  4.5587  79.958  6.6295  0.3735428      8.045643  
1 1 1 -20 51  19 o 62.629  4.2001  2195.80    283.262  2346.92    349.780  1907.83    482.833  64.291  5.0641  55.884  8.2229  8.407375       9.657166  
1 1 1 -20 51  20 o 97.920  3.9973  5358.20    423.945  5112.81    538.208  5759.36    688.153  94.447  5.2825  98.931  6.4576  -4.484238      8.342970  
1 1 1 -20 51  21 o 22.353  9.3003  191.383    372.263  191.383    372.263  0.0000     0.0000   22.353  9.3003  ?       ?       0.000000       9.300303  
1 1 1 -20 51  22 o 26.198  10.319  408.355    430.384  408.355    430.384  0.0000     0.0000   26.198  10.319  ?       ?       0.000000       10.31895  
1 1 1 -20 51  23 o 29.981  10.802  650.839    448.254  650.839    448.254  0.0000     0.0000   29.981  10.802  ?       ?       0.000000       10.80186  
1 1 1 -20 51  24 o 26.600  10.544  475.919    452.025  475.919    452.025  0.0000     0.0000   26.600  10.544  ?       ?       0.000000       10.54406  
1 1 1 -20 51  25 o 44.664  10.137  1451.01    479.127  1451.01    479.127  0.0000     0.0000   44.664  10.137  ?       ?       0.000000       10.13653  
1 1 1 -20 52  1  o 50.412  2.2938  1380.16    125.245  978.755    430.404  1417.30    130.910  40.691  9.8675  51.081  2.3662  -10.38958      10.14724  
1 1 1 -20 52  2  o 21.746  8.4285  178.760    283.400  -0.6833    376.034  414.693    431.179  21.166  9.0993  29.041  10.574  -7.874798      13.95028  
1 1 1 -20 52  3  o 60.528  5.3646  2029.62    348.047  2107.00    463.930  1930.00    526.391  61.166  7.1370  57.992  8.6447  3.174328       11.21010  
1 1 1 -20 52  4  o 30.213  1.5654  496.328    51.050   492.153    51.371   827.162    457.269  30.084  1.5821  37.416  10.728  -7.331345      10.84423  
1 1 1 -20 52  5  o 90.346  2.8734  4440.44    281.172  4660.54    317.571  3642.00    604.847  92.513  3.1693  80.653  6.9932  11.86027       7.677836  
1 1 1 -20 52  6  o 91.065  2.9432  4512.94    290.296  4827.69    329.220  3413.00    615.448  94.141  3.2288  77.883  7.3841  16.25748       8.059132  
1 1 1 -20 52  7  o 69.430  3.0859  2625.03    232.057  2614.33    262.042  2663.91    499.583  69.145  3.5105  68.915  6.7808  0.2304306      7.635659  
1 1 1 -20 52  8  o 124.594 3.1401  8457.06    423.752  8954.87    486.827  6900.71    860.793  128.114 3.5084  110.942 7.2026  17.17197       8.011600  
1 1 1 -20 52  9  o 118.551 3.6236  7675.18    465.288  7825.67    566.618  7363.61    815.310  119.479 4.3785  114.853 6.5815  4.626160       7.904889  
1 1 1 -20 52  10 o 54.261  3.6885  1616.38    215.488  1476.96    247.283  2056.38    439.292  51.692  4.4604  60.322  6.8449  -8.630222      8.169954  
1 1 1 -20 52  11 o 81.244  3.2334  3601.72    284.527  3533.43    330.365  3797.88    559.898  80.356  3.7958  82.333  6.3270  -1.977615      7.378284  
1 1 1 -20 52  12 o 101.061 3.2228  5575.61    352.762  5726.51    411.847  5159.95    683.533  102.285 3.7175  95.788  6.6292  6.496895       7.600389  
1 1 1 -20 52  13 o 47.281  4.2221  1237.86    213.941  1303.12    249.395  1056.02    416.294  48.362  4.8256  41.919  9.4007  6.442932       10.56691  
1 1 1 -20 52  14 o 18.003  7.2279  98.461     215.128  -71.7873   269.559  397.114    357.023  16.752  7.4374  27.212  9.6575  -10.46076      12.18939  
1 1 1 -20 52  15 o 24.449  1.3647  325.302    35.995   216.769    250.167  327.596    36.373   21.532  8.0170  24.535  1.3743  -3.003092      8.133977  
1 1 1 -20 52  16 o 40.295  5.5243  922.492    234.750  972.998    287.496  821.453    406.636  40.971  6.7110  36.438  10.0000 4.533806       12.04346  
1 1 1 -20 52  17 o 36.671  1.6696  730.709    66.313   499.662    289.283  743.523    68.127   28.793  8.6098  36.989  1.7005  -8.195726      8.776168  
1 1 1 -20 52  18 o 38.035  6.1570  844.094    244.973  608.992    306.135  1262.67    408.482  31.298  8.7110  45.326  8.6359  -14.02835      12.26622  
1 1 1 -20 52  19 o 23.020  7.7937  309.310    231.280  207.947    292.577  478.161    377.618  21.563  8.5033  27.921  9.9296  -6.357933      13.07302  
1 1 1 -20 52  20 o 26.902  10.273  427.911    416.646  427.911    416.646  0.0000     0.0000   26.902  10.273  ?       ?       0.000000       10.27303  
1 1 1 -20 52  21 o 54.666  7.8732  1860.42    452.721  1860.42    452.721  0.0000     0.0000   54.666  7.8732  ?       ?       0.000000       7.873190  
1 1 1 -20 52  22 o 60.577  7.7710  2299.12    498.113  2299.12    498.113  0.0000     0.0000   60.577  7.7710  ?       ?       0.000000       7.771012  
1 1 1 -20 52  23 o 20.672  9.2727  24.649     430.429  24.649     430.429  0.0000     0.0000   20.672  9.2727  ?       ?       0.000000       9.272748  
1 1 1 -20 52  24 o 25.553  10.431  410.573    456.585  410.573    456.585  0.0000     0.0000   25.553  10.431  ?       ?       0.000000       10.43114  
1 1 1 -20 52  25 o 22.468  9.8434  181.514    457.647  181.514    457.647  0.0000     0.0000   22.468  9.8434  ?       ?       0.000000       9.843365  
1 1 1 -20 53  1  f 17.950  7.7384  -13.1431   273.494  172.614    364.977  -251.0211  413.020  23.520  9.4246  19.244  8.8091  4.275852       12.90047  
1 1 1 -20 53  2  o 67.640  5.1021  2526.91    371.037  2536.63    505.862  2515.59    545.871  67.184  7.0573  66.674  7.7006  0.5095978      10.44532  
1 1 1 -20 53  3  o 47.720  2.4765  1240.71    127.560  1240.25    132.169  1246.92    487.326  47.700  2.5677  45.906  10.077  1.793915       10.39937  
1 1 1 -20 53  4  o 122.865 2.8603  8212.52    380.634  7732.90    435.544  9763.03    783.107  119.116 3.3759  133.174 5.4291  -14.05793      6.393147  
1 1 1 -20 53  5  o 89.843  2.8614  4391.64    278.439  4398.44    314.607  4367.07    598.129  89.855  3.2326  88.605  6.2731  1.249542       7.057038  
1 1 1 -20 53  6  o 79.805  2.8985  3465.94    250.534  3381.22    281.244  3791.54    551.377  78.767  3.2966  82.532  6.2138  -3.764610      7.034105  
1 1 1 -20 53  7  o 114.070 3.0993  7087.56    382.920  7446.01    437.811  5920.89    789.846  116.836 3.4597  102.765 7.1405  14.07067       7.934533  
1 1 1 -20 53  8  o 64.294  2.5046  2247.55    174.414  2336.72    258.865  2173.41    236.031  65.308  3.6745  63.017  3.4715  2.291016       5.055066  
1 1 1 -20 53  9  o 18.315  7.0914  125.834    200.453  243.671    241.502  -135.1540  359.410  22.209  7.9363  18.873  8.4689  3.335958       11.60631  
1 1 1 -20 53  10 f 35.988  5.0600  727.172    191.783  787.360    220.636  541.133    387.905  37.326  5.6328  30.813  10.085  6.513218       11.55151  
1 1 1 -20 53  11 o 15.620  6.4587  44.168     177.937  66.620     206.080  -21.6064   352.727  17.096  6.9966  20.063  8.7184  -2.966806      11.17866  
1 1 1 -20 53  12 o 110.584 3.1453  6674.92    376.726  6024.40    436.621  8570.07    745.241  104.855 3.8446  124.285 5.5361  -19.43063      6.740132  
1 1 1 -20 53  13 o 53.641  4.1031  1589.74    236.579  1646.25    280.022  1448.81    442.214  54.396  4.8021  49.608  8.5383  4.788666       9.796029  
1 1 1 -20 53  14 o 46.862  4.4843  1221.73    224.828  1248.31    266.822  1156.66    417.497  47.123  5.3209  43.895  9.0811  3.228535       10.52511  
1 1 1 -20 53  15 o 28.036  7.1692  463.574    218.557  452.050    267.369  486.783    379.427  27.706  8.2757  29.206  9.9820  -1.500353      12.96640  
1 1 1 -20 53  16 o 45.665  5.1361  1175.38    249.622  1433.70    309.954  698.598    421.091  50.231  5.8040  33.643  10.454  16.58814       11.95690  
1 1 1 -20 53  17 o 32.622  6.7103  628.704    229.182  594.454    282.621  694.478    391.653  31.232  8.2367  33.286  10.033  -2.054667      12.98072  
1 1 1 -20 53  18 o 22.668  7.7648  291.405    229.592  339.232    289.722  210.670    376.424  24.503  8.6993  23.320  9.4899  1.183126       12.87387  
1 1 1 -20 53  19 o 21.601  8.0706  244.377    253.945  189.472    344.869  309.408    375.326  22.092  9.0473  24.593  9.6524  -2.501291      13.22964  
1 1 1 -20 53  20 o 34.698  9.6098  803.954    373.530  803.954    373.530  0.0000     0.0000   34.698  9.6098  ?       ?       0.000000       9.609771  
1 1 1 -20 53  21 o 33.024  10.361  760.884    412.525  760.884    412.525  0.0000     0.0000   33.024  10.361  ?       ?       0.000000       10.36090  
1 1 1 -20 53  22 o 24.302  10.002  300.369    424.074  300.369    424.074  0.0000     0.0000   24.302  10.002  ?       ?       0.000000       10.00171  
1 1 1 -20 53  23 o 31.734  10.869  755.256    449.872  755.256    449.872  0.0000     0.0000   31.734  10.869  ?       ?       0.000000       10.86912  
1 1 1 -20 53  24 o 24.949  10.336  366.751    456.998  366.751    456.998  0.0000     0.0000   24.949  10.336  ?       ?       0.000000       10.33617  
1 1 1 -20 54  1  o 65.679  5.1779  2386.17    365.353  2417.30    499.890  2350.47    535.299  65.495  7.1637  64.326  7.8457  1.168671       10.62417  
1 1 1 -20 54  2  o 30.689  8.5950  547.374    297.060  663.350    397.727  401.049    446.746  33.727  10.098  28.958  10.727  4.769041       14.73208  
1 1 1 -20 54  3  o 33.805  1.8610  621.972    67.876   621.513    68.637   642.308    457.147  33.790  1.8829  33.585  10.946  0.2052574      11.10690  
1 1 1 -20 54  4  o 38.621  3.3475  818.997    138.645  734.156    145.100  1709.41    470.068  36.488  3.7237  54.596  8.2030  -18.10795      9.008609  
1 1 1 -20 54  5  o 79.322  2.5607  3420.58    219.999  3641.08    278.356  3053.62    359.094  81.759  3.1434  74.524  4.4694  7.234398       5.464093  
1 1 1 -20 54  6  o 108.119 2.9294  6363.71    343.049  6398.59    390.346  6245.35    718.988  108.333 3.3267  105.942 6.2942  2.391212       7.119281  
1 1 1 -20 54  7  o 116.231 3.0031  7357.85    378.059  7378.14    437.832  7298.37    749.545  116.279 3.4764  114.619 6.0592  1.660141       6.985672  
1 1 1 -20 54  8  o 41.607  4.3027  958.679    191.100  937.596    217.302  1030.63    401.439  40.985  4.9988  41.762  9.1297  -0.7771416     10.40862  
1 1 1 -20 54  9  o 97.679  3.5555  5212.24    376.163  5249.27    457.527  5135.01    660.806  97.824  4.3182  95.829  6.4034  1.994362       7.723379  
1 1 1 -20 54  10 o 36.199  2.1055  714.358    82.196   901.150    259.041  693.445    86.676   39.798  6.2125  35.646  2.2566  4.151237       6.609670  
1 1 1 -20 54  11 o 29.668  1.6566  479.157    53.019   472.030    242.430  479.515    54.335   28.395  7.6921  29.675  1.6975  -1.280497      7.877202  
1 1 1 -20 54  12 o 30.387  1.6684  502.713    54.701   458.089    224.200  505.538    56.405   27.959  7.3183  30.468  1.7162  -2.509315      7.516825  
1 1 1 -20 54  13 o 92.414  2.9683  4661.51    297.109  4278.06    379.751  5266.62    477.051  88.259  3.9725  97.732  4.5067  -9.472816      6.007608  
1 1 1 -20 54  14 o 49.298  4.3030  1348.63    227.453  1336.67    267.450  1379.86    432.375  48.831  5.1336  48.248  8.5888  0.5835686      10.00607  
1 1 1 -20 54  15 o 50.048  4.4839  1394.71    240.487  1387.48    288.526  1411.16    435.256  49.594  5.4619  48.685  8.5671  0.9088211      10.16009  
1 1 1 -20 54  16 o 72.019  2.9315  2836.94    228.670  3222.30    358.218  2571.90    297.073  76.185  4.3593  68.158  4.0423  8.027412       5.945015  
1 1 1 -20 54  17 o 17.233  7.0905  75.528     213.055  10.142     262.182  202.656    365.580  17.529  7.5668  23.180  9.3814  -5.651220      12.05269  
1 1 1 -20 54  18 o 38.464  5.9133  864.104    238.463  1141.99    292.669  315.243    411.314  44.117  6.3042  25.417  10.063  18.69991       11.87498  
1 1 1 -20 54  19 f 40.301  2.3695  892.209    102.976  1290.55    381.668  860.935    106.942  45.593  8.0218  39.552  2.5093  6.040485       8.405142  
1 1 1 -20 54  20 o 41.743  8.1737  1099.21    356.329  1099.21    356.329  0.0000     0.0000   41.743  8.1737  ?       ?       0.000000       8.173702  
1 1 1 -20 54  21 o 47.582  8.7777  1466.94    435.703  1466.94    435.703  0.0000     0.0000   47.582  8.7777  ?       ?       0.000000       8.777678  
1 1 1 -20 54  22 o 16.807  7.9718  -304.5858  390.101  -304.5858  390.101  0.0000     0.0000   16.807  7.9718  ?       ?       0.000000       7.971771  
1 1 1 -20 54  23 o 20.693  9.1164  83.667     397.435  83.667     397.435  0.0000     0.0000   20.693  9.1164  ?       ?       0.000000       9.116415  
1 1 1 -20 54  24 o 30.962  10.873  733.558    451.474  733.558    451.474  0.0000     0.0000   30.962  10.873  ?       ?       0.000000       10.87275  
1 1 1 -20 55  1  o 103.447 4.5442  5866.96    509.152  5531.90    708.158  6225.51    732.561  99.574  6.6036  105.737 6.4271  -6.162193      9.214960  
1 1 1 -20 55  2  o 60.466  5.4647  2030.72    354.021  2259.84    482.358  1763.20    521.219  63.271  7.1651  55.116  9.0450  8.154530       11.53905  
1 1 1 -20 55  3  o 21.533  7.6828  227.091    226.234  254.996    263.841  149.595    439.682  22.953  8.2847  24.759  10.186  -1.805958      13.12998  
1 1 1 -20 55  4  o 17.742  5.0883  177.219    102.854  157.823    105.747  517.199    442.737  16.942  5.2344  30.977  10.773  -14.03460      11.97754  
1 1 1 -20 55  5  o 30.962  4.2350  534.327    138.300  481.212    146.522  968.161    418.748  29.237  4.7932  40.366  9.6988  -11.12908      10.81854  
1 1 1 -20 55  6  o 50.390  2.0222  1378.68    110.366  1257.02    194.460  1436.48    134.046  47.815  3.7858  51.408  2.4074  -3.592804      4.486435  
1 1 1 -20 55  7  o 48.238  2.3616  1264.78    123.389  1281.32    128.823  1081.10    429.340  48.483  2.4613  42.667  9.5309  5.816051       9.843568  
1 1 1 -20 55  8  o 71.773  3.1524  2808.74    245.056  3000.55    278.897  2159.10    513.267  74.129  3.4736  61.404  7.9008  12.72582       8.630706  
1 1 1 -20 55  9  o 69.148  2.8136  2604.26    210.725  2541.48    343.196  2642.25    266.977  67.809  4.7019  69.443  3.5616  -1.633560      5.898528  
1 1 1 -20 55  10 o 42.374  4.9407  1002.97    222.498  1188.96    267.032  580.624    402.395  46.038  5.4618  31.664  10.267  14.37413       11.62936  
1 1 1 -20 55  11 o 53.641  4.1937  1589.39    241.708  1697.62    288.717  1335.78    441.941  55.263  4.8735  47.529  8.9123  7.733814       10.15777  
1 1 1 -20 55  12 o 54.587  4.0880  1645.66    239.940  1593.82    283.629  1776.11    449.964  53.473  4.9534  55.423  7.7042  -1.949287      9.159218  
1 1 1 -20 55  13 o 45.418  1.9315  1120.90    95.015   856.004    239.974  1170.14    103.471  38.748  5.9047  46.394  2.0591  -7.645962      6.253404  
1 1 1 -20 55  14 o 79.028  3.4410  3420.75    294.533  3483.28    365.573  3305.07    497.224  79.399  4.2666  76.574  6.0443  2.824738       7.398468  
1 1 1 -20 55  15 o 40.112  5.1485  909.504    218.520  798.952    259.355  1180.02    405.705  37.023  6.7149  44.253  8.7744  -7.229351      11.04901  
1 1 1 -20 55  16 o 32.876  1.6881  588.913    59.909   515.876    258.060  593.074    61.591   29.236  7.9430  32.987  1.7299  -3.751295      8.129177  
1 1 1 -20 55  17 o 59.662  4.1310  1985.34    265.305  1904.02    320.409  2162.68    473.167  57.955  5.1583  60.452  7.3798  -2.497540      9.003857  
1 1 1 -20 55  18 o 61.831  4.5939  2159.18    305.452  2397.08    391.202  1787.62    488.897  64.498  5.6571  53.481  8.7422  11.01713       10.41291  
1 1 1 -20 55  19 o 27.439  9.2574  475.236    326.297  475.236    326.297  0.0000     0.0000   27.439  9.2574  ?       ?       0.000000       9.257393  
1 1 1 -20 55  20 o 66.803  5.9454  2615.22    425.678  2615.22    425.678  0.0000     0.0000   66.803  5.9454  ?       ?       0.000000       5.945360  
1 1 1 -20 55  21 o 27.853  10.641  500.969    447.133  500.969    447.133  0.0000     0.0000   27.853  10.641  ?       ?       0.000000       10.64084  
1 1 1 -20 55  22 o 16.849  7.8775  -204.1819  357.153  -204.1819  357.153  0.0000     0.0000   16.849  7.8775  ?       ?       0.000000       7.877466  
1 1 1 -20 55  23 f 24.631  9.9040  362.053    404.573  362.053    404.573  0.0000     0.0000   24.631  9.9040  ?       ?       0.000000       9.903975  
1 1 1 -20 55  24 o 36.082  10.583  982.416    440.454  982.416    440.454  0.0000     0.0000   36.082  10.583  ?       ?       0.000000       10.58255  
1 1 1 -20 56  1  o 80.077  4.7836  3534.42    412.997  3531.05    570.277  3538.14    598.907  79.382  6.6953  79.321  7.0444  0.6047058E-01  9.718514  
1 1 1 -20 56  2  o 36.965  2.5516  746.490    101.531  1407.54    424.563  706.392    104.565  49.369  8.2296  35.934  2.7066  13.43573       8.663228  
1 1 1 -20 56  3  o 80.913  4.7715  3607.97    416.314  3998.58    564.399  3141.82    616.568  84.706  6.1948  74.419  7.7637  10.28649       9.932251  
1 1 1 -20 56  4  o 41.371  3.1549  938.055    140.304  894.151    146.821  1399.87    476.180  40.347  3.3912  48.806  9.3483  -8.458817      9.944424  
1 1 1 -20 56  5  o 21.106  5.4983  254.973    126.949  238.395    132.226  450.314    453.892  20.472  5.7345  29.809  10.850  -9.336767      12.27204  
1 1 1 -20 56  6  o 25.580  5.4322  374.406    145.854  387.798    159.285  304.892    362.902  25.979  5.8068  25.749  9.6424  0.2303562      11.25585  
1 1 1 -20 56  7  o 135.261 3.1876  9977.12    466.983  10028.69   534.456  9810.68    960.141  135.467 3.6426  132.406 6.7171  3.061157       7.641194  
1 1 1 -20 56  8  o 92.588  2.8049  4668.68    281.283  4713.80    347.459  4582.88    479.138  92.899  3.4532  91.094  4.8739  1.805191       5.973223  
1 1 1 -20 56  9  o 44.892  4.8737  1123.03    233.166  996.698    281.720  1397.74    415.444  41.822  6.4248  49.062  8.1008  -7.239635      10.33930  
1 1 1 -20 56  10 o 67.343  3.7864  2491.14    275.057  2731.87    329.553  1938.38    499.376  70.378  4.3446  57.845  8.2003  12.53388       9.280073  
1 1 1 -20 56  11 o 37.706  5.0492  799.331    201.030  827.909    233.064  716.276    397.315  38.164  5.8228  34.473  10.034  3.690632       11.60106  
1 1 1 -20 56  12 o 46.543  4.3735  1202.95    217.886  1384.31    254.606  706.734    421.160  49.843  4.7746  34.194  10.426  15.64912       11.46701  
1 1 1 -20 56  13 o 44.834  4.6609  1121.61    223.022  1338.96    263.403  571.233    419.153  48.910  5.0447  31.303  10.493  17.60651       11.64230  
1 1 1 -20 56  14 o 63.127  2.6246  2173.07    179.450  2104.92    310.645  2207.21    219.841  61.495  4.6995  63.433  3.2102  -1.938164      5.691325  
1 1 1 -20 56  15 f 24.406  7.1625  348.987    201.713  501.206    239.198  -25.7454   375.305  28.967  7.5479  20.299  8.9031  8.668186       11.67203  
1 1 1 -20 56  16 o 20.677  7.3064  225.935    204.140  248.449    244.508  174.129    370.893  21.930  7.9661  22.873  9.3765  -0.9423981     12.30359  
1 1 1 -20 56  17 o 31.496  6.8015  595.675    225.235  452.063    273.430  898.819    397.261  27.157  8.4214  37.315  9.7291  -10.15777      12.86761  
1 1 1 -20 56  18 o 51.358  2.3681  1443.43    131.726  1139.65    355.641  1491.73    141.812  42.933  7.9404  52.177  2.5094  -9.243477      8.327524  
1 1 1 -20 56  19 o 19.992  8.4145  109.130    310.080  109.130    310.080  0.0000     0.0000   19.992  8.4145  ?       ?       0.000000       8.414544  
1 1 1 -20 56  20 o 18.338  8.1018  -2.8449    316.074  -2.8449    316.074  0.0000     0.0000   18.338  8.1018  ?       ?       0.000000       8.101838  
1 1 1 -20 56  21 o 37.939  9.6348  986.850    396.659  986.850    396.659  0.0000     0.0000   37.939  9.6348  ?       ?       0.000000       9.634837  
1 1 1 -20 56  22 o 25.502  9.8753  406.135    388.767  406.135    388.767  0.0000     0.0000   25.502  9.8753  ?       ?       0.000000       9.875296  
1 1 1 -20 56  23 o 25.909  9.9490  443.135    392.134  443.135    392.134  0.0000     0.0000   25.909  9.9490  ?       ?       0.000000       9.949037  
1 1 1 -20 57  1  o 51.979  6.0387  1516.55    333.634  1533.98    455.098  1496.31    490.555  51.451  8.4608  50.472  9.3169  0.9791489      12.58526  
1 1 1 -20 57  2  o 67.358  5.1842  2514.01    375.315  2797.18    513.375  2188.91    550.073  70.516  6.8062  61.666  8.4587  8.850391       10.85697  
1 1 1 -20 57  3  o 49.633  2.5675  1343.35    137.550  1449.06    431.023  1331.36    145.139  50.062  8.2357  49.389  2.7237  0.6728783      8.674396  
1 1 1 -20 57  4  o 15.185  5.5601  103.607    119.453  98.420     124.035  169.946    443.570  15.162  5.6451  25.060  10.262  -9.898835      11.71178  
1 1 1 -20 57  5  o 53.016  3.1963  1538.05    182.678  1541.90    195.574  1511.70    511.559  53.043  3.4224  50.547  9.6967  2.496002       10.28297  
1 1 1 -20 57  6  o 40.490  1.5878  889.406    69.632   905.541    70.807   415.379    383.790  40.855  1.6001  28.186  10.012  12.66907       10.13897  
1 1 1 -20 57  7  o 43.417  1.8970  1023.48    89.207   901.167    196.600  1055.19    100.106  40.240  4.5931  44.072  2.0971  -3.831680      5.049204  
1 1 1 -20 57  8  o 126.903 3.2008  8787.55    439.949  9123.07    504.779  7727.20    897.351  129.171 3.6080  117.087 7.1096  12.08389       7.972665  
1 1 1 -20 57  9  o 100.681 3.0616  5529.27    333.866  5559.92    382.373  5430.93    684.901  100.849 3.5006  98.377  6.4638  2.471581       7.350843  
1 1 1 -20 57  10 o 42.743  4.8228  1020.16    219.365  951.900    259.216  1192.41    411.748  40.924  6.0286  44.871  8.7865  -3.947079      10.65589  
1 1 1 -20 57  11 o 15.135  6.4507  8.5849     186.075  54.581     217.504  -116.9708  359.356  17.173  7.1240  18.946  8.4874  -1.773674      11.08093  
1 1 1 -20 57  12 o 86.645  3.3597  4107.13    315.293  4040.52    370.685  4281.39    599.572  85.762  3.9906  87.107  6.3998  -1.345367      7.542083  
1 1 1 -20 57  13 o 21.190  7.5034  229.923    215.407  241.921    264.868  206.487    370.181  22.399  8.2671  23.778  9.5044  -1.379578      12.59682  
1 1 1 -20 57  14 o 18.622  7.2320  136.569    208.965  136.931    254.410  135.817    366.353  19.810  7.8920  22.436  9.2714  -2.626053      12.17546  
1 1 1 -20 57  15 o 20.086  1.4863  220.253    32.104   191.784    306.396  220.569    32.281   21.982  8.6913  20.099  1.4935  1.883112       8.818678  
1 1 1 -20 57  16 o 57.312  4.1094  1830.74    253.393  1704.89    302.009  2130.00    465.715  54.858  5.1429  60.107  7.3037  -5.248901      8.932711  
1 1 1 -20 57  17 o 49.366  2.0453  1329.27    109.362  802.935    302.243  1408.57    117.311  36.020  7.9592  50.802  2.1320  -14.78178      8.239837  
1 1 1 -20 57  18 o 52.638  6.6154  1644.68    368.826  1644.68    368.826  0.0000     0.0000   52.638  6.6154  ?       ?       0.000000       6.615413  
1 1 1 -20 57  19 o 29.387  9.2585  563.151    329.026  563.151    329.026  0.0000     0.0000   29.387  9.2585  ?       ?       0.000000       9.258469  
1 1 1 -20 57  20 o 17.941  8.0042  -31.4631   316.109  -31.4631   316.109  0.0000     0.0000   17.941  8.0042  ?       ?       0.000000       8.004152  
1 1 1 -20 57  21 o 24.127  9.5792  321.263    373.648  321.263    373.648  0.0000     0.0000   24.127  9.5792  ?       ?       0.000000       9.579243  
1 1 1 -20 57  22 o 20.410  8.8866  95.878     367.888  95.878     367.888  0.0000     0.0000   20.410  8.8866  ?       ?       0.000000       8.886601  
1 1 1 -20 57  23 o 29.619  10.399  640.905    412.991  640.905    412.991  0.0000     0.0000   29.619  10.399  ?       ?       0.000000       10.39916  
1 1 1 -20 58  1  o 54.726  5.8258  1676.82    340.005  1724.04    464.672  1622.41    498.822  54.705  8.0861  52.644  9.0761  2.061081       12.15572  
1 1 1 -20 58  2  o 55.830  2.8653  1701.82    172.677  1974.54    472.074  1659.69    185.534  58.814  7.5876  55.090  3.1223  3.723942       8.204868  
1 1 1 -20 58  3  o 50.125  6.1525  1414.94    327.012  1579.25    433.351  1197.62    498.364  52.395  7.8802  44.568  10.497  7.827549       13.12590  
1 1 1 -20 58  4  o 48.466  6.4128  1328.78    328.362  1558.62    432.464  1015.89    504.583  52.015  7.9269  40.883  11.107  11.13195       13.64517  
1 1 1 -20 58  5  o 83.994  2.8344  3842.31    257.860  3642.01    282.922  4824.97    626.660  81.713  3.1967  92.920  6.2632  -11.20702      7.031805  
1 1 1 -20 58  6  o 79.138  2.5952  3408.12    222.450  3606.58    283.706  3091.39    358.414  81.303  3.2217  74.898  4.4380  6.405350       5.484082  
1 1 1 -20 58  7  o 109.217 2.9916  6502.63    353.889  6338.78    403.121  7053.22    738.971  107.714 3.4554  112.438 6.0907  -4.724396      7.002556  
1 1 1 -20 58  8  o 106.505 3.0131  6185.72    347.585  5990.46    396.619  6832.21    721.676  104.685 3.4980  110.632 6.0456  -5.947128      6.984615  
1 1 1 -20 58  9  o 40.637  1.9706  897.112    86.734   858.824    202.362  905.728    95.999   39.165  4.8760  40.760  2.1824  -1.594536      5.342116  
1 1 1 -20 58  10 o 38.030  2.6212  791.468    107.307  1442.52    264.805  663.552    117.376  50.884  4.8640  34.718  3.1559  16.16618       5.798149  
1 1 1 -20 58  11 o 19.884  2.2245  217.708    47.088   561.152    232.402  203.005    48.085   30.934  7.0882  19.171  2.3660  11.76360       7.472671  
1 1 1 -20 58  12 o 29.803  1.7951  484.197    57.677   556.758    269.839  480.723    59.041   30.607  8.0369  29.691  1.8451  0.9164829      8.246017  
1 1 1 -20 58  13 o 31.406  6.8076  578.565    224.886  717.835    274.231  292.588    392.965  34.839  7.4901  25.610  9.9254  9.229160       12.43440  
1 1 1 -20 58  14 o 35.326  6.3388  724.859    233.624  810.476    288.257  560.963    398.825  36.979  7.4546  30.664  10.235  6.314264       12.66214  
1 1 1 -20 58  15 o 58.568  4.3284  1912.88    272.626  2029.38    334.087  1680.69    471.668  59.961  5.1956  52.753  8.5475  7.208275       10.00273  
1 1 1 -20 58  16 o 60.182  4.1634  2023.10    269.718  2239.82    327.557  1566.71    475.335  63.009  4.8366  50.149  9.0858  12.86029       10.29296  
1 1 1 -20 58  17 o 64.409  2.9992  2283.29    209.227  2495.84    407.143  2207.01    243.895  65.719  5.7786  63.012  3.5885  2.707367       6.802157  
1 1 1 -20 58  18 o 38.967  8.2948  957.221    339.340  957.221    339.340  0.0000     0.0000   38.967  8.2948  ?       ?       0.000000       8.294806  
1 1 1 -20 58  19 o 45.810  7.5539  1294.05    361.735  1294.05    361.735  0.0000     0.0000   45.810  7.5539  ?       ?       0.000000       7.553896  
1 1 1 -20 58  20 o 20.478  8.5958  137.405    322.158  137.405    322.158  0.0000     0.0000   20.478  8.5958  ?       ?       0.000000       8.595822  
1 1 1 -20 58  21 o 14.688  7.0972  -417.9355  342.261  -417.9355  342.261  0.0000     0.0000   14.688  7.0972  ?       ?       0.000000       7.097161  
1 1 1 -20 58  22 o 34.732  10.233  879.039    411.021  879.039    411.021  0.0000     0.0000   34.732  10.233  ?       ?       0.000000       10.23319  
1 1 1 -20 58  23 o 18.476  8.4311  -67.7595   374.528  -67.7595   374.528  0.0000     0.0000   18.476  8.4311  ?       ?       0.000000       8.431146  
1 1 1 -20 59  1  o 32.037  8.4995  605.146    299.791  637.467    406.629  566.657    443.735  32.967  10.277  31.750  10.795  1.217222       14.90503  
1 1 1 -20 59  2  o 76.314  4.8930  3220.10    402.310  3081.38    553.208  3375.81    586.122  73.859  6.9988  77.298  7.0795  -3.438454      9.955051  
1 1 1 -20 59  3  f 79.505  3.4899  3452.88    300.518  3489.28    556.628  3437.90    357.022  78.813  6.5810  79.077  4.1833  -0.2648392     7.798025  
1 1 1 -20 59  4  o 80.721  4.8003  3599.11    417.795  3539.57    565.561  3670.62    619.870  79.346  6.6420  80.567  7.1788  -1.220520      9.780089  
1 1 1 -20 59  5  o 52.531  1.9963  1498.78    113.581  1340.18    185.679  1593.61    143.577  49.407  3.4923  54.128  2.4490  -4.721107      4.265405  
1 1 1 -20 59  6  o 67.311  2.9923  2470.00    218.151  2505.29    243.537  2326.73    490.735  67.738  3.3194  63.965  7.2090  3.773342       7.936488  
1 1 1 -20 59  7  o 58.141  3.2973  1851.67    206.788  1816.44    231.187  1992.65    462.465  57.492  3.7329  59.035  7.3949  -1.543453      8.283674  
1 1 1 -20 59  8  o 87.515  2.7684  4173.10    262.414  4395.03    328.075  3778.95    437.219  89.678  3.3777  82.604  4.9089  7.074318       5.958699  
1 1 1 -20 59  9  o 38.725  4.3941  835.284    181.038  902.036    202.736  572.540    402.219  40.171  4.7517  31.370  10.270  8.800840       11.31561  
1 1 1 -20 59  10 o 43.697  4.7367  1065.76    220.595  1141.52    260.133  871.794    416.231  45.035  5.4436  37.823  10.006  7.211876       11.39074  
1 1 1 -20 59  11 o 37.003  5.3887  775.361    209.628  986.604    246.163  217.900    399.888  41.765  5.5815  24.616  9.8646  17.14867       11.33413  
1 1 1 -20 59  12 o 91.363  3.2774  4567.37    324.314  4815.91    378.227  3877.18    630.284  93.674  3.7279  82.346  7.1374  11.32800       8.052274  
1 1 1 -20 59  13 o 85.529  3.0171  4000.14    279.490  4642.90    379.866  3241.50    412.689  91.879  3.8172  76.190  5.0293  15.68899       6.313818  
1 1 1 -20 59  14 o 33.391  6.3124  650.811    219.931  881.331    263.898  126.648    397.938  38.921  6.4886  22.832  9.5671  16.08862       11.55990  
1 1 1 -20 59  15 f 76.622  3.6187  3238.63    300.316  3354.53    357.906  2962.89    552.064  77.593  4.2752  71.053  7.2762  6.539429       8.439206  
1 1 1 -20 59  16 o 39.600  5.9585  915.661    247.647  857.339    307.369  1023.57    418.093  37.355  7.8465  39.719  9.7830  -2.363956      12.54089  
1 1 1 -20 59  17 o 23.684  8.2059  328.643    256.746  329.457    344.344  327.624    385.283  24.616  9.3538  25.068  9.7964  -0.4515553     13.54484  
1 1 1 -20 59  18 o 20.719  8.8679  93.098     354.359  93.098     354.359  0.0000     0.0000   20.719  8.8679  ?       ?       0.000000       8.867929  
1 1 1 -20 59  19 o 33.216  9.3165  734.894    348.760  734.894    348.760  0.0000     0.0000   33.216  9.3165  ?       ?       0.000000       9.316501  
1 1 1 -20 59  20 o 22.889  9.0247  274.273    329.506  274.273    329.506  0.0000     0.0000   22.889  9.0247  ?       ?       0.000000       9.024677  
1 1 1 -20 59  21 o 31.575  10.173  710.638    395.536  710.638    395.536  0.0000     0.0000   31.575  10.173  ?       ?       0.000000       10.17297  
1 1 1 -20 59  22 o 27.751  10.003  535.067    384.436  535.067    384.436  0.0000     0.0000   27.751  10.003  ?       ?       0.000000       10.00286  
1 1 1 -20 60  1  o 19.775  8.1621  83.641     283.440  50.851     383.057  123.319    421.366  21.879  9.2882  23.812  9.9000  -1.933296      13.57497  
1 1 1 -20 60  2  o 29.781  1.6508  482.751    53.041   367.670    401.109  484.800    53.511   27.447  10.165  29.844  1.6621  -2.396587      10.29992  
1 1 1 -20 60  3  o 39.023  7.5886  885.671    309.192  1042.74    408.138  674.110    473.672  41.853  9.2497  33.990  11.145  7.862976       14.48366  
1 1 1 -20 60  4  o 4.4092  2.1598  -68.6584   34.809   -326.8303  358.655  -66.2034   34.974   16.780  7.8608  4.4766  2.1869  12.30367       8.159344  
1 1 1 -20 60  5  o 70.253  2.9154  2689.91    221.834  2618.11    240.399  3101.68    575.681  69.263  3.2045  73.901  7.2871  -4.638023      7.960548  
1 1 1 -20 60  6  o 27.516  5.3444  432.603    153.537  484.593    164.563  83.161     426.638  29.146  5.4122  23.324  9.8464  5.822067       11.23582  
1 1 1 -20 60  7  o 93.855  2.9708  4804.17    301.996  4924.23    342.628  4386.13    639.346  94.934  3.3322  88.171  6.7460  6.763695       7.524131  
1 1 1 -20 60  8  o 38.021  4.4653  806.143    180.381  722.502    201.587  1142.13    404.028  35.731  5.3754  43.862  8.8105  -8.130711      10.32086  
1 1 1 -20 60  9  o 38.550  4.5636  829.933    186.849  867.667    210.861  691.982    403.175  39.293  5.0731  33.906  10.170  5.387348       11.36528  
1 1 1 -20 60  10 o 69.714  3.6575  2670.10    275.204  2823.78    325.932  2288.43    513.655  71.528  4.2258  62.989  7.6885  8.538704       8.773304  
1 1 1 -20 60  11 f 89.833  3.2431  4413.32    315.545  4446.05    366.410  4319.38    620.786  90.015  3.7582  87.319  6.6130  2.695793       7.606293  
1 1 1 -20 60  12 f 36.238  5.6741  750.299    215.400  728.762    253.650  805.996    407.901  35.303  6.8809  36.133  10.055  -0.8297005     12.18375  
1 1 1 -20 60  13 o 61.430  3.9220  2087.27    259.587  2210.32    307.174  1779.86    485.539  63.005  4.5316  54.660  8.4758  8.345039       9.611203  
1 1 1 -20 60  14 o 58.494  2.6945  1870.71    170.709  2041.00    312.633  1798.36    203.767  60.296  4.8276  57.124  3.3076  3.171917       5.851995  
1 1 1 -20 60  15 o 13.990  6.3629  -102.6889  211.084  -118.8938  258.472  -70.2399   365.755  15.457  7.0342  19.190  8.5819  -3.732865      11.09634  
1 1 1 -20 60  16 o 34.709  2.0096  659.223    75.224   809.884    387.257  653.315    76.684   35.136  9.8039  34.543  2.0590  0.5924225      10.01777  
1 1 1 -20 60  17 o 36.664  9.2249  873.226    366.021  873.226    366.021  0.0000     0.0000   36.664  9.2249  ?       ?       0.000000       9.224927  
1 1 1 -20 60  18 o 67.713  6.1853  2692.55    448.626  2692.55    448.626  0.0000     0.0000   67.713  6.1853  ?       ?       0.000000       6.185319  
1 1 1 -20 60  19 o 27.440  9.9453  481.381    380.779  481.381    380.779  0.0000     0.0000   27.440  9.9453  ?       ?       0.000000       9.945251  
1 1 1 -20 60  20 o 53.091  7.8498  1774.80    437.772  1774.80    437.772  0.0000     0.0000   53.091  7.8498  ?       ?       0.000000       7.849751  
1 1 1 -20 60  21 o 49.417  5.9704  1461.16    313.084  1550.48    429.308  1359.69    457.577  48.788  8.4291  44.299  9.7967  4.488640       12.92383  
1 1 1 -20 60  22 o 22.291  8.5750  283.241    291.622  207.299    419.079  354.538    406.059  22.658  9.6693  24.661  9.9200  -2.003368      13.85286  
1 1 1 -20 61  1  f 68.069  5.1381  2573.59    376.022  2573.50    517.470  2573.68    547.337  67.268  7.2151  67.064  7.6733  0.2030792      10.53266  
1 1 1 -20 61  2  o 52.247  6.0955  1538.81    338.454  1494.21    459.152  1591.87    500.854  50.487  8.7115  51.912  9.2469  -1.425377      12.70414  
1 1 1 -20 61  3  o 66.174  3.0442  2388.28    218.184  2251.47    492.696  2421.65    243.345  62.805  7.3839  66.494  3.3901  -3.689732      8.124986  
1 1 1 -20 61  4  o 119.333 4.6480  7841.10    600.756  7781.16    829.913  7907.08    870.751  117.772 6.5317  118.546 6.8103  -0.7738571     9.436292  
1 1 1 -20 61  5  o 96.009  2.6160  5018.88    272.028  4723.24    295.672  6648.68    694.221  93.074  2.9330  109.169 5.8931  -16.09447      6.582600  
1 1 1 -20 61  6  o 80.684  2.9430  3550.16    257.186  3473.67    285.470  3879.83    592.620  79.738  3.3054  82.932  6.6536  -3.194710      7.429379  
1 1 1 -20 61  7  o 120.413 3.0817  7914.17    401.922  8011.50    458.922  7593.76    832.678  121.014 3.5013  116.132 6.6476  4.881981       7.513300  
1 1 1 -20 61  8  o 114.640 3.1109  7175.92    386.273  7321.45    442.416  6709.19    792.290  115.660 3.5316  109.030 6.7422  6.630020       7.611176  
1 1 1 -20 61  9  o 33.594  5.2927  640.091    186.206  814.642    210.987  25.218     395.991  37.993  5.2691  21.714  9.3362  16.27872       10.72049  
1 1 1 -20 61  10 o 39.797  4.5776  884.923    193.720  1007.47    242.567  669.132    321.887  42.248  5.4263  33.383  8.7837  8.865669       10.32465  
1 1 1 -20 61  11 o 83.870  3.2777  3849.94    297.750  3764.20    344.893  4100.84    589.983  82.766  3.8474  85.067  6.4514  -2.301422      7.511473  
1 1 1 -20 61  12 o 48.509  4.5429  1313.39    235.906  1378.65    279.291  1150.90    440.696  49.453  5.2966  43.260  9.6508  6.193363       11.00875  
1 1 1 -20 61  13 o 24.731  7.1260  361.165    201.304  447.408    236.057  131.230    385.441  27.340  7.6635  22.617  9.4413  4.722414       12.16009  
1 1 1 -20 61  14 o 29.528  7.1579  524.971    226.542  488.578    276.370  599.504    395.511  28.286  8.4058  31.004  10.185  -2.718601      13.20596  
1 1 1 -20 61  15 o 20.967  7.8043  222.479    237.030  17.431     301.404  554.847    383.734  18.596  8.0701  29.699  10.039  -11.10316      12.88059  
1 1 1 -20 61  16 o 16.687  7.3677  -27.7293   260.964  268.985    366.937  -331.4058  371.218  23.864  9.4871  16.509  7.8147  7.354879       12.29123  
1 1 1 -20 61  17 o 24.995  9.4161  350.630    347.083  350.630    347.083  0.0000     0.0000   24.995  9.4161  ?       ?       0.000000       9.416131  
1 1 1 -20 61  18 o 17.033  8.0814  -345.1413  401.574  -345.1413  401.574  0.0000     0.0000   17.033  8.0814  ?       ?       0.000000       8.081432  
1 1 1 -20 61  19 o 42.659  10.144  1251.23    461.825  1251.23    461.825  0.0000     0.0000   42.659  10.144  ?       ?       0.000000       10.14371  
1 1 1 -20 61  20 o 30.138  8.3360  597.296    281.273  684.593    380.705  492.368    417.381  31.294  9.9697  27.400  10.325  3.894680       14.35278  
1 1 1 -20 61  21 o 27.342  8.8016  501.668    296.133  1029.87    432.712  36.346     406.139  37.772  10.295  20.393  9.0871  17.37927       13.73190  
1 1 1 -20 61  22 o 21.259  8.7019  209.366    318.840  196.896    422.321  225.895    486.216  22.560  9.6692  23.723  10.273  -1.163212      14.10740  
1 1 1 -20 62  1  o 64.396  5.3016  2310.73    366.485  2382.77    505.299  2230.77    532.334  64.584  7.3548  62.127  8.1040  2.456440       10.94384  
1 1 1 -20 62  2  o 54.194  2.6638  1599.57    156.358  1569.84    463.987  1603.38    166.072  51.774  8.5742  54.165  2.8407  -2.390873      9.032529  
1 1 1 -20 62  3  o 44.153  6.9260  1119.29    320.322  1451.94    427.581  693.808    483.575  49.906  8.1948  34.287  11.262  15.61976       13.92807  
1 1 1 -20 62  4  o 95.498  4.6420  5024.95    480.146  4852.87    655.531  5224.11    705.249  92.853  6.5604  96.215  6.8116  -3.361313      9.457053  
1 1 1 -20 62  5  f 88.170  2.4719  4231.15    236.062  4064.95    253.514  5315.06    647.431  86.378  2.7097  97.381  6.1702  -11.00272      6.739028  
1 1 1 -20 62  6  o 47.663  3.5460  1249.78    181.746  1259.37    194.460  1183.50    511.013  47.794  3.7875  43.856  10.824  3.938652       11.46744  
1 1 1 -20 62  7  o 37.562  4.3667  786.348    174.336  763.675    193.671  883.197    400.274  36.854  4.9794  38.185  9.6685  -1.331253      10.87535  
1 1 1 -20 62  8  o 61.368  2.1697  2047.83    144.216  1542.98    236.457  2346.86    181.982  52.825  4.1666  65.644  2.5595  -12.81890      4.889985  
1 1 1 -20 62  9  o 42.841  4.2696  1019.78    195.473  1149.48    221.438  561.969    416.029  45.431  4.5618  31.131  10.453  14.29967       11.40535  
1 1 1 -20 62  10 o 38.032  5.4307  820.396    217.354  1018.07    256.822  321.402    408.042  42.336  5.7496  26.401  10.146  15.93521       11.66210  
1 1 1 -20 62  11 o 51.115  4.0402  1447.64    221.851  1551.22    255.578  1131.05    446.833  52.777  4.5144  42.846  9.8365  9.931385       10.82298  
1 1 1 -20 62  12 o 8.5321  2.9593  35.816     33.396   380.410    241.162  29.079     33.720   25.482  7.9100  8.0971  2.9557  17.38527       8.444183  
1 1 1 -20 62  13 o 51.571  4.4695  1488.96    247.182  1741.46    296.359  911.782    448.062  55.592  4.9745  37.628  10.562  17.96429       11.67480  
1 1 1 -20 62  14 o 63.786  3.8022  2260.09    261.487  2315.74    308.383  2117.69    493.269  64.271  4.4575  59.394  7.8609  4.877071       9.036798  
1 1 1 -20 62  15 o 33.183  2.1779  603.752    77.842   946.890    355.571  586.479    79.777   38.743  8.6879  32.686  2.2675  6.056812       8.978923  
1 1 1 -20 62  16 o 52.504  7.8782  1686.71    434.187  1686.71    434.187  0.0000     0.0000   52.504  7.8782  ?       ?       0.000000       7.878230  
1 1 1 -20 62  17 o 22.175  9.0330  202.310    341.494  202.310    341.494  0.0000     0.0000   22.175  9.0330  ?       ?       0.000000       9.033011  
1 1 1 -20 62  18 o 20.327  9.0828  -16.3467   408.792  -16.3467   408.792  0.0000     0.0000   20.327  9.0828  ?       ?       0.000000       9.082834  
1 1 1 -20 62  19 o 17.330  8.0473  -185.4299  362.737  -185.4299  362.737  0.0000     0.0000   17.330  8.0473  ?       ?       0.000000       8.047315  
1 1 1 -20 62  20 o 16.672  7.4408  -30.6092   273.468  -217.4987  383.541  162.653    390.025  17.420  8.1503  21.859  9.3284  -4.439764      12.38739  
1 1 1 -20 62  21 o 23.158  8.9004  311.224    313.992  365.671    414.068  237.549    481.662  25.013  10.033  23.926  10.292  1.086912       14.37339  
1 1 1 -20 63  1  o 48.135  2.3265  1260.38    121.293  1272.06    128.244  1161.25    373.490  48.283  2.4605  44.547  8.0366  3.735878       8.404782  
1 1 1 -20 63  2  o 31.604  8.6635  593.317    305.395  597.606    413.429  588.167    453.076  31.974  10.409  32.037  10.908  -0.6263924E-01 15.07759  
1 1 1 -20 63  3  o 39.141  7.6299  895.528    311.841  883.495    412.468  911.582    476.435  38.172  9.8947  38.549  10.916  -0.3774490     14.73315  
1 1 1 -20 63  4  o 45.102  6.9042  1168.04    326.537  1379.59    432.765  888.384    497.575  48.423  8.5648  38.038  11.273  10.38434       14.15764  
1 1 1 -20 63  5  o 18.094  1.3292  178.518    25.868   179.089    25.910   3.3505     453.754  18.123  1.3292  22.841  9.9070  -4.717905      9.995821  
1 1 1 -20 63  6  o 42.880  1.6161  997.978    75.058   696.561    175.309  1065.63    83.055   35.239  4.7110  44.303  1.7309  -9.063450      5.018944  
1 1 1 -20 63  7  o 67.075  3.1551  2457.52    229.215  2388.79    257.723  2717.67    501.395  65.945  3.6221  69.185  6.7782  -3.239639      7.685287  
1 1 1 -20 63  8  o 24.213  6.3455  340.913    168.427  401.486    187.913  93.455     379.814  26.217  6.6171  22.258  9.3376  3.959906       11.44447  
1 1 1 -20 63  9  o 44.070  4.2090  1078.84    198.460  1226.10    225.231  567.491    419.704  46.929  4.4857  31.177  10.499  15.75241       11.41735  
1 1 1 -20 63  10 o 78.439  3.6508  3377.75    310.168  3568.73    371.524  2938.51    563.455  80.313  4.2865  71.362  7.3974  8.951698       8.549608  
1 1 1 -20 63  11 o 72.206  3.3913  2860.05    265.218  2940.95    306.731  2620.36    527.949  72.973  3.8949  67.205  7.3742  5.767998       8.339634  
1 1 1 -20 63  12 o 64.061  3.8350  2271.84    264.863  2312.24    312.671  2169.20    498.394  64.363  4.5138  60.614  7.7704  3.748787       8.986282  
1 1 1 -20 63  13 o 10.175  2.3667  58.769     25.589   78.299     225.105  58.514     25.756   17.615  7.2724  10.151  2.3833  7.463007       7.652925  
1 1 1 -20 63  14 o 24.501  7.8010  359.644    233.115  433.219    291.746  229.715    387.696  26.665  8.7471  23.708  9.6374  2.956890       13.01505  
1 1 1 -20 63  15 o 25.028  9.5085  339.201    355.793  339.201    355.793  0.0000     0.0000   25.028  9.5085  ?       ?       0.000000       9.508544  
1 1 1 -20 63  16 o 36.779  9.4681  885.355    379.409  885.355    379.409  0.0000     0.0000   36.779  9.4681  ?       ?       0.000000       9.468096  
1 1 1 -20 63  17 o 46.082  8.1188  1327.67    390.421  1327.67    390.421  0.0000     0.0000   46.082  8.1188  ?       ?       0.000000       8.118819  
1 1 1 -20 63  18 o 18.065  8.4237  -222.7731  404.113  -222.7731  404.113  0.0000     0.0000   18.065  8.4237  ?       ?       0.000000       8.423725  
1 1 1 -20 63  19 o 18.059  7.6963  70.069     264.851  330.792    366.577  -214.6562  383.079  24.316  9.5407  17.520  8.1801  6.796598       12.56736  
1 1 1 -20 63  20 o 20.660  8.3781  192.400    292.181  178.204    367.211  216.896    482.369  21.660  9.1389  23.786  10.266  -2.126326      13.74431  
1 1 1 -20 63  21 o 21.015  8.5426  203.919    304.616  18.305     476.240  332.439    396.282  21.429  9.6705  24.327  9.7949  -2.897959      13.76435  
1 1 1 -20 64  1  o 79.990  3.5564  3502.15    308.119  3600.06    359.144  3229.15    599.722  80.855  4.1146  75.148  7.4671  5.707588       8.525716  
1 1 1 -20 64  2  o 78.814  3.5021  3398.73    298.950  3399.28    571.891  3398.52    350.678  77.421  6.8921  78.549  4.1365  -1.127594      8.038110  
1 1 1 -20 64  3  o 19.825  8.1803  88.627     284.582  257.922    371.552  -151.6389  442.633  24.824  9.6427  20.810  9.3634  4.013626       13.44074  
1 1 1 -20 64  4  o 75.169  5.0069  3137.82    405.308  3491.39    548.980  2714.18    600.917  78.658  6.5022  68.429  8.2760  10.22811       10.52470  
1 1 1 -20 64  5  o 63.638  2.8452  2208.39    196.109  2090.27    209.533  3042.63    556.850  61.789  3.1413  73.084  7.1254  -11.29472      7.787072  
1 1 1 -20 64  6  o 71.925  2.9935  2823.51    233.202  2640.73    253.649  3822.07    592.863  69.486  3.3703  82.161  6.7210  -12.67549      7.518712  
1 1 1 -20 64  7  o 93.769  3.0170  4801.12    306.410  4792.83    348.127  4829.64    645.534  93.574  3.4349  92.480  6.4857  1.093819       7.339118  
1 1 1 -20 64  8  o 66.208  3.1925  2397.12    228.939  2280.14    258.069  2829.32    496.038  64.359  3.7180  70.570  6.5650  -6.210808      7.544744  
1 1 1 -20 64  9  o 37.290  4.8642  783.171    191.782  671.317    217.289  1177.45    407.959  34.105  6.1067  44.270  8.8180  -10.16523      10.72605  
1 1 1 -20 64  10 o 84.091  3.6516  3885.78    332.581  3994.55    401.771  3648.99    592.791  84.882  4.3851  79.746  6.9321  5.136719       8.202628  
1 1 1 -20 64  11 o 38.888  5.0485  857.314    207.622  758.431    239.445  1156.93    416.799  36.075  6.3606  43.380  9.1583  -7.305294      11.15040  
1 1 1 -20 64  12 o 55.325  4.0527  1703.74    241.156  1700.58    282.639  1712.20    462.395  54.979  4.7944  53.304  8.2776  1.675079       9.565815  
1 1 1 -20 64  13 o 37.862  5.5518  828.438    220.910  895.352    260.030  654.873    418.788  39.022  6.3725  31.932  10.480  7.089535       12.26552  
1 1 1 -20 64  14 o 36.036  7.0079  783.015    263.672  884.480    340.940  632.018    415.912  37.488  8.5819  31.216  10.452  6.272120       13.52383  
1 1 1 -20 64  15 o 45.703  7.0188  1252.24    336.328  1252.24    336.328  0.0000     0.0000   45.703  7.0188  ?       ?       0.000000       7.018832  
1 1 1 -20 64  16 o 28.667  9.1538  526.127    320.798  526.127    320.798  0.0000     0.0000   28.667  9.1538  ?       ?       0.000000       9.153774  
1 1 1 -20 64  17 o 67.493  5.9360  2663.37    429.517  2663.37    429.517  0.0000     0.0000   67.493  5.9360  ?       ?       0.000000       5.935957  
1 1 1 -20 64  18 o 28.839  8.5348  541.450    285.355  658.544    414.085  435.555    393.785  30.894  10.429  26.567  10.025  4.326746       14.46556  
1 1 1 -20 64  19 o 18.159  7.8904  41.222     288.849  -170.3475  368.902  376.461    464.367  17.568  8.1431  25.897  10.540  -8.328739      13.31888  
1 1 1 -20 64  20 o 27.600  8.9574  510.180    306.247  794.730    453.348  271.340    415.341  32.785  10.911  23.680  9.8357  9.104992       14.68985  
1 1 1 -20 64  21 o 35.403  9.1540  857.499    353.603  792.789    495.650  924.570    504.612  32.315  11.389  34.628  11.511  -2.312943      16.19251  
1 1 1 -20 65  1  o 40.276  2.4820  886.501    107.747  1358.45    441.480  856.609    111.107  47.861  8.8421  39.570  2.6070  8.291061       9.218428  
1 1 1 -20 65  2  o 57.597  5.8134  1865.97    357.695  2214.71    489.944  1467.95    523.427  62.106  7.4311  49.179  10.163  12.92741       12.58979  
1 1 1 -20 65  3  o 80.709  4.5606  3602.06    397.037  3602.62    512.411  3601.22    628.069  80.143  5.9455  79.395  7.3885  0.7480392      9.483651  
1 1 1 -20 65  4  o 83.570  4.8686  3873.13    438.777  4259.55    596.412  3417.23    647.821  86.939  6.3783  77.031  7.8754  9.908295       10.13429  
1 1 1 -20 65  5  o 49.916  2.9799  1364.81    160.372  1321.01    168.610  1780.49    519.420  49.064  3.1902  54.781  9.0718  -5.716240      9.616337  
1 1 1 -20 65  6  o 57.516  3.2755  1815.04    203.204  1717.67    219.035  2416.55    544.398  55.861  3.6401  64.532  7.9574  -8.670658      8.750410  
1 1 1 -20 65  7  o 44.049  1.3785  1052.72    65.769   915.384    89.087   1217.24    97.504   41.033  2.0045  47.327  1.9021  -6.293518      2.763371  
1 1 1 -20 65  8  o 53.301  2.1655  1545.92    125.016  1371.38    230.730  1618.46    148.741  49.672  4.3320  54.492  2.5202  -4.819992      5.011780  
1 1 1 -20 65  9  o 46.689  4.0668  1210.40    203.599  1136.66    230.556  1471.55    433.899  45.014  4.8031  49.739  8.3500  -4.725437      9.632907  
1 1 1 -20 65  10 o 35.044  1.5812  667.071    60.017   437.655    257.770  680.220    61.713   27.092  8.1333  35.386  1.6102  -8.293129      8.291147  
1 1 1 -20 65  11 o 8.3073  2.6187  37.213     26.320   -184.4973  214.145  40.613     26.521   13.069  6.1068  8.6015  2.6148  4.467792       6.643109  
1 1 1 -20 65  12 f 32.524  6.2007  622.985    210.463  607.614    245.989  664.971    406.552  31.680  7.3167  32.259  10.305  -0.5794220     12.63855  
1 1 1 -20 65  13 o 28.246  7.6324  490.426    239.043  547.142    296.434  384.971    404.214  29.534  8.6873  26.536  10.122  2.997612       13.33892  
1 1 1 -20 65  14 o 33.720  8.7366  722.376    321.667  722.376    321.667  0.0000     0.0000   33.720  8.7366  ?       ?       0.000000       8.736567  
1 1 1 -20 65  15 o 15.328  7.1362  -200.2280  288.250  -200.2280  288.250  0.0000     0.0000   15.328  7.1362  ?       ?       0.000000       7.136224  
1 1 1 -20 65  16 o 23.485  8.9306  296.733    314.045  296.733    314.045  0.0000     0.0000   23.485  8.9306  ?       ?       0.000000       8.930631  
1 1 1 -20 65  17 o 24.194  9.1870  330.122    332.028  330.122    332.028  0.0000     0.0000   24.194  9.1870  ?       ?       0.000000       9.186989  
1 1 1 -20 65  18 o 36.326  7.6956  834.166    293.368  696.388    368.465  1072.75    484.867  31.894  9.7571  38.507  11.049  -6.613405      14.74039  
1 1 1 -20 65  19 o 36.504  7.2430  835.264    276.262  798.382    364.164  885.268    424.020  34.049  9.5094  35.150  10.404  -1.101185      14.09524  
1 1 1 -20 65  20 o 19.393  8.3033  95.246     310.851  99.903     407.240  88.744     481.173  21.274  9.3039  22.332  9.9247  -1.057219      13.60378  
1 1 1 -20 66  1  o 104.924 4.6333  6080.02    526.550  5968.16    735.266  6197.78    754.413  102.720 6.6443  104.654 6.6906  -1.933632      9.429254  
1 1 1 -20 66  2  o 163.311 5.4644  14838.97   966.552  15588.35   1267.24  13796.67   1494.53  165.919 7.0517  153.780 9.0123  12.13803       11.44323  
1 1 1 -20 66  3  f 190.757 6.1947  20403.18   1279.89  19633.51   2061.08  20886.27   1632.88  181.121 10.552  190.978 7.8940  -9.856918      13.17816  
1 1 1 -20 66  4  o 182.883 5.4759  18620.20   1084.67  18807.80   1522.29  18426.73   1545.90  181.339 7.7506  179.227 7.9635  2.111557       11.11259  
1 1 1 -20 66  5  o 120.308 3.1653  7913.63    412.454  7913.63    412.454  0.0000     0.0000   120.308 3.1653  ?       ?       0.000000       3.165271  
1 1 1 -20 66  6  o 42.629  3.8638  1006.47    176.463  982.170    188.301  1181.69    505.667  42.025  4.1929  43.489  10.788  -1.464046      11.57369  
1 1 1 -20 66  7  o 83.983  3.0463  3856.19    277.099  3763.08    309.690  4230.04    620.544  82.852  3.4511  86.183  6.7005  -3.331230      7.537048  
1 1 1 -20 66  8  o 31.969  5.4730  586.060    182.691  651.158    205.933  345.522    395.854  33.609  5.8708  26.480  10.037  7.129259       11.62779  
1 1 1 -20 66  9  o 37.488  4.8178  793.874    191.091  839.460    216.333  632.020    407.634  38.388  5.3483  32.063  10.327  6.325031       11.62980  
1 1 1 -20 66  10 o 20.383  7.2655  216.077    202.279  297.195    239.270  12.863     378.708  23.098  7.9263  20.724  9.0199  2.373260       12.00766  
1 1 1 -20 66  11 o 19.328  7.1770  180.967    200.223  180.687    234.769  181.714    383.456  20.057  7.6990  23.095  9.5085  -3.038229      12.23468  
1 1 1 -20 66  12 o 66.873  3.0696  2458.84    222.332  3050.88    391.699  2177.43    270.051  73.464  4.9516  62.480  4.0117  10.98373       6.372807  
1 1 1 -20 66  13 o 30.223  8.5606  574.891    292.966  574.891    292.966  0.0000     0.0000   30.223  8.5606  ?       ?       0.000000       8.560590  
1 1 1 -20 66  14 o 31.319  8.0997  614.386    276.810  614.386    276.810  0.0000     0.0000   31.319  8.0997  ?       ?       0.000000       8.099708  
1 1 1 -20 66  15 o 18.731  8.1767  16.911     313.251  16.911     313.251  0.0000     0.0000   18.731  8.1767  ?       ?       0.000000       8.176682  
1 1 1 -20 66  16 o 22.993  8.9040  272.953    316.054  272.953    316.054  0.0000     0.0000   22.993  8.9040  ?       ?       0.000000       8.904028  
1 1 1 -20 66  17 o 17.485  7.3846  68.251     240.138  52.211     322.885  88.106     359.228  19.271  8.3578  20.556  8.8654  -1.284859      12.18393  
1 1 1 -20 66  18 o 19.141  7.7772  144.784    252.329  -19.2717   340.048  345.800    376.410  18.600  8.2995  24.699  9.6744  -6.099333      12.74659  
1 1 1 -20 66  19 o 15.966  7.3575  -133.9737  294.742  78.732     384.129  -438.4840  459.610  20.646  9.0325  17.424  8.3697  3.222651       12.31414  
1 1 1 -20 66  20 o 16.961  7.5907  -33.8564   286.709  -25.7791   428.071  -40.4276   386.104  20.216  9.1416  19.224  8.6882  0.9929485      12.61162  
1 1 1 -20 67  1  o 114.220 4.6541  7215.76    575.769  7107.95    806.040  7328.08    822.737  111.962 6.6772  113.660 6.7129  -1.698357      9.468321  
1 1 1 -20 67  2  o 104.225 4.6754  6008.67    527.787  6256.18    735.657  5746.14    757.636  105.159 6.4907  100.410 7.0105  4.748924       9.553839  
1 1 1 -20 67  3  o 57.659  8.8630  1972.72    535.783  0.0000     0.0000   1972.72    535.783  ?       ?       57.659  8.8630  0.000000       8.862986  
1 1 1 -20 67  4  o 84.820  4.8425  3999.04    443.029  3980.34    603.269  4020.94    652.723  83.643  6.7157  83.730  7.2696  -0.8673096E-01 9.896845  
1 1 1 -20 67  5  o 84.825  2.5398  3922.21    233.346  3580.83    251.642  6017.01    623.357  80.976  2.8692  103.644 5.5734  -22.66740      6.268579  
1 1 1 -20 67  6  o 41.401  3.9115  951.258    173.320  941.593    184.833  1021.68    498.887  41.110  4.2105  40.166  11.099  0.9448547      11.87060  
1 1 1 -20 67  7  o 55.174  3.5380  1678.21    210.314  1653.80    228.085  1816.80    543.461  54.673  3.8769  54.642  9.5292  0.3089905E-01  10.28769  
1 1 1 -20 67  8  o 74.983  3.2030  3082.67    260.133  3228.18    296.166  2591.43    544.158  76.619  3.5689  66.484  7.6993  10.13495       8.486239  
1 1 1 -20 67  9  f 110.451 3.1410  6692.15    375.757  6627.11    430.441  6900.43    770.318  109.682 3.6233  109.710 6.5119  -0.2746582E-01 7.452035  
1 1 1 -20 67  10 o 13.911  6.2162  -60.5538   191.485  -226.7219  223.695  395.059    370.408  12.922  6.1014  26.660  9.7864  -13.73799      11.53263  
1 1 1 -20 67  11 o 113.156 3.8228  7094.91    468.526  7793.25    580.329  5787.62    794.007  118.048 4.5389  98.889  7.4683  19.15914       8.739389  
1 1 1 -20 67  12 o 98.379  3.8310  5370.60    408.215  5652.01    503.968  4833.70    696.104  100.364 4.6361  90.445  7.1645  9.918861       8.533687  
1 1 1 -20 67  13 o 73.126  5.2731  3049.41    414.844  3049.41    414.844  0.0000     0.0000   73.126  5.2731  ?       ?       0.000000       5.273129  
1 1 1 -20 67  14 o 33.915  8.5677  731.317    314.822  731.317    314.822  0.0000     0.0000   33.915  8.5677  ?       ?       0.000000       8.567672  
1 1 1 -20 67  15 o 36.276  8.5863  841.237    332.121  841.237    332.121  0.0000     0.0000   36.276  8.5863  ?       ?       0.000000       8.586269  
1 1 1 -20 67  16 o 58.978  6.2546  2056.98    393.440  2056.98    393.440  0.0000     0.0000   58.978  6.2546  ?       ?       0.000000       6.254552  
1 1 1 -20 67  17 o 32.611  7.9931  681.061    280.136  965.535    351.660  187.027    463.425  38.535  8.6391  23.578  10.118  14.95674       13.30421  
1 1 1 -20 67  18 o 20.117  8.2944  155.723    292.309  199.433    380.440  92.732     456.706  22.332  9.3559  22.163  9.7679  0.1694164      13.52566  
1 1 1 -20 67  19 o 22.148  8.7166  256.205    306.858  477.868    489.414  112.618    393.900  27.462  10.944  21.278  9.2298  6.184172       14.31669  
1 1 1 -20 68  1  o 19.175  8.1088  49.689     290.139  289.974    397.907  -223.1037  423.969  25.590  9.9681  19.419  8.9023  6.171623       13.36460  
1 1 1 -20 68  2  o 34.367  8.5041  713.052    314.826  774.745    429.513  641.424    462.811  35.352  10.473  32.701  11.025  2.650715       15.20654  
1 1 1 -20 68  3  o 27.071  8.8429  423.853    298.284  419.340    394.972  429.843    455.055  27.901  10.126  28.782  10.794  -0.8814430     14.80023  
1 1 1 -20 68  4  o 26.174  8.8779  386.622    300.109  619.645    393.757  63.635     463.577  31.970  10.134  23.515  10.106  8.455864       14.31190  
1 1 1 -20 68  5  o 3.2765  1.6595  -104.8742  29.511   -103.3000  29.573   -480.3103  456.706  3.3028  1.6716  18.035  8.5749  -14.73226      8.736259  
1 1 1 -20 68  6  o 39.940  1.9037  867.545    82.354   840.430    184.612  874.281    92.017   38.702  4.4873  40.018  2.1306  -1.315819      4.967483  
1 1 1 -20 68  7  o 90.162  2.6890  4441.70    262.598  4158.98    327.316  4952.36    439.897  86.988  3.4741  94.556  4.2953  -7.568451      5.524360  
1 1 1 -20 68  8  o 63.281  2.3888  2185.00    163.731  1909.81    251.999  2386.04    215.389  58.644  3.9911  65.983  3.0139  -7.338619      5.001239  
1 1 1 -20 68  9  o 74.555  2.6286  3040.03    212.263  2650.77    297.662  3442.79    302.774  69.069  3.9961  79.027  3.5373  -9.957985      5.336779  
1 1 1 -20 68  10 o 26.422  2.2257  383.616    63.100   772.314    297.085  365.252    64.573   35.477  7.9308  25.757  2.3402  9.719532       8.268873  
1 1 1 -20 68  11 o 28.275  7.7526  491.897    244.523  416.024    305.266  627.737    408.463  26.335  8.9538  31.261  10.355  -4.925379      13.68895  
1 1 1 -20 68  12 f 81.916  5.2655  3818.62    464.695  3818.62    464.695  0.0000     0.0000   81.916  5.2655  ?       ?       0.000000       5.265471  
1 1 1 -20 68  13 o 62.137  5.9446  2238.92    395.191  2238.92    395.191  0.0000     0.0000   62.137  5.9446  ?       ?       0.000000       5.944550  
1 1 1 -20 68  14 o 33.214  8.8701  710.997    325.116  710.997    325.116  0.0000     0.0000   33.214  8.8701  ?       ?       0.000000       8.870112  
1 1 1 -20 68  15 o 27.049  9.2665  460.335    326.990  460.335    326.990  0.0000     0.0000   27.049  9.2665  ?       ?       0.000000       9.266519  
1 1 1 -20 68  16 o 62.856  4.3731  2237.83    295.866  2211.60    378.941  2278.77    473.522  61.519  5.7539  61.149  7.2935  0.3703842      9.289953  
1 1 1 -20 68  17 o 25.134  8.0070  398.786    245.564  529.911    323.831  221.357    376.693  28.317  9.2120  22.721  9.3962  5.596104       13.15864  
1 1 1 -20 68  18 o 21.895  8.3454  262.551    274.629  9.4995     393.444  502.994    383.516  20.041  8.9362  27.552  9.9816  -7.510649      13.39734  
1 1 1 -20 68  19 f 34.146  9.4106  799.752    359.212  760.170    516.325  836.880    500.069  31.953  11.581  33.383  11.459  -1.429794      16.29158  
1 1 1 -20 69  1  o 65.215  5.3686  2394.43    375.839  2254.51    521.057  2546.18    542.631  61.898  7.9563  65.960  7.7427  -4.061737      11.10189  
1 1 1 -20 69  2  o 32.377  8.7022  638.612    311.731  466.601    424.234  840.492    459.595  28.955  10.497  36.461  10.841  -7.505753      15.09006  
1 1 1 -20 69  3  o 24.595  8.7848  324.102    295.869  487.954    389.442  100.430    455.011  29.054  10.104  23.697  10.093  5.356962       14.28157  
1 1 1 -20 69  4  o 32.752  2.2972  587.380    80.976   997.869    417.046  571.298    82.547   40.027  9.7173  32.286  2.3773  7.741432       10.00388  
1 1 1 -20 69  5  o ?       ?       -122.1465  24.631   -122.5841  24.667   27.931     456.814  ?       ?       22.759  9.9060  0.000000       9.905995  
1 1 1 -20 69  6  o 23.067  5.9534  312.260    149.748  325.514    157.847  192.955    473.591  23.526  6.1321  25.110  10.472  -1.583944      12.13555  
1 1 1 -20 69  7  o 24.047  6.4597  342.198    171.824  301.931    183.980  617.049    480.664  22.723  6.8825  31.752  11.212  -9.029139      13.15619  
1 1 1 -20 69  8  o 20.073  6.6072  226.240    166.409  234.107    185.492  193.797    376.676  20.571  6.9796  23.183  9.4702  -2.611692      11.76438  
1 1 1 -20 69  9  o 23.198  7.1969  317.917    199.672  158.525    231.889  774.963    392.671  19.445  7.5997  34.651  9.9433  -15.20614      12.51503  
1 1 1 -20 69  10 o 22.840  8.0406  291.882    247.001  495.147    317.471  -19.8753   393.171  28.275  9.1144  20.391  9.0210  7.884052       12.82384  
1 1 1 -20 69  11 o 91.682  4.8420  4741.58    479.108  4741.58    479.108  0.0000     0.0000   91.682  4.8420  ?       ?       0.000000       4.841986  
1 1 1 -20 69  12 o 67.361  5.4812  2599.87    396.433  2599.87    396.433  0.0000     0.0000   67.361  5.4812  ?       ?       0.000000       5.481183  
1 1 1 -20 69  13 o 19.187  8.1482  74.227     294.945  74.227     294.945  0.0000     0.0000   19.187  8.1482  ?       ?       0.000000       8.148187  
1 1 1 -20 69  14 o 17.412  7.7341  -35.2880   291.818  -35.2880   291.818  0.0000     0.0000   17.412  7.7341  ?       ?       0.000000       7.734085  
1 1 1 -20 69  15 o 26.257  9.1745  429.153    321.264  429.153    321.264  0.0000     0.0000   26.257  9.1745  ?       ?       0.000000       9.174501  
1 1 1 -20 69  16 o 30.350  8.2049  593.787    276.167  633.799    352.815  530.488    443.759  30.709  9.5732  28.549  10.668  2.160101       14.33370  
1 1 1 -20 69  17 o 23.447  8.2928  332.891    263.035  465.492    325.983  85.456     445.300  26.774  9.2480  21.949  9.6605  4.825403       13.37356  
1 1 1 -20 69  18 o 21.037  8.3582  212.744    284.641  198.033    362.385  236.439    459.911  22.029  9.1718  23.947  10.172  -1.917109      13.69652  
1 1 1 -20 70  1  o 34.538  8.4446  729.607    313.257  611.648    431.133  861.526    455.932  31.591  10.641  36.666  10.771  -5.075266      15.14070  
1 1 1 -20 70  2  o 65.580  3.0370  2356.26    215.715  2442.78    235.159  1897.01    541.787  66.716  3.2543  55.694  9.3102  11.02201       9.862570  
1 1 1 -20 70  3  o 50.338  6.3280  1460.92    337.385  1288.12    451.885  1678.57    507.153  45.597  9.4601  52.324  9.2890  -6.727837      13.25820  
1 1 1 -20 70  4  o 56.190  5.9005  1803.59    353.740  1917.84    474.715  1660.96    530.440  56.830  7.9283  51.639  9.8432  5.190769       12.63909  
1 1 1 -20 70  5  o 29.454  1.7159  473.241    54.503   473.257    54.867   472.088    473.648  29.453  1.7275  29.209  11.001  0.2436123      11.13539  
1 1 1 -20 70  6  o 57.144  3.2857  1800.77    202.502  1791.33    217.783  1861.04    550.318  56.908  3.5510  54.642  9.6515  2.265629       10.28399  
1 1 1 -20 70  7  f 32.795  5.2209  618.836    179.232  655.743    192.158  371.851    497.090  33.695  5.4515  27.667  11.029  6.028090       12.30237  
1 1 1 -20 70  8  o 16.698  6.8799  70.982     200.934  126.018    226.585  -131.6508  434.771  18.602  7.4358  20.177  9.1595  -1.575048      11.79782  
1 1 1 -20 70  9  o 40.304  5.2651  932.095    224.345  940.916    264.052  909.201    425.389  40.034  6.2977  37.252  10.230  2.781967       12.01327  
1 1 1 -20 70  10 o 61.042  6.5267  2178.10    424.824  2178.10    424.824  0.0000     0.0000   61.042  6.5267  ?       ?       0.000000       6.526707  
1 1 1 -20 70  11 o 32.428  8.6168  664.177    307.801  664.177    307.801  0.0000     0.0000   32.428  8.6168  ?       ?       0.000000       8.616751  
1 1 1 -20 70  12 o 39.375  8.3835  971.517    346.570  971.517    346.570  0.0000     0.0000   39.375  8.3835  ?       ?       0.000000       8.383475  
1 1 1 -20 70  13 o 24.028  8.9925  317.857    315.546  317.857    315.546  0.0000     0.0000   24.028  8.9925  ?       ?       0.000000       8.992544  
1 1 1 -20 70  14 o 20.945  8.7169  146.783    327.139  146.783    327.139  0.0000     0.0000   20.945  8.7169  ?       ?       0.000000       8.716857  
1 1 1 -20 70  15 o 29.572  7.1710  543.824    227.314  551.943    294.675  531.894    357.220  29.171  8.6822  28.523  9.6858  0.6487961      13.00751  
1 1 1 -20 70  16 o 48.549  5.4271  1374.94    280.493  1599.27    378.068  1100.28    418.336  51.258  6.9923  40.335  9.6956  10.92241       11.95396  
1 1 1 -20 70  17 o 23.273  8.0503  330.286    247.058  721.261    328.801  -176.6822  374.412  32.838  8.9843  17.677  8.1970  15.16077       12.16176  
1 1 1 -20 70  18 o 20.706  7.9601  222.464    251.190  297.783    335.439  126.305    379.011  23.344  9.1358  21.262  9.1376  2.082684       12.92127  
1 1 1 -20 71  1  o 28.450  8.9206  493.117    305.856  812.997    422.156  139.689    443.741  35.572  10.340  23.705  10.026  11.86758       14.40266  
1 1 1 -20 71  2  o 20.607  2.4096  234.913    52.766   230.887    53.131   524.894    450.923  20.420  2.4512  29.855  10.822  -9.434521      11.09635  
1 1 1 -20 71  3  o 19.318  8.1375  71.197     290.381  125.429    383.475  -1.6981    444.592  22.320  9.3741  21.960  9.6595  0.3601742      13.46027  
1 1 1 -20 71  4  f 40.252  7.7113  975.959    323.955  913.724    430.420  1057.28    492.018  37.650  10.270  40.111  10.997  -2.460575      15.04698  
1 1 1 -20 71  5  o 20.681  1.6633  234.047    36.942   161.497    385.403  234.719    37.113   22.828  9.4776  20.710  1.6687  2.117929       9.623379  
1 1 1 -20 71  6  o 62.173  3.5105  2138.84    235.429  1843.03    258.939  3549.58    565.473  57.437  4.1913  78.074  6.7536  -20.63714      7.948426  
1 1 1 -20 71  7  o 82.797  3.5909  3787.06    322.026  3738.22    368.960  3943.24    659.767  81.881  4.1742  81.524  7.5579  0.3571167      8.633974  
1 1 1 -20 71  8  o 109.697 3.5836  6650.58    425.778  5917.85    505.173  8447.75    791.156  102.857 4.5346  121.432 6.0153  -18.57455      7.533034  
1 1 1 -20 71  9  o 97.991  4.4872  5371.19    476.250  5371.19    476.250  0.0000     0.0000   97.991  4.4872  ?       ?       0.000000       4.487217  
1 1 1 -20 71  10 o 22.294  8.6497  235.335    298.697  235.335    298.697  0.0000     0.0000   22.294  8.6497  ?       ?       0.000000       8.649674  
1 1 1 -20 71  11 o 21.228  8.4383  191.871    290.260  191.871    290.260  0.0000     0.0000   21.228  8.4383  ?       ?       0.000000       8.438280  
1 1 1 -20 71  12 o 19.232  7.9687  109.631    271.671  109.631    271.671  0.0000     0.0000   19.232  7.9687  ?       ?       0.000000       7.968704  
1 1 1 -20 71  13 o 30.861  8.9681  616.530    317.615  616.530    317.615  0.0000     0.0000   30.861  8.9681  ?       ?       0.000000       8.968055  
1 1 1 -20 71  14 o 34.326  9.3139  779.860    355.095  779.860    355.095  0.0000     0.0000   34.326  9.3139  ?       ?       0.000000       9.313860  
1 1 1 -20 71  15 o 15.931  7.1356  -53.4236   253.923  -70.0772   330.548  -29.4476   396.614  17.855  8.0570  19.870  8.9078  -2.015547      12.01099  
1 1 1 -20 71  16 o 36.071  7.4578  816.362    281.745  1060.64    358.735  423.126    455.155  40.507  8.4500  26.684  10.579  13.82335       13.53982  
1 1 1 -20 71  17 o 12.547  6.0441  -313.3007  243.681  -389.6919  297.886  -158.7770  423.668  13.675  6.6110  18.984  8.7737  -5.309076      10.98557  
1 1 1 -20 72  1  o 60.293  8.3972  2205.65    533.480  0.0000     0.0000   2205.65    533.480  ?       ?       60.293  8.3972  0.000000       8.397175  
1 1 1 -20 72  2  o 68.984  7.8381  2840.66    575.240  0.0000     0.0000   2840.66    575.240  ?       ?       68.984  7.8381  0.000000       7.838136  
1 1 1 -20 72  3  o 56.199  9.0857  1953.14    534.168  0.0000     0.0000   1953.14    534.168  ?       ?       56.199  9.0857  0.000000       9.085702  
1 1 1 -20 72  4  o 42.965  10.765  1214.73    499.925  0.0000     0.0000   1214.73    499.925  ?       ?       42.965  10.765  0.000000       10.76494  
1 1 1 -20 72  5  f 40.639  11.145  1104.36    505.284  0.0000     0.0000   1104.36    505.284  ?       ?       40.639  11.145  0.000000       11.14512  
1 1 1 -20 72  6  o 25.933  5.8025  397.078    158.908  350.958    168.273  777.149    483.057  24.257  6.3357  34.282  11.256  -10.02563      12.91653  
1 1 1 -20 72  7  o 48.997  4.9203  1361.75    257.587  1361.75    257.587  0.0000     0.0000   48.997  4.9203  ?       ?       0.000000       4.920343  
1 1 1 -20 72  8  o 59.374  5.0513  2000.78    321.756  2000.78    321.756  0.0000     0.0000   59.374  5.0513  ?       ?       0.000000       5.051349  
1 1 1 -20 72  9  o 16.749  7.1369  33.950     227.683  33.950     227.683  0.0000     0.0000   16.749  7.1369  ?       ?       0.000000       7.136889  
1 1 1 -20 72  10 o 38.018  8.5473  908.688    343.400  908.688    343.400  0.0000     0.0000   38.018  8.5473  ?       ?       0.000000       8.547291  
1 1 1 -20 72  11 o 20.072  8.2422  135.241    287.186  135.241    287.186  0.0000     0.0000   20.072  8.2422  ?       ?       0.000000       8.242221  
1 1 1 -20 72  12 o 17.247  7.7222  -60.1785   297.071  -60.1785   297.071  0.0000     0.0000   17.247  7.7222  ?       ?       0.000000       7.722176  
1 1 1 -20 72  13 o 29.300  9.0508  555.733    316.179  555.733    316.179  0.0000     0.0000   29.300  9.0508  ?       ?       0.000000       9.050830  
1 1 1 -20 72  14 o 16.520  7.5869  -139.6987  309.858  -139.6987  309.858  0.0000     0.0000   16.520  7.5869  ?       ?       0.000000       7.586905  
1 1 1 -20 72  15 o 23.045  8.3841  308.944    270.988  704.735    358.738  -217.0318  413.549  32.277  9.5734  18.313  8.5333  13.96462       12.82448  
1 1 1 -20 72  16 o 23.386  8.7520  314.211    298.880  571.685    411.444  26.559     434.889  29.113  10.364  21.159  9.4177  7.953911       14.00346  
1 1 1 -20 72  17 o 18.125  7.5134  104.635    241.673  287.971    323.487  -126.9450  363.566  23.085  8.9890  17.931  8.2287  5.154823       12.18660  
1 1 1 -20 73  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 73  8  o 46.257  5.9678  1243.90    292.018  1243.90    292.018  0.0000     0.0000   46.257  5.9678  ?       ?       0.000000       5.967765  
1 1 1 -20 73  9  o 30.694  7.7335  582.979    256.988  582.979    256.988  0.0000     0.0000   30.694  7.7335  ?       ?       0.000000       7.733540  
1 1 1 -20 73  10 o 25.646  9.0488  389.939    312.998  389.939    312.998  0.0000     0.0000   25.646  9.0488  ?       ?       0.000000       9.048769  
1 1 1 -20 73  11 o 26.552  8.6901  437.158    288.013  437.158    288.013  0.0000     0.0000   26.552  8.6901  ?       ?       0.000000       8.690061  
1 1 1 -20 73  12 o 39.809  7.5664  977.054    314.317  977.054    314.317  0.0000     0.0000   39.809  7.5664  ?       ?       0.000000       7.566360  
1 1 1 -20 73  13 o 22.231  8.6163  250.041    296.165  250.041    296.165  0.0000     0.0000   22.231  8.6163  ?       ?       0.000000       8.616334  
1 1 1 -20 73  14 o 37.010  6.6052  829.691    255.063  845.683    360.610  813.681    360.816  35.674  9.2541  34.914  9.3532  0.7597733      13.15754  
1 1 1 -20 73  15 o 32.642  7.9433  681.597    278.165  456.014    360.992  1011.31    436.427  26.777  9.6867  38.079  10.323  -11.30231      14.15598  
1 1 1 -20 73  16 o 28.661  9.0067  542.372    311.590  599.513    436.576  483.043    444.851  29.632  10.662  27.608  10.598  2.023781       15.03302  
1 1 1 -20 74  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 74  11 o 19.749  8.1342  130.130    280.760  130.130    280.760  0.0000     0.0000   19.749  8.1342  ?       ?       0.000000       8.134157  
1 1 1 -20 74  12 o 21.007  8.5187  178.894    302.072  178.894    302.072  0.0000     0.0000   21.007  8.5187  ?       ?       0.000000       8.518661  
1 1 1 -20 74  13 o 22.533  9.0013  239.859    331.813  239.859    331.813  0.0000     0.0000   22.533  9.0013  ?       ?       0.000000       9.001328  
1 1 1 -20 74  14 o 23.783  8.2687  342.719    260.800  276.194    345.616  430.691    397.446  23.273  9.2216  26.545  10.058  -3.271994      13.64566  
1 1 1 -20 74  15 o 30.063  7.7641  575.461    254.577  776.541    358.602  371.154    361.468  33.952  9.4203  25.154  9.5774  8.798132       13.43386  
1 1 1 -20 75  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 75  14 o 37.467  10.339  974.743    433.254  0.0000     0.0000   974.743    433.254  ?       ?       37.467  10.339  0.000000       10.33882  
1 1 1 -20 75  15 f 16.586  7.8970  -352.9480  390.100  0.0000     0.0000   -352.9480  390.100  ?       ?       16.586  7.8970  0.000000       7.897020  
1 1 1 -20 76  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 76  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 77  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 78  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 79  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 80  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 81  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 82  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 83  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 84  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 84  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -20 84  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   1  o 76.022  4.2730  3162.00    349.295  3162.00    349.295  3162.00    349.295  76.022  4.2730  76.022  4.2730  -0.000000      0.000000  
1 1 1 -19 0   2  o 177.947 5.1619  17212.30   992.979  17212.30   992.979  17212.30   992.979  177.947 5.1619  177.947 5.1619  0.000000       0.000000  
1 1 1 -19 0   3  o 210.600 5.7838  24110.27   1317.05  24110.27   1317.05  24110.27   1317.05  210.600 5.7838  210.600 5.7838  -0.000000      0.000000  
1 1 1 -19 0   4  o 54.619  5.4123  1664.77    312.969  1664.77    312.969  1664.77    312.969  54.619  5.4123  54.619  5.4123  0.000000       0.000000  
1 1 1 -19 0   5  o 118.693 4.5012  7669.59    576.776  7669.59    576.776  7669.59    576.776  118.693 4.5012  118.693 4.5012  -0.000000      0.000000  
1 1 1 -19 0   6  o 192.194 5.2988  20077.06   1101.13  20077.06   1101.13  20077.06   1101.13  192.194 5.2988  192.194 5.2988  0.000000       0.000000  
1 1 1 -19 0   7  o 15.779  9.0673  170.181    247.406  170.181    247.406  170.181    247.406  15.779  9.0673  15.779  9.0673  0.000000       0.000000  
1 1 1 -19 0   8  o 293.084 7.0963  46724.82   2249.66  46724.82   2249.66  46724.82   2249.66  293.084 7.0963  293.084 7.0963  0.000000       0.000000  
1 1 1 -19 0   9  o 108.703 4.9986  6448.49    585.678  6448.49    585.678  6448.49    585.678  108.703 4.9986  108.703 4.9986  0.000000       0.000000  
1 1 1 -19 0   10 o 216.650 5.9699  25530.22   1398.45  25530.22   1398.45  25530.22   1398.45  216.650 5.9699  216.650 5.9699  0.000000       0.000000  
1 1 1 -19 0   11 o 109.531 4.7770  6543.67    564.259  6543.67    564.259  6543.67    564.259  109.531 4.7770  109.531 4.7770  0.000000       0.000000  
1 1 1 -19 0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   17 o 17.957  9.7215  251.873    264.655  251.873    264.655  251.873    264.655  17.957  9.7215  17.957  9.7215  0.000000       0.000000  
1 1 1 -19 0   18 o 62.889  5.0682  2194.56    340.062  2194.56    340.062  2194.56    340.062  62.889  5.0682  62.889  5.0682  0.000000       0.000000  
1 1 1 -19 0   19 o 149.011 4.7920  12129.93   771.587  12129.93   771.587  12129.93   771.587  149.011 4.7920  149.011 4.7920  0.000000       0.000000  
1 1 1 -19 0   20 o 33.638  7.9034  713.351    250.175  713.351    250.175  713.351    250.175  33.638  7.9034  33.638  7.9034  0.000000       0.000000  
1 1 1 -19 0   21 o 64.577  5.0138  2317.45    345.820  2317.45    345.820  2317.45    345.820  64.577  5.0138  64.577  5.0138  -0.000000      0.000000  
1 1 1 -19 0   22 o 14.570  9.0579  86.971     287.756  86.971     287.756  86.971     287.756  14.570  9.0579  14.570  9.0579  -0.000000      0.000000  
1 1 1 -19 0   23 o 96.058  4.5495  5076.57    470.921  5076.57    470.921  5076.57    470.921  96.058  4.5495  96.058  4.5495  0.000000       0.000000  
1 1 1 -19 0   24 o 80.300  4.7785  3570.27    412.236  3570.27    412.236  3570.27    412.236  80.300  4.7785  80.300  4.7785  0.000000       0.000000  
1 1 1 -19 0   25 o 29.554  2.3355  483.356    73.684   483.356    73.684   483.356    73.684   29.554  2.3355  29.554  2.3355  0.000000       0.000000  
1 1 1 -19 0   26 o 54.537  6.5739  1725.09    373.363  1725.09    373.363  1725.09    373.363  54.537  6.5739  54.537  6.5739  0.000000       0.000000  
1 1 1 -19 0   27 o 18.956  10.370  309.832    304.236  309.832    304.236  309.832    304.236  18.956  10.370  18.956  10.370  0.000000       0.000000  
1 1 1 -19 0   28 o 39.745  8.9728  1040.97    336.957  1040.97    336.957  1040.97    336.957  39.745  8.9728  39.745  8.9728  -0.000000      0.000000  
1 1 1 -19 0   29 o 34.139  10.474  862.502    338.591  862.502    338.591  862.502    338.591  34.139  10.474  34.139  10.474  0.000000       0.000000  
1 1 1 -19 0   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 1   1  o 144.679 3.2390  11346.75   507.566  11726.58   720.884  10973.35   714.769  147.013 4.5273  142.207 4.6406  4.806671       6.483182  
1 1 1 -19 1   2  o 67.217  3.0687  2448.93    223.413  2687.26    316.214  2211.37    315.695  70.263  4.1739  63.674  4.6087  6.589134       6.217847  
1 1 1 -19 1   3  o 275.697 4.9487  41255.47   1477.73  41758.08   2089.38  40752.44   2090.26  277.067 6.9625  273.695 7.0512  3.372101       9.909375  
1 1 1 -19 1   4  o 204.330 3.9664  22643.27   877.810  22197.74   1237.03  23095.17   1245.84  202.158 5.6496  206.211 5.5780  -4.053665      7.939300  
1 1 1 -19 1   5  o 176.727 3.5997  16934.87   689.028  16806.28   974.270  17063.54   974.596  175.945 5.1125  177.290 5.0754  -1.344650      7.203955  
1 1 1 -19 1   6  o 137.559 3.1991  10257.72   476.640  10189.60   673.779  10325.95   674.363  137.032 4.5397  137.947 4.5135  -0.9153748     6.401558  
1 1 1 -19 1   7  o 84.041  3.1242  3828.70    284.382  4168.53    405.347  3499.29    399.079  87.654  4.2696  80.165  4.6157  7.488457       6.287653  
1 1 1 -19 1   8  o 267.235 4.8351  38771.35   1399.48  37587.21   1978.79  39956.38   1979.53  262.774 6.9526  270.970 6.7448  -8.195923      9.686659  
1 1 1 -19 1   9  o 285.774 5.1023  44355.79   1579.27  43963.16   2231.20  44749.99   2235.67  284.085 7.2514  286.627 7.2014  -2.542450      10.21973  
1 1 1 -19 1   10 o 34.922  6.1434  682.772    223.883  834.820    315.791  529.120    317.452  38.434  7.8513  30.815  8.9689  7.618752       11.91989  
1 1 1 -19 1   11 o 114.388 4.7053  7106.56    582.959  7869.21    779.743  6140.04    877.799  120.262 5.9862  105.793 7.7138  14.46899       9.764122  
1 1 1 -19 1   12 o 118.285 3.7514  7592.54    480.612  7539.25    566.436  7729.54    908.152  117.821 4.4387  118.830 7.0883  -1.008583      8.363410  
1 1 1 -19 1   13 f 250.578 6.5567  34246.62   1779.49  34246.62   1779.49  0.0000     0.0000   250.578 6.5567  ?       ?       0.000000       6.556671  
1 1 1 -19 1   14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 1   15 o 170.457 7.2099  15928.90   1331.11  0.0000     0.0000   15928.90   1331.11  ?       ?       170.457 7.2099  0.000000       7.209894  
1 1 1 -19 1   16 o 156.773 4.8819  13400.56   828.954  0.0000     0.0000   13400.56   828.954  ?       ?       156.773 4.8819  0.000000       4.881916  
1 1 1 -19 1   17 o 149.783 4.7875  12247.29   776.677  0.0000     0.0000   12247.29   776.677  ?       ?       149.783 4.7875  0.000000       4.787492  
1 1 1 -19 1   18 o 146.969 3.3297  11752.36   530.037  11737.29   752.567  11767.20   746.639  146.523 4.7421  146.723 4.6983  -0.1992798     6.675434  
1 1 1 -19 1   19 o 88.694  2.9434  4278.41    282.755  4759.99    405.058  3820.71    394.888  93.383  4.0048  83.488  4.3823  9.895493       5.936563  
1 1 1 -19 1   20 o 64.789  3.3746  2293.99    235.990  1983.97    347.729  2558.69    321.315  59.796  5.4282  68.233  4.3708  -8.436886      6.969161  
1 1 1 -19 1   21 o 30.758  6.2687  543.713    201.752  665.719    298.415  440.997    273.811  33.660  8.2495  27.718  8.3964  5.942833       11.77090  
1 1 1 -19 1   22 o 38.627  5.2460  838.992    213.796  774.539    315.441  893.758    290.770  36.233  8.2260  39.341  7.0845  -3.108223      10.85618  
1 1 1 -19 1   23 o 52.386  4.0701  1516.97    229.124  1665.11    324.556  1369.78    323.506  54.431  5.5842  49.097  6.2232  5.334488       8.361369  
1 1 1 -19 1   24 o 13.664  6.2079  -105.3934  200.245  -15.5433   272.003  -211.7096  295.879  17.594  7.6509  15.794  7.3108  1.800168       10.58229  
1 1 1 -19 1   25 o 81.869  2.9314  3668.31    259.937  3791.75    421.179  3592.36    330.358  82.416  4.7383  80.737  3.7778  1.678101       6.059937  
1 1 1 -19 1   26 o 80.289  3.4355  3549.22    298.755  3085.58    422.253  4013.96    422.754  73.856  5.3141  84.707  4.6253  -10.85149      7.045098  
1 1 1 -19 1   27 o 15.758  6.8348  2.8396     215.948  357.412    294.402  -410.1335  317.723  24.736  8.7707  14.313  6.8966  10.42272       11.15741  
1 1 1 -19 1   28 o 32.474  6.7212  652.913    228.614  635.118    323.697  670.624    322.922  30.622  9.0965  31.505  9.0099  -0.8837547     12.80328  
1 1 1 -19 1   29 o 28.271  7.4969  520.737    233.301  299.159    336.243  726.441    323.974  22.946  9.0945  32.420  8.9380  -9.474155      12.75135  
1 1 1 -19 1   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 1   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 2   1  o 167.286 3.4848  15171.98   631.395  14821.42   892.219  15523.65   893.637  165.245 4.9851  169.123 4.8785  -3.877426      6.975035  
1 1 1 -19 2   2  o 111.968 3.0693  6795.19    372.219  7116.39    521.183  6460.80    531.771  114.540 4.2011  109.124 4.4992  5.416382       6.155626  
1 1 1 -19 2   3  o 63.079  3.4521  2163.61    234.957  2193.83    324.530  2130.32    340.612  63.404  4.7605  62.440  5.0805  0.9636803      6.962337  
1 1 1 -19 2   4  o 272.215 4.8735  40218.51   1436.90  39840.68   2032.31  40596.17   2031.86  270.628 6.9334  273.193 6.8668  -2.565552      9.758347  
1 1 1 -19 2   5  o 185.208 3.6857  18600.17   739.349  17910.63   1044.75  19291.94   1046.44  181.616 5.3111  188.507 5.1253  -6.890549      7.380846  
1 1 1 -19 2   6  o 40.304  4.4926  892.320    192.780  1039.83    262.926  720.826    283.499  43.375  5.7374  35.716  7.5640  7.659332       9.493777  
1 1 1 -19 2   7  o 243.268 4.3840  32111.40   1155.12  32773.93   1635.86  31452.57   1631.31  245.533 6.1513  240.516 6.2621  5.017288       8.777956  
1 1 1 -19 2   8  o 139.122 3.3687  10494.43   507.606  10038.37   716.813  10953.16   718.918  135.976 4.8671  142.051 4.6727  -6.074707      6.747066  
1 1 1 -19 2   9  o 222.489 4.3189  26863.71   1040.75  27539.45   1471.14  26186.66   1472.56  225.046 6.0355  219.425 6.1960  5.621033       8.649732  
1 1 1 -19 2   10 o 114.035 4.5492  7059.55    561.874  6808.20    750.378  7380.33    847.715  111.695 6.2274  116.231 6.7630  -4.535500      9.193406  
1 1 1 -19 2   11 o 139.266 4.9492  10537.10   746.537  10861.76   992.565  10114.21   1132.81  141.232 6.4887  135.915 7.7271  5.316986       10.09011  
1 1 1 -19 2   12 o 139.622 4.6478  10590.36   702.863  10590.36   702.863  0.0000     0.0000   139.622 4.6478  ?       ?       0.000000       4.647788  
1 1 1 -19 2   13 o 136.723 4.6554  10159.81   689.391  10159.81   689.391  0.0000     0.0000   136.723 4.6554  ?       ?       0.000000       4.655380  
1 1 1 -19 2   14 o 190.982 3.8221  19809.03   790.608  19085.17   1117.09  20535.49   1119.09  187.173 5.5103  194.193 5.3206  -7.020370      7.659773  
1 1 1 -19 2   15 o 217.436 5.9532  25819.18   1402.01  0.0000     0.0000   25819.18   1402.01  ?       ?       217.436 5.9532  0.000000       5.953175  
1 1 1 -19 2   16 o 43.020  6.5187  1036.48    294.229  0.0000     0.0000   1036.48    294.229  ?       ?       43.020  6.5187  0.000000       6.518743  
1 1 1 -19 2   17 o 82.502  4.1558  3717.73    370.168  0.0000     0.0000   3717.73    370.168  ?       ?       82.502  4.1558  0.000000       4.155829  
1 1 1 -19 2   18 o 65.714  4.3419  2367.28    307.293  0.0000     0.0000   2367.28    307.293  ?       ?       65.714  4.3419  0.000000       4.341919  
1 1 1 -19 2   19 o 19.671  7.2873  170.363    206.181  0.0000     0.0000   170.363    206.181  ?       ?       19.671  7.2873  0.000000       7.287292  
1 1 1 -19 2   20 o 83.084  3.1023  3758.70    279.166  3941.90    407.556  3596.77    383.171  84.726  4.4568  80.940  4.3872  3.786713       6.253869  
1 1 1 -19 2   21 o 53.616  3.9959  1581.88    230.383  1515.13    338.465  1639.50    314.478  51.909  6.1390  54.234  5.4264  -2.325890      8.193494  
1 1 1 -19 2   22 o 74.294  2.8840  3008.13    232.072  3444.14    461.548  2860.60    268.480  78.685  5.4492  72.355  3.4259  6.329849       6.436673  
1 1 1 -19 2   23 o 45.807  4.4860  1167.32    219.711  1265.31    311.815  1070.69    309.634  47.145  6.2613  43.096  6.8637  4.049522       9.290550  
1 1 1 -19 2   24 o 41.793  5.0965  984.859    225.924  1114.04    309.362  837.231    330.715  43.890  6.7217  37.310  8.3878  6.580612       10.74878  
1 1 1 -19 2   25 o 43.942  4.8407  1087.69    226.566  1087.48    321.882  1087.89    318.964  43.000  7.1632  43.042  7.0888  -0.4127502E-01 10.07786  
1 1 1 -19 2   26 o 40.943  5.2394  956.368    227.018  706.042    322.273  1202.94    319.844  33.707  8.7505  45.311  6.7210  -11.60415      11.03377  
1 1 1 -19 2   27 o 19.883  7.3901  200.212    212.382  220.098    301.996  180.754    298.738  21.939  8.6431  21.137  8.5064  0.8023529      12.12688  
1 1 1 -19 2   28 o 15.416  6.8008  -13.3835   221.895  2.8793     303.336  -32.1031   325.443  17.922  7.9265  18.002  8.0697  -0.7949829E-01 11.31144  
1 1 1 -19 2   29 o 37.535  7.8326  918.365    308.134  725.259    386.311  1256.08    510.880  31.528  10.043  40.377  11.258  -8.849443      15.08670  
1 1 1 -19 2   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 2   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 2   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 3   1  o 168.720 3.5124  15433.57   641.855  15092.17   904.608  15779.72   910.864  166.745 5.0088  170.507 4.9322  -3.761902      7.029571  
1 1 1 -19 3   2  o 24.711  6.2129  344.810    166.109  431.775    239.943  264.774    230.187  27.756  7.7073  22.929  7.7752  4.827169       10.94787  
1 1 1 -19 3   3  o 189.126 3.7837  19396.14   775.074  19994.59   1093.72  18792.42   1098.54  191.903 5.2620  186.027 5.4521  5.875916       7.577260  
1 1 1 -19 3   4  f 178.945 3.5664  17361.83   691.225  16280.18   973.682  18460.79   981.443  173.167 5.1914  184.423 4.9134  -11.25699      7.147839  
1 1 1 -19 3   5  o 400.750 6.8084  87356.68   2955.21  89543.44   4178.04  85167.27   4180.57  404.884 9.5273  394.777 9.7772  10.10739       13.65148  
1 1 1 -19 3   6  o 75.386  3.1925  3080.70    260.672  2979.69    373.540  3176.58    363.940  73.949  4.6880  76.388  4.4177  -2.438843      6.441507  
1 1 1 -19 3   7  f 145.328 3.3022  11450.40   519.779  11184.62   729.641  11724.26   740.639  143.550 4.6928  146.975 4.6526  -3.425079      6.608253  
1 1 1 -19 3   8  o 210.453 4.0585  24027.92   925.094  24240.96   1302.81  23811.26   1313.82  211.203 5.6952  209.310 5.7953  1.893127       8.125325  
1 1 1 -19 3   9  o 165.393 5.0219  14856.10   899.612  14519.42   1246.65  15221.93   1299.48  163.285 7.0490  167.171 7.1769  -3.886581      10.05966  
1 1 1 -19 3   10 o 100.715 4.5538  5506.76    496.754  4232.47    623.370  7723.93    822.263  87.935  6.5931  118.966 6.4050  -31.03151      9.192000  
1 1 1 -19 3   11 o 49.265  6.4869  1344.07    337.716  1069.63    413.515  1893.76    585.230  43.414  9.0857  58.034  9.6494  -14.61985      13.25370  
1 1 1 -19 3   12 o 197.252 5.5242  21164.64   1180.21  21164.64   1180.21  0.0000     0.0000   197.252 5.5242  ?       ?       0.000000       5.524197  
1 1 1 -19 3   13 o 159.753 3.6290  13851.31   627.922  13044.10   729.327  16163.77   1234.43  154.954 4.3456  172.133 6.6211  -17.17963      7.919823  
1 1 1 -19 3   14 o 92.101  3.1752  4602.88    316.747  4592.46    438.266  4614.29    458.302  91.913  4.4024  92.116  4.5935  -0.2027130     6.362519  
1 1 1 -19 3   15 o 124.872 3.1861  8464.85    430.911  8483.08    609.539  8446.64    609.263  124.855 4.5074  124.586 4.5151  0.2694550      6.379843  
1 1 1 -19 3   16 o 170.321 4.1000  15785.89   756.351  16368.62   1329.86  15507.27   919.560  172.605 7.1135  168.605 5.0354  3.999100       8.715361  
1 1 1 -19 3   17 o 144.352 4.6162  11369.27   721.739  0.0000     0.0000   11369.27   721.739  ?       ?       144.352 4.6162  0.000000       4.616236  
1 1 1 -19 3   18 o 41.653  5.4655  967.109    240.623  0.0000     0.0000   967.109    240.623  ?       ?       41.653  5.4655  0.000000       5.465512  
1 1 1 -19 3   19 o 41.108  5.5278  944.836    239.882  0.0000     0.0000   944.836    239.882  ?       ?       41.108  5.5278  0.000000       5.527804  
1 1 1 -19 3   20 o 46.931  5.4181  1227.89    270.345  0.0000     0.0000   1227.89    270.345  ?       ?       46.931  5.4181  0.000000       5.418089  
1 1 1 -19 3   21 f 55.741  2.7136  1690.94    163.828  2273.33    379.933  1557.92    181.576  63.908  5.5437  53.366  3.1555  10.54288       6.378855  
1 1 1 -19 3   22 o 27.827  7.1771  451.939    217.728  622.205    358.501  352.434    274.062  32.407  9.5596  25.349  8.4844  7.057289       12.78169  
1 1 1 -19 3   23 o 45.197  5.0249  1144.31    241.823  1627.51    391.372  845.904    307.557  53.286  6.9463  37.901  7.7535  15.38558       10.41003  
1 1 1 -19 3   24 o 55.255  4.4530  1698.24    264.235  1952.78    430.081  1543.91    334.897  58.231  6.9568  52.089  6.0487  6.142258       9.218647  
1 1 1 -19 3   25 o 68.757  3.6026  2608.05    267.352  3077.76    380.473  2149.92    375.757  74.215  4.7583  61.551  5.7012  12.66433       7.425975  
1 1 1 -19 3   26 o 70.498  3.6172  2748.20    275.269  2745.16    391.061  2751.19    387.542  69.692  5.2187  69.799  5.1629  -0.1076660     7.340948  
1 1 1 -19 3   27 o 43.602  5.0516  1089.76    234.149  1174.41    333.743  1007.70    328.590  44.086  7.2409  40.456  7.7815  3.630245       10.62931  
1 1 1 -19 3   28 f 19.096  7.5299  168.975    229.406  115.283    347.791  210.327    305.220  20.466  8.7731  21.255  8.5827  -0.7897339     12.27316  
1 1 1 -19 3   29 o 22.281  8.5845  287.547    292.621  64.818     338.791  941.762    580.634  19.306  8.4635  33.624  12.266  -14.31788      14.90286  
1 1 1 -19 3   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 3   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 3   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 4   1  o 344.273 6.8614  64466.32   2558.51  63136.11   4430.39  65131.92   3133.90  339.171 12.060  345.681 8.3703  -6.509674      14.68024  
1 1 1 -19 4   2  f 146.615 3.2993  11652.85   523.927  11680.32   734.073  11624.33   748.014  146.717 4.6194  146.359 4.7187  0.3582916      6.603411  
1 1 1 -19 4   3  o 195.562 3.8432  20739.72   814.051  20115.42   1145.97  21375.66   1156.59  192.459 5.4975  198.408 5.3821  -5.948730      7.693446  
1 1 1 -19 4   4  o 182.289 3.6932  18018.36   729.175  18413.91   1024.27  17611.90   1038.29  184.169 5.1348  180.098 5.3228  4.071915       7.395871  
1 1 1 -19 4   5  o 270.833 4.7565  39808.68   1395.27  38859.60   1972.20  40759.69   1974.20  267.283 6.8126  273.766 6.6580  -6.483612      9.525742  
1 1 1 -19 4   6  f 47.569  3.9700  1235.81    202.670  1139.31    273.844  1352.68    301.367  45.444  5.6883  49.573  5.7177  -4.128941      8.065247  
1 1 1 -19 4   7  o 252.663 4.6202  34647.41   1264.37  35319.46   1791.55  33980.51   1784.66  254.832 6.4909  249.938 6.5925  4.893860       9.251636  
1 1 1 -19 4   8  o 28.101  8.4358  434.813    277.307  341.117    342.011  614.617    473.781  26.759  9.4570  34.099  11.145  -7.340561      14.61658  
1 1 1 -19 4   9  o 161.810 4.8874  14217.34   856.557  12986.16   1184.33  15567.65   1240.31  154.418 7.0812  169.112 6.7715  -14.69360      9.797797  
1 1 1 -19 4   10 o 311.585 7.7926  52957.29   2629.85  52330.23   3698.85  53598.31   3739.83  308.609 11.066  312.330 11.055  -3.721130      15.64201  
1 1 1 -19 4   11 o 360.330 8.8481  71041.57   3453.20  71041.57   3453.20  0.0000     0.0000   360.330 8.8481  ?       ?       0.000000       8.848123  
1 1 1 -19 4   12 o 171.965 3.6391  16045.81   677.806  15979.83   785.732  16237.75   1340.03  171.553 4.2287  172.509 7.1719  -0.9565277     8.325716  
1 1 1 -19 4   13 o 96.490  3.2541  5051.05    340.086  5130.12    399.899  4844.42    646.442  97.212  3.7981  94.046  6.3841  3.165192       7.428432  
1 1 1 -19 4   14 o 40.740  4.3406  912.287    188.579  878.500    284.302  938.831    251.993  39.534  6.8900  41.100  5.8238  -1.565414      9.021561  
1 1 1 -19 4   15 o 135.470 3.1194  9961.87    457.698  10852.76   659.576  9134.43    635.654  141.249 4.3113  129.555 4.5300  11.69351       6.253654  
1 1 1 -19 4   16 o 154.003 3.3496  12885.50   558.713  13869.18   798.799  11943.35   781.756  159.540 4.6227  147.998 4.8769  11.54166       6.719677  
1 1 1 -19 4   17 f 96.427  3.0576  5052.07    319.337  5682.35    486.583  4575.21    423.237  102.085 4.4007  91.620  4.2650  10.46431       6.128372  
1 1 1 -19 4   18 o 97.405  4.1343  5175.55    436.172  0.0000     0.0000   5175.55    436.172  ?       ?       97.405  4.1343  0.000000       4.134334  
1 1 1 -19 4   19 o 33.694  6.4926  647.741    228.349  0.0000     0.0000   647.741    228.349  ?       ?       33.694  6.4926  0.000000       6.492592  
1 1 1 -19 4   20 o 25.128  7.7412  354.888    231.474  0.0000     0.0000   354.888    231.474  ?       ?       25.128  7.7412  0.000000       7.741168  
1 1 1 -19 4   21 o 66.689  4.8630  2459.23    348.838  0.0000     0.0000   2459.23    348.838  ?       ?       66.689  4.8630  0.000000       4.862967  
1 1 1 -19 4   22 o 41.258  6.8457  977.408    295.185  0.0000     0.0000   977.408    295.185  ?       ?       41.258  6.8457  0.000000       6.845654  
1 1 1 -19 4   23 o 54.791  4.6159  1668.03    271.377  1605.56    429.511  1709.53    350.114  52.561  7.7797  55.015  5.9716  -2.453999      9.807339  
1 1 1 -19 4   24 o 42.018  2.5181  965.934    114.073  904.010    122.445  1372.89    313.895  40.594  2.8020  49.090  6.0305  -8.495422      6.649682  
1 1 1 -19 4   25 f 66.144  4.1243  2427.96    293.997  2638.91    487.760  2307.59    368.448  67.646  6.7472  63.944  5.3697  3.702778       8.623132  
1 1 1 -19 4   26 o 29.337  7.7815  524.063    251.314  675.303    444.541  453.021    304.674  32.619  10.802  27.441  8.9358  5.178247       14.01906  
1 1 1 -19 4   27 o 32.028  1.7126  560.074    59.192   570.045    60.320   300.823    307.571  32.310  1.7300  23.623  8.8709  8.686579       9.038008  
1 1 1 -19 4   28 o 28.083  7.6658  507.763    239.700  814.563    368.640  283.035    315.503  34.318  9.5617  22.749  8.8720  11.56888       13.04368  
1 1 1 -19 4   29 o 17.112  7.5309  18.036     270.541  -38.0668   333.425  126.155    462.866  17.882  8.0786  22.118  9.7865  -4.236382      12.69014  
1 1 1 -19 4   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 4   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 4   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 5   1  o 269.146 5.5859  39343.30   1628.36  38234.74   2821.31  39897.05   1994.00  264.523 9.8473  270.845 6.7973  -6.321960      11.96543  
1 1 1 -19 5   2  o 265.177 5.5222  38188.55   1586.05  36528.03   2739.81  39025.48   1945.10  258.572 9.7829  267.888 6.7038  -9.316833      11.85944  
1 1 1 -19 5   3  o 246.037 4.5221  32844.71   1205.07  32518.31   1702.32  33172.59   1706.14  244.576 6.4263  247.031 6.3767  -2.455460      9.053113  
1 1 1 -19 5   4  o 172.379 3.5187  16110.73   656.952  15640.42   923.898  16591.72   934.332  169.742 5.0253  174.835 4.9340  -5.093384      7.042617  
1 1 1 -19 5   5  o 304.506 5.3128  50350.43   1752.23  51119.25   2479.23  49583.11   2476.82  306.419 7.4702  301.757 7.5782  4.662384       10.64110  
1 1 1 -19 5   6  o 177.601 3.6177  17103.65   695.906  16562.77   977.671  17659.13   990.779  174.653 5.1683  180.350 5.0721  -5.696609      7.241401  
1 1 1 -19 5   7  o 174.098 5.0608  16457.55   954.302  15245.13   1331.86  17736.71   1368.04  167.320 7.3492  180.522 6.9968  -13.20221      10.14722  
1 1 1 -19 5   8  o 136.160 4.7171  10064.35   695.655  10894.77   958.188  9138.79    1011.59  141.538 6.2504  129.337 7.2505  12.20071       9.572694  
1 1 1 -19 5   9  o 113.998 4.6027  7054.56    568.301  6650.25    737.594  7645.21    891.502  110.405 6.1932  118.287 6.9895  -7.882080      9.338620  
1 1 1 -19 5   10 o 168.423 4.1364  15393.36   754.569  14445.61   1281.99  15895.74   933.375  162.809 7.2700  171.065 5.0376  -8.256241      8.844831  
1 1 1 -19 5   11 o 231.458 4.3370  29085.06   1087.26  28873.25   1259.18  29705.71   2155.50  230.513 5.0434  233.081 8.5383  -2.567902      9.916579  
1 1 1 -19 5   12 o 266.600 4.8366  38623.86   1396.60  39399.56   1615.50  36329.16   2778.57  269.119 5.5423  257.126 9.9771  11.99350       11.41316  
1 1 1 -19 5   13 o 88.384  3.1072  4237.33    297.446  4055.44    354.064  4673.58    548.341  86.432  3.7821  92.500  5.4979  -6.068565      6.673176  
1 1 1 -19 5   14 o 59.448  3.3551  1924.24    215.149  2242.08    262.508  1273.86    375.511  64.140  3.7956  47.672  7.5220  16.46836       8.425413  
1 1 1 -19 5   15 o 47.641  3.6833  1240.48    188.581  1527.41    296.606  1045.80    244.321  52.674  5.2697  43.482  5.2972  9.191326       7.471923  
1 1 1 -19 5   16 o 73.505  3.0994  2934.20    246.755  2964.75    366.969  2908.98    333.374  73.618  4.6258  72.979  4.2358  0.6389847      6.272130  
1 1 1 -19 5   17 o 27.092  6.0742  418.314    173.839  97.054     292.326  594.083    216.227  20.531  8.3599  32.340  6.3996  -11.80864      10.52817  
1 1 1 -19 5   18 o 129.627 3.1616  9138.68    443.892  9295.97    638.630  8991.66    617.422  130.447 4.5201  128.313 4.4426  2.134064       6.337809  
1 1 1 -19 5   19 o 122.993 4.4067  8271.51    587.038  0.0000     0.0000   8271.51    587.038  ?       ?       122.993 4.4067  0.000000       4.406725  
1 1 1 -19 5   20 o 29.010  8.6642  482.934    293.078  0.0000     0.0000   482.934    293.078  ?       ?       29.010  8.6642  0.000000       8.664203  
1 1 1 -19 5   21 o 37.866  7.1582  827.223    282.818  0.0000     0.0000   827.223    282.818  ?       ?       37.866  7.1582  0.000000       7.158176  
1 1 1 -19 5   22 o 73.465  4.7365  2984.95    374.876  0.0000     0.0000   2984.95    374.876  ?       ?       73.465  4.7365  0.000000       4.736474  
1 1 1 -19 5   23 f 85.208  4.7965  4025.68    440.863  0.0000     0.0000   4025.68    440.863  ?       ?       85.208  4.7965  0.000000       4.796465  
1 1 1 -19 5   24 o 19.602  8.0476  100.177    273.711  0.0000     0.0000   100.177    273.711  ?       ?       19.602  8.0476  0.000000       8.047593  
1 1 1 -19 5   25 o 85.923  3.6432  4063.96    339.048  4242.42    546.016  3951.97    432.542  86.511  5.8619  84.124  4.7668  2.386391       7.555384  
1 1 1 -19 5   26 f 43.218  5.7814  1075.50    263.846  985.450    463.864  1118.57    320.794  38.874  10.686  43.491  7.0517  -4.617088      12.80288  
1 1 1 -19 5   27 o ?       ?       -258.6932  39.288   -270.4007  39.643   386.566    294.307  ?       ?       25.378  8.7860  0.000000       8.786016  
1 1 1 -19 5   28 o 13.701  6.4217  -182.6400  239.915  -71.1902   419.571  -236.7837  292.442  19.614  8.9401  14.802  6.9851  4.811833       11.34534  
1 1 1 -19 5   29 o 19.347  8.0173  148.491    275.049  131.076    341.013  180.911    465.283  20.267  8.6877  22.766  9.9508  -2.498283      13.20961  
1 1 1 -19 5   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 5   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 5   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 6   1  o 283.630 5.8328  43703.77   1791.83  42583.43   3100.30  44265.69   2195.68  279.049 10.258  285.229 7.1073  -6.179596      12.47940  
1 1 1 -19 6   2  o 333.733 6.7226  60569.88   2430.00  59240.81   4207.88  61234.88   2976.48  328.618 11.822  335.219 8.1979  -6.601379      14.38655  
1 1 1 -19 6   3  o 120.590 3.6084  7884.75    471.292  8223.66    575.481  7194.52    821.268  123.122 4.3154  114.836 6.6311  8.285896       7.911702  
1 1 1 -19 6   4  o 233.522 4.3581  29585.06   1102.28  28962.52   1556.03  30212.18   1561.71  230.838 6.2236  235.780 6.1154  -4.942230      8.725301  
1 1 1 -19 6   5  o 267.678 4.8392  38890.14   1403.00  40743.55   1983.58  37034.64   1984.71  273.702 6.6912  260.890 7.0237  12.81168       9.700768  
1 1 1 -19 6   6  o 102.318 4.4323  5680.51    491.190  4965.39    646.024  6660.38    756.212  95.362  6.2900  110.499 6.3451  -15.13707      8.934439  
1 1 1 -19 6   7  o 217.107 5.7014  25611.69   1340.68  22907.14   1869.84  28473.12   1923.31  204.920 8.4246  228.588 7.7683  -23.66748      11.45950  
1 1 1 -19 6   8  o 82.720  4.7420  3726.76    423.083  3426.44    528.615  4262.01    705.706  79.135  6.2174  88.137  7.4627  -9.001236      9.713276  
1 1 1 -19 6   9  o 103.522 3.6729  5812.56    411.825  4899.21    657.312  6402.77    528.389  94.674  6.4486  108.610 4.4917  -13.93520      7.858730  
1 1 1 -19 6   10 o 113.029 2.9039  6925.66    355.505  7456.40    451.660  6061.42    576.354  117.250 3.5565  105.634 5.0375  11.61601       6.166461  
1 1 1 -19 6   11 o 156.873 3.4569  13348.40   587.354  14225.43   682.601  10847.05   1152.78  161.910 3.8925  140.785 7.5880  21.12523       8.528128  
1 1 1 -19 6   12 o 187.860 3.7576  19152.08   764.559  19752.04   887.316  17422.58   1506.53  190.718 4.2955  178.562 7.7897  12.15590       8.895520  
1 1 1 -19 6   13 f 93.241  3.0839  4715.86    311.446  5045.95    372.934  3954.99    566.201  96.423  3.5709  84.959  6.1958  11.46399       7.151164  
1 1 1 -19 6   14 o 161.907 3.4371  14229.84   602.744  14947.74   701.575  12206.60   1177.79  165.884 3.9048  149.341 7.2815  16.54311       8.262398  
1 1 1 -19 6   15 o 68.773  3.0961  2567.41    230.627  2633.01    348.896  2516.50    307.351  69.389  4.6695  67.894  4.2002  1.495857       6.280597  
1 1 1 -19 6   16 o 146.018 3.2852  11583.13   519.558  11811.12   743.764  11365.85   726.088  147.212 4.6647  144.415 4.6420  2.797104       6.580861  
1 1 1 -19 6   17 o 114.050 3.0679  7067.93    378.968  7516.87    555.024  6675.84    518.701  117.415 4.3644  110.658 4.3278  6.757011       6.146327  
1 1 1 -19 6   18 o 81.329  3.0339  3596.20    267.248  3748.82    395.250  3467.65    362.732  82.737  4.4267  79.606  4.2221  3.131760       6.117306  
1 1 1 -19 6   19 o 36.884  4.7269  756.706    184.490  1015.71    273.768  541.232    249.705  42.500  6.1241  30.588  7.5765  11.91207       9.742090  
1 1 1 -19 6   20 o 105.406 3.1696  6051.69    361.856  5851.46    504.567  6263.74    519.231  103.345 4.5078  106.930 4.4832  -3.585495      6.357611  
1 1 1 -19 6   21 o 50.992  5.6968  1455.66    309.254  0.0000     0.0000   1455.66    309.254  ?       ?       50.992  5.6968  0.000000       5.696786  
1 1 1 -19 6   22 o 23.950  8.3824  299.087    268.236  0.0000     0.0000   299.087    268.236  ?       ?       23.950  8.3824  0.000000       8.382384  
1 1 1 -19 6   23 f 36.224  7.6996  773.811    292.783  0.0000     0.0000   773.811    292.783  ?       ?       36.224  7.6996  0.000000       7.699597  
1 1 1 -19 6   24 o 46.373  6.4562  1236.04    315.482  0.0000     0.0000   1236.04    315.482  ?       ?       46.373  6.4562  0.000000       6.456249  
1 1 1 -19 6   25 o 17.306  7.6001  -32.6514   274.247  0.0000     0.0000   -32.6514   274.247  ?       ?       17.306  7.6001  0.000000       7.600054  
1 1 1 -19 6   26 o 16.808  7.5160  -74.2838   280.454  0.0000     0.0000   -74.2838   280.454  ?       ?       16.808  7.5160  0.000000       7.515973  
1 1 1 -19 6   27 o 21.131  1.3029  243.495    29.675   101.992    416.403  244.217    29.750   22.167  9.5527  21.162  1.3043  1.005154       9.641307  
1 1 1 -19 6   28 o 27.994  7.9431  509.924    252.001  700.398    425.013  406.656    312.944  31.201  10.565  25.247  9.0329  5.954460       13.90021  
1 1 1 -19 6   29 o 12.883  6.3343  -519.3735  308.201  -533.8401  433.349  -504.5666  438.418  15.996  7.7885  16.291  7.9098  -0.2956944     11.10070  
1 1 1 -19 6   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 6   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 6   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 7   1  o 136.737 3.7240  10138.53   551.520  10594.57   669.484  9175.46    972.898  139.741 4.4233  129.688 6.9515  10.05299       8.239506  
1 1 1 -19 7   2  o 227.911 4.9567  28194.42   1223.58  26441.84   2118.36  29071.86   1498.90  220.157 8.8838  231.309 5.9829  -11.15182      10.71057  
1 1 1 -19 7   3  o 55.633  4.2835  1688.91    256.121  1561.85    408.358  1771.30    328.840  53.082  7.2956  56.858  5.4047  -3.776447      9.079483  
1 1 1 -19 7   4  f 326.468 5.7009  57896.80   2015.81  57866.84   2846.74  57926.93   2854.86  325.883 8.0652  326.048 8.0841  -0.1644592     11.41931  
1 1 1 -19 7   5  o 292.487 7.2407  46563.44   2293.81  42863.06   3233.32  50312.82   3254.66  279.800 10.669  303.370 9.9052  -23.56934      14.55831  
1 1 1 -19 7   6  o 133.574 4.4901  9681.79    649.598  8899.24    872.602  10654.57   972.901  127.938 6.2972  139.978 6.4171  -12.03951      8.990758  
1 1 1 -19 7   7  o 136.125 4.6524  10057.41   685.939  9552.54    924.008  10677.18   1023.77  132.529 6.4372  140.084 6.7476  -7.554855      9.325586  
1 1 1 -19 7   8  o 279.871 4.9515  42532.14   1500.94  42541.98   2122.58  42522.29   2122.71  279.528 7.0108  279.463 7.0129  0.6515503E-01  9.916257  
1 1 1 -19 7   9  o 93.642  3.3300  4754.75    337.743  5212.70    481.617  4311.62    473.761  97.995  4.5376  88.969  4.9358  9.026268       6.704640  
1 1 1 -19 7   10 o 92.759  3.2442  4665.54    325.937  4387.89    380.584  5429.50    631.304  89.930  3.9073  99.750  5.8691  -9.819603      7.050779  
1 1 1 -19 7   11 o 91.106  3.1048  4500.90    306.373  4425.89    364.268  4682.23    566.380  90.318  3.7237  92.611  5.6738  -2.292892      6.786610  
1 1 1 -19 7   12 o 193.200 3.8581  20259.07   807.328  19770.16   934.010  21703.62   1605.48  190.775 4.5202  199.369 7.4349  -8.593597      8.701175  
1 1 1 -19 7   13 o 139.241 3.2635  10518.91   492.172  10476.90   573.628  10636.14   958.179  138.917 3.8125  139.662 6.3343  -0.7454224     7.393117  
1 1 1 -19 7   14 o 114.789 3.0731  7149.41    382.077  7259.82    447.547  6852.66    733.716  115.633 3.5734  111.909 6.0761  3.723892       7.049001  
1 1 1 -19 7   15 o 119.134 3.0531  7703.85    393.954  8183.42    569.687  7264.33    545.380  122.650 4.2884  115.549 4.3577  7.101067       6.113965  
1 1 1 -19 7   16 o 105.720 2.9764  6068.65    340.812  6445.66    497.596  5735.51    467.750  108.810 4.2222  102.643 4.2074  6.167068       5.960653  
1 1 1 -19 7   17 o 79.595  3.0827  3442.70    265.758  3994.28    404.216  3022.74    352.705  85.476  4.3809  74.323  4.4011  11.15271       6.209794  
1 1 1 -19 7   18 o 12.937  5.6713  -35.0051   152.111  -443.9678  244.693  222.566    194.191  11.923  5.8157  20.870  7.1411  -8.947488      9.209644  
1 1 1 -19 7   19 o 44.043  4.1330  1068.56    194.850  1091.74    288.983  1049.24    263.849  44.063  6.2288  43.294  5.7704  0.7688065      8.490930  
1 1 1 -19 7   20 o 15.539  6.5865  12.448     192.138  -288.0795  260.517  370.889    284.514  13.910  6.5729  26.099  8.6417  -12.18875      10.85737  
1 1 1 -19 7   21 o 87.317  3.3371  4160.26    315.598  4751.64    455.213  3612.92    437.935  93.027  4.5179  80.839  5.0266  12.18777       6.758574  
1 1 1 -19 7   22 o 65.009  3.8627  2322.99    270.755  2610.73    435.520  2141.74    345.673  68.265  5.9499  62.039  5.1921  6.225365       7.896732  
1 1 1 -19 7   23 o 86.272  4.5878  4118.95    427.147  0.0000     0.0000   4118.95    427.147  ?       ?       86.272  4.5878  0.000000       4.587776  
1 1 1 -19 7   24 o 31.798  8.3433  609.254    290.944  0.0000     0.0000   609.254    290.944  ?       ?       31.798  8.3433  0.000000       8.343263  
1 1 1 -19 7   25 o 33.857  8.2378  697.186    299.205  0.0000     0.0000   697.186    299.205  ?       ?       33.857  8.2378  0.000000       8.237765  
1 1 1 -19 7   26 o 29.146  9.1621  522.903    322.410  0.0000     0.0000   522.903    322.410  ?       ?       29.146  9.1621  0.000000       9.162128  
1 1 1 -19 7   27 o 34.273  2.0201  643.219    74.657   0.0000     0.0000   643.219    74.657   ?       ?       34.273  2.0201  0.000000       2.020072  
1 1 1 -19 7   28 o 38.538  8.1618  964.642    330.078  0.0000     0.0000   964.642    330.078  ?       ?       38.538  8.1618  0.000000       8.161831  
1 1 1 -19 7   29 o 36.425  8.4133  890.046    325.230  787.802    430.850  1025.47    495.860  32.293  10.632  36.079  11.366  -3.786407      15.56316  
1 1 1 -19 7   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 7   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 7   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 8   1  o 190.773 4.3851  19745.21   906.089  19856.29   1105.28  19517.57   1582.22  191.226 5.3365  189.312 7.7164  1.914032       9.381960  
1 1 1 -19 8   2  o 241.007 6.3184  31573.62   1649.33  31456.72   2326.81  31691.66   2338.25  240.111 8.9470  241.004 8.9577  -0.8928375     12.66057  
1 1 1 -19 8   3  o 217.780 4.8003  25740.56   1132.29  25772.58   1952.88  25724.34   1389.73  217.449 8.2918  217.592 5.8968  -0.1424561     10.17478  
1 1 1 -19 8   4  o 409.840 9.9233  91816.23   4404.94  91736.81   6224.56  91895.90   6234.51  407.742 14.095  408.090 14.105  -0.3477478     19.94023  
1 1 1 -19 8   5  o 355.825 8.6360  69063.51   3328.27  66362.66   4697.92  71785.05   4715.89  347.439 12.484  361.542 12.043  -14.10287      17.34611  
1 1 1 -19 8   6  o 119.940 4.2668  7804.83    554.289  6541.99    730.757  9515.79    850.585  109.527 6.1853  132.323 5.9349  -22.79671      8.572101  
1 1 1 -19 8   7  o 225.453 4.1791  27576.76   1020.49  27921.82   1439.11  27227.75   1447.31  226.660 5.8620  223.811 5.9705  2.849747       8.367225  
1 1 1 -19 8   8  o 70.940  3.6652  2736.64    280.653  2887.61    406.542  2599.19    387.920  72.730  5.1951  68.979  5.2312  3.751320       7.372536  
1 1 1 -19 8   9  o 203.410 3.9880  22447.63   878.613  22622.12   1240.96  22272.24   1244.14  204.017 5.6159  202.426 5.6746  1.591431       7.983693  
1 1 1 -19 8   10 o 246.957 4.5425  33111.62   1215.04  33244.35   1403.15  32713.74   2429.37  247.349 5.2375  244.521 9.1729  2.827484       10.56282  
1 1 1 -19 8   11 o 156.626 3.4307  13306.44   581.996  13457.14   676.772  12878.55   1140.35  157.468 3.9681  153.721 6.8491  3.746948       7.915585  
1 1 1 -19 8   12 o 133.979 3.2058  9736.12    465.207  9526.95    540.573  10333.33   913.402  132.492 3.7670  137.744 6.1224  -5.251511      7.188419  
1 1 1 -19 8   13 o 112.077 3.0285  6813.42    367.627  7369.48    432.326  5361.38    698.615  116.535 3.4252  98.917  6.5579  17.61795       7.398556  
1 1 1 -19 8   14 o 135.548 3.2383  9971.53    475.418  9690.72    553.294  10763.78   929.359  133.569 3.8245  140.444 6.1096  -6.874542      7.207921  
1 1 1 -19 8   15 o 75.432  3.0696  3088.63    250.786  3463.76    300.879  2234.87    453.905  79.855  3.4787  63.547  6.6955  16.30799       7.545326  
1 1 1 -19 8   16 o 96.541  3.0106  5061.09    314.803  4678.56    455.692  5410.31    435.399  92.661  4.5405  99.709  4.0317  -7.048134      6.072112  
1 1 1 -19 8   17 o 112.611 3.0724  6891.27    374.739  7127.21    548.831  6685.20    512.912  114.310 4.4328  110.736 4.2764  3.573944       6.159385  
1 1 1 -19 8   18 o 33.220  4.9062  616.490    171.216  494.956    264.447  704.207    224.661  29.351  8.0684  35.296  6.0972  -5.944681      10.11309  
1 1 1 -19 8   19 o 53.386  3.8216  1562.59    219.513  1291.84    312.977  1824.74    307.961  48.013  6.1605  57.477  4.9966  -9.463425      7.932059  
1 1 1 -19 8   20 o 105.796 3.1399  6096.25    359.797  5771.61    508.822  6420.90    508.838  102.611 4.5783  108.296 4.3381  -5.684647      6.307090  
1 1 1 -19 8   21 o 34.209  6.0304  667.232    215.274  551.630    301.451  787.541    307.526  30.689  8.6806  36.696  7.9659  -6.007292      11.78166  
1 1 1 -19 8   22 o 53.105  1.9943  1532.01    114.708  1649.74    124.117  842.643    300.335  55.101  2.0797  38.010  7.5612  17.09048       7.842038  
1 1 1 -19 8   23 o 45.890  5.1036  1180.90    249.369  1504.78    430.472  1017.31    305.929  50.688  8.1147  41.929  6.9822  8.759579       10.70507  
1 1 1 -19 8   24 f 22.276  7.7772  263.912    230.834  743.144    417.234  52.526     277.106  34.650  10.335  18.844  7.9443  15.80594       13.03571  
1 1 1 -19 8   25 o 14.391  6.8433  -325.9389  291.068  0.0000     0.0000   -325.9389  291.068  ?       ?       14.391  6.8433  0.000000       6.843255  
1 1 1 -19 8   26 o 24.187  8.7105  320.333    291.454  0.0000     0.0000   320.333    291.454  ?       ?       24.187  8.7105  0.000000       8.710538  
1 1 1 -19 8   27 o 22.744  8.6810  267.896    297.421  0.0000     0.0000   267.896    297.421  ?       ?       22.744  8.6810  0.000000       8.681030  
1 1 1 -19 8   28 o 19.167  8.3490  60.036     325.029  0.0000     0.0000   60.036     325.029  ?       ?       19.167  8.3490  0.000000       8.349031  
1 1 1 -19 8   29 o 40.493  11.234  1265.91    510.035  0.0000     0.0000   1265.91    510.035  ?       ?       40.493  11.234  0.000000       11.23435  
1 1 1 -19 8   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 8   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 8   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 9   1  o 100.753 3.3927  5503.33    370.235  5331.65    441.010  5913.19    681.414  99.144  4.1069  104.137 6.0677  -4.993652      7.326871  
1 1 1 -19 9   2  o 96.277  3.5203  5025.65    367.094  5011.20    444.427  5056.67    651.244  96.112  4.2693  96.248  6.2816  -0.1361313     7.595055  
1 1 1 -19 9   3  f 158.130 6.9911  13604.25   1197.37  0.0000     0.0000   13604.25   1197.37  ?       ?       158.130 6.9911  0.000000       6.991052  
1 1 1 -19 9   4  o 233.918 8.8506  29854.58   2242.36  0.0000     0.0000   29854.58   2242.36  ?       ?       233.918 8.8506  0.000000       8.850600  
1 1 1 -19 9   5  f 256.493 6.5391  35777.11   1816.62  33781.18   2560.45  37800.20   2577.81  248.660 9.5070  263.145 9.0445  -14.48573      13.12194  
1 1 1 -19 9   6  o 174.236 3.5697  16461.70   673.667  16416.43   945.490  16508.38   960.095  173.887 5.0202  174.368 5.0837  -0.4806519     7.144646  
1 1 1 -19 9   7  o 201.810 3.9812  22092.65   870.224  22848.79   1228.28  21330.57   1233.09  205.076 5.5299  198.120 5.7464  6.955704       7.975008  
1 1 1 -19 9   8  o 97.376  3.0098  5140.14    317.438  5182.06    474.497  5106.17    427.086  97.713  4.4834  97.014  4.0646  0.6990280      6.051600  
1 1 1 -19 9   9  o 103.091 2.9855  5761.42    333.361  5754.31    384.798  5782.80    667.416  103.010 3.4489  102.949 6.0117  0.6159210E-01  6.930774  
1 1 1 -19 9   10 o 173.661 3.5802  16358.10   673.412  16047.38   777.709  17289.13   1346.20  171.954 4.1757  178.139 6.9772  -6.184860      8.131287  
1 1 1 -19 9   11 o 93.603  3.0540  4750.88    309.620  4448.53    362.277  5570.11    596.338  90.549  3.6939  101.064 5.4682  -10.51556      6.598940  
1 1 1 -19 9   12 o 145.274 3.3679  11448.97   529.924  11152.69   616.001  12292.49   1039.38  143.333 3.9679  150.192 6.3893  -6.859070      7.521177  
1 1 1 -19 9   13 o 161.695 3.4531  14188.85   604.758  14487.26   702.515  13334.82   1188.45  163.331 3.9711  156.240 7.0229  7.091415       8.067924  
1 1 1 -19 9   14 o 183.411 3.7077  18269.81   736.541  18516.59   853.336  17548.84   1458.55  184.559 4.2689  178.959 7.5249  5.600632       8.651410  
1 1 1 -19 9   15 f 105.940 3.0471  6092.26    349.634  6062.86    410.532  6169.90    667.120  105.637 3.5881  106.130 5.8259  -0.4925156     6.842167  
1 1 1 -19 9   16 o 35.122  4.5465  683.227    168.893  683.062    269.625  683.334    216.668  34.587  7.4198  34.862  5.9518  -0.2752838     9.511946  
1 1 1 -19 9   17 o 49.539  3.7451  1343.42    199.463  1009.88    318.329  1559.02    255.936  42.219  7.2210  53.273  4.4771  -11.05432      8.496298  
1 1 1 -19 9   18 o 89.587  3.0400  4364.04    294.980  4535.36    439.298  4223.36    398.072  91.118  4.4513  87.973  4.1777  3.144714       6.104719  
1 1 1 -19 9   19 o 69.748  3.2348  2648.50    244.368  2844.32    356.808  2475.50    335.366  71.943  4.6032  67.089  4.6439  4.854843       6.538692  
1 1 1 -19 9   20 f 86.442  3.2619  4071.83    305.393  3998.90    441.795  4138.57    422.625  85.226  4.8057  86.789  4.5115  -1.563484      6.591499  
1 1 1 -19 9   21 o 153.161 3.4689  12808.64   575.445  12773.83   819.211  12842.55   808.497  152.299 4.9662  152.749 4.8869  -0.4494476     6.967420  
1 1 1 -19 9   22 o 83.733  3.6107  3835.61    327.462  3826.91    538.007  3840.73    412.716  82.686  6.0494  83.411  4.5859  -0.7253647     7.591156  
1 1 1 -19 9   23 o 63.248  4.0611  2207.93    276.732  2268.91    459.935  2173.33    346.461  63.059  6.8439  62.386  5.1741  0.6734047      8.579675  
1 1 1 -19 9   24 o 89.232  3.5093  4369.25    339.161  4822.69    538.414  4070.97    436.694  92.790  5.3804  85.555  4.7310  7.235207       7.164575  
1 1 1 -19 9   25 o 18.488  7.4212  113.405    226.732  -29.8384   387.944  187.716    279.422  20.462  9.0112  21.303  8.3378  -0.8406162     12.27681  
1 1 1 -19 9   26 o 56.748  4.3794  1802.75    267.093  1956.04    420.842  1699.35    345.622  57.821  6.8533  54.339  5.9709  3.481659       9.089485  
1 1 1 -19 9   27 o 51.419  6.2926  1558.49    343.131  0.0000     0.0000   1558.49    343.131  ?       ?       51.419  6.2926  0.000000       6.292576  
1 1 1 -19 9   28 o 66.400  5.4802  2587.19    390.603  0.0000     0.0000   2587.19    390.603  ?       ?       66.400  5.4802  0.000000       5.480157  
1 1 1 -19 9   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 9   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 9   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 9   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 10  1  o 101.992 3.0391  5638.37    335.725  5237.51    464.512  6076.77    485.776  98.254  4.3649  105.839 4.2376  -7.585281      6.083590  
1 1 1 -19 10  2  o 266.219 9.6686  38721.81   2787.89  38721.81   2787.89  0.0000     0.0000   266.219 9.6686  ?       ?       0.000000       9.668648  
1 1 1 -19 10  3  o 322.400 11.390  56985.95   3977.19  56985.95   3977.19  0.0000     0.0000   322.400 11.390  ?       ?       0.000000       11.38967  
1 1 1 -19 10  4  o 468.259 16.109  121718.50  8170.01  0.0000     0.0000   121718.50  8170.01  ?       ?       468.259 16.109  0.000000       16.10892  
1 1 1 -19 10  5  o 199.058 3.8840  21490.43   837.389  20916.82   1177.56  22077.25   1191.04  196.232 5.5404  201.612 5.4543  -5.379227      7.774710  
1 1 1 -19 10  6  o 120.957 3.1588  7931.27    413.837  8106.71    576.274  7744.46    594.668  122.232 4.3529  119.456 4.5962  2.775314       6.330254  
1 1 1 -19 10  7  o 134.143 3.2478  9755.75    471.874  9813.51    663.853  9696.76    670.863  134.466 4.5581  133.659 4.6341  0.8072205      6.500124  
1 1 1 -19 10  8  o 140.748 3.3056  10741.10   503.917  10032.31   696.011  11521.95   730.533  135.939 4.7272  145.690 4.6296  -9.750549      6.616583  
1 1 1 -19 10  9  o 105.604 2.9841  6045.75    341.324  5847.87    393.325  6649.20    686.864  103.842 3.4971  110.446 5.7618  -6.604080      6.740046  
1 1 1 -19 10  10 o 157.090 3.4309  13383.80   583.754  13168.59   675.172  14021.02   1161.79  155.780 4.0016  160.455 6.6850  -4.674545      7.791183  
1 1 1 -19 10  11 o 84.024  3.0956  3828.43    281.717  3855.75    329.225  3753.72    544.403  84.303  3.6056  82.819  6.1122  1.484230       7.096460  
1 1 1 -19 10  12 o 85.295  3.0408  3945.54    280.920  4168.29    333.494  3401.35    521.257  87.648  3.5130  78.784  6.1576  8.864372       7.089191  
1 1 1 -19 10  13 o 172.581 3.5843  16166.70   669.983  16679.79   778.441  14700.59   1315.86  175.236 4.1014  163.955 7.4100  11.28087       8.469304  
1 1 1 -19 10  14 o 156.523 3.3980  13300.16   576.058  13490.46   668.641  12752.15   1134.65  157.575 3.9177  152.691 6.8609  4.883911       7.900632  
1 1 1 -19 10  15 o 62.165  3.5241  2106.15    236.306  1964.56    291.828  2375.78    402.713  59.905  4.5313  65.719  5.7145  -5.813969      7.293035  
1 1 1 -19 10  16 o 26.566  5.8520  401.100    163.834  629.158    277.763  279.428    202.884  33.121  7.8607  22.765  7.2807  10.35647       10.71446  
1 1 1 -19 10  17 o 70.240  3.0932  2681.46    235.324  3124.05    363.533  2362.24    308.738  75.541  4.4630  65.669  4.3656  9.871956       6.243116  
1 1 1 -19 10  18 o 99.163  3.4234  5352.96    367.693  5867.16    659.882  5121.43    442.805  103.121 5.9331  96.865  4.2206  6.256332       7.281188  
1 1 1 -19 10  19 o 56.744  3.5775  1761.92    218.744  1650.79    321.607  1857.59    298.398  54.522  5.5222  58.038  4.7898  -3.515408      7.310033  
1 1 1 -19 10  20 o 130.752 3.2801  9317.26    464.522  8842.29    663.190  9774.72    650.850  126.910 4.8247  133.551 4.4995  -6.641869      6.597227  
1 1 1 -19 10  21 o 22.538  7.3979  276.451    208.675  353.034    317.500  218.212    276.875  25.997  9.1185  22.311  8.4091  3.685427       12.40406  
1 1 1 -19 10  22 f 28.416  7.4844  472.860    233.550  197.818    430.485  587.582    278.024  25.039  10.164  31.548  8.0961  -6.508989      12.99434  
1 1 1 -19 10  23 o 29.708  7.2384  520.031    230.770  481.101    409.612  538.132    279.316  29.429  10.355  30.077  8.3021  -0.6483097     13.27216  
1 1 1 -19 10  24 o 52.868  4.5700  1558.57    259.114  2243.99    432.508  1174.83    323.619  62.681  6.4634  45.012  6.8544  17.66867       9.421164  
1 1 1 -19 10  25 o 59.764  4.1380  1984.69    266.209  2648.14    419.044  1535.76    344.704  68.330  5.7145  51.662  6.2902  16.66889       8.498412  
1 1 1 -19 10  26 o 59.598  4.2523  1984.20    272.683  2260.63    429.141  1797.01    353.139  62.451  6.4366  55.906  5.9221  6.544697       8.746525  
1 1 1 -19 10  27 o 44.354  5.5901  1144.75    262.582  598.238    437.808  1451.78    328.155  30.189  10.696  49.615  6.2449  -19.42575      12.38606  
1 1 1 -19 10  28 o 19.308  7.6521  173.480    238.031  392.240    390.846  44.504     300.106  25.341  9.8769  18.374  8.0124  6.967733       12.71820  
1 1 1 -19 10  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 10  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 10  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 10  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 11  1  o 56.752  4.5837  1759.06    279.345  1777.90    363.984  1732.06    435.732  56.887  5.9979  55.932  7.3723  0.9543610      9.503949  
1 1 1 -19 11  2  o 51.369  6.1713  1454.65    336.485  1454.65    336.485  0.0000     0.0000   51.369  6.1713  ?       ?       0.000000       6.171296  
1 1 1 -19 11  3  o 315.186 11.152  54441.92   3806.94  54441.92   3806.94  0.0000     0.0000   315.186 11.152  ?       ?       0.000000       11.15162  
1 1 1 -19 11  4  o 582.912 11.276  186290.20  7119.11  182242.50  12328.08 188315.30  8720.00  569.126 19.999  584.313 13.778  -15.18695      24.28626  
1 1 1 -19 11  5  o 161.897 4.1077  14218.35   720.296  15107.08   1229.74  13754.21   888.699  166.636 6.8136  159.156 5.1554  7.479507       8.544173  
1 1 1 -19 11  6  f 121.624 3.1561  8019.11    415.756  7900.95    591.927  8134.15    584.086  120.660 4.5293  122.435 4.4046  -1.774712      6.317839  
1 1 1 -19 11  7  o 21.217  6.5142  244.691    164.069  91.452     208.249  495.470    266.405  17.999  7.1497  29.666  8.0748  -11.66716      10.78522  
1 1 1 -19 11  8  o 115.577 3.0441  7241.58    381.070  7341.53    439.316  6937.82    765.840  116.354 3.4860  112.763 6.2956  3.590050       7.196295  
1 1 1 -19 11  9  o 194.048 3.8256  20426.69   804.037  20200.99   927.653  21108.30   1612.09  192.915 4.4396  196.771 7.5641  -3.855499      8.770754  
1 1 1 -19 11  10 o 45.465  4.0269  1130.50    196.247  1270.59    230.678  763.457    373.387  48.171  4.4724  36.649  9.3702  11.52214       10.38280  
1 1 1 -19 11  11 f 143.742 3.2912  11206.31   512.392  11446.63   593.447  10502.37   1015.66  145.240 3.7725  138.817 6.7552  6.423264       7.737166  
1 1 1 -19 11  12 o 270.617 4.8874  39808.70   1432.51  40421.77   1656.15  37987.31   2854.58  272.531 5.6107  262.780 10.030  9.750763       11.49219  
1 1 1 -19 11  13 o 284.716 5.1241  44109.45   1580.14  44498.34   1826.30  42951.45   3151.45  285.747 5.9009  278.878 10.433  6.868805       11.98650  
1 1 1 -19 11  14 o 32.730  5.3038  598.343    181.585  622.078    226.699  555.854    303.314  33.174  6.5418  31.308  8.6552  1.865608       10.84930  
1 1 1 -19 11  15 o 71.744  3.2037  2794.92    248.951  2905.29    300.682  2554.35    443.921  73.008  3.8157  68.089  6.0835  4.918900       7.181162  
1 1 1 -19 11  16 o 53.536  3.5656  1565.15    205.566  1383.69    250.375  1940.45    360.085  50.165  4.6614  59.297  5.6760  -9.131844      7.344757  
1 1 1 -19 11  17 o 119.136 3.0808  7714.34    397.540  8117.20    580.524  7358.59    545.521  121.980 4.3940  116.151 4.3363  5.828583       6.173389  
1 1 1 -19 11  18 o 93.945  3.0460  4799.44    309.933  4860.08    463.893  4750.54    416.543  94.298  4.5420  93.305  4.1218  0.9932632      6.133407  
1 1 1 -19 11  19 o 12.296  5.6277  -113.1888  168.486  -516.0657  271.850  138.083    214.692  12.365  6.0525  19.086  7.3532  -6.720672      9.523768  
1 1 1 -19 11  20 o 70.613  3.4834  2719.80    266.412  2628.27    386.748  2802.46    367.514  68.919  5.2198  71.296  4.7870  -2.377220      7.082478  
1 1 1 -19 11  21 o 151.234 3.4661  12489.29   567.755  12419.48   812.088  12556.05   794.068  150.146 4.9936  151.040 4.8539  -0.8939972     6.964003  
1 1 1 -19 11  22 o 42.067  5.8817  1001.99    260.663  1011.55    443.031  996.926    322.365  40.845  10.077  41.444  7.4556  -0.5991669     12.53492  
1 1 1 -19 11  23 o 27.533  7.5660  446.634    232.590  367.246    426.554  480.225    277.470  27.517  10.421  28.522  8.4091  -1.005060      13.39105  
1 1 1 -19 11  24 o 32.188  7.1060  612.516    241.109  647.760    381.183  589.011    311.295  32.545  9.9176  31.190  8.8208  1.355314       13.27271  
1 1 1 -19 11  25 o 42.451  2.3760  985.875    108.805  932.404    392.460  990.327    113.244  38.678  9.4491  42.530  2.4690  -3.851654      9.766349  
1 1 1 -19 11  26 o 32.358  7.1612  630.725    244.339  352.921    415.440  777.643    302.118  26.339  10.206  35.619  8.0239  -9.279287      12.98248  
1 1 1 -19 11  27 o 17.993  7.3934  101.473    231.269  -247.2112  383.822  300.222    289.779  17.490  8.1736  23.263  8.6350  -5.773434      11.88996  
1 1 1 -19 11  28 o 23.300  7.9664  339.132    241.669  322.205    398.093  349.010    304.120  24.225  9.7949  23.887  8.8502  0.3383923      13.20096  
1 1 1 -19 11  29 o 29.576  10.664  653.916    437.030  653.916    437.030  0.0000     0.0000   29.576  10.664  ?       ?       0.000000       10.66446  
1 1 1 -19 11  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 11  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 11  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 12  1  o 212.865 5.7292  24616.59   1320.90  24099.71   1869.51  25131.83   1866.55  210.267 8.2089  214.753 8.0247  -4.486298      11.47965  
1 1 1 -19 12  2  o 353.730 8.6405  68250.24   3310.41  66090.99   4678.12  70415.98   4685.15  346.753 12.456  358.077 12.080  -11.32312      17.35184  
1 1 1 -19 12  3  o 332.799 6.7405  60244.10   2429.66  63020.88   2974.06  54672.01   4212.97  340.058 8.0747  315.414 12.332  24.64343       14.74048  
1 1 1 -19 12  4  o 141.533 4.8481  10873.26   743.198  11248.27   1002.79  10416.25   1107.01  143.827 6.4372  138.116 7.4273  5.710693       9.828694  
1 1 1 -19 12  5  o 252.567 5.3629  34645.70   1467.05  35212.79   2531.76  34359.03   1800.05  253.914 9.2059  251.332 6.6125  2.582275       11.33465  
1 1 1 -19 12  6  f 116.218 3.0496  7321.62    383.877  8102.54    542.937  6541.00    542.832  122.212 4.1017  109.783 4.5652  12.42897       6.137216  
1 1 1 -19 12  7  o 49.877  3.6701  1356.47    196.872  1119.81    257.473  1689.60    305.479  45.085  5.3788  55.542  5.1361  -10.45649      7.437170  
1 1 1 -19 12  8  o 134.134 3.1701  9754.55    460.560  10010.08   530.963  8978.09    925.559  135.857 3.6084  128.265 6.6855  7.592453       7.597116  
1 1 1 -19 12  9  o 174.587 3.6231  16532.50   685.118  16920.25   791.133  15369.59   1370.09  176.582 4.1365  167.904 7.5339  8.677261       8.594748  
1 1 1 -19 12  10 o 140.219 3.2175  10661.92   488.650  10553.02   564.343  10988.16   976.789  139.469 3.7359  142.074 6.3477  -2.605072      7.365487  
1 1 1 -19 12  11 o 39.901  4.3870  874.890    186.461  898.583    216.944  807.900    364.786  40.346  5.0769  37.663  9.0541  2.683159       10.38039  
1 1 1 -19 12  12 o 167.876 3.5360  15292.73   642.940  15243.49   744.531  15437.15   1275.01  167.548 4.1027  168.179 6.9996  -0.6306915     8.113377  
1 1 1 -19 12  13 o 67.135  3.3953  2452.25    246.085  2540.61    298.730  2265.68    434.074  68.270  4.0582  64.139  6.3310  4.130699       7.520048  
1 1 1 -19 12  14 f 94.805  3.0650  4877.56    314.731  4793.83    371.634  5089.94    591.847  93.947  3.6523  96.439  5.6913  -2.491905      6.762425  
1 1 1 -19 12  15 o 49.436  3.8134  1336.41    202.612  1545.93    250.124  936.548    345.537  53.116  4.3870  40.538  8.1524  12.57819       9.257792  
1 1 1 -19 12  16 o 75.296  3.0774  3079.61    250.973  3208.39    299.285  2774.49    460.682  76.812  3.5974  70.912  6.0561  5.899139       7.043983  
1 1 1 -19 12  17 f 132.404 3.1887  9531.16    457.280  9690.12    662.753  9386.73    631.744  133.223 4.5931  131.154 4.4472  2.068893       6.393300  
1 1 1 -19 12  18 o 68.363  3.1521  2542.32    233.396  2869.44    366.675  2319.52    302.616  72.279  4.7095  65.031  4.3210  7.248703       6.391418  
1 1 1 -19 12  19 o 55.110  3.9090  1665.88    231.815  1870.56    339.112  1486.33    317.616  58.082  5.4544  51.640  5.7776  6.442089       7.945530  
1 1 1 -19 12  20 o 89.231  3.1735  4338.09    306.702  3804.08    432.950  4876.03    434.538  83.094  4.8314  94.375  4.2511  -11.28145      6.435417  
1 1 1 -19 12  21 o 43.084  4.9204  1034.72    225.492  976.151    339.440  1080.99    301.678  40.944  7.9408  43.578  6.5981  -2.633511      10.32429  
1 1 1 -19 12  22 o 82.393  3.6711  3716.20    327.607  4088.01    506.637  3449.02    429.478  85.689  5.4877  78.846  5.0558  6.842667       7.461616  
1 1 1 -19 12  23 o 66.255  4.0127  2421.99    286.595  2210.51    479.118  2539.82    357.634  61.994  7.2737  67.544  4.9225  -5.550072      8.782833  
1 1 1 -19 12  24 o 53.906  4.4939  1618.98    259.991  1521.88    428.602  1675.51    327.031  50.733  8.0703  54.422  5.6295  -3.689331      9.839758  
1 1 1 -19 12  25 o 32.730  6.9079  635.127    237.191  991.358    404.819  448.902    292.694  39.866  9.5087  27.447  8.7415  12.41925       12.91621  
1 1 1 -19 12  26 o 33.910  6.9203  687.787    245.564  531.910    418.385  769.705    303.301  29.581  10.459  35.384  8.0902  -5.802710      13.22290  
1 1 1 -19 12  27 o 15.275  6.8093  -47.1404   228.312  -360.3686  379.375  130.721    285.877  16.381  7.7960  19.822  8.1906  -3.441845      11.30767  
1 1 1 -19 12  28 o 11.064  2.5012  69.991     29.268   129.033    417.967  69.700     29.340   21.744  9.4697  11.039  2.5106  10.70464       9.796819  
1 1 1 -19 12  29 o 25.732  9.9948  438.570    399.165  438.570    399.165  0.0000     0.0000   25.732  9.9948  ?       ?       0.000000       9.994777  
1 1 1 -19 12  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 12  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 13  1  o 302.108 7.5281  49701.46   2463.29  51304.47   3485.25  48101.44   3481.99  306.139 10.511  296.325 10.849  9.814056       15.10569  
1 1 1 -19 13  2  o 290.940 5.9732  45999.84   1882.27  44943.98   3249.84  46532.82   2308.98  286.552 10.471  292.372 7.2915  -5.819489      12.75959  
1 1 1 -19 13  3  o 134.259 3.6688  9774.65    533.510  9563.18    642.582  10243.88   957.180  132.757 4.4689  137.256 6.4386  -4.499252      7.837536  
1 1 1 -19 13  4  o 58.211  3.9176  1846.15    245.564  1912.44    284.205  1650.88    487.784  59.200  4.4653  54.369  8.5670  4.830898       9.660843  
1 1 1 -19 13  5  o 79.461  3.5646  3423.81    306.784  3696.82    490.077  3247.89    393.399  82.310  5.5293  77.211  4.7269  5.098671       7.274414  
1 1 1 -19 13  6  o 45.166  3.9635  1115.05    191.934  1032.65    256.865  1219.21    288.805  43.237  5.6178  47.014  5.7943  -3.777164      8.070544  
1 1 1 -19 13  7  o 226.687 3.7953  27872.42   931.844  27421.33   1200.21  28557.01   1478.56  224.724 4.9310  229.191 5.9562  -4.467255      7.732501  
1 1 1 -19 13  8  o 225.294 4.2099  27542.80   1027.29  27199.53   1185.19  28579.74   2059.91  223.808 4.8892  228.836 8.3110  -5.027512      9.642478  
1 1 1 -19 13  9  o 100.685 3.0416  5496.05    331.694  5716.48    385.112  4862.68    652.800  102.668 3.4633  94.310  6.4291  8.357597       7.302565  
1 1 1 -19 13  10 f 60.379  3.3118  1983.04    215.753  2040.55    249.165  1810.71    431.331  61.210  3.7767  57.202  7.1157  4.008522       8.055880  
1 1 1 -19 13  11 o 278.848 5.0129  42261.32   1514.01  43096.10   1748.23  39756.95   3028.02  281.432 5.7353  268.865 10.398  12.56683       11.87492  
1 1 1 -19 13  12 o 106.503 3.0185  6151.85    348.195  6158.10    404.565  6134.00    683.851  106.529 3.5063  105.953 5.9836  0.5766983      6.935197  
1 1 1 -19 13  13 o 33.711  5.3559  633.825    189.018  476.689    237.701  904.076    311.729  28.978  7.5113  40.021  7.4661  -11.04290      10.59067  
1 1 1 -19 13  14 o 139.095 3.2867  10503.06   495.148  10387.85   576.445  10827.26   967.026  138.267 3.8492  140.760 6.3429  -2.493195      7.419463  
1 1 1 -19 13  15 o 147.186 3.3174  11766.59   528.849  11715.92   613.842  11912.52   1041.68  146.792 3.8609  147.477 6.5214  -0.6847076     7.578548  
1 1 1 -19 13  16 o 178.461 3.6386  17321.99   703.310  17898.84   815.199  15642.60   1390.93  181.290 4.1516  168.365 7.6275  12.92514       8.684188  
1 1 1 -19 13  17 o 151.113 3.3528  12421.07   548.750  12370.44   784.534  12469.57   767.835  150.454 4.8144  151.090 4.6921  -0.6358490     6.722605  
1 1 1 -19 13  18 o 95.217  3.0695  4931.13    316.558  4996.29    469.328  4876.74    428.777  95.601  4.5326  94.515  4.1885  1.086136       6.171525  
1 1 1 -19 13  19 o 31.735  6.1499  574.154    203.752  787.863    299.013  388.908    278.389  36.927  7.7244  26.535  8.5330  10.39126       11.50994  
1 1 1 -19 13  20 o 83.125  2.8296  3760.26    254.752  3484.34    324.232  4205.39    411.823  79.870  3.7480  87.620  4.3395  -7.749153      5.734001  
1 1 1 -19 13  21 o 18.401  6.9841  139.553    191.840  208.981    272.348  71.182     270.269  22.006  8.3290  19.201  7.9513  2.804689       11.51495  
1 1 1 -19 13  22 o 34.152  6.6142  674.237    235.820  742.740    397.974  637.169    292.750  35.099  9.9900  32.787  8.2505  2.312428       12.95653  
1 1 1 -19 13  23 o 23.870  7.7060  321.529    226.877  231.431    394.158  366.170    277.448  24.656  9.8230  25.559  8.5368  -0.9033680     13.01415  
1 1 1 -19 13  24 o 36.745  6.1469  779.703    235.997  1050.11    399.126  634.343    292.633  41.475  9.1321  32.404  8.3009  9.070896       12.34097  
1 1 1 -19 13  25 o 46.516  5.1072  1223.48    253.076  1419.04    422.136  1113.76    316.200  48.584  8.3213  43.602  6.9272  4.982712       10.82735  
1 1 1 -19 13  26 o 27.194  7.6191  449.992    233.385  716.806    382.173  291.314    294.723  33.426  9.8730  23.522  8.7129  9.903505       13.16777  
1 1 1 -19 13  27 o 56.965  4.4932  1839.91    274.974  1920.21    437.005  1787.29    353.790  56.194  7.3568  55.183  6.0168  1.010406       9.503881  
1 1 1 -19 13  28 f 13.369  6.2864  -188.0691  233.101  97.118     398.629  -336.2579  287.351  21.012  9.1967  13.694  6.5881  7.318367       11.31296  
1 1 1 -19 13  29 o 34.878  10.256  904.974    413.229  904.974    413.229  0.0000     0.0000   34.878  10.256  ?       ?       0.000000       10.25621  
1 1 1 -19 13  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 13  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 14  1  o 80.290  3.8640  3496.32    336.023  3294.57    477.527  3694.19    472.924  77.663  5.7171  82.305  5.3338  -4.642059      7.818913  
1 1 1 -19 14  2  o 315.270 5.4830  53987.68   1872.28  51468.29   2644.60  56519.28   2651.01  307.326 7.9449  322.139 7.5980  -14.81259      10.99323  
1 1 1 -19 14  3  o 533.290 9.7565  155472.70  5635.46  153042.00  7368.10  158898.91  8747.81  527.259 12.902  535.663 15.078  -8.403625      19.84450  
1 1 1 -19 14  4  o 285.349 5.8720  44248.27   1814.81  43580.64   2221.75  45586.90   3146.00  282.931 7.2501  288.668 10.062  -5.736786      12.40202  
1 1 1 -19 14  5  o 87.122  3.4049  4115.40    321.292  3639.76    524.140  4401.69    406.651  81.616  5.9707  90.075  4.1682  -8.458389      7.281701  
1 1 1 -19 14  6  o 219.722 4.8155  26209.54   1146.00  25641.29   1976.25  26497.43   1406.66  216.779 8.4170  220.792 5.8822  -4.013016      10.26864  
1 1 1 -19 14  7  o 182.590 3.9012  18085.02   771.519  17962.70   846.417  18685.85   1875.91  181.939 4.2952  184.624 9.4124  -2.684601      10.34611  
1 1 1 -19 14  8  o 69.467  3.2051  2616.44    241.155  2427.03    278.148  3189.78    483.946  66.777  3.8622  76.371  5.8962  -9.593781      7.048564  
1 1 1 -19 14  9  o 64.046  3.3797  2230.67    233.616  2254.14    272.235  2165.07    455.026  64.337  3.9255  62.689  6.8111  1.647736       7.861357  
1 1 1 -19 14  10 o 117.988 3.0953  7548.61    395.552  7635.79    457.973  7292.61    784.819  118.642 3.5639  115.570 6.2935  3.072479       7.232590  
1 1 1 -19 14  11 o 171.380 3.5678  15935.55   662.255  16095.17   768.575  15475.38   1305.00  172.182 4.1212  168.415 7.1542  3.767593       8.256320  
1 1 1 -19 14  12 o 141.252 3.2590  10824.10   498.590  10678.08   576.014  11260.38   995.672  140.252 3.7919  143.710 6.3967  -3.457932      7.436174  
1 1 1 -19 14  13 o 39.894  4.5874  876.652    194.610  969.925    243.560  711.951    323.649  41.844  5.5078  35.316  8.5522  6.528080       10.17230  
1 1 1 -19 14  14 o 139.015 3.2183  10490.56   484.568  10947.11   564.657  9214.81    943.888  141.957 3.6725  129.596 6.7478  12.36101       7.682443  
1 1 1 -19 14  15 o 93.493  2.9840  4745.14    302.164  4930.97    354.777  4254.26    576.615  95.268  3.4383  87.985  6.0882  7.283295       6.991961  
1 1 1 -19 14  16 o 89.193  3.0107  4321.25    290.853  4462.30    343.394  3963.19    547.127  90.589  3.4998  84.836  5.9929  5.752472       6.940027  
1 1 1 -19 14  17 o 46.129  2.2544  1154.72    112.638  1299.89    294.181  1129.78    121.929  48.352  5.7287  45.552  2.4807  2.800686       6.242724  
1 1 1 -19 14  18 o 176.740 3.5868  17017.64   686.613  17816.96   980.017  16247.02   962.261  180.330 5.0176  172.145 5.1610  8.185822       7.198026  
1 1 1 -19 14  19 o 144.338 3.3897  11350.82   529.922  10416.48   754.152  12262.09   744.781  137.763 5.0542  149.643 4.5952  -11.87976      6.830878  
1 1 1 -19 14  20 f 114.689 3.1656  7167.53    393.228  6375.35    555.054  7965.76    557.168  107.749 4.7561  120.604 4.2653  -12.85518      6.388555  
1 1 1 -19 14  21 o 127.532 3.2903  8875.33    454.487  8392.60    650.373  9336.06    635.373  123.461 4.8637  130.370 4.4997  -6.909119      6.625880  
1 1 1 -19 14  22 o 128.584 3.3768  9038.06    470.289  8919.26    688.039  9142.23    644.292  127.034 5.0006  128.803 4.6184  -1.769203      6.807006  
1 1 1 -19 14  23 o 110.791 3.2848  6716.89    394.171  7528.25    582.301  6030.66    535.517  116.709 4.6065  104.398 4.7360  12.31145       6.606781  
1 1 1 -19 14  24 o 52.077  4.5047  1512.59    251.584  1738.91    397.736  1361.64    324.823  54.886  6.8390  48.718  6.3037  6.168159       9.300987  
1 1 1 -19 14  25 o 30.089  7.1677  541.307    230.258  366.553    375.922  646.237    291.297  26.381  9.8267  32.557  8.2505  -6.175667      12.83095  
1 1 1 -19 14  26 o 57.088  4.4006  1827.63    269.998  1331.23    425.808  2161.42    349.167  46.333  8.8070  61.661  5.2791  -15.32791      10.26802  
1 1 1 -19 14  27 o 67.989  4.2295  2605.54    309.917  2779.50    483.217  2483.98    403.939  68.362  6.6086  65.293  5.7713  3.069427       8.773886  
1 1 1 -19 14  28 o 18.387  3.0036  192.002    57.752   179.506    58.641   595.134    333.073  17.721  3.1716  29.373  9.3218  -11.65155      9.846568  
1 1 1 -19 14  29 o 33.438  10.686  857.294    437.114  857.294    437.114  0.0000     0.0000   33.438  10.686  ?       ?       0.000000       10.68601  
1 1 1 -19 14  30 o 32.581  13.164  1069.17    718.575  1069.17    718.575  0.0000     0.0000   32.581  13.164  ?       ?       0.000000       13.16441  
1 1 1 -19 14  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 15  1  o 248.640 4.4775  33547.11   1205.81  34039.32   1702.08  33051.18   1708.48  250.214 6.2806  246.537 6.3982  3.676880       8.965623  
1 1 1 -19 15  2  o 255.818 4.6071  35515.89   1276.52  33930.59   1799.53  37121.60   1811.07  249.756 6.6523  261.279 6.3997  -11.52324      9.230885  
1 1 1 -19 15  3  o 206.769 3.9413  23189.29   882.654  22875.40   1242.52  23509.04   1254.08  205.203 5.5905  208.028 5.5659  -2.825455      7.888770  
1 1 1 -19 15  4  o 77.832  3.2466  3284.15    273.686  3265.02    331.537  3325.08    484.922  77.484  3.9638  78.013  5.7801  -0.5291901     7.008642  
1 1 1 -19 15  5  o 18.613  6.4881  167.509    160.625  -8.4901    198.508  501.272    273.364  15.541  6.6441  29.858  8.2015  -14.31663      10.55502  
1 1 1 -19 15  6  o 128.112 3.1189  8897.67    432.772  8791.03    606.443  9008.35    617.781  127.276 4.3992  128.838 4.4271  -1.561867      6.241163  
1 1 1 -19 15  7  o 78.061  3.0236  3303.31    255.644  3192.10    297.932  3613.78    497.800  76.720  3.5854  81.346  5.6857  -4.626167      6.721810  
1 1 1 -19 15  8  o 130.753 3.1844  9269.36    450.964  9351.84    512.741  8987.62    947.667  131.312 3.6052  128.300 6.8443  3.011795       7.735766  
1 1 1 -19 15  9  o 253.990 4.6515  35029.77   1279.63  34017.23   1476.68  38082.39   2563.99  250.167 5.4499  263.865 8.9715  -13.69815      10.49708  
1 1 1 -19 15  10 o 141.232 3.3299  10818.20   509.370  10869.72   574.308  10628.25   1102.75  141.539 3.7463  139.397 7.3296  2.142593       8.231512  
1 1 1 -19 15  11 o 83.677  3.0481  3797.13    276.253  3419.30    328.584  4708.12    510.216  79.373  3.8221  92.923  5.0888  -13.54966      6.364277  
1 1 1 -19 15  12 o 118.287 3.0695  7589.42    393.255  7708.34    454.722  7236.58    783.263  119.180 3.5227  115.040 6.3103  4.140442       7.226978  
1 1 1 -19 15  13 o 101.734 3.0274  5615.03    333.587  5435.82    389.509  6108.21    646.159  100.060 3.5941  105.721 5.6636  -5.660934      6.707695  
1 1 1 -19 15  14 o 66.059  3.2005  2368.96    228.990  2430.57    271.008  2215.17    428.154  66.777  3.7623  63.352  6.3243  3.424915       7.358751  
1 1 1 -19 15  15 o 41.161  3.8682  929.372    170.427  906.927    221.052  962.266    267.606  40.452  5.1630  41.502  6.1385  -1.049477      8.021112  
1 1 1 -19 15  16 o 120.273 3.1263  7859.88    407.253  7698.91    475.280  8304.55    789.961  118.958 3.6888  123.103 5.9247  -4.144348      6.979230  
1 1 1 -19 15  17 o 80.960  3.0821  3563.30    270.267  3443.60    321.365  3852.51    499.535  79.517  3.7314  83.646  5.5452  -4.128838      6.683740  
1 1 1 -19 15  18 o 40.246  4.5136  896.347    193.362  921.997    307.303  879.535    248.785  40.172  7.3330  39.543  5.9969  0.6287498      9.472838  
1 1 1 -19 15  19 o 46.875  4.4046  1212.50    220.999  791.623    320.677  1593.21    304.993  36.890  8.2345  53.583  5.3258  -16.69372      9.806668  
1 1 1 -19 15  20 o 21.268  7.0663  241.660    190.174  526.489    268.701  -44.2103   269.192  30.050  8.0805  17.285  7.5617  12.76432       11.06682  
1 1 1 -19 15  21 o 47.232  4.5006  1236.17    227.452  1670.30    335.072  865.177    309.750  54.615  5.7508  38.551  7.6879  16.06402       9.600857  
1 1 1 -19 15  22 o 77.516  3.5170  3287.55    295.280  3875.19    446.183  2829.64    393.872  83.606  4.9493  71.335  5.1321  12.27132       7.129769  
1 1 1 -19 15  23 o 33.730  6.5292  661.189    229.910  566.910    365.366  722.992    295.819  30.859  9.7600  34.828  8.0091  -3.968977      12.62549  
1 1 1 -19 15  24 o 38.661  5.8238  856.913    236.301  1329.79    380.711  560.577    301.379  47.515  7.6580  30.430  8.7048  17.08524       11.59390  
1 1 1 -19 15  25 o 32.460  6.8386  624.306    232.838  1001.94    381.052  399.299    294.136  40.340  8.9549  26.224  8.7896  14.11561       12.54781  
1 1 1 -19 15  26 o 77.228  3.7934  3302.86    317.301  3740.25    480.542  2964.74    422.503  81.038  5.5076  72.152  5.4466  8.885368       7.745863  
1 1 1 -19 15  27 o 55.169  4.6696  1734.97    276.406  2001.16    451.301  1575.18    349.660  57.192  7.4634  51.441  6.4152  5.751633       9.841603  
1 1 1 -19 15  28 o 26.324  8.7567  459.572    292.010  696.042    387.790  149.893    443.778  31.180  10.076  22.347  9.7442  8.833624       14.01672  
1 1 1 -19 15  29 o 18.391  8.4456  -82.0065   383.847  -82.0065   383.847  0.0000     0.0000   18.391  8.4456  ?       ?       0.000000       8.445630  
1 1 1 -19 15  30 o 21.633  10.599  -528.0049  839.648  -528.0049  839.648  0.0000     0.0000   21.633  10.599  ?       ?       0.000000       10.59906  
1 1 1 -19 15  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 16  1  o 271.261 4.9225  39946.97   1446.24  38012.71   2041.35  41896.23   2049.25  264.256 7.1322  277.487 6.8184  -13.23187      9.867059  
1 1 1 -19 16  2  o 423.853 7.1951  97800.66   3303.09  95015.63   4669.59  100589.70  4672.97  416.615 10.348  428.787 10.062  -12.17181      14.43371  
1 1 1 -19 16  3  o 215.707 4.1030  25241.24   958.606  26048.73   1353.14  24427.68   1358.22  218.955 5.7058  212.007 5.9149  6.948502       8.218445  
1 1 1 -19 16  4  o 187.998 3.7154  19167.54   756.533  18810.15   1061.14  19536.96   1078.88  186.104 5.2644  189.667 5.2518  -3.562653      7.436091  
1 1 1 -19 16  5  o 246.780 5.2372  33076.66   1399.83  33600.46   1713.19  32024.49   2428.10  248.555 6.3638  242.078 9.2607  6.476791       11.23643  
1 1 1 -19 16  6  o 258.925 5.4369  36423.43   1524.73  37582.21   1867.91  34109.70   2639.45  262.819 6.5619  249.679 9.7603  13.14009       11.76100  
1 1 1 -19 16  7  o 216.495 4.1379  25431.02   970.284  25691.81   1120.10  24647.01   1942.07  217.535 4.7540  212.492 8.4383  5.043640       9.685272  
1 1 1 -19 16  8  o 250.959 4.5700  34190.50   1242.19  33029.52   1432.96  37700.75   2491.67  246.548 5.3661  262.673 8.7580  -16.12547      10.27121  
1 1 1 -19 16  9  o 268.841 4.8762  39258.74   1419.86  39357.44   1638.80  38961.61   2843.46  269.045 5.6238  266.591 9.8476  2.453674       11.34031  
1 1 1 -19 16  10 o 190.293 3.7835  19648.94   779.804  19506.46   899.410  20080.30   1565.00  189.538 4.3812  191.813 7.5330  -2.274658      8.714370  
1 1 1 -19 16  11 o 35.797  4.8574  709.110    183.469  813.141    214.212  422.686    355.440  38.308  5.3052  28.676  9.6620  9.632000       11.02271  
1 1 1 -19 16  12 o 125.589 3.1187  8556.07    424.224  8336.43    494.459  9168.67    825.783  123.925 3.6838  129.728 5.8771  -5.803261      6.936188  
1 1 1 -19 16  13 o 132.890 3.1770  9583.24    457.273  9639.79    530.691  9420.24    901.042  133.236 3.6775  131.358 6.3331  1.877563       7.323413  
1 1 1 -19 16  14 o 242.540 4.4900  32012.06   1179.50  32737.82   1363.04  29848.30   2353.49  245.092 5.1346  232.332 9.3526  12.75989       10.66939  
1 1 1 -19 16  15 o 85.203  3.0203  3941.75    278.728  3569.13    332.518  4822.21    511.140  81.016  3.7894  93.889  5.0449  -12.87295      6.309578  
1 1 1 -19 16  16 o 119.368 3.1241  7742.50    403.914  7777.32    473.184  7649.00    775.395  119.562 3.6540  117.940 6.0909  1.622726       7.102813  
1 1 1 -19 16  17 o 49.721  3.7455  1354.06    200.226  1372.40    244.853  1317.04    347.863  49.921  4.5795  48.405  6.8245  1.516094       8.218646  
1 1 1 -19 16  18 o 128.773 3.1450  9022.69    438.645  9680.27    634.274  8419.89    607.281  133.083 4.4003  124.087 4.5185  8.996735       6.307113  
1 1 1 -19 16  19 o 52.232  3.9577  1498.30    222.235  1360.38    311.916  1640.50    316.714  49.310  5.9613  54.343  5.4545  -5.032990      8.080102  
1 1 1 -19 16  20 o 107.871 3.1468  6341.39    367.659  6476.46    520.222  6206.61    519.675  108.682 4.4194  106.367 4.5108  2.315605       6.314937  
1 1 1 -19 16  21 o 62.698  3.7315  2157.64    252.258  1991.83    368.391  2304.02    346.142  59.676  5.7717  64.465  4.9965  -4.789585      7.633933  
1 1 1 -19 16  22 o 54.074  4.3177  1618.05    250.771  1450.56    388.540  1737.63    328.307  50.163  7.3711  55.685  5.5160  -5.522087      9.206430  
1 1 1 -19 16  23 o 34.527  6.6606  693.983    240.058  881.687    364.587  550.322    318.958  38.170  8.9705  30.337  9.0337  7.832775       12.73097  
1 1 1 -19 16  24 o 86.941  3.4359  4148.99    323.546  4813.33    493.142  3646.89    428.719  92.874  4.9199  80.808  4.9218  12.06664       6.959147  
1 1 1 -19 16  25 o 56.562  4.3432  1784.28    264.041  2290.11    420.160  1454.14    339.442  63.214  6.2170  50.176  6.3911  13.03845       8.916147  
1 1 1 -19 16  26 o 15.982  6.9739  -11.8400   227.683  -71.0715   395.823  17.449     278.340  19.876  8.9055  18.003  7.7839  1.873247       11.82777  
1 1 1 -19 16  27 o 27.746  7.6557  486.013    237.572  599.250    386.511  417.255    301.184  29.896  10.075  25.826  8.8911  4.069706       13.43752  
1 1 1 -19 16  28 o 30.531  8.7944  632.133    306.642  784.947    420.954  459.372    447.586  32.738  10.489  26.682  10.519  6.056461       14.85491  
1 1 1 -19 16  29 o 14.159  2.2603  112.878    33.498   112.878    33.498   0.0000     0.0000   14.159  2.2603  ?       ?       0.000000       2.260335  
1 1 1 -19 16  30 o 31.163  13.630  1038.44    874.316  1038.44    874.316  0.0000     0.0000   31.163  13.630  ?       ?       0.000000       13.63038  
1 1 1 -19 16  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 17  1  o 42.069  3.4618  966.088    156.338  951.599    202.650  987.389    245.711  41.625  4.5701  42.282  5.4952  -0.6571503     7.147261  
1 1 1 -19 17  2  o 92.054  2.8880  4593.04    287.944  4779.16    393.775  4379.15    422.130  93.869  3.8731  89.837  4.3383  4.031769       5.815645  
1 1 1 -19 17  3  o 172.645 3.5089  16162.27   656.141  15599.33   921.485  16741.22   934.498  169.499 5.0194  175.603 4.9133  -6.103775      7.023886  
1 1 1 -19 17  4  o 194.005 3.9028  20415.57   820.097  19173.39   1085.25  22069.20   1252.16  187.880 5.3331  201.523 5.7367  -13.64215      7.832755  
1 1 1 -19 17  5  f 111.800 3.4120  6777.52    413.168  6984.82    506.382  6364.66    714.620  113.465 4.1205  108.019 6.1334  5.445724       7.388932  
1 1 1 -19 17  6  o 170.456 4.0866  15763.65   754.474  14721.85   923.891  17849.26   1307.21  164.635 5.1812  181.107 6.6641  -16.47182      8.441209  
1 1 1 -19 17  7  o 257.317 4.6733  35945.68   1302.45  34753.53   1503.22  39535.95   2608.68  252.897 5.4879  268.981 8.9542  -16.08437      10.50218  
1 1 1 -19 17  8  o 59.798  3.3069  1944.90    213.344  1938.72    245.892  1963.69    429.087  59.659  3.8256  59.679  6.7573  -0.2029419E-01 7.765099  
1 1 1 -19 17  9  o 193.485 3.7753  20311.12   791.176  21107.97   916.394  17978.29   1567.95  197.191 4.2907  181.457 7.9779  15.73373       9.058515  
1 1 1 -19 17  10 o 198.327 3.8928  21346.44   836.216  21544.43   964.528  20747.25   1677.93  199.178 4.4710  194.871 7.9498  4.306473       9.120783  
1 1 1 -19 17  11 o 141.988 3.2736  10936.29   503.445  10674.44   581.871  11716.00   1004.09  140.235 3.8309  146.629 6.3224  -6.394150      7.392455  
1 1 1 -19 17  12 o 96.774  2.8477  5079.08    298.488  5022.86    363.572  5195.33    522.797  96.202  3.4893  97.608  4.9615  -1.405617      6.065571  
1 1 1 -19 17  13 o 76.150  3.0520  3146.44    251.723  3219.26    293.137  2941.93    491.222  77.002  3.5148  73.146  6.2607  3.856079       7.179858  
1 1 1 -19 17  14 o 70.975  3.1232  2734.60    240.092  2705.20    282.861  2810.39    454.105  70.460  3.7197  71.491  5.9177  -1.031532      6.989690  
1 1 1 -19 17  15 o 47.010  3.8582  1210.02    194.714  1148.06    234.388  1348.01    349.782  45.639  4.8143  49.122  6.7529  -3.483147      8.293280  
1 1 1 -19 17  16 f 71.603  2.6283  2783.28    203.835  2536.15    290.389  3023.31    286.190  68.133  3.9521  74.552  3.5443  -6.419350      5.308530  
1 1 1 -19 17  17 o 117.189 3.0998  7467.26    393.455  7410.92    459.991  7620.84    759.498  116.658 3.6405  117.602 5.9824  -0.9446793     7.003044  
1 1 1 -19 17  18 f 120.384 3.2062  7887.37    418.052  7724.19    595.050  8046.40    587.453  118.815 4.6239  121.309 4.4711  -2.493217      6.432043  
1 1 1 -19 17  19 o 25.726  6.7560  380.693    190.669  369.797    266.242  392.165    273.185  25.890  8.3468  26.542  8.4443  -0.6516418     11.87326  
1 1 1 -19 17  20 o 41.014  4.8008  936.506    209.227  875.424    295.568  997.857    296.216  38.975  7.2691  41.826  6.7701  -2.851299      9.933481  
1 1 1 -19 17  21 o 44.545  2.1807  1078.30    105.213  1046.12    112.174  1313.72    303.392  43.798  2.3735  48.306  5.9228  -4.508133      6.380723  
1 1 1 -19 17  22 f 23.363  7.6295  302.872    222.046  254.776    370.048  329.933    277.570  24.731  9.6185  24.765  8.5349  -0.3371811E-01 12.85920  
1 1 1 -19 17  23 o 53.827  4.4917  1611.02    259.476  1855.41    420.984  1461.30    329.506  56.801  6.9904  50.679  6.1274  6.122093       9.295712  
1 1 1 -19 17  24 o 38.291  2.2905  801.676    94.558   786.531    99.356   947.188    307.976  37.903  2.4330  40.051  7.3712  -2.147491      7.762390  
1 1 1 -19 17  25 o 25.332  8.0009  377.857    245.597  466.922    400.747  324.285    310.802  28.527  10.220  24.665  8.9781  3.861969       13.60366  
1 1 1 -19 17  26 o 30.657  7.1827  570.829    234.326  628.217    378.384  535.129    298.440  31.320  9.9352  29.264  8.7438  2.055830       13.23487  
1 1 1 -19 17  27 o 39.789  5.9357  939.366    247.976  1037.89    399.136  877.430    316.462  39.396  9.4708  37.101  8.1022  2.295006       12.46361  
1 1 1 -19 17  28 o 25.248  8.8926  413.931    302.157  287.021    414.498  557.847    441.399  23.788  9.8486  28.290  10.626  -4.501713      14.48836  
1 1 1 -19 17  29 o 20.245  8.9685  76.569     389.875  76.569     389.875  0.0000     0.0000   20.245  8.9685  ?       ?       0.000000       8.968472  
1 1 1 -19 17  30 f 25.809  11.711  395.363    709.742  395.363    709.742  0.0000     0.0000   25.809  11.711  ?       ?       0.000000       11.71085  
1 1 1 -19 17  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 18  1  f 186.740 3.6811  18911.81   744.534  17976.48   1047.62  19866.34   1058.32  181.923 5.3167  191.269 5.1086  -9.345612      7.373316  
1 1 1 -19 18  2  o 173.232 3.5709  16273.37   670.010  16847.69   941.381  15683.77   953.818  176.156 4.9340  169.940 5.1820  6.215958       7.155248  
1 1 1 -19 18  3  o 261.008 4.7278  36980.22   1336.56  36817.98   1886.18  37143.84   1894.19  260.128 6.6946  261.277 6.6935  -1.148804      9.466829  
1 1 1 -19 18  4  o 194.096 3.8176  20433.83   802.562  21111.22   1125.55  19733.23   1144.68  197.148 5.2711  190.575 5.5456  6.572922       7.651016  
1 1 1 -19 18  5  o 180.857 3.6452  17739.18   714.052  17511.02   823.782  18428.58   1431.94  179.645 4.2338  183.956 7.1869  -4.311356      8.341233  
1 1 1 -19 18  6  f 130.026 4.5786  9177.17    644.811  9008.70    878.554  9373.90    949.356  128.694 6.3029  131.069 6.7099  -2.375397      9.205937  
1 1 1 -19 18  7  o 173.552 3.5534  16335.26   667.944  16851.84   771.885  14795.28   1332.74  176.237 4.0438  164.762 7.4682  11.47472       8.492722  
1 1 1 -19 18  8  o 131.789 3.1319  9417.10    447.056  9623.76    515.820  8793.29    896.176  133.203 3.5753  126.928 6.5410  6.274841       7.454370  
1 1 1 -19 18  9  o 152.708 3.3837  12647.99   559.662  12535.13   644.922  12992.16   1126.27  151.986 3.9177  154.427 6.7336  -2.440948      7.790365  
1 1 1 -19 18  10 o 287.889 5.1497  45054.37   1605.76  45016.06   1853.09  45169.84   3217.13  287.585 5.9492  286.610 10.364  0.9750977      11.94971  
1 1 1 -19 18  11 o 200.845 3.8924  21898.51   846.735  21919.46   977.948  21835.78   1692.31  200.860 4.4952  199.826 7.8192  1.034653       9.019214  
1 1 1 -19 18  12 o 77.855  3.0857  3288.24    260.202  3229.27    301.897  3458.61    513.119  77.129  3.6139  79.432  6.0087  -2.303146      7.011728  
1 1 1 -19 18  13 o 106.368 3.0150  6139.21    347.358  5844.11    400.866  7028.58    695.911  103.740 3.5676  113.534 5.6592  -9.794083      6.689908  
1 1 1 -19 18  14 o 84.465  2.7892  3871.20    255.169  3532.65    330.252  4372.71    401.948  80.620  3.7821  89.663  4.1389  -9.042938      5.606668  
1 1 1 -19 18  15 o 261.493 4.7564  37284.22   1347.13  38210.36   1557.23  34529.82   2685.51  264.445 5.4368  248.796 9.9658  15.64952       11.35242  
1 1 1 -19 18  16 f 154.284 3.5698  12950.48   596.542  12914.13   666.437  13097.04   1338.07  153.978 3.9960  153.510 8.0761  0.4680176      9.010641  
1 1 1 -19 18  17 o 64.536  3.4432  2273.24    239.807  2169.88    294.134  2478.15    414.144  62.901  4.3440  66.936  5.7688  -4.035469      7.221438  
1 1 1 -19 18  18 o 116.756 3.2703  7421.12    413.554  6825.74    479.334  9154.80    817.948  111.840 3.9570  128.940 5.8569  -17.10036      7.068339  
1 1 1 -19 18  19 o 43.790  4.4957  1060.80    210.201  624.315    294.742  1512.57    299.862  32.711  8.3044  52.164  5.3848  -19.45359      9.897426  
1 1 1 -19 18  20 o 66.164  3.5880  2397.52    256.163  2132.73    372.448  2635.22    352.880  61.881  5.6182  69.095  4.7441  -7.213848      7.353295  
1 1 1 -19 18  21 o 30.911  6.2315  550.005    201.423  946.853    287.927  169.653    281.879  40.638  6.7804  21.369  8.3715  19.26888       10.77290  
1 1 1 -19 18  22 o 56.694  4.2946  1777.95    261.750  2041.16    423.103  1614.76    333.154  59.944  6.6276  53.534  5.8405  6.410126       8.833866  
1 1 1 -19 18  23 o 13.327  6.1939  -175.7896  215.624  -813.8411  368.359  156.803    265.949  13.499  6.6900  20.541  8.1049  -7.041588      10.50930  
1 1 1 -19 18  24 o 69.645  3.9240  2682.23    294.795  2468.48    469.348  2821.49    378.847  65.518  6.7086  71.005  4.9572  -5.486877      8.341388  
1 1 1 -19 18  25 o 52.953  4.6365  1572.40    263.242  1455.21    428.052  1643.67    333.832  49.128  8.3429  53.624  5.8423  -4.496483      10.18511  
1 1 1 -19 18  26 o ?       ?       -122.6913  29.571   -123.6039  29.737   -42.0585   279.523  ?       ?       17.114  7.5872  0.000000       7.587176  
1 1 1 -19 18  27 o 57.267  4.5200  1868.26    278.078  2050.67    453.929  1758.69    351.824  57.725  7.4330  54.505  6.0623  3.219288       9.591702  
1 1 1 -19 18  28 o 21.039  8.4121  219.225    290.076  619.117    389.497  -278.8008  434.669  29.513  10.113  17.931  8.4783  11.58140       13.19712  
1 1 1 -19 18  29 o 20.763  9.2032  91.767     411.120  91.767     411.120  0.0000     0.0000   20.763  9.2032  ?       ?       0.000000       9.203220  
1 1 1 -19 18  30 o 22.456  10.634  -50.8582   688.589  -50.8582   688.589  0.0000     0.0000   22.456  10.634  ?       ?       0.000000       10.63373  
1 1 1 -19 18  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 19  1  o 31.192  1.7314  528.711    58.264   430.470    177.561  540.565    61.679   27.602  6.1015  31.536  1.8134  -3.934023      6.365304  
1 1 1 -19 19  2  o 53.875  3.0636  1578.52    178.028  1431.22    229.258  1802.24    282.553  51.192  4.1711  57.442  4.5795  -6.250607      6.194332  
1 1 1 -19 19  3  o 296.377 5.2563  47710.07   1687.30  47444.33   2382.78  47977.34   2389.64  295.111 7.4547  296.769 7.4344  -1.657867      10.52815  
1 1 1 -19 19  4  o 150.576 3.2846  12293.02   535.678  12143.50   617.101  12750.15   1078.99  149.628 3.8078  153.090 6.5072  -3.462601      7.539466  
1 1 1 -19 19  5  o 93.074  2.8634  4695.59    288.653  4795.10    333.087  4395.47    578.454  94.043  3.2701  89.718  5.9872  4.324768       6.822011  
1 1 1 -19 19  6  o 112.754 3.4365  6894.12    419.682  7227.48    515.893  6241.83    721.651  115.414 4.1270  106.944 6.2575  8.470848       7.495851  
1 1 1 -19 19  7  o 301.176 6.1510  49339.27   2006.50  48394.48   2455.84  51236.30   3479.94  297.931 7.6105  305.625 10.513  -7.693298      12.97829  
1 1 1 -19 19  8  o 388.567 6.6739  82221.79   2808.78  84179.27   3242.90  76343.51   5619.67  392.834 7.6217  370.948 13.987  21.88602       15.92889  
1 1 1 -19 19  9  o 166.237 3.4898  14990.21   628.345  14374.54   723.860  16872.26   1265.60  162.737 4.1068  175.988 6.6396  -13.25163      7.807024  
1 1 1 -19 19  10 o 167.941 3.5286  15301.86   641.838  15455.13   741.115  14841.98   1283.75  168.730 4.0553  164.925 7.1866  3.805099       8.251836  
1 1 1 -19 19  11 o 183.290 3.7150  18234.83   737.515  17895.15   851.329  19256.56   1476.49  181.501 4.3306  187.757 7.2604  -6.256119      8.453886  
1 1 1 -19 19  12 o 95.648  3.0127  4962.85    312.111  4820.95    361.451  5378.81    618.830  94.240  3.5411  99.184  5.7856  -4.943558      6.783296  
1 1 1 -19 19  13 o 46.130  3.8590  1164.23    191.037  1153.31    220.654  1196.90    381.741  45.828  4.5036  46.064  7.9378  -0.2369690     9.126415  
1 1 1 -19 19  14 o 168.651 3.7154  15458.62   678.683  15468.00   750.907  15416.77   1586.02  168.634 4.1112  166.832 8.8085  1.802032       9.720650  
1 1 1 -19 19  15 f 28.571  5.9290  463.134    177.467  549.244    220.483  304.707    299.065  31.042  6.7501  24.992  8.8422  6.050404       11.12418  
1 1 1 -19 19  16 o 151.198 3.3647  12432.59   551.020  12794.06   640.934  11408.54   1078.79  153.278 3.8607  143.862 6.9234  9.416138       7.927069  
1 1 1 -19 19  17 o 143.884 3.3133  11264.86   516.355  11792.92   603.926  9829.72    995.608  147.110 3.7903  133.178 6.9261  13.93158       7.895347  
1 1 1 -19 19  18 o 197.554 3.9166  21295.97   838.051  20745.31   970.739  22907.38   1660.59  194.704 4.6032  202.820 7.5593  -8.116425      8.850563  
1 1 1 -19 19  19 o 98.782  3.1391  5313.94    335.855  4815.02    473.190  5820.44    476.772  93.717  4.6617  103.140 4.2679  -9.422569      6.320342  
1 1 1 -19 19  20 o 93.330  3.2209  4749.51    325.593  4505.06    469.884  4975.27    451.577  90.395  4.8167  95.248  4.3773  -4.853500      6.508514  
1 1 1 -19 19  21 o 84.417  3.2431  3889.57    296.525  3632.85    420.968  4142.37    417.750  81.068  4.8160  86.706  4.4635  -5.637650      6.566303  
1 1 1 -19 19  22 o 68.078  3.7505  2548.13    275.474  3231.94    423.139  2045.12    362.916  76.209  5.1567  60.388  5.6129  15.82102       7.622047  
1 1 1 -19 19  23 o 20.816  7.6225  210.184    224.513  59.173     375.052  294.518    280.278  21.540  9.1686  23.823  8.5459  -2.283657      12.53379  
1 1 1 -19 19  24 o 87.848  3.4702  4239.01    330.188  4738.01    499.045  3850.48    440.355  92.043  5.0249  83.005  4.9201  9.037895       7.032526  
1 1 1 -19 19  25 o 50.741  2.0732  1402.33    113.937  609.738    393.400  1474.90    119.039  31.343  10.150  52.031  2.1123  -20.68856      10.36785  
1 1 1 -19 19  26 o 73.604  3.7741  3012.21    299.858  2944.60    463.275  3060.95    393.375  71.340  6.0527  73.505  4.9702  -2.165009      7.831890  
1 1 1 -19 19  27 o 17.176  2.8271  166.763    50.765   151.714    51.505   678.811    300.437  16.319  3.0254  32.210  8.4913  -15.89036      9.014127  
1 1 1 -19 19  28 o 59.447  7.1002  2194.74    448.122  2194.74    448.122  0.0000     0.0000   59.447  7.1002  ?       ?       0.000000       7.100231  
1 1 1 -19 19  29 o 20.722  9.0781  118.696    389.193  118.696    389.193  0.0000     0.0000   20.722  9.0781  ?       ?       0.000000       9.078090  
1 1 1 -19 19  30 o 32.737  13.964  1237.69    873.300  1237.69    873.300  0.0000     0.0000   32.737  13.964  ?       ?       0.000000       13.96421  
1 1 1 -19 19  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 20  1  o 72.263  2.8615  2830.43    223.964  2876.10    301.118  2773.88    335.058  72.717  3.8368  71.363  4.3557  1.353477       5.804605  
1 1 1 -19 20  2  o 176.332 4.1265  16869.38   788.099  16029.53   1352.28  17301.35   969.823  171.555 7.2777  178.497 5.0164  -6.941986      8.839042  
1 1 1 -19 20  3  o 63.780  2.6541  2204.63    183.348  2143.84    227.555  2317.12    309.561  62.791  3.3581  65.195  4.4099  -2.404167      5.542926  
1 1 1 -19 20  4  o 226.834 4.2411  27919.47   1041.98  29365.70   1202.12  23550.04   2089.49  232.574 4.7722  207.559 9.2946  25.01541       10.44809  
1 1 1 -19 20  5  o 93.709  2.8288  4759.82    287.111  4905.04    330.860  4317.05    577.729  95.116  3.2116  88.902  6.0356  6.213745       6.836883  
1 1 1 -19 20  6  o 167.128 4.0292  15154.40   729.355  14810.11   892.997  15844.24   1264.06  165.137 4.9927  170.593 6.8413  -5.456406      8.469362  
1 1 1 -19 20  7  o 59.596  3.8358  1934.72    246.277  2041.17    305.791  1738.23    415.475  61.138  4.6528  56.064  6.9943  5.074337       8.400519  
1 1 1 -19 20  8  o 114.929 3.0201  7161.58    375.937  7067.19    436.831  7431.09    738.170  114.145 3.5334  116.886 5.8307  -2.741089      6.817789  
1 1 1 -19 20  9  o 243.207 4.4711  32120.45   1177.78  31064.58   1357.98  35325.72   2366.04  239.053 5.2448  254.118 8.5964  -15.06497      10.07004  
1 1 1 -19 20  10 o 179.697 3.6459  17522.24   709.601  16950.38   817.916  19262.60   1426.87  176.674 4.2743  187.904 7.0110  -11.22972      8.211189  
1 1 1 -19 20  11 o 136.208 3.1940  10064.58   471.201  10226.91   542.512  9566.01    950.784  137.266 3.6490  132.247 6.6592  5.018890       7.593392  
1 1 1 -19 20  12 o 86.265  2.9891  4037.05    279.284  3895.22    321.640  4471.69    563.049  84.709  3.5057  90.396  5.7811  -5.686737      6.760961  
1 1 1 -19 20  13 o 28.672  5.8180  464.652    174.503  520.842    203.853  310.573    337.569  30.309  6.4101  25.900  9.3675  4.409273       11.35070  
1 1 1 -19 20  14 o 73.727  3.2327  2951.93    258.142  2717.09    308.957  3494.99    469.822  70.562  4.0597  79.834  5.4663  -9.272293      6.808945  
1 1 1 -19 20  15 f 52.132  3.6569  1485.32    205.182  1559.89    248.615  1326.04    363.348  53.335  4.3414  48.603  7.1128  4.731739       8.333037  
1 1 1 -19 20  16 o 73.101  3.2145  2905.35    254.510  2696.02    304.294  3392.75    464.325  70.228  4.0171  78.514  5.4948  -8.285461      6.806643  
1 1 1 -19 20  17 o 118.845 3.1877  7683.33    410.323  7627.96    482.895  7827.16    778.241  118.311 3.7684  119.114 6.0522  -0.8032761     7.129493  
1 1 1 -19 20  18 o 53.889  4.1322  1595.20    239.353  1322.25    276.953  2400.71    475.771  48.790  5.3275  65.498  6.8059  -16.70818      8.643061  
1 1 1 -19 20  19 o 119.397 3.1847  7765.33    411.848  8220.84    581.195  7305.89    583.695  122.531 4.3793  115.425 4.6689  7.106056       6.401324  
1 1 1 -19 20  20 o 98.824  3.2087  5325.19    343.447  5632.06    495.582  5041.60    476.402  101.293 4.5172  95.815  4.5906  5.477798       6.440354  
1 1 1 -19 20  21 o 27.288  6.7831  433.155    199.616  168.316    283.068  695.138    281.538  21.358  8.3826  34.426  7.7387  -13.06817      11.40858  
1 1 1 -19 20  22 o 45.005  4.9813  1133.64    238.743  1489.66    374.165  889.155    310.065  50.958  6.9613  38.942  7.6242  12.01636       10.32411  
1 1 1 -19 20  23 o 59.326  4.1157  1948.06    262.827  1950.99    406.426  1945.95    344.573  58.437  6.5331  58.814  5.4719  -0.3769226     8.521889  
1 1 1 -19 20  24 o 47.064  4.9356  1246.58    247.845  1192.06    386.175  1284.77    323.187  44.552  8.3086  47.159  6.5000  -2.607574      10.54903  
1 1 1 -19 20  25 o 33.400  6.6799  660.087    233.209  455.698    374.597  789.439    298.003  28.003  9.8972  36.102  7.8453  -8.099102      12.62946  
1 1 1 -19 20  26 o 3.2571  1.6481  -99.4957   28.666   510.384    391.849  -102.7771  28.743   28.692  10.125  3.2224  1.6327  25.47004       10.25531  
1 1 1 -19 20  27 o 17.893  7.3492  109.558    228.395  -62.2560   372.971  212.644    288.898  18.844  8.5259  21.144  8.4142  -2.299807      11.97871  
1 1 1 -19 20  28 o 18.143  8.4135  -151.6162  394.524  -151.6162  394.524  0.0000     0.0000   18.143  8.4135  ?       ?       0.000000       8.413453  
1 1 1 -19 20  29 o 24.711  10.071  379.943    424.748  379.943    424.748  0.0000     0.0000   24.711  10.071  ?       ?       0.000000       10.07108  
1 1 1 -19 20  30 o 28.317  12.338  699.177    710.370  699.177    710.370  0.0000     0.0000   28.317  12.338  ?       ?       0.000000       12.33842  
1 1 1 -19 20  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 21  1  o 133.874 3.1134  9716.07    451.441  9831.96    630.130  9593.88    647.075  134.604 4.3222  132.953 4.4935  1.650681       6.234815  
1 1 1 -19 21  2  o 163.257 3.4546  14452.69   610.856  14557.33   855.601  14343.91   872.406  163.746 4.8243  162.530 4.9558  1.216080       6.916176  
1 1 1 -19 21  3  o 54.872  3.0636  1637.35    181.348  1698.50    206.622  1432.27    378.401  55.862  3.4316  50.809  7.0674  5.052776       7.856483  
1 1 1 -19 21  4  o 239.749 4.4174  31194.99   1147.06  31446.16   1323.16  30435.29   2301.21  240.629 5.0769  236.014 9.0022  4.614822       10.33508  
1 1 1 -19 21  5  o 178.122 3.5968  17207.06   693.903  17129.25   799.930  17443.59   1394.73  177.676 4.1567  178.953 7.1958  -1.277420      8.310155  
1 1 1 -19 21  6  o 228.197 4.9542  28280.95   1224.48  29167.82   1498.46  26498.59   2124.30  231.598 5.9737  220.192 8.9072  11.40582       10.72490  
1 1 1 -19 21  7  o 45.830  4.3889  1150.56    215.195  1248.03    267.846  973.099    361.425  47.635  5.2803  41.487  8.3327  6.147724       9.864855  
1 1 1 -19 21  8  o 48.371  3.6051  1276.25    187.515  1206.47    216.972  1482.18    372.730  46.945  4.3155  51.719  6.8202  -4.773468      8.070875  
1 1 1 -19 21  9  o 212.230 4.0747  24449.31   936.635  25064.96   1080.23  22584.39   1880.09  214.811 4.6429  203.173 8.5436  11.63803       9.723707  
1 1 1 -19 21  10 o 139.648 3.2796  10578.67   496.049  10748.09   573.292  10073.96   989.494  140.725 3.7613  135.914 6.7217  4.810318       7.702481  
1 1 1 -19 21  11 o 121.224 3.0654  7971.27    402.476  7569.41    462.235  9231.01    818.402  118.091 3.6139  130.176 5.8045  -12.08521      6.837580  
1 1 1 -19 21  12 o 184.345 3.7203  18454.79   742.816  18949.13   857.888  16973.95   1484.81  186.720 4.2420  175.971 7.7904  10.74925       8.870445  
1 1 1 -19 21  13 o 71.751  3.2585  2795.00    253.231  2789.58    296.752  2809.54    485.720  71.544  3.8436  71.416  6.3456  0.1287079      7.418889  
1 1 1 -19 21  14 o 64.466  3.8699  2267.97    268.957  2081.96    341.506  2571.78    436.450  61.564  5.1694  68.326  5.9572  -6.761921      7.887398  
1 1 1 -19 21  15 o 58.438  3.4535  1863.12    217.618  1915.96    262.216  1746.19    390.075  59.174  4.1169  56.023  6.5523  3.150948       7.738311  
1 1 1 -19 21  16 o 83.417  3.1316  3782.79    282.934  4069.34    339.424  3130.34    512.178  86.463  3.6245  75.182  6.3492  11.28021       7.310858  
1 1 1 -19 21  17 o 72.543  3.3749  2864.59    265.172  2769.09    325.288  3053.79    457.835  71.095  4.2437  74.333  5.7309  -3.238228      7.131039  
1 1 1 -19 21  18 o 120.157 3.2432  7860.50    422.081  7891.06    488.989  7771.20    835.946  120.282 3.7534  118.340 6.5474  1.941536       7.546964  
1 1 1 -19 21  19 o 56.206  3.8298  1733.37    231.757  1797.91    324.968  1666.58    330.613  56.907  5.3346  54.685  5.6640  2.222363       7.780699  
1 1 1 -19 21  20 o 34.130  5.3656  657.608    191.798  557.706    255.390  786.841    290.470  30.895  7.6681  36.804  7.5402  -5.909386      10.75430  
1 1 1 -19 21  21 o 23.139  7.1441  302.437    197.022  396.457    280.062  210.314    277.223  26.517  8.5619  22.089  8.3929  4.427879       11.98946  
1 1 1 -19 21  22 o 43.864  5.1398  1080.14    239.558  901.485    374.589  1203.78    311.612  38.682  9.0939  45.901  6.4456  -7.218166      11.14653  
1 1 1 -19 21  23 o 39.058  5.6776  869.640    233.151  1086.80    364.910  719.833    303.082  42.744  8.1802  34.628  8.2064  8.115108       11.58703  
1 1 1 -19 21  24 f 41.219  5.7768  973.049    250.820  975.893    377.082  970.792    335.903  39.910  8.9448  40.244  7.9881  -0.3340874     11.99241  
1 1 1 -19 21  25 o 67.222  2.8602  2475.07    208.243  2409.01    251.185  2620.28    372.406  66.037  3.5246  68.175  5.0799  -2.137543      6.182861  
1 1 1 -19 21  26 o 81.220  3.6193  3656.81    318.393  3439.54    487.776  3818.11    420.278  77.143  5.8822  82.198  4.7408  -5.054237      7.554824  
1 1 1 -19 21  27 o 55.373  2.5982  1687.76    155.827  1696.19    422.652  1686.44    167.637  51.979  7.7438  55.207  2.8129  -3.228428      8.238831  
1 1 1 -19 21  28 o 17.443  3.1366  173.985    57.080   173.985    57.080   0.0000     0.0000   17.443  3.1366  ?       ?       0.000000       3.136638  
1 1 1 -19 21  29 o 31.657  11.405  816.465    499.736  816.465    499.736  0.0000     0.0000   31.657  11.405  ?       ?       0.000000       11.40537  
1 1 1 -19 21  30 o 22.663  10.708  -5.6961    691.235  -5.6961    691.235  0.0000     0.0000   22.663  10.708  ?       ?       0.000000       10.70819  
1 1 1 -19 21  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 22  1  f 240.070 4.4714  31280.69   1162.65  31078.21   1640.09  31485.22   1648.41  239.026 6.3351  240.588 6.3259  -1.561661      8.952657  
1 1 1 -19 22  2  o 120.247 2.6568  7836.63    346.028  7504.77    438.545  8384.04    563.244  117.643 3.4417  124.305 4.1835  -6.662094      5.417305  
1 1 1 -19 22  3  o 147.938 3.2612  11866.15   522.549  12481.61   601.528  9973.16    1054.94  151.703 3.6609  135.125 7.2344  16.57816       8.107955  
1 1 1 -19 22  4  o 286.936 5.3845  44731.78   1673.42  45501.05   1801.85  39905.29   4513.30  289.327 5.7499  267.395 15.652  21.93231       16.67468  
1 1 1 -19 22  5  o 245.241 4.4953  32646.03   1194.06  32659.20   1377.70  32606.28   2393.74  245.197 5.1876  244.233 9.0491  0.9638824      10.43058  
1 1 1 -19 22  6  o 114.518 2.9689  7109.61    368.254  7561.01    424.616  5739.79    739.688  118.082 3.3200  102.460 6.7023  15.62193       7.479524  
1 1 1 -19 22  7  f 151.494 4.7434  12464.16   778.313  12729.85   1108.81  12206.10   1092.77  152.885 6.6961  149.701 6.7396  3.183670       9.500512  
1 1 1 -19 22  8  o 53.021  3.5041  1531.55    200.094  1634.81    233.893  1249.70    386.423  54.742  3.9718  47.232  7.8277  7.509743       8.777726  
1 1 1 -19 22  9  o 169.160 3.5160  15524.34   644.188  15465.89   741.721  15703.78   1299.60  168.792 4.0571  169.674 7.0717  -0.8827972     8.152862  
1 1 1 -19 22  10 o 157.529 3.4163  13463.90   582.896  13240.10   671.974  14144.16   1171.54  156.163 3.9729  161.030 6.7171  -4.867050      7.804029  
1 1 1 -19 22  11 o 94.651  2.9970  4859.53    307.240  4791.25    353.378  5071.00    621.891  93.958  3.4725  96.273  5.9937  -2.315361      6.926969  
1 1 1 -19 22  12 o 148.990 3.3756  12050.01   544.735  11935.39   629.987  12389.64   1084.42  148.219 3.9243  150.563 6.6498  -2.344131      7.721420  
1 1 1 -19 22  13 o 195.131 3.9855  20699.96   842.333  21299.77   923.065  17713.94   2059.55  197.874 4.3070  178.085 10.728  19.78960       11.56003  
1 1 1 -19 22  14 o 98.735  3.4772  5297.67    371.855  5316.56    456.592  5260.46    640.816  98.825  4.2657  97.860  6.0759  0.9652634      7.423775  
1 1 1 -19 22  15 o 94.643  2.9973  4865.60    307.251  4741.52    359.208  5203.87    593.102  93.371  3.5519  97.342  5.6498  -3.971046      6.673560  
1 1 1 -19 22  16 o 82.329  3.1733  3685.52    282.971  3718.03    338.975  3610.78    513.953  82.621  3.7880  80.885  5.9075  1.736824       7.017607  
1 1 1 -19 22  17 o 34.497  5.4516  668.541    196.925  853.375    240.018  287.874    344.450  38.976  5.8675  25.312  9.4107  13.66384       11.09001  
1 1 1 -19 22  18 o 103.243 3.1991  5803.05    357.729  5629.07    417.600  6282.67    693.369  101.575 3.7958  106.551 6.0329  -4.975662      7.127660  
1 1 1 -19 22  19 o 85.565  3.4577  3993.41    320.450  3747.20    375.951  4647.56    612.790  82.638  4.2143  91.382  6.2284  -8.743317      7.520212  
1 1 1 -19 22  20 o 105.028 3.1710  6014.69    360.720  5444.29    508.883  6590.75    511.395  99.513  4.7214  109.628 4.3069  -10.11517      6.390669  
1 1 1 -19 22  21 o 72.071  3.5213  2840.34    274.872  2784.93    401.538  2889.21    377.069  70.757  5.2775  72.223  4.8484  -1.466339      7.166503  
1 1 1 -19 22  22 o 89.238  3.3848  4358.02    327.156  4598.85    487.284  4160.38    441.443  91.002  4.9625  86.645  4.7217  4.356918       6.849916  
1 1 1 -19 22  23 o 46.237  4.9051  1199.35    241.893  1352.28    377.857  1093.15    314.871  48.095  7.4981  43.383  6.9345  4.711983       10.21322  
1 1 1 -19 22  24 o 17.685  7.2705  78.001     223.780  -396.1550  370.137  351.168    280.941  16.260  7.7275  25.004  8.5883  -8.743755      11.55307  
1 1 1 -19 22  25 o 29.529  7.4579  528.055    238.590  525.096    394.499  529.761    299.592  29.461  10.174  29.338  8.7594  0.1231155      13.42509  
1 1 1 -19 22  26 o 41.895  2.1120  960.781    95.527   979.423    100.214  775.354    316.054  42.282  2.1958  34.982  8.4389  7.299801       8.719865  
1 1 1 -19 22  27 o 44.793  5.4890  1180.68    260.726  1172.29    429.505  1185.58    328.092  41.302  9.7566  43.720  7.1778  -2.418270      12.11248  
1 1 1 -19 22  28 o 26.496  10.486  457.184    446.358  457.184    446.358  0.0000     0.0000   26.496  10.486  ?       ?       0.000000       10.48560  
1 1 1 -19 22  29 o 36.577  10.920  1052.89    465.588  1052.89    465.588  0.0000     0.0000   36.577  10.920  ?       ?       0.000000       10.91951  
1 1 1 -19 22  30 o 22.247  10.827  -321.7638  834.316  -321.7638  834.316  0.0000     0.0000   22.247  10.827  ?       ?       0.000000       10.82702  
1 1 1 -19 22  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 23  1  o 183.802 3.3096  18317.82   658.870  18335.27   846.282  18290.97   1049.85  183.816 4.2507  183.492 5.2825  0.3233795      6.780348  
1 1 1 -19 23  2  o 273.233 4.9368  40540.52   1460.98  40562.02   1685.24  40475.44   2931.14  273.182 5.6956  271.882 9.9537  1.300232       11.46806  
1 1 1 -19 23  3  o 329.527 5.8128  59029.68   2074.65  60401.68   2394.38  54896.81   4155.67  333.143 6.6358  315.773 12.151  17.37012       13.84447  
1 1 1 -19 23  4  o 140.591 3.1590  10716.48   481.032  10691.76   552.995  10793.34   975.156  140.403 3.6364  140.847 6.3923  -0.4436646     7.354250  
1 1 1 -19 23  5  o 105.454 2.8929  6028.34    330.419  6207.95    378.952  5458.76    674.826  106.999 3.2699  99.975  6.2637  7.024879       7.065835  
1 1 1 -19 23  6  o 346.421 5.9686  65275.25   2239.49  63680.31   2584.65  70079.28   4485.72  341.888 6.9799  356.780 11.608  -14.89252      13.54498  
1 1 1 -19 23  7  o 115.707 4.2802  7267.58    536.402  7841.01    757.069  6689.54    760.114  120.064 5.8217  110.670 6.3681  9.393570       8.628207  
1 1 1 -19 23  8  o 141.260 3.2590  10822.07   498.621  10991.26   576.762  10321.46   992.080  142.327 3.7415  137.636 6.6549  4.690414       7.634561  
1 1 1 -19 23  9  o 242.877 4.7053  32051.33   1237.78  32615.62   1340.16  28775.69   3228.90  244.944 5.0515  227.234 13.176  17.70987       14.11100  
1 1 1 -19 23  10 o 74.997  2.5935  3049.37    210.670  3021.75    283.769  3083.29    314.453  74.622  3.5110  75.263  3.8706  -0.6409225     5.225746  
1 1 1 -19 23  11 o 93.012  2.7710  4691.75    279.151  4849.24    341.420  4374.17    484.836  94.529  3.3347  89.524  5.0205  5.005768       6.027013  
1 1 1 -19 23  12 o 143.004 3.2902  11100.85   509.612  10642.79   589.013  12464.56   1016.31  139.958 3.8856  151.081 6.2108  -11.12321      7.326089  
1 1 1 -19 23  13 o 184.012 3.7279  18401.28   742.989  18114.43   857.357  19266.47   1488.97  182.460 4.3383  187.354 7.3376  -4.894180      8.524137  
1 1 1 -19 23  14 o 39.374  4.5117  855.463    188.930  989.023    222.909  514.781    356.012  42.298  4.9598  30.550  9.6313  11.74772       10.83329  
1 1 1 -19 23  15 o 91.254  2.9734  4523.67    293.884  4800.28    344.483  3784.06    563.300  93.960  3.3850  82.780  6.3307  11.18011       7.178808  
1 1 1 -19 23  16 o 173.258 3.6304  16344.18   681.260  16494.76   791.973  15915.68   1335.94  173.895 4.2049  169.606 7.2724  4.288712       8.400487  
1 1 1 -19 23  17 o 134.597 3.4297  9865.05    499.984  9585.35    572.640  10762.25   1025.60  132.547 3.9888  139.473 6.7892  -6.925766      7.874245  
1 1 1 -19 23  18 o 115.567 3.1607  7270.97    395.625  7636.77    464.692  6307.40    754.196  118.341 3.6254  106.526 6.5687  11.81466       7.502817  
1 1 1 -19 23  19 o 166.347 3.6353  15107.45   654.984  14392.83   759.621  17178.64   1293.20  162.093 4.3268  175.622 6.7986  -13.52925      8.058633  
1 1 1 -19 23  20 o 35.063  2.4839  671.956    93.720   1091.89    299.807  626.476    98.664   43.830  6.5134  33.818  2.7165  10.01194       7.057200  
1 1 1 -19 23  21 o 45.811  4.6805  1167.76    228.974  1563.75    337.981  831.823    311.298  52.661  6.0345  37.634  7.8892  15.02696       9.932549  
1 1 1 -19 23  22 f 31.711  6.8958  588.737    230.100  1046.36    372.647  306.737    292.529  41.922  8.4980  24.360  8.7314  17.56197       12.18417  
1 1 1 -19 23  23 o 29.085  7.3056  502.328    229.833  -38.0221   374.391  829.112    291.151  20.167  8.8675  37.463  7.4378  -17.29632      11.57379  
1 1 1 -19 23  24 o 57.940  2.5603  1832.53    160.673  1848.56    181.869  1775.51    342.942  58.130  2.8886  55.885  5.7477  2.244537       6.432707  
1 1 1 -19 23  25 o 60.945  4.1490  2070.69    272.241  2117.71    421.179  2036.94    356.796  60.391  6.5437  59.766  5.5762  0.6253891      8.597373  
1 1 1 -19 23  26 o 109.128 3.3714  6589.86    398.485  7516.95    593.483  5828.80    537.719  115.345 4.7505  101.441 4.8941  13.90362       6.820488  
1 1 1 -19 23  27 o 67.158  5.0151  2608.08    362.164  2613.40    477.673  2600.88    555.430  65.506  6.8331  63.838  8.2244  1.668533       10.69259  
1 1 1 -19 23  28 o 28.791  11.066  600.013    485.338  600.013    485.338  0.0000     0.0000   28.791  11.066  ?       ?       0.000000       11.06551  
1 1 1 -19 23  29 o 7.3863  3.1288  3.5981     43.314   3.5981     43.314   0.0000     0.0000   7.3863  3.1288  ?       ?       0.000000       3.128810  
1 1 1 -19 23  30 o 26.307  11.841  489.479    708.609  489.479    708.609  0.0000     0.0000   26.307  11.841  ?       ?       0.000000       11.84077  
1 1 1 -19 23  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 24  1  o 86.052  2.5117  4013.05    234.101  3982.38    287.285  4073.68    403.873  85.706  3.0948  86.639  4.3039  -0.9324570     5.301075  
1 1 1 -19 24  2  o 51.291  3.1178  1431.56    172.384  1374.34    192.941  1657.97    383.797  50.213  3.5709  54.805  6.5982  -4.592064      7.502466  
1 1 1 -19 24  3  o 143.660 3.2034  11189.86   498.440  11207.53   572.595  11134.62   1012.72  143.747 3.6777  143.038 6.5368  0.7080078      7.500364  
1 1 1 -19 24  4  o 95.058  2.8244  4898.10    290.792  4917.06    332.222  4835.98    601.317  95.229  3.2210  94.120  5.9290  1.109108       6.747387  
1 1 1 -19 24  5  o 160.409 3.4099  13954.38   592.436  14158.28   681.958  13327.08   1196.14  161.542 3.8977  156.400 7.0611  5.142029       8.065448  
1 1 1 -19 24  6  o 197.605 3.8262  21185.50   818.899  21035.04   944.263  21641.97   1644.71  196.840 4.4290  199.175 7.6241  -2.335312      8.817178  
1 1 1 -19 24  7  o 172.475 4.1096  16146.07   767.704  16388.73   939.533  15658.56   1331.71  173.674 4.9947  169.450 7.2560  4.223404       8.808885  
1 1 1 -19 24  8  o 88.117  3.4331  4211.98    327.658  4168.93    402.064  4297.11    565.369  87.628  4.2363  88.663  5.9214  -1.035049      7.280746  
1 1 1 -19 24  9  o 150.893 3.3305  12351.57   544.320  12219.07   628.834  12747.53   1087.05  150.037 3.8696  152.917 6.5633  -2.879913      7.619135  
1 1 1 -19 24  10 o 131.579 3.1496  9391.87    448.866  9129.92    515.460  10213.71   913.025  129.692 3.6695  136.888 6.1581  -7.196030      7.168526  
1 1 1 -19 24  11 o 110.937 3.0222  6676.71    363.137  6554.30    426.485  6999.41    692.466  109.876 3.5837  113.338 5.6410  -3.461815      6.683054  
1 1 1 -19 24  12 o 111.190 3.0633  6709.50    368.911  6741.04    426.916  6616.48    733.029  111.412 3.5378  109.892 6.1838  1.520485       7.124298  
1 1 1 -19 24  13 f 105.972 3.0095  6095.96    345.430  6156.19    398.531  5914.06    692.618  106.455 3.4564  103.809 6.1883  2.646187       7.088119  
1 1 1 -19 24  14 o 157.776 3.4336  13529.86   586.760  13303.12   678.641  14201.31   1167.81  156.346 4.0076  160.829 6.7041  -4.482803      7.810595  
1 1 1 -19 24  15 o 109.716 3.0496  6541.05    362.395  6136.71    420.413  7710.25    714.905  106.193 3.6552  118.655 5.5628  -12.46213      6.656183  
1 1 1 -19 24  16 o 37.219  4.9627  770.846    195.069  628.540    247.333  1005.05    317.295  33.112  7.1088  42.067  7.2242  -8.954353      10.13528  
1 1 1 -19 24  17 o 54.106  3.8789  1604.76    225.807  1331.52    270.431  2233.90    410.359  49.012  5.1724  63.403  6.0490  -14.39066      7.958905  
1 1 1 -19 24  18 o 66.590  3.6647  2425.92    263.298  1949.86    318.847  3446.50    466.850  59.403  5.0023  78.954  5.4935  -19.55109      7.429761  
1 1 1 -19 24  19 o 64.435  3.8533  2277.23    267.686  2346.59    321.165  2119.41    484.461  65.246  4.5736  61.092  7.4777  4.154171       8.765486  
1 1 1 -19 24  20 o 75.784  3.3537  3134.82    275.273  3290.79    389.453  2979.09    389.137  77.225  4.6782  73.389  4.9241  3.836205       6.792064  
1 1 1 -19 24  21 o 109.943 3.2671  6602.84    389.046  5791.41    559.901  7360.35    540.977  102.355 5.0505  115.707 4.3167  -13.35201      6.643846  
1 1 1 -19 24  22 o 91.798  3.4313  4614.66    341.161  4574.80    520.386  4644.70    451.801  90.551  5.3294  91.712  4.5483  -1.161118      7.006422  
1 1 1 -19 24  23 o 28.987  7.3197  499.478    229.856  451.077    370.940  529.647    292.858  28.235  9.8588  29.682  8.6074  -1.446695      13.08750  
1 1 1 -19 24  24 o 52.166  2.5931  1485.87    146.515  1703.52    397.008  1451.56    157.643  54.155  6.9272  51.442  2.8404  2.713055       7.486895  
1 1 1 -19 24  25 o 26.091  1.8960  372.551    53.212   613.715    363.791  367.278    53.791   31.213  9.7194  25.900  1.9314  5.313339       9.909461  
1 1 1 -19 24  26 o 34.647  7.0516  733.533    255.622  879.571    444.167  661.209    312.575  35.756  10.663  32.003  8.7614  3.752956       13.80108  
1 1 1 -19 24  27 o 64.483  3.1084  2307.16    217.098  2249.19    236.849  2611.91    543.049  63.400  3.4622  64.186  7.9839  -0.7859306     8.702240  
1 1 1 -19 24  28 o 33.484  11.383  877.628    493.345  877.628    493.345  0.0000     0.0000   33.484  11.383  ?       ?       0.000000       11.38260  
1 1 1 -19 24  29 o 27.981  11.021  600.502    490.977  600.502    490.977  0.0000     0.0000   27.981  11.021  ?       ?       0.000000       11.02132  
1 1 1 -19 24  30 o 27.435  12.144  626.278    713.469  626.278    713.469  0.0000     0.0000   27.435  12.144  ?       ?       0.000000       12.14396  
1 1 1 -19 24  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 25  1  o 107.331 2.8851  6244.86    335.400  6650.94    383.235  4916.01    693.264  110.754 3.1947  94.778  6.7986  15.97627       7.511785  
1 1 1 -19 25  2  o 167.506 3.6519  15218.92   662.557  15017.05   729.467  16170.33   1583.64  166.362 4.0484  172.067 8.4974  -5.705826      9.412549  
1 1 1 -19 25  3  o 86.527  2.7717  4058.22    259.756  4105.55    294.275  3891.26    552.744  87.019  3.1223  84.364  6.0901  2.654655       6.843809  
1 1 1 -19 25  4  o 58.782  2.8980  1873.11    184.503  1915.77    207.773  1714.03    401.239  59.351  3.2444  55.697  6.7919  3.654026       7.527011  
1 1 1 -19 25  5  o 177.634 3.6014  17115.83   692.890  16832.28   797.535  17988.68   1399.27  176.107 4.1812  181.681 7.1108  -5.573807      8.249047  
1 1 1 -19 25  6  o 220.636 4.3177  26426.82   1031.80  27344.07   1121.45  21368.22   2633.61  224.394 4.6142  196.298 12.451  28.09605       13.27892  
1 1 1 -19 25  7  o 43.806  4.3487  1052.08    203.600  1099.50    251.141  961.158    347.761  44.664  5.2946  41.249  8.0730  3.415173       9.654299  
1 1 1 -19 25  8  o 330.661 7.4440  59691.73   2665.98  59185.46   2954.80  61908.23   6182.55  328.936 8.2937  330.524 17.330  -1.587585      19.21277  
1 1 1 -19 25  9  o 314.974 5.5026  53986.70   1877.19  52035.28   2166.23  59870.58   3761.50  308.944 6.4738  329.584 10.537  -20.64084      12.36695  
1 1 1 -19 25  10 o 94.983  2.9984  4893.56    308.462  4440.62    353.633  6334.53    630.759  90.448  3.6098  107.737 5.4227  -17.28918      6.514351  
1 1 1 -19 25  11 o 139.432 3.2025  10550.27   483.646  9719.32    555.994  13134.41   980.485  133.768 3.8375  155.201 5.8328  -21.43358      6.981950  
1 1 1 -19 25  12 o 132.818 3.1777  9575.83    457.123  9464.75    526.840  9914.17    919.504  131.992 3.6852  134.680 6.3035  -2.687988      7.301692  
1 1 1 -19 25  13 o 135.724 3.1949  10003.42   469.657  9402.75    541.533  11826.39   943.406  131.511 3.8018  147.083 5.9220  -15.57150      7.037317  
1 1 1 -19 25  14 o 114.041 3.0828  7064.52    380.789  6832.08    441.430  7740.47    752.779  112.083 3.6362  118.907 5.8451  -6.823494      6.883828  
1 1 1 -19 25  15 o 40.559  4.2946  906.845    185.789  814.721    217.081  1159.09    359.209  38.215  5.3947  45.199  7.6077  -6.983589      9.326308  
1 1 1 -19 25  16 o 18.153  6.6783  145.835    172.623  407.730    225.900  -221.7235  267.619  26.736  7.4977  14.952  6.9323  11.78428       10.21134  
1 1 1 -19 25  17 o 41.556  4.8046  957.762    212.264  896.656    260.138  1079.50    367.175  39.870  6.2276  43.315  8.1248  -3.445202      10.23700  
1 1 1 -19 25  18 f 108.308 3.2786  6390.32    384.610  6496.10    458.175  6137.95    707.712  109.073 3.8783  105.167 6.2410  3.905838       7.347907  
1 1 1 -19 25  19 o 67.799  2.7398  2501.23    201.189  2342.62    324.694  2600.08    256.325  65.169  4.6302  69.032  3.4282  -3.863197      5.761180  
1 1 1 -19 25  20 o 118.414 3.2148  7649.76    412.313  7198.69    582.512  8102.65    583.688  114.393 4.7015  121.466 4.4366  -7.073563      6.464357  
1 1 1 -19 25  21 o 87.285  3.2546  4162.19    307.691  3922.27    437.061  4397.93    433.245  84.169  4.8142  89.264  4.4955  -5.095062      6.586850  
1 1 1 -19 25  22 o 55.037  2.4350  1649.79    145.150  1680.06    383.353  1644.72    156.827  54.194  6.6718  54.926  2.6362  -0.7312393     7.173723  
1 1 1 -19 25  23 o 42.081  5.3396  1003.46    237.889  872.199    367.735  1097.93    311.956  37.746  9.1009  43.460  6.8544  -5.713825      11.39340  
1 1 1 -19 25  24 o 69.385  3.8025  2661.46    284.676  2975.10    431.429  2419.59    378.860  72.568  5.5307  65.475  5.3903  7.093140       7.722932  
1 1 1 -19 25  25 o 23.963  7.9384  334.782    240.077  504.325    420.253  252.648    292.504  29.059  10.460  22.678  8.6201  6.380411       13.55439  
1 1 1 -19 25  26 o 13.483  6.3178  -190.1110  231.902  0.1768     413.109  -277.6659  280.220  20.693  9.1962  14.210  6.7446  6.483344       11.40439  
1 1 1 -19 25  27 o 16.736  7.6527  -103.0571  310.584  -399.2693  461.973  141.251    419.550  17.716  8.4784  22.004  9.5352  -4.288187      12.75946  
1 1 1 -19 25  28 o 22.971  9.8612  221.509    440.535  221.509    440.535  0.0000     0.0000   22.971  9.8612  ?       ?       0.000000       9.861221  
1 1 1 -19 25  29 o 27.419  10.998  564.866    497.546  564.866    497.546  0.0000     0.0000   27.419  10.998  ?       ?       0.000000       10.99791  
1 1 1 -19 25  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 26  1  o 146.913 3.2717  11703.93   520.603  12188.10   597.896  10186.06   1058.63  149.895 3.6827  136.529 7.1842  13.36620       8.073132  
1 1 1 -19 26  2  o 184.363 3.7562  18438.91   750.045  19222.32   863.471  16030.77   1513.89  188.195 4.2361  171.356 8.1569  16.83852       9.191264  
1 1 1 -19 26  3  o 255.346 4.7062  35406.17   1301.58  35483.25   1500.58  35171.97   2615.52  255.510 5.4223  253.435 9.5284  2.074600       10.96319  
1 1 1 -19 26  4  o 72.275  2.7830  2831.68    217.861  2765.40    246.281  3070.17    467.165  71.414  3.1840  74.914  5.8028  -3.500252      6.618957  
1 1 1 -19 26  5  o 174.903 3.5508  16593.57   672.658  16460.33   774.436  17002.89   1357.39  174.152 4.1057  176.618 7.0957  -2.466812      8.197942  
1 1 1 -19 26  6  o 252.512 4.6259  34629.27   1265.18  35067.21   1459.66  33306.47   2536.81  253.990 5.3060  246.515 9.5011  7.474701       10.88230  
1 1 1 -19 26  7  o 255.610 5.3969  35528.35   1494.14  35004.92   1828.54  36580.04   2591.89  253.449 6.6611  258.339 9.2631  -4.890366      11.40944  
1 1 1 -19 26  8  o 50.268  4.1628  1381.36    224.603  1511.22    276.632  1130.15    384.746  52.501  4.9223  44.765  8.2389  7.735817       9.597286  
1 1 1 -19 26  9  o 115.807 3.0346  7274.04    380.634  7413.38    439.736  6857.68    760.144  116.883 3.4735  111.989 6.2924  4.894775       7.187442  
1 1 1 -19 26  10 o 105.350 3.0245  6020.67    345.114  5893.20    396.095  6422.43    703.212  104.199 3.5097  108.375 6.0144  -4.176514      6.963571  
1 1 1 -19 26  11 o 102.495 3.0036  5699.98    333.437  5786.89    382.428  5424.48    680.908  103.244 3.4199  99.462  6.3538  3.782654       7.215753  
1 1 1 -19 26  12 f 159.396 3.5689  13801.74   616.148  13812.93   684.112  13753.69   1417.95  159.403 3.9624  157.833 8.3240  1.569870       9.218946  
1 1 1 -19 26  13 o 79.466  3.0683  3428.89    264.088  2979.68    305.567  4754.79    524.973  73.926  3.8294  93.202  5.2215  -19.27570      6.475204  
1 1 1 -19 26  14 o 77.353  3.1837  3251.20    266.732  2985.70    312.886  3957.28    510.252  73.962  3.9198  84.870  5.5820  -10.90830      6.820805  
1 1 1 -19 26  15 o 108.957 3.1825  6454.17    375.573  6500.93    440.338  6329.35    719.433  109.273 3.7205  107.138 6.2267  2.135109       7.253521  
1 1 1 -19 26  16 o 45.883  4.3300  1159.43    212.640  1162.77    258.209  1152.37    374.833  45.759  5.3085  44.880  8.0046  0.8785439      9.604841  
1 1 1 -19 26  17 o 57.292  3.8006  1797.85    234.498  2028.56    283.818  1301.57    416.266  60.772  4.3404  47.576  8.3844  13.19557       9.441303  
1 1 1 -19 26  18 o 63.791  3.7111  2228.19    255.303  2188.44    310.038  2311.91    449.972  63.040  4.5719  64.256  6.5574  -1.216110      7.993855  
1 1 1 -19 26  19 o 26.847  7.0055  417.344    205.863  311.516    260.666  592.762    335.600  24.247  8.2737  31.821  9.2102  -7.574284      12.38071  
1 1 1 -19 26  20 o 21.843  7.9149  230.861    241.154  169.707    297.329  348.435    412.266  21.748  8.5734  27.276  10.265  -5.527927      13.37422  
1 1 1 -19 26  21 o 31.025  6.4113  557.564    208.314  401.099    296.300  710.491    292.931  26.710  8.8177  34.666  7.9685  -7.956160      11.88484  
1 1 1 -19 26  22 o 36.023  6.0222  745.015    226.671  721.452    349.633  762.100    297.713  34.482  9.1936  35.817  7.8876  -1.334938      12.11352  
1 1 1 -19 26  23 o 76.244  3.5889  3194.04    296.375  3516.61    445.994  2938.94    396.613  79.211  5.2279  72.452  5.0864  6.758759       7.293951  
1 1 1 -19 26  24 o 15.335  6.7842  -47.9604   222.364  70.249     372.154  -113.5957  277.309  21.407  9.1232  16.268  7.3567  5.139235       11.71980  
1 1 1 -19 26  25 o 48.433  5.2254  1337.80    269.774  1910.34    471.955  1059.94    328.782  56.276  7.9655  41.943  7.5133  14.33291       10.94984  
1 1 1 -19 26  26 o 22.009  7.9454  274.124    242.689  373.254    424.038  225.835    295.953  25.941  10.235  21.716  8.5559  4.224495       13.33980  
1 1 1 -19 26  27 o 52.379  6.4651  1661.20    358.994  1352.12    508.364  1968.66    507.026  43.110  10.885  54.732  8.8555  -11.62197      14.03252  
1 1 1 -19 26  28 o 13.231  3.0376  101.085    42.611   101.085    42.611   0.0000     0.0000   13.231  3.0376  ?       ?       0.000000       3.037594  
1 1 1 -19 26  29 o 19.313  8.9688  -93.1961   450.697  -93.1961   450.697  0.0000     0.0000   19.313  8.9688  ?       ?       0.000000       8.968770  
1 1 1 -19 26  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 27  1  o 128.701 3.0592  8980.86    426.438  9075.97    488.327  8675.38    875.191  129.358 3.4854  126.076 6.4305  3.281197       7.314303  
1 1 1 -19 27  2  o 140.260 3.2484  10668.00   493.490  10802.10   551.673  10130.99   1104.00  141.116 3.6094  136.087 7.5192  5.029510       8.340617  
1 1 1 -19 27  3  o 297.189 5.2498  47997.89   1689.82  47846.79   1949.02  48455.35   3391.25  296.547 6.0681  297.035 10.541  -0.4881592     12.16284  
1 1 1 -19 27  4  o 62.892  2.8467  2144.28    193.911  2239.64    218.305  1787.71    422.147  64.268  3.1362  56.855  7.0034  7.413132       7.673499  
1 1 1 -19 27  5  o 110.152 2.8447  6578.00    339.390  6726.99    393.876  6148.47    668.783  111.374 3.2652  106.155 5.8391  5.219551       6.690068  
1 1 1 -19 27  6  o 167.377 3.4364  15196.37   622.974  14842.21   717.486  16281.30   1255.78  165.367 4.0058  172.854 6.7075  -7.487427      7.812667  
1 1 1 -19 27  7  o 194.397 4.4391  20524.42   934.667  21652.13   1144.10  18261.50   1620.68  199.546 5.2936  182.738 8.1884  16.80748       9.750484  
1 1 1 -19 27  8  o 205.674 4.6038  22985.23   1025.57  23281.44   1255.03  22389.86   1779.28  206.830 5.6023  202.283 8.1211  4.546768       9.866014  
1 1 1 -19 27  9  o 72.207  3.0396  2828.11    237.721  2904.94    274.982  2600.84    472.949  73.164  3.4701  68.762  6.4247  4.401749       7.301963  
1 1 1 -19 27  10 o 163.131 3.4686  14445.21   612.866  14206.26   706.712  15169.98   1230.79  161.710 4.0349  166.621 6.8200  -4.910614      7.924175  
1 1 1 -19 27  11 o 205.071 3.9799  22854.06   883.988  22369.40   1019.45  24322.94   1774.75  202.757 4.6421  210.525 7.7833  -7.767380      9.062515  
1 1 1 -19 27  12 o 81.502  2.7529  3604.13    243.009  3318.12    322.779  3978.34    369.217  78.133  3.8142  85.539  3.9852  -7.406578      5.516293  
1 1 1 -19 27  13 o 60.418  3.4611  1990.23    225.549  2050.62    264.310  1828.44    432.638  61.262  4.0054  57.259  7.1305  4.002628       8.178498  
1 1 1 -19 27  14 o 99.474  3.0220  5375.39    325.595  5351.77    377.918  5443.40    641.347  99.200  3.5173  99.478  5.9802  -0.2778244     6.937924  
1 1 1 -19 27  15 f 166.990 3.5583  15177.31   643.583  14971.35   745.393  15780.56   1275.69  165.704 4.1532  169.086 6.9658  -3.382553      8.109916  
1 1 1 -19 27  16 o 19.357  7.0989  168.467    194.837  45.142     235.604  435.254    346.529  17.777  7.3977  28.465  9.5404  -10.68899      12.07252  
1 1 1 -19 27  17 o 94.437  3.2095  4854.72    328.285  4712.00    388.280  5212.50    614.769  92.933  3.8575  97.103  5.8730  -4.170494      7.026513  
1 1 1 -19 27  18 o 23.625  7.1731  313.881    199.670  385.951    249.014  184.101    334.157  26.141  8.0251  23.000  9.0819  3.140577       12.11957  
1 1 1 -19 27  19 o 50.916  4.2729  1430.29    233.461  1196.55    287.630  1881.63    399.683  46.137  5.8903  57.821  6.4944  -11.68357      8.767674  
1 1 1 -19 27  20 o 61.225  4.0264  2062.87    265.516  2152.69    320.586  1866.70    473.795  62.348  4.7838  56.949  7.8935  5.398708       9.229935  
1 1 1 -19 27  21 o 44.620  4.8434  1111.97    230.314  982.541    339.500  1222.32    313.479  40.892  7.9516  46.303  6.4237  -5.410980      10.22213  
1 1 1 -19 27  22 o 47.316  4.7521  1251.06    240.242  929.894    366.914  1492.07    317.850  39.264  8.8407  51.340  5.8188  -12.07675      10.58380  
1 1 1 -19 27  23 o 63.201  2.6534  2180.63    181.634  2251.06    211.493  1982.68    354.558  64.133  3.0447  59.220  5.5940  4.912811       6.368940  
1 1 1 -19 27  24 o 21.388  7.8674  228.562    239.556  120.331    437.074  275.035    286.406  23.444  9.9353  23.249  8.5935  0.1953220      13.13617  
1 1 1 -19 27  25 o 25.092  2.9324  350.203    78.192   322.818    80.781   756.982    311.338  24.020  3.1835  34.857  8.3552  -10.83738      8.941130  
1 1 1 -19 27  26 o 36.075  6.9735  798.529    262.617  1351.10    473.578  553.151    315.585  44.690  10.030  29.048  9.0538  15.64144       13.51200  
1 1 1 -19 27  27 o 49.757  9.0669  1647.39    470.627  1647.39    470.627  0.0000     0.0000   49.757  9.0669  ?       ?       0.000000       9.066898  
1 1 1 -19 27  28 o 29.652  11.139  666.182    485.011  666.182    485.011  0.0000     0.0000   29.652  11.139  ?       ?       0.000000       11.13870  
1 1 1 -19 27  29 o 17.441  8.4185  -406.1303  478.325  -406.1303  478.325  0.0000     0.0000   17.441  8.4185  ?       ?       0.000000       8.418550  
1 1 1 -19 27  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 28  1  o 38.482  1.5902  802.237    66.280   801.309    67.631   824.773    333.251  38.460  1.6236  38.128  8.3048  0.3318291      8.462036  
1 1 1 -19 28  2  o 184.478 3.6743  18462.45   734.163  18068.77   844.273  19683.34   1486.78  182.444 4.2725  190.004 7.2246  -7.559860      8.393408  
1 1 1 -19 28  3  o 182.616 3.6545  18091.52   722.826  17989.81   831.638  18405.68   1461.64  182.049 4.2177  183.709 7.3458  -1.659805      8.470501  
1 1 1 -19 28  4  o 313.891 5.4579  53568.50   1855.56  53838.54   2140.86  52753.05   3720.29  314.479 6.2853  309.590 11.095  4.888794       12.75146  
1 1 1 -19 28  5  o 30.683  4.2547  520.805    137.591  670.409    152.998  -111.7815  314.611  34.902  4.1272  18.113  8.0388  16.78859       9.036328  
1 1 1 -19 28  6  o 19.964  1.9112  217.928    40.820   452.033    157.765  201.131    42.259   28.376  5.3289  19.154  2.0699  9.221607       5.716821  
1 1 1 -19 28  7  o 115.242 2.9612  7201.77    369.619  7250.48    424.642  7049.52    750.795  115.607 3.3913  113.607 6.1242  1.999771       7.000535  
1 1 1 -19 28  8  o 186.327 4.3123  18859.02   870.278  19015.55   1064.55  18543.61   1511.12  186.961 5.2571  184.179 7.5751  2.782150       9.220593  
1 1 1 -19 28  9  o 167.108 3.5248  15156.73   637.982  15267.62   736.925  14824.98   1274.68  167.658 4.0582  164.699 7.1456  2.958496       8.217602  
1 1 1 -19 28  10 o 207.462 4.0099  23384.72   901.030  23321.64   1040.06  23574.48   1803.92  207.069 4.6374  207.290 8.0347  -0.2209320     9.276928  
1 1 1 -19 28  11 o 97.294  3.0397  5137.35    320.325  5284.79    368.606  4682.52    647.402  98.651  3.4498  92.313  6.5169  6.337692       7.373667  
1 1 1 -19 28  12 o 74.400  3.0800  3005.12    248.196  3131.02    285.262  2612.89    503.498  75.917  3.4692  68.710  6.8572  7.206734       7.684818  
1 1 1 -19 28  13 o 157.608 3.4006  13499.92   580.508  13497.53   670.332  13507.10   1160.92  157.501 3.9295  156.811 6.8352  0.6894836      7.884247  
1 1 1 -19 28  14 o 100.595 3.0309  5498.14    330.232  5329.94    383.093  5984.62    651.500  98.982  3.5734  104.347 5.7872  -5.365639      6.801514  
1 1 1 -19 28  15 o 50.946  3.8732  1422.17    212.123  1342.92    251.779  1616.02    393.767  49.346  4.7703  53.687  6.9338  -4.340603      8.416311  
1 1 1 -19 28  16 o 48.761  4.3084  1308.48    225.200  1312.22    263.307  1298.30    434.602  48.684  5.0678  47.445  8.7807  1.239174       10.13818  
1 1 1 -19 28  17 o 40.586  4.9834  916.456    214.463  864.797    265.491  1013.47    363.832  39.049  6.5062  41.847  8.3201  -2.798374      10.56197  
1 1 1 -19 28  18 o 157.534 3.5569  13540.70   606.892  13144.15   706.996  14651.20   1183.11  154.978 4.2119  162.313 6.7298  -7.334625      7.939144  
1 1 1 -19 28  19 o 45.475  4.5083  1145.65    219.126  1239.56    267.892  955.776    380.908  47.113  5.3444  40.230  8.9704  6.883389       10.44179  
1 1 1 -19 28  20 o 60.961  3.9422  2044.49    258.896  2185.88    321.724  1784.69    436.103  62.821  4.7638  55.834  7.3932  6.986668       8.795116  
1 1 1 -19 28  21 o 17.984  7.0863  112.942    203.038  218.117    301.367  25.523     274.753  22.666  8.7177  18.434  7.8472  4.231918       11.72928  
1 1 1 -19 28  22 o 24.440  7.7367  341.996    229.541  53.310     389.565  495.527    284.096  21.814  9.3163  28.873  8.5079  -7.058556      12.61660  
1 1 1 -19 28  23 o 13.071  6.1629  -230.6026  226.735  -404.0102  412.850  -155.7122  271.314  17.430  8.2480  15.580  7.1348  1.849855       10.90569  
1 1 1 -19 28  24 o 21.074  1.2500  241.844    28.404   -237.9972  398.817  244.290    28.477   18.408  8.5092  21.181  1.2468  -2.772427      8.600071  
1 1 1 -19 28  25 o 22.626  7.9275  288.180    239.947  247.523    414.288  308.703    294.340  24.395  9.9448  23.770  8.7241  0.6252251      13.22908  
1 1 1 -19 28  26 o 34.671  1.9595  658.661    73.281   1146.31    467.386  646.372    74.198   40.447  10.556  34.336  2.0039  6.111191       10.74497  
1 1 1 -19 28  27 o 34.823  10.815  897.114    450.783  897.114    450.783  0.0000     0.0000   34.823  10.815  ?       ?       0.000000       10.81530  
1 1 1 -19 28  28 o 24.695  10.228  352.368    447.312  352.368    447.312  0.0000     0.0000   24.695  10.228  ?       ?       0.000000       10.22804  
1 1 1 -19 28  29 o 28.248  10.811  625.331    462.049  625.331    462.049  0.0000     0.0000   28.248  10.811  ?       ?       0.000000       10.81091  
1 1 1 -19 28  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 29  1  o 41.624  1.6219  938.606    73.121   751.814    146.199  1000.92    84.442   37.042  3.6932  42.982  1.8139  -5.939220      4.114581  
1 1 1 -19 29  2  o 76.575  2.7029  3178.66    224.173  3224.56    257.447  3034.73    455.896  77.115  3.0823  74.482  5.6944  2.633087       6.475100  
1 1 1 -19 29  3  o 204.191 4.1947  22632.97   927.704  22449.30   1009.82  23626.46   2348.61  203.314 4.5857  207.082 10.506  -3.768158      11.46288  
1 1 1 -19 29  4  o 235.284 4.3547  30057.64   1109.73  29995.76   1280.49  30244.36   2224.30  234.939 5.0321  235.091 8.7355  -0.1519623     10.08120  
1 1 1 -19 29  5  o 152.107 3.2992  12548.95   543.542  12598.44   624.821  12395.00   1102.07  152.369 3.7861  150.801 6.7474  1.568420       7.737047  
1 1 1 -19 29  6  o 218.426 4.1235  25902.78   975.518  25901.85   1124.58  25905.62   1960.76  218.331 4.7556  217.596 8.3196  0.7350769      9.582899  
1 1 1 -19 29  7  o 156.849 3.3609  13346.92   570.955  13336.48   657.949  13378.75   1148.92  156.742 3.8756  156.608 6.7734  0.1332703      7.803763  
1 1 1 -19 29  8  o 112.155 4.1885  6832.53    508.804  6547.26    731.667  7099.66    708.031  109.422 6.1991  114.033 5.7511  -4.611008      8.456027  
1 1 1 -19 29  9  o 130.867 3.6718  9298.31    520.448  9518.61    622.790  8788.29    947.596  132.341 4.3449  126.631 6.9353  5.710190       8.183944  
1 1 1 -19 29  10 o 108.818 2.9429  6424.49    346.849  6167.88    405.971  7118.12    667.448  106.580 3.5168  114.294 5.3917  -7.713737      6.437232  
1 1 1 -19 29  11 o 165.473 3.4722  14871.42   622.300  14486.12   716.215  16058.37   1257.08  163.230 4.0511  171.257 6.7771  -8.026169      7.895617  
1 1 1 -19 29  12 o 84.243  3.0570  3853.20    278.933  3446.72    321.552  5088.96    560.657  79.626  3.7284  96.407  5.3909  -16.78088      6.554625  
1 1 1 -19 29  13 o 85.726  3.0329  3991.50    281.601  4104.67    325.429  3654.18    561.836  86.895  3.4577  81.366  6.4275  5.528320       7.298579  
1 1 1 -19 29  14 o 11.820  5.4097  -106.5519  155.654  215.339    230.536  -376.2341  211.014  21.463  7.7446  11.153  5.4316  10.31009       9.459398  
1 1 1 -19 29  15 o 79.421  3.2285  3430.85    277.718  3215.30    320.935  4073.42    554.122  76.717  3.8749  85.886  5.9944  -9.169029      7.137802  
1 1 1 -19 29  16 o 26.348  7.2152  397.464    211.951  466.739    253.563  236.807    386.142  28.508  7.9254  25.174  9.8157  3.334879       12.61591  
1 1 1 -19 29  17 o 20.792  7.0762  223.742    190.665  290.293    235.872  98.277     323.865  23.417  7.8710  21.282  8.7475  2.134832       11.76740  
1 1 1 -19 29  18 o 77.228  3.4959  3253.88    292.414  3267.78    354.605  3224.33    516.917  77.141  4.2607  75.994  6.3380  1.146721       7.636946  
1 1 1 -19 29  19 o 16.207  6.6751  51.237     189.062  -9.9784    235.748  161.564    316.491  16.673  7.1864  22.087  8.8013  -5.413477      11.36254  
1 1 1 -19 29  20 o 106.750 3.3008  6223.56    381.641  6417.40    455.884  5769.52    697.723  108.223 3.8892  101.441 6.3829  6.782593       7.474501  
1 1 1 -19 29  21 o 65.068  3.6710  2327.81    257.662  2048.26    383.237  2558.42    348.073  60.281  5.9472  67.885  4.7642  -7.603523      7.620117  
1 1 1 -19 29  22 o 31.096  2.1628  528.676    72.390   551.876    424.860  527.982    73.464   30.784  10.562  31.070  2.1972  -0.2861271     10.78825  
1 1 1 -19 29  23 o 19.179  7.5896  134.696    233.835  719.914    421.807  -124.9476  280.959  33.983  10.447  16.282  7.3803  17.70091       12.79071  
1 1 1 -19 29  24 o 29.602  7.4985  529.454    240.689  419.627    409.137  587.578    297.642  27.628  10.259  30.894  8.5860  -3.266188      13.37814  
1 1 1 -19 29  25 o 29.867  7.7467  552.904    252.721  645.965    452.220  510.642    304.751  31.459  10.891  28.502  8.8992  2.957079       14.06448  
1 1 1 -19 29  26 o 56.104  2.4433  1728.37    148.469  1799.67    164.108  1406.84    348.491  57.180  2.6498  48.048  6.8940  9.132008       7.385746  
1 1 1 -19 29  27 o 21.458  9.6380  33.081     466.678  33.081     466.678  0.0000     0.0000   21.458  9.6380  ?       ?       0.000000       9.637972  
1 1 1 -19 29  28 o 20.833  9.3542  51.362     439.197  51.362     439.197  0.0000     0.0000   20.833  9.3542  ?       ?       0.000000       9.354176  
1 1 1 -19 29  29 o 27.832  1.4289  423.548    42.929   423.548    42.929   0.0000     0.0000   27.832  1.4289  ?       ?       0.000000       1.428895  
1 1 1 -19 29  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 30  1  o 110.134 2.8480  6576.21    339.727  6405.39    386.774  7153.02    710.724  108.674 3.2860  114.666 5.7226  -5.991989      6.598948  
1 1 1 -19 30  2  o 153.838 3.3437  12836.38   557.141  12816.76   639.294  12898.34   1136.08  153.682 3.8407  153.833 6.8185  -0.1501923     7.825790  
1 1 1 -19 30  3  o 146.327 3.2829  11612.95   520.303  12042.08   596.911  10255.62   1061.60  148.975 3.6993  136.935 7.1828  12.04027       8.079440  
1 1 1 -19 30  4  o 58.533  2.8897  1857.62    183.201  1870.11    205.195  1808.55    406.728  58.631  3.2439  57.224  6.6884  1.406479       7.433557  
1 1 1 -19 30  5  f 159.006 3.4853  13716.61   600.234  13628.15   664.160  14110.93   1402.21  158.459 3.8698  160.446 8.0950  -1.986313      8.972442  
1 1 1 -19 30  6  o 106.329 2.8635  6130.51    329.773  6065.27    376.940  6343.33    680.843  105.740 3.2913  107.784 5.8540  -2.044220      6.715786  
1 1 1 -19 30  7  o 86.641  2.6307  4069.94    246.872  3984.62    306.661  4227.06    416.147  85.700  3.3038  88.210  4.3557  -2.509819      5.466908  
1 1 1 -19 30  8  o 72.624  3.4076  2862.25    268.041  2805.08    325.955  2981.65    471.060  71.733  4.2138  73.732  5.9493  -1.998665      7.290404  
1 1 1 -19 30  9  o 40.287  3.8852  889.696    167.427  1047.54    191.078  367.867    347.429  43.720  4.0824  27.314  9.5410  16.40599       10.37767  
1 1 1 -19 30  10 o 35.695  4.3200  702.879    163.619  720.251    188.064  648.782    331.870  36.040  4.9485  33.717  8.9416  2.322399       10.21955  
1 1 1 -19 30  11 o 111.694 2.9668  6771.00    358.914  6709.98    418.718  6940.01    696.880  111.144 3.4783  112.600 5.7331  -1.456001      6.705726  
1 1 1 -19 30  12 o 79.273  3.0394  3412.24    260.968  3415.15    299.503  3403.07    531.844  79.273  3.4882  78.579  6.3019  0.6936340      7.202929  
1 1 1 -19 30  13 o 77.564  3.1437  3268.75    264.101  3036.42    306.726  3934.74    519.318  74.604  3.8086  84.600  5.7007  -9.995689      6.855937  
1 1 1 -19 30  14 o 110.659 3.0932  6655.65    370.740  6710.82    445.640  6531.62    668.137  111.028 3.7058  109.012 5.6784  2.016594       6.780643  
1 1 1 -19 30  15 o 122.639 3.2223  8181.51    428.026  8263.09    499.679  7956.67    829.545  123.153 3.7461  119.995 6.4059  3.157578       7.420819  
1 1 1 -19 30  16 f 139.477 3.3736  10592.50   509.639  10340.00   591.672  11318.41   1003.21  137.663 3.9682  143.146 6.4706  -5.483902      7.590455  
1 1 1 -19 30  17 o 118.785 3.2174  7684.04    413.946  7787.95    483.627  7399.38    800.504  119.469 3.7375  115.440 6.4278  4.029533       7.435435  
1 1 1 -19 30  18 o 86.956  2.9014  4116.21    273.260  4327.26    359.374  3826.93    420.737  89.007  3.7278  83.373  4.6781  5.633698       5.981761  
1 1 1 -19 30  19 o 40.061  5.2078  899.345    220.625  1101.57    276.836  547.334    365.248  44.202  5.9322  30.819  9.7596  13.38265       11.42107  
1 1 1 -19 30  20 o 60.153  3.8423  1990.32    249.028  1936.04    303.346  2102.52    436.111  59.074  4.7821  60.894  6.7244  -1.820873      8.251445  
1 1 1 -19 30  21 o 19.613  2.2414  211.972    46.759   728.737    285.783  197.758    47.397   35.113  7.7244  18.916  2.3651  16.19708       8.078342  
1 1 1 -19 30  22 o 69.319  3.8780  2651.27    289.993  2756.53    456.475  2580.05    375.505  69.755  6.1033  67.905  5.1437  1.849640       7.981729  
1 1 1 -19 30  23 o 44.120  5.3748  1104.23    251.536  1343.55    417.230  967.588    315.271  47.309  8.4527  40.429  7.4751  6.880306       11.28384  
1 1 1 -19 30  24 o 32.008  7.2139  615.696    244.108  1377.46    414.521  211.266    302.035  47.655  8.3345  22.107  8.6642  25.54755       12.02216  
1 1 1 -19 30  25 o 53.789  2.3393  1582.52    136.282  1637.10    149.006  1303.26    337.053  54.666  2.5166  46.718  6.8658  7.947544       7.312502  
1 1 1 -19 30  26 o 64.674  5.2390  2425.86    363.829  2494.98    488.125  2339.46    545.749  63.803  7.1888  60.338  8.5937  3.464336       11.20403  
1 1 1 -19 30  27 o 18.260  8.5562  -218.8294  425.395  -218.8294  425.395  0.0000     0.0000   18.260  8.5562  ?       ?       0.000000       8.556248  
1 1 1 -19 30  28 o 17.231  1.7298  163.844    31.848   163.844    31.848   0.0000     0.0000   17.231  1.7298  ?       ?       0.000000       1.729798  
1 1 1 -19 30  29 o 21.467  9.3871  177.349    414.459  177.349    414.459  0.0000     0.0000   21.467  9.3871  ?       ?       0.000000       9.387098  
1 1 1 -19 30  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 31  1  o 163.703 3.5532  14539.60   630.010  14452.29   733.797  14784.41   1228.79  163.156 4.1524  164.660 6.8900  -1.503174      8.044547  
1 1 1 -19 31  2  f 162.371 3.4526  14302.25   607.194  14353.39   697.282  14141.79   1235.05  162.617 3.9589  161.013 7.0820  1.603775       8.113383  
1 1 1 -19 31  3  o 184.910 3.8505  18556.69   771.159  18273.01   844.099  19988.61   1896.42  183.448 4.2482  190.951 9.1694  -7.502502      10.10575  
1 1 1 -19 31  4  o 53.849  2.9200  1576.98    169.672  1757.81    189.060  828.492    384.641  56.849  3.0820  38.118  9.3803  18.73114       9.873638  
1 1 1 -19 31  5  o 163.828 3.4544  14561.85   612.959  14715.12   705.023  14087.26   1240.61  164.641 3.9536  160.654 7.1297  3.986465       8.152560  
1 1 1 -19 31  6  o 95.649  2.8209  4960.97    292.236  4985.44    333.679  4880.40    605.452  95.867  3.2136  94.475  5.9472  1.391037       6.759908  
1 1 1 -19 31  7  o 141.278 3.1835  10828.14   487.134  10621.96   560.697  11462.89   983.794  139.884 3.7008  144.996 6.2644  -5.111816      7.275866  
1 1 1 -19 31  8  o 21.620  6.5304  256.904    165.807  253.200    201.399  264.694    292.099  22.030  7.2696  24.068  8.7124  -2.038296      11.34697  
1 1 1 -19 31  9  o 190.318 3.7688  19673.85   776.879  19532.57   895.543  20103.53   1561.74  189.538 4.3623  191.538 7.5280  -2.000198      8.700664  
1 1 1 -19 31  10 o 183.743 3.7048  18342.14   737.303  18486.16   850.856  17908.03   1477.25  184.368 4.2609  180.649 7.5500  3.719040       8.669388  
1 1 1 -19 31  11 o 23.875  1.6571  310.398    42.585   396.088    180.387  305.340    43.824   26.383  6.3821  23.673  1.7209  2.709656       6.610082  
1 1 1 -19 31  12 o 137.081 3.2010  10207.95   475.262  9927.43    547.097  11070.70   959.463  135.109 3.7386  142.147 6.2319  -7.038025      7.267300  
1 1 1 -19 31  13 o 33.931  1.4798  623.977    54.384   407.549    209.757  639.575    56.310   26.732  7.1180  34.352  1.5134  -7.620415      7.277104  
1 1 1 -19 31  14 o 75.098  3.2914  3067.21    267.721  2883.25    316.344  3531.50    502.562  72.624  4.0377  80.015  5.8393  -7.390984      7.099287  
1 1 1 -19 31  15 o 67.536  3.5846  2490.97    261.268  2313.68    304.375  2987.27    509.272  64.949  4.3520  73.323  6.4793  -8.373955      7.805218  
1 1 1 -19 31  16 f 55.849  4.1059  1712.01    246.626  1497.91    292.018  2244.64    460.587  51.988  5.2583  63.324  6.8232  -11.33576      8.614262  
1 1 1 -19 31  17 o 69.819  3.6385  2666.42    274.194  2429.98    323.758  3266.23    515.658  66.459  4.5247  76.589  6.2712  -10.12933      7.733084  
1 1 1 -19 31  18 o 53.514  2.1672  1555.48    125.616  1045.28    266.619  1701.04    142.412  43.101  5.8635  55.948  2.3501  -12.84707      6.316929  
1 1 1 -19 31  19 o 54.918  4.2018  1662.94    248.037  1755.16    309.673  1497.91    414.284  56.185  5.1459  51.025  7.7392  5.160717       9.293806  
1 1 1 -19 31  20 o 21.585  7.2087  251.560    197.834  335.433    246.194  98.690     332.376  24.557  8.0343  21.272  8.8141  3.284079       11.92638  
1 1 1 -19 31  21 o 87.271  3.3266  4167.25    314.443  4485.46    378.219  3455.02    565.842  90.380  3.8637  77.965  6.7679  12.41463       7.793122  
1 1 1 -19 31  22 o 24.550  7.6346  348.693    224.543  420.174    387.270  312.492    275.597  27.803  10.037  24.129  8.4934  3.674273       13.14826  
1 1 1 -19 31  23 o 51.221  4.7873  1471.13    262.509  1415.52    428.857  1504.45    331.965  48.563  8.4609  51.273  6.0972  -2.710461      10.42892  
1 1 1 -19 31  24 o 18.060  7.4861  78.962     239.895  13.869     434.476  107.510    287.731  21.882  9.5889  19.843  8.2095  2.039688       12.62311  
1 1 1 -19 31  25 o 42.453  5.8448  1054.54    261.625  952.399    440.116  1110.36    325.350  37.481  10.449  42.747  7.2885  -5.265862      12.74002  
1 1 1 -19 31  26 o 42.827  7.6157  1152.99    340.316  1451.54    481.686  855.434    480.875  46.021  9.9532  34.045  11.233  11.97549       15.00819  
1 1 1 -19 31  27 o 5.5699  2.4667  -9.3793    29.470   -9.3793    29.470   0.0000     0.0000   5.5699  2.4667  ?       ?       0.000000       2.466675  
1 1 1 -19 31  28 o 35.382  10.184  935.633    411.369  935.633    411.369  0.0000     0.0000   35.382  10.184  ?       ?       0.000000       10.18437  
1 1 1 -19 31  29 o 18.915  8.6242  -12.4955   390.806  -12.4955   390.806  0.0000     0.0000   18.915  8.6242  ?       ?       0.000000       8.624191  
1 1 1 -19 31  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 32  1  o 58.599  2.8002  1861.81    177.723  1875.89    196.857  1799.77    413.251  58.730  3.1057  57.049  6.8234  1.681240       7.496966  
1 1 1 -19 32  2  o 47.013  3.0492  1203.67    154.427  1300.29    169.944  745.914    369.914  48.855  3.2298  36.200  9.3639  12.65500       9.905279  
1 1 1 -19 32  3  o 156.916 3.3584  13357.50   570.791  13236.35   654.988  13739.95   1163.74  156.159 3.8725  158.729 6.7691  -2.570297      7.798516  
1 1 1 -19 32  4  o 131.293 3.0638  9348.94    435.693  9243.33    499.003  9687.70    893.738  130.518 3.5299  133.351 6.1879  -2.832245      7.123935  
1 1 1 -19 32  5  o 105.359 2.8580  6019.46    326.135  6105.43    372.599  5737.83    674.411  106.088 3.2427  102.445 6.1058  3.643852       6.913440  
1 1 1 -19 32  6  o 56.091  3.0140  1711.36    182.434  1610.33    206.199  2075.45    391.434  54.360  3.5211  61.438  5.9572  -7.078022      6.920046  
1 1 1 -19 32  7  o 78.894  2.8487  3375.77    243.424  3455.46    278.126  3114.90    503.243  79.804  3.2177  75.323  6.2242  4.480339       7.006776  
1 1 1 -19 32  8  o 44.895  4.1072  1104.28    197.505  1127.57    239.815  1055.18    348.207  45.250  4.9753  43.257  7.7150  1.992573       9.180137  
1 1 1 -19 32  9  o 36.549  4.8200  739.544    186.154  742.292    222.698  733.169    339.158  36.441  5.8395  35.792  8.8084  0.6487312      10.56829  
1 1 1 -19 32  10 o 90.853  3.0001  4479.95    295.219  4156.98    342.562  5412.19    581.993  87.474  3.6157  99.469  5.4225  -11.99487      6.517449  
1 1 1 -19 32  11 o 46.581  3.8018  1187.52    190.138  1190.53    219.954  1178.62    378.211  46.556  4.4148  45.630  7.9412  0.9262695      9.085872  
1 1 1 -19 32  12 o 101.263 2.9931  5568.86    328.277  5511.24    377.079  5749.25    667.188  100.690 3.4576  102.274 6.0499  -1.583923      6.968217  
1 1 1 -19 32  13 f 84.261  2.7837  3855.67    254.046  3826.00    332.207  3897.45    394.258  83.851  3.6579  84.441  4.3253  -0.5902557     5.664661  
1 1 1 -19 32  14 o 82.015  3.2189  3658.00    285.933  3778.75    333.841  3325.51    553.968  83.302  3.7001  77.397  6.6736  5.904953       7.630679  
1 1 1 -19 32  15 o 59.800  3.7834  1956.80    243.785  1900.95    283.723  2114.37    476.535  58.813  4.4879  61.344  7.3166  -2.531174      8.583315  
1 1 1 -19 32  16 o 31.124  1.0120  524.883    34.115   11.912     231.788  536.241    34.491   17.000  7.2213  31.459  1.0122  -14.45950      7.291942  
1 1 1 -19 32  17 o 24.994  6.9143  358.281    193.490  273.319    223.337  613.956    387.430  22.733  7.6589  32.593  10.011  -9.859726      12.60449  
1 1 1 -19 32  18 f 86.991  3.2365  4125.63    304.942  4207.13    363.734  3932.83    559.415  87.730  3.8280  83.983  6.1937  3.747368       7.281159  
1 1 1 -19 32  19 o 80.518  3.4193  3540.55    298.198  3139.49    358.604  4439.42    536.860  75.489  4.4050  89.382  5.5732  -13.89301      7.103895  
1 1 1 -19 32  20 o 51.834  4.4256  1488.85    246.082  1386.20    308.044  1669.90    409.097  49.582  5.8487  53.979  7.1750  -4.397583      9.256803  
1 1 1 -19 32  21 o 25.758  7.3075  388.209    213.298  296.632    270.454  538.896    346.928  23.779  8.4091  30.186  9.5065  -6.406900      12.69199  
1 1 1 -19 32  22 o 49.307  4.6858  1359.49    247.238  1617.67    444.446  1243.79    297.521  52.323  8.1046  46.665  6.0273  5.657715       10.10017  
1 1 1 -19 32  23 o 33.419  7.1255  663.103    250.042  1246.33    440.311  385.499    303.776  45.001  9.3396  26.042  8.9313  18.95882       12.92270  
1 1 1 -19 32  24 o 63.997  4.1947  2285.08    289.150  2495.56    466.072  2153.37    368.679  65.480  6.6646  61.418  5.6040  4.062145       8.707517  
1 1 1 -19 32  25 o 40.210  6.3015  961.202    265.426  1013.17    467.490  936.478    322.437  38.266  10.805  38.708  7.9567  -0.4427490     13.41873  
1 1 1 -19 32  26 o 29.809  1.2210  482.966    39.420   531.445    55.645   434.129    55.851   31.179  1.6537  28.137  1.8428  3.041443       2.476026  
1 1 1 -19 32  27 o 49.396  8.6544  1612.50    446.149  1612.50    446.149  0.0000     0.0000   49.396  8.6544  ?       ?       0.000000       8.654440  
1 1 1 -19 32  28 o 36.472  10.140  991.740    415.024  991.740    415.024  0.0000     0.0000   36.472  10.140  ?       ?       0.000000       10.13955  
1 1 1 -19 32  29 o 22.551  9.5290  276.872    400.168  276.872    400.168  0.0000     0.0000   22.551  9.5290  ?       ?       0.000000       9.528963  
1 1 1 -19 32  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 33  1  o 110.668 2.8156  6641.05    337.489  6748.69    383.912  6274.95    708.005  111.542 3.1778  107.150 6.1260  4.392097       6.901192  
1 1 1 -19 33  2  o 71.417  2.7134  2765.35    209.886  2692.71    234.600  3056.65    469.801  70.461  3.0740  74.699  5.8535  -4.238419      6.611585  
1 1 1 -19 33  3  o 203.490 4.0461  22483.67   891.772  22983.99   1026.61  20945.58   1800.02  205.662 4.6088  195.535 8.4993  10.12709       9.668446  
1 1 1 -19 33  4  o 193.992 3.7548  20427.29   788.929  19721.17   907.678  22608.71   1595.38  190.527 4.3985  203.450 7.2400  -12.92229      8.471370  
1 1 1 -19 33  5  o 64.599  2.8157  2262.94    197.003  2304.13    221.732  2108.55    429.263  65.173  3.1412  61.842  6.5063  3.331455       7.224892  
1 1 1 -19 33  6  o 108.458 2.9203  6380.07    343.055  6560.02    392.725  5800.62    704.743  109.954 3.2977  102.931 6.3525  7.022713       7.157410  
1 1 1 -19 33  7  o 160.044 3.4084  13902.45   590.826  14374.95   680.473  12455.24   1190.91  162.689 3.8617  150.884 7.2873  11.80530       8.247270  
1 1 1 -19 33  8  o 90.623  3.0555  4456.24    299.908  4203.46    396.368  4794.78    458.695  87.941  4.1613  93.894  4.5104  -5.952255      6.136837  
1 1 1 -19 33  9  o 164.181 4.2673  14659.21   758.842  14279.70   876.861  15791.26   1514.44  161.916 5.0000  169.433 8.2525  -7.517639      9.649016  
1 1 1 -19 33  10 o 180.859 3.6893  17775.92   722.693  18200.37   833.532  16490.74   1450.42  182.911 4.2074  173.182 7.7325  9.728165       8.803040  
1 1 1 -19 33  11 o 57.451  3.2332  1798.55    200.371  1671.76    232.159  2168.77    396.718  55.303  3.9009  62.696  5.9120  -7.393093      7.082940  
1 1 1 -19 33  12 o 108.386 3.0176  6380.98    354.243  6436.22    407.113  6208.75    718.813  108.804 3.4546  106.209 6.2765  2.594681       7.164392  
1 1 1 -19 33  13 o 139.673 3.2695  10607.15   494.613  10033.28   574.526  12250.33   972.185  135.727 3.9082  149.398 6.0081  -13.67091      7.167343  
1 1 1 -19 33  14 o 83.768  3.2554  3817.00    295.367  3411.54    349.635  4827.58    551.980  78.988  4.1009  93.679  5.4639  -14.69094      6.831628  
1 1 1 -19 33  15 o 73.862  3.4886  2971.08    279.092  2513.76    326.730  4205.39    536.769  67.673  4.4830  87.289  5.7089  -19.61648      7.258738  
1 1 1 -19 33  16 o 66.197  3.5986  2395.90    257.044  2765.52    300.329  1383.62    497.011  71.074  3.9165  48.587  9.7828  22.48662       10.53766  
1 1 1 -19 33  17 o 68.836  3.4944  2591.08    259.674  2828.44    301.254  1904.84    512.230  71.847  3.8857  57.567  8.4683  14.27989       9.317220  
1 1 1 -19 33  18 o 84.797  3.3223  3922.16    305.138  3995.95    360.996  3737.49    571.046  85.476  3.8993  81.715  6.5060  3.760750       7.585012  
1 1 1 -19 33  19 o 19.729  7.1689  184.626    198.037  299.592    248.023  -17.5915   328.940  23.685  8.0706  19.457  8.4371  4.228922       11.67560  
1 1 1 -19 33  20 o 81.385  3.4773  3624.01    306.513  3572.28    370.950  3735.36    544.196  80.485  4.2706  81.505  6.2113  -1.020172      7.537746  
1 1 1 -19 33  21 o 94.351  3.3574  4873.68    343.097  4654.47    412.875  5362.89    616.772  91.944  4.1459  97.744  5.8528  -5.800156      7.172482  
1 1 1 -19 33  22 o 20.847  7.5030  219.781    216.216  564.635    414.229  90.638     253.488  30.845  10.430  18.844  7.7414  12.00144       12.98923  
1 1 1 -19 33  23 o 73.442  3.8741  2983.59    307.079  2538.39    510.927  3235.35    384.219  66.001  7.2677  76.124  4.6827  -10.12388      8.645663  
1 1 1 -19 33  24 o 54.678  2.3019  1632.36    136.321  1684.46    149.195  1368.99    335.463  55.507  2.4816  48.332  6.5793  7.175301       7.031747  
1 1 1 -19 33  25 o 42.190  5.7113  1043.45    254.277  1026.80    409.275  1053.92    324.506  39.228  9.6896  41.310  7.5301  -2.081638      12.27154  
1 1 1 -19 33  26 o 28.725  9.9949  561.863    381.101  561.863    381.101  0.0000     0.0000   28.725  9.9949  ?       ?       0.000000       9.994942  
1 1 1 -19 33  27 o 22.074  9.3070  206.611    380.397  206.611    380.397  0.0000     0.0000   22.074  9.3070  ?       ?       0.000000       9.306996  
1 1 1 -19 33  28 o 27.153  10.360  534.619    423.547  534.619    423.547  0.0000     0.0000   27.153  10.360  ?       ?       0.000000       10.36047  
1 1 1 -19 33  29 o 19.126  8.7715  -21.6623   412.180  -21.6623   412.180  0.0000     0.0000   19.126  8.7715  ?       ?       0.000000       8.771545  
1 1 1 -19 34  1  o 48.120  2.9877  1260.67    154.944  1370.89    169.754  710.438    379.292  50.174  3.1395  35.372  9.6378  14.80206       10.13629  
1 1 1 -19 34  2  o 108.026 2.8389  6328.23    332.163  6326.69    377.713  6333.52    697.713  107.992 3.2293  107.655 6.0077  0.3366013      6.820589  
1 1 1 -19 34  3  o 161.849 3.4119  14213.78   598.109  14337.20   686.621  13825.52   1217.84  162.501 3.9011  159.111 7.0668  3.389999       8.072063  
1 1 1 -19 34  4  o 104.276 2.7840  5896.45    314.436  5959.49    365.515  5716.98    616.703  104.809 3.2199  102.321 5.5858  2.487923       6.447411  
1 1 1 -19 34  5  o 110.485 2.8580  6620.44    342.005  6491.37    390.951  7041.23    705.923  109.377 3.3001  113.546 5.7589  -4.168823      6.637461  
1 1 1 -19 34  6  o 101.458 2.8744  5583.30    315.868  5758.51    361.081  5012.14    651.932  103.016 3.2362  95.636  6.3296  7.380112       7.108894  
1 1 1 -19 34  7  o 204.072 4.1500  22632.38   917.286  22649.18   999.334  22542.55   2311.61  204.080 4.5210  201.450 10.632  2.630768       11.55342  
1 1 1 -19 34  8  o 67.855  3.4644  2506.59    253.764  2626.55    312.714  2275.25    434.257  69.383  4.1807  64.232  6.3240  5.151550       7.581040  
1 1 1 -19 34  9  o 115.946 3.5010  7301.90    439.657  7750.77    535.517  6373.75    770.067  119.386 4.1414  107.718 6.6326  11.66811       7.819416  
1 1 1 -19 34  10 o 56.577  2.1233  1735.62    130.112  1355.30    216.933  1949.30    162.606  49.752  4.0612  59.945  2.5045  -10.19285      4.771310  
1 1 1 -19 34  11 o 46.638  3.6991  1190.19    185.321  1095.45    216.457  1450.30    358.650  44.609  4.5435  50.994  6.6520  -6.385395      8.055573  
1 1 1 -19 34  12 o 86.728  2.8045  4084.46    263.441  4062.09    336.831  4119.69    422.770  86.414  3.5988  86.799  4.5125  -0.3852463     5.771828  
1 1 1 -19 34  13 f 78.552  3.2381  3355.12    275.496  3349.87    323.428  3369.02    525.886  78.430  3.8074  78.042  6.2745  0.3878098      7.339314  
1 1 1 -19 34  14 o 181.741 3.7236  17994.19   732.972  18416.87   849.367  16761.20   1450.66  183.691 4.2691  173.716 7.7100  9.975479       8.813057  
1 1 1 -19 34  15 o 81.473  3.3542  3613.80    295.989  3094.88    345.040  5059.66    575.946  75.159  4.2561  95.803  5.5746  -20.64458      7.013573  
1 1 1 -19 34  16 o 135.049 3.3025  9934.32    483.070  9729.77    559.315  10534.89   958.397  133.509 3.8679  137.973 6.4133  -4.464203      7.489403  
1 1 1 -19 34  17 o 150.387 3.5146  12339.31   572.476  12450.35   667.353  12029.95   1113.91  150.867 4.0841  146.883 7.0018  3.983154       8.105823  
1 1 1 -19 34  18 o 110.588 3.2458  6669.69    388.773  6564.60    453.682  6960.19    754.262  109.565 3.8231  111.753 6.2567  -2.187904      7.332225  
1 1 1 -19 34  19 o 104.139 3.2694  5920.97    368.765  5898.40    438.207  5975.75    682.635  103.763 3.8991  103.412 6.1219  0.3513336      7.258137  
1 1 1 -19 34  20 o 64.601  3.8472  2297.20    267.968  2123.28    327.234  2651.21    466.880  61.776  4.9318  68.498  6.3659  -6.722023      8.052760  
1 1 1 -19 34  21 o 24.788  7.4740  356.439    217.325  276.582    278.583  480.597    347.364  23.405  8.5030  28.811  9.5491  -5.405872      12.78613  
1 1 1 -19 34  22 o 47.210  4.8664  1251.06    245.267  1408.76    443.105  1181.39    294.496  48.376  8.7801  45.395  6.1479  2.981758       10.71854  
1 1 1 -19 34  23 o 56.110  4.2201  1753.28    254.590  2004.37    423.513  1611.20    318.579  58.803  6.7734  53.215  5.6119  5.587677       8.796179  
1 1 1 -19 34  24 o 39.093  6.0610  893.427    248.324  839.318    396.979  928.209    318.284  35.948  9.8871  38.978  7.8113  -3.030251      12.60038  
1 1 1 -19 34  25 o 63.453  2.8324  2218.09    194.657  2757.88    433.341  2081.64    217.875  68.651  5.8848  61.203  3.2989  7.448795       6.746362  
1 1 1 -19 34  26 o 24.445  9.7960  328.511    394.342  328.511    394.342  0.0000     0.0000   24.445  9.7960  ?       ?       0.000000       9.795966  
1 1 1 -19 34  27 o 17.014  7.9866  -217.2200  373.489  -217.2200  373.489  0.0000     0.0000   17.014  7.9866  ?       ?       0.000000       7.986576  
1 1 1 -19 34  28 o 24.451  1.5084  327.348    39.752   327.348    39.752   0.0000     0.0000   24.451  1.5084  ?       ?       0.000000       1.508420  
1 1 1 -19 34  29 o 17.440  8.1780  -156.1351  389.818  -156.1351  389.818  0.0000     0.0000   17.440  8.1780  ?       ?       0.000000       8.177976  
1 1 1 -19 35  1  o 233.063 4.3775  29515.88   1105.01  28997.71   1272.59  31103.85   2227.78  230.871 5.0892  238.089 8.6390  -7.218063      10.02656  
1 1 1 -19 35  2  o 54.621  2.8983  1622.62    170.850  1675.16    189.093  1389.03    398.679  55.479  3.1599  49.835  7.6290  5.644131       8.257562  
1 1 1 -19 35  3  o 30.954  2.0943  521.676    69.803   526.365    71.310   414.207    341.361  31.091  2.1305  28.263  9.4690  2.828028       9.705708  
1 1 1 -19 35  4  o 129.106 2.9623  9041.19    414.234  8673.20    472.576  10261.64   860.625  126.415 3.4515  137.235 5.7900  -10.81991      6.740687  
1 1 1 -19 35  5  o 48.949  3.0787  1305.04    162.391  1355.68    181.549  1102.38    363.193  49.865  3.3815  44.217  7.8722  5.647850       8.567691  
1 1 1 -19 35  6  f 36.544  3.5692  731.942    139.469  707.423    154.607  839.077    323.180  35.857  4.0520  38.417  8.0258  -2.559605      8.990680  
1 1 1 -19 35  7  o 57.276  2.9738  1784.76    183.846  1681.47    207.654  2159.29    395.425  55.542  3.4692  62.639  5.8979  -7.096539      6.842524  
1 1 1 -19 35  8  o 76.448  3.3711  3173.39    279.134  2930.20    341.029  3667.01    485.875  73.273  4.3162  81.817  5.5151  -8.543556      7.003258  
1 1 1 -19 35  9  o 157.553 3.9254  13495.82   669.855  13701.19   819.322  13081.81   1163.29  158.600 4.7696  154.473 6.9529  4.127060       8.431623  
1 1 1 -19 35  10 o 62.464  3.0491  2118.64    206.286  2120.33    236.393  2113.22    422.408  62.364  3.5140  61.787  6.4050  0.5772629      7.305628  
1 1 1 -19 35  11 o 40.144  4.0602  886.132    174.109  1132.12    203.524  214.812    336.217  45.406  4.1855  23.867  9.2000  21.53957       10.10736  
1 1 1 -19 35  12 o 201.631 3.9026  22137.61   852.278  22155.47   983.919  22083.93   1705.64  201.529 4.5077  199.714 7.8851  1.814468       9.082616  
1 1 1 -19 35  13 o 168.557 3.5239  15462.65   643.334  15051.05   743.432  16689.85   1283.70  166.145 4.1313  173.947 6.8136  -7.801682      7.968211  
1 1 1 -19 35  14 o 70.504  3.3189  2705.06    253.444  2751.92    297.709  2581.69    483.066  70.944  3.8893  68.081  6.6353  2.862038       7.691168  
1 1 1 -19 35  15 o 115.223 3.1630  7224.73    394.731  6949.29    458.935  8007.76    773.798  112.893 3.7533  120.576 5.9251  -7.682617      7.013858  
1 1 1 -19 35  16 o 64.450  3.7965  2275.02    263.847  2060.49    311.332  2821.81    497.045  61.130  4.7392  71.078  6.5294  -9.948277      8.068046  
1 1 1 -19 35  17 o 112.094 3.2140  6847.80    390.213  6577.36    461.953  7521.38    729.052  109.698 3.8880  116.663 5.7697  -6.964836      6.957491  
1 1 1 -19 35  18 o 38.598  5.5803  839.818    226.519  871.246    269.601  764.368    417.721  39.038  6.6122  35.788  10.251  3.250134       12.19894  
1 1 1 -19 35  19 f 75.971  3.4135  3154.11    280.876  2937.98    331.701  3701.75    528.010  73.033  4.2111  81.319  6.0380  -8.285713      7.361444  
1 1 1 -19 35  20 o 24.086  7.2544  333.603    204.823  481.665    256.461  72.835     340.351  28.571  7.9805  20.993  8.8247  7.578169       11.89807  
1 1 1 -19 35  21 o 5.6697  2.4865  -7.3330    29.266   424.465    252.369  -13.2191   29.465   26.869  8.0434  5.4336  2.4325  21.43565       8.403177  
1 1 1 -19 35  22 o 29.329  6.3462  504.049    195.743  658.377    373.806  445.743    229.763  32.722  9.7878  27.367  7.5197  5.354733       12.34287  
1 1 1 -19 35  23 o 71.232  3.7098  2805.49    285.226  3138.26    459.928  2597.53    363.586  74.301  5.7601  67.979  4.9727  6.322906       7.609602  
1 1 1 -19 35  24 o 30.033  7.2707  551.422    233.978  548.974    389.236  552.808    292.780  29.511  10.110  29.649  8.6086  -0.1386623     13.27867  
1 1 1 -19 35  25 o 40.849  1.9058  911.009    84.321   930.549    85.710   322.807    470.259  41.282  1.9169  25.475  10.514  15.80781       10.68714  
1 1 1 -19 35  26 o 28.757  1.4281  450.152    44.482   450.152    44.482   0.0000     0.0000   28.757  1.4281  ?       ?       0.000000       1.428139  
1 1 1 -19 35  27 o 40.859  9.9654  1192.14    437.074  1192.14    437.074  0.0000     0.0000   40.859  9.9654  ?       ?       0.000000       9.965446  
1 1 1 -19 35  28 o 36.968  10.492  1049.57    439.635  1049.57    439.635  0.0000     0.0000   36.968  10.492  ?       ?       0.000000       10.49225  
1 1 1 -19 35  29 f 33.048  10.604  881.567    430.071  881.567    430.071  0.0000     0.0000   33.048  10.604  ?       ?       0.000000       10.60359  
1 1 1 -19 36  1  o 62.938  2.3399  2147.41    159.506  2344.73    210.497  1881.31    244.441  65.746  2.9560  58.732  3.8642  7.014572       4.865219  
1 1 1 -19 36  2  o 128.974 3.1224  9024.79    436.177  9412.18    498.728  7764.50    899.557  131.683 3.4967  118.992 7.0107  12.69041       7.834370  
1 1 1 -19 36  3  o 84.859  2.7466  3905.29    252.442  3837.08    283.945  4162.51    551.424  84.097  3.1173  87.194  5.8731  -3.096626      6.649118  
1 1 1 -19 36  4  o 132.764 3.1446  9563.93    452.191  9756.49    517.440  8941.59    930.236  134.058 3.5637  127.759 6.7464  6.299171       7.629828  
1 1 1 -19 36  5  o 103.904 2.8655  5856.33    322.482  6021.57    368.712  5318.57    665.171  105.336 3.2318  98.516  6.2664  6.820229       7.050718  
1 1 1 -19 36  6  o 132.585 3.0755  9539.06    441.657  9622.73    506.936  9275.49    899.726  133.124 3.5158  130.309 6.3748  2.815506       7.280047  
1 1 1 -19 36  7  o 74.787  2.7666  3034.26    224.097  3093.37    254.724  2831.81    471.379  75.495  3.1152  71.752  6.1241  3.742844       6.870909  
1 1 1 -19 36  8  o 24.313  5.3680  334.899    137.576  367.311    155.644  219.105    294.186  25.440  5.7800  23.071  8.6733  2.369753       10.42281  
1 1 1 -19 36  9  o 77.551  3.3477  3266.85    281.197  3425.97    344.037  2946.61    488.065  79.264  4.0205  73.126  6.2213  6.137817       7.407393  
1 1 1 -19 36  10 o 17.322  6.0007  148.038    137.294  120.338    155.891  243.805    289.860  16.972  6.3268  23.460  8.6503  -6.487759      10.71713  
1 1 1 -19 36  11 o 55.152  3.4670  1660.36    206.045  1642.64    242.597  1706.23    390.337  54.766  4.1200  55.342  6.6448  -0.5763893     7.818418  
1 1 1 -19 36  12 o 112.984 3.0465  6937.06    372.809  6907.49    432.056  7023.23    737.616  112.674 3.5403  112.955 6.0511  -0.2804489     7.010716  
1 1 1 -19 36  13 o 63.236  3.4162  2182.24    233.111  2110.16    270.972  2387.47    457.235  62.082  4.0521  65.514  6.5307  -3.432610      7.685652  
1 1 1 -19 36  14 o 93.831  3.1049  4788.77    315.548  4482.21    368.341  5634.20    611.693  90.688  3.7500  101.134 5.6062  -10.44618      6.744766  
1 1 1 -19 36  15 o 17.724  6.7712  122.319    181.061  165.706    218.531  27.323     323.361  19.863  7.4738  20.139  8.5408  -0.2764053     11.34913  
1 1 1 -19 36  16 o 62.441  3.9625  2138.67    266.593  2119.36    318.033  2184.30    488.911  61.980  4.7743  62.146  7.4096  -0.1667175     8.814514  
1 1 1 -19 36  17 o 111.392 3.1696  6761.88    382.413  6885.69    457.911  6476.48    695.222  112.262 3.7660  108.007 5.9661  4.255272       7.055238  
1 1 1 -19 36  18 o 39.936  5.2303  894.337    220.798  957.639    259.795  729.677    419.004  41.135  6.0083  35.005  10.337  6.130363       11.95660  
1 1 1 -19 36  19 o 27.071  7.1430  427.805    212.476  456.932    250.512  353.135    401.103  27.951  7.9157  27.090  10.139  0.8613110      12.86275  
1 1 1 -19 36  20 o 48.995  2.3739  1306.69    125.976  1424.33    286.237  1278.43    140.294  50.376  5.3268  48.354  2.6894  2.022778       5.967237  
1 1 1 -19 36  21 o 65.008  3.8117  2330.95    267.210  2139.38    324.927  2731.18    469.651  61.907  4.8856  69.331  6.3239  -7.423717      7.991249  
1 1 1 -19 36  22 o 14.268  1.7098  112.187    25.897   161.796    304.841  111.827    25.991   21.437  8.6050  14.243  1.7196  7.193897       8.775162  
1 1 1 -19 36  23 o 40.392  5.4411  933.832    231.986  715.401    392.709  1050.91    287.514  33.592  10.029  42.451  6.4566  -8.858723      11.92729  
1 1 1 -19 36  24 o 82.565  3.4949  3772.65    312.539  4066.49    488.918  3569.61    406.421  84.348  5.3797  79.476  4.7430  4.872307       7.172032  
1 1 1 -19 36  25 o 34.757  10.221  842.779    410.418  842.779    410.418  0.0000     0.0000   34.757  10.221  ?       ?       0.000000       10.22141  
1 1 1 -19 36  26 o 16.096  7.6590  -317.5777  365.782  -317.5777  365.782  0.0000     0.0000   16.096  7.6590  ?       ?       0.000000       7.659034  
1 1 1 -19 36  27 o 13.524  6.7050  -704.2313  371.244  -704.2313  371.244  0.0000     0.0000   13.524  6.7050  ?       ?       0.000000       6.704955  
1 1 1 -19 36  28 o 30.675  10.447  731.255    415.609  731.255    415.609  0.0000     0.0000   30.675  10.447  ?       ?       0.000000       10.44731  
1 1 1 -19 36  29 o 21.347  9.4045  166.369    422.913  166.369    422.913  0.0000     0.0000   21.347  9.4045  ?       ?       0.000000       9.404494  
1 1 1 -19 37  1  f 205.583 3.7520  22952.84   835.451  22863.38   960.824  23230.12   1691.52  205.087 4.3255  205.930 7.5838  -0.8426819     8.730643  
1 1 1 -19 37  2  o 67.427  2.6930  2465.70    196.669  2547.58    218.596  2117.88    450.537  68.528  2.9451  61.882  6.8360  6.645760       7.443468  
1 1 1 -19 37  3  o 43.385  3.0291  1026.18    141.445  1050.26    153.731  893.371    361.086  43.871  3.2586  39.569  8.6652  4.301476       9.257663  
1 1 1 -19 37  4  o 61.037  2.7583  2020.70    182.352  2037.63    202.023  1946.25    423.659  61.281  3.0437  59.305  6.7139  1.976204       7.371584  
1 1 1 -19 37  5  o 43.695  3.1486  1041.48    148.011  1043.57    164.164  1032.39    342.176  43.701  3.4976  42.767  7.6687  0.9342308      8.428679  
1 1 1 -19 37  6  o 134.495 3.1019  9817.38    451.855  9910.51    518.489  9523.29    921.356  135.087 3.5437  131.993 6.4448  3.094498       7.354775  
1 1 1 -19 37  7  o 190.064 3.9091  19634.61   804.720  19637.91   879.871  19617.74   1989.98  190.012 4.2753  187.941 9.8099  2.070633       10.70105  
1 1 1 -19 37  8  o 94.292  2.7028  4824.11    276.038  5093.02    332.974  4233.20    493.595  96.850  3.1742  87.953  5.2046  8.897278       6.096214  
1 1 1 -19 37  9  o 63.529  3.4868  2199.79    239.003  2218.68    291.830  2161.33    416.511  63.702  4.2541  62.528  6.2331  1.174194       7.546501  
1 1 1 -19 37  10 o 104.673 2.9506  5949.73    334.511  6177.26    385.618  5257.92    672.396  106.615 3.3394  97.708  6.3889  8.907021       7.208978  
1 1 1 -19 37  11 o 51.878  2.2990  1460.22    129.178  1622.90    233.624  1388.58    155.034  54.447  3.9894  50.485  2.8469  3.961624       4.901038  
1 1 1 -19 37  12 o 55.693  3.5058  1694.29    210.392  1496.06    242.191  2303.97    424.748  52.196  4.3229  64.474  6.1573  -12.27750      7.523260  
1 1 1 -19 37  13 o 15.147  6.2108  44.224     162.775  127.149    187.726  -207.0096  326.755  18.080  6.8977  17.174  7.8517  0.9062042      10.45120  
1 1 1 -19 37  14 o 52.491  3.8410  1510.23    216.856  1486.91    254.264  1572.47    415.348  51.954  4.5648  52.724  7.4834  -0.7693863     8.765756  
1 1 1 -19 37  15 o 48.862  4.1145  1313.28    215.725  1332.95    256.811  1266.12    397.603  49.073  4.8971  46.955  8.1114  2.118446       9.474981  
1 1 1 -19 37  16 o 47.392  4.4458  1240.81    225.538  1447.47    262.570  659.232    440.474  51.140  4.7964  33.805  10.719  17.33540       11.74314  
1 1 1 -19 37  17 o 128.679 3.3292  9031.03    463.999  8597.24    541.233  10233.97   901.290  125.359 3.9862  135.841 6.1258  -10.48221      7.308584  
1 1 1 -19 37  18 o 74.327  3.4472  3017.60    277.512  2900.09    322.838  3350.18    543.110  72.619  4.1215  77.205  6.5570  -4.585083      7.744713  
1 1 1 -19 37  19 f 24.190  7.4644  333.198    215.116  268.187    255.723  490.547    397.840  22.956  8.1705  29.662  10.218  -6.706043      13.08320  
1 1 1 -19 37  20 o 110.892 3.3130  6727.70    397.916  7052.77    474.576  5958.16    730.185  113.331 3.8662  102.635 6.6036  10.69638       7.652106  
1 1 1 -19 37  21 f 33.842  6.4219  666.248    226.783  694.674    287.333  619.284    369.324  34.070  7.9343  31.931  9.7685  2.139196       12.58478  
1 1 1 -19 37  22 o 31.854  2.3928  556.262    81.951   535.978    83.965   963.968    376.441  31.247  2.5020  39.683  8.9693  -8.436050      9.311728  
1 1 1 -19 37  23 o 59.610  4.0169  1977.02    257.834  1835.16    411.841  2068.45    330.649  55.977  6.9418  60.498  5.0935  -4.520889      8.610020  
1 1 1 -19 37  24 o 24.587  7.0649  368.497    198.110  549.994    386.597  303.862    230.704  29.291  10.074  22.809  7.7837  6.481319       12.73059  
1 1 1 -19 37  25 o 23.383  8.4891  324.350    277.609  505.823    377.025  109.458    410.275  27.741  9.9158  21.673  9.4105  6.067623       13.67047  
1 1 1 -19 37  26 o 23.615  9.7306  277.466    401.980  277.466    401.980  0.0000     0.0000   23.615  9.7306  ?       ?       0.000000       9.730576  
1 1 1 -19 37  27 o 58.267  7.7336  2181.66    476.002  2181.66    476.002  0.0000     0.0000   58.267  7.7336  ?       ?       0.000000       7.733648  
1 1 1 -19 37  28 o 19.053  8.6514  -7.1923    388.170  -7.1923    388.170  0.0000     0.0000   19.053  8.6514  ?       ?       0.000000       8.651408  
1 1 1 -19 37  29 o 35.269  10.631  997.314    439.748  997.314    439.748  0.0000     0.0000   35.269  10.631  ?       ?       0.000000       10.63103  
1 1 1 -19 38  1  o 133.218 3.1218  9630.88    450.437  9852.06    514.814  8908.70    930.247  134.701 3.5287  127.466 6.7622  7.234268       7.627522  
1 1 1 -19 38  2  o 91.044  2.6399  4495.59    260.322  4304.56    293.096  5209.36    566.541  89.068  3.0382  97.634  5.3782  -8.566299      6.177058  
1 1 1 -19 38  3  o 194.036 3.7628  20451.19   790.789  20092.84   909.082  21565.61   1603.16  192.229 4.3663  198.378 7.4613  -6.149445      8.644953  
1 1 1 -19 38  4  o 59.150  2.7057  1897.80    173.342  1772.49    190.871  2487.52    414.080  57.066  3.0997  67.293  5.7360  -10.22696      6.519949  
1 1 1 -19 38  5  o 124.178 3.0706  8368.63    412.993  8670.61    469.974  7344.86    865.329  126.365 3.4338  115.627 6.9417  10.73713       7.744566  
1 1 1 -19 38  6  o 224.828 4.1579  27486.44   1012.51  26346.63   1166.26  30974.59   2040.23  219.944 4.8957  237.392 7.9349  -17.44763      9.323684  
1 1 1 -19 38  7  o 106.646 2.8751  6172.19    332.093  6220.95    379.960  6014.40    683.483  107.033 3.2776  104.729 6.0513  2.304230       6.881878  
1 1 1 -19 38  8  o 217.613 4.1249  25765.67   972.219  25853.37   1120.74  25499.03   1954.33  217.817 4.7505  214.913 8.3958  2.904114       9.646646  
1 1 1 -19 38  9  o 131.322 3.7041  9377.99    526.848  9268.92    627.546  9638.43    969.717  130.439 4.4419  132.325 6.7888  -1.886642      8.112889  
1 1 1 -19 38  10 o 88.898  2.9715  4292.42    286.114  4278.58    331.929  4332.45    564.383  88.709  3.4547  88.739  5.9058  -0.3018188E-01 6.841989  
1 1 1 -19 38  11 o 28.753  5.6238  468.142    168.867  430.724    191.838  596.916    355.888  27.448  6.5450  32.357  9.5189  -4.909121      11.55193  
1 1 1 -19 38  12 o 39.241  4.4784  851.288    186.936  800.938    215.711  1003.14    374.620  37.866  5.4137  41.712  8.5784  -3.845985      10.14377  
1 1 1 -19 38  13 o 45.193  4.1718  1123.74    201.896  1209.11    236.193  892.143    389.035  46.792  4.7252  39.103  9.3180  7.689156       10.44764  
1 1 1 -19 38  14 o 142.462 3.4312  11053.11   529.432  10988.07   600.194  11281.18   1123.92  141.925 3.9045  142.343 7.3147  -0.4179840     8.291557  
1 1 1 -19 38  15 o 48.079  4.3110  1274.18    222.113  1435.68    266.871  910.119    400.675  50.936  4.8977  39.305  9.5140  11.63094       10.70069  
1 1 1 -19 38  16 o 57.709  3.9304  1828.36    244.204  1767.92    289.532  1977.33    454.570  56.561  4.7707  59.106  7.2529  -2.545311      8.681260  
1 1 1 -19 38  17 o 22.851  7.3289  287.921    205.466  195.427    241.057  533.617    392.883  21.031  7.8620  30.760  10.154  -9.729143      12.84158  
1 1 1 -19 38  18 o 30.220  6.6828  529.748    212.927  387.202    250.751  898.240    403.161  26.054  8.0621  38.679  9.6540  -12.62492      12.57763  
1 1 1 -19 38  19 o 38.941  2.4517  828.640    102.878  1293.13    280.638  756.528    110.576  47.962  5.5019  37.154  2.7677  10.80766       6.158803  
1 1 1 -19 38  20 o 77.527  3.6456  3296.34    306.123  3339.95    368.095  3198.53    551.260  77.702  4.3918  74.907  6.8712  2.794617       8.154827  
1 1 1 -19 38  21 o 70.600  3.7222  2746.90    283.623  2827.09    348.589  2589.84    487.842  71.330  4.5356  67.209  6.7950  4.121101       8.169716  
1 1 1 -19 38  22 o 30.233  7.2596  545.976    234.722  485.359    307.596  630.479    363.179  28.455  8.9499  31.970  9.6668  -3.515778      13.17372  
1 1 1 -19 38  23 f 42.607  2.3533  994.224    108.181  1274.38    384.521  970.143    112.734  45.851  8.0357  42.059  2.4857  3.792038       8.411409  
1 1 1 -19 38  24 o 46.993  4.9462  1265.39    247.975  807.107    421.740  1507.55    306.568  34.423  10.419  50.924  5.6537  -16.50010      11.85406  
1 1 1 -19 38  25 o 32.760  10.041  746.230    389.987  746.230    389.987  0.0000     0.0000   32.760  10.041  ?       ?       0.000000       10.04069  
1 1 1 -19 38  26 o 43.992  9.1499  1304.82    421.768  1304.82    421.768  0.0000     0.0000   43.992  9.1499  ?       ?       0.000000       9.149875  
1 1 1 -19 38  27 o 22.534  9.6745  214.275    424.086  214.275    424.086  0.0000     0.0000   22.534  9.6745  ?       ?       0.000000       9.674494  
1 1 1 -19 38  28 o 24.343  10.133  367.722    442.138  367.722    442.138  0.0000     0.0000   24.343  10.133  ?       ?       0.000000       10.13256  
1 1 1 -19 38  29 o 23.575  9.2062  368.556    340.066  368.556    340.066  0.0000     0.0000   23.575  9.2062  ?       ?       0.000000       9.206244  
1 1 1 -19 39  1  o 78.619  2.6676  3352.68    227.152  3415.28    254.080  3103.43    506.999  79.335  2.9569  75.110  6.2900  4.224709       6.950371  
1 1 1 -19 39  2  o 145.920 3.2723  11558.75   517.175  11959.41   592.505  10276.75   1059.85  148.380 3.6868  136.785 7.1789  11.59444       8.070239  
1 1 1 -19 39  3  o 161.237 3.3957  14115.64   593.018  14402.87   680.342  13207.23   1209.91  162.807 3.8582  155.259 7.1949  7.548431       8.164117  
1 1 1 -19 39  4  o 105.538 2.7082  6042.16    309.567  6100.30    360.304  5878.24    605.010  106.014 3.1379  103.697 5.4054  2.316559       6.250210  
1 1 1 -19 39  5  o 35.926  3.5585  707.908    136.645  874.352    151.037  -42.7515   320.752  39.968  3.5251  19.203  8.3294  20.76470       9.044594  
1 1 1 -19 39  6  o 35.093  3.5930  676.047    134.642  664.768    148.554  727.943    318.658  34.736  4.0230  35.650  8.3920  -0.9139175     9.306510  
1 1 1 -19 39  7  f 48.535  3.0673  1284.02    160.417  1213.40    179.573  1563.04    356.943  47.123  3.5443  53.073  6.3347  -5.949482      7.258825  
1 1 1 -19 39  8  o 55.379  3.0822  1670.57    184.143  1908.26    210.221  886.906    381.717  59.176  3.2929  39.231  9.1511  19.94436       9.725554  
1 1 1 -19 39  9  o 62.238  4.5904  2123.00    307.255  2131.23    461.542  2116.46    411.756  61.875  7.0107  61.833  6.2332  0.4159546E-01  9.380971  
1 1 1 -19 39  10 o 127.218 3.1624  8795.29    435.741  8709.77    497.976  9074.70    900.141  126.527 3.6337  128.348 6.4963  -1.821007      7.443528  
1 1 1 -19 39  11 o 62.278  3.4292  2116.17    230.421  2049.69    267.528  2307.18    453.495  61.198  4.0592  64.422  6.5922  -3.224457      7.741655  
1 1 1 -19 39  12 o 65.298  3.3743  2326.10    237.827  2312.69    277.185  2363.50    463.027  65.020  3.9548  65.145  6.6557  -0.1254730     7.742013  
1 1 1 -19 39  13 o 54.660  2.3334  1621.97    138.146  1602.87    249.942  1630.38    165.768  54.012  4.3083  54.701  2.8074  -0.6889191     5.142278  
1 1 1 -19 39  14 f 61.715  2.5420  2069.22    169.917  2068.75    275.463  2069.51    215.880  61.405  4.1665  61.572  3.2486  -0.1675835     5.283266  
1 1 1 -19 39  15 o 62.612  2.6176  2131.18    177.513  2301.99    292.128  2031.19    223.512  64.750  4.1879  60.953  3.3991  3.796581       5.393737  
1 1 1 -19 39  16 o 95.038  3.2418  4922.64    333.694  5124.97    395.087  4419.09    623.281  96.864  3.7658  88.973  6.5131  7.890839       7.523402  
1 1 1 -19 39  17 o 15.801  6.7356  6.8098     202.934  -50.8977   239.704  152.823    381.290  16.139  7.0959  23.437  9.5458  -7.298424      11.89432  
1 1 1 -19 39  18 o 28.098  7.0290  460.561    213.378  377.225    252.781  667.133    397.983  25.780  8.1141  33.498  10.117  -7.717878      12.96914  
1 1 1 -19 39  19 o 65.746  3.8375  2378.74    272.081  2366.74    322.171  2408.59    508.069  65.361  4.5799  64.815  7.3682  0.5454178      8.675564  
1 1 1 -19 39  20 o 29.908  6.9722  526.374    221.685  385.229    262.168  880.495    415.263  25.890  8.2760  37.812  9.9900  -11.92225      12.97270  
1 1 1 -19 39  21 o 57.249  4.1772  1817.82    257.228  1662.48    317.696  2113.49    438.294  54.274  5.4795  60.641  6.7896  -6.367844      8.724853  
1 1 1 -19 39  22 o 44.571  5.3604  1128.93    253.583  1221.92    328.229  991.244    399.393  45.758  6.8320  39.922  9.3934  5.836163       11.61517  
1 1 1 -19 39  23 o 26.828  1.4694  392.267    42.536   396.390    43.097   237.115    264.396  26.968  1.4812  21.824  8.2190  5.143408       8.351381  
1 1 1 -19 39  24 o 12.368  5.8359  -195.2083  204.061  -220.4055  353.907  -182.6590  249.760  16.917  7.8865  14.185  6.6171  2.731582       10.29478  
1 1 1 -19 39  25 o 20.759  9.0499  80.275     382.619  80.275     382.619  0.0000     0.0000   20.759  9.0499  ?       ?       0.000000       9.049910  
1 1 1 -19 39  26 o 19.634  8.8819  -29.4790   404.586  -29.4790   404.586  0.0000     0.0000   19.634  8.8819  ?       ?       0.000000       8.881935  
1 1 1 -19 39  27 o 25.045  10.069  397.082    418.138  397.082    418.138  0.0000     0.0000   25.045  10.069  ?       ?       0.000000       10.06920  
1 1 1 -19 39  28 o 32.245  10.727  835.414    438.235  835.414    438.235  0.0000     0.0000   32.245  10.727  ?       ?       0.000000       10.72746  
1 1 1 -19 39  29 o 19.325  8.8481  -14.0986   417.006  -14.0986   417.006  0.0000     0.0000   19.325  8.8481  ?       ?       0.000000       8.848134  
1 1 1 -19 40  1  o 195.804 4.2830  20853.19   908.321  19989.27   1147.41  22303.36   1486.59  191.428 5.5341  201.833 6.8003  -10.40582      8.767574  
1 1 1 -19 40  2  o 149.223 3.1405  12087.08   507.576  11842.06   580.931  12877.67   1043.51  147.644 3.6328  153.492 6.2768  -5.847427      7.252278  
1 1 1 -19 40  3  o 154.896 3.3412  13027.86   560.548  13543.76   642.877  11391.74   1144.87  157.877 3.7596  143.925 7.3690  13.95186       8.272617  
1 1 1 -19 40  4  o 53.033  2.0609  1524.70    118.378  1524.91    124.316  1522.59    387.652  53.034  2.1642  52.258  7.0270  0.7761230      7.352729  
1 1 1 -19 40  5  o 97.088  2.8218  5115.10    296.736  5272.40    337.011  4572.45    625.951  98.545  3.1575  91.200  6.3770  7.344727       7.115903  
1 1 1 -19 40  6  o 181.307 3.5936  17863.72   705.695  17237.34   811.619  19804.63   1428.68  177.985 4.2102  190.007 6.9422  -12.02194      8.119064  
1 1 1 -19 40  7  o 116.754 2.8879  7399.86    365.200  7183.46    417.745  8101.38    752.159  114.986 3.3542  121.742 5.7043  -6.755486      6.617369  
1 1 1 -19 40  8  o 46.064  3.2287  1158.41    160.071  1170.58    180.172  1112.82    348.734  46.259  3.6250  44.363  7.5267  1.895214       8.354181  
1 1 1 -19 40  9  f 31.695  6.8991  573.502    230.113  711.258    351.205  469.877    304.606  35.106  9.1451  29.001  8.8713  6.105110       12.74098  
1 1 1 -19 40  10 o 169.670 3.5473  15661.61   651.894  15800.89   751.343  15237.47   1311.14  170.300 4.0734  166.143 7.2861  4.156708       8.347465  
1 1 1 -19 40  11 o 15.197  6.1522  54.677     157.264  -29.6738   178.421  348.409    332.949  14.217  6.1895  26.440  9.3323  -12.22247      11.19827  
1 1 1 -19 40  12 o 70.861  2.6701  2727.59    204.927  2754.34    292.970  2701.96    286.751  70.993  3.8242  70.320  3.7787  0.6725769      5.376200  
1 1 1 -19 40  13 o 73.150  3.3272  2912.61    263.611  2943.15    310.812  2834.34    497.585  73.356  3.9262  71.370  6.5085  1.986206       7.601028  
1 1 1 -19 40  14 f 71.553  3.4021  2789.10    263.661  2720.79    311.376  2962.18    495.628  70.461  4.0977  72.952  6.3355  -2.491043      7.545177  
1 1 1 -19 40  15 o 85.945  2.9288  4019.87    272.632  4361.62    365.836  3593.02    408.862  89.378  3.7791  80.814  4.6913  8.564529       6.024107  
1 1 1 -19 40  16 o 154.450 3.4726  13016.08   580.920  13239.86   676.418  12387.14   1133.99  155.577 4.0142  148.957 7.0287  6.620041       8.094254  
1 1 1 -19 40  17 o 50.521  4.2441  1409.19    230.084  1266.04    266.134  1832.81    457.824  47.622  5.2467  56.570  7.6698  -8.948437      9.292691  
1 1 1 -19 40  18 f 39.150  5.6137  866.520    231.228  755.477    275.437  1131.58    425.545  36.009  7.3119  43.528  9.3081  -7.519146      11.83659  
1 1 1 -19 40  19 o 21.055  7.4603  225.186    212.967  167.319    253.088  365.548    394.169  20.529  7.9628  27.096  10.068  -6.566952      12.83654  
1 1 1 -19 40  20 f 35.779  6.1530  737.696    229.845  748.438    273.621  711.947    423.624  35.643  7.3324  34.087  10.468  1.555458       12.78028  
1 1 1 -19 40  21 o 17.649  7.1003  96.128     208.058  109.268    252.109  68.065     368.417  19.168  7.7791  21.426  9.1030  -2.258068      11.97416  
1 1 1 -19 40  22 o 28.826  7.5513  501.000    238.582  604.352    319.898  371.458    358.144  31.295  8.9731  26.212  9.6229  5.082754       13.15743  
1 1 1 -19 40  23 o 17.400  7.0541  97.547     207.066  284.613    349.400  -3.7191    257.074  24.038  9.3470  17.007  7.4161  7.031366       11.93170  
1 1 1 -19 40  24 o 37.032  7.3952  851.282    286.231  1192.94    416.738  546.178    393.817  42.549  9.3022  28.806  10.151  13.74275       13.76897  
1 1 1 -19 40  25 o 28.428  10.268  544.005    405.382  544.005    405.382  0.0000     0.0000   28.428  10.268  ?       ?       0.000000       10.26791  
1 1 1 -19 40  26 o 50.680  8.9262  1712.06    472.074  1712.06    472.074  0.0000     0.0000   50.680  8.9262  ?       ?       0.000000       8.926243  
1 1 1 -19 40  27 o 21.527  9.4649  138.004    426.467  138.004    426.467  0.0000     0.0000   21.527  9.4649  ?       ?       0.000000       9.464869  
1 1 1 -19 40  28 o 24.064  10.079  353.344    441.315  353.344    441.315  0.0000     0.0000   24.064  10.079  ?       ?       0.000000       10.07881  
1 1 1 -19 41  1  o 73.464  4.1542  2944.76    329.189  3465.43    455.897  2377.58    475.828  79.534  5.3230  65.536  6.8026  13.99847       8.637691  
1 1 1 -19 41  2  o 166.588 3.4629  15074.42   624.824  14634.00   726.478  16326.17   1224.74  164.039 4.0889  172.697 6.5477  -8.657837      7.719547  
1 1 1 -19 41  3  o 165.682 3.5178  14912.81   631.268  15372.17   724.719  13468.23   1285.17  168.140 3.9795  156.559 7.5791  11.58192       8.560284  
1 1 1 -19 41  4  o 133.589 3.1178  9689.07    451.112  9716.63    515.690  9599.26    931.023  133.727 3.5604  132.410 6.4919  1.317429       7.404119  
1 1 1 -19 41  5  o 74.974  2.0311  3047.52    164.934  2991.90    200.733  3163.09    289.371  74.265  2.4955  76.298  3.5016  -2.032753      4.299895  
1 1 1 -19 41  6  o 38.673  3.2893  818.287    136.469  852.747    150.485  658.710    323.832  39.451  3.5601  33.877  8.7605  5.574627       9.456261  
1 1 1 -19 41  7  o 14.525  5.2898  93.818     107.912  136.479    117.263  -142.1095  275.763  16.397  5.5495  16.285  7.3529  0.1115780      9.212094  
1 1 1 -19 41  8  o 116.226 2.9539  7336.43    371.850  7380.49    428.419  7201.85    748.733  116.522 3.3946  114.480 6.0601  2.041634       6.946058  
1 1 1 -19 41  9  o 34.786  6.5525  686.137    237.822  384.646    359.940  919.737    316.832  27.674  9.7087  40.188  7.5563  -12.51363      12.30272  
1 1 1 -19 41  10 o 86.974  3.0152  4110.60    284.039  3937.56    325.480  4663.29    581.693  85.069  3.5325  92.019  5.8670  -6.949821      6.848387  
1 1 1 -19 41  11 o 70.287  3.2167  2686.79    244.884  2755.52    281.940  2475.65    494.146  71.041  3.6768  66.616  6.9511  4.425377       7.863571  
1 1 1 -19 41  12 o 48.073  2.3457  1254.56    122.137  1514.05    232.260  1155.37    143.595  52.522  4.1157  46.015  2.8960  6.507851       5.032498  
1 1 1 -19 41  13 o 37.515  5.1786  785.943    204.809  772.383    244.494  817.841    375.001  36.918  6.3430  37.380  9.3002  -0.4613342     11.25735  
1 1 1 -19 41  14 o 128.278 3.2307  8961.12    448.869  8988.45    522.153  8883.73    878.614  128.349 3.7561  126.535 6.4320  1.813499       7.448443  
1 1 1 -19 41  15 o 113.901 3.1928  7067.75    393.884  6383.03    459.828  8954.70    763.340  108.079 3.9281  127.454 5.5296  -19.37511      6.782820  
1 1 1 -19 41  16 o 110.506 3.2196  6657.35    385.356  6603.94    466.365  6772.29    684.188  109.887 3.9184  110.524 5.7351  -0.6373444     6.945891  
1 1 1 -19 41  17 o 39.280  5.3091  866.984    220.087  1143.52    263.771  233.245    399.303  45.148  5.5083  25.070  9.9187  20.07795       11.34562  
1 1 1 -19 41  18 o 40.891  1.8910  908.169    83.749   721.562    263.775  929.090    88.319   35.193  7.1637  41.354  1.9718  -6.161602      7.430083  
1 1 1 -19 41  19 o 15.283  6.6915  -34.0340   211.208  87.745     252.942  -314.4775  383.847  18.885  7.7428  17.546  8.1911  1.339220       11.27137  
1 1 1 -19 41  20 o 42.378  5.3458  1015.53    239.913  1073.75    286.794  879.820    437.865  43.252  6.3076  37.598  10.401  5.653831       12.16451  
1 1 1 -19 41  21 o 46.483  5.0340  1216.46    249.393  1270.26    298.467  1092.00    453.965  47.156  5.9779  41.793  10.134  5.363087       11.76538  
1 1 1 -19 41  22 o 34.898  6.8309  721.588    248.956  883.175    333.996  519.569    373.452  38.002  8.3431  29.328  9.9037  8.674320       12.94955  
1 1 1 -19 41  23 o 92.720  4.0859  4793.13    410.332  4913.23    539.756  4628.69    631.601  92.760  5.3957  88.896  6.6071  3.864365       8.530347  
1 1 1 -19 41  24 o 45.187  2.4739  1124.01    120.618  1456.00    439.440  1096.96    125.436  47.429  8.8807  44.598  2.6081  2.831131       9.255734  
1 1 1 -19 41  25 o 45.737  9.4502  1406.97    452.661  1406.97    452.661  0.0000     0.0000   45.737  9.4502  ?       ?       0.000000       9.450169  
1 1 1 -19 41  26 f 50.025  8.5852  1650.97    448.410  1650.97    448.410  0.0000     0.0000   50.025  8.5852  ?       ?       0.000000       8.585176  
1 1 1 -19 41  27 o 21.136  9.2761  131.420    407.972  131.420    407.972  0.0000     0.0000   21.136  9.2761  ?       ?       0.000000       9.276124  
1 1 1 -19 41  28 o ?       ?       -331.0022  44.151   -331.0022  44.151   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -19 42  1  o 148.001 4.6508  11931.92   745.521  11950.53   1048.88  11912.92   1059.86  147.692 6.5569  147.439 6.6369  0.2534637      9.329610  
1 1 1 -19 42  2  o 225.069 4.3467  27572.63   1059.62  28507.32   1220.31  24708.16   2136.28  228.687 4.9267  211.129 9.3420  17.55801       10.56155  
1 1 1 -19 42  3  o 169.104 3.6112  15541.25   661.415  15451.66   727.321  15969.48   1590.11  168.551 3.9841  169.782 8.6760  -1.230911      9.547017  
1 1 1 -19 42  4  o 135.321 3.0547  9942.59    447.724  9648.31    511.370  10908.97   926.677  133.244 3.5434  141.208 6.0590  -7.964600      7.019014  
1 1 1 -19 42  5  o 142.376 3.1970  11010.12   492.997  10933.98   564.655  11254.28   1011.17  141.815 3.6761  143.282 6.5157  -1.466522      7.481221  
1 1 1 -19 42  6  o 16.916  5.2192  155.851    105.174  181.545    113.585  1.3870     278.497  18.117  5.3899  18.492  7.8867  -0.3745575     9.552593  
1 1 1 -19 42  7  o 39.495  3.3211  853.685    140.748  883.853    156.263  723.995    323.995  40.152  3.6325  35.459  8.5382  4.692253       9.278789  
1 1 1 -19 42  8  o 75.865  2.7363  3124.91    224.842  3130.67    255.341  3105.00    474.413  75.907  3.1058  75.053  5.8831  0.8536072      6.652595  
1 1 1 -19 42  9  o 129.054 4.5763  9088.64    639.674  9322.75    882.725  8829.75    928.263  130.275 6.2559  126.449 6.8028  3.826996       9.242011  
1 1 1 -19 42  10 o 55.177  3.4461  1662.83    204.914  1489.33    233.079  2253.41    430.022  52.101  4.1652  63.710  6.3150  -11.60941      7.564917  
1 1 1 -19 42  11 o 151.594 3.4935  12509.42   573.608  12465.70   642.255  12681.75   1275.18  151.228 3.9211  150.898 7.8291  0.3294525      8.756087  
1 1 1 -19 42  12 o 56.307  3.5689  1733.72    216.533  1828.90    250.807  1455.09    429.110  57.763  4.0342  50.510  8.1187  7.252892       9.065760  
1 1 1 -19 42  13 o 108.852 3.1621  6448.67    372.811  6475.99    433.932  6371.63    728.530  108.988 3.6760  107.241 6.2998  1.747177       7.293896  
1 1 1 -19 42  14 o 44.110  4.4842  1076.00    211.256  1103.37    250.026  1007.70    394.970  44.496  5.2918  41.469  9.0480  3.026340       10.48187  
1 1 1 -19 42  15 o 56.203  3.8758  1733.99    234.492  1900.27    278.575  1329.72    434.358  58.735  4.4112  47.827  8.7058  10.90854       9.759603  
1 1 1 -19 42  16 o 50.393  2.2673  1379.90    123.750  1246.76    260.457  1418.72    140.639  47.301  5.1680  51.075  2.5423  -3.774048      5.759493  
1 1 1 -19 42  17 o 59.519  3.8437  1947.39    246.463  2129.27    297.995  1553.63    438.469  62.092  4.4607  51.791  8.0802  10.30064       9.229766  
1 1 1 -19 42  18 o 52.937  4.1490  1548.62    235.984  1386.33    299.629  1813.73    382.967  49.631  5.6760  56.598  6.3572  -6.967373      8.522418  
1 1 1 -19 42  19 o 36.009  5.9957  743.252    225.615  604.963    266.490  1093.21    423.930  31.923  7.7786  42.459  9.4605  -10.53525      12.24779  
1 1 1 -19 42  20 o 71.435  3.8422  2814.02    296.184  2535.26    353.557  3470.00    542.373  67.424  4.8743  78.119  6.4684  -10.69482      8.099350  
1 1 1 -19 42  21 o 36.614  6.2234  777.142    237.967  735.420    284.160  875.102    435.415  35.049  7.6962  37.235  10.398  -2.186577      12.93615  
1 1 1 -19 42  22 o 20.998  1.6354  241.135    36.901   241.497    37.076   203.131    380.305  21.013  1.6421  23.408  9.5337  -2.394945      9.674047  
1 1 1 -19 42  23 o 30.880  7.7320  594.175    258.027  760.370    351.515  400.004    379.951  34.189  9.2627  26.316  9.8640  7.873152       13.53129  
1 1 1 -19 42  24 o 62.033  4.9387  2210.45    329.075  2272.44    453.247  2141.34    478.546  61.245  6.9562  58.757  7.7053  2.487335       10.38072  
1 1 1 -19 42  25 o 42.102  2.1714  973.709    98.679   973.709    98.679   0.0000     0.0000   42.102  2.1714  ?       ?       0.000000       2.171363  
1 1 1 -19 42  26 o 33.269  10.757  835.935    441.945  835.935    441.945  0.0000     0.0000   33.269  10.757  ?       ?       0.000000       10.75681  
1 1 1 -19 42  27 o 22.726  9.6535  251.237    414.176  251.237    414.176  0.0000     0.0000   22.726  9.6535  ?       ?       0.000000       9.653502  
1 1 1 -19 42  28 o 28.471  10.551  630.224    432.329  630.224    432.329  0.0000     0.0000   28.471  10.551  ?       ?       0.000000       10.55136  
1 1 1 -19 43  1  o 87.838  4.0761  4198.44    387.792  4336.94    539.023  4049.84    558.328  88.910  5.6264  85.819  6.0454  3.091858       8.258486  
1 1 1 -19 43  2  o 100.048 2.4683  5430.17    267.469  5063.41    300.653  6821.92    585.668  96.580  2.8742  111.861 4.8340  -15.28114      5.623870  
1 1 1 -19 43  3  o 139.893 3.0090  10626.06   455.924  10276.23   520.218  11784.70   946.746  137.509 3.4929  146.763 5.9559  -9.254684      6.904547  
1 1 1 -19 43  4  o 66.746  2.6530  2417.65    191.791  2371.76    212.941  2614.84    441.419  66.092  2.9747  68.873  5.9766  -2.781403      6.675995  
1 1 1 -19 43  5  o 129.765 2.9814  9143.96    419.037  9067.98    478.672  9393.20    866.911  129.170 3.4214  130.956 6.1120  -1.786041      7.004437  
1 1 1 -19 43  6  o 85.682  2.7296  3985.27    253.318  3968.69    289.181  4039.94    525.186  85.472  3.1237  85.744  5.6874  -0.2717285     6.488771  
1 1 1 -19 43  7  o 28.427  4.2846  450.025    127.826  517.766    141.297  144.704    299.974  30.513  4.4029  21.640  8.5858  8.872396       9.648927  
1 1 1 -19 43  8  o 137.785 3.0230  10314.88   451.134  9554.79    514.778  12831.29   936.651  132.523 3.5864  153.054 5.6502  -20.53096      6.692292  
1 1 1 -19 43  9  o 108.033 3.4890  6349.85    408.251  6328.90    493.956  6395.03    725.201  107.737 4.2331  107.696 6.2439  0.4031372E-01  7.543543  
1 1 1 -19 43  10 o 82.930  3.0157  3738.28    270.874  3531.74    310.895  4389.14    551.902  80.547  3.5636  89.250  5.7397  -8.703041      6.756043  
1 1 1 -19 43  11 o 45.392  4.1205  1133.07    200.375  1014.17    231.721  1485.50    398.956  42.741  5.1067  51.281  7.3967  -8.540749      8.988289  
1 1 1 -19 43  12 o 34.126  4.9233  650.550    176.710  426.376    200.854  1418.45    371.742  27.238  6.8228  50.143  7.0387  -22.90479      9.802732  
1 1 1 -19 43  13 o 33.022  5.6896  616.637    196.153  566.818    231.307  744.199    370.125  31.368  6.9873  35.619  9.4414  -4.251144      11.74573  
1 1 1 -19 43  14 o 33.999  5.3910  651.125    191.894  648.827    224.948  657.266    367.744  33.700  6.3969  33.519  9.6237  0.1806107      11.55577  
1 1 1 -19 43  15 o 59.985  3.7247  1972.68    240.799  2119.94    285.534  1610.04    448.080  62.076  4.2729  52.943  8.0691  9.132149       9.130619  
1 1 1 -19 43  16 o 93.535  3.2726  4772.85    331.542  4567.70    394.319  5267.74    612.435  91.342  3.9857  97.331  5.8365  -5.988701      7.067555  
1 1 1 -19 43  17 o 29.150  6.6010  493.284    203.564  585.205    248.753  306.934    354.183  31.618  7.3956  25.519  9.5318  6.098812       12.06443  
1 1 1 -19 43  18 o 68.583  3.6158  2582.82    267.639  2618.29    310.063  2479.15    530.075  68.896  4.1748  65.679  7.5913  3.217354       8.663551  
1 1 1 -19 43  19 o 36.532  5.8400  763.233    223.294  797.844    261.926  671.170    427.184  37.056  6.7757  33.310  10.555  3.745777       12.54297  
1 1 1 -19 43  20 f 35.596  5.9775  729.220    222.287  823.272    259.990  473.641    428.584  37.643  6.6183  29.266  10.560  8.377640       12.46226  
1 1 1 -19 43  21 o 27.095  7.3572  438.370    221.476  330.093    261.688  711.735    415.802  24.264  8.2899  33.710  10.374  -9.445522      13.27909  
1 1 1 -19 43  22 o 38.275  6.9978  873.217    279.411  939.170    358.654  771.383    445.661  38.822  8.7401  34.370  10.767  4.452213       13.86760  
1 1 1 -19 43  23 o 56.138  4.7107  1791.97    283.777  1923.66    368.018  1598.84    445.686  57.345  6.0148  50.490  8.4484  6.854355       10.37076  
1 1 1 -19 43  24 o 36.172  10.399  916.986    429.129  916.986    429.129  0.0000     0.0000   36.172  10.399  ?       ?       0.000000       10.39907  
1 1 1 -19 43  25 o 29.616  10.342  616.623    408.225  616.623    408.225  0.0000     0.0000   29.616  10.342  ?       ?       0.000000       10.34229  
1 1 1 -19 43  26 o 19.520  8.8121  -9.5284    395.882  -9.5284    395.882  0.0000     0.0000   19.520  8.8121  ?       ?       0.000000       8.812121  
1 1 1 -19 43  27 o 23.796  9.9800  319.230    433.679  319.230    433.679  0.0000     0.0000   23.796  9.9800  ?       ?       0.000000       9.980038  
1 1 1 -19 43  28 o 33.920  11.051  941.170    465.973  941.170    465.973  0.0000     0.0000   33.920  11.051  ?       ?       0.000000       11.05109  
1 1 1 -19 44  1  o 150.580 4.6855  12361.75   764.178  12252.21   1075.48  12473.46   1086.02  149.408 6.6459  150.750 6.6514  -1.341339      9.402630  
1 1 1 -19 44  2  o 132.143 2.7813  9478.66    398.065  8935.68    453.086  11315.86   833.425  128.245 3.2619  143.928 5.3463  -15.68205      6.262806  
1 1 1 -19 44  3  o 108.441 2.8680  6384.41    336.854  6641.96    386.954  5578.52    684.494  110.569 3.2311  100.690 6.3083  9.878853       7.087638  
1 1 1 -19 44  4  o 21.438  1.4054  250.111    32.452   250.212    32.643   241.594    299.743  21.442  1.4136  23.612  8.7787  -2.170553      8.891799  
1 1 1 -19 44  5  o 58.318  2.9098  1846.86    183.797  1973.13    205.807  1349.44    408.484  60.180  3.1686  48.816  8.0033  11.36478       8.607705  
1 1 1 -19 44  6  o 150.938 3.2109  12380.87   524.931  12706.22   603.675  11372.09   1062.98  152.831 3.6469  143.781 6.8258  9.050400       7.738945  
1 1 1 -19 44  7  o 98.435  2.5971  5259.86    276.889  4917.89    331.736  6045.26    502.745  95.120  3.2200  105.292 4.4084  -10.17221      5.459123  
1 1 1 -19 44  8  o 53.102  3.0519  1537.38    174.791  1376.68    191.824  2323.68    424.305  50.177  3.5526  64.776  6.1203  -14.59922      7.076611  
1 1 1 -19 44  9  o 47.001  4.4321  1216.14    222.960  1014.39    266.557  1686.07    406.825  42.589  5.9403  54.847  7.0086  -12.25765      9.187349  
1 1 1 -19 44  10 o 52.863  1.9503  1515.80    111.667  1094.70    223.009  1656.71    129.004  44.514  4.6964  55.256  2.1555  -10.74231      5.167428  
1 1 1 -19 44  11 o 54.098  3.6558  1601.56    212.954  1426.82    245.760  2128.14    426.625  50.904  4.5039  61.792  6.4704  -10.88739      7.883654  
1 1 1 -19 44  12 o 57.625  3.5549  1816.13    220.789  1830.05    255.664  1775.30    437.908  57.750  4.1143  56.068  7.3912  1.682461       8.459137  
1 1 1 -19 44  13 o 156.771 3.4285  13394.36   582.153  13219.84   672.690  13914.93   1161.83  155.572 3.9922  158.346 6.7743  -2.773148      7.863167  
1 1 1 -19 44  14 o 105.945 3.2213  6115.16    369.642  6165.60    434.373  5982.73    703.810  106.262 3.7741  103.743 6.2934  2.519264       7.338275  
1 1 1 -19 44  15 o 74.077  3.3907  2993.44    272.051  2757.11    319.739  3613.21    517.797  70.839  4.1858  80.567  5.9764  -9.727631      7.296463  
1 1 1 -19 44  16 o 35.784  5.5536  724.148    208.271  828.198    250.590  491.721    374.528  38.114  6.2896  29.642  9.9184  8.472349       11.74454  
1 1 1 -19 44  17 o 38.377  5.3071  829.772    214.693  674.134    259.836  1164.67    381.149  33.977  7.2798  44.594  8.1931  -10.61795      10.96007  
1 1 1 -19 44  18 o 91.881  3.2945  4615.71    327.857  4488.42    385.251  4950.00    624.330  90.423  3.9336  93.855  6.1762  -3.431816      7.322476  
1 1 1 -19 44  19 o 57.494  4.0323  1827.61    249.509  1556.89    289.471  2610.09    492.132  52.699  5.1368  67.581  6.8165  -14.88192      8.535298  
1 1 1 -19 44  20 f 20.065  7.3437  195.202    208.356  166.655    242.899  274.708    405.362  20.154  7.8054  25.422  10.014  -5.267920      12.69669  
1 1 1 -19 44  21 o 17.856  7.2666  92.243     220.717  -44.5564   263.382  414.908    404.500  16.768  7.4025  27.607  10.211  -10.83941      12.61205  
1 1 1 -19 44  22 o 38.797  6.7362  894.464    272.794  1049.60    344.589  634.014    446.491  41.421  7.9702  31.463  10.826  9.958038       13.44329  
1 1 1 -19 44  23 o 59.354  5.1063  2023.18    325.068  2374.99    436.817  1586.53    486.638  63.294  6.4625  49.279  9.4615  14.01557       11.45788  
1 1 1 -19 44  24 o 55.880  7.8330  1950.95    461.059  1950.95    461.059  0.0000     0.0000   55.880  7.8330  ?       ?       0.000000       7.832965  
1 1 1 -19 44  25 o 27.842  10.420  524.253    423.658  524.253    423.658  0.0000     0.0000   27.842  10.420  ?       ?       0.000000       10.41983  
1 1 1 -19 44  26 o 29.098  10.427  621.272    417.158  621.272    417.158  0.0000     0.0000   29.098  10.427  ?       ?       0.000000       10.42715  
1 1 1 -19 44  27 o 36.582  10.512  1032.27    438.594  1032.27    438.594  0.0000     0.0000   36.582  10.512  ?       ?       0.000000       10.51198  
1 1 1 -19 44  28 o 21.235  9.3606  145.359    419.620  145.359    419.620  0.0000     0.0000   21.235  9.3606  ?       ?       0.000000       9.360622  
1 1 1 -19 45  1  o 32.156  2.0551  563.026    71.203   1151.42    400.383  543.810    72.356   44.879  8.5491  31.594  2.1268  13.28438       8.809728  
1 1 1 -19 45  2  o 28.457  7.6512  462.072    240.928  383.415    385.109  512.655    308.827  28.070  10.023  30.116  8.8694  -2.046190      13.38372  
1 1 1 -19 45  3  f 38.204  3.3205  799.185    136.031  882.176    149.011  384.103    333.250  40.135  3.4618  27.303  9.3548  12.83209       9.974762  
1 1 1 -19 45  4  o 19.889  4.7526  224.452    100.982  275.401    107.297  -170.5613  298.763  22.064  4.6372  16.715  7.5898  5.348644       8.894300  
1 1 1 -19 45  5  o 12.619  1.6756  87.834     22.336   89.415     22.406   -163.2006  282.362  12.736  1.6641  16.230  7.3729  -3.494100      7.558354  
1 1 1 -19 45  6  o 24.251  4.6741  331.636    118.319  320.388    125.535  421.125    354.081  23.776  5.0318  28.368  9.6431  -4.592587      10.87697  
1 1 1 -19 45  7  o 154.041 3.2998  12902.01   550.548  12783.16   630.715  13282.43   1128.39  153.229 3.8003  155.323 6.7074  -2.093445      7.709161  
1 1 1 -19 45  8  o 71.467  2.3386  2771.90    181.025  2707.83    244.556  2849.55    269.236  70.571  3.1995  72.372  3.4347  -1.801239      4.694045  
1 1 1 -19 45  9  o 105.324 3.5013  6037.77    399.413  6213.20    485.412  5669.99    702.840  106.726 4.1992  101.268 6.4413  5.457626       7.689249  
1 1 1 -19 45  10 o 58.002  3.4011  1837.22    212.728  1773.32    242.265  2052.39    444.561  56.896  3.9559  60.574  6.8991  -3.677761      7.952812  
1 1 1 -19 45  11 o 145.882 3.2890  11583.28   519.678  11792.19   599.291  10949.94   1043.45  147.077 3.7620  140.661 6.8490  6.415649       7.814188  
1 1 1 -19 45  12 o 66.605  3.2452  2415.33    234.106  2281.47    268.573  2838.78    477.675  64.549  3.8592  71.441  6.2358  -6.891869      7.333382  
1 1 1 -19 45  13 o 79.089  2.8101  3402.28    240.720  3910.49    327.332  2803.73    355.237  84.677  3.5691  71.387  4.6191  13.28962       5.837345  
1 1 1 -19 45  14 o 16.845  6.5834  98.486     174.007  110.466    202.941  65.226     338.136  18.049  7.0933  21.063  8.8220  -3.013693      11.31997  
1 1 1 -19 45  15 o 80.612  3.3588  3545.26    293.263  3591.95    347.242  3429.10    547.664  81.025  3.9568  78.238  6.5223  2.787216       7.628683  
1 1 1 -19 45  16 o 41.981  4.8231  982.738    215.326  950.599    257.233  1057.98    393.595  40.970  5.9724  42.298  8.8744  -1.327751      10.69693  
1 1 1 -19 45  17 o 46.626  2.2221  1182.13    112.220  1229.71    270.122  1172.20    123.371  46.798  5.4302  46.344  2.4667  0.4539528      5.964157  
1 1 1 -19 45  18 o 67.942  3.6376  2536.99    266.711  2687.78    318.900  2186.03    486.518  69.757  4.2409  61.621  7.4401  8.135857       8.563938  
1 1 1 -19 45  19 o 22.172  7.5749  265.513    218.495  388.719    258.405  -43.5155   409.247  25.933  8.2086  21.034  9.2594  4.899569       12.37407  
1 1 1 -19 45  20 o 61.477  4.0756  2093.43    269.837  2158.87    318.574  1927.28    507.622  62.183  4.7664  56.930  8.4922  5.253029       9.738414  
1 1 1 -19 45  21 o 22.003  2.3286  266.962    54.650   675.842    274.844  250.131    55.764   33.415  7.7452  21.266  2.4669  12.14964       8.128550  
1 1 1 -19 45  22 o 13.023  6.2277  -297.7817  248.217  -377.2240  319.720  -177.2537  393.811  14.682  7.0334  18.598  8.5457  -3.916030      11.06790  
1 1 1 -19 45  23 o 41.256  7.2331  1044.51    311.426  1404.33    421.609  612.451    462.004  46.903  8.6168  30.185  10.953  16.71738       13.93582  
1 1 1 -19 45  24 o 18.421  8.4247  -110.9936  376.623  -110.9936  376.623  0.0000     0.0000   18.421  8.4247  ?       ?       0.000000       8.424724  
1 1 1 -19 45  25 o 42.804  9.5616  1258.84    432.108  1258.84    432.108  0.0000     0.0000   42.804  9.5616  ?       ?       0.000000       9.561635  
1 1 1 -19 45  26 o 31.832  10.758  775.212    440.674  775.212    440.674  0.0000     0.0000   31.832  10.758  ?       ?       0.000000       10.75813  
1 1 1 -19 45  27 o 26.722  10.500  517.276    444.576  517.276    444.576  0.0000     0.0000   26.722  10.500  ?       ?       0.000000       10.49971  
1 1 1 -19 46  1  o 82.301  4.3161  3701.55    383.398  3959.40    570.379  3489.02    517.835  84.716  6.2606  79.545  6.0560  5.170609       8.710332  
1 1 1 -19 46  2  o 52.683  5.0854  1530.06    286.575  1986.87    443.933  1203.69    375.231  59.686  7.0000  46.073  7.7976  13.61372       10.47872  
1 1 1 -19 46  3  o 148.218 3.2726  11940.92   525.361  12499.25   603.933  10204.21   1065.14  151.570 3.6788  135.858 7.2649  15.71242       8.143227  
1 1 1 -19 46  4  o 55.413  2.2705  1665.85    136.269  1791.14    208.603  1572.59    179.977  57.298  3.3763  53.708  3.1072  3.589596       4.588434  
1 1 1 -19 46  5  o 53.072  2.2469  1528.08    129.156  1746.65    193.059  1351.00    173.770  56.603  3.1617  49.749  3.2427  6.854176       4.528917  
1 1 1 -19 46  6  o 127.254 2.9925  8798.68    412.449  8697.03    469.987  9139.27    860.274  126.451 3.4316  129.006 6.1568  -2.555542      7.048553  
1 1 1 -19 46  7  o 97.041  2.8203  5115.43    296.429  5099.54    335.084  5172.63    635.744  96.848  3.1944  96.857  6.0911  -0.8827209E-02 6.877960  
1 1 1 -19 46  8  o 35.967  3.8962  712.959    149.354  715.848    162.801  697.606    375.293  35.980  4.2604  34.708  9.6395  1.271290       10.53898  
1 1 1 -19 46  9  o 76.542  2.9584  3184.48    245.258  3478.70    359.633  2928.67    335.336  79.747  4.1782  73.139  4.2515  6.607796       5.960907  
1 1 1 -19 46  10 o 66.623  3.1827  2414.76    229.665  2559.39    262.305  1939.69    475.398  68.461  3.5496  58.617  7.6721  9.844017       8.453426  
1 1 1 -19 46  11 f 34.021  4.8862  646.568    174.881  634.413    197.965  689.761    373.177  33.529  5.6523  34.401  9.6329  -0.8721924     11.16877  
1 1 1 -19 46  12 o 37.738  1.8839  772.702    77.004   769.622    206.346  773.201    83.000   37.067  5.2897  37.689  2.0409  -0.6216850     5.669772  
1 1 1 -19 46  13 o 52.337  2.2358  1487.64    126.742  1379.61    244.674  1527.25    148.171  49.976  4.5708  53.005  2.5809  -3.028866      5.249152  
1 1 1 -19 46  14 o 81.716  2.7592  3633.25    244.208  3653.39    328.478  3608.37    365.150  81.789  3.7080  81.089  4.1717  0.6995850      5.581448  
1 1 1 -19 46  15 o 55.390  3.9636  1687.59    236.216  1300.91    280.330  2634.46    438.671  48.234  5.4622  68.681  5.9560  -20.44679      8.081394  
1 1 1 -19 46  16 o 31.184  6.1961  559.589    201.902  539.391    241.029  607.098    369.662  30.355  7.3985  32.095  9.7635  -1.740582      12.25004  
1 1 1 -19 46  17 o 33.351  5.3977  631.613    188.317  860.986    250.841  335.368    285.071  38.823  6.1720  25.003  8.6476  13.81985       10.62423  
1 1 1 -19 46  18 o 28.882  6.8226  489.223    210.027  592.519    258.166  287.054    361.172  31.626  7.6256  25.060  9.5659  6.566273       12.23340  
1 1 1 -19 46  19 o 34.075  6.1726  671.214    219.423  727.088    261.960  539.839    401.686  35.177  7.1198  30.394  10.271  4.783142       12.49757  
1 1 1 -19 46  20 o 55.250  2.5033  1665.23    149.799  1616.43    314.150  1679.58    170.422  53.441  5.5062  55.356  2.8521  -1.914906      6.201076  
1 1 1 -19 46  21 o 58.741  2.6639  1887.42    169.484  2043.09    312.008  1822.26    201.862  60.264  4.8205  57.489  3.2552  2.774097       5.816672  
1 1 1 -19 46  22 o 55.884  2.8987  1721.64    174.850  2286.01    374.835  1564.68    197.674  63.021  5.5480  53.070  3.4579  9.951023       6.537339  
1 1 1 -19 46  23 o 35.710  7.9040  807.108    297.627  928.099    395.305  648.762    452.230  37.057  9.7261  30.760  10.874  6.297323       14.58921  
1 1 1 -19 46  24 o 73.510  6.5675  3245.16    517.390  3245.16    517.390  0.0000     0.0000   73.510  6.5675  ?       ?       0.000000       6.567467  
1 1 1 -19 46  25 o 72.374  6.4755  3173.71    502.244  3173.71    502.244  0.0000     0.0000   72.374  6.4755  ?       ?       0.000000       6.475526  
1 1 1 -19 46  26 o 16.369  7.7964  -299.2912  380.996  -299.2912  380.996  0.0000     0.0000   16.369  7.7964  ?       ?       0.000000       7.796432  
1 1 1 -19 46  27 o 33.711  10.526  882.335    426.363  882.335    426.363  0.0000     0.0000   33.711  10.526  ?       ?       0.000000       10.52624  
1 1 1 -19 47  1  o 75.850  4.8170  3153.96    393.682  2825.41    538.740  3530.44    576.696  71.262  7.0733  79.825  6.7331  -8.562057      9.765571  
1 1 1 -19 47  2  o 108.803 4.5352  6458.12    534.452  6584.38    739.870  6320.34    772.869  109.326 6.2746  106.976 6.7042  2.350143       9.182431  
1 1 1 -19 47  3  o 79.228  2.8385  3409.17    243.576  3380.80    266.606  3552.41    599.088  78.874  3.1208  80.005  6.9836  -1.131866      7.649156  
1 1 1 -19 47  4  o 90.670  2.9058  4465.80    285.367  4647.62    323.193  3822.62    607.877  92.464  3.2272  83.049  6.8180  9.414642       7.543229  
1 1 1 -19 47  5  o 61.898  3.0095  2081.94    201.767  1926.74    225.277  2711.24    453.626  59.407  3.5168  70.030  6.0396  -10.62305      6.988906  
1 1 1 -19 47  6  o 41.175  3.3000  927.868    145.934  847.323    157.469  1418.00    388.447  39.273  3.7474  50.147  7.3718  -10.87399      8.269662  
1 1 1 -19 47  7  o 68.181  2.1913  2522.35    161.821  2108.57    225.651  2960.45    232.187  62.168  3.3637  73.812  2.9043  -11.64399      4.444052  
1 1 1 -19 47  8  o 146.811 3.2236  11722.86   512.592  11279.98   586.548  13154.41   1054.54  143.899 3.7634  154.583 6.2984  -10.68359      7.337070  
1 1 1 -19 47  9  o 125.960 3.5993  8641.08    491.040  8213.11    597.062  9535.58    863.184  122.607 4.4961  131.640 6.0540  -9.033134      7.540943  
1 1 1 -19 47  10 o 25.693  6.1521  378.113    168.935  307.476    191.847  621.985    356.467  23.416  7.0137  32.807  9.4913  -9.391209      11.80155  
1 1 1 -19 47  11 o 65.663  2.3733  2341.68    168.788  1966.76    263.428  2602.80    219.846  59.874  4.0866  69.175  2.9343  -9.301395      5.030879  
1 1 1 -19 47  12 o 21.180  6.8849  242.207    180.898  440.507    211.644  -295.4592  348.500  27.626  7.0499  16.873  7.8528  10.75244       10.55308  
1 1 1 -19 47  13 o 57.097  3.6141  1785.96    222.350  1836.82    257.570  1637.20    440.509  57.806  4.1414  53.531  7.8291  4.274986       8.856990  
1 1 1 -19 47  14 o 28.539  6.5458  470.374    198.027  446.580    236.199  526.668    363.302  27.758  7.6231  30.418  9.7443  -2.660059      12.37188  
1 1 1 -19 47  15 o 31.961  1.3566  553.910    46.962   303.796    224.049  565.404    48.028   23.506  7.6632  32.290  1.3733  -8.784100      7.785280  
1 1 1 -19 47  16 o 36.978  5.6740  775.379    219.995  673.805    268.125  984.635    384.843  33.917  7.4980  40.660  8.9785  -6.742977      11.69760  
1 1 1 -19 47  17 o 124.267 3.2950  8441.32    443.491  8288.64    518.562  8857.13    855.757  122.911 3.8953  125.759 6.2826  -2.847740      7.392209  
1 1 1 -19 47  18 o 76.739  3.3836  3224.54    281.234  3259.34    332.360  3136.79    527.732  76.884  4.0051  74.283  6.6289  2.600624       7.744856  
1 1 1 -19 47  19 o 22.952  0.9551  285.552    23.744   -133.5595  238.868  289.735    23.862   14.760  6.7345  23.119  0.9529  -8.359607      6.801547  
1 1 1 -19 47  20 o 51.420  4.4603  1476.90    245.946  1510.68    286.407  1382.04    479.960  51.739  5.1805  47.210  9.7106  4.529594       11.00606  
1 1 1 -19 47  21 o 45.931  5.1481  1201.32    251.701  1044.40    299.591  1577.89    464.090  42.032  6.8141  50.597  8.7873  -8.565350      11.11972  
1 1 1 -19 47  22 o 50.280  2.6159  1390.75    141.965  1652.60    358.254  1341.97    154.623  52.911  6.3801  49.297  2.9088  3.614548       7.011861  
1 1 1 -19 47  23 o 40.837  9.5830  1115.36    416.578  1115.36    416.578  0.0000     0.0000   40.837  9.5830  ?       ?       0.000000       9.583040  
1 1 1 -19 47  24 o 24.419  9.6839  332.058    381.444  332.058    381.444  0.0000     0.0000   24.419  9.6839  ?       ?       0.000000       9.683854  
1 1 1 -19 47  25 f 28.146  10.213  555.507    401.721  555.507    401.721  0.0000     0.0000   28.146  10.213  ?       ?       0.000000       10.21293  
1 1 1 -19 47  26 o 24.600  9.8899  375.826    403.352  375.826    403.352  0.0000     0.0000   24.600  9.8899  ?       ?       0.000000       9.889940  
1 1 1 -19 47  27 o 15.045  7.3206  -465.9128  381.093  -465.9128  381.093  0.0000     0.0000   15.045  7.3206  ?       ?       0.000000       7.320634  
1 1 1 -19 48  1  f 47.351  6.3798  1253.91    318.867  1251.05    429.989  1257.40    475.302  46.674  8.8292  46.558  9.7386  0.1161346      13.14516  
1 1 1 -19 48  2  o 45.124  6.6803  1144.04    316.626  1357.66    423.254  872.581    477.124  48.816  8.3024  38.720  10.910  10.09560       13.70967  
1 1 1 -19 48  3  o 157.847 3.2880  13548.14   562.135  13326.83   639.535  14300.04   1178.80  156.452 3.7741  161.120 6.7550  -4.667603      7.737774  
1 1 1 -19 48  4  o 76.908  2.8793  3213.33    239.842  3312.49    269.143  2830.81    528.592  78.058  3.1834  71.332  6.9292  6.726707       7.625483  
1 1 1 -19 48  5  o 91.546  2.8847  4553.37    286.030  4612.35    324.141  4345.88    607.989  92.097  3.2495  88.663  6.3737  3.434708       7.154268  
1 1 1 -19 48  6  o 165.940 3.5355  14987.02   635.433  15582.20   731.016  13147.06   1285.31  169.087 3.9916  153.792 7.7410  15.29527       8.709517  
1 1 1 -19 48  7  o 64.851  3.1898  2287.14    224.055  2491.03    254.643  1588.13    471.499  67.563  3.4917  52.752  8.5444  14.81047       9.230309  
1 1 1 -19 48  8  o 98.852  2.6346  5307.75    282.082  5110.78    337.921  5760.47    512.303  96.929  3.2188  102.667 4.6071  -5.737381      5.620123  
1 1 1 -19 48  9  o 49.805  4.3056  1364.56    229.977  1570.24    276.392  901.693    414.620  53.350  4.8357  39.207  9.7926  14.14300       10.92154  
1 1 1 -19 48  10 o 60.721  2.2875  2001.83    150.440  1777.74    238.084  2150.76    194.098  56.955  3.8826  62.895  2.8493  -5.939583      4.815948  
1 1 1 -19 48  11 o 26.802  6.2139  412.398    176.877  440.706    202.709  322.076    362.088  27.653  6.8124  26.221  9.6683  1.432201       11.82727  
1 1 1 -19 48  12 o 68.232  3.2367  2536.02    239.201  2570.11    274.939  2429.86    485.166  68.526  3.7182  65.777  6.9134  2.749611       7.849906  
1 1 1 -19 48  13 o 51.627  3.8115  1463.80    211.619  1399.81    244.623  1654.10    421.863  50.332  4.5360  53.923  7.4196  -3.591339      8.696349  
1 1 1 -19 48  14 o 80.845  3.2780  3564.76    287.030  3421.46    335.941  3952.23    552.396  79.082  3.9221  84.190  6.0992  -5.107773      7.251431  
1 1 1 -19 48  15 f 50.854  4.1528  1427.20    226.738  1070.84    268.382  2315.75    423.783  43.573  5.8332  64.236  6.1669  -20.66323      8.488650  
1 1 1 -19 48  16 o 79.152  3.3550  3423.82    287.626  3734.91    339.501  2632.69    541.397  82.566  3.7964  67.843  7.4929  14.72279       8.399796  
1 1 1 -19 48  17 o 99.616  3.2786  5425.91    353.740  5238.81    416.264  5912.21    671.099  97.679  3.9346  102.643 6.0634  -4.964767      7.228131  
1 1 1 -19 48  18 o 42.024  5.0934  993.953    227.101  839.479    276.965  1310.92    396.741  37.943  6.9972  47.177  8.0535  -9.233658      10.66860  
1 1 1 -19 48  19 o 43.470  1.8301  1027.06    86.167   629.429    269.527  1072.32    90.939   32.444  7.7723  44.412  1.8905  -11.96851      7.998887  
1 1 1 -19 48  20 o 53.994  4.5544  1631.26    263.862  1641.47    313.675  1606.54    487.975  53.793  5.4593  51.256  9.1243  2.537189       10.63282  
1 1 1 -19 48  21 o 48.836  4.9049  1353.58    255.933  1235.58    304.156  1639.73    473.656  45.984  6.2703  51.409  8.8244  -5.424801      10.82528  
1 1 1 -19 48  22 o 29.133  8.3140  541.389    275.265  229.420    354.738  1013.51    436.393  22.797  9.2360  38.597  10.262  -15.80066      13.80614  
1 1 1 -19 48  23 o 38.630  9.5595  1003.15    397.801  1003.15    397.801  0.0000     0.0000   38.630  9.5595  ?       ?       0.000000       9.559472  
1 1 1 -19 48  24 o 20.516  8.9483  80.147     374.444  80.147     374.444  0.0000     0.0000   20.516  8.9483  ?       ?       0.000000       8.948264  
1 1 1 -19 48  25 o 28.935  10.094  597.430    388.834  597.430    388.834  0.0000     0.0000   28.935  10.094  ?       ?       0.000000       10.09428  
1 1 1 -19 48  26 o 68.129  6.6139  2872.73    481.894  2872.73    481.894  0.0000     0.0000   68.129  6.6139  ?       ?       0.000000       6.613875  
1 1 1 -19 48  27 o 28.156  10.213  592.869    401.720  592.869    401.720  0.0000     0.0000   28.156  10.213  ?       ?       0.000000       10.21349  
1 1 1 -19 49  1  o 95.413  3.9302  4959.97    406.154  4785.13    507.366  5271.90    677.701  93.405  5.0337  97.670  6.4424  -4.265808      8.175784  
1 1 1 -19 49  2  o 135.889 4.8375  10091.77   711.988  9813.25    1025.76  10350.72   989.047  133.112 7.1408  137.066 6.6622  -3.953598      9.766061  
1 1 1 -19 49  3  o 44.088  3.0837  1061.67    146.326  1040.11    153.436  1278.19    486.305  43.612  3.2721  46.877  9.8891  -3.265186      10.41639  
1 1 1 -19 49  4  o 61.376  2.9507  2047.06    196.149  2100.82    217.242  1809.88    456.328  62.071  3.2426  56.688  7.6256  5.382389       8.286386  
1 1 1 -19 49  5  o 30.509  4.5312  519.049    145.182  574.343    158.214  224.259    365.309  32.096  4.6896  24.591  9.5587  7.504444       10.64717  
1 1 1 -19 49  6  o 30.924  2.0584  521.075    68.550   768.927    185.795  482.018    73.754   37.222  4.7141  29.712  2.3100  7.510374       5.249673  
1 1 1 -19 49  7  o 53.059  3.4700  1538.90    198.314  1472.49    223.903  1780.63    427.184  51.812  4.0214  56.303  7.1677  -4.490498      8.218692  
1 1 1 -19 49  8  o 93.664  3.0058  4770.38    304.935  4841.26    349.142  4542.47    626.105  94.301  3.4183  90.530  6.4271  3.770744       7.279592  
1 1 1 -19 49  9  o 30.310  6.3297  525.184    201.090  337.810    239.566  972.072    369.974  24.796  7.9096  40.933  8.6174  -16.13714      11.69708  
1 1 1 -19 49  10 o 100.197 3.0236  5462.43    328.134  5725.92    375.764  4616.23    673.400  102.525 3.3839  90.983  6.8844  11.54124       7.671112  
1 1 1 -19 49  11 o 107.618 3.0960  6304.65    360.874  6164.31    415.894  6732.28    725.989  106.314 3.6118  110.228 6.1047  -3.913986      7.093151  
1 1 1 -19 49  12 o 62.015  3.4602  2103.59    231.489  2185.48    267.750  1861.17    460.664  63.125  3.9358  57.218  7.6229  5.906097       8.578960  
1 1 1 -19 49  13 o 41.399  4.4597  950.149    196.814  782.199    226.476  1468.31    397.798  37.199  5.8112  50.710  7.4661  -13.51146      9.461142  
1 1 1 -19 49  14 o 98.704  3.1059  5311.11    332.039  5275.39    385.904  5412.94    651.578  98.254  3.6263  98.531  6.1360  -0.2771072     7.127429  
1 1 1 -19 49  15 o 72.667  3.4004  2884.89    267.629  2769.40    313.381  3196.07    514.412  70.945  4.0957  75.427  6.3560  -4.481964      7.561289  
1 1 1 -19 49  16 o 53.836  2.3686  1576.91    138.112  1419.39    274.130  1630.49    159.888  50.415  5.0900  54.705  2.6985  -4.290112      5.761062  
1 1 1 -19 49  17 o 39.968  5.2649  901.284    222.367  849.018    268.358  1015.79    397.217  38.309  6.7123  41.036  9.1680  -2.727428      11.36254  
1 1 1 -19 49  18 o 19.081  1.3656  198.536    28.034   117.136    241.758  199.646    28.225   19.109  7.6658  19.134  1.3711  -0.2421570E-01 7.787396  
1 1 1 -19 49  19 o 24.959  7.3588  365.876    212.485  502.920    262.650  106.275    361.493  28.951  8.0725  21.805  9.1264  7.146017       12.18423  
1 1 1 -19 49  20 o 60.870  4.1121  2061.29    269.514  2220.28    321.654  1686.62    493.773  62.908  4.7559  52.475  9.0123  10.43231       10.19022  
1 1 1 -19 49  21 o 45.437  5.0324  1179.03    243.504  1225.22    285.132  1054.58    468.035  45.917  5.8674  39.649  10.666  6.268227       12.17302  
1 1 1 -19 49  22 o 51.157  5.7524  1529.63    313.207  1719.04    410.983  1267.22    483.740  53.108  7.3412  43.010  10.480  10.09824       12.79573  
1 1 1 -19 49  23 o 22.109  9.1069  204.311    351.947  204.311    351.947  0.0000     0.0000   22.109  9.1069  ?       ?       0.000000       9.106875  
1 1 1 -19 49  24 o 62.032  7.0008  2360.84    462.140  2360.84    462.140  0.0000     0.0000   62.032  7.0008  ?       ?       0.000000       7.000847  
1 1 1 -19 49  25 o 20.484  8.9930  89.163     383.733  89.163     383.733  0.0000     0.0000   20.484  8.9930  ?       ?       0.000000       8.993015  
1 1 1 -19 49  26 o 36.641  10.313  1010.64    426.605  1010.64    426.605  0.0000     0.0000   36.641  10.313  ?       ?       0.000000       10.31331  
1 1 1 -19 50  1  o 35.858  1.8775  699.240    72.667   701.770    73.645   605.873    447.302  35.922  1.8996  33.107  10.829  2.814274       10.99479  
1 1 1 -19 50  2  o 94.577  3.9203  4874.16    401.585  4614.03    496.877  5364.14    681.941  91.705  5.0216  98.507  6.4268  -6.802269      8.155961  
1 1 1 -19 50  3  o 245.206 5.3451  32937.99   1419.56  31290.54   1811.01  35563.19   2286.11  238.007 7.0252  252.716 8.3521  -14.70850      10.91383  
1 1 1 -19 50  4  o 158.183 3.5305  13619.72   604.869  13670.01   699.327  13470.35   1205.18  158.341 4.0777  156.101 7.1281  2.240067       8.212071  
1 1 1 -19 50  5  o 143.316 3.3668  11175.72   522.621  11538.55   603.765  10091.47   1043.71  145.523 3.8306  134.891 7.1695  10.63174       8.128701  
1 1 1 -19 50  6  o 103.357 2.8409  5805.35    318.028  5651.15    358.459  6375.57    689.319  101.921 3.2472  107.532 5.9416  -5.610519      6.770985  
1 1 1 -19 50  7  o 58.948  2.2827  1886.19    145.741  1765.10    229.530  1967.99    188.650  56.790  3.7528  60.170  2.8947  -3.379749      4.739510  
1 1 1 -19 50  8  o 12.706  5.6352  -51.7478   154.353  13.786     173.838  -295.9115  335.545  14.885  6.2847  16.493  7.6856  -1.607332      9.928036  
1 1 1 -19 50  9  o 102.836 3.3536  5759.41    373.531  6098.53    485.684  5268.41    584.419  105.641 4.2447  97.730  5.5440  7.911461       6.982349  
1 1 1 -19 50  10 o 102.267 3.0986  5692.72    343.222  5892.97    395.888  5086.70    688.696  103.975 3.5154  95.570  6.6956  8.405403       7.562343  
1 1 1 -19 50  11 o 67.171  3.3059  2458.40    240.514  2189.73    277.657  3265.91    481.366  63.167  4.0801  76.722  5.8366  -13.55449      7.121303  
1 1 1 -19 50  12 o 41.691  4.4507  962.858    197.871  895.081    228.404  1166.75    396.149  39.961  5.4167  44.808  8.4732  -4.846626      10.05661  
1 1 1 -19 50  13 o 98.377  3.0932  5273.87    329.591  5380.60    381.590  4960.34    654.013  99.270  3.5490  94.232  6.4466  5.037178       7.358976  
1 1 1 -19 50  14 o 95.779  3.2179  5004.62    333.819  5189.96    390.429  4500.86    643.672  97.422  3.7001  89.525  6.6864  7.896317       7.641948  
1 1 1 -19 50  15 o 45.850  4.5509  1167.76    223.014  1168.82    265.587  1165.24    410.671  45.616  5.4854  44.365  8.8567  1.251850       10.41780  
1 1 1 -19 50  16 o 79.760  2.9211  3470.50    252.352  3546.43    353.122  3391.25    360.759  80.253  4.0759  78.411  4.2639  1.841316       5.898603  
1 1 1 -19 50  17 o 27.587  6.8432  446.685    203.483  516.668    243.645  285.323    369.967  29.541  7.5779  25.166  9.6638  4.374914       12.28062  
1 1 1 -19 50  18 o 25.848  1.2454  362.405    34.866   156.793    244.973  366.656    35.224   20.022  7.8151  25.999  1.2509  -5.977160      7.914592  
1 1 1 -19 50  19 o 27.721  7.0368  456.947    211.649  496.550    258.487  376.384    368.676  28.733  8.0071  26.582  9.7627  2.150194       12.62632  
1 1 1 -19 50  20 o 28.534  7.0549  490.203    216.802  492.689    266.487  485.335    372.840  28.375  8.2056  28.474  9.8873  -0.9901810E-01 12.84872  
1 1 1 -19 50  21 o 33.561  7.0610  685.555    248.538  651.097    298.198  763.951    449.790  32.035  8.4664  33.610  10.850  -1.574574      13.76261  
1 1 1 -19 50  22 f 77.990  5.6527  3529.69    474.253  3529.69    474.253  0.0000     0.0000   77.990  5.6527  ?       ?       0.000000       5.652723  
1 1 1 -19 50  23 o 33.857  7.7878  729.541    279.634  461.152    388.768  1017.24    402.513  26.944  10.002  38.712  9.6373  -11.76863      13.88921  
1 1 1 -19 50  24 o 32.043  8.0422  671.515    278.677  790.202    381.266  535.371    408.344  33.455  9.8555  27.983  10.275  5.472551       14.23739  
1 1 1 -19 50  25 o 18.561  7.8090  113.540    266.869  -170.8503  372.149  414.602    382.901  17.355  8.0895  25.329  9.8027  -7.974054      12.70956  
1 1 1 -19 50  26 o 13.706  2.1193  105.464    30.446   105.021    30.539   177.587    389.671  13.674  2.1315  21.492  9.2514  -7.818303      9.493744  
1 1 1 -19 51  1  o 145.085 5.0899  11523.49   799.834  11610.17   1188.33  11451.70   1081.48  144.482 7.6206  143.971 6.9354  0.5117493      10.30408  
1 1 1 -19 51  2  o 203.451 5.7238  22723.26   1261.30  22630.69   1776.25  22817.40   1791.33  201.653 8.1326  202.459 8.1690  -0.8057556     11.52698  
1 1 1 -19 51  3  o 115.593 3.0952  7265.16    387.520  6494.63    453.056  9365.62    748.023  109.175 3.8314  130.743 5.2823  -21.56812      6.525561  
1 1 1 -19 51  4  o 65.893  2.0271  2355.50    144.673  1836.55    210.728  2818.19    198.975  57.998  3.3691  72.038  2.5501  -14.04038      4.225408  
1 1 1 -19 51  5  o 76.081  2.8719  3145.97    236.659  3153.37    265.048  3116.87    525.584  76.136  3.2141  74.898  6.5447  1.238281       7.291312  
1 1 1 -19 51  6  o 44.019  3.7257  1063.32    175.965  1004.36    196.276  1304.79    397.208  42.676  4.3051  47.827  7.9468  -5.150555      9.038021  
1 1 1 -19 51  7  o 15.821  6.1587  86.710     151.821  85.492     169.564  91.635     340.914  16.408  6.4725  21.669  8.9482  -5.260471      11.04369  
1 1 1 -19 51  8  o 54.870  3.4767  1646.67    205.548  1566.83    233.219  1924.49    435.065  53.420  4.0612  58.520  7.0032  -5.099743      8.095528  
1 1 1 -19 51  9  o 89.785  3.5895  4394.91    349.069  4645.96    429.437  3906.00    599.288  92.180  4.3012  83.718  6.6644  8.462135       7.931875  
1 1 1 -19 51  10 o 153.468 3.4194  12836.01   568.385  12874.45   655.578  12719.65   1140.62  153.538 3.9422  151.276 6.9615  2.262436       8.000177  
1 1 1 -19 51  11 o 44.409  4.2094  1088.32    200.052  1013.88    230.090  1318.91    404.946  42.664  5.0791  47.863  8.1003  -5.199345      9.560964  
1 1 1 -19 51  12 o 34.625  1.5364  650.212    57.618   456.753    213.107  665.469    59.847   28.075  7.0252  35.027  1.5775  -6.952177      7.200163  
1 1 1 -19 51  13 o 41.412  1.8620  930.945    83.519   715.458    242.177  960.033    88.977   35.309  6.5744  42.050  1.9537  -6.740280      6.858537  
1 1 1 -19 51  14 f 112.832 3.1733  6946.22    387.799  6753.76    449.642  7505.07    766.219  111.098 3.7367  115.966 6.1220  -4.868134      7.172302  
1 1 1 -19 51  15 o 56.279  3.8112  1743.09    230.949  1725.42    269.720  1791.65    447.094  55.818  4.4996  55.793  7.5960  0.2466583E-01  8.828698  
1 1 1 -19 51  16 o 58.296  3.8510  1872.57    241.783  1788.61    285.358  2086.25    455.234  56.733  4.6858  60.366  7.0981  -3.632790      8.505322  
1 1 1 -19 51  17 o 41.127  5.0161  951.059    218.815  1044.98    261.603  732.299    399.253  42.893  5.7781  34.614  10.054  8.278343       11.59572  
1 1 1 -19 51  18 o 43.745  4.8693  1074.56    226.797  1177.61    273.547  847.955    405.641  45.544  5.6680  37.003  9.9190  8.541042       11.42421  
1 1 1 -19 51  19 o 62.530  3.8929  2165.47    262.348  2253.73    315.666  1968.34    471.738  63.513  4.6204  57.771  7.7331  5.741596       9.008266  
1 1 1 -19 51  20 o 52.867  4.4122  1569.42    250.335  1745.78    305.200  1206.79    437.629  55.435  5.1417  43.570  9.5381  11.86464       10.83572  
1 1 1 -19 51  21 o 39.298  6.6443  926.489    272.727  984.978    352.273  838.986    430.879  39.399  8.5044  35.075  10.512  4.323582       13.52149  
1 1 1 -19 51  22 o 40.493  6.7065  991.351    283.840  937.630    390.695  1051.40    413.058  37.408  9.5960  39.588  9.7076  -2.180035      13.64997  
1 1 1 -19 51  23 o 25.326  8.3279  407.874    264.390  231.546    362.792  607.590    386.103  22.612  9.2720  29.766  10.070  -7.154343      13.68850  
1 1 1 -19 51  24 o 17.704  7.6918  42.662     274.426  -94.1901   404.531  159.333    373.515  18.977  8.6983  21.420  9.1345  -2.442488      12.61346  
1 1 1 -19 51  25 o 22.874  8.9142  307.620    318.335  -4.1545    428.574  691.332    475.454  20.121  9.1183  30.090  11.081  -9.968676      14.35054  
1 1 1 -19 51  26 o 20.522  8.5772  182.581    318.668  177.841    428.533  188.444    476.621  22.015  9.5880  22.733  10.0000 -0.7185879     13.85417  
1 1 1 -19 52  1  o 126.460 4.6266  8742.25    633.700  8496.71    890.058  8994.68    902.445  123.886 6.6576  127.516 6.5563  -3.629936      9.343924  
1 1 1 -19 52  2  o 138.212 4.7546  10447.56   711.750  10622.39   994.545  10264.01   1019.04  138.726 6.6191  136.075 6.9372  2.650848       9.588358  
1 1 1 -19 52  3  o 108.541 4.5459  6438.23    534.422  6281.99    736.134  6612.34    777.104  106.562 6.4078  109.269 6.5971  -2.706863      9.196835  
1 1 1 -19 52  4  o 13.444  5.1698  66.128     105.974  67.241     109.290  48.621     433.479  13.619  5.2466  23.396  9.9035  -9.777006      11.20743  
1 1 1 -19 52  5  f 46.938  3.3246  1205.08    167.923  1176.44    184.490  1343.38    405.450  46.318  3.7086  48.521  7.9934  -2.203423      8.811853  
1 1 1 -19 52  6  o 63.262  2.5138  2173.77    172.245  2455.67    243.467  1891.30    243.715  67.162  3.3469  58.768  3.8502  8.393688       5.101540  
1 1 1 -19 52  7  o 88.102  2.9495  4221.54    281.455  4064.57    320.462  4751.16    588.631  86.384  3.4251  92.695  5.8935  -6.311691      6.816550  
1 1 1 -19 52  8  o 76.084  2.6795  3146.51    220.810  3525.32    292.569  2645.14    336.582  80.449  3.3576  69.386  4.5030  11.06377       5.617035  
1 1 1 -19 52  9  o 115.192 3.6341  7236.65    453.403  7117.72    556.055  7472.58    783.204  114.028 4.5023  116.103 6.2512  -2.075142      7.703785  
1 1 1 -19 52  10 o 79.255  3.2020  3421.32    274.863  3226.41    317.769  4000.44    547.742  76.872  3.8166  84.894  5.9956  -8.022263      7.107278  
1 1 1 -19 52  11 o 44.077  2.1834  1055.10    104.234  1065.31    231.845  1052.52    116.692  43.760  4.9803  43.938  2.4620  -0.1775169     5.555612  
1 1 1 -19 52  12 o 80.873  3.3453  3567.68    293.027  3386.73    343.781  4048.40    560.338  78.561  4.0540  85.232  6.1104  -6.670372      7.332962  
1 1 1 -19 52  13 o 52.046  4.1436  1493.69    231.648  1475.87    275.774  1536.38    426.922  51.522  5.0050  51.636  7.8835  -0.1131477     9.338071  
1 1 1 -19 52  14 o 35.447  1.6179  681.825    62.115   508.388    236.788  694.642    64.369   29.462  7.4235  35.777  1.6611  -6.314713      7.607135  
1 1 1 -19 52  15 f 17.395  6.8673  102.534    191.020  86.581     227.493  140.670    351.727  18.153  7.3813  22.408  9.1521  -4.254538      11.75775  
1 1 1 -19 52  16 o 14.161  6.3376  -74.8658   199.868  -108.9754  245.328  -7.5398    344.668  15.378  6.9401  19.907  8.6343  -4.528663      11.07775  
1 1 1 -19 52  17 o 25.944  7.3455  394.792    215.748  377.897    266.026  427.258    368.774  25.731  8.3484  27.868  9.8232  -2.137691      12.89149  
1 1 1 -19 52  18 o 58.527  4.0418  1897.46    254.639  1829.27    306.002  2051.02    459.177  57.125  4.9960  59.434  7.2856  -2.309563      8.833975  
1 1 1 -19 52  19 f 55.589  4.2262  1722.45    252.549  1582.92    303.032  2039.73    456.969  52.817  5.3720  58.954  7.3136  -6.137157      9.074508  
1 1 1 -19 52  20 o 49.950  3.9100  1393.46    209.846  1657.90    300.344  1141.24    293.315  53.903  5.2093  44.100  6.3216  9.802834       8.191423  
1 1 1 -19 52  21 o 49.006  4.3048  1358.04    226.177  1264.41    349.743  1425.34    296.529  45.527  7.3424  49.495  5.6317  -3.967777      9.253487  
1 1 1 -19 52  22 o 44.119  6.5046  1168.19    301.504  1395.79    382.084  792.568    490.841  47.419  7.7038  33.312  11.354  14.10663       13.72045  
1 1 1 -19 52  23 o 15.030  6.9306  -134.8182  262.166  -177.4229  385.418  -98.1305   357.654  17.909  8.3089  18.063  8.2414  -0.1545429     11.70287  
1 1 1 -19 52  24 o 16.543  7.3962  -29.4980   271.473  -374.9917  403.120  257.211    367.227  16.478  7.8949  22.751  9.3288  -6.273510      12.22111  
1 1 1 -19 52  25 o 19.053  8.0493  123.843    285.458  214.468    419.465  45.669     389.587  22.482  9.6361  19.929  8.8888  2.552702       13.10975  
1 1 1 -19 52  26 o 43.818  7.1658  1222.14    328.326  1149.84    481.628  1284.91    448.759  38.392  11.011  42.023  10.004  -3.631191      14.87656  
1 1 1 -19 53  1  o 120.994 4.5444  8003.44    595.543  8034.26    824.118  7969.75    861.582  120.535 6.3348  119.919 6.6596  0.6162186      9.191303  
1 1 1 -19 53  2  o 112.924 4.5545  6971.45    557.055  6597.02    773.427  7375.05    802.993  109.108 6.5755  115.432 6.4484  -6.324463      9.209744  
1 1 1 -19 53  3  o 118.437 4.6027  7670.74    590.439  7917.07    817.954  7402.74    853.174  119.650 6.3343  115.483 6.8516  4.166634       9.331012  
1 1 1 -19 53  4  o 128.874 3.0656  9033.86    427.901  8768.24    482.665  10009.13   924.880  126.878 3.5123  134.689 6.3399  -7.811180      7.247780  
1 1 1 -19 53  5  o 20.401  5.7527  235.159    132.605  257.315    143.301  103.146    349.796  21.314  5.9697  22.076  9.0845  -0.7622566     10.87036  
1 1 1 -19 53  6  o 78.489  2.9791  3350.90    253.257  3413.69    286.742  3128.18    540.040  79.176  3.3437  74.884  6.7302  4.291542       7.515082  
1 1 1 -19 53  7  o 34.303  2.1805  641.367    80.595   938.964    196.792  581.393    88.344   41.192  4.4832  32.616  2.5204  8.576385       5.143115  
1 1 1 -19 53  8  o 125.420 3.1263  8562.73    424.686  8250.85    487.610  9542.60    864.305  122.998 3.6602  131.470 6.0697  -8.472343      7.087921  
1 1 1 -19 53  9  o 104.644 3.6216  5973.12    410.469  6070.26    504.341  5782.52    706.433  105.305 4.4218  101.987 6.4281  3.318504       7.802148  
1 1 1 -19 53  10 o 61.354  2.6071  2046.66    173.247  2332.05    275.223  1859.36    222.964  65.217  3.9144  58.276  3.5494  6.941322       5.284001  
1 1 1 -19 53  11 o 101.061 3.2441  5567.58    355.100  5538.42    414.143  5648.56    690.057  100.674 3.7981  100.674 6.3612  0.3051758E-04  7.408760  
1 1 1 -19 53  12 o 79.858  3.2855  3478.82    284.180  3414.01    331.405  3658.89    552.361  79.000  3.8731  80.872  6.3572  -1.872520      7.444176  
1 1 1 -19 53  13 o 48.943  4.1973  1323.32    220.349  1306.57    258.285  1368.11    422.362  48.434  4.9953  48.448  8.3504  -0.1475906E-01 9.730472  
1 1 1 -19 53  14 o 34.917  5.9295  695.821    216.227  873.798    261.626  312.251    384.080  39.079  6.4029  26.085  9.8867  12.99383       11.77895  
1 1 1 -19 53  15 o 30.533  1.7184  507.744    56.596   522.664    243.367  506.891    58.191   29.778  7.5385  30.502  1.7690  -0.7235508     7.743251  
1 1 1 -19 53  16 o 64.358  3.8118  2281.33    264.525  2425.04    317.286  1953.75    479.039  66.163  4.4535  57.990  7.8269  8.173119       9.005223  
1 1 1 -19 53  17 o 71.485  2.8791  2790.71    222.913  2762.21    347.662  2810.60    290.480  70.532  4.5757  71.431  3.7679  -0.8998108     5.927366  
1 1 1 -19 53  18 f 15.851  6.8519  -5.0223    215.582  -44.3240   272.549  60.665     352.354  17.113  7.5437  20.873  8.8859  -3.760147      11.65620  
1 1 1 -19 53  19 o 72.928  3.3267  2926.23    262.774  2910.25    367.236  2942.99    376.161  72.010  4.7349  72.366  4.8269  -0.3559494     6.761480  
1 1 1 -19 53  20 o 60.481  3.6742  2035.62    239.543  2273.24    337.256  1793.70    340.294  63.242  4.9635  55.703  5.7216  7.538765       7.574466  
1 1 1 -19 53  21 o 51.534  6.8582  1594.44    373.297  1944.97    596.529  1368.81    478.586  53.600  10.651  45.273  10.025  8.327621       14.62634  
1 1 1 -19 53  22 o 25.300  8.8184  397.630    296.718  283.861    477.542  469.173    378.689  25.059  10.489  27.178  9.9075  -2.118649      14.42830  
1 1 1 -19 53  23 o 19.070  8.1166  93.622     293.877  270.457    478.026  -13.8182   372.608  24.542  10.395  19.317  8.6488  5.224676       13.52248  
1 1 1 -19 53  24 o 28.695  9.6020  575.237    351.013  5.3843     514.027  1073.14    480.484  21.783  9.9157  37.616  11.059  -15.83358      14.85322  
1 1 1 -19 53  25 o 20.472  8.7127  153.658    338.564  547.824    481.712  -231.1246  475.943  27.654  10.909  18.903  8.9176  8.751059       14.09021  
1 1 1 -19 54  1  o 42.793  2.2657  996.950    104.639  992.798    107.452  1073.17    460.355  42.697  2.3324  42.664  10.116  0.3303146E-01  10.38143  
1 1 1 -19 54  2  o 141.347 4.8015  10940.34   735.084  11693.91   1029.00  10155.02   1050.46  145.453 6.5317  135.073 7.2063  10.38072       9.725933  
1 1 1 -19 54  3  o 44.354  6.7856  1112.45    315.617  1156.61    419.098  1054.59    479.719  44.619  8.9829  42.207  10.529  2.412289       13.83997  
1 1 1 -19 54  4  o 116.747 2.9203  7412.32    369.272  7105.33    413.872  8610.84    817.758  114.229 3.3452  124.978 6.0412  -10.74854      6.905493  
1 1 1 -19 54  5  o 114.905 2.9854  7182.18    371.541  7519.17    427.900  6149.69    748.988  117.499 3.3623  105.223 6.6055  12.27673       7.411981  
1 1 1 -19 54  6  o 57.359  3.1927  1796.51    197.560  1889.45    220.829  1423.88    442.154  58.783  3.4840  49.738  8.5138  9.045940       9.199047  
1 1 1 -19 54  7  o 118.843 3.0626  7686.49    394.221  7786.69    450.713  7360.28    813.274  119.530 3.4814  115.115 6.5499  4.414551       7.417609  
1 1 1 -19 54  8  o 28.061  5.8902  450.159    173.318  481.072    196.188  340.276    369.887  28.934  6.4273  26.689  9.7822  2.245279       11.70480  
1 1 1 -19 54  9  o 46.643  1.4406  1179.60    72.781   113.954    283.295  1254.91    75.308   20.441  8.2636  48.109  1.4453  -27.66757      8.388996  
1 1 1 -19 54  10 o 33.410  5.5019  630.893    192.160  630.139    222.345  633.119    381.967  33.168  6.4214  32.943  9.9031  0.2245064      11.80279  
1 1 1 -19 54  11 o 103.529 3.2199  5843.76    361.061  6189.40    422.034  4900.08    697.348  106.442 3.6607  93.432  6.9406  13.01042       7.846842  
1 1 1 -19 54  12 o 50.171  4.2217  1389.61    227.275  1583.08    269.241  910.005    423.910  53.457  4.6978  38.923  10.002  14.53433       11.04989  
1 1 1 -19 54  13 o 81.651  3.3487  3641.25    296.145  3733.01    347.884  3399.75    564.385  82.552  3.8908  77.624  6.7810  4.928055       7.817918  
1 1 1 -19 54  14 o 93.880  3.3015  4815.65    335.702  4715.65    395.039  5075.58    636.866  92.728  3.9333  95.132  6.2151  -2.403198      7.355139  
1 1 1 -19 54  15 o 65.126  2.7735  2312.84    195.637  2451.71    325.613  2234.39    244.736  66.522  4.5465  63.775  3.5572  2.746964       5.772697  
1 1 1 -19 54  16 o 63.629  3.8726  2231.73    265.618  2244.47    318.769  2202.81    480.428  63.562  4.6628  61.859  7.3120  1.703560       8.672215  
1 1 1 -19 54  17 o 31.465  6.8253  582.304    225.910  526.949    279.678  686.226    383.208  29.642  8.3531  33.439  9.8890  -3.796967      12.94480  
1 1 1 -19 54  18 o 36.143  6.5634  764.877    247.470  1012.46    317.628  382.442    394.767  41.357  7.3607  26.939  10.063  14.41739       12.46769  
1 1 1 -19 54  19 o 55.895  3.9378  1740.44    236.872  1601.76    340.961  1869.80    329.318  52.604  6.0974  57.278  5.3711  -4.673985      8.125727  
1 1 1 -19 54  20 o 5.7271  2.4603  -1.7920    27.455   456.219    433.974  -3.6325    27.510   27.722  10.509  5.6410  2.4430  22.08061       10.78891  
1 1 1 -19 54  21 o 47.807  7.0352  1383.59    353.388  1508.79    465.050  1212.52    543.633  48.229  9.2390  40.965  11.682  7.264088       14.89363  
1 1 1 -19 54  22 o 18.158  7.8529  44.142     283.440  -333.2201  409.098  392.516    393.071  17.191  8.1567  25.757  9.9422  -8.565815      12.85997  
1 1 1 -19 54  23 o 31.141  8.8345  652.807    311.763  579.971    448.684  720.798    433.505  28.896  10.741  31.560  10.670  -2.663712      15.14018  
1 1 1 -19 54  24 o 31.442  8.9777  681.490    320.881  482.654    464.258  863.359    444.007  26.933  10.683  33.856  10.765  -6.923363      15.16568  
1 1 1 -19 54  25 o 44.811  7.4582  1285.14    349.256  973.777    503.131  1574.71    485.201  34.830  11.490  47.160  9.8181  -12.33029      15.11336  
1 1 1 -19 55  1  o 68.832  3.2144  2579.22    239.642  2567.06    267.029  2629.54    543.239  68.530  3.6103  68.357  7.4584  0.1734009      8.286243  
1 1 1 -19 55  2  o 58.503  5.5596  1898.46    348.047  2146.99    472.234  1602.92    514.962  61.781  7.1918  52.555  9.3914  9.226097       11.82876  
1 1 1 -19 55  3  o 39.495  2.2500  849.653    95.851   1024.97    408.188  839.421    98.609   41.853  9.2507  39.248  2.3301  2.604763       9.539695  
1 1 1 -19 55  4  o 68.462  2.8464  2548.78    211.064  2516.06    228.316  2741.07    553.483  67.996  3.1002  69.808  7.4347  -1.812553      8.055179  
1 1 1 -19 55  5  o 76.988  2.8777  3223.54    239.960  3282.50    269.379  2996.97    528.065  77.649  3.2030  73.252  6.7310  4.396545       7.454257  
1 1 1 -19 55  6  o 84.058  2.6490  3840.63    241.178  3829.03    301.911  3861.10    400.932  83.842  3.3246  83.892  4.4282  -0.4943848E-01 5.537316  
1 1 1 -19 55  7  o 70.952  3.0660  2740.26    235.617  2923.39    266.509  2084.86    504.184  73.247  3.3593  60.579  7.8701  12.66838       8.557053  
1 1 1 -19 55  8  o 120.232 3.1311  7872.03    407.749  7781.37    470.669  8144.73    816.325  119.422 3.6388  121.155 6.2421  -1.732712      7.225310  
1 1 1 -19 55  9  o 167.002 4.1398  15258.60   748.815  15462.25   917.266  14851.71   1296.54  167.697 5.0501  162.992 7.3443  4.705032       8.913010  
1 1 1 -19 55  10 o 34.856  5.2711  683.769    192.786  978.992    222.928  -191.8885  383.934  41.901  5.0116  18.966  8.6088  22.93451       9.961308  
1 1 1 -19 55  11 o 18.201  6.9666  131.329    191.885  132.139    227.022  129.302    359.060  19.205  7.5159  22.544  9.2319  -3.338634      11.90446  
1 1 1 -19 55  12 o 48.266  4.5736  1291.84    236.238  1132.65    283.388  1654.46    427.705  44.782  5.9930  53.699  7.5633  -8.917049      9.649851  
1 1 1 -19 55  13 o 72.959  3.4589  2909.69    273.326  2847.82    321.405  3071.34    519.508  71.919  4.1436  73.810  6.5670  -1.890411      7.764990  
1 1 1 -19 55  14 f 29.846  6.3575  516.570    199.218  604.862    234.333  286.403    378.350  32.199  6.9249  25.442  9.7719  6.757175       11.97686  
1 1 1 -19 55  15 o 37.878  5.3932  812.220    215.009  953.569    256.015  473.910    396.074  40.919  5.9509  29.179  10.187  11.74031       11.79810  
1 1 1 -19 55  16 o 22.299  7.3472  275.398    205.750  335.951    248.111  142.066    368.168  24.463  8.0685  22.657  9.3212  1.806229       12.32830  
1 1 1 -19 55  17 o 31.416  6.7245  580.747    221.902  526.354    271.938  689.138    383.881  29.582  8.2018  33.414  9.9016  -3.832317      12.85734  
1 1 1 -19 55  18 o 93.684  3.1136  4815.07    315.930  4711.59    439.513  4925.71    454.447  92.078  4.4070  94.119  4.4579  -2.041161      6.268572  
1 1 1 -19 55  19 o 16.390  2.0998  148.892    36.419   494.349    302.510  143.812    36.686   28.194  8.8768  16.093  2.1591  12.10102       9.135592  
1 1 1 -19 55  20 o 22.368  1.5516  273.504    37.356   333.425    360.126  272.852    37.559   24.777  9.5297  22.339  1.5621  2.438017       9.656864  
1 1 1 -19 55  21 o 18.528  7.9185  63.074     281.802  -95.4271   392.898  230.997    404.407  19.137  8.6948  23.502  9.7288  -4.365374      13.04802  
1 1 1 -19 55  22 o 32.007  8.6079  673.406    304.902  781.512    438.037  571.798    424.667  33.140  10.709  29.096  10.509  4.044901       15.00389  
1 1 1 -19 55  23 o 45.343  2.6539  1137.49    129.770  1102.03    133.624  1725.86    544.275  44.582  2.7812  49.354  10.504  -4.771397      10.86629  
1 1 1 -19 55  24 o 27.900  9.4911  542.940    343.007  511.557    454.513  584.461    522.794  27.267  10.644  28.494  11.325  -1.227222      15.54245  
1 1 1 -19 55  25 o 45.801  2.4073  1158.74    119.000  1160.85    121.756  1113.64    562.494  45.822  2.4623  36.439  12.155  9.382862       12.40189  
1 1 1 -19 56  1  o 118.170 4.5331  7643.13    580.194  8000.88    797.368  7240.60    845.808  120.226 6.1439  114.042 6.8798  6.184219       9.223803  
1 1 1 -19 56  2  o 82.511  4.7234  3741.26    420.365  3355.29    576.487  4179.50    614.284  77.464  6.9448  86.645  6.5952  -9.181519      9.577387  
1 1 1 -19 56  3  o 87.908  4.6822  4244.17    444.201  4945.07    610.223  3454.16    647.853  94.501  5.9929  78.310  7.7394  16.19111       9.788431  
1 1 1 -19 56  4  o 37.902  3.4932  789.447    141.788  780.210    148.762  881.106    468.606  37.645  3.6962  38.572  10.792  -0.9274139     11.40772  
1 1 1 -19 56  5  o 77.651  2.8458  3279.51    239.342  3029.91    264.663  4399.88    560.722  74.585  3.2762  89.148  5.8395  -14.56252      6.695729  
1 1 1 -19 56  6  o 28.431  5.1601  457.329    153.045  391.576    168.436  768.589    366.471  26.120  6.0695  36.152  9.3046  -10.03206      11.10916  
1 1 1 -19 56  7  o 119.362 3.0915  7757.31    399.672  8069.49    457.602  6753.13    820.698  121.654 3.4729  109.988 6.9246  11.66644       7.746634  
1 1 1 -19 56  8  o 119.878 3.1832  7829.22    413.305  8217.76    474.502  6607.62    841.364  122.722 3.5698  108.588 7.1945  14.13334       8.031428  
1 1 1 -19 56  9  o 86.876  3.6964  4122.25    347.813  3962.71    427.875  4433.02    597.180  84.840  4.6744  89.202  6.2200  -4.361725      7.780597  
1 1 1 -19 56  10 o 94.155  3.1354  4832.15    319.746  4817.21    369.060  4877.10    640.278  93.907  3.6285  93.457  6.3632  0.4493561      7.325097  
1 1 1 -19 56  11 o 71.438  2.6044  2777.06    201.512  2401.22    294.886  3106.33    276.010  66.061  4.1423  75.431  3.3784  -9.369659      5.345270  
1 1 1 -19 56  12 o 62.609  2.6249  2133.91    177.998  2175.26    289.369  2108.74    225.762  62.804  4.2795  62.045  3.3721  0.7591705      5.448404  
1 1 1 -19 56  13 o 39.176  2.1024  836.527    88.881   951.317    270.763  822.664    94.095   40.819  6.3292  38.831  2.2469  1.987888       6.716166  
1 1 1 -19 56  14 o 17.569  7.1603  78.474     214.709  19.633     268.456  182.929    357.683  18.144  7.7410  23.200  9.3181  -5.056227      12.11405  
1 1 1 -19 56  15 o 62.937  3.8607  2182.67    261.903  2232.36    313.774  2068.53    475.563  63.426  4.5988  59.865  7.4990  3.560852       8.796765  
1 1 1 -19 56  16 o 35.393  1.9659  683.189    75.065   756.415    287.723  677.841    77.758   35.698  7.6701  35.244  2.0458  0.4541092      7.938226  
1 1 1 -19 56  17 o 61.196  3.5099  2064.31    231.671  2464.05    324.161  1646.98    331.219  66.502  4.5274  53.817  5.7724  12.68505       7.336084  
1 1 1 -19 56  18 o 33.726  5.7340  660.676    201.960  678.967    288.052  642.991    283.236  33.259  8.0769  32.349  8.1015  0.9097214      11.43984  
1 1 1 -19 56  19 o 22.034  1.0368  263.420    24.744   -25.6202   292.607  265.502    24.833   17.661  7.7993  22.121  1.0365  -4.459743      7.867904  
1 1 1 -19 56  20 o 15.827  7.1154  -70.0246   255.027  -212.6433  341.848  108.970    382.970  16.722  7.7809  21.527  9.2166  -4.804752      12.06182  
1 1 1 -19 56  21 o 21.163  8.5824  188.228    306.618  380.352    402.664  -76.9134   473.033  25.805  10.034  20.958  9.5294  4.847054       13.83820  
1 1 1 -19 56  22 o 19.301  8.1014  114.314    286.137  -122.6537  411.772  335.586    397.901  19.060  8.7508  24.721  9.8630  -5.660685      13.18542  
1 1 1 -19 56  23 o 32.817  8.7267  725.709    315.556  858.604    453.400  600.864    439.454  33.939  10.887  29.108  10.663  4.830814       15.23944  
1 1 1 -19 56  24 o 55.509  6.1183  1864.13    361.730  1854.69    518.488  1873.08    504.910  51.707  9.6118  52.410  9.2319  -0.7027969     13.32717  
1 1 1 -19 56  25 o 58.843  6.0009  2089.47    377.105  1958.69    543.121  2211.21    524.006  52.722  9.8741  57.568  8.6731  -4.846436      13.14228  
1 1 1 -19 57  1  o 127.169 4.7150  8862.94    649.435  9023.77    917.081  8701.15    919.804  127.403 6.6691  125.026 6.8182  2.377319       9.537556  
1 1 1 -19 57  2  o 107.566 4.5747  6336.41    532.969  6883.58    741.710  5752.26    766.357  111.449 6.1686  101.507 7.0136  9.941994       9.340303  
1 1 1 -19 57  3  o 97.942  4.5863  5253.80    486.518  5627.41    668.622  4833.40    709.256  100.736 6.1577  92.970  7.0972  7.766411       9.396114  
1 1 1 -19 57  4  o 41.493  3.3024  943.755    147.184  889.384    154.916  1448.05    471.797  40.227  3.5934  49.927  9.0583  -9.699783      9.745010  
1 1 1 -19 57  5  o 102.958 2.8884  5767.23    322.098  5511.73    361.753  6744.68    707.575  100.577 3.3208  110.372 5.9408  -9.795021      6.805950  
1 1 1 -19 57  6  o 45.705  3.4023  1144.85    167.216  1100.71    183.164  1365.70    409.724  44.740  3.8163  48.760  8.0382  -4.020012      8.898187  
1 1 1 -19 57  7  o 49.619  3.6137  1350.63    192.875  1406.48    216.688  1137.58    423.199  50.571  3.9884  44.012  9.1750  6.558472       10.00443  
1 1 1 -19 57  8  o 67.434  3.2247  2478.49    235.523  2521.69    267.774  2330.85    495.014  67.861  3.6566  64.202  7.2454  3.658592       8.115800  
1 1 1 -19 57  9  o 60.320  4.2162  2002.59    273.724  1850.19    338.224  2291.90    465.995  57.644  5.4833  63.754  6.8562  -6.109558      8.779201  
1 1 1 -19 57  10 o 22.825  1.4562  283.686    35.810   260.943    205.722  284.397    36.366   22.042  7.3507  22.851  1.4772  -0.8092880     7.497696  
1 1 1 -19 57  11 o 32.942  5.8304  618.915    200.416  736.535    234.893  304.130    384.271  35.884  6.2720  26.012  9.8819  9.872301       11.70423  
1 1 1 -19 57  12 o 49.250  4.3712  1343.17    230.752  1434.51    274.268  1121.85    426.914  50.726  5.0595  43.326  9.3701  7.400105       10.64883  
1 1 1 -19 57  13 o 25.751  1.4964  360.995    41.557   311.304    241.340  362.513    42.187   23.829  7.9619  25.803  1.5162  -1.974667      8.104993  
1 1 1 -19 57  14 o 28.333  6.9517  470.796    211.732  566.267    256.280  265.508    375.802  30.939  7.6829  24.971  9.6982  5.968164       12.37263  
1 1 1 -19 57  15 o 64.758  4.0443  2315.30    282.243  2256.41    346.431  2431.57    486.744  63.579  5.0730  65.165  7.0064  -1.585831      8.650118  
1 1 1 -19 57  16 o 52.195  3.9837  1509.23    223.505  1422.50    327.944  1584.45    305.424  49.877  6.2046  53.004  5.3954  -3.126957      8.222371  
1 1 1 -19 57  17 o 40.420  4.9994  925.432    214.199  1090.66    296.374  744.749    309.927  43.312  6.5198  34.941  8.3106  8.371090       10.56284  
1 1 1 -19 57  18 o 84.579  2.9838  3928.07    273.341  4431.69    450.868  3635.39    343.709  88.823  4.7033  80.963  3.9195  7.860008       6.122371  
1 1 1 -19 57  19 o 48.749  5.0604  1360.47    263.295  1326.59    482.528  1374.84    314.191  44.717  10.190  48.420  6.1282  -3.702953      11.89067  
1 1 1 -19 57  20 o 22.347  8.2977  272.140    267.622  441.724    359.727  61.937     400.498  26.806  9.6739  21.210  9.2525  5.596073       13.38631  
1 1 1 -19 57  21 o 33.751  8.3000  734.540    301.302  739.925    431.221  729.402    421.166  32.536  10.633  32.380  10.504  0.1554832      14.94619  
1 1 1 -19 57  22 o 22.628  8.8922  271.552    318.910  41.580     419.307  587.128    491.187  20.898  9.2773  29.216  11.155  -8.317730      14.50858  
1 1 1 -19 57  23 o 46.521  7.4820  1367.15    364.216  1455.19    487.518  1255.94    547.913  45.361  10.174  40.063  11.818  5.298073       15.59393  
1 1 1 -19 57  24 o 14.708  6.7459  -101.3863  243.884  -70.8586   304.301  -156.2111  407.797  16.798  7.6398  18.296  8.5083  -1.498882      11.43489  
1 1 1 -19 58  1  o 106.539 4.5656  6218.72    526.833  6321.22    733.460  6109.46    757.215  106.652 6.3787  104.702 6.7126  1.950676       9.259953  
1 1 1 -19 58  2  o 68.352  5.0996  2580.46    374.819  2936.42    513.415  2174.23    548.466  72.478  6.6131  61.650  8.4352  10.82800       10.71843  
1 1 1 -19 58  3  o 80.562  4.8219  3572.74    418.814  4299.15    571.680  2731.21    615.310  88.012  6.0335  69.228  8.3767  18.78484       10.32336  
1 1 1 -19 58  4  o 69.824  2.3508  2648.53    177.787  2719.85    235.938  2554.84    270.434  70.679  3.0821  68.329  3.6675  2.349312       4.790600  
1 1 1 -19 58  5  f 19.157  5.7873  204.359    130.211  188.933    136.099  371.144    447.518  18.662  5.9626  28.438  10.696  -9.775272      12.24585  
1 1 1 -19 58  6  o 108.359 2.9906  6392.75    350.984  6433.99    399.842  6254.29    732.724  108.624 3.3985  105.990 6.4129  2.634201       7.257813  
1 1 1 -19 58  7  o 21.998  6.4519  273.895    163.717  316.440    183.843  110.872    359.872  23.566  6.8156  22.321  9.2032  1.245234       11.45214  
1 1 1 -19 58  8  o 119.793 3.1323  7820.71    406.412  7939.72    469.103  7462.58    813.768  120.582 3.5918  115.642 6.5237  4.940002       7.447116  
1 1 1 -19 58  9  o 39.732  5.6469  889.657    236.170  908.030    293.135  855.671    398.689  39.738  7.0698  37.851  9.6850  1.886593       11.99092  
1 1 1 -19 58  10 o 20.641  6.8555  228.493    179.002  372.110    205.652  -220.4206  363.590  25.387  7.1659  18.004  8.2500  7.383068       10.92766  
1 1 1 -19 58  11 o 37.151  5.2514  777.094    205.415  786.908    240.693  750.782    394.120  37.123  6.2052  35.373  9.8976  1.750034       11.68192  
1 1 1 -19 58  12 o 24.994  6.7768  362.721    188.071  498.487    218.067  -31.4507   371.568  29.204  6.9876  20.392  8.9033  8.812353       11.31797  
1 1 1 -19 58  13 o 55.923  4.1956  1728.77    252.274  1733.65    304.466  1718.09    450.593  55.735  5.1002  54.406  7.8757  1.328846       9.382908  
1 1 1 -19 58  14 o 40.426  2.4442  893.057    106.518  1343.19    295.952  826.071    114.169  48.778  5.7099  38.830  2.7321  9.948200       6.329832  
1 1 1 -19 58  15 o 46.094  4.8550  1190.14    238.739  1369.34    290.409  816.574    419.299  49.242  5.5414  36.339  10.223  12.90231       11.62856  
1 1 1 -19 58  16 o 24.166  7.0977  342.132    198.010  126.473    277.842  564.715    282.267  20.134  8.1681  30.560  8.3090  -10.42609      11.65150  
1 1 1 -19 58  17 o 26.014  7.3900  406.080    217.993  353.032    330.036  447.135    290.341  25.420  9.2519  27.267  8.7086  -1.846867      12.70577  
1 1 1 -19 58  18 o 38.714  1.7407  815.822    72.990   469.915    335.488  833.009    74.782   27.673  9.3866  39.117  1.7651  -11.44372      9.551122  
1 1 1 -19 58  19 o 22.717  7.5550  305.147    217.371  349.123    354.607  278.675    275.121  25.061  9.4995  22.670  8.4140  2.391638       12.68998  
1 1 1 -19 58  20 o 31.168  8.6685  628.559    303.273  483.858    380.726  879.774    501.647  27.692  9.9574  35.122  11.467  -7.430717      15.18723  
1 1 1 -19 58  21 o 21.848  8.4556  246.613    284.894  547.181    407.646  -40.3583   398.318  28.716  10.306  19.734  8.8803  8.981827       13.60396  
1 1 1 -19 58  22 o 18.102  7.8614  44.026     286.435  68.275     411.315  21.192     399.121  21.019  9.2663  20.236  9.0134  0.7824936      12.92697  
1 1 1 -19 58  23 o 17.357  7.7180  -6.7149    291.385  175.135    422.654  -171.4420  402.264  22.286  9.6139  18.121  8.4345  4.165625       12.78939  
1 1 1 -19 58  24 o 19.413  8.2608  118.165    304.271  570.818    440.966  -293.2064  420.378  28.223  10.617  17.399  8.2592  10.82376       13.45138  
1 1 1 -19 59  1  o 126.156 4.6580  8729.26    636.464  8810.25    890.721  8644.78    909.774  125.804 6.5597  124.503 6.7721  1.300949       9.428166  
1 1 1 -19 59  2  o 53.709  5.8644  1611.39    335.604  1273.44    454.885  2015.07    497.161  46.582  9.3411  59.452  7.9176  -12.86993      12.24518  
1 1 1 -19 59  3  o 85.144  4.7222  3989.30    433.770  4028.93    592.524  3943.54    636.749  84.976  6.4868  83.833  7.0789  1.143387       9.601504  
1 1 1 -19 59  4  o 71.416  2.7930  2774.86    216.040  2623.27    233.872  3656.73    564.095  69.399  3.1114  80.922  6.4906  -11.52334      7.197827  
1 1 1 -19 59  5  o 71.767  2.4717  2799.62    192.129  2903.75    254.196  2660.87    293.431  72.996  3.2151  69.667  3.9045  3.328812       5.057848  
1 1 1 -19 59  6  o 62.251  3.0777  2111.02    207.514  2056.42    232.254  2327.16    462.060  61.287  3.5135  64.328  6.7314  -3.040588      7.593208  
1 1 1 -19 59  7  o 68.298  3.1139  2541.90    230.347  2469.06    259.755  2810.06    498.388  67.151  3.5844  70.775  6.5767  -3.624115      7.490075  
1 1 1 -19 59  8  o 66.159  3.2643  2387.51    233.914  2506.40    266.379  1987.04    488.919  67.630  3.6501  58.902  7.8598  8.728516       8.666027  
1 1 1 -19 59  9  o 30.277  7.0103  533.155    225.359  427.376    280.608  725.333    378.226  27.368  8.5385  34.886  9.6729  -7.518404      12.90236  
1 1 1 -19 59  10 o 46.921  4.0208  1215.12    202.364  1144.49    231.247  1446.04    418.152  45.349  4.7800  49.965  7.9964  -4.615852      9.316210  
1 1 1 -19 59  11 o 32.044  6.0327  589.309    201.693  658.896    236.815  405.506    384.879  33.738  6.7168  27.868  10.012  5.870392       12.05673  
1 1 1 -19 59  12 o 39.529  5.2617  880.094    219.680  966.270    262.151  676.869    402.574  41.209  6.0539  33.590  10.182  7.619377       11.84606  
1 1 1 -19 59  13 o 71.596  3.4965  2806.18    271.143  2842.69    316.976  2706.61    523.485  71.807  4.0925  68.842  7.1237  2.964287       8.215623  
1 1 1 -19 59  14 o 74.571  3.6603  3050.00    295.641  3003.40    354.559  3156.30    535.553  73.646  4.4661  74.498  6.7092  -0.8517838     8.059772  
1 1 1 -19 59  15 o 39.130  1.8089  832.099    76.661   926.023    300.819  825.575    79.279   39.714  7.2611  38.970  1.8782  0.7433968      7.500051  
1 1 1 -19 59  16 o 22.257  7.0944  283.436    192.756  240.561    290.710  317.074    257.497  22.621  8.5948  23.877  8.2210  -1.256287      11.89345  
1 1 1 -19 59  17 o 42.554  4.9851  1029.44    225.416  840.617    351.094  1161.85    294.019  36.611  8.9331  44.672  6.2476  -8.061718      10.90105  
1 1 1 -19 59  18 o 49.197  4.9438  1379.83    259.868  1403.58    466.690  1369.15    312.859  46.678  9.5527  48.388  6.1054  -1.709949      11.33711  
1 1 1 -19 59  19 o 52.713  6.5399  1647.19    365.365  1636.12    495.811  1660.34    540.483  50.324  9.4433  49.911  10.338  0.4130096      14.00184  
1 1 1 -19 59  20 o 67.697  5.1795  2635.12    376.892  2998.60    532.789  2271.06    533.223  70.535  7.0691  60.084  8.4253  10.45066       10.99812  
1 1 1 -19 59  21 o 67.319  5.6711  2652.19    409.655  2752.56    564.648  2540.65    595.240  66.219  8.0375  62.500  9.0570  3.718643       12.10906  
1 1 1 -19 59  22 o 20.484  8.5584  155.996    317.108  111.520    417.840  216.409    486.974  21.607  9.4374  23.868  10.308  -2.261078      13.97556  
1 1 1 -19 59  23 o 34.512  8.5589  801.290    318.368  1205.24    459.117  427.138    441.859  40.741  10.376  25.998  10.387  14.74338       14.68155  
1 1 1 -19 59  24 f 34.606  8.6982  814.197    325.655  907.428    471.232  728.968    450.554  34.271  11.110  31.065  10.864  3.206402       15.53937  
1 1 1 -19 60  1  o 153.668 5.2229  13002.99   869.298  13350.70   1152.37  12543.84   1324.21  154.776 6.8741  148.910 8.2425  5.865707       10.73276  
1 1 1 -19 60  2  o 27.419  8.7524  421.745    293.299  702.192    393.790  72.340     439.547  34.517  9.9729  23.661  9.9918  10.85539       14.11718  
1 1 1 -19 60  3  o 126.173 4.6809  8737.71    639.683  9227.25    890.464  8215.70    919.532  128.927 6.3768  121.149 7.0381  7.778275       9.497250  
1 1 1 -19 60  4  o 63.362  2.7448  2184.40    188.372  2018.23    201.400  3345.58    532.384  60.793  3.0686  77.369  6.4109  -16.57627      7.107458  
1 1 1 -19 60  5  o 42.139  2.0372  964.172    92.981   970.304    94.718   801.609    487.699  42.271  2.0688  36.750  11.222  5.521374       11.41135  
1 1 1 -19 60  6  o 60.055  3.2112  1971.82    208.122  2073.24    232.930  1570.36    463.447  61.529  3.5098  52.051  8.5150  9.477585       9.210000  
1 1 1 -19 60  7  o 103.336 3.0275  5818.80    338.848  6098.77    386.313  4884.88    705.568  105.713 3.3740  93.179  7.0432  12.53380       7.809589  
1 1 1 -19 60  8  o 75.783  3.1720  3132.21    260.360  3013.71    297.948  3515.01    535.493  74.240  3.7054  79.237  6.2913  -4.997543      7.301402  
1 1 1 -19 60  9  o 45.984  5.3392  1183.67    260.970  1145.95    333.763  1243.01    418.620  44.680  7.1371  45.990  8.7232  -1.309639      11.27086  
1 1 1 -19 60  10 o 55.179  3.6671  1673.17    217.916  1586.66    249.283  1953.48    448.735  53.572  4.3333  58.496  7.2370  -4.924080      8.435170  
1 1 1 -19 60  11 o 29.384  1.2333  468.186    39.252   195.953    224.030  476.807    39.868   20.561  7.6003  29.653  1.2413  -9.092674      7.700988  
1 1 1 -19 60  12 o 85.872  3.3730  4032.75    313.717  3877.07    368.279  4444.52    598.931  84.018  4.0470  88.898  6.2603  -4.880188      7.454514  
1 1 1 -19 60  13 f 57.347  4.0522  1816.14    250.070  1630.85    297.031  2267.11    463.403  54.005  5.1401  63.025  6.9013  -9.019974      8.605166  
1 1 1 -19 60  14 o 37.970  5.5105  819.674    220.001  824.186    261.583  808.769    406.675  37.692  6.6507  36.224  10.025  1.467716       12.03057  
1 1 1 -19 60  15 o 28.636  1.0157  444.606    31.502   79.272     305.803  448.525    31.671   20.023  8.3882  28.762  1.0166  -8.738998      8.449577  
1 1 1 -19 60  16 o 26.637  7.1213  425.053    209.416  370.692    308.651  471.425    285.071  25.605  8.9900  27.904  8.5898  -2.299065      12.43405  
1 1 1 -19 60  17 o 24.195  2.0412  321.400    52.992   641.925    331.016  312.970    53.684   31.801  9.1306  23.864  2.0983  7.936159       9.368566  
1 1 1 -19 60  18 o 65.486  4.3361  2412.46    305.812  2359.49    523.241  2439.94    376.883  62.144  7.9564  65.211  5.3842  -3.066532      9.606975  
1 1 1 -19 60  19 o 23.317  8.6886  299.703    293.943  623.276    427.552  9.6844     404.777  30.647  10.591  20.694  9.1542  9.953138       13.99884  
1 1 1 -19 60  20 o 19.649  8.4251  78.407     320.893  458.679    430.899  -395.0728  480.816  27.357  10.447  18.451  8.7802  8.905544       13.64682  
1 1 1 -19 60  21 o 40.587  7.9066  1046.93    335.078  1561.47    513.594  665.613    442.137  47.516  10.278  30.732  10.762  16.78395       14.88139  
1 1 1 -19 60  22 o 36.510  8.6217  886.780    335.488  1447.05    519.982  487.233    439.108  44.612  10.863  27.209  10.507  17.40293       15.11267  
1 1 1 -19 60  23 o 21.073  8.6018  206.316    310.465  366.265    468.750  81.316     414.387  25.331  10.479  20.994  9.2758  4.337210       13.99472  
1 1 1 -19 61  1  o 115.824 4.5935  7363.53    576.253  7367.52    804.471  7359.32    825.838  114.925 6.4894  114.766 6.6725  0.1596680      9.307776  
1 1 1 -19 61  2  o 30.012  8.6813  523.769    298.245  758.801    402.206  236.676    444.525  35.743  9.9977  26.103  10.422  9.640184       14.44178  
1 1 1 -19 61  3  o 53.823  5.9167  1621.98    339.223  1523.67    455.082  1744.91    508.881  51.281  8.4904  54.799  8.8776  -3.517536      12.28409  
1 1 1 -19 61  4  o 80.840  3.3722  3565.32    295.260  3472.78    337.421  3867.78    609.999  79.683  3.9096  82.995  6.8470  -3.311935      7.884631  
1 1 1 -19 61  5  o 74.358  2.3879  3005.67    192.311  2921.88    203.777  3688.09    581.524  73.292  2.5670  81.075  6.6818  -7.782829      7.157951  
1 1 1 -19 61  6  o 118.285 3.0265  7624.62    387.744  7503.38    442.683  8024.18    803.608  117.221 3.4867  120.004 6.2039  -2.782707      7.116604  
1 1 1 -19 61  7  o 59.062  3.2962  1909.34    210.017  1958.95    236.663  1725.50    455.585  59.751  3.6747  54.766  7.9097  4.984665       8.721628  
1 1 1 -19 61  8  o 56.676  3.5690  1762.46    217.968  1688.90    248.427  2008.46    454.318  55.343  4.1752  59.400  7.2094  -4.057053      8.331119  
1 1 1 -19 61  9  o 60.898  2.7313  2019.85    180.153  2128.54    344.133  1978.82    211.440  61.857  5.1843  60.118  3.2594  1.739014       6.123776  
1 1 1 -19 61  10 o 52.100  3.9151  1496.25    219.312  1582.15    253.367  1239.58    437.968  53.457  4.4155  45.624  9.1809  7.833477       10.18748  
1 1 1 -19 61  11 o 17.984  6.7604  139.743    178.720  146.498    204.991  118.341    364.896  18.864  7.2053  22.343  9.2446  -3.479193      11.72082  
1 1 1 -19 61  12 o 53.699  2.4819  1570.11    144.352  1512.16    301.939  1587.28    164.352  51.904  5.4524  53.877  2.8263  -1.972633      6.141408  
1 1 1 -19 61  13 o 43.676  2.4648  1042.33    116.123  1430.62    286.118  965.754    127.058  50.463  5.3147  41.979  2.8107  8.484776       6.012164  
1 1 1 -19 61  14 o 46.399  3.9700  1193.72    197.594  1081.99    273.861  1315.05    285.375  43.522  5.9668  48.198  5.5691  -4.676323      8.161939  
1 1 1 -19 61  15 o 50.020  4.0131  1390.20    215.585  1375.14    291.884  1408.28    319.791  49.177  5.5787  49.555  6.0861  -0.3782578     8.256041  
1 1 1 -19 61  16 o 33.063  6.2662  643.461    216.186  535.981    316.593  737.362    295.921  29.433  9.0509  34.688  8.0343  -5.254845      12.10248  
1 1 1 -19 61  17 o 63.507  4.3041  2263.74    294.307  2688.62    500.991  2039.85    363.674  67.411  6.9620  59.481  5.7153  7.929501       9.007439  
1 1 1 -19 61  18 o 40.712  7.2788  1007.35    309.184  1204.46    449.599  830.503    425.868  42.760  9.9026  35.084  10.436  7.675629       14.38683  
1 1 1 -19 61  19 o 36.792  8.6264  869.314    337.792  1352.13    455.599  279.895    503.389  45.392  9.5684  25.612  10.748  19.77995       14.38977  
1 1 1 -19 61  20 o 45.585  7.0153  1266.68    335.261  1348.09    490.151  1195.10    459.584  44.229  10.406  41.692  10.250  2.536720       14.60594  
1 1 1 -19 61  21 o 37.309  8.9729  929.109    358.150  1031.92    500.437  821.163    512.790  37.187  11.370  33.141  11.590  4.046299       16.23623  
1 1 1 -19 61  22 o 30.767  10.190  678.287    395.591  1093.51    616.101  387.018    516.011  36.254  12.703  26.113  10.914  10.14088       16.74781  
1 1 1 -19 61  23 o 20.236  8.5142  149.860    317.279  30.651     496.428  232.181    412.532  21.755  9.8402  22.894  9.6745  -1.139030      13.79951  
1 1 1 -19 62  1  o 45.997  2.5228  1154.15    125.208  1416.68    442.273  1131.28    130.549  49.316  8.5923  45.519  2.6595  3.796619       8.994479  
1 1 1 -19 62  2  o 8.6931  2.8025  39.942     30.014   37.839     30.088   468.124    429.307  8.5346  2.8095  29.789  10.588  -21.25436      10.95455  
1 1 1 -19 62  3  o 68.732  5.1313  2617.61    379.241  2871.75    514.722  2315.82    560.904  71.446  6.7310  63.440  8.3673  8.005974       10.73862  
1 1 1 -19 62  4  o 72.792  3.2388  2890.10    255.354  2519.63    286.646  4314.41    562.048  67.744  3.9234  88.019  5.9301  -20.27480      7.110538  
1 1 1 -19 62  5  o 57.156  3.2039  1787.21    197.539  1777.11    212.975  1849.43    528.509  56.944  3.4697  56.309  8.9663  0.6344566      9.614236  
1 1 1 -19 62  6  o 52.313  3.4531  1500.93    194.556  1443.52    213.127  1787.97    476.551  51.216  3.8706  55.664  8.1453  -4.448048      9.018212  
1 1 1 -19 62  7  o 77.158  3.0600  3246.03    255.723  3190.41    290.245  3439.02    540.634  76.412  3.5070  78.276  6.4337  -1.863754      7.327471  
1 1 1 -19 62  8  o 106.670 3.0893  6206.77    356.922  6249.23    409.100  6071.44    730.365  106.915 3.5328  104.031 6.5148  2.884254       7.411057  
1 1 1 -19 62  9  o 98.721  3.6733  5334.73    392.770  5390.59    484.378  5227.48    671.151  98.966  4.5189  96.459  6.4614  2.507172       7.884784  
1 1 1 -19 62  10 o 62.426  3.5017  2138.47    235.806  2295.76    271.094  1649.54    477.974  64.590  3.8933  53.019  8.6194  11.57055       9.457931  
1 1 1 -19 62  11 f 54.101  3.8905  1613.70    226.445  1813.25    262.583  1034.67    447.284  57.265  4.2641  41.176  10.105  16.08928       10.96756  
1 1 1 -19 62  12 o 21.152  7.0674  242.688    190.160  258.737    220.793  196.588    374.209  22.079  7.6119  23.735  9.5317  -1.656458      12.19811  
1 1 1 -19 62  13 o 29.246  1.7257  466.213    54.421   511.013    241.709  463.821    55.855   29.332  7.5604  29.165  1.7767  0.1668148      7.766381  
1 1 1 -19 62  14 o 60.944  3.6836  2049.70    242.008  1934.96    342.128  2164.60    342.374  58.557  5.4572  62.099  5.1365  -3.541203      7.494270  
1 1 1 -19 62  15 o 21.942  7.0162  276.270    188.415  281.835    279.065  271.608    255.420  23.242  8.5001  22.650  8.1546  0.5922661      11.77918  
1 1 1 -19 62  16 o 33.317  1.3697  602.931    49.428   56.802     297.584  618.425    50.124   19.142  8.1580  33.742  1.3715  -14.60015      8.272511  
1 1 1 -19 62  17 o 30.820  7.0808  579.567    231.401  342.674    410.819  689.653    280.053  25.713  10.096  33.293  7.8874  -7.580027      12.81206  
1 1 1 -19 62  18 o 62.096  5.6622  2230.18    376.632  2208.55    511.638  2255.77    556.456  59.900  8.0934  59.877  8.8467  0.2316284E-01  11.99033  
1 1 1 -19 62  19 o 24.289  9.0664  337.139    320.333  590.411    429.531  19.751     480.835  29.833  10.592  22.155  9.8788  7.678097       14.48402  
1 1 1 -19 62  20 o 49.479  7.1270  1499.22    370.922  1790.28    504.849  1157.80    546.781  52.195  9.2698  39.284  11.857  12.91130       15.05084  
1 1 1 -19 62  21 o 22.377  8.7677  266.538    309.239  164.911    479.712  338.797    404.503  23.249  10.135  24.702  9.9135  -1.453070      14.17696  
1 1 1 -19 62  22 o 29.039  9.2283  579.357    326.344  551.634    503.518  599.438    428.537  28.295  11.156  29.041  10.547  -0.7458916     15.35219  
1 1 1 -19 62  23 o 34.850  8.9660  829.666    340.386  1082.66    525.823  647.175    446.582  37.077  11.707  29.775  10.774  7.301249       15.90966  
1 1 1 -19 63  1  o 60.106  5.5072  2013.69    354.539  2089.23    490.019  1930.69    513.600  60.463  7.6541  57.761  8.4604  2.701817       11.40889  
1 1 1 -19 63  2  o 77.347  3.5194  3267.95    294.839  3117.78    340.066  3722.57    591.691  75.304  4.1860  81.359  6.7762  -6.055595      7.964857  
1 1 1 -19 63  3  o 37.019  7.9550  801.838    309.456  566.378    411.354  1108.83    469.700  31.519  10.389  42.909  10.248  -11.39067      14.59245  
1 1 1 -19 63  4  o 69.465  5.0995  2674.73    380.992  2630.63    512.513  2729.21    569.608  68.187  7.0410  69.166  7.7360  -0.9797897     10.46043  
1 1 1 -19 63  5  o 11.677  5.0974  -22.2616   121.747  -43.9806   126.555  247.395    445.929  11.450  5.0891  26.184  10.443  -14.73463      11.61716  
1 1 1 -19 63  6  o ?       ?       -167.5469  31.498   -105.0857  139.148  -170.9203  32.337   10.960  5.0522  ?       ?       0.000000       5.052247  
1 1 1 -19 63  7  o 28.333  5.6841  460.367    168.365  453.983    188.259  485.876    376.310  27.996  6.3541  29.460  9.9416  -1.464108      11.79867  
1 1 1 -19 63  8  o 90.994  3.0579  4517.29    301.378  4265.34    344.728  5334.36    620.788  88.293  3.6048  97.746  5.8913  -9.453217      6.906622  
1 1 1 -19 63  9  o 94.565  3.7201  4897.95    381.022  5170.78    474.514  4402.75    639.282  96.903  4.5211  88.305  6.7348  8.597733       8.111552  
1 1 1 -19 63  10 o 94.025  3.1831  4828.92    324.164  4957.88    374.605  4444.41    646.819  95.149  3.6350  88.643  6.7886  6.505997       7.700556  
1 1 1 -19 63  11 o 98.753  3.1534  5328.14    337.283  5363.18    388.094  5220.02    681.819  98.938  3.6216  96.135  6.5879  2.803406       7.517723  
1 1 1 -19 63  12 o 70.056  3.5826  2697.92    270.930  2676.06    316.788  2757.44    522.799  69.571  4.2241  69.385  7.0547  0.1852951      8.222647  
1 1 1 -19 63  13 o 50.861  4.3345  1439.03    236.502  1424.42    279.298  1476.04    444.594  50.312  5.2004  49.728  8.5635  0.5838318      10.01886  
1 1 1 -19 63  14 o 53.307  2.3147  1549.20    133.646  1591.22    305.004  1539.22    148.680  53.008  5.3873  53.091  2.5856  -0.8253479E-01 5.975604  
1 1 1 -19 63  15 o 33.700  5.9230  662.582    208.301  740.499    294.364  584.433    294.802  34.791  7.9813  30.719  8.5477  4.072586       11.69465  
1 1 1 -19 63  16 o 24.299  1.6111  322.553    42.161   519.576    359.029  319.798    42.455   28.829  9.7107  24.192  1.6298  4.636755       9.846510  
1 1 1 -19 63  17 o 66.192  5.1977  2502.01    369.647  2297.58    494.345  2761.28    556.714  61.701  7.5550  67.519  7.7533  -5.817661      10.82553  
1 1 1 -19 63  18 o 18.466  7.9959  32.880     294.579  342.906    385.359  -402.9724  456.915  25.229  9.8145  18.006  8.5656  7.222891       13.02671  
1 1 1 -19 63  19 o 23.784  9.0119  315.132    319.066  -45.4214   521.943  530.260    403.169  22.171  10.054  28.569  10.249  -6.397602      14.35702  
1 1 1 -19 63  20 o 21.421  8.7691  194.493    323.839  367.875    535.508  94.530     406.614  26.556  11.111  21.416  9.3332  5.139572       14.51056  
1 1 1 -19 63  21 o 19.084  8.5588  -18.2794   366.527  361.139    571.250  -283.7791  477.858  26.447  11.288  18.912  8.9258  7.535795       14.39054  
1 1 1 -19 63  22 o 16.884  7.6690  -74.6306   305.327  -203.6043  477.525  14.561     397.107  19.438  9.0946  19.993  8.9416  -0.5551758     12.75399  
1 1 1 -19 64  1  o 41.970  2.4243  961.176    109.734  1278.72    434.946  939.589    113.403  46.587  8.9451  41.480  2.5364  5.106983       9.297746  
1 1 1 -19 64  2  o 24.924  8.7647  322.575    293.430  595.112    395.786  -10.0601   437.252  31.990  10.162  22.417  9.7242  9.573067       14.06545  
1 1 1 -19 64  3  o 48.575  6.4308  1336.77    330.014  1720.50    444.891  867.284    492.090  54.725  7.7202  37.852  11.209  16.87293       13.61054  
1 1 1 -19 64  4  o 22.195  8.5047  205.070    286.158  261.686    373.070  124.153    446.004  25.041  9.6803  24.358  10.161  0.6828041      14.03411  
1 1 1 -19 64  5  o 56.796  2.2294  1753.46    137.142  1730.73    210.030  1770.35    181.073  56.174  3.4690  56.915  2.9475  -0.7409554     4.552106  
1 1 1 -19 64  6  o 61.037  3.2490  2039.65    214.020  2020.47    232.501  2146.09    547.766  60.685  3.5528  60.764  8.5602  -0.7932663E-01 9.268169  
1 1 1 -19 64  7  o 39.329  4.3366  860.001    181.655  867.510    204.441  831.837    395.945  39.363  4.9014  37.137  9.7277  2.226299       10.89269  
1 1 1 -19 64  8  o 56.327  3.5901  1743.09    217.882  1726.84    248.618  1796.87    452.385  55.933  4.1331  55.827  7.6853  0.1059113      8.726186  
1 1 1 -19 64  9  o 37.823  6.2862  819.470    248.479  905.757    313.786  674.386    406.883  39.353  7.6373  33.556  10.251  5.797256       12.78327  
1 1 1 -19 64  10 o 36.411  1.6428  719.677    64.787   548.450    220.970  735.780    67.765   30.644  6.8319  36.813  1.6995  -6.169859      7.040164  
1 1 1 -19 64  11 o 77.438  3.3475  3281.97    280.764  3209.08    324.987  3496.49    557.488  76.321  3.9449  78.496  6.6190  -2.175011      7.705424  
1 1 1 -19 64  12 o 27.504  6.8191  445.481    202.133  509.611    236.918  273.918    387.509  29.297  7.4496  25.163  9.8272  4.133442       12.33162  
1 1 1 -19 64  13 o 19.354  6.8444  192.489    179.173  154.231    243.813  237.410    264.190  19.849  7.7830  22.129  8.2388  -2.279943      11.33375  
1 1 1 -19 64  14 o 23.928  6.9916  338.663    192.573  394.220    298.072  298.860    252.295  26.054  8.8477  23.269  8.1303  2.784658       12.01595  
1 1 1 -19 64  15 o 12.409  5.8340  -189.2317  200.580  -67.7443   303.769  -283.1485  267.085  17.514  7.8276  13.869  6.5835  3.644867       10.22811  
1 1 1 -19 64  16 o 28.563  7.4080  501.688    231.114  440.400    368.442  541.447    296.757  27.143  9.7912  29.292  8.7116  -2.148918      13.10570  
1 1 1 -19 64  17 o 28.597  8.7370  517.856    295.560  539.280    383.008  486.316    464.707  29.098  10.026  28.513  10.859  0.5845165      14.77934  
1 1 1 -19 64  18 o 48.365  6.1839  1381.06    316.521  1495.03    445.922  1265.33    449.353  48.415  8.8290  43.730  9.7372  4.684849       13.14401  
1 1 1 -19 64  19 o 47.388  7.0789  1369.58    352.193  1411.11    470.145  1316.47    531.661  45.918  9.7542  42.810  11.300  3.108486       14.92798  
1 1 1 -19 64  20 o 24.277  8.8472  358.111    301.933  578.881    442.313  165.473    413.171  29.122  10.694  22.393  9.5799  6.728428       14.35715  
1 1 1 -19 64  21 o 33.751  8.7772  765.885    323.873  747.515    491.673  779.965    430.457  31.643  11.322  32.685  10.620  -1.041784      15.52360  
1 1 1 -19 64  22 o 31.141  9.1620  667.066    329.685  995.488    508.726  429.260    432.891  35.867  11.535  26.150  10.333  9.716799       15.48670  
1 1 1 -19 65  1  o 74.044  4.9553  3037.51    395.108  3024.87    547.969  3051.19    570.230  73.079  7.0089  73.274  7.2815  -0.1944809     10.10671  
1 1 1 -19 65  2  o 81.904  3.5879  3668.54    318.285  3734.95    585.441  3640.67    379.226  81.420  6.6981  81.305  4.3219  0.1146088      7.971403  
1 1 1 -19 65  3  o 112.910 4.6189  7016.72    564.861  6872.56    783.668  7172.60    814.915  110.667 6.5674  112.991 6.6886  -2.324318      9.373816  
1 1 1 -19 65  4  o 49.302  5.5928  1364.02    293.370  1686.97    439.447  1104.38    394.033  54.117  7.7157  43.237  8.7151  10.88028       11.63981  
1 1 1 -19 65  5  o 82.633  2.9140  3722.53    260.804  3585.21    286.611  4383.72    628.897  81.026  3.2659  88.237  6.6289  -7.211311      7.389739  
1 1 1 -19 65  6  o 78.268  3.0749  3342.56    260.669  3368.96    287.844  3222.23    614.570  78.514  3.3848  75.058  7.6674  3.456238       8.381273  
1 1 1 -19 65  7  o 65.023  3.2170  2309.04    226.565  2429.30    255.471  1865.97    490.348  66.541  3.5576  56.666  8.2300  9.875378       8.966026  
1 1 1 -19 65  8  o 124.245 3.1659  8429.63    426.031  8858.92    489.909  7097.90    862.878  127.232 3.5551  111.921 7.1556  15.31013       7.990048  
1 1 1 -19 65  9  o 79.646  3.9249  3481.12    338.585  3341.75    423.161  3729.12    564.474  77.543  5.0663  81.296  6.4641  -3.753357      8.212878  
1 1 1 -19 65  10 o 20.367  7.0644  216.203    190.311  149.749    220.471  410.472    376.960  19.302  7.4473  27.690  9.9131  -8.387943      12.39891  
1 1 1 -19 65  11 o 69.605  3.5693  2664.11    268.181  2487.79    312.339  3158.83    523.170  67.017  4.3261  74.532  6.5472  -7.514832      7.847325  
1 1 1 -19 65  12 f 57.440  2.8322  1802.75    176.200  2623.97    298.128  1361.90    218.433  68.881  4.0135  49.523  4.1095  19.35809       5.744182  
1 1 1 -19 65  13 o 17.842  6.5977  149.905    168.855  406.754    239.534  -103.8064  238.067  26.129  7.8395  15.052  6.8107  11.07732       10.38476  
1 1 1 -19 65  14 f 27.193  6.4462  440.625    186.965  351.975    249.666  553.815    282.113  24.521  8.0941  29.950  8.3717  -5.428238      11.64471  
1 1 1 -19 65  15 o 20.284  1.8822  226.029    40.880   557.453    402.789  222.580    41.092   29.773  10.280  20.123  1.9082  9.649437       10.45577  
1 1 1 -19 65  16 o 17.385  7.4043  43.715     244.828  89.852     343.574  -3.8826    348.968  20.604  8.7732  19.422  8.5501  1.182377       12.25043  
1 1 1 -19 65  17 o 49.504  5.8773  1429.88    308.973  1223.12    433.767  1642.83    440.210  43.346  9.5013  51.508  8.1629  -8.161816      12.52625  
1 1 1 -19 65  18 o 42.954  8.0570  1156.25    361.074  1242.44    511.357  1070.54    509.917  42.072  11.072  38.695  11.397  3.377499       15.88946  
1 1 1 -19 65  19 o 22.787  8.5490  290.939    285.519  9.3269     401.574  578.842    406.034  20.366  9.0581  29.326  10.310  -8.960089      13.72415  
1 1 1 -19 65  20 o 26.992  9.2625  478.755    326.748  678.792    427.880  198.915    506.084  30.947  10.600  24.065  10.450  6.881271       14.88535  
1 1 1 -19 65  21 f 31.333  9.2275  672.604    334.276  668.703    442.428  677.792    510.273  30.468  10.757  30.458  11.428  0.9496689E-02  15.69479  
1 1 1 -19 66  1  o 67.245  4.7278  2503.88    342.151  2655.04    518.435  2387.23    455.416  68.337  7.1084  64.997  6.5588  3.340668       9.671975  
1 1 1 -19 66  2  o 63.586  5.3857  2254.64    367.430  2194.57    503.639  2322.98    537.236  61.823  7.6875  63.489  7.9896  -1.666142      11.08740  
1 1 1 -19 66  3  o 113.780 4.3573  7116.43    536.970  7283.07    791.721  6974.48    730.723  113.945 6.4415  111.719 6.0616  2.226204       8.845121  
1 1 1 -19 66  4  o 34.862  8.2990  719.898    308.849  875.232    407.604  510.481    473.272  38.061  9.8217  30.833  11.100  7.227457       14.82163  
1 1 1 -19 66  5  o 15.924  5.6792  122.231    123.612  118.293    128.464  171.438    454.063  15.928  5.7760  25.096  10.341  -9.167276      11.84501  
1 1 1 -19 66  6  o 80.670  2.6467  3544.44    231.250  3702.25    296.355  3298.74    369.771  82.311  3.3242  77.306  4.4347  5.005081       5.542292  
1 1 1 -19 66  7  o 115.596 3.0825  7293.73    385.935  7373.83    441.453  7034.03    794.925  116.094 3.5108  111.789 6.5946  4.305313       7.470856  
1 1 1 -19 66  8  o 119.395 3.1812  7787.50    411.382  7659.47    472.474  8188.75    836.448  118.232 3.6895  120.679 6.4225  -2.446754      7.406812  
1 1 1 -19 66  9  o 134.133 3.8697  9877.80    562.196  10151.02   694.214  9357.18    958.298  135.522 4.7295  128.491 6.9112  7.030640       8.374562  
1 1 1 -19 66  10 o 80.934  3.3208  3586.07    291.105  3411.31    337.133  4098.21    577.140  78.660  3.9699  85.128  6.3043  -6.467285      7.450133  
1 1 1 -19 66  11 o 37.520  5.2189  798.329    206.341  854.847    238.676  631.098    410.553  38.622  5.8922  32.245  10.362  6.377052       11.91986  
1 1 1 -19 66  12 o 49.984  3.6913  1382.74    198.428  1371.77    275.883  1394.50    285.608  49.251  5.2528  49.602  5.4036  -0.3504868     7.535994  
1 1 1 -19 66  13 o 50.534  2.3961  1394.06    131.148  1495.52    313.887  1372.60    144.352  51.095  5.7731  50.026  2.6738  1.069195       6.362268  
1 1 1 -19 66  14 o 46.023  4.5129  1194.65    222.067  1255.13    313.522  1133.77    314.582  46.282  6.4279  43.724  6.8692  2.558422       9.407673  
1 1 1 -19 66  15 o 45.135  5.2239  1167.94    250.652  1029.08    405.736  1253.64    318.750  39.928  9.5167  46.074  6.5738  -6.145863      11.56643  
1 1 1 -19 66  16 o 39.258  7.4343  940.202    304.534  1000.47    400.935  858.019    468.199  39.200  9.5347  35.434  11.025  3.765549       14.57612  
1 1 1 -19 66  17 o 37.991  7.8095  898.294    310.608  749.511    405.685  1109.06    482.857  33.321  10.245  40.047  10.859  -6.726135      14.92918  
1 1 1 -19 66  18 o 22.820  8.7255  278.762    300.818  476.712    470.492  141.889    391.230  27.926  10.850  21.970  9.3584  5.955753       14.32824  
1 1 1 -19 66  19 o 20.477  8.4551  158.569    304.320  98.613     392.621  248.796    481.641  21.247  9.2156  24.531  10.415  -3.283752      13.90653  
1 1 1 -19 66  20 o 20.146  8.0808  183.811    268.626  249.446    355.830  96.836     409.613  22.681  9.2279  21.345  9.3329  1.336611       13.12470  
1 1 1 -19 66  21 o 30.770  8.4187  628.178    288.703  714.022    391.986  526.403    426.810  31.695  10.118  27.889  10.454  3.806135       14.54906  
1 1 1 -19 67  1  f 74.174  4.9860  3052.53    398.236  3107.07    552.861  2993.72    574.122  74.004  6.9799  72.418  7.4246  1.586365       10.19037  
1 1 1 -19 67  2  o 66.468  3.1289  2411.56    225.252  2443.48    515.586  2404.03    250.415  65.370  7.4131  66.208  3.5045  -0.8383484     8.199769  
1 1 1 -19 67  3  o 35.901  8.1850  762.313    311.198  1050.64    418.426  405.407    465.535  41.820  9.4591  28.903  10.901  12.91663       14.43320  
1 1 1 -19 67  4  o 15.834  7.2644  -180.0150  283.051  -269.4451  369.267  -52.6155   440.740  17.611  8.1574  21.894  9.6242  -4.282543      12.61621  
1 1 1 -19 67  5  o 41.121  3.6865  933.105    162.446  917.174    171.891  1066.23    496.895  40.710  3.9480  41.622  10.895  -0.9125404     11.58821  
1 1 1 -19 67  6  o 85.154  3.0617  3957.78    282.381  3902.45    312.941  4200.28    655.153  84.475  3.4203  86.013  7.0958  -1.538773      7.877100  
1 1 1 -19 67  7  f 35.732  4.9289  718.447    185.677  689.395    203.991  858.801    448.363  34.803  5.6016  37.423  10.587  -2.620224      11.97754  
1 1 1 -19 67  8  o 82.717  3.1805  3739.90    284.944  3645.62    327.293  4035.11    579.178  81.533  3.7062  84.539  6.3722  -3.006058      7.371616  
1 1 1 -19 67  9  o 123.283 3.8775  8352.19    517.752  7558.86    639.938  9855.62    880.955  116.685 5.0635  132.477 6.1397  -15.79152      7.958305  
1 1 1 -19 67  10 o 36.517  5.0502  754.422    194.394  702.984    221.320  928.084    406.655  34.904  6.0750  38.792  9.7032  -3.888176      11.44806  
1 1 1 -19 67  11 o 49.432  4.2095  1360.23    223.227  1375.78    258.953  1315.25    440.423  49.482  4.8960  46.445  9.0806  3.037621       10.31636  
1 1 1 -19 67  12 o 43.643  4.3935  1067.88    204.858  892.001    286.367  1252.22    293.180  38.811  7.0729  46.681  5.9326  -7.869514      9.231556  
1 1 1 -19 67  13 o 47.711  4.3122  1276.97    220.426  1365.85    312.879  1189.38    310.593  48.560  6.0822  45.037  6.5600  3.522987       8.945761  
1 1 1 -19 67  14 f 49.524  4.8016  1390.58    254.318  1453.61    411.867  1351.73    323.316  48.776  8.0789  48.028  6.3727  0.7488594      10.28979  
1 1 1 -19 67  15 o 55.508  5.6067  1775.11    332.464  1949.08    446.771  1559.23    497.688  56.973  7.4159  49.236  9.6777  7.737312       12.19231  
1 1 1 -19 67  16 o 49.260  6.2412  1426.68    325.524  1461.69    433.795  1381.54    492.494  48.253  8.6163  45.622  10.220  2.631554       13.36787  
1 1 1 -19 67  17 o 27.487  8.4571  479.077    276.368  279.091    390.139  680.515    391.552  24.147  9.7199  31.840  10.107  -7.693640      14.02258  
1 1 1 -19 67  18 o 40.526  8.4908  1054.82    360.758  1178.17    511.167  932.413    509.215  40.491  11.252  35.748  11.545  4.742542       16.12110  
1 1 1 -19 67  19 o 17.806  7.7371  33.283     277.759  63.546     391.455  2.5964     394.180  20.732  9.0928  20.049  8.9418  0.6824875      12.75287  
1 1 1 -19 67  20 o 17.378  7.8842  -75.4396   321.555  -50.0096   425.396  -109.3395  491.156  19.974  9.0644  20.640  9.5060  -0.6660595     13.13499  
1 1 1 -19 67  21 o 30.109  8.9792  613.368    314.948  545.138    391.711  738.134    529.695  28.234  10.106  31.425  11.673  -3.190638      15.43930  
1 1 1 -19 68  1  o 90.557  3.8568  4496.13    378.283  4242.98    462.276  5009.22    658.129  87.516  4.8966  94.339  6.4802  -6.823402      8.122178  
1 1 1 -19 68  2  o 41.700  7.3999  1009.75    321.978  1296.14    439.029  676.435    473.629  46.717  9.0029  33.847  11.147  12.87085       14.32867  
1 1 1 -19 68  3  o 62.683  5.4666  2195.94    367.423  1930.25    497.123  2515.81    545.465  57.637  8.1939  66.137  7.7623  -8.499752      11.28686  
1 1 1 -19 68  4  o 168.337 5.2522  15703.08   957.617  16905.78   1343.26  14460.11   1365.56  172.975 7.1698  159.251 7.9170  13.72391       10.68103  
1 1 1 -19 68  5  o 149.949 3.3578  12295.24   545.340  11692.11   622.733  14279.37   1129.49  145.961 3.9391  159.464 6.5396  -13.50275      7.634287  
1 1 1 -19 68  6  o 168.847 3.5226  15610.41   644.206  15295.09   734.970  16655.79   1338.22  166.829 4.0675  171.443 7.2067  -4.613556      8.275373  
1 1 1 -19 68  7  o 54.957  2.1510  1642.68    128.038  1368.80    233.908  1759.85    152.994  49.645  4.3955  56.842  2.4850  -7.196644      5.049355  
1 1 1 -19 68  8  o 32.634  2.2939  582.522    80.565   949.185    215.278  522.806    86.878   41.105  4.9341  30.857  2.6244  10.24732       5.588602  
1 1 1 -19 68  9  o 17.130  2.0297  161.813    36.926   405.595    289.457  157.780    37.230   26.557  8.7128  16.905  2.0770  9.652197       8.956938  
1 1 1 -19 68  10 o 14.437  1.7048  114.816    26.143   78.918     210.610  115.378    26.346   17.326  7.0799  14.471  1.7142  2.854613       7.284480  
1 1 1 -19 68  11 o 37.129  2.4608  755.677    98.399   1221.10    244.206  665.468    107.512  46.524  4.9210  34.752  2.8824  11.77214       5.703002  
1 1 1 -19 68  12 o 41.628  4.4737  975.924    198.545  1133.57    271.164  793.740    291.507  44.365  5.7805  36.190  7.6749  8.174534       9.608224  
1 1 1 -19 68  13 o 42.172  5.4098  1022.40    241.407  885.573    402.948  1099.00    301.504  36.945  9.8787  43.133  6.6689  -6.188274      11.91896  
1 1 1 -19 68  14 o 44.241  6.4011  1151.28    297.807  960.577    400.180  1387.99    445.835  38.525  9.6197  46.910  9.1032  -8.384438      13.24409  
1 1 1 -19 68  15 o 37.287  7.5563  852.392    294.716  952.708    390.862  720.206    448.674  38.300  9.4746  32.823  10.851  5.476971       14.40554  
1 1 1 -19 68  16 o 34.987  8.1518  771.418    303.176  695.680    400.848  872.658    463.444  32.262  10.225  35.544  10.954  -3.281956      14.98474  
1 1 1 -19 68  17 o 32.976  7.9365  688.546    280.043  760.537    346.822  553.678    474.704  33.938  9.2032  29.270  11.015  4.667543       14.35364  
1 1 1 -19 68  18 o 50.422  6.1356  1509.04    328.167  1727.61    466.047  1294.08    462.172  51.980  8.5771  43.628  9.9951  8.351799       13.17079  
1 1 1 -19 68  19 o 41.730  8.6224  1137.06    376.828  1221.65    533.974  1053.14    531.862  40.384  11.597  37.219  11.776  3.165596       16.52786  
1 1 1 -19 68  20 o 39.615  7.4024  985.464    305.938  924.176    404.908  1067.00    467.034  36.296  9.9864  38.311  10.794  -2.014816      14.70478  
1 1 1 -19 69  1  o 64.426  5.3390  2318.95    369.198  2885.44    515.174  1720.82    529.364  71.290  6.7525  53.672  9.4515  17.61839       11.61575  
1 1 1 -19 69  2  o 56.910  2.7213  1765.38    167.739  1603.50    480.675  1787.83    178.991  52.074  8.8384  57.174  2.8999  -5.099762      9.301971  
1 1 1 -19 69  3  o 76.627  3.4786  3213.94    288.703  3279.35    329.877  2999.86    596.756  77.185  3.9592  72.181  7.7547  5.004097       8.706954  
1 1 1 -19 69  4  o 125.346 4.7270  8679.68    641.750  8584.65    891.429  8781.91    924.625  123.279 6.7013  124.553 6.8807  -1.273590      9.604761  
1 1 1 -19 69  5  o 159.155 3.3677  13861.14   580.528  12953.25   664.339  16793.78   1193.99  153.531 3.9951  172.886 6.3763  -19.35504      7.524512  
1 1 1 -19 69  6  o 117.519 3.0394  7545.08    386.870  7236.99    435.165  8706.56    844.929  114.932 3.4958  124.325 6.2952  -9.393051      7.200665  
1 1 1 -19 69  7  o 69.101  3.3548  2614.88    251.089  2546.90    277.359  2923.63    591.077  67.995  3.7811  70.999  7.8158  -3.003937      8.682385  
1 1 1 -19 69  8  o 92.442  3.0995  4675.06    310.339  4613.22    355.330  4873.94    637.201  91.674  3.5786  92.690  6.3861  -1.015396      7.320394  
1 1 1 -19 69  9  o 68.278  4.2173  2586.03    310.351  2459.35    389.669  2805.79    513.227  66.034  5.4982  69.803  6.8777  -3.769363      8.805293  
1 1 1 -19 69  10 o 40.572  4.8191  929.463    207.627  991.763    239.522  741.148    416.430  41.706  5.4314  34.255  10.350  7.450684       11.68840  
1 1 1 -19 69  11 o 18.589  6.4588  183.306    159.111  253.458    225.588  113.858    224.452  21.703  7.6794  18.351  7.3775  3.352295       10.64902  
1 1 1 -19 69  12 o 38.791  2.0287  822.372    84.940   681.760    313.884  833.483    88.232   32.980  8.6719  39.042  2.0942  -6.061584      8.921229  
1 1 1 -19 69  13 o 12.219  5.7883  -217.0918  204.374  -363.9226  337.823  -132.3298  256.673  15.368  7.3257  15.178  6.9465  0.1898174      10.09559  
1 1 1 -19 69  14 o 31.441  8.2658  619.679    285.205  754.987    389.588  463.421    418.661  33.940  9.9523  27.982  10.381  5.958092       14.38071  
1 1 1 -19 69  15 o 21.012  7.8785  225.856    242.428  260.006    298.183  159.268    416.372  22.637  8.6798  22.943  9.7086  -0.3055496     13.02291  
1 1 1 -19 69  16 o 19.967  8.1895  140.673    283.112  171.914    371.932  97.633     436.548  22.217  9.2744  22.364  9.7088  -0.1469193     13.42669  
1 1 1 -19 69  17 o 21.293  7.9435  243.482    245.831  402.828    322.155  21.348     380.366  25.626  9.1653  20.170  8.9006  5.456209       12.77591  
1 1 1 -19 69  18 o 17.393  7.5628  24.700     265.752  212.063    321.263  -381.3722  472.957  21.721  8.7933  18.273  8.6988  3.448452       12.36891  
1 1 1 -19 69  19 o 61.836  5.7431  2251.22    380.250  2868.37    569.279  1754.07    510.948  67.532  7.9342  51.098  9.5842  16.43346       12.44222  
1 1 1 -19 69  20 o 48.784  6.7766  1453.34    348.391  1281.09    435.413  1759.85    580.830  43.456  9.5146  49.347  11.132  -5.890797      14.64424  
1 1 1 -19 70  1  o 42.880  7.1830  1068.18    321.804  1060.19    445.293  1076.91    465.584  41.568  10.010  41.764  10.346  -0.1963043     14.39590  
1 1 1 -19 70  2  o 33.409  8.5580  669.708    311.053  524.027    424.280  839.003    457.374  30.377  10.547  36.854  10.777  -6.476486      15.07928  
1 1 1 -19 70  3  o 44.062  6.0386  1105.52    280.602  1028.12    343.785  1259.99    485.681  41.776  7.8870  45.324  10.146  -3.548462      12.85122  
1 1 1 -19 70  4  o 71.806  3.2870  2821.25    255.641  2801.85    533.847  2827.03    291.200  69.924  7.1494  71.670  3.7645  -1.746513      8.079968  
1 1 1 -19 70  5  o 112.840 2.7709  6947.71    338.650  6750.30    374.455  7834.41    793.594  111.117 3.1114  117.893 6.2372  -6.775848      6.970157  
1 1 1 -19 70  6  o 44.912  3.9152  1117.52    188.545  1036.76    202.933  1627.22    509.820  43.115  4.4076  51.896  9.4169  -8.780991      10.39733  
1 1 1 -19 70  7  o 38.295  4.7385  824.884    192.343  796.366    208.384  989.024    499.929  37.450  5.2842  39.449  11.186  -1.998867      12.37122  
1 1 1 -19 70  8  o 21.922  6.8658  274.937    181.236  195.962    206.558  539.096    377.771  19.998  7.3131  30.027  9.9586  -10.02836      12.35534  
1 1 1 -19 70  9  o 88.664  3.8324  4336.94    368.031  4423.55    459.567  4182.08    614.508  88.972  4.7866  85.248  6.7096  3.723824       8.242008  
1 1 1 -19 70  10 o 63.110  3.5574  2201.75    242.178  2267.56    278.063  1995.03    492.850  63.863  4.0408  57.691  8.1116  6.172012       9.062325  
1 1 1 -19 70  11 o 18.403  6.6273  172.582    168.712  190.173    227.717  151.177    251.199  20.091  7.6132  19.740  7.8490  0.3510075      10.93472  
1 1 1 -19 70  12 o 21.476  7.3475  259.414    205.574  330.116    324.693  212.110    265.585  24.647  9.1421  21.269  8.1829  3.378267       12.26938  
1 1 1 -19 70  13 o 38.964  7.0798  912.341    287.778  1018.12    399.970  798.802    414.371  39.823  9.4204  34.808  10.280  5.015785       13.94375  
1 1 1 -19 70  14 o 43.567  6.7836  1131.40    309.686  1058.79    428.943  1210.45    447.574  40.141  9.9226  43.082  9.8113  -2.941288      13.95422  
1 1 1 -19 70  15 o 38.181  6.5418  871.509    260.796  1016.42    353.905  699.307    385.797  40.163  8.4054  32.458  9.9930  7.705387       13.05796  
1 1 1 -19 70  16 o 24.370  8.3956  358.936    268.575  305.351    385.934  409.256    373.993  24.472  9.7294  26.205  9.7934  -1.732767      13.80479  
1 1 1 -19 70  17 o 14.714  6.7936  -143.5775  253.088  -45.6534   306.893  -351.7588  447.469  17.543  7.8523  18.003  8.5386  -0.4596176     11.60029  
1 1 1 -19 70  18 o 29.877  8.1480  578.809    270.951  757.019    357.353  337.807    415.568  33.366  9.4560  24.973  10.039  8.393192       13.79113  
1 1 1 -19 70  19 f 36.073  8.0511  837.741    306.590  765.831    379.201  973.483    520.992  33.218  9.8405  35.880  11.685  -2.662514      15.27666  
1 1 1 -19 71  1  o 41.840  7.3842  1025.17    322.393  974.124    445.660  1081.21    466.950  39.597  10.295  41.693  10.381  -2.095497      14.62016  
1 1 1 -19 71  2  o 58.552  5.7155  1934.36    357.845  1763.49    491.729  2126.72    521.742  54.537  8.6104  60.202  8.2161  -5.665268      11.90141  
1 1 1 -19 71  3  o 40.927  7.4607  983.473    318.538  1271.08    427.902  625.989    477.059  45.989  8.9124  32.534  11.190  13.45490       14.30587  
1 1 1 -19 71  4  o 73.927  5.0495  3051.20    401.904  2864.36    545.506  3273.02    594.391  70.516  7.2454  75.337  7.3792  -4.820999      10.34160  
1 1 1 -19 71  5  o 87.516  2.8145  4183.13    266.783  4082.55    292.898  4672.89    646.336  86.371  3.1310  90.561  6.6356  -4.190605      7.337175  
1 1 1 -19 71  6  o 43.157  3.9804  1034.99    183.964  1014.92    197.228  1169.34    510.265  42.634  4.3313  42.858  10.952  -0.2243996     11.77703  
1 1 1 -19 71  7  o 5.2699  2.4094  -20.9521   30.769   -34.4024   178.337  -20.5394   31.238   13.904  6.1168  5.3370  2.4352  8.566935       6.583690  
1 1 1 -19 71  8  o 30.571  1.3290  507.289    44.007   274.416    212.950  517.678    44.978   22.183  7.4786  30.882  1.3447  -8.698748      7.598577  
1 1 1 -19 71  9  o 56.209  2.5649  1726.76    156.154  1522.96    356.554  1775.12    173.698  51.161  6.5876  56.938  2.8166  -5.776989      7.164444  
1 1 1 -19 71  10 o 68.238  3.5105  2575.14    258.573  2598.56    297.982  2503.75    520.262  68.317  4.0451  64.935  7.5375  3.381844       8.554323  
1 1 1 -19 71  11 o 18.555  6.9912  161.219    191.346  116.122    293.617  194.510    252.272  20.029  8.2904  20.650  7.9666  -0.6206436     11.49771  
1 1 1 -19 71  12 o 29.962  7.7200  552.977    252.081  606.272    336.889  485.176    379.980  30.882  9.3042  28.257  9.9701  2.624441       13.63714  
1 1 1 -19 71  13 o 44.142  6.4140  1148.25    297.678  971.035    411.405  1342.97    431.257  38.546  9.8250  46.172  8.9467  -7.625805      13.28813  
1 1 1 -19 71  14 o 41.998  6.9786  1060.61    306.305  1188.76    424.696  921.672    442.195  42.892  9.4012  36.921  10.538  5.970543       14.12205  
1 1 1 -19 71  15 o 18.176  7.6462  76.838     255.805  23.973     323.659  164.818    417.536  19.053  8.3145  22.918  9.7114  -3.864592      12.78446  
1 1 1 -19 71  16 o 25.608  8.8961  405.188    301.853  800.537    403.964  -94.6212   454.208  34.216  10.161  20.458  9.3158  13.75808       13.78545  
1 1 1 -19 71  17 o 30.221  8.3690  592.494    283.316  704.612    350.004  379.409    482.514  32.362  9.4170  26.390  10.742  5.972212       14.28556  
1 1 1 -19 71  18 o 39.138  7.5284  960.975    307.543  953.969    383.600  973.580    514.551  37.546  9.4423  36.080  11.601  1.465389       14.95768  
1 1 1 -19 71  19 o 33.347  7.9729  716.684    284.070  775.618    377.270  639.528    431.675  33.466  9.7881  30.217  10.630  3.248358       14.45038  
1 1 1 -19 72  1  o 130.835 4.7620  9507.14    674.812  9069.92    949.420  9953.52    959.315  125.829 6.9940  132.099 6.7271  -6.269836      9.704104  
1 1 1 -19 72  2  o 60.617  5.0570  2059.79    328.987  2175.70    420.967  1877.94    527.307  61.702  6.3918  55.876  9.0202  5.825657       11.05524  
1 1 1 -19 72  3  o 33.493  8.4497  680.313    306.510  577.741    408.515  812.436    463.641  31.047  10.359  35.919  10.936  -4.872030      15.06321  
1 1 1 -19 72  4  o 82.116  4.8645  3763.52    430.719  3562.69    588.096  3995.90    632.591  78.671  6.9741  83.271  7.0811  -4.599983      9.938827  
1 1 1 -19 72  5  f 31.267  4.2409  549.954    139.916  520.442    152.207  710.858    355.405  30.244  4.8073  33.907  9.3671  -3.662910      10.52862  
1 1 1 -19 72  6  o 63.781  3.2586  2237.76    224.357  2172.44    244.718  2582.04    561.803  62.728  3.6173  66.094  8.0116  -3.365963      8.790346  
1 1 1 -19 72  7  o 91.055  3.1815  4550.18    313.764  4489.31    351.413  4789.44    696.749  90.280  3.5938  90.804  7.1420  -0.5242691     7.995216  
1 1 1 -19 72  8  o 79.091  3.2849  3439.20    281.398  3456.88    317.741  3374.93    605.929  79.132  3.7072  75.726  7.4857  3.406181       8.353375  
1 1 1 -19 72  9  o 39.655  8.0976  961.378    336.034  757.024    552.184  1081.57    423.478  34.063  12.019  41.210  9.6564  -7.147099      15.41743  
1 1 1 -19 72  10 o 16.596  6.9673  50.092     211.699  -54.9473   256.455  274.763    375.067  16.256  7.2341  24.354  9.6202  -8.098095      12.03663  
1 1 1 -19 72  11 o 42.698  5.4781  1049.41    247.501  1032.82    301.853  1083.43    432.353  41.648  6.9355  40.925  9.8686  0.7227173      12.06199  
1 1 1 -19 72  12 o 55.064  5.3580  1735.34    315.503  1860.84    411.981  1557.36    490.630  56.065  6.9322  49.452  9.5055  6.613316       11.76473  
1 1 1 -19 72  13 o 34.350  7.4609  724.385    269.637  639.735    358.469  834.689    409.195  31.390  9.6273  35.437  10.145  -4.047773      13.98592  
1 1 1 -19 72  14 o 22.110  8.4031  250.714    277.938  429.706    381.878  49.098     405.293  26.858  9.9239  21.255  9.2888  5.603617       13.59292  
1 1 1 -19 72  15 o 39.597  7.7164  973.835    319.044  1057.25    439.204  880.642    464.228  39.497  10.197  35.494  10.967  4.002331       14.97531  
1 1 1 -19 72  16 o 45.794  6.6157  1260.79    318.622  1135.19    473.589  1364.65    430.663  40.304  10.678  45.869  8.9900  -5.565014      13.95858  
1 1 1 -19 72  17 o 69.387  5.0306  2771.47    375.501  2674.28    487.252  2913.61    589.244  66.508  6.8628  68.041  8.1584  -1.532890      10.66099  
1 1 1 -19 72  18 o 14.689  6.8776  -199.5084  273.925  -309.9803  394.148  -96.3034   380.964  16.981  8.0421  18.672  8.5138  -1.691355      11.71157  
1 1 1 -19 73  1  o 50.710  6.3516  1481.10    341.208  1805.27    477.848  1143.88    487.374  54.995  8.2789  42.321  10.643  12.67398       13.48379  
1 1 1 -19 73  2  o 40.771  2.0050  904.675    88.540   913.718    90.201   665.938    463.464  40.971  2.0326  32.821  11.033  8.150436       11.21879  
1 1 1 -19 73  3  o 30.635  8.7445  573.313    304.475  508.167    406.424  656.644    459.659  29.463  10.318  32.616  10.988  -3.152634      15.07260  
1 1 1 -19 73  4  o 53.621  6.0546  1646.86    345.471  1469.18    462.887  1870.29    519.066  49.034  9.0492  55.534  8.9325  -6.500385      12.71526  
1 1 1 -19 73  5  o 24.465  5.3182  348.180    136.903  304.563    143.198  811.774    466.851  22.789  5.7899  35.531  11.002  -12.74241      12.43216  
1 1 1 -19 73  6  o 31.594  5.1302  572.705    169.531  548.488    180.877  747.763    486.322  30.735  5.6414  34.144  11.298  -3.409521      12.62807  
1 1 1 -19 73  7  o 55.240  3.9082  1696.78    232.322  1608.38    256.593  2098.89    547.245  53.563  4.4636  58.555  8.9098  -4.991859      9.965322  
1 1 1 -19 73  8  f 67.677  4.2659  2557.49    311.097  2578.52    364.044  2500.56    599.011  67.574  5.0097  63.860  8.9025  3.713795       10.21525  
1 1 1 -19 73  9  o 58.693  5.7938  1978.76    363.504  1731.39    549.472  2171.28    484.737  51.987  10.122  60.331  7.5859  -8.343502      12.64949  
1 1 1 -19 73  10 o 29.110  6.9028  511.395    214.337  618.373    280.176  360.446    332.810  31.578  8.1401  25.390  9.2831  6.187208       12.34658  
1 1 1 -19 73  11 o 34.761  6.3688  715.961    230.947  820.311    295.502  552.192    370.194  36.610  7.6966  29.611  9.8600  6.999250       12.50826  
1 1 1 -19 73  12 o 19.474  7.8512  140.148    254.982  81.006     363.683  197.326    357.593  20.934  8.9726  22.581  9.2262  -1.647011      12.86973  
1 1 1 -19 73  13 o 24.066  8.2299  342.598    257.917  637.225    342.831  -41.6055   391.493  31.355  9.3722  19.914  8.8942  11.44072       12.92075  
1 1 1 -19 73  14 o 21.906  8.3557  245.660    275.441  27.252     373.818  505.089    407.413  20.249  8.8832  28.335  10.284  -8.085890      13.58974  
1 1 1 -19 73  15 o 30.562  8.7986  607.284    307.013  596.321    420.493  619.802    449.300  29.939  10.494  30.395  10.829  -0.4563465     15.07953  
1 1 1 -19 73  16 o 51.290  6.5654  1577.67    356.351  1796.41    491.716  1335.70    517.160  52.763  8.9223  43.457  10.982  9.306316       14.15001  
1 1 1 -19 73  17 o 32.034  9.1429  685.989    332.868  799.133    453.118  553.347    490.608  33.440  10.898  28.979  11.128  4.461391       15.57560  
1 1 1 -19 73  18 o 29.125  9.2152  565.904    325.690  589.621    431.373  534.462    496.694  29.399  10.596  28.616  11.140  0.7826710      15.37423  
1 1 1 -19 74  1  o 35.868  1.9264  702.244    74.565   703.714    75.633   651.308    445.252  35.902  1.9524  32.252  10.814  3.649693       10.98912  
1 1 1 -19 74  2  o 15.334  7.1176  -203.9338  283.339  -210.4758  384.994  -196.2033  418.505  18.287  8.4201  19.299  8.8465  -1.012321      12.21306  
1 1 1 -19 74  3  o 24.008  8.7818  304.822    297.887  636.559    399.688  -109.7090  446.789  31.884  10.221  20.850  9.3917  11.03441       13.88091  
1 1 1 -19 74  4  o 16.738  7.5280  -93.2900   285.761  -329.4871  376.765  226.612    438.472  16.919  7.9671  24.828  10.189  -7.909500      12.93374  
1 1 1 -19 74  5  o 31.597  4.4440  565.834    147.887  510.683    155.503  1087.85    478.412  29.820  4.9911  40.838  10.691  -11.01844      11.79844  
1 1 1 -19 74  6  o 20.716  1.4046  234.137    31.328   29.987     177.715  240.685    31.826   15.074  6.3589  21.004  1.4071  -5.929893      6.512681  
1 1 1 -19 74  7  o 5.6614  2.5739  -20.9669   34.498   -215.4999  231.342  -16.5427   34.888   13.319  6.2628  5.8638  2.6344  7.454878       6.794326  
1 1 1 -19 74  8  o 48.353  2.7334  1284.68    142.566  1670.75    318.009  1187.57    159.492  54.054  5.5088  46.360  3.1959  7.694054       6.368667  
1 1 1 -19 74  9  o 27.731  11.286  360.411    532.407  360.411    532.407  0.0000     0.0000   27.731  11.286  ?       ?       0.000000       11.28559  
1 1 1 -19 74  10 f 29.335  7.2191  523.968    227.817  572.092    285.040  438.860    379.061  30.267  8.3990  27.344  9.9209  2.922855       12.99871  
1 1 1 -19 74  11 o 42.231  5.7776  1036.52    257.342  1216.23    343.501  806.611    388.516  44.949  7.3067  35.126  9.8265  9.823067       12.24530  
1 1 1 -19 74  12 o 28.378  8.1913  503.653    265.778  735.175    373.339  265.754    378.446  33.505  9.7191  24.006  9.6048  9.499588       13.66426  
1 1 1 -19 74  13 f 17.018  7.3497  21.367     247.589  -125.0702  329.242  211.953    375.608  17.340  7.9097  22.962  9.4271  -5.622078      12.30584  
1 1 1 -19 74  14 f 41.719  6.8818  1051.65    300.116  1144.27    400.834  933.496    452.748  42.041  9.0693  36.705  10.719  5.335670       14.04090  
1 1 1 -19 74  15 o 35.638  8.3589  814.698    317.072  744.678    436.440  892.961    461.416  32.751  10.696  35.557  10.925  -2.806473      15.28981  
1 1 1 -19 74  16 o 17.051  7.5408  -15.3930   274.478  46.770     415.443  -63.5470   365.647  21.085  9.3033  18.751  8.4665  2.334337       12.57906  
1 1 1 -19 74  17 o 33.520  9.1053  750.023    339.149  1060.03    468.284  408.044    491.841  38.569  10.788  26.804  10.870  11.76480       15.31429  
1 1 1 -19 75  1  o 31.466  10.774  620.870    442.049  0.0000     0.0000   620.870    442.049  ?       ?       31.466  10.774  0.000000       10.77422  
1 1 1 -19 75  2  o 23.970  10.010  178.606    433.569  0.0000     0.0000   178.606    433.569  ?       ?       23.970  10.010  0.000000       10.01031  
1 1 1 -19 75  3  o 33.810  1.9347  624.449    70.552   0.0000     0.0000   624.449    70.552   ?       ?       33.810  1.9347  0.000000       1.934667  
1 1 1 -19 75  4  o 30.952  11.042  589.276    467.346  0.0000     0.0000   589.276    467.346  ?       ?       30.952  11.042  0.000000       11.04238  
1 1 1 -19 75  5  o 51.825  3.5672  1488.88    199.015  1292.31    214.935  2670.24    526.917  48.059  4.1705  67.238  7.3553  -19.17864      8.455366  
1 1 1 -19 75  6  o 30.633  5.8869  550.292    188.225  467.302    203.854  1030.10    490.164  27.890  6.8080  39.358  11.047  -11.46871      12.97617  
1 1 1 -19 75  7  o 38.546  6.4870  875.276    261.207  875.276    261.207  0.0000     0.0000   38.546  6.4870  ?       ?       0.000000       6.486982  
1 1 1 -19 75  8  o 19.393  8.0202  105.629    274.444  105.629    274.444  0.0000     0.0000   19.393  8.0202  ?       ?       0.000000       8.020216  
1 1 1 -19 75  9  f 56.154  10.426  2043.55    610.761  2043.55    610.761  0.0000     0.0000   56.154  10.426  ?       ?       0.000000       10.42582  
1 1 1 -19 75  10 o 16.984  6.9675  81.515     204.980  -12.9095   270.480  208.908    314.173  17.253  7.5628  22.044  8.7739  -4.791201      11.58349  
1 1 1 -19 75  11 o 20.822  7.9984  206.305    253.492  -7.5257    332.017  505.157    392.512  18.965  8.3447  28.564  10.127  -9.598539      13.12234  
1 1 1 -19 75  12 f 17.696  7.4273  70.181     240.482  105.916    295.434  0.0059     414.004  19.709  8.2498  20.867  9.2430  -1.157925      12.38916  
1 1 1 -19 75  13 o 21.091  8.2782  206.050    276.078  495.099    392.639  -76.5953   388.266  28.081  10.110  19.339  8.7290  8.741709       13.35721  
1 1 1 -19 75  14 f 12.559  6.0682  -345.7717  250.186  -200.6066  325.983  -553.8284  390.261  16.346  7.6031  15.232  7.4112  1.113193       10.61755  
1 1 1 -19 75  15 o 52.986  6.0483  1657.98    340.883  1672.13    461.881  1641.06    505.188  51.146  8.6459  49.664  9.7396  1.481663       13.02350  
1 1 1 -19 75  16 o 31.881  9.0144  673.411    325.142  691.226    447.596  653.508    473.104  31.477  10.839  30.737  11.094  0.7396278      15.50975  
1 1 1 -19 76  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 76  7  o 19.886  7.5909  182.746    227.432  182.746    227.432  0.0000     0.0000   19.886  7.5909  ?       ?       0.000000       7.590908  
1 1 1 -19 76  8  o 51.106  5.8831  1509.90    319.703  1509.90    319.703  0.0000     0.0000   51.106  5.8831  ?       ?       0.000000       5.883098  
1 1 1 -19 76  9  o 55.128  9.8332  1946.26    565.603  1946.26    565.603  0.0000     0.0000   55.128  9.8332  ?       ?       0.000000       9.833233  
1 1 1 -19 76  10 o 70.584  4.0171  2782.13    305.835  2928.39    397.876  2570.92    478.129  71.731  5.1556  66.040  6.7807  5.690994       8.518119  
1 1 1 -19 76  11 o 55.536  5.1452  1763.92    305.975  1508.45    430.072  2025.75    435.405  49.278  8.3564  58.262  7.0428  -8.983379      10.92840  
1 1 1 -19 76  12 o 51.124  5.3649  1507.14    292.643  1734.41    391.296  1218.69    440.839  53.893  6.8590  43.097  9.6806  10.79562       11.86421  
1 1 1 -19 76  13 o 31.291  8.3507  626.309    288.284  897.701    401.404  337.210    414.292  36.548  9.8967  25.374  10.083  11.17384       14.12828  
1 1 1 -19 76  14 o 19.547  8.1836  112.764    290.780  111.666    409.393  113.881    413.082  21.905  9.4556  22.000  9.4973  -0.9481430E-01 13.40178  
1 1 1 -19 76  15 o 17.456  7.6575  3.7669     277.755  258.665    363.764  -352.6317  430.135  23.263  9.3781  17.606  8.3565  5.657255       12.56107  
1 1 1 -19 76  16 o 29.313  8.5821  559.669    289.901  603.225    429.820  523.319    392.659  29.835  10.596  28.265  10.118  1.569092       14.65032  
1 1 1 -19 77  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 77  10 o 39.908  5.9429  933.528    249.044  921.973    314.856  952.840    407.038  38.663  7.7880  38.053  9.8125  0.6097832      12.52750  
1 1 1 -19 77  11 o 11.163  5.4167  -316.7538  204.830  -205.3024  267.463  -474.8286  318.531  14.586  6.8185  13.818  6.7167  0.7673435      9.571108  
1 1 1 -19 77  12 o 22.186  8.1829  268.961    259.409  29.580     357.998  533.604    376.414  19.922  8.7177  28.792  9.9381  -8.869543      13.21984  
1 1 1 -19 77  13 f 18.794  7.6610  125.819    245.837  98.136     315.350  168.707    392.512  19.890  8.4347  22.442  9.4576  -2.552015      12.67239  
1 1 1 -19 77  14 f 20.318  8.3482  153.288    294.844  -210.9474  414.023  528.088    419.985  18.446  8.5762  28.542  10.429  -10.09570      13.50269  
1 1 1 -19 77  15 o 22.819  8.6001  287.356    289.590  434.097    382.498  90.276     443.276  26.576  9.9097  22.175  9.7021  4.401529       13.86839  
1 1 1 -19 78  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 78  13 o 26.631  10.178  421.967    409.136  0.0000     0.0000   421.967    409.136  ?       ?       26.631  10.178  0.000000       10.17762  
1 1 1 -19 78  14 o 48.074  9.6886  1530.69    487.044  0.0000     0.0000   1530.69    487.044  ?       ?       48.074  9.6886  0.000000       9.688583  
1 1 1 -19 79  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 79  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 80  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 81  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 82  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 83  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 84  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 85  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 86  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 86  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -19 86  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 0   1  o 88.317  4.1190  4254.41    392.060  4254.41    392.060  4254.41    392.060  88.317  4.1190  88.317  4.1190  0.000000       0.000000  
1 1 1 -18 0   2  o 70.161  4.2879  2697.47    323.056  2697.47    323.056  2697.47    323.056  70.161  4.2879  70.161  4.2879  0.000000       0.000000  
1 1 1 -18 0   3  o 18.169  9.2102  263.046    226.046  263.046    226.046  263.046    226.046  18.169  9.2102  18.169  9.2102  0.000000       0.000000  
1 1 1 -18 0   4  o 69.381  4.2868  2638.51    319.322  2638.51    319.322  2638.51    319.322  69.381  4.2868  69.381  4.2868  0.000000       0.000000  
1 1 1 -18 0   5  o 233.827 6.0672  29713.77   1534.23  29713.77   1534.23  29713.77   1534.23  233.827 6.0672  233.827 6.0672  0.000000       0.000000  
1 1 1 -18 0   6  o 131.152 4.4338  9354.62    628.191  9354.62    628.191  9354.62    628.191  131.152 4.4338  131.152 4.4338  0.000000       0.000000  
1 1 1 -18 0   7  o 87.737  4.6134  4207.02    435.634  4207.02    435.634  4207.02    435.634  87.737  4.6134  87.737  4.6134  0.000000       0.000000  
1 1 1 -18 0   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 0   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 0   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 0   11 o 20.315  11.239  309.102    361.928  309.102    361.928  309.102    361.928  20.315  11.239  20.315  11.239  0.000000       0.000000  
1 1 1 -18 0   12 o 54.493  6.7156  1683.84    380.208  1683.84    380.208  1683.84    380.208  54.493  6.7156  54.493  6.7156  0.000000       0.000000  
1 1 1 -18 0   13 o 35.748  8.4344  799.547    283.623  799.547    283.623  799.547    283.623  35.748  8.4344  35.748  8.4344  0.000000       0.000000  
1 1 1 -18 0   14 o 59.091  4.6127  1928.15    291.081  1928.15    291.081  1928.15    291.081  59.091  4.6127  59.091  4.6127  0.000000       0.000000  
1 1 1 -18 0   15 o 115.328 4.2832  7243.92    533.355  7243.92    533.355  7243.92    533.355  115.328 4.2832  115.328 4.2832  0.000000       0.000000  
1 1 1 -18 0   16 o 193.691 5.4308  20426.71   1137.30  20426.71   1137.30  20426.71   1137.30  193.691 5.4308  193.691 5.4308  0.000000       0.000000  
1 1 1 -18 0   17 o 157.325 4.8202  13481.78   819.621  13481.78   819.621  13481.78   819.621  157.325 4.8202  157.325 4.8202  0.000000       0.000000  
1 1 1 -18 0   18 o 12.298  7.6209  58.192     202.039  58.192     202.039  58.192     202.039  12.298  7.6209  12.298  7.6209  0.000000       0.000000  
1 1 1 -18 0   19 f 21.603  9.1519  362.451    216.875  362.451    216.875  362.451    216.875  21.603  9.1519  21.603  9.1519  0.000000       0.000000  
1 1 1 -18 0   20 o 15.718  8.6014  191.063    209.377  191.063    209.377  191.063    209.377  15.718  8.6014  15.718  8.6014  0.000000       0.000000  
1 1 1 -18 0   21 o 87.963  4.4403  4244.66    420.577  4244.66    420.577  4244.66    420.577  87.963  4.4403  87.963  4.4403  0.000000       0.000000  
1 1 1 -18 0   22 o 37.868  8.1249  888.663    292.575  888.663    292.575  888.663    292.575  37.868  8.1249  37.868  8.1249  0.000000       0.000000  
1 1 1 -18 0   23 o 11.044  7.4674  -118.0476  262.449  -118.0476  262.449  -118.0476  262.449  11.044  7.4674  11.044  7.4674  0.000000       0.000000  
1 1 1 -18 0   24 f 19.175  10.156  303.128    283.119  303.128    283.119  303.128    283.119  19.175  10.156  19.175  10.156  0.000000       0.000000  
1 1 1 -18 0   25 o 20.916  10.448  368.753    288.564  368.753    288.564  368.753    288.564  20.916  10.448  20.916  10.448  0.000000       0.000000  
1 1 1 -18 0   26 f 18.605  10.174  286.080    292.661  286.080    292.661  286.080    292.661  18.605  10.174  18.605  10.174  0.000000       0.000000  
1 1 1 -18 0   27 o 1.9756  1.4626  -88.7249   25.354   -88.7249   25.354   -88.7249   25.354   1.9756  1.4626  1.9756  1.4626  0.000000       0.000000  
1 1 1 -18 0   28 o 99.668  5.0004  5549.09    536.698  5549.09    536.698  5549.09    536.698  99.668  5.0004  99.668  5.0004  0.000000       0.000000  
1 1 1 -18 0   29 o 82.905  5.1155  3891.31    455.340  3891.31    455.340  3891.31    455.340  82.905  5.1155  82.905  5.1155  0.000000       0.000000  
1 1 1 -18 0   30 o 16.413  11.175  -98.7504   608.713  -98.7504   608.713  -98.7504   608.713  16.413  11.175  16.413  11.175  0.000000       0.000000  
1 1 1 -18 0   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 1   1  o 155.805 3.8801  13162.22   654.781  14294.37   1130.22  12590.28   803.326  162.197 6.4335  152.330 4.8690  9.867249       8.068287  
1 1 1 -18 1   2  o 298.243 5.2858  48277.95   1707.47  47328.45   2415.82  49225.73   2413.64  294.952 7.5621  300.833 7.4076  -5.881500      10.58573  
1 1 1 -18 1   3  o 156.914 3.3772  13346.24   573.976  13444.91   805.927  13244.68   817.648  157.424 4.7267  156.241 4.8317  1.182907       6.759205  
1 1 1 -18 1   4  o 181.964 3.5807  17949.86   705.705  18159.44   1001.39  17743.09   994.681  182.930 5.0542  180.818 5.0789  2.111023       7.165181  
1 1 1 -18 1   5  o 146.632 3.2246  11653.86   512.119  12239.19   729.433  11084.89   719.167  150.210 4.4835  142.943 4.6451  7.267258       6.455931  
1 1 1 -18 1   6  o 119.187 3.6774  7701.82    474.719  7502.20    572.495  8141.17    849.322  117.600 4.4946  122.229 6.4382  -4.629089      7.851874  
1 1 1 -18 1   7  o 123.065 4.4859  8215.98    597.938  7609.87    803.206  8969.44    895.532  118.173 6.2981  128.303 6.4650  -10.13043      9.025643  
1 1 1 -18 1   8  o 70.789  4.9741  2733.03    378.950  2493.11    471.224  3172.21    637.550  67.410  6.5362  75.927  7.8668  -8.517128      10.22781  
1 1 1 -18 1   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 1   10 o 110.290 4.7096  6601.86    562.583  6843.72    827.290  6393.80    767.316  111.948 6.8560  108.229 6.5769  3.719154       9.500552  
1 1 1 -18 1   11 o 247.383 6.6837  33300.57   1790.84  31168.41   2562.45  35336.29   2503.82  238.652 9.9133  254.319 9.0898  -15.66681      13.44987  
1 1 1 -18 1   12 o 69.343  5.3317  2627.78    397.372  1891.65    657.751  3050.87    498.659  57.794  10.908  74.636  6.2254  -16.84162      12.55913  
1 1 1 -18 1   13 o 161.089 3.4314  14074.10   598.694  14179.13   854.446  13972.81   839.125  161.564 4.8828  160.390 4.8304  1.174622       6.868338  
1 1 1 -18 1   14 o 158.627 3.4005  13649.63   584.240  14573.33   834.420  12761.29   818.296  163.781 4.7038  153.237 4.9303  10.54428       6.814253  
1 1 1 -18 1   15 o 96.445  3.0501  5045.31    318.608  5707.23    477.831  4515.44    427.516  102.496 4.3042  91.167  4.3296  11.32934       6.105056  
1 1 1 -18 1   16 o 42.234  3.8933  977.155    176.090  1154.32    249.586  801.566    248.475  45.763  5.1233  37.826  6.2855  7.937077       8.109018  
1 1 1 -18 1   17 o 100.543 2.9509  5486.79    321.349  5483.00    454.449  5490.58    454.464  100.395 4.1793  100.465 4.1765  -0.6967926E-01 5.908461  
1 1 1 -18 1   18 o 56.269  3.2472  1726.15    197.061  2059.12    278.925  1394.31    278.449  61.344  4.2238  50.263  5.1894  11.08046       6.691086  
1 1 1 -18 1   19 o 76.991  2.9577  3221.39    246.638  3336.07    348.849  3106.77    348.749  78.112  4.1381  75.345  4.2913  2.767647       5.961462  
1 1 1 -18 1   20 o 53.781  3.3727  1580.96    195.464  1661.32    279.951  1504.52    273.033  54.892  4.7557  52.191  4.8870  2.701294       6.819031  
1 1 1 -18 1   21 o 70.693  3.2512  2722.20    248.941  3139.13    356.271  2324.43    347.986  75.616  4.3687  64.887  4.9897  10.72890       6.631959  
1 1 1 -18 1   22 o 31.791  6.0113  577.676    199.407  625.876    281.785  529.326    282.222  32.682  8.0204  30.102  8.3588  2.580078       11.58432  
1 1 1 -18 1   23 o 30.322  1.9685  501.470    64.299   739.168    311.659  490.903    65.713   35.373  8.2808  29.992  2.0349  5.381428       8.527146  
1 1 1 -18 1   24 o 73.459  3.4242  2953.30    272.443  3515.66    386.319  2396.88    384.272  79.729  4.4919  65.439  5.4719  14.28997       7.079484  
1 1 1 -18 1   25 o 32.239  6.2354  603.883    209.857  555.259    297.740  651.887    295.836  30.370  8.6397  32.892  8.3031  -2.521355      11.98278  
1 1 1 -18 1   26 o 33.517  6.1747  654.798    215.893  647.363    306.394  662.130    304.256  32.510  8.5773  32.903  8.4833  -0.3927383     12.06380  
1 1 1 -18 1   27 o 49.173  2.3275  1319.84    123.962  1518.77    359.511  1292.99    132.061  50.977  6.6713  48.574  2.5188  2.403053       7.130990  
1 1 1 -18 1   28 o 39.385  5.6747  906.923    235.084  957.660    333.534  856.835    331.393  39.075  8.1448  36.689  8.5052  2.386417       11.77612  
1 1 1 -18 1   29 o 39.025  6.0179  918.259    246.187  1029.52    358.239  818.692    338.888  39.373  8.6380  34.738  8.9513  4.634766       12.43946  
1 1 1 -18 1   30 o 21.217  9.2021  147.630    391.435  925.580    636.527  -325.4847  496.392  32.649  12.638  18.586  8.8656  14.06239       15.43758  
1 1 1 -18 1   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 2   1  o 176.521 4.1875  16898.29   800.609  16628.56   1386.28  17033.27   980.688  174.854 7.3199  177.164 5.1108  -2.309280      8.927522  
1 1 1 -18 2   2  o 306.944 6.2588  51181.80   2080.74  51735.86   3601.20  50904.14   2549.34  307.650 10.807  305.866 7.6953  1.784637       13.26715  
1 1 1 -18 2   3  o 213.367 4.0611  24687.13   938.516  23245.23   1325.26  26137.76   1329.27  206.890 5.9141  219.417 5.5934  -12.52727      8.140203  
1 1 1 -18 2   4  o 113.010 2.9879  6921.32    365.721  6873.93    514.562  6969.70    519.895  112.582 4.2199  113.363 4.2342  -0.7810211     5.977934  
1 1 1 -18 2   5  o 84.135  3.5196  3837.41    320.736  3594.01    375.877  4489.25    615.120  81.291  4.2842  90.683  6.3019  -9.391655      7.620265  
1 1 1 -18 2   6  o 98.875  4.3926  5302.95    470.409  5476.98    614.715  5057.01    730.748  100.270 5.6836  96.176  7.0645  4.094254       9.066978  
1 1 1 -18 2   7  o 91.824  4.3275  4573.58    430.388  4259.66    578.534  4962.62    644.044  88.340  6.0835  95.362  6.2705  -7.021523      8.736605  
1 1 1 -18 2   8  o 201.865 5.5572  22128.48   1215.04  21134.79   1690.53  23190.32   1747.53  197.003 7.9228  206.376 7.8180  -9.372879      11.13067  
1 1 1 -18 2   9  o 146.397 3.4232  11619.32   542.799  11323.12   759.847  11927.97   775.663  144.439 4.8570  148.249 4.8307  -3.809326      6.850295  
1 1 1 -18 2   10 o 276.837 7.1436  41713.68   2141.95  41055.49   3052.11  42352.45   3006.75  273.905 10.288  278.284 9.9756  -4.379150      14.33021  
1 1 1 -18 2   11 o 208.689 5.7231  23668.12   1293.60  24706.24   1852.73  22680.61   1806.99  212.855 8.0363  203.917 8.1815  8.938019       11.46817  
1 1 1 -18 2   12 o 41.369  5.8732  948.831    255.767  1708.32    460.970  611.025    307.430  55.421  7.9032  32.849  8.5558  22.57207       11.64739  
1 1 1 -18 2   13 o 129.384 4.3710  9087.80    612.540  0.0000     0.0000   9087.80    612.540  ?       ?       129.384 4.3710  0.000000       4.371036  
1 1 1 -18 2   14 o 54.892  3.5359  1641.46    209.103  1963.50    321.687  1405.84    275.165  59.898  5.0043  50.603  5.0895  9.295296       7.137702  
1 1 1 -18 2   15 o 171.854 3.5631  16028.88   663.227  16892.22   950.615  15210.07   925.768  176.240 4.9800  167.216 5.1116  9.024094       7.136425  
1 1 1 -18 2   16 o 157.320 3.3677  13434.75   573.837  15031.51   821.947  11916.46   801.497  166.243 4.5649  147.954 5.0015  18.28850       6.771526  
1 1 1 -18 2   17 o 165.777 3.4846  14929.67   625.678  15805.96   885.451  14055.79   884.234  170.334 4.7995  160.569 5.0844  9.765060       6.991829  
1 1 1 -18 2   18 f 16.422  6.1021  113.908    144.785  288.079    204.575  -60.8819   204.938  23.039  7.3049  14.782  6.5276  8.257390       9.796489  
1 1 1 -18 2   19 o 146.053 3.2788  11601.97   518.673  11405.24   733.488  11798.72   733.541  144.487 4.6870  146.980 4.6078  -2.492737      6.572683  
1 1 1 -18 2   20 o 97.013  2.9672  5118.25    311.781  5007.15    444.912  5225.45    437.043  95.735  4.2907  97.832  4.1245  -2.097054      5.951636  
1 1 1 -18 2   21 o 47.534  4.1335  1244.20    210.689  866.061    292.610  1651.32    303.614  38.860  7.2178  54.578  5.1990  -15.71766      8.895237  
1 1 1 -18 2   22 o 17.807  6.9669  111.531    195.042  94.592     265.205  131.485    287.845  19.513  7.9559  20.829  8.3614  -1.315639      11.54165  
1 1 1 -18 2   23 o 25.905  7.1779  389.374    208.347  271.068    309.130  487.843    282.027  24.016  8.9178  28.905  8.4653  -4.889490      12.29592  
1 1 1 -18 2   24 o 41.638  2.2721  946.035    102.079  913.607    108.032  1216.17    311.803  40.890  2.4506  46.149  6.4112  -5.259197      6.863561  
1 1 1 -18 2   25 o 16.060  6.7325  37.546     197.213  87.392     280.427  -11.2300   277.399  19.545  8.0971  17.821  7.7378  1.724768       11.19984  
1 1 1 -18 2   26 o 22.992  7.4041  303.130    209.543  237.480    298.884  366.590    293.858  22.695  8.6928  25.464  8.7814  -2.768623      12.35626  
1 1 1 -18 2   27 o 18.833  1.5057  193.945    30.458   106.004    322.295  194.738    30.595   20.622  8.6231  18.872  1.5094  1.750780       8.754218  
1 1 1 -18 2   28 o 27.465  7.4365  468.098    226.655  325.188    327.963  598.760    313.596  24.262  9.1503  30.457  8.9285  -6.194185      12.78460  
1 1 1 -18 2   29 o 54.719  4.7001  1726.61    275.852  1815.94    390.543  1637.68    389.685  54.430  6.7710  51.273  7.2168  3.156876       9.895906  
1 1 1 -18 2   30 o 29.703  9.9167  644.051    374.390  735.048    551.878  566.468    509.582  30.363  11.764  27.951  11.159  2.411552       16.21412  
1 1 1 -18 2   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 2   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 3   1  o 219.636 4.8361  26173.49   1150.45  27310.70   1989.96  25602.58   1409.96  223.963 8.2035  217.118 5.9957  6.845016       10.16096  
1 1 1 -18 3   2  o 231.000 4.9749  28955.02   1244.69  29671.54   2154.27  28595.96   1525.00  233.395 8.5219  229.445 6.1365  3.949890       10.50144  
1 1 1 -18 3   3  o 108.035 3.5254  6327.01    412.512  5935.90    710.743  6525.68    506.564  104.338 6.3191  109.692 4.2637  -5.354683      7.622992  
1 1 1 -18 3   4  o 133.405 3.6293  9648.26    524.405  9184.38    635.046  10642.68   929.797  130.121 4.5060  139.973 6.1330  -9.852081      7.610335  
1 1 1 -18 3   5  o 32.995  7.7321  616.224    271.495  552.588    336.794  734.314    458.795  31.565  9.2527  36.417  10.832  -4.851665      14.24607  
1 1 1 -18 3   6  o 333.515 8.1664  60575.95   2949.95  58721.33   4162.04  62448.18   4181.75  327.399 11.737  337.728 11.432  -10.32889      16.38437  
1 1 1 -18 3   7  o 52.851  6.1440  1537.88    345.134  1374.83    439.266  1800.93    557.929  49.547  8.4909  56.713  9.4130  -7.166149      12.67674  
1 1 1 -18 3   8  o 79.730  3.3522  3446.03    289.486  3295.20    403.952  3605.28    415.065  77.776  4.8190  81.375  4.7297  -3.598633      6.752260  
1 1 1 -18 3   9  o 297.004 5.1688  47890.29   1662.74  48880.98   2354.45  46904.59   2348.51  299.699 7.2533  293.551 7.3865  6.147919       10.35232  
1 1 1 -18 3   10 o 188.124 3.7589  19192.75   765.896  18926.71   1077.16  19464.79   1089.22  186.684 5.3273  189.320 5.3119  -2.636566      7.523019  
1 1 1 -18 3   11 o 79.282  4.1676  3419.78    356.624  3613.23    529.130  3258.76    482.742  81.300  6.0523  77.215  5.8149  4.084518       8.393066  
1 1 1 -18 3   12 o 222.316 5.9984  26876.50   1444.37  25580.40   2049.73  28154.83   2035.63  216.389 8.7457  227.120 8.2751  -10.73132      12.04010  
1 1 1 -18 3   13 o 45.616  5.3401  1146.31    258.847  987.853    418.855  1244.21    329.243  41.655  9.4949  47.352  6.5990  -5.696472      11.56285  
1 1 1 -18 3   14 o 122.345 4.3285  8128.20    573.575  0.0000     0.0000   8128.20    573.575  ?       ?       122.345 4.3285  0.000000       4.328472  
1 1 1 -18 3   15 o 163.092 3.4547  14434.26   610.252  15539.63   876.991  13396.60   849.708  169.063 4.7894  156.945 4.9986  12.11722       6.922733  
1 1 1 -18 3   16 o 165.686 3.4980  14904.57   627.738  15479.72   896.569  14351.49   879.196  168.645 4.9084  162.367 4.9994  6.277222       7.006164  
1 1 1 -18 3   17 o 63.648  3.3156  2206.07    227.775  2402.70    345.536  2054.96    302.904  66.232  4.8505  61.262  4.5986  4.969845       6.683855  
1 1 1 -18 3   18 o 38.482  3.8058  813.500    156.548  887.346    235.547  755.075    209.515  39.898  5.6053  36.783  5.4215  3.115673       7.798251  
1 1 1 -18 3   19 o 52.102  3.4344  1483.41    192.721  1568.96    275.590  1401.53    269.607  53.365  4.8200  50.378  5.0074  2.987015       6.950314  
1 1 1 -18 3   20 o 55.475  3.3715  1681.75    201.616  1488.41    290.939  1860.38    279.652  51.828  5.2555  58.166  4.4732  -6.337982      6.901460  
1 1 1 -18 3   21 o 75.661  3.2564  3118.36    266.855  3018.52    374.699  3221.11    380.141  74.064  4.6952  76.541  4.6069  -2.476616      6.577912  
1 1 1 -18 3   22 o 101.249 3.2035  5589.46    351.301  5575.61    489.790  5604.14    504.152  100.796 4.4864  101.017 4.6079  -0.2209625     6.431177  
1 1 1 -18 3   23 o 172.545 3.6628  16288.03   684.517  16342.62   973.726  16234.70   962.480  171.933 5.2289  171.393 5.1847  0.5392303      7.363605  
1 1 1 -18 3   24 o 141.430 3.3972  10945.73   520.398  11083.02   743.964  10814.19   728.197  141.555 4.8524  139.855 4.8073  1.700241       6.830523  
1 1 1 -18 3   25 o 40.627  5.2927  934.562    227.368  1086.79    334.975  804.516    309.613  43.022  7.4591  36.679  8.0173  6.343319       10.95060  
1 1 1 -18 3   26 o 111.994 3.3427  6888.02    405.471  6159.71    584.600  7563.19    562.862  104.917 5.1445  116.730 4.4519  -11.81309      6.803330  
1 1 1 -18 3   27 o 37.962  1.6447  783.522    67.622   466.437    317.376  798.601    69.211   27.764  9.1240  38.323  1.6674  -10.55888      9.275128  
1 1 1 -18 3   28 o 47.831  4.8941  1308.31    249.974  1154.05    366.883  1441.98    341.513  42.953  8.1849  49.249  6.5660  -6.295422      10.49307  
1 1 1 -18 3   29 o 23.452  7.9610  345.679    241.321  -32.8811   373.302  617.453    316.298  18.982  8.5642  30.091  9.0040  -11.10957      12.42651  
1 1 1 -18 3   30 o 25.009  10.825  324.213    539.567  324.213    539.567  0.0000     0.0000   25.009  10.825  ?       ?       0.000000       10.82535  
1 1 1 -18 3   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 3   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 4   1  o 214.541 4.7366  24971.43   1100.65  25853.29   1345.51  23187.83   1913.53  218.209 5.6930  206.316 8.5631  11.89270       10.28288  
1 1 1 -18 4   2  o 184.302 4.2850  18422.03   855.365  18240.72   1483.59  18512.30   1046.88  183.117 7.4802  184.686 5.2335  -1.568741      9.129251  
1 1 1 -18 4   3  o 288.649 7.1911  45308.61   2248.21  41989.80   3174.39  48648.71   3184.55  277.211 10.573  298.559 9.8480  -21.34808      14.44859  
1 1 1 -18 4   4  o 197.147 5.3237  21096.92   1136.78  19006.62   1590.43  23280.26   1625.43  186.873 7.8577  206.895 7.2535  -20.02113      10.69381  
1 1 1 -18 4   5  o 321.729 7.9514  56348.13   2770.80  55421.89   3910.54  57281.95   3926.53  318.220 11.346  323.558 11.204  -5.338074      15.94577  
1 1 1 -18 4   6  o 180.666 5.1958  17716.50   1016.72  17667.59   1425.17  17767.19   1450.90  180.217 7.3013  180.712 7.4128  -0.4948730     10.40472  
1 1 1 -18 4   7  o 215.297 3.9839  25136.82   928.995  25836.91   1316.90  24443.30   1310.72  218.131 5.5740  212.153 5.7041  5.977798       7.975348  
1 1 1 -18 4   8  o 123.408 3.1710  8254.94    423.852  7871.12    589.104  8666.86    610.293  120.450 4.5156  126.394 4.4580  -5.944809      6.345440  
1 1 1 -18 4   9  o 143.146 3.3429  11108.40   518.293  11111.90   724.461  11104.73   741.800  143.097 4.6743  143.044 4.7879  0.5334473E-01  6.691282  
1 1 1 -18 4   10 o 136.055 3.1994  10034.88   471.473  9810.25    655.096  10276.25   679.078  134.457 4.4983  137.609 4.5562  -3.152817      6.402640  
1 1 1 -18 4   11 o 178.890 3.6309  17355.24   703.519  17671.18   815.742  16438.09   1389.86  180.470 4.1733  173.712 7.3870  6.757584       8.484359  
1 1 1 -18 4   12 o 128.834 4.4425  9009.16    619.905  8807.65    893.424  9196.23    860.841  127.055 6.5142  130.033 6.1122  -2.978035      8.932729  
1 1 1 -18 4   13 o 50.568  4.9083  1402.07    265.442  2434.09    426.773  750.933    338.991  66.625  5.9777  36.341  8.7230  30.28367       10.57472  
1 1 1 -18 4   14 o 69.351  4.2738  2621.46    319.464  0.0000     0.0000   2621.46    319.464  ?       ?       69.351  4.2738  0.000000       4.273837  
1 1 1 -18 4   15 o 39.016  5.9672  848.212    244.153  0.0000     0.0000   848.212    244.153  ?       ?       39.016  5.9672  0.000000       5.967221  
1 1 1 -18 4   16 o 74.735  4.2541  3046.00    342.926  0.0000     0.0000   3046.00    342.926  ?       ?       74.735  4.2541  0.000000       4.254059  
1 1 1 -18 4   17 o 70.149  3.2029  2672.06    243.351  2214.65    364.674  3039.27    326.743  63.491  5.3529  74.645  4.0567  -11.15385      6.716409  
1 1 1 -18 4   18 f 109.437 3.0294  6505.29    359.080  7155.41    522.994  5925.52    493.888  114.616 4.2129  104.279 4.3728  10.33757       6.072070  
1 1 1 -18 4   19 o 120.548 3.0797  7899.81    402.102  8841.62    583.426  7047.67    554.957  127.316 4.2309  113.613 4.5099  13.70301       6.183796  
1 1 1 -18 4   20 o 41.097  2.1750  919.277    96.470   851.173    104.570  1308.51    249.989  39.512  2.4556  48.657  4.8064  -9.144466      5.397397  
1 1 1 -18 4   21 o 131.078 3.2471  9359.15    460.990  8900.62    644.078  9840.77    660.094  127.432 4.6665  134.034 4.5470  -6.601791      6.515433  
1 1 1 -18 4   22 o 73.544  3.4286  2952.06    273.112  2766.63    378.312  3153.90    394.687  70.730  4.9698  75.577  4.8472  -4.846718      6.942216  
1 1 1 -18 4   23 o 30.004  6.6808  522.674    211.533  317.368    312.652  695.990    287.263  25.062  9.0222  34.405  7.8784  -9.343019      11.97786  
1 1 1 -18 4   24 o 67.123  3.7126  2477.71    268.860  2197.99    393.415  2722.83    368.279  62.484  5.8824  69.992  4.8887  -7.508545      7.648687  
1 1 1 -18 4   25 f 82.771  2.9982  3746.00    268.791  4118.96    448.114  3536.40    335.934  86.017  4.8294  80.168  3.8688  5.848373       6.188008  
1 1 1 -18 4   26 o 48.102  2.5154  1266.39    130.596  1193.54    140.331  1737.44    356.856  46.637  2.7910  55.086  6.0826  -8.449142      6.692332  
1 1 1 -18 4   27 o ?       ?       -180.2748  25.872   294.892    311.070  -183.5847  25.962   23.883  8.9305  ?       ?       0.000000       8.930492  
1 1 1 -18 4   28 o 30.727  7.1409  581.218    233.132  328.034    346.780  790.010    314.914  24.516  9.3698  35.250  8.3726  -10.73376      12.56558  
1 1 1 -18 4   29 o 27.012  7.6787  472.718    235.275  369.471    351.317  556.680    316.810  24.599  9.4239  28.597  9.0930  -3.998062      13.09556  
1 1 1 -18 4   30 o 18.807  9.0109  -368.9031  525.112  -368.9031  525.112  0.0000     0.0000   18.807  9.0109  ?       ?       0.000000       9.010865  
1 1 1 -18 4   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 4   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 5   1  o 253.078 5.2922  34763.75   1450.65  35765.65   1775.46  32751.65   2516.06  256.567 6.3891  245.036 9.4803  11.53046       11.43226  
1 1 1 -18 5   2  o 290.702 5.9713  45896.38   1880.12  46525.31   2301.10  44633.35   3260.91  292.487 7.2637  285.814 10.534  6.673126       12.79543  
1 1 1 -18 5   3  o 255.109 9.3732  35493.82   2589.91  0.0000     0.0000   35493.82   2589.91  ?       ?       255.109 9.3732  0.000000       9.373210  
1 1 1 -18 5   4  o 296.342 10.568  47990.20   3391.90  0.0000     0.0000   47990.20   3391.90  ?       ?       296.342 10.568  0.000000       10.56769  
1 1 1 -18 5   5  o 154.662 4.6599  12977.35   780.599  11696.59   1074.80  14407.02   1135.57  146.686 6.7650  162.826 6.4390  -16.13982      9.339520  
1 1 1 -18 5   6  o 186.874 3.7112  18934.09   751.162  19547.06   1067.88  18333.76   1056.81  189.770 5.1955  183.776 5.3093  5.993149       7.428451  
1 1 1 -18 5   7  o 219.326 4.1769  26090.19   992.246  26994.02   1402.23  25183.74   1404.26  222.936 5.8072  215.307 6.0217  7.628586       8.365699  
1 1 1 -18 5   8  o 201.160 3.9451  21944.57   859.553  20965.96   1207.10  22951.23   1224.27  196.479 5.6723  205.589 5.4980  -9.109741      7.899556  
1 1 1 -18 5   9  o 190.181 3.8457  19614.45   792.156  19557.22   1110.63  19673.71   1130.18  189.775 5.4033  190.331 5.4824  -0.5566711     7.697541  
1 1 1 -18 5   10 o 198.176 3.9402  21301.91   845.737  21397.25   1193.17  21205.63   1198.96  198.468 5.5506  197.572 5.6029  0.8964081      7.886787  
1 1 1 -18 5   11 o 94.664  2.9986  4857.72    307.451  4641.45    360.218  5437.96    590.036  92.513  3.5949  99.896  5.4741  -7.383255      6.549028  
1 1 1 -18 5   12 o 311.531 5.4773  52740.56   1848.17  53707.14   2135.88  49860.27   3687.03  314.204 6.2762  301.218 11.301  12.98593       12.92706  
1 1 1 -18 5   13 o 118.700 3.6340  7643.35    467.203  8241.08    584.809  6588.79    776.777  123.206 4.3824  109.803 6.5615  13.40314       7.890418  
1 1 1 -18 5   14 o 137.694 4.4856  10298.07   668.977  0.0000     0.0000   10298.07   668.977  ?       ?       137.694 4.4856  0.000000       4.485646  
1 1 1 -18 5   15 o 106.105 4.3044  6116.51    494.677  0.0000     0.0000   6116.51    494.677  ?       ?       106.105 4.3044  0.000000       4.304437  
1 1 1 -18 5   16 o 88.818  4.1595  4287.74    400.143  0.0000     0.0000   4287.74    400.143  ?       ?       88.818  4.1595  0.000000       4.159536  
1 1 1 -18 5   17 o 70.436  4.2911  2709.60    325.804  0.0000     0.0000   2709.60    325.804  ?       ?       70.436  4.2911  0.000000       4.291108  
1 1 1 -18 5   18 o 78.491  3.1067  3346.95    264.110  3650.90    396.104  3103.65    354.385  81.716  4.4927  75.345  4.3612  6.370537       6.261352  
1 1 1 -18 5   19 o 85.578  3.0573  3981.12    283.380  4065.40    419.380  3910.31    384.418  86.173  4.5090  84.672  4.1917  1.500153       6.156422  
1 1 1 -18 5   20 o 102.257 3.0196  5687.64    334.440  6234.96    489.333  5207.86    458.146  106.839 4.2287  97.623  4.3329  9.216599       6.054411  
1 1 1 -18 5   21 f 61.356  2.5357  2046.03    168.508  2003.62    195.112  2170.51    334.276  60.677  2.9689  62.691  4.9636  -2.014210      5.783722  
1 1 1 -18 5   22 o 22.826  7.2163  289.498    199.755  257.938    274.251  325.161    291.531  23.166  8.4334  25.010  8.7396  -1.844589      12.14511  
1 1 1 -18 5   23 o 35.922  5.5157  730.393    207.741  939.938    296.228  527.606    291.412  40.383  7.0280  29.963  8.5556  10.41925       11.07208  
1 1 1 -18 5   24 o 110.208 3.2544  6641.04    388.466  6792.63    561.652  6502.02    537.869  110.896 4.6761  108.543 4.5751  2.352951       6.541957  
1 1 1 -18 5   25 o 23.802  2.1322  310.737    54.385   618.337    325.128  301.882    55.162   31.916  9.0106  23.448  2.1977  8.468092       9.274745  
1 1 1 -18 5   26 o 41.384  5.3764  975.368    235.295  759.474    326.900  1207.46    338.941  35.185  8.6410  45.342  7.1376  -10.15759      11.20768  
1 1 1 -18 5   27 o 44.973  5.2121  1152.50    249.175  1097.50    355.215  1205.78    349.626  42.516  8.0076  44.924  7.4462  -2.408619      10.93468  
1 1 1 -18 5   28 o 35.438  6.6262  757.054    244.982  402.770    379.923  1009.20    320.516  26.232  9.8576  40.457  7.5935  -14.22428      12.44317  
1 1 1 -18 5   29 o 23.665  7.8135  354.598    232.650  604.792    347.291  150.911    313.355  29.511  9.5349  20.258  8.4890  9.253471       12.76631  
1 1 1 -18 5   30 o 40.289  13.706  1522.83    715.323  1522.83    715.323  0.0000     0.0000   40.289  13.706  ?       ?       0.000000       13.70615  
1 1 1 -18 5   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 5   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 6   1  o 213.102 4.6760  24636.55   1079.27  23981.87   1318.22  25967.71   1879.70  210.152 5.7914  218.420 7.9456  -8.267853      9.832209  
1 1 1 -18 6   2  o 521.954 17.828  151313.91  10078.77 151313.91  10078.77 0.0000     0.0000   521.954 17.828  ?       ?       0.000000       17.82810  
1 1 1 -18 6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 6   4  o 245.488 9.0824  32855.86   2414.91  0.0000     0.0000   32855.86   2414.91  ?       ?       245.488 9.0824  0.000000       9.082393  
1 1 1 -18 6   5  o 160.245 3.3763  13919.36   585.993  13645.24   827.067  14195.69   830.382  158.582 4.8152  161.753 4.7397  -3.171844      6.756591  
1 1 1 -18 6   6  o 251.483 4.5594  34310.00   1241.91  34877.97   1756.42  33742.15   1756.23  253.340 6.4011  249.166 6.5076  4.173676       9.128148  
1 1 1 -18 6   7  o 103.789 3.0676  5838.40    344.836  5447.53    472.533  6283.72    504.366  100.213 4.3535  107.631 4.3265  -7.417938      6.137745  
1 1 1 -18 6   8  o 257.306 4.6722  35924.23   1302.10  35211.16   1835.62  36646.44   1847.34  254.484 6.6597  259.633 6.5693  -5.148697      9.354477  
1 1 1 -18 6   9  o 122.476 3.1369  8130.96    416.118  7910.49    569.348  8383.78    609.680  120.752 4.3532  124.303 4.5285  -3.550812      6.281545  
1 1 1 -18 6   10 o 121.482 3.0656  7999.67    403.368  7835.34    468.986  8466.77    790.685  120.206 3.6022  124.823 5.8484  -4.616653      6.868762  
1 1 1 -18 6   11 o 189.128 3.7975  19401.45   777.906  19352.85   901.629  19542.99   1538.64  188.839 4.4082  189.386 7.5010  -0.5463409     8.700425  
1 1 1 -18 6   12 o 115.396 3.0950  7219.38    386.825  7209.67    453.606  7245.25    740.655  115.294 3.6325  115.278 5.9523  0.1576233E-01  6.973128  
1 1 1 -18 6   13 o 243.989 4.4862  32323.44   1185.55  33132.07   1370.90  29924.76   2361.11  246.923 5.1259  233.747 9.3261  13.17574       10.64195  
1 1 1 -18 6   14 o 259.212 4.6949  36506.21   1318.10  37068.88   1524.69  34841.69   2622.42  261.067 5.3921  251.929 9.6107  9.137573       11.01997  
1 1 1 -18 6   15 o 328.476 8.1723  59114.67   2907.51  0.0000     0.0000   59114.67   2907.51  ?       ?       328.476 8.1723  0.000000       8.172347  
1 1 1 -18 6   16 o 170.815 5.0263  15886.53   929.919  0.0000     0.0000   15886.53   929.919  ?       ?       170.815 5.0263  0.000000       5.026309  
1 1 1 -18 6   17 o 102.816 4.2369  5751.99    471.826  0.0000     0.0000   5751.99    471.826  ?       ?       102.816 4.2369  0.000000       4.236927  
1 1 1 -18 6   18 o 187.503 5.3319  19218.39   1082.84  0.0000     0.0000   19218.39   1082.84  ?       ?       187.503 5.3319  0.000000       5.331944  
1 1 1 -18 6   19 f 129.649 3.6595  9152.72    513.876  9297.62    915.638  9086.10    620.875  129.744 6.5368  129.010 4.4433  0.7342224      7.903956  
1 1 1 -18 6   20 o 24.276  6.6395  336.437    179.611  327.786    276.237  342.773    236.407  25.011  8.5173  24.893  7.8484  0.1172237      11.58200  
1 1 1 -18 6   21 o 65.951  3.5893  2379.40    255.427  2529.38    377.592  2252.85    346.823  67.642  5.1935  63.851  5.0564  3.791527       7.248437  
1 1 1 -18 6   22 o 97.561  3.3387  5193.06    352.797  5862.29    541.714  4700.15    464.907  103.234 4.8448  92.378  4.6616  10.85579       6.723274  
1 1 1 -18 6   23 o 55.708  3.9016  1708.39    233.931  1946.75    334.779  1480.95    327.014  59.103  5.2855  51.268  6.0028  7.835739       7.998120  
1 1 1 -18 6   24 o 78.803  3.3846  3398.20    288.880  3134.50    412.529  3651.95    404.662  75.029  5.1068  81.207  4.6199  -6.178131      6.886404  
1 1 1 -18 6   25 o 21.750  1.1900  257.336    27.927   394.547    39.543   120.796    39.447   26.931  1.3601  14.672  2.5763  12.25890       2.913283  
1 1 1 -18 6   26 o 31.271  6.6652  577.855    218.851  345.785    320.719  780.078    299.385  25.290  9.1332  35.958  7.9027  -10.66779      12.07760  
1 1 1 -18 6   27 o 35.541  6.1982  740.398    229.923  730.279    342.475  748.701    310.231  34.054  9.1080  34.806  8.3388  -0.7517815     12.34869  
1 1 1 -18 6   28 o 58.036  4.5687  1909.99    284.863  1932.00    421.043  1891.41    386.841  56.724  7.0017  56.543  6.4310  0.1811371      9.506983  
1 1 1 -18 6   29 f 38.032  2.0148  793.962    82.700   578.396    363.513  805.727    84.926   28.829  9.7708  38.303  2.0546  -9.474665      9.984529  
1 1 1 -18 6   30 o 35.594  12.419  1092.45    588.541  1092.45    588.541  0.0000     0.0000   35.594  12.419  ?       ?       0.000000       12.41877  
1 1 1 -18 6   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 6   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 7   1  o 76.782  4.0576  3205.89    336.246  3181.86    453.991  3235.08    500.442  76.359  5.5267  76.940  6.0542  -0.5806656     8.197402  
1 1 1 -18 7   2  o 204.421 7.9217  22744.96   1753.93  22744.96   1753.93  0.0000     0.0000   204.421 7.9217  ?       ?       0.000000       7.921672  
1 1 1 -18 7   3  o 378.015 13.093  78460.67   5360.83  78460.67   5360.83  0.0000     0.0000   378.015 13.093  ?       ?       0.000000       13.09342  
1 1 1 -18 7   4  o 497.069 9.6243  134820.41  5181.53  133866.30  8971.97  135297.91  6347.01  491.498 16.854  497.012 11.790  -5.514221      20.56851  
1 1 1 -18 7   5  o 47.798  3.7537  1246.34    192.768  1222.09    256.788  1277.65    291.782  47.179  5.1068  48.173  5.7029  -0.9942856     7.655235  
1 1 1 -18 7   6  o 159.830 3.3727  13847.70   583.860  12606.29   818.231  15135.51   833.383  152.413 4.9566  167.027 4.6067  -14.61462      6.766787  
1 1 1 -18 7   7  o 334.867 5.7730  60903.81   2093.86  60863.40   2958.19  60944.38   2964.14  334.271 8.1707  334.490 8.1817  -0.2196655     11.56289  
1 1 1 -18 7   8  o 186.638 3.7847  18888.61   765.071  17839.49   1074.41  19967.79   1089.70  181.254 5.4728  191.782 5.2460  -10.52840      7.581063  
1 1 1 -18 7   9  o 92.892  3.0105  4677.05    302.893  4404.08    414.771  4988.97    443.368  90.102  4.2501  95.898  4.2686  -5.795929      6.023648  
1 1 1 -18 7   10 o 168.458 3.5278  15387.60   643.670  15458.44   747.090  15183.54   1267.97  168.809 4.0861  167.029 7.0089  1.780807       8.112980  
1 1 1 -18 7   11 o 242.885 4.4636  32017.47   1174.24  32717.54   1357.54  29937.46   2340.00  245.443 5.1066  234.029 9.2315  11.41376       10.54982  
1 1 1 -18 7   12 o 74.986  3.2392  3048.82    263.084  2893.15    318.158  3385.41    467.831  72.910  4.0447  78.734  5.5209  -5.824188      6.844004  
1 1 1 -18 7   13 o 112.141 3.0122  6818.48    365.860  7217.31    429.263  5759.51    699.465  115.354 3.4358  102.666 6.3210  12.68731       7.194384  
1 1 1 -18 7   14 o 77.142  3.1273  3227.41    261.291  3363.72    313.259  2915.70    473.695  78.732  3.6735  72.929  6.0516  5.802910       7.079262  
1 1 1 -18 7   15 o 116.938 3.0772  7417.79    389.740  7603.36    564.879  7249.19    538.422  118.287 4.4091  115.509 4.3037  2.778397       6.161287  
1 1 1 -18 7   16 o 177.300 5.1371  17120.89   986.507  0.0000     0.0000   17120.89   986.507  ?       ?       177.300 5.1371  0.000000       5.137137  
1 1 1 -18 7   17 o 219.216 5.9062  26266.87   1402.34  0.0000     0.0000   26266.87   1402.34  ?       ?       219.216 5.9062  0.000000       5.906247  
1 1 1 -18 7   18 o 165.383 4.9461  14933.34   885.988  0.0000     0.0000   14933.34   885.988  ?       ?       165.383 4.9461  0.000000       4.946135  
1 1 1 -18 7   19 o 62.322  4.4829  2131.49    300.579  0.0000     0.0000   2131.49    300.579  ?       ?       62.322  4.4829  0.000000       4.482883  
1 1 1 -18 7   20 o 64.642  4.6484  2298.18    323.278  0.0000     0.0000   2298.18    323.278  ?       ?       64.642  4.6484  0.000000       4.648373  
1 1 1 -18 7   21 o 49.550  4.2736  1352.98    227.114  1432.23    340.557  1289.51    304.788  50.481  6.3705  47.963  5.9983  2.517971       8.750022  
1 1 1 -18 7   22 o 92.034  3.4354  4623.58    342.446  4760.93    537.969  4530.02    444.024  92.715  5.3803  90.838  4.5130  1.876221       7.022496  
1 1 1 -18 7   23 o 51.499  4.6048  1470.83    254.140  1330.89    426.088  1548.11    316.626  47.623  8.5761  52.540  5.6529  -4.917751      10.27155  
1 1 1 -18 7   24 o 104.374 3.4111  5962.61    385.615  6384.91    570.863  5608.21    522.964  107.402 4.9074  100.707 4.7945  6.694771       6.860727  
1 1 1 -18 7   25 o 70.533  2.7246  2715.79    208.146  2614.11    388.216  2756.81    246.584  68.264  5.2920  70.954  3.2086  -2.690414      6.188762  
1 1 1 -18 7   26 o 16.560  6.9376  46.043     209.193  287.277    314.713  -144.9194  280.007  23.975  8.9791  15.956  7.2847  8.018308       11.56246  
1 1 1 -18 7   27 o 27.736  7.4895  467.143    230.262  665.598    361.632  331.821    298.621  32.392  9.6130  24.493  8.8174  7.899710       13.04434  
1 1 1 -18 7   28 o 74.151  3.8369  3073.04    307.099  2918.38    437.783  3222.89    430.907  70.907  5.7498  74.865  5.3494  -3.958374      7.853417  
1 1 1 -18 7   29 o 11.220  3.0584  72.169     38.187   -129.5110  340.498  74.738     38.429   17.146  7.9035  11.408  3.0509  5.738018       8.471914  
1 1 1 -18 7   30 f 39.268  12.501  1320.07    598.688  1320.07    598.688  0.0000     0.0000   39.268  12.501  ?       ?       0.000000       12.50146  
1 1 1 -18 7   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 7   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 8   1  o 110.274 4.0936  6594.48    488.930  5930.35    668.927  7356.25    716.416  104.327 5.9445  116.396 5.6827  -12.06876      8.223743  
1 1 1 -18 8   2  o 196.624 5.4246  20986.91   1155.24  19955.72   1626.37  22037.05   1641.23  191.484 7.8418  201.261 7.5291  -9.777084      10.87108  
1 1 1 -18 8   3  o 470.848 9.1705  120883.40  4676.77  119982.10  5726.41  122688.60  8104.48  468.269 11.291  471.158 15.881  -2.889282      19.48578  
1 1 1 -18 8   4  f 285.507 5.9160  44271.20   1829.42  46107.43   3163.01  43348.18   2242.56  290.582 10.050  282.297 7.3345  8.284760       12.44168  
1 1 1 -18 8   5  o 81.344  3.4719  3586.96    305.889  3660.99    497.140  3541.85    388.039  81.919  5.6374  80.682  4.4578  1.237175       7.186897  
1 1 1 -18 8   6  o 218.650 4.1381  25928.22   979.996  26322.43   1383.47  25531.21   1388.39  220.151 5.8020  216.805 5.9125  3.345871       8.283778  
1 1 1 -18 8   7  o 357.916 6.1241  69602.22   2374.06  68079.70   3353.85  71131.27   3361.03  353.376 8.7627  361.256 8.5899  -7.879944      12.27071  
1 1 1 -18 8   8  o 188.837 3.8494  19337.39   787.318  19540.41   1105.91  19128.74   1121.12  189.705 5.3823  187.684 5.5151  2.021194       7.706239  
1 1 1 -18 8   9  o 332.320 5.2143  59962.19   1876.83  60528.13   2421.44  59110.59   2970.34  333.604 6.7015  329.293 8.3282  4.311096       10.68970  
1 1 1 -18 8   10 o 116.312 3.1091  7333.57    391.683  7370.70    457.458  7231.58    758.171  116.586 3.6227  115.180 6.0992  1.405907       7.093953  
1 1 1 -18 8   11 o 36.040  4.9078  718.197    186.592  643.826    233.869  848.460    309.515  33.821  6.6213  38.793  7.6383  -4.972176      10.10871  
1 1 1 -18 8   12 o 60.831  3.3702  2012.80    221.184  2287.24    268.710  1436.14    389.512  64.819  3.8446  50.832  7.2829  13.98672       8.235394  
1 1 1 -18 8   13 o 199.164 3.9244  21525.35   846.556  21302.13   980.634  22178.33   1677.23  198.057 4.5714  201.582 7.6819  -3.524643      8.939217  
1 1 1 -18 8   14 o 89.452  3.0640  4339.47    296.854  4280.28    352.060  4485.06    552.171  88.813  3.6599  90.613  5.6544  -1.799484      6.735524  
1 1 1 -18 8   15 o 247.296 4.5343  33240.48   1214.50  34015.54   1722.18  32473.69   1712.99  249.718 6.3674  243.960 6.4828  5.757370       9.086831  
1 1 1 -18 8   16 o 113.076 3.1264  6939.16    382.902  6790.90    561.772  7067.80    523.284  111.718 4.6427  114.017 4.2374  -2.299591      6.285679  
1 1 1 -18 8   17 o 89.746  3.0930  4373.07    300.654  4500.46    436.342  4257.91    414.849  90.921  4.4309  88.447  4.3305  2.473557       6.195659  
1 1 1 -18 8   18 o 102.303 4.1834  5701.36    463.539  0.0000     0.0000   5701.36    463.539  ?       ?       102.303 4.1834  0.000000       4.183380  
1 1 1 -18 8   19 o 180.646 5.2197  17872.27   1021.27  0.0000     0.0000   17872.27   1021.27  ?       ?       180.646 5.2197  0.000000       5.219664  
1 1 1 -18 8   20 o 52.825  5.1512  1544.77    290.972  0.0000     0.0000   1544.77    290.972  ?       ?       52.825  5.1512  0.000000       5.151181  
1 1 1 -18 8   21 o 52.981  5.5398  1562.49    313.191  0.0000     0.0000   1562.49    313.191  ?       ?       52.981  5.5398  0.000000       5.539776  
1 1 1 -18 8   22 o 41.075  6.8373  965.232    293.484  0.0000     0.0000   965.232    293.484  ?       ?       41.075  6.8373  0.000000       6.837263  
1 1 1 -18 8   23 o 53.280  4.4177  1570.82    252.633  1426.18    409.831  1659.46    320.841  49.608  7.8918  54.457  5.5157  -4.848724      9.628280  
1 1 1 -18 8   24 o 36.225  6.6102  759.578    249.801  974.792    398.828  620.648    320.441  40.124  9.3504  32.165  8.8979  7.958244       12.90747  
1 1 1 -18 8   25 o 38.932  2.0685  826.932    86.910   1071.33    398.663  814.737    89.052   41.985  9.0346  38.633  2.1365  3.351669       9.283780  
1 1 1 -18 8   26 o 52.829  4.5913  1562.55    260.102  2120.62    417.563  1208.73    332.484  60.707  6.4493  45.433  6.9800  15.27444       9.503363  
1 1 1 -18 8   27 o 18.298  7.3599  114.571    223.505  268.508    353.688  12.232     288.383  23.982  9.3822  18.253  7.9075  5.729277       12.27008  
1 1 1 -18 8   28 o 25.839  7.6578  415.488    229.603  589.255    346.174  279.005    306.797  29.974  9.5024  23.001  8.8077  6.973026       12.95651  
1 1 1 -18 8   29 f 26.130  8.1055  447.044    253.283  435.076    381.715  456.458    338.551  25.951  9.8513  26.239  9.3944  -0.2881012     13.61260  
1 1 1 -18 8   30 o 32.679  12.292  911.568    591.019  911.568    591.019  0.0000     0.0000   32.679  12.292  ?       ?       0.000000       12.29195  
1 1 1 -18 8   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 8   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 9   1  o 342.514 8.4001  63899.38   3116.24  65114.30   4408.21  62685.77   4405.86  344.792 11.804  338.229 12.027  6.563446       16.85176  
1 1 1 -18 9   2  o 374.458 7.3806  76273.03   2993.39  74705.03   3663.85  79420.79   5191.17  370.153 9.1388  380.501 12.596  -10.34796      15.56217  
1 1 1 -18 9   3  o 217.210 4.7522  25597.81   1118.01  25331.66   1364.69  26141.01   1949.61  215.977 5.8339  219.101 8.2155  -3.124146      10.07612  
1 1 1 -18 9   4  o 171.349 4.0294  15921.56   747.809  17659.12   917.285  12478.26   1291.28  180.413 4.6942  151.200 7.9125  29.21353       9.200155  
1 1 1 -18 9   5  o 126.269 3.6234  8643.92    495.542  9065.34    834.544  8414.41    615.869  129.189 5.9642  124.541 4.5657  4.647842       7.511157  
1 1 1 -18 9   6  o 163.594 3.4372  14508.24   609.038  14892.30   853.656  14110.09   869.174  165.669 4.7574  161.245 4.9768  4.424225       6.884890  
1 1 1 -18 9   7  o 223.326 4.2169  27051.83   1020.02  26618.55   1435.04  27494.27   1450.13  221.356 5.9855  224.972 5.9512  -3.615723      8.440606  
1 1 1 -18 9   8  o 98.166  3.0970  5223.27    329.290  4939.61    447.411  5558.53    486.400  95.424  4.3289  101.221 4.4366  -5.797447      6.198649  
1 1 1 -18 9   9  o 55.774  3.3489  1692.52    201.370  1900.55    233.525  1089.31    397.655  59.089  3.6670  43.939  8.6637  15.15007       9.407746  
1 1 1 -18 9   10 o 152.560 3.3741  12619.03   557.534  12546.17   645.179  12833.88   1107.91  152.088 3.9167  153.594 6.6598  -1.506363      7.726118  
1 1 1 -18 9   11 o 52.329  3.7319  1492.75    210.130  1469.73    258.298  1537.78    361.331  51.826  4.6510  52.778  6.4555  -0.9520645     7.956428  
1 1 1 -18 9   12 o 42.583  4.0755  992.901    185.673  917.383    224.929  1154.42    328.951  40.764  5.2139  45.540  6.8839  -4.776424      8.635573  
1 1 1 -18 9   13 o 183.363 3.7176  18241.90   738.319  18605.80   857.407  17198.03   1452.17  185.128 4.2761  177.527 7.5524  7.600769       8.678878  
1 1 1 -18 9   14 o 145.408 3.2935  11469.22   518.701  11960.13   605.500  10115.67   1005.43  148.449 3.7659  136.017 6.8467  12.43243       7.814024  
1 1 1 -18 9   15 o 171.274 3.5791  15923.22   663.957  16358.12   772.242  14690.42   1300.18  173.534 4.1087  163.907 7.3238  9.626663       8.397539  
1 1 1 -18 9   16 o 205.810 3.9789  23019.59   886.943  23994.76   1263.26  22071.51   1245.59  209.774 5.5599  201.152 5.7171  8.621902       7.974857  
1 1 1 -18 9   17 o 72.352  3.2163  2842.94    252.048  2871.23    367.245  2817.74    346.553  72.445  4.7058  71.799  4.4787  0.6462936      6.496401  
1 1 1 -18 9   18 o 159.351 3.4253  13806.62   591.188  14573.23   844.717  13070.64   827.675  163.408 4.7727  154.712 4.9393  8.695724       6.868463  
1 1 1 -18 9   19 o 47.802  5.1101  1264.75    260.476  0.0000     0.0000   1264.75    260.476  ?       ?       47.802  5.1101  0.000000       5.110099  
1 1 1 -18 9   20 o 78.081  4.3996  3343.52    370.558  0.0000     0.0000   3343.52    370.558  ?       ?       78.081  4.3996  0.000000       4.399603  
1 1 1 -18 9   21 o 47.411  6.0317  1261.23    302.722  0.0000     0.0000   1261.23    302.722  ?       ?       47.411  6.0317  0.000000       6.031728  
1 1 1 -18 9   22 o 33.016  7.9335  638.853    280.172  0.0000     0.0000   638.853    280.172  ?       ?       33.016  7.9335  0.000000       7.933494  
1 1 1 -18 9   23 o 45.187  6.4125  1161.50    305.043  0.0000     0.0000   1161.50    305.043  ?       ?       45.187  6.4125  0.000000       6.412549  
1 1 1 -18 9   24 o 45.517  6.5133  1186.48    311.951  0.0000     0.0000   1186.48    311.951  ?       ?       45.517  6.5133  0.000000       6.513341  
1 1 1 -18 9   25 o 22.174  1.1507  267.374    27.542   206.233    368.029  267.719    27.619   23.590  9.4599  22.188  1.1532  1.401775       9.529937  
1 1 1 -18 9   26 o 18.780  7.5217  120.581    232.354  409.763    404.768  -21.5450   283.765  27.525  10.208  17.745  7.7632  9.780451       12.82438  
1 1 1 -18 9   27 o 16.970  7.2119  36.241     231.374  -203.3088  388.056  168.376    288.207  18.326  8.4437  20.912  8.3766  -2.586740      11.89386  
1 1 1 -18 9   28 o 13.976  6.4722  -150.0939  232.298  -154.4683  397.587  -147.8267  286.237  18.677  8.5838  15.771  7.2611  2.906284       11.24296  
1 1 1 -18 9   29 o 15.708  6.9688  -17.9946   236.220  390.715    345.472  -376.8535  323.718  24.914  9.3925  14.418  6.9508  10.49571       11.68470  
1 1 1 -18 9   30 o 25.567  11.594  265.472    694.222  265.472    694.222  0.0000     0.0000   25.567  11.594  ?       ?       0.000000       11.59384  
1 1 1 -18 9   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 9   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 10  1  o 331.069 5.6796  59515.29   2036.62  58129.62   2879.20  60902.89   2881.22  326.738 8.1359  334.481 7.9531  -7.743530      11.37732  
1 1 1 -18 10  2  o 122.748 3.0216  8165.72    401.724  8537.69    564.406  7783.79    571.916  125.471 4.1532  119.793 4.4079  5.678413       6.056263  
1 1 1 -18 10  3  o 318.618 5.5487  55116.36   1914.84  55099.47   2705.55  55133.30   2710.45  318.167 7.8511  318.262 7.8630  -0.9524536E-01 11.11152  
1 1 1 -18 10  4  o 205.265 4.5042  22856.10   1001.39  21800.19   1225.17  24981.14   1738.07  200.372 5.6454  214.278 7.4889  -13.90619      9.378394  
1 1 1 -18 10  5  o 199.632 4.4348  21618.17   958.899  20812.80   1653.39  22026.36   1177.08  195.539 7.8068  201.428 5.3953  -5.888977      9.489724  
1 1 1 -18 10  6  o 193.679 3.8228  20339.96   801.931  19920.54   1127.52  20769.30   1140.80  191.549 5.4347  195.592 5.3850  -4.042603      7.650782  
1 1 1 -18 10  7  o 233.483 4.9481  29586.00   1251.30  27282.79   2155.25  30757.10   1536.84  223.675 8.8963  237.944 5.9633  -14.26857      10.71004  
1 1 1 -18 10  8  f 300.021 4.7130  48845.87   1531.51  47927.02   1973.26  50237.90   2428.78  296.976 6.1347  303.817 7.3808  -6.841339      9.597465  
1 1 1 -18 10  9  o 208.915 4.0062  23673.08   906.515  24433.59   1046.73  21391.24   1813.12  212.197 4.5544  198.063 8.4519  14.13345       9.600849  
1 1 1 -18 10  10 o 431.740 7.3158  101502.30  3420.99  100466.40  3950.06  104611.00  6842.81  429.120 8.4988  434.800 14.530  -5.680695      16.83324  
1 1 1 -18 10  11 o 42.353  4.1643  982.628    188.557  972.323    230.302  1003.58    328.402  41.996  5.1724  42.307  7.4382  -0.3113174     9.059866  
1 1 1 -18 10  12 o 38.783  4.3649  826.675    180.164  961.842    218.910  542.935    317.169  41.796  4.9307  31.157  8.9352  10.63900       10.20535  
1 1 1 -18 10  13 f 122.613 3.1201  8152.39    414.361  8690.99    487.917  6759.00    784.778  126.573 3.5590  111.206 6.5444  15.36768       7.449543  
1 1 1 -18 10  14 o 137.854 3.2137  10307.93   479.839  10812.55   560.911  8930.88    926.580  141.154 3.6689  127.800 6.7175  13.35360       7.654106  
1 1 1 -18 10  15 o 62.574  3.3926  2131.16    229.072  2052.22    277.363  2300.53    406.280  61.317  4.2017  64.713  5.8600  -3.396042      7.210696  
1 1 1 -18 10  16 o 90.580  3.0266  4452.46    296.930  5548.42    449.739  3605.57    395.344  101.027 4.1101  81.286  4.5081  19.74127       6.100502  
1 1 1 -18 10  17 o 122.641 3.1391  8167.59    416.972  8760.08    596.205  7600.32    583.379  126.855 4.3393  118.128 4.5596  8.727089       6.294389  
1 1 1 -18 10  18 o 82.879  3.0571  3731.88    274.423  4004.47    406.208  3503.02    372.203  85.595  4.3964  80.056  4.3084  5.538193       6.155556  
1 1 1 -18 10  19 o 53.518  3.5762  1566.36    206.105  1643.49    317.113  1509.94    271.198  54.487  5.4464  52.328  4.8398  2.159050       7.286064  
1 1 1 -18 10  20 o 76.219  3.1829  3161.96    262.759  3288.64    384.354  3050.80    360.033  77.386  4.6064  74.554  4.4794  2.832016       6.425275  
1 1 1 -18 10  21 o 25.018  8.4314  334.422    270.661  0.0000     0.0000   334.422    270.661  ?       ?       25.018  8.4314  0.000000       8.431354  
1 1 1 -18 10  22 o 27.361  8.3723  428.637    271.279  0.0000     0.0000   428.637    271.279  ?       ?       27.361  8.3723  0.000000       8.372263  
1 1 1 -18 10  23 o 43.556  6.6001  1083.72    301.612  0.0000     0.0000   1083.72    301.612  ?       ?       43.556  6.6001  0.000000       6.600120  
1 1 1 -18 10  24 o 79.909  4.6916  3540.45    404.275  0.0000     0.0000   3540.45    404.275  ?       ?       79.909  4.6916  0.000000       4.691596  
1 1 1 -18 10  25 o 36.321  6.8089  771.578    258.016  0.0000     0.0000   771.578    258.016  ?       ?       36.321  6.8089  0.000000       6.808930  
1 1 1 -18 10  26 o 36.893  7.9169  821.188    306.884  0.0000     0.0000   821.188    306.884  ?       ?       36.893  7.9169  0.000000       7.916947  
1 1 1 -18 10  27 o 59.822  4.3258  2003.18    278.392  1893.74    443.832  2074.16    357.453  56.419  7.4449  60.264  5.5383  -3.844601      9.278988  
1 1 1 -18 10  28 o 20.348  7.8543  200.522    245.307  527.759    434.464  47.379     297.215  28.703  10.589  18.679  8.0600  10.02391       13.30776  
1 1 1 -18 10  29 o 35.799  6.8907  800.952    257.480  428.519    423.082  1020.03    324.490  26.012  10.236  39.798  7.8068  -13.78590      12.87302  
1 1 1 -18 10  30 o 60.919  14.862  3437.60    971.920  3437.60    971.920  0.0000     0.0000   60.919  14.862  ?       ?       0.000000       14.86208  
1 1 1 -18 10  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 10  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 11  1  o 230.288 4.2352  28762.65   1056.36  28343.23   1492.23  29183.99   1495.63  228.429 6.0313  231.801 5.9571  -3.371750      8.477300  
1 1 1 -18 11  2  o 210.807 3.9756  24097.84   907.735  24604.15   1281.89  23588.60   1285.58  212.878 5.5597  208.425 5.6948  4.452652       7.958694  
1 1 1 -18 11  3  o 193.485 3.7169  20296.91   778.935  19182.81   1094.48  21440.40   1108.82  187.982 5.3755  198.756 5.1508  -10.77345      7.444904  
1 1 1 -18 11  4  o 173.848 4.0918  16390.21   770.469  16030.95   942.398  17114.39   1337.99  171.868 5.0625  177.412 6.9630  -5.543991      8.608907  
1 1 1 -18 11  5  o 192.239 5.3685  20062.35   1117.79  20258.63   1584.03  19867.67   1577.58  192.944 7.5799  191.068 7.6231  1.876053       10.75020  
1 1 1 -18 11  6  o 96.434  3.2927  5040.89    343.919  4258.10    597.018  5429.67    420.745  88.301  6.2834  100.065 3.8821  -11.76460      7.385918  
1 1 1 -18 11  7  o 90.300  3.1291  4419.71    306.037  4500.72    418.874  4326.94    448.218  91.091  4.2456  89.180  4.6565  1.911263       6.301447  
1 1 1 -18 11  8  o 64.931  3.1456  2285.30    221.221  2433.73    255.548  1841.46    441.905  66.905  3.5391  57.729  7.2257  9.175766       8.045878  
1 1 1 -18 11  9  o 86.697  2.9884  4074.07    280.615  4222.98    325.794  3646.08    552.340  88.256  3.4082  81.655  6.2938  6.600548       7.157379  
1 1 1 -18 11  10 o 43.512  4.3047  1037.29    200.208  1134.54    239.335  810.622    365.382  45.447  4.9419  37.780  9.0486  7.666973       10.31014  
1 1 1 -18 11  11 f 174.058 3.5979  16430.65   678.279  16103.31   784.805  17396.90   1348.36  172.270 4.2061  178.749 6.9645  -6.479385      8.136116  
1 1 1 -18 11  12 o 146.720 3.2906  11673.14   522.914  11829.29   606.657  11221.78   1031.43  147.667 3.7931  143.569 6.6330  4.097382       7.640921  
1 1 1 -18 11  13 o 156.204 3.3987  13234.64   575.009  13272.96   667.169  13123.97   1133.83  156.388 3.9388  155.190 6.7455  1.197632       7.811257  
1 1 1 -18 11  14 o 60.377  3.4241  1984.10    222.995  1898.72    268.948  2171.92    398.887  58.978  4.2385  62.881  5.9267  -3.903519      7.286327  
1 1 1 -18 11  15 o 58.785  3.4827  1882.21    220.754  1769.91    268.091  2118.69    389.049  56.899  4.3839  62.079  5.8553  -5.180058      7.314591  
1 1 1 -18 11  16 f 213.309 4.0777  24735.02   942.100  25201.00   1341.06  24280.99   1323.77  214.901 5.7616  210.933 5.7942  3.968185       8.171215  
1 1 1 -18 11  17 o 28.777  5.7658  468.471    173.451  553.650    273.526  411.182    224.321  31.114  8.0539  26.935  7.4421  4.179262       10.96584  
1 1 1 -18 11  18 o 152.987 3.3835  12725.95   560.651  12820.79   801.351  12635.00   784.674  153.239 4.8282  152.142 4.7618  1.097519       6.781283  
1 1 1 -18 11  19 o 15.561  6.2266  66.700     159.059  327.390    258.870  -91.4103   201.604  24.801  8.2446  14.113  6.3373  10.68716       10.39878  
1 1 1 -18 11  20 o 73.944  3.3205  2977.42    265.936  3123.57    378.123  2834.37    374.090  75.399  4.6529  71.767  4.8409  3.631874       6.714443  
1 1 1 -18 11  21 o 125.010 3.2128  8513.93    435.005  8152.11    618.348  8868.46    612.080  121.916 4.6828  127.240 4.4413  -5.324432      6.453979  
1 1 1 -18 11  22 o 47.573  4.8438  1257.63    246.104  1618.42    423.677  1073.89    302.343  53.162  7.5721  43.426  6.6390  9.736000       10.07040  
1 1 1 -18 11  23 o 81.211  4.6292  3643.26    405.495  0.0000     0.0000   3643.26    405.495  ?       ?       81.211  4.6292  0.000000       4.629156  
1 1 1 -18 11  24 o 66.539  5.0483  2468.28    361.115  0.0000     0.0000   2468.28    361.115  ?       ?       66.539  5.0483  0.000000       5.048342  
1 1 1 -18 11  25 o 29.204  8.6010  511.691    290.414  0.0000     0.0000   511.691    290.414  ?       ?       29.204  8.6010  0.000000       8.601016  
1 1 1 -18 11  26 o 20.704  8.3038  153.741    283.617  0.0000     0.0000   153.741    283.617  ?       ?       20.704  8.3038  0.000000       8.303816  
1 1 1 -18 11  27 o 28.593  8.8563  505.650    302.502  0.0000     0.0000   505.650    302.502  ?       ?       28.593  8.8563  0.000000       8.856256  
1 1 1 -18 11  28 o 44.370  2.1789  1076.78    104.712  0.0000     0.0000   1076.78    104.712  ?       ?       44.370  2.1789  0.000000       2.178925  
1 1 1 -18 11  29 o 32.030  8.7262  695.517    310.956  618.910    413.419  795.318    471.872  29.377  10.396  32.378  11.130  -3.000044      15.22986  
1 1 1 -18 11  30 o 25.707  10.161  442.646    418.642  442.646    418.642  0.0000     0.0000   25.707  10.161  ?       ?       0.000000       10.16069  
1 1 1 -18 11  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 11  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 12  1  o 213.681 4.0393  24760.54   934.854  24818.35   1319.35  24702.24   1324.84  213.787 5.6978  213.282 5.7351  0.5044403      8.084306  
1 1 1 -18 12  2  o 111.298 2.8741  6712.90    346.467  7122.42    487.598  6295.28    492.395  114.608 3.9280  107.738 4.2197  6.870766       5.764976  
1 1 1 -18 12  3  o 291.843 5.1926  46228.73   1641.36  47827.63   2319.79  44625.86   2322.68  296.537 7.2227  286.393 7.4878  10.14386       10.40362  
1 1 1 -18 12  4  o 318.500 5.5518  55078.27   1915.18  55081.46   2704.65  55075.05   2712.31  318.099 7.8502  318.076 7.8730  0.2328491E-01  11.11795  
1 1 1 -18 12  5  o 289.464 5.9331  45512.31   1860.13  45608.52   2277.11  45319.35   3224.90  289.555 7.2608  287.975 10.339  1.579803       12.63409  
1 1 1 -18 12  6  o 285.020 5.8973  44126.67   1820.54  43361.26   3148.19  44511.23   2231.49  281.665 10.319  286.048 7.2025  -4.383148      12.58445  
1 1 1 -18 12  7  o 272.956 4.3920  40417.73   1298.44  39524.52   1672.02  41774.75   2060.90  269.761 5.7226  277.157 6.8653  -7.395599      8.937581  
1 1 1 -18 12  8  o 213.857 4.0942  24806.58   948.348  24904.02   1094.96  24514.05   1897.20  214.222 4.7192  212.086 8.2591  2.136536       9.512254  
1 1 1 -18 12  9  f 224.559 4.2544  27357.42   1034.76  26864.92   1195.79  28825.56   2064.59  222.457 4.9629  229.934 8.2901  -7.477020      9.662122  
1 1 1 -18 12  10 o 179.741 4.0470  17526.12   787.859  16886.19   865.925  20602.84   1898.72  176.391 4.5325  194.215 9.0262  -17.82491      10.10030  
1 1 1 -18 12  11 o 57.163  3.3640  1777.94    207.357  1910.75    246.445  1456.01    383.693  59.224  3.8631  51.226  7.1069  7.998024       8.088998  
1 1 1 -18 12  12 o 78.768  3.1153  3364.02    265.783  3411.03    315.567  3249.27    493.012  79.298  3.6742  77.065  5.9526  2.233276       6.995236  
1 1 1 -18 12  13 o 95.194  3.0569  4913.79    315.184  4549.45    369.611  5884.89    603.421  91.568  3.7268  103.898 5.3807  -12.33006      6.545248  
1 1 1 -18 12  14 o 31.054  5.4755  540.095    177.433  569.318    220.551  486.484    298.732  31.729  6.6314  29.564  8.7279  2.164804       10.96138  
1 1 1 -18 12  15 o 125.793 3.1467  8585.52    428.730  8693.27    500.873  8290.19    829.214  126.538 3.6546  123.118 6.2387  3.420410       7.230318  
1 1 1 -18 12  16 o 172.402 3.6108  16145.28   674.245  16105.62   782.417  16259.72   1328.98  172.098 4.1975  172.255 7.1232  -0.1578217     8.267953  
1 1 1 -18 12  17 o 161.066 3.4315  14096.57   598.628  14911.11   855.120  13313.76   838.307  165.395 4.7735  156.246 4.9536  9.148773       6.879291  
1 1 1 -18 12  18 o 143.713 3.2933  11228.08   512.624  11248.70   734.110  11208.47   716.143  143.555 4.7214  143.323 4.6133  0.2314148      6.601107  
1 1 1 -18 12  19 o 67.450  3.1895  2474.61    233.006  2699.26    352.055  2299.49    310.825  70.121  4.6620  64.735  4.4603  5.385918       6.452042  
1 1 1 -18 12  20 o 20.737  7.0580  222.141    189.688  364.337    270.759  85.078     265.827  25.838  8.4242  19.449  7.9515  6.389441       11.58422  
1 1 1 -18 12  21 o 20.588  7.1030  216.801    192.270  393.260    274.315  46.396     269.568  26.548  8.4633  18.803  7.8763  7.744242       11.56135  
1 1 1 -18 12  22 o 33.866  6.4362  658.404    227.455  682.996    383.434  645.052    282.534  33.949  9.8501  33.161  7.9660  0.7876320      12.66816  
1 1 1 -18 12  23 o 33.999  6.6038  667.840    234.415  794.726    405.471  604.140    287.292  36.273  9.9988  31.951  8.2460  4.321705       12.96042  
1 1 1 -18 12  24 o 38.350  1.7433  798.795    72.413   814.763    74.807   561.220    288.543  38.729  1.7833  30.656  8.4283  8.072905       8.614876  
1 1 1 -18 12  25 o 61.988  5.2974  2160.11    352.249  0.0000     0.0000   2160.11    352.249  ?       ?       61.988  5.2974  0.000000       5.297410  
1 1 1 -18 12  26 o 93.207  4.6257  4834.32    466.982  0.0000     0.0000   4834.32    466.982  ?       ?       93.207  4.6257  0.000000       4.625731  
1 1 1 -18 12  27 o 42.378  7.2506  1074.60    320.835  0.0000     0.0000   1074.60    320.835  ?       ?       42.378  7.2506  0.000000       7.250551  
1 1 1 -18 12  28 o 22.364  8.6566  257.380    298.636  0.0000     0.0000   257.380    298.636  ?       ?       22.364  8.6566  0.000000       8.656583  
1 1 1 -18 12  29 o 40.893  11.006  1250.22    498.199  0.0000     0.0000   1250.22    498.199  ?       ?       40.893  11.006  0.000000       11.00553  
1 1 1 -18 12  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 12  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 12  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 13  1  o 108.147 2.8568  6338.16    334.632  6576.39    469.560  6092.31    477.012  110.127 3.9367  105.988 4.1553  4.138496       5.723969  
1 1 1 -18 13  2  o 122.893 2.9569  8184.92    393.586  7953.46    553.745  8421.24    559.530  121.097 4.2219  124.611 4.1457  -3.513588      5.917002  
1 1 1 -18 13  3  o 215.251 4.0699  25126.46   948.852  24992.21   1340.03  25261.46   1343.74  214.525 5.7672  215.679 5.7522  -1.154037      8.145484  
1 1 1 -18 13  4  o 285.252 4.9711  44157.28   1535.87  42499.23   2166.09  45833.70   2178.05  279.533 7.1544  290.332 6.9263  -10.79819      9.957867  
1 1 1 -18 13  5  o 146.981 3.7462  11713.46   596.372  11885.94   729.856  11366.94   1034.50  148.017 4.5526  144.608 6.6049  3.409195       8.021917  
1 1 1 -18 13  6  o 228.735 4.8112  28390.97   1191.95  24656.20   2050.39  30297.38   1464.92  212.641 8.9026  236.191 5.7264  -23.54933      10.58530  
1 1 1 -18 13  7  o 283.392 5.0497  43592.53   1549.98  43309.13   1788.79  44446.47   3105.02  282.359 5.8491  285.188 10.052  -2.828949      11.63011  
1 1 1 -18 13  8  o 257.197 4.6842  35897.80   1304.88  35509.53   1506.42  37064.59   2611.44  255.711 5.4391  260.566 9.2532  -4.855316      10.73339  
1 1 1 -18 13  9  o 129.684 3.1779  9117.00    446.373  8776.40    516.831  10116.99   885.567  127.214 3.7510  136.436 5.9927  -9.222702      7.069796  
1 1 1 -18 13  10 f 229.623 4.4430  28614.56   1105.00  29387.74   1200.06  24306.08   2832.85  232.668 4.7621  209.746 12.527  22.92258       13.40168  
1 1 1 -18 13  11 o 281.419 5.0493  43012.73   1539.07  42189.77   1777.64  45476.32   3075.65  278.569 5.8917  288.206 9.8529  -9.636383      11.48006  
1 1 1 -18 13  12 o 125.501 3.1924  8540.53    433.947  8121.61    505.547  9713.26    845.849  122.351 3.8149  133.641 5.8436  -11.29015      6.978647  
1 1 1 -18 13  13 o 244.861 4.5255  32562.97   1200.19  32765.91   1387.10  31958.49   2393.99  245.507 5.2165  241.512 9.1519  3.995483       10.53420  
1 1 1 -18 13  14 o 140.136 3.2772  10653.64   497.427  10424.19   578.316  11306.08   975.203  138.573 3.8532  144.033 6.2512  -5.460419      7.343297  
1 1 1 -18 13  15 o 164.448 3.5071  14680.14   624.669  14711.65   724.838  14589.18   1231.51  164.557 4.0668  163.370 6.9598  1.187729       8.060857  
1 1 1 -18 13  16 o 105.200 3.0576  6006.72    348.391  6085.26    410.028  5802.79    660.699  105.842 3.5767  102.912 5.9529  2.930275       6.944772  
1 1 1 -18 13  17 o 64.231  3.1696  2240.78    220.502  2668.30    337.405  1922.07    291.319  69.847  4.4837  59.220  4.5773  10.62687       6.407441  
1 1 1 -18 13  18 f 77.609  3.0711  3272.95    258.152  3533.82    383.771  3057.36    348.883  80.376  4.4254  74.762  4.3270  5.614494       6.189298  
1 1 1 -18 13  19 o 33.510  5.2909  629.987    185.658  536.129    279.835  703.784    248.134  30.501  8.2649  35.137  6.7655  -4.636301      10.68092  
1 1 1 -18 13  20 o 25.070  7.0645  358.681    200.049  82.822     297.479  586.424    270.294  20.312  8.3702  31.796  7.8868  -11.48464      11.50053  
1 1 1 -18 13  21 o 19.782  7.0661  189.320    191.428  417.579    274.029  -28.2369   267.528  27.172  8.4314  17.494  7.5974  9.677860       11.34939  
1 1 1 -18 13  22 o 47.253  1.8999  1212.23    97.236   1244.31    102.893  944.391    297.345  47.868  1.9846  40.545  7.0256  7.323406       7.300471  
1 1 1 -18 13  23 o 97.416  3.4513  5188.78    364.157  5878.52    550.818  4653.23    485.362  103.178 4.9289  91.684  4.9055  11.49448       6.953970  
1 1 1 -18 13  24 o 61.521  4.0941  2091.48    271.246  2431.57    444.271  1889.38    342.488  65.479  6.3439  57.982  5.5202  7.497379       8.409375  
1 1 1 -18 13  25 o 43.405  5.3126  1066.76    244.547  1380.60    398.008  876.419    309.956  48.335  7.8736  38.376  7.7244  9.958710       11.02995  
1 1 1 -18 13  26 f 33.050  2.2209  597.947    79.039   894.064    395.784  585.647    80.664   37.736  9.6465  32.696  2.2923  5.040298       9.915153  
1 1 1 -18 13  27 o 62.032  5.4895  2197.68    365.014  0.0000     0.0000   2197.68    365.014  ?       ?       62.032  5.4895  0.000000       5.489515  
1 1 1 -18 13  28 o 27.308  8.9726  479.383    306.937  0.0000     0.0000   479.383    306.937  ?       ?       27.308  8.9726  0.000000       8.972641  
1 1 1 -18 13  29 o 31.276  11.075  734.931    469.275  0.0000     0.0000   734.931    469.275  ?       ?       31.276  11.075  0.000000       11.07505  
1 1 1 -18 13  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 13  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 13  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 14  1  o 367.100 6.3121  73226.09   2509.72  69362.57   3547.94  77095.47   3550.62  356.618 9.1855  376.104 8.7162  -19.48590      12.66276  
1 1 1 -18 14  2  o 127.438 2.9992  8801.72    413.974  8431.59    579.503  9187.44    591.578  124.681 4.2913  130.154 4.1965  -5.472931      6.002129  
1 1 1 -18 14  3  o 208.543 3.9987  23583.96   903.198  23686.58   1274.14  23480.31   1280.52  208.858 5.6324  207.941 5.6856  0.9166565      8.003112  
1 1 1 -18 14  4  o 117.735 2.9957  7512.48    382.006  7397.45    524.978  7641.94    556.909  116.789 4.1502  118.696 4.3319  -1.906494      5.999123  
1 1 1 -18 14  5  o 240.438 5.4650  31387.96   1423.19  32294.72   1596.29  27873.94   3142.44  243.816 6.0447  224.892 12.956  18.92455       14.29659  
1 1 1 -18 14  6  o 113.621 3.5325  6998.98    434.723  7097.68    724.047  6943.35    543.612  114.160 5.8757  113.133 4.4364  1.026337       7.362429  
1 1 1 -18 14  7  o 257.415 5.3883  35979.58   1502.31  33941.52   1838.76  40071.46   2605.42  249.824 6.7955  271.047 8.8749  -21.22346      11.17776  
1 1 1 -18 14  8  o 304.167 5.3756  50240.52   1770.96  49917.85   2044.15  51211.49   3545.98  303.046 6.2278  305.852 10.704  -2.806000      12.38408  
1 1 1 -18 14  9  o 209.718 4.0413  23857.61   917.969  24552.89   1060.56  21780.90   1832.92  212.700 4.6036  199.828 8.4687  12.87283       9.639096  
1 1 1 -18 14  10 o 176.433 3.6230  16881.66   692.338  16721.67   799.763  17360.10   1383.02  175.552 4.2062  178.550 7.1515  -2.997971      8.296749  
1 1 1 -18 14  11 f 272.639 4.8728  40363.49   1438.92  41057.00   1662.03  38287.99   2875.23  274.855 5.5830  264.381 10.041  10.47382       11.48864  
1 1 1 -18 14  12 f 138.173 3.2798  10353.28   490.844  10351.84   572.106  10357.28   955.471  138.129 3.8240  137.936 6.3954  0.1932678      7.451489  
1 1 1 -18 14  13 o 110.949 3.0222  6675.02    363.179  7053.78    424.242  5636.02    702.652  114.032 3.4349  101.518 6.4235  12.51395       7.284245  
1 1 1 -18 14  14 o 156.455 3.4340  13282.16   581.909  12914.19   674.475  14353.58   1150.89  154.215 4.0380  162.227 6.5500  -8.011398      7.694688  
1 1 1 -18 14  15 o 35.867  4.8310  712.347    182.898  802.956    227.176  545.420    308.348  37.971  5.6998  31.084  8.7748  6.887787       10.46351  
1 1 1 -18 14  16 o 103.946 3.0429  5864.58    342.584  5977.86    403.307  5571.04    649.220  104.903 3.5496  100.816 5.9721  4.086411       6.947373  
1 1 1 -18 14  17 o 72.717  3.0674  2871.65    241.592  2863.66    363.908  2877.95    323.054  72.335  4.6698  72.599  4.1254  -0.2643433     6.231092  
1 1 1 -18 14  18 o 37.395  4.5487  774.086    180.441  756.738    282.391  786.057    234.574  36.383  7.4176  37.403  5.9927  -1.019691      9.535944  
1 1 1 -18 14  19 o 59.019  3.5190  1903.32    223.923  1751.61    330.400  2032.21    304.529  56.240  5.4942  60.793  4.6604  -4.552895      7.204560  
1 1 1 -18 14  20 o 24.440  7.1235  338.712    200.131  260.589    298.119  402.801    270.019  23.809  8.7737  26.824  8.3770  -3.014467      12.13062  
1 1 1 -18 14  21 o 52.633  4.0211  1523.38    227.496  1704.00    325.249  1350.38    318.318  55.335  5.4997  49.030  6.1280  6.304394       8.234026  
1 1 1 -18 14  22 o 59.874  3.8748  1969.72    249.930  1866.18    369.560  2056.98    339.286  57.691  6.0022  60.848  5.1980  -3.156250      7.940130  
1 1 1 -18 14  23 o 13.595  6.2547  -147.9383  211.885  -80.6458   368.244  -181.2441  259.067  19.674  8.7157  14.970  6.8982  4.703431       11.11521  
1 1 1 -18 14  24 o 38.427  5.7680  841.845    232.653  596.507    380.547  988.274    293.995  31.578  9.9579  41.327  6.8050  -9.748795      12.06099  
1 1 1 -18 14  25 o 113.647 3.3456  7083.81    411.816  7629.07    613.979  6637.90    555.232  117.137 4.8394  109.351 4.6880  7.786270       6.737699  
1 1 1 -18 14  26 o 54.746  4.6930  1680.43    275.584  1627.98    425.442  1718.34    361.733  52.413  7.7261  54.679  6.2186  -2.266689      9.917805  
1 1 1 -18 14  27 o 55.037  4.7106  1709.75    278.097  1842.06    425.423  1611.03    367.485  55.693  7.2228  52.404  6.6223  3.288097       9.799122  
1 1 1 -18 14  28 o 73.518  3.9923  3037.93    316.710  2951.20    476.497  3106.57    423.894  70.587  6.2987  73.276  5.3786  -2.688492      8.282682  
1 1 1 -18 14  29 f 23.718  9.1193  336.205    329.707  222.990    481.701  435.998    452.243  23.661  10.235  26.268  10.503  -2.606758      14.66549  
1 1 1 -18 14  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 14  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 14  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 15  1  o 296.281 5.2138  47648.45   1673.14  46564.58   2364.91  48734.65   2367.45  292.539 7.4638  299.308 7.3028  -6.769104      10.44221  
1 1 1 -18 15  2  o 162.405 3.4046  14297.62   598.877  14458.80   842.912  14133.33   851.026  163.241 4.7674  161.387 4.8686  1.854401       6.814081  
1 1 1 -18 15  3  o 184.429 3.6611  18441.29   731.320  18142.66   1031.28  18743.37   1037.23  182.823 5.2081  185.830 5.1534  -3.006500      7.326728  
1 1 1 -18 15  4  o 205.761 3.9422  22958.57   878.558  22513.62   1237.06  23411.38   1247.95  203.619 5.6092  207.645 5.5489  -4.026108      7.890078  
1 1 1 -18 15  5  o 138.341 3.6308  10376.16   544.034  10675.28   666.035  9776.46    943.052  140.284 4.3835  134.115 6.4921  6.168549       7.833418  
1 1 1 -18 15  6  o 155.265 3.8569  13072.59   648.613  12833.62   794.415  13550.41   1123.34  153.786 4.7694  157.880 6.5693  -4.093796      8.118001  
1 1 1 -18 15  7  o 107.567 3.3452  6272.63    389.734  6000.59    485.888  6763.40    652.625  105.175 4.2653  111.604 5.3990  -6.428993      6.880557  
1 1 1 -18 15  8  o 131.282 3.1968  9342.82    454.566  9490.86    517.554  8843.22    950.743  132.300 3.6118  127.308 6.9211  4.992538       7.806820  
1 1 1 -18 15  9  o 203.920 3.9728  22555.69   877.459  22060.28   1013.90  24033.76   1751.30  201.609 4.6432  210.031 7.6985  -8.422653      8.990340  
1 1 1 -18 15  10 o 236.184 4.3915  30272.78   1123.39  30327.30   1297.15  30109.20   2246.96  236.314 5.0679  234.796 8.8355  1.518021       10.18579  
1 1 1 -18 15  11 o 186.822 3.7598  18932.44   760.782  18582.46   879.915  19968.77   1514.16  185.033 4.3906  191.435 7.3026  -6.402451      8.520881  
1 1 1 -18 15  12 o 215.030 4.1407  25095.63   964.373  24969.30   1115.89  25468.36   1916.78  214.406 4.8053  215.925 8.1960  -1.519485      9.500753  
1 1 1 -18 15  13 f 98.131  3.0110  5221.82    320.028  5369.28    374.274  4820.82    617.195  99.485  3.4734  93.901  6.1016  5.583977       7.020994  
1 1 1 -18 15  14 o 211.204 4.0250  24223.14   920.732  25298.05   1066.04  21066.71   1826.79  215.755 4.5619  196.010 8.6048  19.74524       9.739243  
1 1 1 -18 15  15 o 152.441 3.3633  12613.57   555.314  12911.23   645.178  11762.72   1090.80  154.173 3.8637  146.679 6.8660  7.493484       7.878489  
1 1 1 -18 15  16 o 167.059 3.5407  15161.21   640.666  15213.41   743.576  15010.81   1262.18  167.257 4.1046  165.469 7.0426  1.787674       8.151461  
1 1 1 -18 15  17 o 16.635  6.3814  102.602    161.228  179.857    209.211  -10.3793   253.001  20.092  7.3580  17.439  7.4795  2.652060       10.49201  
1 1 1 -18 15  18 o 57.976  3.3812  1834.27    211.398  1893.42    324.349  1790.59    278.733  58.615  5.1616  57.103  4.5443  1.512676       6.877011  
1 1 1 -18 15  19 o 42.601  4.3114  1000.92    196.197  1221.36    294.430  824.861    263.130  46.763  5.9478  38.139  6.6094  8.623711       8.891541  
1 1 1 -18 15  20 o 139.561 3.3512  10609.25   506.560  10395.78   724.828  10813.05   708.227  137.712 4.8595  140.519 4.6534  -2.807083      6.728221  
1 1 1 -18 15  21 o 96.324  3.1694  5055.50    330.656  4666.37    469.704  5437.80    465.560  92.085  4.7253  99.641  4.3139  -7.556740      6.398281  
1 1 1 -18 15  22 f 74.401  3.4608  3023.06    278.886  3119.70    408.638  2938.81    381.561  75.064  5.0556  72.907  4.8598  2.157608       7.012623  
1 1 1 -18 15  23 o 52.504  4.3996  1526.94    247.888  1608.44    392.076  1472.67    319.950  53.032  6.9967  51.110  5.8873  1.921841       9.144080  
1 1 1 -18 15  24 o 31.245  6.8555  572.649    225.628  812.140    370.279  431.208    284.559  36.515  9.3285  27.232  8.6134  9.283340       12.69689  
1 1 1 -18 15  25 o 69.381  3.8345  2658.66    287.034  2888.84    450.452  2501.30    372.440  71.418  5.8755  66.750  5.1924  4.667976       7.841035  
1 1 1 -18 15  26 o 35.915  6.5424  756.653    245.124  1002.61    415.652  625.498    303.522  39.938  9.7043  31.911  8.5912  8.027855       12.96077  
1 1 1 -18 15  27 o 32.533  7.0390  639.185    240.829  778.839    387.246  551.107    307.535  34.648  9.8519  29.641  8.8805  5.007698       13.26359  
1 1 1 -18 15  28 o 29.342  7.7299  547.647    249.087  909.639    419.413  350.396    309.601  36.174  10.242  24.303  8.9433  11.87134       13.59670  
1 1 1 -18 15  29 o 35.368  8.6705  842.516    329.575  866.939    407.224  796.147    561.108  34.563  10.186  31.815  11.975  2.748510       15.72139  
1 1 1 -18 15  30 o 14.861  2.1709  123.802    33.910   123.802    33.910   0.0000     0.0000   14.861  2.1709  ?       ?       0.000000       2.170857  
1 1 1 -18 15  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 15  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 16  1  o 82.713  2.7681  3707.39    247.985  3663.50    341.033  3756.63    361.246  82.197  3.8306  83.230  4.0073  -1.033234      5.543659  
1 1 1 -18 16  2  o 119.769 2.9569  7774.17    383.578  7997.66    537.667  7542.53    547.385  121.437 4.0878  117.923 4.2857  3.514290       5.922637  
1 1 1 -18 16  3  o 86.420  2.6390  4046.98    247.021  4387.70    360.714  3746.09    338.979  89.959  3.7021  83.120  3.7653  6.838814       5.280425  
1 1 1 -18 16  4  o 126.131 3.0195  8622.28    412.504  8458.29    573.852  8797.62    593.376  124.878 4.2427  127.355 4.3017  -2.477570      6.041991  
1 1 1 -18 16  5  o 211.110 3.5614  24162.33   814.323  23262.56   1046.90  25540.71   1295.75  207.060 4.6681  216.881 5.5161  -9.820618      7.226203  
1 1 1 -18 16  6  o 159.437 4.1125  13787.25   710.167  14005.90   823.363  13152.01   1403.42  160.657 4.7318  155.128 8.3839  5.529175       9.626979  
1 1 1 -18 16  7  o 197.698 4.4832  21205.90   959.977  20757.61   1176.13  22100.64   1661.60  195.500 5.5544  201.472 7.6145  -5.972153      9.425060  
1 1 1 -18 16  8  o 252.432 4.5908  34579.66   1255.17  33928.34   1447.88  36549.53   2518.02  249.952 5.3482  258.772 8.9840  -8.820511      10.45542  
1 1 1 -18 16  9  o 166.292 3.4818  14994.29   627.120  14010.79   722.974  17983.10   1260.33  160.703 4.1536  181.842 6.3991  -21.13898      7.628999  
1 1 1 -18 16  10 o 164.060 3.5028  14595.95   622.422  14296.16   718.861  15493.82   1244.07  162.327 4.0887  168.717 6.8079  -6.389175      7.941375  
1 1 1 -18 16  11 o 218.632 4.1550  25938.49   983.919  25904.45   1136.35  26040.44   1966.69  218.414 4.8036  218.400 8.3141  0.1449585E-01  9.601960  
1 1 1 -18 16  12 o 25.776  6.3011  376.109    174.439  463.625    215.750  210.899    296.430  28.603  7.0171  23.045  8.6973  5.557821       11.17510  
1 1 1 -18 16  13 o 109.254 3.0683  6473.17    363.086  6507.54    424.635  6379.70    700.214  109.516 3.5799  108.085 6.0050  1.430977       6.991079  
1 1 1 -18 16  14 o 214.221 4.1332  24925.71   959.003  24437.75   1109.57  26366.56   1906.66  211.999 4.8323  219.432 8.0224  -7.433060      9.365309  
1 1 1 -18 16  15 o 153.401 3.4436  12775.19   572.151  12462.47   666.791  13648.28   1114.14  151.438 4.0652  158.056 6.5081  -6.617905      7.673444  
1 1 1 -18 16  16 o 163.597 3.5072  14539.51   621.447  14487.32   721.216  14689.96   1224.59  163.213 4.0798  163.707 6.9064  -0.4937286     8.021437  
1 1 1 -18 16  17 o 75.504  3.2310  3097.38    264.223  2975.33    319.339  3362.32    470.481  73.829  4.0085  78.219  5.5902  -4.390305      6.878870  
1 1 1 -18 16  18 o 112.039 3.0334  6822.04    368.107  6978.31    535.557  6682.11    506.796  113.100 4.3719  110.700 4.2268  2.399940       6.081117  
1 1 1 -18 16  19 o 26.359  6.3632  398.235    179.600  351.452    272.223  434.293    238.995  25.571  8.4524  27.546  7.7074  -1.975021      11.43882  
1 1 1 -18 16  20 o 34.524  5.8637  674.328    211.419  442.943    314.055  866.094    285.907  28.219  9.0620  38.933  7.0392  -10.71443      11.47472  
1 1 1 -18 16  21 o 25.850  6.9326  385.464    198.096  390.677    284.328  380.546    276.151  26.550  8.6316  26.210  8.5059  0.3404064      12.11837  
1 1 1 -18 16  22 o 43.701  4.8321  1063.56    224.887  1431.77    336.505  766.373    302.311  50.350  6.3090  36.167  7.9353  14.18259       10.13774  
1 1 1 -18 16  23 o 22.298  7.5791  266.059    218.725  430.818    353.664  164.009    278.339  27.967  9.6343  21.100  8.3024  6.867441       12.71804  
1 1 1 -18 16  24 o 46.212  4.9288  1196.79    242.893  1281.56    391.643  1143.80    309.633  46.626  8.0460  44.579  6.6133  2.046619       10.41508  
1 1 1 -18 16  25 o 36.446  1.7679  721.975    69.788   725.346    71.534   655.464    317.747  36.528  1.8081  32.762  8.7774  3.765888       8.961720  
1 1 1 -18 16  26 o 43.272  5.4709  1068.40    250.681  675.181    416.385  1291.95    313.953  32.789  10.424  47.282  6.2864  -14.49237      12.17316  
1 1 1 -18 16  27 o 16.795  7.1284  39.856     225.544  144.724    367.987  -23.2422   285.445  22.038  9.2144  17.555  7.7304  4.482471       12.02768  
1 1 1 -18 16  28 o 48.467  5.0514  1358.50    261.275  1638.75    417.852  1178.59    334.796  51.222  7.7762  43.635  7.3448  7.586521       10.69652  
1 1 1 -18 16  29 o 17.897  8.3656  -195.0078  402.397  -195.0078  402.397  0.0000     0.0000   17.897  8.3656  ?       ?       0.000000       8.365555  
1 1 1 -18 16  30 o 26.880  1.7869  396.948    51.726   396.948    51.726   0.0000     0.0000   26.880  1.7869  ?       ?       0.000000       1.786853  
1 1 1 -18 16  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 16  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 17  1  o 51.759  3.0655  1457.09    171.088  1411.48    229.184  1514.49    257.131  50.841  4.1996  52.640  4.5548  -1.798569      6.195395  
1 1 1 -18 17  2  o 88.956  2.7585  4288.19    265.781  4167.77    365.433  4423.43    387.257  87.671  3.8484  90.317  3.9588  -2.645653      5.521080  
1 1 1 -18 17  3  o 34.989  4.0323  672.695    150.014  431.087    196.332  1011.63    232.539  27.612  6.6452  42.871  5.1086  -15.25889      8.381882  
1 1 1 -18 17  4  o 93.201  2.8567  4707.51    288.375  5009.48    395.094  4363.24    421.870  96.118  3.7951  89.687  4.3429  6.431076       5.767466  
1 1 1 -18 17  5  o 164.014 3.4589  14583.55   614.461  15264.30   709.606  12543.32   1228.47  167.775 3.9050  151.816 7.4709  15.95821       8.429937  
1 1 1 -18 17  6  o 343.770 6.8799  64274.71   2561.64  63293.36   3136.27  66241.48   4439.95  340.751 8.4978  347.548 11.795  -6.796722      14.53724  
1 1 1 -18 17  7  o 111.854 3.4244  6783.00    414.869  7329.60    511.658  5733.92    708.843  116.247 4.0637  102.501 6.4172  13.74674       7.595716  
1 1 1 -18 17  8  o 321.476 5.6024  56141.43   1950.70  54810.14   2251.33  60151.72   3907.41  317.461 6.5475  331.338 10.888  -13.87646      12.70506  
1 1 1 -18 17  9  o 166.444 3.4655  15021.88   624.739  14189.42   719.457  17573.77   1259.67  161.725 4.1073  179.745 6.4704  -18.02023      7.663910  
1 1 1 -18 17  10 f 58.526  3.3013  1863.12    208.417  1991.84    239.002  1454.55    425.815  60.491  3.6652  51.053  7.9604  9.438461       8.763621  
1 1 1 -18 17  11 o 41.603  4.3335  949.570    192.406  1051.36    225.387  676.099    369.432  43.735  4.8392  34.616  9.5449  9.118374       10.70150  
1 1 1 -18 17  12 o 191.952 3.8286  19993.05   795.983  19556.93   919.983  21291.65   1587.51  189.779 4.4757  197.555 7.4192  -7.776184      8.664695  
1 1 1 -18 17  13 o 57.897  3.6391  1826.12    227.045  1519.37    275.469  2475.94    400.938  52.649  4.8864  67.233  5.5557  -14.58373      7.398833  
1 1 1 -18 17  14 o 60.623  3.5108  2001.26    229.538  1966.30    276.948  2077.97    410.236  60.007  4.2894  61.420  6.2540  -1.412979      7.583621  
1 1 1 -18 17  15 f 72.685  3.2022  2867.36    252.095  3285.36    303.818  1943.46    451.684  77.780  3.6064  59.157  7.1979  18.62311       8.050819  
1 1 1 -18 17  16 o 145.977 3.3411  11573.65   528.248  11338.49   614.086  12242.85   1035.93  144.407 3.9262  149.562 6.3950  -5.155045      7.504056  
1 1 1 -18 17  17 o 107.638 3.1084  6293.88    362.385  6227.00    427.814  6463.74    681.824  106.997 3.6916  108.509 5.8227  -1.512672      6.894318  
1 1 1 -18 17  18 o 139.835 3.2292  10632.74   489.075  11006.71   703.218  10282.39   680.648  141.982 4.5729  137.229 4.5794  4.752777       6.471614  
1 1 1 -18 17  19 o 88.617  3.1605  4272.52    303.354  3788.00    429.434  4755.12    428.581  83.059  4.7939  93.316  4.2404  -10.25739      6.400177  
1 1 1 -18 17  20 o 138.182 3.3543  10402.19   502.023  9805.84    718.229  10971.87   701.986  133.692 4.9601  141.553 4.5787  -7.860519      6.750293  
1 1 1 -18 17  21 o 73.633  3.3648  2957.19    268.350  2746.92    382.822  3160.34    376.271  70.484  5.0480  75.752  4.6079  -5.267776      6.834875  
1 1 1 -18 17  22 o 71.536  3.5231  2796.20    272.977  2855.15    401.542  2745.54    372.220  71.734  5.2035  70.430  4.9102  1.304695       7.154483  
1 1 1 -18 17  23 o 56.347  4.2504  1755.19    257.489  1331.29    403.162  2047.21    334.628  47.720  8.0891  60.603  5.1467  -12.88251      9.587608  
1 1 1 -18 17  24 o 87.596  3.4538  4205.17    327.679  4148.44    499.180  4248.12    434.367  86.128  5.3780  87.531  4.5978  -1.403061      7.075508  
1 1 1 -18 17  25 o 67.361  4.1077  2514.75    298.264  2779.62    462.569  2326.25    390.218  69.856  6.1773  64.113  5.6781  5.742897       8.390492  
1 1 1 -18 17  26 f 22.681  7.6806  288.305    224.615  532.474    367.699  142.952    283.699  29.626  9.8249  20.468  8.2712  9.158138       12.84290  
1 1 1 -18 17  27 o 30.353  2.5079  507.573    81.711   465.947    84.726   1061.41    309.051  29.027  2.7269  42.119  7.0218  -13.09179      7.532733  
1 1 1 -18 17  28 o 24.092  7.8743  361.763    236.509  370.365    386.136  356.599    299.201  25.251  9.8241  24.275  8.8131  0.9756603      13.19782  
1 1 1 -18 17  29 o 30.158  10.572  666.942    426.785  666.942    426.785  0.0000     0.0000   30.158  10.572  ?       ?       0.000000       10.57235  
1 1 1 -18 17  30 o 25.277  10.454  407.341    466.286  407.341    466.286  0.0000     0.0000   25.277  10.454  ?       ?       0.000000       10.45386  
1 1 1 -18 17  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 17  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 18  1  o 305.278 5.4062  50597.63   1787.54  51625.44   2527.06  49568.35   2528.88  307.988 7.5755  301.757 7.7375  6.230743       10.82853  
1 1 1 -18 18  2  o 49.620  3.1629  1339.97    169.104  1372.19    221.441  1294.89    261.922  50.132  4.1145  48.584  5.0513  1.547867       6.514937  
1 1 1 -18 18  3  o 247.294 4.5288  33177.25   1213.02  33162.27   1713.02  33192.32   1717.92  247.020 6.4027  247.130 6.4181  -0.1097565     9.065659  
1 1 1 -18 18  4  o 324.427 5.6335  57158.52   1979.53  55119.73   2797.01  59204.54   2801.96  318.114 8.1178  329.754 7.8452  -11.63928      11.28919  
1 1 1 -18 18  5  o 360.192 6.2207  70503.38   2426.87  71198.30   2801.48  68413.71   4858.03  361.762 7.1498  352.885 12.710  8.877319       14.58329  
1 1 1 -18 18  6  o 240.879 5.1347  31498.46   1339.63  31508.33   1639.57  31478.64   2323.53  240.771 6.2872  240.215 8.9305  0.5559845      10.92169  
1 1 1 -18 18  7  o 105.370 4.1277  6022.52    471.081  5209.27    663.569  6848.85    668.881  97.691  6.3050  112.295 5.4994  -14.60469      8.366423  
1 1 1 -18 18  8  o 232.015 4.3214  29206.81   1085.95  28652.21   1252.46  30886.52   2179.66  229.725 5.0337  237.964 8.4568  -8.239639      9.841525  
1 1 1 -18 18  9  o 65.814  2.4572  2347.22    175.157  2278.21    258.041  2406.18    238.526  64.707  3.6972  66.618  3.3058  -1.910316      4.959569  
1 1 1 -18 18  10 o 126.852 3.0955  8723.75    425.301  8248.73    489.451  10187.93   859.319  123.324 3.6643  136.902 5.7953  -13.57752      6.856577  
1 1 1 -18 18  11 o 125.243 3.1288  8504.89    424.428  8686.00    490.772  7967.57    845.328  126.546 3.5806  120.813 6.4838  5.733116       7.406806  
1 1 1 -18 18  12 o 46.595  3.8914  1186.34    194.588  1258.08    224.449  969.239    390.441  47.939  4.3708  41.295  8.9848  6.643345       9.991552  
1 1 1 -18 18  13 o 33.190  5.5089  615.174    191.092  638.392    239.198  574.215    317.701  33.618  6.8028  31.901  8.8723  1.716455       11.18017  
1 1 1 -18 18  14 o 121.733 3.1361  8039.56    413.497  8037.21    483.047  8045.99    799.886  121.675 3.6654  121.329 6.1064  0.3464661      7.122026  
1 1 1 -18 18  15 o 55.422  3.6460  1675.45    217.641  1710.06    265.291  1604.19    380.616  55.901  4.4176  53.761  6.6806  2.139591       8.009068  
1 1 1 -18 18  16 o 73.731  3.1310  2951.74    250.041  3125.69    298.539  2542.97    457.647  75.838  3.6345  67.886  6.2958  7.952522       7.269560  
1 1 1 -18 18  17 o 72.993  3.2064  2895.19    253.496  3144.76    307.412  2364.88    448.114  76.028  3.7331  65.339  6.4148  10.68986       7.422022  
1 1 1 -18 18  18 o 14.555  5.9919  36.969     152.259  -28.5182   256.374  72.654     189.250  17.210  7.4556  16.802  6.7675  0.4075565      10.06903  
1 1 1 -18 18  19 o 62.698  3.5778  2148.55    241.958  1913.90    342.952  2381.10    341.415  58.798  5.4470  65.778  4.8259  -6.979652      7.277284  
1 1 1 -18 18  20 o 30.787  6.3887  543.060    206.057  662.863    307.005  444.845    277.970  33.704  8.4312  27.966  8.4574  5.737759       11.94203  
1 1 1 -18 18  21 o 24.960  1.1741  337.680    31.741   339.921    31.966   179.884    268.232  25.042  1.1785  21.327  8.2185  3.714918       8.302543  
1 1 1 -18 18  22 o 15.390  6.6233  -7.1515    199.631  244.798    304.253  -197.6157  264.536  23.400  8.8159  15.007  6.9345  8.393897       11.21642  
1 1 1 -18 18  23 o 21.045  7.5353  220.694    217.811  259.330    352.674  196.871    276.940  24.481  9.4266  21.726  8.3567  2.754927       12.59743  
1 1 1 -18 18  24 o 85.307  3.5576  3991.57    328.705  4091.12    513.020  3922.25    428.129  85.416  5.5759  84.035  4.7229  1.381104       7.307266  
1 1 1 -18 18  25 o 124.467 3.4203  8506.57    461.099  9073.48    691.985  8053.83    618.389  127.550 5.0089  120.349 4.7440  7.200714       6.898933  
1 1 1 -18 18  26 o 27.685  7.4777  461.779    229.507  421.257    373.706  486.318    290.809  27.320  9.8600  28.302  8.6698  -0.9822807     13.12953  
1 1 1 -18 18  27 o 48.556  5.0532  1345.53    261.860  1098.40    433.440  1487.58    328.609  41.021  9.8744  50.494  6.1346  -9.472820      11.62484  
1 1 1 -18 18  28 o 19.058  7.5526  161.851    231.877  -141.2874  379.049  343.127    293.120  18.131  8.3508  23.889  8.7154  -5.757650      12.07036  
1 1 1 -18 18  29 o 29.602  10.255  632.553    400.989  632.553    400.989  0.0000     0.0000   29.602  10.255  ?       ?       0.000000       10.25513  
1 1 1 -18 18  30 o 28.919  10.950  649.060    470.866  649.060    470.866  0.0000     0.0000   28.919  10.950  ?       ?       0.000000       10.95011  
1 1 1 -18 18  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 18  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 19  1  o 100.536 2.8826  5477.75    313.889  5947.98    435.884  4971.23    452.388  104.733 3.8425  95.730  4.3631  9.002701       5.813883  
1 1 1 -18 19  2  o 25.936  4.9598  377.279    134.249  621.629    169.249  -37.2955   220.456  33.508  4.8006  15.884  6.8975  17.62416       8.403651  
1 1 1 -18 19  3  o 248.494 4.5599  33501.38   1227.28  34613.29   1733.21  32383.21   1738.08  252.369 6.3408  244.072 6.5748  8.297485       9.134204  
1 1 1 -18 19  4  o 316.552 5.9034  54434.38   2024.01  54891.39   2174.43  51469.68   5538.24  317.806 6.3170  304.023 16.885  13.78348       18.02822  
1 1 1 -18 19  5  o 149.923 3.2322  12183.89   524.851  11647.34   604.712  13822.35   1056.72  146.557 3.8095  159.490 6.1173  -12.93300      7.206491  
1 1 1 -18 19  6  o 67.024  3.0014  2434.84    217.882  2457.39    251.559  2367.16    435.916  67.235  3.4662  65.708  6.1984  1.527817       7.101729  
1 1 1 -18 19  7  o 104.861 4.1422  5964.78    470.458  6133.58    663.694  5794.31    666.974  106.093 5.7977  103.085 5.9997  3.008453       8.343224  
1 1 1 -18 19  8  o 249.740 4.5595  33848.17   1233.31  32475.64   1423.24  37985.83   2471.13  244.523 5.3739  263.839 8.6474  -19.31635      10.18118  
1 1 1 -18 19  9  o 157.332 3.3883  13421.85   577.398  13188.73   668.690  14105.08   1144.74  155.925 3.9595  161.013 6.5641  -5.088531      7.665860  
1 1 1 -18 19  10 o 130.538 3.1545  9238.50    446.001  8898.31    515.285  10254.53   890.516  128.084 3.7144  137.327 5.9871  -9.243256      7.045690  
1 1 1 -18 19  11 o 102.920 3.0148  5742.93    336.071  5470.63    388.144  6558.44    671.715  100.427 3.5684  109.681 5.6738  -9.253746      6.702613  
1 1 1 -18 19  12 o 262.748 4.7823  37505.80   1360.96  37511.74   1571.07  37487.94   2724.16  262.630 5.5231  261.425 9.6209  1.204559       11.09349  
1 1 1 -18 19  13 o 265.324 4.8062  38263.79   1381.17  37378.57   1595.69  40908.09   2757.92  262.060 5.6219  272.957 9.3286  -10.89716      10.89165  
1 1 1 -18 19  14 o 91.242  3.0728  4516.45    303.673  4443.23    358.359  4702.94    571.935  90.466  3.6573  92.732  5.7224  -2.265564      6.791265  
1 1 1 -18 19  15 o 106.238 3.1060  6125.71    357.398  5799.12    419.537  6989.80    682.415  103.316 3.7492  113.210 5.5653  -9.894524      6.710379  
1 1 1 -18 19  16 o 78.946  3.1399  3384.34    268.484  3431.77    322.138  3276.45    485.851  79.452  3.7434  77.205  5.8537  2.247185       6.948307  
1 1 1 -18 19  17 o 28.055  5.9438  447.300    174.993  390.423    219.883  545.557    289.007  26.252  7.4095  30.868  8.4138  -4.615524      11.21134  
1 1 1 -18 19  18 o 130.272 3.1829  9228.59    449.093  9794.57    529.510  7778.07    847.687  134.121 3.6451  118.609 6.6250  15.51171       7.561575  
1 1 1 -18 19  19 o 103.450 3.1425  5822.97    352.103  5785.00    498.527  5860.76    497.374  102.864 4.4746  103.544 4.4350  -0.6800461     6.300092  
1 1 1 -18 19  20 f 74.018  3.3398  2985.17    267.748  2894.37    381.532  3073.28    375.839  72.474  4.8890  74.747  4.6657  -2.272324      6.758045  
1 1 1 -18 19  21 o 55.727  4.0144  1707.91    240.680  1369.48    355.849  1993.26    326.755  49.107  6.8792  59.964  5.0788  -10.85736      8.550879  
1 1 1 -18 19  22 o 13.243  6.1106  -152.5767  204.326  -282.0665  332.478  -73.9915   259.010  16.393  7.6430  16.439  7.2948  -0.4559517E-01 10.56552  
1 1 1 -18 19  23 o 50.671  2.3938  1397.39    131.374  1062.22    406.820  1436.41    138.811  42.059  9.1876  51.362  2.4952  -9.303486      9.520392  
1 1 1 -18 19  24 o 57.353  2.6193  1793.86    162.709  1923.06    367.331  1762.32    181.484  58.296  5.8989  56.716  2.9647  1.579983       6.602005  
1 1 1 -18 19  25 o 50.689  2.3498  1400.67    129.009  1214.91    397.905  1422.49    136.376  44.882  8.4965  51.065  2.4657  -6.183414      8.847039  
1 1 1 -18 19  26 o 85.271  3.5195  4004.76    325.046  4218.55    497.775  3845.83    429.182  86.432  5.3434  82.839  4.8040  3.592880       7.185464  
1 1 1 -18 19  27 o 22.064  7.7610  273.514    230.077  949.485    380.097  -117.3912  289.045  38.405  9.2483  16.347  7.4391  22.05747       11.86889  
1 1 1 -18 19  28 o 40.334  1.7320  887.475    75.664   911.373    78.000   506.262    311.523  40.868  1.7621  27.644  9.0373  13.22373       9.207507  
1 1 1 -18 19  29 o 54.948  8.2280  1963.85    474.616  1963.85    474.616  0.0000     0.0000   54.948  8.2280  ?       ?       0.000000       8.228013  
1 1 1 -18 19  30 o 27.466  10.764  561.248    466.180  561.248    466.180  0.0000     0.0000   27.466  10.764  ?       ?       0.000000       10.76417  
1 1 1 -18 19  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 19  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 20  1  o 69.319  2.8477  2604.11    213.804  2739.90    290.475  2443.56    315.843  70.983  3.7919  66.973  4.3782  4.009735       5.792029  
1 1 1 -18 20  2  o 162.473 3.5250  14311.42   620.315  14577.05   834.385  13983.20   927.501  163.904 4.7001  160.486 5.3359  3.418579       7.110754  
1 1 1 -18 20  3  o 110.763 2.5972  6648.05    311.578  7062.19    396.982  5983.64    502.819  114.143 3.2111  105.023 4.4204  9.120178       5.463562  
1 1 1 -18 20  4  o 114.304 2.9114  7081.07    360.446  7084.20    414.295  7071.35    731.107  114.316 3.3461  113.934 5.9452  0.3815842      6.822124  
1 1 1 -18 20  5  o 229.999 4.3172  28696.96   1075.48  29613.00   1241.06  25934.56   2155.16  233.583 4.9055  218.002 9.1274  15.58040       10.36211  
1 1 1 -18 20  6  o 327.482 5.6978  58257.06   2020.98  57125.49   2332.70  61662.63   4046.81  324.106 6.6451  335.468 11.138  -11.36206      12.96931  
1 1 1 -18 20  7  o 49.608  4.0056  1343.50    213.386  1260.55    261.443  1509.01    369.312  47.914  5.1170  52.253  6.6783  -4.339176      8.413287  
1 1 1 -18 20  8  o 198.706 4.5124  21428.00   971.151  20949.01   1190.33  22381.57   1679.50  196.360 5.5968  202.677 7.6508  -6.316605      9.479389  
1 1 1 -18 20  9  o 199.486 3.9078  21586.66   844.339  21142.66   974.023  22928.97   1693.57  197.365 4.5565  205.117 7.6231  -7.752411      8.881046  
1 1 1 -18 20  10 o 34.937  4.7812  675.005    176.171  783.792    201.124  316.388    365.166  37.653  5.0597  26.665  9.7278  10.98770       10.96494  
1 1 1 -18 20  11 o 65.970  3.1496  2359.84    225.044  2111.26    257.679  3158.98    462.019  62.261  3.8398  76.012  5.6523  -13.75066      6.833211  
1 1 1 -18 20  12 o 106.868 3.1167  6193.47    360.753  5476.62    419.084  8244.38    708.859  100.456 3.8517  123.136 5.3150  -22.67989      6.563914  
1 1 1 -18 20  13 o 126.867 3.1691  8730.69    435.468  8579.15    505.724  9165.29    856.423  125.722 3.7139  129.698 6.0965  -3.976112      7.138702  
1 1 1 -18 20  14 o 81.101  3.0727  3568.48    269.905  4076.85    321.106  2344.65    498.222  86.667  3.4208  65.091  7.1868  21.57544       7.959364  
1 1 1 -18 20  15 o 29.707  5.8138  498.092    180.364  587.020    225.143  338.775    301.350  32.173  6.6795  25.887  8.8946  6.285427       11.12341  
1 1 1 -18 20  16 o 106.978 3.0515  6214.08    353.573  6124.52    413.835  6456.18    680.409  106.150 3.5995  108.518 5.8100  -2.367485      6.834663  
1 1 1 -18 20  17 o 185.668 3.7384  18759.13   751.776  19200.95   871.400  17473.14   1486.67  187.700 4.2863  177.799 7.7200  9.901108       8.830069  
1 1 1 -18 20  18 o 100.700 3.1703  5514.63    345.776  5851.42    417.331  4777.19    617.536  103.649 3.7175  92.993  6.1661  10.65540       7.200033  
1 1 1 -18 20  19 o 78.143  3.1891  3323.21    269.917  3427.97    406.006  3240.23    361.328  78.987  4.7681  76.878  4.3573  2.108932       6.459180  
1 1 1 -18 20  20 f 61.046  3.6765  2040.55    241.949  1632.96    344.682  2436.45    339.706  54.064  5.9868  66.495  4.7480  -12.43111      7.641038  
1 1 1 -18 20  21 o 43.437  4.8451  1049.78    224.066  991.763    334.484  1097.01    301.787  41.383  7.7472  43.957  6.5379  -2.573589      10.13724  
1 1 1 -18 20  22 o 45.106  1.9718  1105.02    96.331   967.651    369.727  1115.02    99.778   40.449  8.6977  45.305  2.0334  -4.856606      8.932260  
1 1 1 -18 20  23 f 70.977  3.7465  2769.43    286.995  2957.27    450.139  2640.77    372.530  72.628  5.7699  68.895  5.0271  3.733322       7.652633  
1 1 1 -18 20  24 o 85.325  3.4670  3991.75    320.407  4218.75    482.610  3812.82    428.456  86.937  5.1483  82.798  4.7983  4.138908       7.037607  
1 1 1 -18 20  25 o 71.615  3.7465  2831.84    289.595  2892.70    446.098  2787.50    380.726  71.433  5.8163  70.518  5.0175  0.9148026      7.681457  
1 1 1 -18 20  26 o 32.580  2.2709  581.741    79.633   813.510    409.397  572.627    81.184   35.648  10.128  32.312  2.3355  3.336655       10.39331  
1 1 1 -18 20  27 o 69.008  3.9384  2660.03    293.149  2568.26    456.797  2724.29    382.244  66.141  6.4589  69.107  5.1436  -2.966194      8.256772  
1 1 1 -18 20  28 o 52.885  4.8291  1613.76    273.555  1702.01    453.013  1563.11    343.191  51.334  8.4412  50.936  6.3593  0.3982620      10.56854  
1 1 1 -18 20  29 o 16.575  8.0802  -579.0419  470.416  -579.0419  470.416  0.0000     0.0000   16.575  8.0802  ?       ?       0.000000       8.080189  
1 1 1 -18 20  30 o 35.068  11.206  1000.64    480.734  1000.64    480.734  0.0000     0.0000   35.068  11.206  ?       ?       0.000000       11.20648  
1 1 1 -18 20  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 20  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 21  1  o 265.916 4.8003  38373.54   1382.56  38654.54   1952.74  38091.08   1957.76  266.615 6.7622  264.654 6.8298  1.961273       9.611152  
1 1 1 -18 21  2  o 209.923 3.6227  23893.18   823.695  24630.53   1060.15  22770.10   1308.38  213.061 4.5940  204.730 5.9004  8.330750       7.477973  
1 1 1 -18 21  3  o 77.174  2.7277  3227.59    228.001  3531.46    259.822  2209.98    475.469  80.720  2.9718  63.353  7.0487  17.36744       7.649596  
1 1 1 -18 21  4  o 152.832 3.3179  12662.17   549.219  12696.90   632.492  12555.70   1107.37  153.017 3.8163  151.951 6.7286  1.066360       7.735488  
1 1 1 -18 21  5  o 237.629 4.6061  30640.84   1185.52  31426.57   1283.61  26081.37   3092.08  240.623 4.9252  217.311 13.200  23.31186       14.08855  
1 1 1 -18 21  6  o 187.348 3.7312  19033.57   757.129  18510.93   874.039  20604.62   1515.39  184.712 4.3688  194.572 7.1908  -9.860367      8.413915  
1 1 1 -18 21  7  o 311.554 6.3518  52779.30   2143.40  52501.55   2623.49  53336.86   3717.08  310.414 7.8031  311.939 11.002  -1.524506      13.48803  
1 1 1 -18 21  8  o 105.410 3.4080  6024.75    389.094  6115.56    476.081  5842.06    675.235  106.171 4.1401  103.488 6.0505  2.682495       7.331322  
1 1 1 -18 21  9  o 203.557 3.9615  22478.32   873.415  22294.31   1007.87  23033.25   1750.28  202.662 4.5916  205.534 7.8624  -2.871445      9.104923  
1 1 1 -18 21  10 o 241.423 4.4775  31639.49   1170.82  31489.46   1351.76  32090.06   2342.61  240.753 5.1839  242.283 8.9270  -1.530304      10.32300  
1 1 1 -18 21  11 o 173.463 3.5818  16322.46   672.945  15471.94   776.243  18895.37   1350.11  168.826 4.2451  186.244 6.6929  -17.41826      7.925673  
1 1 1 -18 21  12 o 115.684 3.1369  7257.90    393.047  7407.20    456.651  6831.12    772.065  116.840 3.6085  111.797 6.4027  5.043762       7.349557  
1 1 1 -18 21  13 o 155.527 3.4209  13125.24   576.252  12450.58   666.349  15126.34   1147.61  151.415 4.0631  166.558 6.3615  -15.14316      7.548329  
1 1 1 -18 21  14 o 104.339 3.0370  5906.60    343.208  5955.43    400.725  5772.16    664.875  104.736 3.5325  102.699 6.0034  2.037056       6.965602  
1 1 1 -18 21  15 o 28.618  5.9727  463.789    179.144  260.550    222.983  833.779    300.859  22.586  7.6526  38.336  7.5145  -15.74947      10.72522  
1 1 1 -18 21  16 o 72.499  3.1581  2854.77    247.986  2771.46    294.795  3056.44    458.637  71.282  3.8323  74.556  5.7233  -3.273102      6.887885  
1 1 1 -18 21  17 o 102.325 2.9236  5687.60    324.020  5956.77    393.653  5122.08    570.579  104.653 3.4729  96.587  5.4767  8.066010       6.484964  
1 1 1 -18 21  18 o 38.964  4.9045  843.264    202.396  567.653    264.202  1234.76    314.884  31.368  7.8073  46.944  6.3564  -15.57606      10.06766  
1 1 1 -18 21  19 o 58.380  3.8241  1866.77    240.465  1775.94    350.760  1947.30    330.300  56.515  5.8132  59.356  5.1900  -2.840435      7.792854  
1 1 1 -18 21  20 o 136.349 3.2980  10130.18   487.052  9904.62    690.692  10353.28   686.916  134.382 4.7454  137.439 4.6145  -3.057159      6.619084  
1 1 1 -18 21  21 o 137.987 3.3725  10389.37   504.042  10578.28   725.659  10213.26   700.644  138.690 4.8308  136.312 4.7456  2.377502       6.771809  
1 1 1 -18 21  22 o 18.109  7.1824  107.218    209.854  227.381    336.167  30.491     268.623  23.671  9.1783  18.401  7.7931  5.269249       12.04052  
1 1 1 -18 21  23 o 48.043  2.2854  1255.82    118.923  1250.07    128.467  1290.30    314.409  47.849  2.4874  47.625  6.2458  0.2236443      6.722873  
1 1 1 -18 21  24 o 101.334 3.3244  5625.32    364.872  6522.76    542.546  4884.27    493.016  108.544 4.6149  93.692  4.8752  14.85188       6.713004  
1 1 1 -18 21  25 o 75.733  3.6673  3156.91    300.816  3052.38    462.611  3233.50    395.958  73.347  5.8725  76.058  4.8316  -2.710632      7.604633  
1 1 1 -18 21  26 o 100.884 3.4066  5603.16    372.237  5649.06    558.875  5566.56    499.037  100.119 5.1715  99.877  4.6132  0.2418213      6.930043  
1 1 1 -18 21  27 o 47.970  2.6272  1266.06    135.982  1673.66    436.076  1222.16    143.118  52.164  7.9713  47.072  2.8201  5.091991       8.455447  
1 1 1 -18 21  28 o 15.451  7.2102  -186.5915  296.990  -188.6345  430.922  -184.7431  409.881  18.740  8.7252  18.320  8.5229  0.4200287      12.19713  
1 1 1 -18 21  29 o 32.366  2.1014  576.822    73.270   576.822    73.270   0.0000     0.0000   32.366  2.1014  ?       ?       0.000000       2.101440  
1 1 1 -18 21  30 o 25.187  10.674  399.801    504.396  399.801    504.396  0.0000     0.0000   25.187  10.674  ?       ?       0.000000       10.67357  
1 1 1 -18 21  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 21  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 22  1  o 79.516  2.8501  3426.65    245.466  3463.89    332.801  3382.22    363.511  79.922  3.8446  78.847  4.2726  1.075562       5.747634  
1 1 1 -18 22  2  o 175.984 3.7576  16793.71   716.234  16747.66   786.301  17018.06   1735.70  175.719 4.1314  176.370 9.1173  -0.6515503     10.00968  
1 1 1 -18 22  3  o 97.251  2.7904  5125.53    293.918  5325.50    336.627  4484.06    602.918  99.121  3.1356  90.627  6.1791  8.493362       6.929173  
1 1 1 -18 22  4  o 328.201 6.1410  58538.54   2182.98  59112.95   2343.36  54767.79   6003.99  329.725 6.5617  312.975 17.785  16.75061       18.95694  
1 1 1 -18 22  5  o 310.750 5.5102  52446.55   1854.58  53648.99   2140.22  48822.18   3715.73  314.155 6.2899  298.381 11.497  15.77393       13.10555  
1 1 1 -18 22  6  o 98.866  2.8794  5297.68    308.334  5511.98    354.271  4628.36    626.104  100.835 3.2438  92.052  6.3180  8.782265       7.102067  
1 1 1 -18 22  7  o 103.741 3.3862  5835.10    380.478  6410.61    463.210  4641.52    667.082  108.714 3.9339  92.121  6.7323  16.59229       7.797441  
1 1 1 -18 22  8  o 134.898 3.7735  9869.83    551.336  9622.24    653.846  10479.00   1025.61  133.150 4.5338  138.759 6.8242  -5.608780      8.193001  
1 1 1 -18 22  9  o 205.776 3.9447  22971.27   879.182  22031.73   1013.01  25839.06   1769.83  201.456 4.6426  217.748 7.5043  -16.29137      8.824272  
1 1 1 -18 22  10 o 302.744 5.3686  49810.09   1760.38  49304.08   2031.90  51332.98   3524.99  301.019 6.2322  305.769 10.644  -4.750153      12.33408  
1 1 1 -18 22  11 o 132.408 3.1948  9507.50    458.170  9165.30    529.481  10527.44   914.106  129.969 3.7613  139.082 6.0682  -9.112228      7.139328  
1 1 1 -18 22  12 o 184.672 3.7487  18508.15   749.811  18233.47   867.049  19322.85   1493.23  183.227 4.3690  188.132 7.3281  -4.904816      8.531693  
1 1 1 -18 22  13 o 89.797  3.0916  4374.13    300.687  4197.68    349.602  4875.68    589.404  87.937  3.6705  94.434  5.7905  -6.496803      6.855844  
1 1 1 -18 22  14 o 204.716 3.9829  22770.42   883.132  23082.80   1021.34  21844.78   1758.11  206.007 4.5774  199.475 8.1375  6.531799       9.336522  
1 1 1 -18 22  15 o 137.610 3.2402  10282.09   482.943  10554.00   562.695  9521.59    941.037  139.359 3.7279  131.884 6.5879  7.475327       7.569510  
1 1 1 -18 22  16 o 38.140  4.5082  803.447    182.628  887.867    223.811  635.234    315.929  39.981  5.2990  33.262  8.6780  6.718475       10.16796  
1 1 1 -18 22  17 o 134.071 3.2208  9771.66    467.705  9703.69    544.805  9962.11    911.977  133.510 3.7675  134.663 6.2527  -1.152283      7.300029  
1 1 1 -18 22  18 o 20.654  7.2664  209.713    201.695  104.214    234.322  511.409    396.254  18.935  7.5643  30.664  10.201  -11.72838      12.69928  
1 1 1 -18 22  19 o 41.809  4.8855  970.391    217.060  407.476    316.842  1468.23    297.966  27.435  9.1212  51.419  5.4325  -23.98433      10.61642  
1 1 1 -18 22  20 o 86.373  3.2330  4064.59    302.453  4563.72    432.367  3586.30    423.245  91.296  4.3725  80.685  4.8659  10.61010       6.541862  
1 1 1 -18 22  21 o 89.344  2.9267  4347.71    283.212  4712.50    452.709  4113.14    363.023  92.653  4.5112  86.716  3.8651  5.936707       5.940553  
1 1 1 -18 22  22 o 71.519  3.5571  2797.11    275.543  2777.30    407.011  2813.87    374.385  70.644  5.3593  71.273  4.8792  -0.6288605     7.247660  
1 1 1 -18 22  23 o 27.791  7.2522  454.213    220.612  674.441    347.969  306.194    285.275  33.444  9.2796  24.259  8.6302  9.185249       12.67249  
1 1 1 -18 22  24 o 21.473  7.7817  230.815    233.116  825.639    353.651  -226.2224  309.996  36.835  8.9519  16.092  7.4608  20.74367       11.65335  
1 1 1 -18 22  25 o 35.248  6.5206  726.988    239.769  847.869    398.736  658.523    300.084  36.777  9.8240  32.869  8.3983  3.907795       12.92448  
1 1 1 -18 22  26 o 35.305  6.4412  734.225    237.233  1222.08    382.825  430.086    302.267  44.842  8.1837  26.838  8.9083  18.00423       12.09672  
1 1 1 -18 22  27 f 53.900  2.3701  1590.49    138.363  1647.59    151.990  1314.22    334.318  54.809  2.5603  46.858  6.7847  7.950981       7.251707  
1 1 1 -18 22  28 o 26.455  9.0969  460.686    315.246  198.425    447.428  719.222    444.239  23.139  9.9358  31.447  10.800  -8.307798      14.67493  
1 1 1 -18 22  29 o 25.864  10.461  422.632    454.218  422.632    454.218  0.0000     0.0000   25.864  10.461  ?       ?       0.000000       10.46079  
1 1 1 -18 22  30 o 22.210  9.8051  182.045    462.087  182.045    462.087  0.0000     0.0000   22.210  9.8051  ?       ?       0.000000       9.805102  
1 1 1 -18 22  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 22  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 23  1  o 85.468  2.5000  3958.22    231.424  4152.20    291.438  3627.13    380.748  87.524  3.0743  81.654  4.3205  5.869797       5.302670  
1 1 1 -18 23  2  o 285.728 5.1129  44320.16   1582.31  44327.69   1825.28  44297.39   3174.09  285.638 5.8999  284.602 10.297  1.036011       11.86749  
1 1 1 -18 23  3  o 322.233 7.3331  56514.56   2559.34  54680.20   2837.06  64531.71   5931.13  316.745 8.2697  341.109 16.054  -24.36383      18.05844  
1 1 1 -18 23  4  o 229.537 4.2424  28581.71   1054.72  27950.79   1216.18  30495.87   2118.35  226.920 4.9483  236.535 8.2686  -9.615280      9.636148  
1 1 1 -18 23  5  o 95.935  2.8208  4988.04    293.104  5111.88    335.164  4585.42    604.333  97.108  3.1866  91.648  6.1234  5.460350       6.902910  
1 1 1 -18 23  6  o 80.280  2.8380  3493.10    246.772  3535.47    283.490  3360.58    501.360  80.756  3.2411  78.413  5.9476  2.343315       6.773360  
1 1 1 -18 23  7  o 108.228 3.4205  6351.08    400.955  6508.63    490.148  6032.40    697.099  109.531 4.1316  105.156 6.1473  4.374718       7.406728  
1 1 1 -18 23  8  o 246.583 5.2226  33025.45   1394.83  34358.45   1707.23  30349.18   2419.02  251.347 6.2712  235.586 9.4803  15.76111       11.36675  
1 1 1 -18 23  9  o 181.332 3.6733  17834.38   721.448  17524.53   831.320  18779.70   1452.04  179.701 4.2712  185.666 7.2206  -5.965363      8.389289  
1 1 1 -18 23  10 o 145.514 3.2877  11482.50   518.165  11016.62   596.246  12920.05   1047.37  142.494 3.8633  154.078 6.2761  -11.58348      7.369833  
1 1 1 -18 23  11 o 202.246 3.9529  22199.03   865.906  22628.11   999.215  20905.11   1735.18  204.124 4.5195  195.573 8.1916  8.551254       9.355639  
1 1 1 -18 23  12 o 183.524 3.7254  18279.47   740.511  18426.77   855.388  17838.91   1479.37  184.197 4.2875  180.692 7.5590  3.505020       8.690350  
1 1 1 -18 23  13 f 188.458 4.0303  19290.35   822.669  18942.01   901.343  21028.47   2013.40  186.688 4.4576  195.464 9.5103  -8.776627      10.50314  
1 1 1 -18 23  14 o 270.042 4.8928  39695.74   1431.05  39457.56   1653.09  40408.05   2858.74  268.992 5.6740  270.389 9.7614  -1.397003      11.29068  
1 1 1 -18 23  15 o 152.289 3.4274  12597.60   565.324  12204.91   656.768  13720.63   1110.66  149.807 4.0477  158.319 6.4770  -8.512024      7.637785  
1 1 1 -18 23  16 o 58.346  3.4206  1856.67    215.219  1953.50    258.312  1636.87    389.176  59.777  4.0130  54.185  6.7797  5.591503       7.878326  
1 1 1 -18 23  17 o 35.682  1.7713  690.330    68.456   626.341    242.958  695.848    71.347   33.102  6.9956  35.775  1.8476  -2.673363      7.235464  
1 1 1 -18 23  18 o 100.903 3.2153  5539.08    351.391  5404.80    407.838  5925.95    692.265  99.585  3.7811  103.550 6.2009  -3.964760      7.262778  
1 1 1 -18 23  19 o 124.636 3.3484  8460.17    452.017  8547.46    527.999  8220.66    874.615  125.153 3.8951  121.679 6.6617  3.473175       7.716848  
1 1 1 -18 23  20 o 132.460 3.2979  9562.94    473.142  9635.16    673.198  9492.44    665.122  132.527 4.6899  131.550 4.6681  0.9773254      6.617165  
1 1 1 -18 23  21 o 145.261 3.4167  11517.81   537.565  11274.99   764.621  11755.13   755.917  143.112 4.9329  146.203 4.7736  -3.090988      6.864433  
1 1 1 -18 23  22 o 80.967  3.3924  3582.52    297.495  3522.15    436.361  3634.95    406.652  79.685  5.0824  81.111  4.6482  -1.426498      6.887421  
1 1 1 -18 23  23 o 48.600  4.6643  1316.21    242.510  1264.53    376.296  1352.93    317.159  46.523  7.7397  48.792  6.1372  -2.269592      9.877687  
1 1 1 -18 23  24 o 40.905  5.6650  953.230    244.244  865.566    399.303  1005.64    308.737  37.412  9.7540  41.474  7.1299  -4.062408      12.08204  
1 1 1 -18 23  25 o 20.896  7.2431  234.246    200.044  344.076    280.361  120.338    285.519  24.809  8.5761  20.160  8.2414  4.648350       11.89409  
1 1 1 -18 23  26 o 21.941  7.7963  260.312    232.744  417.269    401.263  180.735    285.716  27.325  10.158  21.120  8.3794  6.204689       13.16777  
1 1 1 -18 23  27 o 41.611  5.9802  1020.32    261.781  1076.12    454.920  992.691    320.088  39.709  10.439  40.052  7.6577  -0.3429909     12.94687  
1 1 1 -18 23  28 o 23.128  9.2740  282.600    353.671  568.172    476.010  -69.3185   528.420  28.658  10.972  21.534  9.8964  7.124472       14.77566  
1 1 1 -18 23  29 o 22.909  10.093  171.465    487.246  171.465    487.246  0.0000     0.0000   22.909  10.093  ?       ?       0.000000       10.09327  
1 1 1 -18 23  30 o 42.029  10.657  1362.86    485.817  1362.86    485.817  0.0000     0.0000   42.029  10.657  ?       ?       0.000000       10.65702  
1 1 1 -18 23  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 24  1  o 111.211 2.9227  6703.26    352.051  6940.77    402.975  5937.63    723.504  113.151 3.2881  104.308 6.4355  8.843788       7.226825  
1 1 1 -18 24  2  o 252.525 5.2235  34623.52   1428.69  34861.57   1564.98  33432.58   3500.42  253.328 5.7037  246.109 13.180  7.219330       14.36082  
1 1 1 -18 24  3  o 311.349 5.5257  52650.12   1863.38  53130.96   2150.16  51199.58   3734.51  312.621 6.3501  305.625 11.282  6.996552       12.94608  
1 1 1 -18 24  4  o 59.402  2.8542  1912.44    183.635  2006.06    206.636  1560.77    400.507  60.752  3.1511  53.083  7.1478  7.669430       7.811557  
1 1 1 -18 24  5  o 184.039 3.6521  18366.80   727.979  18681.65   840.412  17420.56   1456.92  185.572 4.1813  178.854 7.5209  6.717804       8.605021  
1 1 1 -18 24  6  o 202.011 3.9051  22134.57   854.424  21962.34   985.290  22656.82   1715.73  201.170 4.5220  203.909 7.7686  -2.738907      8.988866  
1 1 1 -18 24  7  o 144.386 3.2274  11302.35   504.722  11324.59   581.539  11234.45   1016.10  144.502 3.7157  143.706 6.5281  0.7953339      7.511494  
1 1 1 -18 24  8  o 117.110 4.2822  7442.24    543.171  6604.50    765.935  8289.77    770.403  109.994 6.4574  123.498 5.7595  -13.50394      8.652775  
1 1 1 -18 24  9  o 305.570 5.3856  50739.02   1782.45  50515.67   2056.66  51413.09   3572.95  304.721 6.2315  306.031 10.779  -1.309967      12.45090  
1 1 1 -18 24  10 o 277.510 4.9900  41840.11   1499.84  41908.90   1730.29  41632.20   3007.96  277.591 5.7550  275.461 10.082  2.129700       11.60876  
1 1 1 -18 24  11 o 79.760  3.1963  3450.20    276.122  3390.22    321.839  3617.48    537.487  79.042  3.7593  81.284  6.1507  -2.241646      7.208539  
1 1 1 -18 24  12 o 153.048 3.3776  12708.45   559.899  12324.64   646.646  13858.03   1119.12  150.667 3.9626  159.428 6.4810  -8.761261      7.596415  
1 1 1 -18 24  13 o 118.358 3.0691  7599.75    393.441  7685.06    456.166  7351.94    777.446  118.986 3.5396  115.934 6.2140  3.051979       7.151448  
1 1 1 -18 24  14 o 217.297 4.1922  25671.82   986.657  23872.55   1139.96  31044.62   1969.89  209.364 5.0271  237.872 7.6459  -28.50847      9.150457  
1 1 1 -18 24  15 o 149.456 3.3864  12133.65   548.180  12289.34   638.688  11698.13   1068.23  150.334 3.9225  146.089 6.7512  4.244598       7.807955  
1 1 1 -18 24  16 o 110.590 3.1199  6644.16    373.701  6494.22    438.321  7043.21    715.071  109.264 3.7038  113.268 5.8487  -4.003876      6.922775  
1 1 1 -18 24  17 o 75.194  2.7553  3071.05    224.403  3330.62    321.441  2824.28    313.418  78.204  3.7949  71.876  4.0424  6.327896       5.544583  
1 1 1 -18 24  18 f 42.825  4.9007  1016.66    223.224  956.011    259.219  1190.68    439.101  41.278  5.9715  45.262  9.2689  -3.983936      11.02593  
1 1 1 -18 24  19 o 95.950  3.4305  5015.98    356.512  4852.39    422.477  5420.59    664.437  94.244  4.1389  98.878  6.2361  -4.634125      7.484625  
1 1 1 -18 24  20 o 40.907  2.0425  908.493    90.497   919.593    309.118  907.453    94.644   39.966  7.4141  40.822  2.1481  -0.8560143     7.719056  
1 1 1 -18 24  21 o ?       ?       -124.4435  28.484   -124.6170  28.574   -97.0025   359.322  ?       ?       19.316  8.5809  0.000000       8.580908  
1 1 1 -18 24  22 o 37.073  5.7103  780.037    221.928  918.144    335.225  672.280    296.109  39.506  8.1062  33.698  8.1924  5.807449       11.52502  
1 1 1 -18 24  23 o 25.771  7.4421  388.058    219.340  516.096    349.199  304.625    281.887  29.680  9.5581  24.141  8.5798  5.538958       12.84410  
1 1 1 -18 24  24 o 72.332  3.7776  2885.32    294.923  3246.47    464.356  2641.15    381.822  75.895  5.6904  68.654  5.1728  7.240318       7.690148  
1 1 1 -18 24  25 o 63.073  4.1300  2208.72    280.582  2554.51    447.646  1984.97    360.096  66.826  6.2575  59.125  5.6935  7.701683       8.460089  
1 1 1 -18 24  26 o 35.843  1.5376  698.245    59.690   710.931    60.950   400.690    295.177  36.166  1.5560  26.032  8.8048  10.13390       8.941192  
1 1 1 -18 24  27 f 63.369  4.3071  2266.86    293.863  2848.65    494.428  1949.09    365.407  69.182  6.6816  57.700  5.9314  11.48146       8.934470  
1 1 1 -18 24  28 o 48.645  2.2978  1299.17    121.068  1330.27    125.101  840.104    480.651  49.209  2.3472  33.380  11.236  15.82899       11.47829  
1 1 1 -18 24  29 o 41.573  11.194  1331.23    515.224  1331.23    515.224  0.0000     0.0000   41.573  11.194  ?       ?       0.000000       11.19356  
1 1 1 -18 24  30 o 32.357  2.0242  577.090    70.584   577.090    70.584   0.0000     0.0000   32.357  2.0242  ?       ?       0.000000       2.024193  
1 1 1 -18 24  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 25  1  o 26.495  4.4982  391.471    124.467  402.605    136.373  335.929    304.586  26.822  4.8739  26.010  8.9419  0.8116074      10.18394  
1 1 1 -18 25  2  o 85.542  2.7655  3965.74    256.231  3976.46    290.333  3927.96    544.899  85.649  3.1297  84.811  5.9700  0.8377914      6.740591  
1 1 1 -18 25  3  o 213.179 4.1055  24651.39   947.943  25138.98   1092.61  23167.18   1906.28  215.223 4.6871  206.100 8.5396  9.122833       9.741331  
1 1 1 -18 25  4  o 214.385 4.0108  24929.67   931.306  24122.73   1073.20  27390.38   1874.08  210.824 4.6999  224.236 7.7164  -13.41219      9.035028  
1 1 1 -18 25  5  o 147.180 3.2493  11743.64   517.972  11867.67   595.868  11360.12   1047.83  147.930 3.7190  144.506 6.6947  3.424789       7.658349  
1 1 1 -18 25  6  o 105.667 2.9289  6052.12    335.208  6302.82    384.779  5262.85    682.732  107.820 3.2949  98.157  6.4579  9.663658       7.249877  
1 1 1 -18 25  7  o 154.300 3.3242  12908.80   555.549  12511.74   639.161  14135.59   1123.48  151.875 3.8856  161.203 6.4346  -9.327667      7.516783  
1 1 1 -18 25  8  o 91.461  4.2707  4539.47    423.068  4639.26    615.690  4450.20    582.321  92.151  6.2048  90.272  5.9898  1.878517       8.624220  
1 1 1 -18 25  9  f 228.819 4.2979  28418.51   1065.18  28808.74   1229.07  27241.06   2134.98  230.304 4.9273  223.223 8.8305  7.080688       10.11214  
1 1 1 -18 25  10 o 54.992  2.2256  1638.78    132.562  1403.35    239.236  1743.09    159.245  50.650  4.4047  56.708  2.5927  -6.058178      5.111137  
1 1 1 -18 25  11 o 144.617 3.3013  11344.19   517.105  11330.74   596.969  11384.61   1034.90  144.493 3.8145  144.528 6.6112  -0.3486633E-01 7.632677  
1 1 1 -18 25  12 o 34.543  5.0597  662.570    183.692  558.678    213.021  963.863    362.766  31.441  6.4711  41.215  8.4112  -9.773983      10.61241  
1 1 1 -18 25  13 o 64.922  2.6066  2285.58    183.290  2458.40    285.482  2164.39    239.072  67.160  3.9419  63.046  3.5151  4.114204       5.281518  
1 1 1 -18 25  14 f 31.369  5.9274  554.613    194.007  670.010    233.311  296.005    349.267  34.456  6.4899  25.816  9.4991  8.639294       11.50440  
1 1 1 -18 25  15 o 95.012  3.0488  4901.35    313.748  4971.00    370.059  4723.32    591.680  95.639  3.5725  92.758  5.9202  2.881233       6.914597  
1 1 1 -18 25  16 o 83.472  3.1064  3785.52    280.845  3856.47    333.930  3614.04    519.127  84.198  3.6617  81.000  5.9591  3.198341       6.994224  
1 1 1 -18 25  17 o 24.637  1.7425  330.766    46.199   589.192    242.903  321.066    47.058   32.046  7.1767  24.266  1.8033  7.779457       7.399829  
1 1 1 -18 25  18 o 20.702  7.2006  214.775    197.784  302.470    236.436  10.378     360.963  23.799  7.8777  20.976  8.9634  2.822300       11.93318  
1 1 1 -18 25  19 o 152.374 3.5140  12655.41   579.942  12246.72   674.335  13816.39   1136.56  149.700 4.1590  157.901 6.6456  -8.201340      7.839735  
1 1 1 -18 25  20 o 79.604  3.4167  3456.55    294.585  3128.48    432.656  3740.09    402.220  75.162  5.3496  82.464  4.5205  -7.301796      7.003801  
1 1 1 -18 25  21 o 62.197  3.7278  2122.73    249.970  2251.50    361.322  2004.52    346.186  63.650  5.2890  60.006  5.3838  3.644470       7.547112  
1 1 1 -18 25  22 o 76.588  3.4627  3207.79    287.243  3301.62    423.455  3127.83    390.938  77.106  5.0993  75.137  4.8294  1.968704       7.023204  
1 1 1 -18 25  23 o 25.797  1.0258  360.772    28.663   -47.3397   358.972  363.391    28.755   19.728  8.6787  25.891  1.0254  -6.162397      8.739083  
1 1 1 -18 25  24 o 43.500  5.3874  1072.34    248.398  823.490    403.919  1223.69    315.006  36.379  9.9597  46.075  6.4922  -9.696098      11.88882  
1 1 1 -18 25  25 o 71.159  3.9215  2803.13    301.068  3493.14    487.585  2377.95    382.749  78.499  5.7753  64.836  5.5024  13.66296       7.976875  
1 1 1 -18 25  26 o 20.568  7.7943  201.790    238.693  -206.0077  424.397  390.470    288.678  19.185  8.8361  25.704  8.7072  -6.518787      12.40538  
1 1 1 -18 25  27 o 72.976  3.0660  2941.88    242.342  3427.95    547.272  2823.32    270.286  75.761  6.7398  71.278  3.5010  4.482903       7.594899  
1 1 1 -18 25  28 o 63.626  7.5040  2532.99    507.181  2532.99    507.181  0.0000     0.0000   63.626  7.5040  ?       ?       0.000000       7.504044  
1 1 1 -18 25  29 o 31.478  11.080  771.549    469.047  771.549    469.047  0.0000     0.0000   31.478  11.080  ?       ?       0.000000       11.08029  
1 1 1 -18 25  30 o 23.305  10.981  11.758     717.831  11.758     717.831  0.0000     0.0000   23.305  10.981  ?       ?       0.000000       10.98115  
1 1 1 -18 25  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 26  1  f 52.900  3.0169  1521.77    172.142  1689.83    192.643  855.808    383.481  55.740  3.2044  38.819  9.2519  16.92101       9.791118  
1 1 1 -18 26  2  o 197.437 3.8945  21142.18   832.819  21478.86   960.691  20123.96   1670.69  198.957 4.4582  192.157 8.0273  6.800018       9.182184  
1 1 1 -18 26  3  o 122.224 2.9953  8097.35    396.517  8333.84    454.163  7339.14    813.212  123.981 3.3821  115.989 6.4993  7.991722       7.326654  
1 1 1 -18 26  4  o 74.595  2.7972  3015.83    225.995  3112.94    256.568  2679.64    477.372  75.779  3.1260  69.912  6.3743  5.867104       7.099564  
1 1 1 -18 26  5  o 98.712  2.8579  5281.42    305.551  5452.15    349.850  4732.42    627.356  100.284 3.2209  93.084  6.2589  7.199928       7.039092  
1 1 1 -18 26  6  o 124.853 3.0380  8450.13    410.828  8410.64    472.556  8572.36    831.372  124.541 3.5032  125.566 6.1130  -1.025002      7.045657  
1 1 1 -18 26  7  o 143.175 3.2042  11113.77   496.889  11078.68   571.994  11221.69   1003.11  142.922 3.6951  143.623 6.4484  -0.7009125     7.432079  
1 1 1 -18 26  8  o 101.802 3.4116  5620.00    376.170  5977.93    459.335  4891.08    655.493  104.965 4.0403  94.592  6.4362  10.37300       7.599288  
1 1 1 -18 26  9  o 136.143 3.2460  10050.86   478.638  10103.27   539.960  9858.66    1034.09  136.473 3.6530  134.309 7.1342  2.164185       8.015028  
1 1 1 -18 26  10 o 182.524 3.9051  18079.24   772.015  17900.24   847.644  18950.19   1869.74  181.577 4.3101  185.974 9.2824  -4.397461      10.23421  
1 1 1 -18 26  11 o 16.254  1.6206  144.551    28.149   191.755    240.466  143.895    28.344   21.252  7.8705  16.215  1.6363  5.036829       8.038769  
1 1 1 -18 26  12 o 79.365  3.1529  3417.02    271.027  3242.98    315.292  3909.61    530.428  77.289  3.7664  84.520  5.8299  -7.230621      6.940726  
1 1 1 -18 26  13 o 216.070 4.1516  25371.82   971.591  25791.01   1123.08  24124.81   1937.07  217.727 4.7624  209.512 8.5362  8.214645       9.774849  
1 1 1 -18 26  14 o 149.116 3.3729  12074.92   544.746  11324.92   630.347  14287.48   1082.68  144.326 4.0324  161.681 6.1826  -17.35463      7.381375  
1 1 1 -18 26  15 o 80.649  3.1270  3532.31    273.142  3208.04    323.755  4333.10    508.768  76.698  3.9103  88.934  5.3060  -12.23571      6.591164  
1 1 1 -18 26  16 o 47.642  3.8639  1243.58    197.669  1194.32    239.120  1349.90    351.275  46.532  4.8142  49.094  6.7877  -2.562263      8.321610  
1 1 1 -18 26  17 o 108.181 3.0261  6361.62    354.574  6814.90    427.993  5369.76    633.112  111.893 3.5315  98.691  5.9507  13.20157       6.919709  
1 1 1 -18 26  18 o 119.620 3.2229  7787.03    417.563  8185.17    493.412  6782.36    783.797  122.541 3.7176  110.605 6.5723  11.93608       7.550829  
1 1 1 -18 26  19 o 94.815  3.3923  4898.73    348.377  4882.42    409.329  4941.58    663.557  94.544  3.9973  94.232  6.5420  0.3121262      7.666531  
1 1 1 -18 26  20 o 41.085  5.1364  943.028    223.573  662.318    331.280  1177.82    302.974  33.539  8.9523  45.673  6.2915  -12.13432      10.94201  
1 1 1 -18 26  21 o 40.448  5.2385  917.426    224.107  1108.07    336.463  765.406    300.455  43.872  7.3400  36.154  7.8940  7.718246       10.77921  
1 1 1 -18 26  22 o 28.401  1.8037  439.752    55.197   782.688    348.093  430.907    55.904   36.152  8.9399  28.108  1.8466  8.044468       9.128576  
1 1 1 -18 26  23 o 53.069  4.6058  1567.65    262.114  1753.20    437.687  1463.89    327.293  54.965  7.5515  50.765  6.0731  4.199875       9.690605  
1 1 1 -18 26  24 o 15.290  6.7845  -57.2387   223.980  -171.5722  392.609  -2.0735    272.713  19.052  8.6700  17.783  7.6969  1.268570       11.59353  
1 1 1 -18 26  25 o 81.236  3.7852  3639.34    333.044  3640.04    548.090  3638.94    419.341  79.705  6.4029  80.650  4.8227  -0.9451752     8.015980  
1 1 1 -18 26  26 o 84.296  3.6801  3932.16    335.996  4215.71    535.663  3748.23    431.420  85.770  5.8003  81.494  4.9106  4.275452       7.599810  
1 1 1 -18 26  27 o 9.1739  3.1534  42.744     37.878   43.553     38.212   -2.9462    287.149  9.2415  3.1677  17.597  7.7510  -8.355927      8.373361  
1 1 1 -18 26  28 f 28.844  11.103  583.191    489.100  583.191    489.100  0.0000     0.0000   28.844  11.103  ?       ?       0.000000       11.10256  
1 1 1 -18 26  29 o 19.980  9.1512  -45.3063   446.645  -45.3063   446.645  0.0000     0.0000   19.980  9.1512  ?       ?       0.000000       9.151191  
1 1 1 -18 26  30 o 23.838  11.160  97.244     720.797  97.244     720.797  0.0000     0.0000   23.838  11.160  ?       ?       0.000000       11.15956  
1 1 1 -18 26  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 27  1  o 285.573 5.4730  44299.86   1692.84  44293.89   1821.97  44337.50   4578.17  285.485 5.8924  282.523 15.015  2.961212       16.12992  
1 1 1 -18 27  2  o 332.926 5.7904  60230.33   2087.97  60460.13   2409.04  59536.50   4186.01  333.374 6.6718  329.265 11.738  4.109406       13.50138  
1 1 1 -18 27  3  o 256.900 4.6958  35821.86   1306.60  36371.52   1506.67  34154.63   2624.03  258.772 5.3756  249.932 9.6934  8.840317       11.08420  
1 1 1 -18 27  4  o 193.685 3.8382  20346.72   805.177  20413.40   927.351  20142.51   1622.95  193.954 4.4144  192.253 7.7940  1.700897       8.957335  
1 1 1 -18 27  5  o 74.046  2.8140  2971.71    225.681  3157.95    256.455  2332.41    475.147  76.324  3.1023  65.114  6.8395  11.21038       7.510133  
1 1 1 -18 27  6  o 240.018 4.4429  31264.44   1155.01  31500.70   1331.99  30548.35   2318.95  240.842 5.1062  236.465 9.0543  4.376556       10.39485  
1 1 1 -18 27  7  o 210.382 4.0014  24012.42   911.773  24087.61   1051.46  23784.48   1830.69  210.650 4.6085  208.804 8.0948  1.845459       9.314721  
1 1 1 -18 27  8  o 190.633 4.3733  19725.78   902.972  19739.69   1104.29  19697.69   1568.61  190.592 5.3494  190.055 7.6202  0.5375824      9.310422  
1 1 1 -18 27  9  o 132.207 3.7335  9482.67    534.619  9231.10    637.116  10081.38   982.861  130.388 4.5114  136.049 6.6700  -5.661316      8.052447  
1 1 1 -18 27  10 o 194.625 3.8508  20556.28   811.740  20382.40   935.898  21084.31   1630.91  193.731 4.4602  196.503 7.6629  -2.772202      8.866405  
1 1 1 -18 27  11 o 114.784 3.0190  7145.39    375.333  6755.27    435.059  8280.86    742.227  111.572 3.6002  123.356 5.5553  -11.78383      6.619831  
1 1 1 -18 27  12 o 35.122  4.9120  683.837    181.747  710.059    209.397  603.749    365.949  35.686  5.6021  32.830  9.6510  2.856060       11.15907  
1 1 1 -18 27  13 o 125.237 3.1792  8512.24    431.247  8039.38    500.208  9881.30    851.125  121.653 3.7963  134.590 5.8386  -12.93660      6.964277  
1 1 1 -18 27  14 o 66.172  3.3439  2383.98    238.887  1975.72    279.150  3501.00    461.742  60.108  4.3166  79.939  5.3640  -19.83184      6.885183  
1 1 1 -18 27  15 o 111.418 3.0650  6741.81    369.874  7141.91    432.181  5646.53    715.068  114.629 3.4810  101.254 6.5555  13.37583       7.422366  
1 1 1 -18 27  16 f 178.815 3.6343  17398.71   703.883  18227.77   817.448  15021.24   1384.29  182.900 4.1264  164.764 7.7570  18.13629       8.786245  
1 1 1 -18 27  17 o 169.359 3.6049  15617.83   661.251  15335.93   766.816  16435.47   1305.94  167.654 4.2229  172.446 6.9920  -4.792511      8.168238  
1 1 1 -18 27  18 o 121.558 3.3291  8044.78    438.308  7874.53    520.070  8462.18    814.325  120.125 3.9972  123.913 6.0675  -3.788292      7.265827  
1 1 1 -18 27  19 o 207.792 4.0838  23597.68   919.102  23923.11   1064.70  22645.95   1820.80  208.909 4.7055  200.649 8.3783  8.259384       9.609194  
1 1 1 -18 27  20 o 195.775 4.6153  21040.00   978.651  20134.50   1202.28  22818.19   1684.81  190.760 5.8190  201.453 7.7216  -10.69347      9.668694  
1 1 1 -18 27  21 o 130.849 3.3213  9346.46    470.710  9456.19    679.784  9245.39    652.428  131.054 4.7891  129.647 4.6462  1.406494       6.672518  
1 1 1 -18 27  22 o 27.706  6.8549  448.666    204.576  346.242    375.664  491.846    243.915  26.517  9.8339  28.905  7.6657  -2.388266      12.46873  
1 1 1 -18 27  23 o 45.828  5.1569  1180.74    251.525  1141.54    417.968  1203.00    314.933  43.457  9.1683  45.772  6.5384  -2.315140      11.26095  
1 1 1 -18 27  24 o 29.764  2.2814  485.406    72.987   474.959    75.296   647.966    297.025  29.424  2.3831  32.692  8.3566  -3.268026      8.689763  
1 1 1 -18 27  25 o 40.576  6.1249  952.883    260.801  883.774    469.419  983.740    313.665  36.984  10.947  40.680  7.3912  -3.695881      13.20854  
1 1 1 -18 27  26 o 69.351  4.0467  2684.01    302.648  2889.68    493.860  2560.33    382.990  70.330  6.5589  67.015  5.3202  3.314972       8.445353  
1 1 1 -18 27  27 o 33.543  7.1950  700.385    253.565  364.094    447.887  859.012    307.608  25.805  10.405  36.743  7.9596  -10.93829      13.10030  
1 1 1 -18 27  28 o 20.380  9.2519  -30.6430   443.656  -30.6430   443.656  0.0000     0.0000   20.380  9.2519  ?       ?       0.000000       9.251886  
1 1 1 -18 27  29 o 7.0326  2.9895  1.9050     39.776   1.9050     39.776   0.0000     0.0000   7.0326  2.9895  ?       ?       0.000000       2.989523  
1 1 1 -18 27  30 o 24.766  11.860  43.071     907.259  43.071     907.259  0.0000     0.0000   24.766  11.860  ?       ?       0.000000       11.86017  
1 1 1 -18 27  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 28  1  o 207.438 3.9944  23341.91   897.455  24248.69   1033.77  20567.67   1808.19  211.380 4.5153  194.136 8.5994  17.24348       9.712773  
1 1 1 -18 28  2  o 243.049 4.5316  32059.29   1192.93  32255.57   1374.85  31461.33   2399.68  243.709 5.2085  239.969 9.2327  3.739914       10.60050  
1 1 1 -18 28  3  o 80.172  2.7399  3483.62    237.918  3479.00    268.783  3500.34    511.351  80.111  3.0977  80.031  5.9416  0.7960510E-01  6.700603  
1 1 1 -18 28  4  o 285.311 5.1887  44208.50   1603.41  45046.91   1849.70  41673.95   3216.03  287.880 5.9323  275.729 10.769  12.15085       12.29467  
1 1 1 -18 28  5  o 231.693 4.2967  29128.77   1078.25  29012.27   1243.06  29482.79   2166.96  231.153 4.9650  232.409 8.6085  -1.255600      9.937707  
1 1 1 -18 28  6  o 268.422 5.1658  39133.51   1501.85  39013.54   1619.52  39870.23   4013.39  267.945 5.5805  268.177 13.865  -0.2328186     14.94550  
1 1 1 -18 28  7  o 209.188 4.0444  23743.07   916.359  24333.39   1056.51  21950.33   1841.15  211.713 4.6074  200.493 8.4785  11.21974       9.649503  
1 1 1 -18 28  8  o 398.000 8.5941  86570.98   3704.73  88624.70   4091.26  77217.00   8731.40  402.340 9.3884  366.093 22.124  36.24707       24.03378  
1 1 1 -18 28  9  o 197.255 4.4390  21126.86   948.387  20324.16   1159.45  22749.68   1648.59  193.332 5.5371  204.206 7.4537  -10.87474      9.285308  
1 1 1 -18 28  10 o 83.745  2.9941  3803.03    271.582  3688.94    309.461  4185.36    566.506  82.461  3.4649  87.477  6.0158  -5.015373      6.942240  
1 1 1 -18 28  11 o 62.094  3.4082  2098.32    228.339  2336.22    263.229  1375.09    458.959  65.500  3.7258  49.337  8.9169  16.16299       9.664011  
1 1 1 -18 28  12 o 124.570 3.1275  8419.19    421.968  8469.46    486.968  8267.66    845.386  124.904 3.5996  122.926 6.3714  1.978195       7.317905  
1 1 1 -18 28  13 o 162.522 3.5007  14343.39   616.225  13923.98   711.854  15597.39   1230.90  160.046 4.1065  168.858 6.7303  -8.811752      7.884157  
1 1 1 -18 28  14 o 19.262  6.8531  175.277    179.890  239.082    216.707  33.870     322.613  21.868  7.5411  20.403  8.5851  1.464540       11.42677  
1 1 1 -18 28  15 o 141.006 3.2852  10804.12   501.738  11014.56   581.904  10194.30   990.584  142.296 3.7756  136.239 6.7130  6.056396       7.701950  
1 1 1 -18 28  16 o 162.961 3.5203  14448.19   621.348  14615.27   723.611  13979.21   1212.35  163.771 4.0794  159.202 7.0308  4.569122       8.128613  
1 1 1 -18 28  17 o 105.944 3.1735  6104.91    364.151  6107.95    427.231  6096.82    696.316  105.884 3.7253  105.079 6.1449  0.8048706      7.185972  
1 1 1 -18 28  18 o 66.701  3.6681  2432.37    263.982  2551.05    323.221  2194.62    457.484  68.175  4.4008  62.597  6.8601  5.578072       8.150308  
1 1 1 -18 28  19 o 80.939  3.4034  3570.96    298.359  3880.17    362.908  2926.10    524.087  84.270  3.9760  72.284  6.7731  11.98667       7.853894  
1 1 1 -18 28  20 f 40.919  5.6257  941.494    242.733  842.807    289.384  1175.72    445.828  38.225  7.2551  44.548  9.5283  -6.323158      11.97598  
1 1 1 -18 28  21 o 46.065  4.6947  1179.34    230.960  955.722    339.690  1371.58    314.962  40.423  8.0416  49.335  6.0192  -8.911736      10.04478  
1 1 1 -18 28  22 o 35.306  6.4361  718.760    237.050  1161.73    403.782  485.792    292.824  44.224  8.7397  28.783  8.6749  15.44038       12.31410  
1 1 1 -18 28  23 o 37.488  1.5066  762.827    61.175   778.783    62.599   424.024    288.452  37.877  1.5259  27.055  8.6843  10.82200       8.817377  
1 1 1 -18 28  24 o 31.248  7.3912  582.773    246.233  876.894    441.610  450.077    296.623  37.271  10.494  27.597  8.8010  9.674141       13.69607  
1 1 1 -18 28  25 f 45.368  5.4029  1172.56    260.265  802.634    438.781  1373.35    323.275  35.370  10.610  48.752  6.2674  -13.38174      12.32272  
1 1 1 -18 28  26 o 26.530  8.0554  433.203    251.808  502.441    465.463  404.555    299.403  28.980  10.907  25.943  8.8671  3.037071       14.05656  
1 1 1 -18 28  27 o 22.061  8.7182  244.018    308.168  6.5165     445.117  462.652    427.072  21.089  9.4468  27.118  10.390  -6.028660      14.04263  
1 1 1 -18 28  28 o 36.933  11.003  1023.39    473.098  1023.39    473.098  0.0000     0.0000   36.933  11.003  ?       ?       0.000000       11.00302  
1 1 1 -18 28  29 o 21.491  9.3047  164.913    398.813  164.913    398.813  0.0000     0.0000   21.491  9.3047  ?       ?       0.000000       9.304655  
1 1 1 -18 28  30 o 31.565  13.398  1043.44    796.756  1043.44    796.756  0.0000     0.0000   31.565  13.398  ?       ?       0.000000       13.39763  
1 1 1 -18 28  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 29  1  o 95.133  2.8333  4905.36    291.936  4913.47    330.802  4876.81    620.751  95.200  3.2082  94.516  6.0963  0.6840134      6.888892  
1 1 1 -18 29  2  o 205.595 4.0119  22929.92   893.376  23709.97   1028.86  20539.45   1801.11  209.013 4.5448  193.999 8.5718  15.01427       9.702090  
1 1 1 -18 29  3  o 181.669 3.7154  17899.22   731.068  18332.49   840.866  16557.58   1479.69  183.815 4.2235  174.290 7.8384  9.525375       8.903852  
1 1 1 -18 29  4  o 175.881 3.5402  16774.86   674.390  16212.79   775.391  18520.64   1366.53  172.867 4.1413  184.470 6.8395  -11.60318      7.995574  
1 1 1 -18 29  5  o 134.632 3.1192  9826.48    454.838  10093.77   522.321  8987.94    925.153  136.430 3.5347  128.344 6.6784  8.085892       7.556108  
1 1 1 -18 29  6  o 195.388 3.7909  20708.21   802.241  20812.63   924.280  20389.26   1615.37  195.829 4.3577  193.385 7.7122  2.444122       8.858221  
1 1 1 -18 29  7  o 368.337 6.2765  73821.77   2504.00  71644.77   2889.73  80382.52   5016.55  362.545 7.3591  381.902 12.128  -19.35681      14.18594  
1 1 1 -18 29  8  o 176.745 4.1815  16955.21   800.471  16529.84   979.401  17811.04   1389.22  174.409 5.1847  180.771 7.0953  -6.362701      8.787712  
1 1 1 -18 29  9  o 115.886 3.5474  7285.39    445.253  7479.00    546.086  6901.39    769.051  117.368 4.2958  112.400 6.3430  4.967583       7.660760  
1 1 1 -18 29  10 o 124.647 3.6014  8430.69    486.214  8104.68    591.718  9108.39    853.126  122.148 4.4726  129.323 6.0907  -7.175102      7.556482  
1 1 1 -18 29  11 o 166.038 3.4753  14960.82   624.978  14210.90   719.767  17258.80   1259.96  161.757 4.1083  177.867 6.5402  -16.11024      7.723497  
1 1 1 -18 29  12 o 54.812  3.6645  1638.57    216.293  1433.42    251.124  2228.07    425.691  51.139  4.5825  63.595  6.2614  -12.45623      7.759118  
1 1 1 -18 29  13 o 34.841  5.0011  674.472    183.311  517.826    213.448  1114.68    357.818  30.183  6.7036  44.448  7.7122  -14.26498      10.21837  
1 1 1 -18 29  14 o 130.166 3.2158  9201.59    453.369  9381.91    526.960  8687.84    889.469  131.375 3.7034  125.757 6.5529  5.617699       7.526978  
1 1 1 -18 29  15 o 49.480  3.9129  1340.66    207.985  1489.00    245.988  968.726    389.514  52.089  4.4013  40.992  9.0180  11.09669       10.03473  
1 1 1 -18 29  16 o 133.281 3.2399  9658.90    467.705  10105.69   551.911  8520.58    880.947  136.237 3.7403  124.239 6.5700  11.99785       7.560097  
1 1 1 -18 29  17 o 135.369 3.2824  9971.18    481.263  10244.07   561.049  9211.16    936.308  137.103 3.7782  128.965 6.7264  8.137375       7.714875  
1 1 1 -18 29  18 o 78.566  3.4247  3362.34    291.428  3500.15    352.443  3064.40    518.207  79.960  4.0831  74.175  6.5163  5.785614       7.689907  
1 1 1 -18 29  19 f 60.544  2.6076  1992.93    170.992  2062.92    301.634  1959.79    207.566  61.181  4.5852  59.893  3.2114  1.288242       5.597970  
1 1 1 -18 29  20 o 20.097  7.3882  185.455    211.219  159.524    246.822  256.397    408.250  20.350  7.8719  25.704  10.073  -5.353935      12.78434  
1 1 1 -18 29  21 o 74.989  3.3901  3072.01    275.345  3057.03    392.708  3086.49    386.168  74.302  4.9074  74.696  4.7986  -0.3944778     6.863621  
1 1 1 -18 29  22 o 21.172  7.5613  225.140    219.188  5.1752     357.227  357.955    277.582  20.445  8.8290  25.419  8.5386  -4.974113      12.28244  
1 1 1 -18 29  23 o 34.663  6.6090  699.567    239.072  969.575    401.840  551.634    297.438  39.815  9.4584  30.323  8.6385  9.492054       12.80961  
1 1 1 -18 29  24 o 50.586  4.9963  1438.99    270.171  1766.37    470.874  1278.33    329.872  54.519  8.2305  46.980  6.6701  7.539085       10.59396  
1 1 1 -18 29  25 o 23.402  7.9506  309.822    240.695  404.629    423.727  264.656    292.461  27.485  10.392  23.044  8.6509  4.441034       13.52174  
1 1 1 -18 29  26 o 30.490  7.6154  575.915    250.742  894.297    445.265  428.067    303.426  36.368  10.633  26.442  8.9270  9.926056       13.88329  
1 1 1 -18 29  27 o 30.910  9.1553  643.969    328.252  977.921    488.757  369.569    443.040  36.367  11.256  25.655  10.347  10.71128       15.28935  
1 1 1 -18 29  28 o 31.252  1.5481  532.353    52.400   532.353    52.400   0.0000     0.0000   31.252  1.5481  ?       ?       0.000000       1.548078  
1 1 1 -18 29  29 o 20.370  9.0549  75.338     400.753  75.338     400.753  0.0000     0.0000   20.370  9.0549  ?       ?       0.000000       9.054894  
1 1 1 -18 29  30 o 24.038  11.420  48.749     806.800  48.749     806.800  0.0000     0.0000   24.038  11.420  ?       ?       0.000000       11.41966  
1 1 1 -18 29  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 30  1  o 191.017 3.6922  19788.89   763.890  19267.32   878.489  21405.90   1546.82  188.434 4.3044  198.262 7.2033  -9.828049      8.391342  
1 1 1 -18 30  2  o 200.388 3.8901  21781.55   844.307  22024.41   971.918  21034.56   1704.51  201.452 4.4544  196.407 8.0126  5.044327       9.167498  
1 1 1 -18 30  3  o 243.585 4.8288  32212.98   1273.97  32278.84   1377.00  31821.58   3356.74  243.783 5.2151  239.909 12.966  3.873840       13.97576  
1 1 1 -18 30  4  o 186.586 3.9021  18885.13   788.588  18707.51   862.450  19790.90   1947.57  185.674 4.2886  190.239 9.4520  -4.564835      10.37943  
1 1 1 -18 30  5  o 197.517 3.7757  21161.46   807.737  20100.34   930.053  24418.51   1629.44  192.440 4.4621  211.743 7.1049  -19.30327      8.389877  
1 1 1 -18 30  6  o 88.272  2.8183  4223.72    269.456  4393.32    307.271  3659.11    560.651  90.016  3.1516  81.758  6.3819  8.258606       7.117639  
1 1 1 -18 30  7  f 210.879 4.2275  24136.47   965.580  24523.82   1050.70  22032.32   2448.87  212.525 4.5646  199.791 11.364  12.73389       12.24613  
1 1 1 -18 30  8  o 225.991 4.9167  27746.42   1203.46  27522.55   1471.93  28197.83   2090.14  224.895 6.0428  227.105 8.4972  -2.210358      10.42679  
1 1 1 -18 30  9  o 77.213  3.4501  3234.20    288.528  3711.89    350.595  2231.71    507.894  82.699  3.9141  63.503  7.5311  19.19640       8.487523  
1 1 1 -18 30  10 o 191.033 3.8129  19808.87   788.929  19537.47   910.954  20623.25   1577.98  189.643 4.4350  194.279 7.4990  -4.635956      8.712325  
1 1 1 -18 30  11 o 197.212 3.8686  21118.89   826.345  20856.47   952.627  21916.50   1660.84  195.891 4.4899  200.119 7.6625  -4.227310      8.881048  
1 1 1 -18 30  12 o 75.839  2.6017  3119.21    213.706  2829.12    290.915  3459.25    314.967  72.077  3.7394  79.812  3.6436  -7.735542      5.220950  
1 1 1 -18 30  13 o 28.485  6.3747  461.044    191.766  472.944    231.266  434.855    343.079  28.818  7.3778  28.670  9.4894  0.1474915      12.01999  
1 1 1 -18 30  14 o 87.500  3.0664  4157.43    290.609  4221.32    338.529  3978.46    566.598  88.130  3.5465  85.026  6.1951  3.103714       7.138465  
1 1 1 -18 30  15 o 61.946  3.5453  2093.70    236.878  1977.36    281.733  2374.33    437.560  60.077  4.3594  65.497  6.2436  -5.419373      7.614939  
1 1 1 -18 30  16 o 125.178 3.2456  8521.31    440.034  8021.77    510.799  9958.86    866.512  121.344 3.8865  134.668 5.9407  -13.32423      7.099120  
1 1 1 -18 30  17 o 101.529 3.2138  5608.62    353.414  5302.23    417.728  6380.24    662.910  98.606  3.9113  107.603 5.7084  -8.997040      6.919847  
1 1 1 -18 30  18 o 103.184 3.2669  5797.46    365.109  5489.85    433.060  6553.52    678.933  100.276 3.9873  108.934 5.7750  -8.657402      7.017754  
1 1 1 -18 30  19 o 76.823  2.8110  3211.23    233.897  2807.66    336.200  3589.78    325.615  71.468  4.3642  81.084  3.7077  -9.615654      5.726503  
1 1 1 -18 30  20 o 54.495  4.2593  1637.40    249.402  1892.66    300.721  1074.97    446.371  58.481  4.7896  42.403  9.8992  16.07893       10.99704  
1 1 1 -18 30  21 o 76.562  3.3925  3202.85    281.322  2527.24    398.518  3873.95    397.185  67.312  5.5146  83.842  4.3891  -16.53021      7.048074  
1 1 1 -18 30  22 o 30.385  1.9667  503.832    64.377   529.064    368.281  503.037    65.383   30.129  9.8250  30.357  1.9997  -0.2285347     10.02648  
1 1 1 -18 30  23 o 42.429  2.0300  979.134    93.288   992.274    97.980   851.693    305.129  42.705  2.1183  37.907  7.6947  4.797729       7.980923  
1 1 1 -18 30  24 o 51.233  4.8384  1472.70    265.304  1586.82    447.120  1410.68    329.597  51.582  8.2833  49.554  6.2819  2.028069       10.39595  
1 1 1 -18 30  25 f 21.213  7.9191  221.040    244.408  661.552    458.821  46.521     288.792  32.367  10.977  18.853  8.0357  13.51444       13.60414  
1 1 1 -18 30  26 o 27.715  7.9239  479.789    249.801  410.178    447.224  511.355    301.160  27.082  10.563  28.391  8.8437  -1.309088      13.77599  
1 1 1 -18 30  27 f 29.478  1.2003  472.239    38.322   476.653    38.475   -78.0833   429.587  29.615  1.1995  19.823  9.0395  9.792532       9.118699  
1 1 1 -18 30  28 o 22.291  9.4382  205.127    393.855  205.127    393.855  0.0000     0.0000   22.291  9.4382  ?       ?       0.000000       9.438164  
1 1 1 -18 30  29 o 22.777  9.7402  245.339    426.828  245.339    426.828  0.0000     0.0000   22.777  9.7402  ?       ?       0.000000       9.740185  
1 1 1 -18 30  30 o 29.283  13.533  848.792    1007.83  848.792    1007.83  0.0000     0.0000   29.283  13.533  ?       ?       0.000000       13.53292  
1 1 1 -18 30  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 31  1  o 178.619 3.6136  17302.96   699.088  17636.67   803.714  16265.70   1416.98  180.294 4.1158  172.760 7.5727  7.533997       8.618882  
1 1 1 -18 31  2  o 273.694 4.8924  40673.93   1450.31  39922.36   1672.04  42957.41   2914.46  271.027 5.6959  280.223 9.6025  -9.195435      11.16474  
1 1 1 -18 31  3  o 59.568  2.2691  1922.74    146.402  1869.10    155.864  2324.78    426.699  58.729  2.4503  65.100  6.1236  -6.371243      6.595613  
1 1 1 -18 31  4  o 198.742 3.7886  21425.13   815.531  20393.34   938.298  24612.29   1649.10  193.836 4.4693  212.568 7.1628  -18.73248      8.442717  
1 1 1 -18 31  5  f 198.517 3.8645  21379.40   830.929  21266.13   957.176  21725.86   1673.97  197.932 4.4648  199.593 7.7434  -1.660751      8.938412  
1 1 1 -18 31  6  o 162.118 3.4191  14253.52   600.361  14150.52   690.568  14572.34   1214.92  161.492 3.9481  163.567 6.8577  -2.075104      7.913003  
1 1 1 -18 31  7  o 179.141 3.5874  17408.07   696.063  17040.71   801.728  18532.68   1402.76  177.189 4.1775  184.406 7.0232  -7.217377      8.171750  
1 1 1 -18 31  8  o 103.373 3.4238  5796.36    383.343  5906.77    466.739  5567.51    671.983  104.315 4.1310  100.943 6.1760  3.371582       7.430196  
1 1 1 -18 31  9  o 375.881 7.4955  77157.88   3051.56  76727.02   3735.50  78022.23   5290.79  374.029 9.2209  374.829 13.032  -0.7997437     15.96441  
1 1 1 -18 31  10 o 290.097 5.1844  45779.30   1628.96  46631.38   1880.32  43216.15   3261.24  292.582 5.9335  279.802 10.761  12.78021       12.28863  
1 1 1 -18 31  11 o 147.000 3.2889  11726.40   523.653  11022.97   602.336  13903.54   1059.68  142.464 3.9036  159.664 6.1277  -17.19997      7.265444  
1 1 1 -18 31  12 o 9.5771  2.7073  51.026     29.331   299.106    202.579  45.714     29.643   23.407  7.2470  9.1516  2.7605  14.25576       7.754972  
1 1 1 -18 31  13 o 77.937  3.0943  3297.46    261.203  3268.45    302.414  3382.70    518.301  77.560  3.5999  78.425  6.1512  -0.8643417     7.127139  
1 1 1 -18 31  14 o 128.777 3.1708  9008.04    442.260  8554.07    512.005  10342.17   877.732  125.412 3.7693  137.476 5.8947  -12.06396      6.996831  
1 1 1 -18 31  15 o 137.407 3.2836  10263.98   488.677  10324.86   569.102  10093.08   953.495  137.722 3.8152  135.507 6.4966  2.214783       7.534035  
1 1 1 -18 31  16 o 102.767 3.1675  5742.75    352.568  5621.85    408.063  6098.77    700.254  101.602 3.7081  105.131 6.1768  -3.529099      7.204400  
1 1 1 -18 31  17 o 35.946  5.4562  724.760    205.754  726.265    253.361  721.844    352.609  35.678  6.8047  35.184  9.1625  0.4946594      11.41296  
1 1 1 -18 31  18 o 82.450  3.4534  3704.57    308.397  3741.15    372.982  3625.52    548.327  82.633  4.1810  80.744  6.3203  1.888397       7.578043  
1 1 1 -18 31  19 o 89.258  3.3085  4343.41    319.853  4472.27    384.037  4051.62    577.906  90.450  3.9201  85.249  6.3036  5.201569       7.423096  
1 1 1 -18 31  20 o 46.233  4.5143  1184.41    223.171  1405.08    275.644  764.505    380.230  50.235  5.1384  35.821  9.6038  14.41457       10.89200  
1 1 1 -18 31  21 o 101.224 2.9625  5587.69    324.793  5304.41    449.264  5897.87    470.098  98.274  4.2208  103.637 4.1880  -5.362953      5.945946  
1 1 1 -18 31  22 o 90.933  3.4513  4527.58    339.918  4983.59    524.742  4197.88    446.189  94.646  5.1381  87.013  4.7524  7.632980       6.998938  
1 1 1 -18 31  23 o 17.138  7.2565  31.684     232.834  381.223    430.813  -112.5381  276.730  27.620  10.470  16.350  7.3757  11.26998       12.80734  
1 1 1 -18 31  24 o 48.614  5.0577  1331.82    262.410  1876.50    450.236  1051.61    322.929  56.580  7.5342  42.234  7.3250  14.34624       10.50806  
1 1 1 -18 31  25 o 20.260  7.8388  179.972    244.791  378.079    457.851  100.676    289.668  27.316  10.678  19.758  8.2109  7.558010       13.46994  
1 1 1 -18 31  26 o 66.607  4.1441  2491.85    297.484  2591.36    480.506  2430.01    378.813  65.979  6.8225  64.947  5.4351  1.031784       8.722765  
1 1 1 -18 31  27 o 28.231  8.7706  529.219    296.425  656.069    397.392  370.111    445.061  30.567  10.217  25.573  10.351  4.994005       14.54374  
1 1 1 -18 31  28 o 25.902  10.064  432.867    404.825  432.867    404.825  0.0000     0.0000   25.902  10.064  ?       ?       0.000000       10.06410  
1 1 1 -18 31  29 o 53.986  8.2195  1936.38    465.438  1936.38    465.438  0.0000     0.0000   53.986  8.2195  ?       ?       0.000000       8.219506  
1 1 1 -18 31  30 o 29.485  13.142  864.404    850.085  864.404    850.085  0.0000     0.0000   29.485  13.142  ?       ?       0.000000       13.14221  
1 1 1 -18 31  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 32  1  o 85.836  2.6029  3993.13    241.988  3861.80    271.857  4494.19    531.012  84.402  2.9738  90.783  5.4253  -6.380905      6.186852  
1 1 1 -18 32  2  o 131.791 3.1812  9417.02    454.101  9879.74    519.798  7925.73    933.158  134.970 3.5557  120.409 7.1881  14.56122       8.019429  
1 1 1 -18 32  3  o 69.016  2.7337  2581.78    204.352  2544.79    227.482  2736.44    465.141  68.513  3.0655  70.667  6.1381  -2.154533      6.861008  
1 1 1 -18 32  4  o 169.187 3.5147  15524.14   644.056  15542.93   740.243  15465.57   1306.54  169.250 4.0381  168.481 7.1598  0.7687988      8.220060  
1 1 1 -18 32  5  f 265.701 4.7392  38336.82   1363.86  37600.56   1572.72  40569.81   2738.92  263.009 5.5209  272.275 9.2875  -9.265930      10.80457  
1 1 1 -18 32  6  o 304.111 5.7424  50293.87   1891.46  50000.60   2033.39  52177.31   5153.06  303.120 6.1935  305.344 15.634  -2.224091      16.81592  
1 1 1 -18 32  7  o 25.897  4.8823  376.284    131.924  341.691    145.845  531.976    309.410  24.581  5.6026  30.819  8.8213  -6.238173      10.45013  
1 1 1 -18 32  8  o 170.563 3.4968  15782.32   645.992  15591.01   743.815  16369.55   1303.15  169.475 4.0522  173.262 6.9442  -3.786301      8.040037  
1 1 1 -18 32  9  o 158.377 3.9127  13616.56   671.186  13005.20   819.217  14864.88   1170.61  154.677 4.8899  165.123 6.5454  -10.44566      8.170309  
1 1 1 -18 32  10 o 93.785  2.9635  4770.57    301.029  4844.12    347.476  4549.29    602.696  94.482  3.3955  91.152  6.1404  3.330223       7.016712  
1 1 1 -18 32  11 o 195.368 3.8447  20731.28   813.562  20036.97   937.525  22848.37   1637.09  191.962 4.5092  204.289 7.3987  -12.32712      8.664528  
1 1 1 -18 32  12 o 178.810 3.6312  17367.69   703.255  17628.30   814.133  16601.59   1395.85  180.059 4.1745  173.992 7.4069  6.067184       8.502308  
1 1 1 -18 32  13 o 63.833  3.3067  2218.93    227.831  2207.07    263.567  2254.01    453.143  63.599  3.8443  63.805  6.6550  -0.2060089     7.685551  
1 1 1 -18 32  14 o 68.326  3.2513  2536.61    240.612  2463.46    280.427  2740.75    468.466  67.177  3.8705  70.453  6.2024  -3.275322      7.311027  
1 1 1 -18 32  15 o 100.628 3.2355  5504.94    352.639  6066.55    420.415  4171.99    647.689  105.577 3.6765  86.738  6.9527  18.83974       7.864928  
1 1 1 -18 32  16 o 18.640  6.9323  149.064    186.946  175.056    215.819  70.950     374.141  20.071  7.4517  22.254  9.2968  -2.182444      11.91460  
1 1 1 -18 32  17 o 63.956  3.6176  2235.80    249.565  2298.85    301.283  2097.94    445.474  64.727  4.3224  61.214  6.8356  3.512882       8.087543  
1 1 1 -18 32  18 o 136.820 3.3693  10200.05   499.303  9653.30    583.634  11692.58   964.296  132.922 4.0539  145.471 6.1202  -12.54994      7.341014  
1 1 1 -18 32  19 o 35.542  5.8859  716.124    218.650  339.509    274.872  1365.03    360.805  25.162  8.4966  49.018  6.9943  -23.85576      11.00509  
1 1 1 -18 32  20 o 49.292  4.4544  1344.49    235.242  1370.35    293.006  1297.60    394.589  49.478  5.5641  47.340  7.9793  2.137344       9.727757  
1 1 1 -18 32  21 o 113.263 3.3485  7010.87    410.786  6949.65    485.198  7165.81    771.903  112.558 3.9799  113.038 6.3302  -0.4806519     7.477375  
1 1 1 -18 32  22 o 76.994  3.6986  3251.81    308.435  2841.64    482.024  3536.19    401.357  70.851  6.3487  79.864  4.6601  -9.013519      7.875459  
1 1 1 -18 32  23 o 80.337  3.0135  3529.91    262.214  4168.41    511.864  3302.74    305.317  86.153  5.5144  77.535  3.6357  8.617691       6.605060  
1 1 1 -18 32  24 o 21.884  2.1813  263.391    51.013   686.967    421.322  257.089    51.391   33.201  10.479  21.610  2.2276  11.59022       10.71280  
1 1 1 -18 32  25 o 23.215  7.7991  309.616    231.583  715.223    373.813  56.987     295.016  33.462  9.7307  19.129  8.1369  14.33263       12.68442  
1 1 1 -18 32  26 o 16.445  7.1279  13.728     234.561  -24.1076   393.694  34.549     292.057  19.997  8.9261  18.375  7.9590  1.622152       11.95913  
1 1 1 -18 32  27 f 41.052  9.9748  1171.54    439.148  1171.54    439.148  0.0000     0.0000   41.052  9.9748  ?       ?       0.000000       9.974795  
1 1 1 -18 32  28 o 35.149  10.669  927.825    441.769  927.825    441.769  0.0000     0.0000   35.149  10.669  ?       ?       0.000000       10.66910  
1 1 1 -18 32  29 o 40.254  2.4377  897.579    105.782  897.579    105.782  0.0000     0.0000   40.254  2.4377  ?       ?       0.000000       2.437714  
1 1 1 -18 32  30 o 27.836  13.093  633.438    1012.16  633.438    1012.16  0.0000     0.0000   27.836  13.093  ?       ?       0.000000       13.09268  
1 1 1 -18 33  1  o 138.410 3.2210  10387.59   482.862  10569.20   552.647  9801.66    992.685  139.590 3.6553  133.982 6.8636  5.607468       7.776307  
1 1 1 -18 33  2  o 258.682 4.6709  36333.19   1308.69  36317.01   1508.38  36382.47   2631.94  258.513 5.3871  257.829 9.4249  0.6844482      10.85584  
1 1 1 -18 33  3  o 205.453 4.0330  22904.17   897.446  23532.81   1033.10  20970.86   1811.72  208.194 4.5815  195.924 8.5376  12.26982       9.689165  
1 1 1 -18 33  4  o 228.200 4.5630  28273.70   1127.80  28475.72   1221.82  27110.58   2931.75  228.965 4.9268  221.379 12.275  7.586411       13.22694  
1 1 1 -18 33  5  o 197.817 3.9377  21233.35   843.672  22257.48   972.124  18108.04   1698.21  202.479 4.4327  182.008 8.6145  20.47076       9.688073  
1 1 1 -18 33  6  o 336.738 5.8207  61681.20   2122.94  60002.69   2449.17  66753.05   4257.36  331.852 6.8140  348.185 11.289  -16.33267      13.18617  
1 1 1 -18 33  7  o 139.645 3.1395  10575.17   474.857  10465.11   546.266  10915.49   960.620  138.884 3.6315  141.585 6.2642  -2.700821      7.240673  
1 1 1 -18 33  8  o 76.656  2.5640  3185.42    212.878  3094.94    277.365  3315.10    332.078  75.532  3.3904  78.050  3.9410  -2.517891      5.198654  
1 1 1 -18 33  9  o 148.163 3.8823  11917.90   623.014  12657.83   730.188  9937.58    1194.56  152.638 4.4167  134.468 8.2417  18.17014       9.350598  
1 1 1 -18 33  10 o 116.120 3.0319  7314.56    381.316  7655.81    443.257  6343.05    747.891  118.769 3.4458  107.626 6.4455  11.14266       7.308717  
1 1 1 -18 33  11 o 141.880 3.2722  10926.11   502.844  10713.65   579.228  11576.03   1013.10  140.438 3.8080  145.572 6.4255  -5.133362      7.469098  
1 1 1 -18 33  12 o 137.269 3.2414  10230.11   481.914  9978.54    556.099  10988.82   965.746  135.508 3.7889  141.774 6.2892  -6.266296      7.342362  
1 1 1 -18 33  13 o 34.644  5.3807  670.379    195.350  599.306    231.958  843.766    362.297  32.463  6.8142  38.305  8.9018  -5.842411      11.21052  
1 1 1 -18 33  14 o 129.938 3.2666  9175.46    459.722  9048.35    537.063  9523.91    889.231  128.948 3.8454  131.778 6.2302  -2.829681      7.321373  
1 1 1 -18 33  15 o 23.695  7.3882  308.869    210.128  216.607    250.536  527.712    385.857  21.928  8.0487  30.987  10.054  -9.058687      12.87916  
1 1 1 -18 33  16 o 76.988  3.3535  3225.58    279.638  3118.16    326.112  3523.97    543.518  75.514  4.0015  79.733  6.3462  -4.219063      7.502394  
1 1 1 -18 33  17 o 92.539  3.3624  4662.99    337.012  4902.30    403.435  4110.36    613.076  94.790  3.9295  85.969  6.6355  8.820992       7.711782  
1 1 1 -18 33  18 o 40.602  4.9771  918.001    214.290  917.417    263.568  919.140    368.062  40.281  6.2432  39.631  8.8036  0.6508217      10.79261  
1 1 1 -18 33  19 o 26.295  7.0127  399.578    203.396  485.954    254.847  248.018    337.580  28.913  7.9092  24.217  9.2473  4.696011       12.16832  
1 1 1 -18 33  20 o 30.345  6.6076  532.897    211.012  571.083    265.506  467.420    347.671  31.200  7.8605  28.865  9.5526  2.334726       12.37097  
1 1 1 -18 33  21 o 31.780  6.4941  584.966    215.983  642.113    273.097  489.529    352.919  32.995  7.7701  29.256  9.6217  3.739952       12.36738  
1 1 1 -18 33  22 o 25.259  7.5588  370.703    222.900  328.635    350.846  399.176    288.639  25.672  9.5069  26.481  8.7011  -0.8085232     12.88760  
1 1 1 -18 33  23 o 43.733  5.4002  1083.74    250.365  1274.70    410.742  970.841    315.817  46.103  8.5402  40.568  7.4625  5.534935       11.34124  
1 1 1 -18 33  24 o 31.174  7.1676  580.064    236.956  580.618    388.960  579.737    298.804  30.843  10.099  30.801  8.6179  0.4160881E-01  13.27622  
1 1 1 -18 33  25 o 41.153  5.7078  979.304    247.561  1383.54    396.078  720.138    317.141  47.780  7.9318  33.915  8.6164  13.86493       11.71138  
1 1 1 -18 33  26 o 39.557  6.0291  928.421    250.146  933.024    402.401  925.522    319.346  37.147  9.8435  38.327  7.9534  -1.179398      12.65507  
1 1 1 -18 33  27 o 21.393  9.2114  132.112    386.530  132.112    386.530  0.0000     0.0000   21.393  9.2114  ?       ?       0.000000       9.211356  
1 1 1 -18 33  28 o 7.2528  2.8735  16.363     33.555   16.363     33.555   0.0000     0.0000   7.2528  2.8735  ?       ?       0.000000       2.873471  
1 1 1 -18 33  29 o 21.691  9.3867  189.569    405.463  189.569    405.463  0.0000     0.0000   21.691  9.3867  ?       ?       0.000000       9.386735  
1 1 1 -18 33  30 o 31.305  13.570  1089.81    850.162  1089.81    850.162  0.0000     0.0000   31.305  13.570  ?       ?       0.000000       13.56955  
1 1 1 -18 34  1  o 175.300 3.3563  16665.24   637.260  16229.20   731.274  18041.54   1299.19  172.948 3.9039  182.031 6.5896  -9.082382      7.659136  
1 1 1 -18 34  2  o 212.009 4.1508  24393.63   953.144  24458.49   1097.27  24194.27   1923.87  212.217 4.7738  210.437 8.4408  1.780106       9.697213  
1 1 1 -18 34  3  o 142.557 3.1802  11019.55   491.032  10892.04   561.874  11431.71   1010.21  141.700 3.6610  144.915 6.4361  -3.214813      7.404507  
1 1 1 -18 34  4  o 232.241 4.4040  29281.16   1107.78  30101.85   1276.70  26780.72   2228.47  235.389 5.0076  221.164 9.3030  14.22435       10.56512  
1 1 1 -18 34  5  o 99.036  2.7457  5316.84    294.519  5478.97    349.324  4918.27    547.698  100.516 3.2086  94.972  5.3462  5.544617       6.235186  
1 1 1 -18 34  6  o 248.663 4.5814  33582.56   1233.91  33920.06   1422.63  32557.57   2479.20  249.796 5.2582  243.721 9.3918  6.075500       10.76357  
1 1 1 -18 34  7  o 217.117 4.3392  25598.64   1020.41  26124.84   1108.73  22685.36   2608.83  219.289 4.6681  202.237 11.963  17.05266       12.84180  
1 1 1 -18 34  8  o 163.396 3.4486  14485.72   610.310  14832.83   703.639  13431.39   1226.32  165.296 3.9302  156.842 7.2189  8.454559       8.219452  
1 1 1 -18 34  9  o 25.847  7.9758  365.081    245.603  1016.54    381.995  -93.9924   320.668  42.307  8.6287  18.528  8.1744  23.77892       11.88596  
1 1 1 -18 34  10 o 126.254 3.1394  8648.91    429.306  8488.00    489.443  9185.66    893.924  125.035 3.6141  129.726 6.3621  -4.691391      7.317016  
1 1 1 -18 34  11 o 39.690  4.3418  866.770    183.602  1004.85    212.512  460.306    364.607  42.722  4.6687  29.525  9.7831  13.19710       10.83999  
1 1 1 -18 34  12 o 75.992  3.0449  3134.66    250.617  2885.40    286.430  3948.69    517.618  72.872  3.6290  84.862  5.6641  -11.98972      6.726920  
1 1 1 -18 34  13 o 137.133 3.2172  10215.28   477.844  9926.44    551.120  11090.02   959.077  135.104 3.7662  142.289 6.2232  -7.185242      7.274106  
1 1 1 -18 34  14 f 93.076  3.1513  4707.63    317.684  4915.84    373.880  4166.92    602.505  95.059  3.6314  86.867  6.4498  8.191521       7.401781  
1 1 1 -18 34  15 o 113.230 3.1890  6971.02    391.101  6878.68    454.753  7233.35    766.500  112.394 3.7356  114.547 6.2012  -2.153008      7.239498  
1 1 1 -18 34  16 o 71.889  3.4785  2813.86    270.850  2722.77    316.718  3061.78    522.538  70.514  4.1654  74.207  6.5692  -3.693130      7.778553  
1 1 1 -18 34  17 o 45.903  4.6164  1164.45    226.402  849.310    265.229  2010.69    434.623  38.685  6.5647  59.881  6.8230  -21.19588      9.468278  
1 1 1 -18 34  18 f 94.982  3.2425  4915.32    333.573  4729.29    396.482  5366.04    617.135  93.035  3.9347  98.424  5.8149  -5.389000      7.021025  
1 1 1 -18 34  19 o 110.909 3.2628  6707.24    391.940  6464.49    464.221  7309.81    731.401  108.713 3.9425  114.755 5.9046  -6.042313      7.099824  
1 1 1 -18 34  20 f 88.299  3.3824  4258.18    323.481  4112.78    388.750  4585.48    583.248  86.596  4.1448  90.645  5.9742  -4.048706      7.271210  
1 1 1 -18 34  21 o 42.810  5.0314  1026.94    228.841  1267.82    287.011  606.547    379.159  47.416  5.7030  31.969  9.9173  15.44775       11.44015  
1 1 1 -18 34  22 o 28.413  7.0497  475.666    215.917  285.311    339.583  604.848    279.746  24.620  9.3047  31.818  8.0973  -7.198318      12.33464  
1 1 1 -18 34  23 o 28.293  7.4464  476.952    231.297  425.168    379.217  507.629    291.874  27.750  9.9419  29.081  8.6375  -1.330381      13.17001  
1 1 1 -18 34  24 o 55.600  2.2272  1684.89    134.122  1806.75    146.719  1065.28    330.839  57.554  2.3536  42.338  7.4887  15.21627       7.849870  
1 1 1 -18 34  25 o 5.5494  2.4605  -10.1175   29.410   -12.5436   29.564   220.806    288.427  5.4622  2.4415  21.850  8.4935  -16.38784      8.837414  
1 1 1 -18 34  26 o 14.330  6.5629  -111.4281  229.662  -26.0412   385.575  -158.3794  285.915  19.656  8.7995  15.567  7.1991  4.089063       11.36921  
1 1 1 -18 34  27 o 31.063  10.307  686.314    404.639  686.314    404.639  0.0000     0.0000   31.063  10.307  ?       ?       0.000000       10.30682  
1 1 1 -18 34  28 o 25.493  10.001  417.647    402.818  417.647    402.818  0.0000     0.0000   25.493  10.001  ?       ?       0.000000       10.00149  
1 1 1 -18 34  29 o 53.872  8.2021  1938.33    463.474  1938.33    463.474  0.0000     0.0000   53.872  8.2021  ?       ?       0.000000       8.202085  
1 1 1 -18 34  30 o 20.805  10.252  -647.9940  822.697  -647.9940  822.697  0.0000     0.0000   20.805  10.252  ?       ?       0.000000       10.25218  
1 1 1 -18 35  1  o 291.429 5.2186  46156.14   1647.24  45841.34   1899.22  47111.98   3309.41  290.260 6.0411  292.897 10.432  -2.637024      12.05488  
1 1 1 -18 35  2  o 258.497 4.6798  36288.84   1310.25  35686.23   1509.88  38126.48   2636.64  256.215 5.4409  263.893 9.2247  -7.678070      10.70973  
1 1 1 -18 35  3  o 281.432 5.0163  43033.16   1529.07  42545.65   1762.73  44515.04   3073.29  279.676 5.8192  284.875 9.9605  -5.198944      11.53574  
1 1 1 -18 35  4  o 178.684 3.6146  17320.51   699.539  17651.03   804.097  16291.72   1418.63  180.334 4.1168  172.789 7.5803  7.545166       8.626031  
1 1 1 -18 35  5  o 38.747  1.6325  813.343    68.511   826.612    70.028   517.004    330.949  39.062  1.6552  30.595  9.2227  8.466372       9.370077  
1 1 1 -18 35  6  o 165.183 3.3877  14800.88   606.100  14381.53   696.748  16105.29   1228.84  162.778 3.9519  171.912 6.5996  -9.134720      7.692364  
1 1 1 -18 35  7  o 126.482 3.0771  8676.13    421.540  8953.25    483.708  7801.10    859.522  128.460 3.4765  119.432 6.6712  9.028572       7.522749  
1 1 1 -18 35  8  o 145.827 3.2636  11536.83   515.468  11927.49   593.164  10331.76   1041.80  148.239 3.6944  137.386 7.0247  10.85335       7.936903  
1 1 1 -18 35  9  o 189.892 5.3613  19630.71   1102.67  19390.17   1557.22  19872.59   1561.59  188.217 7.6387  190.564 7.5658  -2.346130      10.75138  
1 1 1 -18 35  10 o 59.871  3.3032  1951.47    213.372  2135.17    248.905  1442.32    414.388  62.595  3.6876  50.725  7.7917  11.87010       8.620296  
1 1 1 -18 35  11 o 94.678  2.7739  4863.21    284.450  4787.32    346.837  5019.11    497.130  93.894  3.4105  96.015  4.7804  -2.120781      5.872273  
1 1 1 -18 35  12 o 25.040  6.0726  356.508    162.999  428.638    184.215  96.352     349.851  27.448  6.3263  22.163  9.0986  5.284559       11.08180  
1 1 1 -18 35  13 o 118.117 3.0874  7577.90    394.985  7786.84    455.497  6944.48    793.077  119.682 3.5139  112.312 6.5480  7.370819       7.431255  
1 1 1 -18 35  14 o 98.564  3.1954  5280.44    341.125  4772.59    402.560  6573.91    642.453  93.611  3.9704  109.601 5.4120  -15.98980      6.712177  
1 1 1 -18 35  15 o 19.577  6.7978  190.916    176.243  266.449    228.225  79.329     277.399  22.732  7.7418  19.743  8.1032  2.988611       11.20702  
1 1 1 -18 35  16 o 18.059  7.1458  102.376    207.271  22.060     249.705  280.315    371.676  17.815  7.5274  25.685  9.7279  -7.870049      12.30020  
1 1 1 -18 35  17 o 69.501  3.5361  2639.42    265.306  2394.97    310.442  3301.53    510.916  66.038  4.3649  77.095  6.1703  -11.05725      7.558090  
1 1 1 -18 35  18 o 98.334  3.1956  5268.32    340.350  5203.44    397.955  5445.04    656.771  97.613  3.7641  98.987  6.1563  -1.373955      7.215865  
1 1 1 -18 35  19 o 38.570  5.2553  834.551    213.831  948.264    263.308  614.308    366.445  40.923  6.1291  32.390  9.6914  8.532963       11.46693  
1 1 1 -18 35  20 o 70.747  3.5321  2736.21    270.652  2683.81    325.487  2853.63    487.241  69.774  4.3283  71.238  6.3825  -1.463928      7.711731  
1 1 1 -18 35  21 o 107.299 3.3533  6296.81    389.708  6469.91    465.379  5890.50    712.981  108.554 3.9581  102.239 6.4720  6.315788       7.586411  
1 1 1 -18 35  22 o 57.647  3.8611  1834.52    239.685  1616.29    365.600  1999.03    317.415  53.175  6.4821  59.835  4.9421  -6.659950      8.151155  
1 1 1 -18 35  23 o 16.542  7.0463  20.514     221.805  -79.2689   363.925  79.485     279.773  19.329  8.6082  19.344  8.0566  -0.1503563E-01 11.79029  
1 1 1 -18 35  24 o 29.961  2.1091  491.395    68.006   689.667    379.338  484.811    69.126   33.115  9.8496  29.750  2.1600  3.364201       10.08370  
1 1 1 -18 35  25 o 28.153  7.6098  488.828    237.582  479.967    382.288  494.403    303.257  28.046  9.9891  28.117  8.8917  -0.7122803E-01 13.37326  
1 1 1 -18 35  26 o 32.258  8.6421  683.522    308.031  735.140    416.025  620.887    458.279  32.402  10.432  30.049  10.907  2.353214       15.09332  
1 1 1 -18 35  27 o 61.445  7.4470  2354.82    485.491  2354.82    485.491  0.0000     0.0000   61.445  7.4470  ?       ?       0.000000       7.447047  
1 1 1 -18 35  28 o 22.110  9.5388  183.790    416.164  183.790    416.164  0.0000     0.0000   22.110  9.5388  ?       ?       0.000000       9.538775  
1 1 1 -18 35  29 o 26.146  10.328  490.140    432.264  490.140    432.264  0.0000     0.0000   26.146  10.328  ?       ?       0.000000       10.32779  
1 1 1 -18 35  30 o 22.056  10.956  -776.7872  1009.54  -776.7872  1009.54  0.0000     0.0000   22.056  10.956  ?       ?       0.000000       10.95555  
1 1 1 -18 36  1  o 69.354  1.7789  2605.98    133.625  1892.23    183.472  3412.26    195.003  59.078  2.8673  79.351  2.2689  -20.27248      3.656434  
1 1 1 -18 36  2  o 125.191 2.9858  8497.84    404.853  8285.46    461.535  9206.71    843.190  123.592 3.4478  130.073 5.9851  -6.480759      6.907123  
1 1 1 -18 36  3  o 174.088 3.5575  16440.87   670.795  16935.91   770.389  14888.97   1364.03  176.647 4.0266  165.159 7.6252  11.48811       8.623043  
1 1 1 -18 36  4  o 177.531 3.6561  17099.87   703.014  17692.79   808.295  15258.18   1424.56  180.536 4.1337  167.136 7.8694  13.39973       8.889018  
1 1 1 -18 36  5  o 133.669 3.1572  9690.10    457.097  10191.17   524.255  8101.59    933.448  137.057 3.5316  121.664 7.1146  15.39294       7.942924  
1 1 1 -18 36  6  o 150.745 3.2301  12325.74   527.394  11768.15   605.427  14080.19   1073.93  147.252 3.7960  160.782 6.1670  -13.52994      7.241634  
1 1 1 -18 36  7  o 187.562 3.6955  19093.59   750.734  19156.52   864.554  18900.69   1513.72  187.804 4.2503  185.969 7.5151  1.834045       8.633736  
1 1 1 -18 36  8  o 63.191  2.9861  2165.85    204.378  2304.60    232.917  1701.49    426.115  65.088  3.3149  55.332  7.2875  9.756031       8.006021  
1 1 1 -18 36  9  o 197.687 5.5084  21289.25   1179.44  21161.30   1666.23  21417.73   1669.72  196.503 7.8288  197.700 7.7977  -1.196320      11.04965  
1 1 1 -18 36  10 o 133.701 3.1541  9701.80    456.756  9280.29    526.833  10977.61   916.563  130.709 3.7213  141.824 5.9668  -11.11566      7.032139  
1 1 1 -18 36  11 o 71.697  2.5460  2788.23    197.707  2676.98    270.491  2915.84    289.696  70.107  3.5741  73.258  3.6511  -3.150261      5.109223  
1 1 1 -18 36  12 o 36.910  4.6279  753.664    180.941  858.334    207.039  415.227    372.290  39.369  4.9659  28.581  9.8825  10.78802       11.05998  
1 1 1 -18 36  13 o 53.983  3.7296  1592.78    216.731  1638.48    252.888  1466.39    420.608  54.674  4.3054  50.965  7.8734  3.708263       8.973617  
1 1 1 -18 36  14 o 133.036 3.2376  9622.16    466.515  9755.95    536.005  9204.21    947.385  133.878 3.6965  129.089 6.7999  4.789368       7.739681  
1 1 1 -18 36  15 o 149.852 3.5621  12225.96   578.145  12182.14   650.216  12391.41   1263.43  149.476 4.0162  149.152 7.8484  0.3238678      8.816302  
1 1 1 -18 36  16 o 59.159  3.8629  1916.46    246.155  1824.43    288.634  2161.91    471.389  57.566  4.6695  62.070  7.1420  -4.503098      8.533005  
1 1 1 -18 36  17 o 104.810 3.3046  5983.52    375.138  5855.73    440.217  6322.45    716.907  103.562 3.9246  106.786 6.2254  -3.223419      7.359215  
1 1 1 -18 36  18 o 49.514  4.2894  1352.19    227.766  1101.96    264.702  2065.86    447.027  44.350  5.6380  60.525  6.9448  -16.17587      8.945271  
1 1 1 -18 36  19 o 113.256 3.2359  6995.76    396.943  6862.97    466.068  7346.49    757.444  112.015 3.8415  114.877 6.1096  -2.862152      7.216964  
1 1 1 -18 36  20 o 54.242  4.2054  1624.62    245.133  1411.68    301.504  2039.88    421.036  50.142  5.6501  60.045  6.5819  -9.902763      8.674341  
1 1 1 -18 36  21 o 106.465 3.3455  6200.31    385.775  5852.49    456.567  7068.38    721.274  103.183 4.0853  112.325 5.9498  -9.141891      7.217382  
1 1 1 -18 36  22 o 61.836  2.4278  2083.36    162.604  2161.71    194.243  1899.88    297.249  62.916  2.8505  58.376  4.7423  4.539993       5.533018  
1 1 1 -18 36  23 o 35.469  6.2103  729.358    229.885  814.386    373.434  677.474    291.709  36.305  9.4168  33.503  8.1229  2.801613       12.43619  
1 1 1 -18 36  24 o 50.162  4.8901  1419.67    262.302  1194.87    427.025  1555.87    332.403  43.790  9.2911  52.022  6.0101  -8.231670      11.06554  
1 1 1 -18 36  25 o 61.805  4.1966  2143.81    279.257  2662.10    438.656  1790.61    362.118  67.677  6.0480  55.362  6.1426  12.31527       8.620372  
1 1 1 -18 36  26 o 20.777  8.3498  193.418    287.399  413.908    380.403  -99.8135   438.687  25.988  9.8418  19.881  9.0925  6.107367       13.39907  
1 1 1 -18 36  27 o 57.571  7.4436  2073.24    453.280  2073.24    453.280  0.0000     0.0000   57.571  7.4436  ?       ?       0.000000       7.443566  
1 1 1 -18 36  28 o 21.299  9.2316  151.013    393.423  151.013    393.423  0.0000     0.0000   21.299  9.2316  ?       ?       0.000000       9.231627  
1 1 1 -18 36  29 o 23.078  9.7510  291.002    419.009  291.002    419.009  0.0000     0.0000   23.078  9.7510  ?       ?       0.000000       9.751038  
1 1 1 -18 36  30 o 17.866  9.0089  -1527.9280 814.093  -1527.9280 814.093  0.0000     0.0000   17.866  9.0089  ?       ?       0.000000       9.008934  
1 1 1 -18 37  1  o 280.201 4.8725  42662.00   1478.75  42686.50   1704.53  42587.45   2973.20  280.126 5.6180  278.511 9.8562  1.614563       11.34491  
1 1 1 -18 37  2  o 204.532 3.8822  22703.34   860.030  22803.03   989.285  22394.85   1740.22  204.911 4.4574  202.453 7.9361  2.457855       9.102259  
1 1 1 -18 37  3  o 76.344  2.3598  3158.94    195.130  3128.27    243.310  3214.21    326.658  75.956  2.9575  76.855  3.9374  -0.8990097     4.924461  
1 1 1 -18 37  4  o 243.677 4.4224  32248.54   1167.18  32135.95   1344.70  32592.53   2350.42  243.135 5.1063  243.913 8.8969  -0.7783051     10.25815  
1 1 1 -18 37  5  o 231.777 4.5302  29183.28   1137.26  29319.61   1232.05  28398.16   2956.61  232.257 4.8977  226.185 12.113  6.071808       13.06534  
1 1 1 -18 37  6  o 51.967  2.9861  1469.43    167.369  1513.37    186.095  1283.47    382.840  52.717  3.2754  47.882  7.6388  4.834923       8.311405  
1 1 1 -18 37  7  o 181.636 3.6645  17907.70   720.913  18652.37   830.502  15631.35   1452.03  185.316 4.1377  168.988 7.9332  16.32805       8.947441  
1 1 1 -18 37  8  o 267.809 4.7126  39002.21   1366.96  37418.61   1576.21  43807.26   2745.61  262.106 5.5522  282.297 8.9797  -20.19077      10.55758  
1 1 1 -18 37  9  o 166.791 4.9611  15142.33   896.222  16387.82   1268.27  13900.05   1266.63  173.138 6.7632  159.322 7.3401  13.81528       9.980856  
1 1 1 -18 37  10 o 53.973  3.3759  1587.86    196.359  1669.33    227.137  1346.88    390.653  55.297  3.8158  48.990  7.6092  6.307156       8.512327  
1 1 1 -18 37  11 o 98.640  2.9662  5281.30    316.898  5312.61    367.066  5189.67    627.959  98.894  3.4269  97.260  5.9903  1.634399       6.901227  
1 1 1 -18 37  12 o 75.141  3.1005  3066.45    252.336  3351.61    290.022  2178.11    511.891  78.533  3.4096  62.412  7.7385  16.12114       8.456346  
1 1 1 -18 37  13 o 69.607  2.7102  2630.48    204.324  2897.87    300.867  2401.59    278.358  72.869  3.8254  66.308  3.8929  6.560738       5.457909  
1 1 1 -18 37  14 o 95.928  2.9957  5000.76    311.255  4871.17    391.756  5222.60    512.567  94.574  3.8245  97.761  4.8408  -3.186821      6.169276  
1 1 1 -18 37  15 o 112.366 3.0704  6865.69    373.677  7487.03    448.594  5457.28    675.389  117.263 3.5320  99.339  6.3099  17.92362       7.231157  
1 1 1 -18 37  16 o 96.375  3.2696  5055.83    341.298  5060.48    399.229  5043.23    657.853  96.328  3.8265  95.362  6.4063  0.9654312      7.462122  
1 1 1 -18 37  17 o 74.851  3.4963  3054.51    283.451  3055.87    332.303  3050.88    543.084  74.659  4.1254  73.811  6.8722  0.8483505      8.015380  
1 1 1 -18 37  18 o 70.146  2.6796  2676.46    203.582  2315.83    318.453  2925.71    264.746  64.824  4.5648  73.250  3.3369  -8.426529      5.654434  
1 1 1 -18 37  19 o 81.515  3.3163  3625.86    292.794  3781.81    348.710  3253.16    539.088  83.135  3.8726  76.104  6.6056  7.031624       7.657104  
1 1 1 -18 37  20 o 69.803  3.6113  2673.08    272.090  2380.19    327.572  3324.81    488.641  65.577  4.6419  77.083  5.8975  -11.50549      7.505223  
1 1 1 -18 37  21 o 86.604  3.5147  4107.88    329.683  3659.63    397.548  5095.06    589.968  81.322  4.5315  95.407  5.7359  -14.08549      7.309914  
1 1 1 -18 37  22 o 83.658  4.0186  3854.96    364.124  3465.44    471.938  4427.90    572.370  78.529  5.5850  88.569  6.0020  -10.03992      8.198535  
1 1 1 -18 37  23 o 60.951  3.9425  2056.51    258.872  2435.10    420.239  1825.00    328.627  65.454  5.9944  56.858  5.4011  8.595310       8.068742  
1 1 1 -18 37  24 f 10.395  2.9929  60.592     35.521   568.324    365.386  55.748     35.690   30.263  9.7804  10.040  3.0292  20.22289       10.23879  
1 1 1 -18 37  25 o 39.128  6.1844  906.093    253.386  1018.93    414.287  838.655    320.275  39.259  9.7794  36.446  8.2992  2.812744       12.82625  
1 1 1 -18 37  26 o 20.670  8.3302  189.870    286.921  210.211    379.758  162.815    437.976  22.525  9.3845  22.754  9.8012  -0.2286816     13.56953  
1 1 1 -18 37  27 o 27.700  10.294  523.491    412.043  523.491    412.043  0.0000     0.0000   27.700  10.294  ?       ?       0.000000       10.29385  
1 1 1 -18 37  28 o 24.993  10.122  391.110    425.925  391.110    425.925  0.0000     0.0000   24.993  10.122  ?       ?       0.000000       10.12227  
1 1 1 -18 37  29 o 20.145  9.0943  50.477     421.622  50.477     421.622  0.0000     0.0000   20.145  9.0943  ?       ?       0.000000       9.094263  
1 1 1 -18 37  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 38  1  o 72.146  2.5975  2821.64    202.974  2749.10    224.907  3140.07    471.236  71.203  2.9163  75.738  5.7883  -4.535324      6.481488  
1 1 1 -18 38  2  o 203.611 3.9188  22502.93   864.229  22558.84   994.169  22329.99   1748.43  203.789 4.5041  202.098 7.9876  1.690826       9.169982  
1 1 1 -18 38  3  o 191.952 3.8194  19997.77   794.061  20729.42   913.064  17726.92   1608.58  195.373 4.3149  180.001 8.2508  15.37140       9.310978  
1 1 1 -18 38  4  o 169.120 3.6311  15520.87   665.126  15551.45   731.627  15375.21   1596.69  169.251 3.9911  167.261 8.8451  1.990128       9.703864  
1 1 1 -18 38  5  o 106.680 2.9337  6171.68    338.974  6535.63    386.721  4964.75    704.233  109.763 3.2529  95.144  6.8803  14.61900       7.610484  
1 1 1 -18 38  6  o 151.487 3.2236  12449.60   528.917  12131.53   607.137  13450.93   1077.25  149.493 3.7497  157.068 6.3322  -7.574661      7.359171  
1 1 1 -18 38  7  o 33.353  1.3797  602.644    49.843   426.538    149.063  624.812    52.887   27.552  5.1853  33.960  1.4378  -6.408016      5.380993  
1 1 1 -18 38  8  o 144.068 3.3023  11264.60   515.292  11313.83   576.171  11067.86   1151.78  144.344 3.6854  141.970 7.5171  2.374023       8.371945  
1 1 1 -18 38  9  o 161.302 4.1582  14143.66   726.468  14406.02   841.773  13377.95   1438.08  162.693 4.7770  155.701 8.5604  6.991562       9.803043  
1 1 1 -18 38  10 o 122.288 3.0764  8117.12    407.473  8188.30    470.490  7903.50    815.045  122.777 3.5380  120.071 6.2891  2.706032       7.215957  
1 1 1 -18 38  11 o 53.698  3.3489  1572.39    193.802  1442.72    223.929  1959.40    386.848  51.339  4.0602  59.547  6.0835  -8.207390      7.314001  
1 1 1 -18 38  12 o 205.125 3.9910  22900.19   886.682  22762.17   1024.53  23312.07   1769.84  204.330 4.6294  205.450 7.9535  -1.119888      9.202681  
1 1 1 -18 38  13 o 153.233 3.6986  12778.23   613.848  12154.71   687.131  15242.57   1366.05  149.332 4.2483  166.060 7.5950  -16.72845      8.702448  
1 1 1 -18 38  14 f 170.566 3.6166  15838.09   668.139  15821.20   774.103  15887.42   1323.02  170.322 4.1962  169.522 7.2056  0.7995911      8.338414  
1 1 1 -18 38  15 f 208.187 4.0500  23643.19   913.219  23890.58   1056.68  22913.13   1815.22  209.025 4.6674  202.634 8.2708  6.391235       9.496849  
1 1 1 -18 38  16 o 126.347 3.3060  8692.21    452.411  8558.67    536.040  9022.86    843.483  125.228 3.9521  127.903 6.0887  -2.675064      7.258886  
1 1 1 -18 38  17 o 118.760 3.2781  7684.87    421.659  7320.84    490.118  8721.79    827.182  115.765 3.9089  125.589 6.0811  -9.824234      7.229013  
1 1 1 -18 38  18 o 27.121  1.0446  398.612    30.684   -5.8271    239.131  405.382    30.940   16.882  7.2568  27.350  1.0444  -10.46824      7.331614  
1 1 1 -18 38  19 o 97.068  3.2927  5142.46    346.175  5216.59    409.020  4955.28    649.946  97.622  3.8684  94.074  6.4171  3.548386       7.492888  
1 1 1 -18 38  20 o 63.315  3.9049  2206.31    266.478  2128.94    326.514  2360.64    461.138  61.904  4.9102  64.533  6.6949  -2.629265      8.302514  
1 1 1 -18 38  21 o 36.213  6.0327  751.917    228.288  453.320    286.598  1270.24    377.599  27.853  8.6192  46.616  7.7509  -18.76278      11.59172  
1 1 1 -18 38  22 o 39.146  5.6977  874.636    234.486  1004.05    298.424  665.804    379.092  41.549  6.8716  32.974  9.8552  8.574780       12.01431  
1 1 1 -18 38  23 o 79.216  2.9352  3433.77    251.834  3509.57    330.062  3328.18    389.587  79.800  3.8188  77.246  4.6785  2.554138       6.039179  
1 1 1 -18 38  24 o 75.961  2.9486  3165.59    242.588  3929.06    475.758  2897.36    282.002  83.289  5.3014  72.445  3.5940  10.84442       6.404837  
1 1 1 -18 38  25 o 45.193  5.3555  1182.98    257.046  1144.69    407.042  1208.39    331.510  41.957  9.2096  44.648  7.0924  -2.691158      11.62401  
1 1 1 -18 38  26 o 36.507  10.449  945.771    434.104  945.771    434.104  0.0000     0.0000   36.507  10.449  ?       ?       0.000000       10.44858  
1 1 1 -18 38  27 o 50.685  9.1346  1727.17    483.015  1727.17    483.015  0.0000     0.0000   50.685  9.1346  ?       ?       0.000000       9.134604  
1 1 1 -18 38  28 o 31.839  11.005  797.723    461.656  797.723    461.656  0.0000     0.0000   31.839  11.005  ?       ?       0.000000       11.00510  
1 1 1 -18 38  29 o 29.048  10.914  683.436    465.688  683.436    465.688  0.0000     0.0000   29.048  10.914  ?       ?       0.000000       10.91402  
1 1 1 -18 39  1  o 88.275  2.5918  4224.49    247.800  4020.03    277.501  5029.20    550.519  86.097  2.9758  96.007  5.3149  -9.909424      6.091293  
1 1 1 -18 39  2  o 47.701  3.1093  1239.36    159.767  1454.93    174.895  152.556    392.702  51.697  3.1383  24.272  9.7583  27.42502       10.25056  
1 1 1 -18 39  3  o 76.143  2.6935  3143.43    222.137  3106.94    247.295  3295.92    505.498  75.689  3.0166  77.552  6.0664  -1.863678      6.774996  
1 1 1 -18 39  4  o 230.449 4.5331  28856.91   1131.47  28645.97   1332.25  29402.85   2143.26  229.451 5.3607  231.628 8.5431  -2.176605      10.08571  
1 1 1 -18 39  5  o 202.451 3.9656  22255.69   869.549  23156.69   1001.41  19494.23   1753.14  206.432 4.4788  188.548 8.5847  17.88364       9.682794  
1 1 1 -18 39  6  f 131.520 3.0875  9383.68    439.815  9272.53    495.990  9792.68    951.435  130.707 3.5035  133.952 6.5578  -3.245544      7.435021  
1 1 1 -18 39  7  o 167.100 3.3720  15154.92   610.283  14782.69   701.370  16315.28   1238.34  164.971 3.9253  172.836 6.6151  -7.865845      7.692029  
1 1 1 -18 39  8  o 52.363  3.1472  1493.32    177.661  1546.53    201.533  1307.77    376.323  53.254  3.5137  48.319  7.4285  4.935165       8.217629  
1 1 1 -18 39  9  f 31.527  5.8210  559.420    191.448  600.483    241.706  490.284    313.629  32.496  7.0685  29.694  8.9842  2.801655       11.43150  
1 1 1 -18 39  10 o 27.122  5.6110  416.233    159.390  329.301    184.721  669.594    315.353  24.179  6.7797  34.182  8.5419  -10.00252      10.90539  
1 1 1 -18 39  11 o 56.610  3.2484  1746.54    198.339  1930.39    229.661  1207.04    393.411  59.485  3.5813  46.112  8.1764  13.37343       8.926303  
1 1 1 -18 39  12 f 34.068  4.9684  646.682    177.937  695.462    213.997  537.405    320.297  35.188  5.8182  30.789  9.0227  4.399914       10.73596  
1 1 1 -18 39  13 o 31.352  5.7502  555.264    188.065  605.952    220.447  419.741    360.460  32.647  6.4631  28.397  9.7292  4.250357       11.68028  
1 1 1 -18 39  14 o 45.743  4.2838  1151.56    209.765  1091.43    248.245  1301.68    392.247  44.336  5.2730  47.843  7.8413  -3.506916      9.449374  
1 1 1 -18 39  15 o 151.986 3.4312  12576.82   564.839  12065.96   656.855  14026.69   1106.57  148.703 4.0783  159.451 6.4074  -10.74835      7.595228  
1 1 1 -18 39  16 o 23.373  1.4227  297.263    35.845   224.280    233.790  299.020    36.274   21.667  7.8015  23.442  1.4356  -1.774935      7.932533  
1 1 1 -18 39  17 o 53.772  4.0025  1589.03    231.438  1804.09    267.833  955.070    459.845  57.241  4.3526  39.997  10.486  17.24401       11.35381  
1 1 1 -18 39  18 o 69.993  3.7079  2683.97    280.088  2722.67    332.467  2589.34    519.868  70.336  4.3860  67.676  7.2030  2.660385       8.433290  
1 1 1 -18 39  19 o 48.920  4.5987  1327.28    240.802  1115.83    284.612  1859.94    451.728  44.413  6.0759  57.005  7.4982  -12.59198      9.650908  
1 1 1 -18 39  20 o 69.104  3.7796  2625.07    281.822  2824.73    349.071  2251.33    477.604  71.463  4.5333  62.772  7.1525  8.690929       8.468154  
1 1 1 -18 39  21 o 38.951  5.4492  859.963    223.598  773.721    276.360  1023.41    380.463  36.311  7.2804  41.296  8.7767  -4.984760      11.40327  
1 1 1 -18 39  22 o 57.480  4.3429  1835.75    268.381  1575.19    337.394  2284.68    442.860  52.597  6.0316  63.191  6.5664  -10.59463      8.916162  
1 1 1 -18 39  23 o 45.676  4.9260  1176.40    239.845  979.202    404.618  1283.23    297.806  39.616  9.5432  47.320  5.9416  -7.704330      11.24162  
1 1 1 -18 39  24 o 76.265  3.6789  3217.43    303.887  3589.89    504.910  3005.87    380.525  79.051  5.9405  73.016  4.8391  6.034866       7.661986  
1 1 1 -18 39  25 f 23.825  7.7914  346.535    231.545  174.366    398.952  433.987    284.333  22.595  9.5293  26.250  8.6365  -3.654135      12.86062  
1 1 1 -18 39  26 o 32.560  1.6467  579.351    57.883   579.351    57.883   0.0000     0.0000   32.560  1.6467  ?       ?       0.000000       1.646679  
1 1 1 -18 39  27 o 34.072  10.576  859.099    431.143  859.099    431.143  0.0000     0.0000   34.072  10.576  ?       ?       0.000000       10.57627  
1 1 1 -18 39  28 o 29.422  10.613  659.888    432.900  659.888    432.900  0.0000     0.0000   29.422  10.613  ?       ?       0.000000       10.61316  
1 1 1 -18 39  29 o 33.500  10.880  916.040    451.799  916.040    451.799  0.0000     0.0000   33.500  10.880  ?       ?       0.000000       10.88014  
1 1 1 -18 40  1  o 71.606  4.2296  2794.80    326.580  3091.70    451.230  2468.21    473.265  75.156  5.5831  66.945  6.6135  8.211205       8.654993  
1 1 1 -18 40  2  o 160.000 3.4611  13891.69   599.799  13984.01   687.841  13598.74   1225.33  160.482 3.9572  157.784 7.1700  2.697922       8.189553  
1 1 1 -18 40  3  o 264.054 4.9213  37914.75   1407.48  38397.31   1622.19  36445.17   2830.88  265.558 5.6399  257.171 10.163  8.387299       11.62321  
1 1 1 -18 40  4  o 89.053  2.8373  4300.81    273.668  4560.44    308.740  3348.89    591.183  91.689  3.1089  77.985  7.0761  13.70359       7.728923  
1 1 1 -18 40  5  o 188.297 3.6882  19248.76   752.193  18853.83   867.127  20449.37   1511.90  186.273 4.2980  193.405 7.2175  -7.131897      8.400268  
1 1 1 -18 40  6  o 207.843 3.9294  23464.20   884.576  23652.05   1018.70  22888.40   1783.51  208.575 4.5094  204.303 8.0599  4.271271       9.235589  
1 1 1 -18 40  7  o 84.822  2.7568  3902.49    253.270  3934.36    287.241  3791.17    536.878  85.149  3.1146  83.148  6.0018  2.001358       6.761836  
1 1 1 -18 40  8  o 76.730  2.8079  3194.00    233.356  3331.78    265.793  2730.62    487.446  78.350  3.1321  70.391  6.4658  7.959610       7.184492  
1 1 1 -18 40  9  o 255.083 5.4052  35490.66   1493.36  35261.82   1829.42  35947.69   2585.36  253.793 6.6552  254.907 9.3642  -1.114197      11.48823  
1 1 1 -18 40  10 o 100.097 2.8793  5438.39    312.161  5502.89    375.028  5292.90    563.240  100.640 3.4405  98.341  5.3076  2.298920       6.325213  
1 1 1 -18 40  11 o 146.194 3.2971  11613.10   522.073  11747.60   604.110  11216.30   1037.62  146.958 3.7954  142.929 6.7027  4.028793       7.702644  
1 1 1 -18 40  12 o 60.283  2.4922  1972.29    162.725  1995.12    271.295  1959.47    203.370  60.372  4.1746  59.967  3.1421  0.4046249      5.224902  
1 1 1 -18 40  13 o 112.748 3.2245  6911.99    393.764  6528.18    460.730  7951.99    758.406  109.474 3.8857  120.391 5.8162  -10.91709      6.994723  
1 1 1 -18 40  14 o 76.471  3.4242  3182.82    283.612  3105.46    339.388  3361.89    516.363  75.331  4.1759  77.925  6.1684  -2.594078      7.448967  
1 1 1 -18 40  15 o 52.266  4.1755  1500.82    234.403  1180.46    283.266  2196.70    417.487  45.975  5.8188  62.829  6.2165  -16.85417      8.514947  
1 1 1 -18 40  16 o 132.618 3.3412  9581.36    479.931  9823.98    552.121  8831.27    970.787  134.170 3.7993  125.805 7.1541  8.365173       8.100362  
1 1 1 -18 40  17 o 115.616 3.2392  7284.25    405.632  7317.57    470.206  7187.31    802.012  115.757 3.7503  113.586 6.5468  2.171959       7.544929  
1 1 1 -18 40  18 o 15.702  6.6813  9.0774     199.019  132.946    233.894  -315.8868  378.841  19.419  7.6203  17.542  8.1717  1.877161       11.17343  
1 1 1 -18 40  19 o 61.908  4.0612  2110.28    270.805  2201.38    323.141  1895.36    496.333  63.042  4.7677  57.202  8.2497  5.840927       9.528277  
1 1 1 -18 40  20 f 67.274  3.8373  2490.21    278.444  2385.71    335.339  2722.21    499.664  65.567  4.7544  69.248  6.7477  -3.680969      8.254404  
1 1 1 -18 40  21 o 75.516  3.6133  3128.39    295.539  3050.04    359.955  3290.47    517.702  74.175  4.5017  76.214  6.3288  -2.039574      7.766534  
1 1 1 -18 40  22 o 49.552  4.9082  1377.23    259.962  1313.23    332.047  1478.57    417.854  47.727  6.6000  50.036  7.9783  -2.308563      10.35441  
1 1 1 -18 40  23 o 32.731  6.5485  631.268    224.045  706.184    388.991  594.078    274.070  33.510  9.9757  31.245  8.0490  2.264612       12.81805  
1 1 1 -18 40  24 o 47.673  4.9430  1293.18    251.521  1210.53    444.205  1332.19    305.151  43.329  9.7062  47.855  6.0206  -4.526104      11.42183  
1 1 1 -18 40  25 o 27.497  8.4520  485.904    276.110  496.030    420.647  478.238    365.991  27.894  10.394  27.343  9.7701  0.5503731      14.26486  
1 1 1 -18 40  26 o 18.432  8.5522  -175.3876  408.405  -175.3876  408.405  0.0000     0.0000   18.432  8.5522  ?       ?       0.000000       8.552244  
1 1 1 -18 40  27 o 19.455  8.8389  -41.0383   405.909  -41.0383   405.909  0.0000     0.0000   19.455  8.8389  ?       ?       0.000000       8.838893  
1 1 1 -18 40  28 o ?       ?       -205.8308  34.811   -205.8308  34.811   0.0000     0.0000   ?       ?       ?       ?       0.000000       ?         
1 1 1 -18 40  29 o 25.298  10.384  439.393    455.556  439.393    455.556  0.0000     0.0000   25.298  10.384  ?       ?       0.000000       10.38366  
1 1 1 -18 41  1  o 197.712 5.4545  21283.10   1168.05  20823.87   1642.83  21752.57   1661.06  195.030 7.7771  199.355 7.6929  -4.324753      10.93912  
1 1 1 -18 41  2  o 219.922 4.0880  26271.27   973.763  26437.01   1120.70  25760.61   1967.16  220.510 4.6924  216.736 8.3799  3.773361       9.604193  
1 1 1 -18 41  3  o 299.013 5.4138  48678.14   1753.31  45366.63   2072.32  57019.64   3289.02  288.279 6.6370  321.885 9.4340  -33.60577      11.53475  
1 1 1 -18 41  4  o 195.860 3.8010  20830.84   806.341  20868.25   927.220  20714.75   1633.26  195.951 4.3688  194.486 7.7535  1.465118       8.899601  
1 1 1 -18 41  5  o 121.428 2.9962  7999.10    394.065  8180.38    450.340  7406.72    814.099  122.767 3.3868  116.294 6.4891  6.473099       7.319789  
1 1 1 -18 41  6  o 72.932  2.7210  2884.93    214.941  2824.35    242.056  3110.77    467.378  72.146  3.0977  75.315  5.7735  -3.169327      6.551991  
1 1 1 -18 41  7  o 17.164  5.8014  149.372    128.146  158.145    143.408  114.611    285.458  17.842  6.1356  20.763  8.3295  -2.920549      10.34536  
1 1 1 -18 41  8  o 94.401  2.8052  4835.11    286.822  4658.69    327.397  5417.45    594.833  92.633  3.2632  99.505  5.5413  -6.872002      6.430689  
1 1 1 -18 41  9  o 94.684  3.4250  4869.98    351.243  4675.67    433.088  5243.40    600.398  92.692  4.3138  97.821  5.6914  -5.129021      7.141477  
1 1 1 -18 41  10 o 103.423 2.9840  5807.64    334.255  6055.93    386.787  5075.26    664.291  105.571 3.3826  96.023  6.4243  9.548454       7.260456  
1 1 1 -18 41  11 o 133.460 3.2120  9678.45    464.301  9745.21    539.710  9488.33    910.706  133.842 3.7230  131.488 6.3947  2.353806       7.399562  
1 1 1 -18 41  12 o 70.884  2.6050  2727.75    200.000  2812.62    286.665  2647.26    279.171  71.795  3.6991  69.644  3.7144  2.150314       5.242099  
1 1 1 -18 41  13 o 23.053  6.7055  298.956    177.497  394.687    207.070  33.756     344.649  26.290  7.1037  20.920  8.8416  5.370216       11.34180  
1 1 1 -18 41  14 o 107.892 3.1267  6331.08    365.384  6515.39    426.272  5820.61    709.420  109.375 3.5983  102.559 6.4188  6.816429       7.358564  
1 1 1 -18 41  15 o 164.370 3.5632  14722.31   634.359  15014.97   736.753  13883.47   1247.34  165.829 4.1020  158.074 7.2854  7.755493       8.360826  
1 1 1 -18 41  16 o 76.177  3.4412  3163.29    283.929  3104.30    333.740  3317.87    540.226  75.250  4.1104  77.108  6.5299  -1.858383      7.715829  
1 1 1 -18 41  17 o 176.928 3.7572  17098.49   720.000  16895.10   835.896  17683.19   1417.30  175.596 4.3951  177.786 7.3602  -2.189758      8.572626  
1 1 1 -18 41  18 o 51.878  4.1612  1483.95    231.846  1386.62    269.458  1761.41    454.967  49.923  5.0529  55.413  7.7960  -5.490089      9.290329  
1 1 1 -18 41  19 o 39.677  5.2662  885.172    220.722  812.578    257.934  1083.73    426.581  37.611  6.5709  42.519  9.5021  -4.907478      11.55275  
1 1 1 -18 41  20 o 48.053  4.7678  1287.54    244.871  1389.78    291.652  1043.27    450.789  49.711  5.5095  41.277  10.153  8.434082       11.55175  
1 1 1 -18 41  21 o 64.290  3.9199  2281.46    271.650  2200.95    334.455  2437.53    465.666  62.787  4.9585  65.327  6.6750  -2.540649      8.315201  
1 1 1 -18 41  22 o 75.286  2.8911  3098.30    235.745  3121.33    264.772  3010.22    517.848  75.476  3.2389  72.507  6.6688  2.968292       7.413674  
1 1 1 -18 41  23 o 56.145  4.3177  1759.65    260.551  1565.62    448.485  1858.51    320.113  50.888  8.4323  57.327  5.2125  -6.439022      9.913311  
1 1 1 -18 41  24 o 36.813  6.0749  798.105    233.770  1182.68    407.950  610.080    285.248  43.154  9.0186  31.142  8.3045  12.01140       12.25967  
1 1 1 -18 41  25 o 27.097  1.7021  401.779    49.702   404.535    50.175   257.828    362.596  27.189  1.7126  23.170  9.3551  4.018820       9.510554  
1 1 1 -18 41  26 o 26.694  10.357  449.482    428.237  449.482    428.237  0.0000     0.0000   26.694  10.357  ?       ?       0.000000       10.35676  
1 1 1 -18 41  27 o 26.823  10.495  483.905    442.558  483.905    442.558  0.0000     0.0000   26.823  10.495  ?       ?       0.000000       10.49460  
1 1 1 -18 41  28 o 15.996  7.7311  -415.3147  406.690  -415.3147  406.690  0.0000     0.0000   15.996  7.7311  ?       ?       0.000000       7.731106  
1 1 1 -18 41  29 o 23.778  9.9691  339.921    432.496  339.921    432.496  0.0000     0.0000   23.778  9.9691  ?       ?       0.000000       9.969131  
1 1 1 -18 42  1  o 166.317 5.5414  15069.27   998.227  15943.49   1583.44  14492.69   1285.95  170.150 8.6203  162.751 7.2951  7.399414       11.29278  
1 1 1 -18 42  2  o 122.166 2.9359  8095.84    388.468  7978.38    442.173  8493.17    813.265  121.244 3.3671  124.796 6.0167  -3.551399      6.894843  
1 1 1 -18 42  3  o 136.696 3.2567  10140.38   482.177  10527.95   551.410  8881.14    993.919  139.247 3.6561  127.209 7.2437  12.03766       8.114124  
1 1 1 -18 42  4  o 150.174 3.3207  12240.18   540.118  12488.18   618.794  11446.69   1106.85  151.639 3.7676  144.663 7.0642  6.976715       8.006100  
1 1 1 -18 42  5  o 54.315  2.8275  1604.61    165.760  1587.34    182.759  1684.71    393.586  53.993  3.1387  55.118  6.7329  -1.124191      7.428551  
1 1 1 -18 42  6  o 92.106  2.6946  4601.60    268.815  5061.24    321.018  3522.90    491.784  96.574  3.0690  80.171  5.7007  16.40293       6.474308  
1 1 1 -18 42  7  o 69.323  2.3216  2605.79    174.315  2636.02    232.544  2567.02    263.360  69.691  3.0808  68.656  3.5538  1.034309       4.703238  
1 1 1 -18 42  8  o 140.222 3.2110  10676.02   487.676  10760.82   546.958  10347.21   1077.04  140.732 3.5883  137.121 7.2781  3.611069       8.114581  
1 1 1 -18 42  9  o 248.942 5.2991  33824.97   1428.78  34032.20   1748.83  33408.99   2477.76  249.222 6.4787  245.409 9.3218  3.813644       11.35207  
1 1 1 -18 42  10 o 139.878 3.2340  10630.20   489.954  10968.74   568.290  9649.89    967.053  142.019 3.6945  132.390 6.7667  9.629028       7.709607  
1 1 1 -18 42  11 o 129.267 3.1778  9080.81    444.918  9023.46    514.789  9250.11    884.493  128.781 3.6907  129.812 6.2908  -1.031662      7.293540  
1 1 1 -18 42  12 o 86.258  3.0753  4043.75    287.313  3732.23    331.997  4973.01    573.397  82.802  3.7019  95.108  5.5909  -12.30609      6.705374  
1 1 1 -18 42  13 o 60.427  3.6103  1995.12    235.207  2220.26    277.372  1418.84    443.770  63.688  4.0420  49.796  8.5350  13.89121       9.443741  
1 1 1 -18 42  14 o 88.348  3.2217  4246.90    308.288  4486.92    363.596  3633.05    581.483  90.743  3.6994  80.827  6.7026  9.915726       7.655806  
1 1 1 -18 42  15 o 80.721  3.3812  3549.15    295.613  3535.57    351.687  3581.86    545.690  80.366  4.0534  80.282  6.3270  0.8397675E-01  7.514005  
1 1 1 -18 42  16 o 95.263  3.2245  4943.83    332.702  4475.59    391.589  6159.04    630.840  90.497  3.9951  105.587 5.5355  -15.08966      6.826575  
1 1 1 -18 42  17 o 56.259  4.0950  1740.97    247.812  1606.88    290.614  2098.30    474.401  53.819  5.0444  60.828  7.3497  -7.009460      8.914260  
1 1 1 -18 42  18 o 54.236  4.0678  1620.46    237.215  1749.12    275.994  1256.69    464.083  56.238  4.5706  45.936  9.6352  10.30168       10.66430  
1 1 1 -18 42  19 o 42.710  4.9525  1020.15    224.850  923.197    262.944  1283.94    433.721  40.231  6.2363  46.554  8.9264  -6.323727      10.88908  
1 1 1 -18 42  20 o 19.084  7.3441  147.328    213.969  185.699    254.713  55.336     394.392  20.954  8.0251  22.047  9.3939  -1.093399      12.35502  
1 1 1 -18 42  21 o 84.413  3.5488  3909.42    324.458  4006.79    388.895  3686.41    588.531  85.233  4.2126  80.333  6.8287  4.899750       8.023580  
1 1 1 -18 42  22 o 41.062  5.5884  961.408    242.086  960.145    309.223  963.408    389.100  40.340  7.3481  39.571  9.2453  0.7690506      11.80971  
1 1 1 -18 42  23 o 31.210  8.0672  596.854    274.689  409.864    406.780  753.595    372.427  27.345  10.215  34.493  9.6108  -7.147413      14.02535  
1 1 1 -18 42  24 o 70.541  3.8702  2777.85    294.561  3241.90    498.495  2528.89    365.123  74.504  6.2348  66.565  5.1032  7.938965       8.056978  
1 1 1 -18 42  25 o 17.889  7.6271  63.483     260.311  -53.2347   391.649  155.848    348.404  19.424  8.7672  21.271  8.9344  -1.847235      12.51751  
1 1 1 -18 42  26 o 12.429  5.9102  -224.2015  217.105  -361.1978  392.439  -163.7816  260.620  16.422  7.8469  14.596  6.7923  1.825983       10.37832  
1 1 1 -18 42  27 o 17.656  8.2878  -210.8936  402.137  -210.8936  402.137  0.0000     0.0000   17.656  8.2878  ?       ?       0.000000       8.287833  
1 1 1 -18 42  28 o 14.492  7.1500  -649.4826  404.293  -649.4826  404.293  0.0000     0.0000   14.492  7.1500  ?       ?       0.000000       7.149990  
1 1 1 -18 42  29 o 25.469  10.292  454.925    439.225  454.925    439.225  0.0000     0.0000   25.469  10.292  ?       ?       0.000000       10.29168  
1 1 1 -18 43  1  o 17.396  6.9058  87.577     194.165  250.723    260.469  -116.4642  291.291  23.083  8.2428  17.220  7.6829  5.862803       11.26807  
1 1 1 -18 43  2  o 58.490  3.1171  1861.69    196.757  1805.23    225.428  2042.24    403.145  57.543  3.6356  60.860  6.2026  -3.316158      7.189598  
1 1 1 -18 43  3  f 94.038  2.6942  4796.30    274.415  4890.34    309.221  4447.70    595.366  94.938  3.0072  90.067  6.1397  4.871262       6.836598  
1 1 1 -18 43  4  o 89.880  2.5030  4380.78    243.668  4557.49    286.314  3916.55    464.060  91.655  2.8841  84.658  5.0846  6.997299       5.845615  
1 1 1 -18 43  5  o 16.665  5.1244  151.069    101.485  153.839    108.082  130.435    295.010  16.901  5.3035  21.326  8.4977  -4.425766      10.01687  
1 1 1 -18 43  6  o 64.616  2.7251  2265.03    190.720  2203.81    213.878  2502.69    421.410  63.721  3.0989  67.470  5.8238  -3.748741      6.596935  
1 1 1 -18 43  7  o 76.105  2.7572  3142.58    227.273  3233.07    257.694  2825.74    482.177  77.174  3.0829  71.616  6.2796  5.558296       6.995584  
1 1 1 -18 43  8  f 86.433  2.7999  4054.37    262.119  3994.45    299.592  4249.96    541.272  85.762  3.2253  88.019  5.7085  -2.256477      6.556593  
1 1 1 -18 43  9  o 159.094 4.1604  13777.54   716.906  13881.78   832.488  13478.39   1410.30  159.557 4.8172  155.935 8.3810  3.621689       9.666763  
1 1 1 -18 43  10 o 132.943 3.1817  9603.05    458.130  10022.74   531.999  8398.68    901.207  135.751 3.6182  123.433 6.7668  12.31811       7.673392  
1 1 1 -18 43  11 o 10.336  2.4567  60.313     27.098   214.428    183.844  56.891     27.397   20.466  6.9485  10.043  2.5221  10.42256       7.392118  
1 1 1 -18 43  12 o 81.631  3.1623  3622.93    279.592  3734.32    325.207  3307.30    547.428  82.826  3.6251  77.218  6.6091  5.607666       7.538052  
1 1 1 -18 43  13 o 51.853  3.8145  1472.94    212.726  1437.97    248.025  1570.24    413.712  51.111  4.5272  52.743  7.4494  -1.632477      8.717192  
1 1 1 -18 43  14 o 28.225  6.2533  456.056    186.137  568.122    218.640  160.931    354.810  31.500  6.6188  23.171  9.2897  8.328491       11.40645  
1 1 1 -18 43  15 o 119.034 3.2224  7715.50    415.454  7715.81    484.596  7714.63    807.047  118.919 3.7624  117.946 6.3408  0.9726410      7.372976  
1 1 1 -18 43  16 o 20.486  7.0202  216.252    187.674  258.205    226.376  124.043    335.615  22.366  7.7078  21.973  8.9533  0.3931217      11.81401  
1 1 1 -18 43  17 f 18.238  7.0613  124.356    198.745  85.682     238.700  211.759    358.840  18.571  7.5571  23.968  9.4281  -5.396816      12.08296  
1 1 1 -18 43  18 o 109.607 3.2776  6557.33    389.100  6775.09    453.931  5954.12    755.508  111.272 3.7665  102.911 6.8167  8.361214       7.788018  
1 1 1 -18 43  19 o 84.491  3.4429  3904.42    315.071  3689.84    369.863  4472.01    601.544  81.842  4.1865  89.219  6.2647  -7.376610      7.534815  
1 1 1 -18 43  20 o 75.765  3.6323  3147.42    298.072  3277.41    352.086  2818.56    560.024  77.033  4.2362  69.969  7.5070  7.063782       8.619783  
1 1 1 -18 43  21 o 27.928  0.8880  422.751    26.862   -428.3734  250.321  432.666    27.018   12.119  5.9049  28.254  0.8829  -16.13503      5.970572  
1 1 1 -18 43  22 o 43.270  4.4127  1047.70    203.912  1511.20    349.321  808.127    251.141  51.218  6.4393  37.244  6.4600  13.97435       9.121180  
1 1 1 -18 43  23 o 54.685  4.0583  1667.84    238.658  1779.52    365.672  1584.97    314.997  55.468  6.1923  52.615  5.6141  2.852695       8.358442  
1 1 1 -18 43  24 o 85.185  3.1126  4004.95    287.181  4637.75    522.240  3730.65    343.835  89.863  5.3905  81.791  3.8813  8.072639       6.642441  
1 1 1 -18 43  25 o 59.882  5.2208  2076.07    335.227  2128.07    458.270  2016.21    491.654  58.853  7.3494  56.398  8.2967  2.455608       11.08367  
1 1 1 -18 43  26 o 37.085  8.3256  902.499    326.219  689.551    503.243  1056.83    428.424  30.616  11.376  38.596  10.123  -7.980118      15.22824  
1 1 1 -18 43  27 o 16.201  7.4311  -99.4365   295.944  291.918    466.737  -362.5692  382.714  24.075  10.238  15.960  7.6588  8.115204       12.78530  
1 1 1 -18 43  28 o 44.951  6.8837  1281.20    324.467  1187.37    456.914  1376.66    460.842  39.338  10.520  43.183  10.043  -3.845150      14.54385  
1 1 1 -18 43  29 o 16.772  7.5550  -18.8288   289.112  -205.2647  424.334  142.701    394.975  17.798  8.4035  20.799  9.1276  -3.001005      12.40691  
1 1 1 -18 44  1  o 56.145  4.5194  1725.77    272.501  2203.41    375.731  1195.74    395.803  63.336  5.5327  45.975  8.2517  17.36045       9.934880  
1 1 1 -18 44  2  o 126.801 2.9839  8724.45    409.805  8649.00    468.795  8968.90    843.866  126.212 3.4294  128.171 6.0788  -1.958527      6.979383  
1 1 1 -18 44  3  o 113.662 2.8279  7008.81    348.141  7139.63    399.003  6591.55    712.579  114.689 3.2121  109.723 6.0191  4.965912       6.822496  
1 1 1 -18 44  4  o 97.778  2.7972  5186.74    296.239  5348.25    335.140  4609.64    633.497  99.268  3.1171  91.613  6.4250  7.654831       7.141241  
1 1 1 -18 44  5  o 106.780 2.8201  6186.39    326.160  5989.95    369.988  6871.31    690.864  105.039 3.2521  112.068 5.7106  -7.029564      6.571712  
1 1 1 -18 44  6  o 187.795 3.7361  19165.49   759.937  19381.29   874.628  18500.71   1535.09  188.747 4.2783  183.467 7.7251  5.280060       8.830731  
1 1 1 -18 44  7  o 105.450 2.8960  6035.42    330.757  6115.39    378.419  5776.56    680.801  106.112 3.2926  102.582 6.1559  3.529938       6.981169  
1 1 1 -18 44  8  o 57.027  3.0200  1770.74    185.872  1765.76    211.732  1787.50    388.112  56.900  3.4519  56.764  6.4258  0.1352692      7.294312  
1 1 1 -18 44  9  o 54.246  3.9860  1610.08    232.551  1583.72    294.633  1653.63    378.735  53.615  5.1365  54.517  6.5449  -0.9011040     8.319862  
1 1 1 -18 44  10 o 134.817 3.1416  9876.58    458.747  9558.25    527.270  10868.14   930.566  132.545 3.6728  140.763 6.1036  -8.218170      7.123493  
1 1 1 -18 44  11 o 34.386  4.9264  658.928    178.236  535.109    203.446  1067.73    369.668  30.658  6.3362  43.193  8.2017  -12.53530      10.36416  
1 1 1 -18 44  12 o 27.131  6.1609  420.546    176.911  351.778    203.670  631.887    357.048  24.932  7.1631  33.125  9.4744  -8.192976      11.87744  
1 1 1 -18 44  13 o 59.644  3.6455  1944.94    234.372  1894.11    275.084  2079.55    447.666  58.738  4.3549  60.967  6.9009  -2.228878      8.160176  
1 1 1 -18 44  14 o 64.734  3.5560  2290.16    248.369  2185.81    292.957  2556.85    468.338  63.102  4.3122  67.735  6.4621  -4.633656      7.768796  
1 1 1 -18 44  15 f 79.502  3.3649  3444.21    289.745  3328.91    342.935  3731.83    541.656  77.944  4.0763  81.950  6.1473  -4.005539      7.376009  
1 1 1 -18 44  16 f 67.241  3.4356  2472.14    249.378  2501.52    293.732  2396.30    471.952  67.519  4.0350  65.309  6.7703  2.210091       7.881555  
1 1 1 -18 44  17 o 60.363  2.4471  1981.16    159.989  1513.23    292.020  2181.86    191.245  52.135  5.2425  63.309  2.7890  -11.17358      5.938223  
1 1 1 -18 44  18 o 115.408 3.3111  7272.70    413.886  7166.83    481.686  7571.40    809.062  114.387 3.8879  116.265 6.4502  -1.877838      7.531294  
1 1 1 -18 44  19 o 32.651  6.4791  617.120    221.041  484.902    260.631  955.881    417.184  28.697  8.0555  39.686  9.7708  -10.98847      12.66333  
1 1 1 -18 44  20 o 54.492  2.3789  1616.92    140.401  1437.25    298.364  1668.02    159.120  50.491  5.5473  55.309  2.6562  -4.818218      6.150475  
1 1 1 -18 44  21 o 84.312  2.6830  3879.20    245.008  3665.29    373.626  4040.59    324.527  81.382  4.2535  85.821  3.4913  -4.439674      5.502888  
1 1 1 -18 44  22 f 104.564 2.9109  5984.50    329.669  6312.27    479.422  5690.50    454.056  106.811 4.1441  101.419 4.1335  5.391380       5.853180  
1 1 1 -18 44  23 o 73.524  3.7680  3001.41    299.054  3341.73    463.683  2759.02    391.319  76.451  5.6395  69.699  5.2216  6.752159       7.685667  
1 1 1 -18 44  24 o 19.397  7.5271  174.624    226.236  -144.7626  451.531  281.679    261.417  19.947  9.1601  22.435  8.2236  -2.488058      12.31001  
1 1 1 -18 44  25 o 71.140  5.2241  2927.93    399.713  3019.84    590.867  2850.39    542.751  69.401  8.0075  67.972  7.4970  1.429260       10.96930  
1 1 1 -18 44  26 o 37.080  8.3487  904.407    327.219  1171.91    497.980  701.143    434.088  39.580  11.144  31.040  10.675  8.539038       15.43141  
1 1 1 -18 44  27 f 20.131  8.4280  163.487    308.422  233.256    480.379  114.559    402.286  23.433  10.179  20.977  9.2086  2.455847       13.72605  
1 1 1 -18 44  28 o 27.112  9.5626  534.164    349.523  232.445    480.860  872.142    508.934  23.012  10.086  32.181  11.519  -9.169680      15.31018  
1 1 1 -18 45  1  o 36.823  5.7818  757.562    222.999  598.795    302.456  946.666    330.091  32.392  8.5104  40.873  7.7398  -8.480698      11.50349  
1 1 1 -18 45  2  o 88.878  2.9183  4286.45    280.927  4180.32    329.630  4568.14    537.009  87.735  3.4688  91.366  5.4514  -3.631096      6.461500  
1 1 1 -18 45  3  f 71.343  2.6772  2761.07    206.867  2833.63    230.094  2455.15    472.475  72.261  2.9399  66.665  6.6315  5.596298       7.253964  
1 1 1 -18 45  4  o 163.228 3.2280  14465.46   570.694  13283.21   653.383  18269.63   1172.04  156.331 3.8588  182.893 5.9166  -26.56271      7.063779  
1 1 1 -18 45  5  o 99.295  2.7202  5349.49    292.545  5226.68    330.661  5791.95    627.631  98.120  3.1114  102.848 5.6560  -4.727432      6.455326  
1 1 1 -18 45  6  o 95.127  2.7137  4910.30    279.605  4785.39    317.858  5337.57    587.878  93.879  3.1260  98.725  5.5199  -4.845245      6.343644  
1 1 1 -18 45  7  o 151.949 3.3046  12542.61   543.864  12595.55   624.875  12377.23   1104.47  152.195 3.7907  150.194 6.7894  2.000732       7.775973  
1 1 1 -18 45  8  o 174.837 3.6172  16620.78   684.988  17121.24   789.156  15091.58   1379.46  177.347 4.1084  165.436 7.6986  11.91151       8.726204  
1 1 1 -18 45  9  o 118.018 3.5696  7574.94    456.285  7355.13    555.797  8029.34    799.110  116.162 4.4175  120.861 6.1245  -4.698250      7.551449  
1 1 1 -18 45  10 o 48.259  2.2750  1263.57    118.912  1425.04    222.179  1198.76    140.771  50.988  4.0567  46.901  2.7836  4.086685       4.919882  
1 1 1 -18 45  11 o 80.498  3.0802  3522.26    268.556  3483.06    308.572  3644.68    545.305  79.999  3.5612  81.191  6.2490  -1.191132      7.192551  
1 1 1 -18 45  12 o 31.545  5.6808  562.275    186.955  676.413    218.091  245.947    363.070  34.597  6.0399  24.917  9.5721  9.679214       11.31837  
1 1 1 -18 45  13 o 19.219  6.6786  184.297    170.127  221.745    196.549  72.421     339.724  20.879  7.1828  21.338  8.8819  -0.4593201     11.42278  
1 1 1 -18 45  14 o 101.452 3.1232  5601.64    343.184  5509.28    399.099  5863.73    672.297  100.518 3.6658  102.929 6.0572  -2.411003      7.080069  
1 1 1 -18 45  15 o 89.557  3.2607  4369.45    316.288  4196.92    372.674  4813.73    598.035  87.654  3.9255  93.175  5.9571  -5.521706      7.134150  
1 1 1 -18 45  16 o 49.184  4.2187  1333.81    222.560  1458.47    266.274  1044.85    405.399  51.306  4.8492  42.114  9.1493  9.191887       10.35494  
1 1 1 -18 45  17 o 62.931  2.7603  2156.08    188.144  2376.25    317.503  2036.93    233.570  65.635  4.4932  60.962  3.5528  4.673573       5.728167  
1 1 1 -18 45  18 o 37.722  5.6147  805.496    222.406  729.058    259.258  1018.50    432.785  35.453  7.0001  41.074  9.8545  -5.620697      12.08767  
1 1 1 -18 45  19 o 77.308  3.5401  3272.26    296.423  3128.19    348.479  3649.35    563.779  75.278  4.2918  80.359  6.5340  -5.080994      7.817453  
1 1 1 -18 45  20 o 41.635  1.8661  942.031    84.151   995.811    265.117  936.006    88.739   41.745  6.0390  41.493  1.9746  0.2521439      6.353661  
1 1 1 -18 45  21 o 36.763  5.7772  774.683    222.451  939.069    321.240  623.233    308.341  39.791  7.7324  32.066  8.6701  7.724396       11.61725  
1 1 1 -18 45  22 o 14.008  1.9917  108.926    29.368   350.759    349.480  107.206    29.472   25.698  9.4939  13.890  2.0180  11.80726       9.706038  
1 1 1 -18 45  23 o 41.752  5.3578  1003.58    236.703  1290.75    412.163  862.253    289.138  45.473  8.6853  37.708  7.3437  7.765087       11.37379  
1 1 1 -18 45  24 o 18.062  7.3210  118.860    222.979  787.086    445.068  -105.0729  257.646  33.529  10.790  15.367  7.0047  18.16193       12.86426  
1 1 1 -18 45  25 o 26.991  8.9873  475.204    307.564  223.425    469.300  664.760    407.202  23.979  10.233  30.876  10.342  -6.897276      14.54867  
1 1 1 -18 45  26 o 24.255  8.8356  369.282    301.098  518.788    451.435  249.475    404.116  27.657  10.661  23.126  9.6617  4.530588       14.38741  
1 1 1 -18 45  27 o 23.406  8.8323  343.869    305.674  462.641    462.369  251.656    407.406  26.263  10.578  22.799  9.6233  3.463848       14.30046  
1 1 1 -18 45  28 f 32.922  8.8263  764.978    321.163  1178.70    475.062  416.734    435.853  38.708  10.879  25.100  10.213  13.60795       14.92159  
1 1 1 -18 46  1  o 184.337 5.2672  18531.73   1051.63  19126.09   1484.17  17932.44   1490.31  186.656 7.3413  180.645 7.6169  6.011612       10.57885  
1 1 1 -18 46  2  o 67.546  4.2074  2491.32    306.282  2375.96    421.475  2620.42    445.848  65.674  5.9912  68.989  6.0273  -3.314888      8.498391  
1 1 1 -18 46  3  o 213.040 3.8513  24672.26   888.660  23784.69   1021.82  27427.59   1800.35  209.026 4.5134  223.471 7.4382  -14.44551      8.700399  
1 1 1 -18 46  4  o 141.212 3.2344  10828.57   494.694  10907.76   551.993  10505.44   1115.04  141.681 3.5971  138.075 7.4839  3.606491       8.303523  
1 1 1 -18 46  5  o 192.727 3.8158  20195.25   796.530  19803.14   915.731  21414.14   1614.53  190.715 4.4331  197.322 7.5544  -6.606506      8.759095  
1 1 1 -18 46  6  o 137.446 3.1215  10259.19   464.693  10219.09   532.705  10386.84   950.444  137.116 3.5870  137.694 6.3729  -0.5780334     7.313052  
1 1 1 -18 46  7  o 119.201 2.8803  7714.24    371.865  7837.29    427.607  7332.44    753.245  120.102 3.2872  115.569 6.0386  4.533096       6.875311  
1 1 1 -18 46  8  o 111.546 2.8913  6756.68    349.321  6541.04    397.613  7486.15    731.316  109.701 3.3464  116.939 5.7740  -7.237915      6.673626  
1 1 1 -18 46  9  o 61.369  3.9027  2058.54    258.060  2051.18    312.660  2074.29    457.070  61.121  4.7605  60.977  7.0506  0.1438026      8.507272  
1 1 1 -18 46  10 o 51.322  2.0993  1428.80    116.697  1230.69    217.254  1509.15    138.350  47.318  4.2856  52.731  2.4224  -5.413311      4.922839  
1 1 1 -18 46  11 o 67.824  3.3698  2502.63    247.549  2310.89    287.565  3051.34    486.471  64.975  4.1073  74.266  6.1018  -9.290932      7.355401  
1 1 1 -18 46  12 o 78.259  3.1332  3330.85    265.581  3195.07    306.168  3743.55    533.776  76.584  3.6911  82.285  6.0312  -5.700645      7.071024  
1 1 1 -18 46  13 o 104.751 3.0114  5968.01    341.659  6061.77    410.036  5755.07    617.927  105.475 3.5892  102.177 5.6050  3.297447       6.655703  
1 1 1 -18 46  14 o 138.106 3.4011  10392.74   508.739  10228.96   576.749  10966.96   1079.90  136.884 3.8901  140.253 7.1324  -3.368515      8.124307  
1 1 1 -18 46  15 o 53.144  4.0203  1552.30    229.702  1224.11    272.720  2353.48    426.108  46.838  5.4794  64.954  6.1292  -18.11621      8.221402  
1 1 1 -18 46  16 o 137.308 3.3338  10282.13   495.804  10312.04   577.806  10198.62   965.504  137.335 3.8845  135.380 6.5846  1.955338       7.645005  
1 1 1 -18 46  17 o 79.964  3.3309  3490.43    288.485  3423.69    340.502  3660.19    543.064  78.962  3.9943  80.864  6.2490  -1.901718      7.416533  
1 1 1 -18 46  18 o 33.771  5.8632  651.590    206.684  777.959    242.969  320.722    393.150  36.839  6.3168  26.361  10.0000 10.47759       11.82799  
1 1 1 -18 46  19 o 18.082  6.4112  162.499    157.305  231.548    234.696  106.179    211.964  21.617  7.8120  18.078  7.2031  3.539610       10.62597  
1 1 1 -18 46  20 f 35.722  5.4327  726.273    203.569  964.133    304.570  534.214    273.680  40.629  7.1840  29.899  8.2035  10.73051       10.90448  
1 1 1 -18 46  21 o 19.804  7.1150  197.254    194.352  161.957    296.132  223.961    257.590  21.250  8.4985  21.721  8.1257  -0.4701118     11.75801  
1 1 1 -18 46  22 o 66.147  2.7871  2394.98    199.680  2356.58    234.181  2497.28    382.204  65.389  3.3174  66.409  5.3594  -1.019531      6.303026  
1 1 1 -18 46  23 o 60.214  4.0904  2031.15    265.182  2112.26    418.483  1976.72    342.789  59.900  6.5574  58.648  5.4591  1.252491       8.532396  
1 1 1 -18 46  24 o 47.046  5.1198  1279.70    256.670  1412.41    481.721  1227.09    303.311  45.728  10.004  45.312  6.3550  0.4159775      11.85211  
1 1 1 -18 46  25 o 34.701  8.3068  784.484    308.060  469.673    449.379  1063.59    423.131  27.255  10.600  39.182  9.9515  -11.92730      14.53907  
1 1 1 -18 46  26 o 22.429  8.6156  288.760    294.121  720.626    432.172  -83.8441   401.427  31.218  10.653  18.946  8.6770  12.27194       13.73989  
1 1 1 -18 46  27 o 16.375  7.4392  -61.0306   287.466  290.467    423.565  -361.1896  391.412  23.467  9.8535  16.103  7.7323  7.363337       12.52517  
1 1 1 -18 46  28 o 26.851  9.0279  511.003    310.307  425.715    456.203  584.440    423.319  25.331  10.393  27.839  10.416  -2.508144      14.71462  
1 1 1 -18 47  1  o 197.614 5.5116  21323.71   1179.68  21956.00   1665.90  20687.72   1670.75  199.742 7.7003  193.781 7.9603  5.960754       11.07526  
1 1 1 -18 47  2  f 202.898 5.6070  22484.94   1232.18  22665.11   1738.53  22303.10   1746.62  202.858 7.9126  201.187 8.0155  1.670654       11.26310  
1 1 1 -18 47  3  o 108.584 2.8283  6399.23    332.630  6378.10    376.438  6474.46    710.446  108.371 3.2071  108.629 6.0625  -0.2579498     6.858522  
1 1 1 -18 47  4  o 99.073  2.8745  5327.96    308.449  5442.22    349.499  4925.48    655.963  100.100 3.2236  94.608  6.4398  5.492729       7.201604  
1 1 1 -18 47  5  o 62.010  2.8254  2087.22    189.765  2209.19    212.475  1606.41    421.867  63.783  3.0756  53.540  7.4790  10.24230       8.086758  
1 1 1 -18 47  6  o 69.873  2.7997  2650.34    211.885  2817.99    240.720  2073.61    446.466  72.031  3.0855  61.073  6.8686  10.95798       7.529818  
1 1 1 -18 47  7  o 92.481  2.8262  4643.75    283.096  4540.10    319.347  5024.08    611.758  91.408  3.2256  95.597  5.9377  -4.189026      6.757269  
1 1 1 -18 47  8  o 90.450  2.8658  4443.02    280.751  4331.09    317.754  4841.35    599.456  89.264  3.2866  93.806  5.9306  -4.541710      6.780408  
1 1 1 -18 47  9  o 45.922  4.6083  1162.18    226.117  865.724    272.509  1817.46    405.144  39.146  6.6660  57.098  6.6772  -17.95218      9.435104  
1 1 1 -18 47  10 o 163.665 4.0322  14598.72   714.765  15097.29   870.998  13570.59   1250.76  166.204 4.8384  156.636 7.3725  9.567764       8.818364  
1 1 1 -18 47  11 o 173.593 3.5809  16406.73   673.280  16078.96   776.670  17397.86   1350.57  171.686 4.1767  177.419 7.0282  -5.733200      8.175603  
1 1 1 -18 47  12 o 52.570  2.2750  1500.16    129.536  1537.57    237.277  1484.27    154.609  52.915  4.1740  52.192  2.7447  0.7229385      4.995517  
1 1 1 -18 47  13 o 121.667 3.2186  8057.91    424.142  7967.64    493.972  8311.22    827.456  120.868 3.7733  122.544 6.2551  -1.676338      7.305045  
1 1 1 -18 47  14 o 95.627  2.9014  4975.14    300.514  4764.78    374.763  5354.03    502.964  93.449  3.7026  98.834  4.6985  -5.385223      5.982084  
1 1 1 -18 47  15 o 98.113  2.9553  5240.13    314.043  5186.00    385.585  5346.80    541.248  97.472  3.6523  98.481  5.0917  -1.009094      6.266171  
1 1 1 -18 47  16 o 73.666  3.4192  2961.63    272.808  2970.99    323.410  2938.53    507.952  73.554  4.0754  72.368  6.5515  1.186272       7.715640  
1 1 1 -18 47  17 o 113.581 3.3185  7043.40    408.241  6672.84    482.560  7976.23    765.641  110.339 4.0379  119.826 5.8994  -9.487083      7.148912  
1 1 1 -18 47  18 o 58.896  3.3495  1902.02    212.781  2072.64    299.063  1727.10    302.809  61.180  4.5457  55.661  5.0787  5.518536       6.815882  
1 1 1 -18 47  19 o 44.334  2.1258  1068.95    102.077  1237.92    310.136  1048.42    108.101  46.573  6.3107  43.833  2.2849  2.739616       6.711637  
1 1 1 -18 47  20 o 30.731  6.4501  551.350    207.851  344.726    294.213  757.228    293.681  25.169  8.7806  35.672  7.8169  -10.50355      11.75598  
1 1 1 -18 47  21 o 28.719  6.6169  487.025    201.587  399.796    304.782  554.862    268.776  26.409  8.9468  30.312  8.0508  -3.902437      12.03580  
1 1 1 -18 47  22 o 21.478  7.4744  252.907    213.128  412.728    332.540  141.492    277.651  26.632  9.3325  20.200  8.1756  6.431723       12.40713  
1 1 1 -18 47  23 o 5.4899  2.4438  -11.0776   29.292   239.402    352.851  -12.8157   29.393   23.049  9.2559  5.4276  2.4297  17.62190       9.569447  
1 1 1 -18 47  24 o 24.284  8.9681  346.481    311.773  431.976    413.540  233.895    474.558  26.712  10.227  24.397  10.347  2.314911       14.54766  
1 1 1 -18 47  25 o 32.968  9.0347  733.797    332.182  131.616    443.497  1503.36    501.359  22.341  9.7414  46.448  10.241  -24.10708      14.13429  
1 1 1 -18 47  26 o 25.850  9.2558  444.539    328.633  512.266    437.067  356.442    498.479  27.328  10.501  25.380  10.675  1.948565       14.97434  
1 1 1 -18 47  27 o 30.319  8.8913  645.932    310.939  381.318    452.718  882.225    427.806  24.913  10.302  33.890  10.538  -8.976845      14.73671  
1 1 1 -18 47  28 o 23.463  8.8262  358.231    304.737  654.593    451.019  109.288    413.365  28.948  10.767  20.793  9.2219  8.154627       14.17672  
1 1 1 -18 48  1  o 78.407  4.3713  3357.98    369.748  3752.64    557.169  3047.40    494.269  82.542  6.2793  74.353  6.1939  8.188728       8.820122  
1 1 1 -18 48  2  o 47.784  5.4906  1263.24    279.001  1293.84    436.826  1242.16    362.595  47.640  8.7896  46.987  7.3669  0.6525917      11.46858  
1 1 1 -18 48  3  o 153.815 3.0011  12846.29   499.981  12621.72   573.485  13557.75   1020.76  152.396 3.4744  157.403 5.9875  -5.006165      6.922506  
1 1 1 -18 48  4  o 103.002 2.6454  5757.53    295.126  5857.51    332.166  5382.75    643.120  103.865 2.9527  98.983  6.0275  4.882584       6.711842  
1 1 1 -18 48  5  o 114.442 2.8909  7111.11    358.340  7050.79    409.517  7308.19    740.269  113.909 3.3193  115.388 5.9434  -1.479012      6.807508  
1 1 1 -18 48  6  o 59.775  2.8170  1939.99    182.378  1782.07    200.288  2706.44    441.234  57.175  3.2477  70.066  5.8683  -12.89052      6.707028  
1 1 1 -18 48  7  o 123.282 3.1124  8257.87    415.596  8613.89    474.709  7089.46    859.983  125.859 3.4823  113.256 7.0456  12.60350       7.859188  
1 1 1 -18 48  8  o 66.782  3.0306  2423.19    219.206  2376.76    245.994  2602.24    483.038  66.018  3.4523  68.485  6.5935  -2.467789      7.442575  
1 1 1 -18 48  9  o 40.527  1.5473  890.289    67.920   446.778    236.506  930.156    70.907   27.957  7.6076  41.424  1.5804  -13.46729      7.770057  
1 1 1 -18 48  10 o 20.037  6.7765  206.844    174.846  199.056    201.939  230.167    349.462  20.382  7.2600  24.356  9.3821  -3.974648      11.86298  
1 1 1 -18 48  11 o 77.581  3.1739  3273.69    266.693  3786.23    306.670  1683.23    540.213  83.407  3.3947  53.971  9.5929  29.43657       10.17578  
1 1 1 -18 48  12 o 30.266  1.4484  496.565    47.479   347.796    211.321  504.474    48.724   24.822  7.3444  30.505  1.4747  -5.683353      7.490948  
1 1 1 -18 48  13 o 94.493  3.1385  4860.30    321.216  4775.59    373.500  5100.93    629.506  93.575  3.6852  95.947  6.0891  -2.371437      7.117454  
1 1 1 -18 48  14 o 20.962  6.7848  237.923    175.789  201.049    203.814  345.030    347.366  20.396  7.2906  26.407  9.5094  -6.010273      11.98257  
1 1 1 -18 48  15 o 79.260  2.7807  3418.29    238.719  3601.12    328.050  3212.51    348.035  81.199  3.7301  76.490  4.2172  4.708687       5.630147  
1 1 1 -18 48  16 o 76.453  3.5503  3192.80    293.985  3077.74    354.623  3445.64    525.688  74.767  4.3985  78.496  6.2345  -3.729492      7.629892  
1 1 1 -18 48  17 o 41.863  4.1270  970.482    184.691  1305.87    262.367  641.031    260.034  48.375  5.0835  33.097  7.4354  15.27793       9.007085  
1 1 1 -18 48  18 o 53.819  3.7687  1595.16    218.297  1839.65    330.766  1406.48    290.562  57.341  5.3890  50.058  5.4471  7.283627       7.662387  
1 1 1 -18 48  19 o 49.675  1.9299  1341.14    103.833  895.445    323.662  1392.27    109.627  38.877  7.9545  50.606  2.0001  -11.72890      8.202107  
1 1 1 -18 48  20 o 36.720  5.3473  766.242    206.424  741.161    308.353  786.610    277.875  35.121  8.2468  36.549  7.2752  -1.427952      10.99720  
1 1 1 -18 48  21 o 28.138  6.9783  471.560    211.633  362.288    301.584  577.575    297.056  25.454  8.8894  30.762  8.5877  -5.307272      12.35997  
1 1 1 -18 48  22 o 38.877  5.5821  873.361    228.307  926.813    352.781  834.841    299.477  38.527  8.6644  37.002  7.7222  1.524918       11.60618  
1 1 1 -18 48  23 o 23.830  1.6419  310.649    42.119   11.829     377.381  314.418    42.384   20.088  8.8649  23.975  1.6421  -3.886864      9.015725  
1 1 1 -18 48  24 o 24.472  8.6402  365.425    285.419  551.700    413.477  195.874    394.479  28.829  10.376  22.683  9.5160  6.146486       14.07870  
1 1 1 -18 48  25 f 26.885  8.7948  475.896    295.011  -97.3378   427.938  995.035    407.246  19.544  8.9538  37.801  9.8481  -18.25683      13.31001  
1 1 1 -18 48  26 o 14.458  6.8221  -218.1984  278.790  -411.3188  409.495  -51.3507   380.623  16.285  7.8423  18.782  8.5430  -2.496790      11.59678  
1 1 1 -18 48  27 o 27.647  2.1437  422.421    63.691   413.309    64.435   809.946    420.224  27.332  2.1951  32.405  10.490  -5.072372      10.71758  
1 1 1 -18 49  1  o 46.316  5.6011  1189.61    275.267  948.595    435.766  1349.63    355.081  40.448  10.003  49.109  6.8632  -8.660713      12.13091  
1 1 1 -18 49  2  o 63.582  3.0150  2195.48    207.631  2537.65    490.280  2120.70    229.198  67.648  6.7828  62.373  3.4056  5.274376       7.589745  
1 1 1 -18 49  3  o 115.398 2.9517  7231.37    368.929  7502.99    422.671  6362.34    756.023  117.503 3.3211  107.486 6.5249  10.01713       7.321481  
1 1 1 -18 49  4  o 84.507  2.7385  3876.73    250.654  3959.40    280.430  3548.28    558.963  85.380  3.0325  80.154  6.4943  5.225929       7.167454  
1 1 1 -18 49  5  o 29.823  3.9935  492.662    125.755  518.712    133.931  298.625    365.523  30.587  4.1498  26.067  9.6937  4.520060       10.54462  
1 1 1 -18 49  6  o 107.911 2.8271  6323.47    330.434  6087.35    374.198  7159.48    704.113  105.829 3.2646  114.352 5.6850  -8.521942      6.555651  
1 1 1 -18 49  7  o 72.106  2.2946  2820.98    179.206  2523.51    240.515  3192.23    268.692  68.134  3.2592  76.633  3.2372  -8.499512      4.593652  
1 1 1 -18 49  8  o 38.676  3.8432  822.480    158.862  749.362    174.506  1176.31    383.880  36.796  4.4704  45.414  8.1015  -8.617607      9.253081  
1 1 1 -18 49  9  f 31.873  6.2476  577.289    207.966  584.326    252.047  562.281    368.098  31.881  7.4358  31.587  9.7671  0.2935925      12.27547  
1 1 1 -18 49  10 o 83.594  3.4167  3802.88    309.356  3636.10    370.467  4187.04    562.276  81.532  4.2095  87.079  5.9982  -5.546600      7.327971  
1 1 1 -18 49  11 o 180.226 3.8174  17706.32   745.167  17917.74   820.064  16704.92   1784.76  181.181 4.1789  171.830 9.6286  9.351013       10.49631  
1 1 1 -18 49  12 o 213.472 4.0566  24879.35   937.943  23938.09   1083.00  27704.10   1876.14  209.067 4.7827  222.879 7.7719  -13.81209      9.125552  
1 1 1 -18 49  13 o 130.646 3.2885  9297.23    465.330  9427.57    541.169  8927.50    911.467  131.431 3.8016  126.727 6.6639  4.704384       7.672018  
1 1 1 -18 49  14 o 44.864  4.3039  1111.47    206.567  1127.95    242.037  1067.28    396.352  45.038  5.0487  42.720  8.8567  2.317223       10.19463  
1 1 1 -18 49  15 o 20.837  6.8935  232.481    181.054  246.150    211.789  195.371    348.969  21.750  7.4576  23.473  9.2771  -1.723099      11.90297  
1 1 1 -18 49  16 o 62.167  3.1692  2113.27    212.686  2158.01    293.588  2063.87    308.534  62.558  4.3602  61.083  4.6995  1.474861       6.410708  
1 1 1 -18 49  17 o 109.155 2.8435  6494.16    336.172  6675.55    446.522  6256.81    510.767  110.413 3.7338  106.658 4.4214  3.754845       5.787048  
1 1 1 -18 49  18 o 103.434 3.1496  5844.86    352.853  5855.42    519.066  5835.79    481.110  102.997 4.6529  102.960 4.3142  0.3646851E-01  6.345284  
1 1 1 -18 49  19 o 27.618  6.7105  447.647    198.758  638.651    283.019  261.772    279.193  32.702  8.0456  23.087  8.4932  9.614384       11.69900  
1 1 1 -18 49  20 o 42.272  4.8584  1004.56    218.395  797.929    331.557  1162.92    290.260  36.299  8.5706  45.074  6.1025  -8.775219      10.52115  
1 1 1 -18 49  21 o 20.926  7.1661  239.089    195.554  139.986    294.044  317.683    261.855  20.666  8.3961  23.893  8.2866  -3.226742      11.79669  
1 1 1 -18 49  22 o 21.559  7.6638  254.336    224.920  180.959    332.714  316.090    305.229  21.913  8.9201  24.060  8.8758  -2.146379      12.58365  
1 1 1 -18 49  23 o 71.915  3.0035  2853.40    233.949  2859.68    294.979  2842.75    384.099  71.494  3.8232  70.439  5.0684  1.055260       6.348665  
1 1 1 -18 49  24 o 37.754  7.7214  898.573    305.095  968.934    442.393  834.757    421.317  37.068  10.527  34.479  10.409  2.589237       14.80382  
1 1 1 -18 49  25 o 29.116  8.7517  568.066    298.322  395.542    434.449  721.990    410.363  25.763  10.297  31.724  10.372  -5.960495      14.61562  
1 1 1 -18 49  26 o 16.979  7.5835  -16.0775   284.613  19.366     417.389  -46.8798   389.104  20.213  9.0936  18.968  8.6315  1.244856       12.53777  
1 1 1 -18 49  27 o 19.525  8.4004  118.971    320.960  171.453    428.074  51.585     485.060  21.869  9.5521  21.346  9.6843  0.5223293      13.60245  
1 1 1 -18 50  1  o 185.579 5.3710  18828.36   1079.57  17647.78   1519.13  20032.94   1534.48  178.714 7.8481  190.603 7.4330  -11.88983      10.80935  
1 1 1 -18 50  2  o 324.063 8.1933  58127.53   2875.82  58617.73   4063.24  57635.50   4070.81  321.889 11.655  319.033 11.781  2.856812       16.57155  
1 1 1 -18 50  3  o 130.243 2.9130  9212.34    410.922  8786.84    463.161  10785.83   890.670  127.141 3.3634  140.330 5.8600  -13.18976      6.756593  
1 1 1 -18 50  4  o 133.964 3.1023  9750.29    450.139  9928.91    514.898  9171.17    927.138  135.123 3.5182  129.011 6.6578  6.111221       7.530201  
1 1 1 -18 50  5  o 182.321 3.4841  18077.13   688.018  17860.95   789.757  18757.75   1401.34  181.101 4.0263  184.552 7.0106  -3.451111      8.084512  
1 1 1 -18 50  6  o 81.661  2.7689  3621.23    244.901  3436.18    274.094  4353.77    545.339  79.512  3.1827  88.974  5.6887  -9.462250      6.518476  
1 1 1 -18 50  7  o 122.727 2.9565  8183.49    392.997  8058.01    447.609  8605.65    821.012  121.720 3.3952  125.204 6.0542  -3.484528      6.941285  
1 1 1 -18 50  8  o 129.285 3.1430  9086.86    440.115  8958.86    499.147  9533.99    932.947  128.296 3.5921  131.585 6.5461  -3.289307      7.466850  
1 1 1 -18 50  9  o 105.986 3.5433  6114.57    406.754  5892.46    496.096  6570.15    710.494  103.898 4.4085  109.177 6.0318  -5.278519      7.471098  
1 1 1 -18 50  10 o 24.646  1.7743  331.103    47.046   482.638    191.580  321.378    48.532   29.064  6.2700  24.271  1.8603  4.792923       6.540148  
1 1 1 -18 50  11 o 27.009  6.1831  417.787    176.976  254.336    202.451  947.431    364.434  21.923  7.2912  40.416  8.5900  -18.49242      11.26715  
1 1 1 -18 50  12 o 30.907  5.7509  542.262    185.429  763.426    214.690  -107.2549  367.916  36.864  5.5490  19.569  8.6886  17.29457       10.30939  
1 1 1 -18 50  13 f 75.751  3.2538  3125.64    266.961  3228.42    309.183  2824.53    529.210  76.919  3.7112  70.961  6.9757  5.958305       7.901512  
1 1 1 -18 50  14 o 35.315  5.1414  699.704    190.885  629.542    221.631  901.266    375.653  33.163  6.4021  39.120  9.0463  -5.956936      11.08252  
1 1 1 -18 50  15 o 55.312  3.9599  1682.34    235.662  1637.71    280.243  1790.10    435.475  54.373  4.8082  56.073  7.3471  -1.699478      8.780591  
1 1 1 -18 50  16 f 76.606  2.5315  3193.13    210.041  2650.21    328.241  3569.59    273.328  69.328  4.3940  80.897  3.1195  -11.56838      5.388771  
1 1 1 -18 50  17 o 31.775  5.8096  578.063    192.573  405.600    277.329  738.651    267.610  26.681  8.5101  35.608  7.1865  -8.926718      11.13858  
1 1 1 -18 50  18 o 64.279  2.5681  2251.14    178.793  2126.07    361.377  2291.68    205.738  61.592  5.4742  64.796  2.9315  -3.204140      6.209701  
1 1 1 -18 50  19 o 95.706  3.1955  5011.02    331.240  5508.53    497.551  4615.00    443.913  99.805  4.6027  91.400  4.4841  8.404251       6.425947  
1 1 1 -18 50  20 o 116.708 3.2826  7467.51    414.949  7171.59    591.806  7753.67    581.971  113.579 4.8107  118.264 4.5434  -4.684761      6.617056  
1 1 1 -18 50  21 o 16.123  6.7082  52.066     193.670  -59.5778   296.059  135.578    256.057  17.502  7.7814  19.624  7.8832  -2.121658      11.07678  
1 1 1 -18 50  22 o 17.614  7.1086  106.932    209.260  109.844    324.747  104.864    273.648  20.482  8.6156  19.222  7.9838  1.260015       11.74610  
1 1 1 -18 50  23 o 23.608  7.8466  338.479    234.487  990.480    402.709  4.0322     288.424  38.450  9.6773  17.784  7.8022  20.66596       12.43082  
1 1 1 -18 50  24 o 19.863  8.3499  122.210    304.730  176.010    401.779  49.348     467.570  22.424  9.5157  21.963  9.7711  0.4608994      13.63900  
1 1 1 -18 50  25 o ?       ?       -184.0741  34.063   -192.2278  34.191   897.197    393.733  ?       ?       35.629  9.8657  0.000000       9.865746  
1 1 1 -18 50  26 o 31.290  8.7332  673.830    307.242  525.234    445.085  809.094    424.648  27.341  10.572  32.740  10.540  -5.399267      14.92861  
1 1 1 -18 50  27 f 30.806  8.8697  667.024    311.979  742.632    456.449  600.735    427.392  30.744  10.919  28.337  10.493  2.407152       15.14342  
1 1 1 -18 51  1  o 23.523  8.6216  250.745    287.317  20.031     387.675  531.899    427.960  21.943  9.3305  31.552  10.602  -9.609674      14.12316  
1 1 1 -18 51  2  f 83.199  3.5597  3765.06    320.779  3577.60    579.652  3847.81    385.128  80.387  6.7191  83.925  4.2507  -3.537941      7.950800  
1 1 1 -18 51  3  o 77.325  2.4142  3244.60    202.189  3227.50    257.700  3271.99    326.102  77.072  3.0871  77.428  3.9010  -0.3565445     4.974760  
1 1 1 -18 51  4  o 62.890  2.1982  2145.58    149.730  1972.23    213.530  2313.28    210.016  60.144  3.2904  65.256  2.9714  -5.112034      4.433512  
1 1 1 -18 51  5  o 75.440  2.5378  3089.25    207.358  3198.00    269.101  2930.30    325.335  76.700  3.2393  73.220  4.1191  3.479744       5.240206  
1 1 1 -18 51  6  o 105.114 3.0026  6003.80    341.846  6216.26    390.698  5309.99    706.018  106.910 3.3740  97.985  6.6926  8.925598       7.494969  
1 1 1 -18 51  7  o 24.001  5.1505  327.025    129.880  323.773    139.449  348.310    356.763  23.843  5.5104  26.828  9.6397  -2.984865      11.10355  
1 1 1 -18 51  8  o 82.059  2.9042  3659.06    258.125  3657.01    291.284  3666.60    557.049  81.998  3.2798  81.383  6.3704  0.6148605      7.165151  
1 1 1 -18 51  9  o 82.114  3.5875  3671.58    319.066  3616.21    388.962  3785.51    557.874  81.257  4.4363  82.689  6.2758  -1.431496      7.685502  
1 1 1 -18 51  10 o 86.963  3.0637  4113.08    288.573  4292.22    384.890  3883.11    436.100  88.702  4.0062  84.102  4.8075  4.600334       6.257895  
1 1 1 -18 51  11 o 122.870 3.1379  8215.90    417.601  8023.26    481.124  8804.35    840.893  121.315 3.6616  126.325 6.1458  -5.010735      7.153920  
1 1 1 -18 51  12 o 74.254  3.1838  3002.02    256.060  2970.48    293.980  3101.17    521.229  73.797  3.6780  74.571  6.5189  -0.7740326     7.484902  
1 1 1 -18 51  13 o 135.424 3.2758  9992.64    480.489  9908.50    556.188  10240.20   953.978  134.708 3.8121  135.892 6.4815  -1.184509      7.519399  
1 1 1 -18 51  14 f 54.847  3.7706  1651.08    222.631  1632.68    259.109  1703.01    435.155  54.401  4.4362  54.655  7.5527  -0.2548256     8.759182  
1 1 1 -18 51  15 o 17.494  6.4385  138.007    160.475  113.771    215.604  168.109    240.288  18.461  7.2933  20.360  7.7952  -1.899094      10.67514  
1 1 1 -18 51  16 o 33.990  1.2009  626.372    44.212   325.320    259.697  635.358    44.867   24.486  8.2588  34.233  1.2101  -9.747141      8.346956  
1 1 1 -18 51  17 o 33.944  5.4958  654.861    195.147  818.299    282.358  505.399    270.016  37.494  7.2148  29.276  8.1926  8.217684       10.91663  
1 1 1 -18 51  18 o 31.032  1.4985  522.603    50.365   245.952    337.181  528.917    50.937   23.856  9.2084  31.218  1.5064  -7.361858      9.330802  
1 1 1 -18 51  19 o 71.259  3.3444  2781.32    258.125  2523.93    383.839  2993.82    348.766  67.111  5.3243  73.505  4.4010  -6.393517      6.907783  
1 1 1 -18 51  20 o 21.864  7.1254  269.556    193.710  478.729    297.970  116.443    254.932  28.278  8.7948  19.329  7.8302  8.948376       11.77544  
1 1 1 -18 51  21 o 38.231  5.2911  838.296    213.222  890.676    316.970  795.004    288.167  38.224  7.9167  36.217  7.5890  2.006233       10.96663  
1 1 1 -18 51  22 o 26.369  7.3651  429.161    218.437  621.854    338.385  291.501    286.010  30.920  9.3269  23.092  8.5772  7.828459       12.67123  
1 1 1 -18 51  23 o 20.700  8.2185  193.599    275.024  -90.6241   398.514  452.066    380.030  19.284  8.7599  26.955  9.9100  -7.670965      13.22663  
1 1 1 -18 51  24 o 39.066  7.5697  960.470    308.726  742.839    446.743  1159.41    427.127  32.181  10.832  41.218  9.7247  -9.037357      14.55696  
1 1 1 -18 51  25 o 19.456  8.1159  136.762    284.521  96.519     412.730  173.205    392.760  21.215  9.3199  21.886  9.3510  -0.6711426     13.20230  
1 1 1 -18 51  26 o 20.062  8.2829  175.578    292.006  581.185    426.836  -181.2589  400.353  28.234  10.480  17.823  8.3351  10.41119       13.39043  
1 1 1 -18 51  27 o 18.901  8.0885  109.517    294.719  -85.7456   432.373  278.972    402.789  19.205  8.8714  23.008  9.6320  -3.802912      13.09492  
1 1 1 -18 52  1  o 93.562  4.5696  4776.77    463.074  4690.14    642.449  4870.45    668.073  92.143  6.4785  93.867  6.6134  -1.724113      9.257900  
1 1 1 -18 52  2  o 139.197 4.7686  10579.65   718.933  11447.92   1005.67  9672.13    1028.15  144.312 6.4341  132.214 7.2069  12.09761       9.661112  
1 1 1 -18 52  3  o 89.676  2.7236  4366.83    264.537  4202.09    291.126  5147.09    633.588  87.937  3.0566  96.655  6.0832  -8.718002      6.807960  
1 1 1 -18 52  4  o 88.439  2.8488  4248.47    272.883  4139.19    304.358  4696.37    616.177  87.258  3.2204  92.269  6.2017  -5.010887      6.988003  
1 1 1 -18 52  5  o 97.551  2.9662  5170.67    313.401  5374.51    356.456  4476.45    657.815  99.414  3.3104  89.887  6.8072  9.527260       7.569514  
1 1 1 -18 52  6  o 153.468 3.4604  12814.37   575.195  13525.69   661.051  10597.09   1167.11  157.578 3.8732  138.038 7.8386  19.53998       8.743295  
1 1 1 -18 52  7  o 135.924 3.2201  10046.93   474.061  10165.79   544.778  9676.19    962.148  136.639 3.6811  132.308 6.7364  4.330582       7.676510  
1 1 1 -18 52  8  o 43.683  3.8598  1047.83    180.740  991.085    202.618  1268.85    399.885  42.370  4.4833  47.138  8.1257  -4.768509      9.280492  
1 1 1 -18 52  9  o 127.910 3.7217  8915.18    515.602  8891.13    623.303  8967.31    917.613  127.554 4.5116  127.253 6.6810  0.3008652      8.061704  
1 1 1 -18 52  10 o 69.974  3.1469  2664.26    238.501  2512.65    272.134  3166.39    495.257  67.791  3.7205  75.560  6.1037  -7.768974      7.148277  
1 1 1 -18 52  11 o 16.416  6.2559  105.331    154.305  72.255     172.503  237.750    345.155  16.163  6.4783  24.293  9.3328  -8.130035      11.36084  
1 1 1 -18 52  12 f 52.186  3.7451  1493.63    210.278  1427.78    241.919  1697.13    425.281  50.887  4.4336  54.731  7.3608  -3.844112      8.592878  
1 1 1 -18 52  13 o 52.343  3.7612  1503.64    211.814  1630.89    244.474  1120.54    424.186  54.442  4.1778  43.655  9.2583  10.78745       10.15729  
1 1 1 -18 52  14 o 27.567  5.3525  432.851    154.053  385.554    211.816  485.964    224.462  25.867  7.2624  28.920  7.1953  -3.052750      10.22324  
1 1 1 -18 52  15 o 40.324  3.9313  898.486    169.517  706.393    229.092  1130.94    252.011  35.144  6.2474  44.963  5.2750  -9.819229      8.176544  
1 1 1 -18 52  16 o 19.565  6.7940  196.157    176.044  82.824     249.478  308.560    248.453  18.758  7.6899  23.890  8.0779  -5.132441      11.15294  
1 1 1 -18 52  17 o 79.330  3.2661  3440.15    280.630  3226.95    425.613  3604.12    373.263  76.131  5.1926  80.823  4.2792  -4.692482      6.728623  
1 1 1 -18 52  18 o 55.446  3.7472  1694.71    223.715  1882.55    339.218  1550.13    297.610  57.895  5.4746  52.551  5.3012  5.344246       7.620569  
1 1 1 -18 52  19 o 30.564  6.2258  543.986    199.098  685.140    287.350  413.649    276.120  33.817  7.9748  26.654  8.4905  7.163549       11.64842  
1 1 1 -18 52  20 o 57.509  3.7656  1830.65    233.257  1847.96    352.930  1817.23    310.819  56.954  5.8023  56.788  5.1080  0.1662216      7.730378  
1 1 1 -18 52  21 o 55.867  4.0821  1743.99    245.292  1599.70    370.905  1856.16    327.017  52.152  6.7228  57.026  5.3574  -4.873386      8.596351  
1 1 1 -18 52  22 o 22.428  7.9707  287.249    243.285  71.849     392.215  421.952    310.163  21.191  9.2012  26.150  9.0215  -4.958910      12.88600  
1 1 1 -18 52  23 o 21.648  8.6047  219.856    301.797  374.062    398.453  12.340     462.224  25.633  9.9776  21.644  9.6658  3.989223       13.89178  
1 1 1 -18 52  24 o 21.510  8.3810  239.047    281.353  18.332     408.255  438.696    388.284  20.450  9.1119  26.376  9.9541  -5.925411      13.49483  
1 1 1 -18 52  25 o 25.166  9.1268  410.540    320.760  580.088    426.485  189.731    486.703  28.596  10.501  23.320  10.186  5.275925       14.62903  
1 1 1 -18 52  26 f 18.806  8.0711  98.715     294.957  341.184    439.387  -100.1785  397.951  24.359  10.117  18.492  8.5312  5.866943       13.23380  
1 1 1 -18 52  27 o 15.434  7.1815  -148.5481  291.249  -194.6592  440.583  -112.7578  388.157  18.423  8.6565  18.110  8.3795  0.3131809      12.04791  
1 1 1 -18 53  1  o 75.897  4.8493  3159.94    396.554  3044.27    546.987  3288.09    575.742  74.003  6.9040  76.910  6.9878  -2.906502      9.823174  
1 1 1 -18 53  2  o 109.628 4.3556  6555.45    517.181  6758.75    746.581  6367.87    717.118  110.728 6.2507  107.488 6.1858  3.240082       8.794037  
1 1 1 -18 53  3  o 137.600 3.3923  10298.66   505.567  10197.52   605.221  10532.17   919.666  136.789 4.0850  138.467 6.1321  -1.678802      7.368207  
1 1 1 -18 53  4  o 9.3301  4.3327  -93.0123   105.158  -90.4349   108.445  -133.6117  430.405  9.5743  4.4298  21.127  9.3881  -11.55295      10.38074  
1 1 1 -18 53  5  o 56.873  3.1485  1763.79    193.188  1747.10    215.543  1831.98    435.620  56.551  3.5368  57.163  7.1954  -0.6117210     8.017645  
1 1 1 -18 53  6  f 75.777  2.9665  3120.66    243.476  3021.87    275.335  3474.95    521.431  74.525  3.4110  79.283  6.1196  -4.757858      7.006015  
1 1 1 -18 53  7  o 48.170  2.0348  1258.76    106.160  1110.75    209.790  1309.70    123.081  44.902  4.3690  49.122  2.3134  -4.220570      4.943690  
1 1 1 -18 53  8  o 90.941  3.0332  4496.92    298.764  4722.10    342.634  3782.61    610.250  93.142  3.3964  82.444  6.8974  10.69759       7.688250  
1 1 1 -18 53  9  o 80.907  3.7608  3568.49    329.566  3431.72    408.592  3823.15    557.532  79.039  4.7956  83.044  6.2443  -4.005653      7.873260  
1 1 1 -18 53  10 o 32.137  4.7942  577.716    161.768  545.387    179.769  715.324    370.882  31.047  5.5496  34.969  9.5314  -3.921490      11.02926  
1 1 1 -18 53  11 o 36.134  4.5442  725.678    173.912  670.012    194.968  942.443    384.738  34.517  5.3914  40.112  9.0685  -5.595207      10.55011  
1 1 1 -18 53  12 o 55.729  2.4336  1687.53    146.893  1790.64    254.465  1635.99    179.893  57.079  4.1443  54.736  3.0465  2.343307       5.143588  
1 1 1 -18 53  13 o 17.982  1.1750  176.003    22.759   -145.7800  181.271  181.156    22.940   12.372  5.7252  18.245  1.1670  -5.873019      5.842905  
1 1 1 -18 53  14 o 57.426  3.3163  1805.06    205.391  1850.33    277.566  1750.26    305.353  57.900  4.4604  56.146  5.0761  1.753719       6.757390  
1 1 1 -18 53  15 o 62.302  3.3237  2125.32    223.470  2054.27    326.510  2187.93    306.506  60.829  5.0001  62.925  4.5275  -2.096066      6.745257  
1 1 1 -18 53  16 o 28.233  6.0207  460.259    178.492  503.609    272.531  427.696    236.200  29.256  8.2461  27.075  7.6927  2.180992       11.27726  
1 1 1 -18 53  17 o 14.848  6.2083  30.313     167.038  298.947    253.699  -175.2565  221.930  23.627  8.1587  13.612  6.3116  10.01480       10.31504  
1 1 1 -18 53  18 o 78.154  3.2512  3341.96    275.211  3152.62    409.701  3497.64    371.510  75.208  5.0590  79.530  4.3292  -4.321594      6.658505  
1 1 1 -18 53  19 o 85.808  3.1889  4033.03    296.370  3768.48    435.969  4260.32    404.103  82.171  4.9212  87.808  4.2490  -5.636696      6.501685  
1 1 1 -18 53  20 o 44.297  4.4613  1101.41    211.136  1081.34    321.229  1116.67    280.150  42.744  7.1941  43.986  6.0398  -1.242336      9.393366  
1 1 1 -18 53  21 o 69.094  3.6593  2652.00    272.869  2981.42    421.435  2414.22    358.055  72.208  5.4283  65.137  5.1164  7.071709       7.459455  
1 1 1 -18 53  22 o 37.502  6.4236  842.807    251.531  1047.63    450.430  749.993    303.212  39.097  10.440  34.314  8.2582  4.783127       13.31155  
1 1 1 -18 53  23 o 16.551  7.4311  -57.3512   277.104  -80.5152   418.697  -39.2973   369.641  19.762  8.9779  19.141  8.5888  0.6218204      12.42457  
1 1 1 -18 53  24 o 28.539  8.8711  543.377    303.207  480.940    456.004  592.857    405.945  27.355  10.667  29.252  10.307  -1.896614      14.83270  
1 1 1 -18 53  25 o 33.170  8.7255  748.035    317.690  931.916    481.803  606.590    422.565  34.728  11.232  29.009  10.482  5.718672       15.36335  
1 1 1 -18 53  26 o 23.099  8.8271  327.591    307.746  305.166    471.279  344.263    406.341  24.170  10.283  24.160  9.8490  0.9170532E-02  14.23855  
1 1 1 -18 54  1  o 104.051 4.5189  5910.32    509.276  5473.81    708.749  6376.30    732.278  99.475  6.6160  107.490 6.3176  -8.015327      9.147822  
1 1 1 -18 54  2  o 58.646  5.4944  1900.54    344.933  1856.74    467.010  1953.12    511.660  57.414  7.7044  58.743  8.2708  -1.329430      11.30328  
1 1 1 -18 54  3  o 169.579 5.1120  15733.77   938.937  14445.54   1316.81  17066.18   1339.19  161.530 7.5266  175.816 7.0326  -14.28552      10.30082  
1 1 1 -18 54  4  o 134.797 3.0759  9877.23    449.083  9597.41    507.791  10881.83   962.135  132.794 3.5305  140.637 6.3163  -7.843018      7.236053  
1 1 1 -18 54  5  o 151.005 3.4168  12407.55   558.833  12862.52   621.998  10502.59   1272.74  153.677 3.7369  136.952 8.6243  16.72508       9.399082  
1 1 1 -18 54  6  o 98.593  2.9899  5284.06    319.278  5123.94    364.030  5817.84    664.648  97.025  3.4640  102.702 6.0012  -5.677055      6.929184  
1 1 1 -18 54  7  o 17.323  6.2965  136.571    152.789  123.074    170.495  191.619    344.315  17.449  6.5934  23.500  9.2381  -6.050999      11.34964  
1 1 1 -18 54  8  o 41.667  2.3033  945.379    103.546  1237.94    220.055  862.182    117.349  47.413  4.3330  39.738  2.7433  7.675251       5.128420  
1 1 1 -18 54  9  o 26.935  7.3718  416.374    221.324  573.721    278.954  149.041    363.606  31.456  8.1290  23.157  9.3618  8.298538       12.39855  
1 1 1 -18 54  10 o 66.239  3.3512  2395.90    239.648  2499.06    276.141  2081.13    482.352  67.577  3.7881  60.697  7.4964  6.879475       8.399100  
1 1 1 -18 54  11 o 123.088 3.1340  8249.01    417.812  8933.79    486.853  6335.13    813.918  128.008 3.5115  106.481 7.0979  21.52626       7.919055  
1 1 1 -18 54  12 o 45.538  2.0665  1125.83    101.925  1024.77    244.368  1147.12    112.146  42.818  5.3885  45.956  2.2531  -3.137318      5.840594  
1 1 1 -18 54  13 o 53.338  2.0775  1544.95    120.018  1582.14    253.511  1534.20    136.255  53.542  4.4107  53.130  2.3678  0.4122772      5.006088  
1 1 1 -18 54  14 o 69.803  2.6125  2651.35    197.513  2685.47    347.325  2635.04    240.118  69.750  4.6237  69.506  3.1896  0.2437363      5.617113  
1 1 1 -18 54  15 o 38.450  4.6553  825.220    189.923  1156.12    267.822  490.489    269.368  45.350  5.5696  28.938  8.2128  16.41272       9.923230  
1 1 1 -18 54  16 o 33.659  5.1272  640.489    181.016  634.741    268.771  645.261    244.883  32.805  7.6969  33.256  7.0191  -0.4506149     10.41680  
1 1 1 -18 54  17 o 3.4972  1.7317  -57.2905   24.495   261.467    254.937  -60.2607   24.609   22.704  8.1497  3.4496  1.7130  19.25409       8.327803  
1 1 1 -18 54  18 o 42.917  4.6178  1029.85    211.273  1165.78    307.853  908.842    290.475  45.044  6.4980  39.474  7.0529  5.570206       9.589952  
1 1 1 -18 54  19 o 40.696  4.6779  931.113    202.444  803.664    305.606  1030.77    270.242  36.575  7.9420  42.346  6.0653  -5.771191      9.993174  
1 1 1 -18 54  20 o 14.422  6.3096  -21.7179   187.458  -56.9920   271.667  10.343     258.997  16.757  7.4518  17.393  7.5144  -0.6359615     10.58281  
1 1 1 -18 54  21 o 38.579  5.6099  867.026    227.544  1037.01    356.076  749.702    295.826  40.675  8.3619  34.618  8.0432  6.056858       11.60232  
1 1 1 -18 54  22 o 20.970  8.2926  200.528    278.979  307.476    418.029  114.645    374.605  24.903  10.048  21.362  9.1297  3.541262       13.57643  
1 1 1 -18 54  23 o 22.185  8.5112  263.054    286.816  308.923    431.217  226.662    384.098  24.781  10.129  22.932  9.4862  1.848753       13.87747  
1 1 1 -18 54  24 f 34.625  8.4108  791.247    312.299  616.597    467.945  931.509    419.353  29.496  10.968  36.088  10.249  -6.592148      15.01147  
1 1 1 -18 54  25 o 24.508  8.9180  386.517    306.623  336.236    465.154  425.155    407.754  24.784  10.361  25.713  10.070  -0.9292641     14.44826  
1 1 1 -18 54  26 o 27.299  2.0847  411.189    61.174   405.647    61.637   775.471    499.744  27.106  2.1162  31.247  11.383  -4.140308      11.57792  
1 1 1 -18 55  1  o 23.004  8.5346  233.782    283.010  266.556    383.570  194.622    419.284  25.717  9.8483  25.243  10.106  0.4743176      14.11113  
1 1 1 -18 55  2  o 98.467  4.5528  5295.38    485.562  5398.33    670.433  5181.81    704.186  98.851  6.2946  96.692  6.7666  2.159164       9.241714  
1 1 1 -18 55  3  o 27.561  8.7780  418.695    295.145  326.142    390.794  541.577    450.296  26.944  10.023  31.865  10.874  -4.921120      14.78864  
1 1 1 -18 55  4  f 68.853  2.8682  2576.23    213.898  2436.71    231.848  3374.06    554.414  66.935  3.1980  77.952  6.6295  -11.01698      7.360535  
1 1 1 -18 55  5  o 49.149  3.2242  1319.59    170.687  1263.88    187.689  1586.00    410.414  48.039  3.6341  53.041  7.3408  -5.002060      8.191082  
1 1 1 -18 55  6  o 65.278  2.4967  2314.04    176.524  2517.64    249.468  2109.87    249.817  68.011  3.3866  62.117  3.7304  5.893856       5.038386  
1 1 1 -18 55  7  o 20.057  6.4846  216.194    160.611  127.520    180.454  554.188    352.308  17.859  6.7749  31.209  9.5396  -13.34998      11.70057  
1 1 1 -18 55  8  o 97.650  3.0407  5187.29    321.606  4957.28    368.671  5919.57    657.813  95.380  3.5687  103.519 5.8913  -8.138702      6.887909  
1 1 1 -18 55  9  o 161.001 4.0708  14156.04   709.862  14235.43   871.193  13999.20   1224.49  161.112 4.9925  158.744 7.1218  2.367889       8.697368  
1 1 1 -18 55  10 o 75.831  2.7363  3126.56    224.738  3227.41    309.009  3013.32    327.446  76.916  3.7092  74.153  4.0929  2.763321       5.523565  
1 1 1 -18 55  11 o 57.329  3.8362  1802.58    236.828  1715.65    278.554  2029.32    449.858  55.756  4.6552  59.995  7.0579  -4.238873      8.454885  
1 1 1 -18 55  12 o 20.152  7.2581  194.320    202.365  288.182    247.281  4.0006     352.119  23.473  8.0577  20.513  8.8113  2.960150       11.94009  
1 1 1 -18 55  13 o 83.650  3.0020  3812.20    271.985  4001.23    365.513  3577.66    407.135  85.513  3.9464  80.560  4.6863  4.952454       6.126614  
1 1 1 -18 55  14 o 45.403  4.4307  1142.71    215.104  1094.86    309.704  1187.31    298.985  43.779  6.7483  45.806  6.1845  -2.026787      9.153584  
1 1 1 -18 55  15 f 65.969  3.5430  2386.92    252.223  2088.56    379.331  2623.36    337.685  61.035  5.8082  68.892  4.5512  -7.856964      7.378918  
1 1 1 -18 55  16 o 21.159  6.8246  247.774    177.973  85.390     250.920  412.172    252.471  18.799  7.7101  26.643  8.0607  -7.843843      11.15444  
1 1 1 -18 55  17 o 26.312  1.7853  377.763    50.576   511.802    271.283  372.936    51.478   29.359  8.2104  26.137  1.8300  3.221642       8.411902  
1 1 1 -18 55  18 o 19.304  6.8124  190.455    177.410  -0.9009    270.608  334.699    234.946  17.777  7.6806  24.242  7.8436  -6.464621      10.97787  
1 1 1 -18 55  19 o 25.313  7.0683  380.217    201.217  547.209    298.477  241.098    272.432  29.962  8.6899  22.294  8.3533  7.667786       12.05370  
1 1 1 -18 55  20 o 23.733  6.9100  336.363    188.403  521.838    287.803  197.279    249.226  28.998  8.5685  20.663  7.9323  8.334665       11.67651  
1 1 1 -18 55  21 o 43.401  4.7325  1074.76    218.858  1388.99    450.465  977.663    250.397  46.421  9.2836  40.850  5.8243  5.571373       10.95938  
1 1 1 -18 55  22 o 68.075  5.4139  2676.89    395.880  2546.19    546.135  2821.60    574.673  64.070  8.0476  67.505  8.0166  -3.434906      11.35912  
1 1 1 -18 55  23 o 29.466  9.2184  579.573    326.824  526.548    446.345  640.863    479.871  28.328  10.677  30.343  11.139  -2.014763      15.42952  
1 1 1 -18 55  24 o 18.479  7.9647  67.866     289.580  -497.9555  440.714  497.759    384.147  16.550  8.0104  27.231  9.9708  -10.68118      12.78996  
1 1 1 -18 55  25 o 33.609  8.7336  772.473    320.824  1138.96    483.397  483.957    428.903  38.599  11.018  26.699  10.363  11.89972       15.12617  
1 1 1 -18 55  26 o 18.542  8.0538  72.407     300.731  320.625    462.075  -109.9918  396.102  24.302  10.253  18.378  8.4901  5.923683       13.31155  
1 1 1 -18 56  1  o 84.856  4.6651  3947.64    427.114  4093.08    592.647  3790.47    616.096  85.951  6.4123  82.529  6.9573  3.422302       9.461572  
1 1 1 -18 56  2  o 77.456  4.7895  3293.25    399.837  3011.32    547.568  3615.29    585.216  73.498  6.9614  80.649  6.7620  -7.150665      9.704967  
1 1 1 -18 56  3  o 170.073 5.1664  15845.29   951.684  15858.30   1336.26  15831.88   1355.72  169.187 7.2921  168.986 7.4071  0.2013855      10.39425  
1 1 1 -18 56  4  o 84.413  2.5477  3869.82    232.931  3922.14    289.077  3772.97    393.316  84.918  3.1430  83.004  4.3905  1.914055       5.399559  
1 1 1 -18 56  5  o 112.715 2.9954  6908.06    365.686  7143.82    417.051  6123.92    760.601  114.563 3.3611  105.076 6.7184  9.487015       7.512190  
1 1 1 -18 56  6  o 52.457  3.3725  1504.24    190.597  1602.81    213.270  1113.15    424.797  54.112  3.6604  43.711  9.2606  10.40140       9.957806  
1 1 1 -18 56  7  o 120.753 3.1005  7933.39    405.512  8265.51    466.582  6907.96    819.849  123.176 3.4973  111.493 6.8220  11.68378       7.666216  
1 1 1 -18 56  8  o 106.239 3.0840  6141.59    354.867  6198.63    407.756  5963.50    720.494  106.652 3.5299  103.670 6.4486  2.982422       7.351506  
1 1 1 -18 56  9  o 29.935  1.4211  485.797    46.075   278.720    279.520  491.581    46.714   23.859  8.5369  30.112  1.4323  -6.253553      8.656175  
1 1 1 -18 56  10 o 45.904  4.3398  1163.02    213.210  1064.74    249.447  1429.48    410.753  43.677  5.3872  49.991  7.8442  -6.314743      9.515991  
1 1 1 -18 56  11 o 158.410 3.5145  13689.34   602.995  13551.08   695.950  14105.71   1207.71  157.408 4.0821  159.083 7.0092  -1.675674      8.111217  
1 1 1 -18 56  12 o 63.930  3.1435  2227.42    217.663  2071.05    297.869  2406.58    318.846  61.280  4.5197  66.092  4.4806  -4.811493      6.364255  
1 1 1 -18 56  13 o 68.250  3.1726  2540.35    234.526  2421.82    313.334  2691.35    353.653  66.289  4.3890  69.807  4.7049  -3.518250      6.434210  
1 1 1 -18 56  14 o 17.653  6.8445  116.704    186.936  209.798    305.695  61.099     236.258  22.697  8.7659  17.952  7.4342  4.744518       11.49387  
1 1 1 -18 56  15 o 39.189  1.8362  834.016    77.938   786.647    307.051  837.278    80.577   36.518  7.9855  39.262  1.8948  -2.743694      8.207267  
1 1 1 -18 56  16 f 68.233  3.6735  2559.10    270.483  2635.44    397.942  2493.55    368.764  68.670  5.3938  66.884  5.1295  1.785179       7.443438  
1 1 1 -18 56  17 o 32.453  5.8965  605.996    199.626  649.638    293.703  568.522    272.155  32.949  8.2488  30.878  8.0537  2.070782       11.52844  
1 1 1 -18 56  18 o 40.876  4.8008  939.874    208.501  1066.22    332.757  858.204    267.531  42.532  7.4974  38.383  6.6777  4.148540       10.04005  
1 1 1 -18 56  19 o 21.215  7.2453  247.833    199.897  318.758    296.578  188.790    270.598  24.303  8.7818  21.062  8.2158  3.240852       12.02577  
1 1 1 -18 56  20 o 30.760  1.9730  517.870    65.385   866.110    333.712  503.968    66.678   37.182  8.4749  30.331  2.0415  6.851021       8.717359  
1 1 1 -18 56  21 o 44.841  2.0978  1098.38    101.887  1125.49    447.811  1096.90    104.632  40.923  10.152  44.800  2.1563  -3.877140      10.37850  
1 1 1 -18 56  22 o 21.459  8.3912  224.829    282.815  328.629    423.960  141.604    379.624  25.191  10.135  21.753  9.2411  3.437950       13.71573  
1 1 1 -18 56  23 o 37.781  6.8928  878.686    271.667  1199.87    356.323  432.803    419.833  43.576  7.8378  26.520  10.264  17.05610       12.91465  
1 1 1 -18 56  24 o 30.209  8.8634  619.690    308.920  672.256    466.241  578.554    412.446  30.295  11.001  28.703  10.359  1.591627       15.11035  
1 1 1 -18 56  25 o 36.301  8.4369  885.703    325.411  855.093    490.315  909.800    435.030  32.926  11.344  34.727  10.598  -1.801403      15.52395  
1 1 1 -18 57  1  o 29.282  1.8076  466.792    57.049   536.939    395.373  465.301    57.652   31.161  10.181  29.233  1.8301  1.928581       10.34405  
1 1 1 -18 57  2  o 33.645  8.2284  656.140    297.369  540.917    398.720  800.563    446.394  31.277  10.224  37.016  10.596  -5.738117      14.72431  
1 1 1 -18 57  3  o 23.785  8.6457  265.977    288.070  210.348    381.912  339.402    438.765  24.643  9.7161  27.945  10.573  -3.301727      14.35929  
1 1 1 -18 57  4  o 52.249  3.1995  1490.91    180.191  1462.89    192.817  1684.08    506.265  51.716  3.4623  54.131  8.9475  -2.415237      9.594045  
1 1 1 -18 57  5  o 95.443  2.9014  4952.95    299.930  4935.09    340.516  5014.73    633.471  95.215  3.3019  95.178  6.1784  0.3625488E-01  7.005327  
1 1 1 -18 57  6  o 79.593  2.9674  3445.49    255.815  3418.06    289.990  3541.74    543.170  79.225  3.3795  79.856  6.3319  -0.6310349     7.177342  
1 1 1 -18 57  7  o 46.491  3.8498  1187.09    192.111  1198.65    217.871  1146.70    407.286  46.626  4.3650  44.463  8.7689  2.162979       9.795244  
1 1 1 -18 57  8  o 45.571  3.9597  1142.12    193.497  1109.86    220.202  1251.48    405.379  44.796  4.6040  46.605  8.3369  -1.808712      9.523638  
1 1 1 -18 57  9  o 126.558 3.7220  8739.51    510.201  9039.08    628.564  8160.97    873.503  128.481 4.5169  121.120 6.6844  7.361168       8.067464  
1 1 1 -18 57  10 o 110.430 3.1866  6642.84    381.142  6492.05    440.211  7094.35    761.734  109.053 3.7270  113.028 6.2465  -3.975632      7.273829  
1 1 1 -18 57  11 o 33.164  5.7129  623.872    197.803  824.815    231.289  76.701     381.663  38.235  5.7641  22.333  9.3642  15.90188       10.99608  
1 1 1 -18 57  12 o 91.075  2.9143  4517.50    287.478  4500.37    384.759  4539.16    432.533  90.696  3.9168  90.968  4.3899  -0.2719879     5.883246  
1 1 1 -18 57  13 o 94.075  3.1361  4827.08    319.548  5471.90    453.578  4191.66    450.259  99.882  4.1927  87.128  4.7896  12.75423       6.365482  
1 1 1 -18 57  14 o 27.763  6.6318  448.275    196.685  298.822    315.766  543.020    251.414  24.698  9.0404  30.403  7.6432  -5.704905      11.83841  
1 1 1 -18 57  15 o 84.332  3.3028  3887.62    301.674  3959.99    452.108  3829.54    405.027  84.484  4.9626  83.250  4.5087  1.233620       6.704894  
1 1 1 -18 57  16 o 19.825  7.0997  194.896    193.367  104.985    298.241  260.104    253.984  20.428  8.3951  22.661  8.1345  -2.233355      11.68964  
1 1 1 -18 57  17 o 36.354  5.6389  754.430    214.839  986.484    337.633  596.550    278.493  40.805  7.9252  31.562  8.1046  9.242262       11.33547  
1 1 1 -18 57  18 o 56.705  4.1801  1786.47    254.919  1661.89    373.206  1895.44    349.027  53.709  6.5512  57.834  5.6439  -4.124088      8.647077  
1 1 1 -18 57  19 o 42.207  2.0353  970.626    93.041   1051.65    326.638  963.472    97.062   41.893  7.4728  41.984  2.1416  -0.9115601E-01 7.773591  
1 1 1 -18 57  20 o 24.840  1.5775  337.005    42.223   766.219    308.257  328.798    42.625   34.906  8.2787  24.530  1.6133  10.37626       8.434481  
1 1 1 -18 57  21 o 38.038  8.4241  919.748    337.915  900.083    436.775  949.068    533.322  36.229  10.513  36.320  11.822  -0.9051895E-01 15.82074  
1 1 1 -18 57  22 o 25.886  9.2934  415.827    331.521  126.322    424.890  866.353    530.039  22.274  9.6239  34.349  11.797  -12.07515      15.22430  
1 1 1 -18 57  23 o 16.386  7.6013  -167.8474  322.387  -336.2262  409.682  105.994    522.460  17.071  8.1179  23.243  10.335  -6.171694      13.14210  
1 1 1 -18 57  24 o 36.420  9.2522  914.119    365.693  1155.24    475.707  565.762    571.782  39.488  10.808  28.621  11.677  10.86764       15.91092  
1 1 1 -18 57  25 o 22.519  8.8534  287.814    316.266  188.086    455.353  380.760    439.598  22.721  9.8898  25.132  10.244  -2.410860      14.23925  
1 1 1 -18 58  1  o 42.436  6.9787  1022.20    309.603  1016.51    423.353  1028.74    453.933  41.640  9.5854  41.775  10.136  -0.1348572     13.95040  
1 1 1 -18 58  2  o 18.954  7.9605  38.920     276.537  -4.0878    369.288  93.825     417.256  20.987  9.0196  23.597  9.8346  -2.610531      13.34434  
1 1 1 -18 58  3  o 19.050  8.0168  35.864     281.385  60.124     372.653  3.6850     429.187  21.997  9.2398  22.659  9.7304  -0.6611214     13.41846  
1 1 1 -18 58  4  o 35.841  3.7917  708.167    144.956  688.117    152.615  893.018    463.392  35.276  4.0690  38.900  10.675  -3.623505      11.42439  
1 1 1 -18 58  5  o 90.376  2.8902  4441.54    282.917  4354.38    317.170  4780.98    625.881  89.433  3.2743  92.868  6.2588  -3.435280      7.063591  
1 1 1 -18 58  6  o 33.069  1.0663  592.576    38.192   576.025    53.097   610.316    54.974   32.595  1.5040  33.551  1.5128  -0.9559555     2.133195  
1 1 1 -18 58  7  o 28.234  5.7754  454.581    170.663  416.896    192.576  592.474    368.376  26.917  6.6454  32.101  9.7423  -5.183657      11.79294  
1 1 1 -18 58  8  o 31.117  1.1629  524.763    39.194   176.228    202.511  538.326    39.950   19.710  7.2360  31.517  1.1703  -11.80639      7.330072  
1 1 1 -18 58  9  o 27.506  7.4796  436.650    228.707  344.293    291.210  585.307    369.459  25.549  8.7449  31.874  9.7734  -6.325706      13.11462  
1 1 1 -18 58  10 o 119.266 3.1925  7750.82    412.405  7684.73    476.010  7949.75    825.821  118.631 3.7047  119.526 6.4023  -0.8953400     7.396873  
1 1 1 -18 58  11 o 88.913  3.2613  4310.73    314.070  4451.02    366.625  3923.92    608.787  90.249  3.7507  83.638  6.7787  6.611328       7.747131  
1 1 1 -18 58  12 o 50.119  3.6202  1379.75    195.197  1312.29    257.098  1471.54    299.924  48.570  4.9566  51.317  5.4809  -2.746544      7.389742  
1 1 1 -18 58  13 f 55.922  3.8579  1720.35    232.243  1518.16    337.164  1902.90    320.363  51.896  6.1159  58.497  5.1075  -6.601715      7.968142  
1 1 1 -18 58  14 o 62.578  3.6388  2150.68    245.565  2487.96    351.931  1830.64    342.812  66.962  4.8862  57.157  5.6098  9.804516       7.439419  
1 1 1 -18 58  15 o 82.971  3.2556  3763.04    292.571  3656.44    428.062  3856.49    400.798  81.179  4.8913  83.550  4.4450  -2.370995      6.609337  
1 1 1 -18 58  16 o 13.657  6.1228  -74.2065   187.417  -257.9889  290.904  56.205     245.050  15.175  7.0996  18.038  7.5288  -2.862693      10.34823  
1 1 1 -18 58  17 o 46.289  4.8053  1201.02    237.404  1188.78    352.581  1211.17    321.103  45.011  7.4959  45.796  6.6694  -0.7855072     10.03342  
1 1 1 -18 58  18 o 26.362  7.2744  414.822    214.485  711.591    342.693  223.704    275.009  33.876  9.1322  21.947  8.3545  11.92886       12.37721  
1 1 1 -18 58  19 o 101.021 3.2425  5618.91    354.782  5725.18    565.036  5549.74    455.842  100.563 5.2055  99.834  4.2157  0.7287750      6.698409  
1 1 1 -18 58  20 o 43.355  5.5178  1090.10    253.230  1042.01    441.974  1113.61    308.973  39.410  10.256  43.094  6.8488  -3.683613      12.33220  
1 1 1 -18 58  21 o 45.092  6.9799  1229.16    329.884  1356.41    454.349  1087.29    479.740  45.489  9.5269  39.517  10.869  5.972130       14.45328  
1 1 1 -18 58  22 o 49.560  6.6247  1478.55    346.705  1403.19    478.435  1561.88    503.126  45.510  9.9808  48.091  9.9859  -2.580662      14.11864  
1 1 1 -18 58  23 o 40.219  8.0840  1041.82    339.935  894.573    470.491  1202.63    491.690  34.727  11.085  40.582  10.938  -5.854771      15.57336  
1 1 1 -18 58  24 o 19.080  8.2715  75.908     315.976  -41.9940   435.687  206.727    458.934  20.022  9.1199  23.146  10.001  -3.123873      13.53516  
1 1 1 -18 58  25 o 25.931  9.3047  453.267    332.283  412.397    463.027  496.666    477.129  25.740  10.506  27.037  10.796  -1.297081      15.06413  
1 1 1 -18 59  1  o 20.404  1.4271  226.795    31.340   20.305     380.919  228.203    31.447   21.626  9.2236  20.468  1.4275  1.158409       9.333408  
1 1 1 -18 59  2  o 56.418  5.6477  1767.50    340.477  1530.21    463.435  2045.79    501.872  51.608  8.5931  60.076  7.9050  -8.467899      11.67607  
1 1 1 -18 59  3  o 20.086  8.1954  94.423     281.673  249.842    374.058  -109.1244  428.076  25.126  9.6988  21.239  9.4038  3.887489       13.50917  
1 1 1 -18 59  4  o 99.626  2.8421  5396.82    306.674  5252.10    340.953  6009.92    701.774  98.228  3.2047  104.157 6.2496  -5.928764      7.023385  
1 1 1 -18 59  5  f 62.510  2.2936  2121.76    155.287  2050.67    162.290  2892.52    534.394  61.443  2.4387  71.896  6.9492  -10.45325      7.364673  
1 1 1 -18 59  6  o 63.254  3.1304  2177.91    214.468  2093.89    241.782  2488.02    464.509  61.865  3.6242  66.751  6.5076  -4.886326      7.448743  
1 1 1 -18 59  7  o 94.673  2.7640  4874.00    283.419  4574.26    346.326  5481.77    493.155  91.604  3.4906  100.051 4.5508  -8.447212      5.735362  
1 1 1 -18 59  8  o 105.403 3.0788  6048.65    351.484  6229.75    404.174  5486.72    711.943  106.888 3.4911  99.216  6.6638  7.672607       7.522921  
1 1 1 -18 59  9  o 49.141  4.8360  1338.19    254.058  1453.71    317.872  1133.90    422.724  50.976  5.8641  43.934  9.1794  7.041763       10.89260  
1 1 1 -18 59  10 o 124.104 3.2115  8395.33    431.689  8531.18    498.248  7986.32    864.545  124.977 3.6808  119.578 6.7022  5.398918       7.646442  
1 1 1 -18 59  11 o 68.450  2.4099  2547.44    178.670  2475.98    291.334  2590.51    226.204  67.132  4.0253  68.948  3.0290  -1.816658      5.037706  
1 1 1 -18 59  12 o 23.884  1.7040  311.144    43.792   100.640    271.842  316.753    44.372   19.775  8.0578  24.099  1.7111  -4.324123      8.237468  
1 1 1 -18 59  13 o 48.004  2.5432  1257.67    131.758  1757.48    323.558  1158.31    144.261  56.095  5.3919  46.006  2.9101  10.08836       6.127115  
1 1 1 -18 59  14 o 28.179  6.5411  462.421    195.797  558.610    278.216  368.033    275.599  30.706  8.2077  25.684  8.5053  5.021685       11.81976  
1 1 1 -18 59  15 o 86.001  3.2924  4044.44    306.685  4267.74    439.523  3832.55    428.137  87.812  4.6377  83.149  4.7740  4.663666       6.655747  
1 1 1 -18 59  16 o 68.067  2.8730  2529.64    211.807  3263.70    442.295  2311.21    241.270  76.369  5.3816  64.859  3.4469  11.51009       6.390862  
1 1 1 -18 59  17 o 65.598  3.8203  2376.79    270.256  2621.76    398.396  2167.97    367.830  68.243  5.4350  61.975  5.5380  6.268108       7.759446  
1 1 1 -18 59  18 o 82.502  3.5231  3749.86    314.819  4078.93    489.254  3517.34    411.274  84.965  5.3437  79.188  4.8181  5.776543       7.195076  
1 1 1 -18 59  19 f 26.702  7.4428  436.338    223.311  662.601    360.409  295.345    284.504  32.040  9.6169  23.327  8.5748  8.713402       12.88450  
1 1 1 -18 59  20 o 20.551  7.8847  204.242    246.154  214.507    433.360  199.353    299.087  23.930  10.002  21.423  8.5499  2.506477       13.15831  
1 1 1 -18 59  21 o 25.211  9.2550  377.082    331.278  123.596    470.132  627.075    466.882  23.134  10.059  30.540  11.021  -7.406328      14.92144  
1 1 1 -18 59  22 o 49.103  7.3404  1487.21    378.404  1609.50    541.438  1370.44    529.065  47.998  10.689  43.665  11.148  4.332855       15.44474  
1 1 1 -18 59  23 o 15.613  7.3585  -241.6344  322.660  -153.1637  449.408  -335.7574  463.541  19.408  8.9930  18.209  8.6520  1.199272       12.47919  
1 1 1 -18 59  24 o 26.410  9.8189  468.755    374.981  619.804    491.585  258.563    579.894  29.111  11.149  24.978  11.008  4.133202       15.66732  
1 1 1 -18 59  25 o 39.519  8.7070  1054.46    362.628  824.605    521.796  1269.18    504.319  32.202  11.646  40.793  11.113  -8.590691      16.09761  
1 1 1 -18 60  1  o 98.693  4.5619  5331.21    487.647  5269.58    678.990  5396.85    700.801  97.401  6.4731  98.524  6.6055  -1.122978      9.248399  
1 1 1 -18 60  2  o 61.255  5.3674  2076.93    352.506  1981.73    481.684  2186.71    517.252  59.152  7.7009  62.124  7.8633  -2.972031      11.00618  
1 1 1 -18 60  3  o 62.114  4.8672  2127.29    324.830  2198.28    486.357  2070.12    436.444  62.465  7.3278  60.775  6.7441  1.690765       9.958886  
1 1 1 -18 60  4  o 61.092  2.9618  2030.41    195.982  1936.43    211.214  2612.36    525.606  59.541  3.2879  68.184  7.2274  -8.643028      7.940121  
1 1 1 -18 60  5  o 78.970  2.5397  3388.82    217.229  3403.19    232.964  3293.13    601.277  79.118  2.7186  76.574  7.3397  2.543877       7.826993  
1 1 1 -18 60  6  o 80.583  2.9707  3533.53    259.282  3491.99    293.582  3680.77    552.773  80.051  3.3860  81.334  6.3246  -1.282379      7.173984  
1 1 1 -18 60  7  o 49.671  3.6219  1353.04    193.515  1454.28    218.172  979.530    419.046  51.448  3.9453  40.707  9.6511  10.74073       10.42640  
1 1 1 -18 60  8  o 107.211 3.0878  6259.81    358.551  6359.21    412.402  5951.99    725.707  107.966 3.5266  103.356 6.5161  4.610703       7.409208  
1 1 1 -18 60  9  o 70.686  3.8539  2738.79    293.938  2435.79    387.866  3147.59    450.516  66.242  5.4545  75.321  5.5617  -9.079102      7.789974  
1 1 1 -18 60  10 o 45.876  2.3569  1146.94    116.717  1393.91    236.822  1067.71    134.139  50.228  4.3975  44.198  2.8168  6.029999       5.222265  
1 1 1 -18 60  11 o 31.306  5.1620  554.167    168.932  685.654    221.336  370.690    261.457  34.652  6.1212  25.734  8.2688  8.917957       10.28802  
1 1 1 -18 60  12 o 21.389  6.7616  254.060    175.376  296.667    240.189  205.406    256.668  23.495  7.9425  21.548  8.1013  1.946384       11.34522  
1 1 1 -18 60  13 o 47.280  1.9884  1214.50    101.823  1134.94    284.615  1226.17    109.040  44.758  6.0241  47.497  2.1196  -2.738838      6.386085  
1 1 1 -18 60  14 o 17.139  1.4692  160.552    27.011   508.156    296.138  157.636    27.124   29.365  8.6955  16.980  1.4899  12.38487       8.822231  
1 1 1 -18 60  15 o 18.330  7.0912  131.407    200.307  160.635    294.795  106.339    273.011  21.360  8.4998  19.786  8.0702  1.573683       11.72069  
1 1 1 -18 60  16 o 20.011  7.4511  185.976    216.096  -36.5640   337.995  339.833    281.038  19.231  8.4414  24.873  8.5871  -5.642212      12.04144  
1 1 1 -18 60  17 o 18.463  7.1396  139.645    202.980  226.680    319.494  80.739     262.842  22.890  8.9276  18.850  7.8266  4.039751       11.87257  
1 1 1 -18 60  18 o 52.649  2.8253  1523.35    160.521  2293.78    429.740  1398.42    173.046  62.911  6.3957  50.336  3.1906  12.57575       7.147364  
1 1 1 -18 60  19 o 92.941  3.8757  4804.35    390.152  5336.50    736.436  4596.72    460.012  94.710  7.2338  90.229  4.7235  4.481331       8.639403  
1 1 1 -18 60  20 o 26.946  9.0050  454.498    308.715  574.816    450.470  347.946    423.917  29.813  10.815  25.756  10.210  4.057493       14.87359  
1 1 1 -18 60  21 o 35.069  9.0827  811.032    347.745  799.760    498.272  821.736    485.545  33.459  11.439  33.936  11.292  -0.4761620     16.07339  
1 1 1 -18 60  22 o 40.965  8.5426  1091.23    366.753  912.042    527.274  1259.18    510.469  34.778  11.768  41.646  11.111  -6.868401      16.18446  
1 1 1 -18 60  23 o 40.295  8.7758  1081.22    372.165  1059.35    535.698  1101.61    517.420  36.809  11.837  37.878  11.557  -1.069302      16.54346  
1 1 1 -18 60  24 o 22.072  9.1401  227.051    357.122  345.571    517.598  119.370    493.365  25.426  10.796  22.587  10.043  2.839096       14.74511  
1 1 1 -18 61  1  o 55.088  2.6094  1649.40    155.690  1438.31    460.895  1676.59    165.414  49.841  8.8626  55.529  2.7503  -5.687801      9.279531  
1 1 1 -18 61  2  o 134.180 4.7035  9865.31    683.559  9328.94    956.304  10425.65   977.440  129.473 6.8437  137.174 6.5788  -7.701065      9.492986  
1 1 1 -18 61  3  o 100.845 4.5857  5569.39    500.872  6163.55    694.513  4925.44    723.026  105.470 6.1058  93.835  7.1683  11.63487       9.416258  
1 1 1 -18 61  4  f 82.174  2.3394  3667.69    208.217  3387.27    265.764  4113.39    335.058  78.881  3.1107  86.855  3.5617  -7.974335      4.728826  
1 1 1 -18 61  5  o 87.724  2.6662  4183.86    253.326  4249.94    275.569  3823.33    643.624  88.385  2.8786  82.533  7.2744  5.852028       7.823260  
1 1 1 -18 61  6  o 80.470  2.9964  3524.82    261.158  3364.91    296.947  4070.82    548.716  78.552  3.4902  85.642  5.9525  -7.089821      6.900248  
1 1 1 -18 61  7  o 99.569  3.0274  5398.10    326.489  5404.26    374.072  5378.40    668.927  99.541  3.4696  98.312  6.3155  1.229187       7.205787  
1 1 1 -18 61  8  o 77.201  3.1488  3247.42    263.289  3339.21    301.679  2954.06    539.330  78.217  3.5610  72.476  6.9559  5.740959       7.814452  
1 1 1 -18 61  9  o 39.563  5.8683  884.125    243.842  940.327    309.646  792.376    395.633  40.396  7.3478  36.481  9.8030  3.915512       12.25107  
1 1 1 -18 61  10 o 91.658  3.1506  4581.01    312.774  4424.24    360.593  5057.32    628.525  89.960  3.7008  95.224  6.1266  -5.264229      7.157592  
1 1 1 -18 61  11 o 58.494  3.1958  1872.21    201.706  1884.65    261.787  1854.04    316.431  58.481  4.1601  57.749  5.1118  0.7321320      6.590652  
1 1 1 -18 61  12 o 107.965 3.1309  6361.22    366.122  6143.74    518.492  6577.49    517.061  105.663 4.5305  109.392 4.3640  -3.728935      6.290485  
1 1 1 -18 61  13 o 94.426  3.1840  4869.75    325.635  5086.38    466.019  4663.06    455.208  96.107  4.4769  91.989  4.5688  4.117737       6.396624  
1 1 1 -18 61  14 o 82.985  2.8985  3757.11    260.524  4151.12    433.214  3533.89    326.076  86.617  4.6346  80.283  3.7499  6.333237       5.961627  
1 1 1 -18 61  15 o 25.803  7.2667  390.271    211.727  384.180    317.027  395.176    284.467  26.390  9.1198  26.331  8.6373  0.5853844E-01  12.56084  
1 1 1 -18 61  16 o 24.985  7.2573  366.669    208.036  464.035    334.632  305.331    265.600  28.205  9.3736  23.791  8.3403  4.414034       12.54691  
1 1 1 -18 61  17 o 71.413  3.7794  2822.19    291.285  3318.92    438.156  2428.78    389.928  76.685  5.3080  65.420  5.5556  11.26419       7.683696  
1 1 1 -18 61  18 o 56.786  2.8591  1773.85    175.288  2362.11    436.302  1660.62    191.415  63.692  6.4118  54.819  3.2382  8.872814       7.183136  
1 1 1 -18 61  19 o 20.565  7.8855  203.288    246.117  251.548    428.775  179.575    300.563  24.462  10.061  21.130  8.5222  3.332136       13.18532  
1 1 1 -18 61  20 o 20.986  8.5068  177.108    301.102  366.881    440.198  10.248     412.769  26.168  10.395  20.847  9.2320  5.320839       13.90267  
1 1 1 -18 61  21 o 40.201  9.0655  1060.26    385.313  945.923    608.357  1136.85    497.916  35.301  12.598  39.892  11.112  -4.590736      16.79829  
1 1 1 -18 61  22 o 51.360  7.0773  1620.89    383.239  1707.82    547.249  1537.21    536.865  49.368  10.554  46.392  10.874  2.975552       15.15370  
1 1 1 -18 61  23 o 38.526  9.0634  1007.01    371.877  1057.73    533.590  959.097    518.559  36.678  11.816  35.063  11.669  1.614407       16.60669  
1 1 1 -18 61  24 o 33.294  10.252  810.985    406.053  252.471    537.831  1551.34    619.226  24.538  10.713  43.672  12.472  -19.13450      16.44125  
1 1 1 -18 62  1  f 23.420  1.2105  298.078    30.601   300.460    30.684   -141.2762  416.753  23.514  1.2089  20.507  9.1666  3.006830       9.245940  
1 1 1 -18 62  2  o 106.184 4.5665  6177.28    525.189  6194.69    730.075  6158.62    756.066  105.561 6.4159  105.141 6.6738  0.4199371      9.257605  
1 1 1 -18 62  3  o 55.818  5.7183  1735.21    340.832  1456.54    461.912  2068.28    504.980  50.124  8.8310  60.281  7.9265  -10.15775      11.86656  
1 1 1 -18 62  4  o 56.166  3.0537  1722.47    185.067  1707.79    198.459  1820.42    512.493  55.888  3.2931  56.205  8.6996  -0.3175011     9.302061  
1 1 1 -18 62  5  o 26.016  1.0683  366.778    30.103   -204.4115  143.882  392.926    30.784   9.8027  4.7019  26.927  1.0555  -17.12470      4.818945  
1 1 1 -18 62  6  o 86.821  2.9795  4103.88    280.178  4103.10    318.929  4106.52    586.449  86.745  3.3945  85.830  6.3535  0.9144669      7.203510  
1 1 1 -18 62  7  o 15.516  6.1806  71.479     156.021  112.331    174.608  -90.3394   347.512  17.217  6.6319  19.108  8.4658  -1.890379      10.75419  
1 1 1 -18 62  8  o 19.898  6.5558  212.053    163.814  169.441    184.321  372.221    357.356  19.033  6.9161  27.013  9.6539  -7.980162      11.87563  
1 1 1 -18 62  9  o 52.462  4.7490  1525.25    266.921  1426.60    337.223  1690.72    436.760  50.278  6.3331  54.339  7.6314  -4.061092      9.916948  
1 1 1 -18 62  10 o 84.390  2.8130  3878.66    257.117  3992.60    337.480  3721.02    396.953  85.457  3.6461  82.187  4.4762  3.270439       5.773226  
1 1 1 -18 62  11 o 64.675  3.3432  2290.49    233.391  2253.03    314.752  2336.24    347.856  63.834  4.5829  64.887  4.9878  -1.052765      6.773573  
1 1 1 -18 62  12 o 81.942  3.1167  3665.14    276.615  3711.98    396.906  3620.90    385.719  82.002  4.4858  81.012  4.4126  0.9905701      6.292324  
1 1 1 -18 62  13 o 38.660  5.0748  840.390    207.362  870.886    299.578  812.340    287.314  38.622  7.4313  37.289  7.3752  1.333046       10.46981  
1 1 1 -18 62  14 o 56.842  3.7097  1779.16    227.141  1901.33    328.196  1666.84    314.683  58.299  5.2540  54.507  5.4014  3.791889       7.535257  
1 1 1 -18 62  15 o 77.656  3.3920  3304.84    285.297  3106.72    425.161  3467.12    384.793  74.489  5.3045  79.061  4.5123  -4.572884      6.964044  
1 1 1 -18 62  16 o 24.030  7.5031  335.474    216.628  556.827    329.262  166.530    287.654  30.256  9.2169  21.100  8.3963  9.155565       12.46791  
1 1 1 -18 62  17 o 40.714  5.3620  948.968    230.697  969.075    334.778  930.786    318.350  39.915  8.0221  39.228  7.7676  0.6870537      11.16645  
1 1 1 -18 62  18 o 49.700  4.5753  1396.57    243.527  1445.57    377.333  1361.59    318.815  49.046  7.3279  48.216  6.2520  0.8290443      9.632560  
1 1 1 -18 62  19 o 18.189  7.8839  24.509     286.968  259.949    411.901  -197.5530  400.027  24.313  9.9142  18.439  8.5230  5.873779       13.07411  
1 1 1 -18 62  20 f 35.320  8.4312  798.722    318.071  1052.94    459.047  563.963    441.127  39.062  10.586  29.418  10.698  9.643318       15.05021  
1 1 1 -18 62  21 o 19.647  8.6356  30.534     354.762  39.582     461.122  17.411     555.328  21.826  9.7071  23.139  10.442  -1.313124      14.25718  
1 1 1 -18 62  22 o 52.703  7.5659  1737.53    419.499  2319.01    559.020  988.000    634.677  59.490  8.9533  34.961  12.814  24.52957       15.63190  
1 1 1 -18 62  23 o 19.098  8.4401  32.371     343.266  68.913     492.547  -2.1383    478.655  22.147  9.9277  21.220  9.6244  0.9266510      13.82709  
1 1 1 -18 62  24 o 31.473  9.7913  706.632    369.288  374.690    535.157  1008.38    510.239  25.940  10.993  35.852  11.555  -9.912535      15.94874  
1 1 1 -18 63  1  f 100.438 3.8896  5511.80    423.131  5374.71    638.447  5619.17    565.048  98.405  6.0191  100.939 5.1859  -2.534386      7.945008  
1 1 1 -18 63  2  o 30.966  8.5663  558.637    296.995  901.726    401.540  144.242    441.298  39.030  9.5717  24.730  10.193  14.29919       13.98291  
1 1 1 -18 63  3  o 45.414  6.6978  1168.86    319.561  1062.47    431.435  1298.16    475.649  42.381  9.6190  46.921  9.6807  -4.539753      13.64703  
1 1 1 -18 63  4  o 33.976  3.8823  638.753    140.300  658.180    147.231  446.867    462.715  34.469  4.0191  29.944  10.946  4.525637       11.66074  
1 1 1 -18 63  5  o 102.748 2.9608  5747.81    329.496  5590.10    368.547  6375.94    735.505  101.251 3.3606  107.013 6.3746  -5.761810      7.206182  
1 1 1 -18 63  6  o 75.846  3.0939  3134.06    254.162  3192.47    284.448  2902.74    566.046  76.497  3.4331  71.652  7.4004  4.845184       8.157928  
1 1 1 -18 63  7  o 40.874  4.2439  924.883    185.143  914.604    209.379  961.734    396.437  40.506  4.8701  40.286  9.2771  0.2197342      10.47766  
1 1 1 -18 63  8  o 30.084  5.5892  515.623    175.415  537.856    198.529  436.473    374.589  30.598  6.2028  28.523  9.9101  2.075409       11.69118  
1 1 1 -18 63  9  o 61.905  4.3421  2112.91    289.291  2100.75    364.159  2133.70    476.291  61.387  5.5366  61.232  7.3271  0.1552582      9.183714  
1 1 1 -18 63  10 o 57.819  3.2889  1830.79    205.109  1714.47    274.109  1978.79    309.185  55.650  4.5886  59.748  4.8188  -4.098202      6.653995  
1 1 1 -18 63  11 o 61.321  3.3951  2061.17    224.613  2434.84    310.096  1648.73    325.786  66.422  4.3341  54.228  5.6288  12.19478       7.104070  
1 1 1 -18 63  12 o 61.831  3.5507  2098.92    236.792  2048.53    332.383  2150.85    337.422  60.644  5.1079  62.167  5.0550  -1.523319      7.186325  
1 1 1 -18 63  13 o 38.125  4.8832  815.824    197.007  832.732    268.833  796.211    289.539  37.943  6.7910  36.846  7.5099  1.096508       10.12502  
1 1 1 -18 63  14 o 27.993  6.6412  459.261    198.321  645.884    277.435  264.246    283.604  32.936  7.8823  23.225  8.5576  9.710943       11.63456  
1 1 1 -18 63  15 o 36.054  1.6537  706.081    64.578   648.719    328.319  708.390    65.864   32.623  8.9993  36.111  1.6840  -3.487843      9.155510  
1 1 1 -18 63  16 o 39.528  5.7394  898.532    238.539  896.282    372.730  900.093    310.438  37.958  9.1691  38.739  7.6701  -0.7812424     11.95416  
1 1 1 -18 63  17 o 78.268  2.8872  3361.14    244.753  3223.03    433.674  3425.68    296.483  75.299  5.3523  78.788  3.4743  -3.488739      6.381104  
1 1 1 -18 63  18 o 44.870  5.5264  1164.08    262.901  1297.74    429.530  1084.01    332.448  45.172  9.0938  42.171  7.5560  3.001266       11.82330  
1 1 1 -18 63  19 o 18.149  7.8370  32.879     281.422  109.872    398.048  -44.0685   397.933  21.882  9.3831  19.970  8.9398  1.911699       12.96003  
1 1 1 -18 63  20 o 24.884  8.9227  371.518    305.515  236.870    440.956  495.827    423.687  24.123  10.087  28.059  10.436  -3.936049      14.51389  
1 1 1 -18 63  21 o 22.356  8.9829  239.156    332.568  214.632    470.342  263.676    470.302  23.952  10.233  24.579  10.355  -0.6277390     14.55836  
1 1 1 -18 63  22 o 35.315  9.2933  851.819    360.293  674.910    508.823  1029.72    510.243  30.499  11.418  36.803  11.519  -6.303347      16.21929  
1 1 1 -18 63  23 o 23.414  9.5637  284.235    384.089  383.765    615.737  220.839    491.417  26.793  11.581  23.822  10.321  2.971445       15.51269  
1 1 1 -18 64  1  o 46.327  6.6130  1215.36    322.401  912.898    443.613  1553.96    469.362  39.087  10.325  51.776  8.6767  -12.68851      13.48641  
1 1 1 -18 64  2  o 51.290  6.0728  1475.62    330.807  1340.94    449.074  1635.42    489.154  47.910  8.9842  53.096  8.8150  -5.185806      12.58650  
1 1 1 -18 64  3  o 32.439  8.4567  616.614    300.173  494.584    402.145  770.144    451.073  30.099  10.277  36.070  10.743  -5.970570      14.86702  
1 1 1 -18 64  4  o 62.269  2.9150  2111.01    196.597  2018.81    211.631  2691.59    531.085  60.774  3.2266  69.047  7.2077  -8.273109      7.896983  
1 1 1 -18 64  5  o 140.117 3.2086  10702.31   486.941  10471.95   553.088  11496.26   1026.81  138.454 3.6882  143.707 6.5969  -5.252899      7.557952  
1 1 1 -18 64  6  o 130.988 3.1584  9353.11    448.092  8847.92    510.569  11046.69   934.828  127.245 3.7046  141.089 6.1174  -13.84395      7.151719  
1 1 1 -18 64  7  o 24.066  6.3309  333.775    167.240  247.503    188.120  658.993    365.246  21.389  7.0243  33.396  9.5918  -12.00651      11.88878  
1 1 1 -18 64  8  o 74.469  3.2210  3025.21    259.801  3140.77    299.388  2672.86    522.777  75.801  3.6466  68.707  7.1287  7.093811       8.007261  
1 1 1 -18 64  9  o 106.717 3.4741  6222.47    401.559  6422.50    521.833  5932.03    628.786  108.112 4.4564  103.311 5.6407  4.800674       7.188683  
1 1 1 -18 64  10 o 77.098  2.4769  3234.47    206.835  3135.70    309.165  3314.49    278.284  75.674  3.7720  77.902  3.2981  -2.228447      5.010566  
1 1 1 -18 64  11 f 108.765 2.9999  6453.66    353.402  6493.00    510.121  6417.35    490.053  108.665 4.3343  108.085 4.1861  0.5799026      6.025707  
1 1 1 -18 64  12 o 157.721 3.6338  13623.35   620.757  13280.87   847.552  14019.66   911.721  154.924 5.0510  159.009 5.2938  -4.084152      7.316914  
1 1 1 -18 64  13 o 99.810  3.1619  5445.00    341.817  5368.18    482.052  5522.69    484.763  98.634  4.5123  100.060 4.4730  -1.425430      6.353607  
1 1 1 -18 64  14 o 103.400 3.1998  5851.41    358.358  5767.07    507.569  5935.23    506.023  102.087 4.5905  103.603 4.5095  -1.516388      6.434897  
1 1 1 -18 64  15 o 15.637  6.7783  -9.6994    212.146  19.145     335.068  -28.9988   274.078  19.817  8.5545  17.378  7.6154  2.439869       11.45306  
1 1 1 -18 64  16 o 79.037  3.4480  3440.50    295.165  3384.47    442.644  3485.36    396.079  77.345  5.3161  78.885  4.6564  -1.539421      7.067039  
1 1 1 -18 64  17 o 16.975  7.1254  56.713     221.365  226.326    347.490  -59.1323   287.178  22.956  9.1970  17.091  7.6265  5.865885       11.94774  
1 1 1 -18 64  18 o 20.486  7.5848  216.357    223.294  124.458    380.882  264.483    275.628  21.847  9.2676  22.436  8.4030  -0.5886917     12.50997  
1 1 1 -18 64  19 o 27.952  9.1444  497.481    318.928  305.129    409.557  793.823    508.351  24.875  9.9780  33.701  11.554  -8.825937      15.26609  
1 1 1 -18 64  20 o 15.306  7.3278  -372.4044  345.892  -281.5031  492.055  -461.2006  486.324  19.548  9.1733  18.111  8.6758  1.436897       12.62617  
1 1 1 -18 64  21 o 20.617  9.0222  67.461     383.489  -68.3026   526.240  221.205    560.005  21.750  9.9513  25.063  10.937  -3.313608      14.78664  
1 1 1 -18 64  22 o 37.256  9.6336  963.962    391.617  819.291    512.342  1167.27    607.364  32.785  11.576  37.776  12.631  -4.990730      17.13299  
1 1 1 -18 64  23 o 31.538  9.6726  700.583    361.854  765.653    519.019  639.041    504.756  31.651  11.590  29.639  11.310  2.011936       16.19357  
1 1 1 -18 65  1  o 37.712  6.7717  815.117    266.431  783.620    421.280  836.112    343.953  36.267  10.263  37.698  8.6124  -1.430691      13.39791  
1 1 1 -18 65  2  o 74.521  4.9112  3067.09    394.182  3136.86    543.618  2989.74    572.411  74.718  6.7915  72.698  7.3716  2.019821       10.02320  
1 1 1 -18 65  3  o 44.498  6.8867  1128.72    321.191  1395.65    436.629  813.935    474.154  49.001  8.5372  36.934  11.018  12.06742       13.93848  
1 1 1 -18 65  4  o 43.645  3.3738  1045.40    158.247  1052.43    167.540  987.224    481.845  43.759  3.5660  40.444  10.797  3.314785       11.37094  
1 1 1 -18 65  5  o 52.122  2.1232  1475.65    119.864  1343.19    207.857  1541.64    146.716  49.399  3.9170  53.239  2.5443  -3.840286      4.670798  
1 1 1 -18 65  6  o 52.388  3.6924  1507.36    208.172  1521.81    227.397  1432.57    517.303  52.571  4.0242  48.993  10.085  3.577816       10.85795  
1 1 1 -18 65  7  o 20.587  6.4877  234.424    161.553  303.608    180.682  -41.3822   360.757  23.082  6.7803  20.059  8.7651  3.023085       11.08143  
1 1 1 -18 65  8  o 98.598  2.9231  5297.79    312.165  5172.96    380.932  5553.01    544.682  97.268  3.6158  100.338 5.0119  -3.070099      6.180117  
1 1 1 -18 65  9  o 109.105 3.7282  6515.85    440.571  6232.62    543.083  7061.04    753.481  106.370 4.7139  112.366 6.2153  -5.995476      7.800635  
1 1 1 -18 65  10 o 67.975  3.2063  2522.99    236.057  2780.17    328.291  2247.68    339.668  71.002  4.2891  63.612  4.9694  7.389557       6.564378  
1 1 1 -18 65  11 o 61.909  3.4306  2102.24    229.138  2041.90    317.897  2167.50    330.575  60.619  4.8832  62.452  4.9272  -1.833157      6.937056  
1 1 1 -18 65  12 o 86.713  3.2675  4110.82    306.880  4125.21    444.904  4097.76    423.850  86.278  4.7796  86.076  4.5626  0.2015152      6.607727  
1 1 1 -18 65  13 o 83.545  2.8091  3809.40    254.190  4046.42    414.694  3666.76    321.712  85.478  4.4950  81.753  3.6332  3.725647       5.779751  
1 1 1 -18 65  14 o 52.722  3.9460  1539.49    223.695  1708.85    327.059  1390.62    306.632  54.980  5.5691  49.441  5.8388  5.538795       8.068875  
1 1 1 -18 65  15 o 27.466  6.3741  446.043    185.961  343.863    259.233  554.368    266.914  24.521  8.2515  30.194  8.0245  -5.673105      11.50997  
1 1 1 -18 65  16 o 34.873  6.3411  717.370    230.688  911.002    349.810  568.354    306.874  38.230  8.6500  30.162  8.8295  8.068308       12.36057  
1 1 1 -18 65  17 o 21.702  8.0044  248.143    248.218  238.490    454.248  252.253    296.379  24.785  10.290  22.545  8.6513  2.239899       13.44325  
1 1 1 -18 65  18 o 25.293  8.9125  380.087    303.544  503.872    388.221  185.374    486.901  28.399  10.071  24.441  10.426  3.958767       14.49616  
1 1 1 -18 65  19 o 19.349  8.2770  71.305     308.382  -189.7779  475.939  260.236    404.867  20.100  9.2928  24.044  9.8196  -3.943686      13.51967  
1 1 1 -18 65  20 o 18.903  8.0425  81.430     288.338  141.120    401.704  17.993     414.123  22.050  9.4399  20.741  9.2130  1.309208       13.19054  
1 1 1 -18 65  21 o 25.691  8.8323  422.858    297.163  573.185    379.127  183.380    478.521  28.994  9.9758  23.538  10.192  5.456638       14.26125  
1 1 1 -18 65  22 f 18.794  8.2202  45.100     317.960  209.373    426.978  -159.3996  476.397  22.957  9.7777  19.842  9.2168  3.115059       13.43705  
1 1 1 -18 66  1  o 55.735  5.7567  1736.86    342.506  2064.67    474.277  1379.56    495.151  60.231  7.4275  48.177  9.8222  12.05388       12.31436  
1 1 1 -18 66  2  o 42.388  1.6051  974.723    73.690   1016.34    103.842  932.500    104.589  43.192  2.2273  41.354  2.3447  1.838596       3.233990  
1 1 1 -18 66  3  o 85.009  4.7425  3984.81    434.917  3823.23    600.656  4162.89    630.566  82.496  6.7824  86.088  6.8184  -3.591805      9.617267  
1 1 1 -18 66  4  o 98.401  2.5100  5266.29    267.516  4989.10    322.725  5875.04    478.260  95.666  3.1146  103.515 4.2657  -7.849014      5.281779  
1 1 1 -18 66  5  o 115.300 3.0575  7246.15    381.820  7061.66    429.984  7934.08    830.281  113.711 3.4912  119.168 6.4568  -5.456566      7.340255  
1 1 1 -18 66  6  o 66.312  3.3077  2399.93    237.573  2259.51    261.799  3054.99    565.471  64.159  3.7842  73.452  7.2004  -9.293373      8.134230  
1 1 1 -18 66  7  o 22.933  6.4314  301.988    166.216  264.489    186.764  444.831    364.511  21.866  6.9847  28.505  9.7831  -6.639297      12.02059  
1 1 1 -18 66  8  o 32.635  2.3305  582.090    81.834   556.583    83.612   1162.83    398.962  31.894  2.4389  44.442  8.5993  -12.54790      8.938482  
1 1 1 -18 66  9  o 110.892 3.7581  6734.34    451.375  6576.52    557.697  7034.03    768.535  109.237 4.7136  112.015 6.3608  -2.777397      7.916979  
1 1 1 -18 66  10 o 38.767  4.5437  838.361    187.163  998.025    261.802  671.454    267.674  41.951  5.9269  33.828  7.5023  8.123051       9.560963  
1 1 1 -18 66  11 o 58.602  3.5273  1886.41    222.843  2182.90    310.071  1569.68    320.483  62.758  4.5935  52.821  5.6917  9.937035       7.314079  
1 1 1 -18 66  12 o 20.281  7.0211  215.088    187.939  361.861    268.280  73.651     263.359  25.367  8.3912  18.897  7.8391  6.469948       11.48323  
1 1 1 -18 66  13 o 70.272  3.4236  2707.32    260.581  2656.95    367.303  2758.36    369.742  68.996  4.9480  70.333  4.8839  -1.337158      6.952341  
1 1 1 -18 66  14 o 48.196  4.1538  1293.37    214.717  1500.69    335.585  1149.67    279.392  51.139  6.1844  44.794  5.9024  6.344387       8.549007  
1 1 1 -18 66  15 o 16.636  6.6927  88.461     184.845  70.094     246.229  112.176    279.799  18.075  7.5457  19.734  8.1233  -1.659702      11.08718  
1 1 1 -18 66  16 o 50.237  2.5789  1385.31    139.850  1682.43    359.380  1332.29    151.817  53.710  6.2972  49.187  2.8621  4.522961       6.917096  
1 1 1 -18 66  17 o 46.910  5.3362  1265.04    266.300  1663.37    506.705  1113.04    313.014  50.988  9.5255  43.134  6.9350  7.854355       11.78258  
1 1 1 -18 66  18 o 17.197  7.5491  -9.4600    270.335  -156.2886  375.110  149.211    389.944  18.212  8.3580  22.284  9.4108  -4.072353      12.58647  
1 1 1 -18 66  19 o 19.786  8.3501  103.794    306.671  182.497    391.363  -21.4104   493.621  22.613  9.4821  21.969  9.8859  0.6437454      13.69823  
1 1 1 -18 66  20 o 45.832  6.9101  1279.69    332.367  1254.13    415.548  1325.05    553.734  43.680  9.0798  42.370  11.687  1.310108       14.79955  
1 1 1 -18 66  21 o 20.958  8.5629  189.399    308.035  68.659     366.688  478.894    567.794  20.220  8.8360  27.951  11.546  -7.731504      14.53889  
1 1 1 -18 66  22 o 22.566  8.8785  274.419    318.286  263.188    379.612  301.003    584.035  23.133  9.4850  25.827  11.221  -2.694199      14.69266  
1 1 1 -18 67  1  o 74.905  3.4480  3063.92    279.735  3521.21    555.936  2908.89    323.699  79.210  6.5384  72.744  4.1254  6.466248       7.731132  
1 1 1 -18 67  2  o 120.436 4.5525  7969.04    593.842  7896.45    817.199  8050.25    864.427  118.921 6.3677  119.893 6.6833  -0.9728470     9.231155  
1 1 1 -18 67  3  o 128.755 4.6778  9116.05    652.339  9446.39    914.262  8773.46    931.060  130.161 6.4852  125.032 6.9020  5.129166       9.470720  
1 1 1 -18 67  4  o 32.173  4.0588  575.794    138.290  541.993    144.906  920.785    462.941  31.122  4.4233  39.009  10.656  -7.886749      11.53716  
1 1 1 -18 67  5  o 49.049  2.2631  1307.72    120.229  1292.15    123.696  1573.91    511.437  48.749  2.3427  51.565  9.5077  -2.815128      9.792021  
1 1 1 -18 67  6  o 32.094  5.4484  584.920    182.622  529.842    197.799  903.071    475.392  30.322  6.2311  38.545  10.900  -8.222414      12.55572  
1 1 1 -18 67  7  o 67.426  3.2789  2482.48    239.455  2519.03    273.839  2363.74    493.575  67.736  3.7471  64.441  7.1944  3.294395       8.111768  
1 1 1 -18 67  8  o 102.478 3.1206  5731.09    346.373  5708.00    399.066  5801.61    697.438  102.141 3.6073  101.707 6.3632  0.4333038      7.314529  
1 1 1 -18 67  9  o 96.140  4.4420  5085.78    462.541  5691.50    650.677  4467.02    657.643  100.898 5.9807  88.889  6.8845  12.00864       9.119503  
1 1 1 -18 67  10 o 91.879  3.0359  4607.52    302.115  4689.56    420.956  4520.38    433.846  92.363  4.2079  90.612  4.4206  1.751045       6.103160  
1 1 1 -18 67  11 o 22.155  6.8500  278.393    181.064  260.503    255.689  296.388    256.437  22.696  8.1602  23.591  8.1994  -0.8949471     11.56800  
1 1 1 -18 67  12 o 37.654  5.1340  801.477    203.921  818.048    290.408  785.360    286.408  37.257  7.4568  36.473  7.5006  0.7843971      10.57652  
1 1 1 -18 67  13 o 24.801  6.7737  362.243    187.096  243.294    252.722  506.501    278.313  22.073  8.0865  29.022  8.3837  -6.949356      11.64806  
1 1 1 -18 67  14 o 25.683  0.8915  357.596    24.798   -128.8311  267.911  361.800    24.905   15.728  7.1592  25.834  0.8901  -10.10529      7.214344  
1 1 1 -18 67  15 o 54.147  3.9996  1635.48    232.907  1660.40    320.075  1607.44    339.546  53.841  5.5692  52.711  6.0575  1.130501       8.228588  
1 1 1 -18 67  16 o 37.591  6.0157  828.594    236.671  527.367    404.729  985.123    291.753  29.140  10.289  40.613  6.8780  -11.47294      12.37604  
1 1 1 -18 67  17 o 33.663  8.8584  725.218    327.362  565.925    437.627  927.592    493.271  29.844  10.681  36.654  11.302  -6.809820      15.55077  
1 1 1 -18 67  18 o 42.999  7.5305  1134.31    337.937  1311.66    515.906  1001.02    447.245  43.610  10.941  38.307  10.477  5.303230       15.14841  
1 1 1 -18 67  19 o 36.506  8.0407  845.644    309.339  821.243    429.622  871.914    445.769  34.332  10.541  35.231  10.722  -0.8999290     15.03623  
1 1 1 -18 67  20 o 20.248  8.1252  180.546    271.701  220.045    355.456  125.036    421.390  22.356  9.1737  22.064  9.5586  0.2921791      13.24851  
1 1 1 -18 67  21 o 35.244  8.9703  835.901    343.287  961.998    476.609  699.955    494.869  35.972  11.112  30.966  11.320  5.006008       15.86282  
1 1 1 -18 67  22 o 21.391  8.8263  197.544    331.307  562.651    459.444  -197.9771  478.197  28.555  10.816  19.567  9.1372  8.988596       14.15852  
1 1 1 -18 68  1  o 40.447  7.4127  947.401    312.771  914.911    432.367  983.066    453.003  38.930  10.150  40.298  10.331  -1.367573      14.48232  
1 1 1 -18 68  2  o 73.736  3.3063  2968.19    264.053  2770.15    541.112  3030.08    302.517  69.845  7.2589  74.320  3.7705  -4.474579      8.179775  
1 1 1 -18 68  3  o 104.245 4.6259  5978.35    522.309  6086.37    726.953  5863.07    750.943  104.227 6.4715  102.097 6.8302  2.130318       9.409184  
1 1 1 -18 68  4  o 115.358 3.2793  7264.73    409.727  6730.49    481.684  8662.92    779.254  110.816 4.0132  124.936 5.7586  -14.12045      7.019103  
1 1 1 -18 68  5  o 106.977 2.8468  6235.80    329.850  5908.55    365.692  7664.00    763.962  104.036 3.2453  117.202 6.0387  -13.16604      6.855521  
1 1 1 -18 68  6  o 113.091 3.0943  6977.61    379.022  6549.60    427.655  8544.90    818.353  109.423 3.6084  123.841 6.1011  -14.41800      7.088256  
1 1 1 -18 68  7  o 32.196  5.6081  590.687    188.453  529.033    208.769  862.017    437.960  30.197  6.5700  37.678  10.394  -7.481359      12.29624  
1 1 1 -18 68  8  o 74.160  2.4440  2992.74    196.307  2982.26    302.860  3000.34    257.793  73.683  3.8079  74.125  3.2110  -0.4418411     4.981024  
1 1 1 -18 68  9  o 102.177 4.0536  5732.30    448.607  5709.08    690.735  5749.24    589.967  100.788 6.3601  101.670 5.3767  -0.8818893     8.328247  
1 1 1 -18 68  10 o 108.091 3.0097  6379.37    352.364  6477.05    508.715  6289.28    488.533  108.443 4.3311  106.906 4.2191  1.537743       6.046464  
1 1 1 -18 68  11 o 7.4962  2.5726  27.918     25.205   64.572     222.167  27.440     25.369   17.469  7.2196  7.4679  2.5799  10.00137       7.666685  
1 1 1 -18 68  12 o 22.114  7.0565  276.956    190.664  211.208    271.070  341.334    268.231  21.735  8.2895  24.726  8.3931  -2.990765      11.79662  
1 1 1 -18 68  13 o 30.395  6.4209  543.883    204.762  885.651    294.078  222.267    285.276  38.635  7.2951  22.121  8.4879  16.51427       11.19208  
1 1 1 -18 68  14 o 73.299  3.4144  2959.14    271.071  3019.79    376.078  2893.56    391.067  73.331  4.7607  71.603  5.0754  1.728378       6.958765  
1 1 1 -18 68  15 o 57.152  4.1435  1827.27    254.747  1878.27    404.684  1793.79    327.857  56.517  6.7443  55.966  5.4789  0.5505676      8.689291  
1 1 1 -18 68  16 o 27.328  8.8277  462.342    297.694  620.890    387.875  235.074    464.386  30.989  10.082  24.904  10.377  6.084728       14.46802  
1 1 1 -18 68  17 o 33.436  8.2055  704.391    294.942  190.993    413.801  1234.55    420.503  23.339  9.7660  43.896  9.1415  -20.55637      13.37695  
1 1 1 -18 68  18 o 32.730  9.1660  702.302    337.858  550.864    451.685  894.646    509.049  29.272  10.797  35.440  11.551  -6.168245      15.81161  
1 1 1 -18 68  19 o 55.031  6.3354  1801.96    370.724  1871.58    486.482  1705.53    572.533  54.203  8.5715  49.350  10.993  4.853561       13.93982  
1 1 1 -18 68  20 o 32.733  9.3696  727.680    349.053  766.862    460.037  674.516    535.864  32.586  10.992  30.777  11.675  1.809681       16.03516  
1 1 1 -18 68  21 o 21.418  8.6638  212.920    311.613  234.547    371.690  161.761    571.657  22.666  9.3502  24.407  10.834  -1.741032      14.31075  
1 1 1 -18 69  1  o 48.723  6.3906  1346.10    329.111  1730.04    457.716  935.121    473.556  54.723  7.9555  39.164  10.810  15.55876       13.42168  
1 1 1 -18 69  2  o 21.062  8.4179  144.423    290.356  260.750    392.050  3.1023     432.119  25.344  9.8882  22.414  9.6949  2.929861       13.84797  
1 1 1 -18 69  3  o 61.603  5.5303  2118.92    365.065  2150.07    499.977  2083.34    534.288  61.215  7.7120  59.908  8.4703  1.307217       11.45520  
1 1 1 -18 69  4  o 45.208  4.1010  1129.99    198.619  1036.37    217.120  1610.17    491.716  43.132  4.7249  52.308  9.0039  -9.176098      10.16835  
1 1 1 -18 69  5  o 95.712  2.7652  4990.70    286.658  4836.32    314.176  5757.92    700.402  94.153  3.0808  101.314 6.4159  -7.160736      7.117249  
1 1 1 -18 69  6  o 114.844 3.1942  7200.30    397.315  7192.24    449.481  7229.12    849.694  114.649 3.6197  113.196 6.9642  1.453552       7.848742  
1 1 1 -18 69  7  o 105.696 3.0233  6094.77    346.102  6158.68    413.778  5945.92    631.511  106.086 3.6011  103.307 5.6656  2.779259       6.713175  
1 1 1 -18 69  8  o 100.432 2.7632  5497.73    300.574  5754.12    393.213  5137.33    466.195  102.537 3.5406  96.590  4.4562  5.946732       5.691559  
1 1 1 -18 69  9  o 84.930  4.5499  3989.83    417.016  4251.27    585.233  3720.16    594.372  86.879  6.2613  80.940  6.8441  5.938972       9.276110  
1 1 1 -18 69  10 o 100.550 3.0816  5525.60    335.608  5570.13    463.835  5476.69    486.196  100.539 4.2595  99.589  4.5074  0.9497528      6.201658  
1 1 1 -18 69  11 o 108.467 3.1462  6438.53    369.619  6167.27    514.873  6726.99    530.936  105.582 4.5024  110.299 4.4443  -4.716919      6.326381  
1 1 1 -18 69  12 o 8.9093  2.6199  44.044     26.964   25.897     263.191  44.236     27.107   17.910  7.6534  8.9292  2.6271  8.980309       8.091740  
1 1 1 -18 69  13 o 23.413  7.3269  320.671    206.448  333.011    306.263  310.395    279.494  24.716  8.9251  23.873  8.5370  0.8431301      12.35064  
1 1 1 -18 69  14 o 17.391  6.8487  116.445    189.554  16.570     257.194  235.202    280.453  17.389  7.5005  22.068  8.4281  -4.678303      11.28230  
1 1 1 -18 69  15 o 20.787  1.1442  235.231    25.662   -286.1577  283.130  239.550    25.768   14.355  6.8035  20.979  1.1383  -6.623907      6.898092  
1 1 1 -18 69  16 o 24.886  8.8136  361.222    297.205  536.617    386.912  108.771    464.185  29.161  10.075  23.227  10.047  5.934534       14.22874  
1 1 1 -18 69  17 o 39.180  7.2463  935.468    296.176  884.003    365.234  1034.31    506.148  36.889  9.1783  38.381  11.369  -1.491169      14.61127  
1 1 1 -18 69  18 o 14.940  6.8218  -109.4316  245.698  -151.0997  315.343  -45.0554   391.962  16.562  7.6239  19.672  8.8346  -3.109655      11.66937  
1 1 1 -18 69  19 f 32.377  8.8696  692.603    320.221  1016.00    467.403  406.538    439.597  37.736  10.854  26.405  10.420  11.33077       15.04605  
1 1 1 -18 69  20 o 39.053  7.7462  967.867    316.082  840.337    407.499  1160.49    500.807  34.494  10.197  39.730  11.171  -5.236710      15.12516  
1 1 1 -18 69  21 o 64.954  5.4376  2466.97    379.028  2270.73    500.304  2731.33    580.687  59.970  7.8944  65.214  8.4177  -5.244110      11.54029  
1 1 1 -18 70  1  o 97.640  4.0151  5228.37    424.614  5077.26    536.403  5481.96    694.897  95.685  5.1953  98.775  6.5323  -3.089798      8.346341  
1 1 1 -18 70  2  o 175.506 5.3203  17051.09   1011.33  17494.77   1424.79  16600.56   1435.75  175.923 7.4776  171.104 7.7473  4.818451       10.76728  
1 1 1 -18 70  3  o 145.432 5.1249  11690.05   807.263  11477.43   1193.45  11869.37   1096.04  142.059 7.7862  145.307 6.9642  -3.248627      10.44627  
1 1 1 -18 70  4  f 126.703 3.2136  8764.62    441.014  8288.68    521.385  9961.38    826.770  122.975 3.9145  133.922 5.6999  -10.94673      6.914572  
1 1 1 -18 70  5  o 60.536  1.7557  1989.49    115.118  1099.25    211.109  2366.22    137.332  44.494  4.4399  66.004  1.9210  -21.50965      4.837689  
1 1 1 -18 70  6  o 87.899  3.1617  4218.42    301.003  4263.37    336.651  4039.26    672.108  88.280  3.5209  84.186  7.4479  4.093590       8.238186  
1 1 1 -18 70  7  o 111.688 3.2030  6814.77    387.472  6528.17    439.082  7823.46    823.727  109.151 3.7141  117.937 6.4733  -8.786606      7.463107  
1 1 1 -18 70  8  o 192.977 3.4979  20390.58   731.108  20839.92   946.612  19726.28   1150.98  194.399 4.4958  188.160 5.6477  6.239197       7.218617  
1 1 1 -18 70  9  o 118.261 4.5424  7724.14    581.832  7863.06    818.279  7582.09    827.466  118.023 6.4254  115.740 6.6284  2.283432       9.231538  
1 1 1 -18 70  10 o 16.177  6.4054  87.870     166.647  15.141     228.204  170.968    243.929  16.697  7.1307  20.294  7.8325  -3.596699      10.59219  
1 1 1 -18 70  11 o 59.335  3.5275  1941.08    225.677  1985.97    309.756  1890.29    329.466  59.558  4.8438  57.906  5.3124  1.652431       7.189120  
1 1 1 -18 70  12 o 48.091  4.2178  1291.08    217.474  1428.41    303.654  1146.46    311.611  50.007  5.7086  44.303  6.7036  5.704487       8.804877  
1 1 1 -18 70  13 o 53.478  2.6492  1565.15    153.447  2058.64    343.687  1442.28    171.488  60.177  5.3282  51.145  3.1105  9.031780       6.169652  
1 1 1 -18 70  14 o 23.844  7.8155  335.113    232.928  164.987    389.562  429.779    290.595  22.788  9.5003  26.610  8.7299  -3.822712      12.90220  
1 1 1 -18 70  15 o 26.299  8.4378  422.607    272.329  669.645    342.127  -4.5808    449.898  32.308  9.2844  21.716  9.6265  10.59173       13.37421  
1 1 1 -18 70  16 o 15.044  7.0143  -203.1299  280.094  -362.5627  362.568  32.857     441.108  16.001  7.6171  21.826  9.6106  -5.825188      12.26311  
1 1 1 -18 70  17 o 21.495  8.0398  243.177    252.154  372.743    326.544  51.815     396.849  25.197  9.1979  21.045  9.1945  4.152378       13.00538  
1 1 1 -18 70  18 o 36.799  7.8329  852.326    302.621  902.179    372.909  756.171    517.894  36.857  9.3321  32.627  11.626  4.230309       14.90802  
1 1 1 -18 70  19 o 38.030  8.5971  942.118    345.797  694.238    452.963  1288.38    535.360  31.381  10.898  41.941  11.460  -10.55964      15.81416  
1 1 1 -18 70  20 o 41.990  8.1002  1128.19    355.042  975.698    440.122  1412.33    600.775  36.993  10.498  42.725  12.310  -5.731628      16.17857  
1 1 1 -18 71  1  o 76.338  4.9282  3230.57    405.300  3223.82    567.143  3237.62    579.415  75.373  7.0282  75.464  7.1753  -0.9053040E-01 10.04392  
1 1 1 -18 71  2  o 94.289  4.6849  4900.08    478.450  5045.90    666.838  4745.38    686.868  94.701  6.5413  91.590  6.9765  3.111115       9.563481  
1 1 1 -18 71  3  o 27.389  1.5937  408.448    47.073   409.444    47.331   317.896    451.440  27.421  1.6006  27.256  10.617  0.1658688      10.73719  
1 1 1 -18 71  4  o 39.200  1.6333  834.013    69.348   629.177    193.701  864.128    74.271   33.244  5.5771  39.897  1.7187  -6.652889      5.835925  
1 1 1 -18 71  5  o 91.071  3.0871  4527.85    304.508  4590.42    339.498  4270.34    688.683  91.615  3.4214  86.534  7.4197  5.081238       8.170529  
1 1 1 -18 71  6  o 95.290  3.1553  4960.35    325.661  4839.49    365.922  5420.68    714.149  94.002  3.5940  97.891  6.7773  -3.889244      7.671307  
1 1 1 -18 71  7  o 27.321  6.8832  437.623    203.593  387.806    225.117  661.407    477.125  25.802  7.5650  33.402  11.195  -7.599318      13.51114  
1 1 1 -18 71  8  o 111.358 2.8243  6767.39    340.645  6978.02    447.707  6477.82    524.949  112.783 3.6650  108.326 4.4742  4.457306       5.783670  
1 1 1 -18 71  9  o 102.239 3.5342  5734.65    391.363  5415.14    471.777  6439.73    700.825  99.000  4.3998  106.849 6.0809  -7.848709      7.505688  
1 1 1 -18 71  10 o 40.825  4.2813  931.160    186.492  1022.65    251.810  820.013    277.542  42.355  5.6285  37.297  7.1304  5.057858       9.084157  
1 1 1 -18 71  11 o 45.890  4.2177  1175.69    207.290  1371.30    288.528  967.026    298.007  49.092  5.5222  40.499  7.0499  8.593330       8.955190  
1 1 1 -18 71  12 o 93.071  3.2252  4761.83    325.118  4619.31    463.793  4899.53    455.883  90.781  4.7333  93.755  4.4894  -2.974525      6.523721  
1 1 1 -18 71  13 o 21.611  7.6230  255.549    222.116  -274.8685  361.464  577.343    281.543  16.879  7.9022  30.486  8.3023  -13.60695      11.46181  
1 1 1 -18 71  14 o 46.712  5.2798  1249.42    262.439  1389.11    440.298  1172.44    326.844  47.089  8.9602  44.334  7.0421  2.755024       11.39633  
1 1 1 -18 71  15 o 52.483  6.2286  1610.35    347.149  1727.22    474.801  1476.12    508.852  52.722  8.6121  47.448  10.205  5.274479       13.35300  
1 1 1 -18 71  16 o 31.134  8.9799  624.459    319.530  308.478    429.872  1014.60    477.664  25.294  10.195  38.383  10.952  -13.08892      14.96268  
1 1 1 -18 71  17 o 28.042  8.5329  502.216    282.320  505.108    345.443  496.398    489.921  28.051  9.5248  28.509  11.073  -0.4581776     14.60595  
1 1 1 -18 71  18 o 19.835  7.9598  165.817    260.757  180.090    339.011  145.139    408.043  21.562  8.9151  22.243  9.5181  -0.6815681     13.04121  
1 1 1 -18 71  19 o 15.547  7.0580  -85.7141   258.194  -62.0431   334.336  -120.6905  406.409  17.942  8.0991  18.977  8.7057  -1.035334      11.89050  
1 1 1 -18 71  20 o 22.726  9.0776  261.847    337.419  264.761    488.621  259.191    466.511  24.667  10.482  24.337  10.286  0.3305035      14.68588  
1 1 1 -18 72  1  o 60.564  5.5502  2055.02    360.031  2365.04    503.383  1730.35    515.142  64.231  7.3692  54.020  9.1298  10.21068       11.73280  
1 1 1 -18 72  2  o 40.001  7.6642  936.631    319.962  901.954    439.727  975.650    466.443  38.387  10.343  39.825  10.619  -1.438251      14.82390  
1 1 1 -18 72  3  o 42.889  7.2098  1065.44    323.040  1058.65    436.232  1073.69    480.693  41.751  9.8126  41.759  10.607  -0.7553101E-02 14.44997  
1 1 1 -18 72  4  o 73.516  3.2937  2954.93    262.264  2541.44    296.099  4460.33    564.977  67.900  4.0446  89.224  5.8792  -21.32428      7.136081  
1 1 1 -18 72  5  o 141.438 3.2225  10935.69   493.661  10646.15   560.367  11939.29   1043.27  139.339 3.7130  145.616 6.6148  -6.276016      7.585662  
1 1 1 -18 72  6  o 108.349 3.1659  6417.20    371.530  6297.46    419.304  6854.69    801.468  107.183 3.6119  109.994 6.7601  -2.811737      7.664520  
1 1 1 -18 72  7  o 21.879  1.4096  260.821    33.226   191.449    206.859  262.658    33.663   19.985  7.3169  21.955  1.4233  -1.970524      7.454014  
1 1 1 -18 72  8  o 36.336  4.4771  740.371    172.472  930.289    233.385  511.852    256.006  40.484  5.4619  29.282  7.8929  11.20268       9.598475  
1 1 1 -18 72  9  o 16.725  6.4990  107.672    168.830  9.5595     227.596  227.715    251.750  16.528  7.0915  21.682  8.0484  -5.153828      10.72690  
1 1 1 -18 72  10 o 51.415  2.4477  1442.52    136.310  1311.76    311.682  1473.44    151.574  47.736  6.1729  51.851  2.7084  -4.114792      6.740933  
1 1 1 -18 72  11 o 4.0523  1.9884  -60.3559   29.904   363.510    225.349  -67.9539   30.171   24.753  7.6401  3.9262  1.9401  20.82724       7.882583  
1 1 1 -18 72  12 f 30.267  6.2355  542.223    197.612  616.242    276.211  464.609    282.839  31.612  8.0465  27.555  8.5684  4.056849       11.75430  
1 1 1 -18 72  13 o 91.110  3.6909  4593.71    364.225  4654.46    605.808  4559.32    455.804  89.740  6.2722  90.071  4.6884  -0.3310318     7.830821  
1 1 1 -18 72  14 o 34.148  8.3173  729.585    304.774  571.157    413.833  917.357    450.533  30.049  10.418  37.032  10.658  -6.982851      14.90354  
1 1 1 -18 72  15 o 17.364  7.7203  -43.0490   291.452  -352.6207  393.651  332.522    433.587  16.933  8.0245  25.793  10.294  -8.860415      13.05241  
1 1 1 -18 72  16 o 25.559  8.7388  398.854    290.801  971.395    434.758  -64.6908   391.192  37.867  10.319  19.555  8.8000  18.31259       13.56162  
1 1 1 -18 72  17 o 28.404  8.7009  519.829    292.900  457.020    363.575  635.969    494.390  27.025  9.7291  30.690  11.300  -3.665407      14.91138  
1 1 1 -18 72  18 o 32.450  9.1129  701.050    333.468  883.528    438.585  451.018    513.391  35.385  10.606  27.648  11.143  7.736141       15.38338  
1 1 1 -18 72  19 o 40.505  7.6511  1031.17    323.363  1109.60    402.747  888.891    542.443  40.717  9.3320  34.358  11.926  6.359344       15.14332  
1 1 1 -18 73  1  o 82.637  4.8182  3789.77    429.380  3516.82    601.418  4073.53    613.223  78.464  7.1555  84.729  6.7378  -6.265038      9.828508  
1 1 1 -18 73  2  o 86.488  4.7836  4148.42    446.365  4327.22    620.617  3956.82    642.459  87.424  6.6029  83.241  7.1967  4.183472       9.766824  
1 1 1 -18 73  3  o 25.689  8.8480  360.918    298.289  105.481    401.493  675.620    445.642  22.898  9.6031  33.526  10.798  -10.62747      14.45026  
1 1 1 -18 73  4  o 38.716  4.4461  837.102    183.058  789.051    198.343  1113.30    475.534  37.418  5.0207  42.439  10.422  -5.021267      11.56788  
1 1 1 -18 73  5  o 38.838  4.1803  839.848    173.075  779.264    195.550  1058.90    371.838  37.180  4.9812  42.148  8.4397  -4.967812      9.800054  
1 1 1 -18 73  6  o 33.453  5.2528  636.744    184.057  553.550    198.864  1133.80    486.085  30.882  6.1614  42.614  10.580  -11.73153      12.24360  
1 1 1 -18 73  7  o 52.311  3.3752  1506.30    190.211  1596.57    252.383  1387.62    289.396  53.569  4.3884  49.541  5.4854  4.028419       7.024762  
1 1 1 -18 73  8  o 33.128  5.2499  626.964    182.090  899.432    244.870  289.928    272.343  39.578  5.8919  23.471  8.4235  16.10749       10.27963  
1 1 1 -18 73  9  o 13.104  5.8223  -47.8453   165.510  -196.0283  222.836  134.493    247.187  13.289  6.2159  19.453  7.7699  -6.164663      9.950281  
1 1 1 -18 73  10 o 46.353  4.0625  1198.82    201.904  1316.55    267.764  1043.67    307.390  48.150  5.2178  42.037  6.9973  6.113068       8.728559  
1 1 1 -18 73  11 o 24.893  6.5061  369.805    177.370  506.714    236.044  192.235    268.819  28.861  7.4872  20.994  8.1888  7.866608       11.09572  
1 1 1 -18 73  12 o 44.335  2.2056  1072.57    105.911  1253.03    380.115  1057.39    110.279  45.375  8.0281  43.941  2.3254  1.434196       8.358110  
1 1 1 -18 73  13 o 71.564  4.8329  2891.43    372.410  3082.65    504.577  2662.63    551.938  72.757  6.4705  66.550  7.8055  6.206985       10.13871  
1 1 1 -18 73  14 o 44.929  6.6850  1197.88    315.399  1073.64    421.644  1355.71    475.234  40.615  9.7154  45.650  9.8970  -5.034332      13.86868  
1 1 1 -18 73  15 o 50.916  5.9513  1512.37    322.003  2025.54    473.373  1070.43    439.296  57.651  7.7797  40.089  10.117  17.56199       12.76235  
1 1 1 -18 73  16 o 56.926  6.1248  1903.42    371.698  2423.09    511.853  1323.63    540.649  62.984  7.6610  43.308  11.378  19.67586       13.71691  
1 1 1 -18 73  17 o 39.042  8.5153  979.677    349.941  1101.99    478.848  839.476    512.663  39.559  10.850  34.096  11.603  5.462841       15.88577  
1 1 1 -18 73  18 o 25.641  8.8949  414.651    301.718  782.142    440.223  89.103     414.340  33.182  10.737  21.533  9.4016  11.64997       14.27109  
1 1 1 -18 73  19 o 20.834  8.4580  186.636    298.143  117.727    427.855  251.680    415.686  22.069  9.5962  23.684  9.8387  -1.614563      13.74360  
1 1 1 -18 74  1  o 55.800  5.8852  1762.28    350.322  1766.45    488.080  1757.85    503.123  54.634  8.5266  54.323  8.8562  0.3110428      12.29367  
1 1 1 -18 74  2  o 73.046  3.4013  2923.26    269.101  2860.25    304.681  3146.77    573.831  72.017  3.9208  73.994  7.2533  -1.977341      8.245224  
1 1 1 -18 74  3  o 48.037  2.2086  1255.83    114.912  870.971    442.771  1283.62    118.989  37.423  10.498  48.559  2.2624  -11.13594      10.73860  
1 1 1 -18 74  4  o 49.353  3.8576  1347.20    204.567  1306.75    224.589  1544.22    495.636  48.472  4.3232  50.507  9.4064  -2.034866      10.35230  
1 1 1 -18 74  5  o 83.941  3.0261  3853.67    275.127  3690.60    305.045  4564.79    637.019  82.030  3.4334  89.502  6.6182  -7.472061      7.455739  
1 1 1 -18 74  6  o 58.177  3.6416  1867.44    228.305  1867.57    251.373  1866.81    545.576  58.062  4.0220  55.434  9.4242  2.628357       10.24653  
1 1 1 -18 74  7  o 43.638  3.8565  1057.42    180.400  1019.38    240.329  1106.51    273.039  42.361  5.3579  43.958  5.8823  -1.596848      7.956701  
1 1 1 -18 74  8  o 15.957  6.4149  78.306     169.691  -21.2975   223.227  214.651    261.173  15.791  6.8976  21.473  8.1493  -5.681725      10.67655  
1 1 1 -18 74  9  o 17.597  6.5443  144.718    166.601  391.243    233.440  -111.1924  237.841  25.589  7.7530  14.901  6.7682  10.68884       10.29160  
1 1 1 -18 74  10 o 24.993  6.5403  372.714    179.095  403.986    247.933  338.592    258.985  25.916  8.0162  24.248  8.2471  1.668678       11.50109  
1 1 1 -18 74  11 o 23.926  7.4062  340.096    211.588  54.005     341.918  517.646    269.359  20.228  8.6857  28.972  8.2093  -8.743528      11.95132  
1 1 1 -18 74  12 o 36.752  7.0079  809.662    268.777  790.471    350.611  837.013    418.571  35.275  9.1123  35.745  10.269  -0.4693985     13.72875  
1 1 1 -18 74  13 o 40.057  7.0107  961.857    293.086  1012.85    388.363  894.389    446.707  39.849  9.1862  36.579  10.637  3.270031       14.05475  
1 1 1 -18 74  14 o 62.340  5.2639  2222.69    352.099  2137.72    472.013  2329.29    528.678  59.578  7.4796  61.697  8.1078  -2.118942      11.03093  
1 1 1 -18 74  15 o 40.821  7.6688  1027.91    326.611  1342.92    440.874  644.709    486.249  45.625  9.2384  31.124  11.245  14.50147       14.55318  
1 1 1 -18 74  16 o 21.103  8.3810  201.085    286.091  -355.5421  428.483  648.841    384.301  17.625  8.3583  31.110  10.028  -13.48514      13.05446  
1 1 1 -18 74  17 o 25.223  9.2707  383.419    332.541  -28.0708   452.720  865.597    490.066  21.011  9.4600  34.625  11.336  -13.61374      14.76455  
1 1 1 -18 74  18 o 22.642  9.0821  247.801    339.304  -92.4177   463.478  640.724    498.085  20.503  9.3651  30.437  11.316  -9.934048      14.68896  
1 1 1 -18 75  1  o 89.925  4.7369  4501.26    459.741  4337.49    644.110  4671.35    656.409  86.970  6.8944  90.370  6.7551  -3.400078      9.652172  
1 1 1 -18 75  2  o 61.863  5.5244  2158.53    366.258  2416.97    509.157  1881.39    527.251  64.498  7.4240  55.935  9.0088  8.562542       11.67365  
1 1 1 -18 75  3  o 40.762  7.6024  983.712    323.296  990.196    439.181  976.041    477.656  39.769  10.159  39.205  10.870  0.5640373      14.87848  
1 1 1 -18 75  4  o 107.299 2.9614  6298.20    344.168  5815.01    390.799  7968.23    726.531  102.894 3.5067  119.136 5.6304  -16.24218      6.633128  
1 1 1 -18 75  5  o 64.896  3.2917  2315.95    230.616  2184.54    252.665  2971.81    564.468  62.888  3.7260  71.472  7.3989  -8.583851      8.284141  
1 1 1 -18 75  6  o 66.175  2.5973  2391.54    186.158  2450.09    277.065  2343.36    251.345  66.538  3.8611  65.168  3.5746  1.370026       5.261750  
1 1 1 -18 75  7  o 79.296  2.4538  3432.39    210.747  3315.48    320.284  3521.65    279.870  77.501  3.8156  80.090  3.2263  -2.589622      4.996778  
1 1 1 -18 75  8  o 70.379  2.5153  2706.42    191.734  2781.07    339.325  2671.41    232.389  70.545  4.4640  69.769  3.0752  0.7755661      5.420752  
1 1 1 -18 75  9  o 35.481  2.1864  689.121    83.612   919.679    266.031  663.850    88.076   39.604  6.4217  34.792  2.3510  4.812222       6.838559  
1 1 1 -18 75  10 o 19.564  7.1901  191.154    200.021  484.901    324.594  11.325     253.970  28.164  9.2258  17.232  7.4429  10.93273       11.85378  
1 1 1 -18 75  11 o 21.532  8.0104  235.094    249.652  295.007    339.476  164.530    368.418  24.189  9.2644  22.429  9.2853  1.760199       13.11665  
1 1 1 -18 75  12 o 29.310  8.2957  534.977    275.227  588.693    371.262  469.438    410.086  30.410  9.8620  28.134  10.302  2.275440       14.26137  
1 1 1 -18 75  13 f 43.928  6.5100  1140.68    300.358  859.982    399.125  1507.22    456.092  36.182  9.8982  48.964  8.9291  -12.78177      13.33058  
1 1 1 -18 75  14 o 16.080  7.2485  -81.4251   266.700  -248.0127  348.483  154.093    414.354  16.612  7.7712  22.824  9.6731  -6.211962      12.40812  
1 1 1 -18 75  15 o 28.894  8.3189  531.071    274.441  133.917    389.054  924.423    387.188  21.962  9.3431  37.393  9.5317  -15.43121      13.34710  
1 1 1 -18 75  16 o 31.103  9.1556  637.444    329.147  577.419    449.761  706.664    482.982  29.575  10.795  31.894  11.242  -2.319134      15.58554  
1 1 1 -18 75  17 o 31.736  9.3583  675.168    343.621  557.612    468.501  812.032    505.515  29.073  10.942  33.464  11.519  -4.390913      15.88770  
1 1 1 -18 75  18 o 37.936  7.6406  904.326    303.088  854.005    415.716  961.425    442.831  34.965  10.289  36.911  10.549  -1.946297      14.73567  
1 1 1 -18 76  1  o 28.577  2.2859  447.913    70.162   431.834    71.063   1069.94    441.987  28.044  2.3615  41.235  9.9995  -13.19074      10.27456  
1 1 1 -18 76  2  o 34.208  8.4968  714.995    313.396  716.385    435.609  713.503    451.222  33.778  10.654  33.723  10.866  0.5493164E-01  15.21747  
1 1 1 -18 76  3  o 108.478 4.6624  6546.01    547.801  5923.96    761.336  7213.77    788.811  101.350 6.9781  112.314 6.5123  -10.96395      9.544847  
1 1 1 -18 76  4  o 22.409  6.2089  294.306    155.897  260.791    166.067  543.076    452.438  21.285  6.5568  30.386  10.862  -9.101227      12.68780  
1 1 1 -18 76  5  o 14.125  5.9401  25.313     154.307  2.5926     164.104  198.730    453.378  14.020  6.0186  24.784  10.284  -10.76436      11.91550  
1 1 1 -18 76  6  o 25.118  1.3817  343.590    37.445   345.640    37.563   18.749     472.804  25.193  1.3819  22.809  9.9988  2.383291       10.09384  
1 1 1 -18 76  7  o 35.297  4.5012  704.345    168.164  726.265    221.755  674.680    257.973  35.300  6.0158  33.476  7.3190  1.823608       9.474021  
1 1 1 -18 76  8  o 38.017  5.6253  834.228    224.639  905.158    345.233  782.144    295.834  38.246  8.5490  35.824  7.8419  2.421726       11.60089  
1 1 1 -18 76  9  o 44.515  4.7374  1120.53    224.903  1021.74    342.527  1195.40    298.185  40.958  8.0082  45.325  6.2395  -4.367069      10.15200  
1 1 1 -18 76  10 o 51.172  5.1314  1489.02    280.574  1762.59    378.247  1154.34    418.363  54.977  6.4764  42.748  9.3003  12.22959       11.33313  
1 1 1 -18 76  11 o 24.918  8.1073  370.848    250.814  122.562    309.726  843.831    427.488  20.486  8.5000  35.786  10.406  -15.30028      13.43602  
1 1 1 -18 76  12 o 47.387  5.7793  1301.02    290.478  1231.35    381.334  1397.33    448.349  44.699  8.1780  47.010  9.1346  -2.311852      12.26053  
1 1 1 -18 76  13 o 62.349  5.0815  2215.93    340.167  2068.51    453.234  2406.09    514.754  58.733  7.2809  63.045  7.6983  -4.312057      10.59600  
1 1 1 -18 76  14 o 55.736  5.3364  1787.91    318.209  1619.62    453.639  1950.92    446.478  50.808  8.5469  56.739  7.4449  -5.931236      11.33468  
1 1 1 -18 76  15 o 38.124  7.8828  910.130    314.750  566.351    415.786  1371.54    481.699  29.412  10.424  45.232  10.089  -15.82057      14.50660  
1 1 1 -18 76  16 o 21.696  8.1151  255.102    256.897  317.002    341.505  174.413    389.902  24.026  9.2690  22.371  9.4269  1.654354       13.22048  
1 1 1 -18 76  17 o 36.153  8.3637  841.852    320.991  446.802    477.761  1166.91    433.376  27.388  10.845  41.590  9.7842  -14.20224      14.60647  
1 1 1 -18 77  1  o 16.976  7.5898  -76.7872   285.852  -171.7719  399.034  23.337     409.689  19.044  8.6951  21.530  9.3759  -2.485783      12.78721  
1 1 1 -18 77  2  o 34.075  8.5418  715.798    314.647  672.150    435.081  763.656    455.583  32.655  10.680  34.490  10.898  -1.835056      15.25868  
1 1 1 -18 77  3  o 52.796  6.2222  1607.67    348.975  1860.36    477.926  1319.07    510.759  55.694  8.1654  45.250  10.606  10.44342       13.38525  
1 1 1 -18 77  4  o 24.826  5.9009  363.045    156.337  329.055    166.474  616.901    454.950  23.582  6.3683  31.561  10.924  -7.979061      12.64468  
1 1 1 -18 77  5  o 56.471  3.5062  1763.47    213.389  1624.29    232.830  2494.01    533.432  54.015  4.0083  64.814  7.7525  -10.79904      8.727427  
1 1 1 -18 77  6  o 59.578  4.2467  1981.71    272.242  1999.76    312.584  1925.03    554.021  59.564  4.8884  55.560  9.5507  4.003426       10.72904  
1 1 1 -18 77  7  o 27.161  6.2454  437.690    179.893  533.236    247.783  331.197    261.592  29.575  7.6704  24.095  8.2866  5.480074       11.29177  
1 1 1 -18 77  8  o 31.084  6.6886  576.720    218.508  561.204    334.855  588.226    288.364  29.992  9.3225  30.809  8.4073  -0.8167076     12.55357  
1 1 1 -18 77  9  o 56.920  5.1160  1838.30    312.036  1739.37    426.270  1952.52    458.008  54.002  7.4895  57.196  7.5801  -3.193165      10.65599  
1 1 1 -18 77  10 o 49.388  5.8497  1409.47    306.831  1523.77    410.602  1264.92    461.733  50.223  7.8014  44.330  9.8703  5.893482       12.58111  
1 1 1 -18 77  11 o 21.705  7.8653  252.838    238.150  345.135    309.594  119.073    372.710  24.731  8.9669  21.728  9.1895  3.002676       12.83951  
1 1 1 -18 77  12 o 21.150  7.9594  225.427    247.867  253.223    317.547  182.082    396.543  22.879  8.9068  23.019  9.5899  -0.1393833     13.08802  
1 1 1 -18 77  13 o 12.794  6.1187  -285.3611  239.733  -71.7989   300.323  -660.4581  398.013  17.200  7.7282  14.861  7.2845  2.339293       10.62025  
1 1 1 -18 77  14 o 32.973  8.3477  693.269    298.409  472.750    395.009  986.424    455.442  27.642  10.112  37.851  10.657  -10.20877      14.69123  
1 1 1 -18 77  15 o 65.842  5.0469  2484.96    357.175  2862.18    508.891  2118.71    501.436  69.100  6.8914  58.279  8.1682  10.82085       10.68693  
1 1 1 -18 77  16 o 35.757  8.4535  824.282    322.234  862.599    427.761  774.011    489.960  35.215  10.456  32.994  11.341  2.221817       15.42566  
1 1 1 -18 77  17 o 27.213  9.3128  477.119    330.263  704.566    449.359  209.928    487.039  31.755  10.863  24.254  10.389  7.501911       15.03117  
1 1 1 -18 78  1  o 37.035  10.761  896.095    457.359  0.0000     0.0000   896.095    457.359  ?       ?       37.035  10.761  0.000000       10.76139  
1 1 1 -18 78  2  o 15.681  7.6031  -576.6177  401.287  0.0000     0.0000   -576.6177  401.287  ?       ?       15.681  7.6031  0.000000       7.603096  
1 1 1 -18 78  3  o 23.449  9.9730  125.626    443.053  0.0000     0.0000   125.626    443.053  ?       ?       23.449  9.9730  0.000000       9.973025  
1 1 1 -18 78  4  o 37.730  11.077  939.261    482.363  0.0000     0.0000   939.261    482.363  ?       ?       37.730  11.077  0.000000       11.07699  
1 1 1 -18 78  5  o 32.858  2.1062  590.829    74.562   759.109    222.613  569.565    79.133   36.140  5.8900  32.229  2.2817  3.911064       6.316447  
1 1 1 -18 78  6  o 60.829  2.1905  2018.02    144.315  1572.61    297.232  2155.41    165.079  52.580  5.2911  62.815  2.4264  -10.23558      5.820939  
1 1 1 -18 78  7  o 36.863  6.0419  792.991    232.875  681.588    322.972  913.626    336.089  32.978  8.8552  38.527  8.2992  -5.549038      12.13637  
1 1 1 -18 78  8  o 17.936  7.3451  93.203     227.295  10.115     312.650  186.344    331.024  18.856  8.2011  22.091  8.9318  -3.235104      12.12584  
1 1 1 -18 78  9  o 24.805  7.9225  367.765    240.288  518.314    344.041  224.386    335.747  28.890  9.4998  22.801  9.0716  6.089628       13.13550  
1 1 1 -18 78  10 o 42.097  6.3651  1042.18    281.157  753.733    394.030  1341.38    401.301  33.983  10.021  46.726  8.2300  -12.74309      12.96765  
1 1 1 -18 78  11 o 41.727  6.6141  1033.32    288.953  931.368    398.818  1145.97    419.229  37.806  9.6937  42.244  9.4044  -4.437401      13.50592  
1 1 1 -18 78  12 o 39.885  6.7488  952.631    281.151  1070.31    368.983  789.725    434.127  41.223  8.5448  34.214  10.612  7.008606       13.62419  
1 1 1 -18 78  13 o 61.304  5.1849  2153.63    341.039  2539.31    454.341  1655.86    516.155  65.626  6.4765  50.305  9.8257  15.32084       11.76814  
1 1 1 -18 78  14 o 27.689  8.2225  485.775    264.518  198.215    369.806  787.037    378.514  22.534  9.3138  34.295  9.7363  -11.76079      13.47376  
1 1 1 -18 78  15 o 20.842  8.4074  183.650    292.559  -55.5391   387.104  502.240    446.759  19.422  8.7458  28.226  10.671  -8.804226      13.79733  
1 1 1 -18 78  16 o 29.833  8.5151  576.598    288.718  942.679    419.954  248.484    397.581  37.047  10.161  23.598  9.6949  13.44851       14.04403  
1 1 1 -18 79  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 79  7  o 15.190  6.4908  16.552     189.280  391.545    276.524  -314.0409  259.637  25.659  8.5207  13.320  6.3698  12.33898       10.63842  
1 1 1 -18 79  8  o 55.753  7.2273  1846.58    426.159  1846.58    426.159  0.0000     0.0000   55.753  7.2273  ?       ?       0.000000       7.227332  
1 1 1 -18 79  9  o 47.930  5.5938  1323.00    284.930  1645.17    376.105  889.042    436.514  52.853  6.7221  36.639  10.474  16.21473       12.44596  
1 1 1 -18 79  10 o 46.646  5.9296  1265.50    292.809  1141.73    413.584  1389.89    414.606  42.271  9.2871  47.403  8.3819  -5.132065      12.51021  
1 1 1 -18 79  11 o 45.039  6.3130  1195.08    299.500  999.761    415.844  1405.59    431.717  38.985  9.8458  47.286  8.7518  -8.300346      13.17324  
1 1 1 -18 79  12 o 21.362  8.0471  234.231    253.491  197.260    327.473  289.503    400.404  21.912  8.8753  24.593  9.8654  -2.680874      13.27015  
1 1 1 -18 79  13 o 15.472  6.9991  -86.6487   251.246  161.432    319.502  -488.6236  406.703  21.075  8.6784  16.148  7.7863  4.926266       11.65938  
1 1 1 -18 79  14 o 53.249  5.7746  1657.14    327.711  1594.74    432.237  1741.49    502.585  50.465  8.1886  51.809  9.2981  -1.344074      12.38983  
1 1 1 -18 79  15 o 51.552  5.8717  1559.00    322.005  1287.20    464.534  1810.38    446.754  43.721  10.024  54.058  7.8605  -10.33784      12.73826  
1 1 1 -18 80  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 80  9  o 59.276  7.7212  2120.59    483.948  0.0000     0.0000   2120.59    483.948  ?       ?       59.276  7.7212  0.000000       7.721200  
1 1 1 -18 80  10 o 16.193  7.1041  -16.7294   239.094  20.961     299.705  -82.7053   396.525  18.521  8.0425  19.604  8.8376  -1.082817      11.94926  
1 1 1 -18 80  11 o 26.478  8.4145  435.050    271.319  691.011    379.467  167.330    388.086  32.361  9.9020  22.551  9.4486  9.809868       13.68664  
1 1 1 -18 80  12 o 17.539  7.4616  51.774     248.132  22.859     320.706  94.897     391.656  18.982  8.2802  21.527  9.2705  -2.544256      12.42995  
1 1 1 -18 80  13 o 21.016  8.1368  215.161    263.897  180.877    340.932  266.404    416.813  21.748  8.9613  24.279  9.9451  -2.531134      13.38687  
1 1 1 -18 80  14 o 28.671  8.1144  522.590    263.334  399.631    369.471  649.541    375.421  25.979  9.7291  31.163  9.8974  -5.184132      13.87851  
1 1 1 -18 80  15 o 27.243  8.7905  474.172    295.255  282.212    386.806  742.163    457.033  24.046  9.6787  32.645  10.956  -8.598352      14.61916  
1 1 1 -18 81  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 81  12 o 32.315  10.504  708.353    421.089  0.0000     0.0000   708.353    421.089  ?       ?       32.315  10.504  0.000000       10.50428  
1 1 1 -18 81  13 o 47.955  9.6294  1508.32    482.782  0.0000     0.0000   1508.32    482.782  ?       ?       47.955  9.6294  0.000000       9.629448  
1 1 1 -18 81  14 o 50.826  9.4718  1685.28    502.234  0.0000     0.0000   1685.28    502.234  ?       ?       50.826  9.4718  0.000000       9.471831  
1 1 1 -18 82  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 82  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 83  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 84  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 85  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 86  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 87  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 88  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 88  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 88  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 88  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -18 88  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   2  f 107.806 5.8743  6357.27    681.257  6357.27    681.257  6357.27    681.257  107.806 5.8743  107.806 5.8743  -0.000000      0.000000  
1 1 1 -17 0   3  o 51.984  6.9810  1542.99    373.148  1542.99    373.148  1542.99    373.148  51.984  6.9810  51.984  6.9810  0.000000       0.000000  
1 1 1 -17 0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   7  o 295.829 7.4893  47585.48   2396.20  47585.48   2396.20  47585.48   2396.20  295.829 7.4893  295.829 7.4893  -0.000000      0.000000  
1 1 1 -17 0   8  o 59.860  5.3313  1988.39    339.348  1988.39    339.348  1988.39    339.348  59.860  5.3313  59.860  5.3313  -0.000000      0.000000  
1 1 1 -17 0   9  o 96.457  4.1375  5069.80    430.442  5069.80    430.442  5069.80    430.442  96.457  4.1375  96.457  4.1375  -0.000000      0.000000  
1 1 1 -17 0   10 o 40.182  5.9144  930.586    241.047  930.586    241.047  930.586    241.047  40.182  5.9144  40.182  5.9144  0.000000       0.000000  
1 1 1 -17 0   11 o 67.159  4.1294  2472.02    297.770  2472.02    297.770  2472.02    297.770  67.159  4.1294  67.159  4.1294  -0.000000      0.000000  
1 1 1 -17 0   12 o 147.026 4.6631  11754.11   740.889  11754.11   740.889  11754.11   740.889  147.026 4.6631  147.026 4.6631  0.000000       0.000000  
1 1 1 -17 0   13 o 146.305 4.6303  11639.86   732.071  11639.86   732.071  11639.86   732.071  146.305 4.6303  146.305 4.6303  -0.000000      0.000000  
1 1 1 -17 0   14 o 165.410 5.0263  14879.71   898.605  14879.71   898.605  14879.71   898.605  165.410 5.0263  165.410 5.0263  0.000000       0.000000  
1 1 1 -17 0   15 o 313.526 7.8234  53549.03   2652.95  53549.03   2652.95  53549.03   2652.95  313.526 7.8234  313.526 7.8234  -0.000000      0.000000  
1 1 1 -17 0   16 o 143.301 4.6705  11174.95   723.166  11174.95   723.166  11174.95   723.166  143.301 4.6705  143.301 4.6705  0.000000       0.000000  
1 1 1 -17 0   17 o 138.469 4.9094  10446.24   734.203  10446.24   734.203  10446.24   734.203  138.469 4.9094  138.469 4.9094  0.000000       0.000000  
1 1 1 -17 0   18 o 49.880  5.1578  1394.19    271.826  1394.19    271.826  1394.19    271.826  49.880  5.1578  49.880  5.1578  -0.000000      0.000000  
1 1 1 -17 0   19 o 16.843  9.0444  222.007    227.340  222.007    227.340  222.007    227.340  16.843  9.0444  16.843  9.0444  0.000000       0.000000  
1 1 1 -17 0   20 o 63.026  4.6736  2195.33    315.008  2195.33    315.008  2195.33    315.008  63.026  4.6736  63.026  4.6736  -0.000000      0.000000  
1 1 1 -17 0   21 o 59.917  4.8480  1992.53    309.876  1992.53    309.876  1992.53    309.876  59.917  4.8480  59.917  4.8480  -0.000000      0.000000  
1 1 1 -17 0   22 o 20.307  10.219  337.643    277.090  337.643    277.090  337.643    277.090  20.307  10.219  20.307  10.219  0.000000       0.000000  
1 1 1 -17 0   23 o 19.978  10.505  326.287    301.307  326.287    301.307  326.287    301.307  19.978  10.505  19.978  10.505  -0.000000      0.000000  
1 1 1 -17 0   24 o 51.773  6.5221  1541.17    349.961  1541.17    349.961  1541.17    349.961  51.773  6.5221  51.773  6.5221  -0.000000      0.000000  
1 1 1 -17 0   25 o 91.370  4.8629  4608.23    478.137  4608.23    478.137  4608.23    478.137  91.370  4.8629  91.370  4.8629  -0.000000      0.000000  
1 1 1 -17 0   26 o 53.554  2.7537  1571.88    158.766  1571.88    158.766  1571.88    158.766  53.554  2.7537  53.554  2.7537  0.000000       0.000000  
1 1 1 -17 0   27 o 62.519  5.6127  2209.00    373.020  2209.00    373.020  2209.00    373.020  62.519  5.6127  62.519  5.6127  -0.000000      0.000000  
1 1 1 -17 0   28 o 50.485  6.8262  1499.03    354.040  1499.03    354.040  1499.03    354.040  50.485  6.8262  50.485  6.8262  0.000000       0.000000  
1 1 1 -17 0   29 o 45.096  2.2612  1115.50    109.812  1115.50    109.812  1115.50    109.812  45.096  2.2612  45.096  2.2612  -0.000000      0.000000  
1 1 1 -17 0   30 o 12.255  8.3252  -113.9439  334.027  -113.9439  334.027  -113.9439  334.027  12.255  8.3252  12.255  8.3252  -0.000000      0.000000  
1 1 1 -17 0   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 1   1  f 384.616 9.2798  80589.85   3865.77  80589.85   3865.77  0.0000     0.0000   384.616 9.2798  ?       ?       0.000000       9.279796  
1 1 1 -17 1   2  o 450.968 15.414  111946.20  7528.73  111946.20  7528.73  0.0000     0.0000   450.968 15.414  ?       ?       0.000000       15.41367  
1 1 1 -17 1   3  o 116.700 6.0597  7413.93    763.295  0.0000     0.0000   7413.93    763.295  ?       ?       116.700 6.0597  0.000000       6.059672  
1 1 1 -17 1   4  o 79.336  6.5774  3442.26    560.089  0.0000     0.0000   3442.26    560.089  ?       ?       79.336  6.5774  0.000000       6.577390  
1 1 1 -17 1   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 1   6  o 104.157 4.3148  5883.17    486.768  6945.83    743.660  5086.58    643.862  112.932 6.1024  96.583  6.1875  16.34960       8.690473  
1 1 1 -17 1   7  o 91.717  4.4740  4562.48    444.441  5188.91    696.441  4132.09    577.269  97.499  6.6344  87.008  6.1655  10.49066       9.056998  
1 1 1 -17 1   8  f 191.518 3.7406  19885.42   775.921  19929.28   1088.58  19840.13   1106.27  191.627 5.2449  191.190 5.3423  0.4368591      7.486545  
1 1 1 -17 1   9  o 250.648 4.5667  34080.55   1239.77  32708.61   1746.25  35474.87   1760.43  245.327 6.5719  255.519 6.3610  -10.19186      9.146130  
1 1 1 -17 1   10 o 107.698 2.9746  6286.17    346.978  6500.27    475.283  6041.85    507.725  109.483 4.0081  105.535 4.4418  3.947624       5.982825  
1 1 1 -17 1   11 o 20.603  6.1933  232.470    149.395  219.579    232.462  241.541    194.995  21.791  7.7864  21.624  7.1539  0.1666088      10.57386  
1 1 1 -17 1   12 o 294.107 5.2224  46967.09   1663.59  46979.99   1921.51  46928.47   3324.29  294.018 6.0339  292.822 10.482  1.195587       12.09423  
1 1 1 -17 1   13 o 280.148 5.0154  42616.18   1521.82  42406.11   2150.77  42826.80   2153.59  279.080 7.1153  280.466 7.0895  -1.386353      10.04431  
1 1 1 -17 1   14 o 368.277 6.2993  73787.09   2512.69  73771.34   3552.70  73802.85   3554.25  367.390 8.9281  367.468 8.9301  -0.7772827E-01 12.62772  
1 1 1 -17 1   15 o 295.475 5.2231  47451.84   1671.55  45794.90   2362.26  49113.45   2365.60  289.707 7.5283  300.094 7.2780  -10.38669      10.47120  
1 1 1 -17 1   16 o 156.862 3.4056  13349.27   578.612  13088.57   821.427  13606.00   815.173  155.175 4.8874  158.228 4.7566  -3.052979      6.819934  
1 1 1 -17 1   17 o 159.980 3.4285  13891.03   594.076  13919.27   840.144  13862.79   840.157  159.964 4.8491  159.638 4.8591  0.3263245      6.864716  
1 1 1 -17 1   18 o 128.903 3.1318  9019.69    437.248  9041.51    619.708  8998.07    617.026  128.906 4.4386  128.598 4.4300  0.3088684      6.271000  
1 1 1 -17 1   19 o 23.593  1.6839  303.245    42.748   491.512    235.288  296.818    43.472   29.322  7.4065  23.337  1.7323  5.985003       7.606360  
1 1 1 -17 1   20 o 103.628 2.8912  5834.35    324.508  6211.38    474.614  5503.36    444.691  106.749 4.1049  100.484 4.0859  6.265060       5.791836  
1 1 1 -17 1   21 o 91.835  3.0178  4586.84    300.166  4424.60    424.737  4748.72    424.260  89.988  4.3578  93.255  4.2004  -3.267090      6.052580  
1 1 1 -17 1   22 o 111.215 3.1771  6735.54    382.708  6712.84    541.395  6758.21    541.066  110.716 4.5147  111.095 4.4966  -0.3785095     6.372002  
1 1 1 -17 1   23 o 15.625  6.7243  -8.2269    205.774  -67.0614   292.918  49.099     289.137  17.707  7.8123  19.386  8.1407  -1.679701      11.28286  
1 1 1 -17 1   24 o 50.851  2.4307  1406.73    133.872  1450.31    349.393  1399.23    144.933  50.547  6.5349  50.625  2.6525  -0.7829285E-01 7.052731  
1 1 1 -17 1   25 o 35.025  6.3279  707.736    231.217  494.749    329.315  914.812    324.713  29.108  9.2724  39.376  7.8886  -10.26836      12.17403  
1 1 1 -17 1   26 o 33.097  1.4426  594.573    51.715   289.736    303.867  603.666    52.481   24.010  8.8562  33.348  1.4530  -9.338505      8.974644  
1 1 1 -17 1   27 f 19.834  7.3769  187.785    211.697  60.438     300.973  312.478    297.822  19.487  8.2506  24.242  8.7940  -4.755610      12.05851  
1 1 1 -17 1   28 o 21.995  7.6533  268.675    223.447  167.373    322.283  362.447    310.073  21.580  8.7813  25.245  8.9957  -3.664942      12.57115  
1 1 1 -17 1   29 o 11.682  3.5763  76.287     49.492   610.546    279.632  59.010     50.286   30.865  8.2185  10.669  3.6340  20.19522       8.986084  
1 1 1 -17 1   30 o 20.773  7.9672  236.050    251.278  398.236    371.402  99.143     341.232  25.103  9.6715  19.895  8.6102  5.208891       12.94886  
1 1 1 -17 1   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 2   1  o 121.104 4.2524  7952.45    557.782  7952.45    557.782  0.0000     0.0000   121.104 4.2524  ?       ?       0.000000       4.252418  
1 1 1 -17 2   2  o 184.233 7.4043  18450.98   1477.47  18450.98   1477.47  0.0000     0.0000   184.233 7.4043  ?       ?       0.000000       7.404277  
1 1 1 -17 2   3  o 146.007 6.6572  11580.48   1052.78  0.0000     0.0000   11580.48   1052.78  ?       ?       146.007 6.6572  0.000000       6.657190  
1 1 1 -17 2   4  o 269.944 9.7957  39729.13   2864.06  0.0000     0.0000   39729.13   2864.06  ?       ?       269.944 9.7957  0.000000       9.795742  
1 1 1 -17 2   5  o 136.404 3.6780  10085.93   543.382  11174.24   944.790  9548.00    664.234  143.455 6.0806  132.680 4.6222  10.77521       7.637974  
1 1 1 -17 2   6  o 333.486 8.1691  60524.65   2950.68  63133.73   4177.73  57927.63   4168.06  339.823 11.351  325.379 11.827  14.44400       16.39244  
1 1 1 -17 2   7  o 178.514 5.0971  17291.88   985.516  16659.44   1392.69  17926.21   1394.78  175.034 7.3462  181.592 7.0915  -6.558105      10.21056  
1 1 1 -17 2   8  o 196.735 5.4680  21009.81   1165.14  20564.50   1655.84  21446.54   1639.80  194.395 7.8644  198.549 7.6252  -4.153946      10.95411  
1 1 1 -17 2   9  o 81.934  3.0198  3638.22    267.985  3784.49    377.610  3489.79    380.383  83.536  4.1735  80.091  4.4019  3.445320       6.065845  
1 1 1 -17 2   10 o 243.823 4.4538  32249.86   1176.20  31524.65   1661.10  32979.07   1665.69  240.853 6.3676  246.363 6.2424  -5.509964      8.917008  
1 1 1 -17 2   11 o 252.601 4.5733  34619.68   1251.22  34039.36   1760.85  35211.54   1778.26  250.236 6.4968  254.515 6.4507  -4.278854      9.155374  
1 1 1 -17 2   12 o 147.958 3.3153  11867.99   531.284  11732.67   616.823  12256.91   1045.71  147.083 3.8719  150.142 6.4304  -3.058929      7.506136  
1 1 1 -17 2   13 o 133.118 3.1469  9606.64    453.722  9301.95    644.802  9905.47    638.565  130.915 4.5474  135.107 4.3637  -4.191940      6.302477  
1 1 1 -17 2   14 o 67.195  3.1531  2448.02    229.479  2184.91    324.644  2710.77    324.421  63.256  4.7736  70.547  4.2658  -7.291355      6.401939  
1 1 1 -17 2   15 o 62.120  3.3155  2098.82    222.270  1701.26    305.723  2544.58    323.725  55.718  5.1233  68.318  4.3983  -12.60008      6.752281  
1 1 1 -17 2   16 f 65.015  3.1401  2292.64    221.123  1765.72    311.462  2828.12    313.984  56.757  5.1218  72.061  4.0391  -15.30465      6.522837  
1 1 1 -17 2   17 o 60.317  3.2446  1979.86    211.189  1897.88    297.938  2062.65    299.401  58.889  4.7106  61.430  4.5319  -2.541363      6.536614  
1 1 1 -17 2   18 o 87.001  2.9807  4107.91    280.874  4016.03    400.832  4196.56    393.695  85.814  4.3265  87.848  4.1377  -2.034210      5.986557  
1 1 1 -17 2   19 o 66.410  3.1325  2395.55    225.317  2058.34    323.274  2714.12    314.212  61.233  4.9158  70.491  4.1335  -9.258129      6.422676  
1 1 1 -17 2   20 o 65.066  3.2229  2301.94    227.131  2651.85    322.841  1959.01    319.607  69.597  4.3039  59.655  4.9925  9.942623       6.591533  
1 1 1 -17 2   21 o 141.505 3.2618  10898.34   499.917  11435.24   707.916  10364.24   706.067  144.617 4.5195  137.614 4.7371  7.003433       6.547221  
1 1 1 -17 2   22 o 62.470  3.6670  2136.22    247.029  2166.90    350.561  2105.96    348.155  62.580  5.2196  61.677  5.2620  0.9031029      7.411674  
1 1 1 -17 2   23 o 78.426  3.4063  3356.70    289.347  3113.72    399.973  3623.48    419.092  75.060  4.9476  81.042  4.7958  -5.982468      6.890492  
1 1 1 -17 2   24 o 64.827  3.7640  2308.30    263.149  2414.15    386.803  2217.09    359.044  65.796  5.4775  63.093  5.3032  2.703110       7.624126  
1 1 1 -17 2   25 o 43.639  5.0037  1067.92    232.233  1314.27    344.701  863.164    314.259  47.816  6.8516  38.236  7.8513  9.580711       10.42050  
1 1 1 -17 2   26 o 47.808  4.3298  1272.94    221.770  1233.60    334.012  1303.95    296.574  46.110  6.9002  47.866  5.8418  -1.756264      9.040942  
1 1 1 -17 2   27 o 52.923  4.4608  1565.93    253.317  2159.01    352.201  930.314    364.609  61.820  5.3117  38.866  8.8586  22.95383       10.32899  
1 1 1 -17 2   28 o 44.431  5.3498  1130.33    252.274  1279.96    383.323  1016.00    335.066  45.901  8.0012  40.870  7.8547  5.031162       11.21228  
1 1 1 -17 2   29 f 70.032  2.9359  2704.68    222.693  2944.11    425.413  2614.30    261.364  71.257  5.5560  68.491  3.5353  2.765404       6.585356  
1 1 1 -17 2   30 o 28.126  1.8161  434.115    55.030   433.475    55.732   459.033    347.739  28.100  1.8413  26.187  9.5020  1.912859       9.678780  
1 1 1 -17 2   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 2   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 3   1  o 29.740  8.8471  487.376    306.032  487.376    306.032  0.0000     0.0000   29.740  8.8471  ?       ?       0.000000       8.847118  
1 1 1 -17 3   2  o 179.347 7.3348  17484.20   1424.80  17484.20   1424.80  0.0000     0.0000   179.347 7.3348  ?       ?       0.000000       7.334821  
1 1 1 -17 3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 3   4  o 176.805 4.1945  16949.88   803.238  16334.47   1390.45  17258.11   984.045  173.339 7.4061  178.353 5.0941  -5.014206      8.988883  
1 1 1 -17 3   5  o 61.914  3.2367  2083.16    216.298  2056.71    301.488  2111.21    310.495  61.412  4.5653  62.217  4.6410  -0.8057175     6.510011  
1 1 1 -17 3   6  o 361.316 7.1862  70969.60   2812.25  68774.23   4866.52  72070.30   3445.87  354.259 12.683  363.774 8.7458  -9.514740      15.40619  
1 1 1 -17 3   7  o 261.174 6.6829  37065.58   1890.44  38361.37   2676.24  35775.10   2670.74  265.277 9.3144  256.122 9.6275  9.155670       13.39579  
1 1 1 -17 3   8  o 227.607 5.9806  28134.04   1474.35  25759.54   2080.90  30527.56   2089.22  217.429 8.8362  236.807 8.1455  -19.37767      12.01781  
1 1 1 -17 3   9  o 101.775 4.0295  5616.98    444.182  6116.99    638.820  5148.98    618.033  105.998 5.5840  97.192  5.8989  8.805550       8.122678  
1 1 1 -17 3   10 o 191.717 3.7938  19929.46   787.786  18808.86   1102.43  21098.77   1126.14  186.125 5.4686  197.148 5.2739  -11.02238      7.597335  
1 1 1 -17 3   11 o 125.581 3.1607  8548.22    429.908  8366.06    502.452  9045.97    830.572  124.213 3.7347  129.039 5.9428  -4.825195      7.018852  
1 1 1 -17 3   12 o 85.113  2.9934  3926.57    275.951  3947.87    327.248  3874.17    513.375  85.329  3.5409  84.261  5.6580  1.067909       6.674644  
1 1 1 -17 3   13 o 350.122 5.4221  66594.53   2056.16  67031.73   2655.44  65939.92   3249.33  350.907 6.9867  347.564 8.6316  3.343170       11.10487  
1 1 1 -17 3   14 o 554.471 9.2591  168151.41  5560.53  157920.30  7862.72  178387.91  7864.84  534.310 13.587  568.575 12.771  -34.26556      18.64667  
1 1 1 -17 3   15 o 178.190 3.6343  17225.47   701.404  16678.02   991.706  17773.43   992.166  175.171 5.2270  180.852 5.0651  -5.681183      7.278531  
1 1 1 -17 3   16 o 109.419 2.9989  6492.80    355.406  6550.73    502.470  6434.81    502.771  109.830 4.2240  108.851 4.2645  0.9789963      6.002306  
1 1 1 -17 3   17 o 62.524  3.2224  2126.89    217.480  1737.51    309.144  2508.41    306.007  56.272  5.1285  67.817  4.1865  -11.54469      6.620338  
1 1 1 -17 3   18 o 67.195  3.2309  2451.38    235.145  1797.61    345.324  3016.59    321.087  57.120  5.6560  74.384  4.0001  -17.26365      6.927598  
1 1 1 -17 3   19 o 68.836  3.1931  2574.07    238.069  2361.54    350.529  2756.05    324.354  65.605  4.9700  71.019  4.2360  -5.414879      6.530267  
1 1 1 -17 3   20 o 138.311 3.2345  10401.98   484.539  10252.85   687.066  10549.54   683.432  137.025 4.6294  139.016 4.5390  -1.990677      6.483394  
1 1 1 -17 3   21 o 47.098  3.8509  1217.61    194.726  1048.45    276.207  1384.77    274.568  43.227  6.0665  50.002  5.1432  -6.774757      7.953274  
1 1 1 -17 3   22 o 176.557 3.6863  17008.12   704.926  16085.52   995.117  17937.41   998.724  170.988 5.3733  180.701 5.1029  -9.713760      7.410223  
1 1 1 -17 3   23 o 65.319  3.7269  2339.39    262.572  2033.54    363.499  2673.10    379.696  60.399  5.6211  69.483  5.0805  -9.084309      7.576818  
1 1 1 -17 3   24 o 66.372  3.7368  2418.86    267.536  2600.86    394.745  2264.24    363.847  68.343  5.3762  63.760  5.3172  4.583042       7.561479  
1 1 1 -17 3   25 o 56.921  2.6105  1765.71    160.940  1699.83    181.890  2003.32    345.415  55.709  3.0258  59.798  5.3911  -4.089237      6.182205  
1 1 1 -17 3   26 o 61.627  3.8500  2098.03    255.696  2050.13    366.479  2143.47    356.928  60.226  5.6854  61.719  5.3936  -1.492901      7.836736  
1 1 1 -17 3   27 o 43.911  5.2364  1094.73    244.135  1057.89    343.481  1132.33    347.066  42.022  7.8350  43.613  7.6249  -1.591511      10.93279  
1 1 1 -17 3   28 o 36.064  6.2342  764.321    234.705  490.825    346.125  997.122    319.337  28.331  9.5346  40.649  7.5306  -12.31824      12.14983  
1 1 1 -17 3   29 o 10.563  2.9418  63.348     34.902   62.670     34.992   194.600    487.092  10.513  2.9519  24.177  10.374  -13.66430      10.78564  
1 1 1 -17 3   30 o 49.893  2.3705  1369.33    128.101  1400.33    136.477  1139.77    371.385  50.411  2.4996  41.365  8.5711  9.045586       8.928090  
1 1 1 -17 3   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 3   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 4   1  o 286.603 7.1789  44643.59   2228.48  42363.00   3149.20  46930.96   3153.88  278.633 10.435  293.376 9.9255  -14.74310      14.40163  
1 1 1 -17 4   2  o 166.259 6.8942  15019.01   1241.48  15019.01   1241.48  0.0000     0.0000   166.259 6.8942  ?       ?       0.000000       6.894234  
1 1 1 -17 4   3  o 172.276 4.0431  16091.03   754.404  15521.89   919.896  17260.02   1318.37  169.149 5.0211  178.236 6.8292  -9.086426      8.476418  
1 1 1 -17 4   4  o 413.916 8.0705  93208.61   3618.11  103236.50  6269.98  88202.41   4430.12  433.898 13.342  402.107 10.172  31.79111       16.77701  
1 1 1 -17 4   5  o 242.152 5.1020  31814.58   1338.14  28577.85   2306.65  33456.43   1642.84  229.007 9.2996  248.221 6.1106  -19.21333      11.12751  
1 1 1 -17 4   6  o 163.076 3.4765  14414.91   614.041  13240.97   860.664  15631.95   876.319  156.215 5.0868  169.754 4.7662  -13.53908      6.970774  
1 1 1 -17 4   7  o 129.224 3.6760  9052.61    514.511  8650.19    873.303  9266.54    636.756  126.024 6.4192  130.709 4.4978  -4.684303      7.838117  
1 1 1 -17 4   8  o 156.682 4.7440  13318.32   805.064  12412.79   1137.56  14226.96   1139.51  151.108 6.9505  161.813 6.5018  -10.70445      9.517502  
1 1 1 -17 4   9  o 170.270 5.0260  15733.23   926.901  15173.82   1322.22  16273.78   1299.74  167.023 7.3090  173.009 6.9362  -5.985458      10.07627  
1 1 1 -17 4   10 o 92.019  4.2200  4592.56    420.590  5458.81    618.045  3845.38    574.003  100.096 5.7245  83.881  6.3655  16.21519       8.560951  
1 1 1 -17 4   11 o 305.772 6.2237  50809.87   2061.19  51172.45   2525.97  50087.34   3565.75  306.597 7.6066  302.509 10.883  4.088562       13.27767  
1 1 1 -17 4   12 o 273.209 4.9366  40519.13   1460.80  40697.74   1688.67  39988.07   2911.85  273.703 5.6963  270.437 9.9411  3.266296       11.45743  
1 1 1 -17 4   13 o 194.750 3.8334  20572.01   808.596  20943.18   937.348  19492.43   1598.60  196.449 4.4054  189.104 7.8050  7.345352       8.962395  
1 1 1 -17 4   14 o 183.633 3.6944  18290.69   734.785  17480.18   1038.55  19103.04   1039.74  179.363 5.3460  187.530 5.1190  -8.167099      7.401565  
1 1 1 -17 4   15 o 290.184 5.1606  45765.10   1621.96  44132.45   2293.39  47398.90   2294.20  284.414 7.4449  294.826 7.1845  -10.41232      10.34615  
1 1 1 -17 4   16 o 146.318 3.2816  11613.69   520.055  11645.78   735.419  11581.59   735.520  146.397 4.6380  145.992 4.6515  0.4054260      6.568694  
1 1 1 -17 4   17 o 156.875 3.3968  13356.94   577.161  13091.91   817.998  13619.68   814.471  155.131 4.8684  158.244 4.7520  -3.112900      6.803148  
1 1 1 -17 4   18 o 89.545  2.7989  4350.60    271.455  4368.96    427.504  4338.20    351.384  89.608  4.4048  89.359  3.6305  0.2486420      5.708142  
1 1 1 -17 4   19 o 106.175 3.0303  6122.25    348.480  6081.81    503.644  6159.39    482.675  105.659 4.4009  106.360 4.1899  -0.7012787     6.076479  
1 1 1 -17 4   20 o 67.327  3.1401  2464.26    228.982  2575.09    330.459  2361.90    317.584  68.546  4.4756  65.632  4.4947  2.914383       6.342998  
1 1 1 -17 4   21 o 102.240 3.0583  5686.01    338.671  5351.57    474.917  6032.06    483.093  98.948  4.4314  105.091 4.2442  -6.142914      6.136011  
1 1 1 -17 4   22 o 103.112 3.1471  5789.38    351.467  5734.31    494.624  5845.53    499.510  102.339 4.4624  103.326 4.4634  -0.9874649     6.311455  
1 1 1 -17 4   23 o 162.096 3.7587  14364.19   659.912  13835.79   893.141  14999.48   979.312  158.406 5.2057  164.769 5.4875  -6.363586      7.563867  
1 1 1 -17 4   24 o 73.642  3.4638  2964.30    276.282  2698.49    395.160  3218.49    386.429  69.654  5.2771  76.303  4.6987  -6.649124      7.065817  
1 1 1 -17 4   25 o 108.995 3.2422  6496.43    382.746  6535.65    544.532  6458.14    538.095  108.782 4.6216  108.148 4.5938  0.6343689      6.516307  
1 1 1 -17 4   26 o 31.257  6.5680  572.764    215.293  469.648    310.866  667.810    298.453  28.210  9.0113  33.253  8.3099  -5.042509      12.25798  
1 1 1 -17 4   27 o 71.678  3.7791  2841.25    292.352  2788.94    438.529  2883.10    392.231  70.023  5.8352  71.609  5.0903  -1.585350      7.743462  
1 1 1 -17 4   28 o 36.700  6.1416  789.400    235.503  977.453    348.136  630.743    319.771  39.788  8.3449  31.657  8.9356  8.130589       12.22626  
1 1 1 -17 4   29 o 48.504  2.2529  1287.93    118.354  1307.68    126.162  1143.03    341.737  48.843  2.3848  42.917  7.6315  5.926231       7.995460  
1 1 1 -17 4   30 o 27.823  1.9302  425.587    57.808   425.568    58.573   426.305    358.666  27.817  1.9566  25.561  9.5832  2.256044       9.780895  
1 1 1 -17 4   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 4   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 5   1  o 86.357  3.9838  4043.11    372.615  4168.54    513.513  3903.64    541.517  87.476  5.4469  84.590  5.9484  2.886398       8.065489  
1 1 1 -17 5   2  o 119.755 3.0188  7771.40    391.557  7484.42    549.873  8066.62    557.700  117.483 4.3213  121.971 4.2216  -4.487450      6.041146  
1 1 1 -17 5   3  o 23.650  6.5295  312.967    172.752  314.689    201.287  308.150    336.583  23.958  7.1860  26.003  9.3611  -2.045258      11.80119  
1 1 1 -17 5   4  o 138.855 4.4285  10455.94   666.024  9929.51    939.924  10986.82   943.889  135.211 6.4182  142.246 6.1265  -7.035004      8.872787  
1 1 1 -17 5   5  o 158.375 3.9371  13598.76   675.358  12855.87   1158.46  13981.23   831.222  153.806 6.9540  160.544 4.7803  -6.737930      8.438574  
1 1 1 -17 5   6  o 168.250 3.5719  15344.80   650.910  14823.11   915.123  15878.99   926.026  165.283 5.1119  171.076 4.9976  -5.792816      7.148977  
1 1 1 -17 5   7  o 153.122 3.3345  12708.23   553.025  12191.40   769.729  13259.66   795.078  149.911 4.7406  156.344 4.6952  -6.432571      6.672226  
1 1 1 -17 5   8  o 204.337 3.9272  22639.34   869.160  21296.19   1219.59  24025.56   1239.00  198.051 5.6855  210.383 5.4374  -12.33173      7.867007  
1 1 1 -17 5   9  o 63.331  4.2122  2184.80    287.281  1902.93    420.323  2431.91    393.552  58.790  6.7218  66.704  5.4962  -7.914738      8.682806  
1 1 1 -17 5   10 o 337.468 8.3257  62042.20   3043.14  61395.65   4305.65  62687.54   4301.65  334.680 11.878  338.229 11.742  -3.548859      16.70229  
1 1 1 -17 5   11 o 293.266 7.4199  46808.14   2356.84  44215.46   3336.09  49391.51   3330.08  284.232 10.837  300.580 10.229  -16.34866      14.90171  
1 1 1 -17 5   12 o 209.371 5.7255  23815.58   1298.37  23104.68   1843.69  24515.03   1828.76  205.866 8.2686  212.107 7.9603  -6.241653      11.47765  
1 1 1 -17 5   13 o 147.707 3.3422  11829.41   534.699  12100.06   623.173  11074.07   1041.07  149.357 3.8522  142.651 6.7381  6.706482       7.761510  
1 1 1 -17 5   14 o 146.314 3.2287  11607.57   511.666  13378.96   734.369  9936.35    713.302  157.007 4.3184  135.268 4.8687  21.73946       6.507894  
1 1 1 -17 5   15 o 176.745 3.5929  16946.87   687.804  17904.17   978.609  16012.35   966.899  181.523 4.9774  171.639 5.2011  9.884140       7.199046  
1 1 1 -17 5   16 o 72.777  3.0706  2872.63    242.039  2497.03    343.850  3241.51    340.760  67.621  4.7245  77.157  4.0922  -9.535866      6.250356  
1 1 1 -17 5   17 o 66.792  3.2862  2421.00    237.734  2683.49    341.568  2174.37    331.092  70.111  4.5221  63.033  4.8879  7.078232       6.658918  
1 1 1 -17 5   18 o 204.011 3.9450  22625.54   871.712  23669.54   1238.05  21599.11   1227.59  208.295 5.4877  198.920 5.6978  9.375259       7.910711  
1 1 1 -17 5   19 o 130.834 3.2047  9299.46    454.129  9513.95    640.958  9083.24    643.521  132.135 4.4786  129.087 4.6027  3.047974       6.422050  
1 1 1 -17 5   20 o 75.198  3.0320  3073.41    246.947  3780.92    356.691  2422.09    342.230  83.300  3.9534  66.410  4.7901  16.89065       6.210819  
1 1 1 -17 5   21 o 124.214 3.1671  8395.59    426.095  8535.32    607.871  8260.62    597.442  124.943 4.4919  122.917 4.4876  2.025887       6.349455  
1 1 1 -17 5   22 o 69.533  2.6912  2628.87    202.678  2595.12    243.730  2704.51    364.911  69.021  3.2603  70.053  4.8390  -1.032585      5.834885  
1 1 1 -17 5   23 o 76.934  3.3791  3230.02    281.573  3247.32    402.628  3213.46    393.923  76.678  4.8733  76.301  4.7909  0.3775406      6.833891  
1 1 1 -17 5   24 o 67.488  3.5995  2498.32    262.164  2051.49    375.008  2925.44    366.644  60.507  5.7930  72.737  4.6787  -12.23030      7.446465  
1 1 1 -17 5   25 o 11.900  5.6452  -227.2260  195.798  69.510     281.524  -505.2402  272.498  19.349  8.0722  12.363  6.0531  6.985895       10.08965  
1 1 1 -17 5   26 o 49.629  4.4961  1374.02    239.059  1273.65    347.734  1463.98    329.189  46.778  7.0852  50.632  6.1275  -3.853485      9.367290  
1 1 1 -17 5   27 o 48.845  4.8322  1342.88    252.291  1138.93    386.151  1494.79    333.252  43.267  8.5433  50.983  6.1599  -7.716118      10.53244  
1 1 1 -17 5   28 o 29.361  7.4494  525.864    237.275  475.345    340.396  573.610    330.919  27.947  9.4551  30.208  9.2475  -2.260553      13.22559  
1 1 1 -17 5   29 o 6.2097  2.8444  -29.3083   43.159   -43.4599   43.585   684.445    309.532  5.8424  2.7380  32.424  8.6529  -26.58207      9.075713  
1 1 1 -17 5   30 o 9.4144  2.7036  50.140     29.020   49.320     29.074   269.661    475.713  9.3478  2.7124  24.075  10.289  -14.72745      10.64039  
1 1 1 -17 5   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 5   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 6   1  o 162.075 3.4289  14237.31   601.919  14002.04   848.750  14475.36   853.755  160.662 4.8775  163.358 4.8253  -2.695786      6.860987  
1 1 1 -17 6   2  o 122.243 3.0119  8097.76    398.788  7947.49    557.211  8255.55    570.984  121.066 4.2494  123.389 4.2725  -2.323212      6.025888  
1 1 1 -17 6   3  o 115.661 3.3443  7250.25    418.948  7914.76    513.759  5931.34    723.798  120.827 3.9258  104.305 6.4383  16.52172       7.540764  
1 1 1 -17 6   4  o 71.380  3.2849  2761.36    253.958  2654.38    313.109  2967.05    434.167  69.844  4.1578  73.738  5.4752  -3.894608      6.875017  
1 1 1 -17 6   5  o 205.958 4.6301  23007.57   1032.85  22622.43   1777.40  23203.93   1269.13  203.907 8.0479  206.755 5.6673  -2.847763      9.843149  
1 1 1 -17 6   6  o 244.037 4.4754  32299.74   1182.93  31886.02   1668.37  32717.99   1677.49  242.285 6.3576  245.430 6.3105  -3.145950      8.957767  
1 1 1 -17 6   7  o 146.548 3.2510  11639.92   516.021  10433.09   715.938  12944.70   744.424  138.678 4.7665  154.489 4.4489  -15.81039      6.520113  
1 1 1 -17 6   8  o 300.847 5.2849  49123.89   1722.08  47706.47   2431.04  50551.50   2439.77  296.130 7.5795  304.866 7.3887  -8.736481      10.58498  
1 1 1 -17 6   9  f 262.448 4.7640  37371.45   1354.21  35652.16   1909.83  39110.02   1920.50  256.079 6.8857  268.251 6.6100  -12.17215      9.544928  
1 1 1 -17 6   10 o 187.999 5.2060  19185.26   1060.06  20896.87   1513.31  17536.23   1485.38  196.007 7.1283  179.497 7.6403  16.50955       10.44929  
1 1 1 -17 6   11 f 312.707 7.8925  53255.73   2673.16  49639.11   3786.12  56850.65   3774.75  300.917 11.617  322.295 10.813  -21.37811      15.87058  
1 1 1 -17 6   12 o 228.527 6.0878  28385.32   1506.84  27727.09   2137.52  29035.58   2124.54  225.426 8.7546  230.733 8.5013  -5.306961      12.20305  
1 1 1 -17 6   13 o 259.706 6.7251  36704.95   1891.68  35283.11   2678.72  38119.43   2671.77  253.948 9.7390  264.065 9.3415  -10.11714      13.49487  
1 1 1 -17 6   14 o 127.249 2.8269  8777.17    389.617  8798.00    516.641  8749.70    593.277  127.355 3.7454  126.970 4.3140  0.3841553      5.713083  
1 1 1 -17 6   15 o 259.384 4.6774  36543.91   1314.07  38880.02   1865.33  34242.30   1851.50  267.191 6.4456  250.666 6.8196  16.52542       9.383651  
1 1 1 -17 6   16 o 154.257 3.3254  12909.06   555.596  14969.25   798.834  10978.70   773.254  165.997 4.4431  142.098 5.0242  23.89943       6.706984  
1 1 1 -17 6   17 o 88.313  3.0815  4231.43    294.754  4018.01    422.191  4434.36    411.697  85.844  4.5571  90.334  4.2078  -4.490189      6.202658  
1 1 1 -17 6   18 o 98.629  3.0392  5280.10    324.667  4969.17    470.526  5562.68    448.558  95.547  4.5467  101.140 4.0947  -5.593658      6.118773  
1 1 1 -17 6   19 o 98.306  3.0340  5248.61    323.046  4994.91    468.769  5478.08    445.809  95.733  4.5209  100.313 4.1032  -4.579460      6.105320  
1 1 1 -17 6   20 o 29.546  2.2580  476.471    71.712   1176.73    257.682  417.685    74.661   46.074  5.2579  27.623  2.5234  18.45088       5.832035  
1 1 1 -17 6   21 o 44.249  2.3275  1066.02    111.158  1105.33    297.823  1059.66    119.816  44.319  6.3889  44.096  2.5191  0.2227898      6.867621  
1 1 1 -17 6   22 o 75.955  2.7273  3137.26    224.368  2742.94    378.593  3350.72    278.556  70.511  4.9896  78.424  3.2794  -7.913200      5.970767  
1 1 1 -17 6   23 o 76.435  3.3685  3188.15    278.868  3362.18    399.576  3022.89    389.380  78.064  4.7484  73.964  4.8881  4.099678       6.814766  
1 1 1 -17 6   24 o 84.817  3.2973  3929.04    302.913  3923.90    433.413  3933.94    423.526  84.247  4.7694  84.397  4.6512  -0.1496887     6.661859  
1 1 1 -17 6   25 o 97.670  3.2482  5216.99    343.614  5289.15    491.638  5148.07    480.441  97.847  4.6390  96.552  4.5942  1.295494       6.528938  
1 1 1 -17 6   26 o 68.160  3.7121  2561.62    273.009  2532.01    398.724  2587.76    374.590  67.040  5.5409  67.966  5.1263  -0.9263840     7.548535  
1 1 1 -17 6   27 o 38.343  5.9619  849.620    239.551  294.931    370.869  1246.71    313.791  24.953  9.6502  46.388  6.4174  -21.43429      11.58924  
1 1 1 -17 6   28 o 19.242  7.5535  152.329    229.886  172.629    330.221  133.240    320.225  21.808  8.8831  20.933  8.6607  0.8749123      12.40629  
1 1 1 -17 6   29 o ?       ?       -376.4501  28.523   -382.5464  28.656   277.766    296.850  ?       ?       22.723  8.6728  0.000000       8.672757  
1 1 1 -17 6   30 o 18.843  1.4548  194.560    29.462   195.879    29.519   -141.1075  470.859  18.908  1.4525  19.717  9.1600  -0.8089447     9.274453  
1 1 1 -17 6   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 6   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 7   1  o 404.915 6.9147  89089.30   3032.53  90798.51   4288.03  87379.13   4289.26  408.119 9.7007  400.308 9.8928  7.811066       13.85531  
1 1 1 -17 7   2  o 323.774 5.6236  56896.79   1972.11  59155.25   2789.94  54641.41   2788.02  329.799 7.8104  316.911 8.1225  12.88733       11.26843  
1 1 1 -17 7   3  o 172.059 3.4970  16046.06   651.687  16182.28   915.270  15905.98   928.113  172.717 4.8927  171.229 5.0044  1.487518       6.998734  
1 1 1 -17 7   4  o 217.671 4.7540  25700.28   1120.81  25732.59   1372.61  25635.65   1941.55  217.720 5.8207  217.045 8.2590  0.6749573      10.10408  
1 1 1 -17 7   5  o 79.831  3.9107  3455.13    338.140  3587.41    477.415  3321.99    478.994  81.119  5.4657  78.021  5.7078  3.097702       7.902719  
1 1 1 -17 7   6  o 122.905 3.6150  8188.44    481.225  8244.65    804.087  8157.08    600.674  123.219 6.0250  122.635 4.5222  0.5836182      7.533329  
1 1 1 -17 7   7  o 284.322 4.9699  43861.65   1530.49  39664.69   2159.27  48099.02   2169.64  270.069 7.3818  297.504 6.7333  -27.43512      9.991380  
1 1 1 -17 7   8  o 148.027 3.3178  11876.81   531.933  11703.61   741.424  12060.54   763.601  146.881 4.6605  149.100 4.7284  -2.219177      6.639149  
1 1 1 -17 7   9  o 56.233  3.4293  1720.52    207.866  1538.58    274.964  1963.17    317.547  53.031  4.8405  59.946  4.9346  -6.915543      6.912352  
1 1 1 -17 7   10 o 66.549  3.0411  2400.31    219.197  2253.85    258.165  2778.60    414.908  64.367  3.7190  71.336  5.4103  -6.969200      6.565196  
1 1 1 -17 7   11 o 52.897  4.7256  1530.42    267.891  1388.38    406.533  1639.45    356.155  49.913  7.7729  54.588  6.1298  -4.674438      9.899094  
1 1 1 -17 7   12 o 78.267  4.3007  3333.47    363.177  3898.73    573.329  2954.63    469.353  84.449  6.3138  73.498  5.9470  10.95126       8.673575  
1 1 1 -17 7   13 o 154.580 4.7773  12972.59   799.845  12812.72   1145.16  13124.87   1117.65  153.419 6.8915  155.305 6.6443  -1.885818      9.572882  
1 1 1 -17 7   14 o 57.576  4.9312  1813.53    304.550  1933.72    461.419  1720.74    405.397  59.118  7.3659  55.802  6.8514  3.315815       10.05971  
1 1 1 -17 7   15 o 211.117 4.0550  24191.51   927.232  24997.44   1321.12  23409.11   1301.70  214.372 5.6899  207.433 5.7938  6.939194       8.120536  
1 1 1 -17 7   16 o 188.212 3.7335  19226.66   761.084  20842.67   1085.94  17666.60   1066.98  195.770 5.1214  180.185 5.4672  15.58481       7.491296  
1 1 1 -17 7   17 o 50.761  3.9545  1408.08    215.702  1630.82    352.810  1275.13    272.579  54.345  6.0992  48.102  5.3210  6.242920       8.094083  
1 1 1 -17 7   18 o 40.369  4.2998  896.513    185.109  721.509    277.941  1036.01    248.151  35.610  7.4459  43.250  5.4161  -7.640564      9.207339  
1 1 1 -17 7   19 o 82.514  3.0472  3698.01    272.330  3779.34    399.398  3627.35    372.293  83.163  4.4503  81.504  4.2319  1.658882       6.141154  
1 1 1 -17 7   20 o 234.245 4.3703  29941.81   1108.79  29152.63   1569.76  30727.61   1566.39  230.203 6.2958  236.443 6.1165  -6.239975      8.777747  
1 1 1 -17 7   21 o 220.630 4.2074  26586.13   1005.42  25883.29   1425.16  27282.52   1418.62  216.704 6.0719  222.603 5.8839  -5.898788      8.455069  
1 1 1 -17 7   22 o 55.754  3.8018  1704.76    228.208  1465.52    320.899  1949.55    324.603  51.206  5.8935  59.358  5.0984  -8.152351      7.792805  
1 1 1 -17 7   23 o 54.229  2.6701  1600.31    156.833  1437.13    177.537  2180.04    334.642  51.236  3.2155  62.738  4.9653  -11.50206      5.915518  
1 1 1 -17 7   24 o 72.646  3.4668  2884.99    272.780  3122.89    392.542  2662.83    379.335  75.099  4.8519  69.244  5.0937  5.855003       7.034663  
1 1 1 -17 7   25 o 48.957  4.4773  1332.72    234.782  1491.43    343.443  1193.48    321.688  51.182  6.3303  45.566  6.7199  5.616665       9.232010  
1 1 1 -17 7   26 o 22.549  7.6226  280.026    221.232  439.100    345.997  170.013    287.736  27.737  9.5307  21.236  8.4142  6.500385       12.71348  
1 1 1 -17 7   27 o 23.283  7.5690  311.451    218.633  452.400    326.929  197.416    294.064  27.670  9.2667  21.760  8.5427  5.909910       12.60356  
1 1 1 -17 7   28 o 13.960  2.6252  110.094    38.237   107.156    38.553   287.032    299.178  13.758  2.6836  23.444  8.7597  -9.686027      9.161582  
1 1 1 -17 7   29 o 19.990  2.2292  221.373    47.443   211.377    48.005   640.664    310.909  19.510  2.3170  31.260  8.8065  -11.74980      9.106202  
1 1 1 -17 7   30 o 22.807  1.2293  283.698    30.254   287.019    30.318   -508.0191  468.103  22.941  1.2246  16.972  8.2246  5.969425       8.315242  
1 1 1 -17 7   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 7   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 8   1  o 268.439 4.8301  39088.25   1404.33  40944.41   1987.18  37236.41   1984.86  274.532 6.6830  261.766 7.0008  12.76605       9.678516  
1 1 1 -17 8   2  o 70.933  2.7183  2726.20    208.840  2948.48    293.478  2498.18    297.248  73.752  3.6740  67.758  4.0692  5.993927       5.482343  
1 1 1 -17 8   3  o 253.239 4.5396  34780.44   1245.14  34318.63   1757.88  35245.43   1763.92  251.365 6.4568  254.744 6.3930  -3.378906      9.086259  
1 1 1 -17 8   4  o 307.455 6.8273  51363.14   2273.53  51715.62   2524.56  49850.47   5229.86  308.393 7.5581  300.199 16.144  8.193146       17.82554  
1 1 1 -17 8   5  o 171.789 4.0601  16001.41   755.452  16058.63   926.302  15887.75   1305.48  172.044 4.9710  170.970 7.0498  1.074173       8.626175  
1 1 1 -17 8   6  o 351.554 7.0374  67179.30   2679.62  68488.10   4639.55  66524.19   3282.45  353.679 12.111  349.500 8.6712  4.179016       14.89554  
1 1 1 -17 8   7  o 254.565 4.6265  35152.32   1275.63  33381.70   1798.43  36945.09   1809.64  247.846 6.6995  260.778 6.4069  -12.93156      9.269942  
1 1 1 -17 8   8  o 171.351 3.5850  15916.92   665.345  15255.98   933.688  16598.81   948.363  167.665 5.1415  174.898 5.0063  -7.232849      7.176227  
1 1 1 -17 8   9  o 211.535 4.0267  24265.56   922.584  23434.72   1065.56  26753.37   1843.86  207.829 4.7337  221.721 7.6780  -13.89256      9.019998  
1 1 1 -17 8   10 o 138.729 3.1915  10431.77   479.545  10337.46   555.620  10707.18   949.468  138.079 3.7152  140.373 6.2449  -2.294144      7.266479  
1 1 1 -17 8   11 o 123.152 3.1683  8220.93    422.611  7718.65    493.873  9594.47    816.705  119.305 3.8220  132.907 5.6734  -13.60220      6.840700  
1 1 1 -17 8   12 o 272.109 6.9932  40293.29   2061.04  37813.50   2918.66  42759.87   2910.87  262.874 10.251  279.715 9.6081  -16.84064      14.04982  
1 1 1 -17 8   13 o 193.144 5.4724  20268.74   1144.81  19832.90   1638.32  20684.62   1600.35  190.713 7.9314  194.822 7.5841  -4.109192      10.97387  
1 1 1 -17 8   14 o 95.597  4.2672  4959.88    441.834  4747.60    649.278  5142.97    602.983  93.177  6.4737  97.091  5.7597  -3.913933      8.665085  
1 1 1 -17 8   15 o 167.644 4.9595  15271.67   900.524  0.0000     0.0000   15271.67   900.524  ?       ?       167.644 4.9595  0.000000       4.959487  
1 1 1 -17 8   16 o 261.749 5.4796  37283.55   1553.47  38818.88   2700.64  36524.32   1899.12  265.846 9.3792  258.739 6.7767  7.106628       11.57126  
1 1 1 -17 8   17 o 111.949 3.1288  6800.29    379.373  7003.19    560.677  6628.94    515.230  113.483 4.5615  110.434 4.3075  3.049332       6.273934  
1 1 1 -17 8   18 o 75.624  3.1498  3104.90    257.999  3257.38    386.930  2982.83    346.191  77.208  4.6487  73.914  4.3434  3.294075       6.362051  
1 1 1 -17 8   19 o 37.242  4.8863  769.490    192.340  575.632    319.743  879.417    240.775  31.752  8.9256  39.687  5.7705  -7.934063      10.62850  
1 1 1 -17 8   20 o 25.546  6.0514  372.767    164.861  222.965    242.334  501.829    224.934  21.888  7.9338  29.563  7.1115  -7.674952      10.65447  
1 1 1 -17 8   21 o 51.597  3.8505  1459.97    213.631  1480.87    311.207  1441.35    293.785  51.598  5.6616  50.957  5.4056  0.6418877      7.827769  
1 1 1 -17 8   22 o 111.004 3.1523  6710.52    379.000  7016.12    535.486  6403.77    536.490  113.213 4.3670  108.101 4.5821  5.111488       6.329765  
1 1 1 -17 8   23 o 169.199 3.6269  15642.83   664.664  16222.03   943.867  15073.09   936.135  171.570 5.0792  165.297 5.2288  6.272797       7.289657  
1 1 1 -17 8   24 o 18.111  7.0414  122.332    198.264  228.165    287.621  26.512     273.675  22.671  8.5644  18.470  7.8464  4.200369       11.61532  
1 1 1 -17 8   25 o 25.741  7.3034  387.484    213.052  -2.0569    318.355  703.461    286.723  19.240  8.3218  34.426  7.8622  -15.18580      11.44838  
1 1 1 -17 8   26 o 25.229  7.5432  373.407    222.059  420.497    346.199  340.491    289.445  27.332  9.5254  24.930  8.7085  2.401434       12.90620  
1 1 1 -17 8   27 o 19.487  2.5843  210.967    53.199   198.173    54.079   594.392    296.046  18.849  2.7284  31.138  8.5275  -12.28914      8.953300  
1 1 1 -17 8   28 o 19.770  1.1882  212.911    25.324   166.891    36.656   254.933    35.028   17.390  1.9815  21.605  1.5063  -4.215668      2.489040  
1 1 1 -17 8   29 o 6.3708  2.6653  4.2692     30.815   1.1340     30.955   348.341    324.280  6.2240  2.6412  24.436  9.1219  -18.21200      9.496572  
1 1 1 -17 8   30 o 19.675  2.3493  215.752    49.073   211.990    49.332   571.781    479.886  19.492  2.3866  28.367  10.975  -8.874933      11.23185  
1 1 1 -17 8   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 8   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 9   1  o 287.971 5.0952  44992.16   1589.20  44132.24   2247.20  45852.48   2247.73  284.933 7.2816  290.453 7.1449  -5.520386      10.20158  
1 1 1 -17 9   2  o 61.822  2.8025  2070.93    187.653  2256.12    267.905  1892.55    262.928  64.396  3.8589  58.935  4.1454  5.460724       5.663522  
1 1 1 -17 9   3  o 122.871 2.9669  8181.15    394.844  8404.15    556.260  7954.71    560.552  124.498 4.1252  121.118 4.2730  3.380043       5.939351  
1 1 1 -17 9   4  o 237.007 4.3211  30461.11   1109.22  29064.41   1562.90  31878.69   1574.53  231.340 6.2375  242.307 5.9995  -10.96687      8.654471  
1 1 1 -17 9   5  o 96.897  3.2508  5088.61    341.174  5516.52    418.290  4238.13    589.695  100.874 3.8285  88.121  6.2184  12.75298       7.302431  
1 1 1 -17 9   6  o 122.336 3.5985  8112.86    476.817  8192.81    796.825  8068.26    595.128  122.832 5.9894  121.966 4.5051  0.8657761      7.494567  
1 1 1 -17 9   7  o 156.312 3.3625  13243.57   569.278  12578.33   794.570  13945.21   816.022  152.265 4.8179  160.332 4.6991  -8.067001      6.730058  
1 1 1 -17 9   8  f 222.205 4.1494  26776.13   998.651  25167.83   1403.41  28425.84   1421.37  215.265 6.0192  228.805 5.7355  -13.53975      8.314281  
1 1 1 -17 9   9  o 41.468  4.1374  941.848    183.349  669.209    217.309  1615.46    341.577  34.606  6.0162  54.219  5.9124  -19.61354      8.435079  
1 1 1 -17 9   10 o 167.183 3.5150  15152.73   636.488  15243.69   738.003  14888.63   1257.51  167.654 4.0642  165.454 7.0172  2.199554       8.109179  
1 1 1 -17 9   11 o 139.425 3.2436  10537.69   489.825  10381.19   569.540  10982.32   960.003  138.361 3.8005  142.150 6.2353  -3.789169      7.302216  
1 1 1 -17 9   12 o 160.376 3.4149  13945.30   593.192  14341.43   688.195  12800.30   1170.03  162.609 3.9075  153.361 7.0439  9.248383       8.055124  
1 1 1 -17 9   13 o 171.414 4.1492  15942.44   770.332  15412.84   949.498  16962.35   1317.66  168.451 5.2041  176.518 6.8920  -8.066940      8.636099  
1 1 1 -17 9   14 o 259.147 6.7117  36565.45   1883.87  36530.81   2678.53  36599.35   2650.09  258.308 9.5739  258.583 9.4622  -0.2748108     13.46078  
1 1 1 -17 9   15 o 174.072 4.2016  16449.87   792.164  14165.33   1390.80  17546.90   963.775  161.021 7.9746  179.697 4.9518  -18.67598      9.386953  
1 1 1 -17 9   16 o 236.324 6.2381  30438.18   1596.73  0.0000     0.0000   30438.18   1596.73  ?       ?       236.324 6.2381  0.000000       6.238121  
1 1 1 -17 9   17 o 232.714 6.1531  29551.91   1550.91  0.0000     0.0000   29551.91   1550.91  ?       ?       232.714 6.1531  0.000000       6.153091  
1 1 1 -17 9   18 o 71.445  3.2011  2771.49    247.705  2884.02    374.394  2683.88    330.344  72.608  4.7876  70.093  4.3731  2.515442       6.484242  
1 1 1 -17 9   19 o 58.262  3.5688  1852.67    224.119  2159.80    358.603  1655.81    287.097  62.643  5.3362  54.872  4.8817  7.771324       7.232241  
1 1 1 -17 9   20 o 67.816  3.2859  2501.57    241.359  2036.55    365.885  2859.81    321.141  60.683  5.6310  72.305  4.1177  -11.62183      6.975935  
1 1 1 -17 9   21 o 95.638  3.2062  4978.23    332.120  4392.33    477.649  5526.63    462.112  89.393  4.9526  100.579 4.2420  -11.18690      6.520962  
1 1 1 -17 9   22 o 76.801  3.2690  3213.82    271.928  3469.72    384.662  2958.19    384.467  79.466  4.4876  73.258  4.8733  6.207840       6.624722  
1 1 1 -17 9   23 o 72.213  3.4548  2847.14    270.210  2933.40    389.591  2767.17    375.091  72.823  4.9690  70.732  4.9268  2.090317       6.997497  
1 1 1 -17 9   24 f 37.295  5.5435  787.008    217.113  911.843    317.892  677.872    297.234  39.514  7.7046  33.850  8.1948  5.663311       11.24794  
1 1 1 -17 9   25 o 56.955  4.1828  1795.03    256.225  1901.59    392.048  1715.57    338.528  57.846  6.3626  55.153  5.7517  2.693378       8.576978  
1 1 1 -17 9   26 o 17.580  6.8354  119.887    186.843  0.7112     250.443  269.483    280.592  17.138  7.3969  23.169  8.5157  -6.030151      11.27969  
1 1 1 -17 9   27 o 46.489  4.8391  1217.96    240.088  1496.18    358.407  991.493    323.363  50.741  6.6841  40.743  7.6074  9.997852       10.12668  
1 1 1 -17 9   28 o 71.393  2.9151  2798.07    225.416  3428.65    432.205  2562.45    264.194  77.768  5.1605  67.991  3.6004  9.776588       6.292368  
1 1 1 -17 9   29 o 62.045  4.1419  2173.02    276.739  2325.22    412.606  2048.57    373.106  62.703  6.1548  59.015  5.9168  3.687756       8.537597  
1 1 1 -17 9   30 o 33.594  1.6275  615.701    59.218   622.923    59.672   147.247    480.591  33.790  1.6305  22.698  10.011  11.09159       10.14298  
1 1 1 -17 9   31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 9   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 10  1  o 137.363 3.0872  10225.27   459.303  10497.98   649.151  9951.89    649.954  139.138 4.3075  135.465 4.4298  3.672379       6.178837  
1 1 1 -17 10  2  o 73.026  2.3804  2889.18    188.278  2696.69    296.820  3018.78    243.545  70.419  3.9070  74.637  3.0127  -4.217743      4.933616  
1 1 1 -17 10  3  o 227.660 4.2511  28104.46   1048.23  28844.40   1480.95  27361.60   1483.88  230.496 5.9321  224.477 6.1032  6.019211       8.511089  
1 1 1 -17 10  4  o 73.650  2.8051  2939.20    223.764  3007.94    298.609  2851.17    337.926  74.490  3.7011  72.380  4.3304  2.109535       5.696560  
1 1 1 -17 10  5  o 136.768 3.6083  10139.73   534.506  10253.54   654.141  9911.06    927.190  137.501 4.3923  135.081 6.3373  2.420319       7.710649  
1 1 1 -17 10  6  o 190.356 4.3260  19651.23   891.926  18545.82   1527.19  20223.47   1098.80  184.649 7.6362  193.043 5.2552  -8.394211      9.269762  
1 1 1 -17 10  7  f 170.002 4.1100  15671.85   756.770  16197.33   1306.27  15406.38   928.450  172.614 6.9869  168.497 5.0874  4.117081       8.642864  
1 1 1 -17 10  8  o 150.974 3.2906  12354.49   538.084  11891.45   620.662  13755.57   1079.64  148.093 3.8695  159.123 6.2643  -11.03000      7.363043  
1 1 1 -17 10  9  o 73.399  3.0095  2919.76    239.252  3107.67    278.400  2388.98    467.902  75.716  3.3948  65.967  6.6390  9.749420       7.456582  
1 1 1 -17 10  10 o 324.050 5.6671  57027.16   1989.05  56616.07   2297.15  58258.75   3976.04  322.724 6.5719  326.188 11.254  -3.464111      13.03247  
1 1 1 -17 10  11 o 287.533 5.1166  44882.18   1593.46  44109.87   1840.39  47194.89   3184.74  284.924 5.9636  293.840 10.007  -8.915955      11.64901  
1 1 1 -17 10  12 o 156.392 3.4020  13261.06   576.258  13139.23   668.334  13614.12   1137.69  155.640 3.9646  158.202 6.6396  -2.561722      7.733224  
1 1 1 -17 10  13 o 55.526  3.4790  1678.47    208.174  1929.26    253.051  1153.39    366.156  59.505  3.9488  45.380  7.7264  14.12479       8.677019  
1 1 1 -17 10  14 o 243.409 4.4541  32162.85   1174.26  33114.39   1358.20  29346.23   2336.75  246.895 5.0790  231.574 9.3165  15.32103       10.61101  
1 1 1 -17 10  15 o 48.587  5.5970  1300.84    289.155  1632.66    446.462  1061.08    379.503  54.127  7.8441  43.332  8.3892  10.79521       11.48516  
1 1 1 -17 10  16 o 68.144  4.6870  2535.79    343.829  0.0000     0.0000   2535.79    343.829  ?       ?       68.144  4.6870  0.000000       4.686951  
1 1 1 -17 10  17 o 137.005 4.5274  10207.77   671.821  0.0000     0.0000   10207.77   671.821  ?       ?       137.005 4.5274  0.000000       4.527384  
1 1 1 -17 10  18 o 94.803  4.1676  4889.16    427.931  0.0000     0.0000   4889.16    427.931  ?       ?       94.803  4.1676  0.000000       4.167551  
1 1 1 -17 10  19 o 80.869  3.6228  3556.92    317.320  4021.01    653.493  3413.73    362.986  85.172  7.1501  79.048  4.2553  6.123680       8.320561  
1 1 1 -17 10  20 o 75.149  3.1510  3070.82    256.471  3277.91    386.918  2908.51    342.534  77.322  4.6415  72.873  4.3598  4.449226       6.367981  
1 1 1 -17 10  21 o 48.091  4.5816  1276.52    235.757  1039.01    340.247  1495.85    326.970  42.594  7.6568  51.788  5.9364  -9.194443      9.688488  
1 1 1 -17 10  22 o 45.350  4.7482  1140.00    229.766  1019.36    357.327  1225.04    300.012  41.938  8.1603  46.701  6.0750  -4.763695      10.17331  
1 1 1 -17 10  23 o 48.915  4.3222  1322.23    226.633  855.651    328.490  1746.06    313.080  38.214  8.1833  56.029  5.2191  -17.81550      9.705934  
1 1 1 -17 10  24 o 29.171  1.2837  461.430    40.558   467.130    40.997   199.777    277.774  29.350  1.2897  21.855  8.3780  7.495342       8.476682  
1 1 1 -17 10  25 o 76.043  3.5700  3169.86    294.031  3347.80    443.182  3029.95    392.976  77.414  5.3179  73.784  4.9460  3.629402       7.262391  
1 1 1 -17 10  26 o 36.613  1.6365  728.169    64.898   565.316    333.961  734.560    66.159   30.545  9.2774  36.772  1.6611  -6.226463      9.424941  
1 1 1 -17 10  27 f 29.182  7.1422  510.051    223.916  730.727    338.833  338.961    298.346  34.322  9.0029  24.824  8.8263  9.497774       12.60779  
1 1 1 -17 10  28 o 46.704  4.9874  1241.06    248.388  1729.09    374.639  858.260    331.797  54.371  6.4900  37.107  8.4453  17.26362       10.65096  
1 1 1 -17 10  29 o 35.679  6.6931  776.860    249.149  822.109    395.105  746.990    321.020  34.543  9.9921  33.732  8.7221  0.8110886      13.26337  
1 1 1 -17 10  30 o 43.626  1.9426  1041.62    91.789   1055.73    93.411   645.903    494.581  43.915  1.9639  29.532  11.213  14.38305       11.38354  
1 1 1 -17 10  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 10  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 11  1  o 123.399 2.9525  8251.61    394.614  8033.25    555.089  8474.73    561.096  121.716 4.2106  125.019 4.1437  -3.302376      5.907598  
1 1 1 -17 11  2  o 241.881 4.4196  31728.77   1157.87  31813.93   1637.22  31643.55   1637.72  242.036 6.2453  241.385 6.2641  0.6510010      8.845515  
1 1 1 -17 11  3  o 52.582  3.0564  1503.42    173.317  1521.38    239.258  1483.60    251.407  52.801  4.2189  52.109  4.4985  0.6913986      6.167324  
1 1 1 -17 11  4  o 208.530 3.9665  23576.46   895.867  23348.12   1263.66  23807.19   1270.26  207.397 5.6255  209.428 5.6000  -2.031189      7.937625  
1 1 1 -17 11  5  o 205.265 4.9022  22858.45   1089.88  22761.38   1232.20  23207.34   2336.05  204.776 5.5556  205.902 10.510  -1.125748      11.88797  
1 1 1 -17 11  6  o 89.532  2.9817  4344.03    289.143  3992.50    381.090  4820.92    443.873  85.807  4.1005  94.283  4.3467  -8.475502      5.975550  
1 1 1 -17 11  7  o 228.345 4.9612  28291.73   1227.02  27036.38   2110.57  28932.65   1508.06  222.770 8.7473  230.811 6.0324  -8.040863      10.62569  
1 1 1 -17 11  8  o 41.850  3.8257  957.510    171.493  906.452    198.295  1109.02    341.583  40.620  4.5875  44.579  7.3292  -3.959202      8.646547  
1 1 1 -17 11  9  o 241.951 4.4628  31755.83   1169.52  31479.45   1350.35  32585.39   2339.47  240.826 5.1770  244.493 8.8345  -3.667450      10.23956  
1 1 1 -17 11  10 o 155.652 3.3348  13133.36   562.202  13279.77   650.955  12703.56   1115.31  156.493 3.8405  152.855 6.7367  3.638000       7.754497  
1 1 1 -17 11  11 o 327.452 5.7096  58245.46   2024.99  58806.61   2338.94  56565.92   4046.45  328.864 6.5665  321.158 11.633  7.705963       13.35816  
1 1 1 -17 11  12 o 261.696 4.7819  37174.54   1355.42  36593.59   1566.90  38901.45   2701.52  259.535 5.5741  266.833 9.3475  -7.297821      10.88335  
1 1 1 -17 11  13 o 212.570 4.0968  24516.18   943.227  24009.78   1091.00  26014.90   1876.91  210.291 4.7900  218.411 7.9341  -8.120422      9.267892  
1 1 1 -17 11  14 o 219.029 4.1575  26035.32   986.300  26369.99   1141.77  25051.34   1957.80  220.357 4.7839  214.144 8.4409  6.212433       9.702332  
1 1 1 -17 11  15 o 174.032 3.5965  16432.17   677.926  16894.17   786.651  15098.73   1336.42  176.412 4.1170  166.327 7.4184  10.08458       8.484262  
1 1 1 -17 11  16 o 228.161 6.0692  28367.16   1499.84  0.0000     0.0000   28367.16   1499.84  ?       ?       228.161 6.0692  0.000000       6.069222  
1 1 1 -17 11  17 o 104.440 4.2118  5928.90    476.430  0.0000     0.0000   5928.90    476.430  ?       ?       104.440 4.2118  0.000000       4.211761  
1 1 1 -17 11  18 o 159.890 4.8800  13931.42   845.106  0.0000     0.0000   13931.42   845.106  ?       ?       159.890 4.8800  0.000000       4.879995  
1 1 1 -17 11  19 f 51.835  4.8632  1479.16    269.841  0.0000     0.0000   1479.16    269.841  ?       ?       51.835  4.8632  0.000000       4.863153  
1 1 1 -17 11  20 o 38.281  6.0460  824.389    242.358  0.0000     0.0000   824.389    242.358  ?       ?       38.281  6.0460  0.000000       6.045988  
1 1 1 -17 11  21 o 47.133  4.6732  1227.62    235.421  1211.32    339.028  1242.80    327.159  46.258  6.9842  46.968  6.6144  -0.7092171     9.619184  
1 1 1 -17 11  22 o 60.413  3.7349  1999.98    243.190  1692.30    352.539  2279.31    335.908  55.020  6.0138  64.260  4.8622  -9.240120      7.733516  
1 1 1 -17 11  23 o 105.365 3.3007  6057.65    376.684  6438.23    563.863  5750.91    506.212  108.169 4.8128  102.313 4.5681  5.856644       6.635540  
1 1 1 -17 11  24 o 29.249  7.3058  501.310    230.764  163.591    396.943  673.719    283.615  23.808  9.7232  33.805  7.8899  -9.996231      12.52165  
1 1 1 -17 11  25 o 45.428  4.9781  1157.01    240.928  1142.12    373.585  1167.61    315.243  43.948  8.1483  45.054  6.6609  -1.105854      10.52439  
1 1 1 -17 11  26 o 73.211  2.8622  2929.88    226.957  3012.92    420.963  2895.84    269.475  73.224  5.3448  72.639  3.4251  0.5855484      6.348076  
1 1 1 -17 11  27 o 32.497  6.8800  627.159    234.613  597.492    369.674  647.167    303.587  31.086  9.8158  32.457  8.5257  -1.370537      13.00150  
1 1 1 -17 11  28 o 48.944  4.8474  1358.85    253.592  1244.06    382.015  1449.29    339.079  45.057  8.1270  49.735  6.4462  -4.678585      10.37314  
1 1 1 -17 11  29 o 22.082  7.7824  286.433    231.460  187.002    356.707  358.745    304.197  21.891  9.1056  24.401  8.8821  -2.510948      12.72023  
1 1 1 -17 11  30 o 18.138  8.0527  10.625     315.980  87.728     383.325  -152.8348  558.135  20.485  8.9910  21.067  9.8489  -0.5814056     13.33560  
1 1 1 -17 11  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 11  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 12  1  o 348.160 6.0315  65817.89   2274.44  64792.97   3215.88  66843.66   3217.21  344.967 8.6070  350.412 8.4768  -5.444794      12.08040  
1 1 1 -17 12  2  o 312.151 5.5012  52883.55   1859.91  55501.16   2630.06  50264.95   2630.56  319.465 7.6010  303.955 7.9904  15.50974       11.02825  
1 1 1 -17 12  3  o 269.465 4.8384  39390.09   1412.14  39995.34   1996.14  38783.72   1997.98  271.303 6.7931  267.147 6.9051  4.155945       9.686422  
1 1 1 -17 12  4  o 141.432 3.1472  10840.55   482.103  10546.95   676.706  11143.15   687.003  139.451 4.4803  143.341 4.4251  -3.889877      6.297169  
1 1 1 -17 12  5  o 153.112 3.2593  12705.83   540.507  11883.08   752.755  13581.51   776.586  148.008 4.6957  158.241 4.5311  -10.23317      6.525319  
1 1 1 -17 12  6  o 90.526  3.3090  4441.75    324.448  4601.49    397.177  4121.36    562.494  92.122  3.9806  86.911  6.0125  5.211937       7.210753  
1 1 1 -17 12  7  o 135.067 3.6019  9889.65    526.928  9373.53    642.508  10949.86   920.873  131.457 4.5126  141.995 5.9877  -10.53770      7.497698  
1 1 1 -17 12  8  o 202.431 3.9141  22219.68   858.191  22298.06   990.675  21984.01   1717.83  202.746 4.5114  200.971 7.8918  1.775681       9.090279  
1 1 1 -17 12  9  o 199.337 3.8620  21545.84   833.813  21747.74   962.563  20938.90   1668.88  200.228 4.4385  196.121 7.8565  4.107056       9.023605  
1 1 1 -17 12  10 o 286.343 5.0870  44504.59   1577.68  45186.30   1821.89  42460.71   3154.63  288.424 5.8320  278.669 10.452  9.755096       11.96878  
1 1 1 -17 12  11 o 288.297 5.1497  45124.02   1608.03  44768.82   1857.90  46184.56   3210.32  287.036 5.9761  290.605 10.199  -3.569336      11.82123  
1 1 1 -17 12  12 o 240.982 4.4449  31513.04   1160.15  32124.39   1341.39  29698.16   2311.18  243.232 5.0917  233.176 9.1512  10.05501       10.47235  
1 1 1 -17 12  13 o 42.399  4.1573  984.738    188.459  970.888    230.569  1012.62    327.115  41.963  5.1832  42.513  7.3713  -0.5499115     9.011201  
1 1 1 -17 12  14 o 192.553 3.8376  20115.77   800.356  20043.90   928.513  20323.54   1578.77  192.147 4.4615  193.038 7.5510  -0.8909302     8.770608  
1 1 1 -17 12  15 o 168.529 3.5443  15408.99   646.958  15564.78   751.328  14962.19   1272.39  169.328 4.0967  165.620 7.0931  3.707520       8.191133  
1 1 1 -17 12  16 o 157.782 3.4643  13509.76   592.022  13588.45   851.149  13436.00   824.003  158.069 4.9715  157.197 4.8397  0.8718262      6.938177  
1 1 1 -17 12  17 o 73.201  3.1682  2908.01    251.190  3270.79    376.957  2618.25    336.884  77.417  4.5151  69.237  4.5171  8.180855       6.386767  
1 1 1 -17 12  18 o 39.391  5.9157  866.433    244.591  0.0000     0.0000   866.433    244.591  ?       ?       39.391  5.9157  0.000000       5.915686  
1 1 1 -17 12  19 o 84.283  4.1532  3869.48    379.136  0.0000     0.0000   3869.48    379.136  ?       ?       84.283  4.1532  0.000000       4.153238  
1 1 1 -17 12  20 o 137.696 4.5824  10358.73   683.415  0.0000     0.0000   10358.73   683.415  ?       ?       137.696 4.5824  0.000000       4.582403  
1 1 1 -17 12  21 o 83.404  4.7526  3821.73    427.555  0.0000     0.0000   3821.73    427.555  ?       ?       83.404  4.7526  0.000000       4.752634  
1 1 1 -17 12  22 o 118.741 4.5048  7726.50    579.364  0.0000     0.0000   7726.50    579.364  ?       ?       118.741 4.5048  0.000000       4.504837  
1 1 1 -17 12  23 o 123.295 3.3542  8297.09    447.933  9053.20    674.634  7700.95    599.029  128.245 4.8569  118.351 4.6731  9.893837       6.739965  
1 1 1 -17 12  24 o 69.418  3.8647  2649.23    289.423  2865.50    470.382  2517.47    367.149  71.416  6.1409  67.301  5.0741  4.114510       7.965976  
1 1 1 -17 12  25 o 66.338  3.9146  2426.97    280.024  2854.51    442.063  2140.45    361.888  71.236  5.7793  61.751  5.4673  9.484112       7.955604  
1 1 1 -17 12  26 o 32.766  6.9052  633.568    237.328  887.170    389.471  483.784    299.318  37.849  9.5119  28.457  8.8088  9.391829       12.96421  
1 1 1 -17 12  27 o 29.951  7.5182  541.051    243.518  741.418    370.650  388.876    323.015  34.367  9.5921  26.192  9.1968  8.175528       13.28870  
1 1 1 -17 12  28 o 73.527  3.7376  3003.03    296.675  3350.02    442.349  2719.34    399.969  76.677  5.3601  69.030  5.3923  7.646812       7.603122  
1 1 1 -17 12  29 o 66.585  3.9957  2498.25    286.828  2250.43    429.750  2697.34    385.173  61.193  6.5878  68.250  5.2509  -7.056168      8.424407  
1 1 1 -17 12  30 o 26.875  9.8249  494.588    372.776  494.588    372.776  0.0000     0.0000   26.875  9.8249  ?       ?       0.000000       9.824902  
1 1 1 -17 12  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 12  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 13  1  f 443.164 7.4425  106791.10  3572.35  109430.00  5052.02  104152.10  5052.10  447.736 10.418  436.717 10.681  11.01910       14.92004  
1 1 1 -17 13  2  o 320.896 5.5938  55894.05   1944.22  54718.03   2748.57  57071.75   2750.51  317.123 8.0022  323.902 7.8402  -6.779083      11.20287  
1 1 1 -17 13  3  o 133.381 3.1109  9641.30    449.417  9654.26    616.285  9626.57    656.791  133.428 4.2645  133.225 4.5517  0.2038879      6.237262  
1 1 1 -17 13  4  f 270.282 4.8339  39630.43   1415.09  38149.63   1998.57  41119.16   2003.92  264.938 6.9647  275.089 6.7257  -10.15143      9.682063  
1 1 1 -17 13  5  o 59.362  3.1104  1914.95    199.287  1692.72    263.918  2209.75    303.976  55.693  4.4113  63.677  4.4351  -7.983749      6.255377  
1 1 1 -17 13  6  o 28.514  5.5199  456.395    164.315  350.969    203.873  651.822    277.575  25.106  7.1518  33.945  7.7237  -8.838621      10.52631  
1 1 1 -17 13  7  o 19.397  6.6701  185.506    169.481  238.023    205.596  74.146     299.387  21.727  7.3483  20.527  8.4206  1.200115       11.17605  
1 1 1 -17 13  8  o 107.702 2.9547  6286.34    344.671  6170.30    405.295  6589.56    655.138  106.688 3.5074  110.172 5.4902  -3.484428      6.514960  
1 1 1 -17 13  9  f 184.950 3.7199  18546.43   745.172  18132.22   861.285  19779.47   1486.03  182.833 4.3493  190.691 7.1950  -7.857742      8.407374  
1 1 1 -17 13  10 f 110.745 3.0716  6647.46    368.434  6580.94    428.495  6836.08    721.607  110.173 3.5909  112.017 5.9692  -1.844246      6.966040  
1 1 1 -17 13  11 o 131.270 3.2322  9341.15    459.547  8643.45    535.180  11299.60   896.645  126.243 3.9140  144.221 5.7401  -17.97871      6.947559  
1 1 1 -17 13  12 o 29.612  5.7011  492.519    176.216  566.010    218.889  357.169    297.055  31.674  6.5947  26.384  8.8332  5.290075       11.02341  
1 1 1 -17 13  13 f 47.366  4.1780  1226.81    212.145  965.873    266.648  1676.84    350.176  41.713  6.0808  55.219  5.9489  -13.50566      8.506816  
1 1 1 -17 13  14 o 161.384 3.4190  14125.45   597.631  14775.67   695.629  12293.02   1167.78  165.020 3.8920  150.174 7.1795  14.84627       8.166579  
1 1 1 -17 13  15 o 112.920 3.1217  6915.15    381.793  7125.55    450.676  6380.32    718.546  114.597 3.6310  108.070 6.1643  6.526276       7.154165  
1 1 1 -17 13  16 o 253.131 4.6665  34832.29   1279.40  34548.02   1479.21  35676.49   2549.07  251.929 5.4210  254.773 9.2376  -2.844040      10.71076  
1 1 1 -17 13  17 o 82.246  3.0870  3670.86    274.989  3917.12    408.737  3467.23    371.685  84.748  4.4687  79.738  4.3198  5.009880       6.215327  
1 1 1 -17 13  18 o 71.005  3.2007  2737.93    246.150  2543.44    371.028  2890.84    328.972  68.110  5.0657  72.769  4.1916  -4.659035      6.575033  
1 1 1 -17 13  19 o 113.506 4.2617  7020.92    523.931  0.0000     0.0000   7020.92    523.931  ?       ?       113.506 4.2617  0.000000       4.261713  
1 1 1 -17 13  20 o 85.396  4.3604  3991.44    401.966  0.0000     0.0000   3991.44    401.966  ?       ?       85.396  4.3604  0.000000       4.360425  
1 1 1 -17 13  21 o 57.648  5.7019  1846.19    351.356  0.0000     0.0000   1846.19    351.356  ?       ?       57.648  5.7019  0.000000       5.701924  
1 1 1 -17 13  22 o 22.004  8.2652  210.550    267.040  0.0000     0.0000   210.550    267.040  ?       ?       22.004  8.2652  0.000000       8.265175  
1 1 1 -17 13  23 o 61.247  5.2219  2084.36    343.092  0.0000     0.0000   2084.36    343.092  ?       ?       61.247  5.2219  0.000000       5.221861  
1 1 1 -17 13  24 o 54.358  5.6741  1658.80    329.138  0.0000     0.0000   1658.80    329.138  ?       ?       54.358  5.6741  0.000000       5.674070  
1 1 1 -17 13  25 o 103.242 3.3435  5836.16    373.878  6606.84    562.103  5224.67    500.696  109.241 4.7507  97.141  4.7588  12.10019       6.724284  
1 1 1 -17 13  26 o 48.456  5.1435  1323.96    265.817  1660.26    412.167  1084.48    347.817  53.323  7.3304  42.717  7.8052  10.60580       10.70780  
1 1 1 -17 13  27 o 38.449  6.3616  862.107    255.662  936.629    396.301  808.983    334.600  38.625  9.5313  36.245  8.6446  2.380013       12.86758  
1 1 1 -17 13  28 o 43.855  5.6867  1113.31    263.755  902.902    440.254  1231.11    329.415  36.830  10.516  45.496  6.9016  -8.665836      12.57838  
1 1 1 -17 13  29 o ?       ?       -143.2109  26.894   -34.5956   351.914  -143.8490  26.973   18.689  8.3836  ?       ?       0.000000       8.383603  
1 1 1 -17 13  30 o 33.278  9.8549  798.190    380.362  798.190    380.362  0.0000     0.0000   33.278  9.8549  ?       ?       0.000000       9.854852  
1 1 1 -17 13  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 13  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 14  1  o 195.910 3.8273  20807.67   812.118  21409.69   1147.56  20203.65   1149.46  198.622 5.3343  192.934 5.5007  5.688309       7.662379  
1 1 1 -17 14  2  o 369.049 6.3650  73979.03   2544.19  74215.66   3596.71  73742.05   3599.36  369.089 8.9971  367.901 9.0328  1.188293       12.74913  
1 1 1 -17 14  3  o 220.283 4.1431  26311.96   988.506  26096.25   1395.84  26528.97   1400.09  219.237 5.8783  221.050 5.8478  -1.813126      8.291659  
1 1 1 -17 14  4  o 72.509  2.8548  2848.97    224.199  2999.37    301.133  2661.93    335.826  74.287  3.7548  69.916  4.4580  4.370613       5.828537  
1 1 1 -17 14  5  o 315.997 5.5305  54201.99   1892.86  56655.77   2674.68  51740.03   2679.14  322.729 7.6518  308.343 8.0222  14.38614       11.08627  
1 1 1 -17 14  6  o 155.755 3.8358  13152.90   647.095  13349.19   791.504  12757.27   1123.71  156.870 4.6585  153.210 6.7717  3.660873       8.219321  
1 1 1 -17 14  7  f 132.378 4.4085  9504.78    632.081  9497.44    886.742  9512.36    901.229  132.227 6.1917  132.324 6.2882  -0.9747314E-01 8.824848  
1 1 1 -17 14  8  o 267.878 5.2195  38948.41   1514.37  38591.93   1633.40  41130.39   4041.08  266.596 5.6567  273.492 13.642  -6.895905      14.76842  
1 1 1 -17 14  9  f 161.699 3.4558  14174.30   605.242  13868.93   699.630  15082.51   1206.57  159.918 4.0393  166.565 6.6880  -6.647156      7.813166  
1 1 1 -17 14  10 o 275.342 4.9595  41147.75   1479.04  40769.05   1708.11  42282.49   2956.76  273.967 5.7564  278.217 9.8121  -4.250580      11.37598  
1 1 1 -17 14  11 o 66.469  3.2074  2395.00    230.909  2212.93    274.422  2836.51    427.329  63.750  3.9945  72.057  5.5173  -8.306927      6.811541  
1 1 1 -17 14  12 o 146.044 3.3025  11563.98   522.395  11254.39   605.600  12464.17   1032.66  144.044 3.8817  151.393 6.2977  -7.348480      7.397878  
1 1 1 -17 14  13 o 100.678 3.0798  5495.11    335.839  5835.52    399.184  4670.48    621.297  103.731 3.5530  92.454  6.2410  11.27649       7.181455  
1 1 1 -17 14  14 o 202.213 3.9618  22188.87   867.713  22132.75   1005.35  22352.76   1718.12  201.886 4.5977  202.363 7.8388  -0.4769440     9.087684  
1 1 1 -17 14  15 o 201.525 3.9314  22044.18   858.108  22383.48   995.054  21059.69   1694.95  202.994 4.5258  196.275 7.9730  6.719284       9.167955  
1 1 1 -17 14  16 o 153.399 3.4305  12770.19   569.964  12485.14   663.066  13576.82   1115.42  151.616 4.0378  157.736 6.5288  -6.120316      7.676531  
1 1 1 -17 14  17 o 110.779 3.0682  6659.87    368.141  6665.67    534.171  6654.62    508.068  110.699 4.4552  110.630 4.2401  0.6888580E-01  6.150378  
1 1 1 -17 14  18 o 83.622  3.0773  3796.76    278.716  3708.14    414.030  3870.20    376.907  82.372  4.6598  84.338  4.1261  -1.966881      6.224020  
1 1 1 -17 14  19 o 102.612 3.0634  5720.92    340.460  6390.04    509.331  5180.45    457.754  108.268 4.3434  97.485  4.3354  10.78304       6.136825  
1 1 1 -17 14  20 o 62.833  3.4741  2155.65    235.510  2640.68    351.035  1758.63    317.592  69.344  4.7016  56.414  5.2583  12.92995       7.053709  
1 1 1 -17 14  21 o 18.750  7.9949  10.106     286.069  0.0000     0.0000   10.106     286.069  ?       ?       18.750  7.9949  0.000000       7.994937  
1 1 1 -17 14  22 o 31.927  8.1847  595.464    284.349  0.0000     0.0000   595.464    284.349  ?       ?       31.927  8.1847  0.000000       8.184658  
1 1 1 -17 14  23 o 55.737  5.4823  1733.47    326.679  0.0000     0.0000   1733.47    326.679  ?       ?       55.737  5.4823  0.000000       5.482253  
1 1 1 -17 14  24 o 99.753  4.5094  5480.12    487.212  0.0000     0.0000   5480.12    487.212  ?       ?       99.753  4.5094  0.000000       4.509448  
1 1 1 -17 14  25 o 67.380  5.3528  2543.43    387.426  0.0000     0.0000   2543.43    387.426  ?       ?       67.380  5.3528  0.000000       5.352790  
1 1 1 -17 14  26 o 34.271  8.7265  717.922    324.786  0.0000     0.0000   717.922    324.786  ?       ?       34.271  8.7265  0.000000       8.726545  
1 1 1 -17 14  27 o 44.181  1.7813  1061.57    85.240   615.907    393.616  1083.50    87.311   31.478  10.149  44.632  1.8062  -13.15361      10.30837  
1 1 1 -17 14  28 o 21.797  8.0832  247.607    253.814  416.790    415.370  146.793    320.639  27.138  10.283  21.060  8.6856  6.078005       13.45996  
1 1 1 -17 14  29 o 15.283  6.8742  -58.7747   238.354  -3.2813    416.708  -85.7597   290.584  20.394  9.1376  16.480  7.4840  3.914019       11.81122  
1 1 1 -17 14  30 o 18.967  8.6836  -74.0618   401.519  -74.0618   401.519  0.0000     0.0000   18.967  8.6836  ?       ?       0.000000       8.683552  
1 1 1 -17 14  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 14  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 15  1  o 264.350 4.7559  37908.12   1361.72  38270.07   1924.62  37545.30   1926.91  265.390 6.6956  262.856 6.7682  2.534546       9.520476  
1 1 1 -17 15  2  o 110.626 2.8420  6631.53    340.521  6199.97    474.667  7089.14    488.780  106.931 4.0984  114.347 3.9466  -7.416122      5.689664  
1 1 1 -17 15  3  o 173.231 3.5400  16266.62   664.196  16823.55   936.513  15702.98   942.141  176.096 4.9102  170.117 5.1133  5.978546       7.089083  
1 1 1 -17 15  4  o 271.442 4.8448  39972.61   1424.38  38555.88   2011.30  41398.07   2017.48  266.337 6.9723  276.011 6.7486  -9.673920      9.703405  
1 1 1 -17 15  5  o 432.716 7.2871  101814.70  3415.28  98632.13   4827.64  105003.40  4832.22  424.977 10.488  438.597 10.172  -13.62000      14.61073  
1 1 1 -17 15  6  o 188.001 3.7007  19161.23   753.553  18633.39   869.291  20757.01   1511.48  185.356 4.3300  195.388 7.1422  -10.03143      8.352268  
1 1 1 -17 15  7  o 97.554  4.0809  5160.75    431.188  4861.83    599.690  5480.70    620.422  94.436  5.8924  100.304 5.7346  -5.868584      8.222285  
1 1 1 -17 15  8  o 114.287 3.3603  7080.18    415.950  7686.06    514.034  5930.97    707.939  119.054 3.9864  104.290 6.2968  14.76383       7.452606  
1 1 1 -17 15  9  f 230.132 4.3036  28726.92   1072.69  28508.93   1238.71  29380.59   2145.00  229.194 4.9900  232.194 8.5292  -2.999313      9.881618  
1 1 1 -17 15  10 f 218.618 4.1660  25923.80   986.457  26059.36   1139.82  25519.28   1968.97  219.132 4.8024  216.382 8.4013  2.749969       9.677076  
1 1 1 -17 15  11 o 147.177 3.2578  11742.72   519.315  11872.50   602.811  11369.17   1022.72  147.962 3.7615  144.591 6.5305  3.371506       7.536351  
1 1 1 -17 15  12 o 184.831 3.7258  18528.19   745.867  18012.12   862.592  20057.35   1484.84  182.188 4.3714  191.926 7.1429  -9.738464      8.374369  
1 1 1 -17 15  13 o 182.777 3.7296  18120.83   738.342  17498.70   855.270  19940.97   1462.89  179.556 4.3978  191.344 7.0587  -11.78722      8.316624  
1 1 1 -17 15  14 o 274.052 4.9649  40804.58   1473.70  40684.74   1703.52  41161.04   2937.96  273.498 5.7507  273.933 9.9022  -0.4350281     11.45092  
1 1 1 -17 15  15 o 227.613 4.2966  28134.97   1059.23  28033.67   1227.08  28431.15   2098.19  227.092 4.9888  227.883 8.5009  -0.7908478     9.856620  
1 1 1 -17 15  16 f 14.619  6.1537  12.753     165.875  -160.5298  216.720  257.848    257.743  13.806  6.3423  23.219  8.2093  -9.412852      10.37385  
1 1 1 -17 15  17 o 59.235  3.4436  1911.71    219.980  2238.03    335.047  1664.46    291.646  63.929  4.8755  55.068  4.9424  8.861317       6.942454  
1 1 1 -17 15  18 o 128.450 3.1596  8960.60    439.582  9332.93    634.022  8615.95    610.000  130.906 4.4717  125.777 4.4777  5.129707       6.328221  
1 1 1 -17 15  19 o 64.189  3.3979  2246.72    235.396  2311.71    371.415  2203.08    304.320  64.793  5.3401  63.403  4.4599  1.389168       6.957529  
1 1 1 -17 15  20 o 138.526 3.2500  10440.17   487.619  11327.24   698.771  9598.21    680.775  143.993 4.4805  132.478 4.7445  11.51462       6.525689  
1 1 1 -17 15  21 o 92.920  3.3214  4702.33    334.276  4492.25    479.055  4901.69    466.664  90.391  4.9116  94.635  4.5528  -4.244614      6.697190  
1 1 1 -17 15  22 o 122.354 3.2735  8160.18    433.818  8688.19    629.739  7683.29    598.477  125.847 4.6200  118.330 4.6696  7.517860       6.568894  
1 1 1 -17 15  23 o 73.036  4.7865  2947.76    376.548  0.0000     0.0000   2947.76    376.548  ?       ?       73.036  4.7865  0.000000       4.786516  
1 1 1 -17 15  24 f 39.324  7.2849  899.130    298.855  0.0000     0.0000   899.130    298.855  ?       ?       39.324  7.2849  0.000000       7.284879  
1 1 1 -17 15  25 o 42.715  7.4234  1067.79    330.972  0.0000     0.0000   1067.79    330.972  ?       ?       42.715  7.4234  0.000000       7.423360  
1 1 1 -17 15  26 o 35.059  8.1387  742.915    303.101  0.0000     0.0000   742.915    303.101  ?       ?       35.059  8.1387  0.000000       8.138665  
1 1 1 -17 15  27 o 18.312  7.8776  21.619     282.181  0.0000     0.0000   21.619     282.181  ?       ?       18.312  7.8776  0.000000       7.877591  
1 1 1 -17 15  28 o 25.774  9.2003  389.720    324.474  0.0000     0.0000   389.720    324.474  ?       ?       25.774  9.2003  0.000000       9.200342  
1 1 1 -17 15  29 o 21.609  7.9747  265.036    246.451  629.107    426.035  81.932     302.135  29.984  10.559  19.088  8.1797  10.89609       13.35697  
1 1 1 -17 15  30 o 34.141  10.915  891.223    455.996  891.223    455.996  0.0000     0.0000   34.141  10.915  ?       ?       0.000000       10.91477  
1 1 1 -17 15  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 15  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 16  1  o 296.912 5.2838  47841.43   1699.21  47619.44   2401.77  48063.89   2404.33  295.909 7.4938  297.292 7.4669  -1.382172      10.57884  
1 1 1 -17 16  2  o 260.062 4.7364  36687.86   1334.12  38106.81   1885.18  35264.23   1888.28  264.838 6.5721  254.734 6.8440  10.10391       9.488537  
1 1 1 -17 16  3  o 237.578 4.3977  30611.42   1131.63  31609.39   1598.09  29607.73   1602.65  241.256 6.1158  233.468 6.3378  7.787857       8.807436  
1 1 1 -17 16  4  o 331.536 5.7642  59675.89   2069.87  59262.52   2925.05  60090.51   2929.43  329.964 8.1846  332.270 8.1400  -2.306213      11.54323  
1 1 1 -17 16  5  o 231.424 4.5466  29050.39   1139.65  29394.39   1234.86  27074.22   2959.73  232.761 4.8982  221.954 12.361  10.80704       13.29590  
1 1 1 -17 16  6  o 118.992 2.9684  7673.17    382.572  7886.81    441.144  7025.07    768.351  120.625 3.3766  113.548 6.2719  7.076988       7.123042  
1 1 1 -17 16  7  o 118.613 3.4987  7626.66    449.480  7533.25    547.027  7820.80    788.627  117.855 4.2854  119.838 6.0960  -1.983177      7.451527  
1 1 1 -17 16  8  o 407.057 8.0072  90214.96   3530.25  88712.76   4322.22  93225.35   6118.61  403.084 9.9001  411.667 13.723  -8.582123      16.92108  
1 1 1 -17 16  9  o 307.766 5.4090  51425.99   1803.05  50418.91   2081.31  54454.94   3609.55  304.598 6.3087  315.577 10.560  -10.97879      12.30123  
1 1 1 -17 16  10 o 448.346 7.5620  109433.20  3672.16  108658.70  4240.04  111757.40  7345.41  446.353 8.7704  449.584 15.085  -3.231262      17.44898  
1 1 1 -17 16  11 o 273.944 4.9170  40738.33   1458.93  41873.39   1685.22  37342.80   2914.75  277.635 5.6042  261.222 10.302  16.41251       11.72766  
1 1 1 -17 16  12 o 166.252 3.5275  14988.51   635.191  14833.17   736.007  15441.92   1257.39  165.349 4.1097  168.429 6.8926  -3.080643      8.024827  
1 1 1 -17 16  13 o 122.783 3.1158  8173.47    414.359  8179.06    482.224  8157.67    810.042  122.800 3.6256  122.468 6.1068  0.3326035      7.101996  
1 1 1 -17 16  14 o 57.324  3.6315  1789.84    224.309  1858.94    274.461  1650.83    389.258  58.351  4.3745  54.643  6.7186  3.707775       8.017213  
1 1 1 -17 16  15 o 224.049 4.1986  27259.03   1018.87  28338.26   1180.07  24098.36   2019.47  228.351 4.7713  209.668 8.8927  18.68272       10.09186  
1 1 1 -17 16  16 o 33.309  5.2594  618.488    183.443  671.406    231.718  529.634    300.258  34.533  6.4319  30.653  8.6610  3.880455       10.78801  
1 1 1 -17 16  17 o 81.503  3.1186  3605.56    275.300  3891.10    328.358  2929.88    505.107  84.638  3.5819  72.921  6.4623  11.71725       7.388544  
1 1 1 -17 16  18 o 76.573  3.1446  3184.48    260.803  2897.09    389.438  3418.18    351.184  72.713  4.9748  79.147  4.1108  -6.434189      6.453434  
1 1 1 -17 16  19 o 75.514  3.2647  3100.17    267.017  3311.06    405.122  2938.19    355.052  77.714  4.8370  73.253  4.4968  4.461472       6.604352  
1 1 1 -17 16  20 o 109.329 3.1749  6502.11    375.956  5988.28    534.547  7005.08    528.863  104.639 4.7165  113.266 4.3110  -8.626945      6.389824  
1 1 1 -17 16  21 f 77.577  3.4282  3279.03    288.055  3047.69    403.696  3518.99    411.148  74.365  5.0418  80.003  4.7665  -5.637863      6.938236  
1 1 1 -17 16  22 o 87.453  3.3235  4169.99    314.800  4578.67    466.289  3827.72    426.725  91.202  4.7367  83.365  4.7456  7.837616       6.705035  
1 1 1 -17 16  23 f 35.533  6.1293  720.519    227.374  613.532    365.701  787.941    290.308  32.289  9.6862  36.789  7.5390  -4.500488      12.27436  
1 1 1 -17 16  24 o 62.210  3.9731  2132.24    266.307  2264.42    418.496  2042.30    345.222  63.372  6.1756  60.467  5.3255  2.904736       8.154702  
1 1 1 -17 16  25 o 30.969  8.8670  577.002    312.572  0.0000     0.0000   577.002    312.572  ?       ?       30.969  8.8670  0.000000       8.866964  
1 1 1 -17 16  26 o 96.569  4.5902  5177.99    480.110  0.0000     0.0000   5177.99    480.110  ?       ?       96.569  4.5902  0.000000       4.590216  
1 1 1 -17 16  27 o 29.546  8.7159  535.800    298.013  0.0000     0.0000   535.800    298.013  ?       ?       29.546  8.7159  0.000000       8.715923  
1 1 1 -17 16  28 o 47.931  6.6200  1359.95    334.501  0.0000     0.0000   1359.95    334.501  ?       ?       47.931  6.6200  0.000000       6.620042  
1 1 1 -17 16  29 o 41.493  8.2000  1110.88    355.450  0.0000     0.0000   1110.88    355.450  ?       ?       41.493  8.2000  0.000000       8.199951  
1 1 1 -17 16  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 16  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 16  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 17  1  o 422.490 7.2103  97046.43   3299.45  97626.78   4665.34  96465.69   4666.90  422.926 10.185  420.382 10.250  2.543549       14.44944  
1 1 1 -17 17  2  o 262.600 4.7586  37408.66   1353.44  38024.66   1912.58  36790.75   1915.54  264.534 6.6753  260.191 6.7972  4.343567       9.526839  
1 1 1 -17 17  3  o 123.981 2.9834  8329.98    400.625  8364.92    558.441  8292.92    575.063  124.201 4.1513  123.660 4.2935  0.5413132      5.972225  
1 1 1 -17 17  4  o 209.423 3.9901  23780.53   905.054  23236.15   1273.31  24336.38   1286.67  206.883 5.6825  211.731 5.6107  -4.847885      7.985632  
1 1 1 -17 17  5  o 169.775 3.4950  15624.29   642.673  15964.09   741.284  14595.90   1289.59  171.587 3.9887  163.834 7.2674  7.752304       8.290003  
1 1 1 -17 17  6  o 71.971  2.8506  2806.93    222.211  3071.91    255.803  1992.10    448.574  75.286  3.1370  60.129  7.0199  15.15697       7.688989  
1 1 1 -17 17  7  o 136.907 3.6338  10161.54   538.837  10169.48   655.505  10144.99   946.222  136.925 4.4200  136.641 6.3936  0.2840729      7.772649  
1 1 1 -17 17  8  o 271.680 5.5846  40077.43   1643.31  36328.75   2010.92  47613.40   2851.19  258.440 7.1840  295.524 8.9076  -37.08398      11.44359  
1 1 1 -17 17  9  o 303.421 5.3246  49981.80   1749.87  49339.71   2019.63  51915.28   3504.65  301.335 6.1880  308.131 10.501  -6.796234      12.18878  
1 1 1 -17 17  10 o 353.299 6.0977  67831.07   2333.34  66539.59   2693.58  71713.91   4670.47  349.702 7.1115  361.510 11.928  -11.80750      13.88712  
1 1 1 -17 17  11 o 291.174 5.1730  46037.38   1631.43  45194.46   1883.53  48569.14   3264.30  288.357 6.0307  297.948 10.115  -9.590393      11.77666  
1 1 1 -17 17  12 o 231.661 4.3250  29122.58   1085.21  28987.04   1254.43  29525.74   2163.47  231.040 5.0129  232.563 8.5889  -1.522507      9.944813  
1 1 1 -17 17  13 o 125.610 3.1551  8554.59    429.244  8176.83    498.884  9631.43    842.304  122.775 3.7516  133.091 5.8432  -10.31609      6.943866  
1 1 1 -17 17  14 o 113.777 3.1159  7019.70    383.974  7123.65    450.772  6744.84    732.994  114.589 3.6320  111.153 6.1120  3.435974       7.109675  
1 1 1 -17 17  15 o 191.153 3.7930  19833.05   785.301  20267.44   909.870  18564.47   1554.90  193.166 4.3489  184.266 7.7909  8.900009       8.922513  
1 1 1 -17 17  16 o 129.305 3.2195  9072.62    450.897  9146.55    528.649  8875.30    863.729  129.784 3.7608  127.542 6.2525  2.242088       7.296371  
1 1 1 -17 17  17 o 65.166  3.4136  2312.45    240.101  2493.75    296.232  1965.27    409.927  67.604  4.0645  59.606  6.4526  7.998451       7.626052  
1 1 1 -17 17  18 o 121.380 3.1417  8002.33    413.034  7681.93    596.669  8297.12    572.327  118.720 4.6402  123.440 4.2807  -4.720947      6.313191  
1 1 1 -17 17  19 o 76.404  3.1818  3173.32    263.304  3522.42    408.213  2924.60    344.562  80.179  4.7215  73.098  4.3721  7.081154       6.434853  
1 1 1 -17 17  20 o 37.822  5.2667  798.877    209.897  500.269    303.294  1073.35    290.779  29.633  8.8057  43.699  6.3278  -14.06600      10.84347  
1 1 1 -17 17  21 o 48.472  4.5138  1296.76    234.252  1710.30    328.653  869.721    333.976  55.489  5.5425  38.713  8.2191  16.77602       9.913283  
1 1 1 -17 17  22 o 46.740  4.5187  1208.95    225.903  1166.57    329.594  1246.49    310.233  45.258  6.9456  47.024  6.2457  -1.765396      9.340802  
1 1 1 -17 17  23 o 102.093 3.3042  5689.41    365.367  6139.97    544.462  5320.30    492.806  105.612 4.7597  98.355  4.6261  7.257774       6.637426  
1 1 1 -17 17  24 o 69.270  2.7087  2614.96    203.223  2763.56    245.556  2291.91    362.049  71.125  3.1876  64.094  5.2618  7.030823       6.151973  
1 1 1 -17 17  25 o 62.278  4.0856  2145.01    274.063  2589.15    444.180  1871.98    348.256  67.608  6.1325  57.608  5.6543  10.00010       8.341404  
1 1 1 -17 17  26 o 40.218  5.6958  925.970    241.172  855.557    389.337  969.809    307.210  37.041  9.6190  40.535  7.2642  -3.493881      12.05375  
1 1 1 -17 17  27 f 30.233  8.7013  563.634    300.297  0.0000     0.0000   563.634    300.297  ?       ?       30.233  8.7013  0.000000       8.701263  
1 1 1 -17 17  28 o 29.709  8.8429  562.123    305.678  0.0000     0.0000   562.123    305.678  ?       ?       29.709  8.8429  0.000000       8.842909  
1 1 1 -17 17  29 o 19.152  8.3036  66.576     318.500  0.0000     0.0000   66.576     318.500  ?       ?       19.152  8.3036  0.000000       8.303627  
1 1 1 -17 17  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 17  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 17  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 18  1  o 401.691 6.8782  87699.02   2992.50  87137.16   4231.22  88261.31   4232.84  399.667 9.7746  402.255 9.7154  -2.587372      13.78154  
1 1 1 -17 18  2  o 48.428  3.0196  1275.88    157.594  1247.36    205.308  1316.78    245.881  47.796  4.0027  49.046  4.6856  -1.249897      6.162528  
1 1 1 -17 18  3  f 187.673 3.7159  19094.31   755.337  19306.36   1062.08  18877.29   1074.44  188.617 5.1988  186.500 5.3191  2.116776       7.437762  
1 1 1 -17 18  4  o 295.062 5.1971  47246.84   1660.92  47324.36   1916.82  47013.28   3327.25  295.202 5.9950  293.398 10.470  1.804352       12.06513  
1 1 1 -17 18  5  o 244.601 4.5043  32452.36   1193.30  32932.65   1377.18  31005.39   2390.40  246.343 5.1616  238.476 9.2546  7.867111       10.59664  
1 1 1 -17 18  6  o 351.540 6.5260  67154.23   2484.81  67199.63   2664.39  66851.11   6884.87  351.569 6.9971  346.199 18.427  5.369293       19.71118  
1 1 1 -17 18  7  o 312.511 6.3524  53065.86   2150.18  53413.34   2631.85  52368.43   3728.68  313.277 7.7564  309.390 11.127  3.887421       13.56367  
1 1 1 -17 18  8  o 159.280 3.9376  13757.45   679.309  14049.28   829.485  13163.11   1183.76  160.912 4.7594  155.578 7.0250  5.334076       8.485382  
1 1 1 -17 18  9  o 164.879 3.4709  14737.88   619.834  14363.97   714.736  15872.10   1244.84  162.742 4.0549  170.854 6.7270  -8.111679      7.854547  
1 1 1 -17 18  10 o 149.841 3.3162  12171.72   538.197  12499.17   621.674  11192.12   1075.26  151.819 3.7806  143.435 6.9213  8.384583       7.886582  
1 1 1 -17 18  11 o 252.623 4.6178  34636.25   1263.52  33945.55   1458.27  36716.46   2530.76  249.994 5.3856  259.310 9.0107  -9.315964      10.49756  
1 1 1 -17 18  12 o 92.375  3.0363  4625.82    303.789  4712.52    357.050  4398.50    578.160  93.220  3.5363  89.748  5.9820  3.471214       6.949084  
1 1 1 -17 18  13 o 201.899 3.9569  22117.34   865.288  21465.67   1000.35  24053.75   1724.38  198.831 4.6451  210.022 7.5805  -11.19044      8.890519  
1 1 1 -17 18  14 o 30.159  6.1163  512.908    192.956  609.641    247.477  362.924    308.156  32.807  7.1653  26.656  8.9964  6.150742       11.50113  
1 1 1 -17 18  15 o 97.413  3.0858  5146.86    325.580  4928.88    383.422  5710.29    616.440  95.295  3.7148  102.276 5.5859  -6.981834      6.708355  
1 1 1 -17 18  16 o 128.604 3.2226  8975.10    448.881  9003.94    526.349  8898.19    859.586  128.762 3.7741  127.698 6.2149  1.063683       7.271101  
1 1 1 -17 18  17 o 121.695 3.1357  8039.67    413.316  8650.78    489.684  6525.79    770.727  126.189 3.5828  109.007 6.5585  17.18272       7.473307  
1 1 1 -17 18  18 o 108.361 3.0763  6377.47    361.053  6128.51    526.748  6598.09    495.863  106.037 4.5864  110.088 4.1587  -4.050362      6.191105  
1 1 1 -17 18  19 o 14.592  6.2555  -7.4428    176.839  -60.0951   288.830  24.130     223.661  17.833  7.8162  16.998  7.1499  0.8352737      10.59311  
1 1 1 -17 18  20 o 111.893 3.1771  6811.69    385.031  7049.89    550.631  6583.80    538.601  113.574 4.4762  109.743 4.5313  3.830910       6.369387  
1 1 1 -17 18  21 o 73.931  3.4972  2979.26    280.036  3007.19    394.694  2950.96    397.382  73.876  4.9616  73.157  5.0460  0.7185287      7.076645  
1 1 1 -17 18  22 o 30.097  6.5384  522.362    207.043  265.895    303.683  745.105    283.014  23.917  8.8473  35.826  7.5325  -11.90953      11.61949  
1 1 1 -17 18  23 f 15.893  6.8254  -3.2009    211.188  94.542     342.394  -63.2194   268.304  21.523  8.9343  16.917  7.4696  4.606932       11.64545  
1 1 1 -17 18  24 o 22.236  1.9444  270.673    46.357   583.206    356.164  265.287    46.755   31.347  9.5934  22.007  1.9829  9.340157       9.796138  
1 1 1 -17 18  25 o 47.649  4.9416  1273.00    251.323  1579.55    416.853  1097.94    315.014  52.016  7.6255  43.506  6.9166  8.509708       10.29507  
1 1 1 -17 18  26 o 74.755  3.6835  3076.53    298.245  3058.29    462.655  3089.50    390.123  73.416  5.8673  74.315  4.8738  -0.8988190     7.627507  
1 1 1 -17 18  27 o 96.771  3.4488  5157.04    361.481  5798.34    549.712  4668.48    479.811  101.693 4.9909  91.205  4.8748  10.48789       6.976562  
1 1 1 -17 18  28 o 17.773  7.3864  83.222     234.435  -144.0453  401.209  201.047    288.884  18.993  8.6896  21.292  8.4326  -2.298996      12.10860  
1 1 1 -17 18  29 o 5.8358  2.7420  -45.4484   44.195   -51.1445   44.420   511.509    439.237  5.7116  2.7035  27.669  10.552  -21.95737      10.89302  
1 1 1 -17 18  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 18  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 18  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 19  1  o 274.275 4.9194  40815.44   1461.40  40317.80   2064.69  41315.06   2068.78  272.338 6.9996  275.696 6.9281  -3.358154      9.848538  
1 1 1 -17 19  2  o 192.050 3.7724  19996.05   784.695  20197.66   1105.61  19791.42   1113.89  192.913 5.2914  190.956 5.3856  1.957260       7.550102  
1 1 1 -17 19  3  o 141.959 2.8049  10920.19   431.269  10303.05   552.511  11882.53   689.945  137.858 3.7003  148.021 4.3035  -10.16272      5.675585  
1 1 1 -17 19  4  o 36.782  1.9034  734.862    75.569   874.240    159.222  694.336    85.856   39.985  3.7192  35.730  2.2296  4.254532       4.336296  
1 1 1 -17 19  5  o 153.222 3.2969  12724.90   547.133  12769.27   631.155  12590.76   1097.50  153.467 3.7971  152.210 6.6572  1.256699       7.663965  
1 1 1 -17 19  6  o 132.743 3.0824  9549.86    443.177  9482.11    510.715  9756.43    891.724  132.254 3.5653  134.018 6.1433  -1.763626      7.102901  
1 1 1 -17 19  7  o 171.150 4.0420  15884.93   749.283  15808.17   916.345  16039.79   1301.60  170.678 4.9569  171.749 6.9970  -1.071823      8.574901  
1 1 1 -17 19  8  o 226.931 4.9033  27946.32   1205.20  27381.01   1473.71  29087.82   2094.15  224.503 6.0607  231.065 8.3676  -6.562729      10.33194  
1 1 1 -17 19  9  o 277.052 5.2953  41673.75   1588.99  41729.36   1712.80  41330.30   4256.69  277.181 5.7052  273.340 14.429  3.840973       15.51609  
1 1 1 -17 19  10 o 92.255  2.9910  4613.06    298.863  4613.84    346.345  4610.79    591.384  92.249  3.4664  91.922  5.9723  0.3267441      6.905374  
1 1 1 -17 19  11 o 114.090 3.0281  7055.85    374.189  6843.74    431.350  7700.86    752.187  112.342 3.5450  119.037 5.8341  -6.694839      6.826691  
1 1 1 -17 19  12 o 171.899 3.5415  16024.82   659.382  16397.15   763.946  14937.10   1305.74  173.847 4.0572  165.591 7.2803  8.255951       8.334480  
1 1 1 -17 19  13 o 102.563 3.0666  5703.39    340.655  5204.54    409.526  6823.85    613.757  97.942  3.8605  112.074 5.0562  -14.13210      6.361457  
1 1 1 -17 19  14 o 213.318 4.1113  24702.11   949.903  24457.84   1100.22  25417.31   1882.63  212.171 4.7877  215.655 8.0600  -3.483597      9.374738  
1 1 1 -17 19  15 f 164.486 3.5695  14683.18   635.930  13586.19   737.114  17876.43   1257.62  158.146 4.3033  181.066 6.4127  -22.91940      7.722791  
1 1 1 -17 19  16 o 183.890 3.7576  18365.51   748.404  18183.34   868.808  18889.52   1473.52  182.881 4.3862  185.753 7.3241  -2.871368      8.536999  
1 1 1 -17 19  17 o 134.180 3.2821  9776.86    476.988  9950.62    561.002  9323.53    906.147  135.301 3.8282  130.534 6.4092  4.767059       7.465462  
1 1 1 -17 19  18 o 198.097 3.8948  21353.72   835.660  21728.37   1189.60  20988.74   1174.15  199.352 5.5095  195.921 5.5331  3.430283       7.808352  
1 1 1 -17 19  19 o 99.474  3.1566  5379.67    340.099  5754.43    504.617  5067.75    460.368  102.667 4.5379  96.369  4.4106  6.298805       6.328230  
1 1 1 -17 19  20 f 115.158 3.1874  7215.84    397.561  7062.68    567.998  7362.94    556.647  113.635 4.6149  116.071 4.4278  -2.435905      6.395515  
1 1 1 -17 19  21 o 120.529 3.2379  7911.82    422.685  7625.17    604.640  8185.79    591.124  117.948 4.7330  122.288 4.4630  -4.340141      6.505360  
1 1 1 -17 19  22 o 62.627  3.7163  2150.41    250.955  1829.48    365.180  2437.59    345.449  57.172  5.9860  66.421  4.8351  -9.248566      7.694828  
1 1 1 -17 19  23 o 46.775  4.8043  1217.19    239.939  1232.66    373.997  1206.37    312.796  46.139  7.7594  46.087  6.4424  0.5144501E-01  10.08525  
1 1 1 -17 19  24 o 39.571  5.7149  888.750    237.842  785.385    394.797  947.637    297.987  35.947  9.8488  40.434  7.0612  -4.486835      12.11853  
1 1 1 -17 19  25 o 81.161  3.5254  3613.64    309.902  3848.31    476.942  3442.17    407.696  82.913  5.3393  78.643  4.8095  4.270584       7.186091  
1 1 1 -17 19  26 o 24.998  7.7499  366.568    231.582  258.757    392.818  423.999    286.703  24.767  9.8256  26.831  8.6628  -2.063457      13.09906  
1 1 1 -17 19  27 o 28.128  7.5643  479.927    235.456  252.910    383.148  617.682    298.464  24.256  9.6783  31.585  8.5259  -7.328772      12.89805  
1 1 1 -17 19  28 o 23.763  7.9546  338.114    240.902  135.486    417.825  439.013    294.843  22.569  9.6437  26.557  8.7974  -3.988033      13.05355  
1 1 1 -17 19  29 o 50.633  6.7180  1567.89    359.323  1616.53    515.797  1522.03    500.853  48.024  10.230  46.570  10.211  1.454445       14.45368  
1 1 1 -17 19  30 o 35.668  11.650  1026.44    517.749  1026.44    517.749  0.0000     0.0000   35.668  11.650  ?       ?       0.000000       11.65028  
1 1 1 -17 19  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 19  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 20  1  o 200.678 3.9122  21835.21   850.328  21459.27   1199.60  22214.86   1205.51  198.821 5.5706  202.297 5.5019  -3.475983      7.829589  
1 1 1 -17 20  2  o 75.212  2.7383  3065.24    223.067  3264.30    302.846  2829.17    329.805  77.599  3.6033  72.104  4.2418  5.495346       5.565619  
1 1 1 -17 20  3  o 261.305 4.7404  37042.18   1341.62  37237.78   1547.84  36451.32   2690.21  261.920 5.4562  258.511 9.6081  3.408875       11.04921  
1 1 1 -17 20  4  o 181.533 3.5966  17864.55   707.160  17874.21   815.120  17835.16   1421.88  181.551 4.1453  181.101 7.2489  0.4504547      8.350415  
1 1 1 -17 20  5  o 228.399 4.5244  28297.14   1119.24  28469.65   1213.20  27311.00   2900.63  229.063 4.8900  222.957 12.056  6.105927       13.01036  
1 1 1 -17 20  6  o 201.423 3.9023  21998.86   851.332  22932.93   981.845  19169.29   1708.89  205.620 4.4087  187.598 8.4104  18.02147       9.495829  
1 1 1 -17 20  7  o 151.577 3.2818  12453.79   538.792  12386.79   621.106  12657.52   1083.02  151.146 3.7940  152.606 6.5523  -1.459961      7.571509  
1 1 1 -17 20  8  o 288.270 7.1547  45202.88   2233.91  40172.13   3154.28  50265.23   3164.18  271.004 10.746  303.440 9.6276  -32.43610      14.42812  
1 1 1 -17 20  9  o 178.821 3.7938  17339.97   734.787  17490.26   807.625  16617.71   1770.49  179.571 4.1524  174.218 9.4177  5.352448       10.29252  
1 1 1 -17 20  10 o 131.559 3.1203  9381.94    444.612  9271.08    511.748  9723.24    897.941  130.758 3.6134  133.743 6.1988  -2.985123      7.175068  
1 1 1 -17 20  11 o 128.434 3.1587  8942.49    439.402  8722.63    507.908  9596.58    876.067  126.820 3.6976  132.858 6.0881  -6.037262      7.123015  
1 1 1 -17 20  12 o 105.245 3.0434  6004.77    346.917  6027.73    403.993  5940.28    676.986  105.427 3.5380  104.349 6.0154  1.077919       6.978719  
1 1 1 -17 20  13 o 216.261 4.3580  25389.10   1020.78  25451.07   1111.37  25054.83   2581.31  216.477 4.7400  213.107 11.223  3.369797       12.18281  
1 1 1 -17 20  14 o 45.655  4.3212  1141.89    211.137  1529.33    263.994  454.152    351.723  52.855  4.6591  29.333  9.6034  23.52165       10.67391  
1 1 1 -17 20  15 o 220.911 4.1574  26507.02   994.738  27558.63   1151.05  23404.64   1977.04  225.154 4.7200  206.507 8.8391  18.64655       10.02042  
1 1 1 -17 20  16 o 214.589 4.1480  25027.73   964.075  24710.13   1116.63  25957.67   1910.73  213.084 4.8383  217.434 8.1134  -4.349854      9.446452  
1 1 1 -17 20  17 o 60.921  3.6115  2023.75    237.238  2216.69    298.019  1689.97    391.977  63.676  4.3471  55.151  6.6996  8.525063       7.986364  
1 1 1 -17 20  18 o 37.936  4.7215  796.888    189.804  800.439    241.792  791.185    306.377  37.750  6.1234  37.178  7.8546  0.5722618      9.959421  
1 1 1 -17 20  19 o 13.782  6.0305  -36.4470   171.303  -192.1632  290.856  46.254     211.966  16.146  7.3913  17.017  7.0438  -0.8713169     10.21016  
1 1 1 -17 20  20 o 25.554  7.1901  372.441    207.384  322.138    290.044  425.056    296.638  25.093  8.7202  27.670  8.7989  -2.576866      12.38795  
1 1 1 -17 20  21 o 43.494  4.7145  1048.71    218.540  921.195    320.124  1160.02    299.073  39.984  7.6710  45.399  6.2477  -5.415131      9.893318  
1 1 1 -17 20  22 o 62.013  2.5473  2091.50    171.096  1970.55    364.022  2125.79    193.842  59.427  5.7264  62.484  2.8642  -3.057228      6.402759  
1 1 1 -17 20  23 o 63.495  3.8859  2216.18    265.953  2675.23    410.650  1884.53    349.043  69.288  5.5177  58.049  5.6220  11.23838       7.877277  
1 1 1 -17 20  24 o 59.065  2.5526  1900.36    163.300  1924.61    186.440  1820.44    338.432  59.391  2.8983  56.948  5.5577  2.443581       6.268054  
1 1 1 -17 20  25 o 16.841  7.0383  46.987     214.552  -61.5836   353.770  110.154    269.842  19.335  8.5553  19.688  8.0259  -0.3531494     11.73067  
1 1 1 -17 20  26 o 18.155  7.3524  100.017    224.703  197.545    385.683  49.902     276.471  23.631  9.6100  18.683  7.9090  4.947927       12.44605  
1 1 1 -17 20  27 o 70.833  2.8439  2749.51    218.186  2790.67    265.741  2664.39    382.207  71.165  3.4476  68.627  5.1802  2.537872       6.222594  
1 1 1 -17 20  28 o 25.139  8.0196  389.654    246.275  858.732    445.296  182.949    295.598  35.303  10.711  20.997  8.4576  14.30600       13.64728  
1 1 1 -17 20  29 o 21.715  8.7133  234.579    312.437  474.219    450.899  13.252     433.329  27.014  10.587  20.679  9.2877  6.335709       14.08317  
1 1 1 -17 20  30 o 26.611  10.654  478.060    466.023  478.060    466.023  0.0000     0.0000   26.611  10.654  ?       ?       0.000000       10.65445  
1 1 1 -17 20  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 20  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 21  1  o 107.572 2.7847  6270.49    324.455  5961.75    457.540  6582.79    460.167  104.855 4.0287  110.187 3.8558  -5.332138      5.576561  
1 1 1 -17 21  2  o 164.467 3.1465  14660.07   560.508  14642.79   696.169  14691.92   945.053  164.335 3.9112  164.528 5.3033  -0.1926117     6.589598  
1 1 1 -17 21  3  o 182.247 3.8308  18007.94   756.180  18275.96   827.877  16658.55   1857.61  183.579 4.1636  174.445 9.8721  9.134125       10.71422  
1 1 1 -17 21  4  o 182.119 3.6402  17980.81   718.047  18491.72   827.811  16428.34   1443.01  184.660 4.1389  173.764 7.6672  10.89560       8.713058  
1 1 1 -17 21  5  o 285.598 5.1052  44265.70   1579.21  44733.46   1822.53  42856.36   3163.56  287.007 5.8629  280.079 10.429  6.927155       11.96364  
1 1 1 -17 21  6  f 312.799 5.4720  53118.49   1853.88  53643.43   2139.69  51537.85   3712.91  314.217 6.2871  306.912 11.169  7.304871       12.81733  
1 1 1 -17 21  7  o 85.394  2.8201  3951.76    260.830  4020.52    299.642  3736.70    529.905  86.125  3.2122  82.730  5.9536  3.395805       6.764883  
1 1 1 -17 21  8  o 93.058  4.2980  4697.40    433.200  4516.47    617.019  4873.28    608.347  90.948  6.3026  94.526  5.9727  -3.578354      8.683085  
1 1 1 -17 21  9  o 232.691 4.6812  29382.11   1179.79  28650.27   1278.15  33595.11   3066.70  229.727 5.1369  247.568 11.437  -17.84062      12.53753  
1 1 1 -17 21  10 o 149.222 3.3117  12071.97   535.242  11640.43   617.143  13381.88   1075.21  146.500 3.8893  156.883 6.3277  -10.38292      7.427462  
1 1 1 -17 21  11 f 177.083 3.6352  17006.14   697.218  16403.95   805.833  18799.28   1390.54  173.872 4.2790  185.842 6.9083  -11.97021      8.126149  
1 1 1 -17 21  12 o 97.601  3.0637  5164.33    323.864  4871.90    375.649  6011.05    639.209  94.775  3.6595  105.013 5.6406  -10.23792      6.723656  
1 1 1 -17 21  13 o 89.730  3.1452  4365.91    305.674  4278.66    362.784  4579.45    567.565  88.804  3.7718  91.581  5.7511  -2.777824      6.877586  
1 1 1 -17 21  14 o 76.809  3.2921  3200.14    273.876  3103.51    329.785  3414.89    491.642  75.502  4.0475  79.003  5.7858  -3.501137      7.061021  
1 1 1 -17 21  15 o 146.759 3.3416  11687.19   531.173  11591.20   618.722  11956.21   1035.80  146.102 3.9099  148.039 6.4599  -1.937042      7.551054  
1 1 1 -17 21  16 o 132.986 3.2686  9599.74    470.804  9520.89    550.933  9813.23    906.515  132.380 3.8424  134.044 6.2439  -1.664841      7.331484  
1 1 1 -17 21  17 o 106.081 3.1229  6110.02    358.808  6141.21    425.142  6032.79    668.934  106.296 3.6927  104.895 5.9120  1.401299       6.970487  
1 1 1 -17 21  18 o 33.408  5.2433  624.317    183.480  566.935    235.067  713.787    293.522  31.488  7.0661  35.269  7.8821  -3.780836      10.58570  
1 1 1 -17 21  19 o 14.132  5.9132  20.449     151.705  -41.3769   289.102  43.942     178.212  18.102  7.8797  15.739  6.4813  2.362764       10.20281  
1 1 1 -17 21  20 o 43.916  4.6052  1066.33    215.790  1494.85    315.135  688.014    296.099  51.834  5.7078  34.443  8.0772  17.39121       9.890436  
1 1 1 -17 21  21 o 39.808  6.0614  894.453    253.090  -186.5967  498.823  1269.22    293.702  22.149  9.9552  47.629  5.8139  -25.48024      11.52860  
1 1 1 -17 21  22 o 69.957  3.5331  2679.00    266.837  3060.65    389.143  2340.30    366.595  74.445  4.8527  64.942  5.2569  9.502922       7.154278  
1 1 1 -17 21  23 f 47.591  4.8766  1261.12    247.821  1474.08    401.915  1130.48    314.783  50.596  7.5664  44.473  6.7467  6.122616       10.13749  
1 1 1 -17 21  24 o 53.413  4.4222  1582.68    253.535  1647.31    395.596  1537.62    330.283  53.588  6.9815  52.145  5.9547  1.443081       9.176070  
1 1 1 -17 21  25 o 23.285  2.5103  298.954    62.307   283.270    63.812   619.811    288.626  22.634  2.6533  32.085  8.2571  -9.450890      8.672947  
1 1 1 -17 21  26 o 58.346  4.2161  1893.48    264.640  2072.99    420.178  1775.46    340.708  59.975  6.5763  55.879  5.7096  4.095783       8.709029  
1 1 1 -17 21  27 f 39.066  6.4409  896.494    263.034  884.499    481.541  901.595    314.022  36.530  11.150  38.528  7.7928  -1.997719      13.60356  
1 1 1 -17 21  28 o 15.695  6.9710  -37.9371   237.044  -232.7943  432.743  45.594     283.332  18.770  8.7404  18.326  7.8886  0.4435349      11.77391  
1 1 1 -17 21  29 o 20.260  8.4698  153.449    310.845  60.363     449.277  238.926    430.526  21.437  9.5547  23.338  9.8738  -1.900261      13.73984  
1 1 1 -17 21  30 o 10.513  3.3498  61.067     42.979   61.067     42.979   0.0000     0.0000   10.513  3.3498  ?       ?       0.000000       3.349828  
1 1 1 -17 21  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 21  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 22  1  o 330.469 5.1298  59267.05   1836.12  58751.55   2368.77  60042.98   2906.18  328.794 6.6517  332.110 8.0792  -3.316284      10.46511  
1 1 1 -17 22  2  o 105.494 2.8295  6030.72    323.302  6133.85    369.649  5695.08    666.859  106.382 3.2081  102.222 6.0500  4.160088       6.847976  
1 1 1 -17 22  3  f 49.919  2.9252  1355.03    157.465  1353.31    177.053  1361.53    344.417  49.859  3.2972  49.627  6.5690  0.2314453      7.350072  
1 1 1 -17 22  4  o 37.338  2.0606  757.563    83.009   1037.93    161.706  657.249    96.726   43.622  3.4508  34.732  2.5899  8.890205       4.314537  
1 1 1 -17 22  5  o 108.385 2.8382  6366.02    333.179  5969.25    382.280  7619.76    679.547  104.939 3.3634  118.482 5.2954  -13.54259      6.273212  
1 1 1 -17 22  6  o 169.133 3.5028  15507.49   641.667  15850.54   739.568  14462.94   1290.51  170.967 3.9939  163.057 7.3072  7.909637       8.327435  
1 1 1 -17 22  7  o 133.267 3.0623  9625.79    442.018  9531.05    509.004  9916.36    891.407  132.592 3.5443  135.104 6.0917  -2.511902      7.047768  
1 1 1 -17 22  8  o 239.520 5.1443  31142.52   1334.57  30778.78   1633.13  31873.70   2315.45  237.971 6.3362  241.757 8.8428  -3.785080      10.87847  
1 1 1 -17 22  9  o 137.423 3.6900  10240.48   549.240  9681.16    670.565  11380.60   957.377  133.568 4.6352  144.710 6.1082  -11.14148      7.667828  
1 1 1 -17 22  10 o 144.652 3.2828  11343.91   514.323  10978.64   593.734  12442.01   1029.45  142.275 3.8530  151.272 6.2831  -8.997040      7.370427  
1 1 1 -17 22  11 o 180.226 3.6559  17615.88   713.652  17453.38   824.031  18103.49   1427.43  179.348 4.2421  182.320 7.2285  -2.972290      8.381305  
1 1 1 -17 22  12 o 171.872 3.5729  16021.54   665.111  15411.39   768.409  17844.30   1328.13  168.519 4.2099  181.034 6.7734  -12.51535      7.975140  
1 1 1 -17 22  13 o 193.934 3.8456  20408.11   807.768  20162.30   933.951  21137.90   1609.25  192.695 4.4749  196.818 7.5489  -4.123444      8.775609  
1 1 1 -17 22  14 o 146.625 3.3380  11662.72   530.107  11803.73   616.853  11264.47   1036.68  147.466 3.8621  143.735 6.6591  3.731537       7.697968  
1 1 1 -17 22  15 o 78.556  3.2150  3348.26    273.545  3234.34    326.973  3613.94    499.336  77.073  3.9299  81.252  5.7103  -4.178864      6.931944  
1 1 1 -17 22  16 o 112.652 3.1036  6887.50    378.685  7090.71    446.395  6365.88    715.190  114.258 3.6071  107.789 6.1515  6.469162       7.131077  
1 1 1 -17 22  17 o 41.609  1.4946  938.186    67.358   167.797    241.863  1002.96    70.132   20.647  7.8408  43.022  1.5051  -22.37457      7.983907  
1 1 1 -17 22  18 o 104.956 3.1501  5986.00    358.098  5867.68    425.326  6274.08    663.665  103.836 3.7819  106.878 5.7543  -3.042412      6.885818  
1 1 1 -17 22  19 o 53.555  4.0967  1573.12    235.832  1613.07    351.072  1540.28    318.357  53.823  6.1317  52.686  5.6681  1.137165       8.350117  
1 1 1 -17 22  20 o 28.367  6.6359  462.503    200.255  426.611    292.733  494.074    274.548  27.657  8.7350  29.306  8.2823  -1.649006      12.03733  
1 1 1 -17 22  21 o 60.698  3.7663  2018.93    246.385  2069.54    358.411  1973.57    339.261  61.065  5.4772  59.666  5.3051  1.398697       7.625206  
1 1 1 -17 22  22 o 30.445  6.5078  534.740    208.094  392.266    307.054  655.761    282.995  26.782  8.9805  33.461  7.9297  -6.679214      11.98045  
1 1 1 -17 22  23 o 126.263 3.4332  8712.76    469.514  8190.23    696.917  9147.02    635.334  121.662 5.2888  128.930 4.5497  -7.267326      6.976426  
1 1 1 -17 22  24 o 72.745  3.7022  2909.46    290.730  2544.27    443.315  3185.04    385.109  67.115  6.1675  75.774  4.7158  -8.658997      7.763820  
1 1 1 -17 22  25 o 105.629 3.3928  6118.13    388.161  6165.93    593.799  6082.46    512.923  105.159 5.2134  104.821 4.5179  0.3384781      6.898628  
1 1 1 -17 22  26 o 58.042  4.3370  1877.01    270.680  1677.69    441.310  1997.22    342.718  53.178  7.9023  59.443  5.3815  -6.265137      9.560658  
1 1 1 -17 22  27 o 32.609  7.2232  642.268    248.391  304.649    445.294  794.773    299.279  25.911  10.400  36.050  7.8843  -10.13925      13.05104  
1 1 1 -17 22  28 o 21.371  2.3123  252.926    52.670   246.374    53.522   453.745    296.314  21.074  2.3869  26.764  8.8171  -5.689201      9.134462  
1 1 1 -17 22  29 o 21.839  8.8247  235.066    322.925  81.909     491.207  351.643    428.549  22.306  9.9625  24.912  10.130  -2.606186      14.20821  
1 1 1 -17 22  30 o 5.6971  2.6488  -34.1868   39.496   -34.1868   39.496   0.0000     0.0000   5.6971  2.6488  ?       ?       0.000000       2.648799  
1 1 1 -17 22  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 22  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 23  1  o 162.537 3.4111  14320.33   600.514  14640.26   690.907  13332.00   1214.34  164.320 3.8820  156.578 7.1604  7.741974       8.145041  
1 1 1 -17 23  2  f 39.889  1.9198  861.951    82.941   977.662    161.043  820.178    96.761   42.319  3.5462  38.839  2.3106  3.479687       4.232509  
1 1 1 -17 23  3  o 213.182 4.0549  24644.33   936.272  24874.24   1079.39  23945.67   1881.61  214.129 4.6541  209.697 8.2845  4.431854       9.502300  
1 1 1 -17 23  4  o 52.529  2.7902  1499.46    158.174  1599.44    176.425  1089.86    357.099  54.242  3.0149  44.113  7.7572  10.12896       8.322517  
1 1 1 -17 23  5  o 56.192  2.8760  1715.61    174.453  1798.68    197.137  1415.71    374.590  57.519  3.1767  50.546  7.0328  6.973045       7.716912  
1 1 1 -17 23  6  o 210.760 4.0151  24088.36   916.553  23902.81   1056.75  24651.80   1841.45  209.898 4.6483  212.784 7.9901  -2.885223      9.243834  
1 1 1 -17 23  7  o 154.480 3.3136  12935.98   554.424  12828.22   638.925  13264.47   1115.52  153.810 3.8353  156.208 6.5933  -2.397995      7.627631  
1 1 1 -17 23  8  o 164.007 3.9903  14587.99   708.831  14439.24   865.992  14889.94   1233.86  163.109 4.9019  165.459 6.8850  -2.350388      8.451785  
1 1 1 -17 23  9  o 134.936 3.6395  9873.10    531.919  9607.72    646.779  10427.73   935.011  133.066 4.4876  138.504 6.2328  -5.437424      7.680297  
1 1 1 -17 23  10 o 209.297 4.0193  23762.65   911.138  23394.01   1051.05  24877.37   1827.70  207.606 4.6743  213.639 7.8987  -6.032516      9.178146  
1 1 1 -17 23  11 o 177.638 3.6452  17113.81   701.343  17212.72   810.610  16819.30   1398.72  178.108 4.2020  175.712 7.3495  2.396713       8.465956  
1 1 1 -17 23  12 o 127.275 3.1742  8783.32    437.570  8712.81    506.277  8991.50    869.930  126.736 3.6882  128.549 6.2481  -1.812889      7.255430  
1 1 1 -17 23  13 o 21.693  6.8039  253.559    177.913  309.730    214.382  129.282    318.879  23.923  7.4632  22.018  8.8141  1.904675       11.54930  
1 1 1 -17 23  14 o 72.901  3.1630  2882.65    249.747  3079.90    295.909  2394.22    465.644  75.335  3.6265  65.940  6.6088  9.395157       7.538439  
1 1 1 -17 23  15 o 80.319  3.1541  3500.17    274.382  3690.13    327.909  3056.56    501.094  82.442  3.6723  74.594  6.2601  7.847862       7.257703  
1 1 1 -17 23  16 o 48.688  3.9908  1297.11    208.605  1369.44    258.654  1162.51    352.831  49.919  4.8450  45.475  7.4194  4.444141       8.861236  
1 1 1 -17 23  17 o 44.900  3.8556  1104.42    185.686  1397.38    253.577  765.703    272.659  50.423  4.6972  36.734  7.1099  13.68876       8.521431  
1 1 1 -17 23  18 o 28.088  6.3574  450.221    188.896  470.403    252.633  424.631    284.469  28.703  7.8844  27.665  8.5914  1.037727       11.66087  
1 1 1 -17 23  19 o 99.928  3.2362  5431.97    350.265  4847.95    509.090  5956.94    482.665  93.980  5.0196  104.474 4.2655  -10.49407      6.587127  
1 1 1 -17 23  20 o 38.298  5.1896  818.974    209.725  1036.86    305.955  625.847    288.046  42.768  6.8351  32.828  8.1410  9.939503       10.62991  
1 1 1 -17 23  21 o 90.887  3.2297  4500.69    317.935  4558.73    458.948  4447.14    440.852  91.057  4.6692  89.970  4.5387  1.087082       6.511595  
1 1 1 -17 23  22 o 95.878  3.3086  5015.35    343.588  5037.29    507.194  4996.73    467.094  95.542  4.9180  95.395  4.5207  0.1466751      6.680076  
1 1 1 -17 23  23 o 62.353  4.0540  2141.68    272.304  2214.70    433.024  2093.91    350.215  62.612  6.4791  61.277  5.3299  1.335346       8.389633  
1 1 1 -17 23  24 o 40.918  4.9643  940.380    215.507  1036.81    306.250  845.786    303.316  42.332  6.9184  37.887  7.6549  4.444859       10.31803  
1 1 1 -17 23  25 o 66.893  4.0523  2475.85    292.208  2760.17    487.554  2316.48    365.032  69.492  6.5551  64.214  5.2957  5.277687       8.426992  
1 1 1 -17 23  26 o 25.626  7.8788  388.254    239.916  -105.0498  430.843  609.972    288.843  20.626  9.2628  31.631  8.3196  -11.00505      12.45051  
1 1 1 -17 23  27 o 37.025  6.5323  810.497    252.387  1355.57    452.285  564.014    304.145  46.399  9.3233  30.050  8.7883  16.34900       12.81242  
1 1 1 -17 23  28 o 42.536  5.8911  1067.93    264.125  1080.98    471.333  1061.96    318.900  39.248  10.764  41.503  7.3638  -2.255196      13.04220  
1 1 1 -17 23  29 o 19.707  9.1082  -126.3242  456.717  -126.3242  456.717  0.0000     0.0000   19.707  9.1082  ?       ?       0.000000       9.108207  
1 1 1 -17 23  30 o 23.082  10.210  185.819    503.530  185.819    503.530  0.0000     0.0000   23.082  10.210  ?       ?       0.000000       10.21039  
1 1 1 -17 23  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 23  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 24  1  o 433.419 7.4268  102190.10  3486.45  100161.30  4024.15  108296.60  6981.48  428.748 8.6657  443.375 14.538  -14.62711      16.92478  
1 1 1 -17 24  2  o 161.734 3.4041  14179.32   596.314  14557.10   686.187  13013.86   1205.24  163.852 3.8665  154.693 7.1934  9.159943       8.166686  
1 1 1 -17 24  3  o 188.385 3.7252  19240.95   760.089  19535.51   875.648  18340.63   1530.86  189.789 4.2598  183.585 7.6989  6.203491       8.798786  
1 1 1 -17 24  4  o 333.552 5.8434  60421.07   2111.06  62119.14   2436.46  55306.93   4228.32  338.065 6.6541  317.599 12.292  20.46616       13.97736  
1 1 1 -17 24  5  o 255.516 4.9509  35429.67   1370.18  35667.13   1479.36  33996.72   3634.03  256.330 5.3285  248.296 13.564  8.034164       14.57336  
1 1 1 -17 24  6  o 260.944 4.7376  36945.99   1338.99  37779.77   1544.93  34429.12   2684.20  263.796 5.4072  251.098 9.8697  12.69785       11.25379  
1 1 1 -17 24  7  o 282.391 5.4126  43298.21   1655.49  43150.84   1782.76  44221.20   4461.57  281.850 5.8399  282.729 14.620  -0.8786621     15.74284  
1 1 1 -17 24  8  o 102.834 3.3949  5732.96    378.128  6273.63    462.738  4646.38    655.995  107.553 3.9723  92.206  6.6125  15.34702       7.713912  
1 1 1 -17 24  9  o 171.520 4.0994  15958.35   761.555  15974.52   928.934  15925.22   1329.93  171.538 4.9998  171.051 7.1785  0.4874420      8.748108  
1 1 1 -17 24  10 o 243.937 5.1859  32316.41   1370.17  31998.79   1676.84  32954.54   2376.79  242.559 6.3827  245.652 8.9331  -3.093124      10.97900  
1 1 1 -17 24  11 f 158.975 3.4472  13704.84   593.560  13250.65   686.022  15057.34   1183.82  156.279 4.0529  166.345 6.5706  -10.06573      7.720061  
1 1 1 -17 24  12 o 33.676  5.1175  630.074    180.783  425.564    208.329  1253.66    363.783  27.427  6.9920  47.412  7.3198  -19.98548      10.12256  
1 1 1 -17 24  13 o 79.519  3.2405  3429.41    279.095  3286.92    327.846  3804.51    531.928  77.824  3.8894  83.403  5.9270  -5.579468      7.089235  
1 1 1 -17 24  14 o 187.812 3.7845  19147.30   769.849  18644.62   890.587  20633.37   1531.26  185.249 4.4386  194.352 7.2743  -9.102631      8.521531  
1 1 1 -17 24  15 o 111.995 3.1758  6806.12    385.230  6325.18    451.653  8090.06    737.963  107.914 3.8642  121.849 5.5917  -13.93484      6.796966  
1 1 1 -17 24  16 o 101.525 3.0814  5594.83    338.843  5772.29    401.238  5153.62    632.680  103.080 3.5938  96.938  6.0562  6.142189       7.042243  
1 1 1 -17 24  17 o 65.630  2.6313  2337.44    187.047  2584.18    297.511  2176.17    240.530  68.798  4.0100  63.176  3.5293  5.621986       5.341895  
1 1 1 -17 24  18 o 108.013 3.1390  6341.11    367.231  6795.14    438.487  5274.62    672.037  111.746 3.6229  97.761  6.3819  13.98524       7.338505  
1 1 1 -17 24  19 o 59.128  4.1248  1916.50    262.504  1972.79    313.290  1783.88    480.921  59.853  4.8751  56.049  8.1616  3.803883       9.506775  
1 1 1 -17 24  20 o 77.281  3.4355  3253.64    287.560  3434.49    426.338  3102.69    389.498  78.985  5.0095  75.105  4.8135  3.879593       6.947258  
1 1 1 -17 24  21 o 83.850  3.3491  3833.03    304.164  3698.06    451.526  3945.15    411.553  81.846  5.1192  84.726  4.5009  -2.880074      6.816462  
1 1 1 -17 24  22 o 68.798  3.6431  2593.73    270.497  2801.51    407.069  2429.43    361.970  71.045  5.3290  66.206  5.0868  4.838875       7.367019  
1 1 1 -17 24  23 o 38.805  5.6414  852.451    230.168  756.067    362.186  917.746    298.104  35.491  9.3073  39.804  7.1788  -4.313259      11.75417  
1 1 1 -17 24  24 o 30.406  7.2461  545.551    235.250  613.602    396.466  508.571    292.261  32.019  10.171  29.269  8.6306  2.749458       13.33942  
1 1 1 -17 24  25 o 17.123  2.2379  162.354    40.512   160.751    40.935   238.673    282.482  17.031  2.2761  22.523  8.4926  -5.492100      8.792359  
1 1 1 -17 24  26 o 17.130  7.2971  27.502     237.897  39.748     462.793  23.104     277.346  22.965  9.9832  18.244  7.8280  4.721207       12.68626  
1 1 1 -17 24  27 o 56.179  2.4937  1726.22    151.738  1797.07    169.765  1444.77    338.366  57.262  2.7372  49.696  6.4376  7.566147       6.995378  
1 1 1 -17 24  28 f 45.095  5.6794  1194.34    271.241  876.535    486.742  1337.48    326.663  34.812  11.292  47.161  6.5739  -12.34878      13.06646  
1 1 1 -17 24  29 o 21.218  9.5564  22.474     462.472  22.474     462.472  0.0000     0.0000   21.218  9.5564  ?       ?       0.000000       9.556412  
1 1 1 -17 24  30 o 31.698  11.355  806.461    494.685  806.461    494.685  0.0000     0.0000   31.698  11.355  ?       ?       0.000000       11.35520  
1 1 1 -17 24  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 24  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 25  1  o 96.683  2.7826  5065.49    291.390  5210.93    331.605  4572.58    610.459  98.053  3.1224  91.536  6.1938  6.517769       6.936352  
1 1 1 -17 25  2  o 48.000  2.9898  1253.47    154.664  1231.36    171.812  1347.93    355.150  47.543  3.3581  49.332  6.8300  -1.788506      7.610929  
1 1 1 -17 25  3  o 87.364  2.7056  4135.84    256.014  4251.17    290.866  3739.22    539.382  88.566  3.0322  82.749  6.0603  5.817795       6.776555  
1 1 1 -17 25  4  o 192.617 3.9865  20118.88   831.686  20534.24   907.942  17953.06   2073.25  194.573 4.3083  180.921 10.627  13.65239       11.46696  
1 1 1 -17 25  5  f 290.234 5.1858  45721.73   1630.18  46038.17   1880.87  44766.33   3268.18  291.130 5.9649  286.171 10.544  4.959229       12.11438  
1 1 1 -17 25  6  o 312.150 5.5133  52907.34   1863.98  53166.11   2151.23  52127.81   3733.74  312.778 6.3501  308.579 11.171  4.198914       12.85008  
1 1 1 -17 25  7  o 153.526 3.2917  12776.95   547.357  12534.65   629.557  13527.30   1107.89  152.037 3.8231  157.748 6.4843  -5.710480      7.527431  
1 1 1 -17 25  8  o 440.295 8.6821  105736.10  4140.38  108444.80  5069.96  100312.50  7174.06  445.161 10.515  425.520 15.566  19.64108       18.78475  
1 1 1 -17 25  9  o 242.051 5.1064  31812.14   1338.72  30465.56   1636.33  34537.74   2328.02  236.698 6.3827  251.614 8.5424  -14.91621      10.66360  
1 1 1 -17 25  10 o 176.956 3.6209  16981.53   693.987  16695.04   799.833  17854.16   1395.93  175.414 4.2098  181.083 7.1173  -5.669861      8.269136  
1 1 1 -17 25  11 o 194.814 3.8382  20587.91   809.867  20430.27   935.327  21060.13   1618.84  194.011 4.4511  196.553 7.6042  -2.542313      8.811139  
1 1 1 -17 25  12 o 266.427 4.8310  38556.81   1394.08  38118.40   1610.07  39869.91   2786.49  264.769 5.6145  269.756 9.5371  -4.987549      11.06697  
1 1 1 -17 25  13 o 79.474  3.1743  3425.49    273.241  3292.91    318.460  3795.44    531.968  77.897  3.7745  83.296  5.9353  -5.398643      7.033845  
1 1 1 -17 25  14 o 129.201 3.1735  9055.64    444.099  9554.56    518.563  7682.95    860.145  132.680 3.6085  118.465 6.7314  14.21423       7.637617  
1 1 1 -17 25  15 o 110.337 3.1233  6606.18    373.255  6626.58    438.734  6552.73    710.204  110.465 3.6670  109.431 6.0151  1.033737       7.044693  
1 1 1 -17 25  16 o 79.016  3.1816  3389.81    272.289  3547.56    327.273  3035.05    490.801  80.795  3.7399  74.262  6.1575  6.533005       7.204262  
1 1 1 -17 25  17 o 119.891 3.1883  7808.70    414.021  7615.43    487.215  8310.91    785.390  118.320 3.8018  123.222 5.8847  -4.902214      7.005997  
1 1 1 -17 25  18 o 147.369 3.4394  11814.09   548.981  11497.23   642.599  12670.16   1056.22  145.246 4.0847  151.773 6.4253  -6.526459      7.613756  
1 1 1 -17 25  19 o 95.435  3.3772  4957.61    349.086  4903.50    412.047  5095.21    657.072  94.814  4.0124  95.932  6.3599  -1.118156      7.519840  
1 1 1 -17 25  20 o 119.922 3.2417  7830.26    421.052  7923.05    618.511  7750.11    574.802  120.260 4.7485  119.021 4.4588  1.238998       6.513783  
1 1 1 -17 25  21 o 93.415  3.3018  4757.25    334.068  4606.12    492.283  4886.24    454.823  91.401  4.9916  94.419  4.4475  -3.017441      6.685526  
1 1 1 -17 25  22 o 62.545  3.8266  2148.01    257.977  2325.65    387.032  2005.98    346.065  64.604  5.5862  60.030  5.3796  4.573921       7.755351  
1 1 1 -17 25  23 o 55.639  4.3599  1712.65    260.635  1802.37    421.268  1657.00    331.752  56.153  7.0841  54.309  5.7262  1.844173       9.109014  
1 1 1 -17 25  24 o 58.663  4.6516  1914.12    293.132  2174.47    491.170  1770.09    365.324  61.297  7.5583  55.854  6.1402  5.442657       9.738075  
1 1 1 -17 25  25 o 24.442  7.9013  342.946    238.460  -66.3353   425.960  529.759    287.781  21.048  9.3469  29.636  8.5147  -8.587397      12.64379  
1 1 1 -17 25  26 o 68.808  4.1540  2630.22    308.132  2443.43    538.316  2721.25    375.781  64.258  7.9011  69.596  5.0189  -5.338020      9.360402  
1 1 1 -17 25  27 o 37.385  1.9282  763.527    77.811   1086.06    490.521  755.201    78.809   40.184  10.965  37.174  1.9643  3.010113       11.13952  
1 1 1 -17 25  28 o 62.411  4.4555  2214.88    299.202  2718.19    518.219  1963.20    366.451  66.644  7.2987  57.683  5.9509  8.960629       9.417233  
1 1 1 -17 25  29 o 34.690  2.5492  666.581    95.111   666.581    95.111   0.0000     0.0000   34.690  2.5492  ?       ?       0.000000       2.549222  
1 1 1 -17 25  30 f 24.814  10.304  371.050    455.699  371.050    455.699  0.0000     0.0000   24.814  10.304  ?       ?       0.000000       10.30418  
1 1 1 -17 25  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 25  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 26  1  o 234.251 4.6695  29771.06   1184.74  30588.08   1397.55  27684.21   2233.55  237.367 5.4360  225.311 9.1526  12.05655       10.64516  
1 1 1 -17 26  2  o 155.833 3.3832  13163.49   571.029  13410.89   656.293  12392.60   1158.49  157.268 3.8529  150.957 7.0855  6.310577       8.065285  
1 1 1 -17 26  3  o 185.568 3.6529  18669.43   734.203  18667.18   845.136  18676.36   1482.43  185.523 4.2059  185.284 7.3870  0.2392578      8.500410  
1 1 1 -17 26  4  o 230.622 4.3163  28848.51   1078.15  28977.14   1243.08  28457.97   2166.06  231.077 4.9668  228.499 8.7522  2.577850       10.06324  
1 1 1 -17 26  5  o 236.835 4.4029  30426.96   1129.41  30967.35   1302.64  28790.83   2266.62  238.868 5.0349  229.752 9.1086  9.116043       10.40754  
1 1 1 -17 26  6  o 129.077 3.0548  9030.18    427.070  8866.45    490.972  9539.21    865.695  127.883 3.5447  132.506 6.0320  -4.623154      6.996368  
1 1 1 -17 26  7  f 54.682  3.1170  1626.00    183.843  1810.23    208.882  992.814    387.250  57.688  3.3576  41.891  8.8140  15.79696       9.431890  
1 1 1 -17 26  8  o 94.786  3.1557  4870.17    323.972  4573.05    423.605  5288.86    502.850  91.812  4.2598  98.718  4.7030  -6.905479      6.345377  
1 1 1 -17 26  9  o 143.827 3.7786  11219.19   588.632  11294.40   715.933  11062.27   1034.11  144.258 4.5821  142.593 6.6957  1.665237       8.113463  
1 1 1 -17 26  10 o 92.892  2.9855  4677.49    300.378  4377.46    344.080  5638.65    615.853  89.846  3.5358  101.713 5.6120  -11.86687      6.632982  
1 1 1 -17 26  11 o 215.720 4.1047  25251.38   959.042  25708.00   1107.05  23877.96   1919.95  217.594 4.6973  209.092 8.4777  8.501740       9.692104  
1 1 1 -17 26  12 o 163.110 3.5317  14431.65   623.935  14203.25   722.007  15105.25   1239.92  161.766 4.1208  166.491 6.8760  -4.725296      8.016232  
1 1 1 -17 26  13 o 120.692 3.1308  7900.15    409.268  7934.50    474.671  7800.65    807.962  120.924 3.6242  119.504 6.2640  1.419350       7.236889  
1 1 1 -17 26  14 o 219.517 4.1742  26176.63   992.459  26537.00   1148.34  25112.99   1972.86  220.914 4.7993  213.975 8.5126  6.938782       9.772317  
1 1 1 -17 26  15 o 15.294  6.4055  20.978     178.250  -54.2894   231.934  129.581    278.601  15.988  7.0060  20.866  8.2757  -4.877705      10.84307  
1 1 1 -17 26  16 o 65.305  3.4746  2323.29    244.879  2750.83    302.507  1510.54    417.085  71.019  3.9483  51.891  7.6505  19.12756       8.609257  
1 1 1 -17 26  17 o 153.578 3.3908  12820.49   564.033  13237.45   658.077  11666.32   1094.87  155.964 3.8957  145.648 6.9405  10.31586       7.959037  
1 1 1 -17 26  18 f 99.247  3.1568  5355.08    339.341  5569.06    407.241  4869.02    613.782  101.135 3.7178  93.960  6.0635  7.174789       7.112520  
1 1 1 -17 26  19 o 28.923  7.1946  481.647    224.455  611.010    268.270  179.759    409.815  32.516  7.7306  24.744  9.9614  7.772285       12.60919  
1 1 1 -17 26  20 f 56.896  3.9689  1775.99    243.047  2206.36    362.815  1425.64    327.354  63.138  5.3560  50.468  6.1134  12.66959       8.127778  
1 1 1 -17 26  21 o 27.791  6.9578  447.350    208.958  185.468    315.140  652.826    279.145  22.546  8.8460  33.446  7.8419  -10.90034      11.82147  
1 1 1 -17 26  22 o 74.940  3.4100  3066.59    276.779  2846.81    398.240  3271.93    384.947  71.649  5.1664  77.007  4.6369  -5.358032      6.942095  
1 1 1 -17 26  23 o 37.566  6.1993  807.543    243.437  900.652    423.962  761.746    297.340  38.470  10.061  35.951  7.8556  2.518677       12.76431  
1 1 1 -17 26  24 o 24.781  7.9166  350.696    239.923  301.823    447.818  370.372    284.145  26.678  10.520  25.704  8.6389  0.9740791      13.61272  
1 1 1 -17 26  25 o 72.125  3.9104  2875.18    304.333  3238.58    503.620  2666.15    381.961  75.431  6.2197  68.934  5.1531  6.497414       8.077092  
1 1 1 -17 26  26 o 94.283  3.0578  4873.81    312.260  5524.65    425.634  4115.23    459.516  99.982  3.9305  85.645  4.9751  14.33692       6.340357  
1 1 1 -17 26  27 o 17.620  7.3955  64.966     238.429  310.149    451.586  -29.7988   280.750  25.830  10.436  17.301  7.6401  8.529222       12.93395  
1 1 1 -17 26  28 o 41.567  6.5956  1048.80    287.029  1864.15    514.095  679.522    345.974  53.171  9.2635  31.652  9.4047  21.51899       13.20076  
1 1 1 -17 26  29 o 21.216  9.5482  29.328     460.622  29.328     460.622  0.0000     0.0000   21.216  9.5482  ?       ?       0.000000       9.548213  
1 1 1 -17 26  30 o 19.205  8.8375  -68.9808   423.262  -68.9808   423.262  0.0000     0.0000   19.205  8.8375  ?       ?       0.000000       8.837456  
1 1 1 -17 26  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 26  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 27  1  o 97.272  2.8719  5127.69    302.574  5360.12    344.508  4343.47    632.803  99.444  3.1985  89.151  6.6004  10.29337       7.334558  
1 1 1 -17 27  2  o 164.524 3.5206  14674.19   627.354  14456.10   731.640  15279.84   1219.24  163.265 4.1375  167.654 6.7143  -4.389755      7.886770  
1 1 1 -17 27  3  o 310.479 5.4716  52336.70   1839.98  52193.10   2122.81  52770.48   3689.42  309.921 6.3240  310.577 10.968  -0.6562195     12.66037  
1 1 1 -17 27  4  o 61.823  2.8054  2071.23    187.850  2332.65    211.623  1099.82    407.938  65.605  2.9782  44.145  8.8402  21.46070       9.328375  
1 1 1 -17 27  5  o 34.509  3.6631  652.946    134.821  770.072    149.461  141.423    312.345  37.501  3.7291  22.109  8.7645  15.39247       9.524844  
1 1 1 -17 27  6  o 172.581 3.4983  16147.47   653.918  15816.60   753.088  17161.43   1318.35  170.770 4.0716  177.638 6.8521  -6.868271      7.970544  
1 1 1 -17 27  7  o 60.762  2.9909  2001.14    196.834  1971.92    223.395  2102.53    416.203  60.211  3.4398  61.877  6.2980  -1.665588      7.176168  
1 1 1 -17 27  8  o 38.414  2.0176  801.645    83.649   970.992    183.270  757.082    94.013   42.114  4.0685  37.306  2.3385  4.807503       4.692721  
1 1 1 -17 27  9  o 57.318  3.8660  1790.03    238.606  2036.50    282.879  1182.24    444.217  61.113  4.3010  45.707  9.2898  15.40668       10.23718  
1 1 1 -17 27  10 o 44.564  4.0920  1086.52    195.304  1008.81    223.940  1333.44    399.166  42.824  4.9173  48.861  7.8053  -6.037037      9.225072  
1 1 1 -17 27  11 o 50.699  3.7424  1401.94    204.050  1615.54    234.455  734.908    414.319  54.418  4.0060  36.119  10.163  18.29948       10.92390  
1 1 1 -17 27  12 o 205.415 3.9967  22900.58   889.201  23428.90   1027.17  21320.60   1776.29  207.702 4.5659  197.492 8.3041  10.20953       9.476629  
1 1 1 -17 27  13 o 100.080 3.0923  5432.36    335.202  5208.34    389.465  6072.47    658.350  97.965  3.6705  105.460 5.7858  -7.494370      6.851848  
1 1 1 -17 27  14 o 94.868  3.2111  4883.19    329.944  4971.29    392.339  4670.35    609.781  95.685  3.7857  92.347  6.1313  3.337288       7.205900  
1 1 1 -17 27  15 o 158.240 3.4613  13596.84   593.236  13944.67   691.535  12627.57   1154.40  160.181 3.9860  151.863 7.0183  8.317596       8.071198  
1 1 1 -17 27  16 o 108.878 3.1790  6437.35    374.881  6557.15    444.270  6141.14    698.575  109.829 3.7347  105.781 6.1235  4.048317       7.172513  
1 1 1 -17 27  17 o 68.769  3.4212  2571.07    254.827  2760.87    314.206  2206.29    435.586  71.086  4.0983  63.074  6.4675  8.011967       7.656721  
1 1 1 -17 27  18 o 113.518 3.2383  7008.02    398.157  7266.86    463.092  6274.29    779.684  115.521 3.7011  106.449 6.7980  9.072067       7.740209  
1 1 1 -17 27  19 f 96.764  3.3908  5098.00    355.369  4984.05    418.372  5393.20    673.383  95.568  4.0418  98.678  6.3339  -3.109818      7.513622  
1 1 1 -17 27  20 o 54.580  2.4765  1618.63    146.399  1617.81    164.152  1621.79    323.651  54.472  2.7917  53.990  5.6169  0.4816589      6.272427  
1 1 1 -17 27  21 o 56.743  3.9854  1769.74    243.383  2086.82    359.530  1501.52    330.669  61.263  5.4761  51.739  6.0128  9.523632       8.132727  
1 1 1 -17 27  22 o 94.014  3.2151  4822.53    327.380  4708.14    465.988  4934.02    460.039  92.398  4.6715  94.761  4.4822  -2.363640      6.474035  
1 1 1 -17 27  23 o 43.499  5.5247  1066.81    254.418  1179.47    460.108  1017.19    305.347  44.111  9.8762  41.989  6.9578  2.122723       12.08098  
1 1 1 -17 27  24 o 46.255  5.2029  1203.78    256.136  1824.79    441.771  889.300    314.368  56.096  7.4557  38.776  7.7561  17.31991       10.75844  
1 1 1 -17 27  25 o 68.150  2.8064  2538.45    207.146  2576.40    250.092  2455.52    369.700  68.519  3.3699  66.108  5.2054  2.410957       6.201005  
1 1 1 -17 27  26 o 54.183  4.7652  1650.33    276.805  2458.38    482.235  1253.28    338.040  64.970  6.9613  46.190  6.9742  18.78026       9.853868  
1 1 1 -17 27  27 o 22.237  8.1578  266.100    257.324  219.346    449.479  288.894    313.844  24.403  10.192  23.518  8.9315  0.8855190      13.55167  
1 1 1 -17 27  28 o 17.510  2.8878  173.596    52.859   166.820    53.244   637.255    440.430  17.135  2.9769  30.128  10.723  -12.99280      11.12831  
1 1 1 -17 27  29 o 28.064  10.367  551.817    416.708  551.817    416.708  0.0000     0.0000   28.064  10.367  ?       ?       0.000000       10.36721  
1 1 1 -17 27  30 f 29.010  10.499  640.447    424.119  640.447    424.119  0.0000     0.0000   29.010  10.499  ?       ?       0.000000       10.49878  
1 1 1 -17 27  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 27  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 28  1  o 42.781  3.1193  997.265    143.542  1035.06    157.498  811.895    348.792  43.567  3.3637  37.849  8.6917  5.718739       9.319867  
1 1 1 -17 28  2  o 325.303 5.8501  57477.34   2061.20  59858.18   2378.50  50296.79   4130.62  331.836 6.6177  302.689 12.599  29.14658       14.23161  
1 1 1 -17 28  3  o 381.601 6.5534  79154.27   2708.61  79696.34   3126.06  77521.49   5425.40  382.675 7.5422  375.459 13.341  7.216003       15.32567  
1 1 1 -17 28  4  o 35.408  1.4996  679.081    57.511   562.443    140.883  702.404    62.999   31.933  4.1732  36.010  1.6153  -4.077538      4.474913  
1 1 1 -17 28  5  o ?       ?       -102.9578  18.632   -35.7622   125.988  -104.4603  18.840   11.694  5.1431  ?       ?       0.000000       5.143061  
1 1 1 -17 28  6  o 217.107 4.4083  25572.38   1036.60  25202.29   1125.33  27645.54   2663.45  215.493 4.8214  224.696 10.944  -9.203354      11.95904  
1 1 1 -17 28  7  o 369.846 6.3256  74362.66   2533.92  73310.53   2924.42  77532.09   5075.69  366.971 7.3576  375.563 12.478  -8.592133      14.48559  
1 1 1 -17 28  8  o 231.657 4.3151  29117.54   1082.69  29431.53   1248.77  28167.02   2172.72  232.833 4.9519  227.158 8.8309  5.674057       10.12453  
1 1 1 -17 28  9  o 301.529 6.0760  49430.91   1984.34  46602.81   2427.53  55126.25   3444.89  292.439 7.6641  317.361 10.022  -24.92239      12.61655  
1 1 1 -17 28  10 o 57.556  3.5047  1803.14    217.436  1751.77    249.323  1966.31    444.368  56.674  4.0891  59.688  7.0069  -3.013817      8.112827  
1 1 1 -17 28  11 o 60.011  3.3991  1959.41    220.029  1898.42    252.368  2152.69    449.262  59.016  3.9713  62.511  6.7422  -3.495575      7.824832  
1 1 1 -17 28  12 o 244.166 4.5015  32378.13   1190.45  31484.42   1374.27  35064.69   2382.71  240.645 5.2726  253.112 8.6914  -12.46664      10.16562  
1 1 1 -17 28  13 o 161.854 3.4955  14215.07   612.776  14616.07   708.933  13030.31   1218.56  164.072 3.9893  154.451 7.2843  9.621078       8.305188  
1 1 1 -17 28  14 o 153.214 3.4402  12741.75   570.899  12625.76   662.855  13075.00   1123.51  152.453 4.0143  154.713 6.7047  -2.260300      7.814590  
1 1 1 -17 28  15 o 123.760 3.1948  8314.54    428.253  8250.37    501.171  8488.21    824.447  123.226 3.7550  124.653 6.1065  -1.427200      7.168618  
1 1 1 -17 28  16 o 121.603 3.1713  8030.93    417.692  7692.71    487.293  8967.73    810.993  118.944 3.7825  128.064 5.8468  -9.120636      6.963657  
1 1 1 -17 28  17 o 109.033 3.2466  6461.50    383.399  6145.75    455.830  7225.05    708.845  106.241 3.9613  114.862 5.6978  -8.621201      6.939480  
1 1 1 -17 28  18 o 75.535  3.5377  3105.76    289.423  3046.51    345.337  3245.62    530.533  74.600  4.2921  76.501  6.4634  -1.901382      7.758684  
1 1 1 -17 28  19 o 86.530  3.4598  4078.05    324.262  3978.49    381.667  4336.37    614.786  85.365  4.1280  88.383  6.4671  -3.018318      7.672238  
1 1 1 -17 28  20 o 52.110  4.9255  1502.92    274.703  1597.69    341.391  1328.84    462.667  53.473  5.9978  47.690  9.2912  5.783485       11.05897  
1 1 1 -17 28  21 o 114.197 3.0927  7106.01    382.523  6763.31    545.881  7436.64    536.187  111.016 4.5399  116.506 4.2491  -5.490051      6.218132  
1 1 1 -17 28  22 o 78.921  3.3250  3400.63    284.218  2697.18    404.159  4088.88    399.768  69.631  5.4012  86.312  4.2763  -16.68121      6.889125  
1 1 1 -17 28  23 o 43.558  5.5282  1070.21    254.936  874.660    460.674  1156.54    306.076  37.728  10.752  44.992  6.4668  -7.263412      12.54660  
1 1 1 -17 28  24 o 26.845  1.5089  392.401    43.696   396.257    44.230   235.836    281.832  26.976  1.5200  22.534  8.4858  4.441277       8.620889  
1 1 1 -17 28  25 o 42.839  5.8147  1049.95    262.824  1246.53    481.382  966.464    313.707  44.582  10.191  40.412  7.4414  4.170502       12.61893  
1 1 1 -17 28  26 o 85.778  3.7535  4063.15    348.721  4998.66    585.027  3547.56    434.312  93.747  5.7900  79.373  5.0786  14.37469       7.701686  
1 1 1 -17 28  27 f 52.732  2.0494  1517.61    117.052  1583.01    125.569  1083.95    323.336  53.835  2.1535  42.243  7.3329  11.59156       7.642543  
1 1 1 -17 28  28 o 63.077  5.1835  2310.04    350.998  2649.86    467.098  1869.26    531.980  66.250  6.5973  52.595  9.6958  13.65518       11.72739  
1 1 1 -17 28  29 o 41.294  9.9451  1210.48    439.503  1210.48    439.503  0.0000     0.0000   41.294  9.9451  ?       ?       0.000000       9.945114  
1 1 1 -17 28  30 o 37.474  2.3298  776.795    94.091   776.795    94.091   0.0000     0.0000   37.474  2.3298  ?       ?       0.000000       2.329758  
1 1 1 -17 28  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 28  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 29  1  o 296.457 5.6230  47727.93   1805.52  47961.13   2136.66  47145.60   3376.44  297.017 6.6418  293.596 10.618  3.420288       12.52409  
1 1 1 -17 29  2  o 165.370 3.4728  14825.69   622.029  15027.10   714.879  14197.89   1262.12  166.463 3.9650  161.547 7.2133  4.915634       8.231195  
1 1 1 -17 29  3  o 161.492 3.5312  14139.09   617.649  14193.99   681.421  13886.26   1462.27  161.786 3.8887  159.398 8.5005  2.387848       9.347743  
1 1 1 -17 29  4  o 163.100 3.4229  14421.36   604.678  14488.86   695.267  14211.80   1225.11  163.454 3.9272  161.641 6.9977  1.813080       8.024354  
1 1 1 -17 29  5  f 154.919 3.3123  13010.34   555.783  12833.21   639.070  13560.13   1125.92  153.835 3.8355  157.924 6.5825  -4.089584      7.618413  
1 1 1 -17 29  6  o 18.728  5.5961  192.421    122.240  135.289    134.969  453.176    288.342  16.883  5.9436  28.691  8.5996  -11.80796      10.45370  
1 1 1 -17 29  7  o 281.352 4.9780  42974.25   1516.95  42013.31   1749.96  45879.11   3042.59  278.065 5.8105  289.714 9.6963  -11.64871      11.30395  
1 1 1 -17 29  8  o 217.832 4.0684  25741.22   959.882  25014.52   1106.89  27945.00   1927.56  214.668 4.7606  226.437 7.8594  -11.76909      9.188824  
1 1 1 -17 29  9  o 137.357 4.5290  10240.08   673.786  9849.86    951.777  10632.12   953.981  134.553 6.5309  139.816 6.2996  -5.263321      9.073987  
1 1 1 -17 29  10 o 102.348 3.0363  5678.99    336.582  5712.69    387.276  5574.93    680.467  102.633 3.4839  101.037 6.2488  1.596474       7.154325  
1 1 1 -17 29  11 o 82.527  3.0647  3692.90    273.943  3709.79    314.668  3640.04    556.753  82.700  3.5130  81.527  6.3553  1.172874       7.261597  
1 1 1 -17 29  12 o 161.803 3.4598  14202.89   606.323  13749.93   698.928  15580.57   1218.91  159.150 4.0547  169.069 6.6564  -9.919113      7.794074  
1 1 1 -17 29  13 o 131.959 3.2451  9447.02    463.810  9215.46    538.322  10114.14   913.706  130.287 3.8148  136.217 6.1930  -5.930313      7.273663  
1 1 1 -17 29  14 o 151.680 3.4165  12488.92   561.284  11828.17   650.171  14422.01   1112.08  147.541 4.0686  162.534 6.3172  -14.99329      7.514002  
1 1 1 -17 29  15 o 21.989  6.6212  266.862    170.642  378.694    210.255  51.042     292.086  25.906  7.2223  19.789  8.2362  6.116434       10.95434  
1 1 1 -17 29  16 o 98.265  3.0895  5244.05    328.825  5023.23    386.110  5827.01    627.365  96.114  3.7090  103.095 5.6398  -6.980743      6.750070  
1 1 1 -17 29  17 o 15.253  6.3940  21.873     177.874  159.200    239.443  -147.2300  265.704  20.335  7.7825  15.826  7.1751  4.508349       10.58535  
1 1 1 -17 29  18 o 179.902 3.7392  17631.06   728.601  17591.02   846.028  17746.02   1433.51  179.510 4.3514  178.958 7.3957  0.5517273      8.580833  
1 1 1 -17 29  19 o 89.787  3.4132  4390.48    331.925  3854.56    388.671  5834.42    637.978  83.885  4.2923  102.820 5.7518  -18.93553      7.176799  
1 1 1 -17 29  20 o 83.100  3.3975  3764.16    305.794  3688.22    356.343  3976.31    595.613  82.153  4.0047  84.428  6.5651  -2.274284      7.690114  
1 1 1 -17 29  21 o 67.552  3.5121  2497.79    256.081  2582.78    363.213  2413.78    361.103  68.345  4.9399  66.018  5.0894  2.327797       7.092539  
1 1 1 -17 29  22 o 61.241  3.7339  2059.89    246.490  2244.40    352.360  1883.08    344.938  63.541  5.1646  58.047  5.5543  5.494247       7.584430  
1 1 1 -17 29  23 o 41.557  5.7902  979.964    253.542  1196.02    458.110  884.561    304.415  44.389  9.7913  38.871  7.5022  5.518089       12.33501  
1 1 1 -17 29  24 o 44.247  5.4552  1107.85    255.900  1037.45    442.652  1143.19    313.618  40.925  10.058  44.486  6.7182  -3.561443      12.09520  
1 1 1 -17 29  25 o 56.583  4.5692  1787.78    277.637  2021.26    473.680  1665.59    342.668  58.695  7.6316  54.039  5.9534  4.656048       9.679056  
1 1 1 -17 29  26 o 84.515  3.0141  3918.79    275.909  4275.58    361.815  3423.02    426.505  87.945  3.7984  77.920  5.0815  10.02499       6.344234  
1 1 1 -17 29  27 o 56.416  4.5781  1803.36    277.329  2096.33    462.047  1638.38    346.733  58.871  7.4104  52.820  6.1774  6.051460       9.647552  
1 1 1 -17 29  28 o 69.135  5.1023  2769.72    379.365  2725.59    511.086  2823.88    566.135  66.488  7.2128  66.808  7.9819  -0.3201981     10.75805  
1 1 1 -17 29  29 f 58.485  7.9998  2205.37    493.465  2205.37    493.465  0.0000     0.0000   58.485  7.9998  ?       ?       0.000000       7.999761  
1 1 1 -17 29  30 o 30.459  1.6537  508.419    54.354   508.419    54.354   0.0000     0.0000   30.459  1.6537  ?       ?       0.000000       1.653741  
1 1 1 -17 29  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 30  1  o 212.158 4.1508  24413.68   953.816  24770.72   1098.57  23320.31   1922.42  213.652 4.7473  206.827 8.5816  6.824951       9.807216  
1 1 1 -17 30  2  o 63.335  2.7509  2173.84    188.706  2074.24    210.130  2588.91    428.966  61.780  3.1507  68.794  5.8115  -7.013203      6.610643  
1 1 1 -17 30  3  o 247.121 4.7178  33138.66   1262.75  31920.02   1489.66  36249.96   2380.24  242.426 5.6733  257.875 8.5220  -15.44902      10.23771  
1 1 1 -17 30  4  o 145.935 3.1763  11544.12   502.053  11342.42   576.084  12181.09   1023.74  144.631 3.6775  149.702 6.3138  -5.070541      7.306751  
1 1 1 -17 30  5  o 108.752 2.8942  6410.02    340.909  6513.70    390.145  6075.27    701.045  109.616 3.2861  105.550 6.1590  4.066154       6.980807  
1 1 1 -17 30  6  o 225.143 4.2337  27498.90   1032.39  27377.59   1189.87  27868.37   2076.50  224.580 4.8917  226.057 8.4809  -1.476837      9.790547  
1 1 1 -17 30  7  f 116.126 2.9663  7309.48    373.089  7143.34    429.623  7819.08    752.431  114.780 3.4558  119.955 5.7913  -5.174805      6.744045  
1 1 1 -17 30  8  o 259.427 4.6145  36529.40   1296.62  34078.77   1495.29  43957.31   2603.28  250.454 5.5122  283.833 8.4681  -33.37843      10.10416  
1 1 1 -17 30  9  o 205.097 5.6441  22861.26   1253.79  23052.81   1778.64  22672.06   1767.66  205.590 7.9876  203.882 8.0047  1.707977       11.30827  
1 1 1 -17 30  10 o 64.054  3.2479  2230.52    224.590  2181.37    255.280  2398.88    472.444  63.302  3.7399  66.040  6.6976  -2.738144      7.671076  
1 1 1 -17 30  11 o 48.136  4.0123  1266.21    207.280  1215.42    239.368  1418.49    414.450  47.064  4.7613  50.387  7.8499  -3.323177      9.180996  
1 1 1 -17 30  12 o 137.518 3.2732  10258.18   487.527  9739.34    564.057  11790.52   969.360  133.950 3.8879  147.136 6.0827  -13.18637      7.219026  
1 1 1 -17 30  13 o 66.594  3.3543  2412.50    241.163  2281.45    281.261  2776.35    468.652  64.688  4.0345  71.103  6.1459  -6.414665      7.351789  
1 1 1 -17 30  14 f 85.407  3.1536  3958.62    291.722  3528.05    340.885  5136.84    563.890  80.583  3.9057  96.946  5.3916  -16.36293      6.657573  
1 1 1 -17 30  15 o 102.234 3.0812  5673.85    341.182  5344.67    397.715  6591.18    663.919  99.172  3.7027  109.746 5.6041  -10.57442      6.716824  
1 1 1 -17 30  16 o 47.272  3.9378  1224.29    199.781  1355.59    243.317  952.633    349.987  49.664  4.5748  40.825  8.1999  8.839508       9.389688  
1 1 1 -17 30  17 o 95.884  3.1479  4997.34    326.913  5607.23    393.991  3649.45    585.716  101.511 3.5835  81.143  6.7251  20.36801       7.620215  
1 1 1 -17 30  18 o 28.828  6.4431  475.729    196.118  745.183    240.359  -60.9745   339.222  36.274  6.3490  19.377  8.4824  16.89694       10.59537  
1 1 1 -17 30  19 o 27.060  6.8732  421.237    201.836  482.094    240.212  275.097    372.242  28.903  7.5798  25.552  9.7215  3.350605       12.32723  
1 1 1 -17 30  20 o 68.937  2.7938  2585.36    208.606  2549.11    227.070  2781.47    528.131  68.421  3.0641  70.343  7.0259  -1.921738      7.664957  
1 1 1 -17 30  21 o 64.349  3.5947  2268.60    249.539  1864.45    353.315  2670.86    352.489  57.785  5.7203  69.563  4.7060  -11.77866      7.407361  
1 1 1 -17 30  22 o 68.355  3.6436  2563.52    268.781  2723.32    393.385  2423.59    368.100  69.991  5.2270  66.018  5.1897  3.972832       7.365768  
1 1 1 -17 30  23 o 31.006  7.2537  565.929    239.264  434.971    419.345  629.140    291.341  28.674  10.430  32.475  8.2627  -3.800846      13.30627  
1 1 1 -17 30  24 o 28.614  7.7294  487.726    245.200  619.857    454.222  433.386    291.288  32.215  10.922  27.250  8.7248  4.965092       13.97909  
1 1 1 -17 30  25 o 55.486  4.5505  1719.42    271.068  1761.67    449.250  1695.23    339.917  54.633  7.8148  54.566  5.8423  0.6696320E-01  9.757256  
1 1 1 -17 30  26 o 22.625  7.8203  285.995    233.118  -36.3880   383.478  474.964    293.596  20.087  8.8967  27.895  8.7389  -7.808317      12.47074  
1 1 1 -17 30  27 o 31.580  7.2021  615.270    240.882  953.654    402.176  425.969    300.807  37.836  9.7523  26.200  8.8882  11.63646       13.19495  
1 1 1 -17 30  28 o 23.782  8.7378  343.562    295.374  267.347    403.857  431.222    433.121  23.541  9.7317  26.358  10.361  -2.817190      14.21486  
1 1 1 -17 30  29 o 6.7471  2.7957  7.2429     33.438   7.2429     33.438   0.0000     0.0000   6.7471  2.7957  ?       ?       0.000000       2.795652  
1 1 1 -17 30  30 o 21.118  9.2867  140.693    410.712  140.693    410.712  0.0000     0.0000   21.118  9.2867  ?       ?       0.000000       9.286671  
1 1 1 -17 30  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 31  1  o 71.308  2.7461  2755.62    212.094  2862.94    237.820  2338.56    468.840  72.678  3.0212  65.234  6.7324  7.443954       7.379220  
1 1 1 -17 31  2  o 102.894 2.8156  5737.76    313.780  5655.30    356.322  6022.56    662.201  102.141 3.2209  105.129 5.8386  -2.988396      6.668085  
1 1 1 -17 31  3  o 243.023 4.5115  32044.89   1187.52  31828.85   1368.43  32703.77   2389.77  242.126 5.2181  244.818 9.0125  -2.692200      10.41406  
1 1 1 -17 31  4  o 273.746 4.8887  40673.65   1449.48  39836.43   1671.51  43212.09   2910.53  270.804 5.6988  281.267 9.5539  -10.46313      11.12447  
1 1 1 -17 31  5  o 79.088  2.7752  3389.88    237.722  3489.70    270.297  3048.98    499.493  80.236  3.1103  74.636  6.2360  5.600471       6.968644  
1 1 1 -17 31  6  o 281.792 5.0343  43112.43   1536.51  43081.90   1772.37  43204.78   3082.63  281.573 5.8116  281.008 10.128  0.5652771      11.67709  
1 1 1 -17 31  7  o 296.355 5.2539  47698.16   1686.43  48301.43   1945.99  45878.41   3379.80  298.089 6.0273  289.327 10.785  8.761841       12.35520  
1 1 1 -17 31  8  o 90.765  2.8407  4465.30    279.257  4260.31    318.724  5142.66    579.375  88.643  3.3197  97.132  5.5300  -8.489479      6.449941  
1 1 1 -17 31  9  o 88.511  4.1986  4251.37    402.508  3669.61    567.424  4840.60    571.058  81.868  6.4514  94.204  5.6225  -12.33528      8.557604  
1 1 1 -17 31  10 o 143.126 3.4112  11110.18   528.804  10461.53   592.731  13640.09   1170.59  138.851 3.9413  158.236 6.8301  -19.38524      7.885692  
1 1 1 -17 31  11 o 111.721 3.0915  6768.55    374.092  6562.01    430.029  7411.16    758.519  109.977 3.6102  116.532 6.0303  -6.555092      7.028374  
1 1 1 -17 31  12 o 85.624  3.0790  3976.42    285.543  3897.65    329.597  4213.43    571.712  84.749  3.5907  87.744  6.0528  -2.995140      7.037701  
1 1 1 -17 31  13 o 38.697  4.3428  823.940    178.878  790.746    225.372  880.451    294.057  37.682  5.7001  39.545  7.1277  -1.862892      9.126603  
1 1 1 -17 31  14 o 74.541  3.2273  3016.08    260.555  2894.76    305.168  3342.43    500.501  72.887  3.8796  78.029  5.9674  -5.142281      7.117663  
1 1 1 -17 31  15 o 150.062 3.3932  12232.42   551.500  12399.57   640.652  11754.08   1083.77  151.007 3.9170  146.416 6.8340  4.591263       7.877004  
1 1 1 -17 31  16 o 147.261 3.3452  11786.47   533.557  12154.04   624.723  10795.50   1025.76  149.451 3.8594  140.160 6.7569  9.290894       7.781464  
1 1 1 -17 31  17 o 242.835 4.5193  32186.48   1188.64  31510.60   1376.37  34169.52   2357.58  239.921 5.2966  247.519 8.7940  -7.597794      10.26593  
1 1 1 -17 31  18 o 95.947  3.1858  5008.13    331.071  4790.08    389.917  5571.45    626.715  93.739  3.8405  100.520 5.7807  -6.781067      6.940149  
1 1 1 -17 31  19 o 19.231  6.9624  172.382    186.546  129.292    231.215  252.737    315.745  19.349  7.5814  23.997  8.9925  -4.647293      11.76194  
1 1 1 -17 31  20 o 65.180  3.8484  2329.08    270.477  2309.64    318.087  2379.83    513.957  64.746  4.5651  64.834  7.4547  -0.8739471E-01 8.741449  
1 1 1 -17 31  21 o 19.930  7.0858  195.385    192.281  -43.8176   270.151  440.980    273.737  17.296  7.5707  27.707  8.3958  -10.41043      11.30504  
1 1 1 -17 31  22 o 83.668  2.9326  3816.98    265.755  3636.94    344.441  4081.81    417.746  81.458  3.9040  86.015  4.4996  -4.557785      5.957199  
1 1 1 -17 31  23 o 50.531  4.8215  1424.76    260.681  1481.19    443.803  1395.04    322.102  50.081  8.4847  49.554  6.1322  0.5266228      10.46873  
1 1 1 -17 31  24 o 62.401  4.2494  2159.50    285.494  2022.04    480.188  2234.65    355.065  58.823  7.7236  63.102  5.2426  -4.278866      9.334797  
1 1 1 -17 31  25 o 29.109  7.4981  508.183    237.846  226.957    399.556  662.529    296.004  24.372  9.8274  33.004  8.2912  -8.632015      12.85776  
1 1 1 -17 31  26 o 37.204  6.6438  819.150    257.898  1087.57    399.425  627.243    337.735  41.628  9.1118  31.541  9.2713  10.08656       12.99930  
1 1 1 -17 31  27 o 30.286  7.4513  573.239    242.749  359.398    401.772  696.183    304.641  25.529  9.9963  32.865  8.4960  -7.335617      13.11901  
1 1 1 -17 31  28 o 7.4528  2.8060  22.832     30.815   22.832     30.815   0.0000     0.0000   7.4528  2.8060  ?       ?       0.000000       2.806046  
1 1 1 -17 31  29 o 30.762  10.509  706.182    420.551  706.182    420.551  0.0000     0.0000   30.762  10.509  ?       ?       0.000000       10.50908  
1 1 1 -17 31  30 o 21.664  9.4398  182.939    415.807  182.939    415.807  0.0000     0.0000   21.664  9.4398  ?       ?       0.000000       9.439765  
1 1 1 -17 31  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 32  1  o 134.294 3.0341  9775.38    441.330  9629.65    504.136  10253.40   913.036  133.270 3.4926  137.353 6.1373  -4.082428      7.061517  
1 1 1 -17 32  2  o 63.948  2.7803  2216.25    192.570  2269.81    214.367  1992.30    438.308  64.712  3.0585  60.136  6.8518  4.576004       7.503386  
1 1 1 -17 32  3  o 132.947 3.1758  9581.11    457.304  10324.39   523.811  7198.93    937.747  137.993 3.5047  114.734 7.5890  23.25953       8.359164  
1 1 1 -17 32  4  o 76.686  2.7696  3187.07    230.039  3248.37    260.338  2968.74    491.315  77.412  3.1050  73.642  6.2179  3.770233       6.950060  
1 1 1 -17 32  5  o 155.388 3.3354  13090.60   561.351  13621.81   648.230  11497.70   1122.51  158.485 3.7763  145.340 7.1307  13.14511       8.068963  
1 1 1 -17 32  6  o 300.221 5.2624  48949.45   1711.19  49478.73   1974.13  47350.14   3431.66  301.704 6.0412  293.954 10.778  7.750153       12.35597  
1 1 1 -17 32  7  o 49.922  3.2862  1357.04    176.693  1428.31    200.613  1110.49    373.119  51.191  3.6419  44.460  8.0444  6.731258       8.830445  
1 1 1 -17 32  8  o 34.346  4.7401  652.461    171.631  581.294    197.830  869.044    345.113  32.202  5.8891  39.170  8.3875  -6.968632      10.24852  
1 1 1 -17 32  9  o 216.126 5.1465  25377.18   1204.73  25507.99   1359.95  24900.26   2596.72  216.589 5.7972  212.498 11.323  4.091476       12.72097  
1 1 1 -17 32  10 o 241.722 4.7357  31735.88   1239.85  32133.42   1342.28  29425.21   3236.10  243.175 5.0963  230.202 13.033  12.97321       13.99354  
1 1 1 -17 32  11 o 140.697 3.2981  10737.48   502.592  10803.04   579.963  10539.78   1007.17  141.089 3.7952  139.052 6.6874  2.037872       7.689246  
1 1 1 -17 32  12 o 86.079  3.1035  4019.15    289.348  3935.63    333.855  4271.26    580.029  85.155  3.6197  88.327  6.1004  -3.172119      7.093445  
1 1 1 -17 32  13 o 30.842  1.8298  517.294    60.853   641.386    224.742  507.476    63.214   33.735  6.3847  30.540  1.9208  3.194294       6.667386  
1 1 1 -17 32  14 o 20.495  6.6183  223.213    167.337  185.399    194.760  329.848    327.056  19.923  7.1262  26.116  9.2460  -6.193073      11.67353  
1 1 1 -17 32  15 o 129.896 3.1779  9163.43    447.108  9288.48    517.666  8796.22    887.103  130.719 3.6563  126.540 6.4944  4.179306       7.452924  
1 1 1 -17 32  16 o 126.874 3.1781  8747.05    436.722  9085.71    511.937  7841.84    836.980  129.236 3.6573  119.318 6.5010  9.918060       7.459167  
1 1 1 -17 32  17 o 136.289 3.2987  10102.69   486.939  10722.88   569.588  8418.65    938.588  140.322 3.7477  123.274 7.0590  17.04728       7.992144  
1 1 1 -17 32  18 o 127.241 3.2933  8811.55    453.865  8192.65    532.245  10461.02   868.907  122.545 4.0100  137.918 5.8168  -15.37315      7.065054  
1 1 1 -17 32  19 o 53.409  3.9891  1566.11    229.092  1516.57    277.426  1672.29    406.191  52.359  4.9507  54.447  7.0537  -2.087578      8.617676  
1 1 1 -17 32  20 o 23.363  7.2811  304.632    204.107  497.887    244.270  -142.4478  371.533  29.265  7.6285  19.178  8.6079  10.08664       11.50170  
1 1 1 -17 32  21 o 39.781  2.0173  861.641    86.634   996.471    314.452  850.566    90.122   41.604  7.2413  39.514  2.1134  2.090748       7.543404  
1 1 1 -17 32  22 o 68.897  3.5424  2603.54    263.446  2858.63    375.747  2356.90    369.471  71.811  4.8596  65.032  5.2913  6.778748       7.184230  
1 1 1 -17 32  23 o 81.966  3.6829  3685.30    326.961  3437.94    528.645  3838.54    416.090  77.985  6.3128  83.223  4.6345  -5.237694      7.831342  
1 1 1 -17 32  24 o 34.805  6.4781  705.682    235.225  336.651    377.117  940.685    300.942  26.034  9.8135  40.024  7.2072  -13.99050      12.17574  
1 1 1 -17 32  25 o 26.115  1.5611  371.773    43.954   535.120    391.081  369.683    44.234   29.901  10.135  26.040  1.5758  3.861210       10.25635  
1 1 1 -17 32  26 o 46.215  2.1292  1164.94    106.578  1199.93    112.977  882.031    321.239  46.888  2.2246  37.873  8.0776  9.015152       8.378363  
1 1 1 -17 32  27 o 14.546  6.6312  -100.0037  230.956  565.985    396.506  -441.9920  284.133  29.209  10.193  12.897  6.2858  16.31153       11.97546  
1 1 1 -17 32  28 o 26.999  10.326  475.974    421.380  475.974    421.380  0.0000     0.0000   26.999  10.326  ?       ?       0.000000       10.32623  
1 1 1 -17 32  29 o 30.333  10.755  694.032    442.703  694.032    442.703  0.0000     0.0000   30.333  10.755  ?       ?       0.000000       10.75519  
1 1 1 -17 32  30 o 21.004  9.3528  114.732    429.414  114.732    429.414  0.0000     0.0000   21.004  9.3528  ?       ?       0.000000       9.352828  
1 1 1 -17 32  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 33  1  o 134.695 2.9726  9833.73    433.663  9622.02    495.617  10525.30   895.756  133.217 3.4349  139.170 5.9426  -5.952148      6.863876  
1 1 1 -17 33  2  o 153.930 3.2385  12844.92   539.935  12652.61   619.047  13456.37   1103.84  152.747 3.7418  157.308 6.4786  -4.561600      7.481554  
1 1 1 -17 33  3  o 110.225 2.8922  6585.10    345.290  6634.11    392.911  6418.88    723.593  110.622 3.2793  108.491 6.1835  2.130814       6.999240  
1 1 1 -17 33  4  o 142.143 3.1839  10952.99   490.185  10934.10   562.304  11012.79   1000.46  141.998 3.6561  142.303 6.4910  -0.3056641     7.449863  
1 1 1 -17 33  5  o 310.444 5.4205  52348.21   1822.59  51219.64   2102.45  55761.11   3656.14  306.914 6.3247  319.073 10.579  -12.15826      12.32583  
1 1 1 -17 33  6  o 111.377 2.7953  6723.33    337.205  6455.76    391.041  7499.36    665.950  109.120 3.3086  117.510 5.2323  -8.389381      6.190668  
1 1 1 -17 33  7  o 427.692 7.3372  99638.90   3398.84  102462.50  3923.56  91149.43   6803.26  433.336 8.3596  405.014 15.509  28.32159       17.61830  
1 1 1 -17 33  8  o 260.121 5.0456  36751.59   1421.55  36647.81   1534.54  37379.47   3774.48  259.689 5.4558  259.669 13.467  0.1983643E-01  14.52985  
1 1 1 -17 33  9  o 113.595 3.5092  6998.87    431.751  6995.65    528.893  7005.28    747.512  113.525 4.3014  113.307 6.1137  0.2181931      7.475214  
1 1 1 -17 33  10 o 151.157 3.3353  12392.50   546.052  12345.32   628.918  12536.99   1100.59  150.831 3.8498  151.686 6.6990  -0.8551941     7.726381  
1 1 1 -17 33  11 o 219.131 4.4000  26081.89   1044.29  26203.38   1135.61  25416.29   2658.08  219.583 4.7748  214.182 11.500  5.401459       12.45213  
1 1 1 -17 33  12 o 163.757 3.5055  14553.82   621.750  14377.53   717.413  15085.77   1246.23  162.701 4.0711  166.203 6.9229  -3.502365      8.031212  
1 1 1 -17 33  13 o 102.038 2.9312  5648.57    323.946  5768.91    391.055  5385.40    578.319  103.079 3.5026  99.276  5.3987  3.803436       6.435396  
1 1 1 -17 33  14 o 106.862 3.0142  6197.96    348.874  6278.06    403.642  5961.43    693.656  107.511 3.4663  104.257 6.1703  3.254845       7.077317  
1 1 1 -17 33  15 o 158.812 3.4162  13705.70   587.619  13439.33   680.883  14483.15   1163.23  157.162 4.0000  162.492 6.6094  -5.330292      7.725564  
1 1 1 -17 33  16 o 27.474  6.2664  430.642    182.343  566.368    224.125  164.917    313.598  31.501  6.7705  22.357  8.8076  9.144182       11.10913  
1 1 1 -17 33  17 o 133.072 3.3040  9632.89    476.202  9674.09    556.425  9520.10    920.614  133.249 3.8554  131.463 6.4655  1.785980       7.527794  
1 1 1 -17 33  18 f 139.356 3.3817  10573.27   510.422  10517.64   596.342  10725.69   987.080  138.850 3.9653  139.344 6.5402  -0.4936218     7.648434  
1 1 1 -17 33  19 o 125.316 3.2200  8552.13    437.046  8570.45    513.144  8503.74    834.018  125.318 3.7805  123.871 6.2363  1.447670       7.292759  
1 1 1 -17 33  20 o 149.514 3.4997  12198.83   566.736  12563.76   673.170  11310.67   1050.20  151.518 4.1019  142.469 6.8058  9.049438       7.946375  
1 1 1 -17 33  21 o 27.009  1.5253  396.958    44.438   288.389    301.886  399.362    44.928   24.307  8.8483  27.090  1.5376  -2.782536      8.980856  
1 1 1 -17 33  22 o 49.802  4.3243  1373.81    230.941  1712.65    333.337  1061.04    320.257  55.242  5.6506  42.858  7.1512  12.38455       9.114202  
1 1 1 -17 33  23 o 110.136 3.2736  6637.23    390.499  7464.45    621.011  6096.23    502.213  116.038 4.9412  105.112 4.4113  10.92569       6.623790  
1 1 1 -17 33  24 o 20.102  7.5605  184.658    223.585  350.956    364.187  84.065     283.247  26.110  9.6826  19.525  8.1172  6.584269       12.63495  
1 1 1 -17 33  25 o 24.635  7.7306  355.753    229.646  543.566    375.219  243.265    290.385  29.951  9.9244  22.635  8.5924  7.316755       13.12719  
1 1 1 -17 33  26 o 28.309  7.6104  492.011    238.382  426.528    390.915  530.777    300.777  27.187  10.042  29.123  8.7953  -1.935396      13.34886  
1 1 1 -17 33  27 o 32.041  7.2249  640.549    244.743  422.208    403.593  767.540    307.795  26.408  10.105  34.458  8.3374  -8.050207      13.10019  
1 1 1 -17 33  28 o 24.721  9.9072  348.155    403.371  348.155    403.371  0.0000     0.0000   24.721  9.9072  ?       ?       0.000000       9.907239  
1 1 1 -17 33  29 o 28.694  10.451  604.090    421.255  604.090    421.255  0.0000     0.0000   28.694  10.451  ?       ?       0.000000       10.45114  
1 1 1 -17 33  30 o 21.824  9.4596  204.337    413.155  204.337    413.155  0.0000     0.0000   21.824  9.4596  ?       ?       0.000000       9.459593  
1 1 1 -17 33  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 34  1  o 174.141 3.4811  16442.70   656.576  16127.50   753.934  17432.20   1335.81  172.428 4.0370  178.987 6.8906  -6.558762      7.986044  
1 1 1 -17 34  2  o 243.758 4.7856  32252.07   1263.47  32048.15   1365.65  33463.84   3329.04  242.938 5.1901  246.347 12.518  -3.409119      13.55120  
1 1 1 -17 34  3  o 141.968 3.2718  10926.76   503.093  10980.43   560.954  10706.11   1137.37  142.298 3.6396  140.005 7.5281  2.293594       8.361783  
1 1 1 -17 34  4  o 190.618 3.7792  19706.11   780.244  19856.12   899.796  19251.40   1566.52  191.298 4.3427  187.977 7.6941  3.320557       8.835116  
1 1 1 -17 34  5  o 177.902 3.5963  17162.50   692.951  17297.22   797.415  16747.00   1400.42  178.561 4.1231  175.359 7.3732  3.201416       8.447782  
1 1 1 -17 34  6  o 229.881 4.2150  28672.83   1049.46  27700.90   1209.33  31637.31   2112.03  225.871 4.9433  240.859 8.0960  -14.98816      9.485790  
1 1 1 -17 34  7  o 380.093 6.4100  78601.87   2638.86  75515.26   3045.17  87908.84   5287.79  372.221 7.5534  399.542 12.219  -27.32016      14.36529  
1 1 1 -17 34  8  o 123.730 3.0129  8299.79    403.767  8240.21    462.642  8490.22    827.088  123.263 3.4653  124.927 6.1126  -1.664383      7.026507  
1 1 1 -17 34  9  o 126.227 3.6290  8643.42    496.145  8404.22    609.500  9113.23    854.191  124.409 4.5233  129.411 6.0942  -5.001717      7.589389  
1 1 1 -17 34  10 o 25.076  5.9351  355.985    158.693  544.223    182.365  -231.1838  322.084  31.160  5.6097  16.902  7.7525  14.25813       9.569235  
1 1 1 -17 34  11 o 126.287 3.1769  8650.97    434.548  8384.29    496.614  9522.28    897.669  124.290 3.6890  132.182 6.2701  -7.892578      7.274807  
1 1 1 -17 34  12 o 192.987 3.8208  20224.51   798.644  19178.64   921.195  23389.55   1602.51  187.828 4.5282  206.838 7.1532  -19.00972      8.465974  
1 1 1 -17 34  13 o 23.774  1.0563  306.160    27.200   60.701     192.892  311.140    27.475   16.725  6.7983  23.966  1.0584  -7.241026      6.880204  
1 1 1 -17 34  14 o 75.606  3.1819  3103.75    260.561  3012.50    304.077  3355.89    505.460  74.350  3.7885  78.130  6.0195  -3.779602      7.112445  
1 1 1 -17 34  15 o 119.652 3.1574  7777.17    409.191  7771.47    477.401  7792.96    794.370  119.542 3.6872  119.102 6.1792  0.4398499      7.195643  
1 1 1 -17 34  16 o 106.136 3.2113  6123.59    369.161  5950.92    429.217  6614.40    723.621  104.551 3.7903  109.600 6.1203  -5.048820      7.198911  
1 1 1 -17 34  17 o 48.842  4.2160  1311.08    220.846  1090.11    267.547  1783.59    391.236  44.207  5.7220  56.530  6.5087  -12.32281      8.666240  
1 1 1 -17 34  18 o 82.975  3.6948  3752.88    332.054  3675.72    418.478  3884.04    545.604  81.813  4.7429  83.749  6.0557  -1.936050      7.692007  
1 1 1 -17 34  19 o 159.678 3.5740  13906.14   618.109  13612.32   720.855  14722.11   1201.28  157.764 4.2186  162.792 6.8131  -5.027618      8.013412  
1 1 1 -17 34  20 o 111.142 3.3687  6737.77    405.515  6484.78    485.345  7322.74    738.021  108.843 4.1170  114.852 5.9532  -6.009232      7.238144  
1 1 1 -17 34  21 o 90.591  3.1035  4475.65    304.515  4300.54    403.469  4707.42    464.186  88.543  4.2071  92.394  4.6534  -3.851456      6.273306  
1 1 1 -17 34  22 o 22.541  6.8720  288.797    182.985  204.098    292.293  343.388    234.658  22.214  8.5738  24.629  7.8252  -2.415030      11.60792  
1 1 1 -17 34  23 o 27.746  7.4182  454.860    227.235  167.206    364.595  637.571    290.575  22.978  9.3439  32.628  8.2248  -9.649855      12.44814  
1 1 1 -17 34  24 o 24.470  7.7576  345.981    230.718  107.558    386.525  477.948    287.565  22.382  9.4063  28.292  8.6124  -5.910385      12.75348  
1 1 1 -17 34  25 o 14.227  6.4766  -112.2888  219.304  118.310    362.230  -245.7227  275.542  21.823  9.1349  14.629  6.8648  7.194377       11.42684  
1 1 1 -17 34  26 o 29.168  7.5232  524.131    239.227  906.347    390.166  293.879    302.829  37.345  9.5947  23.506  8.8071  13.83871       13.02398  
1 1 1 -17 34  27 o 19.789  8.1881  140.310    286.277  -63.6706   388.241  383.375    423.807  19.199  8.6914  25.805  10.216  -6.606319      13.41275  
1 1 1 -17 34  28 o 21.930  9.3924  166.190    397.977  166.190    397.977  0.0000     0.0000   21.930  9.3924  ?       ?       0.000000       9.392379  
1 1 1 -17 34  29 o 19.197  8.7426  -36.8911   400.181  -36.8911   400.181  0.0000     0.0000   19.197  8.7426  ?       ?       0.000000       8.742638  
1 1 1 -17 34  30 o 27.628  1.6478  418.715    49.085   418.715    49.085   0.0000     0.0000   27.628  1.6478  ?       ?       0.000000       1.647826  
1 1 1 -17 34  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 35  1  o 60.087  2.5954  1956.58    168.910  1949.71    185.435  1990.02    409.329  59.977  2.8545  60.160  6.3793  -0.1830750     6.988823  
1 1 1 -17 35  2  o 47.771  2.9222  1241.55    150.471  1286.67    163.993  1001.32    378.417  48.618  3.1309  42.088  8.5918  6.529804       9.144540  
1 1 1 -17 35  3  o 53.825  2.8747  1574.78    166.986  1640.08    183.658  1263.26    401.108  54.917  3.1003  47.489  8.0881  7.427750       8.661920  
1 1 1 -17 35  4  o 87.015  2.7660  4103.64    260.687  4200.89    295.213  3759.30    555.499  88.031  3.0962  82.918  6.2309  5.112320       6.957756  
1 1 1 -17 35  5  o 279.165 5.3302  42332.79   1611.68  43137.41   1735.89  37306.49   4338.63  281.747 5.6884  258.718 15.555  23.02917       16.56282  
1 1 1 -17 35  6  o 219.546 4.1100  26152.27   977.320  26433.57   1126.21  25294.37   1966.74  220.659 4.7123  215.267 8.4353  5.391785       9.662262  
1 1 1 -17 35  7  o 204.086 4.1882  22602.96   925.782  21882.59   1008.29  26472.15   2336.77  200.760 4.6370  219.845 9.8136  -19.08461      10.85398  
1 1 1 -17 35  8  o 192.192 3.7452  20038.90   779.623  19817.67   898.598  20712.37   1567.83  191.070 4.3421  194.893 7.4273  -3.822830      8.603436  
1 1 1 -17 35  9  o 186.268 4.3247  18837.31   872.504  19807.94   1070.31  16914.65   1506.39  190.902 5.1764  175.984 7.9030  14.91705       9.447390  
1 1 1 -17 35  10 o 149.591 3.3194  12138.76   537.815  12188.11   622.022  11992.60   1070.45  149.854 3.8324  148.316 6.6636  1.537842       7.687034  
1 1 1 -17 35  11 o 165.700 3.6436  14902.66   653.915  14977.55   723.624  14569.17   1527.00  166.075 4.0229  162.753 8.6938  3.321030       9.579498  
1 1 1 -17 35  12 o 64.581  3.3040  2269.39    230.330  2375.73    264.424  1934.96    468.941  66.040  3.7118  58.987  7.5102  7.052460       8.377413  
1 1 1 -17 35  13 o 143.930 3.3934  11248.52   528.995  11281.57   596.486  11126.78   1144.87  144.089 3.8221  142.239 7.4573  1.850372       8.379745  
1 1 1 -17 35  14 o 118.503 3.1078  7625.03    398.896  7500.10    462.755  7986.32    786.922  117.471 3.6371  120.843 6.0123  -3.372070      7.026785  
1 1 1 -17 35  15 o 86.349  3.2329  4051.56    302.353  3635.99    358.198  5081.43    563.888  81.723  4.0468  96.259  5.4307  -14.53642      6.772665  
1 1 1 -17 35  16 o 135.380 3.2829  9966.18    481.373  9581.97    556.407  11109.48   959.821  132.639 3.8730  142.179 6.2328  -9.540558      7.338160  
1 1 1 -17 35  17 o 32.718  5.9677  606.339    203.687  649.011    242.367  503.726    375.838  33.687  6.8753  30.294  9.9276  3.392975       12.07588  
1 1 1 -17 35  18 o 140.165 3.4076  10700.39   517.324  10713.09   607.127  10666.74   988.385  140.097 4.0011  138.874 6.5711  1.223358       7.693345  
1 1 1 -17 35  19 o 59.609  3.9220  1949.47    251.803  1949.85    309.355  1948.71    433.456  59.413  4.8496  58.804  6.9393  0.6091728      8.466004  
1 1 1 -17 35  20 o 32.176  6.3893  594.381    214.812  648.330    271.489  504.059    351.281  33.340  7.6769  29.805  9.5853  3.534859       12.28063  
1 1 1 -17 35  21 f 31.354  2.0076  536.167    67.820   814.081    268.318  517.200    70.096   37.587  6.8430  30.780  2.1155  6.806828       7.162559  
1 1 1 -17 35  22 o 18.255  7.1494  121.413    205.547  242.650    306.842  22.723     276.841  23.275  8.8332  18.451  7.8663  4.823790       11.82808  
1 1 1 -17 35  23 o 25.979  7.5460  396.066    224.920  773.409    362.036  158.875    287.034  35.607  9.2896  21.075  8.3870  14.53195       12.51554  
1 1 1 -17 35  24 o 54.556  4.5505  1660.82    266.431  1922.31    433.680  1502.31    337.666  57.571  7.1057  51.219  6.2140  6.351875       9.439535  
1 1 1 -17 35  25 o 54.310  1.9340  1605.61    113.763  1338.36    164.210  1852.25    157.754  49.295  3.0912  58.232  2.5012  -8.936653      3.976373  
1 1 1 -17 35  26 o 8.8486  2.9477  40.834     33.084   46.340     33.313   -355.3586  282.569  9.2609  2.9490  13.647  6.5575  -4.386593      7.190134  
1 1 1 -17 35  27 o 23.186  1.6484  294.461    41.126   294.560    41.313   283.569    432.620  23.189  1.6558  24.319  10.064  -1.129938      10.19963  
1 1 1 -17 35  28 o 31.775  2.0311  554.983    69.538   554.983    69.538   0.0000     0.0000   31.775  2.0311  ?       ?       0.000000       2.031143  
1 1 1 -17 35  29 o 33.809  11.115  908.195    470.944  908.195    470.944  0.0000     0.0000   33.809  11.115  ?       ?       0.000000       11.11451  
1 1 1 -17 35  30 o 26.987  10.520  554.723    443.400  554.723    443.400  0.0000     0.0000   26.987  10.520  ?       ?       0.000000       10.51958  
1 1 1 -17 35  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 36  1  o 246.620 4.5402  33009.45   1212.75  32626.67   1397.08  34179.67   2442.75  245.095 5.2628  250.159 9.0156  -5.063553      10.43924  
1 1 1 -17 36  2  o 235.206 4.5294  30024.07   1153.87  29009.33   1358.59  32650.71   2185.82  231.089 5.4280  244.671 8.2483  -13.58188      9.874064  
1 1 1 -17 36  3  o 242.000 4.4128  31780.70   1156.66  31321.31   1332.38  33185.85   2330.22  240.159 5.1222  246.556 8.7259  -6.397369      10.11825  
1 1 1 -17 36  4  o 137.357 3.1369  10228.23   466.681  10380.56   534.736  9741.46    955.917  138.355 3.5684  133.807 6.5958  4.547333       7.499254  
1 1 1 -17 36  5  o 89.237  2.8214  4316.34    272.697  4542.91    308.934  3516.92    580.291  91.540  3.1159  80.103  6.7514  11.43738       7.435744  
1 1 1 -17 36  6  o 226.527 4.2143  27847.11   1034.00  27431.09   1191.51  29115.92   2080.85  224.747 4.8948  230.939 8.3190  -6.191788      9.652212  
1 1 1 -17 36  7  o 203.968 3.8641  22571.45   853.650  21679.86   983.291  25299.70   1720.05  199.829 4.5431  215.423 7.3719  -15.59451      8.659369  
1 1 1 -17 36  8  o 188.889 3.6282  19355.42   742.286  18749.81   854.898  21210.68   1496.30  185.852 4.2470  197.273 7.0029  -11.42131      8.190096  
1 1 1 -17 36  9  o 54.579  4.0247  1625.68    236.240  1657.15    290.587  1564.34    405.704  55.004  4.9300  53.067  7.2480  1.936100       8.765762  
1 1 1 -17 36  10 o 101.459 3.0097  5582.75    330.743  5593.94    382.570  5549.61    658.087  101.536 3.4787  100.758 6.0584  0.7784271      6.986094  
1 1 1 -17 36  11 o 84.751  3.0612  3896.37    281.004  3819.60    322.707  4137.14    571.510  83.887  3.5517  86.901  6.1108  -3.014290      7.068017  
1 1 1 -17 36  12 o 55.428  3.6514  1675.65    217.981  1648.73    251.656  1756.51    436.209  54.908  4.2650  56.174  7.3454  -1.265808      8.493880  
1 1 1 -17 36  13 o 84.563  2.7069  3879.46    247.925  3753.45    317.124  4077.54    397.611  83.127  3.5222  86.583  4.2399  -3.456261      5.512035  
1 1 1 -17 36  14 o 143.975 3.2781  11260.45   511.192  11173.54   591.869  11515.64   1014.22  143.340 3.8123  144.953 6.4601  -1.612793      7.501082  
1 1 1 -17 36  15 o 46.050  4.3504  1165.94    214.417  971.889    259.195  1586.62    381.631  41.718  5.9009  53.308  6.7618  -11.58924      8.974526  
1 1 1 -17 36  16 o 24.090  7.0289  326.686    194.761  341.114    225.697  284.612    385.418  24.800  7.6446  26.102  9.9013  -1.301392      12.50897  
1 1 1 -17 36  17 o 17.881  7.0009  108.269    197.051  154.186    231.469  -12.6185   375.575  19.956  7.6484  21.068  9.0756  -1.111860      11.86864  
1 1 1 -17 36  18 o 27.293  6.7938  428.792    200.047  515.440    248.722  270.051    336.651  29.849  7.6563  24.757  9.2839  5.091831       12.03367  
1 1 1 -17 36  19 o 56.676  4.1159  1765.99    250.933  2056.24    312.820  1242.14    420.251  61.030  4.7703  46.192  8.7195  14.83814       9.939041  
1 1 1 -17 36  20 o 62.985  2.5743  2157.89    175.619  1874.66    306.067  2296.91    214.432  58.175  4.9031  64.925  3.0493  -6.749737      5.774025  
1 1 1 -17 36  21 o 31.502  1.2622  538.078    43.066   145.970    260.635  549.084    43.666   20.341  8.0243  31.822  1.2669  -11.48165      8.123694  
1 1 1 -17 36  22 o 58.510  3.9454  1888.16    248.570  1922.48    375.503  1861.39    331.633  58.353  6.0282  57.651  5.3729  0.7020874      8.075095  
1 1 1 -17 36  23 o 72.088  3.7575  2863.08    292.367  2989.61    451.831  2771.94    383.467  72.841  5.7744  70.443  5.0597  2.397324       7.677485  
1 1 1 -17 36  24 o 22.306  6.7900  287.209    178.742  -40.8301   368.624  388.045    204.375  19.910  8.7752  25.613  7.1135  -5.703075      11.29631  
1 1 1 -17 36  25 o 24.455  7.1330  356.005    200.602  408.218    378.193  335.564    236.633  27.020  9.8932  24.028  7.8775  2.991953       12.64640  
1 1 1 -17 36  26 o 41.122  4.9780  970.725    217.200  1097.67    405.525  919.660    257.202  41.131  9.3187  39.401  6.2345  1.730335       11.21189  
1 1 1 -17 36  27 o 15.039  6.7696  -60.3355   231.663  -160.6601  396.770  -8.4440    285.353  18.329  8.4779  17.356  7.6815  0.9733887      11.44027  
1 1 1 -17 36  28 o 41.219  6.3230  1035.27    273.272  1555.27    445.046  720.558    346.229  48.364  8.8211  32.157  9.3687  16.20702       12.86792  
1 1 1 -17 36  29 o 28.328  10.625  600.140    440.974  600.140    440.974  0.0000     0.0000   28.328  10.625  ?       ?       0.000000       10.62498  
1 1 1 -17 36  30 o 25.891  12.163  306.135    869.011  306.135    869.011  0.0000     0.0000   25.891  12.163  ?       ?       0.000000       12.16285  
1 1 1 -17 37  1  o 68.881  1.9027  2570.43    141.949  2556.32    150.486  2684.25    427.512  68.690  2.0227  70.051  5.6836  -1.361702      6.032791  
1 1 1 -17 37  2  o 40.356  3.1863  888.466    138.142  1002.81    149.338  210.512    363.631  42.886  3.2390  24.631  9.5472  18.25421       10.08170  
1 1 1 -17 37  3  o 81.248  2.7047  3577.80    238.011  3689.97    266.637  3137.94    528.008  82.505  2.9838  75.669  6.5058  6.835907       7.157375  
1 1 1 -17 37  4  o 356.333 6.6021  69100.98   2548.04  70071.84   2731.36  62588.42   7074.21  358.709 7.0302  332.209 19.750  26.50070       20.96350  
1 1 1 -17 37  5  o 299.236 5.2864  48649.96   1713.36  47795.80   1976.02  51237.50   3439.24  296.426 6.1547  305.672 10.388  -9.245361      12.07449  
1 1 1 -17 37  6  o 16.513  3.0628  152.580    52.761   658.758    143.229  73.110     56.752   34.629  3.8857  11.838  3.8567  22.79175       5.474759  
1 1 1 -17 37  7  o 229.401 4.3057  28566.58   1069.82  28951.61   1233.41  27397.02   2149.68  230.856 4.9328  223.799 8.8684  7.057220       10.14797  
1 1 1 -17 37  8  o 173.421 3.5312  16314.93   663.276  16089.87   763.744  17005.53   1337.87  172.169 4.0956  176.612 6.9940  -4.442322      8.104922  
1 1 1 -17 37  9  o 243.180 5.2104  32156.33   1372.36  32225.34   1681.76  32018.77   2374.28  243.193 6.3847  241.663 9.0709  1.529999       11.09263  
1 1 1 -17 37  10 o 273.274 5.6820  40661.34   1681.78  42110.45   2058.94  37756.30   2915.21  277.764 6.8438  261.732 10.284  16.03189       12.35271  
1 1 1 -17 37  11 o 31.044  5.8584  542.386    189.761  502.203    225.141  640.957    352.623  29.721  7.0926  33.624  9.3457  -3.903151      11.73237  
1 1 1 -17 37  12 o 120.738 3.1354  7911.81    410.025  7835.38    473.866  8139.51    817.934  120.108 3.6426  121.921 6.2146  -1.813202      7.203456  
1 1 1 -17 37  13 o 223.192 4.2389  27101.86   1024.71  26380.80   1182.86  29270.41   2051.32  220.015 4.9638  230.491 8.2169  -10.47650      9.599852  
1 1 1 -17 37  14 o 98.381  3.2516  5258.49    346.479  4804.87    409.227  6406.90    651.127  93.963  4.0210  108.118 5.5793  -14.15537      6.877312  
1 1 1 -17 37  15 o 143.351 3.4347  11175.44   533.290  11178.39   620.563  11167.11   1042.88  143.263 3.9993  142.441 6.7597  0.8211212      7.854158  
1 1 1 -17 37  16 o 95.037  3.3304  4913.46    342.813  5215.41    404.219  4139.90    646.993  97.844  3.8143  86.312  6.9806  11.53250       7.954701  
1 1 1 -17 37  17 o 97.021  3.2869  5122.97    345.396  5010.38    406.052  5417.64    656.921  95.851  3.9112  98.981  6.1581  -3.129990      7.295222  
1 1 1 -17 37  18 o 59.658  3.7962  1949.71    244.018  2066.31    297.270  1708.83    427.260  61.283  4.5103  54.951  7.3640  6.332157       8.635471  
1 1 1 -17 37  19 o 48.806  4.4454  1315.79    232.416  1459.93    287.094  1041.70    395.902  51.242  5.2468  42.127  8.9528  9.115105       10.37695  
1 1 1 -17 37  20 o 80.364  2.9587  3518.44    257.532  3489.06    365.820  3547.32    362.610  79.666  4.2550  80.351  4.1810  -0.6846008     5.965371  
1 1 1 -17 37  21 o 112.417 3.2124  6900.02    391.137  7377.29    478.293  5936.43    679.606  116.050 3.8052  103.014 6.1185  13.03648       7.205240  
1 1 1 -17 37  22 f 68.586  2.4863  2561.99    184.700  2731.46    385.809  2511.60    210.374  70.006  5.1238  67.846  2.8628  2.159531       5.869386  
1 1 1 -17 37  23 f 59.979  3.7966  1985.67    245.370  2238.49    502.588  1906.56    281.154  62.011  7.6448  58.555  4.4668  3.456413       8.854125  
1 1 1 -17 37  24 o 39.964  2.3329  873.427    100.543  819.885    109.582  1158.41    252.810  38.663  2.6325  45.238  5.2577  -6.575153      5.879918  
1 1 1 -17 37  25 o 41.969  5.0486  1002.28    224.888  1334.08    465.727  901.384    256.812  45.927  9.6684  39.278  6.2458  6.648788       11.51030  
1 1 1 -17 37  26 o 47.398  4.6752  1280.45    236.885  750.799    504.539  1430.22    268.295  32.861  11.497  49.926  5.0301  -17.06457      12.54879  
1 1 1 -17 37  27 o 30.664  9.0622  632.316    321.908  808.084    496.404  504.760    422.878  33.045  11.412  27.721  10.403  5.324745       15.44241  
1 1 1 -17 37  28 o 18.146  8.0091  22.173     308.145  -327.2812  488.239  253.527    397.261  18.609  8.8531  23.004  9.5925  -4.395313      13.05346  
1 1 1 -17 37  29 o 20.753  8.5989  201.470    316.352  258.088    498.168  163.209    409.524  23.672  10.323  21.517  9.3721  2.155172       13.94284  
1 1 1 -17 37  30 o 20.764  9.0039  170.398    374.605  537.528    877.444  88.567     414.255  27.294  12.618  20.324  9.1079  6.970713       15.56214  
1 1 1 -17 38  1  o 162.118 3.5746  14254.18   627.666  14060.48   691.466  15160.90   1496.04  160.986 3.9656  166.661 8.2878  -5.675278      9.187684  
1 1 1 -17 38  2  o 104.125 2.7487  5876.61    309.998  5649.20    350.507  6693.40    664.268  102.076 3.1703  110.980 5.5262  -8.903915      6.371041  
1 1 1 -17 38  3  o 272.560 4.9282  40344.66   1454.86  40309.27   1677.03  40452.34   2925.00  272.314 5.6859  271.758 9.9374  0.5568542      11.44911  
1 1 1 -17 38  4  o 61.840  2.7421  2072.81    183.665  1968.29    203.411  2534.10    427.328  60.171  3.1320  68.019  5.8576  -7.848064      6.642343  
1 1 1 -17 38  5  o 113.020 2.9261  6924.69    358.186  6826.83    408.055  7253.23    747.709  112.200 3.3578  115.323 6.0069  -3.122658      6.881728  
1 1 1 -17 38  6  o 139.561 3.1665  10561.42   478.647  10631.33   549.221  10340.63   976.045  139.995 3.6221  137.810 6.5391  2.185150       7.475277  
1 1 1 -17 38  7  o 166.345 3.4076  15008.48   613.938  14868.92   705.850  15442.12   1244.22  165.527 3.9371  168.337 6.8242  -2.810043      7.878447  
1 1 1 -17 38  8  o 193.443 3.7731  20306.75   790.532  20847.18   911.300  18663.47   1589.08  195.940 4.2941  184.799 7.9392  11.14114       9.026062  
1 1 1 -17 38  9  o 127.403 3.6101  8808.45    498.155  9008.64    609.845  8407.01    863.587  128.780 4.3722  124.020 6.4513  4.760475       7.793295  
1 1 1 -17 38  10 o 256.593 5.4704  35845.98   1520.32  36510.44   1861.86  34516.42   2633.71  258.634 6.6465  250.364 9.7124  8.269913       11.76887  
1 1 1 -17 38  11 o 137.712 3.1914  10291.63   476.013  10613.64   550.723  9340.43    946.531  139.806 3.6370  130.561 6.7162  9.245010       7.637742  
1 1 1 -17 38  12 o 28.125  5.8498  447.634    172.390  386.454    195.984  656.825    362.400  26.099  6.8475  33.975  9.4854  -7.876532      11.69881  
1 1 1 -17 38  13 o 103.817 3.0527  5851.71    343.257  5837.29    396.409  5894.93    686.252  103.645 3.5312  103.623 6.1418  0.2136230E-01  7.084605  
1 1 1 -17 38  14 o 11.226  5.3117  -200.8116  171.196  -175.2833  205.062  -259.5261  310.992  13.079  6.0653  16.122  7.4741  -3.043326      9.625482  
1 1 1 -17 38  15 o 58.265  4.0440  1858.36    253.627  1898.22    299.890  1758.25    475.306  58.771  4.7518  55.766  8.1066  3.004963       9.396644  
1 1 1 -17 38  16 o 33.978  5.9861  652.606    212.252  751.257    249.376  393.276    404.324  36.385  6.5698  28.416  10.256  7.968847       12.17968  
1 1 1 -17 38  17 o 117.642 3.2328  7531.82    411.919  7549.04    477.166  7481.45    816.074  117.678 3.7437  116.209 6.5098  1.468826       7.509566  
1 1 1 -17 38  18 o 78.127  3.4881  3327.44    295.166  3183.42    353.617  3658.32    535.986  76.169  4.3039  81.143  6.1442  -4.973656      7.501676  
1 1 1 -17 38  19 o 92.635  3.2272  4677.07    323.796  4587.60    383.221  4900.34    605.373  91.619  3.8618  93.916  5.9825  -2.297234      7.120646  
1 1 1 -17 38  20 o 60.037  2.4860  1960.45    161.654  1972.90    306.806  1955.67    190.196  59.698  4.7852  59.913  2.9309  -0.2154694     5.611460  
1 1 1 -17 38  21 o 150.051 3.1784  12293.57   516.558  12103.93   663.217  12586.02   823.608  148.476 4.1241  150.896 5.0393  -2.420624      6.511745  
1 1 1 -17 38  22 o 71.874  2.9649  2820.70    230.811  3068.06    511.293  2757.39    258.667  73.579  6.4820  70.979  3.3646  2.599319       7.303209  
1 1 1 -17 38  23 o 63.959  3.6067  2253.43    248.834  1801.05    514.641  2391.45    284.272  54.791  8.9836  65.766  4.0100  -10.97489      9.837951  
1 1 1 -17 38  24 o 41.602  5.0601  979.513    223.306  875.015    472.113  1009.63    253.449  36.959  10.987  42.002  5.7200  -5.043324      12.38695  
1 1 1 -17 38  25 o 33.899  6.2071  676.565    219.506  1059.22    482.770  576.841    246.454  39.948  10.869  30.767  7.4704  9.180235       13.18842  
1 1 1 -17 38  26 o 45.651  4.8455  1195.32    235.922  2071.61    516.547  964.338    265.198  57.222  8.6005  40.196  6.2984  17.02635       10.66011  
1 1 1 -17 38  27 o 15.334  3.7214  136.721    61.181   115.704    61.859   1080.45    414.517  14.131  3.9096  39.639  9.7275  -25.50832      10.48379  
1 1 1 -17 38  28 o 19.701  8.3691  124.289    311.343  381.672    483.085  -58.5752   407.191  25.609  10.620  19.292  8.7986  6.317741       13.79116  
1 1 1 -17 38  29 o 18.927  8.4183  41.764     346.869  42.720     486.743  40.777     494.440  21.243  9.6617  21.332  9.7161  -0.8933449E-01 13.70222  
1 1 1 -17 38  30 o 24.214  9.9948  382.526    425.046  0.0000     0.0000   382.526    425.046  ?       ?       24.214  9.9948  0.000000       9.994777  
1 1 1 -17 39  1  o 227.356 3.9188  28044.88   964.995  26556.92   1109.89  32653.63   1953.34  221.161 4.6334  244.756 7.3684  -23.59444      8.704146  
1 1 1 -17 39  2  o 379.550 6.6805  78432.56   2746.29  79599.38   3168.86  74911.82   5504.50  382.043 7.6581  367.736 13.820  14.30740       15.80006  
1 1 1 -17 39  3  o 213.729 4.6251  24802.18   1070.67  25312.27   1178.21  22384.33   2565.15  215.864 5.0393  201.286 11.818  14.57809       12.84743  
1 1 1 -17 39  4  o 56.113  2.9114  1711.52    176.335  1730.81    194.273  1621.32    420.146  56.408  3.1929  54.047  7.3693  2.360664       8.031279  
1 1 1 -17 39  5  o 260.405 4.7425  36827.82   1337.61  36663.90   1541.88  37326.45   2689.19  259.700 5.4816  261.040 9.5114  -1.340210      10.97789  
1 1 1 -17 39  6  o 247.808 4.5705  33348.49   1226.74  33785.43   1414.30  32021.06   2465.10  249.318 5.2374  241.740 9.4149  7.577057       10.77363  
1 1 1 -17 39  7  o 145.199 3.2134  11434.06   505.354  11113.31   579.885  12446.81   1030.40  143.110 3.7411  151.180 6.2928  -8.069260      7.320857  
1 1 1 -17 39  8  o 56.214  2.4133  1712.87    146.935  2093.74    222.969  1420.51    195.353  62.037  3.3306  51.043  3.5558  10.99397       4.871984  
1 1 1 -17 39  9  o 64.477  2.8247  2254.42    197.264  2727.10    339.358  2013.20    242.429  70.706  4.4541  60.789  3.6997  9.916702       5.790195  
1 1 1 -17 39  10 o 110.120 3.4815  6582.30    415.241  6687.76    507.468  6368.60    722.349  110.939 4.2233  107.872 6.2087  3.066368       7.508996  
1 1 1 -17 39  11 o 57.874  3.4283  1824.85    213.942  1803.57    251.376  1880.77    407.488  57.464  4.0651  58.301  6.5675  -0.8368912     7.723777  
1 1 1 -17 39  12 o 90.660  2.8216  4459.88    277.064  4338.53    348.200  4669.31    457.440  89.363  3.5975  92.617  4.5601  -3.254349      5.808319  
1 1 1 -17 39  13 o 63.300  3.4477  2183.85    235.484  2195.05    273.660  2151.90    462.225  63.393  4.0063  62.226  6.9785  1.167347       8.046722  
1 1 1 -17 39  14 o 140.210 3.3516  10686.72   508.983  10580.69   592.096  10986.89   996.209  139.416 3.9211  141.429 6.5034  -2.012772      7.594068  
1 1 1 -17 39  15 o 146.471 3.4189  11670.69   542.394  11735.52   628.115  11480.61   1075.53  146.767 3.9513  144.290 6.8820  2.477188       7.935685  
1 1 1 -17 39  16 o 142.821 3.3946  11101.91   525.108  10858.69   609.613  11801.32   1033.76  141.114 3.9885  146.270 6.5252  -5.156494      7.647631  
1 1 1 -17 39  17 o 30.617  6.2882  535.596    201.548  388.810    233.444  965.364    399.444  26.177  7.7119  40.616  9.2827  -14.43883      12.06824  
1 1 1 -17 39  18 o 67.731  3.5645  2509.02    260.572  2475.83    303.653  2601.73    507.497  67.154  4.1959  68.052  6.9843  -0.8983536     8.147758  
1 1 1 -17 39  19 o 56.311  3.3810  1735.69    205.256  1649.10    285.235  1828.68    295.594  54.567  4.8776  57.504  4.7895  -2.937515      6.835983  
1 1 1 -17 39  20 o 74.183  2.8047  2997.24    225.351  3230.21    407.304  2894.47    270.530  76.404  4.9485  72.797  3.4311  3.606377       6.021623  
1 1 1 -17 39  21 o 10.710  5.1511  -254.1809  175.381  -271.3351  285.401  -243.7728  222.308  14.887  6.9861  12.830  6.0655  2.056935       9.251810  
1 1 1 -17 39  22 o 38.088  1.8457  788.185    76.140   1034.97    359.915  776.623    77.903   41.753  8.2512  37.755  1.9113  3.998505       8.469672  
1 1 1 -17 39  23 o 20.962  7.0727  239.175    190.460  -266.4525  439.872  355.843    211.293  19.380  8.9507  24.674  7.3538  -5.293888      11.58421  
1 1 1 -17 39  24 o 17.192  1.6163  161.999    29.743   164.375    29.997   23.575     228.984  17.318  1.6179  16.774  7.1527  0.5441360      7.333405  
1 1 1 -17 39  25 o 38.374  1.5231  800.534    63.305   447.712    477.768  806.840    63.868   28.335  10.954  38.525  1.5307  -10.18988      11.06087  
1 1 1 -17 39  26 f 31.738  7.6736  636.591    260.882  541.917    491.438  673.740    307.839  28.966  11.134  32.122  8.6537  -3.156311      14.10172  
1 1 1 -17 39  27 o 22.305  8.7697  261.431    310.329  -368.0386  479.023  716.681    407.374  18.355  8.7423  31.768  10.332  -13.41312      13.53439  
1 1 1 -17 39  28 o 25.242  9.1275  418.608    320.467  83.648     495.225  659.930    420.344  22.180  9.9477  29.970  10.493  -7.790363      14.45895  
1 1 1 -17 39  29 o 17.455  1.7152  168.148    32.008   170.521    32.111   -200.5476  400.315  17.581  1.7079  17.478  8.2248  0.1027164      8.400227  
1 1 1 -17 39  30 o 16.331  7.8246  -311.2091  396.022  0.0000     0.0000   -311.2091  396.022  ?       ?       16.331  7.8246  0.000000       7.824605  
1 1 1 -17 40  1  o 248.970 7.5016  33805.48   2022.88  33552.98   2482.70  34304.23   3489.20  247.586 9.2582  248.746 12.996  -1.160431      15.95652  
1 1 1 -17 40  2  o 144.008 3.1032  11244.36   484.019  11135.14   553.170  11601.09   999.752  143.279 3.5646  145.998 6.3223  -2.718750      7.257932  
1 1 1 -17 40  3  o 158.871 3.2395  13686.96   557.435  13686.27   638.674  13689.20   1142.11  158.834 3.7125  158.547 6.6509  0.2870331      7.616865  
1 1 1 -17 40  4  o 174.887 3.7500  16593.70   710.320  16868.10   779.401  15248.37   1725.78  176.298 4.0817  166.543 9.6081  9.754883       10.43914  
1 1 1 -17 40  5  o 380.327 6.4029  78764.53   2637.57  75734.25   3043.04  87916.89   5288.51  372.546 7.5415  398.939 12.239  -26.39304      14.37619  
1 1 1 -17 40  6  f 61.919  2.8463  2078.66    190.885  2064.53    213.388  2135.22    427.057  61.616  3.2086  62.286  6.4224  -0.6706467     7.179331  
1 1 1 -17 40  7  o 144.389 3.2487  11308.35   508.058  11056.88   567.487  12323.91   1140.40  142.744 3.6705  150.300 7.0053  -7.556290      7.908683  
1 1 1 -17 40  8  o 96.962  2.8801  5098.40    302.473  5086.13    346.741  5137.43    618.662  96.825  3.3063  96.944  5.9203  -0.1194229     6.781033  
1 1 1 -17 40  9  o 361.206 7.7828  71428.31   3044.80  73549.87   3369.81  61994.05   7106.12  366.151 8.4972  326.035 20.223  40.11615       21.93564  
1 1 1 -17 40  10 o 283.957 6.5271  44044.83   2007.45  43675.80   2234.98  45585.44   4566.61  282.458 7.3055  283.433 14.928  -0.9744568     16.61992  
1 1 1 -17 40  11 o 74.183  3.0462  2986.57    244.754  2970.73    284.141  3032.12    481.838  73.958  3.5471  74.276  6.0417  -0.3179398     7.006058  
1 1 1 -17 40  12 o 48.950  2.3362  1299.51    123.859  1537.91    230.466  1202.69    146.873  53.023  4.0435  46.984  2.9003  6.038887       4.976120  
1 1 1 -17 40  13 o 157.969 3.5054  13564.64   599.765  13954.49   696.045  12440.61   1181.89  160.130 4.0132  150.361 7.2573  9.768204       8.293002  
1 1 1 -17 40  14 o 105.901 3.1551  6094.87    361.896  6407.64    422.592  5234.58    700.858  108.527 3.5951  97.329  6.6890  11.19830       7.593940  
1 1 1 -17 40  15 o 134.908 3.3172  9899.73    484.708  9942.52    563.495  9777.99    950.436  135.096 3.8510  133.217 6.5871  1.878235       7.630199  
1 1 1 -17 40  16 o 126.182 3.3306  8665.22    455.185  8277.10    528.862  9774.37    894.037  123.198 3.9634  133.210 6.1965  -10.01254      7.355629  
1 1 1 -17 40  17 o 71.574  2.6984  2784.53    209.184  2615.70    315.750  2916.59    279.260  69.058  4.2420  73.157  3.5244  -4.099388      5.515008  
1 1 1 -17 40  18 f 34.207  5.0178  655.964    180.382  571.494    251.571  745.344    258.780  31.371  7.5047  36.047  6.8790  -4.676659      10.18048  
1 1 1 -17 40  19 o 41.660  4.5485  963.335    201.904  772.318    306.263  1110.17    268.517  36.361  7.9944  44.469  5.7067  -8.108173      9.822240  
1 1 1 -17 40  20 o 23.158  0.8709  290.585    21.845   280.281    31.113   300.603    30.678   22.701  1.2705  23.516  1.2086  -0.8156261     1.753514  
1 1 1 -17 40  21 o 61.170  3.6715  2057.17    242.128  1832.28    373.454  2220.26    318.028  56.941  6.1532  63.270  4.6739  -6.329033      7.727092  
1 1 1 -17 40  22 o 23.307  1.3140  295.630    33.036   52.152     349.935  297.820    33.184   20.842  8.8636  23.394  1.3150  -2.552052      8.960622  
1 1 1 -17 40  23 o 64.233  3.5634  2272.57    246.939  3023.69    539.604  2073.59    277.727  72.519  6.9553  61.140  4.2198  11.37927       8.135268  
1 1 1 -17 40  24 f 70.211  3.5507  2720.98    269.136  2672.00    572.817  2734.85    304.884  67.060  8.0472  70.202  4.0265  -3.142410      8.998350  
1 1 1 -17 40  25 o 78.344  3.3465  3388.61    283.965  3173.67    618.854  3445.93    319.597  72.305  8.0382  78.814  3.7439  -6.509048      8.867373  
1 1 1 -17 40  26 o 27.010  8.1062  466.687    256.083  540.810    480.533  437.287    302.638  28.796  11.024  26.208  8.9151  2.588169       14.17770  
1 1 1 -17 40  27 o 45.949  7.1773  1310.49    345.518  1492.95    525.431  1171.48    458.626  45.570  10.809  40.572  10.391  4.997849       14.99362  
1 1 1 -17 40  28 o 63.941  5.7650  2441.17    394.959  2049.97    593.224  2752.65    529.333  53.036  10.696  65.821  7.5623  -12.78518      13.09957  
1 1 1 -17 40  29 o 18.201  8.0510  41.979     313.045  416.670    490.966  -214.7051  406.362  25.378  10.630  17.463  8.2388  7.914921       13.44898  
1 1 1 -17 40  30 o 37.491  10.821  1130.54    463.817  0.0000     0.0000   1130.54    463.817  ?       ?       37.491  10.821  0.000000       10.82076  
1 1 1 -17 41  1  f 47.019  5.1211  1215.52    256.582  1224.52    350.103  1205.06    377.127  46.874  7.1199  46.371  7.7846  0.5028000      10.54956  
1 1 1 -17 41  2  o 188.853 3.7739  19350.93   771.947  18375.46   901.881  22023.67   1492.86  183.956 4.5265  201.040 6.8559  -17.08461      8.215428  
1 1 1 -17 41  3  o 353.227 6.0822  67902.12   2326.94  66932.26   2684.22  70835.22   4667.97  350.393 7.0728  358.225 12.031  -7.832764      13.95598  
1 1 1 -17 41  4  o 335.424 5.9032  61219.19   2144.64  60518.22   2473.70  63340.69   4303.48  333.224 6.8540  338.833 11.726  -5.609253      13.58251  
1 1 1 -17 41  5  o 56.106  3.5478  1714.59    214.486  1973.42    251.062  1015.31    412.665  60.178  3.8725  42.237  9.2745  17.94042       10.05044  
1 1 1 -17 41  6  o 234.481 4.5865  29868.67   1164.82  30583.28   1261.47  25733.80   3034.40  237.215 4.9098  214.883 13.100  22.33165       13.99009  
1 1 1 -17 41  7  o 111.658 2.9364  6761.15    355.119  6720.17    405.975  6894.66    732.796  111.295 3.3678  112.346 6.0444  -1.050415      6.919364  
1 1 1 -17 41  8  o 259.908 4.6517  36720.55   1309.49  36537.72   1510.62  37273.28   2626.58  259.096 5.3830  260.394 9.3130  -1.298309      10.75680  
1 1 1 -17 41  9  o 173.659 4.1391  16386.06   778.523  17021.89   955.914  15133.51   1341.67  176.864 4.9901  166.276 7.4498  10.58821       8.966647  
1 1 1 -17 41  10 o 85.070  3.0137  3926.86    277.684  3826.86    383.170  4037.48    402.988  83.794  4.2357  86.061  4.3372  -2.267715      6.062365  
1 1 1 -17 41  11 o 135.513 3.2286  9970.24    473.874  10591.80   551.146  8208.02    928.012  139.625 3.6445  122.179 7.0426  17.44569       7.929674  
1 1 1 -17 41  12 o 293.902 5.6422  47197.40   1796.06  47042.37   1933.12  48175.77   4856.26  293.206 6.0872  288.198 15.616  5.007904       16.76032  
1 1 1 -17 41  13 o 186.357 3.7495  18893.10   756.811  17623.42   874.276  22688.71   1511.62  179.809 4.4892  203.137 6.8704  -23.32817      8.207023  
1 1 1 -17 41  14 o 106.423 3.1599  6156.04    364.235  6234.65    424.660  5937.28    708.442  107.032 3.6632  103.757 6.3343  3.274849       7.317264  
1 1 1 -17 41  15 o 180.080 3.7475  17664.38   730.929  17471.77   847.308  18224.66   1445.08  178.908 4.3726  181.419 7.3543  -2.510834      8.556021  
1 1 1 -17 41  16 o 91.750  3.2650  4581.15    324.458  4048.50    377.876  6075.75    632.981  86.138  4.0503  105.029 5.5844  -18.89020      6.898556  
1 1 1 -17 41  17 o 43.932  2.1303  1047.70    101.368  1138.93    254.346  1030.47    110.525  45.234  5.2914  43.495  2.3549  1.739243       5.791797  
1 1 1 -17 41  18 o 33.334  5.4772  627.616    190.883  929.842    285.329  382.777    256.815  40.390  6.7613  26.106  8.1724  14.28416       10.60673  
1 1 1 -17 41  19 o 50.312  4.1396  1395.49    223.578  1616.59    340.768  1228.39    296.258  53.699  5.9595  46.717  5.9932  6.981651       8.451852  
1 1 1 -17 41  20 o ?       ?       -287.0094  23.025   234.198    275.767  -290.6683  23.105   22.579  8.4152  ?       ?       0.000000       8.415239  
1 1 1 -17 41  21 o 23.096  7.1549  303.004    197.430  536.163    300.244  125.389    262.053  30.072  8.7137  19.887  7.9799  10.18505       11.81557  
1 1 1 -17 41  22 o 49.204  4.3773  1346.62    230.845  1395.46    386.792  1319.59    287.703  48.892  7.5472  48.304  5.6032  0.5881996      9.399773  
1 1 1 -17 41  23 o 35.815  5.4236  732.084    203.803  950.546    462.822  679.534    226.995  38.769  10.681  34.164  6.3688  4.605156       12.43541  
1 1 1 -17 41  24 o 82.489  3.2751  3739.44    292.610  4355.12    626.810  3567.88    330.876  86.804  6.7193  80.371  3.8010  6.432114       7.719871  
1 1 1 -17 41  25 o 79.283  3.4699  3479.06    297.969  3649.94    622.455  3428.26    339.381  77.973  7.4616  78.324  4.0141  -0.3516388     8.472791  
1 1 1 -17 41  26 o 23.800  8.1531  347.641    253.134  197.681    472.948  407.845    299.669  23.784  10.214  25.465  8.8629  -1.681364      13.52318  
1 1 1 -17 41  27 o 9.6904  2.7985  53.033     31.015   54.074     31.112   -113.9300  394.006  9.7749  2.7970  18.622  8.5534  -8.846797      8.999119  
1 1 1 -17 41  28 o 14.400  6.8765  -287.4188  300.424  -228.7291  470.374  -327.8551  390.434  18.849  8.8837  16.396  7.8323  2.452793       11.84334  
1 1 1 -17 41  29 o 25.850  9.2306  471.358    326.640  374.489    509.866  538.790    425.399  24.896  10.646  26.984  10.362  -2.087914      14.85644  
1 1 1 -17 41  30 o 16.264  7.8014  -320.5599  396.198  0.0000     0.0000   -320.5599  396.198  ?       ?       16.264  7.8014  0.000000       7.801384  
1 1 1 -17 42  1  o 215.699 6.2597  25334.52   1462.43  27906.30   1825.77  20730.74   2442.78  226.125 7.4546  193.471 11.713  32.65453       13.88362  
1 1 1 -17 42  2  o 127.324 3.0920  8790.97    426.404  8832.91    486.361  8651.61    886.501  127.602 3.5191  125.855 6.5258  1.747070       7.414174  
1 1 1 -17 42  3  o 92.258  2.8706  4614.84    286.843  4799.57    323.797  3941.26    618.294  94.074  3.1778  84.767  6.7914  9.307587       7.498147  
1 1 1 -17 42  4  o 105.169 2.8803  5997.06    328.088  6302.28    371.238  4908.27    701.155  107.798 3.1796  94.631  6.8881  13.16678       7.586553  
1 1 1 -17 42  5  o 45.844  1.9552  1138.80    97.084   1167.86    163.354  1122.93    120.717  46.285  3.2797  45.449  2.4615  0.8361778      4.100683  
1 1 1 -17 42  6  o 314.684 5.5544  53890.51   1893.14  55160.25   2184.19  50055.68   3795.82  318.135 6.3388  300.796 11.651  17.33844       13.26372  
1 1 1 -17 42  7  o 218.747 4.0579  25986.06   961.427  25775.25   1107.85  26629.20   1935.00  217.754 4.6973  220.518 8.1015  -2.764160      9.364748  
1 1 1 -17 42  8  o 53.337  3.1671  1548.92    182.139  1462.21    206.688  1850.26    385.323  51.763  3.7112  57.913  6.2416  -6.149715      7.261583  
1 1 1 -17 42  9  o 211.028 4.6925  24226.68   1072.55  23522.91   1313.36  25635.75   1858.38  207.683 5.8387  216.169 7.9373  -8.486145      9.853438  
1 1 1 -17 42  10 o 205.989 4.6188  23091.13   1030.48  23691.92   1260.50  21880.52   1789.30  208.417 5.5839  199.444 8.2831  8.973419       9.989470  
1 1 1 -17 42  11 o 46.080  3.7105  1161.45    183.623  1142.79    212.892  1215.66    362.870  45.619  4.3619  46.486  7.4593  -0.8675499     8.640988  
1 1 1 -17 42  12 o 63.005  3.5136  2164.33    238.817  2561.58    288.292  1295.55    426.339  68.511  3.9013  47.712  8.5648  20.79885       9.411490  
1 1 1 -17 42  13 o 33.981  5.4648  647.136    194.316  671.187    228.457  584.217    369.510  34.442  6.3584  32.173  9.7558  2.268902       11.64490  
1 1 1 -17 42  14 o 89.472  3.2311  4352.59    313.117  4138.17    367.884  4916.23    596.462  87.161  3.8969  94.485  5.8573  -7.323509      7.035169  
1 1 1 -17 42  15 o 63.778  3.5901  2221.92    246.994  2026.13    293.505  2697.05    457.220  60.743  4.4931  69.761  6.1129  -9.018135      7.586516  
1 1 1 -17 42  16 o 43.897  3.9956  1059.95    187.891  1052.74    259.552  1067.90    272.346  43.412  5.6543  43.667  5.9102  -0.2553482     8.179358  
1 1 1 -17 42  17 o 58.940  2.3181  1886.85    147.980  1752.09    345.800  1917.06    163.729  56.089  5.7746  59.392  2.5452  -3.302544      6.310678  
1 1 1 -17 42  18 o 51.333  3.9176  1448.44    216.167  1525.13    318.210  1382.72    294.569  52.260  5.7149  49.774  5.5591  2.486641       7.972657  
1 1 1 -17 42  19 o 31.469  6.2452  568.767    205.353  604.079    291.176  533.822    289.657  32.050  8.3164  30.201  8.4973  1.848011       11.88976  
1 1 1 -17 42  20 o 20.583  1.2072  230.478    26.795   -14.6919   296.224  232.501    26.906   18.501  8.0147  20.673  1.2069  -2.171797      8.105039  
1 1 1 -17 42  21 o 12.796  5.8228  -100.6656  177.065  -195.6575  284.233  -40.4221   226.353  15.648  7.2159  15.734  6.9071  -0.8533478E-01 9.988902  
1 1 1 -17 42  22 o 48.531  4.7357  1316.75    245.755  1185.62    408.439  1391.17    307.684  44.399  8.8045  49.502  5.8519  -5.103016      10.57185  
1 1 1 -17 42  23 o 33.957  5.7204  663.875    202.914  698.307    459.000  655.511    226.220  33.564  10.970  33.482  6.4722  0.8145142E-01  12.73672  
1 1 1 -17 42  24 o 54.974  3.9684  1682.02    234.703  1357.92    517.811  1765.82    263.304  45.737  10.651  56.179  4.3615  -10.44107      11.50967  
1 1 1 -17 42  25 o 61.760  2.6448  2093.63    176.915  2026.41    222.947  2207.92    290.724  60.399  3.4221  62.600  4.3142  -2.201077      5.506601  
1 1 1 -17 42  26 f 49.180  6.6993  1463.70    347.567  1048.35    521.858  1794.82    465.947  37.501  11.635  53.056  8.3871  -15.55474      14.34285  
1 1 1 -17 42  27 o 28.734  9.6127  569.992    351.793  735.912    490.880  394.794    504.417  31.363  11.303  26.172  10.852  5.191011       15.66975  
1 1 1 -17 42  28 o 27.784  2.4108  428.384    71.830   413.031    72.842   969.379    432.410  27.255  2.4953  35.891  10.474  -8.635477      10.76692  
1 1 1 -17 42  29 o 31.825  9.1527  734.078    332.377  672.861    512.511  778.515    436.653  28.822  11.289  31.199  10.708  -2.377251      15.55929  
1 1 1 -17 43  1  o 83.727  4.1292  3806.07    374.462  4009.83    521.733  3589.60    537.770  85.660  5.6552  80.953  6.1800  4.707634       8.376989  
1 1 1 -17 43  2  o 79.607  2.5128  3435.23    216.659  3548.58    265.388  3208.71    375.163  80.893  3.0290  76.724  4.5347  4.169121       5.453325  
1 1 1 -17 43  3  o 19.842  4.5904  222.471    96.692   219.414    101.584  251.933    315.379  19.704  4.8035  24.314  9.0117  -4.610424      10.21196  
1 1 1 -17 43  4  o 189.805 3.9510  19556.87   812.246  19635.75   887.023  19147.28   2021.19  190.144 4.3071  186.326 10.053  3.818405       10.93636  
1 1 1 -17 43  5  o 52.352  2.9013  1490.79    163.870  1518.15    181.245  1368.26    383.546  52.808  3.1837  49.522  7.3758  3.285770       8.033532  
1 1 1 -17 43  6  o 30.408  4.0621  510.999    130.440  483.046    142.863  651.074    319.805  29.460  4.6300  33.821  8.6851  -4.361418      9.842151  
1 1 1 -17 43  7  o 133.953 3.0781  9734.18    446.592  9616.48    512.549  10105.24   910.067  133.102 3.5553  136.126 6.1725  -3.024002      7.123210  
1 1 1 -17 43  8  o 24.778  5.5512  347.683    145.282  335.097    165.271  390.478    304.747  24.322  6.2423  27.198  8.9408  -2.875362      10.90432  
1 1 1 -17 43  9  o 189.536 4.3724  19536.49   897.597  20247.71   1101.57  18131.26   1548.40  192.771 5.2759  181.743 7.8660  11.02824       9.471531  
1 1 1 -17 43  10 o 203.117 4.5539  22456.24   1001.85  22048.74   1224.74  23280.37   1741.73  200.999 5.6257  205.802 7.8138  -4.802826      9.628293  
1 1 1 -17 43  11 o 173.598 3.5896  16378.96   674.941  15333.00   779.332  19517.59   1350.00  167.836 4.2871  188.699 6.6053  -20.86314      7.874649  
1 1 1 -17 43  12 f 210.225 4.0075  24055.17   912.487  22860.58   1054.11  27626.50   1822.60  204.728 4.7538  223.871 7.5166  -19.14302      8.893686  
1 1 1 -17 43  13 o 135.095 3.2478  9920.95    475.228  9942.79    550.381  9856.95    942.107  135.158 3.7597  133.907 6.4957  1.250549       7.505297  
1 1 1 -17 43  14 f 57.599  3.6666  1813.54    227.554  1857.22    267.066  1697.80    434.711  58.198  4.2666  54.905  7.5067  3.292953       8.634514  
1 1 1 -17 43  15 o 72.260  2.9419  2838.44    230.248  2881.17    314.837  2789.30    337.593  72.573  4.0210  71.335  4.3907  1.238861       5.953775  
1 1 1 -17 43  16 o 153.978 3.4380  12914.96   573.370  12850.27   820.956  12976.56   801.142  153.115 4.9503  153.919 4.8056  -0.8036804     6.899222  
1 1 1 -17 43  17 o 27.043  0.9968  396.261    29.195   47.842     261.395  400.662    29.379   18.592  7.7692  27.192  0.9975  -8.600790      7.832940  
1 1 1 -17 43  18 o 49.419  4.1574  1346.05    220.466  1367.64    312.987  1324.78    310.598  49.370  5.9748  48.563  6.0352  0.8072433      8.492405  
1 1 1 -17 43  19 o 145.764 3.4360  11603.44   542.462  11578.06   785.070  11626.63   750.417  144.928 5.0013  145.349 4.7667  -0.4205170     6.909045  
1 1 1 -17 43  20 o 44.400  4.4683  1095.51    211.961  1019.27    322.289  1153.63    281.375  41.919  7.3674  45.166  5.8921  -3.247421      9.433777  
1 1 1 -17 43  21 o 61.173  3.7171  2059.93    245.115  1719.22    387.963  2286.27    316.222  54.867  6.6653  64.197  4.5779  -9.329517      8.085996  
1 1 1 -17 43  22 o 54.985  4.0756  1674.71    240.992  1707.41    396.937  1655.62    303.287  54.436  6.8863  54.285  5.2227  0.1507988      8.642783  
1 1 1 -17 43  23 o 75.260  4.0021  3135.43    325.053  3762.29    583.332  2853.12    391.462  80.926  6.7158  71.298  5.1030  9.628479       8.434605  
1 1 1 -17 43  24 o 72.373  2.7179  2868.67    213.053  3408.85    575.382  2782.84    229.356  76.240  7.0477  71.204  2.9740  5.036621       7.649442  
1 1 1 -17 43  25 f 55.960  4.0947  1762.12    246.457  2439.49    528.744  1574.10    278.569  62.896  7.9384  52.413  4.9663  10.48306       9.363918  
1 1 1 -17 43  26 o 31.950  1.8512  559.105    63.788   559.375    64.551   547.864    416.016  31.953  1.8734  28.590  10.390  3.362923       10.55768  
1 1 1 -17 43  27 o 31.907  8.9811  694.591    323.505  1173.33    494.334  335.973    427.845  39.605  11.086  24.681  10.089  14.92394       14.98931  
1 1 1 -17 43  28 o 24.452  8.9857  392.597    312.389  430.697    469.254  362.273    418.635  25.820  10.561  24.507  9.9943  1.312744       14.54061  
1 1 1 -17 43  29 o 8.9759  2.9125  43.732     32.377   42.361     32.446   363.617    495.645  8.8775  2.9173  24.584  10.504  -15.70657      10.90173  
1 1 1 -17 44  1  o 44.778  2.2259  1086.68    107.955  1102.43    336.772  1084.88    113.969  44.371  7.2586  44.676  2.3637  -0.3050346     7.633806  
1 1 1 -17 44  2  o 155.135 3.1486  13054.03   529.045  12189.38   605.049  15861.69   1090.29  149.862 3.7276  170.671 5.8981  -20.80843      6.977288  
1 1 1 -17 44  3  o 120.303 2.9724  7848.94    387.307  7871.57    441.029  7772.64    809.730  120.452 3.3805  119.261 6.2909  1.190804       7.141649  
1 1 1 -17 44  4  o 144.511 3.1565  11328.05   494.063  11015.41   564.909  12345.26   1018.97  142.463 3.6611  150.500 6.2511  -8.037064      7.244259  
1 1 1 -17 44  5  o 114.816 2.9377  7149.70    365.322  7269.20    416.278  6749.28    762.023  115.747 3.3205  111.072 6.3607  4.675018       7.175212  
1 1 1 -17 44  6  o 55.187  2.1599  1650.74    129.104  1633.13    196.335  1664.15    171.363  54.759  3.3261  55.318  2.8699  -0.5590706     4.393103  
1 1 1 -17 44  7  o 75.698  2.4335  3106.78    199.519  2966.18    257.556  3317.78    315.509  73.933  3.2164  78.165  3.7268  -4.231911      4.922780  
1 1 1 -17 44  8  o 167.368 3.6093  15212.18   654.287  15785.16   722.342  12594.00   1544.10  170.449 3.9127  150.766 9.5045  19.68312       10.27840  
1 1 1 -17 44  9  o 156.417 3.8941  13296.83   659.719  13943.93   811.382  12034.52   1133.24  160.053 4.6805  148.210 7.0595  11.84261       8.470189  
1 1 1 -17 44  10 f 79.498  3.3696  3432.74    290.132  3694.37    354.496  2901.93    504.933  82.424  3.9709  72.520  6.4973  9.903671       7.614659  
1 1 1 -17 44  11 o 140.300 3.2586  10693.38   495.170  11224.27   559.953  8789.02    1060.54  143.691 3.5979  126.037 7.8073  17.65461       8.596441  
1 1 1 -17 44  12 o 63.764  3.4529  2217.07    237.579  2066.84    276.541  2640.37    464.214  61.459  4.1792  69.099  6.2709  -7.640553      7.535890  
1 1 1 -17 44  13 o 85.970  3.2215  4018.00    299.971  4277.25    351.408  3321.75    575.888  88.651  3.6598  77.331  6.9499  11.31944       7.854595  
1 1 1 -17 44  14 o 55.558  3.7444  1688.76    224.006  1745.98    263.196  1538.39    426.674  56.398  4.3421  52.118  7.7983  4.280193       8.925616  
1 1 1 -17 44  15 o 103.346 2.7880  5804.50    312.074  5767.44    409.134  5856.04    482.582  102.883 3.6716  103.552 4.3027  -0.6694641     5.656290  
1 1 1 -17 44  16 o 64.116  3.4461  2246.24    238.439  2220.47    366.354  2265.18    314.061  63.341  5.3913  64.177  4.5476  -0.8361053     7.053179  
1 1 1 -17 44  17 o 58.903  3.4844  1898.57    221.305  2294.89    354.446  1645.36    283.315  64.417  5.1225  54.545  4.8461  9.871300       7.051569  
1 1 1 -17 44  18 o 76.598  3.3156  3199.95    275.073  3392.48    392.077  3013.32    386.017  78.476  4.6334  73.884  4.8507  4.591408       6.707988  
1 1 1 -17 44  19 f 48.541  4.1482  1301.29    216.001  1497.02    319.994  1137.46    292.763  51.632  5.8238  44.812  6.1978  6.819859       8.504636  
1 1 1 -17 44  20 o 95.814  3.2997  5017.42    342.427  4943.12    502.560  5081.80    467.832  94.451  4.9297  96.051  4.4970  -1.599869      6.672659  
1 1 1 -17 44  21 o 21.394  6.9784  253.339    185.786  377.910    296.544  172.852    238.364  26.037  8.8250  20.256  7.7619  5.781704       11.75282  
1 1 1 -17 44  22 o 33.946  5.9603  664.538    211.147  696.343    360.239  647.893    260.605  33.717  9.4726  33.025  7.4616  0.6921043      12.05845  
1 1 1 -17 44  23 o 45.438  1.8041  1122.73    88.787   720.507    466.138  1137.87    90.443   33.809  11.055  45.741  1.8256  -11.93196      11.20464  
1 1 1 -17 44  24 o 25.608  6.9938  396.444    199.453  -47.4526   454.553  502.290    221.963  21.413  9.5723  28.741  7.1574  -7.328505      11.95229  
1 1 1 -17 44  25 o 25.968  7.7282  423.098    233.479  825.328    465.008  287.514    269.977  34.162  11.033  22.625  8.3473  11.53688       13.83467  
1 1 1 -17 44  26 o 19.540  8.1965  120.229    292.601  514.182    440.013  -192.0792  391.775  28.006  10.590  17.941  8.3419  10.06446       13.48084  
1 1 1 -17 44  27 o 34.558  1.8143  654.286    67.671   657.879    68.551   516.955    423.792  34.649  1.8331  27.518  10.396  7.131447       10.55624  
1 1 1 -17 44  28 f 36.424  8.3795  897.784    323.696  490.632    473.045  1256.30    443.895  26.630  10.709  41.568  9.9845  -14.93819      14.64132  
1 1 1 -17 44  29 o 24.633  8.9824  415.616    311.301  440.604    460.124  394.523    422.740  25.461  10.441  24.620  10.042  0.8410034      14.48664  
1 1 1 -17 45  1  o 130.579 4.5953  9267.25    649.912  9270.02    952.826  9264.84    888.745  130.151 6.7827  130.357 6.2947  -0.2063293     9.253538  
1 1 1 -17 45  2  o 53.882  2.5863  1574.05    150.933  1661.55    365.428  1556.05    165.730  54.858  6.2624  53.489  2.8712  1.369511       6.889215  
1 1 1 -17 45  3  o 104.338 2.9356  5904.32    331.743  6126.81    376.414  5130.32    702.081  106.266 3.2704  96.722  6.7440  9.544281       7.495129  
1 1 1 -17 45  4  o 29.412  3.7975  477.433    118.149  591.831    126.286  -325.4650  334.562  32.823  3.6121  16.316  7.6270  16.50704       8.439096  
1 1 1 -17 45  5  o 171.875 3.7309  16039.41   694.540  16155.63   762.761  15475.51   1680.16  172.452 4.0837  167.456 9.3002  4.996292       10.15726  
1 1 1 -17 45  6  o 83.942  2.6854  3821.31    244.148  3759.63    276.440  4040.03    520.548  83.244  3.0661  85.924  5.6245  -2.680161      6.405879  
1 1 1 -17 45  7  o 205.465 3.9303  22936.55   874.653  22789.54   1007.71  23385.59   1761.19  204.693 4.5453  206.458 7.8760  -1.764771      9.093437  
1 1 1 -17 45  8  o 242.415 4.4425  31967.04   1166.43  32025.66   1345.28  31789.48   2341.22  242.459 5.1227  240.083 9.0035  2.376694       10.35885  
1 1 1 -17 45  9  o 266.268 6.2105  38768.06   1791.09  38331.09   1999.66  40541.08   4027.94  264.428 6.9820  266.804 13.987  -2.375977      15.63312  
1 1 1 -17 45  10 o 41.218  4.2292  934.256    186.130  890.018    225.201  1029.62    330.648  40.037  5.3253  42.686  7.4212  -2.648621      9.134165  
1 1 1 -17 45  11 o 113.681 2.9895  7018.40    368.095  7525.53    433.177  5700.75    698.240  117.668 3.3989  101.760 6.3672  15.90804       7.217564  
1 1 1 -17 45  12 o 109.041 3.0821  6460.52    364.007  6327.58    420.266  6859.75    728.288  107.849 3.5978  111.677 6.0435  -3.827988      7.033366  
1 1 1 -17 45  13 o 20.520  6.7048  223.856    171.476  249.698    198.359  147.430    341.122  21.766  7.2161  22.688  9.1043  -0.9223690     11.61721  
1 1 1 -17 45  14 o 48.233  3.4565  1272.69    179.374  1371.98    245.972  1159.90    262.147  49.903  4.6027  45.691  5.4017  4.211464       7.096675  
1 1 1 -17 45  15 f 140.789 3.2712  10788.88   498.831  11111.08   711.786  10477.90   699.287  142.522 4.6110  138.385 4.6655  4.136810       6.559597  
1 1 1 -17 45  16 o 112.012 3.0958  6829.71    375.589  7052.23    542.348  6624.63    520.643  113.522 4.4109  110.037 4.3685  3.484535       6.208032  
1 1 1 -17 45  17 o 25.606  6.8170  377.616    192.416  356.929    270.261  398.882    274.011  25.569  8.4204  26.686  8.4535  -1.116989      11.93167  
1 1 1 -17 45  18 o 45.417  4.2804  1140.32    208.074  1247.85    305.645  1047.45    284.060  47.046  6.1450  43.001  6.2846  4.045349       8.789628  
1 1 1 -17 45  19 o 35.279  1.4710  675.131    56.210   528.535    284.028  681.106    57.344   29.987  8.4064  35.434  1.4942  -5.447195      8.538182  
1 1 1 -17 45  20 o 31.831  5.9819  582.577    198.662  698.372    296.261  487.966    267.793  34.307  8.1023  28.779  8.1961  5.528524       11.52485  
1 1 1 -17 45  21 o 19.618  7.2342  181.154    202.727  180.085    305.417  181.997    271.049  21.918  8.6736  21.190  8.2345  0.7277966      11.95990  
1 1 1 -17 45  22 o 80.665  3.3822  3567.83    295.494  3936.43    460.444  3309.72    385.307  83.937  5.0887  77.148  4.6327  6.788864       6.881632  
1 1 1 -17 45  23 o 40.212  2.0841  883.023    90.458   661.359    370.317  897.089    93.283   32.523  9.7451  40.523  2.1328  -8.000774      9.975757  
1 1 1 -17 45  24 o 64.425  3.6152  2305.33    251.242  2502.02    533.981  2249.41    284.727  64.324  7.8257  63.376  4.1713  0.9489594      8.867964  
1 1 1 -17 45  25 o 37.139  6.2559  827.243    242.705  1183.09    448.225  679.626    288.689  41.697  10.044  32.522  8.1980  9.174351       12.96501  
1 1 1 -17 45  26 o 25.998  8.8878  435.856    300.803  440.485    437.851  431.719    413.953  26.689  10.440  26.396  10.199  0.2923965      14.59468  
1 1 1 -17 45  27 o 27.101  8.9568  497.271    305.688  441.534    447.482  546.040    418.580  26.267  10.466  27.937  10.376  -1.669966      14.73794  
1 1 1 -17 45  28 o 49.668  2.7824  1372.47    149.080  1326.88    156.964  1792.34    476.368  48.735  2.9881  51.226  8.9093  -2.491585      9.397026  
1 1 1 -17 45  29 o 18.879  8.1401  107.140    302.701  -202.5766  447.780  367.784    410.777  18.319  8.6442  24.147  9.8798  -5.828476      13.12756  
1 1 1 -17 46  1  o 141.187 5.1694  10848.45   790.497  12428.86   1117.93  9268.01    1117.94  150.843 6.8426  129.819 7.9896  21.02374       10.51921  
1 1 1 -17 46  2  o 111.172 3.1940  6705.75    384.596  6489.24    460.626  7204.08    698.837  109.313 3.8905  115.004 5.6104  -5.690895      6.827345  
1 1 1 -17 46  3  o 27.805  3.5632  426.528    104.842  416.823    110.749  510.289    325.367  27.442  3.8304  30.328  9.1451  -2.885876      9.914927  
1 1 1 -17 46  4  o 125.963 2.9636  8607.08    404.320  8242.84    460.429  9834.30    845.137  123.232 3.4496  134.322 5.8091  -11.09052      6.756149  
1 1 1 -17 46  5  o 43.802  3.0491  1045.97    143.751  1088.24    156.432  816.444    364.487  44.662  3.2563  37.779  9.0304  6.883133       9.599525  
1 1 1 -17 46  6  f 174.574 3.5636  16548.65   673.805  16490.93   774.993  16727.41   1363.84  174.193 4.1077  174.794 7.2039  -0.6017151     8.292706  
1 1 1 -17 46  7  o 168.452 3.5104  15409.68   640.474  15141.59   736.958  16237.15   1294.73  166.900 4.0768  172.227 6.9408  -5.326401      8.049511  
1 1 1 -17 46  8  o 131.079 3.0940  9326.53    439.266  9537.06    505.459  8676.93    887.880  132.504 3.5220  125.757 6.5411  6.746468       7.429038  
1 1 1 -17 46  9  o 66.277  3.4406  2392.84    246.131  2483.45    319.513  2260.61    386.002  67.401  4.4009  64.097  5.6167  3.303795       7.135540  
1 1 1 -17 46  10 o 100.049 3.3513  5438.96    363.156  5419.61    443.473  5478.34    632.729  99.788  4.1032  99.898  5.8736  -0.1106033     7.164869  
1 1 1 -17 46  11 o 28.307  5.6751  453.867    167.938  507.872    189.393  255.204    363.251  29.918  6.0526  25.194  9.5990  4.724613       11.34787  
1 1 1 -17 46  12 o 63.531  3.4414  2201.66    235.921  2216.44    273.709  2158.95    465.321  63.667  3.9894  62.205  7.0298  1.461475       8.082933  
1 1 1 -17 46  13 o 62.169  3.5483  2110.48    237.935  1984.62    279.416  2442.51    453.833  60.159  4.3169  66.320  6.3974  -6.160854      7.717664  
1 1 1 -17 46  14 o 105.905 3.0223  6098.40    346.672  5759.54    498.272  6416.33    482.638  102.675 4.4805  108.447 4.1090  -5.771713      6.079385  
1 1 1 -17 46  15 o 120.864 3.1658  7950.09    414.428  8042.54    592.440  7861.51    579.939  121.257 4.5109  119.897 4.4659  1.360641       6.347619  
1 1 1 -17 46  16 o 12.688  5.7271  -84.8494   167.145  -30.5246   240.088  -135.9420  232.836  16.533  7.1888  14.671  6.6765  1.862387       9.810916  
1 1 1 -17 46  17 o 68.476  3.5489  2565.55    262.304  2420.44    387.912  2687.79    356.041  66.038  5.4727  69.818  4.7363  -3.780029      7.237570  
1 1 1 -17 46  18 o 106.753 3.1624  6214.35    365.655  6208.73    526.490  6219.58    508.221  106.307 4.5726  106.453 4.4078  -0.1466141     6.351155  
1 1 1 -17 46  19 o 42.199  1.6217  966.396    74.124   723.395    292.867  983.028    76.619   35.053  7.9027  42.559  1.6622  -7.505398      8.075576  
1 1 1 -17 46  20 f 22.429  7.0771  283.150    192.192  281.692    294.674  284.229    253.541  23.875  8.7342  23.269  8.1492  0.6064682      11.94553  
1 1 1 -17 46  21 o 18.579  6.9886  152.518    191.048  271.608    287.955  58.876     255.341  23.433  8.6247  18.358  7.6758  5.074778       11.54567  
1 1 1 -17 46  22 o 50.511  4.5187  1424.13    244.600  1104.28    372.496  1666.59    324.319  42.913  8.3144  54.261  5.5989  -11.34734      10.02385  
1 1 1 -17 46  23 o 34.454  1.5237  644.930    56.860   700.207    81.152   591.625    79.692   35.787  2.1029  32.861  2.2527  2.926159       3.081670  
1 1 1 -17 46  24 o 31.099  6.4209  580.416    209.113  1129.73    425.383  405.370    240.131  41.618  9.6282  25.673  7.8806  15.94510       12.44211  
1 1 1 -17 46  25 o 36.485  6.3601  802.312    242.197  837.760    445.197  787.410    288.648  34.406  10.758  35.307  7.7597  -0.9015923     13.26482  
1 1 1 -17 46  26 o 34.366  8.4309  776.705    311.448  1099.84    452.919  486.845    428.964  39.263  10.462  27.341  10.428  11.92229       14.77114  
1 1 1 -17 46  27 o 22.381  8.6727  286.881    299.999  565.042    435.575  35.850     413.789  28.175  10.561  20.387  9.1220  7.787346       13.95529  
1 1 1 -17 46  28 o 22.537  8.7398  307.182    304.849  307.997    445.565  306.464    417.999  23.786  10.053  23.520  9.8263  0.2655697      14.05775  
1 1 1 -17 46  29 o 17.197  7.7133  -4.7904    297.783  167.210    442.738  -146.8789  402.404  21.790  9.6097  17.915  8.3712  3.874710       12.74452  
1 1 1 -17 47  1  o 39.970  1.9558  865.851    84.670   874.614    87.450   734.591    338.454  40.120  2.0189  35.854  8.7846  4.266609       9.013571  
1 1 1 -17 47  2  o 52.339  4.6867  1501.75    262.866  1496.39    356.826  1508.11    388.715  51.957  6.4818  52.049  7.0788  -0.9249115E-01 9.598072  
1 1 1 -17 47  3  o 244.081 4.3959  32388.61   1162.13  32340.40   1338.55  32536.21   2342.01  243.743 5.0703  243.185 8.8916  0.5579224      10.23564  
1 1 1 -17 47  4  f 144.670 3.3892  11361.29   531.057  11882.65   614.953  9831.99    1053.22  147.903 3.8388  133.816 7.2943  14.08704       8.242729  
1 1 1 -17 47  5  o 271.927 5.0046  40259.48   1473.97  41044.30   1699.36  37875.54   2961.77  274.341 5.7191  261.413 10.461  12.92755       11.92185  
1 1 1 -17 47  6  o 128.772 3.0118  8998.41    420.068  8833.03    481.327  9526.90    860.432  127.539 3.4844  132.098 6.0138  -4.559090      6.950328  
1 1 1 -17 47  7  o 111.684 2.9225  6768.94    353.518  6534.37    405.107  7518.00    723.917  109.691 3.4098  117.363 5.6949  -7.672295      6.637660  
1 1 1 -17 47  8  o 157.669 3.3108  13501.67   565.388  13045.36   650.376  14913.35   1143.95  154.900 3.8765  165.059 6.3988  -10.15909      7.481457  
1 1 1 -17 47  9  o 58.605  3.9262  1876.53    247.775  1966.95    317.975  1736.75    395.341  59.856  4.9491  55.895  6.6615  3.960972       8.298733  
1 1 1 -17 47  10 o 143.132 3.8317  11146.45   594.018  11402.66   698.933  10479.97   1127.26  144.648 4.4612  137.656 7.5900  6.992050       8.804003  
1 1 1 -17 47  11 o 50.960  3.6481  1420.03    200.025  1336.77    227.979  1698.44    416.899  49.339  4.3094  55.076  7.1579  -5.736942      8.355038  
1 1 1 -17 47  12 o 69.283  3.2893  2610.29    246.828  2436.34    286.658  3109.06    485.393  66.754  3.9829  75.018  6.0247  -8.264313      7.222247  
1 1 1 -17 47  13 o 52.834  2.1622  1514.65    123.732  1351.01    244.772  1570.81    143.404  49.519  4.6170  53.789  2.4615  -4.270573      5.232150  
1 1 1 -17 47  14 o 54.528  2.0486  1613.31    120.989  1284.73    285.979  1684.94    133.528  48.051  5.6000  55.717  2.2127  -7.665783      6.021273  
1 1 1 -17 47  15 o 90.168  3.0779  4424.48    300.592  3820.94    429.522  5003.81    420.815  83.375  4.7763  95.717  4.0591  -12.34178      6.268105  
1 1 1 -17 47  16 o 115.655 3.1728  7285.24    397.452  7086.33    576.935  7464.92    548.319  113.685 4.6855  116.785 4.3349  -3.100883      6.383167  
1 1 1 -17 47  17 o 137.051 3.3273  10242.91   493.912  9883.00    708.516  10583.16   688.891  134.090 4.8785  138.880 4.5797  -4.790268      6.691312  
1 1 1 -17 47  18 o 40.739  4.6481  923.931    201.422  964.746    294.359  887.993    276.213  41.019  6.8683  39.362  6.7200  1.657246       9.609001  
1 1 1 -17 47  19 f 26.948  2.2150  397.488    64.077   729.540    286.486  380.001    65.743   35.229  7.7212  26.329  2.3294  8.900080       8.064877  
1 1 1 -17 47  20 o 21.365  7.0306  250.562    188.421  208.410    280.427  285.255    254.404  21.998  8.4215  23.283  8.1626  -1.284330      11.72813  
1 1 1 -17 47  21 o 51.311  4.2615  1461.86    234.693  1583.22    360.953  1372.97    308.904  52.605  6.4716  49.158  5.9209  3.447060       8.771484  
1 1 1 -17 47  22 o 45.290  4.7734  1152.34    230.629  1569.70    361.420  865.650    299.543  52.188  6.5374  38.165  7.5139  14.02339       9.959714  
1 1 1 -17 47  23 f 31.922  1.7759  556.141    61.160   453.125    348.857  559.408    62.122   27.616  9.5654  32.013  1.7989  -4.396786      9.733094  
1 1 1 -17 47  24 o 23.185  7.0926  325.216    194.701  387.788    411.444  307.161    221.012  26.282  10.164  22.775  7.6192  3.506851       12.70299  
1 1 1 -17 47  25 o 50.180  6.2950  1501.48    334.605  1102.56    480.081  1878.34    466.613  39.343  10.894  54.635  8.1333  -15.29171      13.59507  
1 1 1 -17 47  26 o 31.811  8.7178  677.245    309.288  426.207    447.094  907.630    428.309  26.376  10.476  35.497  10.443  -9.121288      14.79206  
1 1 1 -17 47  27 o 29.192  2.1020  469.702    66.016   462.375    66.575   900.573    510.552  28.953  2.1381  33.609  11.576  -4.656013      11.77151  
1 1 1 -17 47  28 o 18.053  7.9226  52.669     297.576  -81.5916   437.831  167.934    405.677  19.272  8.9112  21.453  9.3363  -2.180536      12.90640  
1 1 1 -17 48  1  o 196.261 6.0351  21022.07   1282.89  21905.76   1614.77  19509.74   2112.44  199.938 7.4567  187.359 10.451  12.57857       12.83871  
1 1 1 -17 48  2  o 207.253 5.6677  23421.03   1272.27  22883.11   1794.72  23964.42   1803.84  204.131 8.1174  208.950 7.9705  -4.819244      11.37632  
1 1 1 -17 48  3  o 214.402 4.1103  24984.64   954.480  25646.04   1098.72  22950.04   1927.06  217.106 4.6725  204.198 8.7131  12.90828       9.886891  
1 1 1 -17 48  4  o 276.526 4.8702  41627.13   1458.65  40373.84   1680.86  45449.29   2935.35  272.069 5.7040  286.891 9.4466  -14.82187      11.03510  
1 1 1 -17 48  5  o 91.507  2.3941  4540.69    237.285  3963.63    288.054  5758.88    418.526  85.456  3.1121  102.955 3.7532  -17.49874      4.875669  
1 1 1 -17 48  6  o 16.834  2.2627  156.426    40.213   450.761    139.551  129.772    41.994   28.404  4.7005  15.250  2.6379  13.15380       5.390112  
1 1 1 -17 48  7  o 55.770  2.4411  1687.02    147.456  2262.80    213.774  1164.43    203.661  64.562  3.0571  46.086  4.1236  18.47543       5.133256  
1 1 1 -17 48  8  o 86.406  2.9469  4053.12    275.790  4259.48    318.440  3433.80    551.660  88.549  3.3203  78.899  6.5137  9.649986       7.311113  
1 1 1 -17 48  9  o 19.278  6.9509  171.643    185.658  196.403    249.231  140.775    278.285  21.473  8.0007  21.014  8.2910  0.4594917      11.52178  
1 1 1 -17 48  10 o 53.769  2.6295  1569.30    153.134  1971.55    268.522  1375.42    186.421  60.022  4.1560  50.178  3.4511  9.843586       5.402089  
1 1 1 -17 48  11 o 53.837  3.5974  1584.04    208.563  1468.07    239.026  1954.01    426.928  51.715  4.3065  59.206  6.7798  -7.490894      8.031885  
1 1 1 -17 48  12 f 107.575 2.7495  6285.94    320.363  5843.84    418.515  6911.59    497.870  103.593 3.7300  112.599 4.0824  -9.005722      5.529817  
1 1 1 -17 48  13 o 73.462  2.6921  2931.68    214.205  3389.58    370.879  2702.49    262.394  78.673  4.3697  70.463  3.4381  8.209969       5.560133  
1 1 1 -17 48  14 o 135.549 3.2795  10001.39   481.479  10225.37   675.365  9769.89    686.604  136.732 4.5603  133.598 4.7450  3.134338       6.581157  
1 1 1 -17 48  15 f 94.786  2.9119  4887.61    298.944  5193.26    455.534  4656.40    396.193  97.441  4.3163  92.339  3.9614  5.101738       5.858610  
1 1 1 -17 48  16 o 47.051  4.0974  1219.56    206.728  1101.50    297.696  1329.52    287.296  44.146  6.4137  48.818  5.5311  -4.671780      8.469253  
1 1 1 -17 48  17 o 139.760 3.3602  10656.48   508.646  10662.46   742.535  10651.18   698.181  139.212 4.9246  139.266 4.6286  -0.5374146E-01 6.758402  
1 1 1 -17 48  18 f 55.609  3.7434  1699.47    224.153  1551.95    332.230  1822.72    303.689  52.542  5.9425  57.298  4.9418  -4.756176      7.728808  
1 1 1 -17 48  19 o 7.0845  2.8873  10.180     34.911   426.150    272.012  3.2139     35.202   27.162  8.3956  6.7592  2.8395  20.40299       8.862822  
1 1 1 -17 48  20 o 26.492  7.1023  412.094    207.954  581.132    300.972  257.675    287.663  31.157  8.6250  23.173  8.6030  7.983835       12.18209  
1 1 1 -17 48  21 o 51.941  4.1451  1496.14    231.251  1458.16    345.827  1526.86    311.013  50.439  6.4801  51.979  5.6135  -1.539227      8.573381  
1 1 1 -17 48  22 o 38.613  5.6065  854.105    227.621  1162.61    350.574  629.266    299.285  44.284  7.5818  32.097  8.4814  12.18666       11.37617  
1 1 1 -17 48  23 o 49.354  4.4921  1371.49    237.501  1596.20    381.203  1228.93    303.632  51.983  6.9442  45.880  6.2747  6.103340       9.359137  
1 1 1 -17 48  24 o 28.002  7.4432  489.611    229.623  159.959    420.495  629.683    274.100  22.806  9.7080  31.507  8.0134  -8.701284      12.58813  
1 1 1 -17 48  25 o 28.154  8.8260  518.290    299.419  544.194    430.277  493.970    416.924  28.666  10.544  27.720  10.344  0.9458790      14.77073  
1 1 1 -17 48  26 o 3.3095  1.6687  -89.7503   27.914   -91.6401   27.984   287.726    395.494  3.2897  1.6603  23.713  9.6973  -20.42339      9.838405  
1 1 1 -17 48  27 o 24.353  8.8805  383.961    304.283  -31.3203   440.953  761.475    420.424  20.074  9.1558  31.836  10.503  -11.76131      13.93361  
1 1 1 -17 48  28 o 27.006  9.0507  515.205    311.866  198.372    453.694  799.011    429.398  22.435  9.8156  31.967  10.618  -9.532631      14.45985  
1 1 1 -17 49  1  o 16.624  6.7691  58.253     191.674  113.494    258.161  -9.6045    286.127  19.952  7.9495  18.605  7.9660  1.346788       11.25401  
1 1 1 -17 49  2  o 292.907 7.4401  47050.63   2360.35  47875.63   3336.00  46223.61   3340.07  293.656 10.489  288.406 10.693  5.249969       14.97804  
1 1 1 -17 49  3  o 159.991 3.4498  13900.49   597.799  13691.65   660.246  14850.49   1408.19  158.733 3.8403  164.408 7.9080  -5.675552      8.791154  
1 1 1 -17 49  4  o 71.016  2.7344  2736.08    210.322  2784.03    234.263  2536.80    477.576  71.622  3.0199  67.783  6.5884  3.839294       7.247485  
1 1 1 -17 49  5  o 86.720  2.6583  4079.77    249.687  3948.30    280.894  4574.81    545.052  85.288  3.0408  91.400  5.5319  -6.112473      6.312514  
1 1 1 -17 49  6  o 53.980  3.0379  1586.77    176.891  1648.55    199.355  1358.06    383.576  54.990  3.3633  49.196  7.4303  5.794312       8.156019  
1 1 1 -17 49  7  o 33.128  4.1236  606.240    144.755  549.577    162.852  819.528    315.958  31.374  4.9571  37.884  7.9535  -6.510038      9.371850  
1 1 1 -17 49  8  o 115.157 2.9628  7200.57    369.539  7330.82    425.100  6797.70    747.618  116.147 3.3792  111.219 6.2313  4.928391       7.088618  
1 1 1 -17 49  9  o 80.742  3.6026  3545.52    315.056  3501.44    385.103  3634.75    547.865  80.027  4.4607  81.170  6.2806  -1.143372      7.703440  
1 1 1 -17 49  10 o 69.622  3.3600  2635.42    253.366  2464.01    298.556  3076.58    478.972  67.128  4.1263  74.676  5.9719  -7.547951      7.258775  
1 1 1 -17 49  11 f 103.226 3.1166  5792.00    348.451  5874.82    403.586  5549.47    690.632  103.899 3.5864  100.254 6.3936  3.644638       7.330728  
1 1 1 -17 49  12 o 36.482  1.5660  721.491    61.878   478.311    216.913  743.033    64.561   28.866  7.0083  37.021  1.6101  -8.155750      7.190850  
1 1 1 -17 49  13 o 85.653  2.7622  3986.74    256.250  4087.58    412.816  3923.53    326.842  86.388  4.4268  84.876  3.5553  1.511726       5.677801  
1 1 1 -17 49  14 o 137.866 3.3310  10350.54   497.398  10673.55   707.596  10035.04   699.331  139.625 4.6790  135.356 4.7702  4.269653       6.681877  
1 1 1 -17 49  15 f 195.528 4.1502  20900.23   878.925  20557.41   1181.90  21324.38   1314.65  193.146 5.6497  196.383 6.1807  -3.236984      8.373739  
1 1 1 -17 49  16 o 50.067  3.8012  1377.03    204.589  1450.69    305.200  1316.91    275.709  50.981  5.6207  48.623  5.3222  2.357830       7.740646  
1 1 1 -17 49  17 o 123.176 3.1907  8273.62    425.677  8317.95    617.574  8233.49    587.544  123.036 4.6343  122.487 4.4287  0.5495605      6.410195  
1 1 1 -17 49  18 o 33.838  5.5619  650.274    196.762  537.280    286.330  751.376    270.844  30.207  8.4307  35.954  7.2061  -5.747065      11.09070  
1 1 1 -17 49  19 o 37.220  5.2107  781.494    204.300  736.441    306.764  817.404    273.875  35.222  8.1954  37.530  6.9949  -2.308167      10.77466  
1 1 1 -17 49  20 o 55.635  3.8727  1708.58    231.905  1577.04    341.036  1821.73    316.288  52.708  6.0856  57.042  5.1757  -4.333973      7.988919  
1 1 1 -17 49  21 o 23.141  7.3958  304.632    209.374  164.332    305.822  428.406    287.248  21.561  8.6315  27.088  8.6632  -5.527016      12.22922  
1 1 1 -17 49  22 o 35.609  6.3706  741.311    236.685  734.100    345.056  747.719    325.267  34.373  9.1184  34.856  8.6553  -0.4833565     12.57221  
1 1 1 -17 49  23 o 53.722  4.5313  1627.40    261.204  1521.77    389.665  1713.60    351.996  50.371  7.3594  54.299  6.0901  -3.927998      9.552496  
1 1 1 -17 49  24 o 38.247  6.3784  876.997    254.922  725.807    436.211  955.412    314.150  32.411  10.699  39.152  7.6826  -6.741291      13.17148  
1 1 1 -17 49  25 o 37.588  1.7030  770.311    69.333   782.054    70.294   349.809    420.637  37.872  1.7137  25.244  10.117  12.62784       10.26101  
1 1 1 -17 49  26 o 16.210  7.3772  -84.6853   284.344  -98.7893   410.475  -71.6736   394.260  19.074  8.7497  19.013  8.6661  0.6104469E-01  12.31499  
1 1 1 -17 49  27 o 20.110  8.3287  173.548    296.589  206.202    430.659  144.089    409.054  22.533  9.7124  21.454  9.3551  1.078426       13.48516  
1 1 1 -17 49  28 o 14.381  6.8367  -246.7916  290.133  -635.1759  423.204  97.618     398.526  15.023  7.3933  20.513  9.0783  -5.489675      11.70795  
1 1 1 -17 50  1  o 138.727 4.7714  10481.15   716.933  10414.80   958.885  10565.27   1079.61  137.973 6.4165  138.601 7.2166  -0.6273804     9.656693  
1 1 1 -17 50  2  o 100.708 3.9261  5513.42    428.251  5669.25    571.211  5313.39    647.150  101.845 5.1955  98.415  6.1012  3.430069       8.013659  
1 1 1 -17 50  3  o 45.640  2.8868  1134.91    141.967  1198.61    154.080  776.887    365.289  46.892  3.0503  36.779  9.1947  10.11340       9.687467  
1 1 1 -17 50  4  o 97.217  2.7008  5127.92    284.389  5109.18    321.392  5195.53    610.480  97.014  3.0587  97.355  5.8161  -0.3414764     6.571345  
1 1 1 -17 50  5  o 106.200 2.9372  6121.97    337.858  6278.77    385.959  5607.88    698.848  107.517 3.3143  101.006 6.4213  6.511139       7.226224  
1 1 1 -17 50  6  o 237.352 4.4669  30679.57   1148.34  31505.12   1324.49  28180.33   2304.51  240.325 5.0884  225.315 9.4432  15.01042       10.72685  
1 1 1 -17 50  7  f 281.656 4.9325  43274.54   1504.72  42334.97   1735.82  46115.18   3018.21  278.216 5.7604  287.798 9.6826  -9.582214      11.26652  
1 1 1 -17 50  8  o 166.039 3.4858  14988.28   626.875  14842.37   720.198  15444.42   1273.34  165.122 4.0270  167.557 7.0163  -2.435501      8.089830  
1 1 1 -17 50  9  o 73.575  3.5997  2944.60    286.859  2578.40    345.935  3750.69    513.247  68.587  4.6848  82.556  5.7764  -13.96845      7.437288  
1 1 1 -17 50  10 f 48.761  4.0235  1303.97    210.597  1379.60    244.728  1088.12    413.427  50.078  4.5620  43.409  9.0849  6.669540       10.16602  
1 1 1 -17 50  11 o 56.965  2.9754  1768.25    182.942  1924.73    245.392  1572.47    274.483  59.321  3.8399  53.433  4.7938  5.887768       6.142045  
1 1 1 -17 50  12 o 139.674 3.2906  10613.82   497.803  10754.49   692.297  10463.21   716.319  140.301 4.5557  138.327 4.7811  1.974533       6.604081  
1 1 1 -17 50  13 o 92.642  3.0257  4667.85    303.599  4754.61    430.504  4582.02    428.214  93.303  4.2600  91.583  4.3169  1.719505       6.064946  
1 1 1 -17 50  14 o 32.282  5.0038  584.639    169.293  692.645    246.655  488.442    232.779  34.783  6.7908  29.070  7.3800  5.713310       10.02897  
1 1 1 -17 50  15 o 57.478  2.2709  1794.37    141.376  1416.00    306.620  1896.53    159.323  50.364  5.7225  59.074  2.4900  -8.710224      6.240798  
1 1 1 -17 50  16 o 114.300 3.1466  7118.97    389.547  7004.02    564.255  7223.65    538.456  112.975 4.6113  114.822 4.3297  -1.847023      6.325381  
1 1 1 -17 50  17 o 111.908 3.2114  6831.52    389.251  6187.30    576.410  7371.59    527.768  105.949 5.0230  115.950 4.2025  -10.00090      6.549159  
1 1 1 -17 50  18 o 18.030  6.8213  136.697    182.627  464.155    267.690  -148.4269  249.787  28.195  8.2445  15.054  6.8758  13.14056       10.73538  
1 1 1 -17 50  19 o 54.018  3.8590  1609.08    224.293  1723.71    329.557  1510.16    306.134  55.398  5.5679  51.829  5.5391  3.568466       7.853861  
1 1 1 -17 50  20 o 35.585  5.4912  721.129    204.832  1063.94    314.577  468.807    269.884  42.807  7.0288  28.149  8.2917  14.65825       10.87001  
1 1 1 -17 50  21 o 42.349  4.7650  1007.61    214.763  1070.96    324.309  958.134    286.614  42.720  7.2694  40.566  6.7612  2.154140       9.927636  
1 1 1 -17 50  22 o 39.219  5.7448  886.585    236.797  1024.65    370.813  791.512    307.710  40.816  8.6562  36.027  8.0844  4.789173       11.84432  
1 1 1 -17 50  23 f 21.441  7.6063  254.637    221.448  288.585    341.503  230.005    290.898  23.863  9.2514  21.953  8.5309  1.909582       12.58429  
1 1 1 -17 50  24 f 8.0219  2.4878  35.173     23.861   331.997    398.101  34.103     23.904   24.965  9.8954  7.9285  2.4951  17.03661       10.20512  
1 1 1 -17 50  25 o 44.037  7.1501  1196.88    329.335  1391.07    465.938  1002.99    465.564  45.244  9.7922  37.239  10.868  8.005623       14.62885  
1 1 1 -17 50  26 o 30.957  8.9160  654.639    315.202  428.714    446.056  879.971    445.469  26.149  10.440  34.347  10.765  -8.198399      14.99584  
1 1 1 -17 50  27 f 33.325  8.7357  766.098    319.153  576.927    461.015  940.198    442.271  28.066  10.785  35.044  10.684  -6.977718      15.18087  
1 1 1 -17 50  28 o 18.627  8.0582  89.189     298.632  -84.0726   435.086  243.522    410.633  19.221  8.8860  22.532  9.5925  -3.311050      13.07582  
1 1 1 -17 51  1  o 111.002 4.1988  6704.29    504.809  6755.77    710.248  6651.74    717.624  111.015 5.9283  110.129 6.0393  0.8855591      8.462746  
1 1 1 -17 51  2  o 137.278 4.7515  10267.36   706.476  10160.51   1054.04  10354.50   951.952  135.855 7.1889  137.525 6.3909  -1.670563      9.618925  
1 1 1 -17 51  3  o 195.679 3.6063  20809.11   764.324  20476.38   879.456  21836.20   1545.16  193.990 4.1857  199.428 7.1535  -5.436996      8.288058  
1 1 1 -17 51  4  o 137.385 3.1157  10249.08   463.629  10120.22   521.141  10738.16   1015.27  136.468 3.5258  139.949 6.6979  -3.481277      7.569227  
1 1 1 -17 51  5  o 84.014  2.5954  3829.81    236.169  4019.37    291.469  3467.44    402.981  86.030  3.1280  79.631  4.6931  6.399559       5.639991  
1 1 1 -17 51  6  o 119.063 3.0703  7698.87    395.934  7877.00    452.280  7114.59    819.117  120.385 3.4687  113.666 6.6828  6.719147       7.529398  
1 1 1 -17 51  7  o 12.818  5.4382  3.4171     131.178  -8.9211    141.551  78.467     349.110  13.022  5.5899  21.809  9.0345  -8.786945      10.62397  
1 1 1 -17 51  8  o 96.188  2.9346  5025.10    305.730  4730.37    347.711  6029.35    641.840  93.274  3.4418  104.799 5.6757  -11.52443      6.637777  
1 1 1 -17 51  9  o 35.873  1.6980  697.618    65.974   547.398    259.347  708.012    68.218   30.867  7.7644  36.138  1.7429  -5.270382      7.957618  
1 1 1 -17 51  10 o 113.838 3.4942  7051.06    430.832  7112.47    521.363  6918.83    765.040  114.211 4.2147  111.998 6.3327  2.213333       7.606973  
1 1 1 -17 51  11 o 21.197  1.6391  245.047    37.339   260.618    182.402  244.366    38.146   21.851  6.8945  21.164  1.6779  0.6867714      7.095715  
1 1 1 -17 51  12 o 22.906  6.3942  297.705    164.692  362.325    236.585  236.951    229.401  25.474  7.8226  21.946  7.7463  3.528244       11.00900  
1 1 1 -17 51  13 o 26.200  5.8985  392.689    163.350  443.048    223.804  335.277    238.964  27.741  7.3361  24.708  7.9016  3.033104       10.78209  
1 1 1 -17 51  14 o 13.379  5.7213  -2.6035    147.257  137.803    213.126  -130.8641  203.699  19.023  7.3272  13.575  6.2036  5.448805       9.600590  
1 1 1 -17 51  15 o 23.064  6.4277  303.750    166.567  603.194    249.246  62.092     223.909  32.265  7.3024  17.660  7.2678  14.60553       10.30271  
1 1 1 -17 51  16 o 156.109 3.4622  13301.04   585.393  13340.44   845.828  13264.82   811.012  155.675 5.0164  155.330 4.8206  0.3455811      6.957200  
1 1 1 -17 51  17 o 83.155  3.2214  3773.28    290.137  3448.36    420.891  4067.48    400.499  78.944  4.9475  86.083  4.2955  -7.139709      6.551979  
1 1 1 -17 51  18 o 107.212 3.0530  6272.47    354.516  5994.10    536.925  6487.62    472.041  104.244 4.7555  108.737 4.0080  -4.493782      6.219224  
1 1 1 -17 51  19 o 32.883  5.9820  621.925    205.202  648.342    300.979  598.980    280.502  32.924  8.4099  31.709  8.1292  1.214588       11.69659  
1 1 1 -17 51  20 o 47.190  4.2760  1237.67    216.183  1302.42    323.226  1185.25    290.796  47.687  6.4213  45.602  6.0359  2.084980       8.812779  
1 1 1 -17 51  21 o 63.324  3.7146  2214.37    253.654  2299.67    390.352  2152.02    333.712  63.712  5.7176  61.933  5.0180  1.779324       7.607288  
1 1 1 -17 51  22 o 74.333  3.6586  3052.20    294.559  3016.62    438.025  3081.57    397.985  72.763  5.6011  73.914  5.0007  -1.151833      7.508596  
1 1 1 -17 51  23 o 26.070  7.5902  420.623    227.325  660.750    345.313  236.964    301.995  31.788  9.3836  22.183  8.6720  9.604681       12.77711  
1 1 1 -17 51  24 o 28.553  8.8899  530.532    304.355  660.192    419.623  386.607    442.103  31.057  10.498  26.239  10.419  4.817713       14.79082  
1 1 1 -17 51  25 o 26.744  9.3226  466.855    331.622  457.822    426.132  480.727    528.060  26.911  10.362  27.831  11.271  -0.9200077     15.31034  
1 1 1 -17 51  26 o 32.804  8.9073  736.209    324.636  913.453    466.954  570.399    451.639  34.648  11.042  28.395  10.731  6.253714       15.39711  
1 1 1 -17 51  27 o 15.591  7.2735  -162.9964  301.876  -156.4534  440.108  -168.8098  414.845  18.774  8.7667  18.170  8.4935  0.6041183      12.20633  
1 1 1 -17 51  28 o 18.380  8.0401  64.120     304.298  -605.1060  454.443  608.083    409.711  15.873  7.7811  28.459  10.316  -12.58671      12.92144  
1 1 1 -17 52  1  o 145.027 4.8229  11466.37   757.570  12259.40   1015.95  10473.17   1136.96  149.616 6.2694  137.710 7.6529  11.90587       9.893031  
1 1 1 -17 52  2  o 57.356  2.6532  1785.14    164.821  1808.57    181.240  1673.15    396.292  57.646  2.9122  54.814  6.8226  2.831699       7.418175  
1 1 1 -17 52  3  o 70.992  3.3188  2738.07    255.185  2939.73    305.741  2274.99    463.311  73.419  3.8583  64.045  6.7823  9.374176       7.802999  
1 1 1 -17 52  4  o 40.420  3.1284  892.613    135.892  878.848    148.196  965.337    340.630  40.067  3.4485  41.175  7.9256  -1.108540      8.643301  
1 1 1 -17 52  5  o 157.287 3.2446  13440.87   552.738  13540.53   633.444  13122.83   1131.62  157.791 3.7064  154.584 6.7587  3.206741       7.708282  
1 1 1 -17 52  6  o 140.794 3.1050  10768.38   473.497  10399.91   541.402  11967.08   976.506  138.289 3.6146  147.775 6.1011  -9.485626      7.091422  
1 1 1 -17 52  7  o 223.070 4.3712  27120.41   1056.13  25896.97   1146.88  33945.66   2708.86  217.816 4.8614  246.138 10.161  -28.32176      11.26411  
1 1 1 -17 52  8  o 42.050  3.6935  969.499    166.514  873.382    183.570  1415.82    395.569  39.797  4.3286  50.110  7.5205  -10.31347      8.677214  
1 1 1 -17 52  9  o 45.165  4.8104  1126.59    231.696  966.057    283.073  1452.45    403.298  41.427  6.5247  50.723  7.5729  -9.296497      9.995971  
1 1 1 -17 52  10 o 118.400 3.0445  7619.83    390.427  7263.34    447.663  8752.65    798.016  115.517 3.5780  126.278 5.8346  -10.76155      6.844310  
1 1 1 -17 52  11 o 65.229  2.5430  2310.58    179.661  2407.54    326.322  2268.41    215.216  66.225  4.5775  64.589  3.0764  1.635681       5.515216  
1 1 1 -17 52  12 o 14.552  5.9000  49.465     144.869  139.581    193.992  -64.1528   217.825  18.565  7.0287  15.191  6.7178  3.374044       9.722730  
1 1 1 -17 52  13 o 44.807  3.8732  1103.64    186.123  1142.21    258.302  1061.98    268.424  45.288  5.3706  43.536  5.8397  1.751915       7.933871  
1 1 1 -17 52  14 o 32.267  4.9488  584.105    167.434  437.489    242.434  717.815    231.518  27.576  7.7792  35.537  6.2428  -7.960844      9.974429  
1 1 1 -17 52  15 o 34.249  4.8464  656.442    174.762  698.953    255.724  619.188    239.387  34.828  7.0215  32.752  6.9627  2.076416       9.888458  
1 1 1 -17 52  16 o 56.793  2.2719  1752.90    139.750  1559.32    318.485  1799.06    155.522  52.806  5.6565  57.515  2.4965  -4.709164      6.182897  
1 1 1 -17 52  17 o 119.640 3.2102  7812.81    415.990  7237.81    599.092  8348.15    578.067  114.589 4.8270  123.277 4.3294  -8.687439      6.484130  
1 1 1 -17 52  18 o 46.474  2.3573  1178.13    118.270  1335.53    331.082  1155.11    126.625  48.427  6.4743  45.987  2.5522  2.439114       6.959190  
1 1 1 -17 52  19 o 48.902  3.9641  1322.59    208.158  1644.94    318.102  1081.20    275.279  54.085  5.5070  43.583  5.9900  10.50267       8.136775  
1 1 1 -17 52  20 f 61.934  3.7701  2115.56    251.702  2092.40    361.536  2137.34    350.635  60.965  5.5355  61.719  5.2966  -0.7534561     7.661347  
1 1 1 -17 52  21 f 44.063  4.8085  1093.31    225.757  870.870    324.473  1302.02    314.307  37.956  8.1372  47.541  6.2560  -9.585018      10.26407  
1 1 1 -17 52  22 o 32.347  7.3064  635.466    249.940  999.310    379.799  357.523    331.951  39.813  9.0169  25.320  9.2691  14.49243       12.93139  
1 1 1 -17 52  23 o 25.912  8.2670  418.412    261.699  453.961    434.874  398.229    327.672  27.526  10.499  25.709  9.2383  1.817057       13.98500  
1 1 1 -17 52  24 o 40.367  7.9125  1026.55    333.577  692.429    473.722  1355.17    469.799  31.484  11.130  44.809  9.9401  -13.32557      14.92229  
1 1 1 -17 52  25 o 40.586  8.0615  1057.67    341.882  984.319    487.982  1128.39    479.126  36.347  11.247  39.385  10.874  -3.037712      15.64412  
1 1 1 -17 52  26 o 33.872  8.9954  789.519    335.570  758.492    482.681  818.544    466.851  31.480  11.223  32.710  11.073  -1.229988      15.76601  
1 1 1 -17 52  27 o 24.502  9.1158  395.498    323.312  325.373    474.579  456.231    441.658  24.368  10.341  26.007  10.386  -1.638481      14.65677  
1 1 1 -17 53  1  o 86.407  4.5403  4080.02    423.430  4349.06    570.088  3748.97    632.388  88.937  5.9526  82.256  7.1699  6.681290       9.318794  
1 1 1 -17 53  2  o 137.618 4.9005  10332.15   730.447  10286.02   1060.38  10373.80   1007.65  136.553 7.1949  137.439 6.7691  -0.8854065     9.878615  
1 1 1 -17 53  3  f 184.305 3.5124  18466.20   701.157  17530.29   801.037  21532.76   1449.99  179.445 4.1215  198.001 6.7612  -18.55618      7.918375  
1 1 1 -17 53  4  o 61.122  2.8191  2028.25    186.627  1975.68    201.944  2335.90    488.522  60.229  3.1063  64.799  7.0756  -4.569740      7.727452  
1 1 1 -17 53  5  o 178.611 3.4196  17342.29   661.539  16365.04   758.891  20435.04   1350.06  173.375 4.0413  192.947 6.4602  -19.57181      7.620096  
1 1 1 -17 53  6  o 21.398  5.4945  259.956    128.003  264.811    137.322  227.786    353.499  21.616  5.7609  24.472  9.4334  -2.855127      11.05338  
1 1 1 -17 53  7  o 51.747  3.2662  1461.36    182.122  1348.81    201.666  1959.04    424.074  49.639  3.7793  59.313  6.7198  -9.673447      7.709637  
1 1 1 -17 53  8  o 113.990 3.0020  7060.38    370.639  7395.38    428.519  6065.47    738.483  116.609 3.3929  104.806 6.5382  11.80270       7.366076  
1 1 1 -17 53  9  o 195.982 4.4900  20963.97   953.076  20148.74   1165.27  22611.43   1656.50  191.713 5.6118  202.090 7.5679  -10.37677      9.421578  
1 1 1 -17 53  10 o 57.591  2.0059  1799.18    125.122  1458.11    226.603  1948.77    150.075  51.552  4.0920  59.921  2.3124  -8.369564      4.700195  
1 1 1 -17 53  11 f 14.089  5.8780  23.385     149.277  130.167    212.143  -81.3410   210.091  18.859  7.2972  14.615  6.5223  4.244514       9.787185  
1 1 1 -17 53  12 o 63.215  3.1940  2180.46    217.982  2289.32    320.582  2086.84    297.281  64.520  4.6180  61.613  4.4856  2.906754       6.437900  
1 1 1 -17 53  13 o 17.914  6.5455  145.628    165.426  404.052    238.559  -93.7421   229.596  26.618  7.7829  15.161  6.7885  11.45668       10.32749  
1 1 1 -17 53  14 o 18.830  6.5118  179.242    161.641  60.255     221.484  314.839    236.439  17.549  7.2259  24.058  7.8736  -6.509695      10.68682  
1 1 1 -17 53  15 o 70.108  3.1674  2678.73    240.513  2574.28    350.953  2771.24    330.263  68.293  4.7747  70.989  4.3158  -2.696136      6.436121  
1 1 1 -17 53  16 o 51.654  2.3550  1450.61    131.756  1608.97    309.432  1415.54    145.616  53.706  5.3923  50.932  2.6488  2.774292       6.007759  
1 1 1 -17 53  17 o 48.568  3.9834  1301.70    207.697  860.251    322.820  1613.50    271.306  38.249  8.0472  53.925  4.6919  -15.67588      9.315116  
1 1 1 -17 53  18 o 14.007  1.7418  108.165    25.855   -283.9515  252.862  112.308    25.991   13.572  6.4316  14.281  1.7147  -0.7089462     6.656219  
1 1 1 -17 53  19 o 47.820  4.2025  1268.68    215.456  1018.13    346.619  1426.45    275.049  41.500  8.0014  50.454  5.1034  -8.953197      9.490350  
1 1 1 -17 53  20 o 19.027  6.8647  178.792    181.121  270.571    276.063  109.428    239.994  23.143  8.4558  18.850  7.6108  4.293745       11.37651  
1 1 1 -17 53  21 o 47.647  4.3437  1269.85    221.704  1109.42    332.398  1398.42    297.561  43.255  7.3586  49.497  5.6518  -6.242188      9.278555  
1 1 1 -17 53  22 o 53.757  4.4909  1629.11    259.089  1725.49    396.359  1557.21    342.357  53.927  6.9476  51.623  6.2504  2.303989       9.345421  
1 1 1 -17 53  23 o 17.698  7.4146  77.629     238.942  91.696     417.571  70.780     291.357  21.866  9.4939  18.914  8.0667  2.952131       12.45820  
1 1 1 -17 53  24 o 20.429  8.4578  151.644    305.696  474.701    435.696  -161.5893  429.020  27.509  10.505  19.161  8.8461  8.348175       13.73367  
1 1 1 -17 53  25 o 35.116  8.7817  824.884    333.134  831.423    475.998  818.606    466.395  33.378  11.182  33.217  11.068  0.1618462      15.73265  
1 1 1 -17 53  26 o 12.482  2.5310  88.892     33.046   88.053     33.139   238.863    442.882  12.418  2.5492  23.243  9.9303  -10.82517      10.25224  
1 1 1 -17 53  27 o 24.406  9.1694  388.508    328.698  337.691    476.563  434.618    453.958  24.580  10.393  25.770  10.446  -1.190100      14.73527  
1 1 1 -17 54  1  o 174.100 6.4393  16636.96   1214.24  17086.79   1717.15  16187.09   1717.24  175.067 9.0872  170.242 9.3489  4.825729       13.03759  
1 1 1 -17 54  2  o 132.511 4.7926  9580.35    687.848  8731.40    972.693  10429.54   972.834  125.733 7.1723  137.826 6.5169  -12.09292      9.690819  
1 1 1 -17 54  3  o 24.237  4.6054  330.802    116.476  338.763    120.632  221.207    447.601  24.516  4.7142  26.371  10.480  -1.854374      11.49137  
1 1 1 -17 54  4  o 72.314  2.2912  2836.89    179.459  2507.82    244.406  3221.87    264.352  67.925  3.3221  77.003  3.1696  -9.077904      4.591579  
1 1 1 -17 54  5  o 97.832  2.7571  5196.71    292.146  5339.93    351.057  4874.12    526.872  99.118  3.2700  94.299  5.1784  4.819038       6.124439  
1 1 1 -17 54  6  o 103.799 2.8378  5851.48    319.044  5806.06    362.013  6009.44    675.155  103.351 3.2340  104.512 5.9894  -1.160553      6.806723  
1 1 1 -17 54  7  o 83.734  2.8678  3808.63    260.088  3873.07    293.295  3571.42    562.731  84.408  3.2081  80.325  6.5245  4.082672       7.270611  
1 1 1 -17 54  8  o 22.428  5.6656  286.401    137.673  230.627    149.305  603.083    355.770  20.426  6.2030  32.475  9.5070  -12.04924      11.35172  
1 1 1 -17 54  9  o 63.019  3.9547  2172.69    268.561  2293.79    328.160  1927.09    467.331  64.622  4.7212  58.532  7.5474  6.090328       8.902402  
1 1 1 -17 54  10 o 59.815  2.1107  1941.36    136.743  1850.48    236.604  1986.94    167.561  58.155  3.7768  60.486  2.5577  -2.331490      4.561378  
1 1 1 -17 54  11 o 96.601  2.9653  5074.62    310.256  5301.51    441.351  4852.97    436.231  98.545  4.1350  94.259  4.2729  4.286400       5.946107  
1 1 1 -17 54  12 o 76.104  2.9850  3150.81    246.044  3050.27    351.331  3247.57    344.683  74.563  4.3694  76.992  4.1487  -2.429375      6.025198  
1 1 1 -17 54  13 o 41.982  4.0931  972.071    183.750  1134.17    253.840  793.625    266.332  45.125  5.2942  37.260  6.8520  7.865536       8.659048  
1 1 1 -17 54  14 o 27.828  5.8656  443.368    171.223  630.357    237.714  241.757    246.833  33.083  6.8591  22.312  8.0181  10.77143       10.55166  
1 1 1 -17 54  15 o 49.623  3.9139  1355.16    208.654  1423.00    303.608  1294.43    287.236  50.435  5.6553  48.084  5.6214  2.350742       7.973841  
1 1 1 -17 54  16 o 72.805  2.4892  2883.68    196.286  2218.06    358.011  3169.76    234.707  63.143  5.2833  76.279  2.8409  -13.13525      5.998683  
1 1 1 -17 54  17 o 55.780  3.5894  1709.42    215.702  1783.68    326.499  1651.90    287.336  56.486  5.4026  54.488  4.9219  1.998058       7.308470  
1 1 1 -17 54  18 o 23.009  6.8754  303.784    184.520  389.794    270.461  228.892    252.378  26.137  8.4112  21.889  8.0716  4.247562       11.65761  
1 1 1 -17 54  19 o 16.708  6.5230  102.567    170.692  116.522    264.457  92.602     223.474  19.714  7.9790  18.086  7.3296  1.628193       10.83458  
1 1 1 -17 54  20 o 12.935  5.8143  -70.2951   170.181  25.415     267.263  -135.5660  220.708  18.054  7.7136  14.013  6.4236  4.041024       10.03807  
1 1 1 -17 54  21 o 45.135  4.5212  1145.88    218.051  961.200    325.758  1295.79    293.499  39.864  7.8241  47.466  5.8316  -7.602116      9.758288  
1 1 1 -17 54  22 o 19.695  7.5195  184.229    223.200  -72.6725   345.898  367.516    292.166  18.447  8.2907  24.937  8.7472  -6.490353      12.05194  
1 1 1 -17 54  23 o 24.631  8.9242  358.793    306.573  107.789    433.691  609.494    433.429  22.340  9.6876  30.212  10.649  -7.871679      14.39659  
1 1 1 -17 54  24 o 20.780  8.7369  143.756    333.695  -156.3068  433.854  578.384    522.152  19.255  8.8917  29.401  11.428  -10.14591      14.47979  
1 1 1 -17 54  25 o 27.149  9.2117  493.818    323.105  115.046    460.375  861.493    453.581  22.266  9.8104  34.069  10.885  -11.80307      14.65374  
1 1 1 -17 54  26 o 17.925  7.9896  1.4594     314.209  579.773    452.299  -537.9506  436.821  28.317  10.730  16.047  7.8149  12.26966       13.27403  
1 1 1 -17 54  27 o 25.495  9.6323  438.964    363.838  314.633    482.146  603.409    554.495  24.328  10.376  28.380  11.530  -4.052731      15.51165  
1 1 1 -17 55  1  o 58.974  2.7765  1888.48    177.350  1950.15    189.716  1461.14    499.402  59.921  2.9232  50.408  9.4953  9.512436       9.935120  
1 1 1 -17 55  2  o 174.343 5.5239  16633.14   1043.08  14962.79   1631.75  17787.33   1356.40  163.599 9.2467  179.740 6.9674  -16.14165      11.57782  
1 1 1 -17 55  3  o 55.852  1.9879  1691.65    120.255  1690.53    123.939  1709.61    496.876  55.831  2.0496  54.867  8.6475  0.9639702      8.887046  
1 1 1 -17 55  4  o 231.551 4.2008  29216.07   1053.53  28361.69   1210.43  31885.84   2139.68  227.885 4.9040  239.803 8.2380  -11.91774      9.587205  
1 1 1 -17 55  5  o 115.364 3.0067  7230.98    375.694  7278.83    429.751  7075.86    773.764  115.689 3.4297  113.321 6.3295  2.367760       7.198946  
1 1 1 -17 55  6  o 48.287  2.0684  1264.69    108.177  1141.51    212.778  1307.63    125.624  45.546  4.3668  49.088  2.3628  -3.541973      4.965089  
1 1 1 -17 55  7  o 96.294  3.0016  5038.91    313.053  5301.65    357.833  4181.81    646.297  98.731  3.3462  86.817  6.9310  11.91454       7.696460  
1 1 1 -17 55  8  o 48.411  3.4180  1281.38    178.066  1221.02    197.746  1540.16    409.437  47.181  3.9048  52.265  7.4431  -5.083961      8.405190  
1 1 1 -17 55  9  o 37.759  1.5353  772.895    62.788   520.182    247.321  790.305    64.915   30.052  7.5949  38.181  1.5697  -8.129005      7.755386  
1 1 1 -17 55  10 o 44.342  3.5558  1077.70    169.336  1009.02    228.529  1161.33    252.168  42.630  5.0474  45.747  5.1806  -3.116814      7.232878  
1 1 1 -17 55  11 o 59.561  3.2743  1937.11    210.420  1668.72    297.345  2206.36    297.813  54.941  5.0535  63.385  4.3646  -8.444149      6.677380  
1 1 1 -17 55  12 o 27.820  5.5282  440.268    160.707  612.784    240.604  301.311    215.938  32.626  7.0171  23.453  7.5124  9.172787       10.27991  
1 1 1 -17 55  13 o 104.890 3.0347  5989.19    344.766  5790.70    487.534  6187.74    487.612  102.849 4.3766  106.353 4.2331  -3.504349      6.088781  
1 1 1 -17 55  14 o 93.596  3.0668  4771.96    310.897  5102.00    443.004  4451.65    436.418  96.523  4.2375  90.105  4.4718  6.418243       6.160604  
1 1 1 -17 55  15 o 43.959  4.3051  1069.50    202.341  1006.88    302.397  1120.27    272.274  41.943  6.8962  44.631  5.7673  -2.687935      8.989973  
1 1 1 -17 55  16 o 54.852  3.5836  1652.15    211.735  1673.12    316.105  1635.08    285.158  54.729  5.4032  54.243  4.9068  0.4865990      7.298722  
1 1 1 -17 55  17 o 23.050  6.5583  306.170    171.550  321.026    263.068  295.178    226.282  24.359  8.3117  23.202  7.7080  1.156754       11.33569  
1 1 1 -17 55  18 f 17.689  6.6147  138.089    170.661  271.219    264.174  42.732     223.577  23.092  8.2953  17.108  7.1701  5.983629       10.96458  
1 1 1 -17 55  19 o 26.514  6.6598  412.962    190.998  443.654    279.128  385.938    261.917  27.484  8.5063  25.872  8.2722  1.611618       11.86536  
1 1 1 -17 55  20 o 44.029  4.6743  1088.79    219.500  1260.52    331.916  955.311    292.623  46.556  6.7815  40.356  6.9452  6.200237       9.706959  
1 1 1 -17 55  21 o 46.303  4.7935  1213.60    236.915  928.747    363.129  1424.71    312.614  38.489  8.8899  49.667  5.9284  -11.17748      10.68533  
1 1 1 -17 55  22 o 28.047  7.7275  491.083    242.251  572.386    356.432  421.285    330.253  29.698  9.6648  26.307  9.2935  3.391005       13.40807  
1 1 1 -17 55  23 o 15.022  7.0404  -219.3534  288.271  -166.1626  407.445  -272.6648  407.907  18.747  8.6430  17.784  8.3477  0.9628811      12.01599  
1 1 1 -17 55  24 o 44.378  7.3520  1221.73    341.016  1074.46    483.887  1367.05    480.669  38.475  11.037  44.496  10.193  -6.021500      15.02356  
1 1 1 -17 55  25 o 26.135  9.1848  451.277    322.208  746.445    460.252  167.576    451.224  31.675  10.986  22.687  9.8598  8.987503       14.76177  
1 1 1 -17 55  26 o 24.821  9.1725  404.211    326.253  225.592    465.984  575.958    456.932  23.216  10.055  28.149  10.756  -4.933090      14.72386  
1 1 1 -17 55  27 o 24.753  9.2095  404.905    329.993  552.752    477.504  269.742    456.562  27.631  10.874  23.546  10.072  4.085449       14.82139  
1 1 1 -17 56  1  o 85.763  3.0907  3997.01    287.097  3770.95    405.806  4223.55    406.226  83.017  4.5303  88.023  4.2609  -5.005989      6.219248  
1 1 1 -17 56  2  o 29.035  1.2351  456.810    38.842   569.184    54.141   337.632    55.756   32.406  1.5425  24.862  2.0899  7.543674       2.597554  
1 1 1 -17 56  3  o 120.074 2.7766  7829.81    361.109  7320.88    412.972  9482.90    744.279  116.041 3.2858  131.677 5.2186  -15.63635      6.166883  
1 1 1 -17 56  4  o 61.976  3.0301  2087.17    203.400  1917.54    220.241  3070.80    530.352  59.276  3.4453  74.417  6.6500  -15.14017      7.489500  
1 1 1 -17 56  5  o 101.864 2.9310  5637.40    323.372  5521.21    368.862  6023.23    672.167  100.755 3.3801  104.604 5.9574  -3.848694      6.849529  
1 1 1 -17 56  6  o 104.595 2.9583  5944.62    335.144  5846.62    383.105  6264.18    691.781  103.672 3.4118  106.649 6.0134  -2.976715      6.913816  
1 1 1 -17 56  7  o 134.682 3.2633  9865.22    476.037  9884.57    539.096  9796.69    1014.32  134.734 3.6942  133.002 7.0665  1.732193       7.973891  
1 1 1 -17 56  8  o 101.761 3.0851  5630.40    340.032  5842.27    391.917  4985.34    683.840  103.599 3.4927  94.830  6.7011  8.769669       7.556697  
1 1 1 -17 56  9  o 76.591  3.5000  3194.24    290.346  3352.65    370.696  2942.81    467.011  78.224  4.3931  72.906  5.9665  5.318771       7.409291  
1 1 1 -17 56  10 o 90.828  2.9507  4486.38    290.274  4624.63    408.095  4344.81    412.967  92.039  4.0937  89.179  4.2755  2.860306       5.919304  
1 1 1 -17 56  11 o 100.755 2.9934  5522.64    326.662  5667.58    462.064  5377.82    461.876  101.847 4.1888  99.185  4.2994  2.661163       6.002542  
1 1 1 -17 56  12 o 112.667 3.0341  6908.84    370.254  6964.94    523.001  6852.48    524.238  112.846 4.2790  111.919 4.3247  0.9265900      6.083841  
1 1 1 -17 56  13 o 59.186  2.2076  1902.51    141.520  1713.69    305.941  1953.91    159.625  55.596  5.1389  59.960  2.4579  -4.364109      5.696466  
1 1 1 -17 56  14 f 68.086  3.2790  2528.04    241.810  2514.32    354.046  2540.04    331.052  67.450  4.8792  67.890  4.5282  -0.4395370     6.656636  
1 1 1 -17 56  15 o 59.718  3.5582  1955.62    229.103  2081.71    339.031  1849.65    310.807  61.210  5.1620  57.714  5.0222  3.496407       7.201982  
1 1 1 -17 56  16 o 93.438  3.1037  4763.98    314.101  4444.01    467.483  5027.31    424.092  89.644  4.8326  95.721  4.0906  -6.076904      6.331402  
1 1 1 -17 56  17 o 23.510  6.8025  318.848    183.095  271.358    263.796  362.992    254.334  23.129  8.2914  25.324  8.1573  -2.194948      11.63140  
1 1 1 -17 56  18 o 43.704  4.3108  1062.14    201.400  1013.28    308.724  1098.33    265.731  41.783  7.0743  44.031  5.7062  -2.248177      9.088814  
1 1 1 -17 56  19 o 58.343  3.7121  1878.10    233.351  2094.92    363.913  1726.70    304.100  60.950  5.5743  55.468  5.1195  5.481308       7.568524  
1 1 1 -17 56  20 o 38.912  4.8564  856.935    200.220  1219.10    309.029  594.914    262.851  45.870  6.3939  31.347  7.7787  14.52304       10.06928  
1 1 1 -17 56  21 f 24.012  7.1844  346.269    201.381  603.969    356.347  225.351    244.097  30.758  9.6263  21.153  7.9106  9.605246       12.45970  
1 1 1 -17 56  22 o 29.511  7.7558  546.478    251.154  432.323    430.711  605.291    309.155  27.159  10.427  30.609  8.8342  -3.450346      13.66658  
1 1 1 -17 56  23 o 52.298  6.3380  1626.38    351.681  1683.40    498.764  1570.01    495.952  50.664  9.4365  48.588  9.7629  2.075401       13.57797  
1 1 1 -17 56  24 o 43.778  7.4737  1197.56    341.650  905.623    485.345  1484.32    481.017  34.978  11.269  46.698  9.8217  -11.72030      14.94827  
1 1 1 -17 56  25 o 22.589  8.8690  282.830    316.984  109.774    454.229  447.112    442.565  21.997  9.7157  26.413  10.445  -4.415802      14.26491  
1 1 1 -17 56  26 o 17.009  7.7456  -69.6062   314.020  259.346    451.339  -378.2467  437.183  23.489  10.030  17.076  8.1919  6.413652       12.94997  
1 1 1 -17 57  1  o 57.940  5.3676  1852.90    333.017  1365.71    445.926  2467.23    500.740  48.838  8.7515  66.524  7.0574  -17.68567      11.24261  
1 1 1 -17 57  2  o 37.485  2.1076  764.640    85.224   758.424    86.778   933.507    452.321  37.328  2.1555  39.981  10.361  -2.652290      10.58265  
1 1 1 -17 57  3  f 19.442  1.2370  205.656    25.914   206.146    25.961   70.901     430.594  19.466  1.2378  23.710  9.9444  -4.244856      10.02111  
1 1 1 -17 57  4  o 104.277 2.7636  5905.79    312.134  5875.21    345.558  6041.34    727.474  103.971 3.0686  104.603 6.4525  -0.6321259     7.144985  
1 1 1 -17 57  5  o 125.465 3.1003  8556.76    421.299  8980.40    481.069  7162.61    872.700  128.475 3.4572  113.676 7.1240  14.79913       7.918572  
1 1 1 -17 57  6  o 88.207  2.9768  4228.54    284.393  4333.87    324.827  3882.72    588.587  89.255  3.3601  83.712  6.5436  5.542801       7.355912  
1 1 1 -17 57  7  o 171.398 3.6087  15996.51   669.921  16059.69   771.856  15803.58   1348.81  171.585 4.1532  168.907 7.3728  2.677551       8.462116  
1 1 1 -17 57  8  o 109.904 3.1113  6569.38    370.355  6456.29    427.727  6908.15    740.306  108.870 3.6273  111.855 6.1340  -2.985092      7.126258  
1 1 1 -17 57  9  o 85.292  3.6505  3964.49    337.233  4051.82    415.554  3796.04    577.142  85.977  4.4779  82.661  6.4987  3.316399       7.892108  
1 1 1 -17 57  10 o 115.066 3.0987  7204.53    386.189  7551.77    539.320  6839.12    553.256  117.563 4.2355  111.798 4.5690  5.765656       6.230202  
1 1 1 -17 57  11 o 99.743  2.8635  5410.94    309.345  5906.11    465.680  5019.87    413.852  103.964 4.1356  95.877  3.9853  8.086426       5.743288  
1 1 1 -17 57  12 f 22.205  1.4510  268.466    34.705   446.186    240.352  264.682    35.073   27.811  7.7108  22.045  1.4775  5.765862       7.851094  
1 1 1 -17 57  13 o 48.436  2.5327  1279.01    132.409  1820.44    284.271  1128.99    149.632  57.425  4.6093  45.427  3.0590  11.99858       5.532003  
1 1 1 -17 57  14 o 38.446  1.6523  801.948    68.804   503.801    275.397  821.797    71.057   29.395  8.2908  38.917  1.6857  -9.522476      8.460475  
1 1 1 -17 57  15 o 45.082  3.9989  1122.17    193.234  1385.21    292.998  919.693    257.062  49.726  5.5340  40.245  6.0875  9.481018       8.227022  
1 1 1 -17 57  16 o 64.658  3.3269  2290.47    232.201  2372.22    342.845  2221.20    315.606  65.379  4.8767  63.328  4.6335  2.051399       6.726925  
1 1 1 -17 57  17 o 69.300  2.7468  2618.45    206.170  3021.67    379.478  2449.59    245.575  73.801  4.7730  66.824  3.4043  6.976463       5.862617  
1 1 1 -17 57  18 o 88.764  3.2918  4312.01    316.471  4428.45    472.790  4217.48    425.978  89.259  4.9093  87.271  4.5221  1.987503       6.674592  
1 1 1 -17 57  19 o 42.548  4.5068  1013.46    204.527  934.194    313.806  1072.00    269.675  39.701  7.5741  43.288  5.9059  -3.586849      9.604449  
1 1 1 -17 57  20 o 49.545  4.0925  1369.50    217.644  1441.99    332.496  1315.16    287.890  49.891  6.2930  47.917  5.6561  1.974194       8.461311  
1 1 1 -17 57  21 o 39.126  5.1884  881.489    214.451  1260.65    359.249  671.581    267.301  45.565  7.5433  32.978  7.6342  12.58680       10.73229  
1 1 1 -17 57  22 o 66.659  4.2806  2503.45    307.417  2431.96    538.044  2538.10    374.580  62.704  8.1125  66.484  5.2444  -3.780048      9.660010  
1 1 1 -17 57  23 o 78.720  3.7044  3458.51    315.844  3354.49    358.669  3817.73    666.537  77.014  4.3172  78.373  7.9627  -1.358429      9.057798  
1 1 1 -17 57  24 o 18.689  8.1118  54.148     304.622  416.938    436.680  -289.7407  425.152  26.213  10.372  17.779  8.3999  8.433706       13.34684  
1 1 1 -17 57  25 o 15.996  7.4144  -149.0500  305.839  -239.4079  441.169  -65.4448   424.364  18.346  8.6338  19.579  8.9501  -1.232815      12.43568  
1 1 1 -17 57  26 o 20.866  8.8828  161.920    352.078  579.294    462.267  -414.6588  543.324  28.248  10.813  18.900  9.0846  9.347980       14.12259  
1 1 1 -17 58  1  o 105.506 4.4540  6075.13    508.972  5538.23    703.654  6664.29    737.099  100.093 6.5263  109.935 6.2159  -9.842651      9.012776  
1 1 1 -17 58  2  o 41.099  7.1850  958.756    308.191  1098.19    414.876  787.074    460.361  43.579  9.0841  36.892  10.819  6.687195       14.12681  
1 1 1 -17 58  3  o 47.397  1.6322  1217.88    83.791   1227.00    85.161   941.325    469.077  47.574  1.6527  40.093  10.630  7.480957       10.75724  
1 1 1 -17 58  4  o 153.733 3.9035  12877.00   649.960  13070.26   779.136  12434.74   1178.63  154.686 4.6504  149.958 7.2567  4.728134       8.618944  
1 1 1 -17 58  5  o 113.328 3.0051  6981.08    368.870  7234.28    422.148  6163.60    758.527  115.308 3.3801  105.524 6.6710  9.784027       7.478447  
1 1 1 -17 58  6  o 31.548  1.4810  539.493    50.605   405.659    178.937  551.128    52.759   26.623  6.3030  31.885  1.5277  -5.262022      6.485495  
1 1 1 -17 58  7  o 67.310  3.2269  2464.90    235.254  2337.24    270.393  2862.52    477.213  65.372  3.8357  71.843  6.1933  -6.471207      7.284863  
1 1 1 -17 58  8  o 31.577  4.6570  556.817    154.493  584.940    216.494  527.634    220.533  32.003  6.4682  30.299  6.8775  1.704456       9.441249  
1 1 1 -17 58  9  o 66.556  4.6827  2436.28    335.415  2383.94    469.726  2490.74    479.109  65.301  6.7381  66.769  6.7162  -1.467781      9.513645  
1 1 1 -17 58  10 o 65.314  3.1630  2322.08    223.759  2145.61    306.499  2523.47    327.421  62.449  4.5630  67.768  4.4861  -5.318985      6.398912  
1 1 1 -17 58  11 o 76.526  2.6841  3184.01    222.478  3122.95    371.030  3218.29    278.000  75.375  4.5663  76.854  3.3397  -1.479103      5.657260  
1 1 1 -17 58  12 o 60.259  3.4834  1987.08    226.380  1647.21    313.815  2355.85    326.885  54.430  5.3941  65.379  4.6464  -10.94948      7.119430  
1 1 1 -17 58  13 o 121.326 3.1411  8022.40    412.765  8857.56    600.253  7273.22    568.515  127.113 4.3599  115.120 4.5595  11.99322       6.308543  
1 1 1 -17 58  14 o 44.450  2.2696  1076.70    108.904  1331.08    278.584  1030.81    118.320  48.807  5.3580  43.458  2.5246  5.349617       5.923011  
1 1 1 -17 58  15 f 47.499  3.7995  1243.02    193.835  1315.81    285.320  1180.63    264.151  48.432  5.5388  45.879  5.4205  2.552288       7.749788  
1 1 1 -17 58  16 o 44.981  4.2052  1121.46    202.499  1007.42    289.174  1231.20    283.659  41.913  6.5873  46.714  5.7263  -4.800323      8.728292  
1 1 1 -17 58  17 o 75.625  2.7161  3118.14    222.477  3141.86    408.732  3108.15    265.205  75.137  5.0518  75.395  3.2476  -0.2578888     6.005630  
1 1 1 -17 58  18 o 31.175  6.0650  563.067    197.420  100.697    326.102  830.566    248.039  20.972  8.7135  37.967  6.2492  -16.99461      10.72275  
1 1 1 -17 58  19 o 29.067  6.7703  500.666    209.179  785.129    329.348  308.329    270.815  35.850  8.5937  23.849  8.4167  12.00111       12.02884  
1 1 1 -17 58  20 o 47.472  4.3852  1265.92    222.927  1568.43    327.543  1004.88    304.274  52.168  5.9006  41.066  7.0976  11.10192       9.230046  
1 1 1 -17 58  21 o 53.289  2.4833  1555.55    143.326  1779.94    389.591  1520.43    154.136  54.772  6.7074  52.558  2.7170  2.214054       7.236808  
1 1 1 -17 58  22 o 57.419  5.9065  1927.49    362.095  1746.69    517.159  2101.36    507.147  51.727  9.5838  58.014  8.3082  -6.287804      12.68366  
1 1 1 -17 58  23 o 22.397  8.7622  257.591    308.492  575.812    443.596  -40.4532   429.302  29.290  10.716  20.368  9.1875  8.921646       14.11538  
1 1 1 -17 58  24 o 18.739  8.1506  53.166     308.847  265.845    446.552  -141.8577  427.615  24.025  10.104  19.083  8.8177  4.941565       13.41068  
1 1 1 -17 58  25 o 25.101  9.1890  410.355    326.239  460.663    475.193  365.503    448.691  26.626  10.724  25.078  10.301  1.547934       14.86957  
1 1 1 -17 58  26 o 22.724  1.9210  284.631    46.837   282.668    47.091   464.998    451.472  22.641  1.9390  26.404  10.515  -3.763210      10.69233  
1 1 1 -17 59  1  o 27.996  8.4840  441.097    279.513  515.654    370.961  343.172    425.136  30.544  9.8530  27.844  10.435  2.699600       14.35141  
1 1 1 -17 59  2  o 61.870  5.3194  2112.06    352.995  2456.75    482.416  1714.81    517.889  66.396  6.8044  54.702  9.0581  11.69399       11.32911  
1 1 1 -17 59  3  o 57.780  1.9601  1810.84    122.664  1850.29    126.690  1219.66    490.437  58.403  2.0028  45.654  10.178  12.74972       10.37311  
1 1 1 -17 59  4  o 203.930 4.4064  22706.02   973.273  21909.20   1073.73  26376.65   2304.53  200.106 4.9541  216.331 9.8355  -16.22467      11.01268  
1 1 1 -17 59  5  o 96.830  2.7839  5094.64    291.963  5120.84    324.382  4982.86    670.000  97.042  3.0862  94.830  6.5636  2.212029       7.252934  
1 1 1 -17 59  6  o 42.602  2.1495  987.428    98.866   972.222    102.087  1217.02    396.685  42.264  2.2381  46.069  8.2530  -3.805302      8.551108  
1 1 1 -17 59  7  o 86.154  2.7575  4034.02    257.311  3768.35    327.597  4461.87    415.737  83.160  3.6371  90.389  4.2465  -7.228363      5.591203  
1 1 1 -17 59  8  o 77.064  2.7619  3228.12    230.534  3401.18    308.118  3008.03    347.467  79.001  3.6009  74.064  4.3506  4.936676       5.647505  
1 1 1 -17 59  9  o 63.115  4.8039  2194.64    325.934  2286.10    454.160  2097.50    468.033  63.938  6.6557  61.045  7.2185  2.893024       9.818542  
1 1 1 -17 59  10 o 86.121  2.7891  4033.36    260.165  3881.84    403.462  4141.21    340.385  84.106  4.4448  87.144  3.6063  -3.037338      5.723755  
1 1 1 -17 59  11 o 106.703 3.0648  6199.04    354.200  5675.81    497.004  6739.08    504.920  101.784 4.5083  110.993 4.2001  -9.209122      6.161599  
1 1 1 -17 59  12 o 46.067  4.2799  1171.95    211.106  1382.94    303.348  973.798    293.972  49.720  5.7384  41.319  6.8058  8.400623       8.902179  
1 1 1 -17 59  13 o 95.264  3.1117  4946.92    321.067  4975.09    464.501  4921.15    444.289  95.197  4.5050  94.728  4.3303  0.4686813      6.248710  
1 1 1 -17 59  14 o 63.899  3.4579  2236.93    238.430  2028.57    345.517  2426.36    329.440  60.354  5.3407  66.266  4.6189  -5.911793      7.061007  
1 1 1 -17 59  15 o 69.829  2.7468  2656.70    207.746  2540.05    377.009  2707.56    248.952  67.572  5.1909  70.407  3.2646  -2.835228      6.132168  
1 1 1 -17 59  16 f 87.714  3.2202  4204.41    305.930  4394.45    451.054  4042.50    416.329  89.111  4.6899  85.528  4.5102  3.583160       6.506675  
1 1 1 -17 59  17 o 15.029  1.8416  124.526    29.349   263.326    319.046  123.342    29.474   23.867  9.0192  14.953  1.8600  8.913378       9.209023  
1 1 1 -17 59  18 o 24.664  6.6291  357.077    180.894  324.930    278.792  380.452    237.732  24.455  8.5465  25.522  7.8422  -1.066891      11.59926  
1 1 1 -17 59  19 o 57.171  3.8259  1811.89    235.537  1888.67    367.952  1758.58    306.582  57.435  6.0036  55.811  5.1291  1.623283       7.896293  
1 1 1 -17 59  20 o 34.683  2.2987  659.948    85.863   1129.67    313.812  621.937    89.270   43.597  6.8734  33.632  2.4679  9.965305       7.302985  
1 1 1 -17 59  21 o 9.5606  2.3898  51.992     24.679   121.431    421.234  51.753     24.721   22.460  9.6424  9.5391  2.3959  12.92104       9.935569  
1 1 1 -17 59  22 o 64.268  5.5523  2394.60    382.692  2279.93    547.505  2504.14    535.123  60.016  8.6744  63.652  7.9342  -3.636478      11.75575  
1 1 1 -17 59  23 o 29.077  9.6206  567.346    352.642  695.569    471.011  403.795    531.954  31.324  11.095  27.020  11.169  4.303951       15.74349  
1 1 1 -17 59  24 o 45.200  7.5069  1287.25    354.619  1403.33    517.095  1184.18    487.249  43.840  10.928  40.102  10.922  3.738270       15.45085  
1 1 1 -17 59  25 o 14.756  7.0311  -285.0320  310.497  -486.0366  458.532  -114.8105  421.963  16.880  8.1706  18.988  8.7687  -2.107836      11.98535  
1 1 1 -17 60  1  o 57.263  5.4361  1814.14    333.116  2111.04    450.005  1454.21    495.464  61.446  6.8797  50.107  9.4766  11.33886       11.71049  
1 1 1 -17 60  2  o 82.156  4.6968  3701.99    416.200  3470.65    572.462  3961.38    606.174  79.003  6.7550  84.463  6.6807  -5.459824      9.500602  
1 1 1 -17 60  3  o 122.847 3.3133  8212.12    440.860  7675.31    522.524  9538.27    821.283  118.621 4.0670  131.761 5.7549  -13.14051      7.046921  
1 1 1 -17 60  4  o 80.507  2.5593  3520.25    223.168  3486.27    240.232  3734.28    602.893  80.098  2.7691  81.915  6.8583  -1.817970      7.396271  
1 1 1 -17 60  5  o 26.168  1.2798  371.117    36.274   355.860    49.165   389.343    53.736   25.553  1.7877  26.727  1.8681  -1.173447      2.585617  
1 1 1 -17 60  6  o 106.576 2.9347  6176.19    338.761  6176.72    385.134  6174.35    712.092  106.518 3.3383  105.632 6.2518  0.8849792      7.087250  
1 1 1 -17 60  7  o 102.982 3.0470  5769.12    339.859  5716.27    390.902  5932.77    687.879  102.432 3.5234  103.546 6.1614  -1.113945      7.097653  
1 1 1 -17 60  8  o 111.148 2.7579  6715.77    332.012  6942.44    435.883  6402.51    512.419  112.864 3.5657  108.214 4.3719  4.650085       5.641612  
1 1 1 -17 60  9  f 39.803  2.1579  862.597    92.681   983.295    376.444  854.809    95.625   41.078  8.7301  39.615  2.2378  1.462975       9.012392  
1 1 1 -17 60  10 o 36.743  4.5186  750.154    176.035  957.345    237.181  496.047    262.666  41.372  5.4237  29.270  8.0392  12.10194       9.697666  
1 1 1 -17 60  11 o 69.632  3.1857  2641.79    240.258  2709.20    329.863  2565.62    350.639  70.199  4.3600  68.203  4.7768  1.995384       6.467398  
1 1 1 -17 60  12 o 95.768  3.0960  4997.61    321.132  5192.59    449.257  4793.91    459.206  97.350  4.2608  93.466  4.5361  3.884155       6.223373  
1 1 1 -17 60  13 o 44.518  4.3352  1097.34    206.381  924.692    284.541  1288.99    299.790  40.177  6.7802  47.867  5.9078  -7.690437      8.992892  
1 1 1 -17 60  14 o 35.362  5.4257  707.122    201.172  688.173    280.188  727.284    289.018  34.249  7.7359  35.212  7.7850  -0.9634171     10.97498  
1 1 1 -17 60  15 o 62.507  2.7653  2129.42    187.211  2752.70    359.041  1896.69    219.396  70.489  4.7302  58.788  3.4609  11.70123       5.861115  
1 1 1 -17 60  16 o 24.988  7.0387  363.263    198.629  251.529    296.071  454.713    267.851  23.246  8.7085  27.856  8.2746  -4.609684      12.01283  
1 1 1 -17 60  17 o 38.275  5.9679  838.624    239.336  558.626    377.946  1026.08    309.243  30.710  9.9494  42.018  7.0444  -11.30805      12.19073  
1 1 1 -17 60  18 o 29.309  7.3255  512.304    231.906  816.006    363.047  302.966    301.414  36.402  9.2030  24.207  8.8368  12.19457       12.75873  
1 1 1 -17 60  19 o 35.594  6.1748  740.844    229.419  774.301    364.510  718.898    295.228  35.010  9.4103  34.254  8.0871  0.7560577      12.40788  
1 1 1 -17 60  20 o 83.484  3.0184  3835.40    272.927  4432.18    473.965  3539.34    333.829  88.430  4.9687  79.794  3.8626  8.636009       6.293455  
1 1 1 -17 60  21 o 29.643  2.2942  483.501    73.085   726.082    490.722  477.999    73.909   32.572  11.341  29.464  2.3351  3.107422       11.57913  
1 1 1 -17 60  22 o 75.526  5.8181  3329.82    472.271  3320.23    632.486  3341.91    709.998  72.996  8.1384  71.805  9.3511  1.190857       12.39665  
1 1 1 -17 60  23 o 61.540  5.9871  2242.95    394.013  2512.08    587.706  2023.22    531.032  62.042  9.0093  55.457  9.1607  6.584995       12.84854  
1 1 1 -17 60  24 f 30.101  9.4847  629.025    345.297  584.715    527.288  662.292    456.891  28.905  11.410  30.179  10.901  -1.274706      15.78015  
1 1 1 -17 60  25 o 21.605  2.7473  262.012    62.833   250.716    63.306   1010.08    515.162  21.101  2.8423  35.701  11.619  -14.60037      11.96178  
1 1 1 -17 61  1  o 37.652  7.4343  813.016    292.421  927.597    389.162  664.422    443.175  39.865  9.1999  34.155  10.743  5.710220       14.14367  
1 1 1 -17 61  2  o 26.312  8.6769  373.894    286.943  289.573    386.528  477.412    428.274  26.130  9.9147  30.299  10.593  -4.168682      14.50871  
1 1 1 -17 61  3  o 95.320  2.6660  4936.63    275.239  4158.36    369.666  5904.82    412.310  87.319  3.9087  104.098 3.6569  -16.77876      5.352607  
1 1 1 -17 61  4  o 57.213  2.1762  1776.59    134.854  1810.09    139.903  1337.47    506.525  57.746  2.2368  47.751  10.109  9.995316       10.35329  
1 1 1 -17 61  5  f 28.219  1.5794  433.104    48.079   436.873    48.359   111.004    447.035  28.342  1.5817  24.533  10.198  3.808748       10.32008  
1 1 1 -17 61  6  o 70.103  2.5587  2669.86    194.280  2661.75    272.940  2678.19    276.604  69.793  3.6231  70.002  3.6609  -0.2092285     5.150665  
1 1 1 -17 61  7  o 48.383  3.2277  1279.91    168.173  1170.28    226.855  1413.67    250.576  46.018  4.6136  50.618  4.6215  -4.599613      6.530157  
1 1 1 -17 61  8  o 40.209  4.0711  891.949    174.854  1101.52    242.257  664.042    252.631  44.515  5.1176  33.974  7.0944  10.54114       8.747605  
1 1 1 -17 61  9  o 61.910  4.8730  2115.23    324.122  1685.78    451.040  2573.80    466.084  54.367  7.8901  67.896  6.4140  -13.52859      10.16822  
1 1 1 -17 61  10 o 99.223  3.0149  5360.08    324.005  5380.33    452.675  5338.81    463.956  99.159  4.2149  98.745  4.3380  0.4135361      6.048429  
1 1 1 -17 61  11 o 66.843  3.1491  2434.68    227.991  2340.18    305.920  2552.74    341.932  65.209  4.3565  68.040  4.6681  -2.830933      6.385174  
1 1 1 -17 61  12 o 94.931  3.0949  4912.19    318.220  4878.04    447.797  4947.03    452.297  94.293  4.3846  94.953  4.3979  -0.6606827     6.210171  
1 1 1 -17 61  13 o 71.612  3.3222  2799.55    257.682  2603.23    360.202  3005.33    368.785  68.575  4.8815  73.780  4.6386  -5.204559      6.733910  
1 1 1 -17 61  14 o 39.037  5.2717  857.600    217.189  1134.43    319.300  619.225    296.293  44.490  6.8457  32.325  8.3897  12.16452       10.82822  
1 1 1 -17 61  15 o 57.370  3.8716  1813.16    239.165  1648.60    336.785  1980.57    339.694  54.103  5.8398  59.536  5.3241  -5.432796      7.902499  
1 1 1 -17 61  16 f 57.446  3.9543  1820.93    244.538  1739.54    347.183  1901.05    344.489  55.530  5.8610  58.198  5.5316  -2.668137      8.059157  
1 1 1 -17 61  17 o 25.824  7.3807  392.370    216.765  315.871    357.117  436.996    272.759  25.413  9.5556  27.257  8.4042  -1.844429      12.72561  
1 1 1 -17 61  18 o 73.800  3.5676  2996.59    285.168  3460.63    432.123  2638.59    379.550  78.515  5.1093  68.496  5.1538  10.01825       7.257129  
1 1 1 -17 61  19 o 50.221  2.3832  1377.92    129.630  1358.03    385.936  1380.45    137.625  47.444  7.7802  50.174  2.5408  -2.730484      8.184566  
1 1 1 -17 61  20 o 80.989  3.2316  3620.25    283.475  4003.44    615.365  3517.03    319.381  82.165  6.9808  79.591  3.7049  2.574219       7.903044  
1 1 1 -17 61  21 o 25.825  9.3221  400.377    334.068  783.691    470.076  9.2441     474.846  33.636  11.107  22.051  9.8259  11.58488       14.82916  
1 1 1 -17 61  22 o 27.456  9.5972  485.224    351.563  851.976    496.782  117.279    497.589  34.342  11.421  23.358  10.248  10.98430       15.34503  
1 1 1 -17 61  23 f 18.521  8.3104  -32.3342   346.038  -13.6517   492.066  -50.6132   486.722  21.598  9.7804  21.153  9.6367  0.4445057      13.73037  
1 1 1 -17 61  24 o 18.483  8.3190  -28.3321   349.719  233.367    502.488  -274.1749  487.027  24.061  10.431  19.031  8.9908  5.030800       13.77096  
1 1 1 -17 61  25 o 24.853  9.5715  388.922    363.657  469.486    524.651  314.422    504.518  26.980  11.117  24.875  10.612  2.105003       15.36890  
1 1 1 -17 62  1  o 81.004  4.6447  3601.53    405.803  3693.36    554.463  3495.59    595.520  81.576  6.3249  79.125  7.0218  2.450096       9.450336  
1 1 1 -17 62  2  o 44.437  6.7364  1115.43    314.062  1108.06    427.313  1124.08    463.150  43.573  9.3353  43.721  9.9979  -0.1475639     13.67870  
1 1 1 -17 62  3  o 17.064  5.7096  151.136    124.113  72.084     129.694  1010.89    427.711  14.579  5.6875  41.501  9.6910  -26.92189      11.23671  
1 1 1 -17 62  4  o 41.391  1.9067  929.430    85.478   927.356    86.952   989.059    466.200  41.344  1.9418  40.901  10.477  0.4428787      10.65557  
1 1 1 -17 62  5  o 22.629  1.2321  278.332    30.084   280.009    30.156   -73.8714   437.047  22.697  1.2313  21.890  9.6040  0.8073330      9.682590  
1 1 1 -17 62  6  f 72.547  3.0916  2863.96    242.928  2977.33    277.523  2492.39    502.430  73.923  3.4662  66.659  7.0667  7.263382       7.871015  
1 1 1 -17 62  7  o 132.249 3.2451  9523.86    464.828  9561.50    536.345  9410.27    931.702  132.391 3.7404  130.173 6.6302  2.218048       7.612493  
1 1 1 -17 62  8  o 43.865  3.8641  1058.44    181.709  859.485    252.426  1272.42    261.780  38.984  6.1847  47.868  5.1290  -8.883774      8.034792  
1 1 1 -17 62  9  o 105.820 4.3889  6131.87    503.028  6528.85    706.811  5724.42    716.058  108.503 6.0383  101.363 6.5574  7.139351       8.914076  
1 1 1 -17 62  10 o 18.005  6.6353  145.206    170.512  104.199    240.031  186.979    242.264  19.007  7.6336  20.888  7.8673  -1.880135      10.96199  
1 1 1 -17 62  11 o 63.775  3.3162  2224.48    228.273  1894.45    311.050  2609.70    336.053  58.473  4.9581  68.809  4.5345  -10.33626      6.718956  
1 1 1 -17 62  12 o 40.495  4.6486  912.804    200.191  1111.57    277.624  697.501    288.942  44.399  5.9208  34.495  7.9033  9.903996       9.875075  
1 1 1 -17 62  13 o 54.805  3.8109  1652.17    224.805  1338.71    312.665  1987.64    323.454  48.703  6.0582  59.809  5.0402  -11.10567      7.880660  
1 1 1 -17 62  14 o 62.044  3.7814  2116.86    252.898  1889.91    367.375  2321.28    348.662  57.961  5.9357  64.618  5.0212  -6.656815      7.774665  
1 1 1 -17 62  15 o 86.242  3.2473  4065.02    303.332  3952.51    436.923  4169.70    421.448  84.459  4.7961  86.874  4.4944  -2.414879      6.572821  
1 1 1 -17 62  16 o 72.605  3.4973  2888.68    275.022  2715.76    390.280  3059.24    387.614  69.726  5.2054  74.170  4.8518  -4.444382      7.115901  
1 1 1 -17 62  17 o 49.341  4.8850  1365.67    257.631  1581.38    409.847  1224.75    331.262  52.000  7.4933  45.936  6.8690  6.063774       10.16528  
1 1 1 -17 62  18 f 34.641  6.0927  699.799    220.251  926.782    337.477  531.383    290.697  38.992  8.2484  29.449  8.5859  9.543467       11.90603  
1 1 1 -17 62  19 o 23.437  1.6703  300.346    42.123   490.583    362.492  297.742    42.410   28.249  9.7525  23.332  1.6897  4.917446       9.897766  
1 1 1 -17 62  20 o 18.679  7.6540  112.456    247.011  77.968     529.263  122.060    279.294  23.874  10.519  19.627  8.1017  4.246906       13.27723  
1 1 1 -17 62  21 o 56.251  6.4196  1874.44    384.115  1774.16    539.859  1977.27    546.647  51.762  9.9913  55.194  9.4861  -3.432068      13.77720  
1 1 1 -17 62  22 o 51.500  7.6874  1648.21    415.675  1701.94    546.348  1574.36    640.527  49.741  10.472  45.360  12.592  4.381161       16.37732  
1 1 1 -17 62  23 o 65.494  6.0856  2554.17    426.760  2218.07    605.239  2886.50    601.835  56.676  10.236  66.953  8.4899  -10.27697      13.29879  
1 1 1 -17 62  24 o 21.225  8.9837  169.126    356.637  521.358    510.931  -165.5530  498.039  27.795  11.146  20.065  9.3547  7.729675       14.55157  
1 1 1 -17 63  1  o 76.905  4.7082  3249.88    390.290  2730.41    531.518  3857.70    574.942  69.796  7.1312  83.321  6.4204  -13.52489      9.595545  
1 1 1 -17 63  2  o 85.209  4.6696  3985.90    429.319  4029.40    594.848  3938.60    620.246  85.140  6.4997  84.043  6.8740  1.097031       9.460335  
1 1 1 -17 63  3  f 35.830  4.3871  712.065    166.699  599.817    179.563  1412.33    448.498  32.663  5.2537  49.501  8.6818  -16.83773      10.14762  
1 1 1 -17 63  4  o 35.381  4.4332  695.011    166.159  679.013    178.410  799.648    456.267  34.881  4.8540  36.916  10.755  -2.035408      11.79941  
1 1 1 -17 63  5  o 121.617 3.0849  8049.07    406.354  7986.97    466.246  8245.29    828.763  121.050 3.5562  122.003 6.2932  -0.9527359     7.228479  
1 1 1 -17 63  6  o 65.200  3.3411  2321.63    235.148  2418.03    270.005  2018.90    478.476  66.469  3.7659  59.733  7.5651  6.735294       8.450659  
1 1 1 -17 63  7  o 89.143  2.5190  4318.47    243.209  4535.31    345.233  4104.83    342.680  91.208  3.4947  86.745  3.6473  4.462379       5.051323  
1 1 1 -17 63  8  o 58.144  3.3024  1848.14    207.113  1739.68    289.099  1962.50    296.860  56.110  4.8034  59.659  4.6305  -3.548977      6.671855  
1 1 1 -17 63  9  o 127.895 4.5524  8969.54    630.618  9197.38    886.751  8736.42    896.996  128.752 6.3588  125.189 6.6391  3.562866       9.193027  
1 1 1 -17 63  10 o 94.771  2.8272  4889.08    290.207  5150.69    434.091  4677.66    390.231  96.991  4.1322  92.486  3.8956  4.504875       5.678980  
1 1 1 -17 63  11 o 84.707  2.7413  3905.82    251.507  3794.60    392.415  3983.35    327.651  83.051  4.3779  85.396  3.5424  -2.345497      5.631618  
1 1 1 -17 63  12 o 105.549 2.9891  6072.56    341.719  6287.81    494.380  5875.63    472.865  107.044 4.2641  103.491 4.2186  3.553543       5.998242  
1 1 1 -17 63  13 o 82.794  2.8455  3736.12    255.173  3893.24    408.375  3635.48    326.833  83.999  4.5051  81.491  3.7029  2.508087       5.831574  
1 1 1 -17 63  14 o 124.483 3.2362  8466.19    436.330  8278.09    624.448  8645.66    609.935  122.495 4.7066  125.286 4.4948  -2.791321      6.508115  
1 1 1 -17 63  15 o 89.380  3.2887  4368.64    318.374  4375.38    450.948  4361.94    449.554  88.884  4.7009  88.750  4.6934  0.1338959      6.642755  
1 1 1 -17 63  16 o 21.732  1.8893  258.636    44.030   517.356    310.337  253.322    44.480   29.457  8.9424  21.501  1.9306  7.956291       9.148421  
1 1 1 -17 63  17 o 95.592  3.3654  5016.60    348.437  4711.82    500.373  5303.51    485.493  91.740  5.0553  97.722  4.5869  -5.982018      6.826087  
1 1 1 -17 63  18 o 61.783  4.0429  2125.70    269.049  2259.59    392.303  2006.80    369.688  62.797  5.8346  59.146  5.8474  3.650589       8.260404  
1 1 1 -17 63  19 o 34.161  2.5797  642.860    94.743   1329.29    358.554  591.336    98.234   47.006  7.2778  32.705  2.8002  14.30137       7.797887  
1 1 1 -17 63  20 o 29.679  9.3837  568.457    337.758  523.419    440.595  632.648    525.997  28.935  10.666  31.108  11.617  -2.173500      15.77023  
1 1 1 -17 63  21 o 49.602  7.1026  1492.37    370.687  1098.58    521.166  1895.57    527.350  39.027  11.530  54.036  9.3488  -15.00925      14.84384  
1 1 1 -17 63  22 o 54.343  7.3536  1819.74    421.708  2081.76    647.423  1626.65    555.782  53.859  11.451  47.938  10.945  5.921104       15.84035  
1 1 1 -17 63  23 f 44.189  8.3130  1265.64    383.263  1553.25    545.463  985.186    538.634  46.191  11.051  35.579  11.895  10.61211       16.23588  
1 1 1 -17 63  24 o 53.839  7.1532  1804.69    406.796  1835.90    578.096  1774.08    572.538  50.185  10.944  49.207  11.017  0.9776878      15.52858  
1 1 1 -17 64  1  o 56.701  5.4788  1783.73    332.273  1760.43    449.625  1811.77    493.204  55.705  7.6545  56.294  8.3414  -0.5889511     11.32120  
1 1 1 -17 64  2  o 26.341  8.7120  376.122    289.191  361.491    391.660  393.661    428.816  27.485  10.067  28.651  10.528  -1.165665      14.56661  
1 1 1 -17 64  3  o 31.744  4.7918  564.120    159.624  591.011    171.165  384.637    442.204  32.456  5.0320  28.690  10.663  3.766056       11.79115  
1 1 1 -17 64  4  o 11.379  5.0478  -42.2561   123.919  -43.7037   129.552  -26.6877   424.854  11.641  5.1628  22.117  9.5897  -10.47580      10.89110  
1 1 1 -17 64  5  o 88.234  2.7206  4232.94    260.000  4157.61    283.827  4625.96    648.272  87.409  2.9980  91.134  6.6126  -3.725838      7.260454  
1 1 1 -17 64  6  o 99.071  3.0316  5342.52    325.300  5405.06    369.508  5127.06    685.840  99.579  3.4260  95.917  6.6426  3.661461       7.474054  
1 1 1 -17 64  7  o 74.147  2.7752  2990.55    222.874  2862.34    293.316  3165.70    342.825  72.312  3.7580  75.962  4.1830  -3.650429      5.623142  
1 1 1 -17 64  8  o 78.737  2.9414  3374.90    250.844  3457.40    354.303  3291.98    355.191  79.389  4.1347  77.433  4.2514  1.956116       5.930459  
1 1 1 -17 64  9  o 88.984  3.1591  4315.35    304.474  4599.13    411.442  3971.83    452.689  91.654  4.1446  84.842  4.9477  6.811829       6.454305  
1 1 1 -17 64  10 o 76.089  2.6953  3150.72    222.126  3238.59    360.505  3096.94    282.020  76.723  4.3562  75.319  3.4571  1.404549       5.561289  
1 1 1 -17 64  11 o 40.386  4.4909  906.501    193.116  662.966    264.018  1186.72    283.204  33.720  7.4295  45.921  5.8250  -12.20160      9.440734  
1 1 1 -17 64  12 o 131.895 3.2740  9498.45    467.713  9305.71    659.751  9693.19    663.154  129.995 4.6858  132.707 4.6137  -2.712372      6.575945  
1 1 1 -17 64  13 o 64.769  2.5548  2283.95    179.222  2192.24    330.328  2322.21    213.354  62.833  4.8924  65.240  3.0194  -2.407253      5.749114  
1 1 1 -17 64  14 o 37.303  4.8573  780.929    191.595  678.269    266.082  891.471    276.108  33.987  7.4351  39.325  6.7241  -5.338375      10.02468  
1 1 1 -17 64  15 f 21.401  7.1746  248.874    195.976  303.806    270.101  187.808    284.784  23.939  8.4096  21.639  8.4318  2.299896       11.90869  
1 1 1 -17 64  16 o 62.552  2.7643  2136.74    187.280  2783.13    374.582  1921.31    216.248  70.593  4.9300  59.097  3.3927  11.49632       5.984593  
1 1 1 -17 64  17 o 44.442  4.8086  1113.99    227.771  1088.81    342.341  1133.99    305.100  42.680  7.6884  44.107  6.5884  -1.426830      10.12515  
1 1 1 -17 64  18 o 24.459  1.7330  327.147    45.613   511.353    394.415  324.650    45.921   28.916  10.162  24.362  1.7520  4.553410       10.31193  
1 1 1 -17 64  19 o 29.453  7.4457  534.924    237.654  400.548    410.090  602.872    291.614  26.696  10.193  30.877  8.4665  -4.180166      13.25026  
1 1 1 -17 64  20 o 46.711  6.7387  1304.65    331.073  1491.99    459.526  1102.44    477.401  48.241  9.1291  40.041  10.772  8.199642       14.12022  
1 1 1 -17 64  21 o 18.123  7.8469  35.990     283.659  142.081    359.874  -138.0550  460.935  21.401  9.0394  20.148  9.2533  1.253317       12.93583  
1 1 1 -17 64  22 o 35.609  9.4234  861.088    369.103  811.270    465.605  945.346    605.522  33.408  11.055  34.784  12.551  -1.375893      16.72548  
1 1 1 -17 64  23 o 69.940  5.8415  2900.05    438.456  2640.09    621.682  3157.33    618.470  62.638  9.4581  70.048  8.3141  -7.410175      12.59285  
1 1 1 -17 64  24 o 38.167  9.2201  998.873    376.874  1204.97    539.104  801.885    527.061  39.228  11.759  32.152  11.693  7.076714       16.58327  
1 1 1 -17 65  1  o 64.531  3.0631  2266.70    214.091  2260.99    234.969  2294.61    519.529  64.326  3.3844  63.658  7.6910  0.6682091      8.402708  
1 1 1 -17 65  2  o 119.668 4.4780  7839.92    580.404  7701.93    833.698  7969.70    808.511  117.711 6.5653  119.891 6.2479  -2.179077      9.063088  
1 1 1 -17 65  3  o 69.976  3.2485  2667.14    246.212  2426.62    277.646  3552.55    532.714  66.557  3.8682  79.930  6.2019  -13.37286      7.309362  
1 1 1 -17 65  4  o 16.112  5.8871  116.989    133.818  120.230    140.654  86.060     434.507  16.423  6.0303  23.800  9.9861  -7.377771      11.66565  
1 1 1 -17 65  5  f 13.065  1.7437  94.238     24.059   93.190     24.096   438.162    436.599  12.989  1.7579  29.493  10.655  -16.50414      10.79943  
1 1 1 -17 65  6  f 37.865  3.7985  790.631    153.683  947.602    205.182  590.025    231.954  41.316  4.6669  31.985  6.8984  9.331333       8.328778  
1 1 1 -17 65  7  o 81.328  2.9668  3600.94    261.332  3534.45    368.235  3668.40    370.940  80.242  4.2521  81.765  4.2028  -1.522934      5.978650  
1 1 1 -17 65  8  f 90.167  2.7272  4423.63    266.333  4422.07    407.389  4424.79    351.965  89.865  4.1855  90.019  3.6099  -0.1545792     5.527194  
1 1 1 -17 65  9  o 108.466 3.4804  6422.70    408.879  6157.06    492.888  7008.92    732.206  105.978 4.2940  112.255 6.0445  -6.276833      7.414510  
1 1 1 -17 65  10 o 63.705  3.3717  2221.30    231.814  2591.31    313.158  1772.76    344.790  68.619  4.2343  56.300  5.7343  12.31904       7.128218  
1 1 1 -17 65  11 o 75.704  3.1738  3127.03    260.235  2938.78    360.853  3331.03    375.648  72.956  4.5900  77.723  4.4813  -4.767197      6.414871  
1 1 1 -17 65  12 o 116.140 3.1970  7364.31    402.153  7596.49    569.687  7133.67    567.779  117.502 4.4763  113.813 4.6059  3.688179       6.422774  
1 1 1 -17 65  13 o 77.043  3.2501  3242.83    271.210  3191.42    374.319  3299.65    393.497  75.976  4.5700  77.203  4.7287  -1.226402      6.576122  
1 1 1 -17 65  14 o 27.267  2.1865  406.943    64.031   780.069    260.635  382.976    66.056   36.668  6.8133  26.427  2.3317  10.24166       7.201291  
1 1 1 -17 65  15 o 78.383  3.4193  3366.98    290.292  3642.32    433.503  3143.13    390.869  80.854  4.9743  75.151  4.8276  5.703476       6.931752  
1 1 1 -17 65  16 o 28.145  6.8579  469.924    207.134  405.332    289.325  537.842    296.677  26.415  8.7130  29.786  8.6707  -3.371820      12.29218  
1 1 1 -17 65  17 o 47.522  4.7297  1273.68    240.210  1377.08    350.620  1182.22    329.756  48.417  6.8795  44.723  7.0403  3.693909       9.843454  
1 1 1 -17 65  18 f 31.950  1.6136  556.672    55.657   809.868    331.908  549.347    56.457   35.832  8.6505  31.734  1.6482  4.097958       8.806080  
1 1 1 -17 65  19 o 23.799  7.9785  336.359    242.353  322.605    396.195  344.582    306.354  25.159  9.9035  24.549  8.9170  0.6099396      13.32635  
1 1 1 -17 65  20 o 18.449  8.0972  5.7042     310.909  129.837    398.248  -188.0290  497.523  22.051  9.4187  20.557  9.5031  1.494116       13.37987  
1 1 1 -17 65  21 o 25.229  9.2365  385.922    329.636  255.389    454.984  530.138    478.235  24.393  10.226  28.671  10.993  -4.277912      15.01358  
1 1 1 -17 65  22 o 22.466  8.6852  274.134    300.316  383.493    381.727  96.501     486.503  25.330  9.7920  22.657  10.029  2.672054       14.01635  
1 1 1 -17 65  23 o 21.459  8.6265  224.727    306.864  104.502    390.761  418.153    495.646  21.002  9.1512  26.451  10.841  -5.448967      14.18703  
1 1 1 -17 66  1  o 30.877  10.596  517.147    427.627  0.0000     0.0000   517.147    427.627  ?       ?       30.877  10.596  0.000000       10.59632  
1 1 1 -17 66  2  o 122.904 4.6305  8280.61    616.397  8722.65    864.161  7822.75    879.475  125.307 6.3884  118.408 6.8874  6.898964       9.394032  
1 1 1 -17 66  3  o 69.177  2.2597  2599.15    169.306  2146.18    271.569  2887.15    216.538  62.535  4.0310  72.858  2.7440  -10.32318      4.876310  
1 1 1 -17 66  4  o 80.167  2.9796  3498.39    258.717  3398.67    285.622  3954.18    610.619  78.964  3.3396  84.087  6.7618  -5.122948      7.541512  
1 1 1 -17 66  5  o 139.777 3.3653  10651.76   509.480  10452.70   584.169  11284.29   1041.35  138.307 3.8996  142.438 6.7500  -4.130875      7.795474  
1 1 1 -17 66  6  o 80.480  2.7509  3523.94    239.791  3362.35    310.443  3762.93    377.553  78.475  3.6524  82.801  4.2240  -4.325768      5.584071  
1 1 1 -17 66  7  o 39.419  2.0731  846.119    88.199   836.333    254.999  847.449    94.001   38.334  6.3648  39.435  2.2097  -1.100983      6.737463  
1 1 1 -17 66  8  o 100.345 2.9878  5485.21    324.724  5328.89    456.622  5645.15    461.883  98.602  4.2757  101.506 4.2012  -2.904732      5.994235  
1 1 1 -17 66  9  o 18.407  6.9564  141.821    189.799  15.652     224.073  462.234    357.082  16.717  7.1008  28.869  9.6845  -12.15148      12.00878  
1 1 1 -17 66  10 o 52.069  3.7022  1490.21    207.430  1318.18    275.257  1716.31    315.556  48.564  5.3201  55.486  5.3158  -6.922466      7.520744  
1 1 1 -17 66  11 o 39.013  4.6708  849.562    193.443  1085.27    266.113  585.454    281.691  43.864  5.7390  31.487  8.1843  12.37614       9.995944  
1 1 1 -17 66  12 o 70.961  3.4009  2752.71    261.385  3011.81    371.158  2497.76    368.170  73.782  4.6686  67.020  5.1104  6.761505       6.921873  
1 1 1 -17 66  13 o 114.434 3.2115  7154.79    398.041  7190.83    563.529  7118.92    562.303  114.213 4.5554  113.635 4.5687  0.5782776      6.451703  
1 1 1 -17 66  14 o 87.002  3.2957  4142.10    310.563  4359.40    441.585  3929.42    436.859  88.703  4.6122  84.118  4.8149  4.585335       6.667520  
1 1 1 -17 66  15 o 91.919  3.2792  4629.63    326.474  4507.29    465.280  4748.29    458.208  89.986  4.7911  92.583  4.5694  -2.597061      6.620761  
1 1 1 -17 66  16 o 48.706  4.1911  1323.27    218.942  1403.04    312.190  1246.07    307.134  49.460  5.9468  46.434  6.2670  3.026291       8.639427  
1 1 1 -17 66  17 o 43.333  4.8986  1066.89    225.872  1105.68    343.730  1037.42    299.651  42.745  7.7079  41.828  6.8515  0.9173813      10.31288  
1 1 1 -17 66  18 o 27.194  7.7856  456.339    240.987  298.486    397.028  548.420    303.236  24.873  9.8747  29.463  8.8162  -4.589581      13.23765  
1 1 1 -17 66  19 o 19.146  8.0144  96.322     278.812  142.410    391.347  48.816     397.322  22.240  9.4118  21.103  9.2104  1.136940       13.16863  
1 1 1 -17 66  20 o 38.974  7.3263  933.829    297.910  1132.61    396.483  676.094    451.468  41.813  9.0198  31.498  10.883  10.31457       14.13509  
1 1 1 -17 66  21 o 36.152  8.1648  838.552    312.145  555.439    399.729  1280.98    499.697  28.842  10.221  42.552  10.818  -13.70964      14.88277  
1 1 1 -17 66  22 f 20.195  8.4812  138.270    313.867  -43.8040   372.103  587.261    584.331  18.954  8.5513  29.410  11.875  -10.45566      14.63386  
1 1 1 -17 66  23 o 23.047  8.8292  305.824    308.368  306.690    393.098  304.438    497.221  23.948  9.7156  24.997  10.595  -1.048481      14.37551  
1 1 1 -17 67  1  o 30.735  8.5754  550.358    296.297  619.275    408.311  473.700    430.634  32.770  10.312  30.027  10.612  2.743467       14.79698  
1 1 1 -17 67  2  o 57.223  5.6268  1823.25    344.227  2160.11    473.917  1447.06    500.818  61.820  7.2135  49.583  9.6729  12.23743       12.06646  
1 1 1 -17 67  3  o 65.665  3.2334  2349.89    229.970  2081.54    256.879  3433.24    516.133  61.601  3.8697  78.518  6.1174  -16.91672      7.238577  
1 1 1 -17 67  4  o 93.635  2.7153  4769.59    275.378  4781.94    333.970  4743.36    486.726  93.657  3.2923  92.797  4.8595  0.8606644      5.869772  
1 1 1 -17 67  5  o ?       ?       -106.3907  24.095   -106.7489  24.131   11.911     438.541  ?       ?       22.828  9.8205  0.000000       9.820470  
1 1 1 -17 67  6  o 58.590  3.0910  1875.58    195.455  1762.42    259.810  2023.15    296.674  56.560  4.2726  60.553  4.5569  -3.993004      6.246665  
1 1 1 -17 67  7  o 75.336  3.0039  3092.01    245.113  3222.07    346.621  2961.92    346.663  76.578  4.1951  73.363  4.3828  3.214882       6.066905  
1 1 1 -17 67  8  o 46.681  3.7137  1198.62    186.214  1097.50    258.869  1307.05    268.064  44.235  5.5234  48.419  5.1926  -4.183739      7.580978  
1 1 1 -17 67  9  o 75.620  3.1016  3118.36    254.034  3238.71    344.970  2975.78    375.485  76.743  4.1658  73.384  4.7496  3.358810       6.317643  
1 1 1 -17 67  10 o 55.314  3.5370  1679.46    210.798  1798.77    287.889  1541.57    309.513  56.966  4.7081  52.473  5.5292  4.493481       7.262094  
1 1 1 -17 67  11 o 55.050  3.6446  1665.61    216.078  1769.35    295.851  1547.02    316.338  56.423  4.8894  52.502  5.6520  3.921471       7.473409  
1 1 1 -17 67  12 o 69.181  3.4345  2617.39    257.346  2491.75    364.738  2741.94    363.152  66.938  5.0684  70.329  4.7960  -3.391075      6.977858  
1 1 1 -17 67  13 o 86.964  3.2557  4135.52    306.664  4333.99    437.058  3943.05    430.394  88.501  4.5752  84.342  4.7305  4.158737       6.581040  
1 1 1 -17 67  14 o 82.319  3.2524  3709.62    289.984  3656.90    420.954  3757.23    400.042  81.082  4.8149  82.326  4.5035  -1.243690      6.592789  
1 1 1 -17 67  15 o 37.986  1.8735  784.735    77.081   651.757    312.956  793.323    79.531   32.642  8.6956  38.140  1.9316  -5.497589      8.907580  
1 1 1 -17 67  16 o 53.729  4.0637  1608.77    234.735  1500.02    325.880  1726.04    338.405  51.028  6.0117  54.898  5.7781  -3.869747      8.338243  
1 1 1 -17 67  17 o 57.456  2.2023  1802.14    137.052  1357.59    333.718  1892.33    150.313  48.022  6.5899  58.842  2.3585  -10.81979      6.999221  
1 1 1 -17 67  18 f 29.009  7.2353  515.862    226.568  798.816    377.178  356.125    283.394  34.966  9.6457  24.650  8.6166  10.31640       12.93388  
1 1 1 -17 67  19 o 24.733  8.9974  355.409    312.074  824.477    497.223  50.535     400.861  34.362  11.426  21.139  9.2381  13.22272       14.69371  
1 1 1 -17 67  20 o 44.548  7.0641  1207.86    329.472  1312.49    415.326  1030.23    541.138  45.169  8.8059  37.421  11.882  7.747654       14.78972  
1 1 1 -17 67  21 o 23.577  8.9335  317.098    313.536  290.634    373.515  380.232    576.903  23.772  9.5311  27.093  11.444  -3.320843      14.89338  
1 1 1 -17 67  22 o 15.375  7.1499  -168.9950  288.021  -426.6588  362.184  274.270    475.044  15.160  7.3194  24.476  10.364  -9.315957      12.68842  
1 1 1 -17 67  23 o 17.103  7.6752  -38.8283   295.256  -179.2861  375.671  188.119    477.527  17.540  8.1597  23.358  10.147  -5.818209      13.02112  
1 1 1 -17 68  1  o 87.509  4.6653  4215.91    440.587  4197.23    616.800  4235.37    629.564  86.603  6.6259  86.951  6.7375  -0.3474655     9.449712  
1 1 1 -17 68  2  o 120.703 4.4585  7989.45    582.874  7330.63    799.909  8735.28    851.086  114.666 6.4671  125.453 6.2636  -10.78628      9.003127  
1 1 1 -17 68  3  o 90.238  3.0644  4436.16    299.501  4160.41    344.877  5282.11    604.056  87.280  3.6482  97.583  5.7405  -10.30317      6.801672  
1 1 1 -17 68  4  o 35.997  4.2639  719.473    163.011  744.607    174.161  541.812    463.033  36.581  4.4900  31.581  11.015  4.999487       11.89542  
1 1 1 -17 68  5  o 41.352  4.2977  946.931    189.676  963.256    206.507  858.855    479.663  41.632  4.6596  37.844  11.028  3.787991       11.97164  
1 1 1 -17 68  6  o 48.269  3.4839  1278.44    180.913  1282.83    237.840  1272.40    278.688  48.116  4.6206  47.697  5.4950  0.4189606      7.179502  
1 1 1 -17 68  7  o 56.871  3.2882  1770.39    201.682  1845.66    292.419  1702.09    278.529  57.754  4.7159  55.456  4.6809  2.297684       6.644538  
1 1 1 -17 68  8  o 46.266  3.7941  1178.86    188.451  1132.93    261.769  1228.29    271.519  44.939  5.4923  46.828  5.4556  -1.888226      7.741398  
1 1 1 -17 68  9  o 56.779  2.4752  1753.97    152.217  1794.80    297.520  1739.49    177.159  56.861  4.8782  56.421  2.9090  0.4400749      5.679696  
1 1 1 -17 68  10 o 78.601  2.7056  3364.99    230.334  3191.12    375.099  3470.24    291.836  76.008  4.5777  79.692  3.3811  -3.684258      5.690940  
1 1 1 -17 68  11 o 51.665  2.3130  1451.88    129.435  1329.61    298.717  1480.14    143.618  48.575  5.7920  52.142  2.5430  -3.567490      6.325687  
1 1 1 -17 68  12 o 83.919  2.8230  3840.73    256.596  3503.06    416.004  4048.09    325.997  79.464  4.8568  85.994  3.5001  -6.529716      5.986536  
1 1 1 -17 68  13 o 17.646  6.8952  115.478    190.852  -121.6567  302.125  272.940    246.193  17.101  7.7112  22.807  8.0276  -5.706110      11.13128  
1 1 1 -17 68  14 o 30.276  6.6021  538.662    210.400  640.099    306.269  448.006    289.536  32.481  8.5783  27.558  8.6854  4.923008       12.20751  
1 1 1 -17 68  15 o 27.713  1.2022  416.725    36.087   296.107    297.621  418.525    36.355   23.856  8.7701  27.773  1.2086  -3.917009      8.852941  
1 1 1 -17 68  16 o 36.233  5.7004  761.889    216.315  975.708    305.806  547.765    306.024  40.343  7.2658  29.643  8.8535  10.69979       11.45325  
1 1 1 -17 68  17 o 22.284  2.3722  274.454    56.374   920.315    405.380  261.718    56.927   37.553  9.8459  21.737  2.4613  15.81604       10.14884  
1 1 1 -17 68  18 o 45.548  6.5118  1228.31    312.104  1358.14    392.573  1005.29    514.532  46.974  8.0030  37.947  11.513  9.026299       14.02154  
1 1 1 -17 68  19 o 45.336  7.0005  1240.58    332.682  1117.39    430.878  1422.44    523.498  41.008  9.8290  45.600  10.771  -4.591637      14.58166  
1 1 1 -17 68  20 o 51.432  5.8714  1555.27    321.211  1358.74    436.304  1787.85    474.636  45.604  9.1514  53.011  8.5581  -7.406891      12.52954  
1 1 1 -17 68  21 o 44.550  7.7669  1249.47    361.143  1383.58    499.104  1102.10    523.214  44.383  10.539  38.374  11.603  6.009727       15.67495  
1 1 1 -17 68  22 o 32.624  9.2159  725.379    340.005  479.178    409.868  1268.66    608.853  27.097  10.227  39.736  12.603  -12.63988      16.22995  
1 1 1 -17 69  1  o 29.694  8.6624  512.537    295.822  337.859    408.963  704.237    428.426  27.127  10.221  34.556  10.511  -7.429302      14.66076  
1 1 1 -17 69  2  o 52.402  6.0003  1540.62    334.424  1619.21    457.933  1450.80    489.542  52.964  8.2515  49.617  9.4546  3.347137       12.54903  
1 1 1 -17 69  3  o 39.873  4.1487  879.848    176.547  812.939    191.281  1264.63    458.709  38.186  4.7257  46.236  9.4782  -8.049625      10.59097  
1 1 1 -17 69  4  o 29.922  5.0040  505.584    156.444  564.295    166.645  69.589     454.122  31.643  5.0307  23.888  10.126  7.755186       11.30643  
1 1 1 -17 69  5  o 25.576  5.0454  372.426    134.803  397.523    182.852  342.546    199.516  26.216  6.4773  24.460  7.1078  1.756155       9.616411  
1 1 1 -17 69  6  o 94.838  3.0259  4902.20    310.825  4926.74    435.230  4876.65    444.047  94.785  4.2395  94.271  4.3489  0.5137177      6.073396  
1 1 1 -17 69  7  o 66.141  3.2009  2386.71    229.305  2471.73    321.655  2298.84    326.985  66.934  4.4624  64.470  4.7154  2.463516       6.492196  
1 1 1 -17 69  8  o 125.452 3.1484  8586.75    427.802  8374.15    601.178  8804.83    608.903  123.413 4.4975  126.570 4.4417  -3.157242      6.321071  
1 1 1 -17 69  9  o 67.590  3.2796  2494.74    240.089  2587.33    328.137  2388.06    352.213  68.457  4.4497  65.592  4.9953  2.864586       6.689730  
1 1 1 -17 69  10 o 21.659  6.5655  265.446    167.378  375.268    222.000  120.785    254.791  25.496  7.5231  19.652  7.8746  5.843969       10.89062  
1 1 1 -17 69  11 o 19.919  6.7600  209.936    174.003  296.773    232.619  99.625     262.181  23.319  7.8166  19.404  7.9107  3.914909       11.12111  
1 1 1 -17 69  12 f 43.868  1.6743  1044.91    79.554   536.656    286.666  1087.32    82.806   30.018  8.4561  44.747  1.7086  -14.72896      8.626943  
1 1 1 -17 69  13 o 103.149 3.2130  5824.69    358.957  6064.86    511.447  5591.54    503.921  104.708 4.5097  100.482 4.6303  4.225945       6.463522  
1 1 1 -17 69  14 o 76.293  3.4336  3197.96    283.730  3342.48    408.595  3063.38    394.298  77.281  4.9069  73.950  4.9514  3.330971       6.970935  
1 1 1 -17 69  15 o 17.396  7.0317  95.301     205.098  365.214    304.215  -129.6109  277.699  25.356  8.9237  15.994  7.2834  9.362736       11.51868  
1 1 1 -17 69  16 f 16.739  6.7143  95.171     185.446  -29.8161   264.534  215.951    260.043  16.854  7.4308  21.246  8.1153  -4.391476      11.00342  
1 1 1 -17 69  17 o 19.801  7.5032  188.085    221.188  139.180    392.284  210.881    267.821  22.359  9.4404  21.210  8.2012  1.148956       12.50527  
1 1 1 -17 69  18 o 16.667  7.4294  -49.3642   271.713  65.968     392.875  -155.1082  376.189  21.225  9.2123  18.264  8.3777  2.960485       12.45197  
1 1 1 -17 69  19 o 22.173  8.2010  269.670    260.914  425.283    346.047  64.654     397.197  26.344  9.4909  21.142  9.2187  5.202007       13.23109  
1 1 1 -17 69  20 o 36.541  8.6563  870.223    337.335  409.288    412.024  1807.39    587.504  26.262  10.167  50.764  11.003  -24.50237      14.98114  
1 1 1 -17 69  21 o 27.355  8.9510  493.301    305.578  433.547    392.631  585.099    486.655  26.295  9.9890  29.212  11.115  -2.916910      14.94414  
1 1 1 -17 69  22 o 29.316  9.0154  579.006    314.105  551.379    404.227  621.111    499.026  28.413  10.255  29.667  11.263  -1.254284      15.23224  
1 1 1 -17 70  1  o 126.085 4.6671  8738.71    637.356  8903.63    897.561  8570.97    905.201  126.187 6.5900  123.686 6.7829  2.500984       9.457048  
1 1 1 -17 70  2  o 91.780  4.6624  4641.43    461.950  4854.19    642.592  4413.87    664.554  93.166  6.4070  88.556  6.9853  4.609680       9.478613  
1 1 1 -17 70  3  o 73.586  3.1691  2952.85    252.582  2582.30    285.227  4299.34    543.711  68.595  3.8547  87.927  5.7407  -19.33167      6.914787  
1 1 1 -17 70  4  o 43.068  3.8499  1022.76    177.693  976.300    191.434  1311.96    477.640  41.983  4.2693  46.945  9.7140  -4.962387      10.61081  
1 1 1 -17 70  5  o 74.898  3.2022  3060.28    259.771  3080.99    289.100  2973.49    591.912  75.087  3.5548  72.232  7.6838  2.855530       8.466271  
1 1 1 -17 70  6  o 76.798  3.1114  3216.75    258.805  2796.13    362.836  3652.41    369.261  71.121  4.7374  81.494  4.1978  -10.37277      6.329591  
1 1 1 -17 70  7  o 20.139  6.5505  220.718    163.742  276.745    231.373  164.505    231.759  22.833  7.7949  20.029  7.6587  2.804098       10.92777  
1 1 1 -17 70  8  o 148.033 3.3084  11967.89   530.453  11795.02   746.742  12143.97   753.654  146.329 4.7116  148.492 4.6860  -2.162354      6.645105  
1 1 1 -17 70  9  o 98.175  3.0522  5258.36    324.550  4874.29    454.647  5657.44    463.447  94.130  4.4594  101.494 4.2159  -7.364342      6.136753  
1 1 1 -17 70  10 o 36.987  4.8616  767.768    190.042  716.774    260.646  825.647    277.682  35.068  7.1057  37.716  7.0570  -2.647602      10.01458  
1 1 1 -17 70  11 o 15.958  6.4337  71.260     171.214  154.836    230.250  -32.1106   256.069  19.673  7.6050  16.891  7.3825  2.782139       10.59887  
1 1 1 -17 70  12 o 50.074  4.0758  1389.41    219.139  1394.63    307.823  1384.04    312.038  49.590  5.8432  49.356  5.9575  0.2338219      8.344780  
1 1 1 -17 70  13 o 91.843  2.9393  4614.16    292.387  4528.12    459.589  4672.65    378.971  90.161  4.7228  92.116  3.7984  -1.955574      6.060716  
1 1 1 -17 70  14 o 80.410  3.3146  3553.51    288.673  3794.25    424.404  3346.23    393.801  82.316  4.7808  77.317  4.7252  4.998604       6.721866  
1 1 1 -17 70  15 o 31.299  6.8810  588.431    226.913  687.910    352.035  517.721    296.796  32.881  9.4087  28.897  8.7391  3.984137       12.84112  
1 1 1 -17 70  16 o 18.834  7.5267  132.962    232.106  271.323    393.755  59.284     287.335  24.484  9.7967  18.877  8.0299  5.606939       12.66710  
1 1 1 -17 70  17 o 32.706  8.7649  681.566    316.784  825.115    423.209  498.649    477.731  35.146  10.392  28.927  11.011  6.219236       15.14070  
1 1 1 -17 70  18 o 43.097  7.5546  1138.19    339.780  780.272    454.389  1592.18    511.752  33.747  10.907  49.214  9.9429  -15.46620      14.75870  
1 1 1 -17 70  19 o 49.824  6.8401  1495.62    359.382  1476.33    485.372  1519.03    534.685  47.097  9.8325  46.918  10.752  0.1799049      14.56999  
1 1 1 -17 70  20 o 25.692  8.9804  415.691    307.826  608.822    404.808  150.898    473.997  29.872  10.306  23.259  10.107  6.613697       14.43509  
1 1 1 -17 70  21 o 41.501  7.7970  1091.76    337.604  1178.80    448.130  977.522    513.382  41.129  10.127  35.997  11.589  5.132011       15.39035  
1 1 1 -17 71  1  o 40.134  7.4755  933.416    312.997  883.763    434.954  986.744    450.758  38.276  10.276  40.414  10.275  -2.137730      14.53163  
1 1 1 -17 71  2  o 41.831  7.2536  1008.60    316.734  851.072    433.526  1188.95    463.871  37.579  10.331  44.543  9.8742  -6.964291      14.29071  
1 1 1 -17 71  3  o 38.932  1.3505  821.930    56.947   820.867    57.403   888.046    452.635  38.907  1.3622  38.319  10.565  0.5879402      10.65243  
1 1 1 -17 71  4  o 102.193 3.0258  5693.69    334.915  5717.01    375.824  5603.71    738.162  102.314 3.3914  99.793  6.8713  2.521294       7.662639  
1 1 1 -17 71  5  o 134.026 2.9887  9792.51    433.857  9795.88    558.787  9787.40    688.433  133.755 3.8571  133.313 4.7678  0.4425507      6.132658  
1 1 1 -17 71  6  o 94.182  3.0108  4836.67    307.128  4941.39    430.304  4727.93    438.500  94.895  4.1866  92.770  4.3640  2.124825       6.047516  
1 1 1 -17 71  7  o 90.502  3.0563  4467.54    299.590  4892.64    417.667  4017.02    429.969  94.445  4.0830  85.289  4.6723  9.155571       6.204915  
1 1 1 -17 71  8  o 50.787  4.4111  1428.56    240.236  1287.98    433.826  1490.73    288.512  46.667  8.9079  51.663  5.2280  -4.995541      10.32872  
1 1 1 -17 71  9  o 187.738 3.8267  19322.25   778.127  19096.21   1097.26  19550.93   1103.64  185.471 5.4622  187.694 5.4289  -2.223145      7.701152  
1 1 1 -17 71  10 o 171.767 3.6515  16171.14   679.338  16343.20   956.456  15995.97   965.060  171.672 5.1439  169.757 5.2488  1.915375       7.349123  
1 1 1 -17 71  11 o 79.590  3.1616  3464.35    272.546  3451.34    377.283  3478.55    394.147  78.954  4.4298  79.192  4.6152  -0.2377853     6.397140  
1 1 1 -17 71  12 o 54.121  4.0057  1622.97    233.141  1581.09    339.272  1660.44    320.915  52.663  6.0585  54.197  5.5450  -1.534763      8.212914  
1 1 1 -17 71  13 o 60.871  3.6108  2046.81    236.998  1941.89    346.036  2139.52    325.260  58.522  5.5246  61.737  4.9047  -3.214554      7.387638  
1 1 1 -17 71  14 o 60.409  2.7384  1998.13    179.170  2483.22    370.298  1849.84    204.730  66.226  5.2044  57.900  3.2781  8.326084       6.150708  
1 1 1 -17 71  15 o 47.311  4.5465  1262.83    230.103  1434.10    355.140  1138.91    302.089  49.274  6.8389  43.989  6.5395  5.285030       9.462316  
1 1 1 -17 71  16 o 47.147  2.3544  1215.09    120.228  871.097    475.229  1238.62    124.271  35.899  11.097  47.528  2.4221  -11.62959      11.35856  
1 1 1 -17 71  17 o 49.315  5.6991  1410.89    298.801  1563.10    403.178  1225.41    445.055  50.727  7.5698  43.309  9.7258  7.418308       12.32448  
1 1 1 -17 71  18 o 16.286  7.1852  -22.3331   247.738  -102.6506  326.813  86.166     379.845  17.488  7.9397  21.128  9.1141  -3.639635      12.08738  
1 1 1 -17 71  19 o 29.057  8.3251  543.608    275.457  545.784    369.016  540.869    413.954  28.783  9.8441  28.735  10.376  0.4783249E-01  14.30297  
1 1 1 -17 71  20 o 41.745  8.2201  1116.43    358.437  1221.58    447.822  928.977    597.925  42.206  9.9573  34.654  12.477  7.551987       15.96290  
1 1 1 -17 71  21 o 16.960  7.6718  -70.9649   301.790  109.587    398.206  -314.6164  462.585  21.381  9.2772  18.449  8.7302  2.931692       12.73905  
1 1 1 -17 72  1  o 36.355  2.0789  720.409    81.521   715.149    82.950   869.202    441.151  36.217  2.1239  37.904  10.422  -1.687641      10.63584  
1 1 1 -17 72  2  o 93.297  4.6509  4790.03    469.975  4740.16    653.269  4843.54    676.636  91.856  6.6104  92.770  6.7810  -0.9142532     9.469958  
1 1 1 -17 72  3  o 123.371 4.6738  8377.42    624.529  8147.69    873.113  8618.11    893.681  120.471 6.7182  123.932 6.6825  -3.461281      9.475715  
1 1 1 -17 72  4  o 94.400  2.9864  4858.48    305.347  4511.17    341.143  6257.77    684.754  90.858  3.4666  105.914 5.9937  -15.05555      6.924010  
1 1 1 -17 72  5  o 169.761 3.2110  15729.37   590.394  15753.16   761.894  15693.61   934.049  169.447 4.1514  168.561 5.1161  0.8859253      6.588541  
1 1 1 -17 72  6  o 112.571 2.9907  6910.16    364.647  7044.53    509.834  6769.44    521.750  113.299 4.1546  110.998 4.3399  2.300858       6.007957  
1 1 1 -17 72  7  o 42.307  4.3233  993.545    195.325  1137.84    271.904  839.685    280.771  44.922  5.7180  38.078  7.0680  6.843494       9.091314  
1 1 1 -17 72  8  o 76.829  4.6722  3266.76    386.944  3669.39    545.634  2859.41    548.825  80.758  6.2875  70.785  7.2613  9.973305       9.605211  
1 1 1 -17 72  9  o 132.458 3.2356  9591.44    464.198  9400.79    647.745  9792.72    665.569  130.523 4.5819  133.199 4.6134  -2.675995      6.502129  
1 1 1 -17 72  10 o 107.402 2.9855  6300.95    347.293  6151.62    497.518  6442.87    485.012  105.614 4.3493  108.177 4.1395  -2.563087      6.004321  
1 1 1 -17 72  11 o 75.572  3.2304  3127.84    264.415  3280.89    369.144  2966.57    378.927  76.894  4.4514  72.952  4.8229  3.941757       6.563158  
1 1 1 -17 72  12 o 88.025  3.2143  4249.46    306.448  3883.28    433.128  4616.51    433.638  83.371  4.8171  91.255  4.3874  -7.883919      6.515631  
1 1 1 -17 72  13 o 39.002  5.1342  867.072    211.613  863.714    299.877  870.403    298.658  37.894  7.5712  38.073  7.5093  -0.1786804     10.66361  
1 1 1 -17 72  14 o 5.0698  2.2862  -13.8265   26.559   272.418    291.075  -16.2296   26.670   23.044  8.6344  4.9824  2.2644  18.06188       8.926377  
1 1 1 -17 72  15 o 45.486  5.4922  1190.01    265.104  1489.71    460.465  1041.42    324.231  48.761  9.0520  41.507  7.4876  7.254131       11.74742  
1 1 1 -17 72  16 o 45.733  7.1600  1255.02    343.025  1562.04    479.406  932.948    491.022  49.613  9.2621  36.900  11.259  12.71365       14.57893  
1 1 1 -17 72  17 o 36.602  8.0143  837.132    308.910  1270.42    400.748  202.729    484.916  44.945  8.5446  24.577  10.443  20.36775       13.49294  
1 1 1 -17 72  18 o 19.328  8.0024  119.644    273.674  227.836    336.186  -92.9117   471.213  22.451  9.0279  20.866  9.4966  1.584652       13.10300  
1 1 1 -17 72  19 f 22.164  8.5076  259.413    286.665  214.189    354.691  344.595    486.787  22.361  9.1683  25.982  10.707  -3.621286      14.09613  
1 1 1 -17 72  20 o 19.904  8.5739  85.370     335.181  -127.3242  485.788  278.633    463.064  20.522  9.4527  24.627  10.320  -4.105122      13.99473  
1 1 1 -17 72  21 o 22.901  8.8640  287.291    313.104  178.866    416.392  428.361    474.958  22.602  9.6419  26.776  10.743  -4.173838      14.43566  
1 1 1 -17 73  1  o 19.537  8.1402  67.318     285.754  182.505    397.164  -56.3037   411.447  24.152  9.7771  21.168  9.3022  2.983608       13.49527  
1 1 1 -17 73  2  o 107.242 4.6259  6330.00    537.319  6714.34    753.335  5932.00    766.606  109.490 6.3801  102.581 6.9406  6.908936       9.427493  
1 1 1 -17 73  3  f 110.894 4.3085  6754.40    517.487  6766.68    775.411  6744.53    694.869  109.814 6.5491  110.020 5.8523  -0.2052994     8.782950  
1 1 1 -17 73  4  o 22.201  6.0379  283.500    149.028  221.719    157.923  786.104    450.429  20.080  6.4236  36.094  10.732  -16.01361      12.50785  
1 1 1 -17 73  5  o 125.228 2.7754  8544.33    376.435  8169.96    483.624  9119.79    599.598  122.183 3.6545  128.832 4.2970  -6.649933      5.640885  
1 1 1 -17 73  6  o 43.750  1.5212  1038.51    72.082   1073.94    75.291   649.217    249.555  44.487  1.5626  33.355  7.1242  11.13237       7.293534  
1 1 1 -17 73  7  o 84.450  2.7139  3886.58    248.236  3804.63    397.659  3938.90    317.750  83.007  4.4392  84.850  3.4575  -1.843208      5.626764  
1 1 1 -17 73  8  o 17.877  7.5717  31.615     253.619  156.825    357.917  -94.6564   359.432  22.745  9.2545  19.190  8.5500  3.555300       12.59951  
1 1 1 -17 73  9  o 79.956  3.0905  3494.15    267.638  3949.08    372.239  3007.27    385.084  84.721  4.0566  73.531  4.8626  11.18994       6.332538  
1 1 1 -17 73  10 o 79.968  3.1589  3500.09    273.599  3405.30    382.922  3598.95    391.062  78.319  4.5335  80.536  4.5012  -2.216583      6.388552  
1 1 1 -17 73  11 o 72.182  2.5506  2843.62    199.406  2322.33    341.416  3113.50    245.661  64.380  4.9338  75.416  3.0075  -11.03585      5.778162  
1 1 1 -17 73  12 o 29.848  6.2926  525.068    197.021  395.003    276.176  659.859    281.150  25.923  8.5108  32.918  7.9705  -6.995045      11.66036  
1 1 1 -17 73  13 o 46.278  4.4811  1204.91    221.798  1361.27    314.795  1050.77    312.557  48.466  6.1342  42.021  7.1218  6.444725       9.399349  
1 1 1 -17 73  14 o 25.033  7.6590  376.984    227.033  522.483    365.859  285.868    289.521  29.067  9.8026  23.290  8.6339  5.777308       13.06273  
1 1 1 -17 73  15 o 27.079  8.5207  451.582    278.774  412.190    423.768  481.635    370.142  27.189  10.366  28.092  9.8459  -0.9025040     14.29659  
1 1 1 -17 73  16 o 28.540  8.6569  513.345    290.923  930.166    444.223  200.313    384.965  37.144  10.548  23.050  9.5128  14.09429       14.20437  
1 1 1 -17 73  17 o 48.506  6.0222  1380.75    309.581  1693.95    432.464  1051.57    443.366  52.475  7.8502  39.434  10.277  13.04119       12.93183  
1 1 1 -17 73  18 o 35.222  8.3878  796.111    315.403  799.840    472.122  793.106    423.864  33.673  11.131  33.873  10.482  -0.1996346     15.28977  
1 1 1 -17 73  19 o 29.132  8.3812  551.212    278.659  363.280    374.258  785.010    417.436  25.095  9.6972  33.468  10.410  -8.373489      14.22668  
1 1 1 -17 73  20 o 27.789  9.4511  509.714    340.119  568.959    419.954  396.768    579.840  29.002  10.455  27.278  11.495  1.723360       15.53838  
1 1 1 -17 74  1  o 97.416  4.6273  5228.12    488.231  5287.02    687.029  5168.03    693.950  96.924  6.5835  95.740  6.7351  1.184631       9.418228  
1 1 1 -17 74  2  o 138.217 4.8782  10544.16   730.283  11199.91   1002.96  9804.18    1065.42  141.387 6.5495  131.406 7.5170  9.980438       9.969960  
1 1 1 -17 74  3  o 78.831  3.1629  3392.74    270.057  2938.49    307.228  4936.60    566.391  73.113  3.8937  94.141  5.5797  -21.02773      6.803932  
1 1 1 -17 74  4  o 74.262  3.1156  3010.53    250.597  2946.81    276.852  3299.50    589.567  73.399  3.4824  76.129  7.2372  -2.729210      8.031476  
1 1 1 -17 74  5  o 35.526  2.4104  689.964    92.200   1013.34    251.446  639.732    99.103   42.354  5.6200  34.160  2.7006  8.194645       6.235172  
1 1 1 -17 74  6  o 34.941  4.7977  686.312    176.779  609.126    238.768  779.952    262.990  32.268  7.0306  36.663  6.8753  -4.395535      9.833540  
1 1 1 -17 74  7  o 17.815  6.6460  141.040    172.087  218.898    242.754  62.392     243.985  21.458  7.9156  18.135  7.5359  3.322924       10.92914  
1 1 1 -17 74  8  o 38.920  7.4348  889.184    301.984  982.490    405.526  773.031    452.460  40.145  9.4783  35.425  10.807  4.720264       14.37485  
1 1 1 -17 74  9  o 46.988  4.0953  1225.85    206.341  1399.82    282.829  1027.89    301.704  49.834  5.3223  42.058  6.8596  7.776215       8.682263  
1 1 1 -17 74  10 o 15.295  6.3260  47.398     170.773  18.742     239.148  77.213     243.941  17.058  7.2926  18.275  7.5599  -1.217443      10.50394  
1 1 1 -17 74  11 o 54.442  3.7042  1641.34    217.122  1673.21    297.609  1605.08    317.467  54.440  5.1070  53.092  5.6055  1.347679       7.583035  
1 1 1 -17 74  12 o 73.705  2.7604  2974.85    220.363  3212.78    378.714  2853.06    270.956  75.708  4.6409  71.948  3.4770  3.759682       5.798934  
1 1 1 -17 74  13 o 53.538  3.9546  1597.84    227.692  1762.13    334.687  1456.29    310.664  55.443  5.6525  50.277  5.8121  5.165646       8.107444  
1 1 1 -17 74  14 o 63.592  4.2320  2262.55    289.820  2693.08    482.174  2019.03    362.640  67.878  6.6437  59.277  5.7193  8.600754       8.766312  
1 1 1 -17 74  15 o 23.771  8.7022  312.298    292.596  306.141    395.121  319.773    435.392  24.976  9.8714  25.719  10.298  -0.7425270     14.26503  
1 1 1 -17 74  16 o 27.116  9.1408  456.800    318.129  294.703    442.051  630.947    458.188  25.265  10.283  30.996  10.947  -5.730381      15.01913  
1 1 1 -17 74  17 o 60.058  6.0138  2111.76    385.937  1935.22    540.149  2295.89    551.627  54.636  9.4711  60.337  8.6917  -5.701859      12.85483  
1 1 1 -17 74  18 o 32.599  9.3099  707.808    345.027  1175.58    481.871  215.696    494.250  40.998  10.728  24.492  10.478  16.50591       14.99557  
1 1 1 -17 74  19 o 30.549  9.0181  620.059    318.938  753.534    484.813  518.222    423.475  32.393  11.273  28.166  10.442  4.227377       15.36605  
1 1 1 -17 74  20 o 57.411  6.0267  1952.25    369.164  2114.44    499.930  1757.75    547.456  57.770  8.2218  50.521  10.353  7.249008       13.22027  
1 1 1 -17 75  1  o 94.412  4.6658  4918.54    477.113  5253.64    672.141  4578.20    677.369  96.563  6.4639  89.803  7.0199  6.760323       9.542582  
1 1 1 -17 75  2  o 195.971 6.2903  21511.89   1335.17  20522.26   2170.12  22114.66   1693.66  185.190 10.867  196.762 7.9472  -11.57140      13.46278  
1 1 1 -17 75  3  o 141.413 4.8730  11054.42   746.379  11493.14   1048.86  10604.35   1062.34  142.841 6.7795  136.708 7.2000  6.132629       9.889492  
1 1 1 -17 75  4  o 116.819 2.6239  7435.51    331.997  7544.73    422.201  7258.56    537.401  117.461 3.3186  114.826 4.3210  2.634407       5.448352  
1 1 1 -17 75  5  o 56.916  3.3098  1777.61    203.154  1836.85    280.112  1711.87    295.078  57.536  4.5316  55.397  4.9708  2.139511       6.726379  
1 1 1 -17 75  6  o 35.609  4.7678  713.042    179.269  529.421    241.896  936.773    267.011  29.917  7.4840  40.410  6.3065  -10.49321      9.786806  
1 1 1 -17 75  7  o 16.288  6.4897  84.661     172.051  52.052     243.511  117.167    243.124  17.880  7.4876  19.145  7.6849  -1.265282      10.72943  
1 1 1 -17 75  8  o 24.721  8.7657  327.791    294.071  414.613    373.778  186.743    476.408  27.527  9.8695  25.339  10.530  2.187120       14.43229  
1 1 1 -17 75  9  o 18.422  6.7677  161.872    177.188  196.911    241.980  121.367    260.170  20.754  7.8520  19.573  7.9168  1.181320       11.15029  
1 1 1 -17 75  10 o 40.780  4.4150  933.425    191.896  1014.25    262.070  839.998    281.762  41.968  5.9306  37.618  7.1773  4.350376       9.310505  
1 1 1 -17 75  11 f 58.956  3.5649  1923.28    226.564  1929.83    311.371  1915.90    330.283  58.481  4.9627  58.102  5.3069  0.3786583      7.265783  
1 1 1 -17 75  12 o 43.420  4.4012  1060.78    204.124  1134.23    295.711  993.916    282.118  44.051  6.3839  41.108  6.5565  2.942875       9.151077  
1 1 1 -17 75  13 o 70.222  2.9530  2707.32    224.600  2978.01    498.390  2638.34    251.597  71.568  6.5005  69.184  3.3576  2.383118       7.316394  
1 1 1 -17 75  14 o 27.547  8.2024  468.914    262.967  715.132    384.071  251.628    360.801  33.164  9.9215  23.626  9.4027  9.538258       13.66923  
1 1 1 -17 75  15 o 41.319  6.7833  1019.76    293.033  962.994    424.707  1071.33    404.830  38.108  10.120  40.764  9.3660  -2.655022      13.78861  
1 1 1 -17 75  16 f 29.014  8.2409  532.792    271.104  991.309    377.591  44.935     389.484  39.155  9.0800  20.837  9.1062  18.31725       12.85962  
1 1 1 -17 75  17 o 31.402  8.7344  640.111    307.882  589.156    469.699  678.497    407.679  29.894  11.013  31.633  10.338  -1.739038      15.10534  
1 1 1 -17 75  18 o 14.851  6.8781  -156.9037  262.462  -169.1341  364.206  -143.6901  378.563  17.599  8.1340  18.210  8.3715  -0.6101608     11.67238  
1 1 1 -17 75  19 o 31.344  9.1818  656.532    331.754  933.436    436.928  279.561    509.799  36.405  10.501  25.303  10.727  11.10210       15.01128  
1 1 1 -17 76  1  o 82.437  4.8122  3771.98    427.807  3727.38    600.624  3817.91    609.494  80.913  6.9201  81.886  6.9373  -0.9735260     9.798655  
1 1 1 -17 76  2  o 109.154 4.6487  6582.59    549.587  6870.48    770.441  6284.32    784.210  110.327 6.4758  105.198 6.9213  5.128830       9.478428  
1 1 1 -17 76  3  o 18.949  6.2330  194.808    148.102  115.596    157.164  822.863    442.544  16.662  6.3222  36.545  10.576  -19.88271      12.32163  
1 1 1 -17 76  4  o 52.871  2.9870  1531.56    170.351  1502.12    223.167  1572.67    263.701  52.124  3.9831  53.155  4.6265  -1.030815      6.104836  
1 1 1 -17 76  5  o 37.778  4.2032  795.632    169.068  1061.70    231.540  491.743    247.449  43.472  5.0092  28.780  7.7608  14.69190       9.236959  
1 1 1 -17 76  6  o 29.686  5.6193  507.840    174.059  690.819    234.282  282.412    260.041  34.451  6.5173  23.202  8.2412  11.24968       10.50681  
1 1 1 -17 76  7  o 37.976  1.9284  786.266    79.059   881.979    264.415  776.869    82.849   38.999  6.4878  37.734  2.0347  1.265469       6.799338  
1 1 1 -17 76  8  f 32.339  1.8749  570.626    65.388   563.235    387.213  570.843    66.340   30.547  10.080  32.341  1.9023  -1.793758      10.25781  
1 1 1 -17 76  9  f 65.090  2.5216  2313.43    177.771  2084.01    333.275  2404.67    210.167  60.814  5.1070  66.265  2.9282  -5.451630      5.886978  
1 1 1 -17 76  10 o 23.309  6.7529  321.285    180.335  173.506    237.645  521.908    276.894  19.985  7.7260  29.178  8.3427  -9.192822      11.37065  
1 1 1 -17 76  11 o 16.245  6.5099  86.965     174.145  -4.0264    234.121  199.658    260.548  16.365  7.1073  20.993  8.0970  -4.627253      10.77381  
1 1 1 -17 76  12 o 53.526  4.4288  1608.52    254.449  1506.21    405.637  1674.89    326.723  50.050  7.7319  54.034  5.6670  -3.983803      9.586292  
1 1 1 -17 76  13 o 72.489  4.7145  2959.58    368.137  2732.04    497.560  3234.81    547.224  68.225  6.8250  74.231  6.8846  -6.006233      9.694242  
1 1 1 -17 76  14 o 36.373  7.8526  816.287    300.295  1001.38    405.914  592.517    446.319  39.297  9.6154  30.493  10.800  8.804323       14.46048  
1 1 1 -17 76  15 o 57.245  5.3480  1882.40    327.747  1811.38    424.233  1987.54    516.187  54.827  7.3274  56.324  8.7450  -1.497478      11.40900  
1 1 1 -17 76  16 o 28.385  8.4346  512.557    278.273  755.455    347.758  80.160     463.988  33.947  9.2197  22.634  9.9139  11.31340       13.53840  
1 1 1 -17 76  17 o 18.513  8.1592  1.1786     318.636  230.409    443.326  -243.7819  458.284  24.033  10.086  19.172  8.9503  4.860834       13.48429  
1 1 1 -17 76  18 o 18.891  8.0930  69.297     295.619  219.310    377.333  -169.1076  475.682  22.796  9.4139  20.097  9.2911  2.699051       13.22673  
1 1 1 -17 76  19 o 15.602  7.1748  -133.7911  278.327  65.294     395.869  -328.4032  391.397  20.926  9.1619  16.812  7.9773  4.114239       12.14812  
1 1 1 -17 77  1  o 29.568  1.5940  476.083    50.859   478.433    51.229   314.975    424.170  29.640  1.6017  26.450  10.295  3.190586       10.41868  
1 1 1 -17 77  2  o 80.645  4.8833  3621.30    424.531  3709.00    592.561  3528.82    608.511  80.568  6.8556  78.333  7.2546  2.235291       9.981442  
1 1 1 -17 77  3  o 54.659  3.6811  1648.06    216.660  1420.03    240.805  2617.13    496.422  50.502  4.4478  67.562  6.8799  -17.06012      8.192422  
1 1 1 -17 77  4  o 58.645  2.8732  1879.10    182.505  1797.47    234.960  2003.26    289.780  57.042  3.8252  60.016  4.4905  -2.973537      5.898831  
1 1 1 -17 77  5  o 50.332  2.1209  1378.76    115.622  1336.86    270.451  1388.13    127.899  48.704  5.2076  50.475  2.3395  -1.771389      5.709007  
1 1 1 -17 77  6  o 71.359  3.2196  2790.96    248.844  2642.78    341.704  2958.29    363.108  68.868  4.6076  72.872  4.6245  -4.003601      6.528087  
1 1 1 -17 77  7  o 52.262  3.7045  1511.44    208.336  1503.28    291.799  1519.93    297.548  51.553  5.3014  51.807  5.3812  -0.2542763     7.553963  
1 1 1 -17 77  8  o 30.009  8.8321  552.358    306.319  406.803    391.171  783.126    492.538  27.251  10.049  34.906  11.361  -7.655087      15.16764  
1 1 1 -17 77  9  o 47.624  3.9268  1262.93    200.746  1337.47    278.956  1182.87    289.112  48.443  5.4090  45.244  6.0513  3.198524       8.116389  
1 1 1 -17 77  10 o 38.914  4.8199  859.556    198.799  673.516    280.029  1048.59    282.274  33.175  7.9056  42.381  6.3444  -9.206787      10.13659  
1 1 1 -17 77  11 o 78.915  3.0365  3419.93    259.538  3163.29    545.443  3495.04    295.085  73.532  6.9304  79.629  3.4214  -6.096962      7.728931  
1 1 1 -17 77  12 o 20.095  7.8338  175.023    245.906  168.224    321.413  184.621    381.878  21.545  8.7685  22.978  9.4780  -1.432823      12.91203  
1 1 1 -17 77  13 o 44.924  6.2716  1182.93    296.836  1313.01    393.678  1011.54    451.895  46.233  8.1601  39.011  10.474  7.222172       13.27781  
1 1 1 -17 77  14 o 39.489  6.8048  933.579    280.537  945.948    404.324  922.097    389.565  37.985  9.7716  37.636  9.5431  0.3489685      13.65854  
1 1 1 -17 77  15 o 30.250  8.2660  579.865    278.530  595.315    407.197  566.280    381.829  30.175  10.341  29.569  10.014  0.6058369      14.39483  
1 1 1 -17 77  16 o 33.876  8.0898  727.423    292.737  530.713    427.370  901.295    401.797  28.784  10.520  36.591  9.8986  -7.807581      14.44498  
1 1 1 -17 77  17 o 44.919  6.3878  1206.19    302.024  1372.48    415.911  1020.67    439.302  46.309  8.6090  38.434  10.331  7.874947       13.44757  
1 1 1 -17 77  18 o 69.271  5.3465  2776.21    398.037  2659.47    592.034  2872.50    537.700  64.604  8.6805  68.586  7.3529  -3.982315      11.37614  
1 1 1 -17 78  1  o 32.607  8.5914  646.892    307.670  532.541    431.632  765.007    438.677  30.254  10.631  34.941  10.637  -4.687277      15.03884  
1 1 1 -17 78  2  o 43.745  7.1307  1119.78    326.211  1213.78    451.833  1017.43    471.458  44.317  9.6838  40.060  10.674  4.257748       14.41178  
1 1 1 -17 78  3  o ?       ?       -250.2537  23.048   -283.8210  31.328   -210.6470  34.030   ?       ?       ?       ?       0.000000       ?         
1 1 1 -17 78  4  o 13.978  5.4899  67.870     121.489  79.927     157.059  49.910     191.693  15.606  6.2059  16.086  6.6817  -0.4803009     9.119151  
1 1 1 -17 78  5  o 9.5198  4.5885  -209.2559  140.924  -107.8953  198.420  -312.4266  200.184  13.504  6.1524  11.132  5.3905  2.372648       8.179832  
1 1 1 -17 78  6  o 26.422  6.3449  412.459    179.293  603.367    247.724  202.445    259.824  31.719  7.3538  21.181  8.1068  10.53890       10.94524  
1 1 1 -17 78  7  o 43.070  4.3337  1039.76    199.418  956.328    272.813  1135.48    292.225  40.482  6.4375  44.255  6.2721  -3.772930      8.987812  
1 1 1 -17 78  8  o 22.945  8.6933  257.720    296.881  -156.8068  377.209  932.454    481.252  18.598  8.4770  37.688  11.064  -19.08983      13.93823  
1 1 1 -17 78  9  o 57.662  3.6775  1843.06    228.481  1755.98    305.823  1953.07    343.731  55.678  5.1290  58.562  5.4829  -2.884956      7.507931  
1 1 1 -17 78  10 o 71.197  3.8590  2814.14    296.467  2571.91    506.711  2940.22    365.568  66.094  7.1945  72.361  4.6896  -6.266533      8.587960  
1 1 1 -17 78  11 o 58.134  5.2262  1921.64    325.554  2101.49    459.317  1740.08    461.496  59.548  7.2727  53.497  8.2283  6.050526       10.98165  
1 1 1 -17 78  12 o 49.484  5.6576  1411.30    297.778  1440.71    399.556  1374.55    446.604  48.730  7.8359  46.691  9.1584  2.038319       12.05309  
1 1 1 -17 78  13 o 41.948  6.6711  1045.46    292.947  921.520    388.441  1208.92    446.095  37.717  9.5106  43.161  9.7701  -5.444252      13.63470  
1 1 1 -17 78  14 o 59.326  5.3515  2020.77    340.164  1795.37    453.805  2309.82    513.912  54.091  7.9861  61.520  7.8948  -7.428600      11.22971  
1 1 1 -17 78  15 o 54.699  5.9906  1750.73    349.105  1806.85    476.516  1685.70    512.908  53.702  8.4735  50.832  9.6694  2.870323       12.85682  
1 1 1 -17 78  16 f 34.981  8.5788  789.865    322.557  1085.46    435.990  432.441    479.425  40.025  10.067  27.378  10.857  12.64761       14.80569  
1 1 1 -17 78  17 f 20.600  8.2179  187.817    276.192  185.853    340.991  191.562    470.937  21.734  8.9595  23.885  10.223  -2.151419      13.59357  
1 1 1 -17 79  1  o 24.427  8.8150  319.668    298.683  284.549    419.438  355.798    425.429  25.560  10.149  26.820  10.346  -1.259373      14.49275  
1 1 1 -17 79  2  o 71.204  5.1650  2852.18    395.621  2711.21    552.993  2999.97    566.227  67.940  7.6479  71.670  7.4008  -3.730438      10.64254  
1 1 1 -17 79  3  o 134.316 4.8389  10063.95   703.956  10799.00   988.866  9308.71    1002.36  137.368 6.6463  126.629 7.3399  10.73973       9.901883  
1 1 1 -17 79  4  o 81.588  2.6749  3638.74    236.372  3357.81    303.336  4073.03    377.156  78.086  3.5866  85.801  4.0584  -7.715363      5.416140  
1 1 1 -17 79  5  o 12.188  5.4118  -41.4951   142.759  -49.0138   192.753  -32.3598   212.467  14.180  6.2926  15.201  6.6822  -1.021636      9.178712  
1 1 1 -17 79  6  o 57.748  3.5189  1843.35    219.045  1853.34    304.402  1832.62    315.445  57.345  4.9495  56.919  5.1732  0.4252396      7.159587  
1 1 1 -17 79  7  o 36.862  1.6631  738.757    66.400   762.392    68.260   322.672    286.407  37.445  1.6831  24.209  8.6436  13.23564       8.805953  
1 1 1 -17 79  8  o 36.886  5.8613  789.233    226.333  668.331    338.685  886.797    304.244  32.635  9.1906  38.363  7.5910  -5.727993      11.92021  
1 1 1 -17 79  9  o 49.346  4.8362  1376.10    255.154  1464.58    420.391  1324.50    321.052  49.143  8.1861  47.691  6.3750  1.451908       10.37556  
1 1 1 -17 79  10 o 24.414  8.4609  341.924    272.963  107.446    368.822  625.901    405.890  21.608  9.1403  31.380  10.318  -9.771902      13.78462  
1 1 1 -17 79  11 o 21.845  8.1877  241.473    261.777  291.572    370.187  191.362    370.231  24.510  9.5959  22.835  9.3654  1.675604       13.40864  
1 1 1 -17 79  12 o 20.389  8.1274  167.756    269.962  -46.4459   377.592  391.740    386.118  19.644  8.7571  26.433  9.9367  -6.788490      13.24475  
1 1 1 -17 79  13 o 29.930  8.2332  563.409    275.253  797.122    361.290  240.085    424.945  35.036  9.3477  24.282  10.005  10.75442       13.69219  
1 1 1 -17 79  14 o 57.233  5.1797  1877.47    317.604  2046.83    449.180  1708.14    449.140  58.291  7.2728  52.535  8.1580  5.756542       10.92917  
1 1 1 -17 79  15 o 24.425  8.4274  359.288    270.659  812.050    393.868  -45.8099   372.560  34.720  9.9571  19.286  8.6406  15.43420       13.18345  
1 1 1 -17 79  16 o 38.563  7.5636  923.896    304.627  1457.08    446.585  459.924    416.592  47.503  9.0095  27.354  10.314  20.14937       13.69457  
1 1 1 -17 79  17 o 28.976  8.7623  545.478    298.388  851.750    436.501  276.813    408.825  34.917  10.607  24.197  9.8732  10.72025       14.49078  
1 1 1 -17 80  1  o 57.662  5.8138  1900.32    358.140  1575.26    503.179  2234.08    509.861  50.272  9.5911  61.311  7.8588  -11.03871      12.39957  
1 1 1 -17 80  2  o 8.5918  3.1665  32.138     38.832   40.697     39.004   -934.0803  414.405  9.1312  3.1964  14.041  6.9816  -4.909433      7.678557  
1 1 1 -17 80  3  o 44.235  4.1040  1092.82    194.388  875.017    212.738  2194.46    478.441  39.196  5.1346  61.066  7.3836  -21.87028      8.993478  
1 1 1 -17 80  4  o 89.447  2.5879  4373.22    250.713  4481.15    391.728  4298.33    326.297  89.959  4.0204  88.378  3.4088  1.580559       5.270988  
1 1 1 -17 80  5  o 83.979  3.0661  3869.96    278.888  4082.68    387.629  3641.67    401.554  85.780  4.1722  80.680  4.6144  5.099571       6.220899  
1 1 1 -17 80  6  o 50.799  4.2521  1442.48    231.803  1007.87    367.776  1728.93    298.576  40.430  8.6596  55.312  5.0392  -14.88172      10.01905  
1 1 1 -17 80  7  o 22.471  7.3950  289.523    208.460  51.912     320.982  462.845    274.141  19.757  8.4478  27.580  8.4119  -7.823030      11.92162  
1 1 1 -17 80  8  o 59.374  4.3540  1972.32    278.045  2376.19    449.416  1721.86    353.908  63.946  6.5829  54.627  6.0849  9.318741       8.964437  
1 1 1 -17 80  9  o 13.743  6.3934  -176.8750  230.662  167.070    342.562  -462.1642  311.988  22.003  9.0146  13.830  6.7049  8.173444       11.23474  
1 1 1 -17 80  10 o 31.307  7.9585  605.642    270.448  299.507    389.631  890.264    375.692  24.950  9.8211  37.352  9.3173  -12.40253      13.53761  
1 1 1 -17 80  11 o 24.736  8.4237  360.233    270.195  545.071    384.698  180.279    379.581  29.478  10.051  22.791  9.4292  6.687340       13.78180  
1 1 1 -17 80  12 o 42.220  6.9097  1066.95    305.036  815.693    429.049  1323.76    433.763  34.908  10.496  45.664  9.0898  -10.75562      13.88502  
1 1 1 -17 80  13 o 52.678  5.7255  1609.47    321.416  1743.55    431.409  1442.20    481.868  53.530  7.6591  47.025  9.7795  6.505177       12.42178  
1 1 1 -17 80  14 o 29.985  8.4990  574.461    288.663  847.895    379.582  199.451    444.530  35.793  9.5953  23.833  10.055  11.95986       13.89902  
1 1 1 -17 80  15 o 23.465  8.5988  314.438    285.785  344.685    371.786  270.755    446.796  24.983  9.6620  24.709  10.227  0.2731590      14.06941  
1 1 1 -17 80  16 o 19.720  8.3251  102.994    304.997  695.208    409.536  -634.5163  457.022  31.932  10.358  16.380  7.9808  15.55137       13.07604  
1 1 1 -17 81  1  f 87.067  7.0001  4410.44    654.553  0.0000     0.0000   4410.44    654.553  ?       ?       87.067  7.0001  0.000000       7.000148  
1 1 1 -17 81  2  o 105.807 6.8496  6483.45    780.748  0.0000     0.0000   6483.45    780.748  ?       ?       105.807 6.8496  0.000000       6.849588  
1 1 1 -17 81  3  o 43.369  10.486  1213.69    487.151  0.0000     0.0000   1213.69    487.151  ?       ?       43.369  10.486  0.000000       10.48623  
1 1 1 -17 81  4  o 17.608  6.9096  119.743    192.294  0.0000     0.0000   119.743    192.294  ?       ?       17.608  6.9096  0.000000       6.909577  
1 1 1 -17 81  5  o 43.245  4.4369  1051.27    204.875  1222.94    308.330  915.550    274.147  45.838  6.3837  39.440  6.6544  6.397308       9.221341  
1 1 1 -17 81  6  o 18.731  6.8840  171.988    183.359  -25.2012   286.343  309.042    238.721  17.667  7.7621  23.311  7.9180  -5.643505      11.08799  
1 1 1 -17 81  7  o 33.319  7.1970  668.414    252.133  631.703    360.005  703.758    353.231  31.620  9.6387  33.337  9.3851  -1.716488      13.45301  
1 1 1 -17 81  8  o 47.147  5.5310  1274.86    277.073  1442.31    407.929  1131.44    377.516  48.811  7.9927  42.870  8.4307  5.940823       11.61729  
1 1 1 -17 81  9  o 17.335  7.5051  9.6940     259.451  101.273    360.025  -89.2507   374.224  21.288  9.0192  19.141  8.6111  2.147388       12.46988  
1 1 1 -17 81  10 o 20.947  7.8537  218.687    240.895  16.696     327.646  456.343    355.397  19.265  8.3872  27.518  9.6477  -8.253288      12.78368  
1 1 1 -17 81  11 o 23.617  8.1827  322.891    255.300  124.127    343.260  568.955    381.925  21.143  8.8737  29.863  10.016  -8.720282      13.38126  
1 1 1 -17 81  12 o 19.761  7.9128  154.326    257.076  368.338    340.419  -129.6987  392.169  25.385  9.3717  18.967  8.6444  6.418108       12.74972  
1 1 1 -17 81  13 o 49.735  6.0423  1449.16    318.800  1726.47    426.934  1099.65    479.298  53.223  7.6239  40.028  10.804  13.19482       13.22314  
1 1 1 -17 81  14 o 25.815  8.2831  415.186    262.430  478.218    373.629  353.811    368.684  27.599  9.8705  25.170  9.6513  2.429367       13.80485  
1 1 1 -17 81  15 o 53.919  5.5693  1688.46    320.562  1762.36    456.148  1616.34    450.591  53.148  8.1869  50.592  8.5262  2.556564       11.82033  
1 1 1 -17 82  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 82  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 82  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 82  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 82  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 82  6  o 26.979  8.8462  438.661    298.403  0.0000     0.0000   438.661    298.403  ?       ?       26.979  8.8462  0.000000       8.846180  
1 1 1 -17 82  7  o 33.756  6.8501  681.646    241.888  1075.97    370.910  389.835    319.075  41.719  8.4972  25.930  9.1376  15.78905       12.47785  
1 1 1 -17 82  8  o 18.235  7.4126  106.075    229.362  20.090     345.862  173.576    306.439  19.811  8.6212  21.341  8.6060  -1.530029      12.18145  
1 1 1 -17 82  9  o 97.112  4.4229  5271.72    465.209  5566.99    670.604  4997.81    645.901  98.022  6.3506  92.743  6.4706  5.278725       9.066367  
1 1 1 -17 82  10 o 54.133  5.2761  1676.47    305.418  1674.01    423.273  1679.14    441.134  52.623  7.6504  52.445  8.0210  0.1782150      11.08442  
1 1 1 -17 82  11 o 20.304  7.9310  184.263    252.434  334.389    339.169  -2.1732    377.966  24.725  9.3094  20.113  8.8742  4.611492       12.86142  
1 1 1 -17 82  12 o 31.262  7.6384  607.520    256.434  695.507    372.327  528.118    353.694  32.486  9.7800  28.778  9.6386  3.707783       13.73134  
1 1 1 -17 82  13 o 16.830  7.4197  -18.9983   263.724  325.129    344.240  -507.9450  410.329  24.425  9.3353  16.114  7.7824  8.311647       12.15380  
1 1 1 -17 82  14 o 20.345  8.2205  165.142    280.204  -41.5469   367.203  453.263    433.546  19.224  8.5980  27.507  10.485  -8.282709      13.55973  
1 1 1 -17 82  15 o 21.233  8.4157  205.380    287.937  -74.0722   374.828  607.693    449.739  18.993  8.5745  30.234  10.827  -11.24085      13.81146  
1 1 1 -17 83  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 83  9  o 72.215  6.6070  3054.46    511.047  0.0000     0.0000   3054.46    511.047  ?       ?       72.215  6.6070  0.000000       6.607010  
1 1 1 -17 83  10 o 30.987  7.8448  597.202    263.542  755.147    364.248  423.687    381.779  34.070  9.5088  26.892  9.9254  7.177795       13.74522  
1 1 1 -17 83  11 o 25.422  8.5542  391.961    278.599  345.082    358.273  463.670    443.107  25.093  9.5396  27.987  10.616  -2.894379      14.27280  
1 1 1 -17 83  12 o 18.098  7.6688  64.446     260.345  56.405     345.458  75.016     396.080  20.046  8.6695  21.366  9.2617  -1.320280      12.68622  
1 1 1 -17 83  13 o 45.470  6.9726  1246.24    332.435  1200.43    468.270  1292.78    472.022  42.156  10.335  43.988  10.118  -1.831974      14.46353  
1 1 1 -17 83  14 o 31.698  8.5309  645.505    299.341  429.270    397.130  929.994    455.514  26.815  10.078  36.630  10.767  -9.814886      14.74786  
1 1 1 -17 84  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 84  12 o 29.671  10.517  570.023    423.278  0.0000     0.0000   570.023    423.278  ?       ?       29.671  10.517  0.000000       10.51701  
1 1 1 -17 84  13 o 80.559  7.3909  3913.61    637.697  0.0000     0.0000   3913.61    637.697  ?       ?       80.559  7.3909  0.000000       7.390913  
1 1 1 -17 85  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 85  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 86  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 87  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 88  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 89  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 90  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 90  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 90  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 90  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -17 90  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 0   3  o 240.195 8.9206  31444.22   2313.49  31444.22   2313.49  31444.22   2313.49  240.195 8.9206  240.195 8.9206  0.000000       0.000000  
1 1 1 -16 0   4  o 22.714  12.087  402.732    402.602  402.732    402.602  402.732    402.602  22.714  12.087  22.714  12.087  0.000000       0.000000  
1 1 1 -16 0   5  o 223.720 8.4596  27278.71   2043.20  27278.71   2043.20  27278.71   2043.20  223.720 8.4596  223.720 8.4596  0.000000       0.000000  
1 1 1 -16 0   6  o 542.208 12.803  160284.91  7509.49  160284.91  7509.49  160284.91  7509.49  542.208 12.803  542.208 12.803  0.000000       0.000000  
1 1 1 -16 0   7  o 79.195  3.8899  3422.69    331.826  3422.69    331.826  3422.69    331.826  79.195  3.8899  79.195  3.8899  0.000000       0.000000  
1 1 1 -16 0   8  o 231.288 6.0951  29066.92   1524.47  29066.92   1524.47  29066.92   1524.47  231.288 6.0951  231.288 6.0951  0.000000       0.000000  
1 1 1 -16 0   9  o 19.148  8.3902  285.430    181.553  285.430    181.553  285.430    181.553  19.148  8.3902  19.148  8.3902  0.000000       0.000000  
1 1 1 -16 0   10 o 119.271 4.3002  7739.29    553.876  7739.29    553.876  7739.29    553.876  119.271 4.3002  119.271 4.3002  0.000000       0.000000  
1 1 1 -16 0   11 o 31.089  7.9469  616.593    231.325  616.593    231.325  616.593    231.325  31.089  7.9469  31.089  7.9469  0.000000       0.000000  
1 1 1 -16 0   12 o 346.673 8.4839  65400.60   3181.25  65400.60   3181.25  65400.60   3181.25  346.673 8.4839  346.673 8.4839  0.000000       0.000000  
1 1 1 -16 0   13 o 41.431  5.5629  979.857    236.990  979.857    236.990  979.857    236.990  41.431  5.5629  41.431  5.5629  0.000000       0.000000  
1 1 1 -16 0   14 o 240.487 6.3041  31446.17   1639.48  31446.17   1639.48  31446.17   1639.48  240.487 6.3041  240.487 6.3041  0.000000       0.000000  
1 1 1 -16 0   15 o 165.888 4.9459  14962.87   886.866  14962.87   886.866  14962.87   886.866  165.888 4.9459  165.888 4.9459  0.000000       0.000000  
1 1 1 -16 0   16 o 155.632 4.8138  13173.34   809.679  13173.34   809.679  13173.34   809.679  155.632 4.8138  155.632 4.8138  0.000000       0.000000  
1 1 1 -16 0   17 o 37.092  7.5455  833.534    268.247  833.534    268.247  833.534    268.247  37.092  7.5455  37.092  7.5455  0.000000       0.000000  
1 1 1 -16 0   18 o 128.868 4.5948  9044.76    639.481  9044.76    639.481  9044.76    639.481  128.868 4.5948  128.868 4.5948  0.000000       0.000000  
1 1 1 -16 0   19 o 213.189 5.7956  24762.94   1336.00  24762.94   1336.00  24762.94   1336.00  213.189 5.7956  213.189 5.7956  0.000000       0.000000  
1 1 1 -16 0   20 o 36.786  7.5765  824.334    266.603  824.334    266.603  824.334    266.603  36.786  7.5765  36.786  7.5765  0.000000       0.000000  
1 1 1 -16 0   21 o 18.468  9.7953  271.622    263.662  271.622    263.662  271.622    263.662  18.468  9.7953  18.468  9.7953  0.000000       0.000000  
1 1 1 -16 0   22 f 57.057  5.4098  1821.89    327.415  1821.89    327.415  1821.89    327.415  57.057  5.4098  57.057  5.4098  0.000000       0.000000  
1 1 1 -16 0   23 o 43.436  6.0894  1089.75    270.336  1089.75    270.336  1089.75    270.336  43.436  6.0894  43.436  6.0894  -0.000000      0.000000  
1 1 1 -16 0   24 o 25.829  10.681  520.952    296.724  520.952    296.724  520.952    296.724  25.829  10.681  25.829  10.681  -0.000000      0.000000  
1 1 1 -16 0   25 o 34.491  9.6306  795.349    311.286  795.349    311.286  795.349    311.286  34.491  9.6306  34.491  9.6306  0.000000       0.000000  
1 1 1 -16 0   26 f 84.069  4.8341  3907.78    436.841  3907.78    436.841  3907.78    436.841  84.069  4.8341  84.069  4.8341  0.000000       0.000000  
1 1 1 -16 0   27 o 80.162  5.2229  3577.68    449.052  3577.68    449.052  3577.68    449.052  80.162  5.2229  80.162  5.2229  -0.000000      0.000000  
1 1 1 -16 0   28 o 40.177  9.3176  1041.45    352.714  1041.45    352.714  1041.45    352.714  40.177  9.3176  40.177  9.3176  -0.000000      0.000000  
1 1 1 -16 0   29 o 136.176 5.0981  10303.11   749.545  10303.11   749.545  10303.11   749.545  136.176 5.0981  136.176 5.0981  0.000000       0.000000  
1 1 1 -16 0   30 o 50.671  7.4695  1559.49    383.798  1559.49    383.798  1559.49    383.798  50.671  7.4695  50.671  7.4695  -0.000000      0.000000  
1 1 1 -16 0   31 o 18.530  11.913  207.046    547.230  207.046    547.230  207.046    547.230  18.530  11.913  18.530  11.913  -0.000000      0.000000  
1 1 1 -16 0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 1   2  o 139.107 6.4246  10504.16   967.978  0.0000     0.0000   10504.16   967.978  ?       ?       139.107 6.4246  0.000000       6.424577  
1 1 1 -16 1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 1   4  o 151.508 6.5160  12461.95   1069.27  12461.95   1069.27  0.0000     0.0000   151.508 6.5160  ?       ?       0.000000       6.516015  
1 1 1 -16 1   5  o 140.165 3.6945  10648.12   560.873  11164.19   955.746  10377.03   692.693  143.418 6.1528  138.337 4.6231  5.080353       7.696058  
1 1 1 -16 1   6  o 128.201 3.0450  8905.85    422.820  8386.79    594.532  9437.05    601.445  124.370 4.4136  131.935 4.2089  -7.564857      6.098705  
1 1 1 -16 1   7  o 317.547 5.5562  54718.18   1910.99  54822.79   2701.62  54613.43   2703.47  317.531 7.8554  316.920 7.8759  0.6101990      11.12374  
1 1 1 -16 1   8  o 76.643  2.8494  3182.93    236.535  3030.90    333.788  3336.27    335.239  74.652  4.1445  78.347  3.9635  -3.694786      5.734614  
1 1 1 -16 1   9  o 339.077 5.9032  62420.11   2167.99  62348.16   3065.13  62492.13   3066.88  338.455 8.3614  338.847 8.3565  -0.3915405     11.82131  
1 1 1 -16 1   10 o 252.154 4.6152  34488.59   1260.46  34610.98   1781.03  34365.77   1784.09  252.399 6.5150  251.499 6.5495  0.8999939      9.238058  
1 1 1 -16 1   11 o 145.288 3.2533  11441.02   511.949  11202.51   723.602  11680.06   724.408  143.702 4.6491  146.738 4.5580  -3.035904      6.510697  
1 1 1 -16 1   12 o 96.616  2.5926  5058.11    271.302  4827.91    351.822  5395.83    426.127  94.371  3.4420  99.752  3.9441  -5.380547      5.234817  
1 1 1 -16 1   13 o 186.826 3.7189  18925.89   752.530  18966.41   1062.18  18885.05   1066.30  186.911 5.2468  186.506 5.2786  0.4041443      7.442612  
1 1 1 -16 1   14 o 345.222 5.9750  64769.75   2234.12  64863.96   3159.52  64675.54   3159.52  344.862 8.4587  344.357 8.4711  0.5047913      11.97122  
1 1 1 -16 1   15 o 258.095 4.6934  36162.90   1312.02  34843.96   1855.19  37482.65   1855.76  253.010 6.7699  262.462 6.5281  -9.452026      9.404628  
1 1 1 -16 1   16 o 329.123 5.7420  58900.86   2046.86  60203.41   2895.25  57599.29   2894.15  332.093 8.0493  324.773 8.2276  7.319550       11.51016  
1 1 1 -16 1   17 o 165.216 3.4817  14808.60   623.033  15188.44   886.898  14438.53   875.418  167.176 4.8981  162.990 4.9589  4.186417       6.970082  
1 1 1 -16 1   18 o 195.668 3.8537  20789.20   816.712  21329.57   1158.84  20255.94   1151.21  197.939 5.4053  192.873 5.5108  5.065872       7.719198  
1 1 1 -16 1   19 o 58.706  3.5738  1878.77    226.154  2019.18    329.591  1753.84    310.889  60.675  5.0615  56.508  5.1357  4.167355       7.210670  
1 1 1 -16 1   20 o 180.367 3.6699  17688.42   716.930  17624.55   1014.06  17752.24   1013.73  179.678 5.2107  180.333 5.1901  -0.6554260     7.354491  
1 1 1 -16 1   21 o 166.887 3.5472  15155.90   641.175  14266.79   901.941  16064.26   911.654  161.486 5.1567  171.438 4.9097  -9.952271      7.120143  
1 1 1 -16 1   22 o 92.055  3.0926  4610.06    308.347  4492.70    430.427  4733.79    441.938  90.669  4.3830  93.070  4.3841  -2.400803      6.199273  
1 1 1 -16 1   23 o 34.698  5.7995  681.136    210.261  386.264    299.233  968.715    295.509  26.662  8.8641  41.247  6.8552  -14.58491      11.20565  
1 1 1 -16 1   24 o 15.911  6.7097  22.283     197.764  59.946     280.387  -15.0021   278.978  19.306  8.0553  18.025  7.7932  1.281239       11.20811  
1 1 1 -16 1   25 o 7.7311  2.9672  21.767     34.866   515.008    293.120  14.689     35.115   29.607  8.6186  7.3449  2.9302  22.26237       9.103083  
1 1 1 -16 1   26 o 23.678  7.4235  319.734    211.818  240.184    301.041  397.733    298.092  23.041  8.7481  26.526  8.8485  -3.485170      12.44292  
1 1 1 -16 1   27 o 51.767  4.5599  1496.61    253.060  1025.79    368.881  1915.19    347.809  41.195  8.5475  58.193  5.5869  -16.99727      10.21142  
1 1 1 -16 1   28 f 43.895  5.3111  1096.64    247.367  1116.98    354.845  1077.41    345.020  43.125  7.8875  42.380  7.8040  0.7455292      11.09576  
1 1 1 -16 1   29 o 42.696  5.9088  1061.07    265.923  954.313    389.326  1154.43    364.086  38.534  9.4098  43.366  8.0478  -4.832561      12.38186  
1 1 1 -16 1   30 o 16.659  7.2015  29.045     238.162  -170.0707  337.747  225.970    335.885  16.815  7.7932  22.110  8.9770  -5.294781      11.88783  
1 1 1 -16 1   31 f 26.293  10.322  461.709    429.322  456.444    560.267  469.197    668.198  26.823  11.301  27.492  11.973  -0.6686687     16.46438  
1 1 1 -16 1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 2   1  f 198.225 5.3921  21314.62   1157.68  0.0000     0.0000   21314.62   1157.68  ?       ?       198.225 5.3921  0.000000       5.392124  
1 1 1 -16 2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 2   3  o 459.206 15.631  115801.30  7774.42  115801.30  7774.42  0.0000     0.0000   459.206 15.631  ?       ?       0.000000       15.63113  
1 1 1 -16 2   4  o 235.375 8.7187  30136.28   2222.70  30136.28   2222.70  0.0000     0.0000   235.375 8.7187  ?       ?       0.000000       8.718680  
1 1 1 -16 2   5  o 187.799 4.2871  19120.72   872.026  18183.75   1500.07  19598.98   1071.72  182.927 7.5712  190.083 5.2055  -7.156723      9.188049  
1 1 1 -16 2   6  o 183.456 3.6326  18241.44   721.811  16856.40   1013.98  19664.33   1027.75  176.271 5.3110  190.408 4.9835  -14.13631      7.282994  
1 1 1 -16 2   7  o 129.507 3.0577  9088.52    428.899  9433.95    607.014  8744.14    606.096  131.908 4.2487  126.988 4.4067  4.919731       6.121294  
1 1 1 -16 2   8  o 259.614 4.7032  36555.99   1322.49  35121.92   1870.30  37990.00   1870.26  254.262 6.7914  264.471 6.5291  -10.20959      9.420855  
1 1 1 -16 2   9  o 132.307 3.0367  9486.28    435.165  9519.91    614.825  9452.53    616.008  132.498 4.2842  132.027 4.3078  0.4707336      6.075484  
1 1 1 -16 2   10 o 201.698 3.9305  22057.40   858.665  22459.32   1214.61  21655.85   1214.06  203.412 5.5130  199.732 5.6121  3.679977       7.866938  
1 1 1 -16 2   11 o 158.465 3.3930  13611.52   582.354  13961.09   673.627  12577.35   1158.62  160.464 3.8759  152.095 7.0333  8.369278       8.030524  
1 1 1 -16 2   12 o 136.488 3.1763  10097.15   469.552  10400.79   544.102  9211.23    929.379  138.507 3.6269  130.009 6.6220  8.497681       7.550218  
1 1 1 -16 2   13 o 257.365 4.6775  35941.55   1303.86  35590.49   1843.77  36292.74   1844.11  255.847 6.6536  258.368 6.5899  -2.521576      9.364657  
1 1 1 -16 2   14 o 253.217 4.6388  34797.84   1272.23  33811.19   1800.39  35781.87   1798.01  249.318 6.6672  256.513 6.4716  -7.195450      9.291567  
1 1 1 -16 2   15 o 458.487 7.7666  114605.80  3856.81  114180.50  5454.91  115031.00  5453.79  456.081 11.043  457.801 10.999  -1.719696      15.58583  
1 1 1 -16 2   16 o 289.036 5.1315  45389.61   1606.44  45432.73   2271.20  45346.45   2272.50  288.703 7.2633  288.426 7.2744  0.2770996      10.27975  
1 1 1 -16 2   17 o 184.855 3.7298  18543.28   746.777  18763.61   1061.89  18327.68   1050.41  185.760 5.2778  183.589 5.2825  2.171234       7.467303  
1 1 1 -16 2   18 o 55.853  3.6662  1700.71    220.553  1743.72    321.459  1662.46    303.161  56.352  5.3301  55.038  5.1453  1.314236       7.408396  
1 1 1 -16 2   19 o 136.643 3.2435  10136.18   480.040  10130.48   684.992  10141.68   672.926  136.432 4.6355  136.519 4.5510  -0.8764648E-01 6.496104  
1 1 1 -16 2   20 o 76.138  3.1325  3148.51    258.321  3450.04    366.807  2851.82    363.853  79.487  4.2763  72.184  4.6791  7.303055       6.338840  
1 1 1 -16 2   21 o 100.647 3.0899  5506.05    336.831  5756.86    470.238  5241.75    482.710  102.751 4.2254  97.993  4.5480  4.757660       6.207893  
1 1 1 -16 2   22 o 49.609  2.2919  1336.14    123.151  1445.71    290.773  1312.19    135.945  51.056  5.3370  49.081  2.5662  1.975708       5.921934  
1 1 1 -16 2   23 f 55.379  4.0013  1684.24    238.389  1703.06    339.962  1666.03    334.371  55.283  5.7623  54.681  5.7309  0.6018333      8.126968  
1 1 1 -16 2   24 o 86.005  3.3022  4035.75    307.608  3723.98    436.022  4344.68    434.031  82.105  4.9259  88.837  4.5258  -6.732613      6.689334  
1 1 1 -16 2   25 o 64.487  3.7405  2284.66    260.142  2194.34    369.539  2373.40    366.274  62.679  5.4989  65.298  5.2226  -2.618797      7.583752  
1 1 1 -16 2   26 o 28.196  7.0488  468.055    214.685  285.857    304.474  648.201    302.754  24.059  8.8666  32.871  8.4554  -8.811745      12.25196  
1 1 1 -16 2   27 o 41.281  2.1767  930.433    96.979   912.217    101.533  1119.96    327.503  40.853  2.3040  43.731  7.1624  -2.877708      7.523908  
1 1 1 -16 2   28 o 45.710  5.0764  1183.34    247.081  1083.48    358.091  1274.07    341.359  42.350  8.1020  46.594  6.9789  -4.244595      10.69333  
1 1 1 -16 2   29 f 24.508  7.9044  359.569    238.752  169.445    341.164  542.049    334.235  21.879  8.9837  29.321  9.3415  -7.441957      12.96036  
1 1 1 -16 2   30 o 19.234  7.6725  161.790    240.742  61.531     343.372  258.720    337.623  19.715  8.5847  22.701  9.0757  -2.985464      12.49265  
1 1 1 -16 2   31 o 20.553  9.1896  49.384     419.155  215.739    548.170  -184.8076  650.405  24.056  10.647  22.023  10.400  2.033621       14.88340  
1 1 1 -16 2   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 3   1  o 415.334 9.9899  93952.50   4493.94  95333.34   6356.15  92572.32   6354.62  417.212 14.066  411.058 14.273  6.154297       20.03917  
1 1 1 -16 3   2  o 234.019 6.0635  29720.47   1536.89  27437.75   2168.92  32022.58   2178.10  224.579 8.9167  242.693 8.2861  -18.11394      12.17238  
1 1 1 -16 3   3  o 91.269  5.7310  4537.42    563.657  4537.42    563.657  0.0000     0.0000   91.269  5.7310  ?       ?       0.000000       5.731009  
1 1 1 -16 3   4  o 162.061 4.7638  14242.04   836.190  15634.87   1186.95  12869.67   1178.20  169.706 6.4575  153.932 7.0668  15.77388       9.572811  
1 1 1 -16 3   5  o 114.983 4.1781  7167.36    520.335  7368.22    737.957  6968.76    733.789  116.376 5.8736  113.157 6.0087  3.219223       8.402593  
1 1 1 -16 3   6  o 93.138  3.4367  4701.23    346.686  3975.96    576.998  5110.98    433.702  85.349  6.2860  97.096  4.1240  -11.74696      7.518035  
1 1 1 -16 3   7  o 97.313  2.9770  5131.37    313.775  4993.67    430.583  5287.29    458.191  95.972  4.1423  98.749  4.2839  -2.777290      5.959081  
1 1 1 -16 3   8  o 194.851 3.8258  20581.87   807.409  20672.83   1143.03  20491.28   1140.67  195.183 5.4069  194.323 5.4196  0.8598785      7.655449  
1 1 1 -16 3   9  o 177.655 3.5995  17108.16   692.613  17181.88   978.800  17034.24   980.207  177.955 5.0782  177.187 5.1076  0.7681122      7.202491  
1 1 1 -16 3   10 f 147.136 3.2680  11733.58   520.801  11628.28   737.012  11838.60   736.035  146.413 4.6476  147.734 4.5999  -1.320694      6.539018  
1 1 1 -16 3   11 o 127.536 3.0435  8815.14    420.410  9024.24    487.497  8208.39    830.430  129.025 3.4884  122.762 6.2664  6.262505       7.171932  
1 1 1 -16 3   12 f 110.343 2.9934  6598.74    357.747  6418.23    415.472  7116.35    703.533  108.807 3.5254  114.476 5.6741  -5.668533      6.680173  
1 1 1 -16 3   13 o 145.133 3.2598  11418.07   512.420  11604.78   727.517  11234.25   721.858  146.246 4.5929  143.890 4.6318  2.356003       6.522930  
1 1 1 -16 3   14 o 98.663  2.9553  5276.24    315.811  5963.98    441.951  4558.62    451.449  104.863 3.8912  91.654  4.5477  13.20898       5.985207  
1 1 1 -16 3   15 o 371.131 6.3477  74928.17   2551.62  73636.13   3608.53  76220.23   3608.54  367.060 9.0766  373.503 8.9201  -6.443329      12.72605  
1 1 1 -16 3   16 o 150.882 3.3450  12345.69   546.648  11341.35   774.744  13341.43   771.421  144.495 4.9503  156.756 4.5436  -12.26144      6.719366  
1 1 1 -16 3   17 o 153.380 3.3839  12761.74   562.161  12191.42   801.702  13313.41   788.493  149.771 4.9421  156.543 4.6504  -6.772263      6.786100  
1 1 1 -16 3   18 o 207.407 4.0118  23364.27   901.225  22705.96   1275.14  24021.31   1273.91  204.148 5.7669  210.014 5.6004  -5.865677      8.038766  
1 1 1 -16 3   19 o 33.969  5.3153  643.801    189.146  774.201    278.460  532.094    257.728  36.970  7.2131  30.550  7.7707  6.419947       10.60253  
1 1 1 -16 3   20 o 72.431  2.6614  2847.16    208.791  3664.31    355.906  2418.36    257.817  82.061  4.0043  66.602  3.5872  15.45957       5.376126  
1 1 1 -16 3   21 o 148.544 3.4495  12004.54   554.979  12844.64   755.889  11022.07   817.437  153.394 4.5497  141.889 5.3191  11.50551       6.999413  
1 1 1 -16 3   22 o 171.090 3.5909  15949.83   665.419  15171.82   938.543  16736.19   943.565  166.304 5.2105  174.762 4.9849  -8.458298      7.210995  
1 1 1 -16 3   23 o 146.675 3.4037  11726.66   540.719  12139.36   767.281  11319.49   762.131  148.773 4.7617  143.608 4.8998  5.165039       6.832397  
1 1 1 -16 3   24 o 160.282 3.5392  14032.29   614.417  15355.04   872.264  12729.65   865.606  167.058 4.8207  151.879 5.2620  15.17892       7.136380  
1 1 1 -16 3   25 o 32.684  6.3147  615.468    215.453  558.683    308.391  669.610    301.131  30.748  8.8085  33.610  8.3172  -2.861988      12.11468  
1 1 1 -16 3   26 o 27.128  7.1842  433.250    214.434  490.746    306.444  378.087    300.164  28.855  8.9099  26.077  8.8785  2.777658       12.57837  
1 1 1 -16 3   27 o 28.314  1.2090  434.873    37.076   440.478    37.362   73.461     300.030  28.495  1.2106  19.767  8.2963  8.728067       8.384142  
1 1 1 -16 3   28 f 64.654  4.0772  2322.81    284.050  2281.78    399.451  2364.78    404.003  63.212  5.9026  64.385  5.8574  -1.172943      8.315663  
1 1 1 -16 3   29 o 42.977  5.5222  1066.09    251.105  848.584    362.045  1267.70    348.569  36.414  9.1816  45.977  7.2390  -9.563286      11.69214  
1 1 1 -16 3   30 o 37.509  7.0177  870.492    274.620  842.288    392.707  897.485    384.177  34.799  9.9303  36.181  9.6326  -1.381874      13.83466  
1 1 1 -16 3   31 o 30.022  10.194  661.547    395.659  442.639    573.541  860.320    546.527  26.720  11.355  32.502  11.894  -5.781940      16.44403  
1 1 1 -16 3   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 4   1  o 147.335 3.5743  11764.35   570.377  11471.59   697.064  12357.51   992.216  145.461 4.4244  150.899 6.0708  -5.437592      7.512027  
1 1 1 -16 4   2  o 36.655  3.9985  736.952    156.173  674.687    183.976  897.529    295.448  34.917  5.0081  40.066  7.0666  -5.148449      8.661238  
1 1 1 -16 4   3  o 332.534 8.1689  60115.32   2942.17  58997.59   4158.70  61235.38   4163.02  328.769 11.679  334.992 11.474  -6.222717      16.37191  
1 1 1 -16 4   4  o 259.191 6.6113  36474.95   1855.99  34500.39   2622.90  38455.14   2626.64  251.717 9.6205  265.825 9.1229  -14.10829      13.25827  
1 1 1 -16 4   5  o 229.488 5.9918  28582.38   1489.31  26540.90   2102.32  30639.02   2110.12  220.867 8.7882  237.377 8.2072  -16.51016      12.02460  
1 1 1 -16 4   6  o 191.769 5.3152  19951.03   1104.00  19292.23   1558.77  20614.11   1563.83  188.399 7.6389  194.767 7.4131  -6.368179      10.64463  
1 1 1 -16 4   7  o 139.070 3.2241  10481.10   485.638  10142.05   673.356  10848.64   701.074  136.756 4.5460  141.439 4.5764  -4.682404      6.450549  
1 1 1 -16 4   8  o 149.450 3.2719  12104.62   529.627  11979.03   741.662  12235.31   756.571  148.618 4.6075  150.198 4.6507  -1.579254      6.546579  
1 1 1 -16 4   9  f 114.046 2.9266  7048.11    361.500  7229.13    512.538  6868.92    509.949  115.467 4.0982  112.551 4.1832  2.916351       5.856163  
1 1 1 -16 4   10 o 293.224 4.6451  46639.45   1475.25  46976.40   1905.11  46134.75   2331.54  294.122 5.9803  291.267 7.3906  2.855591       9.507109  
1 1 1 -16 4   11 o 217.033 4.1192  25543.69   968.298  24958.64   1118.67  27291.63   1933.62  214.480 4.8155  223.917 7.9728  -9.437698      9.314267  
1 1 1 -16 4   12 o 257.997 4.6866  36114.52   1309.61  36012.50   1512.44  36420.23   2618.05  257.550 5.4218  258.365 9.3556  -0.8150635     10.81315  
1 1 1 -16 4   13 f 221.466 4.2140  26604.34   1010.80  26143.27   1168.02  27979.58   2017.22  219.475 4.9136  226.607 8.2189  -7.131973      9.575641  
1 1 1 -16 4   14 o 25.484  5.6908  366.782    153.109  285.227    215.474  449.954    217.599  23.244  7.5105  28.210  7.1210  -4.965313      10.34972  
1 1 1 -16 4   15 o 104.190 2.9987  5884.79    338.402  5389.86    481.320  6368.57    475.873  99.652  4.4594  108.343 4.0553  -8.691200      6.027564  
1 1 1 -16 4   16 o 135.683 3.2502  9983.01    477.650  9625.19    683.154  10325.23   668.095  133.130 4.7377  137.908 4.4728  -4.777222      6.515532  
1 1 1 -16 4   17 o 74.941  3.0837  3045.72    250.297  3553.46    359.165  2566.31    349.000  80.798  4.1178  68.564  4.7285  12.23390       6.270133  
1 1 1 -16 4   18 o 84.661  3.0239  3888.06    277.286  4088.22    397.628  3698.58    386.876  86.744  4.2322  82.386  4.3510  4.358566       6.069858  
1 1 1 -16 4   19 o 185.342 3.7382  18664.17   750.429  18005.66   1061.67  19321.68   1060.87  181.723 5.3940  188.292 5.2019  -6.568497      7.493618  
1 1 1 -16 4   20 o 164.094 3.5032  14636.07   622.626  14627.92   881.587  14644.19   879.469  163.744 4.9708  163.839 4.9560  -0.9468079E-01 7.019371  
1 1 1 -16 4   21 o 118.440 3.1378  7625.94    402.519  7786.25    564.779  7460.44    573.825  119.465 4.3648  116.906 4.5318  2.559662       6.291999  
1 1 1 -16 4   22 o 55.768  3.6717  1702.34    220.542  1676.41    303.990  1731.15    320.447  55.056  5.1579  55.910  5.3573  -0.8543053     7.436726  
1 1 1 -16 4   23 o 70.467  3.4993  2707.71    267.075  2849.63    382.091  2572.12    373.460  71.884  4.9375  68.239  5.0896  3.645241       7.091010  
1 1 1 -16 4   24 o 52.755  4.2027  1534.78    238.145  994.614    341.159  2048.12    332.581  41.361  7.9037  60.753  5.1015  -19.39244      9.407104  
1 1 1 -16 4   25 o 68.211  3.6291  2553.29    267.150  2772.00    383.390  2346.88    372.461  70.659  5.0427  64.885  5.3475  5.773682       7.350144  
1 1 1 -16 4   26 o 57.758  4.1797  1846.29    259.704  2314.24    387.004  1462.91    350.289  64.170  5.6250  50.566  6.5497  13.60387       8.633609  
1 1 1 -16 4   27 o 81.073  3.4998  3610.06    307.318  3882.08    443.297  3358.35    426.422  83.365  4.9315  77.430  5.1135  5.935600       7.103987  
1 1 1 -16 4   28 o 29.698  7.6202  533.492    246.325  760.071    361.887  337.890    336.239  34.824  9.3831  25.236  9.3145  9.588423       13.22131  
1 1 1 -16 4   29 o 22.172  7.7486  276.148    229.164  313.871    337.424  243.852    312.215  24.403  9.2625  22.674  8.8304  1.729322       12.79727  
1 1 1 -16 4   30 o 49.792  5.2402  1443.91    278.363  1636.32    385.928  1235.26    401.886  51.623  7.0895  43.353  8.8581  8.269875       11.34576  
1 1 1 -16 4   31 o 26.705  11.900  368.999    696.596  368.999    696.596  0.0000     0.0000   26.705  11.900  ?       ?       0.000000       11.90030  
1 1 1 -16 4   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 5   1  f 136.877 3.4827  10153.29   516.320  9440.89    629.375  11619.53   902.920  131.960 4.4035  146.342 5.6965  -14.38129      7.200080  
1 1 1 -16 5   2  o 273.750 5.6359  40657.77   1671.03  40266.56   2046.64  41440.06   2894.16  272.302 6.9394  275.880 9.6857  -3.577942      11.91505  
1 1 1 -16 5   3  o 244.271 4.4755  32351.23   1184.09  32820.11   1674.54  31882.33   1674.58  245.896 6.2874  242.350 6.3796  3.546707       8.957170  
1 1 1 -16 5   4  o 331.821 6.6498  59783.40   2389.91  56973.45   4135.77  61192.13   2928.33  323.022 11.821  335.503 8.0585  -12.48114      14.30646  
1 1 1 -16 5   5  o 369.173 8.9656  74165.81   3584.92  72729.51   5067.61  75604.66   5072.08  364.658 12.831  371.863 12.593  -7.205170      17.97804  
1 1 1 -16 5   6  o 61.760  4.2940  2078.00    285.449  2158.55    412.904  2004.26    395.058  62.760  6.1535  60.457  6.1173  2.302597       8.676790  
1 1 1 -16 5   7  o 332.072 8.1950  59983.74   2947.50  57253.11   4168.88  62713.11   4167.91  323.634 11.893  338.853 11.356  -15.21933      16.44420  
1 1 1 -16 5   8  o 66.014  3.1520  2361.63    225.368  2383.33    316.414  2339.30    321.075  66.146  4.4424  65.519  4.5527  0.6263046      6.360970  
1 1 1 -16 5   9  o 251.701 4.5628  34361.18   1243.90  33328.63   1755.55  35402.22   1762.74  247.693 6.5438  255.302 6.3748  -7.609238      9.135602  
1 1 1 -16 5   10 o 256.231 4.6304  35613.55   1285.06  36397.11   1484.75  33274.10   2565.52  258.969 5.2934  247.008 9.5895  11.96158       10.95347  
1 1 1 -16 5   11 o 91.779  2.8435  4564.63    282.658  4448.78    328.880  4892.10    552.918  90.595  3.3517  94.780  5.4085  -4.184647      6.362871  
1 1 1 -16 5   12 f 156.887 3.3969  13342.59   577.224  12872.42   668.429  14721.46   1144.70  154.068 4.0056  164.585 6.4214  -10.51720      7.568340  
1 1 1 -16 5   13 o 267.023 4.8344  38695.57   1398.16  38387.39   1614.76  39618.73   2794.76  265.860 5.6077  269.353 9.5797  -3.493042      11.10033  
1 1 1 -16 5   14 o 101.745 2.9335  5611.00    323.269  5308.32    456.536  5915.38    457.810  98.915  4.2613  104.427 4.0476  -5.512222      5.877234  
1 1 1 -16 5   15 o 52.143  3.5025  1481.07    196.660  1140.73    282.310  1801.93    274.110  45.434  5.8744  57.449  4.4397  -12.01482      7.363408  
1 1 1 -16 5   16 o 71.027  3.1820  2735.55    244.794  2772.19    360.016  2704.05    333.844  71.296  4.6883  70.440  4.3977  0.8552322      6.428100  
1 1 1 -16 5   17 o 127.612 3.1694  8832.21    438.065  8312.58    617.360  9359.17    621.696  123.698 4.6079  131.275 4.3725  -7.576836      6.352268  
1 1 1 -16 5   18 o 68.537  3.1808  2548.54    236.118  2414.50    339.220  2674.52    328.865  66.468  4.7431  70.020  4.3580  -3.551514      6.441176  
1 1 1 -16 5   19 o 157.741 3.4173  13512.10   583.846  13820.20   827.828  13207.17   823.555  159.317 4.7974  155.728 4.8826  3.588593       6.845112  
1 1 1 -16 5   20 o 197.071 3.8969  21128.98   831.784  20822.59   1180.76  21430.82   1171.93  195.167 5.5858  198.037 5.4637  -2.869949      7.813636  
1 1 1 -16 5   21 o 198.982 3.9202  21571.26   844.882  20605.96   1195.34  22534.95   1194.34  193.837 5.6936  202.819 5.4369  -8.981964      7.872519  
1 1 1 -16 5   22 o 73.146  3.2305  2912.07    255.936  3135.76    356.997  2675.52    367.112  75.623  4.3772  69.723  4.8923  5.900574       6.564653  
1 1 1 -16 5   23 o 75.954  3.3803  3144.42    278.085  3077.19    398.211  3208.42    388.511  74.706  4.9494  76.349  4.7213  -1.643188      6.840170  
1 1 1 -16 5   24 o 115.762 3.2349  7309.77    405.600  7045.74    577.893  7566.11    569.412  113.197 4.7135  117.389 4.4785  -4.191994      6.501802  
1 1 1 -16 5   25 o 39.634  5.2873  884.014    221.315  757.472    318.294  1002.45    307.935  35.743  8.3693  41.684  7.0734  -5.941380      10.95797  
1 1 1 -16 5   26 o 69.088  2.8060  2604.76    209.976  2553.61    252.439  2719.61    378.273  68.282  3.4133  69.840  5.0344  -1.558289      6.082464  
1 1 1 -16 5   27 o 16.834  7.0300  50.072     213.822  428.116    316.910  -265.8371  289.698  27.197  9.1235  14.964  7.0275  12.23264       11.51625  
1 1 1 -16 5   28 f 15.991  6.9503  -10.3502   224.252  31.741     346.022  -40.8322   294.462  20.165  8.6988  17.743  7.8304  2.421783       11.70404  
1 1 1 -16 5   29 o 15.740  6.8841  -14.3460   222.996  -90.8315   331.298  49.011     301.527  17.922  8.0788  19.045  8.1666  -1.122803      11.48736  
1 1 1 -16 5   30 o 20.375  7.7737  216.312    238.444  -26.9947   347.194  433.517    328.043  18.633  8.3452  26.020  9.2548  -7.386209      12.46164  
1 1 1 -16 5   31 o 32.526  12.310  884.755    594.876  884.755    594.876  0.0000     0.0000   32.526  12.310  ?       ?       0.000000       12.30985  
1 1 1 -16 5   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 6   1  o 74.186  3.1018  2982.15    249.237  2889.45    302.328  3178.81    440.331  72.912  3.8419  76.364  5.3577  -3.452248      6.592791  
1 1 1 -16 6   2  o 234.010 4.3174  29687.72   1094.28  30415.69   1548.21  28961.00   1546.88  236.740 6.0379  230.997 6.1827  5.742401       8.641904  
1 1 1 -16 6   3  o 110.590 2.8647  6626.48    343.136  6981.01    487.286  6277.75    483.275  113.485 3.9644  107.613 4.1463  5.872459       5.736545  
1 1 1 -16 6   4  f 258.768 4.6043  36308.31   1290.45  34385.22   1819.96  38252.75   1830.04  251.648 6.6773  265.455 6.3650  -13.80713      9.224931  
1 1 1 -16 6   5  o 230.639 6.0394  28871.20   1508.68  27513.90   2129.73  30238.38   2137.48  224.880 8.7439  235.796 8.3694  -10.91687      12.10381  
1 1 1 -16 6   6  o 152.754 4.6528  12653.85   769.796  12311.73   1084.88  13000.78   1092.48  150.568 6.6524  154.732 6.5187  -4.164612      9.313850  
1 1 1 -16 6   7  o 259.108 6.6384  36464.89   1863.02  35413.77   2633.25  37518.32   2636.15  254.950 9.5360  262.459 9.2734  -7.509109      13.30159  
1 1 1 -16 6   8  o 194.910 5.3954  20615.03   1139.01  20458.88   1611.37  20770.95   1610.24  193.970 7.6699  195.450 7.6065  -1.480347      10.80214  
1 1 1 -16 6   9  o 173.673 3.5446  16349.51   666.759  15439.04   936.702  17284.64   949.303  168.684 5.1269  178.496 4.9103  -9.811920      7.099046  
1 1 1 -16 6   10 o 112.285 2.9651  6832.50    360.605  6972.21    423.306  6462.90    688.521  113.414 3.4460  108.943 5.8566  4.470901       6.795171  
1 1 1 -16 6   11 o 216.111 4.1072  25327.08   961.377  25538.22   1112.92  24706.28   1908.33  216.961 4.7360  213.003 8.2718  3.958191       9.531624  
1 1 1 -16 6   12 o 135.585 3.1758  9964.13    466.380  9405.23    541.221  11576.21   919.180  131.703 3.7941  145.994 5.8129  -14.29057      6.941571  
1 1 1 -16 6   13 o 131.304 3.1229  9345.14    444.121  8864.93    511.758  10810.18   893.872  127.863 3.6953  141.064 5.8504  -13.20090      6.919730  
1 1 1 -16 6   14 o 322.668 5.6486  56564.81   1974.10  56031.59   2793.04  57097.09   2790.57  320.616 8.0431  323.671 7.9601  -3.055603      11.31610  
1 1 1 -16 6   15 o 66.414  3.2131  2391.50    231.134  2620.75    324.125  2154.31    329.691  69.357  4.3365  62.799  4.8856  6.558258       6.532526  
1 1 1 -16 6   16 o 111.566 3.0251  6748.47    365.545  6885.35    520.229  6614.98    513.749  112.627 4.2646  110.392 4.2968  2.235352       6.053869  
1 1 1 -16 6   17 o 205.015 3.9837  22816.20   884.596  21789.08   1252.26  23839.21   1249.76  200.086 5.7784  209.334 5.5121  -9.248322      7.985795  
1 1 1 -16 6   18 o 125.496 3.1390  8544.51    426.674  8347.79    607.158  8736.46    599.728  123.921 4.5236  126.789 4.3672  -2.868286      6.287711  
1 1 1 -16 6   19 o 23.817  6.3774  320.849    167.794  261.307    245.080  373.384    230.210  23.018  8.0149  25.887  7.6670  -2.868492      11.09149  
1 1 1 -16 6   20 o 98.432  3.1021  5262.39    330.724  4969.84    477.227  5532.73    458.750  95.487  4.6144  100.805 4.2017  -5.318146      6.240706  
1 1 1 -16 6   21 o 28.587  5.8985  464.669    176.574  901.747    253.264  51.270     246.308  40.096  6.0176  18.271  7.5805  21.82437       9.678580  
1 1 1 -16 6   22 o 128.284 3.1885  8956.05    443.028  8437.52    620.732  9494.44    632.506  124.183 4.6150  131.784 4.4313  -7.600822      6.398012  
1 1 1 -16 6   23 o 64.286  3.6539  2262.21    253.368  1844.63    363.452  2657.00    353.393  57.506  5.9199  69.449  4.7262  -11.94359      7.575121  
1 1 1 -16 6   24 o 33.829  1.7366  622.671    63.413   697.657    305.820  619.302    64.822   34.426  8.2989  33.733  1.7805  0.6930847      8.487763  
1 1 1 -16 6   25 o 72.928  2.8219  2898.75    222.898  2921.65    266.941  2846.01    405.092  73.116  3.3708  71.517  5.2667  1.599159       6.253049  
1 1 1 -16 6   26 o 18.925  7.3695  138.050    217.436  83.426     338.163  176.551    283.906  21.033  8.8167  21.377  8.3934  -0.3433781     12.17304  
1 1 1 -16 6   27 o 37.738  5.8081  817.805    229.786  563.436    339.888  1031.94    311.851  30.465  9.3796  41.946  7.1187  -11.48026      11.77510  
1 1 1 -16 6   28 o 22.513  7.6637  283.028    223.641  234.112    333.362  323.060    301.574  23.170  9.0959  24.473  8.8536  -1.302109      12.69335  
1 1 1 -16 6   29 o 13.604  6.2990  -151.5845  219.911  20.185     329.929  -288.9067  294.998  19.324  8.4147  14.693  6.9583  4.631083       10.91902  
1 1 1 -16 6   30 o 22.052  1.4153  265.709    33.625   234.020    350.085  266.004    33.781   22.410  9.1394  22.063  1.4212  0.3468838      9.249215  
1 1 1 -16 6   31 f 29.493  11.940  665.867    592.421  665.867    592.421  0.0000     0.0000   29.493  11.940  ?       ?       0.000000       11.94032  
1 1 1 -16 6   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 7   1  o 195.160 3.7634  20643.45   795.508  19996.17   1123.38  21294.52   1126.67  191.992 5.4022  198.137 5.2500  -6.144348      7.533029  
1 1 1 -16 7   2  o 205.402 3.9348  22868.69   875.381  22568.44   1237.42  23169.48   1238.53  203.955 5.6016  206.657 5.5333  -2.702576      7.873734  
1 1 1 -16 7   3  o 381.763 6.5397  79125.77   2704.11  83109.65   3824.22  75142.02   3824.16  390.812 9.0345  371.512 9.5037  19.29968       13.11270  
1 1 1 -16 7   4  o 479.806 8.0041  125148.40  4159.54  121965.00  5881.12  128334.80  5883.85  472.713 11.487  484.993 11.201  -12.27991      16.04384  
1 1 1 -16 7   5  o 292.959 5.9310  46578.66   1881.92  46701.82   2303.89  46331.71   3262.38  293.190 7.2551  291.545 10.331  1.644470       12.62432  
1 1 1 -16 7   6  o 383.669 10.930  80325.47   4542.17  80911.73   5452.76  78996.50   8209.69  384.434 13.096  376.557 20.203  7.877319       24.07598  
1 1 1 -16 7   7  o 129.926 4.3855  9153.61    617.139  8896.93    878.265  9403.96    867.370  128.002 6.3349  131.613 6.0847  -3.610550      8.783731  
1 1 1 -16 7   8  o 371.639 9.0541  75224.57   3644.50  74730.21   5155.05  75718.57   5153.16  369.340 12.887  371.804 12.796  -2.464020      18.16075  
1 1 1 -16 7   9  o 286.028 7.2201  44475.30   2236.77  41489.68   3163.77  47459.02   3162.76  275.654 10.597  294.972 9.8996  -19.31750      14.50142  
1 1 1 -16 7   10 o 108.521 2.9894  6382.20    351.379  6246.42    410.691  6753.08    678.767  107.346 3.5323  111.390 5.6445  -4.043465      6.658655  
1 1 1 -16 7   11 o 373.918 6.3962  75968.21   2590.40  77134.30   2991.84  72476.41   5177.19  376.580 7.3352  363.285 13.158  13.29483       15.06410  
1 1 1 -16 7   12 o 348.981 6.0269  66160.36   2278.05  67403.00   2631.76  62447.13   4549.36  352.072 6.9015  337.333 12.451  14.73911       14.23624  
1 1 1 -16 7   13 o 279.917 5.0006  42530.18   1516.09  41861.26   1751.07  44533.01   3029.95  277.594 5.8240  285.503 9.7984  -7.909668      11.39857  
1 1 1 -16 7   14 o 73.308  3.1189  2913.22    247.640  3126.34    291.903  2365.94    467.762  75.931  3.5493  65.614  6.6749  10.31701       7.559918  
1 1 1 -16 7   15 o 287.930 5.1211  45029.34   1597.07  44989.39   2260.97  45069.12   2256.23  287.373 7.2640  287.633 7.2423  -0.2596130     10.25752  
1 1 1 -16 7   16 o 79.666  3.0302  3441.05    261.466  3755.39    375.023  3143.74    364.727  83.076  4.1812  75.965  4.4523  7.111191       6.107816  
1 1 1 -16 7   17 o 135.481 3.2073  9955.67    470.634  10006.91   669.038  9905.47    662.169  135.723 4.5512  135.035 4.5274  0.6874390      6.419607  
1 1 1 -16 7   18 o 145.188 3.2996  11438.80   518.868  11623.07   737.301  11257.99   730.329  146.206 4.6560  143.887 4.6863  2.318253       6.605995  
1 1 1 -16 7   19 o 81.006  2.6942  3559.83    236.385  3707.68    383.671  3469.36    300.112  82.448  4.3114  79.924  3.4668  2.523354       5.532413  
1 1 1 -16 7   20 o 96.827  3.0976  5092.37    324.862  4955.87    465.127  5222.38    453.927  95.364  4.5032  97.924  4.2798  -2.560120      6.212510  
1 1 1 -16 7   21 o 101.339 3.0175  5581.64    331.202  6085.35    471.789  5092.18    465.064  105.647 4.1231  96.590  4.4454  9.057716       6.063105  
1 1 1 -16 7   22 o 51.066  3.9077  1430.83    214.492  1044.57    291.738  1885.27    316.441  43.038  6.4578  58.431  5.0497  -15.39296      8.197706  
1 1 1 -16 7   23 o 121.346 3.2354  8022.16    425.232  7291.73    605.426  8733.33    597.392  115.262 4.8496  126.301 4.3670  -11.03940      6.526038  
1 1 1 -16 7   24 o 53.683  4.0889  1587.66    235.960  1353.88    340.403  1803.89    327.374  48.865  6.6007  56.908  5.3750  -8.043102      8.512294  
1 1 1 -16 7   25 o 61.619  4.1134  2093.26    272.950  2416.55    400.617  1813.17    372.893  65.720  5.6840  56.692  6.1726  9.028370       8.390989  
1 1 1 -16 7   26 o 46.033  4.8275  1185.80    237.113  1355.73    351.980  1044.60    320.836  48.498  6.8949  42.327  7.2597  6.170738       10.01213  
1 1 1 -16 7   27 o 27.527  7.2780  451.358    220.301  726.682    330.920  232.220    295.230  34.449  8.8285  22.588  8.6424  11.86167       12.35447  
1 1 1 -16 7   28 o 54.332  4.3857  1649.99    255.888  1574.71    378.534  1713.35    347.247  51.911  6.9037  54.672  5.9607  -2.760944      9.120959  
1 1 1 -16 7   29 o 17.748  7.4403  68.824     240.863  20.464     362.259  107.144    322.467  20.094  8.7817  20.440  8.5909  -0.3458519     12.28504  
1 1 1 -16 7   30 o 37.128  2.1118  757.063    84.572   887.734    371.519  749.922    86.852   36.080  9.4093  36.935  2.1807  -0.8547363     9.658745  
1 1 1 -16 7   31 o 25.691  11.191  345.272    583.907  345.272    583.907  0.0000     0.0000   25.691  11.191  ?       ?       0.000000       11.19054  
1 1 1 -16 7   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 8   1  o 227.558 4.2331  28072.49   1043.33  28109.75   1474.60  28035.13   1476.40  227.590 5.9821  227.286 5.9974  0.3034821      8.470739  
1 1 1 -16 8   2  o 167.934 3.4513  15283.38   627.754  15949.21   887.379  14616.35   888.179  171.498 4.7773  164.165 4.9952  7.332489       6.911862  
1 1 1 -16 8   3  o 253.588 4.5687  34868.52   1254.86  35791.37   1774.04  33944.40   1775.26  256.772 6.3789  250.042 6.5551  6.729706       9.146522  
1 1 1 -16 8   4  o 370.537 6.2719  74529.29   2517.09  74715.20   3558.72  74343.18   3560.70  370.564 8.8667  369.635 8.8939  0.9290466      12.55863  
1 1 1 -16 8   5  o 219.322 4.1438  26077.46   984.367  26031.54   1387.79  26123.96   1396.46  219.014 5.8504  219.400 5.8765  -0.3863525     8.292175  
1 1 1 -16 8   6  o 239.257 5.6242  31063.62   1457.44  30555.66   1633.26  33049.25   3229.17  237.226 6.3566  245.876 12.126  -8.650070      13.69079  
1 1 1 -16 8   7  o 222.918 5.3989  26963.85   1303.53  28118.93   2066.02  26199.94   1680.16  227.328 8.3910  219.584 7.0644  7.743256       10.96882  
1 1 1 -16 8   8  o 66.402  4.1579  2400.09    297.528  2136.35    417.687  2671.76    423.919  62.412  6.2634  69.935  5.6446  -7.523094      8.431642  
1 1 1 -16 8   9  o 102.163 4.1034  5659.41    454.058  5955.46    664.856  5400.64    621.594  104.567 5.8944  99.572  5.7887  4.995399       8.261491  
1 1 1 -16 8   10 o 259.958 6.7220  36725.15   1892.67  35522.73   2682.43  37917.24   2670.88  255.185 9.7052  263.714 9.3508  -8.528885      13.47696  
1 1 1 -16 8   11 o 342.377 6.8577  63725.29   2543.04  62225.77   3115.99  66716.13   4400.66  337.976 8.5122  349.068 11.640  -11.09189      14.42002  
1 1 1 -16 8   12 o 315.887 5.5351  54181.67   1893.78  55103.93   2187.33  51420.82   3784.51  318.433 6.3420  306.424 11.403  12.00848       13.04790  
1 1 1 -16 8   13 o 166.764 3.5398  15078.15   639.367  14757.35   742.531  15998.04   1257.37  164.944 4.1563  171.512 6.7686  -6.567627      7.942859  
1 1 1 -16 8   14 o 20.789  6.4454  233.702    160.180  286.912    189.736  101.696    298.847  22.936  6.9988  20.989  8.4865  1.947048       11.00014  
1 1 1 -16 8   15 f 279.952 5.0050  42563.64   1517.59  39848.41   2148.02  45269.67   2144.39  270.438 7.3333  288.355 6.8660  -17.91736      10.04590  
1 1 1 -16 8   16 o 196.292 3.8556  20906.30   819.711  18831.17   1157.67  22992.75   1160.83  186.078 5.7441  205.691 5.2105  -19.61288      7.755259  
1 1 1 -16 8   17 o 221.834 4.2005  26721.61   1009.26  26969.40   1432.18  26477.17   1422.47  222.562 5.9413  220.519 5.9557  2.043228       8.412388  
1 1 1 -16 8   18 o 195.687 3.8735  20796.52   820.984  21296.32   1161.12  20296.83   1160.98  197.757 5.4209  193.034 5.5529  4.722595       7.760231  
1 1 1 -16 8   19 o 81.404  3.0438  3596.73    268.369  3184.65    385.544  3984.06    373.791  76.340  4.6855  85.602  4.0316  -9.262573      6.181226  
1 1 1 -16 8   20 o 93.420  2.8920  4738.59    292.620  4605.96    449.605  4836.05    385.424  91.931  4.5154  94.289  3.7740  -2.358192      5.884945  
1 1 1 -16 8   21 o 86.837  3.0288  4098.67    284.866  4290.81    408.425  3916.66    397.518  88.691  4.2517  84.612  4.3524  4.078651       6.084425  
1 1 1 -16 8   22 o 21.722  6.8661  258.430    180.840  318.704    243.337  184.074    270.271  24.314  7.9891  21.575  8.2657  2.738821       11.49555  
1 1 1 -16 8   23 o 40.922  4.9638  932.641    215.506  1010.56    312.117  861.652    297.921  42.060  7.1044  38.692  7.3783  3.368019       10.24264  
1 1 1 -16 8   24 o 52.610  4.2057  1526.73    237.645  1681.09    350.286  1395.10    323.475  54.727  6.0084  49.762  6.1314  4.964848       8.584594  
1 1 1 -16 8   25 o 65.082  4.0084  2332.28    281.181  2126.12    413.474  2509.65    383.515  61.380  6.3093  67.111  5.3198  -5.730591      8.252683  
1 1 1 -16 8   26 o 65.715  3.9024  2381.93    276.513  2121.38    394.313  2634.03    387.862  61.233  6.0234  68.622  5.2585  -7.388962      7.995838  
1 1 1 -16 8   27 o 15.258  6.7213  -40.1003   215.957  -73.7216   339.369  -17.2211   279.954  18.693  8.3200  17.744  7.7383  0.9491253      11.36236  
1 1 1 -16 8   28 o 33.789  6.5637  673.268    231.552  981.850    348.850  430.242    309.584  40.150  8.2964  26.988  9.0176  13.16231       12.25349  
1 1 1 -16 8   29 o 23.382  7.9255  319.351    239.172  289.415    347.874  346.187    329.366  24.030  9.3314  24.902  9.2133  -0.8717880     13.11336  
1 1 1 -16 8   30 o 27.956  7.8288  504.471    246.473  988.138    389.447  181.305    318.337  38.033  9.4859  20.991  8.6554  17.04202       12.84132  
1 1 1 -16 8   31 f 26.522  11.430  416.217    596.206  416.217    596.206  0.0000     0.0000   26.522  11.430  ?       ?       0.000000       11.42991  
1 1 1 -16 8   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 9   1  o 185.344 3.6707  18618.37   736.878  20086.78   1042.82  17153.97   1041.39  192.448 5.0029  177.823 5.4070  14.62556       7.366475  
1 1 1 -16 9   2  o 355.066 6.0751  68423.42   2336.34  68086.09   3304.03  68760.77   3304.15  353.800 8.6221  355.556 8.5799  -1.756195      12.16370  
1 1 1 -16 9   3  o 288.427 5.1099  45121.75   1596.32  46532.05   2257.51  43711.37   2257.57  292.686 7.1213  283.649 7.3484  9.037354       10.23283  
1 1 1 -16 9   4  o 274.487 4.8644  40860.46   1446.16  41517.86   2043.13  40200.41   2047.25  276.496 6.8224  272.059 6.9476  4.436401       9.737292  
1 1 1 -16 9   5  o 225.178 4.1221  27488.50   1005.35  26437.20   1415.27  28559.39   1428.39  220.706 5.9205  229.408 5.7487  -8.701675      8.252234  
1 1 1 -16 9   6  o 419.765 8.2313  95842.38   3742.35  95719.16   4583.20  96088.88   6482.56  419.032 10.098  418.458 14.303  0.5732727      17.50858  
1 1 1 -16 9   7  o 162.463 4.3652  14312.32   768.115  14329.71   1230.34  14301.22   983.277  162.398 6.9948  162.333 5.5924  0.6480408E-01  8.955585  
1 1 1 -16 9   8  o 191.203 3.7625  19818.11   779.191  19155.96   900.391  21792.99   1554.98  187.946 4.4231  200.241 7.1697  -12.29541      8.424271  
1 1 1 -16 9   9  o 254.485 6.5650  35184.57   1809.53  34544.36   2560.30  35823.54   2557.81  251.739 9.3901  256.389 9.2109  -4.650101      13.15349  
1 1 1 -16 9   10 o 201.629 5.5077  22068.28   1202.81  22912.31   1705.11  21232.30   1696.97  205.221 7.6712  197.523 7.9320  7.698151       11.03468  
1 1 1 -16 9   11 o 297.474 7.4659  48141.49   2405.48  47866.50   3404.96  48415.48   3398.77  295.935 10.623  297.648 10.543  -1.712769      14.96645  
1 1 1 -16 9   12 o 95.120  4.1023  4907.04    422.636  5019.88    618.568  4808.23    578.807  95.945  5.9823  93.921  5.7171  2.023750       8.274805  
1 1 1 -16 9   13 o 101.609 3.0266  5595.98    333.085  5821.96    395.393  5043.63    618.163  103.625 3.5229  96.163  5.9645  7.461960       6.927171  
1 1 1 -16 9   14 o 154.219 3.3921  12895.31   566.602  13060.25   658.087  12422.72   1113.97  155.172 3.9156  151.098 6.8068  4.074677       7.852714  
1 1 1 -16 9   15 o 203.588 3.9429  22485.95   869.445  23528.78   1237.16  21468.28   1222.14  208.083 5.4893  198.739 5.6776  9.343704       7.897357  
1 1 1 -16 9   16 f 159.739 3.4707  13840.23   600.474  13942.69   848.459  13737.42   849.938  160.205 4.8897  159.017 4.9348  1.188293       6.947092  
1 1 1 -16 9   17 o 174.406 3.6120  16505.80   682.309  16240.00   972.254  16763.75   957.771  172.811 5.1944  175.597 5.0359  -2.786377      7.234782  
1 1 1 -16 9   18 o 117.471 3.1147  7486.93    396.295  7154.20    572.301  7793.45    549.297  114.705 4.6065  119.757 4.2348  -5.052444      6.257295  
1 1 1 -16 9   19 f 66.753  3.2585  2419.49    235.593  2508.79    333.034  2330.03    333.324  67.738  4.5659  65.242  4.7496  2.495651       6.588360  
1 1 1 -16 9   20 o 20.366  6.5964  220.954    166.140  396.471    255.005  91.503     218.999  26.690  8.1070  18.249  7.3047  8.440729       10.91246  
1 1 1 -16 9   21 o 136.633 3.1871  10151.63   471.657  9833.92    676.356  10452.39   658.067  134.166 4.6544  138.387 4.3904  -4.221115      6.398348  
1 1 1 -16 9   22 o 113.713 3.1106  7035.99    383.106  6483.44    536.838  7609.43    546.889  108.862 4.5530  118.006 4.2788  -9.144600      6.248057  
1 1 1 -16 9   23 o 61.084  2.5549  2028.33    169.031  2307.79    359.838  1949.21    191.470  64.577  5.1885  59.842  2.9541  4.734798       5.970504  
1 1 1 -16 9   24 o 41.410  5.1447  959.499    225.774  1274.29    336.276  701.140    304.646  47.329  6.7512  34.512  8.2601  12.81737       10.66811  
1 1 1 -16 9   25 o 82.470  3.5573  3721.50    317.751  4125.48    465.236  3368.29    435.020  86.263  5.0009  77.847  5.1891  8.415520       7.206613  
1 1 1 -16 9   26 o 18.885  7.4075  132.760    220.919  178.279    318.985  90.801     306.257  22.175  8.8362  20.333  8.4457  1.842672       12.22322  
1 1 1 -16 9   27 o 21.764  7.6258  252.432    222.030  550.922    349.623  50.690     287.430  30.168  9.5481  19.031  8.0605  11.13724       12.49549  
1 1 1 -16 9   28 o 18.484  7.3337  125.504    218.861  426.413    332.050  -105.6430  291.025  27.051  9.3343  16.757  7.5609  10.29486       12.01230  
1 1 1 -16 9   29 o 14.324  6.5118  -99.5281   220.753  -165.1384  337.735  -50.5892   291.686  17.214  7.9115  17.295  7.7043  -0.8076477E-01 11.04300  
1 1 1 -16 9   30 o 40.009  5.9553  958.383    250.203  802.286    378.857  1079.13    333.203  33.922  9.7764  41.225  7.7468  -7.303234      12.47359  
1 1 1 -16 9   31 o 28.838  12.543  590.858    731.415  590.858    731.415  0.0000     0.0000   28.838  12.543  ?       ?       0.000000       12.54324  
1 1 1 -16 9   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 10  1  o 124.231 2.9680  8362.28    399.352  8683.64    562.709  8036.18    566.852  126.565 4.1049  121.749 4.2987  4.815704       5.943786  
1 1 1 -16 10  2  o 212.821 4.0400  24552.14   931.250  25163.86   1316.13  23938.82   1317.84  215.356 5.6425  210.038 5.7929  5.318146       8.086735  
1 1 1 -16 10  3  o 167.763 3.4613  15252.58   628.936  15166.44   887.446  15339.51   891.468  167.228 4.8996  168.180 4.8940  -0.9517365     6.925113  
1 1 1 -16 10  4  o 168.122 3.4610  15318.16   630.222  15156.27   887.134  15483.11   895.462  167.170 4.8996  168.963 4.8931  -1.793167      6.924491  
1 1 1 -16 10  5  o 161.138 3.4193  14072.07   596.774  14374.58   837.677  13760.30   850.399  162.805 4.7505  159.280 4.9294  3.525314       6.845851  
1 1 1 -16 10  6  o 236.252 5.0147  30276.57   1283.20  30428.65   1570.44  29971.06   2225.83  236.749 6.1244  234.661 8.7575  2.087402       10.68654  
1 1 1 -16 10  7  o 227.438 5.9983  28082.04   1477.62  30141.06   2091.98  26032.11   2087.36  235.377 8.2058  218.669 8.8133  16.70805       12.04202  
1 1 1 -16 10  8  o 251.224 4.5801  34229.90   1246.24  32836.26   1438.67  38419.27   2494.37  245.985 5.3999  265.645 8.6694  -19.66017      10.21355  
1 1 1 -16 10  9  o 244.230 4.4831  32350.98   1185.90  30990.46   1369.79  36422.25   2369.56  238.969 5.2923  258.647 8.4584  -19.67848      9.977654  
1 1 1 -16 10  10 o 109.842 4.1612  6542.81    495.055  6012.60    707.864  7050.42    692.612  105.023 6.2512  113.960 5.6113  -8.936699      8.400255  
1 1 1 -16 10  11 o 74.767  4.1532  3040.97    334.999  2641.35    492.010  3386.34    457.401  69.400  6.6260  78.799  5.3917  -9.398552      8.542530  
1 1 1 -16 10  12 o 255.658 6.5733  35529.70   1820.16  36359.78   2584.46  34712.79   2563.86  258.154 9.2431  252.211 9.3856  5.943512       13.17288  
1 1 1 -16 10  13 o 154.434 4.7957  12943.88   802.161  12212.56   1146.78  13644.52   1122.46  149.819 7.0671  158.412 6.5420  -8.592865      9.630294  
1 1 1 -16 10  14 o 186.793 3.7747  18923.42   763.685  19104.01   885.627  18399.75   1508.12  187.636 4.3578  183.781 7.5765  3.855179       8.740308  
1 1 1 -16 10  15 o 157.565 3.4636  13463.43   591.097  13249.58   686.462  14076.71   1162.49  156.269 4.0558  160.815 6.6741  -4.546143      7.809813  
1 1 1 -16 10  16 o 303.271 5.3134  49994.09   1745.32  52608.13   2474.47  47406.14   2462.08  310.570 7.3562  294.712 7.7132  15.85843       10.65864  
1 1 1 -16 10  17 o 201.816 3.9231  22110.25   857.540  22396.44   1218.96  21829.83   1206.62  202.875 5.5474  200.290 5.5621  2.585251       7.855665  
1 1 1 -16 10  18 o 79.832  2.7376  3456.45    236.716  3363.54    398.931  3506.93    294.084  78.501  4.7138  80.383  3.3778  -1.881912      5.799075  
1 1 1 -16 10  19 o 101.494 3.0206  5591.25    332.048  5277.69    475.026  5890.84    464.331  98.475  4.4537  104.076 4.1192  -5.600288      6.066529  
1 1 1 -16 10  20 o 68.228  3.2537  2529.53    240.442  2186.58    357.525  2812.72    324.885  63.045  5.2846  71.744  4.1992  -8.699802      6.749870  
1 1 1 -16 10  21 o 16.529  6.7019  64.560     186.936  -31.0851   235.564  227.244    307.220  16.425  7.1312  23.386  8.8474  -6.961128      11.36353  
1 1 1 -16 10  22 o 58.620  2.3955  1866.23    152.094  1709.00    309.694  1916.21    174.600  55.569  5.2062  59.375  2.7150  -3.806526      5.871633  
1 1 1 -16 10  23 o 94.798  2.9853  4892.21    306.522  5046.06    480.338  4786.52    398.121  95.929  4.6230  93.591  3.9275  2.338150       6.066076  
1 1 1 -16 10  24 o 129.598 3.3185  9166.21    465.803  9201.05    667.976  9133.24    649.888  129.314 4.7692  128.885 4.6555  0.4295197      6.664751  
1 1 1 -16 10  25 o 62.266  4.1098  2137.88    275.605  2414.88    406.678  1902.59    374.801  65.642  5.7790  58.115  6.0428  7.526920       8.361379  
1 1 1 -16 10  26 o 75.052  3.6569  3091.47    297.264  3213.12    424.038  2973.90    416.845  75.841  5.1934  72.898  5.3161  2.943748       7.431851  
1 1 1 -16 10  27 o 32.043  2.1830  561.776    75.314   770.211    366.091  552.565    76.960   35.247  9.4122  31.768  2.2513  3.479334       9.677657  
1 1 1 -16 10  28 o 54.595  4.4031  1666.93    258.151  1881.67    386.941  1494.68    346.551  57.085  6.3667  50.772  6.4472  6.312424       9.060994  
1 1 1 -16 10  29 o 20.388  2.5339  231.062    54.748   626.847    356.155  221.483    55.407   31.119  9.6048  19.934  2.6305  11.18481       9.958520  
1 1 1 -16 10  30 o 26.421  7.7831  449.809    237.785  329.830    363.400  539.639    314.445  24.112  9.4868  28.337  9.0642  -4.225187      13.12096  
1 1 1 -16 10  31 o 26.971  11.580  454.851    607.711  454.851    607.711  0.0000     0.0000   26.971  11.580  ?       ?       0.000000       11.58032  
1 1 1 -16 10  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 11  1  o 280.494 4.9957  42671.55   1517.71  42519.20   2146.19  42823.96   2146.54  279.781 7.0824  280.785 7.0582  -1.003723      9.998915  
1 1 1 -16 11  2  o 251.852 4.5675  34393.48   1245.93  35149.69   1761.41  33636.23   1762.61  254.454 6.3912  248.901 6.5382  5.552536       9.143044  
1 1 1 -16 11  3  o 66.484  2.7796  2394.82    200.157  2434.86    275.749  2350.22    290.996  66.914  3.8206  65.715  4.1090  1.198975       5.610769  
1 1 1 -16 11  4  o 139.150 3.1756  10492.49   478.608  11071.01   669.343  9887.26    684.624  142.897 4.3247  135.028 4.6812  7.868805       6.373123  
1 1 1 -16 11  5  o 54.570  3.0920  1618.84    182.003  1684.60    248.085  1542.19    267.831  55.589  4.1504  53.119  4.7039  2.469379       6.273110  
1 1 1 -16 11  6  o 96.512  3.0071  5047.37    314.339  5245.04    430.415  4821.44    460.157  98.360  4.0402  94.292  4.5057  4.067963       6.051771  
1 1 1 -16 11  7  o 89.106  3.3332  4303.18    321.692  4334.43    393.954  4240.66    557.287  89.413  4.0680  88.193  5.8676  1.220093       7.139840  
1 1 1 -16 11  8  o 269.003 5.5413  39274.16   1614.49  36952.43   1976.22  43933.44   2799.55  260.761 6.9972  283.985 9.1017  -23.22415      11.48047  
1 1 1 -16 11  9  o 363.185 6.2301  71640.13   2450.73  69783.97   2829.82  77209.09   4901.62  358.257 7.2928  375.547 12.051  -17.29047      14.08545  
1 1 1 -16 11  10 o 29.281  5.3276  479.832    162.738  496.040    203.029  450.706    272.171  29.642  6.5027  28.509  8.3067  1.132793       10.54919  
1 1 1 -16 11  11 o 127.366 4.4815  8799.78    618.232  7938.85    895.542  9583.65    854.525  120.646 6.8819  132.835 5.9394  -12.18924      9.090491  
1 1 1 -16 11  12 o 95.770  4.1080  4974.43    426.115  5080.17    621.418  4880.58    585.426  96.520  5.9736  94.624  5.7393  1.896591       8.283906  
1 1 1 -16 11  13 o 242.860 6.3582  32063.13   1672.47  31824.22   2371.76  32299.43   2358.76  241.479 9.0682  243.299 8.9510  -1.820267      12.74179  
1 1 1 -16 11  14 o 81.661  4.3405  3628.64    382.527  2859.08    565.501  4277.80    519.386  72.089  7.3452  88.575  5.4402  -16.48540      9.140423  
1 1 1 -16 11  15 o 220.708 4.1798  26433.06   999.169  26999.65   1156.10  24760.62   1986.24  222.991 4.7867  212.919 8.6129  10.07184       9.853633  
1 1 1 -16 11  16 o 104.423 3.1263  5912.85    353.590  6081.67    527.332  5774.96    476.610  105.822 4.6008  103.140 4.2665  2.682579       6.274576  
1 1 1 -16 11  17 o 104.019 3.0735  5868.35    346.271  6271.46    508.581  5520.01    472.778  107.450 4.3700  100.810 4.3299  6.639938       6.151852  
1 1 1 -16 11  18 o 176.630 3.6664  16940.06   701.405  17058.32   1003.21  16826.97   981.038  177.003 5.2329  175.813 5.1519  1.189926       7.343337  
1 1 1 -16 11  19 o 147.572 3.3329  11826.97   532.725  11197.42   757.122  12444.24   749.707  143.361 4.8760  151.186 4.5784  -7.824661      6.688560  
1 1 1 -16 11  20 o 90.435  2.8396  4440.77    278.140  4371.08    379.312  4521.83    409.070  89.618  3.9078  91.122  4.1448  -1.504112      5.696521  
1 1 1 -16 11  21 o 90.389  3.0544  4441.74    299.033  3785.77    423.061  5096.70    422.733  83.096  4.7201  96.685  4.0368  -13.58951      6.210872  
1 1 1 -16 11  22 o 62.262  2.4756  2105.84    166.944  1789.48    321.471  2222.66    195.352  56.853  5.2809  63.937  2.8209  -7.083725      5.987112  
1 1 1 -16 11  23 o 16.640  2.2733  153.180    39.900   512.668    306.128  146.968    40.243   29.808  8.8442  16.281  2.3502  13.52741       9.151125  
1 1 1 -16 11  24 o 66.887  3.8095  2455.39    274.836  2728.03    418.217  2248.14    364.624  70.006  5.5614  63.580  5.3445  6.426559       7.713161  
1 1 1 -16 11  25 o 88.829  3.0168  4305.82    290.251  4377.81    373.746  4196.42    460.719  89.353  3.8619  87.023  4.9080  2.329941       6.245218  
1 1 1 -16 11  26 o 60.153  2.6863  1973.86    175.017  1969.16    197.877  1990.74    375.099  59.941  3.0581  59.323  5.9167  0.6175156      6.660306  
1 1 1 -16 11  27 o 40.446  1.3073  887.734    57.269   1083.53    81.337   695.246    80.647   44.654  1.6817  35.675  2.0964  8.979042       2.687554  
1 1 1 -16 11  28 o 44.649  5.2973  1135.19    251.178  1520.33    393.970  871.414    326.033  50.693  7.3930  37.786  8.2017  12.90653       11.04191  
1 1 1 -16 11  29 o 61.098  4.1644  2093.79    273.939  2331.03    412.134  1906.02    366.657  63.283  6.0880  57.234  6.0042  6.049400       8.550669  
1 1 1 -16 11  30 o 13.082  6.1951  -218.7782  233.798  -724.0919  346.579  203.206    316.716  12.869  6.3968  21.272  8.6861  -8.403123      10.78736  
1 1 1 -16 11  31 o 25.618  11.263  329.775    603.864  329.775    603.864  0.0000     0.0000   25.618  11.263  ?       ?       0.000000       11.26334  
1 1 1 -16 11  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 12  1  o 432.707 7.3678  101732.10  3453.03  104741.30  4883.46  98723.28   4883.17  438.378 10.285  425.514 10.595  12.86313       14.76639  
1 1 1 -16 12  2  o 638.054 11.414  222215.41  7888.15  223975.20  10304.22 219724.00  12260.02 638.819 14.892  630.839 17.943  7.980103       23.31840  
1 1 1 -16 12  3  o 433.710 7.3660  102206.80  3460.22  105203.80  4892.81  99208.20   4894.16  439.333 10.282  426.546 10.594  12.78680       14.76316  
1 1 1 -16 12  4  o 129.270 3.0149  9054.87    422.123  8904.55    590.279  9212.20    603.897  128.156 4.2525  130.351 4.2774  -2.194244      6.031591  
1 1 1 -16 12  5  o 57.695  2.2953  1803.27    143.431  1871.24    249.218  1769.60    175.390  58.620  3.9482  57.149  2.8335  1.471649       4.859748  
1 1 1 -16 12  6  o 375.677 6.4068  76640.63   2606.90  75527.66   3683.37  77757.65   3690.07  372.414 9.1316  377.899 9.0155  -5.484375      12.83222  
1 1 1 -16 12  7  o 134.413 3.5732  9792.81    520.199  9400.36    634.346  10598.64   908.989  131.661 4.4484  139.722 6.0065  -8.061356      7.474386  
1 1 1 -16 12  8  o 291.444 5.9477  46116.57   1877.49  44233.77   2298.41  49892.39   3254.84  285.228 7.4399  302.452 9.9358  -17.22418      12.41258  
1 1 1 -16 12  9  o 340.922 5.8536  63105.74   2161.47  61504.05   2495.25  67920.01   4326.04  336.408 6.8482  352.443 11.333  -16.03503      13.24111  
1 1 1 -16 12  10 o 102.847 2.9121  5732.15    324.389  5491.69    385.963  6310.65    598.652  100.651 3.5404  107.837 5.1255  -7.185783      6.229411  
1 1 1 -16 12  11 o 46.251  3.7134  1167.24    184.453  1466.76    224.547  545.810    323.440  51.852  4.0299  31.309  9.0359  20.54228       9.893878  
1 1 1 -16 12  12 o 172.083 4.9886  16071.73   929.792  16864.64   1324.20  15300.66   1305.84  176.096 6.9428  167.707 7.1890  8.389496       9.994188  
1 1 1 -16 12  13 o 323.509 7.9914  57022.71   2800.12  58329.18   3968.64  55727.60   3951.37  326.234 11.232  318.804 11.443  7.430298       16.03434  
1 1 1 -16 12  14 o 93.063  4.1003  4698.61    413.297  5805.41    616.187  3793.47    557.232  103.224 5.5315  83.295  6.2215  19.92863       8.324930  
1 1 1 -16 12  15 o 83.000  4.4368  3749.89    397.415  3091.93    585.086  4313.48    541.501  74.981  7.2968  88.905  5.6528  -13.92351      9.230278  
1 1 1 -16 12  16 o 135.790 4.5078  10013.12   662.986  0.0000     0.0000   10013.12   662.986  ?       ?       135.790 4.5078  0.000000       4.507824  
1 1 1 -16 12  17 f 197.446 3.8627  21163.09   826.050  22575.86   1176.49  19789.42   1160.10  203.709 5.3322  190.676 5.6173  13.03304       7.745135  
1 1 1 -16 12  18 o 54.695  3.8307  1632.74    225.497  1929.51    366.068  1451.27    286.256  59.216  5.7814  51.367  5.2176  7.849251       7.787666  
1 1 1 -16 12  19 o 60.551  3.5052  1998.45    228.895  1940.06    353.267  2040.70    300.509  59.363  5.5591  61.052  4.5778  -1.689323      7.201422  
1 1 1 -16 12  20 o 161.772 3.4611  14229.01   606.448  14531.25   867.361  13939.94   848.253  163.155 4.9083  159.803 4.9009  3.352097       6.936115  
1 1 1 -16 12  21 o 190.894 3.7958  19854.01   784.808  18902.26   1110.28  20804.42   1109.49  185.640 5.5219  194.872 5.2566  -9.232468      7.623886  
1 1 1 -16 12  22 o 74.565  2.7272  3022.30    220.250  2642.80    270.901  3762.31    378.291  69.537  3.6093  82.872  4.2286  -13.33449      5.559497  
1 1 1 -16 12  23 o 26.726  6.8630  412.551    199.696  286.287    290.679  525.408    274.813  24.166  8.6994  30.052  8.2101  -5.886414      11.96180  
1 1 1 -16 12  24 o 177.288 3.7893  17195.67   727.625  16352.71   1037.56  18011.45   1020.68  171.879 5.5734  180.628 5.2172  -8.748871      7.634251  
1 1 1 -16 12  25 o 42.956  5.2860  1037.07    240.747  1106.59    347.896  973.183    333.494  43.588  7.6480  40.746  7.8413  2.841381       10.95344  
1 1 1 -16 12  26 o 57.967  4.2036  1861.72    262.127  2106.64    404.093  1683.78    344.423  60.901  6.2132  54.502  5.9303  6.398720       8.589025  
1 1 1 -16 12  27 o 14.091  6.4368  -123.8266  219.026  -73.0333   320.451  -168.3590  300.052  18.144  8.0794  16.348  7.4925  1.795927       11.01879  
1 1 1 -16 12  28 o 42.676  1.7038  990.326    78.756   1025.81    81.381   466.855    312.592  43.431  1.7300  27.829  9.0506  15.60237       9.214475  
1 1 1 -16 12  29 o 21.514  7.8202  250.478    235.691  622.577    378.831  15.491     301.050  30.886  9.9563  18.444  8.0346  12.44189       12.79385  
1 1 1 -16 12  30 o 17.414  7.3627  76.208     239.142  54.404     356.780  93.995     322.247  19.739  8.6685  19.590  8.4225  0.1496754      12.08643  
1 1 1 -16 12  31 o 29.180  12.073  650.402    622.203  650.402    622.203  0.0000     0.0000   29.180  12.073  ?       ?       0.000000       12.07250  
1 1 1 -16 12  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 13  1  o 260.329 4.7345  36752.39   1334.97  37453.03   1887.41  36050.98   1888.46  262.625 6.6353  257.648 6.7672  4.976532       9.477458  
1 1 1 -16 13  2  o 58.656  2.8416  1864.12    180.527  1927.35    241.677  1784.31    271.530  59.512  3.7689  57.196  4.4173  2.315876       5.806657  
1 1 1 -16 13  3  o 42.455  3.1136  981.931    142.174  935.808    186.083  1046.61    220.363  41.332  4.2157  43.676  4.7341  -2.343384      6.339058  
1 1 1 -16 13  4  o 261.811 4.7161  37173.12   1337.33  36601.84   1888.45  37747.82   1894.10  259.604 6.7162  263.646 6.6330  -4.041962      9.439514  
1 1 1 -16 13  5  o 182.826 3.6746  18117.45   727.634  18484.43   1023.61  17742.59   1034.54  184.591 5.1198  180.839 5.2818  3.751984       7.355938  
1 1 1 -16 13  6  o 27.117  4.6808  410.206    132.510  380.100    155.055  491.746    255.178  25.962  5.6727  29.554  7.8421  -3.591576      9.678744  
1 1 1 -16 13  7  o 188.755 4.2474  19318.81   868.344  17783.71   1060.73  22437.71   1511.95  181.029 5.4098  203.216 6.8692  -22.18622      8.743735  
1 1 1 -16 13  8  o 168.164 4.0499  15332.94   737.647  14894.88   904.250  16204.30   1275.33  165.690 5.0387  172.687 6.8186  -6.996948      8.478308  
1 1 1 -16 13  9  o 145.132 3.2303  11415.91   507.778  10484.98   586.485  14202.89   1014.76  139.064 3.8938  161.740 5.7927  -22.67581      6.979717  
1 1 1 -16 13  10 o 64.007  3.0701  2220.36    212.838  2355.26    252.455  1888.87    395.758  65.819  3.5545  58.627  6.3331  7.192081       7.262444  
1 1 1 -16 13  11 f 379.372 6.5135  78219.15   2676.39  77028.66   3090.57  81789.28   5352.01  376.237 7.5841  385.981 12.802  -9.743500      14.87995  
1 1 1 -16 13  12 o 296.634 5.2876  47769.79   1698.83  46365.60   1962.58  51966.23   3392.77  292.106 6.2032  308.368 10.158  -16.26215      11.90242  
1 1 1 -16 13  13 o 323.184 6.5374  56796.64   2288.36  57222.33   2805.29  55950.04   3956.14  324.065 7.9924  319.422 11.435  4.642792       13.95126  
1 1 1 -16 13  14 o 258.207 6.6208  36275.30   1851.61  37649.02   2626.32  34917.68   2610.90  262.471 9.2384  252.695 9.5394  9.775848       13.27966  
1 1 1 -16 13  15 o 209.368 5.7778  23831.98   1310.21  22111.62   1859.57  25527.96   1846.34  201.207 8.5329  216.328 7.8801  -15.12047      11.61492  
1 1 1 -16 13  16 o 109.748 4.2554  6539.02    505.830  0.0000     0.0000   6539.02    505.830  ?       ?       109.748 4.2554  0.000000       4.255368  
1 1 1 -16 13  17 o 113.676 4.3507  7019.76    535.668  0.0000     0.0000   7019.76    535.668  ?       ?       113.676 4.3507  0.000000       4.350683  
1 1 1 -16 13  18 o 255.586 4.6880  35535.70   1297.75  36127.95   1840.78  34950.45   1829.86  257.138 6.6095  252.889 6.6807  4.249390       9.397669  
1 1 1 -16 13  19 o 107.747 3.0958  6302.92    361.284  6950.03    541.670  5784.34    484.897  112.994 4.4260  103.094 4.3426  9.900703       6.200581  
1 1 1 -16 13  20 o 107.987 3.1380  6336.23    367.029  6789.58    551.478  5975.76    491.755  111.577 4.5634  104.712 4.3359  6.864632       6.294797  
1 1 1 -16 13  21 o 42.321  4.5060  989.110    203.369  831.434    301.567  1120.63    275.423  38.088  7.5767  44.811  5.8116  -6.722561      9.548923  
1 1 1 -16 13  22 f 16.841  6.6276  92.661     177.396  274.917    239.634  -128.3169  263.865  23.081  7.9316  15.949  7.1977  7.131552       10.71061  
1 1 1 -16 13  23 o 33.712  5.8536  645.152    205.980  593.069    301.317  690.841    282.218  31.843  8.5544  34.456  7.7501  -2.613256      11.54303  
1 1 1 -16 13  24 f 21.749  7.5352  244.728    216.491  39.818     343.001  380.409    279.109  20.705  8.7895  26.150  8.5545  -5.445335      12.26519  
1 1 1 -16 13  25 o 61.283  4.0455  2070.89    267.017  1909.76    383.888  2221.92    371.649  58.144  6.1910  63.024  5.4996  -4.879566      8.280965  
1 1 1 -16 13  26 o 25.340  7.5671  374.932    223.568  470.294    354.280  311.827    288.198  28.589  9.6462  24.329  8.6722  4.259930       12.97138  
1 1 1 -16 13  27 o 58.599  4.2817  1910.70    269.873  2075.67    390.346  1759.64    373.526  60.309  6.0578  55.348  6.3455  4.960598       8.772786  
1 1 1 -16 13  28 o 88.609  3.4752  4324.82    333.525  3917.18    491.170  4673.61    454.333  83.137  5.4855  91.431  4.6026  -8.293816      7.160638  
1 1 1 -16 13  29 o 47.001  2.6346  1215.57    133.579  1148.17    145.109  1589.85    341.941  45.582  2.9551  52.062  6.1851  -6.479477      6.854763  
1 1 1 -16 13  30 o 17.061  7.6374  -31.7001   290.447  -41.2388   380.567  -18.3933   449.493  19.058  8.6184  20.636  9.3462  -1.578335      12.71331  
1 1 1 -16 13  31 o 24.868  11.528  112.913    739.580  112.913    739.580  0.0000     0.0000   24.868  11.528  ?       ?       0.000000       11.52765  
1 1 1 -16 13  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 14  1  o 105.283 2.8472  6005.90    324.676  6096.07    461.063  5917.20    457.283  106.044 4.0142  104.476 4.0411  1.568047       5.696015  
1 1 1 -16 14  2  o 371.569 6.3878  74959.35   2570.76  73711.66   3634.54  76208.50   3636.68  367.978 9.1192  374.190 8.9731  -6.211121      12.79362  
1 1 1 -16 14  3  o 155.524 3.2800  13107.86   552.517  12963.80   776.580  13255.53   786.265  154.615 4.6373  156.345 4.6432  -1.729721      6.562284  
1 1 1 -16 14  4  o 177.715 3.5480  17117.48   682.924  16457.01   960.572  17792.53   971.114  174.178 5.0917  181.116 4.9504  -6.937851      7.101592  
1 1 1 -16 14  5  o 39.587  3.6059  856.462    152.914  1073.57    198.643  540.675    239.569  44.301  4.1896  30.926  7.2740  13.37531       8.394279  
1 1 1 -16 14  6  o 339.799 5.7412  62669.66   2112.97  58387.74   2438.38  75577.59   4233.61  327.827 6.8673  372.180 10.502  -44.35281      12.54829  
1 1 1 -16 14  7  o 204.292 4.5595  22634.86   1008.88  22687.02   1234.34  22529.88   1751.06  204.454 5.5740  203.517 7.9438  0.9371796      9.704338  
1 1 1 -16 14  8  o 232.990 5.0225  29452.23   1267.44  29484.67   1552.42  29387.39   2194.88  233.010 6.1513  232.300 8.7235  0.7103729      10.67419  
1 1 1 -16 14  9  o 222.636 4.1829  26878.87   1008.66  26166.12   1164.41  29021.42   2018.84  219.610 4.8953  230.919 8.0718  -11.30911      9.440282  
1 1 1 -16 14  10 o 161.275 3.4491  14098.91   602.477  13358.23   697.232  16281.97   1197.00  156.950 4.1015  173.112 6.3841  -16.16132      7.588062  
1 1 1 -16 14  11 o 159.820 3.3691  13845.87   583.192  14367.78   676.492  12335.54   1150.80  162.782 3.8370  150.608 7.0547  12.17314       8.030669  
1 1 1 -16 14  12 o 146.694 3.2585  11664.79   517.725  12313.31   602.463  9833.51    1012.38  150.697 3.6911  134.280 6.9850  16.41660       7.900264  
1 1 1 -16 14  13 o 238.052 4.4303  30747.76   1142.29  30571.52   1320.58  31271.44   2276.42  237.291 5.1382  239.404 8.7791  -2.113007      10.17222  
1 1 1 -16 14  14 o 137.387 3.2858  10233.91   488.937  9660.71    569.171  11848.00   955.104  133.450 3.9378  147.626 5.9733  -14.17581      7.154518  
1 1 1 -16 14  15 o 112.997 4.3056  6929.91    526.949  7493.21    767.958  6428.72    724.387  117.217 6.0697  108.533 6.1879  8.684517       8.667803  
1 1 1 -16 14  16 o 82.376  4.3994  3695.16    391.101  4224.77    583.085  3262.01    527.312  87.880  6.1650  77.135  6.3687  10.74501       8.863781  
1 1 1 -16 14  17 o 38.132  6.2184  812.695    247.975  0.0000     0.0000   812.695    247.975  ?       ?       38.132  6.2184  0.000000       6.218419  
1 1 1 -16 14  18 o 49.723  5.1375  1360.43    272.690  0.0000     0.0000   1360.43    272.690  ?       ?       49.723  5.1375  0.000000       5.137499  
1 1 1 -16 14  19 o 23.169  6.9501  297.447    188.281  0.0000     0.0000   297.447    188.281  ?       ?       23.169  6.9501  0.000000       6.950108  
1 1 1 -16 14  20 o 91.782  3.1774  4577.89    315.868  4557.48    485.467  4592.88    415.955  91.224  4.9317  91.815  4.1827  -0.5910339     6.466605  
1 1 1 -16 14  21 o 71.377  3.3717  2772.61    260.667  2848.52    389.847  2711.22    350.554  71.963  5.0334  70.283  4.6310  1.679794       6.839677  
1 1 1 -16 14  22 o 89.940  3.3151  4405.50    322.937  4880.38    459.702  3942.81    453.758  94.442  4.4941  84.650  4.9709  9.792023       6.701284  
1 1 1 -16 14  23 o 25.906  7.1611  386.465    207.643  300.847    317.245  450.633    274.643  24.934  9.0715  28.031  8.3908  -3.097422      12.35704  
1 1 1 -16 14  24 o 143.208 3.4391  11201.32   533.443  11759.52   774.281  10696.99   735.979  146.101 4.8930  139.353 4.8762  6.748596       6.907856  
1 1 1 -16 14  25 o 107.125 3.3123  6273.57    384.315  6511.94    549.213  6044.87    537.970  108.641 4.6674  104.639 4.7467  4.001678       6.657037  
1 1 1 -16 14  26 o 21.832  7.6129  252.037    221.150  468.895    352.138  110.799    284.184  28.532  9.6170  20.087  8.2180  8.445206       12.64998  
1 1 1 -16 14  27 o 17.327  7.1313  73.091     215.606  -124.2584  332.116  216.848    283.458  17.833  8.0591  21.996  8.4559  -4.162491      11.68124  
1 1 1 -16 14  28 o 9.1806  2.6907  46.919     28.482   33.108     344.249  47.014     28.580   20.072  8.6676  9.1907  2.6958  10.88130       9.077119  
1 1 1 -16 14  29 o 34.151  1.8029  637.292    66.450   639.898    68.029   583.104    310.255  34.215  1.8425  30.116  8.8957  4.098129       9.084506  
1 1 1 -16 14  30 o 61.994  5.1143  2237.36    340.334  2103.63    431.047  2458.71    554.578  58.446  6.9452  61.411  8.5714  -2.964699      11.03201  
1 1 1 -16 14  31 o 31.042  12.425  807.271    633.636  807.271    633.636  0.0000     0.0000   31.042  12.425  ?       ?       0.000000       12.42530  
1 1 1 -16 14  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 15  1  o 260.890 4.7022  36911.72   1328.71  37461.86   1878.15  36360.49   1880.02  262.648 6.6022  258.746 6.7084  3.901306       9.412285  
1 1 1 -16 15  2  o 229.382 4.2560  28527.16   1057.37  28391.86   1493.81  28663.02   1496.89  228.705 6.0304  229.796 6.0142  -1.090942      8.516856  
1 1 1 -16 15  3  o 300.138 5.2655  48871.30   1711.73  47830.72   2418.39  49915.95   2423.11  296.652 7.5268  303.070 7.3818  -6.418365      10.54244  
1 1 1 -16 15  4  o 433.655 7.3089  102197.70  3432.93  99472.86   4853.09  104926.60  4856.70  427.048 10.492  438.678 10.222  -11.63031      14.64831  
1 1 1 -16 15  5  o 482.092 7.1524  126293.70  3734.68  121216.60  4819.97  133921.09  5907.75  471.708 9.4341  495.282 11.013  -23.57324      14.50121  
1 1 1 -16 15  6  o 84.880  2.8092  3903.82    258.257  4017.24    296.327  3545.54    526.686  86.098  3.1777  80.584  6.0791  5.513962       6.859545  
1 1 1 -16 15  7  o 263.765 4.7418  37737.08   1354.65  36812.75   1562.97  40527.90   2715.81  260.439 5.5408  272.746 9.1933  -12.30652      10.73394  
1 1 1 -16 15  8  o 259.138 6.6606  36485.75   1869.44  36544.66   2641.91  36426.68   2645.68  258.923 9.4205  258.500 9.4495  0.4234924      13.34312  
1 1 1 -16 15  9  o 168.189 3.4713  15333.45   632.347  15462.35   730.510  14948.17   1262.95  168.869 3.9940  165.824 7.0318  3.045242       8.086913  
1 1 1 -16 15  10 o 261.990 4.7477  37238.97   1347.23  36406.12   1555.68  39737.14   2694.30  258.957 5.5465  269.957 9.2147  -10.99951      10.75521  
1 1 1 -16 15  11 f 52.874  2.1896  1514.60    125.391  1303.80    229.317  1604.51    149.763  48.831  4.3825  54.417  2.5410  -5.585716      5.065820  
1 1 1 -16 15  12 o 169.630 3.7958  15603.10   697.388  15314.21   769.904  16923.59   1646.03  168.026 4.2305  176.186 8.6257  -8.160309      9.607285  
1 1 1 -16 15  13 o 333.773 5.8116  60532.14   2100.97  60769.95   2427.12  59821.37   4196.05  334.245 6.7043  330.126 11.735  4.118439       13.51531  
1 1 1 -16 15  14 o 52.540  3.9008  1505.64    220.398  1604.44    277.988  1338.42    361.639  54.152  4.7889  49.097  6.9988  5.055576       8.480385  
1 1 1 -16 15  15 o 174.914 3.6168  16594.79   685.200  16755.30   795.429  16133.07   1349.11  175.711 4.1796  172.057 7.2395  3.654633       8.359354  
1 1 1 -16 15  16 o 88.337  4.3452  4237.27    415.747  4523.02    613.721  3994.94    565.184  90.924  6.2702  85.443  6.1483  5.481194       8.781655  
1 1 1 -16 15  17 o 120.018 4.3369  7825.73    563.756  0.0000     0.0000   7825.73    563.756  ?       ?       120.018 4.3369  0.000000       4.336855  
1 1 1 -16 15  18 o 17.796  7.1734  77.739     212.818  0.0000     0.0000   77.739     212.818  ?       ?       17.796  7.1734  0.000000       7.173391  
1 1 1 -16 15  19 o 124.143 4.3712  8389.67    587.749  0.0000     0.0000   8389.67    587.749  ?       ?       124.143 4.3712  0.000000       4.371186  
1 1 1 -16 15  20 f 164.601 4.9460  14798.75   881.776  0.0000     0.0000   14798.75   881.776  ?       ?       164.601 4.9460  0.000000       4.946005  
1 1 1 -16 15  21 o 20.709  7.2124  214.053    198.467  -89.1183   293.890  468.230    269.097  17.558  7.7820  28.635  8.2355  -11.07698      11.33067  
1 1 1 -16 15  22 o 61.106  3.9211  2046.40    258.144  2031.33    366.491  2061.23    363.666  60.494  5.6592  60.964  5.5690  -0.4706230     7.939827  
1 1 1 -16 15  23 o 35.867  1.9345  700.322    74.873   548.863    380.595  706.419    76.365   31.054  9.9762  36.021  1.9648  -4.966713      10.16788  
1 1 1 -16 15  24 o 69.813  2.8489  2655.03    215.419  2840.25    442.719  2597.58    246.578  71.340  5.7793  68.984  3.3002  2.355820       6.655200  
1 1 1 -16 15  25 o 60.204  2.3620  1972.42    154.017  2142.99    173.277  1330.56    336.130  62.728  2.5504  48.264  6.6032  14.46390       7.078641  
1 1 1 -16 15  26 o 34.916  6.1887  704.552    225.472  373.771    341.435  960.349    300.251  26.373  9.4352  40.555  7.0939  -14.18198      11.80454  
1 1 1 -16 15  27 o 19.555  7.5205  163.774    224.267  557.451    361.986  -81.4649   285.704  30.278  9.7295  16.972  7.5878  13.30658       12.33848  
1 1 1 -16 15  28 o 40.336  5.9759  943.362    253.178  620.420    371.437  1223.60    346.010  31.402  9.8280  45.376  7.2870  -13.97328      12.23480  
1 1 1 -16 15  29 o 19.359  7.5275  169.747    226.605  264.797    353.158  103.225    295.446  23.448  9.3119  19.603  8.2303  3.844992       12.42777  
1 1 1 -16 15  30 o 34.882  8.0722  795.813    298.929  842.849    381.198  720.695    481.734  34.560  9.7566  31.082  11.198  3.477953       14.85218  
1 1 1 -16 15  31 o 20.097  9.6205  -344.3502  595.737  -344.3502  595.737  0.0000     0.0000   20.097  9.6205  ?       ?       0.000000       9.620543  
1 1 1 -16 15  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 16  1  o 383.199 6.5675  79744.01   2725.81  77399.20   3853.89  82091.24   3855.88  376.966 9.4390  388.287 9.1686  -11.32077      13.15894  
1 1 1 -16 16  2  o 155.019 3.2857  13022.98   551.681  12703.63   774.630  13351.67   785.882  153.052 4.6729  156.909 4.6242  -3.857468      6.574147  
1 1 1 -16 16  3  o 35.289  3.6396  682.156    137.115  690.324    175.118  669.215    220.429  35.370  4.6865  34.603  6.1046  0.7671547      7.696082  
1 1 1 -16 16  4  o 91.592  2.7547  4545.44    273.278  4333.53    374.706  4786.22    399.425  89.410  3.8693  93.963  3.9247  -4.552742      5.511364  
1 1 1 -16 16  5  o 163.809 3.4150  14543.20   605.892  14486.83   698.655  14714.19   1216.86  163.470 3.9460  164.576 6.8266  -1.105621      7.884995  
1 1 1 -16 16  6  o 284.247 5.0545  43832.92   1556.12  43610.42   1796.06  44502.75   3116.35  283.440 5.8505  285.663 10.072  -2.223083      11.64799  
1 1 1 -16 16  7  o 259.950 4.6548  36651.91   1310.58  36251.02   1512.16  37862.03   2627.23  258.455 5.4019  263.611 9.2016  -5.155945      10.67005  
1 1 1 -16 16  8  o 321.643 7.9285  56287.93   2762.06  53293.88   3903.60  59289.80   3908.69  312.158 11.546  329.411 10.955  -17.25333      15.91608  
1 1 1 -16 16  9  o 510.822 9.2413  142248.80  5112.95  142405.91  5460.39  141130.80  14566.31 510.867 9.8684  495.801 27.229  15.06619       28.96249  
1 1 1 -16 16  10 o 145.808 3.2365  11523.24   511.121  11755.30   589.886  10824.18   1023.83  147.250 3.6986  141.119 6.6984  6.130859       7.651739  
1 1 1 -16 16  11 o 316.145 5.5376  54268.80   1896.15  53995.71   2189.90  55086.83   3790.18  315.207 6.4144  317.288 11.029  -2.081055      12.75866  
1 1 1 -16 16  12 o 162.089 3.4623  14243.76   607.834  14625.75   706.156  13151.35   1194.16  164.220 3.9701  155.478 7.0913  8.741989       8.126987  
1 1 1 -16 16  13 o 46.464  4.0203  1179.79    200.331  1190.87    246.922  1158.44    342.674  46.573  4.9719  45.589  7.1771  0.9840164      8.731011  
1 1 1 -16 16  14 o 146.023 3.3045  11561.22   522.628  12026.04   611.425  10300.47   1006.97  148.901 3.7912  137.568 6.7582  11.33286       7.748954  
1 1 1 -16 16  15 o 209.747 3.9961  23871.72   907.834  24742.73   1052.55  21341.37   1794.00  213.477 4.5522  197.661 8.3797  15.81538       9.536371  
1 1 1 -16 16  16 o 20.820  7.1153  216.815    192.784  330.516    242.055  19.578     318.806  24.873  7.9523  20.152  8.5097  4.720915       11.64705  
1 1 1 -16 16  17 o 27.358  6.4791  424.630    189.027  466.036    318.302  402.072    234.941  29.205  9.0910  26.802  7.6913  2.403252       11.90809  
1 1 1 -16 16  18 o 59.159  4.6283  1915.77    294.195  0.0000     0.0000   1915.77    294.195  ?       ?       59.159  4.6283  0.000000       4.628273  
1 1 1 -16 16  19 o 42.277  5.5989  992.975    250.068  0.0000     0.0000   992.975    250.068  ?       ?       42.277  5.5989  0.000000       5.598920  
1 1 1 -16 16  20 o 18.843  7.3191  125.226    214.060  0.0000     0.0000   125.226    214.060  ?       ?       18.843  7.3191  0.000000       7.319132  
1 1 1 -16 16  21 o 18.775  7.8163  51.016     263.171  0.0000     0.0000   51.016     263.171  ?       ?       18.775  7.8163  0.000000       7.816302  
1 1 1 -16 16  22 o 129.785 4.6865  9226.85    658.785  0.0000     0.0000   9226.85    658.785  ?       ?       129.785 4.6865  0.000000       4.686489  
1 1 1 -16 16  23 o 145.089 3.5771  11491.94   562.121  11566.53   797.519  11418.29   792.424  144.971 5.0791  144.039 5.0793  0.9320679      7.183109  
1 1 1 -16 16  24 o 90.517  3.0452  4467.48    298.547  4632.76    502.377  4377.24    371.203  91.488  5.0900  89.421  3.8327  2.066269       6.371629  
1 1 1 -16 16  25 o 71.481  3.5065  2797.13    271.478  3574.33    445.792  2338.99    342.263  80.150  5.1627  64.860  4.9084  15.28957       7.123599  
1 1 1 -16 16  26 o 46.234  2.1112  1163.05    105.722  1181.19    112.351  1022.77    312.411  46.581  2.2269  41.850  7.1489  4.730434       7.487692  
1 1 1 -16 16  27 o 79.009  3.6188  3435.88    309.678  3956.76    475.618  3052.55    408.014  83.892  5.2611  73.708  5.1430  10.18305       7.357273  
1 1 1 -16 16  28 o 91.898  3.6131  4661.67    359.627  4530.39    534.057  4770.59    486.449  89.307  5.5486  92.126  4.8926  -2.819382      7.397633  
1 1 1 -16 16  29 o 13.308  6.2102  -170.0196  220.300  -231.5801  347.016  -128.4599  285.125  16.659  7.7808  15.988  7.3188  0.6711178      10.68201  
1 1 1 -16 16  30 o 22.465  1.7522  277.205    42.297   274.040    42.476   649.760    460.866  22.333  1.7705  29.867  10.923  -7.533989      11.06593  
1 1 1 -16 16  31 f 22.967  10.598  35.071     614.741  35.071     614.741  0.0000     0.0000   22.967  10.598  ?       ?       0.000000       10.59831  
1 1 1 -16 16  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 17  1  o 108.375 2.8607  6364.06    335.797  6633.10    469.861  6083.19    480.082  110.616 3.9218  105.924 4.1845  4.691818       5.735034  
1 1 1 -16 17  2  f 119.429 2.9441  7728.71    380.825  7447.42    527.271  8035.47    550.625  117.202 4.1536  121.741 4.1759  -4.538567      5.889867  
1 1 1 -16 17  3  o 305.736 5.3786  50717.93   1781.08  49723.42   2516.60  51715.98   2521.07  302.423 7.6830  308.445 7.5464  -6.021088      10.76919  
1 1 1 -16 17  4  o 235.865 3.9076  30158.55   998.265  30798.96   1286.99  29191.31   1581.65  238.280 4.9868  231.863 6.2981  6.416809       8.033297  
1 1 1 -16 17  5  o 245.319 4.4833  32636.04   1191.25  32490.87   1374.79  33073.45   2386.39  244.716 5.1868  246.456 8.9399  -1.739914      10.33561  
1 1 1 -16 17  6  f 279.101 4.9788  42258.68   1505.07  42811.04   1737.27  40596.75   3013.47  280.843 5.7113  272.805 10.199  8.037994       11.68897  
1 1 1 -16 17  7  o 183.260 3.7986  18206.77   753.983  18381.66   827.012  17345.61   1835.11  184.120 4.1471  178.127 9.5465  5.992737       10.40835  
1 1 1 -16 17  8  o 121.914 3.4376  8056.27    453.917  7489.36    551.499  9246.85    799.216  117.516 4.3329  130.514 5.6538  -12.99779      7.123144  
1 1 1 -16 17  9  o 273.098 6.3353  40517.12   1873.94  39418.20   2089.19  45040.95   4238.84  269.252 7.1639  286.308 13.669  -17.05634      15.43271  
1 1 1 -16 17  10 o 185.238 3.7321  18603.52   748.779  17977.31   865.231  20471.52   1494.37  182.054 4.3880  194.024 7.1110  -11.97037      8.355890  
1 1 1 -16 17  11 o 44.664  3.9954  1090.42    191.235  1079.95    233.726  1111.61    332.624  44.335  4.9519  44.663  7.1147  -0.3274345     8.668362  
1 1 1 -16 17  12 o 184.176 3.7191  18393.43   741.891  18629.79   859.977  17705.69   1466.95  185.317 4.2845  180.346 7.5100  4.970932       8.646185  
1 1 1 -16 17  13 o 70.659  3.1439  2706.49    240.608  2754.58    286.150  2590.43    444.520  71.172  3.7250  68.775  6.0284  2.397705       7.086363  
1 1 1 -16 17  14 o 156.980 3.3752  13362.32   573.873  13926.37   668.512  11782.43   1118.82  160.229 3.8521  147.099 7.0224  13.13013       8.009515  
1 1 1 -16 17  15 o 173.243 3.6147  16280.42   678.259  16401.48   792.256  15948.18   1312.44  173.835 4.2078  171.067 7.0834  2.767975       8.238951  
1 1 1 -16 17  16 o 275.272 4.9251  41182.34   1468.42  41855.79   1698.60  39190.36   2921.32  277.357 5.6543  267.016 10.101  10.34152       11.57608  
1 1 1 -16 17  17 f 181.483 3.7258  17880.91   732.359  17970.81   850.886  17623.96   1438.51  181.861 4.3198  179.519 7.3983  2.341232       8.567093  
1 1 1 -16 17  18 o 119.797 3.1109  7789.05    403.644  8373.82    589.302  7272.22    554.010  124.078 4.3850  115.624 4.4238  8.453545       6.228860  
1 1 1 -16 17  19 o 49.482  4.2614  1342.59    226.156  1657.27    433.030  1224.57    265.196  54.381  7.5561  47.074  5.2932  7.307468       9.225631  
1 1 1 -16 17  20 o 165.977 4.9673  15053.92   892.965  0.0000     0.0000   15053.92   892.965  ?       ?       165.977 4.9673  0.000000       4.967262  
1 1 1 -16 17  21 o 117.256 4.4979  7513.79    571.231  0.0000     0.0000   7513.79    571.231  ?       ?       117.256 4.4979  0.000000       4.497853  
1 1 1 -16 17  22 o 62.358  5.1647  2149.54    345.688  0.0000     0.0000   2149.54    345.688  ?       ?       62.358  5.1647  0.000000       5.164745  
1 1 1 -16 17  23 o 48.385  6.1009  1316.87    312.612  0.0000     0.0000   1316.87    312.612  ?       ?       48.385  6.1009  0.000000       6.100885  
1 1 1 -16 17  24 o 34.176  7.9636  686.949    289.321  0.0000     0.0000   686.949    289.321  ?       ?       34.176  7.9636  0.000000       7.963579  
1 1 1 -16 17  25 o 110.477 3.2848  6673.42    393.051  7507.84    616.410  6101.69    510.236  116.508 4.8848  105.208 4.4777  11.29993       6.626514  
1 1 1 -16 17  26 o 40.168  5.6816  919.529    240.286  990.562    389.236  875.791    305.432  40.329  9.1241  38.476  7.5988  1.853802       11.87400  
1 1 1 -16 17  27 o 57.977  2.3641  1833.08    148.454  1942.43    165.070  1370.49    339.518  59.646  2.5552  48.616  6.6200  11.02967       7.095957  
1 1 1 -16 17  28 o 45.097  5.5430  1166.69    265.043  1320.69    451.289  1085.60    327.470  45.832  9.4064  42.605  7.3627  3.226685       11.94527  
1 1 1 -16 17  29 o 12.518  2.8267  89.576     37.417   484.906    384.198  85.791     37.596   27.743  9.9997  12.243  2.8829  15.49981       10.40702  
1 1 1 -16 17  30 o 40.689  2.1141  909.847    92.849   907.619    94.625   967.527    481.471  40.627  2.1582  35.598  11.197  5.028782       11.40341  
1 1 1 -16 17  31 o 28.432  12.685  566.929    794.072  566.929    794.072  0.0000     0.0000   28.432  12.685  ?       ?       0.000000       12.68509  
1 1 1 -16 17  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 18  1  o 344.702 6.0322  64502.79   2252.10  64059.79   3183.80  64946.42   3186.10  343.096 8.5676  345.472 8.5148  -2.376526      12.07917  
1 1 1 -16 18  2  o 147.645 3.2025  11813.36   512.122  11442.64   718.823  12195.49   729.802  145.259 4.5689  149.965 4.4931  -4.705841      6.408012  
1 1 1 -16 18  3  o 452.841 7.5918  111481.20  3723.57  105792.70  5263.85  117178.70  5268.00  440.196 11.040  463.460 10.495  -23.26358      15.23244  
1 1 1 -16 18  4  o 398.797 7.3786  86445.18   3187.12  85375.36   3411.18  93795.85   8941.54  396.205 7.9490  410.595 20.106  -14.39008      21.62044  
1 1 1 -16 18  5  o 142.857 3.1617  11059.60   489.206  10659.48   563.401  12285.70   986.250  140.230 3.7094  150.429 6.0532  -10.19893      7.099353  
1 1 1 -16 18  6  o 323.375 5.6286  56758.38   1971.42  55842.73   2275.57  59513.33   3947.16  320.629 6.5527  330.077 11.041  -9.448761      12.83885  
1 1 1 -16 18  7  o 159.364 3.5271  13766.20   608.801  13407.92   674.128  15350.66   1417.66  157.258 3.9579  167.988 7.7915  -10.73083      8.739116  
1 1 1 -16 18  8  o 215.554 4.7233  25205.13   1102.74  24976.72   1349.06  25665.06   1914.33  214.482 5.8072  217.150 8.1393  -2.667999      9.998566  
1 1 1 -16 18  9  o 209.745 4.6344  23864.89   1052.82  23572.53   1292.53  24441.30   1814.89  208.363 5.7273  211.920 7.9069  -3.556961      9.763239  
1 1 1 -16 18  10 f 101.619 3.4787  5597.93    382.875  5731.15    475.478  5352.25    645.718  102.795 4.2706  99.081  6.0459  3.713921       7.402120  
1 1 1 -16 18  11 o 196.024 3.8456  20836.06   816.484  20403.56   944.073  22119.62   1626.37  193.933 4.4945  201.617 7.4477  -7.683105      8.698811  
1 1 1 -16 18  12 o 223.441 4.2220  27082.55   1021.76  27096.26   1180.68  27041.67   2039.08  223.435 4.8788  222.715 8.4531  0.7202454      9.759967  
1 1 1 -16 18  13 o 140.147 3.2497  10648.33   493.291  10586.15   572.850  10826.69   970.267  139.710 3.7857  141.101 6.3488  -1.390320      7.391781  
1 1 1 -16 18  14 o 286.012 5.1304  44431.59   1589.31  43938.58   1836.33  45903.21   3172.66  284.274 5.9641  289.479 10.119  -5.205475      11.74580  
1 1 1 -16 18  15 o 133.329 3.2438  9640.07    468.440  10053.86   551.342  8566.04    888.260  136.130 3.7393  125.251 6.5707  10.87994       7.560167  
1 1 1 -16 18  16 o 103.301 3.1765  5787.71    355.404  6103.63    427.140  5076.87    640.721  106.053 3.7186  96.353  6.1720  9.700111       7.205631  
1 1 1 -16 18  17 o 30.804  6.5055  537.216    210.245  679.990    270.374  318.836    334.387  34.610  7.4344  26.064  9.3360  8.545769       11.93444  
1 1 1 -16 18  18 o 28.013  6.1445  445.234    181.302  659.773    297.241  318.130    228.790  33.972  8.1768  24.288  7.7278  9.684603       11.25072  
1 1 1 -16 18  19 o 81.236  3.2266  3584.83    283.902  3333.56    442.053  3761.23    370.383  77.965  5.2657  83.131  4.1136  -5.165703      6.682020  
1 1 1 -16 18  20 o 140.233 3.3183  10693.96   504.008  10264.99   723.803  11097.75   702.237  137.063 4.8756  142.597 4.5468  -5.533890      6.666673  
1 1 1 -16 18  21 o 78.770  4.6599  3405.23    395.796  0.0000     0.0000   3405.23    395.796  ?       ?       78.770  4.6599  0.000000       4.659876  
1 1 1 -16 18  22 o 132.941 4.7436  9686.72    683.035  0.0000     0.0000   9686.72    683.035  ?       ?       132.941 4.7436  0.000000       4.743649  
1 1 1 -16 18  23 o 82.506  4.6173  3748.85    410.957  0.0000     0.0000   3748.85    410.957  ?       ?       82.506  4.6173  0.000000       4.617283  
1 1 1 -16 18  24 o 50.496  5.9177  1434.99    317.516  0.0000     0.0000   1434.99    317.516  ?       ?       50.496  5.9177  0.000000       5.917693  
1 1 1 -16 18  25 o 112.792 4.5484  7018.52    555.664  0.0000     0.0000   7018.52    555.664  ?       ?       112.792 4.5484  0.000000       4.548442  
1 1 1 -16 18  26 o 22.546  1.3609  276.831    33.078   0.0000     0.0000   276.831    33.078   ?       ?       22.546  1.3609  0.000000       1.360931  
1 1 1 -16 18  27 o 78.091  3.6942  3359.46    312.460  3904.81    491.366  2989.22    404.862  83.187  5.4843  72.914  5.1599  10.27334       7.530098  
1 1 1 -16 18  28 o 63.383  4.2971  2246.37    293.258  2511.26    491.067  2099.54    365.612  65.370  7.0472  60.588  5.6360  4.781395       9.023702  
1 1 1 -16 18  29 o 37.985  7.0643  882.370    279.946  1002.26    485.716  822.733    342.567  37.581  11.138  35.504  8.9197  2.076645       14.26949  
1 1 1 -16 18  30 o 23.165  9.0642  306.784    330.163  396.119    483.389  228.664    452.028  25.890  10.670  23.374  10.010  2.516014       14.63036  
1 1 1 -16 18  31 o 23.268  11.113  -181.9718  785.255  -181.9718  785.255  0.0000     0.0000   23.268  11.113  ?       ?       0.000000       11.11322  
1 1 1 -16 18  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 19  1  o 134.607 3.0775  9818.70    448.675  9077.02    629.355  10585.25   639.820  129.377 4.4913  139.723 4.2278  -10.34653      6.168150  
1 1 1 -16 19  2  o 202.509 3.9017  22231.83   855.785  21760.34   1205.94  22710.13   1214.63  200.245 5.5602  204.574 5.4818  -4.329391      7.808107  
1 1 1 -16 19  3  o 176.140 3.5282  16816.04   673.105  17042.55   775.909  16127.12   1353.17  177.299 4.0405  172.261 7.2526  5.038330       8.302176  
1 1 1 -16 19  4  f 229.496 4.2911  28558.68   1066.63  29059.78   1230.74  27046.52   2137.99  231.456 4.9094  222.882 8.8565  8.574448       10.12616  
1 1 1 -16 19  5  o 262.147 5.0081  37281.09   1421.95  38004.00   1534.26  32878.43   3786.29  264.643 5.3526  244.237 14.376  20.40662       15.34060  
1 1 1 -16 19  6  o 302.673 5.3629  49714.88   1758.10  51092.34   2029.48  45572.66   3519.35  306.743 6.1086  288.774 11.252  17.96875       12.80332  
1 1 1 -16 19  7  o 133.928 3.1676  9720.88    459.493  9694.29    516.935  9821.00    1002.95  133.731 3.5689  134.252 6.9210  -0.5201416     7.786977  
1 1 1 -16 19  8  f 234.419 5.0147  29816.85   1273.24  29051.70   1557.60  31357.77   2210.40  231.272 6.2182  239.967 8.5045  -8.695236      10.53528  
1 1 1 -16 19  9  o 294.005 6.5803  46973.19   2095.41  47021.89   2330.96  46768.12   4783.37  294.038 7.3192  290.809 15.239  3.229034       16.90597  
1 1 1 -16 19  10 o 205.037 3.9782  22796.97   883.462  23236.43   1020.74  21484.89   1763.77  206.961 4.5536  198.624 8.1986  8.337524       9.378304  
1 1 1 -16 19  11 o 82.902  3.0731  3725.01    275.938  3548.71    324.219  4188.29    525.570  80.901  3.7001  87.648  5.5651  -6.746819      6.682940  
1 1 1 -16 19  12 o 317.862 5.5845  54878.65   1922.63  54978.82   2220.67  54578.79   3842.09  317.996 6.4475  315.573 11.241  2.423004       12.95864  
1 1 1 -16 19  13 o 278.858 5.0340  42223.93   1520.42  41001.43   1757.12  45866.56   3033.09  274.654 5.9067  289.607 9.6695  -14.95255      11.33090  
1 1 1 -16 19  14 o 282.650 5.0642  43391.38   1550.36  43858.36   1791.55  41998.85   3093.74  284.034 5.8236  276.811 10.319  7.222534       11.84872  
1 1 1 -16 19  15 o 106.105 3.2375  6105.33    372.064  5871.93    442.740  6666.41    686.440  104.023 3.9296  110.561 5.7522  -6.538048      6.966307  
1 1 1 -16 19  16 o 148.055 3.4656  11892.96   555.740  11495.57   651.190  12958.35   1066.23  145.504 4.1320  154.203 6.3839  -8.699570      7.604467  
1 1 1 -16 19  17 o 124.969 3.2715  8474.63    442.805  8575.39    523.949  8222.77    828.354  125.661 3.8496  122.613 6.2583  3.047958       7.347543  
1 1 1 -16 19  18 o 18.483  6.7117  153.809    173.543  349.789    288.810  43.059     217.110  25.952  8.7096  17.202  7.1252  8.750483       11.25285  
1 1 1 -16 19  19 o 129.298 3.2303  9082.46    452.382  9021.95    666.947  9134.01    615.656  128.623 4.7874  129.491 4.3896  -0.8679047     6.495249  
1 1 1 -16 19  20 o 157.545 3.4789  13504.46   593.631  13553.71   849.885  13457.55   829.526  157.447 4.9838  156.918 4.8808  0.5289917      6.975645  
1 1 1 -16 19  21 o 26.616  1.8549  386.108    53.138   378.552    54.129   586.897    279.037  26.348  1.9097  31.834  8.0791  -5.486855      8.301776  
1 1 1 -16 19  22 o 72.423  3.5627  2860.20    279.465  3098.21    421.048  2672.77    373.633  74.907  5.2223  69.609  4.9888  5.298065       7.222231  
1 1 1 -16 19  23 o 24.845  8.5150  327.333    276.104  0.0000     0.0000   327.333    276.104  ?       ?       24.845  8.5150  0.000000       8.515002  
1 1 1 -16 19  24 o 115.968 4.5280  7397.32    568.740  0.0000     0.0000   7397.32    568.740  ?       ?       115.968 4.5280  0.000000       4.527990  
1 1 1 -16 19  25 o 52.148  5.8565  1535.87    325.063  0.0000     0.0000   1535.87    325.063  ?       ?       52.148  5.8565  0.000000       5.856481  
1 1 1 -16 19  26 o 26.803  8.6332  417.957    284.875  0.0000     0.0000   417.957    284.875  ?       ?       26.803  8.6332  0.000000       8.633164  
1 1 1 -16 19  27 o 36.682  2.0484  734.843    81.060   0.0000     0.0000   734.843    81.060   ?       ?       36.682  2.0484  0.000000       2.048419  
1 1 1 -16 19  28 o 36.541  8.1131  821.930    312.727  0.0000     0.0000   821.930    312.727  ?       ?       36.541  8.1131  0.000000       8.113077  
1 1 1 -16 19  29 o 17.985  7.8638  14.401     290.794  -26.2850   760.512  21.368     314.709  25.715  11.838  18.687  8.1754  7.028320       14.38677  
1 1 1 -16 19  30 f 28.911  11.178  598.412    497.539  598.412    497.539  0.0000     0.0000   28.911  11.178  ?       ?       0.000000       11.17837  
1 1 1 -16 19  31 o 25.401  11.901  131.939    822.746  131.939    822.746  0.0000     0.0000   25.401  11.901  ?       ?       0.000000       11.90141  
1 1 1 -16 19  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 20  1  o 212.618 4.2467  24511.65   977.955  24055.77   1477.13  24867.42   1304.90  210.460 6.4801  214.056 5.6283  -3.596085      8.583097  
1 1 1 -16 20  2  o 135.394 2.7563  9932.60    404.201  9604.93    517.372  10445.89   647.543  133.118 3.5884  138.796 4.3074  -5.678528      5.606281  
1 1 1 -16 20  3  o 166.015 3.3960  14937.51   610.642  15731.79   703.992  12524.11   1227.14  170.354 3.8154  151.785 7.4644  18.56969       8.383033  
1 1 1 -16 20  4  o 74.049  2.7324  2970.98    219.147  3073.15    251.273  2646.30    447.931  75.306  3.0807  69.560  6.0042  5.746017       6.748449  
1 1 1 -16 20  5  o 57.912  2.8848  1817.30    180.944  1904.36    207.120  1536.70    371.850  59.189  3.2431  52.773  6.6535  6.416573       7.401835  
1 1 1 -16 20  6  o 122.669 3.0152  8154.42    400.607  8486.01    460.699  7126.25    811.243  125.127 3.3994  114.345 6.5781  10.78156       7.404504  
1 1 1 -16 20  7  o 401.620 6.8372  87657.14   2974.17  87640.71   3433.00  87706.58   5954.99  401.349 7.8974  399.615 13.758  1.733582       15.86388  
1 1 1 -16 20  8  o 466.249 8.9394  118454.50  4514.35  112493.90  5526.95  130401.40  7824.70  453.555 11.251  486.577 14.847  -33.02197      18.62855  
1 1 1 -16 20  9  o 245.662 5.2277  32754.51   1390.97  32718.85   1702.98  32825.99   2410.93  245.392 6.4074  245.387 9.0711  0.4913330E-02  11.10584  
1 1 1 -16 20  10 o 311.294 5.4911  52611.98   1851.40  51738.45   2137.59  55234.79   3703.97  308.559 6.3961  317.816 10.760  -9.256866      12.51770  
1 1 1 -16 20  11 o 146.393 3.3461  11617.50   530.559  11198.12   615.197  12834.89   1048.15  143.698 3.9527  153.677 6.2971  -9.979187      7.434897  
1 1 1 -16 20  12 o 73.374  3.1274  2918.36    248.541  3018.55    294.814  2672.23    462.105  74.610  3.6482  69.847  6.1718  4.763412       7.169440  
1 1 1 -16 20  13 o 28.998  5.9941  473.948    182.038  549.705    225.486  332.165    308.476  31.178  6.8632  25.981  8.9950  5.197308       11.31430  
1 1 1 -16 20  14 o 338.527 5.9153  62313.81   2168.89  60843.66   2505.44  66709.84   4332.46  334.261 6.9204  348.322 11.484  -14.06137      13.40773  
1 1 1 -16 20  15 o 179.022 3.6666  17387.58   710.946  17756.12   827.587  16349.57   1388.90  180.856 4.2248  173.116 7.4074  7.740265       8.527490  
1 1 1 -16 20  16 o 183.498 3.7151  18274.72   738.364  18851.70   858.462  16634.51   1447.42  186.309 4.2542  174.451 7.6604  11.85750       8.762411  
1 1 1 -16 20  17 o 180.951 3.7296  17780.24   730.950  18009.10   852.023  17142.22   1422.58  182.027 4.3216  176.967 7.4219  5.059830       8.588391  
1 1 1 -16 20  18 o 147.329 3.3203  11786.90   529.829  12587.17   763.569  11043.81   735.786  152.051 4.6365  142.403 4.7705  9.648651       6.652397  
1 1 1 -16 20  19 o 132.804 3.2096  9582.23    461.671  10731.99   680.696  8602.79    628.255  140.332 4.4784  125.618 4.6176  14.71439       6.432623  
1 1 1 -16 20  20 o 39.252  4.9780  855.610    206.878  583.442    334.535  1024.15    263.250  31.906  9.1843  42.823  5.8270  -10.91784      10.87681  
1 1 1 -16 20  21 o 74.818  3.4616  3048.71    280.513  3543.11    420.477  2652.20    376.557  80.294  4.8578  69.386  5.0451  10.90838       7.003665  
1 1 1 -16 20  22 o 61.690  3.8573  2085.95    256.441  2559.31    387.650  1717.60    341.958  68.018  5.3039  55.523  5.7706  12.49525       7.837807  
1 1 1 -16 20  23 o 51.514  2.2034  1441.79    122.939  1538.65    133.624  907.756    313.762  53.207  2.3187  39.586  7.5942  13.62148       7.940307  
1 1 1 -16 20  24 o 62.830  4.0367  2173.33    273.252  2405.98    448.503  2036.00    344.591  65.337  6.4207  60.440  5.3181  4.897118       8.337102  
1 1 1 -16 20  25 o 34.388  7.9871  702.845    291.796  0.0000     0.0000   702.845    291.796  ?       ?       34.388  7.9871  0.000000       7.987095  
1 1 1 -16 20  26 o 53.952  5.7716  1650.44    332.033  0.0000     0.0000   1650.44    332.033  ?       ?       53.952  5.7716  0.000000       5.771604  
1 1 1 -16 20  27 o 98.814  4.6147  5431.80    493.898  0.0000     0.0000   5431.80    493.898  ?       ?       98.814  4.6147  0.000000       4.614748  
1 1 1 -16 20  28 o 58.071  5.7124  1935.62    354.643  0.0000     0.0000   1935.62    354.643  ?       ?       58.071  5.7124  0.000000       5.712431  
1 1 1 -16 20  29 o 26.851  8.9469  461.600    304.785  0.0000     0.0000   461.600    304.785  ?       ?       26.851  8.9469  0.000000       8.946878  
1 1 1 -16 20  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 20  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 20  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 21  1  o 256.684 4.7262  35736.11   1313.95  36969.73   1856.32  34497.43   1860.11  260.890 6.5694  251.988 6.8154  8.902740       9.466055  
1 1 1 -16 21  2  f 74.653  2.7063  3019.63    218.824  3121.88    250.018  2684.87    452.393  75.901  3.0412  70.067  6.0196  5.834221       6.744246  
1 1 1 -16 21  3  o 136.475 3.0746  10093.17   454.481  9812.81    522.465  10965.10   921.372  134.550 3.5851  142.117 5.9857  -7.567657      6.977256  
1 1 1 -16 21  4  o 307.301 5.4145  51246.35   1802.15  51231.85   2079.75  51290.02   3610.52  307.152 6.2515  306.475 10.877  0.6771545      12.54548  
1 1 1 -16 21  5  f 182.362 4.2119  18032.79   831.923  17918.42   1016.90  18264.24   1446.61  181.724 5.1665  183.296 7.2867  -1.571503      8.932425  
1 1 1 -16 21  6  o 196.205 3.9606  20871.83   841.675  21257.18   918.969  18865.81   2096.71  197.989 4.2854  185.612 10.472  12.37704       11.31515  
1 1 1 -16 21  7  o 220.089 4.0746  26265.25   971.305  25345.42   1119.49  29066.28   1953.55  216.150 4.7818  231.141 7.8033  -14.99115      9.151883  
1 1 1 -16 21  8  o 81.333  3.3771  3585.63    297.501  3791.55    359.571  3138.75    529.696  83.622  3.9700  75.727  6.5217  7.895241       7.635066  
1 1 1 -16 21  9  f 201.894 4.5305  22111.19   990.690  21759.41   1213.66  22813.64   1715.03  200.193 5.5973  204.749 7.7336  -4.555405      9.546603  
1 1 1 -16 21  10 o 120.662 3.0523  7890.86    398.900  7250.75    460.253  9823.18    799.664  115.644 3.6745  134.509 5.4889  -18.86499      6.605340  
1 1 1 -16 21  11 o 193.308 3.8140  20263.34   798.545  19292.87   921.957  23177.88   1597.73  188.572 4.5140  206.402 7.1469  -17.82965      8.453109  
1 1 1 -16 21  12 o 137.523 3.2370  10252.78   482.165  10242.15   561.688  10282.55   939.992  137.427 3.7736  137.525 6.3106  -0.9799194E-01 7.352822  
1 1 1 -16 21  13 o 264.170 5.0247  37895.59   1437.68  38474.12   1552.69  34418.77   3806.40  266.125 5.3868  249.044 14.170  17.08153       15.15932  
1 1 1 -16 21  14 o 259.018 4.6865  36427.40   1314.77  37643.40   1520.64  32826.31   2616.83  263.205 5.3341  244.794 9.8697  18.41124       11.21891  
1 1 1 -16 21  15 o 213.213 4.1225  24676.19   952.011  24670.96   1102.96  24691.45   1885.29  213.105 4.7786  212.551 8.1893  0.5536652      9.481489  
1 1 1 -16 21  16 o 189.156 3.8418  19423.39   787.095  19078.81   912.612  20424.00   1555.16  187.387 4.4965  193.331 7.4268  -5.944046      8.681970  
1 1 1 -16 21  17 o 150.521 3.4728  12299.54   566.162  11930.32   661.306  13312.95   1095.59  148.171 4.1207  156.129 6.4788  -7.958420      7.678198  
1 1 1 -16 21  18 o 79.491  3.3126  3431.55    285.205  3353.38    345.513  3598.71    505.263  78.419  4.0821  80.969  5.7999  -2.549995      7.092350  
1 1 1 -16 21  19 o 44.770  4.3012  1101.86    206.004  1198.97    343.339  1047.24    257.504  46.170  7.0928  43.405  5.6086  2.764805       9.042328  
1 1 1 -16 21  20 f 25.553  7.1631  371.183    206.227  284.640    315.452  435.778    272.531  24.760  9.0400  27.813  8.3659  -3.053520      12.31708  
1 1 1 -16 21  21 f 125.395 3.3173  8560.65    450.547  8118.70    648.211  8973.71    626.673  121.730 4.9164  128.095 4.5169  -6.365021      6.676325  
1 1 1 -16 21  22 f 81.945  3.4183  3660.55    303.391  3569.12    449.472  3737.07    411.197  80.412  5.1884  82.448  4.6234  -2.035873      6.949481  
1 1 1 -16 21  23 o 62.383  3.8131  2135.94    256.403  2781.53    383.054  1611.89    345.122  70.897  5.0209  53.582  6.0529  17.31485       7.864245  
1 1 1 -16 21  24 o 56.468  4.3438  1762.24    263.634  1934.21    435.506  1662.77    331.216  58.267  7.0438  54.447  5.7010  3.820141       9.061829  
1 1 1 -16 21  25 o 69.573  3.7993  2664.76    285.214  2748.57    451.280  2609.02    368.039  69.818  6.0268  68.434  5.0000  1.383720       7.830837  
1 1 1 -16 21  26 o 47.165  5.1899  1254.50    260.738  1649.17    465.496  1074.06    314.747  52.614  8.4549  42.901  7.0163  9.712761       10.98701  
1 1 1 -16 21  27 o 92.889  3.9443  4766.12    396.829  6107.34    771.225  4283.16    462.793  102.847 6.9645  87.466  4.9049  15.38036       8.518333  
1 1 1 -16 21  28 o 49.807  6.3832  1449.83    336.429  0.0000     0.0000   1449.83    336.429  ?       ?       49.807  6.3832  0.000000       6.383213  
1 1 1 -16 21  29 o 72.292  5.1525  3012.31    400.798  0.0000     0.0000   3012.31    400.798  ?       ?       72.292  5.1525  0.000000       5.152492  
1 1 1 -16 21  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 21  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 21  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 22  1  o 78.774  2.2543  3361.70    192.339  3353.80    234.713  3377.84    335.596  78.674  2.7544  78.934  3.9254  -0.2598801     4.795368  
1 1 1 -16 22  2  o 70.268  2.3783  2675.01    181.003  2868.91    237.605  2406.90    279.398  72.761  3.0150  66.518  3.8951  6.243568       4.925620  
1 1 1 -16 22  3  o 128.452 2.9900  8941.24    415.993  8833.94    477.942  9276.53    844.877  127.666 3.4565  130.716 5.9675  -3.049934      6.896280  
1 1 1 -16 22  4  o 375.684 6.9084  76694.86   2811.07  77527.81   3011.15  71044.59   7842.55  377.631 7.3620  356.393 20.402  21.23779       21.68932  
1 1 1 -16 22  5  o 250.715 4.5655  34092.30   1239.75  34524.02   1430.26  32787.85   2486.19  252.237 5.2352  245.279 9.3584  6.958237       10.72325  
1 1 1 -16 22  6  o 212.905 4.2440  24580.72   978.659  24450.98   1063.88  25294.61   2495.61  212.316 4.6263  215.204 10.707  -2.888443      11.66344  
1 1 1 -16 22  7  o 154.255 3.2907  12896.69   549.786  12932.86   633.653  12786.55   1105.80  154.451 3.7878  153.399 6.6555  1.051285       7.657924  
1 1 1 -16 22  8  o 119.035 3.0049  7678.91    387.416  7544.46    444.668  8102.50    789.287  117.974 3.4800  122.146 5.9660  -4.171814      6.906819  
1 1 1 -16 22  9  o 166.156 4.0129  14970.81   722.178  14255.36   883.038  16415.87   1254.97  162.076 5.0303  173.788 6.6672  -11.71216      8.351956  
1 1 1 -16 22  10 o 256.107 4.6440  35586.67   1288.21  34036.50   1486.73  40256.63   2580.46  250.376 5.4824  271.751 8.7671  -21.37471      10.34013  
1 1 1 -16 22  11 o 43.254  4.3702  1025.28    201.929  1072.82    242.179  916.844    365.767  44.156  5.1612  40.247  8.6483  3.908676       10.07133  
1 1 1 -16 22  12 o 159.684 3.4492  13825.54   596.548  13266.23   691.410  15454.63   1180.00  156.384 4.0820  168.579 6.4626  -12.19518      7.643854  
1 1 1 -16 22  13 o 192.774 4.0815  20161.63   852.194  20027.54   932.810  20838.35   2095.56  192.096 4.4834  194.861 9.9623  -2.765503      10.92465  
1 1 1 -16 22  14 o 193.062 3.8438  20221.67   803.768  20249.38   931.865  20141.14   1588.49  193.135 4.4547  192.169 7.6319  0.9655609      8.836865  
1 1 1 -16 22  15 o 45.736  4.3356  1145.92    212.205  1422.55    267.177  673.221    349.256  50.933  4.9038  34.456  9.1896  16.47738       10.41617  
1 1 1 -16 22  16 o 118.717 3.1536  7645.35    405.502  7755.84    476.074  7353.33    773.963  119.536 3.6771  115.991 6.1830  3.545647       7.193756  
1 1 1 -16 22  17 o 94.362  3.0473  4831.44    311.443  5377.47    371.874  3548.86    569.945  99.524  3.4498  80.320  6.6102  19.20397       7.456243  
1 1 1 -16 22  18 o 47.129  4.3282  1218.81    218.464  1281.40    286.109  1131.29    338.325  48.130  5.5927  44.860  7.2071  3.269478       9.122502  
1 1 1 -16 22  19 f 158.878 3.5442  13727.35   609.888  13279.38   882.467  14136.97   843.854  155.881 5.2268  160.940 4.8410  -5.058273      7.124208  
1 1 1 -16 22  20 f 58.574  3.8965  1877.77    245.790  1578.00    369.520  2115.64    329.168  53.129  6.5609  61.999  4.9429  -8.870285      8.214487  
1 1 1 -16 22  21 o 71.844  3.5387  2812.42    275.363  2618.75    408.885  2973.15    372.498  68.811  5.5330  73.552  4.7004  -4.740601      7.260017  
1 1 1 -16 22  22 o 128.333 3.2773  8974.32    455.535  8398.35    649.556  9531.76    639.021  123.696 4.8483  131.910 4.4727  -8.214088      6.596313  
1 1 1 -16 22  23 o 117.564 3.2771  7539.87    417.288  7255.73    601.642  7803.27    579.261  114.836 4.8372  119.221 4.4859  -4.385391      6.597073  
1 1 1 -16 22  24 o 99.374  3.4377  5398.69    370.008  5642.47    576.438  5227.87    482.535  100.815 5.2977  97.438  4.5723  3.376556       6.997915  
1 1 1 -16 22  25 o 14.628  3.2347  121.578    49.890   110.937    50.710   442.650    278.554  13.960  3.3880  27.514  8.4946  -13.55399      9.145322  
1 1 1 -16 22  26 o 26.329  7.8228  409.912    239.376  293.517    442.796  457.975    284.538  26.255  10.427  27.771  8.5873  -1.515989      13.50771  
1 1 1 -16 22  27 o 98.111  3.5644  5298.94    378.768  5559.18    605.510  5131.66    485.477  99.131  5.6630  95.994  4.6694  3.137764       7.339781  
1 1 1 -16 22  28 o 57.821  4.6412  1885.72    288.212  2114.44    506.210  1776.01    350.584  58.965  8.1435  55.416  5.9332  3.549519       10.07568  
1 1 1 -16 22  29 o 23.305  1.2529  296.041    31.510   311.737    49.256   285.168    40.995   23.814  1.9262  22.813  1.6707  1.000729       2.549775  
1 1 1 -16 22  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 22  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 22  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 23  1  o 203.937 3.9685  22548.71   876.593  22653.39   1010.03  22229.21   1764.59  204.373 4.5629  202.132 8.0601  2.240875       9.262022  
1 1 1 -16 23  2  o 43.913  3.0565  1050.04    144.467  1183.13    162.144  537.569    318.178  46.612  3.2317  31.085  8.9595  15.52677       9.524535  
1 1 1 -16 23  3  o 196.534 3.7939  20939.29   807.597  20316.17   930.309  22844.96   1626.92  193.551 4.4377  204.994 7.3275  -11.44342      8.566524  
1 1 1 -16 23  4  o 462.897 7.7935  116549.30  3907.41  116605.30  4510.72  116381.00  7820.93  462.670 9.0013  459.494 15.715  3.175842       18.11013  
1 1 1 -16 23  5  o 388.813 6.6551  82135.77   2802.65  81727.70   3235.02  83363.61   5611.53  387.632 7.7053  389.824 13.291  -2.192261      15.36259  
1 1 1 -16 23  6  o 137.994 3.1157  10320.01   465.674  10310.49   535.820  10349.41   941.401  137.914 3.5871  138.036 6.2967  -0.1211548     7.246764  
1 1 1 -16 23  7  o 183.380 3.6531  18230.15   725.580  17968.69   836.484  19024.74   1458.21  182.027 4.2428  187.056 7.1974  -5.028915      8.354889  
1 1 1 -16 23  8  o 390.019 6.6087  82666.31   2791.71  81618.93   3222.51  85816.93   5589.06  387.304 7.6820  395.389 13.051  -8.085144      15.14403  
1 1 1 -16 23  9  o 35.510  6.4418  706.351    238.632  723.524    323.822  685.942    353.020  35.734  8.4920  34.849  9.2128  0.8852119      12.52951  
1 1 1 -16 23  10 o 117.849 3.0530  7527.45    389.694  7238.83    449.534  8400.22    781.713  115.550 3.5919  124.362 5.8035  -8.811943      6.825130  
1 1 1 -16 23  11 o 16.623  6.3694  100.517    160.504  21.872     186.776  322.569    313.844  15.692  6.5632  25.870  9.0663  -10.17772      11.19261  
1 1 1 -16 23  12 o 152.508 3.4154  12610.81   564.167  12394.95   654.602  13234.17   1112.39  151.163 3.9982  155.979 6.5845  -4.815369      7.703286  
1 1 1 -16 23  13 o 167.314 3.5629  15181.44   645.671  14718.54   748.629  16525.73   1275.76  164.699 4.1967  174.247 6.7598  -9.548828      7.956557  
1 1 1 -16 23  14 o 317.336 5.5949  54749.95   1923.02  54773.30   2221.85  54680.21   3839.12  317.195 6.4672  315.263 11.243  1.932098       12.97050  
1 1 1 -16 23  15 o 208.812 4.0815  23669.96   923.084  22885.16   1069.50  25962.16   1827.78  205.225 4.8115  218.008 7.7407  -12.78371      9.114209  
1 1 1 -16 23  16 o 88.508  3.2215  4250.00    308.823  4064.04    370.303  4674.77    559.659  86.510  3.9520  92.488  5.6134  -5.977768      6.865049  
1 1 1 -16 23  17 o 147.043 3.3604  11738.11   535.188  11762.48   624.180  11670.44   1039.99  147.131 3.9168  146.113 6.5716  1.018112       7.650328  
1 1 1 -16 23  18 o 78.620  3.2980  3357.27    280.835  3212.38    342.554  3654.28    490.447  76.730  4.1372  81.615  5.5817  -4.884605      6.947783  
1 1 1 -16 23  19 o 19.119  6.8542  171.276    180.274  326.707    303.703  86.718     224.006  25.541  8.9205  18.293  7.3646  7.248549       11.56770  
1 1 1 -16 23  20 o 22.680  7.2477  279.558    201.078  186.974    305.015  350.723    267.415  22.516  8.7393  25.520  8.3746  -3.003824      12.10410  
1 1 1 -16 23  21 o 41.174  5.0442  943.033    220.245  1098.55    333.371  822.577    293.393  43.931  7.2598  37.846  7.4227  6.085087       10.38271  
1 1 1 -16 23  22 o 17.292  6.9001  88.991     194.769  84.749     285.675  92.676     266.240  19.959  8.2111  19.553  7.9717  0.4067402      11.44420  
1 1 1 -16 23  23 o 33.772  6.2582  653.054    220.489  460.105    332.597  804.335    294.503  28.598  9.3375  37.196  7.5676  -8.598171      12.01902  
1 1 1 -16 23  24 o 31.922  7.0435  594.850    237.000  457.889    402.540  667.515    293.206  29.071  10.261  33.575  8.1458  -4.504307      13.10149  
1 1 1 -16 23  25 o 41.857  5.8162  996.866    256.556  714.958    478.966  1110.29    303.817  34.306  11.205  43.933  6.5880  -9.626762      12.99863  
1 1 1 -16 23  26 o 59.018  4.4010  1938.43    279.300  2185.10    484.652  1815.78    341.758  61.219  7.4638  56.621  5.6482  4.597908       9.360062  
1 1 1 -16 23  27 o 66.846  4.1557  2483.73    299.387  2326.87    511.392  2565.52    369.285  62.800  7.6783  67.515  5.0874  -4.714684      9.210779  
1 1 1 -16 23  28 o 18.803  7.6196  121.415    241.487  470.201    454.754  -15.5676   284.990  28.419  10.761  17.634  7.7456  10.78488       13.25875  
1 1 1 -16 23  29 o 16.861  7.2978  29.142     245.172  -77.9786   465.625  70.233     288.388  20.583  9.3957  18.633  7.9882  1.950047       12.33251  
1 1 1 -16 23  30 o 22.086  9.8784  84.498     484.781  84.498     484.781  0.0000     0.0000   22.086  9.8784  ?       ?       0.000000       9.878407  
1 1 1 -16 23  31 f 26.088  12.133  267.604    829.678  267.604    829.678  0.0000     0.0000   26.088  12.133  ?       ?       0.000000       12.13292  
1 1 1 -16 23  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 24  1  o 209.476 4.1740  23793.38   947.016  23610.29   1114.41  24269.24   1796.60  208.617 4.9320  211.224 7.8530  -2.607101      9.273339  
1 1 1 -16 24  2  o 207.357 3.9842  23311.62   894.817  23204.44   1031.05  23638.70   1801.18  206.840 4.6023  208.448 7.9779  -1.608231      9.210238  
1 1 1 -16 24  3  o 203.078 3.9177  22358.78   861.714  22326.35   993.120  22457.60   1733.42  202.893 4.5192  203.184 7.8767  -0.2902679     9.081087  
1 1 1 -16 24  4  o 80.346  2.7225  3497.88    236.924  3596.50    269.943  3167.10    494.371  81.465  3.0594  76.134  6.0449  5.331093       6.775036  
1 1 1 -16 24  5  o 337.573 6.2956  61894.93   2301.84  62125.53   2469.57  60368.34   6354.22  338.128 6.7433  329.529 17.870  8.598755       19.10000  
1 1 1 -16 24  6  o 403.472 6.8408  88472.84   2989.47  87638.28   3450.62  90984.16   5985.80  401.319 7.9385  407.044 13.577  -5.725586      15.72769  
1 1 1 -16 24  7  o 151.038 3.2338  12364.32   529.014  12245.67   608.920  12729.50   1068.27  150.291 3.7407  153.067 6.4436  -2.775467      7.450734  
1 1 1 -16 24  8  o 158.549 3.3516  13625.80   575.560  13071.77   662.007  15341.35   1164.92  155.265 3.9366  168.032 6.4008  -12.76669      7.514421  
1 1 1 -16 24  9  o 243.956 6.3588  32339.68   1680.17  31804.30   2372.57  32878.28   2379.69  241.506 9.0703  245.572 8.9469  -4.066528      12.74036  
1 1 1 -16 24  10 o 42.422  4.1690  985.467    189.080  1018.39    219.712  891.468    371.242  43.056  4.7927  39.662  8.8649  3.394287       10.07753  
1 1 1 -16 24  11 o 232.387 4.3418  29298.59   1092.82  28573.25   1262.17  31470.61   2184.13  229.416 5.0795  240.255 8.3934  -10.83897      9.810708  
1 1 1 -16 24  12 o 154.354 3.4015  12918.14   568.661  12939.38   658.910  12856.17   1125.73  154.449 3.9389  153.709 6.7619  0.7399139      7.825440  
1 1 1 -16 24  13 o 54.897  3.6559  1641.75    216.136  1710.69    261.420  1492.84    384.223  55.976  4.3459  51.897  7.0154  4.079910       8.252416  
1 1 1 -16 24  14 o 283.251 5.1440  43597.92   1578.11  42326.98   1824.75  47369.32   3143.35  278.911 6.0404  293.905 9.8745  -14.99374      11.57551  
1 1 1 -16 24  15 o 59.751  3.6866  1944.71    237.419  1699.09    290.260  2441.26    412.697  55.705  4.8595  66.730  5.7667  -11.02499      7.541246  
1 1 1 -16 24  16 o 89.048  3.1026  4301.73    299.237  5116.66    361.138  2516.65    534.496  97.098  3.4339  67.436  7.4418  29.66241       8.195900  
1 1 1 -16 24  17 o 124.601 3.1186  8426.38    420.871  9064.16    494.340  6746.24    802.349  129.191 3.5329  110.850 6.7144  18.34036       7.587149  
1 1 1 -16 24  18 o 202.356 3.8813  22269.81   850.675  23200.95   988.184  19605.05   1671.71  206.414 4.4201  188.492 8.1884  17.92194       9.305209  
1 1 1 -16 24  19 o 44.897  4.2341  1108.12    203.466  1232.50    332.773  1033.87    257.128  46.872  6.7495  43.095  5.6444  3.776615       8.798549  
1 1 1 -16 24  20 o 106.291 3.2359  6146.04    372.533  5794.99    541.511  6461.47    513.303  102.920 4.8578  108.785 4.3565  -5.865082      6.525083  
1 1 1 -16 24  21 o 27.152  6.9884  424.351    206.729  178.193    314.010  612.661    274.645  22.486  8.8277  32.501  7.8829  -10.01458      11.83512  
1 1 1 -16 24  22 o 21.753  7.2067  253.392    197.856  121.335    289.422  369.256    271.098  20.724  8.3613  25.884  8.4290  -5.160404      11.87267  
1 1 1 -16 24  23 o 140.107 3.4309  10718.33   520.639  11246.35   760.142  10251.74   714.559  142.904 4.9111  136.474 4.8341  6.430099       6.891133  
1 1 1 -16 24  24 o 29.002  7.5204  494.312    238.214  384.392    421.872  545.765    288.631  27.912  10.407  30.372  8.4601  -2.460196      13.41214  
1 1 1 -16 24  25 o 61.276  4.3162  2080.61    284.628  2604.99    507.280  1839.67    343.855  67.399  7.0535  57.142  5.6289  10.25683       9.024212  
1 1 1 -16 24  26 o 50.001  5.0614  1407.44    270.332  1270.33    497.431  1464.91    322.040  44.908  10.427  50.650  5.9861  -5.741547      12.02303  
1 1 1 -16 24  27 o 32.408  1.5887  570.704    55.765   1088.24    460.864  563.014    56.177   41.218  10.341  32.146  1.6187  9.071892       10.46652  
1 1 1 -16 24  28 o 37.475  1.8999  767.280    76.862   775.256    79.459   651.189    303.141  37.660  1.9547  32.084  8.5635  5.575695       8.783770  
1 1 1 -16 24  29 o 20.101  8.4791  128.137    315.990  70.091     471.713  175.387    425.592  22.126  9.8304  22.658  9.7087  -0.5316792     13.81649  
1 1 1 -16 24  30 o 36.786  11.410  1056.75    501.902  1056.75    501.902  0.0000     0.0000   36.786  11.410  ?       ?       0.000000       11.40995  
1 1 1 -16 24  31 o 27.635  13.041  410.042    1019.33  410.042    1019.33  0.0000     0.0000   27.635  13.041  ?       ?       0.000000       13.04080  
1 1 1 -16 24  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 25  1  o 187.924 3.7168  19144.37   756.530  19023.75   871.013  19514.89   1526.56  187.299 4.2936  189.446 7.4397  -2.147339      8.589785  
1 1 1 -16 25  2  o 99.578  2.7731  5372.98    299.089  5384.70    340.815  5333.69    623.817  99.679  3.1568  98.947  5.8468  0.7322922      6.644589  
1 1 1 -16 25  3  o 119.289 2.9365  7711.14    379.400  7721.73    436.279  7678.29    768.472  119.359 3.3747  118.766 5.9934  0.5930710      6.878155  
1 1 1 -16 25  4  o 150.775 3.2461  12320.72   530.100  12359.27   609.819  12201.52   1072.36  150.992 3.7289  149.860 6.6067  1.131866       7.586390  
1 1 1 -16 25  5  o 69.442  2.7749  2612.97    208.707  2710.89    237.528  2281.30    437.139  70.726  3.1007  64.499  6.3394  6.227386       7.057078  
1 1 1 -16 25  6  o 106.353 2.8608  6129.28    329.541  6272.90    377.674  5671.08    674.578  107.582 3.2412  102.002 6.1345  5.580032       6.938122  
1 1 1 -16 25  7  o 299.580 5.3051  48711.74   1721.39  49797.52   1986.70  45441.38   3447.94  302.798 6.0577  288.281 11.043  14.51715       12.59509  
1 1 1 -16 25  8  o 282.238 4.9820  43226.97   1522.96  42346.40   1756.61  45892.39   3056.17  279.247 5.8079  289.982 9.7305  -10.73517      11.33199  
1 1 1 -16 25  9  o 66.892  4.4318  2437.83    319.267  2166.88    438.492  2743.54    465.766  62.804  6.5422  70.800  6.1345  -7.995247      8.968403  
1 1 1 -16 25  10 o 155.867 3.3888  13170.50   572.099  12832.23   659.676  14196.81   1149.06  153.824 3.9595  161.596 6.5651  -7.772018      7.666675  
1 1 1 -16 25  11 o 141.436 3.2431  10844.43   496.817  11041.56   574.121  10256.70   991.323  142.693 3.7148  137.323 6.6650  5.369843       7.630323  
1 1 1 -16 25  12 o 97.109  3.0506  5111.98    320.859  5130.99    372.695  5057.55    630.681  97.273  3.5375  96.260  6.0804  1.012810       7.034521  
1 1 1 -16 25  13 o 59.495  3.5152  1926.36    225.516  1878.21    271.688  2033.01    404.381  58.672  4.3054  60.821  6.2264  -2.148842      7.569937  
1 1 1 -16 25  14 o 132.888 3.2262  9576.55    464.355  9624.58    542.930  9445.68    896.140  133.188 3.7637  131.724 6.2812  1.463837       7.322461  
1 1 1 -16 25  15 o 135.344 3.2996  9936.79    483.695  9835.33    565.976  10211.65   931.524  134.607 3.8820  136.900 6.2823  -2.293350      7.384955  
1 1 1 -16 25  16 o 242.391 4.5283  31940.32   1188.84  32186.84   1376.24  31215.48   2359.87  243.170 5.2253  238.224 9.1460  4.946274       10.53345  
1 1 1 -16 25  17 o 156.971 3.5169  13382.53   597.922  12947.18   695.468  14616.17   1170.72  154.307 4.1612  163.446 6.6131  -9.139206      7.813411  
1 1 1 -16 25  18 o 71.320  3.3802  2763.87    261.108  2492.33    319.326  3311.73    453.576  67.508  4.3911  77.681  5.4250  -10.17242      6.979475  
1 1 1 -16 25  19 o 87.598  3.6230  4175.71    343.743  4518.25    450.415  3697.93    531.945  90.875  4.5910  81.871  6.0415  9.004105       7.587986  
1 1 1 -16 25  20 f 28.365  6.8253  462.092    207.146  973.713    311.363  55.833     277.457  41.369  7.2112  19.300  8.0295  22.06888       10.79235  
1 1 1 -16 25  21 o 62.811  3.7644  2159.66    254.912  1913.36    380.901  2359.46    343.062  58.586  6.0918  65.433  4.8757  -6.846992      7.802715  
1 1 1 -16 25  22 o 82.079  3.2891  3672.76    292.405  3135.37    419.151  4182.22    408.115  75.302  5.1705  87.379  4.3123  -12.07676      6.732760  
1 1 1 -16 25  23 o 86.186  3.5041  4057.87    327.106  4385.06    510.562  3830.06    426.024  88.940  5.3245  83.304  4.7413  5.636482       7.129586  
1 1 1 -16 25  24 o 61.368  4.1883  2078.92    276.721  2484.36    466.754  1859.18    343.623  66.231  6.5943  57.590  5.5788  8.641129       8.637589  
1 1 1 -16 25  25 o 34.922  1.5951  662.138    60.332   679.106    61.724   298.658    285.688  35.366  1.6114  24.010  8.6264  11.35522       8.775579  
1 1 1 -16 25  26 o 20.921  7.8213  207.051    238.577  720.754    472.585  31.352     276.381  33.985  11.132  18.402  7.8527  15.58361       13.62301  
1 1 1 -16 25  27 o 57.026  4.6515  1824.41    284.795  1992.96    521.597  1752.82    339.939  57.326  8.6716  55.388  5.7503  1.937813       10.40498  
1 1 1 -16 25  28 o 25.497  1.6962  355.448    46.575   784.906    491.874  351.563    46.785   33.898  11.366  25.354  1.7137  8.543308       11.49485  
1 1 1 -16 25  29 o 19.606  8.3623  102.922    313.114  -210.1458  465.850  360.902    422.883  19.290  9.0116  25.212  10.130  -5.921789      13.55811  
1 1 1 -16 25  30 o 20.233  1.6568  224.905    35.990   224.905    35.990   0.0000     0.0000   20.233  1.6568  ?       ?       0.000000       1.656801  
1 1 1 -16 25  31 o 26.511  12.293  356.852    842.127  356.852    842.127  0.0000     0.0000   26.511  12.293  ?       ?       0.000000       12.29335  
1 1 1 -16 25  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 26  1  o 242.977 4.4039  32017.93   1158.96  31931.63   1336.14  32280.13   2328.98  242.591 5.0852  243.441 8.8329  -0.8504181     10.19210  
1 1 1 -16 26  2  o 206.741 3.9297  23173.41   879.945  22474.43   1013.36  25316.11   1774.23  203.556 4.5963  215.751 7.5925  -12.19470      8.875401  
1 1 1 -16 26  3  o 46.772  2.8760  1189.91    144.988  1153.26    161.551  1341.68    328.720  46.013  3.2627  49.304  6.2996  -3.291019      7.094405  
1 1 1 -16 26  4  o 161.951 3.5323  14217.28   619.610  14267.41   683.507  13986.11   1467.67  162.221 3.8902  160.049 8.4969  2.171234       9.345130  
1 1 1 -16 26  5  o 477.763 8.1271  124236.20  4205.52  127582.50  4855.12  114180.70  8416.19  483.791 9.2656  454.129 17.111  29.66229       19.45830  
1 1 1 -16 26  6  f 339.569 5.8295  62610.78   2144.04  60463.69   2474.08  69086.35   4296.64  333.528 6.8488  355.444 11.161  -21.91617      13.09444  
1 1 1 -16 26  7  o 235.143 4.2847  29987.65   1091.24  29283.06   1258.30  32125.26   2191.70  232.302 5.0010  242.882 8.3313  -10.58064      9.717067  
1 1 1 -16 26  8  o 154.811 3.3307  12991.03   558.479  13186.90   642.531  12385.85   1129.41  155.952 3.8039  150.933 6.9087  5.018585       7.886717  
1 1 1 -16 26  9  o 144.609 3.7771  11338.94   591.592  10432.82   722.064  13189.18   1031.81  138.658 4.8080  155.806 6.1143  -17.14806      7.778209  
1 1 1 -16 26  10 o 105.872 3.0172  6075.25    345.980  6298.02    398.449  5392.56    697.525  107.783 3.4131  99.382  6.5162  8.400490       7.355957  
1 1 1 -16 26  11 o 179.763 3.6529  17523.48   711.225  16725.79   821.044  19921.42   1423.54  175.577 4.3175  191.345 6.8688  -15.76781      8.112993  
1 1 1 -16 26  12 o 102.743 2.9850  5722.15    332.177  5689.64    403.059  5790.98    586.483  102.427 3.6332  103.121 5.2685  -0.6940308     6.399793  
1 1 1 -16 26  13 o 38.393  4.8824  813.344    198.438  674.243    239.108  1121.15    355.688  34.624  6.6172  44.735  7.6136  -10.11117      10.08736  
1 1 1 -16 26  14 o 232.073 4.6273  29252.00   1163.11  29343.76   1262.73  28738.27   2987.77  232.378 5.0170  227.777 12.155  4.601257       13.14929  
1 1 1 -16 26  15 o 252.796 4.6338  34727.61   1268.74  35244.30   1467.78  33200.63   2523.26  254.529 5.3242  245.834 9.4766  8.695419       10.86979  
1 1 1 -16 26  16 o 142.681 3.3410  11048.96   516.318  11358.88   604.062  10208.53   994.735  144.616 3.8565  136.694 6.7187  7.921555       7.746860  
1 1 1 -16 26  17 o 39.663  4.6199  867.798    194.746  974.264    243.986  680.888    323.278  41.908  5.5087  34.480  8.6663  7.427494       10.26893  
1 1 1 -16 26  18 o 183.142 3.7493  18242.28   743.719  18567.00   864.456  17317.25   1459.03  184.635 4.3227  177.264 7.5993  7.371445       8.742752  
1 1 1 -16 26  19 o 35.651  5.4313  711.360    203.097  608.379    275.661  833.632    300.373  32.500  7.9066  38.194  7.5286  -5.693691      10.91760  
1 1 1 -16 26  20 o 121.830 3.2851  8077.36    433.483  7501.47    624.757  8611.97    601.953  117.050 4.9280  125.547 4.4267  -8.497322      6.624290  
1 1 1 -16 26  21 o 93.574  3.2009  4767.48    324.411  4788.44    465.084  4747.60    452.738  93.515  4.5917  93.139  4.4879  0.3768082      6.420730  
1 1 1 -16 26  22 o 61.748  2.4759  2072.84    165.588  1761.03    347.939  2164.14    188.277  56.151  5.8049  63.064  2.7564  -6.913605      6.426061  
1 1 1 -16 26  23 o 30.700  7.1377  549.216    232.842  266.453    400.796  693.266    286.069  25.652  10.001  34.379  7.8544  -8.727432      12.71644  
1 1 1 -16 26  24 o ?       ?       -148.2277  34.367   -149.9114  34.655   -48.1980   267.121  ?       ?       17.037  7.4908  0.000000       7.490809  
1 1 1 -16 26  25 o 43.915  5.4768  1091.27    254.843  1423.89    447.457  931.579    310.040  48.803  8.7884  39.807  7.4653  8.996166       11.53106  
1 1 1 -16 26  26 o 40.821  5.9441  957.431    255.094  478.133    458.127  1172.82    307.108  29.410  10.869  45.027  6.4841  -15.61760      12.65624  
1 1 1 -16 26  27 o 50.668  2.2110  1399.90    121.335  1456.44    131.189  1065.37    319.111  51.659  2.3447  42.359  7.2140  9.299820       7.585422  
1 1 1 -16 26  28 o 35.923  6.7258  777.253    252.074  1221.77    448.496  571.990    304.767  43.091  9.8272  29.892  8.8130  13.19918       13.20016  
1 1 1 -16 26  29 o 20.859  8.4192  199.999    293.573  432.589    404.697  -58.3410   426.512  26.213  10.097  19.881  9.0431  6.331781       13.55431  
1 1 1 -16 26  30 o 25.467  10.117  410.737    416.986  410.737    416.986  0.0000     0.0000   25.467  10.117  ?       ?       0.000000       10.11691  
1 1 1 -16 26  31 o 20.441  10.110  -836.8062  825.616  -836.8062  825.616  0.0000     0.0000   20.441  10.110  ?       ?       0.000000       10.10970  
1 1 1 -16 26  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 27  1  o 223.811 4.2379  27163.65   1027.32  27690.87   1184.02  25557.84   2066.38  225.926 4.8386  216.611 8.8077  9.315247       10.04923  
1 1 1 -16 27  2  o 316.526 5.5722  54383.76   1910.32  54032.63   2203.92  55444.55   3830.68  315.378 6.4520  318.501 11.104  -3.123108      12.84274  
1 1 1 -16 27  3  f 266.401 4.8025  38500.35   1385.70  38048.82   1598.19  39867.79   2781.24  264.754 5.5733  270.409 9.4961  -5.654999      11.01082  
1 1 1 -16 27  4  o 235.383 4.4086  30049.23   1123.94  30689.22   1296.09  28108.68   2256.89  237.824 5.0316  227.098 9.1754  10.72559       10.46453  
1 1 1 -16 27  5  o 187.344 3.7048  19027.55   751.747  19171.10   866.056  18588.91   1513.96  188.018 4.2528  184.862 7.5613  3.156311       8.675243  
1 1 1 -16 27  6  o 229.775 4.2251  28632.50   1051.49  27393.93   1212.19  32397.00   2113.32  224.688 4.9811  243.969 7.9976  -19.28075      9.421925  
1 1 1 -16 27  7  o 42.846  3.4645  1001.65    159.402  1071.20    180.053  749.565    342.798  44.287  3.7901  36.368  8.7982  7.919067       9.579850  
1 1 1 -16 27  8  o 269.095 4.8119  39291.16   1402.48  38446.38   1618.35  41839.22   2810.65  266.093 5.6153  276.935 9.3704  -10.84177      10.92407  
1 1 1 -16 27  9  o 345.097 7.5890  64823.37   2836.60  65558.59   3141.78  61580.87   6597.88  346.860 8.3628  331.790 18.433  15.06982       20.24094  
1 1 1 -16 27  10 f 129.206 3.1680  9049.36    443.344  8534.56    511.648  10600.62   888.160  125.452 3.7655  139.681 5.8706  -14.22885      6.974447  
1 1 1 -16 27  11 o 271.826 4.9077  40113.90   1444.92  40027.08   1668.52  40374.27   2889.46  271.418 5.6757  271.701 9.8187  -0.2828064     11.34113  
1 1 1 -16 27  12 o 188.202 3.8813  19213.41   791.178  19659.07   869.122  17057.74   1911.49  190.344 4.2157  176.227 10.056  14.11736       10.90408  
1 1 1 -16 27  13 o 164.952 3.5640  14758.40   636.755  14737.31   739.542  14818.85   1252.02  164.789 4.1435  164.919 7.0092  -0.1303101     8.142318  
1 1 1 -16 27  14 o 136.174 3.3784  10058.36   498.277  10004.77   567.230  10239.44   1042.73  135.778 3.8571  136.847 7.0591  -1.068939      8.044150  
1 1 1 -16 27  15 o 94.596  3.1268  4853.97    320.368  5123.77    380.897  4201.60    592.288  97.163  3.6194  87.572  6.2863  9.590767       7.253831  
1 1 1 -16 27  16 o 119.500 3.1878  7749.59    412.602  7820.81    483.937  7560.00    789.555  120.002 3.7233  117.525 6.2249  2.477104       7.253433  
1 1 1 -16 27  17 f 149.820 3.3883  12191.08   549.823  12183.23   639.637  12213.30   1075.99  149.695 3.9451  149.339 6.6522  0.3551636      7.734041  
1 1 1 -16 27  18 o 26.392  6.4106  397.221    181.428  412.741    235.901  374.748    283.862  27.011  7.6925  26.428  8.6261  0.5834846      11.55791  
1 1 1 -16 27  19 o 86.063  3.4198  4029.63    318.781  3897.64    375.919  4367.56    601.486  84.557  4.1046  88.906  6.2868  -4.349060      7.508154  
1 1 1 -16 27  20 o 52.600  2.3995  1502.38    136.704  1469.38    151.393  1648.13    318.146  51.931  2.7009  54.529  5.4602  -2.597195      6.091681  
1 1 1 -16 27  21 o 40.329  4.9172  904.937    210.341  890.511    301.226  918.665    293.846  39.400  7.3284  40.117  7.0184  -0.7165146     10.14713  
1 1 1 -16 27  22 o 106.414 3.1835  6172.45    366.925  5930.73    524.461  6404.20    513.533  103.925 4.6593  108.079 4.3869  -4.153191      6.399531  
1 1 1 -16 27  23 o 63.012  2.3904  2159.29    163.137  2225.25    186.484  1944.20    336.733  63.931  2.6932  59.079  5.3194  4.852032       5.962351  
1 1 1 -16 27  24 f 26.434  7.8190  406.674    239.546  152.299    451.408  506.387    282.623  24.681  10.253  29.284  8.4452  -4.602903      13.28311  
1 1 1 -16 27  25 o 44.537  5.4442  1121.87    257.148  1230.31    453.211  1070.38    312.282  44.865  9.6157  42.931  6.9538  1.933861       11.86664  
1 1 1 -16 27  26 o 68.173  2.6091  2537.64    192.655  2778.81    228.464  1944.03    358.427  71.256  2.9602  58.518  5.7286  12.73779       6.448256  
1 1 1 -16 27  27 o 37.779  6.3756  836.683    251.596  568.379    437.418  969.333    307.565  30.477  10.702  40.277  7.3199  -9.800243      12.96602  
1 1 1 -16 27  28 o 39.469  6.0408  919.668    250.021  984.861    417.564  883.233    312.164  38.375  9.9597  37.611  7.9136  0.7637901      12.72089  
1 1 1 -16 27  29 o 59.962  2.8689  1988.52    186.322  2014.40    199.670  1814.13    518.290  60.187  3.0732  51.690  9.6113  8.496361       10.09065  
1 1 1 -16 27  30 o 24.239  9.9661  333.052    420.557  333.052    420.557  0.0000     0.0000   24.239  9.9661  ?       ?       0.000000       9.966087  
1 1 1 -16 27  31 o 22.262  11.050  -853.3113  1020.23  -853.3113  1020.23  0.0000     0.0000   22.262  11.050  ?       ?       0.000000       11.05034  
1 1 1 -16 27  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 28  1  o 133.776 3.1739  9699.02    459.869  10088.15   527.341  8463.57    939.634  136.419 3.5690  124.587 6.9915  11.83172       7.849805  
1 1 1 -16 28  2  o 89.208  2.5150  4311.82    243.007  4172.56    271.002  4883.32    548.991  87.750  2.8514  94.704  5.3743  -6.953659      6.083863  
1 1 1 -16 28  3  o 157.722 3.4051  13483.65   581.698  13835.59   668.948  12392.30   1177.98  159.746 3.8663  150.972 7.2040  8.774353       8.175904  
1 1 1 -16 28  4  o 135.979 3.0750  10020.83   452.882  10163.15   520.045  9574.11    921.337  136.926 3.5066  132.752 6.4078  4.174759       7.304507  
1 1 1 -16 28  5  o 341.288 5.9404  63253.39   2195.89  64614.78   2534.32  59152.80   4398.39  344.795 6.7863  328.530 12.361  16.26492       14.10120  
1 1 1 -16 28  6  f 298.928 5.6711  48516.83   1836.14  47492.30   1974.46  55069.55   4993.43  295.686 6.1652  316.200 14.580  -20.51480      15.83020  
1 1 1 -16 28  7  o 151.800 3.2288  12489.82   530.862  12109.23   611.079  13660.69   1071.83  149.446 3.7752  158.570 6.2407  -9.124390      7.293749  
1 1 1 -16 28  8  o 302.566 5.3222  49697.39   1744.16  50459.39   2013.00  47402.47   3493.41  304.761 6.0984  294.344 10.958  10.41696       12.54050  
1 1 1 -16 28  9  o 296.805 6.7712  47905.02   2176.75  47092.70   2420.49  51339.88   4977.30  294.121 7.5981  304.781 15.078  -10.65979      16.88402  
1 1 1 -16 28  10 o 269.845 5.5921  39553.22   1634.41  37635.85   1999.83  43409.92   2836.27  262.995 7.0206  281.948 9.2877  -18.95331      11.64262  
1 1 1 -16 28  11 o 154.289 3.4125  12907.29   570.258  12630.80   659.327  13728.29   1136.13  152.593 3.9893  158.856 6.6032  -6.262665      7.714718  
1 1 1 -16 28  12 o 228.827 4.5955  28423.95   1138.96  28333.93   1236.69  28926.88   2923.18  228.415 4.9988  229.036 11.824  -0.6201019     12.83731  
1 1 1 -16 28  13 o 86.050  3.1484  4015.01    293.432  4046.67    343.173  3928.94    565.885  86.369  3.6685  84.744  6.2085  1.624886       7.211298  
1 1 1 -16 28  14 o 67.154  3.2848  2446.04    238.917  2635.38    285.204  2000.55    437.481  69.583  3.7987  60.195  6.8310  9.387440       7.816176  
1 1 1 -16 28  15 o 131.319 3.2907  9356.56    468.045  9447.72    537.296  9069.74    953.087  131.919 3.7604  128.707 6.8617  3.212158       7.824513  
1 1 1 -16 28  16 o 143.884 3.4059  11239.49   530.780  11470.57   603.100  10445.58   1117.87  145.307 3.8320  137.850 7.5155  7.457535       8.436069  
1 1 1 -16 28  17 o 38.507  4.8285  820.351    196.954  836.273    249.055  793.772    321.786  38.640  6.1577  37.252  8.1976  1.387115       10.25271  
1 1 1 -16 28  18 o 59.175  3.7550  1912.70    239.419  1838.28    303.943  2034.39    388.639  57.831  4.8984  60.647  5.9950  -2.815845      7.741765  
1 1 1 -16 28  19 o 69.829  3.6824  2662.36    277.520  2902.49    328.019  2057.55    520.574  72.836  4.1754  60.327  8.1779  12.50925       9.182161  
1 1 1 -16 28  20 o 64.690  3.6471  2287.68    254.493  2320.76    370.263  2258.05    350.375  64.820  5.3208  63.984  5.0982  0.8363419      7.369018  
1 1 1 -16 28  21 o 89.962  2.9326  4403.69    285.747  4283.85    376.860  4565.75    438.272  88.564  3.9288  91.326  4.4307  -2.762772      5.921705  
1 1 1 -16 28  22 o 88.544  3.2977  4275.86    316.252  3999.22    462.810  4518.19    433.158  85.089  5.0443  90.767  4.4060  -5.678185      6.697594  
1 1 1 -16 28  23 o 30.406  6.9416  538.133    223.573  765.664    362.106  397.960    284.215  35.802  9.2664  26.608  8.6287  9.193666       12.66174  
1 1 1 -16 28  24 o 24.293  7.9023  331.109    238.298  561.558    448.989  240.738    281.167  31.369  10.852  22.727  8.4919  8.641685       13.78001  
1 1 1 -16 28  25 o 71.509  2.3732  2785.67    183.808  3194.55    271.312  2438.80    249.895  76.372  3.2799  66.596  3.4765  9.775597       4.779565  
1 1 1 -16 28  26 o 112.338 3.2552  6922.63    396.069  8424.46    634.845  5965.56    506.793  123.032 4.7641  103.675 4.5132  19.35701       6.562462  
1 1 1 -16 28  27 f 41.445  2.5099  942.291    112.137  907.812    419.120  944.950    116.380  37.499  10.095  41.484  2.6034  -3.985153      10.42565  
1 1 1 -16 28  28 o 17.001  7.2097  51.942     230.412  138.034    391.460  6.3056     285.013  22.030  9.3721  17.776  7.7784  4.254650       12.17950  
1 1 1 -16 28  29 o 29.712  8.9560  598.242    312.091  662.941    436.056  530.294    446.869  30.340  10.683  27.961  10.648  2.378632       15.08356  
1 1 1 -16 28  30 o 41.214  10.545  1263.02    472.667  1263.02    472.667  0.0000     0.0000   41.214  10.545  ?       ?       0.000000       10.54532  
1 1 1 -16 28  31 o 31.542  13.687  1049.15    866.951  1049.15    866.951  0.0000     0.0000   31.542  13.687  ?       ?       0.000000       13.68742  
1 1 1 -16 28  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 29  1  o 208.878 4.0293  23657.58   911.582  23297.05   1049.84  24762.34   1837.75  207.235 4.6773  213.311 7.9543  -6.076508      9.227560  
1 1 1 -16 29  2  o 61.451  2.2452  2045.83    149.437  2088.75    202.998  1995.06    220.792  62.083  3.0189  60.575  3.3787  1.507793       4.530981  
1 1 1 -16 29  3  o 326.526 6.1281  57908.12   2167.26  58159.51   2568.11  57286.08   4039.76  327.044 7.2500  323.576 11.527  3.468231       13.61728  
1 1 1 -16 29  4  o 220.096 4.1862  26270.13   997.934  26398.69   1150.15  25878.56   2007.26  220.585 4.8140  217.983 8.5018  2.602585       9.770133  
1 1 1 -16 29  5  o 115.037 2.9193  7171.46    363.736  7392.63    416.859  6465.80    744.599  116.786 3.2955  108.910 6.3397  7.876038       7.145065  
1 1 1 -16 29  6  o 438.320 8.0721  104596.70  3832.18  104779.50  4097.44  103320.70  10826.55 438.539 8.6265  426.738 23.515  11.80045       25.04703  
1 1 1 -16 29  7  o 204.077 4.1673  22587.05   921.119  22302.47   1003.45  24110.87   2321.99  202.758 4.5693  210.089 10.204  -7.331223      11.18071  
1 1 1 -16 29  8  o 348.098 5.9720  65825.88   2251.59  64919.56   2598.53  68556.44   4510.41  345.504 6.9439  353.658 11.775  -8.154419      13.67001  
1 1 1 -16 29  9  o 214.173 5.1223  24901.55   1188.23  24921.67   1342.15  24828.62   2555.49  214.188 5.7854  212.619 11.136  1.569260       12.54882  
1 1 1 -16 29  10 o 86.936  3.5075  4098.04    330.272  4046.64    401.631  4205.39    580.429  86.363  4.2937  87.744  6.1463  -1.380844      7.497490  
1 1 1 -16 29  11 o 114.220 3.0729  7072.27    380.153  6810.56    438.675  7861.52    761.809  112.065 3.6141  120.268 5.8483  -8.202133      6.874890  
1 1 1 -16 29  12 o 237.480 4.7397  30621.70   1219.13  30552.86   1321.12  31016.61   3164.23  237.158 5.1432  236.912 12.374  0.2464294      13.40059  
1 1 1 -16 29  13 o 175.077 3.6285  16628.44   688.070  16589.39   796.361  16743.43   1366.68  174.820 4.2058  175.238 7.2006  -0.4178467     8.338922  
1 1 1 -16 29  14 o 100.172 3.0821  5442.05    334.403  5809.33    390.650  4434.96    646.883  103.477 3.4856  89.946  6.6879  13.53046       7.541718  
1 1 1 -16 29  15 o 69.923  2.7019  2651.30    204.623  2552.15    306.895  2730.66    274.560  68.416  4.1613  70.836  3.5903  -2.419716      5.496109  
1 1 1 -16 29  16 o 87.171  3.1612  4124.34    298.461  4248.33    355.906  3830.53    547.881  88.433  3.7158  83.537  6.0974  4.896347       7.140439  
1 1 1 -16 29  17 o 101.839 3.0837  5631.28    340.142  5412.95    399.542  6206.19    648.343  99.788  3.6967  106.438 5.6441  -6.650131      6.746923  
1 1 1 -16 29  18 o 66.620  3.6215  2421.41    260.337  2426.72    329.122  2412.52    425.519  66.545  4.5945  66.074  6.0117  0.4711838      7.566336  
1 1 1 -16 29  19 o 129.671 3.3554  9148.50    471.254  8918.99    549.496  9786.69    916.308  127.917 3.9661  133.323 6.3455  -5.406303      7.483025  
1 1 1 -16 29  20 o 109.545 3.6633  6540.78    434.648  5946.68    531.222  7744.02    756.006  104.234 4.7054  118.594 5.8856  -14.36011      7.535335  
1 1 1 -16 29  21 o 74.331  3.3721  3011.34    271.476  2439.44    386.374  3568.97    381.522  66.356  5.4234  80.627  4.3853  -14.27173      6.974571  
1 1 1 -16 29  22 o 96.733  3.2703  5103.25    342.629  4020.35    499.633  6064.59    470.757  85.167  5.4449  105.231 4.1303  -20.06448      6.834208  
1 1 1 -16 29  23 o 20.434  2.5777  230.826    55.780   220.863    56.899   476.652    282.639  19.960  2.7013  28.601  8.5009  -8.640663      8.919769  
1 1 1 -16 29  24 o 65.944  4.0588  2399.31    288.488  2708.53    483.668  2228.56    359.421  69.100  6.5403  63.130  5.3057  5.970234       8.421717  
1 1 1 -16 29  25 o 44.786  5.4320  1135.44    258.101  1297.30    453.499  1057.90    313.897  46.132  9.3954  42.594  7.0507  3.537632       11.74670  
1 1 1 -16 29  26 o 45.232  5.3502  1160.95    257.033  1296.51    432.956  1087.17    319.410  46.087  8.9965  43.029  7.1014  3.057949       11.46152  
1 1 1 -16 29  27 o 16.126  7.0032  -4.2372    227.309  -199.7314  399.261  89.517     276.494  18.649  8.5823  19.190  8.0024  -0.5415115     11.73431  
1 1 1 -16 29  28 o 26.760  7.8740  451.219    243.492  768.677    423.525  294.484    297.590  33.375  10.503  23.132  8.7181  10.24254       13.64950  
1 1 1 -16 29  29 o 32.895  10.543  787.673    425.230  787.673    425.230  0.0000     0.0000   32.895  10.543  ?       ?       0.000000       10.54262  
1 1 1 -16 29  30 o 36.692  10.592  1017.22    444.406  1017.22    444.406  0.0000     0.0000   36.692  10.592  ?       ?       0.000000       10.59241  
1 1 1 -16 29  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 29  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 30  1  o 155.246 3.3463  13063.66   562.670  13031.31   646.054  13165.31   1145.04  155.032 3.8475  155.636 6.7927  -0.6037292     7.806619  
1 1 1 -16 30  2  o 34.196  3.2770  639.629    119.887  605.767    129.543  841.691    316.448  33.227  3.6603  38.641  7.8293  -5.414406      8.642640  
1 1 1 -16 30  3  o 367.263 6.3111  73274.81   2510.47  73378.41   2897.11  72962.53   5029.98  367.332 7.2817  364.732 12.733  2.600128       14.66787  
1 1 1 -16 30  4  o 278.533 5.2251  42105.20   1576.30  40651.19   1863.84  45757.48   2953.98  273.548 6.2908  289.658 9.4157  -16.10928      11.32383  
1 1 1 -16 30  5  o 235.250 4.3935  30017.54   1119.46  30432.36   1290.92  28759.76   2247.89  236.812 5.0330  229.691 9.0357  7.120667       10.34284  
1 1 1 -16 30  6  o 62.566  2.8682  2121.37    194.364  2165.63    220.569  1967.59    411.132  63.127  3.2368  59.831  6.4461  3.296108       7.213113  
1 1 1 -16 30  7  o 309.979 5.8561  52188.89   1966.13  51867.73   2112.80  54264.08   5370.61  308.950 6.3139  312.797 15.905  -3.847168      17.11206  
1 1 1 -16 30  8  o 127.510 3.0664  8812.36    423.490  9080.61    486.700  7976.15    859.300  129.421 3.4721  120.948 6.5844  8.472366       7.443730  
1 1 1 -16 30  9  o 372.351 8.3525  75581.26   3368.54  73969.24   3723.57  82845.82   7904.60  368.055 9.3406  384.602 18.976  -16.54688      21.15006  
1 1 1 -16 30  10 o 266.930 5.5079  38705.69   1592.42  36511.90   1947.18  43135.85   2767.05  259.020 6.9407  281.046 9.0901  -22.02606      11.43694  
1 1 1 -16 30  11 o 62.811  3.3649  2145.26    228.083  2327.18    263.523  1602.07    455.358  65.398  3.7359  53.614  8.0936  11.78410       8.914239  
1 1 1 -16 30  12 o 154.174 3.6432  12893.21   608.363  12451.61   679.030  14689.72   1369.59  151.476 4.1388  164.109 7.7052  -12.63347      8.746459  
1 1 1 -16 30  13 o 142.499 3.3087  11013.16   510.669  10865.41   591.630  11444.90   1011.35  141.502 3.8603  144.965 6.4412  -3.462845      7.509397  
1 1 1 -16 30  14 o 369.465 6.3883  74403.28   2556.41  76266.55   2952.85  68827.95   5107.85  373.697 7.2954  351.513 13.416  22.18311       15.27138  
1 1 1 -16 30  15 o 126.237 3.1699  8646.64    433.414  9034.49    507.096  7595.31    834.890  128.999 3.6294  117.764 6.5718  11.23526       7.507383  
1 1 1 -16 30  16 f 112.309 3.0766  6845.99    374.249  7157.02    437.492  5997.42    722.631  114.793 3.5187  104.540 6.4131  10.25284       7.314988  
1 1 1 -16 30  17 o 29.199  5.9156  482.906    180.677  564.528    227.406  343.181    297.533  31.478  6.8636  25.878  8.8394  5.599516       11.19123  
1 1 1 -16 30  18 o 156.724 3.4626  13359.06   587.780  13613.53   688.305  12673.72   1129.58  158.092 4.0198  151.699 6.8749  6.393509       7.963842  
1 1 1 -16 30  19 o 40.812  5.5407  929.853    238.587  812.902    284.045  1210.07    439.675  37.733  7.2132  45.702  9.2007  -7.969391      11.69115  
1 1 1 -16 30  20 o 58.939  2.6433  1887.73    168.743  1886.20    179.838  1898.95    487.977  58.902  2.8189  57.816  8.0075  1.085484       8.489235  
1 1 1 -16 30  21 o 57.523  3.8189  1814.86    236.577  1760.63    337.998  1866.95    331.246  56.238  5.6244  58.004  5.3323  -1.765842      7.750263  
1 1 1 -16 30  22 o 21.893  7.2773  257.485    201.689  101.654    297.386  390.211    274.455  20.526  8.4031  26.394  8.4709  -5.868708      11.93184  
1 1 1 -16 30  23 o 26.163  7.4645  397.390    221.915  248.300    362.183  487.005    280.798  24.534  9.5230  28.850  8.4462  -4.316587      12.72892  
1 1 1 -16 30  24 o 21.553  7.6986  235.244    227.231  368.315    396.130  169.984    277.409  27.108  10.089  21.123  8.2959  5.984575       13.06196  
1 1 1 -16 30  25 o 35.133  6.4675  718.355    237.038  699.024    388.828  729.789    299.030  33.670  9.9623  34.849  8.0796  -1.179020      12.82682  
1 1 1 -16 30  26 o 119.807 3.3414  7881.65    433.596  8522.35    637.576  7330.36    591.417  123.711 4.7583  114.733 4.7592  8.977791       6.729928  
1 1 1 -16 30  27 o 40.596  5.8283  955.997    248.920  1054.50    415.340  900.788    310.950  40.598  9.5970  38.469  7.7312  2.129517       12.32371  
1 1 1 -16 30  28 o 20.641  7.7500  224.188    234.734  279.310    400.912  195.434    289.555  24.087  9.7968  20.962  8.3964  3.124220       12.90260  
1 1 1 -16 30  29 o 37.872  10.318  1031.88    434.750  1031.88    434.750  0.0000     0.0000   37.872  10.318  ?       ?       0.000000       10.31816  
1 1 1 -16 30  30 o 50.517  8.8312  1725.62    465.603  1725.62    465.603  0.0000     0.0000   50.517  8.8312  ?       ?       0.000000       8.831168  
1 1 1 -16 30  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 30  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 31  1  o 273.062 4.9892  40459.86   1475.59  42092.81   1701.91  35515.71   2961.39  278.441 5.6433  254.921 10.726  23.51945       12.11957  
1 1 1 -16 31  2  o 325.335 5.6868  57466.95   2003.85  57436.77   2311.73  57558.14   4018.77  325.110 6.5650  324.326 11.440  0.7847595      13.19025  
1 1 1 -16 31  3  o 229.880 4.3670  28661.92   1087.32  29514.70   1253.40  26068.46   2185.82  233.223 4.9619  218.657 9.2295  14.56613       10.47878  
1 1 1 -16 31  4  f 36.230  3.4129  717.812    132.347  797.842    145.966  347.980    313.780  38.197  3.5696  26.457  9.0770  11.74006       9.753663  
1 1 1 -16 31  5  o 47.811  2.9952  1243.67    154.321  1277.78    172.247  1104.93    347.414  48.441  3.3027  44.470  7.4784  3.970871       8.175207  
1 1 1 -16 31  6  o 104.571 2.7855  5925.83    315.488  5669.80    359.763  6778.22    656.428  102.275 3.2477  111.738 5.4240  -9.462395      6.321944  
1 1 1 -16 31  7  o 289.422 5.2188  45471.27   1635.97  46556.02   1887.72  42198.57   3278.89  292.749 5.9535  277.705 10.901  15.04431       12.42093  
1 1 1 -16 31  8  o 245.103 4.4767  32594.03   1188.44  32104.95   1371.05  34071.95   2383.37  243.178 5.2055  249.940 8.8041  -6.761185      10.22788  
1 1 1 -16 31  9  o 286.267 5.8758  44529.55   1821.83  43168.80   2229.83  47261.69   3159.62  281.600 7.3109  294.004 9.9223  -12.40390      12.32480  
1 1 1 -16 31  10 o 30.343  6.4350  519.690    204.927  540.344    244.917  471.474    374.203  30.886  7.4151  30.048  9.9088  0.8379993      12.37611  
1 1 1 -16 31  11 o 104.845 3.0799  5959.31    349.744  6161.56    403.922  5353.42    699.110  106.593 3.4986  98.974  6.5588  7.619087       7.433544  
1 1 1 -16 31  12 o 150.592 3.3728  12298.83   550.120  12798.96   617.779  10383.38   1209.00  153.600 3.7134  137.661 8.1448  15.93913       8.951375  
1 1 1 -16 31  13 o 188.474 3.8337  19277.31   782.598  19078.62   905.808  19862.28   1554.22  187.431 4.4619  190.748 7.5229  -3.316696      8.746574  
1 1 1 -16 31  14 o 200.734 3.9694  21878.53   862.999  21014.41   997.630  24447.69   1720.19  196.629 4.6844  211.480 7.5099  -14.85170      8.851146  
1 1 1 -16 31  15 o 301.844 5.4192  49632.55   1771.68  47796.89   2046.67  55119.91   3538.63  295.872 6.3867  315.646 10.351  -19.77374      12.16241  
1 1 1 -16 31  16 o 101.799 3.0700  5625.06    338.492  5467.58    396.451  6048.66    650.206  100.316 3.6488  105.108 5.7331  -4.792328      6.795743  
1 1 1 -16 31  17 o 51.393  3.8106  1444.48    210.605  1448.62    257.824  1436.19    365.103  51.339  4.6884  50.705  6.8211  0.6341209      8.276950  
1 1 1 -16 31  18 o 63.150  2.7591  2165.77    188.715  2918.37    313.940  1739.96    236.141  73.087  3.9808  56.392  3.8900  16.69510       5.565883  
1 1 1 -16 31  19 o 151.547 3.4840  12503.86   571.863  12147.03   664.430  13523.53   1123.19  149.214 4.1112  156.523 6.6253  -7.309006      7.797209  
1 1 1 -16 31  20 o 111.283 3.3297  6743.95    401.336  6338.88    469.954  7835.26    771.373  107.751 4.0269  119.065 6.0008  -11.31488      7.226672  
1 1 1 -16 31  21 o 75.529  3.4505  3111.46    282.272  2974.51    414.309  3230.09    385.618  73.328  5.2513  76.593  4.6707  -3.264771      7.027911  
1 1 1 -16 31  22 f 80.977  2.9279  3572.00    256.791  3230.84    415.529  3782.80    326.627  76.415  5.0490  83.202  3.6245  -6.787697      6.215288  
1 1 1 -16 31  23 o 52.237  2.2846  1483.98    129.260  1487.08    149.134  1474.59    259.161  52.188  2.6470  51.521  4.6958  0.6665535      5.390457  
1 1 1 -16 31  24 o 33.066  1.5864  593.525    56.814   602.683    58.576   448.186    233.361  33.318  1.6232  27.565  7.5801  5.752621       7.751954  
1 1 1 -16 31  25 o 42.842  4.9052  1032.95    223.510  1272.10    472.978  964.194    253.615  45.320  9.9116  41.042  5.8727  4.278194       11.52082  
1 1 1 -16 31  26 o 32.687  6.3477  626.272    216.629  513.479    461.421  658.162    245.349  29.922  10.932  33.280  7.0272  -3.357721      12.99577  
1 1 1 -16 31  27 o 52.557  4.2749  1549.88    241.238  864.001    514.719  1742.95    273.089  35.686  11.614  55.616  4.5740  -19.93074      12.48244  
1 1 1 -16 31  28 o 33.733  6.2839  687.521    221.146  123.929    484.354  835.953    248.567  23.134  10.131  37.210  6.3982  -14.07626      11.98234  
1 1 1 -16 31  29 o 53.156  6.4716  1716.54    364.902  1405.81    538.616  1980.16    496.100  43.239  11.355  54.999  8.6106  -11.76006      14.25068  
1 1 1 -16 31  30 o 34.944  1.7302  667.350    65.483   678.133    66.819   405.768    329.102  35.221  1.7516  24.767  9.2005  10.45388       9.365727  
1 1 1 -16 31  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 31  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 32  1  o 157.579 3.2269  13458.60   550.743  13411.28   631.968  13607.99   1122.95  157.280 3.7098  158.243 6.5519  -0.9629364     7.529248  
1 1 1 -16 32  2  o 278.961 4.9348  42225.86   1491.02  42456.68   1719.28  41525.59   2994.61  279.633 5.6766  275.793 10.025  3.840240       11.52065  
1 1 1 -16 32  3  o 185.164 3.7885  18589.15   759.794  19080.88   874.487  17074.69   1534.68  187.566 4.3046  177.106 8.0004  10.45959       9.084934  
1 1 1 -16 32  4  o 84.792  2.6907  3895.90    247.109  3823.19    280.000  4151.96    525.480  83.989  3.0780  87.271  5.5886  -3.281746      6.380145  
1 1 1 -16 32  5  o 222.258 4.1685  26790.82   1003.48  26831.28   1156.67  26667.71   2017.73  222.373 4.8024  221.252 8.4199  1.120911       9.693182  
1 1 1 -16 32  6  o 132.770 3.1147  9554.41    447.901  9734.18    514.642  8993.01    909.452  133.997 3.5460  128.460 6.5583  5.536392       7.455553  
1 1 1 -16 32  7  o 301.062 5.2969  49208.91   1727.21  49477.05   1993.05  48400.02   3461.57  301.758 6.0980  297.416 10.746  4.341797       12.35549  
1 1 1 -16 32  8  o 276.130 4.9196  41386.60   1471.35  40442.45   1697.33  44241.08   2951.28  272.850 5.7435  284.592 9.5745  -11.74200      11.16509  
1 1 1 -16 32  9  o 215.811 4.7607  25279.96   1112.79  25292.30   1362.86  25255.28   1927.48  215.741 5.8324  215.213 8.2690  0.5280304      10.11894  
1 1 1 -16 32  10 o 151.885 3.7968  12512.02   624.600  11478.02   759.274  14676.47   1098.53  145.406 4.8211  164.293 6.1734  -18.88745      7.832845  
1 1 1 -16 32  11 o 86.738  3.0745  4078.86    288.839  4183.23    332.403  3757.13    583.611  87.827  3.4944  82.831  6.5589  4.996330       7.431633  
1 1 1 -16 32  12 o 68.862  2.6679  2570.37    198.982  2737.18    294.167  2429.67    270.167  70.922  3.8438  66.816  3.7483  4.106430       5.368917  
1 1 1 -16 32  13 o 112.781 3.1171  6898.24    380.769  7073.93    442.049  6393.06    749.581  114.183 3.5744  108.133 6.4291  6.049660       7.355929  
1 1 1 -16 32  14 o 72.488  3.2469  2850.80    254.921  3026.20    298.163  2374.23    491.484  74.665  3.6870  65.565  7.0307  9.099655       7.938775  
1 1 1 -16 32  15 o 60.896  3.5308  2020.30    231.882  2060.77    275.809  1922.73    428.264  61.434  4.1698  58.910  6.8393  2.524155       8.010201  
1 1 1 -16 32  16 o 36.901  4.8742  754.578    190.043  620.836    234.782  1008.72    323.644  33.075  6.7814  42.284  7.3325  -9.209080      9.987647  
1 1 1 -16 32  17 o 34.539  5.5048  667.959    199.016  874.417    259.728  374.352    309.733  39.466  6.2871  26.761  9.0194  12.70425       10.99443  
1 1 1 -16 32  18 f 94.969  3.0430  4901.75    313.011  4837.83    398.580  5004.60    505.594  94.239  3.9049  95.568  4.9010  -1.328377      6.266428  
1 1 1 -16 32  19 o 81.137  3.4059  3583.88    299.310  3294.35    347.823  4410.09    587.562  77.584  4.1543  89.292  6.1121  -11.70762      7.390256  
1 1 1 -16 32  20 o 21.098  6.7877  241.394    176.137  81.845     241.976  421.207    256.883  18.662  7.6031  27.215  8.1078  -8.552782      11.11503  
1 1 1 -16 32  21 o 46.889  4.1490  1212.37    208.536  1408.36    402.623  1140.51    243.784  49.561  7.7546  45.268  5.0586  4.292965       9.258718  
1 1 1 -16 32  22 o 60.582  3.5900  2012.39    234.510  2330.61    463.103  1902.65    271.957  64.261  6.7548  58.741  4.3045  5.519955       8.009750  
1 1 1 -16 32  23 o 34.678  5.7159  684.950    207.206  872.314    434.298  629.730    235.770  37.837  10.314  32.909  6.8380  4.928654       12.37518  
1 1 1 -16 32  24 o 82.137  3.3126  3692.58    294.698  3497.05    602.191  3754.15    337.929  78.131  7.1970  82.689  3.7732  -4.557365      8.126091  
1 1 1 -16 32  25 o 103.894 3.2332  5915.18    363.820  5398.94    740.720  6079.33    417.673  96.876  7.1091  105.147 3.6675  -8.271675      7.999311  
1 1 1 -16 32  26 o 63.997  3.7554  2266.44    259.168  2423.78    542.214  2219.84    295.056  63.886  8.0123  63.106  4.3432  0.7792282      9.113740  
1 1 1 -16 32  27 o 33.278  6.2801  657.218    218.055  893.098    469.900  592.485    246.164  36.336  10.998  31.087  7.4150  5.249384       13.26395  
1 1 1 -16 32  28 o 29.806  7.8838  571.013    258.431  608.802    476.025  555.221    307.729  29.740  11.062  28.950  8.9268  0.7901917      14.21447  
1 1 1 -16 32  29 o 51.097  2.5382  1438.46    140.471  1450.31    146.953  1312.95    478.245  51.200  2.6591  42.737  10.425  8.462742       10.75850  
1 1 1 -16 32  30 o 33.703  1.7858  622.960    64.956   626.636    65.708   465.193    430.454  33.799  1.8014  26.097  10.307  7.702467       10.46303  
1 1 1 -16 32  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 32  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 33  1  o 273.836 5.1686  40698.34   1532.98  39840.11   1811.29  42865.33   2878.16  270.807 6.1753  280.306 9.4801  -9.499481      11.31397  
1 1 1 -16 33  2  o 110.934 2.7873  6668.83    334.901  6245.69    380.408  8126.73    706.115  107.344 3.2719  122.358 5.3281  -15.01346      6.252531  
1 1 1 -16 33  3  f 267.451 4.9238  38814.89   1426.31  39559.43   1644.61  36555.48   2864.95  269.921 5.6254  258.694 10.225  11.22745       11.67023  
1 1 1 -16 33  4  o 184.446 3.9084  18447.38   780.797  18879.63   853.793  16238.85   1929.91  186.574 4.2250  172.077 10.404  14.49702       11.22897  
1 1 1 -16 33  5  o 76.880  2.4602  3202.53    204.858  3322.73    258.131  2998.01    336.710  78.299  3.0438  74.229  4.2053  4.069672       5.191286  
1 1 1 -16 33  6  o 12.188  5.0769  15.671     111.107  35.988     121.169  -91.6499   278.482  13.246  5.3865  17.180  7.5967  -3.934132      9.312593  
1 1 1 -16 33  7  o 112.576 2.9945  6868.94    365.125  7165.77    420.048  5951.29    738.553  114.970 3.3732  104.419 6.5637  10.55112       7.379769  
1 1 1 -16 33  8  o 105.001 2.9115  5975.62    331.111  6195.67    392.986  5437.15    614.746  106.901 3.3941  99.879  5.7063  7.021217       6.639421  
1 1 1 -16 33  9  o 44.492  4.5621  1085.50    216.735  1301.58    269.932  693.433    363.601  48.683  5.1997  35.028  9.3915  13.65437       10.73486  
1 1 1 -16 33  10 o 82.521  3.4445  3692.57    307.868  3581.60    367.116  3955.60    565.178  81.139  4.1917  85.067  6.1763  -3.928352      7.464361  
1 1 1 -16 33  11 o 159.672 3.4714  13827.07   600.346  13499.96   694.104  14798.47   1196.13  157.730 4.0630  164.859 6.6988  -7.129456      7.834617  
1 1 1 -16 33  12 o 52.309  2.4601  1483.00    139.379  1765.93    249.335  1354.41    168.096  56.896  4.0730  49.879  3.1273  7.016361       5.135118  
1 1 1 -16 33  13 o 177.569 3.6665  17111.16   705.168  17045.61   815.110  17306.18   1405.93  177.165 4.2478  178.031 7.2912  -0.8659973     8.438325  
1 1 1 -16 33  14 o 123.511 3.2385  8277.27    433.228  8010.69    504.034  9031.20    847.637  121.459 3.8314  128.702 6.0807  -7.242317      7.187150  
1 1 1 -16 33  15 o 137.816 3.2995  10310.83   492.510  10207.50   571.391  10609.52   971.433  137.064 3.8489  139.324 6.4375  -2.260529      7.500379  
1 1 1 -16 33  16 o 133.970 3.2387  9747.43    469.952  9453.90    546.284  10583.11   921.765  131.864 3.8249  139.090 6.1186  -7.225815      7.215791  
1 1 1 -16 33  17 o 49.134  4.0953  1323.60    215.955  1243.22    271.494  1462.06    356.338  47.390  5.3850  51.192  6.5790  -3.801880      8.501836  
1 1 1 -16 33  18 f 89.929  2.9699  4395.05    289.277  4533.30    379.051  4202.23    447.651  91.226  3.8363  87.574  4.7371  3.652252       6.095641  
1 1 1 -16 33  19 o 60.978  3.3235  2029.88    218.678  1853.35    299.206  2232.30    320.395  57.999  4.8063  63.716  4.6753  -5.717182      6.705153  
1 1 1 -16 33  20 o 38.821  2.3461  821.533    98.186   777.268    103.437  1224.62    312.137  37.735  2.5457  46.656  6.3411  -8.921700      6.833006  
1 1 1 -16 33  21 o 49.153  2.2372  1312.50    119.104  1318.75    135.807  1291.69    247.883  49.180  2.5584  48.261  4.8061  0.9190559      5.444616  
1 1 1 -16 33  22 o 31.891  1.4606  551.620    50.450   561.609    51.820   370.178    220.844  32.178  1.4869  25.397  7.5062  6.780430       7.652052  
1 1 1 -16 33  23 o 45.052  4.7573  1131.87    228.626  1174.01    457.409  1117.84    263.965  44.044  9.8369  44.526  5.5972  -0.4822350     11.31782  
1 1 1 -16 33  24 o 34.175  2.0565  637.401    75.765   621.171    79.714   789.148    243.750  33.717  2.1948  36.993  6.3100  -3.275761      6.680793  
1 1 1 -16 33  25 o 51.234  2.4058  1431.03    133.504  1404.06    153.985  1512.65    267.909  50.610  2.8203  51.956  4.8156  -1.345608      5.580720  
1 1 1 -16 33  26 o 35.760  1.9096  697.901    73.694   697.773    77.224   699.206    246.574  35.743  2.0028  34.328  6.8715  1.414410       7.157399  
1 1 1 -16 33  27 o 50.055  2.1378  1368.04    115.899  1428.82    129.036  1114.34    263.642  51.115  2.3307  43.801  5.6918  7.314568       6.150506  
1 1 1 -16 33  28 f 57.506  4.8132  1901.75    297.038  1840.15    538.073  1928.75    356.239  52.075  9.9017  57.153  5.8368  -5.077545      11.49401  
1 1 1 -16 33  29 o 26.056  9.1756  450.705    321.681  656.051    495.857  301.480    422.701  29.839  11.252  24.038  9.9482  5.800936       15.01891  
1 1 1 -16 33  30 o 23.497  9.0903  347.511    329.168  86.097     518.755  523.707    425.890  22.113  10.025  26.951  10.364  -4.837959      14.41934  
1 1 1 -16 33  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 34  1  o 157.959 3.4348  13525.73   587.652  13556.63   674.312  13428.14   1198.25  158.114 3.9375  157.138 7.0404  0.9767303      8.066676  
1 1 1 -16 34  2  o 153.609 3.4977  12791.58   581.927  12529.52   650.747  13837.63   1300.16  152.006 3.9526  159.469 7.5275  -7.462463      8.502132  
1 1 1 -16 34  3  o 457.452 7.8030  113912.30  3866.14  117129.50  4462.66  104233.60  7740.44  463.512 8.8892  433.747 16.476  29.76547       18.72126  
1 1 1 -16 34  4  o 352.112 6.1534  67361.68   2346.75  69584.61   2708.23  60661.98   4701.65  357.706 6.9902  332.257 13.065  25.44907       14.81738  
1 1 1 -16 34  5  o 184.558 3.6087  18467.32   721.371  17752.80   829.968  20674.34   1458.67  180.913 4.2357  194.978 6.9072  -14.06458      8.102487  
1 1 1 -16 34  6  o 265.954 5.0926  38395.41   1466.94  39349.30   1582.22  32555.72   3914.83  269.195 5.4266  242.281 14.992  26.91408       15.94404  
1 1 1 -16 34  7  f 320.135 5.5559  55664.72   1926.46  56454.79   2223.03  53282.06   3860.50  322.251 6.3691  311.737 11.434  10.51440       13.08795  
1 1 1 -16 34  8  o 147.807 3.3691  11844.68   539.354  12242.82   601.623  10214.49   1217.37  150.253 3.6968  136.627 8.2654  13.62671       9.054503  
1 1 1 -16 34  9  o 22.351  7.0063  268.848    188.684  336.025    235.748  149.120    314.729  24.972  7.8321  22.302  8.8116  2.669260       11.78921  
1 1 1 -16 34  10 o 157.240 3.8526  13412.18   656.131  12236.71   797.113  15882.16   1155.47  150.114 4.9026  170.874 6.2433  -20.76039      7.938156  
1 1 1 -16 34  11 o 193.167 3.7871  20243.59   792.344  19295.04   913.701  23119.85   1591.07  188.520 4.4748  205.964 7.1323  -17.44389      8.419802  
1 1 1 -16 34  12 o 149.717 3.4707  12159.60   562.810  12040.92   629.992  12628.71   1252.52  148.951 3.9050  152.089 7.6035  -3.138123      8.547684  
1 1 1 -16 34  13 o 65.172  3.3587  2310.51    236.280  2484.97    274.338  1809.31    464.986  67.557  3.7642  57.019  7.7283  10.53755       8.596314  
1 1 1 -16 34  14 o 115.852 3.1280  7282.38    392.498  7222.40    455.513  7455.31    773.421  115.335 3.6465  116.746 6.1381  -1.411240      7.139503  
1 1 1 -16 34  15 f 159.962 3.4951  13896.99   605.547  13868.13   701.474  13981.41   1199.63  159.717 4.0550  159.778 6.9320  -0.6082153E-01 8.030945  
1 1 1 -16 34  16 o 58.585  3.4309  1871.27    216.753  1794.77    258.973  2050.21    396.075  57.272  4.2042  60.914  6.0847  -3.641888      7.395895  
1 1 1 -16 34  17 o 12.862  5.7986  -87.0645   170.755  -262.7590  226.169  145.839    260.401  12.903  6.1053  20.608  8.0537  -7.705456      10.10629  
1 1 1 -16 34  18 o 111.070 2.8069  6702.45    337.664  6987.11    448.615  6330.41    512.867  113.276 3.6565  107.691 4.3970  5.585693       5.718696  
1 1 1 -16 34  19 o 118.543 3.1408  7645.47    403.255  8238.55    591.772  7131.32    550.987  122.769 4.4504  114.221 4.4538  8.548172       6.296168  
1 1 1 -16 34  20 o 120.995 3.2544  7974.39    426.491  7596.40    617.592  8318.97    589.673  117.679 4.8454  123.282 4.4161  -5.602844      6.555959  
1 1 1 -16 34  21 o 129.967 3.7293  9228.68    524.965  9279.46    903.458  9202.80    645.032  129.195 6.4564  129.488 4.5992  -0.2935791     7.927044  
1 1 1 -16 34  22 o 62.942  3.5286  2171.75    239.582  1535.96    468.857  2396.43    278.718  51.224  8.7660  66.038  3.9142  -14.81396      9.600196  
1 1 1 -16 34  23 o 56.888  3.9046  1783.92    239.130  1883.80    494.628  1753.45    273.177  56.820  8.2807  56.230  4.5237  0.5896721      9.435754  
1 1 1 -16 34  24 o 82.079  3.3262  3689.33    295.695  3807.27    605.762  3652.44    338.801  81.640  6.9156  81.518  3.8373  0.1222305      7.908877  
1 1 1 -16 34  25 o 61.961  3.7804  2121.22    252.486  2337.97    524.135  2055.72    288.119  63.105  7.8373  60.777  4.4068  2.327202       8.991254  
1 1 1 -16 34  26 o 35.327  5.8915  724.856    217.487  968.215    461.850  655.514    246.533  38.578  10.686  33.096  7.0909  5.481998       12.82473  
1 1 1 -16 34  27 o 49.539  4.4962  1389.49    238.620  1359.51    500.568  1398.31    271.446  45.016  10.465  49.368  5.1524  -4.352489      11.66474  
1 1 1 -16 34  28 o 48.312  5.8093  1382.96    297.887  1618.40    530.038  1274.26    360.144  48.055  10.479  44.992  7.6652  3.062195       12.98317  
1 1 1 -16 34  29 o 34.319  9.0239  808.646    339.886  711.168    529.119  877.125    443.482  30.577  11.601  34.221  10.744  -3.643911      15.81138  
1 1 1 -16 34  30 o 40.533  8.3737  1110.63    355.451  1347.12    553.656  944.807    463.612  40.285  11.879  34.417  11.006  5.868351       16.19372  
1 1 1 -16 34  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 35  1  o 165.822 3.4039  14906.00   611.348  15082.21   701.872  14352.02   1244.50  166.774 3.8856  162.442 7.0734  4.332245       8.070359  
1 1 1 -16 35  2  o 190.526 3.7741  19682.71   778.818  19712.98   895.636  19588.86   1577.16  190.635 4.3377  189.706 7.6758  0.9290314      8.816654  
1 1 1 -16 35  3  o 197.611 3.7334  21173.30   799.072  21076.40   919.228  21472.98   1616.54  197.119 4.3055  198.637 7.5137  -1.518738      8.659891  
1 1 1 -16 35  4  f 156.999 3.3034  13361.37   561.723  13217.08   644.851  13815.32   1143.75  156.124 3.8135  159.411 6.6244  -3.287720      7.643600  
1 1 1 -16 35  5  o 169.890 3.6994  15650.09   680.716  16261.17   795.854  13984.56   1313.90  173.141 4.2439  160.280 7.5686  12.86180       8.677205  
1 1 1 -16 35  6  o 332.660 6.1686  60143.61   2222.58  59504.02   2633.70  61726.13   4142.75  330.639 7.3543  335.571 11.398  -4.932068      13.56479  
1 1 1 -16 35  7  o 167.347 3.4997  15184.41   634.327  15800.52   730.425  13294.18   1279.39  170.680 3.9511  156.241 7.5603  14.43925       8.530526  
1 1 1 -16 35  8  o 372.939 6.3654  75631.49   2571.18  74529.95   2967.65  78947.60   5149.05  369.945 7.4064  378.789 12.550  -8.843903      14.57288  
1 1 1 -16 35  9  o 154.252 3.8917  12906.45   650.191  12639.65   799.234  13428.57   1118.05  152.581 4.8362  157.104 6.5706  -4.523010      8.158495  
1 1 1 -16 35  10 o 116.339 3.4583  7340.18    435.776  6899.85    528.008  8280.86    771.746  112.751 4.3237  123.413 5.7736  -10.66239      7.213037  
1 1 1 -16 35  11 o 103.382 3.0448  5795.03    340.933  5422.12    391.871  6956.25    691.509  99.976  3.6189  113.101 5.6450  -13.12570      6.705377  
1 1 1 -16 35  12 o 111.429 3.0712  6733.50    370.655  6465.07    434.988  7445.02    708.203  109.152 3.6794  116.980 5.5895  -7.827911      6.691843  
1 1 1 -16 35  13 o 98.009  3.1005  5210.59    329.125  5037.24    382.746  5702.53    644.767  96.333  3.6683  102.151 5.8520  -5.818077      6.906665  
1 1 1 -16 35  14 o 94.663  3.0426  4862.21    311.958  4754.27    360.922  5181.04    620.300  93.574  3.5611  97.285  5.9150  -3.710907      6.904249  
1 1 1 -16 35  15 o 81.446  3.1740  3601.22    279.991  3812.24    328.090  3035.63    537.139  83.767  3.6162  74.156  6.7619  9.610481       7.668122  
1 1 1 -16 35  16 o 76.039  3.1585  3140.65    260.129  2991.87    305.550  3532.49    495.861  74.068  3.8218  80.166  5.7490  -6.098564      6.903414  
1 1 1 -16 35  17 o 26.045  5.9701  386.699    164.809  434.388    233.539  339.387    232.615  27.599  7.5804  24.845  7.7778  2.754375       10.86079  
1 1 1 -16 35  18 o 52.012  3.8396  1482.09    214.775  1683.17    329.823  1334.06    283.001  55.110  5.6035  49.040  5.4185  6.070141       7.794852  
1 1 1 -16 35  19 o 15.930  6.4739  58.610     174.890  188.338    280.472  -23.9206   223.708  21.912  8.4142  16.083  6.9661  5.829147       10.92358  
1 1 1 -16 35  20 o 36.745  5.2677  757.065    203.651  581.401    314.219  884.301    267.420  31.593  8.8367  39.461  6.4820  -7.868313      10.95917  
1 1 1 -16 35  21 o 36.353  5.5866  746.018    212.930  1163.84    324.815  431.157    281.967  45.213  6.8472  27.532  8.5542  17.68123       10.95708  
1 1 1 -16 35  22 o 46.015  4.0298  1169.33    198.817  1460.42    334.278  1009.99    247.316  50.852  6.1974  42.367  5.5207  8.484852       8.299777  
1 1 1 -16 35  23 o 109.907 3.1837  6601.21    378.989  7094.90    766.720  6441.59    435.974  112.301 6.3293  108.395 3.7135  3.906189       7.338296  
1 1 1 -16 35  24 o 89.529  3.2594  4388.90    316.062  3774.61    643.887  4583.90    362.774  80.909  7.4306  91.364  3.6660  -10.45564      8.285748  
1 1 1 -16 35  25 o 58.562  2.6291  1872.36    166.759  2002.10    516.998  1857.30    176.175  57.941  8.4900  58.296  2.7902  -0.3548203     8.936763  
1 1 1 -16 35  26 o 27.135  7.0779  442.975    210.189  174.844    444.261  520.303    238.581  24.126  10.109  29.286  7.4913  -5.160517      12.58207  
1 1 1 -16 35  27 o 49.712  4.5047  1401.56    239.913  1468.52    516.587  1383.15    270.900  46.666  10.477  49.033  5.1793  -2.367004      11.68750  
1 1 1 -16 35  28 o 36.590  7.1016  834.406    271.293  537.741    514.684  948.543    319.244  28.491  11.265  38.483  7.9232  -9.991777      13.77198  
1 1 1 -16 35  29 o 17.974  7.9953  3.9889     312.937  -95.4394   495.029  70.171     403.874  20.511  9.4807  20.621  9.1320  -0.1107426     13.16349  
1 1 1 -16 35  30 o 17.794  7.9729  2.0908     317.298  -128.5270  505.815  86.839     407.432  19.999  9.3579  20.490  9.1181  -0.4910927     13.06563  
1 1 1 -16 35  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 36  1  o 254.619 4.7116  35178.72   1299.36  35154.18   1497.42  35253.50   2614.21  254.447 5.4335  254.121 9.4980  0.3262482      10.94229  
1 1 1 -16 36  2  o 263.382 5.1021  37654.52   1455.48  38262.04   1569.49  33922.96   3889.79  265.453 5.4589  247.543 14.572  17.91003       15.56111  
1 1 1 -16 36  3  o 82.131  2.5564  3655.17    227.411  3756.63    277.524  3447.82    396.750  83.252  3.0778  79.581  4.6229  3.671318       5.553734  
1 1 1 -16 36  4  o 113.448 2.8605  6975.21    351.487  7057.07    403.268  6716.45    716.992  114.099 3.2632  111.024 5.9846  3.074768       6.816428  
1 1 1 -16 36  5  o 110.178 2.8530  6579.06    340.464  6455.27    388.473  6989.10    707.009  109.123 3.2868  113.280 5.7816  -4.156326      6.650589  
1 1 1 -16 36  6  o 292.898 5.1557  46579.63   1635.60  46290.12   1886.53  47455.99   3282.24  291.859 5.9679  294.510 10.290  -2.651276      11.89504  
1 1 1 -16 36  7  o 231.202 4.5966  29009.62   1151.07  28695.10   1247.11  30818.99   2991.17  229.900 5.0084  236.950 11.655  -7.049942      12.68557  
1 1 1 -16 36  8  o 65.883  3.0168  2352.86    215.273  2335.35    245.320  2411.52    448.917  65.536  3.4684  66.294  6.3289  -0.7584229     7.216999  
1 1 1 -16 36  9  o 173.946 4.1729  16418.10   786.185  16365.36   963.690  16523.05   1359.42  173.580 5.1259  174.163 7.2065  -0.5831299     8.843557  
1 1 1 -16 36  10 o 184.882 4.3630  18554.48   873.672  18546.33   1069.81  18570.78   1513.84  184.733 5.3468  184.529 7.5743  0.2039948      9.271390  
1 1 1 -16 36  11 o 205.141 3.9983  22839.92   888.376  22617.82   1024.74  23511.79   1782.32  204.065 4.6363  207.475 7.9314  -3.409546      9.187120  
1 1 1 -16 36  12 o 103.921 2.9687  5856.58    334.154  5751.49    399.873  6099.83    608.369  102.952 3.5861  105.764 5.3279  -2.811852      6.422321  
1 1 1 -16 36  13 o 98.171  3.0233  5227.91    321.466  4899.87    370.152  6234.70    648.455  95.008  3.5971  106.844 5.6233  -11.83603      6.675344  
1 1 1 -16 36  14 o 219.733 4.2146  26248.82   1003.03  26097.02   1158.92  26702.00   2002.37  218.951 4.8869  220.364 8.3894  -1.413681      9.708998  
1 1 1 -16 36  15 o 29.677  6.2534  499.650    194.663  520.417    234.972  454.210    347.575  30.198  7.2711  29.138  9.5469  1.059334       12.00053  
1 1 1 -16 36  16 o 163.952 3.1972  14604.00   567.755  13968.45   739.789  15514.75   885.591  160.144 4.2651  168.635 4.8486  -8.490631      6.457540  
1 1 1 -16 36  17 o 156.537 3.4820  13330.78   590.362  12415.76   844.206  14206.52   825.891  150.655 5.1736  161.287 4.7277  -10.63200      7.008419  
1 1 1 -16 36  18 o 99.357  3.1610  5369.52    340.171  5299.09    509.228  5426.27    457.127  98.428  4.7766  99.708  4.2329  -1.280258      6.382289  
1 1 1 -16 36  19 o 41.157  4.7709  939.714    208.728  804.724    313.705  1046.95    279.602  37.287  8.0068  43.154  6.1566  -5.866314      10.10012  
1 1 1 -16 36  20 o 40.820  4.6466  925.145    201.775  1099.27    321.397  811.865    259.227  43.932  6.9885  37.733  6.5822  6.198936       9.600257  
1 1 1 -16 36  21 o 127.775 3.3707  8908.61    466.478  9121.69    681.606  8720.88    639.778  128.762 4.8874  125.980 4.6888  2.782059       6.772812  
1 1 1 -16 36  22 o 136.786 3.2920  10218.28   487.726  10943.04   969.241  9972.53    564.388  139.936 6.3949  134.918 3.8622  5.018097       7.470673  
1 1 1 -16 36  23 o 103.639 3.1894  5871.11    358.018  6885.23    724.897  5543.94    411.739  110.754 6.0660  100.522 3.7817  10.23219       7.148252  
1 1 1 -16 36  24 o 35.899  5.6680  737.411    213.067  447.660    443.122  824.547    243.002  28.936  10.690  37.840  6.1394  -8.904469      12.32794  
1 1 1 -16 36  25 o 20.252  7.2815  208.181    203.592  482.831    444.040  135.075    229.090  29.360  10.725  19.048  7.5203  10.31224       13.09852  
1 1 1 -16 36  26 o 36.078  1.5254  707.369    59.608   726.376    61.516   415.175    241.193  36.557  1.5536  26.203  7.8676  10.35375       8.019573  
1 1 1 -16 36  27 f 28.146  2.1078  435.300    63.790   420.568    66.024   642.010    247.318  27.640  2.2242  32.192  7.2656  -4.551586      7.598459  
1 1 1 -16 36  28 o 18.855  7.8288  121.193    263.001  130.186    345.397  108.785    405.724  20.659  8.7964  21.439  9.3334  -0.7793159     12.82538  
1 1 1 -16 36  29 o 26.266  9.2138  465.959    324.176  481.090    506.094  455.431    422.147  27.018  11.000  26.275  10.258  0.7429276      15.04101  
1 1 1 -16 36  30 o 34.472  9.0470  845.515    342.049  1311.17    530.814  514.861    447.298  39.956  11.589  26.656  10.513  13.29965       15.64685  
1 1 1 -16 36  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 37  1  f 190.378 3.7362  19653.02   770.401  19475.77   885.590  20204.54   1562.12  189.477 4.3153  192.658 7.4861  -3.181763      8.640792  
1 1 1 -16 37  2  o 303.252 5.3189  49931.57   1747.00  49874.53   2014.59  50104.53   3507.95  302.948 6.1397  302.583 10.704  0.3649902      12.33967  
1 1 1 -16 37  3  o 155.530 3.3358  13113.36   561.929  13098.56   644.459  13160.31   1147.69  155.417 3.8285  155.555 6.8120  -0.1378937     7.814116  
1 1 1 -16 37  4  o 148.262 3.2583  11916.08   523.220  12159.14   600.267  11147.37   1067.50  149.745 3.7010  143.152 6.8849  6.592712       7.816650  
1 1 1 -16 37  5  o 45.836  1.7239  1138.08    85.580   917.406    157.113  1231.18    102.048  40.978  3.5757  47.671  1.9764  -6.693611      4.085601  
1 1 1 -16 37  6  o 192.460 3.7161  20086.99   774.637  19500.14   891.658  21892.95   1564.19  189.580 4.3425  200.548 7.2011  -10.96788      8.409104  
1 1 1 -16 37  7  o ?       ?       -146.8097  35.095   518.517    155.368  -182.5826  36.026   30.531  4.8615  ?       ?       0.000000       4.861459  
1 1 1 -16 37  8  o 137.122 3.2374  10194.16   480.818  10540.12   553.686  9133.15    969.635  139.408 3.6670  129.343 6.9469  10.06491       7.855302  
1 1 1 -16 37  9  o 50.711  4.4410  1406.51    241.465  1367.14    305.747  1471.76    393.634  49.816  5.7736  51.474  7.2623  -1.657448      9.277697  
1 1 1 -16 37  10 o 176.837 4.1124  16971.78   787.651  16435.56   962.284  18060.38   1371.08  173.919 5.1084  182.054 6.9533  -8.135376      8.628140  
1 1 1 -16 37  11 f 192.723 3.8630  20157.43   806.353  19755.57   931.026  21363.74   1613.07  190.718 4.5071  197.814 7.5288  -7.096298      8.774776  
1 1 1 -16 37  12 o 191.799 4.1000  19977.14   851.726  19677.80   932.239  21489.00   2095.09  190.300 4.5229  197.647 9.7868  -7.347427      10.78141  
1 1 1 -16 37  13 o 104.394 3.1443  5913.16    355.524  5642.15    412.815  6691.34    699.531  101.933 3.7391  110.637 5.8585  -8.704323      6.950038  
1 1 1 -16 37  14 o 174.568 3.6389  16553.67   688.030  16193.89   795.115  17626.03   1372.72  172.564 4.2541  179.379 7.0654  -6.814819      8.247299  
1 1 1 -16 37  15 o 190.681 3.4425  19754.82   710.970  19486.30   921.744  20149.24   1117.12  189.162 4.4989  192.126 5.3684  -2.964493      7.004238  
1 1 1 -16 37  16 o 59.118  3.5453  1907.33    225.963  2104.88    346.431  1761.04    298.106  61.850  5.2202  56.590  4.9123  5.259762       7.168056  
1 1 1 -16 37  17 o 76.506  3.1790  3182.33    263.429  3630.48    392.823  2816.09    355.115  81.440  4.4705  71.672  4.5989  9.767853       6.413641  
1 1 1 -16 37  18 o 26.914  6.2941  414.883    180.199  175.966    280.641  582.487    235.055  21.686  8.3924  31.850  7.0043  -10.16434      10.93129  
1 1 1 -16 37  19 o 53.365  3.9615  1563.05    227.343  1659.10    340.231  1485.58    305.576  54.576  5.8467  51.685  5.5452  2.890659       8.058180  
1 1 1 -16 37  20 o 86.791  3.1865  4104.33    299.541  4105.57    451.368  4103.35    400.422  86.330  4.8468  86.571  4.2704  -0.2415237     6.459773  
1 1 1 -16 37  21 o 43.726  4.6358  1061.84    216.200  1324.46    333.653  871.760    283.853  48.353  6.5385  38.940  6.9869  9.413029       9.569151  
1 1 1 -16 37  22 o 23.789  7.1507  323.387    199.156  133.563    366.662  402.825    237.195  22.669  9.3114  26.371  7.7749  -3.702324      12.13059  
1 1 1 -16 37  23 o 33.181  2.4844  602.995    88.638   527.756    94.982   1110.44    246.670  30.970  2.8641  44.438  5.2248  -13.46788      5.958266  
1 1 1 -16 37  24 o 33.134  6.1024  635.898    210.928  1099.31    453.298  507.830    238.299  42.041  10.085  29.197  7.4968  12.84372       12.56590  
1 1 1 -16 37  25 o 24.406  7.3471  349.993    210.132  288.615    465.141  365.732    235.537  26.380  10.615  24.987  7.8272  1.392565       13.18887  
1 1 1 -16 37  26 o 46.609  4.9174  1233.07    244.493  1336.76    511.874  1202.42    278.290  45.099  10.649  45.641  5.7576  -0.5418739     12.10624  
1 1 1 -16 37  27 o 26.687  7.3497  445.283    219.199  505.890    487.288  429.908    245.433  28.455  11.046  26.113  7.9581  2.341330       13.61387  
1 1 1 -16 37  28 o 29.251  9.2105  580.219    325.669  725.675    505.906  477.289    425.573  31.358  11.448  27.106  10.375  4.251545       15.45011  
1 1 1 -16 37  29 o 19.792  1.9985  216.688    42.255   215.388    42.472   342.614    418.161  19.728  2.0160  24.411  9.9757  -4.682360      10.17733  
1 1 1 -16 37  30 o 24.027  1.4058  315.751    36.425   318.677    36.565   -64.4919   416.815  24.138  1.4046  18.982  8.7479  5.156504       8.859927  
1 1 1 -16 37  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 38  1  o 225.140 4.5497  27504.55   1109.44  27683.26   1305.73  27040.56   2103.96  225.786 5.3393  222.646 8.7247  3.140793       10.22885  
1 1 1 -16 38  2  o 361.944 6.9260  71270.05   2715.15  73603.27   3219.62  65524.89   5052.18  367.517 8.0883  344.845 13.526  22.67136       15.76026  
1 1 1 -16 38  3  o 161.055 3.3397  14062.15   582.568  14047.46   668.378  14108.58   1188.45  160.943 3.8342  161.047 6.8133  -0.1045074     7.818107  
1 1 1 -16 38  4  o 185.556 3.6725  18670.58   738.086  18287.18   848.757  19859.91   1494.88  183.598 4.2682  191.016 7.2255  -7.417252      8.391976  
1 1 1 -16 38  5  o 196.865 3.8623  21019.29   823.538  20907.24   947.733  21364.77   1664.08  196.292 4.4577  198.035 7.7583  -1.742737      8.947733  
1 1 1 -16 38  6  o 127.188 3.0577  8768.83    421.223  8823.19    482.724  8595.34    862.380  127.563 3.4938  125.566 6.3617  1.996582       7.258002  
1 1 1 -16 38  7  o 124.320 2.9747  8377.77    400.553  8003.99    459.685  9556.73    816.395  121.493 3.4933  132.615 5.6838  -11.12176      6.671471  
1 1 1 -16 38  8  o 282.875 4.9961  43457.34   1530.73  43940.86   1766.42  41999.41   3067.28  284.315 5.7362  276.837 10.230  7.478271       11.72812  
1 1 1 -16 38  9  o 199.341 4.5250  21573.70   976.984  21804.96   1197.14  21112.53   1690.54  200.284 5.5186  196.688 7.9356  3.596710       9.665832  
1 1 1 -16 38  10 o 224.138 4.8670  27293.36   1181.54  27019.71   1444.90  27845.69   2052.74  222.830 5.9868  225.686 8.3977  -2.855820      10.31321  
1 1 1 -16 38  11 o 151.652 3.3760  12476.33   554.525  12222.04   638.431  13257.52   1118.99  150.053 3.9283  155.945 6.6250  -5.891769      7.702074  
1 1 1 -16 38  12 o 127.442 3.1796  8811.07    438.895  9314.67    504.652  7247.55    889.204  131.004 3.5566  114.951 7.1779  16.05276       8.010686  
1 1 1 -16 38  13 o 131.202 3.2121  9342.16    456.462  9432.59    527.530  9072.69    910.583  131.790 3.6957  128.702 6.5540  3.088898       7.524140  
1 1 1 -16 38  14 o 251.021 4.1241  34264.54   1121.27  35141.89   1449.95  32959.35   1768.50  253.884 5.2729  245.388 6.6540  8.496094       8.489929  
1 1 1 -16 38  15 o 46.979  3.7785  1207.89    190.637  1403.76    273.425  1022.61    265.934  50.475  5.0699  42.850  5.8854  7.625187       7.768037  
1 1 1 -16 38  16 o 250.103 4.6005  34125.44   1246.22  34263.26   1772.55  33990.73   1752.47  249.665 6.5550  248.697 6.5059  0.9674835      9.235523  
1 1 1 -16 38  17 f 179.312 3.6642  17507.37   711.631  17295.60   1019.75  17708.40   993.560  177.700 5.2983  179.883 5.0996  -2.182709      7.353735  
1 1 1 -16 38  18 f 39.508  4.6069  864.760    193.435  872.743    298.445  858.977    254.013  39.072  7.3212  39.024  6.2184  0.4843140E-01  9.605680  
1 1 1 -16 38  19 o 74.304  2.7605  3002.12    222.163  3043.34    278.992  2930.70    367.275  74.728  3.4470  72.997  4.6698  1.731010       5.804166  
1 1 1 -16 38  20 o 101.213 3.1667  5581.83    347.141  5628.58    515.103  5542.94    469.873  101.265 4.6964  100.597 4.3125  0.6678391      6.376019  
1 1 1 -16 38  21 o 68.239  3.4707  2549.44    255.675  2436.38    393.935  2631.73    336.075  66.147  5.5498  69.078  4.5167  -2.931274      7.155483  
1 1 1 -16 38  22 o 24.123  6.9064  335.922    189.633  344.600    364.356  332.698    222.083  26.351  9.7011  24.236  7.6018  2.114672       12.32471  
1 1 1 -16 38  23 o 40.623  5.2822  931.441    226.909  1405.45    468.308  786.019    259.391  48.349  9.2803  36.792  6.7582  11.55628       11.48034  
1 1 1 -16 38  24 o 43.539  4.8525  1065.18    224.941  1212.05    487.130  1025.38    253.597  44.002  10.388  42.436  5.6584  1.565708       11.82896  
1 1 1 -16 38  25 o 92.162  2.9544  4651.40    294.910  4820.54    477.607  4547.18    374.922  92.892  4.7630  90.789  3.8127  2.102859       6.101103  
1 1 1 -16 38  26 o 66.287  3.7491  2442.46    268.064  3188.67    573.857  2234.18    303.175  73.257  7.3308  63.047  4.4687  10.20941       8.585474  
1 1 1 -16 38  27 o 54.908  5.0215  1737.29    295.327  1945.84    551.377  1653.39    349.723  54.013  9.7852  52.713  6.2470  1.300205       11.60926  
1 1 1 -16 38  28 o 26.946  9.2167  482.118    323.476  155.279    504.133  710.857    421.743  23.405  10.291  31.435  10.525  -8.030148      14.71987  
1 1 1 -16 38  29 o 38.164  8.5048  979.619    342.565  877.323    524.983  1055.47    452.071  32.948  11.709  37.443  10.644  -4.494293      15.82386  
1 1 1 -16 38  30 o 19.516  8.3875  129.907    319.336  213.585    500.830  72.581     414.531  22.953  10.167  20.331  9.1112  2.621723       13.65194  
1 1 1 -16 38  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 39  1  o 118.525 2.7823  7613.65    357.173  7144.69    404.999  9254.88    757.657  114.801 3.2571  130.544 5.3585  -15.74248      6.270805  
1 1 1 -16 39  2  o 94.700  2.8316  4860.54    290.443  5142.18    328.027  3838.41    624.898  97.398  3.1095  83.707  6.9555  13.69103       7.618947  
1 1 1 -16 39  3  f 147.859 3.3904  11853.00   542.970  11891.76   602.841  11686.46   1249.72  148.082 3.7586  146.240 7.9195  1.842133       8.766216  
1 1 1 -16 39  4  o 225.263 4.2384  27529.17   1034.09  26715.46   1190.58  30028.51   2086.60  221.836 4.9551  234.693 8.2086  -12.85620      9.588255  
1 1 1 -16 39  5  o 188.768 3.7875  19325.24   774.373  19662.53   891.312  18286.86   1563.88  190.366 4.3229  183.184 7.8821  7.181549       8.989716  
1 1 1 -16 39  6  o 108.208 2.7726  6346.15    324.953  6228.67    378.618  6674.70    633.174  107.185 3.2613  110.857 5.2734  -3.671761      6.200398  
1 1 1 -16 39  7  o 212.425 3.9737  24480.25   914.253  24147.94   1053.25  25495.93   1841.37  210.914 4.6106  216.233 7.8623  -5.318863      9.114437  
1 1 1 -16 39  8  o 100.887 2.9885  5517.86    326.554  5790.80    375.497  4670.80    661.503  103.337 3.3549  92.390  6.6551  10.94698       7.452869  
1 1 1 -16 39  9  o 132.862 3.6387  9575.94    523.627  10048.14   642.456  8641.58    903.730  136.048 4.3599  125.790 6.6569  10.25778       7.957565  
1 1 1 -16 39  10 o 267.216 5.6066  38841.97   1622.68  40697.38   1985.94  35115.12   2814.61  273.261 6.7100  252.747 10.282  20.51334       12.27742  
1 1 1 -16 39  11 o 173.751 3.6204  16383.49   681.314  16929.39   786.388  14740.36   1364.32  176.568 4.1120  164.206 7.6711  12.36165       8.703711  
1 1 1 -16 39  12 o 261.205 5.0913  37127.40   1440.40  37300.72   1555.80  36087.34   3811.22  261.712 5.4886  253.248 13.948  8.463257       14.98941  
1 1 1 -16 39  13 f 35.949  4.9000  716.332    185.817  742.684    213.909  635.305    375.093  36.496  5.5895  33.551  9.7446  2.944729       11.23384  
1 1 1 -16 39  14 o 136.213 2.9136  10069.92   429.851  10177.47   559.395  9914.85    671.699  136.837 3.7744  134.940 4.5958  1.896317       5.947059  
1 1 1 -16 39  15 o 177.103 3.6082  17054.22   692.128  17935.96   989.793  16210.54   968.199  181.279 5.0411  172.300 5.1881  8.979492       7.233906  
1 1 1 -16 39  16 o 168.425 3.5724  15433.71   651.674  15599.07   930.925  15274.81   912.563  168.922 5.0881  167.172 5.0400  1.750214       7.161734  
1 1 1 -16 39  17 o 161.735 3.5030  14239.14   613.644  13677.03   873.936  14785.78   861.837  158.055 5.1051  164.427 4.8393  -6.372070      7.034215  
1 1 1 -16 39  18 o 115.436 3.1568  7250.55    394.699  7224.94    573.349  7273.62    544.170  114.928 4.6060  115.376 4.3546  -0.4475098     6.338603  
1 1 1 -16 39  19 o 116.497 3.2226  7391.88    406.616  7375.46    602.274  7405.64    551.199  115.966 4.7951  116.325 4.3749  -0.3595047     6.490915  
1 1 1 -16 39  20 o 132.672 3.2663  9596.06    469.359  9434.81    682.523  9740.74    646.489  131.045 4.8087  133.279 4.4785  -2.234085      6.571157  
1 1 1 -16 39  21 o 41.959  4.6310  979.467    206.957  1121.48    328.808  886.296    266.329  44.209  7.1078  39.392  6.4666  4.816067       9.609306  
1 1 1 -16 39  22 o 76.279  3.7018  3187.72    305.839  3442.12    525.103  3057.11    376.242  78.211  6.2510  74.299  4.6996  3.911766       7.820583  
1 1 1 -16 39  23 f 45.815  1.9072  1140.76    94.639   1193.53    102.455  834.012    247.039  46.852  2.0190  38.097  6.2002  8.755264       6.520635  
1 1 1 -16 39  24 o 41.442  5.0588  969.541    222.355  853.780    480.767  1001.04    250.790  36.740  11.125  41.908  5.6708  -5.167862      12.48708  
1 1 1 -16 39  25 f 31.943  6.4724  601.516    216.262  1050.83    474.112  483.467    243.016  40.336  10.683  28.286  7.7176  12.04983       13.17896  
1 1 1 -16 39  26 o 28.723  7.0272  502.884    216.820  -18.0893   477.007  638.553    243.419  22.047  9.8345  32.386  7.1323  -10.33864      12.14853  
1 1 1 -16 39  27 o 18.646  7.6604  122.237    248.224  231.432    470.513  80.125     292.194  24.173  10.279  18.923  8.0747  5.250389       13.07134  
1 1 1 -16 39  28 o 19.692  8.3590  116.534    310.198  205.149    483.083  54.362     404.639  23.640  10.238  20.654  9.1438  2.985794       13.72666  
1 1 1 -16 39  29 o 40.399  8.2809  1087.34    350.173  548.273    538.567  1482.13    460.894  27.750  11.329  45.944  9.5725  -18.19418      14.83134  
1 1 1 -16 39  30 o 15.741  7.4853  -256.6874  348.302  -100.7262  488.357  -418.1540  496.902  19.799  9.2416  17.681  8.5453  2.118277       12.58690  
1 1 1 -16 39  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 40  1  o 187.857 5.2791  19164.81   1074.14  17918.20   1514.94  20425.06   1523.21  181.359 7.7124  193.695 7.2606  -12.33656      10.59228  
1 1 1 -16 40  2  f 268.704 4.9693  39197.69   1446.24  39154.50   1666.94  39329.19   2908.46  268.447 5.7331  268.147 10.014  0.3005981      11.53928  
1 1 1 -16 40  3  o 119.752 2.9845  7773.06    387.103  7764.23    440.979  7802.69    808.190  119.668 3.4023  119.636 6.2588  0.3133392E-01  7.123784  
1 1 1 -16 40  4  o 151.475 3.2292  12438.98   529.792  12527.37   607.074  12156.62   1085.06  151.988 3.6878  149.483 6.7018  2.504654       7.649425  
1 1 1 -16 40  5  o 189.057 3.7023  19384.39   758.108  19268.76   872.192  19741.70   1533.20  188.447 4.2732  190.376 7.4356  -1.929108      8.575997  
1 1 1 -16 40  6  o 193.617 4.0010  20337.44   839.032  20447.00   984.856  20047.44   1602.28  194.074 4.6853  191.771 7.7141  2.302780       9.025455  
1 1 1 -16 40  7  o 113.680 2.9518  7005.67    363.449  7054.83    416.368  6848.33    744.930  114.060 3.3703  112.037 6.1625  2.023552       7.023934  
1 1 1 -16 40  8  o 184.684 3.6493  18501.85   729.966  18371.33   841.370  18899.14   1467.93  183.980 4.2223  186.198 7.2788  -2.218567      8.414794  
1 1 1 -16 40  9  o 253.620 5.9446  35001.15   1632.97  34547.36   1826.89  36804.75   3642.12  251.809 6.6984  257.404 13.107  -5.595383      14.71956  
1 1 1 -16 40  10 o 267.987 5.5949  39076.13   1623.95  38937.38   1987.36  39354.93   2817.23  267.193 6.8672  267.677 9.7172  -0.4835815     11.89886  
1 1 1 -16 40  11 o 142.679 3.2934  11045.00   508.955  10358.02   587.596  13108.64   1018.40  138.117 3.9279  155.096 6.0625  -16.97893      7.223712  
1 1 1 -16 40  12 o 152.945 3.6029  12700.79   596.835  11947.65   664.644  15837.05   1356.31  148.279 4.1385  170.092 7.3622  -21.81235      8.445606  
1 1 1 -16 40  13 o 206.426 3.5931  23145.53   803.345  22022.78   1037.26  24828.49   1269.93  201.131 4.7614  213.374 5.4950  -12.24333      7.270926  
1 1 1 -16 40  14 o 80.228  3.0039  3494.33    261.024  3344.63    368.082  3645.77    370.216  78.264  4.3595  81.746  4.1955  -3.482018      6.050455  
1 1 1 -16 40  15 f 56.480  3.5698  1741.58    217.257  2280.34    330.095  1329.84    288.569  64.481  4.7602  49.008  5.5333  15.47261       7.299082  
1 1 1 -16 40  16 o 122.924 3.1650  8214.14    421.392  8585.15    608.389  7872.03    584.222  125.432 4.4782  120.107 4.4910  5.324989       6.342148  
1 1 1 -16 40  17 o 103.082 3.1206  5778.73    348.405  6084.38    502.679  5496.16    483.329  105.554 4.3969  100.312 4.4485  5.241821       6.254764  
1 1 1 -16 40  18 o 127.146 3.2120  8799.15    442.333  9032.58    636.743  8581.43    614.933  128.488 4.5754  125.249 4.5330  3.238083       6.440682  
1 1 1 -16 40  19 o 37.145  4.9454  770.398    194.020  599.270    298.544  895.520    255.279  32.038  8.4733  39.810  6.1161  -7.771538      10.45008  
1 1 1 -16 40  20 f 35.156  5.7195  699.828    210.296  813.769    325.334  618.050    275.619  37.275  8.2741  32.511  7.9039  4.763897       11.44257  
1 1 1 -16 40  21 o 44.596  4.4334  1103.12    211.304  1106.64    330.282  1100.68    274.933  43.854  7.2037  44.154  5.8963  -0.2995567     9.309093  
1 1 1 -16 40  22 o 58.766  3.7747  1901.04    238.989  1604.39    373.488  2106.72    310.993  53.050  6.6460  61.611  4.6958  -8.560989      8.137583  
1 1 1 -16 40  23 o 14.052  6.2586  -61.5943   192.411  -111.7923  416.803  -47.9997   216.906  20.435  9.1484  15.225  6.7198  5.209911       11.35117  
1 1 1 -16 40  24 o 63.543  3.7428  2228.62    256.455  2432.84    542.511  2169.85    291.024  64.384  7.9484  62.500  4.3257  1.883251       9.049269  
1 1 1 -16 40  25 o 36.053  5.8411  752.969    220.288  731.978    478.843  758.604    248.101  33.819  11.212  35.876  6.6291  -2.057583      13.02484  
1 1 1 -16 40  26 o 60.557  2.5792  2010.41    169.168  2212.16    550.919  1989.41    177.755  59.402  8.8316  60.197  2.7263  -0.7952652     9.242822  
1 1 1 -16 40  27 o 13.836  6.4731  -181.4085  241.863  -292.0499  461.220  -139.4425  284.052  18.650  8.7922  15.666  7.2203  2.984677       11.37698  
1 1 1 -16 40  28 o 11.448  2.9442  75.311     36.712   73.106     36.862   343.245    406.341  11.284  2.9740  24.613  9.9154  -13.32833      10.35180  
1 1 1 -16 40  29 o 58.793  6.1304  2101.34    384.637  2261.34    579.973  1975.71    513.916  56.616  9.8136  53.645  9.1745  2.970657       13.43424  
1 1 1 -16 40  30 o 22.909  9.7550  280.954    424.817  0.0000     0.0000   280.954    424.817  ?       ?       22.909  9.7550  0.000000       9.754951  
1 1 1 -16 41  1  o 119.084 4.3151  7694.56    556.568  8340.75    782.698  7033.60    791.591  123.885 5.8332  113.537 6.4639  10.34801       8.706778  
1 1 1 -16 41  2  o 176.280 3.5961  16851.12   686.604  16306.65   753.927  19497.79   1662.23  173.380 4.0148  189.103 8.1157  -15.72203      9.054409  
1 1 1 -16 41  3  o 115.226 2.8096  7196.16    350.649  6866.71    398.179  8334.28    740.075  112.541 3.2666  123.858 5.5167  -11.31683      6.411308  
1 1 1 -16 41  4  o 38.041  4.1560  794.432    168.450  891.659    190.716  449.466    359.240  40.291  4.4442  29.372  9.7098  10.91860       10.67852  
1 1 1 -16 41  5  o 293.422 5.5494  46785.17   1763.62  45939.62   1897.28  52159.99   4783.47  290.669 6.0265  306.836 14.393  -16.16690      15.60420  
1 1 1 -16 41  6  o 121.979 2.9904  8066.02    395.082  8297.23    453.091  7332.52    807.014  123.697 3.3819  115.903 6.4542  7.793777       7.286555  
1 1 1 -16 41  7  o 253.095 4.5099  34776.31   1236.28  33394.47   1425.46  38970.35   2483.38  247.897 5.3090  267.057 8.5856  -19.15930      10.09445  
1 1 1 -16 41  8  o 151.426 3.3960  12436.54   556.985  11795.67   620.557  15092.50   1263.30  147.439 3.8860  166.405 7.0092  -18.96609      8.014363  
1 1 1 -16 41  9  o 91.421  3.1124  4532.47    308.188  5313.73    414.774  3569.50    460.488  98.949  3.8702  80.853  5.2875  18.09595       6.552522  
1 1 1 -16 41  10 o 199.220 4.5162  21563.73   974.482  21717.89   1192.01  21253.10   1692.08  199.772 5.5090  197.114 7.9256  2.658768       9.652187  
1 1 1 -16 41  11 o 32.588  5.1764  592.021    176.597  846.962    208.516  -54.7762   332.127  39.138  5.0357  19.425  8.4507  19.71292       9.837336  
1 1 1 -16 41  12 o 12.426  2.4356  86.631     31.607   241.106    186.993  82.088     32.068   21.407  7.0019  12.078  2.5323  9.329364       7.445755  
1 1 1 -16 41  13 o 130.357 3.1508  9225.08    444.866  8877.89    622.959  9586.38    635.499  127.718 4.5034  132.729 4.4206  -5.010422      6.310454  
1 1 1 -16 41  14 o 147.706 3.3974  11855.01   543.529  11893.00   783.982  11819.86   754.214  147.674 4.9015  147.255 4.7288  0.4192047      6.810773  
1 1 1 -16 41  15 o 150.438 3.4407  12306.01   560.623  11735.32   813.099  12823.16   774.024  146.547 5.1227  153.307 4.6615  -6.759659      6.926103  
1 1 1 -16 41  16 o 131.619 3.2359  9420.37    461.295  9857.42    663.591  9011.68    641.699  134.365 4.5598  128.460 4.6121  5.905350       6.485568  
1 1 1 -16 41  17 o 50.767  3.9933  1414.11    217.801  1446.37    329.608  1389.10    290.179  50.916  6.0982  50.035  5.4423  0.8810577      8.173586  
1 1 1 -16 41  18 o 33.070  5.9945  620.740    206.806  757.255    298.973  495.493    286.369  36.173  7.8560  29.370  8.5099  6.802492       11.58168  
1 1 1 -16 41  19 o 50.192  2.4781  1369.21    134.717  1568.16    329.077  1329.16    147.657  52.985  5.8308  49.353  2.7735  3.631725       6.456801  
1 1 1 -16 41  20 o 37.141  5.2972  775.309    207.058  1058.93    311.574  550.985    277.096  43.054  6.9156  30.681  8.1866  12.37296       10.71666  
1 1 1 -16 41  21 f 126.272 3.3012  8707.37    451.488  9499.20    672.130  8056.31    609.460  131.315 4.7257  120.964 4.6518  10.35188       6.631109  
1 1 1 -16 41  22 o 66.644  3.5548  2439.13    255.668  2758.04    395.257  2209.71    335.247  70.331  5.2261  63.009  4.9523  7.322178       7.199831  
1 1 1 -16 41  23 o 27.665  1.9600  418.199    58.351   406.853    60.355   580.587    228.334  27.273  2.0584  31.418  6.8989  -4.145056      7.199422  
1 1 1 -16 41  24 o 15.499  6.6452  6.4756     199.596  92.887     435.238  -16.5366   224.606  23.198  9.8759  15.971  6.9488  7.227038       12.07557  
1 1 1 -16 41  25 o 35.615  6.1813  742.026    229.796  807.435    478.101  722.377    262.050  35.150  11.170  34.703  7.2074  0.4472237      13.29321  
1 1 1 -16 41  26 o 15.313  6.6747  -4.6061    208.061  -59.0235   457.786  9.5611     233.580  21.036  9.4882  16.382  7.1068  4.654251       11.85465  
1 1 1 -16 41  27 o 22.190  8.1192  283.303    254.654  287.203    482.286  281.795    299.863  24.959  10.499  22.675  8.7018  2.284142       13.63649  
1 1 1 -16 41  28 o 22.540  8.8444  280.724    315.037  143.674    481.748  383.122    416.416  22.787  10.038  25.253  10.085  -2.466280      14.22943  
1 1 1 -16 41  29 o 22.215  1.5138  270.390    36.208   272.437    36.344   -2.0946    419.342  22.300  1.5137  19.845  9.0037  2.454239       9.130042  
1 1 1 -16 41  30 o 19.651  8.9278  19.378     414.150  0.0000     0.0000   19.378     414.150  ?       ?       19.651  8.9278  0.000000       8.927811  
1 1 1 -16 42  1  o 258.729 6.6357  36426.56   1859.54  33695.95   2626.53  39170.76   2633.05  248.148 9.7724  267.738 9.0798  -19.59010      13.33953  
1 1 1 -16 42  2  o 205.258 3.9008  22854.06   867.206  22680.63   997.218  23392.14   1756.50  204.421 4.5039  207.140 7.8291  -2.718781      9.032223  
1 1 1 -16 42  3  o 91.715  2.7607  4559.17    274.235  4809.60    306.368  3549.70    615.104  94.193  3.0030  80.424  7.1356  13.76899       7.741717  
1 1 1 -16 42  4  o 105.939 2.7549  6083.15    316.104  5781.90    357.577  7160.54    676.231  103.268 3.1969  114.796 5.4387  -11.52867      6.308734  
1 1 1 -16 42  5  o 192.753 3.8802  20156.11   810.087  20636.03   932.405  18678.46   1636.08  194.984 4.4150  184.999 8.1652  9.985886       9.282417  
1 1 1 -16 42  6  o 183.548 3.7300  18275.52   741.534  18381.40   853.944  17950.90   1495.25  184.029 4.2842  181.428 7.6092  2.601074       8.732381  
1 1 1 -16 42  7  f 207.121 4.2910  23287.20   962.628  23036.96   1047.46  24647.04   2441.76  205.957 4.6956  211.526 10.692  -5.568970      11.67810  
1 1 1 -16 42  8  o 118.838 2.9699  7657.40    382.262  7135.82    439.348  9282.37    775.479  114.690 3.5368  130.649 5.4802  -15.95899      6.522382  
1 1 1 -16 42  9  o 241.991 5.1913  31843.68   1360.64  32158.91   1666.60  31213.58   2356.24  242.942 6.3337  238.566 9.1189  4.375916       11.10267  
1 1 1 -16 42  10 o 341.743 7.6767  63884.07   2841.46  63253.02   3146.65  66672.08   6614.00  339.642 8.5537  341.198 17.961  -1.555298      19.89343  
1 1 1 -16 42  11 o 133.083 3.1934  9610.64    460.303  9761.29    532.145  9162.96    917.339  134.079 3.6644  129.366 6.5685  4.712845       7.521481  
1 1 1 -16 42  12 o 97.992  2.6785  5208.66    284.282  5190.34    369.592  5235.19    444.862  97.765  3.4904  98.128  4.1857  -0.3626938     5.449985  
1 1 1 -16 42  13 o 164.964 3.4724  14784.05   620.428  13979.54   874.646  15598.83   880.215  160.132 5.0430  169.204 4.8029  -9.072510      6.964169  
1 1 1 -16 42  14 o 167.962 3.5154  15336.03   639.526  15638.80   910.946  15041.78   898.044  169.292 4.9680  166.023 4.9941  3.269470       7.044346  
1 1 1 -16 42  15 o 79.582  3.1643  3442.17    272.752  3706.28    400.914  3214.60    372.151  82.305  4.5146  76.636  4.5033  5.668762       6.376560  
1 1 1 -16 42  16 o 106.815 3.1058  6203.29    359.315  6495.15    520.637  5937.84    496.517  109.082 4.4067  104.299 4.3952  4.782562       6.223915  
1 1 1 -16 42  17 o 70.782  3.2852  2726.63    251.858  2550.99    369.266  2879.40    344.395  68.057  5.0454  72.465  4.4089  -4.407814      6.700342  
1 1 1 -16 42  18 o 118.065 3.2180  7590.20    411.505  7713.11    586.018  7470.64    577.977  118.692 4.5585  116.809 4.5684  1.883301       6.453679  
1 1 1 -16 42  19 o 149.596 3.4029  12203.48   551.360  12227.17   796.120  12181.65   764.334  149.178 4.9272  148.981 4.7368  0.1968689      6.834823  
1 1 1 -16 42  20 o 83.494  3.2262  3802.09    291.750  3742.60    437.169  3849.86    391.750  82.313  4.9262  83.671  4.3377  -1.358177      6.563740  
1 1 1 -16 42  21 o 52.372  4.1431  1514.60    233.094  1497.53    350.114  1528.19    312.392  51.390  6.4309  52.195  5.6142  -0.8046112     8.536707  
1 1 1 -16 42  22 o 39.199  5.2151  866.556    215.921  869.101    329.923  864.649    285.572  38.254  8.2086  38.543  7.1024  -0.2892342     10.85474  
1 1 1 -16 42  23 o 40.160  5.0581  909.869    215.133  928.451    458.677  904.629    243.589  38.482  10.646  39.791  5.8245  -1.309036      12.13484  
1 1 1 -16 42  24 o 29.468  6.1650  508.168    190.448  360.597    335.153  578.543    231.446  25.843  9.3359  31.216  7.0163  -5.372551      11.67850  
1 1 1 -16 42  25 o 18.956  7.2470  160.987    207.484  631.396    451.302  34.910     233.640  31.601  10.883  17.017  7.2399  14.58455       13.07147  
1 1 1 -16 42  26 o 91.059  3.3489  4594.03    330.290  5100.54    685.914  4441.13    376.858  92.443  6.9003  89.172  3.9019  3.270439       7.927122  
1 1 1 -16 42  27 o 89.660  4.9126  4617.77    475.253  4963.35    693.927  4312.47    652.227  90.138  7.1670  83.887  7.2498  6.250809       10.19436  
1 1 1 -16 42  28 o 36.158  8.5698  874.550    330.490  1000.66    494.306  772.602    444.430  36.028  11.348  32.179  10.804  3.848919       15.66849  
1 1 1 -16 42  29 f 63.039  5.7378  2388.48    387.481  2356.37    562.541  2417.46    534.496  58.459  9.1875  60.210  8.4269  -1.751152      12.46689  
1 1 1 -16 42  30 o 16.086  7.7558  -372.1718  403.346  0.0000     0.0000   -372.1718  403.346  ?       ?       16.086  7.7558  0.000000       7.755791  
1 1 1 -16 43  1  o 228.874 6.0762  28489.16   1506.27  27862.86   2127.49  29118.64   2132.89  225.843 8.6974  230.915 8.5280  -5.071838      12.18078  
1 1 1 -16 43  2  o 151.978 3.2583  12523.66   536.343  12501.25   613.906  12595.92   1102.35  151.813 3.7336  152.117 6.6907  -0.3043976     7.661932  
1 1 1 -16 43  3  o 126.719 3.0430  8705.38    417.651  8870.14    476.250  8156.72    869.078  127.893 3.4381  122.243 6.5882  5.649712       7.431376  
1 1 1 -16 43  4  o 63.366  2.8032  2176.52    192.394  2222.71    213.052  1972.40    447.878  64.029  3.0721  59.767  7.0548  4.262360       7.694651  
1 1 1 -16 43  5  o 137.060 3.0501  10184.89   452.785  9638.69    518.241  11946.69   930.752  133.305 3.5893  148.223 5.7976  -14.91734      6.818767  
1 1 1 -16 43  6  o 291.181 5.5340  46096.46   1745.32  47106.55   1878.01  39696.50   4727.22  294.278 5.8921  265.687 16.509  28.59091       17.52889  
1 1 1 -16 43  7  o 121.622 3.0691  8020.88    404.285  8255.61    464.455  7286.92    821.288  123.366 3.4760  115.471 6.5941  7.895012       7.454167  
1 1 1 -16 43  8  o 172.718 3.5368  16185.16   661.632  16069.44   762.548  16537.63   1330.83  172.045 4.0922  174.110 7.0572  -2.064255      8.157777  
1 1 1 -16 43  9  o 256.546 5.4173  35812.97   1505.30  37044.20   1843.58  33350.36   2607.31  260.639 6.5306  246.253 9.7756  14.38606       11.75630  
1 1 1 -16 43  10 o 43.173  2.1335  1010.23    99.764   1071.93    252.210  998.786    108.623  44.048  5.3996  42.859  2.3489  1.188446       5.888340  
1 1 1 -16 43  11 o 302.805 4.8320  49898.48   1584.74  50413.06   2047.23  49129.13   2503.23  303.875 6.2201  299.330 7.7211  4.545685       9.914943  
1 1 1 -16 43  12 o 102.170 2.9168  5664.64    322.772  5482.62    454.237  5850.29    458.735  100.408 4.1768  103.729 4.0831  -3.321693      5.841011  
1 1 1 -16 43  13 o 68.058  3.1272  2515.28    230.519  2444.68    314.709  2597.02    338.608  66.868  4.3693  68.900  4.5633  -2.031479      6.317795  
1 1 1 -16 43  14 o 124.471 3.1306  8417.21    422.053  8143.25    605.062  8676.83    589.008  122.207 4.5712  126.195 4.3093  -3.988052      6.282238  
1 1 1 -16 43  15 o 50.471  3.8043  1394.74    206.437  1582.17    318.638  1259.17    271.005  53.459  5.5855  47.678  5.3397  5.781757       7.727239  
1 1 1 -16 43  16 o 135.051 3.2858  9922.42    480.629  9922.16    703.776  9922.65    657.959  134.695 4.8240  134.782 4.5071  -0.8689880E-01 6.601913  
1 1 1 -16 43  17 o 88.766  3.2062  4288.06    308.257  4103.63    459.135  4439.42    415.941  86.415  4.9259  90.151  4.2598  -3.736458      6.512311  
1 1 1 -16 43  18 o 53.908  3.9191  1595.27    227.264  1885.79    323.218  1311.20    319.612  58.364  5.1665  48.312  6.2549  10.05177       8.112685  
1 1 1 -16 43  19 o 64.718  3.4570  2291.29    241.448  2533.84    361.838  2096.60    324.176  67.716  4.9682  61.581  4.9009  6.134701       6.978640  
1 1 1 -16 43  20 o 80.138  3.2208  3503.45    279.557  4085.33    424.019  3056.04    371.811  86.106  4.5628  74.418  4.6359  11.68773       6.504681  
1 1 1 -16 43  21 o 115.416 3.1660  7273.49    395.772  8415.72    584.931  6309.05    537.486  123.692 4.3661  106.991 4.6382  16.70113       6.369901  
1 1 1 -16 43  22 o 40.490  5.0288  921.810    215.791  1488.57    369.435  628.296    265.860  50.911  6.8756  32.565  7.6649  18.34563       10.29686  
1 1 1 -16 43  23 o 16.249  6.6625  62.334     187.296  462.167    426.467  -33.2139   208.477  29.016  10.524  15.138  6.6377  13.87773       12.44215  
1 1 1 -16 43  24 o 59.210  3.7847  1940.09    241.446  1733.42    521.028  1996.60    272.467  53.161  9.3924  59.913  4.2259  -6.751511      10.29929  
1 1 1 -16 43  25 o 69.383  2.7071  2638.02    203.432  2703.16    268.919  2550.89    311.050  69.848  3.5666  67.514  4.2758  2.333389       5.567978  
1 1 1 -16 43  26 o 15.720  6.7723  20.252     209.166  90.333     438.859  -0.3462    237.929  22.121  9.6667  16.263  7.1119  5.858248       12.00098  
1 1 1 -16 43  27 o 47.593  6.8185  1382.69    341.434  1406.80    494.664  1360.74    471.863  44.822  10.392  44.405  10.046  0.4171944      14.45370  
1 1 1 -16 43  28 o 38.621  8.1060  977.049    328.274  1025.90    477.371  933.220    452.155  36.683  11.081  35.211  10.815  1.471848       15.48356  
1 1 1 -16 43  29 o 29.116  9.1631  606.043    322.376  933.083    475.549  327.953    438.518  34.024  11.168  23.983  10.046  10.04108       15.02143  
1 1 1 -16 43  30 f 55.502  9.0743  2156.62    526.638  0.0000     0.0000   2156.62    526.638  ?       ?       55.502  9.0743  0.000000       9.074326  
1 1 1 -16 44  1  o 319.986 7.9604  55873.46   2758.91  61132.56   3902.08  50616.46   3901.30  333.647 10.798  303.155 11.882  30.49274       16.05511  
1 1 1 -16 44  2  o 31.401  0.9094  534.020    30.928   533.841    31.073   553.145    320.611  31.395  0.9138  31.430  8.9739  -0.3464508E-01 9.020277  
1 1 1 -16 44  3  o 355.621 6.7360  68866.01   2594.55  70293.48   2780.71  59262.72   7212.40  359.163 7.1481  321.874 20.799  37.28912       21.99352  
1 1 1 -16 44  4  o 320.863 5.5812  55970.88   1939.63  55769.68   2237.01  56580.31   3893.29  320.078 6.4527  320.732 11.207  -0.6539612     12.93223  
1 1 1 -16 44  5  o 123.880 3.0317  8320.63    406.776  8118.90    461.151  9027.93    863.490  122.346 3.4800  128.796 6.1899  -6.449959      7.101119  
1 1 1 -16 44  6  o 367.470 6.2215  73512.99   2476.20  71126.66   2857.18  80714.15   4963.32  361.099 7.3053  382.345 11.985  -21.24579      14.03618  
1 1 1 -16 44  7  o 117.318 2.8663  7462.57    364.220  6607.41    416.431  10245.84   751.272  110.360 3.4839  137.293 5.0522  -26.93305      6.136909  
1 1 1 -16 44  8  o 148.818 3.3205  12014.50   535.214  12407.60   616.415  10810.36   1078.86  151.195 3.7641  140.551 7.1101  10.64462       8.044990  
1 1 1 -16 44  9  f 75.898  3.4991  3126.33    287.647  3318.20    357.012  2771.32    485.629  78.039  4.2397  71.002  6.3831  7.037148       7.662777  
1 1 1 -16 44  10 o 152.955 3.8653  12707.14   640.354  12713.78   782.096  12693.65   1115.36  152.884 4.7231  152.413 6.7565  0.4709778      8.243674  
1 1 1 -16 44  11 o 166.141 3.1248  14980.98   562.308  14611.27   728.180  15527.09   885.011  163.950 4.1007  168.886 4.8382  -4.936234      6.342245  
1 1 1 -16 44  12 o 166.122 3.5034  14992.19   630.364  14650.62   893.347  15330.90   889.604  163.945 5.0310  167.736 4.8966  -3.791672      7.020535  
1 1 1 -16 44  13 o 228.278 4.3026  28376.33   1063.82  27629.30   1506.88  29118.58   1502.06  224.594 6.1946  230.643 6.0128  -6.048935      8.632854  
1 1 1 -16 44  14 o 103.666 3.0555  5838.60    343.075  5767.54    494.762  5904.41    476.138  102.850 4.4414  104.096 4.2230  -1.246964      6.128663  
1 1 1 -16 44  15 f 110.009 3.0415  6577.58    362.397  6700.88    526.994  6466.96    499.151  110.819 4.3906  108.897 4.2320  1.922546       6.098115  
1 1 1 -16 44  16 o 115.439 3.1511  7247.96    393.994  7594.69    568.328  6927.13    546.684  117.916 4.4500  112.608 4.4823  5.308418       6.316087  
1 1 1 -16 44  17 o 89.366  3.1474  4346.21    304.643  4449.82    447.173  4256.47    416.157  90.063  4.5995  88.243  4.3542  1.820091       6.333593  
1 1 1 -16 44  18 o 28.769  6.1038  474.271    184.304  816.864    274.430  192.796    248.750  37.767  6.9655  21.204  7.9747  16.56271       10.58839  
1 1 1 -16 44  19 o 78.924  2.7750  3389.86    237.216  3597.90    424.428  3295.35    286.067  80.761  4.8750  77.722  3.3982  3.038986       5.942514  
1 1 1 -16 44  20 o 75.146  3.2805  3082.15    267.003  2802.68    405.324  3296.39    354.881  71.025  5.3073  77.397  4.2497  -6.371666      6.799031  
1 1 1 -16 44  21 o 50.316  2.5514  1382.10    138.588  1229.89    157.810  1895.20    289.751  47.365  3.0931  58.459  4.6137  -11.09431      5.554573  
1 1 1 -16 44  22 o 37.921  5.2074  812.875    208.234  962.562    354.766  734.198    257.201  40.148  8.4269  35.453  6.9464  4.694904       10.92091  
1 1 1 -16 44  23 f 52.816  2.3600  1519.83    135.004  1187.78    476.162  1548.85    140.781  43.661  10.245  53.307  2.4383  -9.645992      10.53144  
1 1 1 -16 44  24 o 15.951  2.1312  141.024    35.899   136.419    36.387   309.405    220.013  15.671  2.2047  23.235  7.5948  -7.564226      7.908326  
1 1 1 -16 44  25 o 13.706  6.2331  -96.1804   202.517  72.438     400.129  -154.2506  234.814  21.615  9.3392  14.118  6.5271  7.497046       11.39401  
1 1 1 -16 44  26 o 15.299  3.4022  134.874    54.918   112.617    55.767   849.084    315.912  13.961  3.6478  36.413  8.2065  -22.45273      8.980718  
1 1 1 -16 44  27 o 18.943  8.1489  74.400     301.957  432.859    432.341  -266.9746  421.913  26.462  10.367  17.905  8.4312  8.557724       13.36294  
1 1 1 -16 44  28 o 20.574  8.4467  189.876    301.539  36.082     438.468  327.881    415.351  20.799  9.3421  24.206  9.9228  -3.407475      13.62852  
1 1 1 -16 44  29 o 48.527  6.8710  1484.99    351.045  1174.34    509.877  1764.95    484.037  37.971  11.448  50.319  9.2211  -12.34784      14.69971  
1 1 1 -16 44  30 o 39.021  10.861  1212.03    475.900  0.0000     0.0000   1212.03    475.900  ?       ?       39.021  10.861  0.000000       10.86118  
1 1 1 -16 45  1  o 188.720 5.3450  19357.87   1092.55  20579.61   1543.32  18130.51   1546.87  194.273 7.3346  182.259 7.8360  12.01379       10.73307  
1 1 1 -16 45  2  o 82.972  2.4444  3731.07    219.676  3683.25    240.850  3967.72    535.794  82.432  2.6976  85.213  5.8405  -2.780869      6.433438  
1 1 1 -16 45  3  f 484.780 8.0189  128326.80  4210.44  123975.00  4859.14  141439.59  8434.70  475.740 9.4302  503.338 15.472  -27.59827      18.11916  
1 1 1 -16 45  4  o 103.302 2.8427  5785.23    318.057  5803.32    360.151  5721.11    677.944  103.448 3.2144  102.346 6.1442  1.101929       6.934245  
1 1 1 -16 45  5  o 174.460 3.5562  16511.60   671.974  16559.14   772.487  16363.76   1362.32  174.663 4.0834  173.201 7.2620  1.461670       8.331313  
1 1 1 -16 45  6  o 197.899 3.8901  21255.86   833.827  22224.02   961.037  18307.74   1677.03  202.295 4.3862  182.915 8.4649  19.37993       9.533749  
1 1 1 -16 45  7  o 125.756 3.0521  8576.79    415.713  7990.39    476.925  10431.49   848.179  121.344 3.6288  138.445 5.6564  -17.10006      6.720352  
1 1 1 -16 45  8  o 107.908 2.9511  6315.24    344.917  6190.64    396.915  6699.54    697.053  106.811 3.4309  110.755 5.8313  -3.944382      6.765738  
1 1 1 -16 45  9  f 185.421 4.3349  18685.25   870.578  18864.15   1068.35  18331.66   1501.95  186.144 5.2990  182.994 7.5779  3.150238       9.246864  
1 1 1 -16 45  10 f 121.675 3.5085  8038.46    462.377  7841.11    563.751  8444.07    808.203  120.090 4.3342  124.397 5.9985  -4.306595      7.400481  
1 1 1 -16 45  11 f 139.110 3.1838  10505.27   479.711  10048.73   676.667  10966.56   680.174  135.876 4.5979  141.972 4.4233  -6.096329      6.380188  
1 1 1 -16 45  12 o 79.326  2.9241  3415.78    251.230  3217.01    348.795  3630.08    362.167  76.772  4.2107  81.580  4.1120  -4.807991      5.885474  
1 1 1 -16 45  13 o 93.173  2.9509  4714.38    297.796  4865.37    429.797  4574.97    412.998  94.520  4.1983  91.660  4.1600  2.859619       5.910261  
1 1 1 -16 45  14 o 136.561 3.2490  10137.86   480.566  9358.96    693.064  10859.14   666.935  130.897 4.8885  141.121 4.3634  -10.22383      6.552552  
1 1 1 -16 45  15 o 202.472 3.9452  22341.45   865.181  23263.49   1235.59  21454.49   1211.86  205.980 5.5383  197.757 5.6578  8.223846       7.917327  
1 1 1 -16 45  16 o 36.131  4.9470  727.580    188.509  998.045    290.472  530.784    247.774  42.044  6.5957  30.335  7.5665  11.70927       10.03769  
1 1 1 -16 45  17 f 38.191  4.8147  811.474    194.735  479.254    302.151  1047.52    254.686  29.028  8.8263  43.300  5.5590  -14.27183      10.43100  
1 1 1 -16 45  18 o 91.928  3.1361  4602.68    312.259  4790.57    454.319  4434.46    429.894  93.509  4.4858  89.983  4.4109  3.525429       6.291153  
1 1 1 -16 45  19 o 41.017  1.8289  913.081    81.250   622.851    295.154  936.878    84.515   32.574  8.3323  41.545  1.8782  -8.971588      8.541368  
1 1 1 -16 45  20 o 50.711  3.9555  1417.31    215.540  1839.09    330.546  1105.30    284.294  57.416  5.3779  44.180  6.1043  13.23669       8.135390  
1 1 1 -16 45  21 o 50.815  3.9782  1425.88    217.201  1312.62    340.966  1503.22    281.768  47.876  6.7637  51.876  5.0800  -3.999550      8.458994  
1 1 1 -16 45  22 o 34.500  5.6393  680.581    203.441  895.890    341.155  561.761    253.434  38.685  8.3842  30.741  7.6440  7.944019       11.34568  
1 1 1 -16 45  23 o 23.355  7.6508  308.045    223.226  167.230    400.002  371.734    269.013  23.581  9.7104  25.490  8.4013  -1.909098      12.84027  
1 1 1 -16 45  24 o 56.482  3.8743  1770.83    235.581  1998.44    483.248  1699.88    269.813  57.929  7.9087  55.075  4.5643  2.854080       9.131233  
1 1 1 -16 45  25 o 13.453  2.2007  101.388    30.959   -180.5365  411.601  102.992    31.047   18.923  8.7104  13.564  2.1876  5.358246       8.980911  
1 1 1 -16 45  26 o 51.735  5.0955  1546.64    281.818  1742.29    489.405  1449.58    344.704  51.726  9.0660  49.018  6.6655  2.707863       11.25265  
1 1 1 -16 45  27 o 35.936  9.1282  874.836    355.982  631.530    463.762  1223.81    555.413  29.819  10.950  39.757  11.940  -9.937265      16.20033  
1 1 1 -16 45  28 o 24.677  9.0385  395.930    315.704  668.170    452.374  137.446    440.797  29.855  10.837  21.916  9.6297  7.938110       14.49727  
1 1 1 -16 45  29 o 22.923  2.0780  290.878    51.032   286.314    51.366   638.643    448.409  22.734  2.1101  28.724  10.726  -5.990154      10.93141  
1 1 1 -16 45  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 46  1  o 318.276 7.9398  55329.28   2737.05  55236.28   3869.39  55422.41   3872.17  316.639 11.283  317.178 11.271  -0.5383301     15.94810  
1 1 1 -16 46  2  o 55.388  2.5463  1662.83    152.751  1551.97    165.171  2317.92    401.507  53.427  2.8648  65.025  5.7605  -11.59798      6.433575  
1 1 1 -16 46  3  o 217.889 3.8233  25762.26   902.288  23987.28   1037.17  31286.14   1829.68  210.160 4.5565  239.538 7.0523  -29.37758      8.396234  
1 1 1 -16 46  4  o 42.876  1.6943  995.954    78.680   1008.96    80.610   734.044    361.763  43.154  1.7246  35.927  9.2435  7.227734       9.403010  
1 1 1 -16 46  5  o 76.723  2.8342  3191.59    235.519  3228.27    265.298  3055.15    511.638  77.151  3.1748  74.617  6.3925  2.534592       7.137476  
1 1 1 -16 46  6  o 149.051 3.3191  12051.78   535.828  12292.85   615.948  11301.75   1086.46  150.496 3.7788  143.920 6.9699  6.576401       7.928306  
1 1 1 -16 46  7  f 32.402  4.2593  580.027    145.857  672.065    163.644  224.358    321.690  34.894  4.4297  23.874  9.0482  11.01993       10.07437  
1 1 1 -16 46  8  o 160.159 3.4315  13921.32   595.262  13739.62   685.984  14475.23   1197.71  159.051 3.9821  162.803 6.7923  -3.752029      7.873513  
1 1 1 -16 46  9  o 185.116 4.3059  18627.67   863.331  19261.94   1058.16  17364.81   1493.09  188.081 5.1944  177.986 7.7451  10.09410       9.325719  
1 1 1 -16 46  10 o 58.128  3.5916  1842.07    225.014  1928.52    270.249  1646.68    406.276  59.407  4.2276  54.398  7.0621  5.008839       8.230818  
1 1 1 -16 46  11 o 172.046 3.6863  16085.78   686.915  15634.65   925.320  16639.60   1025.23  169.359 5.0444  174.630 5.4205  -5.270462      7.404572  
1 1 1 -16 46  12 o 217.292 4.1314  25697.60   972.334  25222.77   1381.26  26164.04   1369.00  214.707 5.9396  218.736 5.7785  -4.029404      8.286729  
1 1 1 -16 46  13 o 48.882  3.6413  1306.85    191.404  1497.43    279.037  1137.49    263.043  52.132  5.0033  45.284  5.4742  6.847717       7.416177  
1 1 1 -16 46  14 o 72.014  3.1338  2818.88    244.431  3067.13    355.860  2597.13    336.323  74.856  4.4086  68.838  4.5362  6.017365       6.325635  
1 1 1 -16 46  15 f 92.762  3.0511  4678.17    306.547  4467.03    447.952  4864.13    420.404  90.309  4.5948  94.439  4.1100  -4.129646      6.164773  
1 1 1 -16 46  16 o 64.848  3.3104  2294.98    231.741  2546.74    350.568  2099.58    308.845  68.048  4.7870  61.783  4.6494  6.265163       6.673221  
1 1 1 -16 46  17 o 57.945  3.7284  1839.36    232.756  2095.79    336.840  1605.03    321.994  61.578  5.0962  53.708  5.6184  7.869625       7.585352  
1 1 1 -16 46  18 o 101.818 3.1179  5646.80    343.838  5944.98    497.898  5374.95    475.403  104.171 4.4129  99.046  4.4315  5.124840       6.253983  
1 1 1 -16 46  19 o 47.971  1.9295  1249.38    100.253  1148.72    319.864  1260.35    105.572  44.901  6.7891  48.175  2.0233  -3.273537      7.084168  
1 1 1 -16 46  20 o 82.251  3.2934  3694.91    293.401  3530.58    422.928  3847.38    407.373  79.848  4.9142  83.504  4.5210  -3.656685      6.677448  
1 1 1 -16 46  21 o 42.166  4.7405  993.688    212.745  723.508    322.210  1202.51    283.272  34.770  8.6029  46.107  5.8008  -11.33661      10.37589  
1 1 1 -16 46  22 o 23.589  7.2378  320.262    202.583  491.489    323.983  210.334    259.592  28.891  9.1963  21.534  8.1361  7.356800       12.27878  
1 1 1 -16 46  23 o 46.627  4.7111  1218.84    234.658  1280.79    370.415  1177.31    303.276  46.617  7.5980  45.197  6.3721  1.420277       9.916290  
1 1 1 -16 46  24 o 28.089  2.2593  433.132    68.153   399.384    71.259   795.109    233.377  26.928  2.4708  36.952  6.0398  -10.02402      6.525664  
1 1 1 -16 46  25 o 19.212  7.1057  188.335    195.877  144.341    411.636  201.212    222.708  22.574  9.6072  20.035  7.5436  2.539305       12.21495  
1 1 1 -16 46  26 o 29.475  7.8084  554.665    253.259  489.667    442.114  586.411    308.977  27.763  10.587  29.807  8.8947  -2.044020      13.82754  
1 1 1 -16 46  27 o 21.787  8.7229  236.683    312.361  236.056    433.743  237.359    450.207  23.422  9.9100  23.644  10.054  -0.2226906     14.11743  
1 1 1 -16 46  28 o 29.393  9.2125  607.692    326.239  559.586    456.039  658.115    466.897  27.895  10.725  29.533  10.961  -1.637730      15.33532  
1 1 1 -16 46  29 o 18.508  8.1094  69.034     310.677  -60.6561   446.705  190.535    432.372  19.551  9.0264  21.995  9.6037  -2.443705      13.17981  
1 1 1 -16 47  1  o 101.096 3.8960  5547.13    426.603  5445.86    641.283  5627.53    571.368  99.847  5.9570  101.606 5.2094  -1.759361      7.913542  
1 1 1 -16 47  2  o 105.281 2.8632  6009.78    326.487  6166.67    369.891  5456.48    694.635  106.630 3.2027  99.870  6.4563  6.760384       7.207007  
1 1 1 -16 47  3  o 123.787 2.8475  8308.19    381.768  7959.08    434.475  9490.91    799.694  121.132 3.3116  132.079 5.5901  -10.94693      6.497353  
1 1 1 -16 47  4  o 247.476 4.6647  33276.31   1250.33  33173.66   1440.51  33589.89   2517.75  246.959 5.3854  247.399 9.3960  -0.4406738     10.82996  
1 1 1 -16 47  5  o 129.415 3.0931  9083.79    433.559  9092.41    495.724  9055.76    894.214  129.447 3.5357  128.897 6.4051  0.5501099      7.316234  
1 1 1 -16 47  6  o 134.851 3.3033  9866.05    482.476  9941.80    545.927  9595.80    1031.12  135.335 3.7244  132.344 7.2207  2.990219       8.124643  
1 1 1 -16 47  7  o 16.912  1.3297  155.892    24.159   136.513    129.270  156.593    24.592   16.744  5.8215  16.948  1.3509  -0.2037411     5.976147  
1 1 1 -16 47  8  o 25.085  1.8000  342.742    48.580   497.362    169.821  328.961    50.699   29.755  5.4710  24.562  1.9210  5.192892       5.798412  
1 1 1 -16 47  9  f 62.717  3.7348  2144.14    252.555  1805.90    313.725  2766.96    425.716  57.362  5.1029  71.025  5.5789  -13.66349      7.560614  
1 1 1 -16 47  10 o 120.797 3.4781  7925.45    455.063  7990.25    554.556  7791.88    796.235  121.205 4.2243  119.241 6.1864  1.963860       7.491094  
1 1 1 -16 47  11 o 84.997  2.6766  3920.20    246.413  4026.08    386.230  3847.51    320.000  86.019  4.1456  84.146  3.5111  1.873039       5.432653  
1 1 1 -16 47  12 o 17.061  6.2210  130.002    149.315  164.388    209.190  94.288     213.193  19.689  7.3310  18.127  7.2235  1.561609       10.29193  
1 1 1 -16 47  13 o 47.512  3.8175  1236.55    194.792  1317.01    295.699  1174.87    258.908  48.714  5.7128  46.059  5.2857  2.655369       7.782976  
1 1 1 -16 47  14 o 88.641  3.0048  4270.26    288.487  4251.21    426.647  4286.31    391.569  88.141  4.4839  88.676  4.0769  -0.5350113     6.060256  
1 1 1 -16 47  15 o 88.388  3.0825  4248.25    295.100  4039.68    450.546  4404.96    390.528  85.796  4.8685  89.877  4.0118  -4.080559      6.308451  
1 1 1 -16 47  16 o 93.093  3.1259  4715.70    315.181  4779.64    474.672  4665.28    421.515  93.326  4.7112  92.415  4.2111  0.9103394      6.318909  
1 1 1 -16 47  17 o 146.913 3.3801  11762.63   537.853  11349.56   776.362  12143.86   745.833  143.779 4.9854  148.866 4.6257  -5.086929      6.800796  
1 1 1 -16 47  18 o 73.144  3.2396  2916.04    256.645  2554.05    374.619  3236.20    352.310  67.942  5.1286  76.762  4.2541  -8.820374      6.663310  
1 1 1 -16 47  19 o 39.090  2.1065  832.500    88.858   868.897    300.021  829.001    93.032   38.725  7.4232  38.996  2.2117  -0.2707443     7.745643  
1 1 1 -16 47  20 o 63.924  2.5741  2224.83    178.221  2273.49    212.279  2108.63    328.054  64.551  3.0362  61.599  4.9590  2.952309       5.814703  
1 1 1 -16 47  21 o 64.290  2.6746  2253.15    186.238  2106.36    225.579  2567.40    330.060  61.951  3.3746  68.078  4.5016  -6.127071      5.626054  
1 1 1 -16 47  22 o 51.801  4.1036  1487.31    228.352  1499.27    371.552  1480.05    289.475  50.976  6.9074  51.291  5.2865  -0.3148193     8.698197  
1 1 1 -16 47  23 o 62.366  3.9098  2153.27    262.767  2029.18    408.230  2241.06    343.352  59.442  6.4440  63.173  5.0606  -3.731472      8.193566  
1 1 1 -16 47  24 o 13.233  6.0005  -86.9577   185.936  -106.7818  388.147  -81.0537   211.822  19.326  8.7251  14.336  6.4612  4.990638       10.85696  
1 1 1 -16 47  25 o 24.954  7.2537  384.205    207.763  462.578    420.881  358.954    238.900  27.523  10.369  24.236  7.9137  3.286442       13.04376  
1 1 1 -16 47  26 o 26.258  9.0915  440.622    315.135  552.684    436.618  318.761    455.306  28.779  10.616  25.161  10.360  3.618071       14.83345  
1 1 1 -16 47  27 o 25.691  9.1117  429.320    317.763  421.707    441.664  437.490    457.526  26.145  10.404  26.484  10.573  -0.3388119     14.83352  
1 1 1 -16 47  28 o 27.086  1.5338  401.383    44.813   403.336    45.030   200.229    457.003  27.152  1.5375  22.765  9.9084  4.386347       10.02693  
1 1 1 -16 47  29 o 18.123  8.0429  33.773     314.920  423.483    440.627  -373.1579  450.258  25.222  10.266  17.158  8.2527  8.064344       13.17188  
1 1 1 -16 48  1  o 251.975 6.5499  34614.48   1787.57  34171.02   2526.22  35059.20   2529.79  249.495 9.3484  252.756 9.2409  -3.260635      13.14481  
1 1 1 -16 48  2  f 154.355 3.6622  12929.68   612.255  12931.60   713.866  12924.32   1190.66  154.308 4.2713  153.872 7.1443  0.4359589      8.323741  
1 1 1 -16 48  3  o 120.619 2.9781  7890.04    389.066  7983.75    443.169  7574.96    812.571  121.309 3.3729  117.717 6.3971  3.591682       7.231863  
1 1 1 -16 48  4  o 168.349 3.4661  15378.51   632.010  15395.15   725.158  15325.90   1289.00  168.389 3.9760  167.538 7.1035  0.8509064      8.140538  
1 1 1 -16 48  5  o 88.266  2.5915  4223.99    247.747  4265.60    299.966  4134.71    439.430  88.676  3.1232  87.091  4.6756  1.585182       5.622740  
1 1 1 -16 48  6  o 102.000 2.8020  5642.38    309.552  5523.44    353.441  6034.06    641.379  100.896 3.2343  105.101 5.6550  -4.205894      6.514603  
1 1 1 -16 48  7  o 69.632  2.8649  2629.99    216.067  2566.73    245.592  2846.66    454.516  68.772  3.2971  72.024  5.8777  -3.252228      6.739295  
1 1 1 -16 48  8  o 205.424 3.9863  22929.85   886.934  22986.20   1022.48  22758.59   1782.57  205.563 4.5924  203.594 8.0837  1.968781       9.297153  
1 1 1 -16 48  9  o 167.136 3.6410  15174.72   659.118  14933.22   898.236  15456.47   970.184  165.573 5.0088  168.386 5.3196  -2.813110      7.306556  
1 1 1 -16 48  10 o 58.735  3.0516  1877.80    193.462  2152.92    268.023  1578.54    279.533  62.799  3.9608  53.607  4.8675  9.192474       6.275335  
1 1 1 -16 48  11 o 101.859 2.9096  5632.71    321.001  5673.85    465.255  5595.33    443.457  102.092 4.2075  101.404 4.0376  0.6882248      5.831433  
1 1 1 -16 48  12 o 63.480  3.3331  2196.28    228.368  2443.94    327.871  1962.92    318.265  66.796  4.5592  59.760  4.9619  7.035156       6.738464  
1 1 1 -16 48  13 o 96.385  2.9683  5047.42    309.876  5141.42    446.448  4960.03    430.453  97.115  4.2444  95.398  4.1660  1.716927       5.947294  
1 1 1 -16 48  14 o 95.007  2.9602  4905.71    304.611  5355.46    441.660  4497.68    420.675  99.103  4.1146  90.795  4.2777  8.307884       5.935433  
1 1 1 -16 48  15 o 17.190  6.3070  131.405    153.816  179.028    232.961  94.599     204.805  20.577  7.7217  17.804  7.0847  2.773367       10.47936  
1 1 1 -16 48  16 o 35.260  4.8084  693.362    178.848  762.121    274.016  642.331    236.063  36.438  7.1985  33.485  6.7421  2.952568       9.862778  
1 1 1 -16 48  17 o 97.309  3.0918  5155.81    325.863  5327.11    478.348  5007.49    445.123  98.620  4.4782  95.659  4.2962  2.961365       6.205796  
1 1 1 -16 48  18 o 104.833 3.1869  5989.95    361.855  6212.10    516.116  5775.17    507.474  106.428 4.4774  102.590 4.5671  3.837143       6.395690  
1 1 1 -16 48  19 o 27.310  1.8927  406.887    55.640   830.886    298.189  391.593    56.634   37.788  7.5498  26.781  1.9662  11.00668       7.801637  
1 1 1 -16 48  20 o 55.162  3.8057  1675.38    225.987  1590.26    337.532  1744.53    304.242  53.101  5.9723  55.944  5.0763  -2.842670      7.838215  
1 1 1 -16 48  21 o 13.643  6.0725  -58.4621   180.814  268.020    277.249  -300.1001  238.519  23.220  8.4754  12.845  6.1321  10.37457       10.46110  
1 1 1 -16 48  22 o 29.099  6.4502  495.772    197.954  951.732    333.716  248.235    245.885  40.004  7.9817  22.138  7.9967  17.86659       11.29841  
1 1 1 -16 48  23 o 26.180  7.3555  408.676    217.201  370.838    357.858  430.744    273.296  26.255  9.6220  26.904  8.4319  -0.6487083     12.79377  
1 1 1 -16 48  24 o 17.625  6.6556  142.911    173.655  -53.6075   282.583  262.157    220.124  17.048  7.5895  21.719  7.5940  -4.671288      10.73632  
1 1 1 -16 48  25 o 48.081  5.1540  1334.62    264.219  1048.20    468.309  1468.36    320.017  38.690  10.776  49.899  6.0445  -11.20872      12.35552  
1 1 1 -16 48  26 o 26.633  9.0955  459.131    315.023  571.425    435.302  335.650    456.472  29.048  10.617  25.356  10.399  3.692579       14.86173  
1 1 1 -16 48  27 o 43.335  7.5931  1193.19    343.402  1093.66    476.772  1300.48    495.031  38.281  10.948  42.104  10.802  -3.823036      15.37983  
1 1 1 -16 48  28 o 40.416  8.1719  1085.47    345.428  448.626    481.323  1761.81    496.026  26.126  10.693  50.275  9.4564  -24.14843      14.27429  
1 1 1 -16 48  29 o 16.523  7.5932  -89.9419   311.025  10.190     433.138  -196.5356  446.897  20.038  9.1139  18.411  8.6717  1.627213       12.58026  
1 1 1 -16 49  1  f 147.160 4.9031  11775.76   781.498  12258.80   1034.85  11134.66   1192.19  149.939 6.3723  142.460 7.7557  7.478622       10.03774  
1 1 1 -16 49  2  o 80.575  2.9833  3521.23    260.354  3300.43    305.490  4107.24    497.681  77.980  3.6169  86.718  5.3245  -8.737831      6.436809  
1 1 1 -16 49  3  o 209.447 3.9905  23821.88   905.256  24026.09   1041.73  23192.07   1829.44  210.252 4.5745  205.753 8.2092  4.499512       9.397737  
1 1 1 -16 49  4  o 206.871 3.9677  23240.88   889.017  23716.16   1022.93  21773.71   1797.25  208.889 4.5213  199.292 8.3262  9.596695       9.474564  
1 1 1 -16 49  5  o 28.268  4.1263  443.191    122.615  411.564    132.334  635.089    325.968  27.133  4.6716  33.413  8.8621  -6.280128      10.01804  
1 1 1 -16 49  6  o 133.130 3.0784  9616.17    443.883  9357.95    508.807  10438.75   908.120  131.288 3.5781  138.339 6.0608  -7.050552      7.038214  
1 1 1 -16 49  7  o 119.885 2.9195  7797.35    379.091  7231.00    434.974  9586.45    773.104  115.406 3.4799  132.645 5.3812  -17.23969      6.408309  
1 1 1 -16 49  8  f 83.789  2.8391  3808.98    257.653  3703.58    294.474  4153.17    532.128  82.595  3.2917  87.074  5.6733  -4.478249      6.559108  
1 1 1 -16 49  9  o 214.524 5.1511  25089.09   1196.86  23770.60   1914.83  25934.49   1533.29  207.620 8.5151  217.679 6.5034  -10.05939      10.71452  
1 1 1 -16 49  10 o 140.898 3.2483  10782.74   495.719  10958.87   702.650  10608.20   699.465  141.839 4.5738  139.541 4.6280  2.297470       6.506746  
1 1 1 -16 49  11 o 90.894  2.9269  4486.16    288.143  4769.74    411.045  4212.17    404.036  93.607  4.0542  87.945  4.2417  5.662575       5.867631  
1 1 1 -16 49  12 o 209.500 4.0603  23905.21   921.328  24070.09   1303.17  23740.44   1302.74  209.626 5.7397  208.170 5.7779  1.456161       8.144172  
1 1 1 -16 49  13 o 185.143 3.7439  18663.65   750.768  18558.04   1070.18  18765.99   1053.51  184.098 5.3671  185.169 5.2529  -1.071335      7.509903  
1 1 1 -16 49  14 o 112.580 3.0172  6890.00    367.901  6533.05    536.161  7207.60    505.752  109.365 4.5263  114.968 4.0615  -5.602959      6.081440  
1 1 1 -16 49  15 o 32.942  4.9096  606.897    169.823  419.611    253.997  758.302    228.373  27.193  8.0532  36.669  5.9543  -9.476048      10.01541  
1 1 1 -16 49  16 o 80.375  3.1810  3517.36    276.916  3320.90    412.008  3679.24    373.985  77.658  4.9238  81.929  4.2289  -4.271225      6.490602  
1 1 1 -16 49  17 o 61.508  3.4625  2069.61    229.734  2238.25    357.381  1950.85    299.910  63.575  5.2367  59.458  4.6952  4.116196       7.033371  
1 1 1 -16 49  18 o 117.477 3.1720  7523.87    403.599  7418.72    577.559  7624.22    564.226  116.233 4.5877  117.890 4.4188  -1.657639      6.369699  
1 1 1 -16 49  19 o 151.118 3.4146  12476.59   558.888  12043.20   799.007  12891.78   782.041  147.735 4.9934  153.003 4.7191  -5.268005      6.870541  
1 1 1 -16 49  20 o 47.691  4.1776  1259.22    213.614  1278.96    320.409  1243.43    286.602  47.388  6.4069  46.934  5.7587  0.4535751      8.614606  
1 1 1 -16 49  21 o 42.367  4.7153  1004.60    212.703  1184.23    324.040  868.612    281.948  45.311  6.8137  38.615  6.9991  6.696121       9.767994  
1 1 1 -16 49  22 o 23.415  7.6212  310.278    221.633  105.042    326.369  485.926    301.928  21.003  8.7209  28.589  8.8467  -7.585918      12.42246  
1 1 1 -16 49  23 o 25.684  7.3118  393.757    213.168  738.755    341.987  174.544    272.605  34.469  9.0463  20.833  8.2103  13.63597       12.21657  
1 1 1 -16 49  24 o 51.452  4.1470  1485.55    229.143  1414.71    467.520  1507.95    262.884  46.954  9.5187  51.559  4.7613  -4.604507      10.64313  
1 1 1 -16 49  25 o 58.173  4.5650  1925.54    285.318  1662.67    501.787  2051.14    346.845  50.195  9.5792  59.457  5.4465  -9.262253      11.01930  
1 1 1 -16 49  26 o 20.552  8.4905  163.798    307.114  -225.8893  423.037  598.043    446.567  18.334  8.5723  29.458  10.756  -11.12381      13.75395  
1 1 1 -16 49  27 o 19.519  8.3112  115.099    308.360  125.261    425.598  103.869    447.392  21.696  9.4992  21.779  9.6297  -0.8303070E-01 13.52652  
1 1 1 -16 49  28 o 37.520  8.5656  959.210    340.431  692.181    473.431  1245.11    489.873  29.841  11.045  40.156  10.958  -10.31482      15.55851  
1 1 1 -16 49  29 o 24.435  9.2225  400.850    333.322  445.878    474.200  356.875    468.626  25.692  10.575  24.464  10.323  1.228456       14.77856  
1 1 1 -16 50  1  f 77.938  4.1548  3309.36    349.467  3342.09    488.151  3274.96    500.522  78.103  5.8122  77.276  6.0277  0.8264465      8.373477  
1 1 1 -16 50  2  o 98.311  4.1420  5250.69    441.048  5663.81    615.226  4813.90    632.611  101.821 5.6002  93.738  6.2670  8.083275       8.404602  
1 1 1 -16 50  3  o 5.9063  2.1324  15.624     17.482   15.559     17.512   34.796     301.184  5.9030  2.1338  19.829  8.3167  -13.92611      8.586065  
1 1 1 -16 50  4  o 172.169 3.4757  16090.07   648.139  15566.76   744.026  17736.89   1319.87  169.275 4.0581  180.184 6.7631  -10.90923      7.887199  
1 1 1 -16 50  5  o 56.186  2.2037  1711.24    134.103  1684.79    142.090  1926.85    405.691  55.746  2.3533  59.062  6.4466  -3.316116      6.862675  
1 1 1 -16 50  6  o 172.207 3.5813  16103.31   667.984  15982.01   768.584  16477.82   1350.51  171.480 4.1382  173.491 7.1870  -2.011475      8.293225  
1 1 1 -16 50  7  o 153.159 3.3628  12735.94   557.838  12458.02   641.663  13596.09   1128.83  151.410 3.9127  157.672 6.6101  -6.261993      7.681300  
1 1 1 -16 50  8  o 206.984 3.5688  23274.14   800.071  23553.83   1033.30  22855.44   1264.28  208.012 4.5863  204.616 5.7047  3.395660       7.319702  
1 1 1 -16 50  9  o 64.770  3.5326  2286.29    246.884  2503.93    458.440  2197.39    293.000  67.339  6.3609  63.398  4.2923  3.941353       7.673696  
1 1 1 -16 50  10 o 103.523 2.9141  5818.60    326.751  5376.22    463.656  6255.07    460.552  99.360  4.3084  107.219 3.9659  -7.859390      5.855791  
1 1 1 -16 50  11 o 114.454 2.9823  7115.18    369.700  6912.62    522.393  7318.43    523.279  112.638 4.2820  115.915 4.1680  -3.277458      5.975535  
1 1 1 -16 50  12 o 64.227  3.1831  2242.23    221.428  2222.75    328.319  2258.48    299.901  63.622  4.7998  64.215  4.3374  -0.5924873     6.469257  
1 1 1 -16 50  13 o 88.290  2.9587  4236.19    282.932  4106.64    407.917  4356.28    392.766  86.645  4.3606  89.395  4.0565  -2.750038      5.955661  
1 1 1 -16 50  14 o 28.509  1.5740  441.959    48.413   692.717    237.730  431.110    49.449   34.903  6.5286  28.151  1.6287  6.751554       6.728697  
1 1 1 -16 50  15 o 44.728  3.8755  1099.44    185.893  1392.28    276.864  859.057    250.842  50.119  5.1748  39.023  6.1375  11.09612       8.027942  
1 1 1 -16 50  16 o 109.916 3.0911  6576.95    367.996  6630.98    531.446  6527.17    510.063  110.058 4.4583  109.231 4.3113  0.8268127      6.201899  
1 1 1 -16 50  17 o 95.692  3.0797  4987.48    319.194  5047.14    471.203  4936.89    433.917  95.943  4.5345  94.968  4.2185  0.9749832      6.193328  
1 1 1 -16 50  18 o 38.754  4.7438  837.653    194.962  994.403    295.524  716.857    259.426  41.713  6.7735  35.210  7.0486  6.503403       9.775621  
1 1 1 -16 50  19 o 18.718  7.0376  151.429    193.692  -33.4935   279.241  322.905    268.897  17.691  7.7214  24.529  8.4032  -6.838152      11.41195  
1 1 1 -16 50  20 o 35.358  5.6250  711.685    208.203  979.956    298.846  458.660    290.230  41.170  6.9493  28.056  8.6723  13.11376       11.11308  
1 1 1 -16 50  21 o 79.274  3.3408  3441.16    286.843  3368.57    427.017  3500.85    387.213  77.712  5.1016  79.477  4.5169  -1.764748      6.813839  
1 1 1 -16 50  22 o 24.639  7.5220  354.367    219.127  358.533    329.468  351.063    293.437  25.798  9.2643  25.204  8.7703  0.5939407      12.75717  
1 1 1 -16 50  23 o 67.182  3.8103  2501.98    276.114  3098.53    439.993  2114.44    354.636  73.871  5.5396  61.016  5.4227  12.85452       7.751977  
1 1 1 -16 50  24 o 40.607  2.3006  904.633    100.769  1052.43    444.749  896.636    103.460  39.610  10.278  40.410  2.3743  -0.7995453     10.54872  
1 1 1 -16 50  25 o 57.276  4.6529  1870.85    286.153  2193.75    513.326  1725.27    344.675  59.099  8.2439  54.119  5.9801  4.980286       10.18444  
1 1 1 -16 50  26 o 72.496  5.3214  3058.11    414.918  2824.53    584.194  3295.88    589.407  66.540  8.2855  72.774  7.5894  -6.234047      11.23601  
1 1 1 -16 50  27 o 19.172  8.2797  86.347     314.183  -120.8545  442.158  297.655    446.518  19.359  8.9527  24.133  10.124  -4.773367      13.51492  
1 1 1 -16 50  28 o 56.477  3.0612  1783.31    186.553  1719.51    198.660  2259.45    542.676  55.295  3.3327  57.420  9.0234  -2.125744      9.619171  
1 1 1 -16 50  29 o 36.031  9.0767  920.533    354.050  317.609    511.227  1476.25    490.803  24.333  10.535  44.408  10.389  -20.07509      14.79573  
1 1 1 -16 51  1  o 100.907 3.8686  5530.63    422.811  5690.77    634.084  5402.43    567.355  102.013 5.7624  99.464  5.2854  2.548912       7.819261  
1 1 1 -16 51  2  o 158.785 4.8009  13716.76   825.668  13043.79   1161.85  14403.38   1173.58  154.456 6.9451  162.365 6.6734  -7.909409      9.631637  
1 1 1 -16 51  3  o 84.526  2.5501  3874.24    233.460  3918.05    258.439  3679.92    544.305  84.990  2.8075  81.890  6.1824  3.100792       6.789999  
1 1 1 -16 51  4  o 61.470  2.7590  2049.52    183.693  1940.43    203.549  2528.28    426.400  59.714  3.1584  67.839  5.8608  -8.124630      6.657645  
1 1 1 -16 51  5  o 49.608  2.0730  1333.98    111.387  1422.93    180.097  1278.89    141.749  51.096  3.2714  48.482  2.7103  2.614704       4.248247  
1 1 1 -16 51  6  o 87.759  2.6386  4177.42    250.800  4415.16    305.773  3688.67    438.421  90.192  3.1301  82.155  4.9502  8.037415       5.856780  
1 1 1 -16 51  7  o 177.452 3.8535  17115.15   740.645  17349.87   812.606  15963.21   1800.19  178.604 4.2007  169.419 9.8530  9.185547       10.71105  
1 1 1 -16 51  8  o 97.578  2.9883  5168.64    315.830  5464.57    365.043  4287.70    629.829  100.301 3.3602  88.223  6.6400  12.07864       7.441833  
1 1 1 -16 51  9  o 83.036  3.3978  3746.51    305.585  4483.49    549.333  3416.26    367.734  90.402  5.6384  79.096  4.3087  11.30565       7.096275  
1 1 1 -16 51  10 o 99.568  2.7489  5381.78    296.447  4882.22    437.883  5804.48    402.789  94.673  4.2703  103.315 3.5995  -8.642036      5.585002  
1 1 1 -16 51  11 o 31.563  5.0925  557.812    168.168  762.011    241.946  366.952    233.910  36.761  6.3035  25.654  7.7582  11.10687       9.996186  
1 1 1 -16 51  12 o 35.977  4.2067  715.096    160.825  880.297    233.613  566.268    221.735  39.707  5.5865  31.489  6.7068  8.217602       8.728692  
1 1 1 -16 51  13 o 68.519  2.5016  2549.04    185.653  3025.35    332.369  2333.03    223.825  74.367  4.1429  65.501  3.1549  8.865173       5.207385  
1 1 1 -16 51  14 o 45.702  2.1180  1133.44    104.839  1299.59    294.829  1109.40    112.171  48.298  5.7489  45.148  2.3015  3.150349       6.192512  
1 1 1 -16 51  15 o 138.761 3.2983  10485.81   495.713  10674.32   694.812  10290.38   707.448  139.637 4.5941  137.046 4.7660  2.590485       6.619714  
1 1 1 -16 51  16 o 31.493  5.5565  561.774    182.603  763.087    264.201  377.658    252.664  36.483  6.9397  25.956  8.1029  10.52746       10.66846  
1 1 1 -16 51  17 o 111.452 3.1731  6769.59    383.043  7022.71    558.699  6545.08    526.174  113.137 4.5593  109.257 4.4464  3.880585       6.368521  
1 1 1 -16 51  18 f 54.950  3.7587  1659.18    222.361  1595.61    346.680  1703.61    289.832  53.252  6.1220  55.416  4.8786  -2.163403      7.828127  
1 1 1 -16 51  19 o 95.574  3.1485  4986.44    325.916  4958.91    473.736  5011.18    449.080  94.878  4.6100  95.468  4.3431  -0.5896454     6.333594  
1 1 1 -16 51  20 o 61.675  3.6161  2091.63    240.497  2170.79    356.739  2025.68    325.617  62.289  5.3393  60.265  5.0346  2.024437       7.338641  
1 1 1 -16 51  21 o 59.337  3.7722  1941.59    241.174  1941.85    360.714  1941.39    324.324  58.656  5.7518  58.888  5.1363  -0.2323647     7.711382  
1 1 1 -16 51  22 o 56.326  4.2999  1765.72    260.344  1651.27    394.221  1854.25    346.704  53.303  6.9975  57.173  5.6738  -3.870010      9.008705  
1 1 1 -16 51  23 o 19.910  7.5049  188.684    220.548  327.566    354.587  101.053    281.661  25.068  9.4999  19.521  8.1031  5.547337       12.48632  
1 1 1 -16 51  24 o 12.377  5.7322  -127.4469  182.252  293.390    419.818  -225.1769  202.311  24.792  10.046  11.972  5.6965  12.82005       11.54911  
1 1 1 -16 51  25 o 14.904  7.0448  -261.6408  299.675  -398.6482  425.955  -127.3660  421.686  17.136  8.1844  19.359  8.8762  -2.223658      12.07361  
1 1 1 -16 51  26 o 28.704  9.7329  562.053    360.695  571.874    473.662  548.498    556.492  28.864  10.970  28.756  11.597  0.1080170      15.96326  
1 1 1 -16 51  27 o 28.610  1.5522  447.612    47.919   450.343    48.183   200.920    457.949  28.696  1.5561  22.957  9.9550  5.739597       10.07589  
1 1 1 -16 51  28 o 55.274  7.1136  1935.58    415.988  1886.39    555.594  1998.33    627.547  50.521  10.496  50.221  11.746  0.2996178      15.75275  
1 1 1 -16 52  1  o 132.178 4.4297  9501.28    634.171  9333.20    893.664  9671.78    900.077  130.723 6.3118  133.085 6.2443  -2.361984      8.878601  
1 1 1 -16 52  2  o 102.862 4.1319  5750.89    460.340  5599.68    643.075  5909.80    659.264  101.142 5.8958  103.918 5.8815  -2.775185      8.327811  
1 1 1 -16 52  3  o 67.941  2.0115  2502.01    148.022  2456.46    180.875  2594.37    257.567  67.305  2.4812  69.126  3.4402  -1.820976      4.241606  
1 1 1 -16 52  4  o 72.795  2.7384  2874.58    215.909  2920.11    241.802  2695.50    479.553  73.355  3.0434  69.946  6.4010  3.408890       7.087639  
1 1 1 -16 52  5  o 116.641 2.9765  7383.16    376.031  7664.82    429.673  6461.67    777.182  118.814 3.3389  108.477 6.6468  10.33685       7.438324  
1 1 1 -16 52  6  o 114.811 2.9404  7153.82    365.642  7351.39    418.974  6522.61    748.891  116.352 3.3246  109.020 6.3699  7.331421       7.185368  
1 1 1 -16 52  7  f 203.193 3.8113  22445.36   838.780  22555.72   967.321  22110.93   1683.95  203.566 4.3873  200.472 7.7554  3.093903       8.910365  
1 1 1 -16 52  8  f 113.774 2.9184  7027.16    359.635  7545.90    515.253  6534.37    502.198  117.768 4.0395  109.566 4.2318  8.202087       5.850260  
1 1 1 -16 52  9  o 92.432  3.4901  4644.38    349.407  4350.43    614.953  4784.52    424.604  88.835  6.4349  93.739  4.1821  -4.904686      7.674498  
1 1 1 -16 52  10 o 147.808 3.2557  11873.52   521.201  11525.95   734.224  12226.57   739.987  145.357 4.6636  149.733 4.5629  -4.375916      6.524500  
1 1 1 -16 52  11 o 111.277 2.9094  6726.60    350.656  6393.64    495.820  7059.77    495.985  108.302 4.2268  113.839 4.0226  -5.536957      5.835021  
1 1 1 -16 52  12 o 34.837  4.4700  673.016    164.773  815.993    252.533  567.020    217.436  38.027  6.3557  31.523  6.5810  6.503611       9.149039  
1 1 1 -16 52  13 o 78.628  2.5566  3357.51    217.729  3377.28    372.855  3347.28    268.209  78.522  4.4018  78.450  3.1565  0.7184601E-01  5.416620  
1 1 1 -16 52  14 o 94.034  2.8492  4807.26    290.188  4742.75    456.299  4851.07    376.027  93.126  4.5239  94.339  3.6801  -1.212936      5.831668  
1 1 1 -16 52  15 o 63.784  2.3892  2209.93    165.059  1763.68    336.819  2350.98    189.355  56.338  5.5938  65.764  2.6584  -9.426266      6.193323  
1 1 1 -16 52  16 o 24.336  6.2789  340.328    166.604  23.896     253.037  582.481    221.355  17.890  7.5694  31.829  6.6358  -13.93917      10.06628  
1 1 1 -16 52  17 o 110.560 3.1628  6663.21    378.735  6943.94    547.977  6406.46    524.049  112.491 4.4975  108.056 4.4777  4.434906       6.346461  
1 1 1 -16 52  18 o 120.265 3.1624  7891.26    411.936  8541.01    602.722  7321.70    564.306  124.661 4.4639  115.401 4.5148  9.260109       6.348986  
1 1 1 -16 52  19 f 74.654  3.2999  3045.57    266.819  2914.77    389.879  3160.81    365.938  72.451  4.9990  75.638  4.4868  -3.187798      6.717256  
1 1 1 -16 52  20 o 14.245  6.1869  -18.0175   177.420  60.535     265.579  -81.3305   238.430  18.725  7.8285  15.517  6.9349  3.208115       10.45844  
1 1 1 -16 52  21 o 59.703  3.7594  1966.16    241.860  1982.82    362.884  1952.85    324.421  59.258  5.7253  59.044  5.1238  0.2142715      7.683242  
1 1 1 -16 52  22 o 33.114  1.4496  595.416    51.990   604.139    52.677   267.604    322.928  33.356  1.4581  23.718  9.0473  9.637655       9.164021  
1 1 1 -16 52  23 o 31.658  7.0496  606.214    235.520  781.698    365.451  481.556    308.015  34.886  9.4416  27.918  8.9753  6.967628       13.02690  
1 1 1 -16 52  24 o 21.062  1.2962  241.961    29.426   268.458    431.628  241.837    29.494   24.496  10.087  21.056  1.2996  3.439980       10.17038  
1 1 1 -16 52  25 o 4.9239  2.2866  -25.5667   29.292   -26.5719   29.337   301.247    528.993  4.8949  2.2782  25.796  10.931  -20.90102      11.16593  
1 1 1 -16 52  26 o 50.342  6.8715  1555.86    364.888  1409.39    519.240  1698.77    512.879  43.995  10.942  49.732  9.8699  -5.737492      14.73591  
1 1 1 -16 52  27 o 32.795  9.2463  755.718    342.596  537.141    488.449  967.374    480.653  27.660  10.962  35.197  11.201  -7.537397      15.67237  
1 1 1 -16 52  28 o 26.840  9.4452  509.011    340.805  797.193    489.808  238.562    474.499  31.464  11.296  23.253  10.108  8.210976       15.15862  
1 1 1 -16 53  1  o 86.753  3.5273  4087.59    331.430  4369.70    537.613  3914.65    420.934  89.332  5.5844  84.688  4.6064  4.643608       7.239104  
1 1 1 -16 53  2  o 159.085 4.8132  13779.73   829.340  13313.25   1167.65  14254.63   1178.15  155.925 6.9140  161.387 6.7400  -5.462753      9.655596  
1 1 1 -16 53  3  o 17.912  4.5886  181.263    89.419   142.678    93.740   571.108    297.962  16.158  4.9169  31.665  8.5067  -15.50675      9.825463  
1 1 1 -16 53  4  o 60.304  2.7497  1972.99    179.599  1916.06    199.270  2219.41    414.567  59.331  3.1118  63.445  6.1084  -4.114155      6.855320  
1 1 1 -16 53  5  o 109.253 2.9000  6477.85    343.162  6381.90    391.404  6796.70    713.500  108.404 3.3336  111.378 5.9360  -2.974312      6.808007  
1 1 1 -16 53  6  o 134.367 3.0941  9802.42    450.295  9675.29    517.615  10198.01   913.091  133.435 3.5815  136.534 6.1745  -3.098923      7.138053  
1 1 1 -16 53  7  o 80.319  2.5356  3500.01    220.586  3538.35    288.329  3445.91    342.540  80.707  3.2984  79.590  3.9736  1.116577       5.164192  
1 1 1 -16 53  8  o 31.286  4.2341  542.530    139.791  672.316    196.930  410.711    198.467  34.676  5.4209  26.837  6.8151  7.838406       8.708172  
1 1 1 -16 53  9  o 102.752 3.4295  5739.79    381.669  5777.90    670.687  5721.54    464.154  102.501 6.0682  102.493 4.1812  0.7667542E-02  7.369240  
1 1 1 -16 53  10 o 109.759 2.9468  6544.16    350.317  6255.65    490.559  6844.40    500.435  107.138 4.2274  112.084 4.1222  -4.945663      5.904581  
1 1 1 -16 53  11 o 54.603  3.2666  1626.92    192.303  1713.94    268.951  1535.90    275.066  55.867  4.4825  52.799  4.8646  3.068111       6.614920  
1 1 1 -16 53  12 o 24.707  1.5666  332.244    41.707   392.748    212.750  329.826    42.532   26.244  7.2462  24.614  1.6042  1.630081       7.421680  
1 1 1 -16 53  13 o 96.350  3.3962  5053.59    354.415  4982.82    444.218  5177.53    587.880  95.525  4.2935  96.932  5.6237  -1.406891      7.075300  
1 1 1 -16 53  14 f 59.919  3.2723  1960.55    211.564  2161.39    310.172  1785.81    289.308  62.678  4.6011  56.914  4.7363  5.764751       6.603213  
1 1 1 -16 53  15 o 47.240  1.8712  1210.83    95.738   902.645    271.785  1254.49    102.295  39.885  6.5164  48.079  1.9644  -8.193844      6.806080  
1 1 1 -16 53  16 o 12.699  5.6309  -49.9156   154.044  -95.2266   235.326  -15.9423   203.768  15.329  6.8674  15.431  6.6659  -0.1021357     9.570564  
1 1 1 -16 53  17 o 120.518 3.1902  7920.57    416.424  8059.09    601.008  7792.66    577.519  121.124 4.5812  119.144 4.4753  1.980530       6.404377  
1 1 1 -16 53  18 o 92.066  3.1981  4626.58    318.901  3912.08    476.036  5208.30    429.529  83.944  5.2623  97.446  4.0697  -13.50155      6.652390  
1 1 1 -16 53  19 o 67.529  3.3720  2493.93    246.631  2681.19    366.099  2338.34    333.723  69.482  4.8960  64.904  4.7810  4.578011       6.843157  
1 1 1 -16 53  20 o 82.903  3.3086  3761.40    297.089  3496.74    426.339  4011.21    414.217  79.261  4.9917  85.120  4.5090  -5.858192      6.726663  
1 1 1 -16 53  21 o 34.787  6.0176  698.384    218.526  672.799    320.953  720.495    298.366  33.264  8.7799  34.623  8.1003  -1.359539      11.94575  
1 1 1 -16 53  22 o 41.918  5.4332  1003.52    240.876  1091.40    369.246  938.417    317.812  42.383  8.3407  39.537  7.6985  2.845871       11.35051  
1 1 1 -16 53  23 o 47.823  4.9814  1304.42    254.236  1349.17    390.444  1271.49    334.983  46.921  7.9679  46.179  6.9097  0.7411613      10.54663  
1 1 1 -16 53  24 o 21.111  2.7466  249.059    61.317   1069.66    450.236  233.552    61.893   39.479  10.389  20.401  2.8813  19.07789       10.78085  
1 1 1 -16 53  25 o 21.246  8.6516  193.943    313.119  283.486    444.523  105.761    441.131  24.530  10.181  22.173  9.6905  2.357321       14.05555  
1 1 1 -16 53  26 o 50.649  6.8952  1581.08    368.431  1535.30    525.252  1625.42    516.930  46.106  10.721  48.052  10.245  -1.946133      14.82918  
1 1 1 -16 53  27 o 34.343  9.1556  825.299    346.768  1250.59    498.595  426.849    482.605  40.387  11.069  25.983  10.679  14.40469       15.38052  
1 1 1 -16 53  28 o 37.446  9.4859  1004.79    385.166  414.274    508.121  1802.40    590.537  25.667  10.786  47.938  11.517  -22.27120      15.77909  
1 1 1 -16 54  1  o 96.844  4.0993  5100.73    429.984  5093.12    603.344  5108.59    612.950  96.396  5.8059  96.526  5.8911  -0.1297684     8.271221  
1 1 1 -16 54  2  o 103.295 4.1455  5803.42    463.789  6036.45    649.329  5560.73    662.668  104.988 5.7319  100.677 6.1059  4.311073       8.374791  
1 1 1 -16 54  3  o 184.469 3.4801  18485.79   695.326  19005.75   800.280  16884.28   1404.50  186.962 3.9520  175.344 7.3954  11.61783       8.385135  
1 1 1 -16 54  4  o 67.722  2.8051  2488.84    205.755  2346.61    231.977  3013.43    445.506  65.735  3.2582  74.085  5.5933  -8.350571      6.473061  
1 1 1 -16 54  5  o 178.197 3.6079  17257.44   696.337  17662.85   802.359  16020.28   1401.63  180.183 4.1113  170.665 7.5826  9.517975       8.625488  
1 1 1 -16 54  6  o 65.518  2.9298  2330.42    207.909  2477.08    236.226  1826.34    437.944  67.531  3.2297  57.212  7.2288  10.31870       7.917444  
1 1 1 -16 54  7  o 198.251 3.6204  21369.91   777.395  20592.56   1033.71  22381.91   1179.45  194.287 4.9123  202.404 5.3801  -8.117813      7.285347  
1 1 1 -16 54  8  o 150.441 3.3449  12301.05   545.035  12732.75   769.326  11866.03   772.274  152.801 4.6485  147.467 4.8351  5.334213       6.707226  
1 1 1 -16 54  9  o 91.477  3.7295  4553.54    369.513  4703.72    600.472  4462.01    468.783  92.427  6.0313  90.284  4.8112  2.143013       7.715200  
1 1 1 -16 54  10 o 44.949  3.4094  1105.10    164.745  1175.06    232.284  1034.30    233.693  46.157  4.7124  43.205  5.0917  2.952484       6.937776  
1 1 1 -16 54  11 f 62.994  3.2563  2163.69    221.411  2139.78    324.078  2184.63    303.208  62.389  4.8336  63.112  4.4645  -0.7224541     6.579930  
1 1 1 -16 54  12 o 58.112  2.1913  1832.63    137.923  1676.02    296.348  1875.93    155.828  55.113  5.0196  58.780  2.4476  -3.667309      5.584555  
1 1 1 -16 54  13 o 63.195  3.1098  2172.66    212.857  2302.25    307.881  2054.00    294.608  64.755  4.4161  61.135  4.4804  3.619968       6.290928  
1 1 1 -16 54  14 o 54.246  3.4173  1609.50    199.756  1693.79    292.482  1535.81    273.470  55.366  4.9289  52.719  4.8435  2.647217       6.910390  
1 1 1 -16 54  15 o 20.146  1.4075  221.104    30.518   400.812    264.634  218.682    30.723   26.678  8.2868  20.033  1.4252  6.645161       8.408448  
1 1 1 -16 54  16 o 78.193  3.1714  3332.24    268.592  3380.91    405.489  3294.18    358.525  78.301  4.8045  77.427  4.2920  0.8739777      6.442367  
1 1 1 -16 54  17 o 29.103  5.9215  486.140    180.304  430.839    281.353  524.679    234.872  27.462  8.5469  29.987  7.3000  -2.525692      11.24009  
1 1 1 -16 54  18 o 64.627  3.4144  2289.04    238.149  2769.35    360.452  1916.96    317.255  70.732  4.7323  58.702  5.0386  12.03001       6.912477  
1 1 1 -16 54  19 o 56.576  3.6287  1760.89    221.185  1556.96    333.109  1921.70    295.808  52.480  5.9663  58.817  4.6822  -6.336205      7.584226  
1 1 1 -16 54  20 o 18.031  6.8807  135.207    186.825  46.234     287.828  199.984    245.591  19.101  8.0768  21.031  7.9211  -1.930422      11.31279  
1 1 1 -16 54  21 o 21.522  7.0696  258.670    190.548  394.585    287.486  152.177    254.475  26.174  8.6877  20.073  7.9257  6.101419       11.75981  
1 1 1 -16 54  22 o 40.288  5.8091  937.834    246.159  998.972    389.657  897.230    317.548  39.904  9.2034  38.435  7.8922  1.468845       12.12394  
1 1 1 -16 54  23 o 34.396  1.3898  643.003    51.777   652.398    52.432   273.980    328.609  34.645  1.3973  23.347  9.0684  11.29855       9.175456  
1 1 1 -16 54  24 o 31.681  2.1849  551.574    74.515   776.217    459.276  545.500    75.516   33.279  10.978  31.496  2.2280  1.782549       11.20152  
1 1 1 -16 54  25 o 22.998  8.9300  286.864    318.570  260.999    450.984  312.624    450.070  24.234  10.171  24.937  10.288  -0.7033615     14.46720  
1 1 1 -16 54  26 o 24.376  9.1485  368.385    327.029  461.365    465.184  277.529    459.841  26.785  10.671  24.146  10.210  2.638689       14.76864  
1 1 1 -16 54  27 o 3.4986  1.7644  -100.7099  31.295   -103.1120  31.371   396.976    451.545  3.4738  1.7537  25.290  10.354  -21.81601      10.50162  
1 1 1 -16 54  28 o 26.892  9.4189  510.563    338.703  382.127    489.244  628.777    469.370  25.163  10.579  28.735  10.920  -3.572720      15.20427  
1 1 1 -16 55  1  o 194.157 5.4005  20577.01   1135.68  22760.38   1612.42  18427.62   1599.83  203.529 7.3144  182.847 8.0782  20.68256       10.89764  
1 1 1 -16 55  2  o 128.592 4.4919  9004.22    625.624  9802.04    882.242  8197.20    887.312  133.863 6.0850  122.100 6.7356  11.76341       9.077159  
1 1 1 -16 55  3  o 62.766  2.7300  2137.89    185.589  2030.00    206.923  2581.66    419.663  61.062  3.1394  68.506  5.7078  -7.444595      6.514190  
1 1 1 -16 55  4  o 97.750  2.7520  5185.72    291.366  4904.06    330.595  6165.74    616.666  95.022  3.2122  106.134 5.3821  -11.11185      6.267771  
1 1 1 -16 55  5  o 163.693 3.3941  14560.31   601.756  14869.26   690.883  13589.25   1224.84  165.339 3.8580  157.216 7.1931  8.123306       8.162361  
1 1 1 -16 55  6  o 77.081  2.6257  3224.42    219.207  3439.10    282.259  2898.16    347.962  79.559  3.2756  72.802  4.4340  6.756508       5.512677  
1 1 1 -16 55  7  o 130.178 3.0610  9205.10    431.594  9400.39    608.531  9007.44    612.218  131.364 4.2770  128.567 4.3965  2.796341       6.133647  
1 1 1 -16 55  8  o 174.353 3.4232  16528.48   646.443  16137.86   912.450  16922.13   915.977  171.921 4.9001  176.077 4.8030  -4.156082      6.861488  
1 1 1 -16 55  9  o 109.619 4.2302  6549.89    502.246  6627.40    726.593  6478.97    695.025  109.710 6.1393  108.529 5.9352  1.180679       8.539169  
1 1 1 -16 55  10 o 54.141  3.3180  1600.07    193.630  1896.84    273.600  1302.28    274.068  58.816  4.3252  48.497  5.3041  10.31914       6.844054  
1 1 1 -16 55  11 o 40.141  2.0552  876.429    89.057   1005.47    235.324  854.858    96.213   42.543  5.2163  39.626  2.2510  2.917103       5.681305  
1 1 1 -16 55  12 o 22.859  5.8330  298.244    144.895  202.161    210.118  385.360    200.074  20.623  7.3992  25.948  6.9706  -5.325565      10.16546  
1 1 1 -16 55  13 o 65.088  3.1738  2305.80    223.748  2365.46    330.779  2255.47    303.796  65.570  4.6885  64.079  4.4039  1.490685       6.432462  
1 1 1 -16 55  14 o 20.925  6.2543  245.137    152.673  222.490    224.512  264.618    208.230  21.418  7.6522  22.277  7.3938  -0.8595181     10.64071  
1 1 1 -16 55  15 o 19.914  6.8102  204.360    176.607  105.326    265.292  283.178    236.672  19.770  7.9951  23.199  7.8839  -3.428589      11.22841  
1 1 1 -16 55  16 o 49.809  3.7583  1363.54    201.260  1365.71    300.930  1361.78    270.712  49.376  5.7338  49.467  5.1271  -0.9157562E-01 7.691831  
1 1 1 -16 55  17 o 24.601  6.4239  350.095    173.019  567.641    265.776  190.090    227.932  31.079  7.8834  20.552  7.6525  10.52694       10.98670  
1 1 1 -16 55  18 o 2.8641  1.4526  -84.9042   23.126   463.957    261.419  -89.2333   23.217   28.150  8.1233  ?       ?       0.000000       8.123333  
1 1 1 -16 55  19 o 55.966  3.7426  1725.55    225.562  2010.18    350.523  1524.39    294.680  59.878  5.4650  52.139  5.2915  7.738731       7.607011  
1 1 1 -16 55  20 o 59.522  3.6500  1951.62    234.176  2190.77    350.524  1758.84    314.713  62.543  5.2223  55.985  5.2514  6.557678       7.406064  
1 1 1 -16 55  21 o 16.921  6.7937  90.161     190.056  393.243    293.583  -128.4866  249.359  26.136  8.7813  15.144  6.8985  10.99170       11.16693  
1 1 1 -16 55  22 o 24.614  7.8710  360.336    237.124  453.177    350.883  282.296    321.701  27.537  9.5900  23.702  9.0328  3.835094       13.17419  
1 1 1 -16 55  23 o 14.829  6.6822  -74.1099   226.427  -80.6137   363.740  -69.9952   289.319  18.719  8.4490  16.869  7.5819  1.850073       11.35213  
1 1 1 -16 55  24 o 21.698  8.6919  213.995    310.337  270.831    436.812  156.067    440.984  24.472  10.119  22.981  9.8659  1.490938       14.13270  
1 1 1 -16 55  25 o 17.403  7.8254  -50.1954   308.602  -110.8804  436.377  10.519     436.481  19.660  9.0196  20.904  9.3598  -1.244078      12.99847  
1 1 1 -16 55  26 o 28.282  9.3594  551.647    333.747  338.730    474.529  760.066    469.490  25.031  10.465  31.722  11.090  -6.690073      15.24825  
1 1 1 -16 55  27 o 44.828  7.7900  1305.62    364.502  2025.05    522.550  623.830    508.696  54.335  9.2082  28.781  11.254  25.55373       14.54110  
1 1 1 -16 56  1  o 60.915  5.1166  2038.94    334.454  2045.54    440.633  2029.97    513.711  60.677  6.8230  60.139  8.0920  0.5383606      10.58463  
1 1 1 -16 56  2  o 97.238  4.5572  5151.81    479.959  5140.18    666.582  5164.32    691.640  96.638  6.4048  96.808  6.6363  -0.1705246     9.222886  
1 1 1 -16 56  3  o 204.372 3.8516  22719.27   852.575  22852.37   978.211  22298.67   1738.95  204.829 4.4093  201.018 7.9870  3.811401       9.123258  
1 1 1 -16 56  4  o 46.280  2.3007  1161.78    115.326  1167.75    118.572  1057.22    496.251  46.336  2.3706  42.631  10.750  3.705383       11.00803  
1 1 1 -16 56  5  o 152.620 3.2475  12655.97   536.829  12290.37   615.444  13819.06   1097.73  150.312 3.7803  158.732 6.3850  -8.420547      7.420139  
1 1 1 -16 56  6  o 140.594 2.7820  10731.65   423.641  10783.36   546.723  10653.94   670.193  140.816 3.5846  139.816 4.4256  0.9997559      5.695213  
1 1 1 -16 56  7  o 112.445 2.9238  6867.27    356.084  6655.74    511.929  7065.55    495.624  110.517 4.2767  113.910 4.0172  -3.393097      5.867536  
1 1 1 -16 56  8  o 49.072  3.1529  1314.09    166.689  1401.57    232.269  1221.18    239.359  50.529  4.2844  47.060  4.7615  3.468395       6.405293  
1 1 1 -16 56  9  o 153.016 4.8278  12791.53   800.127  13886.10   1129.61  11689.38   1133.50  158.841 6.5659  145.504 7.1925  13.33742       9.738715  
1 1 1 -16 56  10 o 98.058  2.9213  5225.05    310.265  5109.03    436.472  5343.56    441.127  96.793  4.1633  98.998  4.1140  -2.204819      5.853065  
1 1 1 -16 56  11 o 55.512  2.0886  1672.02    125.577  1601.36    278.266  1690.08    140.721  53.899  4.8173  55.799  2.3284  -1.899319      5.350545  
1 1 1 -16 56  12 o 129.426 3.1521  9114.59    441.863  8995.20    631.567  9229.07    618.417  128.248 4.5467  129.947 4.3939  -1.698486      6.322860  
1 1 1 -16 56  13 o 141.562 3.2605  10911.73   499.926  10732.14   710.464  11087.86   703.591  139.988 4.6858  142.330 4.5641  -2.341675      6.541198  
1 1 1 -16 56  14 f 37.626  4.7432  788.054    189.005  957.274    279.601  645.665    256.479  41.097  6.4974  33.425  7.2898  7.672009       9.765120  
1 1 1 -16 56  15 o 65.257  3.2982  2327.47    232.359  2272.14    350.578  2370.82    310.305  64.070  5.0941  65.634  4.3904  -1.564354      6.724948  
1 1 1 -16 56  16 f 87.469  2.8134  4165.88    266.541  4434.43    426.240  3993.44    341.562  89.900  4.3775  85.474  3.6895  4.426331       5.724914  
1 1 1 -16 56  17 o 65.302  3.3459  2335.13    235.858  2277.27    353.288  2381.66    316.794  64.009  5.1392  65.667  4.4808  -1.658760      6.818328  
1 1 1 -16 56  18 o 29.857  1.3413  483.523    43.378   323.671    286.037  487.286    43.885   24.724  8.6559  29.973  1.3518  -5.249502      8.760816  
1 1 1 -16 56  19 o 31.613  5.6533  572.803    186.466  406.460    285.654  696.312    246.142  26.655  8.6510  34.571  6.8159  -7.915411      11.01348  
1 1 1 -16 56  20 o 11.848  5.5455  -165.8598  177.834  -309.6156  259.985  -39.4589   243.787  13.520  6.4399  16.293  7.1602  -2.773377      9.630181  
1 1 1 -16 56  21 o 21.090  7.1916  243.828    196.941  279.153    309.342  219.751    255.384  23.690  8.8964  21.469  8.0792  2.221136       12.01744  
1 1 1 -16 56  22 o 38.062  6.1247  850.647    243.927  739.272    384.517  925.651    315.548  33.694  9.8893  38.891  7.7631  -5.196743      12.57234  
1 1 1 -16 56  23 o 19.240  7.6957  149.363    242.875  144.112    419.874  152.003    297.744  22.640  9.6706  20.460  8.3960  2.179575       12.80674  
1 1 1 -16 56  24 o 35.007  8.7009  799.779    328.473  845.314    462.951  753.618    466.129  34.447  10.996  32.645  11.064  1.802410       15.59916  
1 1 1 -16 56  25 o 67.742  5.5355  2688.84    402.603  1887.25    567.806  3499.31    570.942  51.966  10.450  75.612  7.0530  -23.64612      12.60772  
1 1 1 -16 56  26 o 27.898  9.3568  537.423    333.325  567.038    471.823  507.917    470.962  28.290  10.900  27.360  10.789  0.9296341      15.33679  
1 1 1 -16 56  27 o 27.906  9.4513  549.951    340.121  874.770    484.855  235.253    477.242  33.196  11.284  23.421  10.159  9.775616       15.18377  
1 1 1 -16 57  1  o 72.816  4.6814  2902.85    367.257  2488.16    488.792  3440.46    556.537  66.961  6.8354  78.911  6.5713  -11.94955      9.481824  
1 1 1 -16 57  2  o 87.721  4.6329  4206.70    438.614  4183.99    607.327  4231.46    634.129  87.094  6.4847  87.525  6.7411  -0.4310913     9.353793  
1 1 1 -16 57  3  o 163.777 3.4361  14580.19   609.513  14095.97   674.689  16729.46   1421.43  160.954 3.8702  174.205 7.5335  -13.25117      8.469444  
1 1 1 -16 57  4  o 59.257  2.5248  1905.51    162.046  1908.28    170.178  1878.59    530.522  59.294  2.6499  57.580  8.7850  1.714504       9.175943  
1 1 1 -16 57  5  o 261.731 4.5534  37352.21   1290.81  36731.43   1487.74  39242.47   2596.08  259.234 5.2986  265.638 9.0231  -6.403870      10.46388  
1 1 1 -16 57  6  o 55.950  2.7046  1699.53    163.896  1600.57    215.750  1834.56    252.020  54.113  3.7034  57.902  4.0440  -3.789249      5.483525  
1 1 1 -16 57  7  o 162.466 3.3655  14352.49   592.224  14113.67   836.855  14592.09   838.208  160.772 4.8059  163.494 4.7335  -2.722275      6.745520  
1 1 1 -16 57  8  o 134.302 3.1276  9803.64    454.944  9714.29    632.831  9899.21    654.492  133.456 4.3781  134.696 4.4862  -1.240234      6.268452  
1 1 1 -16 57  9  o 121.296 4.4342  8029.20    582.553  7483.71    818.877  8588.16    828.924  116.413 6.5208  125.013 6.1219  -8.600838      8.944187  
1 1 1 -16 57  10 o 123.995 3.0601  8359.15    410.971  8318.45    575.215  8401.58    587.376  123.456 4.3018  124.056 4.3715  -0.5996475     6.133123  
1 1 1 -16 57  11 f 32.796  4.6121  599.340    159.303  532.232    218.536  675.435    232.708  30.451  6.7980  34.453  6.4738  -4.002129      9.387373  
1 1 1 -16 57  12 o 81.901  2.9479  3648.23    261.500  3796.32    375.844  3509.27    364.072  83.369  4.1623  80.039  4.2145  3.330254       5.923436  
1 1 1 -16 57  13 f 12.604  5.4911  -24.0493   140.658  130.044    207.123  -155.9392  191.621  18.671  7.2143  12.707  5.8824  5.964228       9.308566  
1 1 1 -16 57  14 o 133.135 3.2037  9655.88    461.974  10154.31   657.213  9169.05    649.516  136.153 4.4567  129.318 4.6372  6.834564       6.431631  
1 1 1 -16 57  15 o 77.325  3.0901  3257.98    258.799  3584.99    376.839  2966.06    356.041  80.766  4.3235  73.397  4.5005  7.369652       6.240723  
1 1 1 -16 57  16 o 94.030  2.9166  4817.51    297.042  4868.82    470.351  4783.47    383.108  94.099  4.6149  93.503  3.7829  0.5964355      5.967241  
1 1 1 -16 57  17 o 54.810  3.7665  1652.64    222.243  1688.79    323.907  1620.48    305.499  54.929  5.5190  53.863  5.3055  1.066418       7.655611  
1 1 1 -16 57  18 o 57.651  2.4384  1809.41    152.256  1676.72    339.908  1842.72    170.296  54.538  5.8454  58.144  2.7042  -3.605457      6.440553  
1 1 1 -16 57  19 f 49.397  4.1327  1351.99    219.077  1439.90    318.954  1273.47    301.432  50.398  5.9584  47.339  6.0148  3.059296       8.466405  
1 1 1 -16 57  20 o 37.234  5.0027  784.535    196.649  492.369    301.723  1000.29    259.284  28.705  8.8373  41.805  5.8895  -13.10065      10.61999  
1 1 1 -16 57  21 o 49.236  4.4220  1358.99    233.301  1125.09    375.608  1505.92    297.689  42.933  8.3781  51.423  5.4269  -8.489159      9.982182  
1 1 1 -16 57  22 o 40.416  5.8850  955.185    250.049  926.870    376.049  977.627    334.782  37.904  9.2430  39.695  8.0620  -1.790417      12.26491  
1 1 1 -16 57  23 o 49.150  5.3723  1398.00    281.336  1891.11    493.775  1160.98    342.339  54.748  8.6114  43.431  7.5517  11.31693       11.45352  
1 1 1 -16 57  24 o 36.799  8.5615  880.673    334.812  701.596    476.416  1055.43    470.629  31.515  11.159  38.478  10.833  -6.962437      15.55256  
1 1 1 -16 57  25 o 16.384  7.5550  -136.8570  311.511  56.824     445.060  -322.8707  436.161  21.432  9.5341  17.727  8.4142  3.705355       12.71606  
1 1 1 -16 57  26 o 49.946  2.4434  1373.96    132.178  1393.09    136.898  1110.70    507.767  50.204  2.5257  37.679  11.439  12.52538       11.71409  
1 1 1 -16 57  27 o 19.147  2.5599  205.812    51.760   198.099    52.079   829.273    468.225  18.759  2.6359  32.522  11.089  -13.76251      11.39784  
1 1 1 -16 58  1  o 120.308 4.5099  7891.33    587.663  8111.77    812.440  7649.42    851.068  121.465 6.1961  117.793 6.6984  3.671349       9.124710  
1 1 1 -16 58  2  o 62.975  5.2615  2182.09    355.590  2184.07    485.694  2179.80    522.028  62.553  7.3064  62.335  7.9100  0.2182999      10.76810  
1 1 1 -16 58  3  o 112.145 2.8350  6829.12    344.351  6451.17    385.880  8306.98    763.043  108.949 3.2701  123.180 5.7192  -14.23074      6.588106  
1 1 1 -16 58  4  o 94.435  2.8311  4842.70    289.569  4895.19    319.367  4600.16    686.526  94.919  3.1065  91.151  7.0075  3.767776       7.665208  
1 1 1 -16 58  5  o 39.577  4.1943  862.856    177.053  925.994    199.564  629.404    383.739  40.952  4.5775  33.264  9.9094  7.687637       10.91563  
1 1 1 -16 58  6  o 25.137  5.5675  359.352    147.584  160.276    209.925  553.905    207.527  19.579  7.3334  31.208  6.3556  -11.62822      9.704182  
1 1 1 -16 58  7  o 81.630  2.9054  3619.98    256.878  4068.00    363.821  3174.61    362.742  86.428  3.8865  76.163  4.4162  10.26478       5.882885  
1 1 1 -16 58  8  o 27.012  4.8465  410.598    136.586  575.963    197.130  257.909    189.424  31.903  5.9230  21.875  7.0392  10.02827       9.199546  
1 1 1 -16 58  9  o 59.021  4.9443  1918.52    313.158  2345.14    437.127  1468.71    448.851  64.987  6.2889  50.707  8.4716  14.28066       10.55074  
1 1 1 -16 58  10 o 89.943  2.7463  4395.67    267.535  4567.15    403.334  4260.94    357.501  91.498  4.0699  88.429  3.7326  3.069115       5.522369  
1 1 1 -16 58  11 o 47.069  3.7349  1215.29    188.845  1305.69    273.290  1132.67    261.251  48.501  5.2881  45.096  5.4599  3.404751       7.600932  
1 1 1 -16 58  12 o 18.284  6.1910  172.256    145.939  -92.6678   218.183  386.752    196.322  14.740  6.6075  25.952  6.8749  -11.21183      9.535312  
1 1 1 -16 58  13 o 41.377  4.0648  944.348    179.815  867.878    269.074  1006.06    241.714  39.068  6.5936  42.442  5.3789  -3.374516      8.509306  
1 1 1 -16 58  14 o 35.355  4.9778  699.953    185.340  827.641    269.989  586.154    254.883  38.032  6.8040  31.747  7.5269  6.285004       10.14641  
1 1 1 -16 58  15 o 41.890  4.1331  970.165    185.080  990.054    274.371  953.558    250.712  41.789  6.2541  41.127  5.7885  0.6621933      8.521738  
1 1 1 -16 58  16 o 36.254  1.7960  713.486    70.521   742.899    265.909  711.261    73.140   35.798  7.1087  36.145  1.8747  -0.3467522     7.351766  
1 1 1 -16 58  17 o 35.095  5.2659  696.236    193.985  662.807    315.079  716.643    246.173  33.352  8.6494  35.200  6.7017  -1.848598      10.94186  
1 1 1 -16 58  18 o 41.460  2.2163  937.679    99.163   1199.34    305.810  906.932    104.827  45.853  6.3262  40.749  2.3855  5.103401       6.760999  
1 1 1 -16 58  19 o 60.331  3.5961  2003.65    233.919  1994.69    353.741  2010.60    311.831  59.540  5.5493  60.048  4.8356  -0.5083580     7.360576  
1 1 1 -16 58  20 o 19.718  6.8704  204.649    180.101  367.889    278.962  87.979     235.837  25.405  8.5597  18.246  7.4780  7.159504       11.36610  
1 1 1 -16 58  21 o 17.749  6.9924  121.330    197.655  90.240     359.384  134.812    236.663  21.171  8.9925  19.056  7.6055  2.114513       11.77746  
1 1 1 -16 58  22 o 47.898  5.1262  1316.35    261.813  1702.56    393.595  1009.85    350.636  53.350  6.9789  40.085  8.3474  13.26466       10.88043  
1 1 1 -16 58  23 o 45.005  7.6270  1249.87    358.503  1538.48    496.768  936.200    517.891  48.180  9.8518  36.041  11.644  12.13903       15.25224  
1 1 1 -16 58  24 o 26.050  9.2020  429.954    323.775  386.741    467.465  469.799    448.874  26.266  10.616  27.417  10.613  -1.151262      15.01122  
1 1 1 -16 58  25 o 25.420  9.2494  414.341    329.829  293.066    477.590  524.925    456.053  24.647  10.412  27.879  10.724  -3.232075      14.94683  
1 1 1 -16 58  26 o 36.886  8.9621  934.890    354.523  1137.18    512.900  749.815    490.585  37.976  11.489  31.111  11.286  6.865467       16.10534  
1 1 1 -16 59  1  o 22.063  8.1373  215.794    256.525  351.176    325.898  -4.6974    415.908  26.439  9.2403  22.350  9.5877  4.089069       13.31568  
1 1 1 -16 59  2  o 161.710 4.9861  14284.79   873.307  12973.01   1225.86  15636.61   1244.43  153.320 7.3820  168.558 6.8163  -15.23801      10.04771  
1 1 1 -16 59  3  o 57.207  3.1414  1783.77    193.900  1779.12    209.717  1811.11    508.934  57.100  3.4065  56.512  8.5849  0.5879364      9.236038  
1 1 1 -16 59  4  o 61.525  2.2982  2053.83    153.145  2045.97    160.283  2136.16    518.958  61.402  2.4101  61.638  7.9594  -0.2358208     8.316339  
1 1 1 -16 59  5  o 24.560  4.9158  341.052    126.202  260.742    168.980  442.348    189.778  21.710  6.6004  27.828  6.4262  -6.117928      9.212072  
1 1 1 -16 59  6  o 128.568 3.1500  8984.92    438.647  8838.79    621.051  9130.38    619.631  127.273 4.5053  129.373 4.4220  -2.100204      6.312801  
1 1 1 -16 59  7  o 76.659  2.9648  3193.38    246.165  3246.68    349.709  3141.03    346.572  77.051  4.2063  75.778  4.2396  1.273560       5.972223  
1 1 1 -16 59  8  o 111.235 2.9534  6724.69    355.821  7336.71    509.151  6140.43    497.467  116.004 4.0523  106.076 4.3299  9.928337       5.930371  
1 1 1 -16 59  9  f 52.190  5.2913  1507.78    294.969  966.551    408.371  2098.19    426.519  40.693  9.4470  61.353  6.5183  -20.66040      11.47755  
1 1 1 -16 59  10 o 91.292  2.9087  4531.29    287.611  4917.93    403.356  4131.39    410.217  94.953  3.9220  86.847  4.3751  8.106560       5.875681  
1 1 1 -16 59  11 o 119.618 3.0343  7784.19    393.115  7768.03    553.439  7800.64    558.492  119.225 4.2858  119.467 4.3162  -0.2422867     6.082571  
1 1 1 -16 59  12 o 75.860  3.0142  3131.54    247.664  3163.23    361.724  3103.58    339.803  75.909  4.4187  75.240  4.1863  0.6694183      6.086868  
1 1 1 -16 59  13 o 92.666  3.0749  4675.72    308.618  4582.35    443.069  4763.71    430.122  91.459  4.4728  93.302  4.2563  -1.842674      6.174265  
1 1 1 -16 59  14 o 103.488 3.0528  5834.24    342.184  5272.06    487.552  6379.97    480.371  98.012  4.5927  107.963 4.1080  -9.950562      6.161894  
1 1 1 -16 59  15 o 87.285  3.1029  4153.96    293.341  4077.65    420.499  4226.29    409.418  86.039  4.5282  87.769  4.3068  -1.729271      6.249299  
1 1 1 -16 59  16 o 14.415  1.4755  113.890    22.711   -62.0826   238.846  115.495    22.815   15.895  7.0315  14.517  1.4713  1.377250       7.183815  
1 1 1 -16 59  17 f 51.449  3.9259  1460.56    217.116  1541.53    343.430  1406.66    280.219  52.169  6.1993  50.125  5.2389  2.044357       8.116492  
1 1 1 -16 59  18 o 22.695  1.8457  281.652    44.978   424.903    277.250  277.780    45.582   27.084  8.4934  22.533  1.8850  4.551140       8.700026  
1 1 1 -16 59  19 o 92.817  3.1924  4716.18    320.930  4699.07    474.106  4730.65    436.009  91.922  4.7784  92.533  4.3504  -0.6111221     6.462127  
1 1 1 -16 59  20 o 42.001  4.8764  996.559    217.705  1001.91    327.074  992.304    291.713  40.955  7.6550  41.153  6.7809  -0.1981697     10.22639  
1 1 1 -16 59  21 o 37.369  5.4391  806.939    213.689  625.549    359.592  905.964    265.691  31.268  9.6511  39.149  6.4935  -7.881149      11.63231  
1 1 1 -16 59  22 o 27.576  8.1414  477.802    259.924  375.661    446.679  530.094    319.608  26.456  10.483  28.764  9.1317  -2.308323      13.90272  
1 1 1 -16 59  23 o 30.476  9.8468  620.712    370.383  319.051    467.445  1129.59    607.127  25.576  10.510  38.534  12.617  -12.95783      16.42145  
1 1 1 -16 59  24 o 48.289  7.3413  1443.66    371.874  1116.03    514.446  1802.21    538.176  38.772  11.456  51.465  10.015  -12.69228      15.21629  
1 1 1 -16 59  25 o 44.679  1.6661  1089.06    80.625   1120.28    81.840   61.291     469.572  45.314  1.6675  21.761  9.7284  23.55352       9.870266  
1 1 1 -16 59  26 o 45.021  7.8038  1308.11    366.746  1009.51    533.298  1576.03    505.160  35.318  11.835  46.883  10.235  -11.56565      15.64722  
1 1 1 -16 60  1  o 75.973  3.4132  3139.08    280.864  3162.71    323.346  3066.47    566.850  76.106  3.9361  74.239  7.1376  1.866180       8.150947  
1 1 1 -16 60  2  o 109.697 4.2756  6560.08    508.000  6556.50    674.701  6564.76    771.913  109.237 5.7225  109.060 6.5654  0.1777802      8.709281  
1 1 1 -16 60  3  o 101.488 2.7528  5593.33    302.590  5457.56    334.250  6209.94    712.293  100.214 3.0795  106.160 6.2220  -5.946175      6.942349  
1 1 1 -16 60  4  o 100.593 2.7182  5494.95    296.150  5330.56    347.805  5928.41    564.759  99.020  3.2430  104.146 5.0067  -5.125923      5.965238  
1 1 1 -16 60  5  o 30.287  4.5394  511.457    144.322  402.886    191.111  655.546    220.163  26.542  6.6590  34.036  6.2006  -7.494543      9.098900  
1 1 1 -16 60  6  o 14.843  5.8646  67.447     139.417  33.613     201.706  98.398     192.918  16.395  6.8358  17.537  6.9082  -1.141224      9.718622  
1 1 1 -16 60  7  o 62.785  2.4288  2139.92    165.162  2289.53    301.101  2075.53    197.531  64.632  4.3262  61.797  2.9512  2.834366       5.236968  
1 1 1 -16 60  8  o 91.999  2.9487  4600.85    293.823  4417.00    415.279  4785.15    415.779  89.959  4.2621  93.661  4.0986  -3.701401      5.913045  
1 1 1 -16 60  9  o 37.105  1.7878  746.680    71.849   662.853    237.577  755.119    75.379   34.077  6.6756  37.311  1.8653  -3.233829      6.931258  
1 1 1 -16 60  10 o 86.856  2.9211  4102.36    274.799  4105.52    389.098  4099.22    388.151  86.708  4.1431  86.643  4.1362  0.6536865E-01  5.854333  
1 1 1 -16 60  11 o 42.361  3.8426  987.032    174.387  1022.26    241.314  948.528    252.291  42.823  5.3172  41.107  5.8299  1.716114       7.890514  
1 1 1 -16 60  12 o 58.068  3.2673  1842.53    204.660  1730.12    283.664  1964.57    295.570  55.987  4.7219  59.711  4.6058  -3.723171      6.596189  
1 1 1 -16 60  13 o 73.855  3.1731  2971.91    253.822  3373.09    368.475  2609.65    350.143  78.354  4.3591  68.798  4.7276  9.556519       6.430583  
1 1 1 -16 60  14 o 84.161  3.0315  3859.26    276.333  4183.17    402.037  3569.22    380.444  87.366  4.2487  80.558  4.3767  6.808556       6.099724  
1 1 1 -16 60  15 o 74.144  3.2492  3000.02    260.933  3556.86    374.809  2476.32    363.482  80.386  4.3207  66.820  5.0598  13.56589       6.653598  
1 1 1 -16 60  16 f 39.649  4.7757  878.690    200.962  960.061    296.917  809.904    272.994  40.809  6.9676  37.399  6.9966  3.410000       9.874212  
1 1 1 -16 60  17 o 28.556  6.2913  473.560    189.332  643.195    274.747  320.158    261.272  32.972  7.8130  24.288  8.2833  8.683582       11.38672  
1 1 1 -16 60  18 o 101.140 3.1769  5593.51    348.011  6055.31    505.615  5177.79    479.729  104.746 4.4567  96.811  4.5751  7.935486       6.386985  
1 1 1 -16 60  19 f 41.721  4.8117  978.894    213.445  841.575    310.958  1101.24    293.512  37.518  7.9018  43.706  6.3890  -6.187794      10.16162  
1 1 1 -16 60  20 o 45.398  4.3224  1154.99    209.969  1370.43    321.345  994.496    277.366  48.656  6.2416  41.272  6.4131  7.384144       8.949039  
1 1 1 -16 60  21 o 30.187  7.1341  556.523    229.564  594.357    353.100  528.823    302.132  30.406  9.5924  28.945  8.8315  1.460922       13.03880  
1 1 1 -16 60  22 o 84.372  4.0450  3978.82    369.651  4967.02    626.846  3451.98    457.702  92.059  6.3251  77.420  5.4940  14.63946       8.377996  
1 1 1 -16 60  23 o 75.610  5.4820  3312.98    445.891  3579.20    606.894  3000.71    657.286  76.600  7.4074  68.209  9.1257  8.391098       11.75366  
1 1 1 -16 60  24 o 63.240  6.4802  2405.01    437.596  2441.83    567.956  2351.22    686.456  61.306  8.8062  56.923  11.529  4.383644       14.50780  
1 1 1 -16 60  25 o 32.243  9.5097  728.812    354.791  616.104    495.442  847.449    508.306  29.230  11.193  33.065  11.541  -3.834908      16.07710  
1 1 1 -16 60  26 o 32.122  9.3471  726.915    344.828  705.116    503.765  746.134    473.007  30.348  11.361  31.205  11.112  -0.8568172     15.89177  
1 1 1 -16 61  1  o 160.210 5.3739  14053.08   932.496  13839.07   1434.40  14209.73   1227.21  157.529 8.4376  160.468 7.0609  -2.939133      11.00224  
1 1 1 -16 61  2  o 56.210  2.7999  1716.17    170.459  1694.11    181.541  1880.48    495.461  55.754  3.0175  57.676  8.1590  -1.922657      8.699078  
1 1 1 -16 61  3  o 101.345 2.7107  5577.85    297.541  5312.03    328.098  6808.82    706.040  98.862  3.0641  111.244 5.8807  -12.38174      6.631094  
1 1 1 -16 61  4  o 203.059 4.1556  22480.28   913.961  21753.15   1069.30  24451.80   1760.73  199.468 4.9495  210.046 7.7394  -10.57799      9.186709  
1 1 1 -16 61  5  o 155.453 3.1559  13139.13   531.370  12860.38   669.326  13614.29   873.875  153.605 4.0231  157.730 5.1152  -4.125366      6.507772  
1 1 1 -16 61  6  o 107.763 3.0065  6312.54    350.917  6252.06    496.980  6372.67    495.566  107.040 4.2867  108.077 4.2335  -1.037613      6.024788  
1 1 1 -16 61  7  o 38.181  4.0874  804.038    166.403  977.422    241.878  648.237    229.286  41.874  5.4633  33.745  6.5093  8.129307       8.498147  
1 1 1 -16 61  8  o 103.848 2.9892  5864.19    336.224  6208.16    469.604  5502.40    481.607  106.666 4.0648  100.349 4.4311  6.316795       6.013054  
1 1 1 -16 61  9  o 95.579  3.4620  4975.64    358.394  4880.91    432.710  5182.60    639.590  94.533  4.2261  96.775  6.1337  -2.242073      7.448622  
1 1 1 -16 61  10 o 69.117  3.1791  2600.23    237.987  2380.30    329.797  2839.20    343.767  65.780  4.6591  71.919  4.4348  -6.139465      6.432333  
1 1 1 -16 61  11 o 11.944  5.3628  -65.9297   144.345  -153.4514  181.700  83.793     237.652  12.299  5.7059  18.559  7.5450  -6.259060      9.459561  
1 1 1 -16 61  12 o 80.479  2.7071  3522.52    235.967  3575.71    388.536  3491.44    297.018  80.671  4.4641  80.021  3.4270  0.6504211      5.627826  
1 1 1 -16 61  13 o 42.216  1.7192  966.957    78.609   822.448    237.229  984.781    83.316   38.127  5.9380  42.599  1.8057  -4.472248      6.206458  
1 1 1 -16 61  14 o 26.625  5.8689  407.780    164.687  392.556    245.068  420.317    222.387  26.203  7.9448  26.917  7.3989  -0.7137699     10.85650  
1 1 1 -16 61  15 o 84.611  3.1393  3905.84    287.697  4024.01    428.670  3808.98    388.082  85.386  4.6528  83.174  4.3228  2.211502       6.350964  
1 1 1 -16 61  16 o 63.556  3.4853  2216.16    239.006  2204.96    344.667  2226.54    331.717  62.934  5.1003  63.317  4.8745  -0.3832817     7.055018  
1 1 1 -16 61  17 f 66.299  3.5077  2413.12    250.989  2448.94    367.236  2381.71    343.825  66.277  5.1563  65.452  4.8852  0.8254623      7.103045  
1 1 1 -16 61  18 o 56.988  3.7249  1790.87    228.652  1951.81    348.824  1669.62    302.770  58.887  5.5340  54.557  5.1862  4.330414       7.584326  
1 1 1 -16 61  19 o 67.036  3.5950  2478.47    260.068  2464.80    409.712  2487.70    336.566  65.911  5.7982  66.743  4.6855  -0.8322296     7.454768  
1 1 1 -16 61  20 o 17.618  6.7420  135.115    179.688  152.364    276.701  122.537    236.290  20.353  8.1883  18.791  7.5642  1.562565       11.14743  
1 1 1 -16 61  21 o 37.065  6.3522  816.401    245.834  583.712    361.937  1015.69    334.953  30.057  9.7363  40.528  7.9146  -10.47056      12.54731  
1 1 1 -16 61  22 o 16.924  7.7510  -136.1345  320.350  -301.5036  422.691  87.039     491.040  17.968  8.4543  23.161  10.171  -5.193197      13.22550  
1 1 1 -16 61  23 o 27.945  9.9031  508.399    375.280  792.820    466.852  -11.0327   630.904  33.350  11.071  24.033  10.958  9.316732       15.57686  
1 1 1 -16 61  24 o 34.048  9.5236  799.153    364.959  590.489    488.898  1061.78    548.486  29.195  11.133  36.965  11.987  -7.769613      16.35938  
1 1 1 -16 61  25 o 26.014  9.8377  444.680    379.747  137.419    481.249  951.697    618.197  22.627  9.9969  33.757  12.596  -11.13000      16.08101  
1 1 1 -16 61  26 o 30.896  9.6102  680.366    355.770  162.040    500.341  1210.43    505.974  23.034  10.184  39.625  11.259  -16.59159      15.18187  
1 1 1 -16 62  1  o 96.882  4.4092  5122.85    462.676  5049.11    632.614  5207.65    678.431  95.647  6.1390  97.036  6.4926  -1.388847      8.935389  
1 1 1 -16 62  2  o 28.294  1.2861  433.826    39.412   477.948    52.338   376.042    59.896   29.647  1.6363  26.242  2.1256  3.405220       2.682468  
1 1 1 -16 62  3  o 67.884  2.5395  2502.12    186.720  2487.32    198.326  2617.62    553.966  67.671  2.7059  68.334  7.6142  -0.6631775     8.080671  
1 1 1 -16 62  4  o 80.385  2.6527  3509.48    230.954  3495.83    250.051  3588.73    602.548  80.208  2.8783  80.313  6.9967  -0.1057587     7.565628  
1 1 1 -16 62  5  o 33.166  4.5582  611.860    159.411  497.975    230.539  716.201    220.668  29.426  7.2746  35.649  5.9230  -6.222414      9.380952  
1 1 1 -16 62  6  f 15.561  3.1091  136.347    50.568   640.662    214.228  106.589    52.039   33.623  6.1076  13.730  3.4914  19.89239       7.035117  
1 1 1 -16 62  7  o 31.539  4.8442  556.692    160.188  713.069    235.207  421.414    218.765  35.449  6.3596  27.105  7.2921  8.344582       9.675707  
1 1 1 -16 62  8  o 114.803 2.9846  7167.64    371.119  7016.98    527.029  7315.82    522.680  113.335 4.2934  115.752 4.1691  -2.416817      5.984486  
1 1 1 -16 62  9  o 72.555  3.6636  2876.97    286.972  3112.45    347.046  2367.82    510.308  75.354  4.2697  64.866  7.3957  10.48796       8.539762  
1 1 1 -16 62  10 o 88.863  3.0120  4296.85    289.901  3803.21    404.423  4818.60    415.777  83.242  4.5023  93.917  4.0874  -10.67455      6.080942  
1 1 1 -16 62  11 o 108.050 2.9712  6353.99    347.712  6152.50    500.913  6541.37    483.053  106.019 4.3622  109.392 4.0770  -3.372726      5.970833  
1 1 1 -16 62  12 f 76.841  2.7667  3212.53    230.263  3582.97    380.212  2997.97    289.364  80.758  4.3630  74.110  3.6049  6.647827       5.659586  
1 1 1 -16 62  13 o 63.494  2.6284  2193.33    180.760  2063.55    339.839  2244.53    213.460  60.974  5.1954  64.178  3.0709  -3.203560      6.035108  
1 1 1 -16 62  14 o 66.151  2.6615  2381.89    190.691  2259.89    382.635  2422.20    219.952  63.652  5.6073  66.656  3.0466  -3.003368      6.381557  
1 1 1 -16 62  15 o 53.553  3.7044  1577.21    213.548  1755.55    329.788  1448.45    280.232  56.018  5.5066  50.942  5.1496  5.076134       7.539313  
1 1 1 -16 62  16 o 37.339  4.6931  780.596    185.605  921.617    279.189  668.908    248.461  40.019  6.6763  33.873  7.0036  6.146278       9.675873  
1 1 1 -16 62  17 o 44.363  4.2768  1093.39    202.954  1174.36    308.789  1031.81    269.288  45.289  6.4797  42.566  6.0080  2.723537       8.836459  
1 1 1 -16 62  18 o 38.470  5.2182  838.533    211.815  1088.37    362.993  709.544    260.824  42.747  8.1374  34.681  7.1800  8.065620       10.85218  
1 1 1 -16 62  19 o 26.264  6.9378  411.518    200.299  612.386    298.376  246.745    270.241  31.572  8.5256  22.328  8.3288  9.244146       11.91862  
1 1 1 -16 62  20 o 18.675  6.9212  170.937    186.022  68.404     297.552  236.723    238.341  19.289  8.1873  21.337  7.8476  -2.048428      11.34087  
1 1 1 -16 62  21 o 47.167  5.4729  1285.83    274.394  1132.76    473.970  1363.00    336.524  40.893  10.610  47.880  6.6704  -6.986675      12.53260  
1 1 1 -16 62  22 o 22.199  9.1293  196.102    352.986  106.041    435.286  369.076    603.247  22.370  9.7031  27.722  11.706  -5.351475      15.20455  
1 1 1 -16 62  23 o 25.824  9.4476  413.872    344.786  491.054    460.259  315.172    520.477  27.845  10.756  25.834  10.889  2.010883       15.30539  
1 1 1 -16 62  24 o 15.073  7.2770  -421.8731  357.925  -570.1763  441.322  -136.8331  611.833  16.143  7.8601  22.306  10.389  -6.162960      13.02741  
1 1 1 -16 62  25 o 18.994  8.4360  21.110     347.087  148.985    463.926  -141.4620  523.093  22.538  9.8916  20.663  9.6180  1.875057       13.79671  
1 1 1 -16 63  1  o 62.553  4.9955  2154.75    335.632  1982.48    444.963  2382.14    511.211  59.490  7.0424  65.187  7.3700  -5.696312      10.19370  
1 1 1 -16 63  2  o 41.982  7.0150  998.991    307.720  952.291    420.453  1052.86    451.577  40.356  9.7322  42.395  9.9969  -2.039612      13.95188  
1 1 1 -16 63  3  f 39.825  3.7578  871.665    160.175  856.112    170.927  983.750    458.866  39.416  4.0620  40.917  10.347  -1.501534      11.11613  
1 1 1 -16 63  4  o 54.330  1.5123  1600.10    88.991   1567.69    122.744  1636.03    129.211  53.751  2.1083  54.907  2.1727  -1.155689      3.027504  
1 1 1 -16 63  5  o 153.565 3.3269  12834.37   553.358  12205.69   778.594  13476.04   786.600  149.354 4.8131  156.995 4.6259  -7.641495      6.675690  
1 1 1 -16 63  6  f 123.485 3.0646  8293.64    409.878  7938.23    579.481  8649.48    579.828  120.526 4.4390  125.856 4.2536  -5.329903      6.148022  
1 1 1 -16 63  7  o 98.069  2.9904  5230.38    317.639  5395.12    449.479  5066.05    448.940  99.402  4.1749  96.298  4.3043  3.103912       5.996356  
1 1 1 -16 63  8  o 43.760  3.9209  1053.05    183.868  1024.62    255.384  1083.64    264.935  42.811  5.6454  44.036  5.6876  -1.225357      8.013682  
1 1 1 -16 63  9  o 118.091 3.5697  7601.96    456.584  7808.85    553.240  7160.08    808.532  119.517 4.2738  113.531 6.6038  5.986320       7.866089  
1 1 1 -16 63  10 o 101.160 2.8880  5567.42    316.434  5824.08    464.503  5345.18    432.246  103.214 4.1551  98.906  4.0350  4.307938       5.791883  
1 1 1 -16 63  11 o 43.640  4.3362  1052.72    202.243  833.769    289.588  1261.20    282.571  38.058  7.2908  47.511  5.5987  -9.452553      9.192423  
1 1 1 -16 63  12 o 68.522  3.3200  2560.60    246.399  2612.18    347.573  2508.49    349.356  68.816  4.6912  67.397  4.8176  1.419380       6.724317  
1 1 1 -16 63  13 o 156.413 3.4819  13360.21   589.880  13023.75   837.508  13691.43   830.963  153.738 5.0297  157.717 4.8645  -3.979233      6.997170  
1 1 1 -16 63  14 o 73.787  2.7658  2965.40    221.037  3036.70    384.667  2930.25    270.077  74.092  4.8196  73.241  3.4046  0.8511124      5.900813  
1 1 1 -16 63  15 o 26.981  6.7374  424.405    196.291  526.521    274.583  317.677    280.715  29.871  8.2258  24.540  8.5759  5.330666       11.88319  
1 1 1 -16 63  16 o 11.994  5.6557  -203.0393  191.033  -208.1418  276.087  -198.3524  264.603  15.239  7.0568  14.946  6.9168  0.2925501      9.881308  
1 1 1 -16 63  17 o 53.197  2.4649  1541.72    142.023  1567.16    374.081  1537.44    153.518  52.253  6.7688  53.027  2.6816  -0.7747536     7.280692  
1 1 1 -16 63  18 o 39.497  5.5371  889.760    230.362  916.596    342.615  867.618    311.208  38.961  8.3687  38.118  7.8007  0.8429985      11.44058  
1 1 1 -16 63  19 o 29.995  6.4329  533.338    202.724  434.160    338.016  589.052    253.346  27.185  9.4156  31.145  7.5815  -3.960098      12.08858  
1 1 1 -16 63  20 o 86.551  3.3128  4134.75    310.557  4672.21    475.512  3734.98    410.101  90.920  4.8462  81.387  4.6718  9.532471       6.731415  
1 1 1 -16 63  21 o 32.067  7.4185  635.448    252.540  237.142    386.335  932.630    333.708  23.543  9.6011  38.524  8.2466  -14.98112      12.65649  
1 1 1 -16 63  22 o 32.601  9.2514  703.669    341.824  702.449    450.741  705.320    524.402  31.899  10.880  31.841  11.651  0.5758286E-01  15.94108  
1 1 1 -16 63  23 f 27.897  10.122  513.049    394.612  942.060    506.528  -149.3601  629.408  35.585  11.517  22.736  10.572  12.84883       15.63363  
1 1 1 -16 63  24 o 28.324  9.8753  551.554    372.123  690.868    518.430  403.491    534.459  30.601  11.512  26.562  11.105  4.038860       15.99552  
1 1 1 -16 63  25 o 26.836  9.8617  486.863    376.273  653.279    529.934  317.660    534.353  29.721  11.524  25.292  10.859  4.428568       15.83427  
1 1 1 -16 64  1  o 77.147  4.5777  3264.71    380.798  2715.48    510.624  3952.90    571.575  69.764  6.8459  84.463  6.2931  -14.69840      9.298891  
1 1 1 -16 64  2  o 100.212 4.5373  5488.96    492.479  5393.57    686.154  5590.31    707.267  98.676  6.4557  100.438 6.5371  -1.762299      9.187493  
1 1 1 -16 64  3  o 43.531  3.5335  1038.68    165.158  953.495    176.679  1628.74    464.987  41.627  3.9666  53.443  8.3025  -11.81520      9.201433  
1 1 1 -16 64  4  o 150.601 2.9794  12332.69   485.983  11841.98   625.009  13083.04   772.866  147.358 3.9160  154.678 4.6132  -7.320374      6.051200  
1 1 1 -16 64  5  o 110.398 2.9690  6627.36    355.006  6618.97    516.063  6634.89    489.126  110.076 4.3285  110.258 4.0958  -0.1820755     5.959193  
1 1 1 -16 64  6  o 11.842  2.0840  78.343     25.753   76.555     25.963   187.444    202.813  11.696  2.1278  20.050  7.2595  -8.353411      7.564893  
1 1 1 -16 64  7  o 116.276 3.0128  7354.54    379.423  7077.10    530.214  7645.72    543.192  113.799 4.3017  118.298 4.2394  -4.498756      6.039676  
1 1 1 -16 64  8  o 110.416 2.9539  6632.03    353.262  6123.31    489.269  7186.05    510.589  105.840 4.2680  114.696 4.1101  -8.855934      5.925287  
1 1 1 -16 64  9  o 56.130  3.3873  1722.96    204.966  1644.02    281.967  1811.41    298.468  54.549  4.8221  57.271  4.8574  -2.721783      6.844523  
1 1 1 -16 64  10 o 82.134  3.0486  3672.95    271.204  3628.40    378.398  3720.02    388.898  81.306  4.3123  82.312  4.3779  -1.006058      6.145067  
1 1 1 -16 64  11 o 69.842  3.2249  2658.67    243.951  2434.48    340.247  2895.83    349.955  66.420  4.7612  72.544  4.4758  -6.123932      6.534635  
1 1 1 -16 64  12 o 40.005  4.5437  889.467    193.383  557.721    264.511  1270.39    283.438  30.875  7.8827  47.629  5.6013  -16.75449      9.670127  
1 1 1 -16 64  13 o 125.534 3.2201  8597.60    437.830  8523.01    619.926  8671.83    618.446  124.512 4.5968  125.615 4.5456  -1.103172      6.464767  
1 1 1 -16 64  14 o 89.184  3.1498  4340.87    304.260  4425.47    440.439  4263.64    420.808  89.562  4.5554  87.948  4.4318  1.613457       6.355535  
1 1 1 -16 64  15 o 113.137 3.2210  6992.34    394.696  6941.11    556.502  7044.18    559.883  112.228 4.5782  113.061 4.5721  -0.8327560     6.470232  
1 1 1 -16 64  16 o 128.691 3.3711  9061.66    469.885  9619.03    675.558  8539.29    654.000  131.938 4.7274  124.242 4.8600  7.695938       6.779979  
1 1 1 -16 64  17 o 51.536  2.5001  1447.76    139.553  1627.02    359.878  1416.03    151.400  53.370  6.3504  50.859  2.7588  2.510677       6.923717  
1 1 1 -16 64  18 o 34.746  5.9860  700.166    217.146  906.938    337.660  554.346    283.558  38.645  8.3138  30.169  8.3790  8.475931       11.80366  
1 1 1 -16 64  19 o 25.967  7.4118  408.224    218.740  147.347    354.361  568.820    278.032  21.897  9.0893  30.295  8.2504  -8.397997      12.27532  
1 1 1 -16 64  20 o 49.118  4.9862  1377.04    261.590  1500.67    408.600  1291.18    340.524  49.530  7.8806  46.450  6.9847  3.080223       10.53039  
1 1 1 -16 64  21 o 27.154  8.8250  464.286    297.223  267.409    374.487  799.410    488.586  23.804  9.5437  33.903  11.329  -10.09874      14.81277  
1 1 1 -16 64  22 o 33.814  9.7646  774.279    377.607  159.229    481.879  1752.83    607.819  23.638  10.231  49.557  11.539  -25.91850      15.42188  
1 1 1 -16 64  23 o 48.306  6.8426  1424.14    347.999  1107.13    450.891  1891.19    547.287  39.599  10.385  52.751  9.9435  -13.15224      14.37759  
1 1 1 -16 64  24 o 18.387  8.3262  -52.1112   356.582  15.947     445.241  -173.8406  595.461  20.881  9.3935  21.658  10.140  -0.7763462     13.82248  
1 1 1 -16 64  25 o 22.326  9.0376  254.731    339.341  370.205    462.744  120.388    499.119  25.356  10.443  22.720  10.102  2.636749       14.52966  
1 1 1 -16 65  1  o 152.190 4.8786  12682.66   804.171  13121.82   1124.73  12223.36   1150.23  154.035 6.7416  148.475 7.1526  5.560532       9.828957  
1 1 1 -16 65  2  o 176.467 5.2647  17081.94   1006.25  17323.62   1417.55  16836.48   1428.61  176.609 7.4106  174.008 7.5801  2.601242       10.60073  
1 1 1 -16 65  3  o 39.171  3.8463  844.553    161.077  868.166    172.417  682.560    451.602  39.682  4.0691  34.561  10.840  5.121510       11.57868  
1 1 1 -16 65  4  o 14.718  5.5194  89.112     118.991  11.449     158.124  190.512    180.681  14.184  5.9915  19.633  6.8792  -5.448817      9.122528  
1 1 1 -16 65  5  o 125.127 3.0973  8518.30    419.762  8414.21    590.209  8624.84    597.119  124.071 4.3920  125.616 4.3888  -1.544159      6.208982  
1 1 1 -16 65  6  o 162.249 3.6091  14348.48   634.228  14566.05   932.010  14160.83   865.542  162.877 5.2831  160.721 4.9722  2.155884       7.254932  
1 1 1 -16 65  7  o 67.513  2.9451  2479.42    215.358  2367.26    296.832  2604.06    312.929  65.689  4.1939  68.905  4.2133  -3.215233      5.944785  
1 1 1 -16 65  8  o 79.141  3.5340  3414.84    302.925  3682.20    537.797  3290.60    366.616  81.413  6.1442  77.427  4.3898  3.985931       7.551269  
1 1 1 -16 65  9  o 87.595  2.7413  4173.14    260.085  4087.61    403.712  4233.83    340.056  86.421  4.3130  88.100  3.5637  -1.679222      5.594855  
1 1 1 -16 65  10 o 108.409 3.0321  6400.00    356.019  6118.92    497.719  6694.49    509.460  105.693 4.3478  110.579 4.2537  -4.885994      6.082501  
1 1 1 -16 65  11 o 36.802  4.8256  756.719    187.715  919.768    260.958  581.885    270.224  40.283  6.1782  31.540  7.9211  8.742996       10.04563  
1 1 1 -16 65  12 o 69.409  3.3807  2629.72    254.153  2424.36    363.336  2826.47    355.641  66.124  5.1129  71.575  4.6121  -5.451736      6.885738  
1 1 1 -16 65  13 o 113.232 3.1811  6996.40    390.135  7237.36    553.704  6758.83    549.785  114.750 4.4551  110.845 4.5794  3.904510       6.388916  
1 1 1 -16 65  14 o 68.384  3.3969  2556.17    251.598  2549.91    368.397  2561.65    344.437  67.744  5.0573  68.016  4.7044  -0.2721481     6.907104  
1 1 1 -16 65  15 o 46.034  1.9747  1151.46    98.460   747.660    302.984  1199.14    104.111  35.535  8.0577  46.972  2.0464  -11.43610      8.313454  
1 1 1 -16 65  16 o 98.645  3.2264  5322.93    344.716  4826.21    501.253  5768.65    474.823  93.164  4.9856  102.303 4.2852  -9.139191      6.574149  
1 1 1 -16 65  17 o 41.219  2.3372  928.696    103.913  1192.88    371.616  906.288    108.230  44.832  7.9439  40.696  2.4671  4.135780       8.318184  
1 1 1 -16 65  18 o 65.168  3.8358  2354.29    269.556  2479.18    421.883  2268.14    350.410  65.821  5.9831  63.379  5.1491  2.441338       7.893716  
1 1 1 -16 65  19 o 59.350  4.1828  1972.45    267.157  1886.40    397.297  2043.47    360.948  56.688  6.5939  59.620  5.6573  -2.932251      8.688228  
1 1 1 -16 65  20 o 16.321  7.0213  20.030     224.182  -129.8783  398.828  89.273     271.057  19.121  8.7156  18.861  7.8992  0.2593632      11.76265  
1 1 1 -16 65  21 o 50.318  6.7042  1513.89    356.284  1455.52    434.501  1633.68    622.454  47.862  8.7022  47.556  12.065  0.3062096      14.87618  
1 1 1 -16 65  22 o 22.957  8.7376  290.024    300.783  235.943    379.758  381.059    492.706  23.060  9.4746  26.504  10.829  -3.443661      14.38900  
1 1 1 -16 65  23 o 46.800  7.5304  1371.47    368.761  1318.67    449.264  1480.49    645.588  43.966  9.6950  42.897  12.870  1.069759       16.11304  
1 1 1 -16 65  24 o 27.008  9.1785  489.139    320.786  357.730    410.901  694.224    513.323  24.881  9.9894  30.583  11.465  -5.701202      15.20630  
1 1 1 -16 66  1  o 59.434  2.6267  1919.40    169.087  1496.16    424.345  1999.29    184.355  51.248  7.8986  60.644  2.8067  -9.395412      8.382466  
1 1 1 -16 66  2  o 91.627  4.5696  4592.68    453.491  4235.98    629.497  4977.54    653.864  87.251  6.7128  94.726  6.4108  -7.475121      9.282232  
1 1 1 -16 66  3  o 71.450  2.9825  2776.69    230.807  2735.10    254.267  2971.36    550.144  70.877  3.3122  72.875  7.0584  -1.997993      7.796871  
1 1 1 -16 66  4  o 68.629  2.9036  2561.30    215.832  2704.74    300.566  2408.60    310.123  70.289  3.9642  66.242  4.3465  4.046280       5.882822  
1 1 1 -16 66  5  o 75.060  3.0783  3065.70    250.262  2711.08    354.144  3419.44    353.703  70.215  4.6836  79.013  4.1475  -8.797958      6.256043  
1 1 1 -16 66  6  o 64.057  2.3821  2228.74    165.274  2293.61    194.920  2062.78    311.755  64.949  2.7708  61.183  4.7415  3.766083       5.491756  
1 1 1 -16 66  7  o 47.876  3.4227  1255.47    176.314  1297.44    241.746  1207.78    257.709  48.445  4.6649  46.609  5.1932  1.835663       6.980714  
1 1 1 -16 66  8  o 118.035 3.5414  7598.83    452.750  7581.38    801.809  7607.00    548.573  116.821 6.3609  117.902 4.2958  -1.080719      7.675624  
1 1 1 -16 66  9  o 134.004 3.2010  9784.22    464.595  9388.15    652.746  10190.88   661.412  130.838 4.6062  136.364 4.4782  -5.525650      6.424261  
1 1 1 -16 66  10 o 78.474  3.0800  3355.21    261.784  3437.77    363.354  3266.10    377.488  79.106  4.2565  77.023  4.5451  2.083260       6.226969  
1 1 1 -16 66  11 o 27.959  6.0639  449.787    178.343  397.917    244.860  508.393    260.274  26.367  7.9296  29.506  7.9606  -3.138853      11.23609  
1 1 1 -16 66  12 o 122.033 3.1853  8124.17    421.019  7850.61    602.303  8385.56    588.750  119.466 4.6548  123.572 4.3989  -4.105515      6.404467  
1 1 1 -16 66  13 o 153.731 3.4685  12919.56   577.532  12776.69   819.202  13060.73   814.327  152.130 4.9717  153.862 4.8865  -1.731445      6.971058  
1 1 1 -16 66  14 o 51.942  4.2144  1491.87    235.054  1530.08    345.113  1458.81    321.025  51.983  6.2552  50.850  5.9408  1.133060       8.626693  
1 1 1 -16 66  15 o 51.741  2.5585  1458.39    143.382  1722.19    317.467  1390.79    160.707  55.442  5.3533  50.393  2.9573  5.048588       6.115880  
1 1 1 -16 66  16 o 15.384  6.6331  -4.7825    200.999  34.686     294.356  -39.2626   275.127  19.066  8.1193  17.346  7.6151  1.719635       11.13162  
1 1 1 -16 66  17 o 75.859  3.5648  3165.43    292.894  3475.65    428.525  2893.46    401.249  78.731  5.0520  71.735  5.1996  6.995918       7.249698  
1 1 1 -16 66  18 o 18.326  7.0937  141.840    200.538  126.847    305.805  153.152    265.626  20.559  8.4810  20.129  8.0492  0.4302006      11.69262  
1 1 1 -16 66  19 o 38.477  5.6633  861.143    228.954  1039.33    357.095  736.767    298.346  40.847  8.3533  34.359  8.1417  6.487850       11.66467  
1 1 1 -16 66  20 o 36.610  2.4014  736.686    94.694   969.843    398.184  722.709    97.491   38.466  9.5905  36.237  2.4992  2.229179       9.910835  
1 1 1 -16 66  21 o 28.016  8.8477  503.632    300.341  119.042    381.373  1131.64    487.342  21.551  9.2112  40.243  10.908  -18.69246      14.27683  
1 1 1 -16 66  22 o 38.127  8.5617  944.872    344.911  966.781    415.602  896.393    618.227  37.407  10.045  34.199  12.629  3.207817       16.13682  
1 1 1 -16 66  23 o 35.309  8.6590  827.982    328.623  721.993    419.789  995.741    528.133  31.731  10.497  35.970  11.767  -4.238844      15.76859  
1 1 1 -16 66  24 o 41.276  8.4363  1118.80    364.417  1164.10    442.638  1023.51    641.998  40.530  10.115  35.001  12.879  5.528912       16.37620  
1 1 1 -16 67  1  o 82.949  4.5279  3775.77    405.262  3701.08    548.935  3865.25    600.827  81.637  6.2558  83.282  6.7180  -1.645363      9.179635  
1 1 1 -16 67  2  o 38.592  7.5262  856.036    303.287  814.454    414.882  903.762    444.472  37.198  10.057  39.101  10.338  -1.902847      14.42237  
1 1 1 -16 67  3  o 35.675  3.3697  699.301    128.662  556.064    168.191  901.370    199.768  31.447  5.1138  40.315  4.6609  -8.868397      6.919190  
1 1 1 -16 67  4  o 25.651  5.1165  373.566    137.167  424.032    186.115  313.560    202.944  27.162  6.4266  23.678  7.2408  3.483931       9.681460  
1 1 1 -16 67  5  o 17.552  1.6528  168.562    31.051   209.530    205.401  167.604    31.412   20.676  7.3265  17.499  1.6779  3.176861       7.516186  
1 1 1 -16 67  6  o 65.683  2.2428  2342.85    159.558  2549.15    185.172  1748.05    314.427  68.491  2.4962  56.162  5.2291  12.32951       5.794357  
1 1 1 -16 67  7  o 74.360  2.5600  3005.71    206.184  3181.37    347.295  2910.09    256.225  76.144  4.2277  73.087  3.2368  3.057182       5.324506  
1 1 1 -16 67  8  o 58.230  5.0992  1878.25    318.359  2194.33    449.403  1559.83    451.056  62.479  6.7482  52.052  8.2777  10.42615       10.67981  
1 1 1 -16 67  9  o 40.382  4.1496  901.786    178.911  951.479    241.653  841.505    266.156  41.165  5.5624  38.382  6.6428  2.782749       8.664160  
1 1 1 -16 67  10 f 85.213  3.0753  3957.07    283.833  3692.58    399.219  4227.42    403.617  81.901  4.5179  87.828  4.2429  -5.927460      6.197895  
1 1 1 -16 67  11 f 50.842  3.8519  1422.34    210.538  1463.51    294.366  1379.22    301.245  51.198  5.3893  49.594  5.7125  1.604053       7.853525  
1 1 1 -16 67  12 o 31.596  6.0057  572.459    198.011  821.639    284.596  338.652    275.678  37.637  7.2444  25.033  8.5088  12.60392       11.17501  
1 1 1 -16 67  13 o 52.992  3.7582  1545.49    214.305  1542.21    306.833  1548.62    299.449  52.470  5.4799  52.628  5.3267  -0.1571808     7.642203  
1 1 1 -16 67  14 o 42.080  4.8890  990.743    218.671  1013.16    316.235  970.200    302.704  41.804  7.2470  40.946  7.0818  0.8577423      10.13268  
1 1 1 -16 67  15 o 32.996  5.8518  625.406    201.478  756.775    275.762  474.983    295.084  35.881  7.3431  28.416  8.7380  7.464781       11.41376  
1 1 1 -16 67  16 o 42.483  5.0440  1017.82    227.555  1013.70    330.365  1021.53    313.890  41.392  7.6507  41.747  7.2022  -0.3544693     10.50741  
1 1 1 -16 67  17 o 25.771  7.3156  396.986    213.705  404.261    343.172  392.377    273.128  26.687  9.4686  25.840  8.4628  0.8469086      12.69932  
1 1 1 -16 67  18 o 62.456  3.9017  2172.55    262.615  2195.68    402.866  2155.46    346.306  61.576  6.1217  61.531  5.2464  0.4472351E-01  8.062273  
1 1 1 -16 67  19 o 46.238  5.4035  1231.03    265.506  1152.42    429.465  1279.66    337.793  42.180  9.6144  46.298  6.9509  -4.118496      11.86389  
1 1 1 -16 67  20 o 30.225  8.9243  588.417    312.305  732.797    459.219  464.179    425.984  32.794  10.983  27.753  10.436  5.041143       15.15039  
1 1 1 -16 67  21 o 48.794  6.5274  1423.51    336.321  1148.42    434.850  1833.04    530.563  41.334  9.8526  52.787  9.6349  -11.45301      13.78063  
1 1 1 -16 67  22 o 22.051  8.6645  247.732    302.752  540.124    382.897  -239.9796  494.515  28.422  10.010  19.750  9.2449  8.672342       13.62635  
1 1 1 -16 67  23 o 29.894  9.4382  614.271    341.783  807.111    410.151  176.070    618.274  33.534  10.300  24.974  11.164  8.560444       15.18967  
1 1 1 -16 67  24 o 24.104  9.0014  355.698    315.830  365.840    403.949  339.750    506.578  24.972  9.9457  25.494  10.744  -0.5222301     14.64075  
1 1 1 -16 68  1  o ?       ?       -109.2686  18.613   -170.2151  24.230   -21.5251   29.073   ?       ?       5.0690  2.3265  0.000000       2.326508  
1 1 1 -16 68  2  o 66.023  5.1362  2407.90    364.396  2090.51    501.896  2761.72    529.910  60.693  7.8167  70.149  7.0709  -9.456142      10.54031  
1 1 1 -16 68  3  o 65.060  2.6111  2300.73    183.993  2219.42    235.979  2426.79    293.846  63.724  3.4316  66.517  4.0986  -2.792892      5.345534  
1 1 1 -16 68  4  o 45.255  3.5427  1123.46    172.263  938.307    239.746  1321.07    247.683  40.926  5.5519  48.869  4.7390  -7.943432      7.299412  
1 1 1 -16 68  5  o 116.850 2.9988  7431.71    379.536  7663.82    531.586  7190.36    542.056  118.390 4.1456  114.615 4.3665  3.775246       6.020977  
1 1 1 -16 68  6  o 131.814 3.2066  9465.28    457.809  9704.09    643.200  9220.07    651.763  133.100 4.4617  129.678 4.6404  3.421967       6.437354  
1 1 1 -16 68  7  o 107.240 3.0410  6262.66    353.223  6374.51    499.757  6151.01    499.307  107.902 4.2762  105.973 4.3501  1.928596       6.099982  
1 1 1 -16 68  8  o 150.389 4.8358  12428.98   787.689  13144.36   1112.37  11709.48   1115.56  153.643 6.6844  144.751 7.1155  8.892258       9.762749  
1 1 1 -16 68  9  o 87.580  3.0270  4178.86    287.139  4094.38    402.864  4266.10    409.364  86.426  4.3037  88.225  4.2840  -1.798683      6.072446  
1 1 1 -16 68  10 o 13.263  1.6798  96.973     23.591   51.927     213.703  97.528     23.736   17.069  7.0695  13.301  1.6854  3.767325       7.267625  
1 1 1 -16 68  11 o 84.945  2.7749  3929.91    255.302  4269.16    396.737  3690.14    333.534  88.225  4.1518  82.120  3.7499  6.105324       5.594589  
1 1 1 -16 68  12 o 47.122  2.6881  1213.17    136.624  1902.41    318.777  1058.08    151.217  58.473  5.0840  43.912  3.2015  14.56151       6.008010  
1 1 1 -16 68  13 o 51.240  4.0880  1450.14    224.987  1293.61    319.243  1604.60    317.126  47.720  6.3330  53.494  5.5544  -5.773567      8.423667  
1 1 1 -16 68  14 o 23.911  7.0159  330.260    193.555  420.630    299.371  265.352    253.715  27.147  8.8585  22.792  8.1356  4.354622       12.02755  
1 1 1 -16 68  15 o 39.534  4.8712  879.046    204.167  983.000    295.290  783.836    282.598  41.144  6.8685  36.452  7.4102  4.691380       10.10389  
1 1 1 -16 68  16 o 22.994  7.2396  305.027    201.216  14.304     307.773  522.057    265.919  18.995  8.1990  29.387  8.0959  -10.39239      11.52249  
1 1 1 -16 68  17 o 47.923  4.5264  1291.53    232.160  1328.13    327.027  1254.35    329.637  47.705  6.4982  46.193  6.7913  1.512455       9.399405  
1 1 1 -16 68  18 f 24.753  7.3596  370.611    211.816  397.651    298.772  343.286    300.342  25.821  8.8574  24.592  8.8438  1.229595       12.51661  
1 1 1 -16 68  19 o 22.290  2.0390  273.288    48.680   453.668    423.060  270.867    49.006   27.732  10.406  22.186  2.0630  5.545832       10.60836  
1 1 1 -16 68  20 o 20.098  8.3386  129.612    298.063  -266.8332  375.246  807.358    490.634  17.099  8.0197  33.997  11.352  -16.89866      13.89926  
1 1 1 -16 68  21 o 30.884  8.8173  625.628    309.532  556.128    396.064  734.685    496.139  28.972  10.183  32.210  11.390  -3.238834      15.27805  
1 1 1 -16 68  22 o 45.055  7.6850  1275.17    361.571  1237.09    441.274  1352.96    630.737  42.577  9.7753  41.195  12.793  1.382336       16.10024  
1 1 1 -16 68  23 o 31.148  9.0415  657.837    323.001  772.513    413.361  478.029    517.605  32.801  10.382  27.548  11.158  5.252892       15.24109  
1 1 1 -16 69  1  o 85.743  4.6212  4040.79    427.580  4754.53    592.425  3264.73    617.747  92.599  5.9381  76.068  7.5996  16.53136       9.644436  
1 1 1 -16 69  2  o 97.610  4.0224  5206.94    425.253  5418.73    539.084  4858.02    691.924  99.199  5.0339  93.231  6.9012  5.968216       8.542072  
1 1 1 -16 69  3  o 8.2921  3.9476  -125.0188  97.417   -186.0923  128.696  -43.0687   149.078  9.2366  4.4348  12.606  5.5670  -3.369432      7.117486  
1 1 1 -16 69  4  o 96.217  2.8916  5037.65    301.338  4970.33    419.661  5109.30    432.961  95.349  4.0636  96.657  4.1357  -1.307564      5.797982  
1 1 1 -16 69  5  o 96.508  3.0146  5070.96    315.106  4862.86    439.864  5290.32    451.623  94.244  4.3092  98.316  4.2411  -4.071671      6.046161  
1 1 1 -16 69  6  o 30.057  5.2528  511.276    164.780  681.033    241.859  364.215    225.111  34.437  6.7257  25.320  7.6005  9.116478       10.14897  
1 1 1 -16 69  7  o 46.486  3.8613  1189.17    192.655  1332.85    275.099  1050.89    269.887  48.913  5.2762  43.201  5.9240  5.712612       7.932973  
1 1 1 -16 69  8  o 19.679  7.8129  125.968    248.557  14.120     349.606  240.290    353.450  20.558  8.8040  24.364  9.4213  -3.805662      12.89461  
1 1 1 -16 69  9  o 98.986  2.8669  5336.10    307.365  5297.48    448.901  5370.18    421.730  98.307  4.2159  99.058  3.9308  -0.7502136     5.764119  
1 1 1 -16 69  10 o 85.955  3.0322  4027.97    282.297  4121.92    391.093  3925.77    407.892  86.697  4.1649  84.414  4.4773  2.282745       6.114972  
1 1 1 -16 69  11 o 52.071  3.7557  1491.67    210.391  1264.57    289.004  1747.73    306.876  47.407  5.7459  56.031  5.1130  -8.624428      7.691379  
1 1 1 -16 69  12 o 77.977  3.1644  3319.22    267.257  3199.08    389.044  3426.58    367.769  76.036  4.7477  78.844  4.3231  -2.807945      6.421051  
1 1 1 -16 69  13 o 19.191  1.9767  202.219    40.498   521.535    288.054  195.781    40.904   29.699  8.5146  18.872  2.0333  10.82736       8.754062  
1 1 1 -16 69  14 o 22.144  7.3071  270.794    203.482  279.240    297.776  263.395    278.703  23.801  8.7690  23.127  8.4891  0.6744232      12.20486  
1 1 1 -16 69  15 o 48.382  4.4003  1305.11    228.066  1528.82    323.553  1084.20    321.523  51.850  5.8645  43.051  7.1459  8.798481       9.244308  
1 1 1 -16 69  16 o 46.563  2.2549  1182.14    113.721  1273.41    328.397  1169.70    121.222  46.729  6.6784  46.230  2.4295  0.4996338      7.106580  
1 1 1 -16 69  17 o 22.402  7.1496  293.418    195.723  239.893    283.792  341.971    270.291  22.210  8.4791  24.354  8.4206  -2.144178      11.94995  
1 1 1 -16 69  18 o 25.830  7.1126  405.645    205.301  562.708    301.084  269.159    280.670  29.868  8.7465  22.692  8.4833  7.176208       12.18473  
1 1 1 -16 69  19 o 27.237  8.7367  463.888    291.977  730.106    361.389  -36.5388   495.481  33.393  9.5251  22.097  9.9277  11.29560       13.75819  
1 1 1 -16 69  20 o 22.717  8.7395  268.138    302.927  88.784     394.823  524.818    472.328  21.418  9.2657  28.881  10.960  -7.463022      14.35153  
1 1 1 -16 69  21 o 27.061  9.3520  471.833    333.378  336.284    404.580  758.543    588.407  24.965  9.9502  32.329  12.241  -7.363504      15.77487  
1 1 1 -16 69  22 o 32.507  8.8776  707.973    321.384  519.210    412.765  998.593    512.163  27.899  10.316  36.349  11.562  -8.449347      15.49486  
1 1 1 -16 69  23 o 24.897  9.2576  384.665    333.363  167.221    399.734  881.308    604.114  22.057  9.4290  33.394  12.453  -11.33750      15.62033  
1 1 1 -16 70  1  o 22.391  8.3571  223.142    272.164  254.950    364.711  183.167    408.856  24.915  9.5882  24.607  9.9343  0.3083019      13.80666  
1 1 1 -16 70  2  o 5.2165  2.4902  -53.1345   39.321   -57.3777   39.496   421.047    417.527  5.1320  2.4621  28.872  10.422  -23.73980      10.70862  
1 1 1 -16 70  3  o 71.663  2.6082  2792.59    202.446  2726.32    260.218  2894.20    322.223  70.707  3.3978  72.622  4.1134  -1.915352      5.335311  
1 1 1 -16 70  4  o 56.897  3.2428  1770.01    199.010  1583.22    280.158  1960.27    282.746  53.466  4.8921  59.654  4.4073  -6.187862      6.584589  
1 1 1 -16 70  5  o 16.817  1.5876  154.761    28.576   117.889    190.693  155.608    28.903   17.850  6.9152  16.862  1.6018  0.9885235      7.098299  
1 1 1 -16 70  6  o 67.135  3.2259  2457.04    234.573  2530.23    328.557  2380.94    335.010  67.774  4.5015  65.674  4.7416  2.099617       6.538012  
1 1 1 -16 70  7  o 74.569  3.1722  3031.24    256.206  3109.57    358.721  2949.68    366.048  75.168  4.4256  73.144  4.6446  2.023911       6.415442  
1 1 1 -16 70  8  o 69.511  3.1837  2634.86    239.694  2720.01    498.361  2609.23    273.392  69.517  6.7018  68.999  3.6714  0.5181885      7.641595  
1 1 1 -16 70  9  o 96.064  3.0413  5030.96    316.439  4729.12    444.814  5340.24    450.261  92.795  4.4257  98.673  4.2131  -5.878036      6.110397  
1 1 1 -16 70  10 o 79.311  3.1255  3431.60    268.484  3201.44    375.302  3672.85    384.243  76.158  4.5710  81.658  4.3603  -5.499786      6.317092  
1 1 1 -16 70  11 o 70.721  3.2565  2731.06    249.445  2720.95    345.720  2742.03    360.266  70.167  4.5740  70.384  4.7537  -0.2162323     6.596943  
1 1 1 -16 70  12 o 88.511  3.1888  4278.69    305.699  4421.07    449.922  4156.59    416.642  89.429  4.6611  86.786  4.4474  2.643639       6.442484  
1 1 1 -16 70  13 o 86.445  2.9033  4078.57    271.837  4468.10    431.982  3823.20    349.773  90.015  4.4308  83.444  3.8701  6.571861       5.882980  
1 1 1 -16 70  14 o 23.495  7.3585  316.269    208.181  532.659    300.155  115.682    288.987  29.811  8.7339  20.291  8.2927  9.519196       12.04368  
1 1 1 -16 70  15 o 24.124  7.2410  341.545    204.323  163.661    322.512  460.812    264.081  21.784  8.8133  27.705  8.2131  -5.920559      12.04695  
1 1 1 -16 70  16 f 87.887  2.9465  4236.27    280.477  4411.03    454.546  4128.82    356.421  88.680  4.7496  86.401  3.8087  2.279083       6.088108  
1 1 1 -16 70  17 o 42.500  4.8396  1027.35    218.804  1045.48    319.551  1011.35    300.222  41.656  7.3513  41.152  6.9855  0.5042038      10.14097  
1 1 1 -16 70  18 o 49.075  4.9824  1372.87    261.158  1456.67    405.947  1313.69    341.121  48.804  7.9536  46.953  6.9148  1.851204       10.53920  
1 1 1 -16 70  19 o 62.862  5.1240  2259.88    345.835  2343.41    470.179  2161.41    510.471  62.584  7.0597  59.156  8.1866  3.428329       10.81010  
1 1 1 -16 70  20 o 63.296  6.4581  2378.33    436.540  2500.66    585.593  2225.31    654.933  62.618  8.8833  56.785  11.046  5.832943       14.17510  
1 1 1 -16 70  21 o 52.882  6.4490  1676.24    361.726  1674.57    481.273  1678.42    548.387  50.577  9.1210  49.138  10.614  1.439625       13.99475  
1 1 1 -16 70  22 o 24.915  9.4032  376.581    346.510  624.328    424.940  -115.0641  598.618  29.878  10.543  22.407  10.381  7.470896       14.79634  
1 1 1 -16 71  1  o 54.210  5.6552  1639.80    327.160  1803.18    446.118  1449.69    481.223  56.276  7.5062  49.726  9.2761  6.549980       11.93268  
1 1 1 -16 71  2  o 100.207 4.5805  5509.42    497.141  5910.16    694.314  5087.81    712.152  103.039 6.2509  95.267  6.9497  7.771767       9.347264  
1 1 1 -16 71  3  o 115.855 3.0019  7310.07    376.690  6929.40    529.431  7700.35    536.072  112.451 4.3469  118.596 4.1733  -6.145119      6.025932  
1 1 1 -16 71  4  o 59.924  2.3497  1951.50    152.508  2072.09    289.209  1905.05    179.493  61.332  4.3825  59.163  2.8011  2.168972       5.201193  
1 1 1 -16 71  5  o 60.181  3.2168  1979.99    208.921  2237.00    290.078  1702.98    301.150  63.768  4.2238  55.396  5.0756  8.371956       6.603188  
1 1 1 -16 71  6  o 68.151  3.2480  2532.87    239.750  2420.36    336.194  2649.30    341.997  66.205  4.7193  69.317  4.5811  -3.112114      6.577102  
1 1 1 -16 71  7  o 7.7441  2.7596  27.882     29.180   23.680     182.342  27.993     29.561   15.361  6.4583  7.7760  2.7769  7.584773       7.030002  
1 1 1 -16 71  8  o 60.306  5.0759  2019.37    328.459  2213.06    463.432  1823.86    465.599  62.499  6.9645  56.333  7.8438  6.165958       10.48949  
1 1 1 -16 71  9  o 68.143  3.2522  2534.51    240.028  2529.18    337.346  2539.98    341.595  67.648  4.6320  67.779  4.6819  -0.1304474     6.586001  
1 1 1 -16 71  10 o 114.852 3.1193  7197.32    388.029  6856.31    545.746  7545.95    551.815  111.644 4.5132  117.190 4.3474  -5.545761      6.266523  
1 1 1 -16 71  11 o 84.953  3.1291  3939.54    287.916  3837.76    397.053  4052.40    418.111  83.412  4.4106  85.680  4.5215  -2.267418      6.316438  
1 1 1 -16 71  12 o 45.232  4.4573  1137.95    215.532  1073.85    301.501  1204.94    308.227  43.242  6.6505  45.958  6.3628  -2.716164      9.204058  
1 1 1 -16 71  13 o 30.918  6.3416  556.146    205.242  413.473    286.029  707.575    294.676  26.784  8.6531  34.424  8.0476  -7.639750      11.81695  
1 1 1 -16 71  14 o 45.143  2.3598  1113.75    114.982  1460.33    335.619  1067.66    122.389  50.455  6.2772  44.159  2.5700  6.295776       6.782892  
1 1 1 -16 71  15 o 61.643  3.9662  2109.98    263.398  2041.45    407.422  2159.19    345.253  59.459  6.4287  61.818  5.2049  -2.358326      8.271578  
1 1 1 -16 71  16 o 27.750  7.1435  466.557    215.980  614.969    302.583  312.402    308.382  31.359  8.6348  24.128  8.9174  7.230793       12.41290  
1 1 1 -16 71  17 o 33.157  6.8573  661.372    238.137  424.646    356.448  852.208    320.039  26.842  9.6365  37.057  8.1916  -10.21419      12.64772  
1 1 1 -16 71  18 o 43.921  6.9501  1155.71    319.621  1147.21    459.151  1163.69    445.197  41.530  10.266  42.090  9.9268  -0.5599709     14.28046  
1 1 1 -16 71  19 o 20.327  8.5429  116.312    318.850  330.414    422.138  -168.0877  486.531  25.420  10.153  20.556  9.4652  4.863289       13.88101  
1 1 1 -16 71  20 o 23.676  8.8738  317.742    307.481  144.415    402.982  559.266    475.698  22.182  9.4745  29.239  11.022  -7.057270      14.53432  
1 1 1 -16 71  21 o 53.971  7.5073  1806.50    426.960  1413.77    570.600  2306.13    643.593  43.517  11.806  57.599  10.711  -14.08214      15.94051  
1 1 1 -16 71  22 o 30.246  9.2969  620.606    334.078  846.227    442.273  320.823    509.806  34.191  10.728  25.560  10.775  8.631819       15.20529  
1 1 1 -16 72  1  o 87.306  4.5834  4195.50    431.895  3585.48    596.578  4867.32    626.073  79.838  6.9689  93.439  6.2218  -13.60139      9.342150  
1 1 1 -16 72  2  o 57.496  3.4669  1810.65    214.888  1541.58    238.846  2953.67    492.275  52.889  4.2042  72.660  6.3181  -19.77144      7.589055  
1 1 1 -16 72  3  o 7.1610  3.0027  4.0473     39.246   -13.9683   40.083   422.237    193.115  6.4874  2.8747  27.013  6.6460  -20.52560      7.241052  
1 1 1 -16 72  4  o 69.479  2.9710  2629.60    223.573  2190.00    311.027  3099.59    321.598  62.992  4.5903  75.161  3.9645  -12.16906      6.065361  
1 1 1 -16 72  5  o 50.154  3.6090  1381.24    194.740  1405.38    274.941  1356.93    275.871  50.249  5.1235  49.335  5.2431  0.9138870      7.330779  
1 1 1 -16 72  6  o 56.086  2.1197  1708.90    128.768  1360.68    286.227  1797.25    144.183  49.335  5.4474  57.500  2.3151  -8.165646      5.918979  
1 1 1 -16 72  7  o 54.782  3.5181  1646.37    207.640  1603.55    274.926  1703.22    316.802  53.774  4.7699  55.267  5.3598  -1.492943      7.174909  
1 1 1 -16 72  8  o 120.414 4.5261  7971.66    590.292  8031.13    832.985  7911.67    836.626  119.787 6.4440  118.842 6.5246  0.9448318      9.170371  
1 1 1 -16 72  9  o 153.204 3.4061  12823.71   565.198  13089.53   796.534  12554.16   802.116  154.134 4.7713  150.874 4.9086  3.260269       6.845370  
1 1 1 -16 72  10 o 84.638  3.1017  3909.43    284.344  3766.66    391.845  4068.24    413.255  82.650  4.3930  85.881  4.4581  -3.231148      6.258868  
1 1 1 -16 72  11 o 58.666  3.6679  1892.84    231.894  1860.58    337.390  1921.73    319.257  57.628  5.4710  58.711  5.0702  -1.083237      7.459166  
1 1 1 -16 72  12 o 51.477  4.1306  1467.34    228.362  1555.41    316.754  1372.02    329.530  52.518  5.6578  49.036  6.3539  3.482365       8.507838  
1 1 1 -16 72  13 o 64.346  3.6884  2282.73    255.983  1809.99    355.837  2789.78    368.526  56.474  5.9048  70.720  4.8403  -14.24646      7.635135  
1 1 1 -16 72  14 o 102.561 3.2710  5773.98    363.355  5395.26    511.088  6161.04    516.680  98.384  4.7962  105.296 4.5304  -6.911842      6.597611  
1 1 1 -16 72  15 o 58.130  4.1821  1886.29    261.548  2009.60    377.268  1772.19    362.920  59.118  5.9739  55.388  6.1536  3.730278       8.576400  
1 1 1 -16 72  16 o 49.184  4.6297  1365.77    243.728  1607.48    370.844  1181.98    323.377  52.296  6.7014  44.633  6.9129  7.662827       9.627891  
1 1 1 -16 72  17 o 37.377  6.6366  832.390    258.832  1339.59    473.904  616.775    308.988  45.435  9.9091  31.200  8.7756  14.23483       13.23637  
1 1 1 -16 72  18 o 32.816  8.6610  687.819    312.336  851.218    387.491  384.750    527.726  35.934  9.7209  27.531  11.224  8.402290       14.84812  
1 1 1 -16 72  19 o 29.023  8.4097  538.986    279.660  606.261    374.221  453.892    420.874  30.245  9.9059  27.365  10.355  2.879795       14.33001  
1 1 1 -16 72  20 o 24.071  9.1961  326.155    333.954  -11.7626   409.173  1000.36    577.960  20.311  9.0806  36.301  12.320  -15.98983      15.30505  
1 1 1 -16 72  21 o 26.659  9.2144  460.995    323.639  409.869    427.872  529.359    494.771  26.198  10.298  28.462  11.107  -2.263479      15.14693  
1 1 1 -16 72  22 o 35.054  8.9318  821.287    340.089  740.594    454.440  924.013    512.737  32.022  10.924  35.011  11.601  -2.989727      15.93535  
1 1 1 -16 73  1  o 32.165  1.1046  560.761    38.484   568.597    38.651   -337.5481  413.837  32.389  1.1018  18.344  8.5440  14.04503       8.614748  
1 1 1 -16 73  2  o 84.892  2.6383  3921.50    242.581  3221.78    337.809  4666.49    348.565  76.586  4.0872  92.442  3.4813  -15.85606      5.368836  
1 1 1 -16 73  3  o 91.828  2.8286  4591.83    281.330  4499.71    392.942  4688.70    402.969  90.652  4.0020  92.532  4.0208  -1.879364      5.672992  
1 1 1 -16 73  4  o 110.306 3.0514  6632.31    364.565  6317.10    509.343  6963.42    522.036  107.284 4.3833  112.674 4.2776  -5.390335      6.124698  
1 1 1 -16 73  5  o 54.711  2.2807  1627.05    135.150  1702.77    280.748  1604.20    154.193  55.443  4.7201  54.293  2.6221  1.149834       5.399516  
1 1 1 -16 73  6  o 119.526 3.1692  7793.26    410.278  7804.43    574.114  7781.60    586.528  119.194 4.4471  118.980 4.5514  0.2144165      6.363308  
1 1 1 -16 73  7  o 195.419 4.1106  20940.64   870.041  20897.26   1298.09  20976.03   1172.34  193.703 6.1873  194.584 5.5626  -0.8810730     8.320126  
1 1 1 -16 73  8  o 158.834 4.0323  13831.13   693.690  14156.57   846.362  13165.10   1210.80  160.241 4.8766  152.844 7.3140  7.397293       8.790653  
1 1 1 -16 73  9  o 100.343 2.8902  5489.04    314.113  5736.69    462.150  5276.41    428.231  102.215 4.1745  98.074  4.0314  4.141022       5.803299  
1 1 1 -16 73  10 o 40.691  2.0526  902.205    90.171   977.305    261.448  892.065    96.065   41.458  5.9967  40.443  2.2014  1.015350       6.387965  
1 1 1 -16 73  11 o 55.404  3.7245  1691.17    222.207  1731.19    297.716  1640.84    333.880  55.689  4.9887  53.920  5.8087  1.768871       7.656893  
1 1 1 -16 73  12 o 70.529  3.4014  2726.52    259.836  2889.87    366.563  2561.56    368.371  72.070  4.7221  67.700  5.0603  4.369743       6.921339  
1 1 1 -16 73  13 o 94.656  3.2169  4912.88    329.799  4949.55    468.459  4876.83    464.380  94.410  4.5812  93.717  4.5749  0.6929169      6.474378  
1 1 1 -16 73  14 o 35.607  5.9751  737.245    222.270  582.152    328.240  868.589    302.065  30.634  9.1738  37.993  7.6059  -7.359108      11.91666  
1 1 1 -16 73  15 o 39.313  5.5567  891.627    230.009  895.687    340.393  888.216    312.020  37.984  8.4876  38.175  7.8095  -0.1909370     11.53380  
1 1 1 -16 73  16 o 16.508  7.2215  -13.7202   245.493  512.440    420.793  -285.2097  302.264  29.029  10.465  14.991  7.0826  14.03792       12.63632  
1 1 1 -16 73  17 o 34.117  8.6792  739.489    321.482  929.075    398.822  387.766    543.221  37.694  9.7093  27.875  11.378  9.819010       14.95773  
1 1 1 -16 73  18 o 22.598  8.5465  268.609    286.624  78.874     380.389  517.840    435.968  21.108  9.1132  28.774  10.609  -7.665207      13.98570  
1 1 1 -16 73  19 o 25.465  9.0257  396.180    311.740  536.725    386.105  132.990    528.365  28.704  10.056  24.110  10.569  4.594057       14.58911  
1 1 1 -16 73  20 o 16.190  7.4485  -139.0051  300.460  -343.0497  391.499  153.404    468.666  16.691  7.9368  23.235  10.073  -6.543386      12.82423  
1 1 1 -16 73  21 o 45.824  7.8628  1323.96    376.194  1118.95    469.643  1691.02    628.419  39.615  10.696  47.345  12.184  -7.729958      16.21234  
1 1 1 -16 74  1  o 82.957  4.7780  3799.83    427.490  3663.95    601.146  3938.86    608.038  80.599  6.9543  83.673  6.7672  -3.074402      9.703474  
1 1 1 -16 74  2  f 60.098  2.8389  1967.29    184.795  1680.95    254.214  2288.14    269.100  55.191  4.2863  64.544  3.8672  -9.352959      5.772955  
1 1 1 -16 74  3  o 58.394  3.1109  1864.61    196.046  1641.96    273.138  2101.18    281.554  54.446  4.6772  61.753  4.2351  -7.306900      6.309691  
1 1 1 -16 74  4  o 66.820  1.9841  2424.86    143.598  2339.88    203.047  2509.89    203.109  65.538  2.8604  67.891  2.7622  -2.352692      3.976373  
1 1 1 -16 74  5  o 105.542 3.0616  6073.92    349.985  6360.23    490.656  5777.36    499.365  107.675 4.2072  102.529 4.4968  5.145813       6.158020  
1 1 1 -16 74  6  o 145.729 3.2857  11593.19   518.610  11864.77   728.234  11313.73   738.729  146.877 4.5777  143.337 4.7583  3.539703       6.602813  
1 1 1 -16 74  7  o 151.770 3.3660  12581.93   553.309  12234.61   773.125  12946.63   792.219  149.008 4.7904  153.292 4.7715  -4.284973      6.761290  
1 1 1 -16 74  8  o 118.739 3.0951  7693.91    398.052  7828.31    567.536  7563.79    558.435  119.312 4.3918  117.277 4.3963  2.034943       6.214126  
1 1 1 -16 74  9  o 55.740  3.7061  1709.56    222.468  1816.27    308.224  1593.51    321.426  57.088  5.0364  53.245  5.6604  3.843739       7.576644  
1 1 1 -16 74  10 o 81.799  3.1392  3656.47    278.126  3352.11    380.852  4004.27    407.119  77.816  4.5384  85.113  4.4316  -7.297409      6.343195  
1 1 1 -16 74  11 o 39.348  2.4259  846.654    102.883  1179.77    273.330  791.667    111.050  45.625  5.6522  37.997  2.7163  7.627968       6.270999  
1 1 1 -16 74  12 o 79.366  2.8130  3442.66    241.809  3309.50    394.318  3522.92    306.126  77.034  4.7492  80.076  3.5296  -3.042496      5.917161  
1 1 1 -16 74  13 o 84.004  3.3665  3879.32    306.303  4007.92    427.413  3743.53    439.181  84.683  4.6781  81.660  4.9894  3.022842       6.839509  
1 1 1 -16 74  14 o 30.960  6.9346  575.289    226.761  617.269    323.570  534.770    317.883  31.389  9.0316  29.375  9.0754  2.014412       12.80364  
1 1 1 -16 74  15 o 16.919  2.0799  158.375    37.311   562.093    308.246  152.372    37.587   29.969  8.8708  16.579  2.1434  13.39001       9.126105  
1 1 1 -16 74  16 o 19.149  7.6744  137.331    242.045  197.965    432.333  109.649    292.117  23.946  9.9978  19.819  8.2416  4.127235       12.95688  
1 1 1 -16 74  17 f 22.640  8.5741  265.346    288.724  263.177    371.115  268.672    459.551  23.826  9.5189  25.179  10.393  -1.352987      14.09316  
1 1 1 -16 74  18 o 37.811  9.2096  933.829    373.672  408.957    495.210  1627.83    569.434  27.331  10.969  48.582  11.069  -21.25022      15.58306  
1 1 1 -16 74  19 o 39.025  8.6948  985.188    358.106  775.949    534.219  1155.94    482.584  32.904  11.799  40.601  10.790  -7.696018      15.98851  
1 1 1 -16 74  20 o 44.552  8.0384  1256.84    373.616  1166.86    469.076  1412.96    617.909  40.738  10.548  42.760  12.532  -2.022171      16.38048  
1 1 1 -16 74  21 o 20.963  8.6333  176.277    316.230  410.112    418.966  -133.3139  482.079  26.165  10.218  20.400  9.4037  5.765356       13.88679  
1 1 1 -16 75  1  o 135.648 4.7657  10131.26   700.184  9731.89    988.245  10533.83   992.187  131.566 6.9598  137.237 6.6750  -5.671188      9.643361  
1 1 1 -16 75  2  o 75.049  2.0995  3060.12    170.659  2980.20    205.206  3239.37    307.323  74.005  2.5601  76.958  3.6870  -2.953232      4.488660  
1 1 1 -16 75  3  o 82.294  2.9488  3691.03    262.834  3461.74    367.201  3931.93    376.375  79.305  4.2909  84.686  4.1034  -5.380692      5.937144  
1 1 1 -16 75  4  o 31.214  4.7675  548.146    156.067  483.260    223.800  609.571    217.749  28.777  7.1985  32.534  6.4073  -3.757582      9.637025  
1 1 1 -16 75  5  o 70.595  3.2162  2719.97    245.915  2860.76    339.265  2564.12    356.963  72.038  4.3688  68.038  4.8763  4.000526       6.547156  
1 1 1 -16 75  6  o 106.779 2.9547  6216.52    341.723  6059.20    496.575  6358.03    470.977  105.001 4.3664  107.673 4.0385  -2.671761      5.947705  
1 1 1 -16 75  7  o 140.616 3.3206  10804.08   505.729  11014.68   706.925  10583.31   723.790  141.394 4.6161  138.488 4.8254  2.905823       6.677730  
1 1 1 -16 75  8  o 130.650 3.2448  9327.90    459.165  9270.62    637.907  9389.49    661.446  129.690 4.5413  130.447 4.6815  -0.7574005     6.522299  
1 1 1 -16 75  9  o 86.028  3.1955  4045.54    297.744  4092.29    409.491  3993.11    433.699  86.057  4.4081  84.874  4.7367  1.182724       6.470501  
1 1 1 -16 75  10 o 14.002  6.0904  -19.2141   172.450  115.831    223.348  -218.5736  271.369  18.570  7.3957  14.902  6.9335  3.668059       10.13748  
1 1 1 -16 75  11 o 76.512  3.2138  3207.49    266.329  3355.03    369.491  3047.93    384.233  77.740  4.4063  73.904  4.8267  3.836258       6.535498  
1 1 1 -16 75  12 o 72.007  3.4667  2851.34    270.373  2852.77    371.871  2849.74    393.800  71.363  4.8397  71.174  5.1430  0.1891251      7.062124  
1 1 1 -16 75  13 o 55.690  4.0811  1728.54    244.448  1672.10    335.045  1792.78    357.444  53.991  5.8215  55.826  6.0060  -1.835052      8.364288  
1 1 1 -16 75  14 o 35.212  6.1500  727.343    226.015  843.013    312.914  601.176    326.805  37.081  8.0242  30.933  9.1279  6.147478       12.15341  
1 1 1 -16 75  15 o 64.860  4.2848  2355.25    299.311  2342.68    502.926  2362.14    372.453  62.601  7.5713  64.350  5.3936  -1.748653      9.295966  
1 1 1 -16 75  16 o 20.345  8.5912  98.620     324.935  11.165     408.786  248.702    535.514  20.992  9.2471  26.056  11.017  -5.063745      14.38362  
1 1 1 -16 75  17 o 28.287  9.7238  505.730    360.173  562.388    467.710  423.172    564.578  29.746  10.984  28.333  11.586  1.412855       15.96555  
1 1 1 -16 75  18 o 17.940  8.0538  -59.5682   325.400  -361.2560  458.064  247.774    462.336  18.280  8.6612  24.624  10.315  -6.343168      13.46881  
1 1 1 -16 75  19 o 50.052  7.8707  1563.20    412.596  1525.80    558.911  1607.99    611.647  46.298  11.255  46.718  12.019  -0.4197922     16.46604  
1 1 1 -16 75  20 o 52.923  7.1432  1712.50    398.992  1983.52    581.674  1471.66    548.323  53.894  10.341  45.276  11.235  8.618603       15.26942  
1 1 1 -16 76  1  o 118.295 4.6441  7703.41    595.036  8294.38    840.968  7110.92    842.050  121.712 6.4019  112.338 6.9548  9.373657       9.452657  
1 1 1 -16 76  2  o 62.960  3.0502  2161.93    208.002  1181.43    313.086  2936.63    278.296  45.555  6.5324  73.295  3.5056  -27.74048      7.413586  
1 1 1 -16 76  3  o 118.067 3.0502  7603.26    390.051  7258.94    549.218  7953.65    554.044  114.917 4.4125  120.355 4.2502  -5.437607      6.126575  
1 1 1 -16 76  4  o 101.275 3.0162  5594.09    330.850  5433.05    463.314  5761.66    472.609  99.444  4.3016  102.421 4.2603  -2.977150      6.054260  
1 1 1 -16 76  5  o 141.408 3.3033  10924.20   505.932  10524.42   711.590  11332.89   719.466  138.153 4.7555  143.427 4.6314  -5.274292      6.638127  
1 1 1 -16 76  6  o 98.958  3.0651  5344.91    328.525  5613.84    458.364  5060.82    471.109  101.077 4.1869  95.848  4.5380  5.228447       6.174429  
1 1 1 -16 76  7  o 116.056 3.1333  7356.79    393.861  7441.65    550.432  7267.74    563.817  116.256 4.3714  114.818 4.5337  1.437866       6.297908  
1 1 1 -16 76  8  o 106.806 3.1438  6234.47    363.681  6081.32    494.415  6415.03    536.847  105.052 4.3453  107.784 4.5986  -2.732468      6.326813  
1 1 1 -16 76  9  o 65.283  3.4096  2341.26    240.251  2401.80    326.291  2269.58    355.062  65.742  4.6116  63.681  5.1931  2.061359       6.945108  
1 1 1 -16 76  10 o 38.441  5.0378  835.736    204.704  740.717    277.722  948.768    302.904  35.301  7.4952  40.180  7.2259  -4.878807      10.41117  
1 1 1 -16 76  11 o 28.637  6.3799  483.317    192.817  408.548    253.568  585.821    296.898  26.245  8.1050  30.965  8.5644  -4.720263      11.79150  
1 1 1 -16 76  12 o 12.836  5.9057  -123.7807  188.877  -148.1777  251.694  -92.3319   285.763  14.900  6.8411  16.744  7.5296  -1.844299      10.17328  
1 1 1 -16 76  13 o 54.171  2.4772  1603.84    145.343  1430.03    330.137  1645.63    161.874  49.613  6.2846  54.819  2.7263  -5.206470      6.850502  
1 1 1 -16 76  14 o 40.576  6.1600  961.793    262.214  988.049    418.043  944.763    336.679  39.126  9.8666  39.178  8.1975  -0.5260086E-01 12.82765  
1 1 1 -16 76  15 o 47.766  6.4009  1338.56    322.825  1133.73    391.863  1771.20    569.506  42.500  8.8025  52.043  10.466  -9.542904      13.67572  
1 1 1 -16 76  16 o 54.526  5.6471  1717.08    328.666  1811.35    422.787  1573.11    522.495  54.932  7.2857  48.952  10.186  5.980286       12.52363  
1 1 1 -16 76  17 o 65.092  5.6902  2454.14    397.134  2794.96    554.490  2095.17    569.056  67.752  7.6925  56.932  9.5678  10.81973       12.27672  
1 1 1 -16 76  18 o 60.257  6.0471  2133.05    389.338  1718.74    488.798  2852.10    643.949  51.646  9.0691  66.639  9.1643  -14.99355      12.89311  
1 1 1 -16 76  19 o 43.174  7.6295  1161.48    343.721  1142.22    462.112  1185.34    514.247  40.504  10.461  40.484  11.298  0.1978683E-01  15.39711  
1 1 1 -16 76  20 o 30.496  9.2264  621.523    330.773  401.194    445.417  892.427    493.900  26.335  10.458  34.926  11.377  -8.590931      15.45356  
1 1 1 -16 77  1  o 48.049  2.1714  1255.12    113.004  1288.88    116.592  731.878    458.993  48.687  2.2110  34.901  10.925  13.78590       11.14694  
1 1 1 -16 77  2  o 131.188 2.8823  9383.90    409.552  7968.63    576.324  10827.72   582.108  120.340 4.4217  140.558 3.8237  -20.21767      5.845642  
1 1 1 -16 77  3  o 168.294 3.3988  15485.09   619.538  14710.42   873.473  16269.37   878.869  163.170 4.9424  171.745 4.7247  -8.575272      6.837390  
1 1 1 -16 77  4  o 139.260 3.2600  10596.83   491.711  10774.06   691.968  10416.05   698.852  139.821 4.5692  137.411 4.6956  2.409515       6.551857  
1 1 1 -16 77  5  o 167.542 3.6858  15380.21   668.850  15067.49   981.965  15650.87   913.531  164.655 5.5062  168.179 5.0151  -3.524048      7.447769  
1 1 1 -16 77  6  o 76.735  3.1633  3217.56    262.910  3321.60    364.944  3105.31    379.080  77.538  4.3632  74.845  4.7001  2.693779       6.413202  
1 1 1 -16 77  7  o 51.434  6.2016  1503.86    338.515  1562.01    445.648  1424.53    520.481  51.538  8.2627  48.180  10.287  3.358143       13.19435  
1 1 1 -16 77  8  o 36.899  5.0869  769.956    197.894  784.140    256.190  748.971    311.608  36.714  6.6890  35.315  8.2889  1.399380       10.65127  
1 1 1 -16 77  9  o 70.208  3.3012  2702.18    251.032  2610.66    342.639  2808.23    368.831  68.456  4.6487  70.933  4.8295  -2.476616      6.703342  
1 1 1 -16 77  10 o 88.397  3.1915  4285.30    305.560  3793.63    423.139  4821.08    441.714  82.417  4.7605  93.249  4.3735  -10.83252      6.464472  
1 1 1 -16 77  11 o 43.413  4.5426  1060.00    210.437  909.532    278.864  1259.02    320.710  39.290  6.7992  46.490  6.5508  -7.200382      9.441483  
1 1 1 -16 77  12 o 60.129  3.8462  2008.14    249.172  1984.68    341.445  2034.87    364.444  59.071  5.3963  59.651  5.7106  -0.5794754     7.856939  
1 1 1 -16 77  13 o 82.319  3.4974  3738.55    311.828  3873.94    441.428  3603.69    440.557  82.913  4.9379  79.842  5.1215  3.071068       7.114238  
1 1 1 -16 77  14 f 22.449  7.9036  280.355    238.661  622.851    366.149  27.347     314.700  31.233  9.7550  19.115  8.2707  12.11751       12.78927  
1 1 1 -16 77  15 o 85.805  4.7841  4156.07    442.843  3644.65    613.180  4713.65    640.245  78.246  7.3203  89.755  6.6329  -11.50932      9.878391  
1 1 1 -16 77  16 o 65.340  5.8234  2474.68    407.802  2673.08    528.941  2183.91    640.330  66.574  7.4641  57.170  10.735  9.403297       13.07507  
1 1 1 -16 77  17 o 33.521  8.6278  723.654    315.091  702.444    374.710  774.858    582.209  32.436  9.8216  33.161  12.253  -0.7253418     15.70384  
1 1 1 -16 77  18 o 27.130  9.4555  469.178    341.140  424.266    482.753  513.975    482.138  27.181  10.858  28.554  11.014  -1.372501      15.46609  
1 1 1 -16 77  19 o 45.106  8.0339  1281.34    378.101  1370.72    549.194  1200.81    521.325  43.513  11.485  40.716  11.380  2.797127       16.16814  
1 1 1 -16 78  1  o 24.900  8.8031  326.066    296.373  163.276    418.475  489.886    419.797  24.158  9.9381  29.766  10.482  -5.608143      14.44425  
1 1 1 -16 78  2  o 42.968  3.3447  1015.66    154.434  905.591    212.537  1138.77    224.781  40.165  4.9934  45.199  4.6583  -5.034122      6.828912  
1 1 1 -16 78  3  o 84.860  2.4323  3920.42    223.553  4015.59    281.217  3757.01    368.486  85.760  3.0275  82.668  4.1154  3.091431       5.109058  
1 1 1 -16 78  4  f 71.595  3.0478  2799.44    236.340  2905.52    326.229  2682.27    342.860  72.559  4.1686  69.573  4.5754  2.986336       6.189642  
1 1 1 -16 78  5  f 124.030 3.0574  8404.57    410.726  8447.12    576.731  8360.77    585.067  123.814 4.3006  123.137 4.3868  0.6772308      6.143243  
1 1 1 -16 78  6  o 66.066  3.3348  2395.73    237.855  2284.59    329.083  2517.29    344.181  64.061  4.7772  67.269  4.7546  -3.207603      6.739991  
1 1 1 -16 78  7  o 21.379  2.0478  250.887    46.838   483.327    379.206  247.286    47.199   29.013  9.9772  21.220  2.0804  7.793907       10.19175  
1 1 1 -16 78  8  o 29.762  6.1500  516.943    191.692  411.977    247.191  675.297    303.614  26.406  7.9731  33.369  8.4049  -6.963211      11.58501  
1 1 1 -16 78  9  o 26.252  6.5437  407.789    185.404  388.655    247.093  432.440    280.470  25.678  8.0126  26.994  8.5527  -1.316145      11.71965  
1 1 1 -16 78  10 o 45.514  1.8595  1127.13    91.665   724.016    287.607  1172.71    96.709   34.536  7.8648  46.417  1.9236  -11.88129      8.096633  
1 1 1 -16 78  11 o 23.760  6.9933  334.883    192.048  333.028    252.513  337.429    295.784  24.080  8.1437  24.637  8.7853  -0.5572090     11.97915  
1 1 1 -16 78  12 o 50.962  4.1645  1451.80    227.862  1603.95    321.838  1298.88    322.656  52.886  5.7092  47.155  6.4894  5.730385       8.643297  
1 1 1 -16 78  13 o 18.407  7.3009  129.009    216.839  150.204    342.581  114.842    280.086  21.690  8.9646  19.698  8.1201  1.992552       12.09542  
1 1 1 -16 78  14 o 34.369  8.4338  740.513    311.603  886.750    385.483  464.809    529.295  37.054  9.5462  28.996  11.436  8.057966       14.89690  
1 1 1 -16 78  15 f 39.145  8.3852  960.359    344.808  1138.59    439.517  675.097    556.045  41.672  9.8868  32.080  11.951  9.591946       15.51035  
1 1 1 -16 78  16 o 14.684  6.9407  -267.8732  290.845  -59.7229   391.383  -524.5800  434.643  19.629  8.8209  16.634  8.0277  2.995811       11.92695  
1 1 1 -16 78  17 o 60.533  5.7593  2134.51    373.048  1793.66    458.266  2804.07    642.293  53.650  8.1421  66.104  9.2220  -12.45424      12.30204  
1 1 1 -16 78  18 o 15.349  7.2337  -255.5500  311.754  -518.0938  428.220  40.529     454.747  16.387  7.9231  21.831  9.6778  -5.444008      12.50742  
1 1 1 -16 78  19 o 16.189  7.6972  -334.6539  368.022  -354.6979  490.461  -308.8268  556.738  18.907  8.9594  20.541  9.6763  -1.633430      13.18715  
1 1 1 -16 79  1  o 95.109  4.6582  5002.71    479.850  4833.43    677.662  5172.94    679.564  92.169  6.8370  95.515  6.6095  -3.345695      9.509416  
1 1 1 -16 79  2  o 12.403  5.0761  32.569     108.481  256.913    142.479  -276.8689  167.332  21.119  5.9657  10.081  4.8929  11.03815       7.715569  
1 1 1 -16 79  3  o 65.041  3.0514  2312.11    214.958  2270.04    298.303  2357.56    310.029  64.014  4.3279  65.212  4.4154  -1.198059      6.182759  
1 1 1 -16 79  4  o 11.016  5.0504  -91.3876   136.497  -45.0094   181.221  -152.1983  207.512  13.881  6.1335  13.305  6.1460  0.5753927      8.682906  
1 1 1 -16 79  5  o 43.904  4.0375  1070.34    189.844  1050.60    264.153  1091.43    273.028  42.931  5.8318  43.740  5.9149  -0.8087921     8.306418  
1 1 1 -16 79  6  o 14.928  6.2330  34.703     168.047  -76.3523   231.346  158.755    244.509  15.274  6.8283  20.001  7.8075  -4.727262      10.37218  
1 1 1 -16 79  7  o 18.704  7.9891  31.730     286.550  180.249    367.856  -197.4667  456.975  23.065  9.3831  20.385  9.3064  2.679613       13.21560  
1 1 1 -16 79  8  o 39.844  1.6166  862.593    69.764   873.793    71.347   618.546    333.043  40.100  1.6427  31.669  9.1776  8.430700       9.323449  
1 1 1 -16 79  9  o 45.229  4.3967  1146.75    212.661  956.704    280.024  1405.71    326.878  40.406  6.6284  49.321  6.2600  -8.915054      9.117208  
1 1 1 -16 79  10 o 21.752  7.1572  269.179    195.271  210.312    265.848  338.152    287.763  21.374  8.1956  24.579  8.6759  -3.204859      11.93475  
1 1 1 -16 79  11 o 27.060  6.7485  438.624    197.122  651.400    260.253  152.286    301.907  32.782  7.4932  20.947  8.5087  11.83464       11.33781  
1 1 1 -16 79  12 o 47.691  5.1240  1294.18    260.522  1189.98    404.098  1368.30    340.802  43.745  8.8330  48.264  6.7001  -4.518898      11.08669  
1 1 1 -16 79  13 o 47.756  6.5477  1340.59    329.765  1638.14    417.464  846.828    537.771  52.189  7.6091  35.303  11.885  16.88597       14.11179  
1 1 1 -16 79  14 o 36.163  7.5287  799.802    285.297  848.307    337.194  677.593    535.228  36.665  8.6338  32.209  11.773  4.455956       14.59947  
1 1 1 -16 79  15 o 25.861  8.7951  407.065    294.547  276.081    391.711  577.492    446.812  24.302  9.7545  30.002  10.787  -5.700356      14.54346  
1 1 1 -16 79  16 o 46.106  7.6604  1306.83    369.118  1624.22    472.764  811.235    590.754  50.444  8.9822  33.783  12.366  16.66065       15.28352  
1 1 1 -16 79  17 o 26.282  9.1723  431.393    321.065  268.263    433.776  629.046    477.473  24.444  10.094  30.530  11.126  -6.086554      15.02217  
1 1 1 -16 79  18 o 49.404  6.7332  1468.76    350.905  1195.58    425.320  2051.11    620.986  42.470  9.4857  54.524  10.896  -12.05424      14.44673  
1 1 1 -16 80  1  o 59.586  5.6212  2004.82    358.491  1968.28    506.057  2041.63    507.912  57.674  8.3437  58.841  8.1918  -1.167427      11.69281  
1 1 1 -16 80  2  o 59.985  1.9667  1956.88    127.780  1914.00    145.936  2097.75    264.526  59.283  2.2728  61.583  3.9873  -2.300354      4.589551  
1 1 1 -16 80  3  o 47.758  3.5385  1258.85    181.732  1157.58    248.114  1376.07    266.934  45.310  5.1472  49.480  5.0517  -4.170254      7.212006  
1 1 1 -16 80  4  o 33.968  4.5266  649.689    162.389  642.470    225.336  657.488    234.228  33.151  6.5081  33.483  6.6927  -0.3320618     9.335295  
1 1 1 -16 80  5  o 45.236  4.0145  1137.50    194.647  1165.82    271.648  1107.61    279.047  45.240  5.6684  43.944  6.0212  1.295834       8.269520  
1 1 1 -16 80  6  o 24.435  0.9803  323.730    25.945   328.580    26.120   -35.8945   224.922  24.618  0.9796  15.632  6.8733  8.985906       6.942723  
1 1 1 -16 80  7  o 29.793  8.8847  542.815    308.357  823.289    400.727  135.652    482.823  36.088  9.9370  24.494  10.414  11.59363       14.39431  
1 1 1 -16 80  8  o 50.437  4.2430  1420.60    229.635  1506.81    309.522  1315.05    342.478  51.371  5.6567  47.381  6.8742  3.989796       8.902378  
1 1 1 -16 80  9  o 34.579  5.7151  692.645    206.571  753.650    266.094  600.118    327.707  35.505  7.1664  31.052  9.1341  4.453304       11.60985  
1 1 1 -16 80  10 o 115.577 3.2246  7343.45    403.662  7253.20    564.908  7437.60    577.014  114.007 4.5748  115.417 4.6158  -1.409492      6.498806  
1 1 1 -16 80  11 o 46.498  4.9175  1225.57    243.898  1314.57    397.562  1171.87    308.846  46.467  8.1991  44.698  6.5760  1.768726       10.51042  
1 1 1 -16 80  12 o 18.576  7.7152  88.208     255.532  -3.4559    341.310  205.119    385.457  19.369  8.4929  23.352  9.5642  -3.982719      12.79074  
1 1 1 -16 80  13 o 36.188  7.6155  800.989    289.042  589.100    385.951  1071.61    436.176  30.390  10.065  40.505  10.002  -10.11499      14.18958  
1 1 1 -16 80  14 o 26.820  8.9480  443.354    304.825  294.784    375.141  732.081    522.966  24.447  9.6324  32.952  11.689  -8.505123      15.14646  
1 1 1 -16 80  15 o 33.828  8.8208  736.768    326.527  929.755    405.203  379.354    551.434  37.401  9.8620  27.600  11.388  9.800404       15.06436  
1 1 1 -16 80  16 o 32.446  8.8301  683.735    318.606  622.428    429.425  758.808    475.199  30.529  10.610  33.038  11.172  -2.509037      15.40734  
1 1 1 -16 80  17 o 35.779  9.2554  845.450    361.375  1043.74    457.764  517.472    588.720  38.803  10.594  29.335  11.894  9.467896       15.92795  
1 1 1 -16 81  1  o 44.938  6.9797  1180.23    328.695  1166.50    464.827  1193.97    464.863  43.069  10.134  43.635  10.044  -0.5658112     14.26794  
1 1 1 -16 81  2  o 40.311  3.5680  900.253    154.172  813.048    210.027  1002.15    227.029  37.788  5.2755  42.087  5.0834  -4.299267      7.326107  
1 1 1 -16 81  3  o 88.820  2.9191  4317.02    280.827  4464.50    396.427  4168.46    397.875  89.886  4.0719  86.785  4.2328  3.100914       5.873461  
1 1 1 -16 81  4  o 27.364  5.6149  435.474    160.838  335.919    229.037  532.333    225.914  24.095  7.7389  29.871  7.0891  -5.775707      10.49501  
1 1 1 -16 81  5  o 44.439  4.1853  1102.69    199.072  1231.98    271.160  951.531    293.190  46.514  5.4881  40.188  6.9895  6.325661       8.886628  
1 1 1 -16 81  6  o 62.860  3.4926  2181.07    236.855  2366.61    328.614  1980.45    341.695  65.001  4.6993  59.118  5.3958  5.882374       7.155294  
1 1 1 -16 81  7  o 87.458  3.7987  4224.48    359.835  4593.62    620.289  4037.24    441.766  89.385  6.4504  84.870  4.8258  4.515678       8.055776  
1 1 1 -16 81  8  o 59.591  2.5374  1940.42    163.773  1926.63    332.300  1944.84    188.220  58.290  5.3221  59.574  2.9170  -1.283714      6.069062  
1 1 1 -16 81  9  o 40.489  5.1553  934.659    220.951  885.804    278.972  1016.89    361.919  38.659  6.9164  40.676  8.4893  -2.016296      10.95015  
1 1 1 -16 81  10 o 35.274  6.7289  738.894    247.704  670.022    414.173  777.246    309.071  32.380  10.408  35.530  8.1982  -3.150398      13.24863  
1 1 1 -16 81  11 o 17.042  7.4645  -16.2663   263.035  187.240    326.710  -391.2145  443.466  21.997  8.8806  18.044  8.5412  3.953693       12.32144  
1 1 1 -16 81  12 o 26.084  8.6886  409.600    287.449  331.699    359.298  548.118    479.112  25.081  9.5489  29.995  11.109  -4.914175      14.64910  
1 1 1 -16 81  13 f 37.521  7.9914  872.129    314.811  704.591    394.381  1166.37    522.648  32.749  10.107  41.148  11.356  -8.399063      15.20218  
1 1 1 -16 81  14 o 77.609  4.8337  3414.46    404.294  3509.32    553.091  3305.61    592.454  77.147  6.6853  74.114  7.4829  3.032845       10.03433  
1 1 1 -16 81  15 o 52.909  6.0500  1640.74    340.465  1600.83    458.367  1689.86    508.509  50.314  8.7275  51.020  9.5533  -0.7052994     12.93966  
1 1 1 -16 81  16 o 28.070  9.3675  506.683    334.069  697.516    414.793  154.377    563.592  32.032  10.426  24.905  10.917  7.127403       15.09589  
1 1 1 -16 81  17 o 23.723  8.6181  326.781    286.175  496.516    361.850  43.325     467.612  27.839  9.7363  22.163  9.8200  5.675463       13.82848  
1 1 1 -16 82  1  o 69.522  3.4047  2657.63    256.373  3662.67    531.924  2353.52    292.602  80.038  6.1839  65.053  4.1748  14.98483       7.461216  
1 1 1 -16 82  2  o 58.269  3.0221  1865.65    190.072  1403.08    264.280  2361.30    273.565  49.876  4.9579  65.276  3.8870  -15.39941      6.299917  
1 1 1 -16 82  3  o 49.135  3.5503  1335.82    187.669  1458.31    262.928  1208.61    267.952  50.906  4.8264  46.049  5.4799  4.856232       7.302314  
1 1 1 -16 82  4  o 27.149  1.1666  399.890    34.304   1.6815     218.599  409.944    34.734   16.011  6.9104  27.488  1.1667  -11.47738      7.008198  
1 1 1 -16 82  5  o 62.139  3.4176  2130.45    229.129  2102.89    318.957  2159.83    329.369  61.166  4.8544  61.949  4.9502  -0.7823601     6.933203  
1 1 1 -16 82  6  o 19.766  7.0462  202.725    190.259  93.125     249.132  356.095    294.709  18.623  7.6654  25.117  8.7866  -6.494305      11.66026  
1 1 1 -16 82  7  o 23.919  8.8691  297.204    305.541  509.333    394.835  -19.4505   482.401  29.177  10.172  22.548  9.9830  6.629395       14.25257  
1 1 1 -16 82  8  o 43.891  5.8276  1109.97    270.189  1179.43    413.985  1058.43    356.612  43.557  9.0699  41.692  8.1895  1.865543       12.22008  
1 1 1 -16 82  9  o 29.750  7.4839  537.930    240.933  691.655    354.923  406.550    328.115  33.049  9.4438  26.449  9.2701  6.600649       13.23332  
1 1 1 -16 82  10 o 38.294  7.8904  895.713    316.382  1224.69    431.133  511.818    465.730  44.046  9.3275  29.440  10.943  14.60662       14.37903  
1 1 1 -16 82  11 o 29.793  8.5428  554.223    289.943  541.668    369.253  574.413    468.238  29.439  9.8483  30.441  11.029  -1.001919      14.78614  
1 1 1 -16 82  12 o 38.286  7.2269  886.460    288.699  856.811    393.185  921.144    425.263  36.214  9.7901  37.305  10.222  -1.090923      14.15403  
1 1 1 -16 82  13 o 48.441  6.1601  1374.58    315.891  1071.31    426.919  1741.53    469.599  40.395  9.8470  52.967  8.4710  -12.57220      12.98932  
1 1 1 -16 82  14 o 17.355  7.7346  -46.4858   294.375  -11.0095   361.868  -115.8950  506.161  19.548  8.6510  21.489  9.8042  -1.940918      13.07524  
1 1 1 -16 82  15 o 41.717  7.8921  1083.31    343.537  1113.73    430.833  1030.21    569.263  40.879  9.8475  37.456  12.215  3.423073       15.69027  
1 1 1 -16 82  16 o 16.383  7.4394  -99.6453   287.100  -246.5533  378.989  98.195     439.806  17.341  8.1097  22.364  9.7269  -5.023260      12.66405  
1 1 1 -16 83  1  o 86.582  6.9827  4351.48    649.254  0.0000     0.0000   4351.48    649.254  ?       ?       86.582  6.9827  0.000000       6.982717  
1 1 1 -16 83  2  o 74.363  5.1064  3113.85    408.792  2838.92    573.924  3396.96    582.407  69.279  7.7834  76.344  7.1258  -7.065094      10.55261  
1 1 1 -16 83  3  o 61.495  2.2451  2061.98    149.538  2092.06    172.992  1973.05    297.429  61.874  2.5813  59.321  4.6669  2.553276       5.333217  
1 1 1 -16 83  4  o 14.361  5.8699  50.841     144.822  61.118     199.238  39.328     210.875  16.506  6.8304  16.443  6.9309  0.6337357E-01  9.730985  
1 1 1 -16 83  5  o 20.582  6.9958  233.186    186.355  354.939    288.515  146.029    244.108  25.014  8.6969  19.553  7.7491  5.461020       11.64841  
1 1 1 -16 83  6  o 27.133  7.4870  444.276    227.208  471.576    338.895  421.985    306.225  28.053  9.4346  26.723  8.9684  1.330772       13.01702  
1 1 1 -16 83  7  o 22.491  7.9606  275.361    242.430  327.734    376.067  238.121    317.117  25.455  9.7506  22.873  8.9017  2.582201       13.20281  
1 1 1 -16 83  8  o 53.660  5.3921  1640.71    309.143  1631.70    413.402  1652.14    465.633  52.347  7.5063  52.002  8.5655  0.3450432      11.38910  
1 1 1 -16 83  9  o 71.913  4.8618  2914.43    376.459  3245.72    510.311  2518.88    557.615  74.902  6.3501  64.619  8.1483  10.28276       10.33046  
1 1 1 -16 83  10 o 65.746  5.1348  2452.51    362.750  2514.02    484.376  2373.96    547.399  65.371  6.9476  62.495  8.2918  2.876595       10.81767  
1 1 1 -16 83  11 o 16.765  7.4541  -48.8549   271.722  -21.8319   342.793  -94.5382   445.701  19.097  8.4373  20.669  9.3388  -1.571985      12.58574  
1 1 1 -16 83  12 o 35.328  8.7143  792.609    331.365  620.616    442.076  1013.16    500.606  30.941  10.765  38.351  11.292  -7.410067      15.60086  
1 1 1 -16 83  13 o 23.302  8.7595  290.897    300.049  292.311    373.591  288.328    503.623  24.319  9.6028  25.975  10.813  -1.655720      14.46163  
1 1 1 -16 83  14 o 42.280  7.1491  1085.25    315.712  1243.96    427.120  894.110    468.745  43.800  9.2913  35.858  11.011  7.942116       14.40725  
1 1 1 -16 83  15 o 29.681  9.2236  572.074    327.808  643.038    406.592  440.279    554.104  31.033  10.333  28.277  11.511  2.755753       15.46883  
1 1 1 -16 84  1  o 74.165  7.4074  3230.68    587.063  0.0000     0.0000   3230.68    587.063  ?       ?       74.165  7.4074  0.000000       7.407372  
1 1 1 -16 84  2  o 62.268  8.2421  2325.66    542.204  0.0000     0.0000   2325.66    542.204  ?       ?       62.268  8.2421  0.000000       8.242099  
1 1 1 -16 84  3  o 30.709  10.901  571.112    454.865  0.0000     0.0000   571.112    454.865  ?       ?       30.709  10.901  0.000000       10.90050  
1 1 1 -16 84  4  o 27.559  7.9783  460.712    251.806  0.0000     0.0000   460.712    251.806  ?       ?       27.559  7.9783  0.000000       7.978307  
1 1 1 -16 84  5  f 15.334  6.4336  37.213     180.334  74.258     276.333  9.7326     237.999  18.977  7.9631  16.751  7.2202  2.225937       10.74905  
1 1 1 -16 84  6  o 32.706  6.8034  637.626    233.156  629.008    301.886  650.367    367.049  31.842  8.5660  32.082  9.7221  -0.2394810     12.95744  
1 1 1 -16 84  7  o 53.795  5.5818  1655.66    320.490  1490.78    457.236  1814.90    449.350  49.076  8.9311  55.061  7.7492  -5.985447      11.82433  
1 1 1 -16 84  8  o 17.026  7.3306  16.291     244.788  -67.1231   317.740  138.088    383.948  17.948  8.0146  22.375  9.3875  -4.427130      12.34339  
1 1 1 -16 84  9  o 15.734  7.1063  -94.6334   257.792  -98.5873   333.613  -88.7735   406.138  17.962  8.1009  19.922  8.9658  -1.960060      12.08348  
1 1 1 -16 84  10 o 61.077  5.6034  2141.17    366.545  2086.73    467.822  2227.72    589.894  59.031  7.4851  59.398  9.4885  -0.3669891     12.08547  
1 1 1 -16 84  11 o 47.084  7.0057  1323.51    346.379  1269.81    470.501  1387.05    511.812  44.019  10.085  45.691  10.555  -1.671783      14.59809  
1 1 1 -16 84  12 o 49.462  6.0490  1429.50    317.309  1372.16    436.781  1493.60    461.745  46.509  8.9961  48.467  9.1310  -1.957817      12.81816  
1 1 1 -16 84  13 o 19.757  8.2738  107.994    297.355  383.558    369.962  -394.8869  499.780  25.861  9.7256  19.060  9.0352  6.801016       13.27484  
1 1 1 -16 84  14 o 27.584  9.1431  480.902    318.456  440.715    397.621  552.796    531.828  27.111  10.105  29.795  11.547  -2.683929      15.34390  
1 1 1 -16 84  15 o 36.377  8.2179  837.166    316.146  775.795    425.437  912.847    472.444  33.713  10.513  36.143  11.047  -2.430859      15.24970  
1 1 1 -16 85  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 85  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 85  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 85  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 85  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 85  6  f 58.184  8.0268  2037.09    492.375  0.0000     0.0000   2037.09    492.375  ?       ?       58.184  8.0268  0.000000       8.026774  
1 1 1 -16 85  7  o 45.645  6.7125  1226.64    321.945  1104.28    438.213  1370.14    474.553  41.427  9.9011  46.380  9.7560  -4.952621      13.90002  
1 1 1 -16 85  8  f 54.270  5.6649  1692.13    328.073  1528.28    421.509  1943.94    522.530  50.156  8.0300  56.017  8.9108  -5.860744      11.99508  
1 1 1 -16 85  9  o 72.128  4.8401  2938.54    375.922  2743.52    505.788  3179.23    561.896  68.229  6.9409  73.292  7.1702  -5.062378      9.979382  
1 1 1 -16 85  10 o 19.859  8.1386  130.046    279.316  92.897     361.343  185.196    440.274  21.079  8.9867  23.858  10.033  -2.779070      13.46961  
1 1 1 -16 85  11 f 41.162  7.4480  1030.81    319.831  816.112    413.782  1349.44    504.090  35.002  10.255  44.958  10.536  -9.956482      14.70254  
1 1 1 -16 85  12 o 41.543  7.5743  1057.29    328.253  1316.58    421.781  659.016    522.738  45.552  8.8680  31.568  11.620  13.98364       14.61744  
1 1 1 -16 85  13 f 33.009  8.8165  701.570    321.169  577.183    405.973  909.639    525.064  29.819  10.319  35.851  11.733  -6.031763      15.62564  
1 1 1 -16 85  14 o 19.582  8.3188  84.322     307.625  -245.8454  382.961  684.874    516.492  17.505  8.1752  31.835  11.576  -14.32980      14.17164  
1 1 1 -16 86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 86  9  o 34.717  10.816  807.269    450.447  0.0000     0.0000   807.269    450.447  ?       ?       34.717  10.816  0.000000       10.81598  
1 1 1 -16 86  10 o 28.376  8.7717  505.966    296.917  703.622    389.508  231.796    458.745  32.728  10.035  24.724  10.309  8.004456       14.38646  
1 1 1 -16 86  11 o 24.393  8.8018  342.090    297.779  199.335    383.118  559.937    473.273  22.962  9.4844  29.805  11.041  -6.842764      14.55517  
1 1 1 -16 86  12 o 61.736  5.6673  2203.27    374.722  2150.50    491.937  2276.20    578.366  59.345  7.8458  59.862  9.2160  -0.5166588     12.10336  
1 1 1 -16 86  13 f 41.379  7.8289  1058.89    338.022  1021.55    433.466  1116.84    539.956  39.033  10.156  39.597  11.745  -0.5634384     15.52716  
1 1 1 -16 87  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 87  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 88  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 89  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 90  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 91  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 92  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 92  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 92  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 92  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -16 92  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 0   1  f 143.765 4.4590  11230.25   692.810  11230.25   692.810  11230.25   692.810  143.765 4.4590  143.765 4.4590  0.000000       0.000000  
1 1 1 -15 0   2  o 75.816  3.6666  3135.59    299.486  3135.59    299.486  3135.59    299.486  75.816  3.6666  75.816  3.6666  -0.000000      0.000000  
1 1 1 -15 0   3  f 319.156 7.8995  55342.96   2726.91  55342.96   2726.91  55342.96   2726.91  319.156 7.8995  319.156 7.8995  0.000000       0.000000  
1 1 1 -15 0   4  o 339.983 11.872  63033.33   4359.49  63033.33   4359.49  63033.33   4359.49  339.983 11.872  339.983 11.872  0.000000       0.000000  
1 1 1 -15 0   5  o 72.942  5.7138  2936.30    445.039  2936.30    445.039  2936.30    445.039  72.942  5.7138  72.942  5.7138  0.000000       0.000000  
1 1 1 -15 0   6  o 15.778  9.4313  139.926    286.107  139.926    286.107  139.926    286.107  15.778  9.4313  15.778  9.4313  -0.000000      0.000000  
1 1 1 -15 0   7  o 13.128  7.4171  122.761    161.743  122.761    161.743  122.761    161.743  13.128  7.4171  13.128  7.4171  -0.000000      0.000000  
1 1 1 -15 0   8  o 221.831 5.9525  26733.76   1427.86  26733.76   1427.86  26733.76   1427.86  221.831 5.9525  221.831 5.9525  -0.000000      0.000000  
1 1 1 -15 0   9  o 211.251 5.7477  24245.82   1312.91  24245.82   1312.91  24245.82   1312.91  211.251 5.7477  211.251 5.7477  0.000000       0.000000  
1 1 1 -15 0   10 o 646.993 15.283  228833.50  10696.22 228833.50  10696.22 228833.50  10696.22 646.993 15.283  646.993 15.283  -0.000000      0.000000  
1 1 1 -15 0   11 o 309.741 7.7644  52165.11   2601.12  52165.11   2601.12  52165.11   2601.12  309.741 7.7644  309.741 7.7644  0.000000       0.000000  
1 1 1 -15 0   12 o 10.881  6.8886  22.525     174.709  22.525     174.709  22.525     174.709  10.881  6.8886  10.881  6.8886  0.000000       0.000000  
1 1 1 -15 0   13 o 41.299  5.8430  978.755    246.283  978.755    246.283  978.755    246.283  41.299  5.8430  41.299  5.8430  -0.000000      0.000000  
1 1 1 -15 0   14 o 213.828 5.7751  24851.21   1335.29  24851.21   1335.29  24851.21   1335.29  213.828 5.7751  213.828 5.7751  0.000000       0.000000  
1 1 1 -15 0   15 o 171.844 5.0445  16052.91   937.081  16052.91   937.081  16052.91   937.081  171.844 5.0445  171.844 5.0445  -0.000000      0.000000  
1 1 1 -15 0   16 o 433.428 10.429  102502.80  4889.23  102502.80  4889.23  102502.80  4889.23  433.428 10.429  433.428 10.429  0.000000       0.000000  
1 1 1 -15 0   17 o 124.604 4.5346  8451.80    610.140  8451.80    610.140  8451.80    610.140  124.604 4.5346  124.604 4.5346  -0.000000      0.000000  
1 1 1 -15 0   18 o 24.297  10.127  452.434    266.278  452.434    266.278  452.434    266.278  24.297  10.127  24.297  10.127  -0.000000      0.000000  
1 1 1 -15 0   19 o 99.116  4.5710  5363.82    488.331  5363.82    488.331  5363.82    488.331  99.116  4.5710  99.116  4.5710  -0.000000      0.000000  
1 1 1 -15 0   20 o 64.092  4.9267  2269.85    337.361  2269.85    337.361  2269.85    337.361  64.092  4.9267  64.092  4.9267  -0.000000      0.000000  
1 1 1 -15 0   21 o 106.558 4.4600  6199.60    512.695  6199.60    512.695  6199.60    512.695  106.558 4.4600  106.558 4.4600  0.000000       0.000000  
1 1 1 -15 0   22 o 278.474 7.1421  42501.38   2150.96  42501.38   2150.96  42501.38   2150.96  278.474 7.1421  278.474 7.1421  0.000000       0.000000  
1 1 1 -15 0   23 o 29.220  9.9810  608.677    283.547  608.677    283.547  608.677    283.547  29.220  9.9810  29.220  9.9810  -0.000000      0.000000  
1 1 1 -15 0   24 o 15.054  9.1918  114.398    284.009  114.398    284.009  114.398    284.009  15.054  9.1918  15.054  9.1918  -0.000000      0.000000  
1 1 1 -15 0   25 o 88.913  4.7698  4352.36    456.319  4352.36    456.319  4352.36    456.319  88.913  4.7698  88.913  4.7698  0.000000       0.000000  
1 1 1 -15 0   26 o 19.150  10.593  291.941    321.471  291.941    321.471  291.941    321.471  19.150  10.593  19.150  10.593  -0.000000      0.000000  
1 1 1 -15 0   27 o 112.462 4.7590  6965.58    577.323  6965.58    577.323  6965.58    577.323  112.462 4.7590  112.462 4.7590  0.000000       0.000000  
1 1 1 -15 0   28 o 17.178  10.341  190.374    348.928  190.374    348.928  190.374    348.928  17.178  10.341  17.178  10.341  -0.000000      0.000000  
1 1 1 -15 0   29 o ?       ?       -304.3301  31.069   -304.3301  31.069   -304.3301  31.069   ?       ?       ?       ?       0.000000       0.000000  
1 1 1 -15 0   30 f 55.396  2.6946  1685.11    160.805  1685.11    160.805  1685.11    160.805  55.396  2.6946  55.396  2.6946  -0.000000      0.000000  
1 1 1 -15 0   31 o 18.728  10.807  312.844    353.729  312.844    353.729  312.844    353.729  18.728  10.807  18.728  10.807  0.000000       0.000000  
1 1 1 -15 0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 1   1  o 256.413 4.5730  35639.40   1270.01  35031.39   1795.59  36248.06   1796.55  254.092 6.5245  258.475 6.4173  -4.382813      9.151519  
1 1 1 -15 1   2  o 91.086  2.6779  4494.57    264.188  4554.04    381.530  4439.78    366.178  91.671  3.8426  90.516  3.7351  1.155663       5.358756  
1 1 1 -15 1   3  o 272.808 4.8592  40348.19   1435.78  39983.39   2031.09  40712.57   2029.90  271.422 6.9090  273.891 6.8427  -2.469513      9.724029  
1 1 1 -15 1   4  o 56.122  3.3745  1712.81    204.170  1820.94    323.796  1641.44    263.056  57.713  5.2370  54.847  4.4670  2.865574       6.883325  
1 1 1 -15 1   5  o 223.066 8.3796  27040.18   2024.55  27040.18   2024.55  0.0000     0.0000   223.066 8.3796  ?       ?       0.000000       8.379638  
1 1 1 -15 1   6  o 304.695 7.5930  50427.50   2505.82  51748.75   3543.89  49106.43   3543.65  308.222 10.616  300.203 10.898  8.019226       15.21410  
1 1 1 -15 1   7  o 255.237 4.6294  35321.28   1279.79  34947.05   1807.90  35697.15   1811.89  253.730 6.5786  256.444 6.5233  -2.713623      9.264523  
1 1 1 -15 1   8  o 306.183 5.3697  50853.75   1780.74  49634.98   2516.66  52075.78   2520.03  302.228 7.6881  309.594 7.5153  -7.365234      10.75110  
1 1 1 -15 1   9  o 255.685 4.6462  35450.58   1286.68  35652.97   1820.83  35248.73   1818.45  256.245 6.5606  254.785 6.5896  1.459778       9.298596  
1 1 1 -15 1   10 o 160.179 3.4200  13905.62   593.339  13880.65   844.280  13929.98   834.031  159.971 4.8728  160.258 4.8050  -0.2874756     6.843358  
1 1 1 -15 1   11 o 145.305 3.2491  11442.67   511.346  11435.57   589.924  11464.13   1025.44  145.242 3.7500  145.277 6.5170  -0.3472900E-01 7.518888  
1 1 1 -15 1   12 o 114.683 2.9465  7127.28    366.001  6278.41    513.214  8005.83    522.108  107.593 4.4040  121.513 3.9670  -13.92004      5.927259  
1 1 1 -15 1   13 o 143.689 3.1982  11190.42   497.729  11059.48   703.932  11321.32   703.857  142.785 4.5518  144.468 4.4982  -1.683228      6.399427  
1 1 1 -15 1   14 o 153.259 3.3238  12732.39   551.733  12687.41   777.266  12778.07   783.305  152.915 4.6930  153.459 4.7127  -0.5441437     6.650850  
1 1 1 -15 1   15 o 42.531  4.1244  990.376    187.604  973.097    259.996  1009.14    270.967  41.914  5.8896  42.676  6.0301  -0.7621117     8.429134  
1 1 1 -15 1   16 o 125.975 3.1622  8603.44    431.458  7843.19    615.531  9337.78    604.955  120.201 4.7279  131.184 4.2577  -10.98318      6.362487  
1 1 1 -15 1   17 o 190.654 3.7950  19718.72   783.668  19781.78   1104.71  19654.83   1111.88  190.796 5.3457  190.177 5.3979  0.6195984      7.597004  
1 1 1 -15 1   18 o 328.802 5.7244  58822.32   2038.62  57773.66   2881.40  59873.39   2884.70  325.066 8.1839  330.973 8.0471  -5.906555      11.47747  
1 1 1 -15 1   19 o 173.582 3.6124  16355.03   679.160  17062.54   956.874  15636.76   964.123  177.112 4.9881  169.510 5.2513  7.601532       7.242742  
1 1 1 -15 1   20 o 205.200 4.0152  22887.89   892.396  22731.33   1262.41  23044.26   1261.67  204.111 5.7104  205.522 5.6678  -1.411499      8.045661  
1 1 1 -15 1   21 o 49.917  3.9782  1364.31    213.298  1082.93    293.214  1680.56    310.857  44.019  6.3322  55.233  5.2598  -11.21374      8.231800  
1 1 1 -15 1   22 o 33.921  5.2718  644.387    187.398  883.541    265.801  408.022    264.247  39.589  6.4186  27.015  8.2625  12.57448       10.46269  
1 1 1 -15 1   23 f 97.844  3.1919  5210.51    338.260  5398.02    472.898  5014.05    484.039  99.368  4.3939  95.711  4.6693  3.657341       6.411581  
1 1 1 -15 1   24 o 71.006  3.5294  2750.36    271.435  2879.72    385.030  2622.55    382.715  72.243  4.9506  68.868  5.1686  3.374825       7.156983  
1 1 1 -15 1   25 o 115.191 3.2701  7240.66    407.992  7872.59    578.219  6614.08    575.763  119.724 4.4590  109.598 4.8503  10.12626       6.588532  
1 1 1 -15 1   26 f 39.521  2.6226  854.441    111.625  1653.74    335.702  755.079    118.360  54.212  5.8076  37.086  2.9716  17.12636       6.523709  
1 1 1 -15 1   27 o 15.566  6.7875  -23.7997   215.326  -46.5028   313.700  -3.5732    296.095  18.415  8.1066  18.519  8.0177  -0.1046543     11.40179  
1 1 1 -15 1   28 f 16.841  7.2010  18.586     233.247  -182.6163  320.000  246.652    340.693  16.796  7.7124  23.643  9.2197  -6.847345      12.02019  
1 1 1 -15 1   29 o 22.179  1.2301  267.786    29.433   149.903    41.576   386.221    41.674   16.398  2.4130  26.626  1.4505  -10.22766      2.815445  
1 1 1 -15 1   30 o 50.884  2.3927  1417.61    131.870  1446.31    140.681  1209.80    378.573  51.364  2.5288  43.997  8.2474  7.367359       8.626355  
1 1 1 -15 1   31 o 34.233  7.4049  748.688    266.573  566.293    365.298  956.460    389.884  28.497  9.7929  36.920  9.6443  -8.422352      13.74460  
1 1 1 -15 1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 2   1  o 167.274 3.4280  15161.00   621.065  14963.92   877.887  15358.47   878.752  166.138 4.8787  168.316 4.8203  -2.178177      6.858290  
1 1 1 -15 2   2  f 339.232 5.8374  62417.33   2144.79  63331.80   3033.51  61503.24   3032.86  341.452 8.2025  336.471 8.3221  4.980499       11.68497  
1 1 1 -15 2   3  o 259.045 5.1840  36385.50   1454.49  37485.29   2521.17  35836.86   1780.71  262.619 8.8635  257.002 6.3971  5.617432       10.93092  
1 1 1 -15 2   4  o 210.904 4.5758  24112.45   1045.25  22339.41   1802.89  25010.16   1282.86  202.779 8.2087  214.746 5.5155  -11.96718      9.889589  
1 1 1 -15 2   5  o 311.365 7.7312  52657.60   2607.26  52657.60   2607.26  0.0000     0.0000   311.365 7.7312  ?       ?       0.000000       7.731178  
1 1 1 -15 2   6  o 270.863 6.8687  39829.24   2015.08  38669.89   2848.50  40990.62   2851.00  266.545 9.8668  274.465 9.5905  -7.919800      13.75977  
1 1 1 -15 2   7  o 185.170 4.2458  18587.06   851.537  19021.25   1473.19  18369.20   1043.53  187.143 7.2680  184.035 5.2352  3.108017       8.957179  
1 1 1 -15 2   8  o 210.829 4.0292  24093.93   920.065  23642.64   1299.91  24546.98   1302.44  208.744 5.7495  212.706 5.6534  -3.961487      8.063313  
1 1 1 -15 2   9  o 251.382 4.5748  34266.32   1245.60  34416.82   1762.89  34116.29   1760.19  251.773 6.4647  250.669 6.4832  1.103500       9.155521  
1 1 1 -15 2   10 o 87.544  2.8153  4152.59    266.946  4229.58    378.220  4076.17    376.821  88.329  3.9534  86.711  4.0123  1.618073       5.632754  
1 1 1 -15 2   11 o 165.355 3.4518  14819.83   618.215  14293.53   714.642  16384.88   1232.35  162.366 4.0637  173.676 6.5513  -11.30997      7.709290  
1 1 1 -15 2   12 o 23.361  5.2022  307.860    128.251  296.556    172.492  321.834    191.786  23.087  6.5790  24.086  6.9600  -0.9993534     9.577257  
1 1 1 -15 2   13 o 125.994 3.0372  8603.38    414.477  8898.96    586.237  8307.96    586.081  128.096 4.2254  123.763 4.3722  4.332954       6.080303  
1 1 1 -15 2   14 o 316.710 5.5508  54467.09   1904.09  56029.82   2693.32  52905.59   2692.26  320.812 7.7512  311.692 7.9748  9.120270       11.12109  
1 1 1 -15 2   15 o 259.700 4.7253  36602.32   1329.15  36710.13   1880.57  36494.71   1878.82  259.807 6.6830  259.041 6.6965  0.7656250      9.460710  
1 1 1 -15 2   16 o 168.641 3.5007  15421.94   639.433  15613.97   904.243  15229.87   904.346  169.579 4.9231  167.475 4.9856  2.104370       7.006648  
1 1 1 -15 2   17 o 170.868 3.5677  15835.29   660.272  15588.12   933.696  16082.53   933.835  169.396 5.0890  172.070 5.0107  -2.673523      7.141758  
1 1 1 -15 2   18 o 160.354 3.4447  13948.89   598.271  14787.23   846.902  13113.79   845.266  164.977 4.7396  155.331 5.0242  9.646103       6.906933  
1 1 1 -15 2   19 o 215.408 4.1232  25204.09   961.976  25438.01   1361.20  24970.69   1359.68  216.084 5.8161  214.079 5.8639  2.004623       8.259096  
1 1 1 -15 2   20 o 140.686 3.2930  10745.53   501.771  10044.50   716.104  11421.70   703.292  135.818 4.8680  144.890 4.4815  -9.072159      6.616743  
1 1 1 -15 2   21 o 80.910  2.7780  3553.45    243.449  3403.07    306.523  3810.37    400.661  79.119  3.5770  83.516  4.4453  -4.397293      5.705757  
1 1 1 -15 2   22 o 50.010  3.8546  1370.36    207.177  1313.20    293.605  1427.05    292.384  48.615  5.6833  50.764  5.4007  -2.149044      7.840111  
1 1 1 -15 2   23 o 60.742  3.7450  2019.39    245.182  1906.96    339.820  2141.47    354.101  58.682  5.4074  62.238  5.3035  -3.555843      7.574116  
1 1 1 -15 2   24 o 32.420  2.1577  573.253    75.332   965.131    308.814  548.458    77.678   41.044  7.2097  31.694  2.2780  9.349943       7.561008  
1 1 1 -15 2   25 o 105.967 3.1274  6123.58    358.943  5763.94    489.008  6543.70    528.536  102.459 4.4065  109.148 4.4708  -6.688789      6.277390  
1 1 1 -15 2   26 o 93.680  3.1037  4791.29    314.922  4988.44    481.838  4644.28    416.093  95.101  4.6778  91.931  4.1789  3.170616       6.272578  
1 1 1 -15 2   27 o 39.678  5.6521  896.402    236.037  936.105    343.281  860.799    325.077  39.568  8.2761  37.956  8.1508  1.611790       11.61587  
1 1 1 -15 2   28 o 13.327  6.2074  -179.7638  218.464  -463.3741  315.852  80.358     302.490  14.048  6.7952  19.888  8.3376  -5.839509      10.75595  
1 1 1 -15 2   29 o 24.064  1.7268  316.556    44.710   23.396     646.401  317.965    44.817   25.851  11.495  24.118  1.7271  1.732813       11.62427  
1 1 1 -15 2   30 o 87.054  3.1596  4183.04    297.914  4244.79    369.131  4067.66    504.547  87.261  3.9056  84.036  5.5750  3.225227       6.806910  
1 1 1 -15 2   31 f 42.636  5.3646  1073.90    242.248  832.509    317.130  1412.08    375.366  35.395  8.3986  47.152  7.6090  -11.75666      11.33282  
1 1 1 -15 2   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 3   1  o 329.402 8.1060  58937.01   2892.04  60888.70   4090.05  56985.47   4089.89  334.343 11.294  323.385 11.677  10.95810       16.24535  
1 1 1 -15 3   2  o 324.111 6.4932  56997.94   2279.41  59223.19   3949.55  55886.57   2791.17  329.777 11.057  320.772 8.0338  9.005188       13.66783  
1 1 1 -15 3   3  o 258.790 5.3475  36316.80   1498.88  40308.84   2602.52  34335.41   1833.50  272.333 8.8231  251.534 6.7300  20.79883       11.09687  
1 1 1 -15 3   4  o 455.962 10.880  113224.50  5373.16  110787.40  7598.00  115662.60  7599.60  449.698 15.599  459.597 15.267  -9.899292      21.82685  
1 1 1 -15 3   5  o 228.270 5.9260  28268.01   1465.14  28268.01   1465.14  0.0000     0.0000   228.270 5.9260  ?       ?       0.000000       5.925963  
1 1 1 -15 3   6  o 133.862 3.5497  9710.44    514.653  9471.47    628.530  10196.66   896.532  132.181 4.3902  137.087 6.0381  -4.905640      7.465413  
1 1 1 -15 3   7  o 194.938 4.3857  20601.07   925.982  22579.59   1608.51  19620.38   1132.45  203.895 7.2836  190.184 5.4976  13.71133       9.125512  
1 1 1 -15 3   8  o 250.503 4.6104  34025.00   1250.90  33479.19   1768.34  34571.69   1769.75  248.327 6.5746  252.356 6.4748  -4.028687      9.227624  
1 1 1 -15 3   9  o 302.576 5.3459  49667.60   1751.98  51574.52   2478.10  47761.97   2477.26  308.079 7.4265  296.433 7.7157  11.64551       10.70912  
1 1 1 -15 3   10 o 153.214 3.3286  12722.17   552.365  12642.38   781.651  12801.77   780.672  152.676 4.7269  153.637 4.6914  -0.9611206     6.659774  
1 1 1 -15 3   11 o 117.479 2.9698  7478.78    377.881  7386.42    436.946  7752.81    752.640  116.738 3.4558  119.505 5.8147  -2.767212      6.764136  
1 1 1 -15 3   12 o 109.618 2.9256  6511.54    347.354  6558.29    402.133  6374.18    689.370  109.998 3.3753  108.187 5.9055  1.811829       6.802007  
1 1 1 -15 3   13 o 213.134 4.0545  24633.48   935.964  25795.02   1325.69  23479.04   1321.63  217.967 5.6154  207.927 5.8685  10.03961       8.122327  
1 1 1 -15 3   14 o 47.540  3.6562  1232.57    186.816  1084.85    277.983  1354.24    252.280  44.297  5.9439  49.733  4.7409  -5.436363      7.603015  
1 1 1 -15 3   15 o 231.976 4.2803  29193.45   1075.45  29303.87   1524.43  29084.04   1517.42  232.211 6.0612  231.339 6.0560  0.8719177      8.568161  
1 1 1 -15 3   16 o 169.016 3.5374  15491.03   647.568  15235.76   913.546  15748.83   918.070  167.502 5.0355  170.305 4.9771  -2.802338      7.080090  
1 1 1 -15 3   17 o 147.163 3.4228  11744.94   545.566  11458.37   747.584  12071.44   797.972  145.262 4.7516  149.081 4.9419  -3.818878      6.855649  
1 1 1 -15 3   18 o 32.873  5.4962  603.477    188.779  683.434    268.077  524.821    265.885  34.743  7.3532  30.439  7.9706  4.304241       10.84435  
1 1 1 -15 3   19 o 88.863  3.0969  4283.73    298.074  4415.29    423.446  4154.51    419.659  90.143  4.3371  87.321  4.4520  2.822777       6.215320  
1 1 1 -15 3   20 o 95.933  3.1499  4995.44    327.292  4000.90    471.940  5916.97    454.286  85.542  5.1172  104.332 4.0202  -18.78919      6.507484  
1 1 1 -15 3   21 o 100.250 3.0457  5457.94    330.706  5269.88    468.593  5644.56    466.789  98.358  4.3986  101.817 4.2328  -3.458420      6.104472  
1 1 1 -15 3   22 o 33.255  5.2683  619.870    183.430  714.225    261.259  528.141    257.598  35.368  7.0672  30.298  7.8026  5.070936       10.52742  
1 1 1 -15 3   23 o 63.485  3.6488  2204.06    249.842  1673.58    346.817  2776.35    360.223  54.813  5.9367  71.063  4.7068  -16.24991      7.576127  
1 1 1 -15 3   24 o 90.586  3.2541  4471.54    319.273  4186.95    453.173  4752.02    449.884  87.208  4.8164  93.131  4.4600  -5.923019      6.564267  
1 1 1 -15 3   25 o 107.783 3.3205  6340.83    387.633  6403.34    559.947  6283.31    537.156  107.857 4.7932  106.896 4.6395  0.9611588      6.670833  
1 1 1 -15 3   26 o 19.968  7.5513  172.506    223.740  187.614    316.942  157.498    315.892  22.436  8.8495  21.857  8.7645  0.5795746      12.45506  
1 1 1 -15 3   27 o 42.136  5.3667  1004.51    239.365  1395.92    349.757  659.679    328.288  49.237  6.7350  32.979  8.9584  16.25853       11.20772  
1 1 1 -15 3   28 o 20.465  7.5860  202.143    223.492  270.611    328.151  142.909    305.224  23.881  9.1176  21.030  8.5502  2.850903       12.49946  
1 1 1 -15 3   29 f 29.857  1.7349  486.462    55.862   323.702    79.134   648.129    78.868   24.091  3.1050  34.418  2.1260  -10.32721      3.763151  
1 1 1 -15 3   30 o 32.348  2.5809  577.462    89.672   542.720    92.154   1196.43    388.973  31.315  2.7447  43.514  8.5582  -12.19869      8.987563  
1 1 1 -15 3   31 o 62.172  2.9938  2144.51    201.601  1926.07    230.034  2867.88    418.612  58.482  3.6499  69.689  5.5931  -11.20720      6.678641  
1 1 1 -15 3   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 4   1  o 180.971 7.2380  17778.52   1418.73  0.0000     0.0000   17778.52   1418.73  ?       ?       180.971 7.2380  0.000000       7.238033  
1 1 1 -15 4   2  o 116.827 5.8179  7402.85    736.169  0.0000     0.0000   7402.85    736.169  ?       ?       116.827 5.8179  0.000000       5.817870  
1 1 1 -15 4   3  o 372.979 9.0406  75623.24   3652.16  76520.99   5166.68  74726.71   5163.18  374.489 12.738  370.041 12.882  4.448181       18.11669  
1 1 1 -15 4   4  o 390.290 7.6908  82726.29   3251.10  85089.14   3981.72  78000.24   5631.21  395.567 9.2935  377.803 13.761  17.76358       16.60567  
1 1 1 -15 4   5  o 204.906 4.5237  22761.17   1003.98  23309.94   1229.49  21662.95   1739.30  207.313 5.4756  199.682 8.0420  7.630722       9.729129  
1 1 1 -15 4   6  o 254.794 5.3164  35209.41   1467.17  34252.80   1796.52  37125.12   2542.31  251.208 6.6028  261.275 8.9838  -10.06767      11.14924  
1 1 1 -15 4   7  o 33.515  4.6972  620.928    165.829  882.763    282.882  483.840    204.687  39.768  6.8126  29.277  6.6113  10.49099       9.493176  
1 1 1 -15 4   8  o 157.231 3.3027  13396.52   562.443  13474.33   794.314  13318.28   796.519  157.638 4.6522  156.721 4.6924  0.9171448      6.607746  
1 1 1 -15 4   9  f 146.707 3.1950  11663.22   507.689  11738.78   718.476  11587.86   717.486  147.136 4.5084  146.186 4.5314  0.9498138      6.392161  
1 1 1 -15 4   10 o 72.195  2.8084  2824.13    219.599  2682.33    258.122  3195.71    417.839  70.351  3.3876  76.585  5.0659  -6.234528      6.094142  
1 1 1 -15 4   11 o 284.035 5.0339  43769.33   1548.64  42341.60   1787.74  48061.66   3099.76  279.269 5.9103  296.923 9.6386  -17.65390      11.30641  
1 1 1 -15 4   12 o 109.905 2.9405  6545.83    350.039  6699.45    405.250  6094.48    694.653  111.176 3.3654  105.759 6.0900  5.416611       6.958045  
1 1 1 -15 4   13 o 314.604 5.5010  53732.95   1874.45  54176.30   2651.96  53290.32   2649.79  315.514 7.7603  312.912 7.8184  2.602081       11.01591  
1 1 1 -15 4   14 o 277.108 4.9561  41674.91   1487.52  41534.24   2104.37  41815.40   2102.98  276.340 7.0308  277.278 7.0024  -0.9385376     9.923050  
1 1 1 -15 4   15 o 288.479 5.1264  45181.31   1601.77  44921.20   2267.52  45440.39   2262.98  287.280 7.2875  288.946 7.2309  -1.666718      10.26612  
1 1 1 -15 4   16 o 393.623 6.7183  84316.19   2864.26  84864.41   4051.26  83768.28   4050.11  393.950 9.4946  391.374 9.5544  2.576263       13.46980  
1 1 1 -15 4   17 o 81.774  3.1352  3625.61    277.679  3304.22    401.893  3919.19    384.104  77.858  4.7891  84.981  4.1731  -7.123314      6.352140  
1 1 1 -15 4   18 o 234.734 4.6772  29933.71   1189.15  29750.80   1578.32  30173.87   1808.50  233.730 6.2346  235.192 7.0995  -1.461456      9.448439  
1 1 1 -15 4   19 o 139.313 3.2579  10530.49   491.583  11144.19   697.204  9923.77    693.221  143.192 4.4954  135.098 4.7376  8.094864       6.530935  
1 1 1 -15 4   20 o 52.370  3.8801  1498.58    218.520  1823.09    321.738  1220.70    297.725  57.607  5.2130  46.909  5.9972  10.69820       7.946172  
1 1 1 -15 4   21 o 87.081  3.0691  4118.47    289.473  4169.16    411.251  4068.69    407.527  87.491  4.3399  86.317  4.3733  1.173180       6.161168  
1 1 1 -15 4   22 o 121.812 3.1749  8068.11    418.877  7959.67    587.366  8180.33    597.529  120.748 4.4911  122.407 4.5069  -1.658882      6.362613  
1 1 1 -15 4   23 o 59.362  3.7926  1929.55    242.572  1920.80    339.112  1938.72    347.125  58.902  5.3747  59.153  5.4802  -0.2511139     7.675906  
1 1 1 -15 4   24 o 26.715  1.5866  388.440    45.704   388.213    46.266   397.623    293.982  26.706  1.6070  26.852  8.7792  -0.1463985     8.925103  
1 1 1 -15 4   25 o 101.764 3.3284  5652.70    366.859  5903.98    534.351  5428.66    504.563  103.575 4.7632  99.342  4.6893  4.232414       6.684172  
1 1 1 -15 4   26 o 67.560  3.9110  2512.02    284.961  2798.57    400.325  2217.69    405.720  70.880  5.2520  62.764  6.0430  8.116062       8.006273  
1 1 1 -15 4   27 o 42.352  5.3614  1014.66    240.428  1082.88    351.798  954.879    329.344  42.797  7.8798  40.137  7.8571  2.659943       11.12766  
1 1 1 -15 4   28 o 48.776  4.8101  1337.08    250.810  1208.99    365.844  1450.67    344.513  45.082  7.7732  50.106  6.5013  -5.024662      10.13358  
1 1 1 -15 4   29 o ?       ?       -146.3018  27.995   -149.4512  28.040   835.586    495.097  ?       ?       35.640  11.371  0.000000       11.37089  
1 1 1 -15 4   30 o 42.760  2.7761  1009.03    127.873  951.964    136.074  1440.09    373.983  41.446  3.0527  48.728  7.3117  -7.281315      7.923387  
1 1 1 -15 4   31 o 23.321  1.2618  296.674    31.755   302.652    31.893   -387.4745  341.171  23.557  1.2545  14.809  7.1382  8.747843       7.247557  
1 1 1 -15 4   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 5   1  o 95.871  5.5465  5001.22    573.474  0.0000     0.0000   5001.22    573.474  ?       ?       95.871  5.5465  0.000000       5.546454  
1 1 1 -15 5   2  o 184.457 7.3323  18471.55   1464.90  0.0000     0.0000   18471.55   1464.90  ?       ?       184.457 7.3323  0.000000       7.332340  
1 1 1 -15 5   3  f 341.131 11.861  63435.76   4382.50  63435.76   4382.50  0.0000     0.0000   341.131 11.861  ?       ?       0.000000       11.86126  
1 1 1 -15 5   4  o 228.425 4.9157  28289.99   1216.17  28081.76   1490.38  28704.98   2103.99  227.515 6.0481  229.833 8.4521  -2.317993      10.39311  
1 1 1 -15 5   5  o 301.314 5.7716  49249.98   1883.60  47262.59   2475.98  51980.33   2902.11  294.974 7.7498  309.230 8.6649  -14.25568      11.62497  
1 1 1 -15 5   6  o 242.160 5.1352  31801.35   1346.89  31708.50   1648.58  31987.75   2335.76  241.721 6.2969  242.533 8.8918  -0.8112488     10.89560  
1 1 1 -15 5   7  o 145.344 3.7019  11448.87   582.759  12425.49   1009.83  10961.22   713.568  151.315 6.1616  142.184 4.6335  9.130554       7.709430  
1 1 1 -15 5   8  o 142.295 3.1921  10971.77   491.968  10700.16   693.027  11247.69   698.501  140.479 4.5548  144.032 4.4775  -3.552292      6.387043  
1 1 1 -15 5   9  o 184.389 3.6449  18427.63   727.940  17507.12   1030.94  19342.88   1027.99  179.643 5.2985  188.843 5.0259  -9.200180      7.303050  
1 1 1 -15 5   10 o 212.431 4.0392  24465.46   929.367  24181.89   1073.61  25313.19   1856.29  211.156 4.6943  215.740 7.9441  -4.584778      9.227428  
1 1 1 -15 5   11 f 116.164 2.9551  7312.29    371.802  7526.24    431.669  6697.46    731.784  117.840 3.3821  110.892 6.1164  6.947823       6.989222  
1 1 1 -15 5   12 o 20.726  6.0434  237.467    144.013  268.921    170.889  160.386    267.513  22.137  6.6170  21.292  8.2067  0.8443623      10.54207  
1 1 1 -15 5   13 o 378.428 6.5167  77824.21   2671.03  77623.86   3084.54  78424.82   5340.56  377.718 7.5397  377.918 13.047  -0.1999512     15.06908  
1 1 1 -15 5   14 o 234.392 4.3582  29802.26   1106.42  29584.84   1565.56  30019.22   1563.88  233.337 6.1947  235.050 6.1429  -1.713303      8.724031  
1 1 1 -15 5   15 o 141.019 3.2442  10780.34   495.519  11031.14   699.391  10527.56   702.155  142.581 4.5288  139.281 4.6545  3.300125       6.494188  
1 1 1 -15 5   16 o 167.350 3.4927  15186.73   633.073  15303.39   901.756  15073.34   888.982  167.879 4.9593  166.615 4.9262  1.263657       6.990143  
1 1 1 -15 5   17 o 155.316 3.4106  13082.38   573.741  14325.56   819.122  11885.04   803.877  162.430 4.6560  147.917 5.0177  14.51273       6.845079  
1 1 1 -15 5   18 o 81.928  3.2237  3640.51    286.065  3754.70    415.757  3537.84    394.217  83.008  4.6430  80.579  4.5354  2.428810       6.490519  
1 1 1 -15 5   19 o 97.545  2.9474  5160.98    311.401  5155.61    464.760  5165.35    419.486  97.401  4.4055  97.524  3.9713  -0.1238785     5.931263  
1 1 1 -15 5   20 o 64.030  3.5663  2233.81    246.346  1893.22    351.213  2563.66    345.625  58.649  5.5968  68.468  4.6889  -9.818901      7.301349  
1 1 1 -15 5   21 o 54.819  3.6189  1641.03    213.666  1999.50    305.678  1298.56    298.779  60.378  4.7116  48.380  5.8185  11.99787       7.486912  
1 1 1 -15 5   22 o 143.783 3.3066  11245.02   514.941  11064.95   724.378  11428.99   732.159  142.309 4.6996  144.638 4.6736  -2.329102      6.627883  
1 1 1 -15 5   23 o 155.698 3.4764  13206.94   586.251  12836.43   827.563  13580.18   830.614  153.014 4.9934  157.431 4.8712  -4.416977      6.975904  
1 1 1 -15 5   24 o 105.310 3.2354  6043.11    369.036  6039.67    524.617  6046.48    519.217  104.946 4.6154  105.019 4.5647  -0.7343292E-01 6.491368  
1 1 1 -15 5   25 o 72.897  3.6776  2912.86    289.426  3110.91    431.661  2751.10    390.107  74.845  5.3604  70.430  5.1496  4.414551       7.433196  
1 1 1 -15 5   26 o 101.305 3.3948  5612.53    372.494  5669.72    524.167  5554.19    529.444  101.338 4.7756  100.260 4.8755  1.078217       6.824757  
1 1 1 -15 5   27 o 33.698  6.7091  663.707    236.263  518.455    359.552  774.084    313.429  29.667  9.7095  35.918  8.2327  -6.250847      12.72998  
1 1 1 -15 5   28 o 60.796  2.6212  2018.84    172.606  2019.26    195.423  2017.37    368.095  60.729  2.9710  59.562  5.7785  1.167198       6.497572  
1 1 1 -15 5   29 o 52.359  1.8610  1492.14    105.538  1574.00    149.689  1411.22    148.822  53.653  2.5759  50.705  2.7198  2.948193       3.745964  
1 1 1 -15 5   30 o 35.812  1.6024  698.029    62.153   705.817    63.197   468.166    343.339  36.009  1.6204  27.347  9.4885  8.661682       9.625842  
1 1 1 -15 5   31 o 45.210  1.8586  1117.39    91.011   1159.42    92.249   -417.4873  557.420  46.055  1.8493  19.312  9.2607  26.74316       9.443585  
1 1 1 -15 5   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 6   1  o 146.988 4.5199  11711.67   719.589  0.0000     0.0000   11711.67   719.589  ?       ?       146.988 4.5199  0.000000       4.519922  
1 1 1 -15 6   2  o 23.216  7.5766  281.126    218.995  281.126    218.995  0.0000     0.0000   23.216  7.5766  ?       ?       0.000000       7.576643  
1 1 1 -15 6   3  o 64.827  5.8636  2298.18    407.256  2298.18    407.256  0.0000     0.0000   64.827  5.8636  ?       ?       0.000000       5.863639  
1 1 1 -15 6   4  o 298.771 10.573  48603.88   3421.28  48603.88   3421.28  0.0000     0.0000   298.771 10.573  ?       ?       0.000000       10.57256  
1 1 1 -15 6   5  o 301.658 5.7430  49362.03   1876.38  47835.17   2468.09  51453.17   2888.38  296.761 7.6787  307.653 8.6681  -10.89261      11.58005  
1 1 1 -15 6   6  f 384.799 7.5741  80431.46   3156.70  81184.00   3866.02  78926.07   5467.92  386.310 9.2397  379.988 13.286  6.321625       16.18271  
1 1 1 -15 6   7  o 239.578 6.2612  31151.32   1624.71  30750.75   2299.54  31550.59   2295.83  237.766 8.9294  240.854 8.8007  -3.087509      12.53738  
1 1 1 -15 6   8  o 337.475 6.7804  61843.04   2478.36  65672.55   4294.80  59931.17   3034.59  346.909 11.430  331.972 8.4397  14.93692       14.20845  
1 1 1 -15 6   9  o 177.131 3.5893  17005.09   688.604  16471.67   795.697  18596.29   1374.28  174.304 4.2147  185.036 6.8572  -10.73170      8.048955  
1 1 1 -15 6   10 o 161.167 3.3246  14077.29   580.351  13494.83   670.630  15814.33   1158.12  157.775 3.9244  170.659 6.2655  -12.88431      7.393074  
1 1 1 -15 6   11 o 11.872  5.1414  -18.4970   121.836  -133.0575  149.768  205.649    209.492  11.157  5.1775  20.910  7.4002  -9.753101      9.031633  
1 1 1 -15 6   12 o 162.363 3.4278  14289.21   602.806  13979.75   696.426  15213.72   1203.72  160.569 4.0044  167.325 6.6419  -6.756271      7.755686  
1 1 1 -15 6   13 o 262.050 4.7600  37257.86   1351.03  36375.81   1560.80  39893.72   2698.12  258.841 5.5673  270.473 9.2102  -11.63126      10.76206  
1 1 1 -15 6   14 o 295.641 5.2457  47448.62   1679.72  45215.38   2376.86  49676.69   2374.11  288.214 7.6141  302.169 7.2540  -13.95535      10.51645  
1 1 1 -15 6   15 o 242.806 4.4673  31988.35   1174.84  31391.33   1662.34  32584.12   1660.60  240.288 6.3873  244.830 6.2623  -4.541168      8.945021  
1 1 1 -15 6   16 o 115.667 3.0698  7252.74    384.581  7084.28    554.405  7408.99    533.933  114.249 4.4803  116.853 4.2187  -2.603477      6.153878  
1 1 1 -15 6   17 o 251.090 4.6208  34231.54   1256.65  35406.29   1777.39  33057.39   1776.93  255.051 6.4341  246.402 6.6582  8.649200       9.258982  
1 1 1 -15 6   18 o 279.693 5.0526  42522.32   1530.62  41218.73   2167.12  43819.91   2162.13  274.825 7.2804  283.433 7.0431  -8.608704      10.12962  
1 1 1 -15 6   19 o 160.438 3.4766  13970.36   604.134  13105.70   855.483  14830.56   853.270  155.199 5.0892  165.144 4.7704  -9.944397      6.975447  
1 1 1 -15 6   20 o 182.244 3.7223  18045.74   734.749  18017.76   1036.72  18073.98   1041.48  181.805 5.2648  182.085 5.2809  -0.2797546     7.456977  
1 1 1 -15 6   21 o 92.493  2.8496  4644.60    285.475  4990.84    436.344  4385.49    377.470  95.737  4.2080  89.780  3.8818  5.957130       5.725045  
1 1 1 -15 6   22 o 44.386  2.2789  1071.95    109.187  1526.48    286.773  994.889    118.081  52.576  5.1001  42.728  2.5633  9.847820       5.708002  
1 1 1 -15 6   23 o 27.907  6.7304  448.083    201.074  334.409    281.588  566.349    287.220  25.238  8.5994  31.252  8.3329  -6.014353      11.97439  
1 1 1 -15 6   24 o 126.209 3.2893  8681.75    449.641  8677.93    641.252  8685.44    630.657  125.761 4.7077  125.843 4.6269  -0.8222961E-01 6.600852  
1 1 1 -15 6   25 o 36.744  6.0778  768.755    233.427  807.399    356.583  739.778    308.784  36.857  9.0084  35.452  8.2041  1.405075       12.18438  
1 1 1 -15 6   26 o 71.223  3.6882  2786.39    283.537  3020.48    411.002  2573.82    391.661  73.668  5.1841  67.909  5.3687  5.759346       7.463119  
1 1 1 -15 6   27 o 45.360  2.1807  1119.79    107.135  1126.00    113.286  1067.23    329.614  45.414  2.3108  42.674  7.3995  2.739475       7.751931  
1 1 1 -15 6   28 o 52.423  2.1432  1496.81    121.691  1567.68    130.317  1014.06    340.129  53.635  2.2433  41.127  7.9230  12.50756       8.234481  
1 1 1 -15 6   29 o 15.917  2.6324  142.151    43.795   135.175    44.174   543.038    334.875  15.493  2.7324  29.616  9.3414  -14.12350      9.732831  
1 1 1 -15 6   30 o 32.528  1.7845  578.316    62.631   582.061    63.698   469.289    343.654  32.630  1.8095  27.352  9.4927  5.277647       9.663588  
1 1 1 -15 6   31 o 29.965  1.5972  491.022    51.649   493.670    51.895   214.026    530.785  30.045  1.6005  24.110  10.581  5.934971       10.70129  
1 1 1 -15 6   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 7   1  o 190.688 4.2927  19708.87   886.590  19391.27   1086.26  20342.62   1534.47  189.102 5.3035  193.570 7.3190  -4.467728      9.038510  
1 1 1 -15 7   2  o 456.232 10.923  113354.80  5397.37  109667.30  7633.97  117040.50  7632.09  447.404 15.754  462.370 15.240  -14.96646      21.91878  
1 1 1 -15 7   3  f 462.703 15.708  117309.30  7871.93  117309.30  7871.93  0.0000     0.0000   462.703 15.708  ?       ?       0.000000       15.70758  
1 1 1 -15 7   4  o 222.841 5.9120  26938.57   1426.91  27322.78   2016.86  26553.52   2019.06  224.238 8.3042  221.047 8.4333  3.190903       11.83551  
1 1 1 -15 7   5  o 165.749 4.8675  14895.85   873.830  14865.04   1231.10  14927.12   1240.51  165.478 6.8688  165.821 6.9070  -0.3429565     9.741049  
1 1 1 -15 7   6  o 246.738 4.4850  33004.95   1198.59  30949.58   1687.96  35095.27   1702.25  238.789 6.5265  254.309 6.1801  -15.52022      8.988195  
1 1 1 -15 7   7  o 36.457  4.5274  731.671    174.922  709.917    213.933  775.550    303.834  35.730  5.7212  37.087  7.8106  -1.357281      9.681840  
1 1 1 -15 7   8  o 280.643 5.7208  42735.07   1738.94  43943.31   3012.60  42131.35   2129.51  284.056 9.7919  278.514 7.0593  5.542358       12.07129  
1 1 1 -15 7   9  o 250.937 4.5506  34145.76   1236.82  33053.21   1428.26  37421.35   2473.05  246.829 5.3425  262.244 8.7068  -15.41447      10.21519  
1 1 1 -15 7   10 o 90.615  2.7964  4449.09    274.457  4708.75    320.037  3727.25    533.596  93.215  3.1699  82.643  6.0022  10.57130       6.787799  
1 1 1 -15 7   11 o 220.804 4.1451  26435.80   991.325  26184.11   1145.25  27187.87   1979.71  219.703 4.8128  223.522 8.1773  -3.818985      9.488485  
1 1 1 -15 7   12 o 319.140 5.6002  55290.90   1935.78  54406.00   2235.30  57945.14   3871.30  316.440 6.5219  325.594 10.978  -9.153992      12.76891  
1 1 1 -15 7   13 o 134.466 3.2118  9800.21    467.774  9832.16    542.271  9707.29    924.730  134.666 3.7178  133.659 6.3877  1.006485       7.390888  
1 1 1 -15 7   14 o 78.920  2.9318  3375.52    250.606  3143.02    356.978  3601.45    351.897  75.994  4.3552  81.492  3.9869  -5.497444      5.904450  
1 1 1 -15 7   15 o 208.120 3.9899  23492.96   899.393  23776.65   1276.35  23213.16   1267.56  209.213 5.6326  206.716 5.6614  2.497238       7.986118  
1 1 1 -15 7   16 o 157.289 3.3925  13414.80   577.940  12942.69   819.927  13880.98   814.758  154.390 4.9033  159.905 4.7043  -5.515152      6.795037  
1 1 1 -15 7   17 o 140.109 3.2594  10644.78   494.615  10177.40   702.998  11102.95   696.037  136.899 4.7411  143.009 4.4937  -6.109482      6.532331  
1 1 1 -15 7   18 o 33.526  5.5212  627.353    193.507  435.886    269.381  831.489    278.149  28.025  8.2921  38.472  6.9301  -10.44639      10.80674  
1 1 1 -15 7   19 o 127.748 3.2488  8855.07    449.522  8364.95    638.361  9337.16    633.112  124.026 4.7521  131.068 4.4598  -7.041618      6.517052  
1 1 1 -15 7   20 o 116.420 3.1168  7357.16    393.018  7335.10    558.651  7378.77    553.014  116.107 4.4424  116.459 4.3842  -0.3521805     6.241476  
1 1 1 -15 7   21 o 175.732 3.6239  16792.83   689.758  16302.29   977.179  17279.94   973.759  172.766 5.2221  177.919 5.0531  -5.152908      7.266664  
1 1 1 -15 7   22 o 35.937  1.7875  700.317    69.576   702.969    71.485   652.646    303.099  35.957  1.8417  33.593  8.3629  2.363544       8.563311  
1 1 1 -15 7   23 o 34.314  5.7310  664.731    205.486  662.752    289.614  666.737    291.597  33.789  8.0316  33.887  8.0619  -0.9759903E-01 11.37983  
1 1 1 -15 7   24 o 53.895  4.1899  1598.79    242.659  1511.27    356.822  1674.08    330.978  51.802  6.5030  54.803  5.6574  -3.001278      8.619484  
1 1 1 -15 7   25 o 20.912  7.5294  212.648    217.762  198.129    335.880  223.177    286.017  23.157  9.1176  22.586  8.5386  0.5712223      12.49154  
1 1 1 -15 7   26 o 69.264  2.7568  2615.16    206.819  2612.89    245.967  2620.63    382.094  69.140  3.2846  68.592  5.1813  0.5478973      6.134716  
1 1 1 -15 7   27 o 38.584  1.9515  811.492    81.290   815.284    83.743   749.602    338.351  38.667  2.0065  35.124  8.8869  3.543232       9.110629  
1 1 1 -15 7   28 o 44.512  5.1852  1122.50    245.301  719.521    359.640  1473.07    335.440  34.004  9.4336  50.601  6.2536  -16.59711      11.31815  
1 1 1 -15 7   29 o 46.480  2.3565  1182.47    118.246  1174.14    124.995  1253.38    364.797  46.284  2.5027  45.726  7.6350  0.5585442      8.034729  
1 1 1 -15 7   30 o 74.821  2.9872  3085.73    242.079  2867.56    293.080  3554.18    429.453  71.655  3.7898  78.889  5.0526  -7.233818      6.315948  
1 1 1 -15 7   31 o 38.889  2.0680  830.931    86.794   825.996    87.900   1023.29    548.771  38.764  2.1014  35.646  12.006  3.118080       12.18806  
1 1 1 -15 7   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 8   1  o 341.787 6.7849  63401.59   2511.71  62164.25   3076.62  65874.30   4349.25  338.239 8.3981  347.668 11.550  -9.429321      14.28036  
1 1 1 -15 8   2  f 441.848 8.6071  106099.70  4119.10  106581.40  5045.34  105136.90  7133.08  442.464 10.528  438.264 15.027  4.199951       18.34792  
1 1 1 -15 8   3  o 393.872 7.7595  84258.05   3310.23  84366.21   5733.02  84203.96   4054.34  392.980 13.469  393.459 9.5137  -0.4788818     16.49034  
1 1 1 -15 8   4  o 135.513 4.3739  9954.33    641.975  9684.10    906.338  10226.41   909.450  133.594 6.2637  137.290 6.1160  -3.695938      8.754433  
1 1 1 -15 8   5  o 141.823 4.5164  10904.09   693.755  11362.44   975.116  10434.28   987.232  144.705 6.2216  138.653 6.5739  6.052170       9.051190  
1 1 1 -15 8   6  o 200.937 5.5032  21901.08   1197.69  22809.97   1695.51  20995.86   1692.07  204.910 7.6395  196.567 7.9476  8.342468       11.02394  
1 1 1 -15 8   7  o 391.640 7.7310  83343.23   3279.40  81185.88   4016.54  87657.14   5679.74  386.188 9.6025  400.398 13.097  -14.21021      16.23990  
1 1 1 -15 8   8  o 225.503 4.2430  27568.24   1036.32  28052.19   1463.67  27081.77   1467.49  227.358 5.9438  223.381 6.0654  3.976776       8.492202  
1 1 1 -15 8   9  o 240.153 4.3840  31271.38   1140.32  30793.63   1316.93  32702.83   2279.57  238.260 5.1032  245.165 8.5847  -6.904861      9.986959  
1 1 1 -15 8   10 o 95.582  2.8530  4950.34    295.362  4800.94    345.000  5360.38    571.550  94.118  3.3843  99.250  5.3364  -5.132149      6.319111  
1 1 1 -15 8   11 o 159.777 3.3594  13836.39   581.354  13952.90   672.341  13491.19   1157.30  160.426 3.8694  157.572 6.7810  2.854218       7.807346  
1 1 1 -15 8   12 o 57.385  3.3470  1791.00    207.125  1920.58    246.224  1477.38    383.057  59.394  3.8482  51.662  7.0281  7.731239       8.012722  
1 1 1 -15 8   13 o 397.100 6.7664  85720.73   2910.22  84147.48   3360.53  90439.38   5819.91  393.172 7.8914  405.717 13.244  -12.54572      15.41690  
1 1 1 -15 8   14 o 122.997 3.1016  8199.74    413.189  7802.79    478.874  9356.29    817.407  119.962 3.6856  131.249 5.7501  -11.28711      6.829840  
1 1 1 -15 8   15 f 90.606  2.9914  4449.75    293.565  4790.54    427.434  4145.47    403.892  93.972  4.1995  87.414  4.2659  6.557968       5.986153  
1 1 1 -15 8   16 o 134.423 3.1881  9796.65    464.167  9786.06    655.823  9807.27    657.042  134.275 4.5094  134.420 4.5129  -0.1452332     6.379761  
1 1 1 -15 8   17 f 208.760 4.0157  23648.29   907.976  22745.54   1285.93  24545.84   1282.22  204.515 5.8053  212.490 5.5713  -7.974335      8.046131  
1 1 1 -15 8   18 o 128.749 3.1783  8990.32    443.207  8969.76    631.481  9010.29    622.202  128.501 4.5371  128.798 4.4602  -0.2965393     6.362296  
1 1 1 -15 8   19 o 215.793 4.3787  25307.98   1023.41  25796.18   1555.16  24935.07   1359.20  217.373 6.6054  213.895 5.8669  3.477356       8.834732  
1 1 1 -15 8   20 o 24.732  6.5177  346.681    177.048  599.154    254.353  109.375    246.594  32.414  7.4068  19.519  7.7718  12.89579       10.73594  
1 1 1 -15 8   21 o 111.259 3.0185  6722.98    363.743  6292.11    509.803  7169.77    519.145  107.464 4.3800  114.745 4.1772  -7.281609      6.052506  
1 1 1 -15 8   22 o 162.624 3.5169  14395.22   619.471  14396.43   875.397  14394.00   876.733  162.218 4.9824  162.202 4.9905  0.1632690E-01  7.051872  
1 1 1 -15 8   23 o 75.849  3.3526  3133.25    275.423  3096.13    391.604  3169.58    387.442  75.017  4.8456  75.932  4.7345  -0.9149323     6.774610  
1 1 1 -15 8   24 o 64.585  3.7267  2285.18    259.583  2592.05    381.866  2021.56    353.933  68.444  5.1898  60.321  5.4770  8.122993       7.545259  
1 1 1 -15 8   25 o 45.350  2.3228  1121.03    113.709  1068.28    121.764  1480.60    317.909  44.237  2.5522  51.358  5.8177  -7.121178      6.352859  
1 1 1 -15 8   26 o 124.700 3.3214  8501.76    448.595  8594.10    642.862  8414.11    626.281  124.755 4.7576  123.479 4.6828  1.276215       6.675615  
1 1 1 -15 8   27 o 21.313  7.6857  228.826    226.995  174.589    324.689  280.680    317.472  22.185  8.8894  24.084  9.0187  -1.899309      12.66329  
1 1 1 -15 8   28 o 21.431  7.7328  236.470    229.835  56.678     358.290  362.185    299.600  20.887  8.9279  25.415  8.8609  -4.527493      12.57869  
1 1 1 -15 8   29 o 22.085  7.7570  267.231    229.801  585.338    343.438  9.3464     309.224  30.586  9.4304  18.797  8.1657  11.78884       12.47445  
1 1 1 -15 8   30 o 49.302  2.1229  1328.32    113.362  1371.00    119.987  973.427    345.960  50.068  2.2126  39.145  8.4105  10.92388       8.696699  
1 1 1 -15 8   31 o ?       ?       -380.6694  45.481   -378.8595  45.603   -716.4400  621.151  ?       ?       18.736  9.1661  0.000000       9.166068  
1 1 1 -15 8   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 9   1  o 26.849  4.3512  400.758    122.203  272.010    155.448  609.054    197.723  22.102  6.2272  33.036  5.7337  -10.93467      8.464828  
1 1 1 -15 9   2  o 220.542 4.3466  26364.30   1038.28  26969.26   1381.53  25579.15   1573.88  222.983 5.7203  217.097 6.6934  5.885864       8.804758  
1 1 1 -15 9   3  o 282.918 5.0377  43401.03   1543.70  43693.98   2181.96  43107.46   2184.28  283.698 7.1010  281.782 7.1569  1.916016       10.08193  
1 1 1 -15 9   4  o 350.858 7.8301  66871.05   2975.54  65700.52   4655.11  67679.70   3869.16  346.974 12.387  352.608 10.131  -5.634064      16.00228  
1 1 1 -15 9   5  o 583.358 13.790  186115.09  8712.76  184209.00  12320.55 188021.91  12322.86 577.429 19.700  583.492 19.499  -6.062683      27.71791  
1 1 1 -15 9   6  o 485.461 11.539  128548.70  6067.29  125121.50  8578.83  131978.50  8582.07  477.124 16.601  490.211 16.164  -13.08679      23.16995  
1 1 1 -15 9   7  o 428.847 10.304  100195.20  4786.22  100799.30  6767.95  99590.80   6769.51  428.860 14.570  426.249 14.663  2.610962       20.67127  
1 1 1 -15 9   8  o 254.629 5.3199  35171.19   1467.17  35550.37   1798.48  34416.80   2536.79  255.892 6.4890  251.446 9.3147  4.446487       11.35214  
1 1 1 -15 9   9  o 207.293 3.9786  23294.25   893.273  22941.73   1032.54  24343.06   1781.00  205.681 4.6349  211.606 7.7708  -5.925262      9.048079  
1 1 1 -15 9   10 f 396.576 6.7710  85439.41   2908.38  84402.42   3358.60  88548.23   5815.24  393.944 7.8714  401.905 13.359  -7.960693      15.50556  
1 1 1 -15 9   11 o 53.464  3.0731  1554.19    177.205  1640.35    208.137  1327.20    337.829  54.899  3.5189  49.000  6.5278  5.898373       7.415873  
1 1 1 -15 9   12 o 242.405 4.4538  31870.97   1169.34  32493.81   1351.25  30013.62   2333.43  244.704 5.0983  234.647 9.1814  10.05624       10.50193  
1 1 1 -15 9   13 o 333.379 5.7918  60356.98   2091.32  61222.41   2415.59  57766.98   4178.85  335.612 6.6453  324.699 11.882  10.91339       13.61442  
1 1 1 -15 9   14 o 38.446  4.3938  812.275    179.679  740.738    214.850  978.716    327.718  36.513  5.6124  41.778  7.5189  -5.265358      9.382607  
1 1 1 -15 9   15 o 220.015 4.1438  26258.89   987.461  25204.66   1395.66  27315.60   1397.30  215.357 5.9834  224.224 5.7536  -8.866577      8.300920  
1 1 1 -15 9   16 o 120.132 3.0823  7823.73    401.051  7223.36    570.947  8408.49    563.469  115.357 4.5696  124.485 4.1791  -9.127670      6.192436  
1 1 1 -15 9   17 o 122.401 3.1356  8123.55    415.693  7372.71    592.163  8853.05    583.684  116.519 4.6922  127.715 4.2195  -11.19652      6.310390  
1 1 1 -15 9   18 o 138.077 3.2697  10341.45   488.995  9365.05    695.350  11296.74   687.797  131.268 4.8908  144.220 4.4032  -12.95264      6.580828  
1 1 1 -15 9   19 o 60.466  3.5236  1991.33    229.766  1984.66    343.817  1996.72    308.862  60.144  5.3333  60.407  4.7592  -0.2633324     7.148012  
1 1 1 -15 9   20 o 85.110  2.7912  3930.36    257.304  3893.61    336.303  3982.24    399.593  84.652  3.6679  85.446  4.3319  -0.7941895     5.676183  
1 1 1 -15 9   21 o 70.428  3.2366  2695.15    246.890  2486.23    353.176  2894.83    345.269  67.328  4.8762  72.756  4.4022  -5.427971      6.569361  
1 1 1 -15 9   22 o 149.475 3.3726  12157.07   546.020  11783.58   771.136  12532.61   773.245  146.792 4.8502  151.426 4.7146  -4.634064      6.764013  
1 1 1 -15 9   23 o 31.232  2.1024  531.814    70.706   525.255    72.585   653.614    312.787  31.031  2.1734  33.492  8.5833  -2.461258      8.854149  
1 1 1 -15 9   24 o 73.419  3.5059  2940.86    278.786  2954.53    408.457  2928.94    381.454  73.093  5.1932  72.867  4.8611  0.2256165      7.113389  
1 1 1 -15 9   25 o 48.249  4.5878  1290.99    236.866  1507.43    352.093  1112.05    320.141  51.626  6.4366  44.074  6.9355  7.551434       9.462099  
1 1 1 -15 9   26 o 50.923  4.5039  1439.69    245.852  1002.86    363.925  1806.41    333.444  41.119  8.4539  56.769  5.4917  -15.65017      10.08105  
1 1 1 -15 9   27 o 73.455  3.7565  2973.07    297.866  2981.65    424.754  2964.76    417.823  72.893  5.4187  72.721  5.3421  0.1722717      7.609220  
1 1 1 -15 9   28 o 20.596  7.6452  205.091    227.158  160.382    355.684  235.888    295.203  22.407  9.1836  22.586  8.6419  -0.1782665     12.61037  
1 1 1 -15 9   29 f 32.628  7.1497  640.839    245.687  63.486     382.251  1047.24    320.703  21.325  9.1711  41.845  7.3438  -20.51988      11.74910  
1 1 1 -15 9   30 o 16.601  7.1265  30.609     230.074  -257.0746  347.328  255.540    307.119  16.403  7.7006  22.527  8.7622  -6.123346      11.66511  
1 1 1 -15 9   31 o 46.325  2.4750  1185.17    123.731  1173.77    125.922  1504.09    666.196  46.080  2.5327  41.834  13.173  4.245308       13.41461  
1 1 1 -15 9   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 10  1  o 432.463 7.3485  101550.40  3442.05  101546.40  4867.88  101554.40  4867.70  431.884 10.406  431.901 10.406  -0.1727295E-01 14.71639  
1 1 1 -15 10  2  o 483.107 8.0752  126796.80  4225.37  121309.20  5974.92  132286.91  5976.23  471.716 11.694  492.733 11.198  -21.01733      16.19132  
1 1 1 -15 10  3  o 190.027 3.7290  19569.01   767.507  19779.71   1083.55  19356.85   1087.30  190.983 5.2382  188.927 5.3136  2.056213       7.461422  
1 1 1 -15 10  4  o 168.978 3.4775  15472.81   636.452  15564.50   897.980  15380.25   902.193  169.427 4.8934  168.419 4.9458  1.008072       6.957491  
1 1 1 -15 10  5  o 140.838 3.6660  10749.50   559.227  10387.33   956.015  10937.89   689.497  138.346 6.3801  142.042 4.4817  -3.695847      7.796880  
1 1 1 -15 10  6  o 113.246 4.1928  6951.88    514.274  7385.94    730.870  6526.22    723.768  116.677 5.7834  109.494 6.1275  7.183151       8.425803  
1 1 1 -15 10  7  o 294.460 7.3781  47102.12   2353.10  46997.79   3326.57  47206.60   3329.01  293.675 10.458  294.329 10.443  -0.6543579     14.77921  
1 1 1 -15 10  8  f 215.361 5.7700  25167.58   1345.90  23691.03   1902.72  26646.22   1904.07  208.713 8.4170  221.399 7.9403  -12.68655      11.57123  
1 1 1 -15 10  9  o 118.463 2.9854  7604.22    383.050  7403.26    445.456  8174.51    750.412  116.874 3.5190  122.733 5.6450  -5.859642      6.652036  
1 1 1 -15 10  10 o 111.382 2.9014  6722.39    350.016  7017.14    407.573  5894.27    683.166  113.788 3.3070  104.016 6.0905  9.771576       6.930415  
1 1 1 -15 10  11 o 93.862  2.9614  4774.25    301.060  4613.44    355.530  5181.80    565.982  92.255  3.5581  97.567  5.3766  -5.311752      6.447352  
1 1 1 -15 10  12 o 89.514  2.8698  4342.16    278.234  4099.31    324.858  5010.75    539.019  86.963  3.4490  95.948  5.2063  -8.985176      6.245064  
1 1 1 -15 10  13 o 306.737 5.4031  51077.62   1795.06  50733.00   2073.33  52109.23   3587.15  305.572 6.2645  308.714 10.728  -3.142334      12.42320  
1 1 1 -15 10  14 o 169.044 3.5932  15493.25   657.893  14413.10   762.175  18650.24   1303.02  163.004 4.3170  185.228 6.4949  -22.22394      7.798771  
1 1 1 -15 10  15 o 81.052  2.9940  3560.81    262.838  2957.86    376.171  4135.98    367.401  73.671  4.7395  87.326  3.8844  -13.65560      6.127915  
1 1 1 -15 10  16 o 117.472 3.0766  7481.20    391.451  7429.55    564.998  7528.88    542.856  116.998 4.4586  117.789 4.2551  -0.7911835     6.163178  
1 1 1 -15 10  17 o 276.578 4.9247  41553.45   1475.27  42842.44   2090.73  40275.22   2081.98  280.425 6.8835  271.849 7.0710  8.576447       9.868196  
1 1 1 -15 10  18 o 155.104 3.4207  13051.33   574.648  11956.79   815.975  14128.34   809.414  148.299 5.0801  161.257 4.6343  -12.95801      6.876299  
1 1 1 -15 10  19 o 154.976 3.4792  13036.75   584.007  12519.98   864.834  13469.94   791.809  151.648 5.2653  157.388 4.6449  -5.739777      7.021333  
1 1 1 -15 10  20 o 159.000 3.4362  13731.38   591.757  13856.49   840.729  13608.54   833.064  159.487 4.8670  158.054 4.8663  1.433304       6.882506  
1 1 1 -15 10  21 o 106.230 3.0769  6130.14    354.021  5900.93    504.156  6353.10    497.239  104.047 4.4737  107.994 4.2511  -3.946831      6.171334  
1 1 1 -15 10  22 o 115.140 3.1239  7208.90    389.571  6699.90    549.437  7723.50    552.450  110.740 4.5808  118.964 4.2875  -8.223282      6.274295  
1 1 1 -15 10  23 f 61.532  3.8339  2073.67    254.245  2170.11    355.104  1972.23    364.183  62.644  5.2830  59.593  5.7123  3.051159       7.780773  
1 1 1 -15 10  24 o 69.292  3.6202  2627.98    270.751  2489.03    398.037  2747.64    369.369  66.954  5.5385  70.561  4.8628  -3.607178      7.370295  
1 1 1 -15 10  25 o 77.392  3.4768  3272.27    291.438  3621.80    428.083  2970.31    397.884  80.929  4.9069  73.216  5.0482  7.712761       7.040059  
1 1 1 -15 10  26 o 19.334  7.3558  157.763    213.114  433.042    322.689  -55.1891   283.817  27.670  9.2052  17.468  7.6993  10.20238       12.00069  
1 1 1 -15 10  27 o 20.846  7.6389  211.620    225.540  -161.0237  327.618  547.328    310.958  17.369  7.9102  30.170  8.9042  -12.80079      11.91029  
1 1 1 -15 10  28 o 19.289  1.9464  204.501    40.109   491.415    339.178  200.432    40.393   28.665  9.4328  19.089  1.9826  9.575504       9.638886  
1 1 1 -15 10  29 o 47.122  5.1807  1264.16    260.047  1199.15    403.929  1310.17    339.841  43.993  8.7848  47.161  6.8538  -3.167931      11.14211  
1 1 1 -15 10  30 o 39.538  6.1728  929.330    255.709  766.589    401.681  1040.22    331.574  33.564  10.170  40.880  7.7727  -7.315323      12.80031  
1 1 1 -15 10  31 o 65.241  2.9762  2362.23    210.308  2444.21    224.292  1765.57    605.086  66.282  3.1243  47.902  11.751  18.37973       12.15949  
1 1 1 -15 10  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 11  1  o 447.302 8.0424  108701.00  3896.36  109053.40  5102.48  108208.20  6034.67  447.517 10.527  445.277 12.513  2.239655       16.35191  
1 1 1 -15 11  2  o 374.018 6.4394  75913.23   2608.59  75996.97   3688.69  75829.45   3689.50  373.840 9.1100  373.426 9.1221  0.4143372      12.89200  
1 1 1 -15 11  3  o 321.275 5.5835  55985.52   1942.90  54892.96   2745.67  57081.29   2749.70  317.866 7.9750  324.159 7.8317  -6.292419      11.17753  
1 1 1 -15 11  4  o 152.798 3.2603  12650.60   539.567  12300.00   757.392  13011.90   768.863  150.623 4.6426  154.923 4.5821  -4.299835      6.522958  
1 1 1 -15 11  5  o 80.267  2.5511  3490.33    221.785  3252.65    336.393  3673.09    294.975  77.361  4.0286  82.332  3.3078  -4.970932      5.212652  
1 1 1 -15 11  6  o 218.205 4.7782  25817.61   1129.28  25552.98   1947.00  25951.77   1386.28  216.810 8.2912  218.703 5.8523  -1.892334      10.14852  
1 1 1 -15 11  7  f 329.959 8.1382  59185.71   2908.42  58965.85   4113.64  59405.47   4112.62  328.711 11.554  329.944 11.508  -1.233093      16.30765  
1 1 1 -15 11  8  o 433.747 10.417  102557.50  4893.61  103293.10  6921.08  101822.00  6920.15  433.883 14.728  430.742 14.833  3.140900       20.90260  
1 1 1 -15 11  9  o 113.406 4.1166  6972.54    505.642  7344.41    720.824  6612.28    709.483  116.330 5.7209  110.210 5.9658  6.120918       8.265602  
1 1 1 -15 11  10 o 58.296  3.2694  1847.56    205.595  1809.65    248.945  1928.89    364.614  57.635  4.0130  59.337  5.7453  -1.701653      7.008029  
1 1 1 -15 11  11 o 473.750 7.9916  122122.70  4100.67  121267.40  4735.36  124687.50  8199.64  471.703 9.2686  475.372 15.925  -3.668884      18.42623  
1 1 1 -15 11  12 o 297.922 5.2314  48170.54   1688.07  49496.25   1951.25  44226.33   3365.64  301.896 5.9674  284.438 10.925  17.45798       12.44824  
1 1 1 -15 11  13 o 284.783 5.0480  44014.79   1557.05  43460.34   1798.18  45676.23   3112.75  282.877 5.8690  289.220 9.9368  -6.342926      11.54057  
1 1 1 -15 11  14 o 250.173 4.5770  33957.74   1240.19  33724.59   1433.30  34652.37   2473.94  249.232 5.3096  252.028 9.0629  -2.796356      10.50376  
1 1 1 -15 11  15 o 78.651  3.5621  3354.28    303.445  3665.61    382.596  2826.34    498.214  82.083  4.3187  71.804  6.4758  10.27881       7.783790  
1 1 1 -15 11  16 o 111.551 3.0724  6746.05    371.207  6560.78    537.040  6915.55    513.670  109.942 4.5100  112.892 4.2010  -2.950386      6.163451  
1 1 1 -15 11  17 o 96.444  3.1206  5043.48    325.974  5062.48    469.070  5025.73    453.325  96.561  4.4850  96.217  4.3500  0.3437729      6.248045  
1 1 1 -15 11  18 o 171.127 3.5878  15890.47   664.993  15402.39   949.248  16360.85   931.877  168.294 5.2076  173.485 4.9594  -5.190872      7.191304  
1 1 1 -15 11  19 o 221.323 4.2241  26619.02   1012.57  25271.66   1434.32  27957.69   1429.68  215.234 6.1527  226.468 5.8286  -11.23395      8.475130  
1 1 1 -15 11  20 o 62.071  3.3824  2098.73    226.540  2151.15    330.724  2052.41    310.942  62.645  4.9137  61.209  4.7268  1.435490       6.818179  
1 1 1 -15 11  21 o 31.497  5.5462  558.296    182.297  435.657    263.353  671.123    252.598  27.812  8.1903  34.319  7.0318  -6.507315      10.79480  
1 1 1 -15 11  22 o 46.836  4.1308  1205.67    207.402  1281.28    289.729  1126.20    297.027  47.991  5.6844  44.812  6.2932  3.179264       8.480380  
1 1 1 -15 11  23 o 80.237  3.3797  3507.04    293.715  3365.97    412.019  3652.81    418.816  78.211  4.8884  81.519  4.7642  -3.307884      6.825977  
1 1 1 -15 11  24 f 55.660  4.2183  1705.54    252.415  1695.40    388.326  1712.96    332.157  54.834  6.6763  55.440  5.6088  -0.6058922     8.719605  
1 1 1 -15 11  25 o 57.383  4.0590  1813.50    250.649  2210.33    372.695  1485.80    338.682  62.960  5.5211  51.313  6.2211  11.64735       8.317728  
1 1 1 -15 11  26 o 61.173  4.0848  2065.25    269.089  1489.62    411.382  2495.71    355.750  50.631  7.7481  66.996  4.9374  -16.36468      9.187525  
1 1 1 -15 11  27 o 19.744  7.5425  167.332    224.645  260.956    326.731  83.392     309.370  23.833  9.0982  20.236  8.4538  3.597155       12.41952  
1 1 1 -15 11  28 o 47.609  2.2792  1235.63    117.527  1028.77    369.994  1258.84    123.946  41.072  8.5933  48.039  2.3821  -6.967278      8.917323  
1 1 1 -15 11  29 o 48.578  4.9119  1336.76    254.889  1376.90    384.655  1305.34    340.335  47.882  7.6764  47.042  6.8832  0.8392525      10.31049  
1 1 1 -15 11  30 o 18.820  1.6116  194.244    32.535   197.375    355.708  194.218    32.672   22.224  9.1548  18.818  1.6188  3.406010       9.296854  
1 1 1 -15 11  31 o 9.4653  2.7789  50.474     30.358   49.318     30.416   354.395    493.196  9.3738  2.7892  25.303  10.629  -15.92888      10.98891  
1 1 1 -15 11  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 12  1  o 375.036 6.4574  76330.58   2623.00  76239.20   3709.55  76421.95   3709.43  374.417 9.1474  374.867 9.1361  -0.4504395     12.92834  
1 1 1 -15 12  2  o 357.480 6.6413  69360.10   2571.42  68748.96   3375.93  70204.66   3968.62  355.609 8.7650  359.109 10.203  -3.499115      13.45114  
1 1 1 -15 12  3  o 180.084 3.6088  17574.28   703.891  17917.86   991.582  17225.29   999.370  181.778 5.0364  178.224 5.1771  3.554276       7.222712  
1 1 1 -15 12  4  o 349.940 6.0413  66443.62   2289.80  66698.96   3236.73  66187.78   3239.80  350.281 8.5314  348.930 8.5726  1.351227       12.09435  
1 1 1 -15 12  5  o 299.166 5.6391  48551.96   1827.23  48580.32   2404.84  48513.22   2810.50  299.067 7.4242  298.698 8.6872  0.3692932      11.42745  
1 1 1 -15 12  6  o 195.943 3.4146  20805.67   724.673  20609.91   931.393  21105.97   1153.57  194.977 4.4104  197.256 5.3994  -2.279327      6.971741  
1 1 1 -15 12  7  o 87.005  3.2510  4101.98    306.354  4393.31    373.523  3503.25    535.479  90.031  3.8305  80.099  6.2211  9.931419       7.305782  
1 1 1 -15 12  8  o 78.355  4.0246  3336.93    340.400  3225.95    478.034  3451.08    484.836  76.885  5.7828  79.550  5.6641  -2.664345      8.094609  
1 1 1 -15 12  9  o 107.898 4.0990  6311.79    479.032  5786.10    682.073  6823.47    672.926  103.055 6.1386  112.135 5.5406  -9.080498      8.269217  
1 1 1 -15 12  10 o 61.299  4.1965  2046.94    276.942  2198.49    406.443  1915.60    378.371  63.355  5.9944  59.099  5.9940  4.255627       8.477092  
1 1 1 -15 12  11 o 166.291 4.0346  14993.53   726.677  14707.21   893.528  15552.82   1248.82  164.641 5.0107  169.174 6.8155  -4.532471      8.459206  
1 1 1 -15 12  12 o 275.859 4.9474  41291.07   1478.19  41430.87   1708.14  40874.17   2949.78  276.237 5.7092  273.658 9.9520  2.579254       11.47334  
1 1 1 -15 12  13 o 183.147 3.7671  18187.04   747.275  17745.83   866.889  19463.11   1474.28  180.871 4.4251  189.163 7.1957  -8.292480      8.447457  
1 1 1 -15 12  14 o 71.627  3.1662  2780.93    245.632  2799.10    289.715  2734.49    463.234  71.750  3.7410  70.678  6.1114  1.072624       7.165473  
1 1 1 -15 12  15 f 330.858 5.7667  59480.99   2066.52  59331.40   2387.61  59927.67   4125.79  330.254 6.6749  330.448 11.527  -0.1931763     13.32054  
1 1 1 -15 12  16 o 177.741 3.6379  17134.22   700.349  16169.23   992.796  18090.12   988.107  172.517 5.3132  182.511 4.9986  -9.993286      7.294918  
1 1 1 -15 12  17 o 111.518 3.0533  6743.11    368.798  6669.00    527.266  6814.10    516.033  110.832 4.3923  112.040 4.2524  -1.208115      6.113560  
1 1 1 -15 12  18 o 192.058 3.8019  20021.07   790.858  20355.79   1126.85  19696.15   1110.22  193.439 5.3784  190.277 5.3870  3.161438       7.612324  
1 1 1 -15 12  19 o 50.288  3.7902  1381.12    204.922  1124.34    299.249  1607.86    281.200  44.959  6.3199  54.150  4.8458  -9.190960      7.963804  
1 1 1 -15 12  20 o 201.057 4.1816  21990.42   910.617  21726.88   1220.60  22321.22   1367.50  199.479 5.6494  202.004 6.2503  -2.525238      8.425064  
1 1 1 -15 12  21 o 109.221 3.1041  6481.28    367.213  5614.67    519.358  7347.62    519.277  101.441 4.7270  116.147 4.1278  -14.70667      6.275606  
1 1 1 -15 12  22 o 29.880  5.9569  507.622    186.020  587.998    258.350  421.089    268.061  31.937  7.5819  27.365  8.3118  4.571901       11.25045  
1 1 1 -15 12  23 o 93.641  3.0795  4772.04    312.329  4559.88    421.388  5030.68    465.264  91.332  4.2598  95.883  4.4801  -4.551651      6.182014  
1 1 1 -15 12  24 o 88.182  2.9808  4234.42    284.694  4332.80    378.052  4105.54    432.693  89.021  3.9209  86.371  4.6423  2.649902       6.076575  
1 1 1 -15 12  25 o 116.979 3.2648  7469.18    413.654  6960.97    586.307  7972.87    583.691  112.413 4.8155  120.446 4.4743  -8.032616      6.573263  
1 1 1 -15 12  26 o 70.090  3.7830  2701.98    286.119  2615.04    436.414  2767.52    378.916  68.176  5.9703  70.541  4.9917  -2.364395      7.782098  
1 1 1 -15 12  27 o 60.192  4.1852  2008.12    271.152  1991.81    390.478  2023.31    376.821  59.158  6.1856  59.757  5.8990  -0.5988655     8.547501  
1 1 1 -15 12  28 o 50.531  4.6653  1432.30    252.451  1371.30    379.712  1480.62    337.962  48.154  7.5268  50.691  6.2907  -2.537792      9.809479  
1 1 1 -15 12  29 o 72.740  3.7845  2936.00    297.132  3218.96    442.575  2703.80    400.921  75.211  5.4704  68.936  5.4131  6.274750       7.695944  
1 1 1 -15 12  30 o 44.981  5.5312  1180.65    263.797  1281.12    387.002  1093.46    360.534  45.055  8.2339  41.492  8.3123  3.563488       11.70003  
1 1 1 -15 12  31 o 28.627  2.0737  451.467    63.864   443.646    64.408   908.776    492.519  28.368  2.1113  34.111  11.374  -5.742638      11.56793  
1 1 1 -15 12  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 13  1  o 527.322 8.8621  151193.59  5061.57  150979.50  7157.84  151407.80  7158.44  525.886 12.567  526.637 12.550  -0.7510986     17.76003  
1 1 1 -15 13  2  o 418.185 7.0975  94950.27   3214.73  94513.57   4545.50  95387.29   4547.12  416.680 10.072  418.611 10.029  -1.930695      14.21344  
1 1 1 -15 13  3  o 337.979 5.8572  61971.36   2144.11  62835.43   3031.08  61105.97   3033.38  340.034 8.2301  335.305 8.3525  4.729675       11.72599  
1 1 1 -15 13  4  o 248.255 4.5303  33412.36   1218.14  33513.29   1719.75  33310.73   1725.69  248.496 6.3896  247.741 6.4313  0.7555847      9.065769  
1 1 1 -15 13  5  o 162.864 3.6310  14374.83   640.506  14415.34   861.579  14324.80   957.640  163.047 4.8788  162.508 5.4407  0.5383911      7.307820  
1 1 1 -15 13  6  o 236.080 4.3242  30214.46   1105.69  29456.95   1275.79  32500.57   2216.32  233.057 5.0542  244.495 8.3694  -11.43863      9.777048  
1 1 1 -15 13  7  o 104.152 2.8271  5877.36    318.920  5373.95    366.261  7455.85    648.556  99.582  3.3958  117.245 5.1072  -17.66367      6.133090  
1 1 1 -15 13  8  o 44.240  3.9272  1069.30    186.222  1253.98    224.610  663.197    333.065  47.892  4.3785  34.276  8.8946  13.61560       9.913914  
1 1 1 -15 13  9  o 268.243 6.8132  39087.98   1979.49  40410.48   2803.75  37773.61   2795.12  272.346 9.5049  263.260 9.8027  9.085693       13.65417  
1 1 1 -15 13  10 o 150.549 4.6441  12292.86   757.263  12244.52   1075.30  12340.41   1066.62  150.135 6.6126  150.727 6.5335  -0.5922394     9.295901  
1 1 1 -15 13  11 o 349.756 8.5783  66613.71   3249.66  66550.10   4597.60  66677.21   4593.84  348.618 12.176  348.958 12.154  -0.3396606     17.20431  
1 1 1 -15 13  12 o 243.167 6.3553  32125.17   1673.84  31690.97   2371.84  32555.96   2362.53  241.116 9.0822  244.412 8.9245  -3.295837      12.73313  
1 1 1 -15 13  13 o 221.916 4.1592  26708.82   999.690  27723.03   1158.22  23745.87   1979.65  226.041 4.7308  208.719 8.7570  17.32201       9.953170  
1 1 1 -15 13  14 o 333.636 5.7700  60465.52   2085.04  62306.47   2409.20  54971.87   4161.81  338.524 6.5707  316.473 12.142  22.05069       13.80552  
1 1 1 -15 13  15 o 80.574  3.1900  3519.52    278.396  3409.85    329.829  3791.24    519.159  79.291  3.8406  83.329  5.7881  -4.038498      6.946377  
1 1 1 -15 13  16 o 66.731  3.2004  2414.34    231.312  2067.95    333.923  2733.90    320.725  61.499  5.0580  70.856  4.1978  -9.357685      6.573029  
1 1 1 -15 13  17 o 63.581  3.3149  2198.39    227.487  1789.85    330.026  2568.22    314.002  57.128  5.3977  68.652  4.2437  -11.52451      6.866131  
1 1 1 -15 13  18 o 164.167 3.5215  14624.15   626.161  15588.12   892.679  13690.48   878.541  169.340 4.8670  158.667 5.1122  10.67255       7.058487  
1 1 1 -15 13  19 o 135.424 3.2416  9952.92    475.472  9284.56    677.696  10600.86   667.262  130.636 4.7896  139.638 4.4119  -9.002029      6.511944  
1 1 1 -15 13  20 o 178.755 3.6870  17366.19   713.842  16339.10   1013.47  18377.45   1005.63  173.033 5.4076  183.597 5.0571  -10.56400      7.403847  
1 1 1 -15 13  21 o 191.732 3.8211  20007.93   793.507  20559.93   1126.75  19464.77   1117.68  193.889 5.3654  188.617 5.4710  5.271286       7.662879  
1 1 1 -15 13  22 o 70.389  3.3372  2696.21    254.423  2551.16    353.260  2852.55    366.735  68.126  4.8186  72.077  4.7238  -3.950439      6.747849  
1 1 1 -15 13  23 o 53.778  3.8670  1586.42    223.739  1649.06    309.736  1518.06    323.546  54.535  5.3112  52.178  5.8244  2.356663       7.882462  
1 1 1 -15 13  24 o 29.354  6.9849  499.461    218.857  483.236    344.755  510.414    283.251  29.303  9.5034  29.633  8.4258  -0.3296051     12.70078  
1 1 1 -15 13  25 o 99.831  3.2852  5440.78    355.220  5433.97    516.158  5446.92    489.606  99.319  4.7982  99.525  4.5420  -0.2058487     6.606993  
1 1 1 -15 13  26 f 32.555  1.7985  577.357    63.170   452.422    339.667  581.833    64.292   28.232  9.4455  32.678  1.8237  -4.446581      9.619987  
1 1 1 -15 13  27 o 45.408  1.9047  1120.99    93.675   1145.09    98.071   870.135    316.418  45.886  1.9733  38.207  7.9069  7.679710       8.149426  
1 1 1 -15 13  28 o 70.676  3.7846  2762.40    288.659  3389.23    434.114  2265.58    386.477  77.617  5.1938  63.141  5.7131  14.47597       7.721089  
1 1 1 -15 13  29 o 32.719  6.9587  643.126    239.018  875.906    370.216  476.749    312.990  37.153  9.2389  27.893  9.0556  9.259920       12.93684  
1 1 1 -15 13  30 o 18.565  7.5794  122.398    241.098  433.532    361.002  -128.1188  323.932  26.467  9.6696  17.024  7.7959  9.443657       12.42084  
1 1 1 -15 13  31 o 33.064  1.8407  599.499    65.657   599.499    65.657   0.0000     0.0000   33.064  1.8407  ?       ?       0.000000       1.840690  
1 1 1 -15 13  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 14  1  o 151.388 3.2516  12418.32   533.162  12265.87   753.653  12571.06   754.356  150.414 4.6261  152.275 4.5738  -1.861649      6.505400  
1 1 1 -15 14  2  o 221.693 4.1527  26639.98   997.134  26341.58   1408.70  26939.61   1411.62  220.347 5.9026  222.838 5.8487  -2.490875      8.309486  
1 1 1 -15 14  3  o 190.507 3.7054  19668.76   764.565  18514.53   1077.70  20838.36   1084.85  184.759 5.3855  196.026 5.1096  -11.26712      7.423686  
1 1 1 -15 14  4  o 325.613 5.6512  57515.54   1993.01  56139.55   2816.08  58896.35   2821.01  321.407 8.0895  329.229 7.9111  -7.822021      11.31482  
1 1 1 -15 14  5  o 124.261 2.6847  8365.27    361.322  8400.03    456.728  8307.14    590.711  124.504 3.3869  123.787 4.4059  0.7172623      5.557229  
1 1 1 -15 14  6  o 334.878 5.7845  60847.37   2098.09  61571.56   2421.96  58669.71   4199.86  336.763 6.6401  327.839 11.828  8.923767       13.56419  
1 1 1 -15 14  7  o 27.503  1.4377  410.813    42.680   386.183    145.227  413.141    44.652   26.212  5.2975  27.578  1.5005  -1.365162      5.505920  
1 1 1 -15 14  8  o 265.054 5.5188  38119.53   1584.33  37326.60   1939.81  39708.31   2745.84  262.149 6.8319  270.029 9.3885  -7.880493      11.61111  
1 1 1 -15 14  9  o 564.646 10.881  174039.30  6654.38  169466.41  8149.44  183188.20  11527.07 555.976 13.533  575.001 18.509  -19.02527      22.92874  
1 1 1 -15 14  10 o 192.148 5.4204  20036.44   1128.07  18980.05   1603.76  21070.91   1587.04  186.792 7.9270  196.864 7.4431  -10.07184      10.87368  
1 1 1 -15 14  11 o 181.091 5.1502  17795.34   1010.17  18185.20   1434.00  17411.30   1423.24  182.886 7.2393  178.942 7.3434  3.944016       10.31181  
1 1 1 -15 14  12 o 278.254 7.1006  42099.38   2139.96  41279.71   3034.20  42910.62   3018.57  274.945 10.189  280.380 9.9400  -5.434692      14.23435  
1 1 1 -15 14  13 o 210.577 5.7415  24081.66   1309.50  23479.26   1859.23  24674.66   1844.68  207.613 8.2682  212.872 8.0008  -5.258911      11.50546  
1 1 1 -15 14  14 o 282.524 5.0621  43329.18   1549.01  43086.67   1790.65  44050.25   3087.64  281.617 5.8706  283.881 10.042  -2.263367      11.63210  
1 1 1 -15 14  15 o 154.132 3.4350  12881.04   573.445  12364.91   662.866  14416.28   1143.23  150.976 4.0537  162.805 6.4833  -11.82919      7.646270  
1 1 1 -15 14  16 o 131.201 3.2106  9333.16    456.235  10026.09   670.140  8734.52    622.878  135.903 4.5527  126.849 4.5336  9.054016       6.424980  
1 1 1 -15 14  17 o 123.313 3.1107  8245.60    415.461  8417.11    593.597  8080.91    581.686  124.507 4.4018  121.995 4.4022  2.511917       6.225378  
1 1 1 -15 14  18 o 66.303  3.2904  2384.86    236.295  2585.56    344.617  2206.78    324.622  68.820  4.6506  63.543  4.7511  5.277287       6.648340  
1 1 1 -15 14  19 o 173.307 3.5950  16308.97   674.825  16754.38   956.020  15866.67   952.681  175.435 5.0313  170.703 5.1527  4.732437       7.201709  
1 1 1 -15 14  20 o 206.185 4.0343  23122.86   900.935  23065.91   1275.44  23179.56   1272.80  205.477 5.7309  205.991 5.7048  -0.5137482     8.086294  
1 1 1 -15 14  21 o 82.361  3.0609  3685.55    273.051  3800.49    396.873  3582.24    376.257  83.375  4.4106  80.957  4.3065  2.418098       6.164360  
1 1 1 -15 14  22 o 186.280 3.7578  18909.03   758.167  17635.03   1070.60  20190.72   1073.83  179.256 5.5142  191.962 5.1647  -12.70572      7.555212  
1 1 1 -15 14  23 o 136.618 3.2727  10164.79   484.267  9165.41    682.340  11179.04   687.400  129.287 4.8728  142.935 4.4402  -13.64745      6.592358  
1 1 1 -15 14  24 o 56.927  4.1493  1783.37    254.076  1234.71    394.584  2171.98    332.081  46.164  8.1916  62.659  4.9330  -16.49549      9.562304  
1 1 1 -15 14  25 o 51.440  4.4221  1464.35    243.983  1388.50    368.732  1523.42    325.403  49.255  7.1183  52.061  5.8735  -2.806427      9.228623  
1 1 1 -15 14  26 o 129.783 3.4039  9218.00    478.474  8826.31    685.234  9590.69    668.408  126.227 5.0121  131.767 4.6835  -5.539566      6.859703  
1 1 1 -15 14  27 o 85.538  3.5571  4017.22    329.556  3733.18    502.619  4231.42    436.476  81.395  5.7380  87.261  4.6348  -5.866119      7.376058  
1 1 1 -15 14  28 o 45.270  2.3794  1120.97    116.255  1070.75    123.149  1532.18    352.391  44.201  2.5836  51.482  6.4621  -7.280518      6.959468  
1 1 1 -15 14  29 o 8.5719  2.6112  40.377     26.427   -270.4142  357.429  42.086     26.500   16.807  7.8650  8.7199  2.6055  8.086894       8.285324  
1 1 1 -15 14  30 o 27.492  7.7531  478.823    240.849  361.816    378.012  558.782    312.489  25.200  9.7436  29.188  8.9948  -3.987442      13.26065  
1 1 1 -15 14  31 o 30.348  1.7297  504.578    56.621   504.578    56.621   0.0000     0.0000   30.348  1.7297  ?       ?       0.000000       1.729741  
1 1 1 -15 14  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 15  1  o 246.622 4.4806  32973.58   1196.84  32645.84   1690.78  33302.73   1694.40  245.262 6.3648  247.721 6.3152  -2.459396      8.966182  
1 1 1 -15 15  2  o 193.974 3.8457  20392.27   807.967  19651.31   1078.92  21338.39   1219.17  190.354 5.2331  198.331 5.6755  -7.977524      7.719849  
1 1 1 -15 15  3  o 189.108 3.8498  19382.14   788.530  19299.61   1052.41  19487.77   1190.64  188.646 5.1507  189.527 5.8001  -0.8815308     7.757020  
1 1 1 -15 15  4  o 128.069 3.0287  8886.72    420.123  8760.75    584.731  9021.14    604.024  127.127 4.2467  129.000 4.3231  -1.873138      6.059968  
1 1 1 -15 15  5  o 197.291 3.8239  21096.39   817.113  22091.32   943.153  18102.25   1636.14  201.867 4.3137  182.482 8.2781  19.38570       9.334615  
1 1 1 -15 15  6  f 246.974 4.5064  33071.34   1205.46  32159.09   1390.59  35829.58   2418.01  243.491 5.2729  256.657 8.6983  -13.16615      10.17169  
1 1 1 -15 15  7  o 113.120 2.9403  6933.46    360.251  6719.55    416.591  7567.73    717.364  111.351 3.4542  118.100 5.6081  -6.749336      6.586547  
1 1 1 -15 15  8  o 213.428 4.6397  24702.80   1072.54  23969.45   1313.07  26172.97   1859.16  210.157 5.7686  219.408 7.8234  -9.250900      9.720183  
1 1 1 -15 15  9  o 172.383 4.0942  16111.15   764.421  16721.39   936.227  14890.72   1324.00  175.573 4.9233  165.513 7.3856  10.05984       8.876110  
1 1 1 -15 15  10 o 323.884 5.6701  56940.98   1989.08  57082.27   2297.44  56518.09   3974.80  324.161 6.5435  321.545 11.413  2.615906       13.15587  
1 1 1 -15 15  11 o 251.803 6.5239  34448.64   1779.26  34457.02   2523.20  34440.35   2509.36  251.421 9.2657  251.368 9.2169  0.5221558E-01  13.06922  
1 1 1 -15 15  12 o 337.228 8.3726  61936.22   3058.12  59658.92   4330.08  64202.53   4319.62  329.953 12.116  342.440 11.646  -12.48706      16.80609  
1 1 1 -15 15  13 f 389.359 9.5054  82739.38   4008.60  78342.70   5671.26  87129.12   5666.78  377.224 13.881  398.154 13.141  -20.92950      19.11408  
1 1 1 -15 15  14 o 131.631 4.6666  9402.45    665.314  8048.99    973.305  10589.54   911.523  121.375 7.4396  139.599 6.0286  -18.22407      9.575589  
1 1 1 -15 15  15 o 160.080 4.0635  13901.53   704.549  13421.98   873.903  14792.03   1190.86  157.214 5.1322  164.888 6.6681  -7.673538      8.414441  
1 1 1 -15 15  16 o 109.962 3.1775  6555.92    378.441  6896.91    448.174  5708.70    706.440  112.764 3.6695  102.230 6.4126  10.53379       7.388249  
1 1 1 -15 15  17 o 173.393 3.6099  16310.96   677.948  17048.65   979.465  15632.50   939.322  177.113 5.1058  169.597 5.1136  7.516342       7.226239  
1 1 1 -15 15  18 o 265.329 4.8168  38271.58   1384.26  39079.24   1964.49  37475.09   1950.85  267.613 6.7776  262.034 6.8738  5.578400       9.653182  
1 1 1 -15 15  19 o 136.470 3.2434  10108.31   479.419  9159.83    683.747  11025.57   672.396  129.730 4.8661  142.400 4.3596  -12.67014      6.533382  
1 1 1 -15 15  20 o 236.581 4.6250  30487.97   1185.12  29056.92   1813.48  31554.69   1565.70  229.978 7.2804  240.202 6.0181  -10.22391      9.445790  
1 1 1 -15 15  21 o 40.024  2.2518  871.835    97.219   839.627    105.126  1062.10    255.510  39.254  2.4855  43.714  5.5195  -4.460461      6.053330  
1 1 1 -15 15  22 o 37.172  2.0559  751.975    82.452   744.230    85.899   842.697    293.992  36.970  2.1545  38.386  7.3387  -1.415916      7.648428  
1 1 1 -15 15  23 o 81.332  2.8193  3597.44    248.354  3558.50    314.719  3661.71    404.337  80.784  3.5969  81.647  4.5909  -0.8632584     5.832176  
1 1 1 -15 15  24 o 49.120  4.6469  1336.22    244.287  1270.67    356.735  1394.11    335.216  47.165  7.2125  49.714  6.3722  -2.549580      9.624148  
1 1 1 -15 15  25 o 50.738  4.4438  1425.41    241.745  1766.45    369.320  1169.75    319.767  55.989  6.1939  45.262  6.7274  10.72704       9.144535  
1 1 1 -15 15  26 o 67.532  3.8241  2510.67    278.564  2337.13    419.971  2646.99    372.233  64.343  6.0991  68.948  5.0190  -4.605286      7.898670  
1 1 1 -15 15  27 o 57.800  4.2375  1854.29    263.433  1526.88    402.385  2099.88    348.500  51.104  7.4921  61.116  5.3178  -10.01102      9.187531  
1 1 1 -15 15  28 o 85.691  3.1206  4026.96    289.631  4081.33    373.103  3944.52    459.447  85.918  4.0094  83.807  5.0856  2.111084       6.476007  
1 1 1 -15 15  29 o 52.807  4.7529  1575.92    268.932  1089.43    429.260  1890.23    345.041  41.130  9.7791  57.413  5.6208  -16.28279      11.27941  
1 1 1 -15 15  30 o 41.930  5.9007  1041.11    260.562  1124.90    421.028  989.107    331.717  40.878  9.6621  39.488  8.0295  1.390003       12.56301  
1 1 1 -15 15  31 o 15.551  7.4587  -356.8539  362.001  -356.8539  362.001  0.0000     0.0000   15.551  7.4587  ?       ?       0.000000       7.458738  
1 1 1 -15 15  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 16  1  o 396.858 6.7943  85503.40   2920.44  82964.03   4129.14  88045.20   4131.11  390.408 9.7650  402.244 9.4822  -11.83606      13.61126  
1 1 1 -15 16  2  o 169.314 3.4653  15534.82   635.493  15522.30   895.677  15547.52   901.798  169.192 4.8877  169.328 4.9171  -0.1361237     6.933051  
1 1 1 -15 16  3  o 254.749 4.6056  35185.55   1270.77  33782.87   1794.46  36596.61   1799.81  249.466 6.6413  259.669 6.3994  -10.20322      9.222736  
1 1 1 -15 16  4  o 63.646  2.4996  2194.49    172.312  2066.87    216.523  2414.92    284.562  61.675  3.2529  66.631  3.9608  -4.956757      5.125359  
1 1 1 -15 16  5  o 155.119 3.3023  13038.75   554.810  13357.05   640.256  12079.27   1111.62  156.986 3.7655  149.149 6.8813  7.837326       7.844145  
1 1 1 -15 16  6  o 246.281 4.4742  32886.02   1193.49  32340.42   1376.86  34534.93   2393.61  244.179 5.2061  251.962 8.7710  -7.782486      10.19967  
1 1 1 -15 16  7  o 214.456 3.9681  24930.70   921.700  23972.42   1063.33  27826.34   1848.40  210.254 4.6693  226.282 7.5418  -16.02776      8.870239  
1 1 1 -15 16  8  o 120.900 3.4749  7922.06    455.025  7863.30    556.443  8040.66    790.540  120.427 4.2660  121.707 5.9971  -1.279930      7.359608  
1 1 1 -15 16  9  o 213.203 4.6742  24653.39   1079.36  23566.77   1321.06  26835.38   1872.01  208.362 5.8537  222.143 7.7805  -13.78056      9.736643  
1 1 1 -15 16  10 o 483.958 8.1411  127454.30  4267.36  125712.30  4927.35  132681.80  8535.58  480.230 9.4731  490.372 16.071  -10.14151      18.65504  
1 1 1 -15 16  11 o 126.287 3.1025  8643.31    424.360  8664.75    494.833  8583.73    825.043  126.427 3.6137  125.720 6.0590  0.7066956      7.054799  
1 1 1 -15 16  12 f 161.271 4.8658  14112.15   849.935  13485.85   1209.04  14724.05   1195.06  157.482 7.0883  164.588 6.7038  -7.106339      9.756276  
1 1 1 -15 16  13 o 62.413  4.4473  2123.85    298.673  2326.98    455.028  1970.09    395.893  65.106  6.5413  59.899  6.1916  5.207279       9.006931  
1 1 1 -15 16  14 o 65.579  4.7018  2345.81    331.747  1955.05    543.036  2578.49    419.033  59.252  8.7227  68.664  5.6856  -9.412205      10.41208  
1 1 1 -15 16  15 o 57.502  4.9205  1808.28    303.497  2308.23    458.179  1417.41    405.121  64.803  6.6209  50.443  7.6555  14.35970       10.12142  
1 1 1 -15 16  16 o 198.693 5.5406  21456.88   1192.36  21507.08   1695.93  21407.80   1676.74  198.559 7.8858  198.114 7.8142  0.4458313      11.10167  
1 1 1 -15 16  17 o 331.000 5.7448  59605.18   2059.54  62438.84   2920.34  56801.23   2904.99  338.061 7.9757  322.314 8.3214  15.74786       11.52635  
1 1 1 -15 16  18 f 184.204 3.8118  18420.66   760.506  17472.80   1086.75  19330.31   1064.63  179.147 5.6008  188.496 5.2147  -9.348358      7.652551  
1 1 1 -15 16  19 o 100.728 3.1065  5506.13    338.916  5866.00    505.449  5212.17    456.830  103.849 4.4937  97.908  4.3079  5.941154       6.225067  
1 1 1 -15 16  20 f 65.906  3.3599  2365.76    239.046  2208.13    359.411  2490.80    320.114  63.394  5.2826  67.495  4.4030  -4.101341      6.876932  
1 1 1 -15 16  21 o 38.340  4.7858  814.819    194.408  661.758    285.346  947.414    265.584  33.915  7.9127  41.111  6.1538  -7.195377      10.02400  
1 1 1 -15 16  22 o 63.004  3.5101  2168.36    238.578  1687.82    329.941  2694.94    345.389  55.164  5.5998  70.065  4.5764  -14.90145      7.231996  
1 1 1 -15 16  23 o 70.462  3.2706  2704.27    249.603  2741.83    342.373  2661.65    364.665  70.632  4.4988  69.499  4.8753  1.133293       6.633854  
1 1 1 -15 16  24 o 57.789  4.1578  1838.28    258.505  2065.90    379.460  1641.16    353.121  60.826  5.8313  54.061  6.1396  6.764591       8.467520  
1 1 1 -15 16  25 o ?       ?       -129.1228  27.683   -129.8929  27.828   -55.3960   272.272  ?       ?       17.145  7.5500  0.000000       7.549972  
1 1 1 -15 16  26 o 44.758  5.0233  1123.12    239.315  999.337    368.060  1213.78    314.989  40.923  8.5781  46.051  6.4956  -5.127701      10.75992  
1 1 1 -15 16  27 o 38.754  2.1994  820.320    91.939   990.515    371.299  809.204    94.894   40.433  8.7337  38.477  2.2873  1.956432       9.028296  
1 1 1 -15 16  28 o 37.416  6.4104  817.489    250.439  838.196    373.245  800.532    337.757  36.622  9.3711  36.039  8.7424  0.5833435      12.81584  
1 1 1 -15 16  29 o 47.168  2.3428  1215.56    119.688  1209.01    128.314  1259.44    332.031  46.939  2.5333  46.114  6.8565  0.8254623      7.309489  
1 1 1 -15 16  30 o 36.163  6.5901  795.815    248.613  735.629    390.946  836.680    322.142  32.623  10.062  35.918  8.4261  -3.295330      13.12417  
1 1 1 -15 16  31 o 16.158  7.6829  -294.6757  366.734  -294.6757  366.734  0.0000     0.0000   16.158  7.6829  ?       ?       0.000000       7.682947  
1 1 1 -15 16  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 17  1  o 176.337 3.7024  16852.03   707.136  16309.46   1052.57  17298.37   954.665  173.392 5.6047  178.606 4.9350  -5.213593      7.467706  
1 1 1 -15 17  2  o 393.984 6.6973  84266.38   2857.92  82808.04   4040.65  85726.25   4042.76  390.067 9.5640  396.913 9.4040  -6.846161      13.41290  
1 1 1 -15 17  3  o 325.756 5.6379  57568.09   1989.22  55160.45   2810.43  59985.21   2815.96  318.570 8.1451  332.257 7.8250  -13.68668      11.29480  
1 1 1 -15 17  4  o 426.127 7.7645  98668.41   3583.61  99388.56   3832.92  93666.52   10101.47 427.582 8.2764  409.365 22.874  18.21695       24.32536  
1 1 1 -15 17  5  o 294.986 5.1710  47196.43   1652.12  46477.30   1906.65  49363.38   3309.74  292.651 6.0152  301.025 10.151  -8.373779      11.79966  
1 1 1 -15 17  6  o 268.272 4.7785  39028.31   1388.48  38058.28   1601.93  41958.13   2784.01  264.852 5.5843  277.643 9.2579  -12.79120      10.81175  
1 1 1 -15 17  7  o 327.785 5.6782  58303.55   2015.89  57797.66   2326.88  59825.73   4036.29  326.247 6.5850  331.061 11.257  -4.814301      13.04115  
1 1 1 -15 17  8  o 60.902  2.8683  2009.77    189.203  1923.03    215.044  2307.02    398.092  59.473  3.3520  64.949  5.7173  -5.475475      6.627496  
1 1 1 -15 17  9  o 232.942 6.1122  29461.71   1542.10  27867.46   2178.78  31062.07   2182.95  226.225 8.8921  238.906 8.4362  -12.68011      12.25719  
1 1 1 -15 17  10 o 226.946 4.2488  27929.38   1044.38  26795.13   1206.00  31330.91   2088.48  222.232 5.0104  239.959 8.0357  -17.72694      9.469744  
1 1 1 -15 17  11 o 204.031 3.9958  22571.92   883.017  21490.11   1020.77  25788.23   1760.08  199.032 4.7352  217.748 7.4629  -18.71671      8.838380  
1 1 1 -15 17  12 o 171.809 3.5691  16002.42   664.157  15389.25   768.515  17811.47   1320.04  168.450 4.2122  181.018 6.7328  -12.56746      7.941859  
1 1 1 -15 17  13 o 35.695  4.6753  703.094    176.409  675.401    217.307  756.615    302.101  34.773  5.9858  36.587  7.8581  -1.814140      9.878224  
1 1 1 -15 17  14 f 263.814 6.7926  37857.50   1940.90  37816.66   2756.60  37897.64   2733.23  263.077 9.6743  263.381 9.5812  -0.3039246     13.61591  
1 1 1 -15 17  15 o 42.601  5.8622  1004.83    263.323  889.717    412.900  1083.74    341.866  39.555  9.7096  44.008  7.4372  -4.453438      12.23058  
1 1 1 -15 17  16 o 213.436 5.8630  24771.61   1355.36  23033.71   1924.19  26482.97   1909.44  205.320 8.6526  220.298 8.0025  -14.97815      11.78589  
1 1 1 -15 17  17 o 117.387 4.4442  7483.20    565.039  0.0000     0.0000   7483.20    565.039  ?       ?       117.387 4.4442  0.000000       4.444161  
1 1 1 -15 17  18 o 81.985  2.8238  3645.14    250.750  3356.73    331.829  4029.05    382.844  78.626  3.8965  86.129  4.1040  -7.502533      5.659110  
1 1 1 -15 17  19 o 89.679  3.2258  4365.42    313.325  4245.51    486.283  4450.53    409.709  88.138  5.1160  90.478  4.1808  -2.339355      6.607007  
1 1 1 -15 17  20 o 109.202 3.1956  6476.92    377.970  6079.54    568.288  6792.16    506.152  105.580 4.9695  111.711 4.1833  -6.130981      6.495836  
1 1 1 -15 17  21 o 43.340  2.1347  1018.93    100.204  1013.75    107.647  1052.55    274.239  43.162  2.3111  43.404  5.9934  -0.2427635     6.423512  
1 1 1 -15 17  22 o 27.821  6.2990  443.311    185.396  615.352    247.518  223.430    279.823  32.711  7.1829  22.668  8.4713  10.04306       11.10658  
1 1 1 -15 17  23 o 87.209  3.0802  4140.04    290.949  3571.92    402.743  4760.17    420.776  80.615  4.6320  93.314  4.1633  -12.69917      6.228037  
1 1 1 -15 17  24 o 42.298  5.3249  1001.79    238.545  1530.72    354.784  565.377    322.263  52.093  6.4241  31.094  9.0328  20.99970       11.08419  
1 1 1 -15 17  25 o 120.264 3.3641  7901.77    438.202  7985.72    651.632  7832.47    592.063  120.266 5.0025  119.290 4.5824  0.9758987      6.784061  
1 1 1 -15 17  26 o 60.023  2.6066  1963.53    169.456  1920.42    194.158  2101.37    347.152  59.217  3.0374  61.284  5.2816  -2.066883      6.092696  
1 1 1 -15 17  27 f 69.255  3.8128  2647.49    284.894  2563.86    432.813  2711.43    378.441  67.219  6.0081  69.597  5.0549  -2.377846      7.851709  
1 1 1 -15 17  28 o 22.885  7.9043  289.362    238.136  183.202    358.459  373.227    318.603  22.794  9.2665  25.814  9.1271  -3.019978      13.00660  
1 1 1 -15 17  29 o 11.713  2.7462  78.193     34.234   75.563     34.469   269.007    293.591  11.512  2.7930  22.930  8.6552  -11.41822      9.094649  
1 1 1 -15 17  30 o 34.842  1.6010  661.375    60.419   561.523    383.280  663.920    61.184   28.873  10.025  34.907  1.6183  -6.033276      10.15457  
1 1 1 -15 17  31 o 21.896  9.2958  195.947    383.706  195.947    383.706  0.0000     0.0000   21.896  9.2958  ?       ?       0.000000       9.295831  
1 1 1 -15 17  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 18  1  o 341.233 5.9586  63181.86   2202.23  61803.86   3113.11  64562.19   3115.74  337.146 8.5252  344.616 8.3475  -7.469788      11.93148  
1 1 1 -15 18  2  o 296.855 5.2407  47795.56   1685.03  46743.88   2381.07  48850.65   2384.93  293.339 7.4943  299.895 7.3423  -6.556244      10.49165  
1 1 1 -15 18  3  o 254.709 4.1139  35167.12   1134.93  35670.36   1463.42  34407.68   1797.73  256.447 5.2687  251.758 6.5928  4.689758       8.439449  
1 1 1 -15 18  4  o 330.609 5.7616  59304.59   2063.14  60127.14   2381.55  56830.63   4130.23  332.796 6.6071  322.668 11.818  10.12750       13.53962  
1 1 1 -15 18  5  o 207.735 3.9606  23391.31   891.127  23760.25   1028.13  22277.07   1786.74  209.337 4.5345  202.429 8.1493  6.908356       9.325899  
1 1 1 -15 18  6  o 191.948 3.7879  19970.26   787.494  20117.55   908.537  19525.32   1579.08  192.628 4.3547  189.541 7.6918  3.086441       8.838958  
1 1 1 -15 18  7  o 394.851 6.6499  84670.10   2843.94  84441.26   3282.86  85358.37   5693.25  394.130 7.6903  394.787 13.315  -0.6561279     15.37591  
1 1 1 -15 18  8  o 107.876 2.9106  6305.68    340.071  5866.05    391.939  7644.77    684.034  104.034 3.4783  118.700 5.3206  -14.66564      6.356659  
1 1 1 -15 18  9  o 233.241 6.9135  29560.14   1746.51  30436.81   2156.16  27887.51   2978.27  236.483 8.4180  225.419 12.244  11.06418       14.85890  
1 1 1 -15 18  10 o 355.969 6.1451  68814.28   2369.25  67068.69   2735.70  74052.31   4738.94  351.244 7.1910  367.862 11.894  -16.61761      13.89879  
1 1 1 -15 18  11 o 200.097 4.1122  21711.69   891.225  21854.93   973.823  20973.17   2211.24  200.731 4.4792  195.685 10.471  5.046310       11.38875  
1 1 1 -15 18  12 o 187.441 4.0141  19052.51   814.945  18806.00   893.357  20274.71   1989.19  186.198 4.4298  192.764 9.5275  -6.566559      10.50698  
1 1 1 -15 18  13 o 311.905 5.5019  52825.83   1858.68  52897.23   2147.49  52612.62   3710.75  311.977 6.3553  310.023 11.051  1.953827       12.74805  
1 1 1 -15 18  14 o 189.649 3.7949  19505.09   779.511  19495.65   903.349  19532.62   1542.51  189.557 4.3999  189.395 7.5195  0.1618195      8.712159  
1 1 1 -15 18  15 o 74.616  4.5243  3032.87    363.914  3124.24    588.953  2976.44    462.843  75.388  7.3045  73.771  5.8404  1.617683       9.352331  
1 1 1 -15 18  16 o 29.101  8.0161  476.405    260.720  -135.4529  408.181  898.064    338.850  20.730  9.1803  39.851  8.1259  -19.12133      12.26006  
1 1 1 -15 18  17 o 140.376 6.4988  10736.61   988.083  0.0000     0.0000   10736.61   988.083  ?       ?       140.376 6.4988  0.000000       6.498759  
1 1 1 -15 18  18 o 239.907 6.3170  31390.98   1641.44  0.0000     0.0000   31390.98   1641.44  ?       ?       239.907 6.3170  0.000000       6.317015  
1 1 1 -15 18  19 o 165.488 4.9534  14914.71   887.844  0.0000     0.0000   14914.71   887.844  ?       ?       165.488 4.9534  0.000000       4.953351  
1 1 1 -15 18  20 o 158.092 3.4458  13582.50   590.020  14720.17   857.014  12557.39   813.513  164.307 4.8157  151.728 4.9503  12.57901       6.906270  
1 1 1 -15 18  21 o 96.443  3.1986  5056.83    334.117  5294.06    500.083  4865.55    449.050  98.459  4.6894  94.439  4.3901  4.020180       6.423644  
1 1 1 -15 18  22 o 37.198  5.4755  775.405    214.006  983.051    314.762  596.904    291.837  41.532  7.2617  32.088  8.3255  9.443851       11.04744  
1 1 1 -15 18  23 o 159.916 3.5796  13947.52   620.010  12886.12   886.062  14965.79   867.875  153.048 5.3452  165.164 4.8515  -12.11546      7.218593  
1 1 1 -15 18  24 o 87.963  3.4448  4223.90    328.195  3786.28    476.628  4618.47    452.581  82.656  5.3527  91.707  4.5564  -9.051208      7.029404  
1 1 1 -15 18  25 o 54.992  4.3420  1671.86    256.515  2023.57    408.524  1442.94    329.590  59.864  6.3998  50.534  6.1484  9.329613       8.874640  
1 1 1 -15 18  26 f 89.160  3.4849  4355.00    336.538  4149.02    516.035  4507.44    443.935  86.101  5.5632  90.232  4.5572  -4.130653      7.191485  
1 1 1 -15 18  27 o 94.280  3.4258  4878.28    349.832  4397.79    519.826  5276.04    472.961  88.475  5.4512  97.594  4.4744  -9.119240      7.052312  
1 1 1 -15 18  28 o 65.214  3.9214  2357.78    275.691  2290.91    431.423  2403.93    358.420  63.086  6.4027  65.333  5.1057  -2.246929      8.189173  
1 1 1 -15 18  29 o 19.181  7.5203  154.414    227.618  205.753    362.528  121.005    292.447  22.875  9.3114  20.026  8.2803  2.848431       12.46056  
1 1 1 -15 18  30 o 19.382  7.6041  175.795    232.856  147.063    372.970  194.149    298.090  21.485  9.1442  20.940  8.4725  0.5447655      12.46594  
1 1 1 -15 18  31 f 15.591  7.5355  -430.3012  386.410  -430.3012  386.410  0.0000     0.0000   15.591  7.5355  ?       ?       0.000000       7.535505  
1 1 1 -15 18  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 19  1  o 356.116 6.1397  68824.24   2368.15  67630.50   3347.66  70020.00   3350.48  352.627 8.7651  358.828 8.6209  -6.200592      12.29413  
1 1 1 -15 19  2  o 247.137 4.4691  33113.38   1196.26  32968.87   1688.61  33258.96   1694.94  246.459 6.3258  247.541 6.3218  -1.082275      8.943166  
1 1 1 -15 19  3  f 241.144 4.6879  31530.82   1224.40  31931.63   1324.21  29168.66   3214.67  242.649 5.0386  230.639 12.921  12.00970       13.86835  
1 1 1 -15 19  4  o 150.221 3.2221  12228.21   524.249  12189.08   604.287  12347.27   1054.08  149.966 3.7203  150.815 6.4530  -0.8493652     7.448589  
1 1 1 -15 19  5  o 143.337 3.1495  11133.03   488.959  11316.98   563.367  10571.36   984.419  144.504 3.5995  139.541 6.5134  4.962830       7.441832  
1 1 1 -15 19  6  o 60.900  2.8114  2009.50    185.441  1968.13    211.104  2149.32    388.063  60.177  3.2509  62.669  5.7824  -2.491695      6.633576  
1 1 1 -15 19  7  o 239.983 4.3335  31227.10   1126.39  29409.78   1298.82  36740.56   2262.28  232.837 5.1502  259.922 8.0359  -27.08542      9.544632  
1 1 1 -15 19  8  o 226.167 4.4630  27738.59   1093.28  27647.66   1185.85  28253.74   2822.53  225.769 4.8495  227.110 11.512  -1.341431      12.49183  
1 1 1 -15 19  9  o 230.807 6.0678  28925.26   1516.87  27125.04   2142.88  30733.26   2147.50  223.177 8.8650  237.633 8.3436  -14.45609      12.17389  
1 1 1 -15 19  10 o 108.466 2.9538  6375.40    347.011  6019.59    399.822  7461.76    698.617  105.381 3.5029  117.249 5.5012  -11.86754      6.521823  
1 1 1 -15 19  11 o 371.945 6.4014  75162.47   2578.84  74603.32   2977.70  76840.30   5158.12  370.353 7.4233  374.297 12.723  -3.943573      14.73063  
1 1 1 -15 19  12 f 289.093 5.1602  45361.06   1615.74  45160.20   1866.59  45961.34   3226.85  288.343 5.9768  290.045 10.272  -1.702515      11.88405  
1 1 1 -15 19  13 o 112.238 3.0620  6827.85    372.236  7081.35    437.404  6162.12    708.825  114.286 3.5336  106.310 6.1826  7.976166       7.121173  
1 1 1 -15 19  14 o 88.914  3.0512  4285.29    293.844  4437.40    348.752  3913.07    545.562  90.463  3.5594  84.644  5.9895  5.819130       6.967300  
1 1 1 -15 19  15 o 184.149 3.6636  18391.57   730.709  19322.75   851.339  15786.32   1424.00  188.712 4.1652  170.176 7.7257  18.53601       8.776984  
1 1 1 -15 19  16 o 245.928 5.2680  32867.17   1403.22  31900.02   1720.57  34788.18   2424.88  242.052 6.5628  252.212 8.8767  -10.16019      11.03937  
1 1 1 -15 19  17 o 204.102 5.7306  22669.41   1266.83  20264.52   1800.19  25028.79   1783.07  192.382 8.6394  214.047 7.6911  -21.66476      11.56687  
1 1 1 -15 19  18 o 228.578 6.0916  28487.46   1508.12  0.0000     0.0000   28487.46   1508.12  ?       ?       228.578 6.0916  0.000000       6.091601  
1 1 1 -15 19  19 o 118.999 4.3355  7702.85    558.789  0.0000     0.0000   7702.85    558.789  ?       ?       118.999 4.3355  0.000000       4.335465  
1 1 1 -15 19  20 o 98.068  4.1897  5236.04    445.015  0.0000     0.0000   5236.04    445.015  ?       ?       98.068  4.1897  0.000000       4.189663  
1 1 1 -15 19  21 o 73.738  4.4856  2978.50    356.546  0.0000     0.0000   2978.50    356.546  ?       ?       73.738  4.4856  0.000000       4.485600  
1 1 1 -15 19  22 o 142.798 3.4077  11104.09   527.048  10575.33   745.396  11632.75   745.320  138.930 4.9536  145.788 4.7201  -6.858063      6.842309  
1 1 1 -15 19  23 o 45.252  4.8353  1135.82    233.321  1127.58    356.986  1141.97    308.277  44.311  7.7187  44.952  6.5222  -0.6402588     10.10530  
1 1 1 -15 19  24 o 95.746  3.3936  5003.62    351.923  5455.17    538.090  4666.08    465.216  99.396  5.0144  92.023  4.6830  7.372971       6.861114  
1 1 1 -15 19  25 f 32.947  6.5805  627.757    226.607  731.803    363.923  561.869    289.602  34.933  9.4082  30.831  8.4303  4.101707       12.63268  
1 1 1 -15 19  26 o 13.092  6.1107  -188.4420  213.485  -111.8531  352.539  -232.7905  268.265  18.740  8.3998  14.647  6.8411  4.092529       10.83312  
1 1 1 -15 19  27 o 21.477  7.7060  237.022    227.908  484.571    371.004  86.989     288.829  28.851  9.8706  19.703  8.1944  9.147545       12.82874  
1 1 1 -15 19  28 o 54.843  4.4847  1682.64    264.064  1266.83    408.181  1981.91    346.291  45.623  8.5752  59.106  5.4714  -13.48281      10.17200  
1 1 1 -15 19  29 o 28.100  7.7010  487.273    241.345  174.043    396.535  671.577    304.171  22.951  9.5780  32.635  8.5154  -9.683840      12.81602  
1 1 1 -15 19  30 o 34.976  6.8782  756.986    251.283  501.340    412.491  907.840    316.864  27.605  10.291  37.588  8.0272  -9.982336      13.05174  
1 1 1 -15 19  31 o 21.240  9.1615  149.883    383.698  149.883    383.698  0.0000     0.0000   21.240  9.1615  ?       ?       0.000000       9.161465  
1 1 1 -15 19  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 20  1  o 247.036 4.5057  33087.54   1205.56  31893.13   1702.61  34288.46   1707.24  242.385 6.4854  251.342 6.2713  -8.957001      9.021643  
1 1 1 -15 20  2  o 190.437 3.7321  19655.61   769.798  19950.55   887.463  18759.32   1547.07  191.836 4.2712  185.805 7.6875  6.031921       8.794316  
1 1 1 -15 20  3  o 124.136 2.9448  8349.30    395.936  8338.09    455.068  8384.23    803.201  124.042 3.3872  124.299 5.9661  -0.2564545     6.860520  
1 1 1 -15 20  4  o 382.499 6.5055  79428.45   2695.14  78351.45   3111.03  82668.22   5395.74  379.732 7.5641  388.842 12.812  -9.109528      14.87805  
1 1 1 -15 20  5  o 347.824 6.0139  65661.04   2265.60  66326.99   2614.97  63656.32   4537.03  349.462 6.9087  341.297 12.274  8.164337       14.08437  
1 1 1 -15 20  6  o 204.469 3.8744  22662.36   858.030  22074.42   989.484  24444.63   1722.78  201.764 4.5279  212.082 7.4999  -10.31741      8.760744  
1 1 1 -15 20  7  o 151.117 3.2824  12375.89   537.243  12260.96   618.128  12730.86   1086.31  150.396 3.7947  153.107 6.5507  -2.711380      7.570389  
1 1 1 -15 20  8  o 413.013 7.5549  92739.14   3379.57  92806.30   3616.14  92275.59   9499.74  413.047 8.0831  405.772 21.694  7.274445       23.15072  
1 1 1 -15 20  9  o 239.401 5.1105  31096.55   1325.12  29962.05   1622.47  33369.43   2296.49  234.870 6.3779  247.574 8.5642  -12.70413      10.67820  
1 1 1 -15 20  10 o 419.393 7.1045  95618.16   3227.21  93209.47   3725.92  102852.60  6457.24  413.786 8.3136  432.700 13.778  -18.91367      16.09200  
1 1 1 -15 20  11 o 264.165 4.8034  37860.81   1374.35  36844.00   1587.55  40902.27   2745.66  260.504 5.6266  273.888 9.2556  -13.38354      10.83162  
1 1 1 -15 20  12 o 121.211 3.0780  7962.90    404.090  7806.37    469.567  8409.73    793.339  119.995 3.6130  124.433 5.8864  -4.437553      6.906783  
1 1 1 -15 20  13 o 221.469 4.2192  26605.35   1012.07  25965.66   1170.14  28504.88   2016.39  218.725 4.9393  228.736 8.1390  -10.01102      9.520520  
1 1 1 -15 20  14 o 226.055 4.2099  27723.00   1030.76  28171.34   1193.71  26408.80   2043.72  227.811 4.8379  220.017 8.5762  7.793503       9.846619  
1 1 1 -15 20  15 o 261.805 4.7263  37211.08   1340.21  38216.07   1551.65  34259.01   2659.35  265.216 5.4016  250.181 9.8141  15.03514       11.20244  
1 1 1 -15 20  16 o 185.092 3.7945  18587.41   760.698  18655.15   884.973  18395.73   1488.60  185.370 4.4078  183.647 7.4838  1.722534       8.685397  
1 1 1 -15 20  17 o 154.749 3.4925  12992.64   585.374  12602.03   680.913  14099.00   1145.96  152.349 4.1265  160.824 6.5788  -8.475296      7.765881  
1 1 1 -15 20  18 o 101.312 4.3014  5577.93    471.996  0.0000     0.0000   5577.93    471.996  ?       ?       101.312 4.3014  0.000000       4.301381  
1 1 1 -15 20  19 o 70.808  4.3602  2737.99    332.765  0.0000     0.0000   2737.99    332.765  ?       ?       70.808  4.3602  0.000000       4.360151  
1 1 1 -15 20  20 o 96.776  4.1798  5099.69    438.114  0.0000     0.0000   5099.69    438.114  ?       ?       96.776  4.1798  0.000000       4.179758  
1 1 1 -15 20  21 o 67.659  4.9272  2516.08    358.591  0.0000     0.0000   2516.08    358.591  ?       ?       67.659  4.9272  0.000000       4.927159  
1 1 1 -15 20  22 o 43.326  6.6673  1060.95    302.844  0.0000     0.0000   1060.95    302.844  ?       ?       43.326  6.6673  0.000000       6.667346  
1 1 1 -15 20  23 o 108.587 3.8701  6440.35    455.166  5844.81    879.754  6658.04    531.887  101.731 8.0501  110.254 4.4540  -8.523178      9.200127  
1 1 1 -15 20  24 o 133.650 3.4225  9751.44    495.424  10346.83   732.086  9248.40    672.919  137.081 4.9308  129.660 4.7917  7.420975       6.875524  
1 1 1 -15 20  25 o 82.164  3.6278  3695.12    322.849  3251.71    517.099  3978.39    413.301  76.018  6.3381  84.897  4.5109  -8.878220      7.779498  
1 1 1 -15 20  26 o 61.817  4.3084  2116.94    286.658  1901.13    494.930  2225.87    351.644  56.890  8.2748  63.081  5.1929  -6.190384      9.769239  
1 1 1 -15 20  27 o 79.076  3.8107  3444.11    326.382  4379.22    550.180  2936.34    405.427  88.032  5.8028  72.321  5.2107  15.71094       7.798944  
1 1 1 -15 20  28 o 52.912  2.6055  1530.04    149.320  1492.96    166.074  1686.48    341.142  52.119  2.9541  54.272  5.8985  -2.153355      6.596870  
1 1 1 -15 20  29 o 30.847  1.8238  520.125    60.663   689.154    399.960  516.144    61.373   32.381  10.208  30.724  1.8530  1.656847       10.37523  
1 1 1 -15 20  30 o 41.869  1.9573  958.478    88.760   971.643    90.380   601.073    470.906  42.151  1.9796  29.351  10.985  12.80064       11.16227  
1 1 1 -15 20  31 o 15.194  7.3497  -424.9638  369.539  -424.9638  369.539  0.0000     0.0000   15.194  7.3497  ?       ?       0.000000       7.349732  
1 1 1 -15 20  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 21  1  o 94.373  2.8101  4825.39    287.233  5004.37    398.440  4631.74    414.449  96.088  3.8285  92.435  4.1397  3.653221       5.638606  
1 1 1 -15 21  2  o 188.068 3.6713  19169.40   747.825  18632.20   861.722  20808.18   1505.08  185.387 4.2916  195.732 7.0995  -10.34485      8.295826  
1 1 1 -15 21  3  o 257.847 4.6623  36051.10   1302.07  35576.09   1502.05  37487.23   2611.74  256.086 5.4154  262.452 9.1877  -6.365997      10.66493  
1 1 1 -15 21  4  o 299.953 5.3523  48808.07   1738.87  49818.77   2006.85  45763.59   3483.06  302.964 6.1158  289.630 11.103  13.33383       12.67612  
1 1 1 -15 21  5  o 244.560 4.4023  32428.74   1166.09  31560.17   1344.69  35062.43   2341.55  241.209 5.1470  253.880 8.5154  -12.67110      9.950055  
1 1 1 -15 21  6  o 201.855 3.8723  22086.97   846.601  21592.25   975.966  23590.88   1701.62  199.546 4.5157  208.333 7.5411  -8.786652      8.789735  
1 1 1 -15 21  7  o 80.004  2.8435  3468.18    246.397  3586.05    280.209  3066.28    517.419  81.347  3.1803  74.868  6.4436  6.478943       7.185695  
1 1 1 -15 21  8  o 243.811 4.4204  32235.54   1167.30  30807.80   1346.40  36556.77   2342.35  238.287 5.2168  259.188 8.3438  -20.90140      9.840465  
1 1 1 -15 21  9  o 114.078 3.4692  7053.88    428.648  7067.76    525.443  7026.24    741.149  114.166 4.2493  113.593 6.0457  0.5720749      7.389692  
1 1 1 -15 21  10 f 63.927  3.5724  2222.22    246.362  2233.56    299.718  2198.59    432.582  64.028  4.3476  63.298  6.3976  0.7303238      7.735039  
1 1 1 -15 21  11 o 202.666 3.9300  22271.17   862.659  21895.51   996.698  23392.87   1722.28  200.905 4.5804  207.345 7.6690  -6.440170      8.932764  
1 1 1 -15 21  12 o 128.644 3.1553  8969.95    439.641  8748.04    511.928  9593.53    858.139  127.022 3.7210  132.896 5.9618  -5.874008      7.027699  
1 1 1 -15 21  13 o 167.868 3.5441  15278.46   644.390  15175.54   749.253  15570.87   1262.97  167.267 4.1357  169.195 6.8918  -1.927933      8.037496  
1 1 1 -15 21  14 o 213.161 4.0915  24649.01   944.624  24976.67   1094.49  23692.31   1870.22  214.514 4.7107  208.432 8.2843  6.081635       9.530025  
1 1 1 -15 21  15 o 255.816 4.6662  35526.86   1292.90  36028.31   1496.06  34047.53   2569.60  257.513 5.3639  249.473 9.5098  8.040192       10.91821  
1 1 1 -15 21  16 o 127.650 3.2580  8836.71    450.444  8879.79    531.193  8726.44    849.860  127.927 3.8337  126.621 6.1969  1.306267       7.286880  
1 1 1 -15 21  17 o 111.753 3.1972  6774.08    386.992  6497.25    453.760  7512.61    741.156  109.408 3.8292  117.470 5.8252  -8.062393      6.971076  
1 1 1 -15 21  18 o 123.168 3.2490  8232.43    433.433  7805.56    638.594  8597.05    590.197  119.773 4.9226  125.766 4.3328  -5.992485      6.557808  
1 1 1 -15 21  19 o 30.798  5.8665  535.021    188.545  516.900    322.228  544.456    232.502  30.391  9.0867  30.908  7.0953  -0.5171814     11.52875  
1 1 1 -15 21  20 o 61.883  4.5134  2098.43    300.427  0.0000     0.0000   2098.43    300.427  ?       ?       61.883  4.5134  0.000000       4.513373  
1 1 1 -15 21  21 o 98.639  4.4547  5311.94    475.918  0.0000     0.0000   5311.94    475.918  ?       ?       98.639  4.4547  0.000000       4.454663  
1 1 1 -15 21  22 o 14.807  6.8492  -204.9016  259.031  0.0000     0.0000   -204.9016  259.031  ?       ?       14.807  6.8492  0.000000       6.849226  
1 1 1 -15 21  23 o 156.482 4.9441  13450.01   837.957  0.0000     0.0000   13450.01   837.957  ?       ?       156.482 4.9441  0.000000       4.944094  
1 1 1 -15 21  24 o 99.881  4.4932  5478.62    486.083  0.0000     0.0000   5478.62    486.083  ?       ?       99.881  4.4932  0.000000       4.493199  
1 1 1 -15 21  25 o 57.457  4.9986  1837.70    307.977  2041.54    750.274  1796.40    337.744  56.960  12.504  56.616  5.5803  0.3443108      13.69269  
1 1 1 -15 21  26 o 80.894  2.9258  3574.19    256.351  3794.13    331.163  3245.36    404.933  83.141  3.6775  76.344  4.9233  6.796471       6.145172  
1 1 1 -15 21  27 o 56.086  4.7087  1759.64    283.387  2250.01    503.403  1532.15    342.878  61.960  7.6647  51.680  6.2527  10.27994       9.891666  
1 1 1 -15 21  28 o 43.744  1.8631  1041.20    88.273   1071.63    92.069   694.894    310.634  44.372  1.9157  33.563  8.5278  10.80853       8.740308  
1 1 1 -15 21  29 o 19.408  7.9257  128.195    263.727  9.5158     480.733  179.289    315.429  22.352  9.9275  21.439  8.7012  0.9123230      13.20097  
1 1 1 -15 21  30 o 25.333  1.4178  350.427    38.747   349.379    38.893   488.844    446.911  25.294  1.4255  27.337  10.588  -2.043125      10.68307  
1 1 1 -15 21  31 o 39.647  9.7733  1122.02    417.007  1122.02    417.007  0.0000     0.0000   39.647  9.7733  ?       ?       0.000000       9.773306  
1 1 1 -15 21  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 22  1  f 563.035 9.4930  172594.59  5789.10  169404.20  6683.33  182181.30  11585.17 557.272 11.073  574.121 18.631  -16.84888      21.67275  
1 1 1 -15 22  2  o 473.243 8.0039  121746.50  4102.57  120582.90  4736.00  125244.40  8211.61  470.666 9.2903  477.344 15.883  -6.677979      18.40030  
1 1 1 -15 22  3  o 332.452 5.7506  59973.57   2070.68  58585.73   2389.52  64158.00   4149.17  328.465 6.7166  342.914 11.171  -14.44922      13.03505  
1 1 1 -15 22  4  o 346.383 6.4557  65142.26   2421.98  65981.07   2597.21  59547.39   6707.61  348.546 6.8798  327.479 18.993  21.06656       20.20021  
1 1 1 -15 22  5  o 241.591 4.3980  31646.94   1150.82  30887.72   1327.29  33946.15   2309.78  238.622 5.1355  249.791 8.5374  -11.16847      9.962960  
1 1 1 -15 22  6  o 156.486 3.2990  13270.93   559.153  13044.96   644.179  13961.47   1126.08  155.129 3.8339  160.343 6.4841  -5.213928      7.532745  
1 1 1 -15 22  7  o 242.779 4.3589  31960.97   1146.20  30516.35   1321.27  36354.55   2304.23  237.169 5.1436  258.504 8.2298  -21.33522      9.704904  
1 1 1 -15 22  8  o 324.315 5.6299  57088.43   1977.58  56192.14   2282.11  59790.62   3962.51  321.631 6.5510  330.844 11.058  -9.212494      12.85285  
1 1 1 -15 22  9  o 148.767 3.7720  11998.06   607.786  11469.13   742.011  13076.50   1059.52  145.409 4.7114  155.164 6.3045  -9.755081      7.870445  
1 1 1 -15 22  10 o 413.881 8.0895  93235.20   3626.32  90613.50   4440.13  98486.98   6284.30  407.461 10.061  423.393 13.704  -15.93216      17.00055  
1 1 1 -15 22  11 o 207.671 4.0551  23387.06   912.110  22214.50   1054.25  26877.15   1818.85  202.343 4.8105  222.261 7.5555  -19.91739      8.956903  
1 1 1 -15 22  12 o 166.131 3.5467  14962.77   638.188  14266.09   739.518  16995.30   1263.14  162.182 4.2100  176.821 6.5955  -14.63911      7.824594  
1 1 1 -15 22  13 o 186.284 3.8213  18818.60   771.011  17566.76   893.201  22478.11   1527.17  179.928 4.5833  203.274 6.9364  -23.34604      8.313890  
1 1 1 -15 22  14 f 110.113 3.0721  6572.69    366.383  6700.38    430.108  6234.95    699.470  111.158 3.5725  106.923 6.0648  4.234444       7.038787  
1 1 1 -15 22  15 o 216.570 4.2089  25451.78   987.268  24358.44   1143.45  28654.04   1956.91  211.781 4.9850  229.208 7.8826  -17.42773      9.326586  
1 1 1 -15 22  16 o 194.593 3.8540  20547.61   812.291  20795.57   942.114  19829.26   1603.52  195.699 4.4447  190.581 7.7683  5.118713       8.949959  
1 1 1 -15 22  17 o 42.275  4.7266  983.302    212.716  1065.03    268.388  845.226    348.840  43.854  5.7922  38.537  8.5782  5.317184       10.35064  
1 1 1 -15 22  18 o 23.094  7.6813  276.996    224.696  38.298     316.580  519.311    318.969  20.339  8.5284  30.484  9.0239  -10.14504      12.41632  
1 1 1 -15 22  19 o 87.787  3.1571  4184.31    300.188  4123.78    461.044  4228.85    395.510  86.854  4.9212  88.172  4.1415  -1.317833      6.431991  
1 1 1 -15 22  20 o 52.347  2.2031  1486.38    124.908  1531.08    141.234  1325.87    267.625  53.118  2.4549  49.007  5.1175  4.111382       5.675828  
1 1 1 -15 22  21 o 108.543 3.6302  6415.51    426.773  6113.47    735.985  6568.52    523.834  105.133 6.4952  109.686 4.4093  -4.552917      7.850443  
1 1 1 -15 22  22 o 146.721 4.7985  11792.39   762.559  0.0000     0.0000   11792.39   762.559  ?       ?       146.721 4.7985  0.000000       4.798549  
1 1 1 -15 22  23 o 28.449  8.5013  464.366    282.104  0.0000     0.0000   464.366    282.104  ?       ?       28.449  8.5013  0.000000       8.501312  
1 1 1 -15 22  24 o 52.102  2.5686  1476.94    144.950  0.0000     0.0000   1476.94    144.950  ?       ?       52.102  2.5686  0.000000       2.568587  
1 1 1 -15 22  25 o 89.958  4.5758  4470.46    444.366  0.0000     0.0000   4470.46    444.366  ?       ?       89.958  4.5758  0.000000       4.575805  
1 1 1 -15 22  26 o 59.600  2.5812  1936.69    166.628  0.0000     0.0000   1936.69    166.628  ?       ?       59.600  2.5812  0.000000       2.581235  
1 1 1 -15 22  27 o 77.947  4.4000  3377.02    369.946  3080.69    860.821  3444.15    409.711  69.211  11.913  78.509  4.8418  -9.298378      12.85942  
1 1 1 -15 22  28 o 35.614  6.9752  754.422    259.435  620.290    480.242  809.698    308.291  31.712  11.206  36.457  8.0249  -4.745485      13.78343  
1 1 1 -15 22  29 o 18.835  7.8220  100.845    262.633  -208.7114  476.079  236.263    314.881  20.071  9.2846  22.419  8.8277  -2.348242      12.81136  
1 1 1 -15 22  30 o 33.940  8.9382  779.362    333.116  658.080    473.362  898.351    468.865  30.160  11.064  34.658  11.066  -4.498585      15.64884  
1 1 1 -15 22  31 o 17.930  8.4993  -276.1051  442.233  -276.1051  442.233  0.0000     0.0000   17.930  8.4993  ?       ?       0.000000       8.499350  
1 1 1 -15 22  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 23  1  o 293.742 5.3700  46809.68   1708.48  48552.62   1971.42  41551.83   3424.06  299.087 6.0857  275.896 11.458  23.19064       12.97430  
1 1 1 -15 23  2  o 266.986 4.7302  38655.36   1367.85  37306.08   1577.54  42742.80   2745.70  262.218 5.5545  280.241 9.0459  -18.02338      10.61514  
1 1 1 -15 23  3  o 119.807 2.8960  7777.31    375.796  7826.11    430.863  7622.17    768.241  120.173 3.3103  118.353 6.0128  1.819511       6.863781  
1 1 1 -15 23  4  o 317.988 5.5995  54867.57   1928.54  55424.08   2225.63  53190.46   3863.64  319.496 6.4316  312.121 11.429  7.375702       13.11430  
1 1 1 -15 23  5  o 258.307 4.9998  36192.11   1398.82  36296.07   1509.58  35560.68   3720.36  258.645 5.3887  254.400 13.551  4.244980       14.58300  
1 1 1 -15 23  6  o 149.879 3.2627  12173.88   529.657  12507.53   610.146  11153.59   1066.95  151.904 3.7085  143.287 6.8749  8.616196       7.811367  
1 1 1 -15 23  7  o 50.437  3.1577  1383.99    171.633  1550.93    193.872  779.017    369.068  53.388  3.3700  37.095  9.2247  16.29362       9.821013  
1 1 1 -15 23  8  o 422.543 7.1212  97041.59   3259.09  96529.09   3762.25  98582.46   6523.49  421.165 8.2475  423.599 14.219  -2.433655      16.43742  
1 1 1 -15 23  9  o 447.183 8.7539  108916.10  4239.93  112034.30  5192.45  102676.80  7344.87  452.944 10.584  431.463 15.717  21.48151       18.94862  
1 1 1 -15 23  10 o 273.960 6.2846  40771.18   1864.81  40419.61   2078.71  42220.57   4220.63  272.669 7.0386  276.719 14.129  -4.050354      15.78531  
1 1 1 -15 23  11 o 207.256 4.0246  23293.50   903.441  22588.68   1043.29  25406.56   1806.44  204.045 4.7207  216.067 7.7191  -12.02167      9.048162  
1 1 1 -15 23  12 o 205.483 3.9978  22898.13   889.756  21803.35   1028.28  26160.17   1774.97  200.454 4.7362  219.250 7.4745  -18.79591      8.848681  
1 1 1 -15 23  13 o 233.165 4.3217  29494.73   1091.41  29475.76   1262.53  29550.82   2171.07  233.020 5.0024  232.771 8.6114  0.2489319      9.958941  
1 1 1 -15 23  14 o 133.071 3.2101  9600.25    462.667  9899.72    541.999  8795.95    888.242  135.106 3.7039  126.998 6.4791  8.108154       7.463025  
1 1 1 -15 23  15 o 53.872  3.9412  1582.96    228.372  1221.17    283.553  2250.91    385.281  47.060  5.6777  64.110  5.6049  -17.04992      7.978170  
1 1 1 -15 23  16 f 242.315 4.4942  31886.30   1179.52  32068.41   1364.68  31348.45   2345.27  242.894 5.1873  239.252 9.0504  3.641769       10.43159  
1 1 1 -15 23  17 o 106.681 3.1942  6173.77    369.084  6131.11    439.023  6276.60    681.584  106.273 3.8141  107.188 5.8935  -0.9146805     7.020035  
1 1 1 -15 23  18 o 76.479  3.3661  3175.07    278.831  3363.74    336.565  2762.20    497.869  78.583  3.9671  70.803  6.5670  7.779976       7.672249  
1 1 1 -15 23  19 o 150.915 3.4616  12373.42   565.814  13736.65   852.709  11301.02   756.300  158.745 4.9594  144.006 4.8489  14.73891       6.935967  
1 1 1 -15 23  20 o 149.143 3.4258  12094.66   553.394  12238.48   796.934  11960.73   769.044  149.709 4.9148  148.029 4.7966  1.679581       6.867499  
1 1 1 -15 23  21 o 44.575  4.6297  1097.27    220.262  1273.40    322.751  943.727    301.344  47.669  6.4140  40.758  7.0833  6.910549       9.555725  
1 1 1 -15 23  22 o 44.100  4.7265  1076.89    222.244  1090.98    324.606  1064.45    304.918  43.817  7.0814  43.370  6.7076  0.4464760      9.753901  
1 1 1 -15 23  23 o 29.759  1.7279  482.085    55.453   726.515    372.030  476.531    56.079   35.073  9.5404  29.584  1.7581  5.488928       9.701058  
1 1 1 -15 23  24 o 57.174  5.4592  1823.22    333.950  0.0000     0.0000   1823.22    333.950  ?       ?       57.174  5.4592  0.000000       5.459159  
1 1 1 -15 23  25 o 28.835  8.9083  485.139    306.287  0.0000     0.0000   485.139    306.287  ?       ?       28.835  8.9083  0.000000       8.908275  
1 1 1 -15 23  26 o 51.939  5.8934  1529.94    325.666  0.0000     0.0000   1529.94    325.666  ?       ?       51.939  5.8934  0.000000       5.893411  
1 1 1 -15 23  27 o 56.504  5.7240  1813.88    345.476  0.0000     0.0000   1813.88    345.476  ?       ?       56.504  5.7240  0.000000       5.724048  
1 1 1 -15 23  28 o 39.990  7.5937  961.403    316.878  0.0000     0.0000   961.403    316.878  ?       ?       39.990  7.5937  0.000000       7.593743  
1 1 1 -15 23  29 o 29.199  9.2733  549.509    329.569  0.0000     0.0000   549.509    329.569  ?       ?       29.199  9.2733  0.000000       9.273252  
1 1 1 -15 23  30 o 26.599  9.1654  470.136    320.092  155.923    453.219  782.856    452.141  22.621  9.8559  32.503  10.898  -9.882416      14.69345  
1 1 1 -15 23  31 o 21.520  9.4997  120.097    433.694  120.097    433.694  0.0000     0.0000   21.520  9.4997  ?       ?       0.000000       9.499712  
1 1 1 -15 23  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 24  1  o 314.113 5.9268  53550.39   2016.41  54160.13   2165.77  49581.53   5525.52  315.847 6.3309  299.393 17.111  16.45444       18.24434  
1 1 1 -15 24  2  o 146.055 3.1638  11559.65   500.486  11822.18   575.514  10745.09   1013.75  147.691 3.5978  140.665 6.6539  7.025925       7.564242  
1 1 1 -15 24  3  o 313.341 5.5570  53274.59   1885.95  52829.89   2176.14  54616.40   3780.08  311.926 6.4412  316.359 11.032  -4.432800      12.77464  
1 1 1 -15 24  4  o 292.639 5.1771  46456.99   1640.92  45903.53   1893.23  48128.24   3289.90  290.804 6.0108  297.117 10.223  -6.313629      11.85928  
1 1 1 -15 24  5  o 278.928 5.3234  42211.61   1608.25  42007.06   1731.99  43491.68   4332.68  278.209 5.7478  281.169 14.274  -2.960205      15.38780  
1 1 1 -15 24  6  o 386.369 6.4975  81072.72   2719.07  79023.34   3138.29  87243.16   5445.54  381.255 7.5999  399.248 12.593  -17.99268      14.70854  
1 1 1 -15 24  7  o 367.921 6.3215  73512.70   2519.08  74822.54   2907.96  69574.28   5042.44  371.024 7.2363  356.308 13.066  14.71588       14.93608  
1 1 1 -15 24  8  o 130.629 2.9875  9246.94    422.679  8429.99    484.090  11867.97   867.093  124.707 3.5840  147.879 5.4136  -23.17220      6.492465  
1 1 1 -15 24  9  o 227.028 4.9290  27963.76   1212.03  28469.71   1484.01  26950.15   2100.47  228.973 5.9839  222.442 8.7183  6.531128       10.57424  
1 1 1 -15 24  10 o 390.647 8.6290  83131.43   3651.02  82492.10   4032.13  86041.91   8603.10  388.878 9.5731  391.742 20.346  -2.864044      22.48576  
1 1 1 -15 24  11 o 127.045 3.1541  8748.15    434.008  8591.59    502.234  9209.82    862.449  125.884 3.6835  130.205 6.1155  -4.321190      7.139203  
1 1 1 -15 24  12 o 108.777 3.1197  6413.50    367.555  6090.57    435.936  7207.52    683.573  105.981 3.7977  115.210 5.4780  -9.229103      6.665682  
1 1 1 -15 24  13 o 115.507 3.0886  7232.11    386.400  7109.47    450.664  7572.50    750.807  114.504 3.6338  118.051 5.8720  -3.547440      6.905466  
1 1 1 -15 24  14 o 276.693 4.9458  41569.89   1482.20  41307.46   1713.61  42349.49   2953.50  275.693 5.7387  278.207 9.8016  -2.514771      11.35803  
1 1 1 -15 24  15 o 313.732 5.5016  53499.09   1869.46  53912.98   2160.75  52266.95   3728.12  314.755 6.3381  308.348 11.163  6.406830       12.83678  
1 1 1 -15 24  16 o 134.445 3.2563  9803.45    474.168  9890.39    554.331  9566.37    915.404  135.003 3.7910  132.528 6.3773  2.475815       7.418996  
1 1 1 -15 24  17 o 45.677  4.3375  1143.67    212.013  1224.24    270.201  1014.60    341.990  47.125  5.3907  42.425  7.7273  4.700890       9.421849  
1 1 1 -15 24  18 o 43.193  4.5913  1026.29    211.499  903.595    267.066  1232.69    346.376  40.194  6.3451  46.956  7.0266  -6.761944      9.467464  
1 1 1 -15 24  19 o 12.545  5.6983  -100.9828  168.575  41.409     297.627  -168.2389  204.548  19.768  8.2780  13.162  6.0876  6.606344       10.27540  
1 1 1 -15 24  20 o 42.326  2.2884  974.835    104.521  1060.27    340.736  965.961    109.816  43.219  7.5540  42.121  2.4172  1.098221       7.931283  
1 1 1 -15 24  21 o 29.590  6.5371  501.301    203.921  397.704    298.752  591.672    279.031  27.057  8.8504  31.991  8.0573  -4.934502      11.96868  
1 1 1 -15 24  22 o 85.272  3.2649  3959.45    301.545  3617.70    432.939  4281.45    420.241  81.076  4.9540  88.478  4.3852  -7.401848      6.616055  
1 1 1 -15 24  23 o 64.374  3.6527  2269.95    253.630  1890.94    366.890  2616.86    351.011  58.183  5.9037  68.879  4.7338  -10.69546      7.567207  
1 1 1 -15 24  24 o 98.215  3.3845  5267.37    360.033  5881.77    554.922  4820.74    473.130  103.297 4.9599  93.611  4.6664  9.685486       6.810019  
1 1 1 -15 24  25 o 33.961  7.6376  679.770    274.122  361.837    563.854  778.169    313.686  29.507  11.751  36.212  8.1897  -6.704479      14.32335  
1 1 1 -15 24  26 o 26.773  8.5759  415.907    281.401  0.0000     0.0000   415.907    281.401  ?       ?       26.773  8.5759  0.000000       8.575851  
1 1 1 -15 24  27 o 34.340  8.1732  715.273    299.600  0.0000     0.0000   715.273    299.600  ?       ?       34.340  8.1732  0.000000       8.173203  
1 1 1 -15 24  28 o 78.682  4.8981  3482.44    415.352  0.0000     0.0000   3482.44    415.352  ?       ?       78.682  4.8981  0.000000       4.898143  
1 1 1 -15 24  29 o 17.905  7.8256  9.0369     287.727  0.0000     0.0000   9.0369     287.727  ?       ?       17.905  7.8256  0.000000       7.825593  
1 1 1 -15 24  30 o 17.973  8.4435  -236.0305  418.793  0.0000     0.0000   -236.0305  418.793  ?       ?       17.973  8.4435  0.000000       8.443485  
1 1 1 -15 24  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 24  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 25  1  o 111.672 2.9449  6757.23    356.193  6996.19    407.330  5980.75    734.265  113.621 3.3099  104.747 6.5042  8.873917       7.297935  
1 1 1 -15 25  2  o 148.945 3.1425  12021.71   506.960  11547.11   582.295  13508.20   1030.52  145.958 3.6834  157.752 6.0313  -11.79361      7.067095  
1 1 1 -15 25  3  o 159.416 3.3312  13772.55   575.174  13777.08   661.936  13758.60   1162.11  159.424 3.8335  159.160 6.7413  0.2641144      7.755032  
1 1 1 -15 25  4  o 113.572 2.8500  6988.98    350.585  7062.29    401.738  6754.83    717.959  114.157 3.2492  111.394 5.9724  2.762726       6.799038  
1 1 1 -15 25  5  o 195.890 3.7965  20800.91   805.500  21217.40   928.585  19534.83   1619.01  197.813 4.3341  189.535 7.8866  8.278488       8.999073  
1 1 1 -15 25  6  o 148.949 3.2177  12023.31   519.109  11639.17   597.119  13212.10   1050.43  146.531 3.7624  155.988 6.2174  -9.456879      7.267119  
1 1 1 -15 25  7  o 62.949  2.8709  2147.20    195.741  2114.70    223.252  2255.21    407.022  62.377  3.3164  64.181  5.9220  -1.804283      6.787375  
1 1 1 -15 25  8  o 344.521 5.8620  64441.89   2187.41  63014.07   2524.34  68745.34   4382.47  340.527 6.8442  354.595 11.411  -14.06775      13.30602  
1 1 1 -15 25  9  o 194.405 4.4361  20497.79   934.068  19764.31   1143.07  21971.91   1620.48  190.815 5.5308  201.000 7.4435  -10.18451      9.273390  
1 1 1 -15 25  10 o 84.954  3.3657  3912.08    309.690  3736.18    391.115  4207.71    507.052  82.882  4.3723  87.883  5.3524  -5.001343      6.911292  
1 1 1 -15 25  11 o 46.967  2.1156  1195.08    107.624  1143.84    226.098  1210.09    122.378  45.683  4.6336  47.198  2.4019  -1.514568      5.219130  
1 1 1 -15 25  12 o 114.505 3.0950  7106.71    383.850  7063.27    449.512  7223.65    737.614  114.136 3.6362  115.158 5.9339  -1.022247      6.959422  
1 1 1 -15 25  13 o 241.313 4.5026  31599.28   1176.83  31207.33   1360.82  32761.82   2343.66  239.726 5.2410  245.009 8.8317  -5.283539      10.26969  
1 1 1 -15 25  14 o 131.267 3.3092  9342.66    470.492  9065.33    555.636  10045.30   884.428  129.270 3.9685  135.928 6.0074  -6.657227      7.199809  
1 1 1 -15 25  15 o 244.888 4.5924  32562.53   1218.10  31693.01   1409.23  35131.67   2422.35  241.477 5.3881  253.469 8.8235  -11.99301      10.33858  
1 1 1 -15 25  16 o 274.762 4.9682  41031.66   1478.52  41397.00   1709.32  39946.24   2946.30  275.821 5.7217  269.593 10.090  6.227844       11.59954  
1 1 1 -15 25  17 o 81.015  3.2030  3560.94    281.058  4094.11    342.199  2455.68    492.693  86.845  3.6380  66.704  6.9202  20.14078       7.818177  
1 1 1 -15 25  18 o 45.675  4.1973  1143.78    205.320  1012.49    258.742  1367.04    337.405  42.705  5.7392  49.607  6.4310  -6.901844      8.619559  
1 1 1 -15 25  19 o 72.997  3.2872  2894.69    259.897  2834.35    407.784  2935.96    337.274  71.868  5.2756  73.315  4.2658  -1.447464      6.784437  
1 1 1 -15 25  20 o 49.934  4.1137  1367.74    220.502  1630.65    350.142  1194.94    283.860  54.182  6.0708  46.344  5.7808  7.838184       8.382861  
1 1 1 -15 25  21 o 80.615  3.2687  3536.30    285.404  3737.01    410.589  3348.66    397.000  82.551  4.6105  78.108  4.7148  4.443443       6.594437  
1 1 1 -15 25  22 o 76.556  2.8089  3187.07    232.910  3096.66    420.274  3227.15    279.807  74.912  5.2122  76.968  3.3565  -2.055374      6.199437  
1 1 1 -15 25  23 o 61.251  3.7672  2057.63    248.710  2086.86    359.702  2030.86    344.265  61.263  5.4788  60.477  5.3094  0.7857056      7.629358  
1 1 1 -15 25  24 o 65.063  4.0720  2329.28    285.510  2998.55    483.359  1970.64    353.834  73.155  6.1576  59.405  5.5641  13.75038       8.299123  
1 1 1 -15 25  25 o 30.180  6.1415  526.698    193.928  528.590    439.401  526.240    216.115  30.687  10.729  30.006  6.8062  0.6814747      12.70592  
1 1 1 -15 25  26 o 66.426  3.3758  2424.23    242.076  3037.73    502.896  2239.21    276.178  73.083  6.4182  63.640  4.0275  9.442581       7.577210  
1 1 1 -15 25  27 o 50.439  5.0198  1433.32    270.595  1538.43    487.786  1386.59    325.226  50.081  9.3361  49.087  6.2596  0.9934616      11.24036  
1 1 1 -15 25  28 o 57.854  5.6700  1915.48    350.729  0.0000     0.0000   1915.48    350.729  ?       ?       57.854  5.6700  0.000000       5.670038  
1 1 1 -15 25  29 o 29.868  8.8260  578.535    305.356  0.0000     0.0000   578.535    305.356  ?       ?       29.868  8.8260  0.000000       8.825980  
1 1 1 -15 25  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 25  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 25  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 26  1  o 209.107 4.3183  23708.50   978.027  23405.28   1062.40  25393.38   2504.30  207.741 4.7217  215.736 10.718  -7.994995      11.71150  
1 1 1 -15 26  2  o 207.654 4.2524  23379.33   956.403  23312.10   1039.51  23750.08   2441.03  207.333 4.6290  208.343 10.855  -1.010529      11.80079  
1 1 1 -15 26  3  o 136.602 3.1664  10112.03   468.482  10444.27   524.144  8792.28    1044.65  138.818 3.4861  126.949 7.6329  11.86894       8.391322  
1 1 1 -15 26  4  o 228.008 4.4825  28191.56   1106.99  28186.84   1305.40  28203.65   2088.73  227.930 5.2878  227.669 8.4705  0.2614136      9.985498  
1 1 1 -15 26  5  o 188.083 3.6879  19175.11   751.280  18772.63   865.685  20403.15   1512.13  186.068 4.2955  193.762 7.2053  -7.693695      8.388543  
1 1 1 -15 26  6  o 141.772 3.1864  10892.55   489.280  11374.51   562.688  9398.48    990.719  144.861 3.5863  131.328 6.9902  13.53233       7.856467  
1 1 1 -15 26  7  f 257.463 4.7223  35955.36   1316.86  36491.43   1519.77  34340.34   2637.91  259.310 5.4111  250.969 9.7044  8.341599       11.11111  
1 1 1 -15 26  8  o 317.280 5.5650  54641.96   1912.40  54947.59   2206.95  53720.74   3831.55  318.047 6.4067  313.474 11.285  4.573456       12.97682  
1 1 1 -15 26  9  o 205.916 4.5741  22999.84   1020.16  21328.93   1247.96  26365.41   1771.15  198.196 5.8135  220.176 7.4270  -21.97939      9.431729  
1 1 1 -15 26  10 o 231.271 4.9938  29024.31   1250.89  28940.45   1531.49  29192.37   2168.11  230.819 6.1259  231.472 8.6479  -0.6533966     10.59782  
1 1 1 -15 26  11 o 32.197  2.2014  564.263    76.308   993.348    225.539  508.795    81.090   42.492  4.9959  30.544  2.4724  11.94878       5.574199  
1 1 1 -15 26  12 o 200.099 3.9288  21714.52   851.472  21643.59   985.054  21924.12   1693.39  199.723 4.5537  200.642 7.7923  -0.9195709     9.025261  
1 1 1 -15 26  13 o 87.803  3.1089  4179.15    295.654  4263.14    350.633  3972.54    549.954  88.664  3.6512  85.283  5.9918  3.381340       7.016644  
1 1 1 -15 26  14 o 23.614  6.9588  308.194    190.050  301.053    245.580  318.857    300.079  24.153  8.0302  25.525  8.8698  -1.371649      11.96484  
1 1 1 -15 26  15 o 132.993 3.2053  9591.20    461.703  9998.67    538.888  8466.50    895.294  135.761 3.6648  124.504 6.6633  11.25709       7.604644  
1 1 1 -15 26  16 o 55.624  2.3216  1676.92    139.868  1143.24    281.983  1851.06    161.080  45.457  5.8640  58.436  2.5450  -12.97822      6.392477  
1 1 1 -15 26  17 o 202.315 3.9770  22231.68   871.478  22103.21   1011.22  22602.54   1718.08  201.625 4.6305  203.148 7.8084  -1.523163      9.078143  
1 1 1 -15 26  18 o 82.064  3.1493  3655.60    279.920  3839.26    337.155  3248.16    502.185  84.062  3.7030  76.876  6.0808  7.185860       7.119608  
1 1 1 -15 26  19 o 116.889 3.6199  7428.39    458.285  7659.17    574.869  7025.98    759.106  118.568 4.4764  113.081 6.2218  5.486694       7.664791  
1 1 1 -15 26  20 o 41.699  4.9234  963.139    218.072  1006.71    322.994  926.636    295.622  42.109  7.3492  40.441  7.0026  1.667747       10.15122  
1 1 1 -15 26  21 o 62.526  3.6562  2137.34    246.525  2147.31    354.959  2128.05    342.645  62.350  5.3067  62.105  5.1400  0.2446861      7.387868  
1 1 1 -15 26  22 o 89.292  2.8698  4336.99    277.547  3681.43    449.958  4739.60    352.621  81.725  5.1090  93.246  3.4915  -11.52146      6.188032  
1 1 1 -15 26  23 o 84.147  3.3068  3861.78    301.379  4352.35    687.312  3745.01    335.336  87.875  7.2871  82.783  3.7400  5.092056       8.190766  
1 1 1 -15 26  24 o 15.168  6.5833  -20.9613   200.638  407.596    526.633  -93.7270   217.004  29.885  11.516  14.596  6.5628  15.28816       13.25455  
1 1 1 -15 26  25 o 18.997  7.3330  143.516    213.832  633.454    537.341  51.331     233.082  33.313  11.845  17.594  7.3429  15.71974       13.93653  
1 1 1 -15 26  26 o 23.961  7.4123  331.373    211.975  654.024    563.030  278.086    228.810  33.441  12.097  22.623  7.7515  10.81715       14.36776  
1 1 1 -15 26  27 o 30.546  6.7221  552.191    216.365  381.729    525.394  587.004    237.433  28.552  11.352  31.375  7.1466  -2.823517      13.41405  
1 1 1 -15 26  28 o 22.141  7.4147  279.521    209.312  505.841    458.624  219.977    235.241  29.327  10.868  20.950  7.7794  8.376495       13.36510  
1 1 1 -15 26  29 o 43.729  5.0418  1103.43    234.417  729.484    508.872  1204.15    264.108  32.220  11.520  45.462  5.4737  -13.24230      12.75389  
1 1 1 -15 26  30 o 42.795  6.7177  1127.96    301.118  733.609    522.024  1324.60    368.625  31.139  11.584  45.581  7.7438  -14.44212      13.93360  
1 1 1 -15 26  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 26  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 27  1  o 320.892 5.9765  55896.35   2077.18  55374.70   2460.63  57189.86   3874.75  319.234 7.1165  323.662 11.053  -4.427704      13.14590  
1 1 1 -15 27  2  o 252.669 4.5075  34619.93   1233.55  33647.43   1422.05  37576.03   2479.30  249.033 5.2721  262.754 8.7118  -13.72050      10.18291  
1 1 1 -15 27  3  o 149.249 3.2623  12071.67   527.360  12478.55   606.589  10812.18   1067.24  151.728 3.6911  141.070 6.9849  10.65822       7.900178  
1 1 1 -15 27  4  o 263.559 5.1161  37684.49   1460.46  37946.85   1574.87  36073.16   3902.92  264.439 5.4986  255.999 14.131  8.439880       15.16287  
1 1 1 -15 27  5  o 132.708 3.4956  9545.57    502.441  9796.71    611.734  9024.95    880.794  134.417 4.2018  128.916 6.3081  5.501633       7.579411  
1 1 1 -15 27  6  o 418.862 7.1169  95353.09   3228.72  94392.99   3726.84  98241.82   6464.55  416.489 8.2617  422.951 14.112  -6.461975      16.35218  
1 1 1 -15 27  7  o 345.931 6.4549  65003.33   2418.50  63867.29   2593.77  72567.05   6692.73  342.805 6.9858  362.234 17.059  -19.42871      18.43358  
1 1 1 -15 27  8  o 104.193 2.8947  5882.92    326.668  5800.77    372.985  6153.42    676.841  103.453 3.3287  106.293 5.9023  -2.840332      6.776289  
1 1 1 -15 27  9  o 109.313 3.5178  6477.48    416.498  5837.35    511.565  7736.08    717.317  103.737 4.5530  119.376 5.5479  -15.63846      7.176940  
1 1 1 -15 27  10 o 102.613 3.3646  5707.49    373.946  5062.68    453.753  7072.49    660.195  96.613  4.3363  114.145 5.3400  -17.53227      6.878895  
1 1 1 -15 27  11 o 174.289 3.6322  16469.45   685.665  15561.75   793.020  19157.68   1364.73  169.377 4.3227  187.714 6.7124  -18.33734      7.983899  
1 1 1 -15 27  12 o 64.804  3.5017  2283.54    244.868  2583.90    290.109  1539.43    456.625  68.915  3.9027  52.516  8.3040  16.39904       9.175392  
1 1 1 -15 27  13 o 99.534  3.0404  5370.31    327.774  5192.34    383.387  5853.75    631.891  97.851  3.6174  103.642 5.6504  -5.791069      6.709155  
1 1 1 -15 27  14 o 56.818  3.5749  1757.74    218.880  1773.86    262.556  1721.04    396.311  57.012  4.2832  55.839  6.6858  1.173717       7.940125  
1 1 1 -15 27  15 o 128.912 3.1909  9011.76    445.527  9294.20    512.876  8143.24    899.382  130.891 3.6177  122.061 6.8304  8.830307       7.729279  
1 1 1 -15 27  16 f 178.900 3.7093  17369.93   718.747  17298.42   835.466  17573.59   1409.87  178.462 4.3223  179.399 7.2559  -0.9366913     8.445677  
1 1 1 -15 27  17 o 37.039  4.9776  759.725    194.631  696.919    244.901  867.403    320.666  35.152  6.6764  39.111  7.8427  -3.959099      10.29965  
1 1 1 -15 27  18 o 51.390  3.8127  1443.12    210.701  1689.25    262.274  995.171    353.824  55.547  4.3953  41.848  8.0990  13.69925       9.214811  
1 1 1 -15 27  19 o 111.641 3.1210  6770.27    377.384  6862.93    445.257  6533.91    711.120  112.338 3.6594  109.058 6.0439  3.280029       7.065418  
1 1 1 -15 27  20 o 90.933  2.8331  4492.13    279.037  3772.91    450.154  4940.94    355.596  82.907  5.0369  95.296  3.4452  -12.38863      6.102390  
1 1 1 -15 27  21 o 121.284 3.1538  8003.36    414.288  8174.00    820.216  7944.91    480.020  121.593 6.2492  120.740 3.6706  0.8522339      7.247432  
1 1 1 -15 27  22 o 85.012  3.1425  3935.13    289.350  3907.32    567.405  3944.91    336.374  83.810  6.2967  85.037  3.6521  -1.227020      7.279158  
1 1 1 -15 27  23 o 106.457 3.0038  6173.98    346.352  6946.90    628.754  5837.27    414.991  112.276 5.1704  103.354 3.7071  8.921394       6.362086  
1 1 1 -15 27  24 o 42.163  5.0529  994.589    226.151  1444.25    561.084  907.368    247.112  48.656  10.916  40.018  5.8762  8.637669       12.39676  
1 1 1 -15 27  25 o 47.689  2.3624  1237.95    122.021  1879.22    587.145  1209.01    124.744  55.695  10.106  47.055  2.4561  8.639538       10.39970  
1 1 1 -15 27  26 o 66.592  2.6496  2419.95    191.106  2727.80    597.405  2384.86    201.705  68.086  8.2709  66.074  2.8185  2.011864       8.737905  
1 1 1 -15 27  27 o 21.955  1.8503  263.991    43.588   0.0000     0.0000   263.991    43.588   ?       ?       21.955  1.8503  0.000000       1.850297  
1 1 1 -15 27  28 o 21.664  7.4033  263.805    208.707  376.159    459.120  234.540    234.316  27.125  10.666  21.264  7.7870  5.860542       13.20625  
1 1 1 -15 27  29 o 35.935  6.2777  776.458    235.441  913.887    496.648  736.620    267.397  35.468  11.396  34.344  7.4063  1.124180       13.59158  
1 1 1 -15 27  30 o 25.021  9.1021  401.994    319.382  317.732    488.420  464.940    422.143  24.939  10.532  26.629  10.296  -1.690136      14.72895  
1 1 1 -15 27  31 o 29.005  10.680  637.930    441.663  0.0000     0.0000   637.930    441.663  ?       ?       29.005  10.680  0.000000       10.68043  
1 1 1 -15 27  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 28  1  o 184.457 3.6275  18442.20   724.723  18020.44   833.831  19744.87   1465.42  182.307 4.2228  190.622 7.0977  -8.315155      8.258938  
1 1 1 -15 28  2  o 191.364 3.6972  19849.97   766.298  19856.68   882.100  19829.33   1547.13  191.368 4.2558  190.993 7.4789  0.3743439      8.604989  
1 1 1 -15 28  3  o 152.122 3.2026  12540.82   527.674  12244.68   606.228  13466.55   1071.84  150.297 3.7241  157.481 6.2840  -7.183960      7.304581  
1 1 1 -15 28  4  o 397.842 6.8178  85990.88   2937.84  85871.23   3390.92  86351.05   5882.98  397.352 7.8790  396.756 13.690  0.5964050      15.79543  
1 1 1 -15 28  5  o 68.784  2.6971  2563.50    200.935  2549.24    227.787  2613.50    426.586  68.587  3.0663  69.152  5.7476  -0.5647278     6.514377  
1 1 1 -15 28  6  o 299.713 5.7118  48760.39   1854.17  48235.38   1993.62  52124.20   5046.32  298.036 6.1759  307.720 15.141  -9.684021      16.35193  
1 1 1 -15 28  7  o 142.214 3.2402  10961.36   499.098  10619.80   558.115  12324.96   1115.16  139.965 3.6816  150.600 6.8367  -10.63420      7.764908  
1 1 1 -15 28  8  o 175.108 3.4906  16621.08   662.037  15511.82   763.165  19994.31   1330.84  169.131 4.1661  191.846 6.4048  -22.71472      7.640488  
1 1 1 -15 28  9  o 196.841 4.4746  21016.71   953.987  20559.29   1167.10  21937.63   1656.01  194.605 5.5371  200.804 7.6141  -6.199493      9.414604  
1 1 1 -15 28  10 o 161.348 3.9775  14116.82   695.088  14343.90   848.614  13653.88   1211.65  162.590 4.8189  158.456 7.0599  4.133911       8.547710  
1 1 1 -15 28  11 o 115.468 3.0793  7226.52    385.109  7325.89    446.068  6935.65    763.166  116.243 3.5429  112.798 6.2714  3.445625       7.203014  
1 1 1 -15 28  12 o 377.500 6.4531  77486.39   2638.49  76634.41   3046.90  80040.79   5275.76  375.155 7.4985  381.442 12.770  -6.286835      14.80869  
1 1 1 -15 28  13 f 70.476  3.2720  2692.88    249.763  2636.71    297.962  2825.61    458.023  69.606  3.9687  71.856  5.9383  -2.250175      7.142402  
1 1 1 -15 28  14 o 139.685 3.3101  10580.46   500.803  10473.21   583.681  10879.71   975.016  138.942 3.8786  141.400 6.3664  -2.458313      7.454777  
1 1 1 -15 28  15 o 193.923 3.8906  20407.89   817.187  19731.54   946.059  22395.52   1621.82  190.607 4.5826  202.603 7.3907  -11.99652      8.696131  
1 1 1 -15 28  16 o 201.888 4.0767  22133.12   891.445  21090.28   1034.25  25146.56   1758.13  196.964 4.8481  214.483 7.5681  -17.51889      8.987776  
1 1 1 -15 28  17 o 59.853  3.6157  1952.25    233.292  2052.62    287.656  1759.38    398.768  61.293  4.3615  56.363  6.6610  4.930630       7.961847  
1 1 1 -15 28  18 o 97.331  2.7263  5140.06    287.401  5251.40    392.767  5011.73    421.664  98.302  3.6889  95.998  4.0554  2.304153       5.482202  
1 1 1 -15 28  19 o 88.017  3.1151  4208.67    296.968  4472.22    452.219  4008.85    393.772  90.442  4.6320  85.787  4.2379  4.655304       6.278144  
1 1 1 -15 28  20 o 79.714  3.1583  3455.05    272.679  3275.15    532.831  3518.88    317.389  76.864  6.4601  80.393  3.6450  -3.529236      7.417527  
1 1 1 -15 28  21 o 107.220 2.9747  6252.17    345.453  5468.93    628.606  6591.06    413.488  99.512  5.8580  110.004 3.4705  -10.49146      6.808868  
1 1 1 -15 28  22 o 90.626  3.1136  4472.11    305.622  4681.11    601.326  4399.32    354.875  91.832  6.0801  89.795  3.6488  2.037537       7.090945  
1 1 1 -15 28  23 o 88.791  3.3476  4301.40    321.940  4432.12    704.738  4266.93    361.910  88.580  7.4137  88.343  3.7823  0.2366257      8.322772  
1 1 1 -15 28  24 o 73.553  3.4994  2958.03    278.780  3385.98    644.225  2859.43    309.233  76.893  7.8452  72.112  3.9746  4.781204       8.794592  
1 1 1 -15 28  25 o 24.586  7.2727  350.429    207.240  -238.9846  491.699  477.752    228.530  21.056  9.6285  28.456  7.3597  -7.399906      12.11916  
1 1 1 -15 28  26 o 22.509  7.2906  286.206    202.948  -113.7244  443.638  392.050    228.229  20.976  9.4110  25.799  7.6323  -4.822691      12.11693  
1 1 1 -15 28  27 o 17.126  6.9500  85.149     201.225  -1.9431    442.738  107.824    225.906  22.050  9.6705  18.336  7.3909  3.713825       12.17145  
1 1 1 -15 28  28 o 23.066  7.3996  313.234    209.444  237.097    463.168  332.804    234.824  25.057  10.395  23.794  7.8496  1.262768       13.02603  
1 1 1 -15 28  29 o 22.537  7.5059  307.586    214.524  533.489    469.970  248.129    241.108  28.595  10.913  21.245  7.8784  7.349861       13.45953  
1 1 1 -15 28  30 o 20.533  1.7924  232.030    39.462   231.771    39.639   260.894    418.849  20.520  1.8017  23.411  9.8127  -2.891094      9.976787  
1 1 1 -15 28  31 o 32.570  2.0535  584.365    72.070   0.0000     0.0000   584.365    72.070   ?       ?       32.570  2.0535  0.000000       2.053499  
1 1 1 -15 28  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 29  1  o 189.077 3.6656  19378.42   750.667  19208.02   863.901  19903.63   1516.69  188.214 4.2378  191.357 7.3178  -3.143250      8.456316  
1 1 1 -15 29  2  o 137.630 3.1754  10265.22   473.349  10157.54   547.474  10584.05   942.080  136.889 3.6925  139.613 6.2301  -2.723373      7.242124  
1 1 1 -15 29  3  o 114.172 2.8495  7063.25    352.368  7035.31    403.060  7153.87    725.767  113.936 3.2662  114.649 5.8643  -0.7127151     6.712492  
1 1 1 -15 29  4  o 153.309 3.2204  12737.63   534.738  12183.76   614.513  14465.09   1085.26  149.918 3.7845  163.218 6.1389  -13.30042      7.211731  
1 1 1 -15 29  5  o 375.598 6.7656  76647.41   2752.33  73820.04   3264.80  83593.27   5117.15  368.328 8.1837  390.859 12.088  -22.53101      14.59733  
1 1 1 -15 29  6  o 337.586 6.3433  61898.87   2319.35  61510.27   2488.23  64473.71   6404.91  336.447 6.8282  340.879 17.406  -4.432068      18.69716  
1 1 1 -15 29  7  o 147.828 3.3690  11844.61   539.418  11377.46   601.079  13777.47   1222.66  144.865 3.8309  159.202 7.0907  -14.33662      8.059355  
1 1 1 -15 29  8  o 38.760  3.8692  822.652    160.263  903.138    183.173  559.915    330.950  40.590  4.2286  31.710  9.1369  8.879803       10.06800  
1 1 1 -15 29  9  o 112.697 3.0139  6883.11    367.891  7038.21    421.964  6391.61    751.153  113.948 3.4190  108.268 6.4345  5.679489       7.286453  
1 1 1 -15 29  10 o 331.886 6.6575  59875.62   2393.16  58617.86   2929.06  62401.24   4150.62  328.053 8.2435  337.608 11.351  -9.554138      14.02849  
1 1 1 -15 29  11 o 468.132 7.9170  119357.90  4014.19  119640.30  4634.91  118510.40  8029.83  468.243 9.1390  462.409 16.033  5.833221       18.45461  
1 1 1 -15 29  12 o 26.890  6.3587  408.974    182.287  558.395    213.933  12.989     348.264  31.472  6.4916  20.962  8.8753  10.50949       10.99597  
1 1 1 -15 29  13 o 104.100 3.1648  5875.05    356.831  5606.24    419.076  6583.72    680.452  101.666 3.8058  109.917 5.7355  -8.250175      6.883322  
1 1 1 -15 29  14 o 155.554 3.4094  13122.65   574.424  13372.77   668.186  12414.30   1124.47  156.993 3.9296  150.968 6.8769  6.024857       7.920477  
1 1 1 -15 29  15 o 182.476 3.7421  18068.06   739.581  18395.38   858.306  17124.33   1457.42  184.062 4.3053  177.100 7.5979  6.962479       8.732956  
1 1 1 -15 29  16 o 52.995  3.9992  1533.69    227.859  1568.10    285.237  1473.00    378.792  53.468  4.9828  51.483  6.9725  1.985291       8.569944  
1 1 1 -15 29  17 o 52.970  3.3322  1529.10    190.204  1496.26    261.812  1565.80    276.789  52.235  4.6771  53.422  4.8361  -1.186916      6.727789  
1 1 1 -15 29  18 o 25.054  6.5337  356.446    179.139  17.732     277.341  598.921    234.656  18.746  7.9277  32.452  6.8892  -13.70513      10.50283  
1 1 1 -15 29  19 o 81.346  3.1858  3595.79    280.684  3370.84    442.210  3747.57    363.234  78.362  5.2404  82.958  4.0426  -4.596336      6.618455  
1 1 1 -15 29  20 o 86.769  3.1132  4093.71    292.575  4045.82    571.432  4110.72    340.606  85.537  6.2103  86.888  3.6193  -1.351028      7.187940  
1 1 1 -15 29  21 o 53.767  3.7849  1584.14    219.010  1762.54    422.687  1518.67    256.064  55.941  7.1390  52.500  4.5481  3.440094       8.464666  
1 1 1 -15 29  22 o 87.675  3.1943  4187.40    303.331  5058.46    585.180  3867.36    354.705  95.601  5.6769  84.138  3.8923  11.46284       6.883088  
1 1 1 -15 29  23 o 54.663  2.0374  1622.75    120.625  1773.94    137.604  1120.97    250.677  57.138  2.2235  44.787  5.2683  12.35055       5.718301  
1 1 1 -15 29  24 o 17.466  6.9197  100.336    194.588  8.1800     415.978  126.151    220.162  22.049  9.5246  18.814  7.3900  3.235149       12.05527  
1 1 1 -15 29  25 o 19.943  7.2181  194.550    200.484  -146.4652  427.359  290.777    227.014  20.368  9.1790  23.015  7.7218  -2.646177      11.99507  
1 1 1 -15 29  26 o 62.529  3.7549  2158.69    253.125  2553.89    538.152  2046.41    286.835  66.156  7.6517  60.661  4.3955  5.494976       8.824319  
1 1 1 -15 29  27 o 74.517  3.4823  3054.55    281.055  2626.74    591.775  3179.16    319.373  66.263  8.4369  75.776  3.9046  -9.513344      9.296572  
1 1 1 -15 29  28 o 26.786  7.1582  436.910    211.646  633.576    464.214  385.302    237.799  31.366  11.024  25.220  7.8589  6.145653       13.53891  
1 1 1 -15 29  29 o 26.562  1.9930  387.785    56.919   378.889    58.518   543.921    245.153  26.237  2.0762  29.189  7.6586  -2.951273      7.934996  
1 1 1 -15 29  30 o 21.807  8.7460  243.544    314.625  527.759    475.118  21.574     419.879  27.751  10.869  20.418  9.1585  7.333326       14.21340  
1 1 1 -15 29  31 o 23.669  9.9291  311.383    429.413  0.0000     0.0000   311.383    429.413  ?       ?       23.669  9.9291  0.000000       9.929074  
1 1 1 -15 29  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 30  1  o 185.626 3.9417  18680.56   792.498  19313.87   929.286  16991.75   1517.52  188.712 4.5465  176.745 7.9272  11.96793       9.138415  
1 1 1 -15 30  2  o 399.382 6.9514  86672.55   3006.98  86898.85   3470.45  85990.95   6022.88  399.681 8.0168  395.758 14.051  3.923096       16.17706  
1 1 1 -15 30  3  o 358.635 6.1886  69841.40   2403.89  68346.24   2773.98  74350.14   4817.13  354.604 7.2225  368.649 12.064  -14.04498      14.06110  
1 1 1 -15 30  4  o 105.405 2.8642  6020.21    326.989  6315.64    373.829  5057.95    674.678  107.952 3.1972  96.279  6.5080  11.67262       7.250989  
1 1 1 -15 30  5  o 268.705 5.1281  39175.73   1492.45  40078.23   1609.10  33619.37   3992.60  271.747 5.4670  246.719 15.012  25.02809       15.97696  
1 1 1 -15 30  6  o 335.911 5.7772  61257.36   2101.91  61035.07   2425.61  61927.46   4211.47  335.162 6.6819  336.503 11.555  -1.341736      13.34794  
1 1 1 -15 30  7  o 87.148  2.6126  4115.12    246.600  3965.89    304.171  4401.32    421.233  85.540  3.2830  90.087  4.3171  -4.546677      5.423606  
1 1 1 -15 30  8  o 324.125 5.6276  57035.85   1975.63  56601.63   2280.15  58343.59   3957.08  322.750 6.5227  326.621 11.186  -3.870514      12.94849  
1 1 1 -15 30  9  o 288.781 5.0837  45258.01   1590.08  43405.14   1834.35  50858.58   3189.15  282.692 5.9910  305.292 9.6447  -22.60007      11.35396  
1 1 1 -15 30  10 o 151.504 3.8491  12446.45   631.613  12533.09   770.101  12268.40   1103.98  151.984 4.6782  150.213 6.7856  1.770706       8.241944  
1 1 1 -15 30  11 o 182.745 3.7207  18109.00   736.450  18069.49   850.865  18227.00   1470.39  182.506 4.3044  182.988 7.4189  -0.4818420     8.577190  
1 1 1 -15 30  12 o 191.296 3.8465  19847.52   796.966  19403.59   921.493  21165.14   1587.56  189.092 4.4994  197.136 7.4352  -8.044724      8.690592  
1 1 1 -15 30  13 o 237.090 4.4255  30507.46   1136.43  30310.80   1313.40  31093.30   2266.84  236.237 5.1331  238.603 8.7715  -2.366379      10.16308  
1 1 1 -15 30  14 o 143.403 3.3282  11152.37   516.935  10904.16   601.606  11852.69   1010.54  141.760 3.9182  147.567 6.3226  -5.806900      7.438243  
1 1 1 -15 30  15 o 132.043 3.3001  9457.38    471.965  9395.11    553.244  9623.85    904.548  131.568 3.8824  132.921 6.2830  -1.353500      7.385738  
1 1 1 -15 30  16 o 100.110 2.7335  5434.73    296.392  5476.23    391.693  5379.14    453.360  100.443 3.6004  99.507  4.2065  0.9362869      5.536955  
1 1 1 -15 30  17 o 176.665 3.6604  16953.01   700.416  15533.68   993.818  18353.74   987.288  168.804 5.4357  183.588 4.9651  -14.78429      7.362009  
1 1 1 -15 30  18 o 65.239  2.4641  2308.80    174.110  2293.59    211.064  2341.19    308.020  64.997  2.9981  65.432  4.3715  -0.4347763     5.300814  
1 1 1 -15 30  19 o 45.802  4.0568  1151.46    199.170  1445.46    323.688  972.324    252.664  51.009  5.9718  41.755  5.7386  9.254673       8.282143  
1 1 1 -15 30  20 o 122.259 3.1140  8128.28    412.357  8709.98    824.940  7934.52    476.105  125.839 6.0525  120.702 3.6418  5.137566       7.063697  
1 1 1 -15 30  21 o 184.306 3.7580  18525.09   750.173  18513.26   1494.76  18529.07   867.307  182.313 7.5698  184.108 4.3494  -1.795074      8.730370  
1 1 1 -15 30  22 o 137.652 3.2883  10327.40   490.254  10394.36   974.798  10304.73   567.209  136.789 6.5795  137.349 3.8128  -0.5601959     7.604441  
1 1 1 -15 30  23 o 88.748  3.2592  4296.69    313.289  4136.49    633.539  4348.54    360.444  85.757  6.8787  89.181  3.7316  -3.423981      7.825680  
1 1 1 -15 30  24 o 29.030  6.8746  492.051    212.819  440.211    433.507  508.513    244.283  29.086  10.601  29.407  7.6109  -0.3204556     13.05000  
1 1 1 -15 30  25 o 67.931  3.6817  2539.25    269.871  2889.29    546.538  2426.39    310.345  70.951  7.2122  66.190  4.3532  4.760971       8.424164  
1 1 1 -15 30  26 o 23.666  7.3089  324.593    206.197  689.200    443.754  224.191    232.864  33.377  10.777  21.244  7.7654  12.13275       13.28365  
1 1 1 -15 30  27 o 43.172  4.9137  1053.90    225.671  1448.75    485.559  945.107    254.871  48.200  9.6377  40.440  6.0009  7.760372       11.35322  
1 1 1 -15 30  28 f 35.820  1.3167  696.966    51.085   717.832    52.292   260.661    239.114  36.351  1.3282  21.863  7.8876  14.48787       7.998617  
1 1 1 -15 30  29 o 21.663  8.0349  265.048    250.806  72.923     469.368  341.828    296.719  22.127  9.8195  23.841  8.7579  -1.713943      13.15765  
1 1 1 -15 30  30 o 15.812  7.3506  -160.1449  303.966  -105.2970  461.288  -202.2382  404.109  19.869  9.1730  17.856  8.3581  2.013592       12.40971  
1 1 1 -15 30  31 o 19.698  8.9632  -2.7767    419.481  0.0000     0.0000   -2.7767    419.481  ?       ?       19.698  8.9632  0.000000       8.963195  
1 1 1 -15 30  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 31  1  o 150.495 3.2475  12274.76   529.354  12122.28   607.421  12756.21   1079.36  149.539 3.7503  153.246 6.5029  -3.706680      7.506806  
1 1 1 -15 31  2  o 291.790 5.7068  46215.07   1803.58  46700.20   1939.40  43110.89   4905.86  293.268 6.1056  279.073 16.301  14.19473       17.40711  
1 1 1 -15 31  3  o 184.755 3.6793  18503.40   736.267  18324.68   847.500  19053.32   1486.66  183.830 4.2565  187.212 7.3318  -3.381210      8.477791  
1 1 1 -15 31  4  o 299.705 5.6744  48757.11   1841.97  49215.74   1980.39  45816.02   5015.06  301.060 6.0733  287.732 16.158  13.32889       17.26143  
1 1 1 -15 31  5  o 114.055 2.9375  7049.22    362.878  7310.76    416.007  6216.99    742.094  116.141 3.3071  106.789 6.4462  9.352562       7.245012  
1 1 1 -15 31  6  o 196.297 3.7125  20888.95   789.323  19947.30   908.998  23775.44   1591.49  191.783 4.3761  209.141 7.0258  -17.35844      8.277172  
1 1 1 -15 31  7  o 359.385 6.0955  70146.77   2372.70  67793.91   2738.29  77235.69   4753.03  353.114 7.1597  375.670 11.681  -22.55582      13.70094  
1 1 1 -15 31  8  o 192.670 3.7940  20126.50   791.728  20114.67   913.655  20162.13   1586.34  192.576 4.3804  192.506 7.6082  0.7058716E-01  8.779101  
1 1 1 -15 31  9  o 144.299 3.2115  11286.02   501.926  10723.44   576.544  13047.22   1020.10  140.633 3.7851  154.978 6.0772  -14.34505      7.159548  
1 1 1 -15 31  10 o 203.353 4.4868  22434.51   988.224  21325.57   1206.50  24695.15   1722.61  198.163 5.6213  213.016 7.4663  -14.85390      9.345821  
1 1 1 -15 31  11 o 161.098 3.4832  14070.96   607.767  13554.02   702.401  15611.04   1212.37  158.075 4.1025  169.429 6.6066  -11.35414      7.776732  
1 1 1 -15 31  12 o 146.936 3.3466  11705.74   532.605  11665.88   615.918  11823.90   1060.48  146.656 3.8775  147.424 6.6415  -0.7678070     7.690516  
1 1 1 -15 31  13 o 18.471  1.4038  185.868    27.873   161.348    198.156  186.363    28.153   19.413  7.1531  18.494  1.4162  0.9182873      7.291976  
1 1 1 -15 31  14 o 116.564 3.1504  7367.68    397.746  7414.27    465.424  7241.50    765.914  116.904 3.6758  115.188 6.1614  1.716042       7.174541  
1 1 1 -15 31  15 o 178.861 3.3396  17354.65   646.960  16552.44   840.778  18519.10   1012.97  174.562 4.4469  184.558 5.0675  -9.995453      6.742043  
1 1 1 -15 31  16 o 193.262 3.8388  20282.95   803.554  19971.60   1139.17  20591.29   1133.64  191.497 5.4923  194.467 5.3822  -2.970001      7.689862  
1 1 1 -15 31  17 o 97.377  3.0144  5146.09    317.924  4855.95    457.548  5416.95    442.077  94.471  4.4716  99.817  4.0890  -5.346199      6.059359  
1 1 1 -15 31  18 f 95.270  3.0385  4928.64    313.537  4634.01    445.718  5217.25    441.134  92.234  4.4617  97.904  4.1601  -5.669518      6.100236  
1 1 1 -15 31  19 o 110.427 3.1724  6628.17    379.434  6557.42    550.198  6692.33    523.963  109.607 4.6346  110.778 4.3670  -1.170456      6.367859  
1 1 1 -15 31  20 o 88.979  3.2258  4307.25    310.878  4300.13    457.201  4313.37    423.973  88.538  4.7854  88.867  4.4048  -0.3290176     6.504062  
1 1 1 -15 31  21 f 83.659  3.1568  3809.47    286.044  4723.56    564.796  3494.13    331.735  92.474  5.6663  80.026  3.8273  12.44747       6.837770  
1 1 1 -15 31  22 o 143.208 3.3353  11182.25   517.342  10270.25   1030.39  11489.64   598.209  135.497 7.0454  145.014 3.8087  -9.516800      8.008935  
1 1 1 -15 31  23 o 80.269  3.2600  3515.51    283.422  4465.37    588.427  3228.58    323.410  89.441  6.1107  76.704  3.9058  12.73712       7.252316  
1 1 1 -15 31  24 o 44.686  2.4731  1090.23    119.230  992.482    134.601  1446.38    256.926  42.556  2.9382  51.003  4.7039  -8.447056      5.546176  
1 1 1 -15 31  25 o 32.577  0.9489  575.237    33.480   694.564    48.273   464.643    46.474   35.785  1.2455  29.223  1.4730  6.562094       1.928997  
1 1 1 -15 31  26 o 74.542  3.3122  3047.76    267.416  3122.67    495.312  3016.94    317.697  74.044  6.2341  73.854  3.9864  0.1907196      7.399720  
1 1 1 -15 31  27 o 17.589  7.0249  106.565    202.057  133.433    441.454  99.444     227.259  23.603  9.9928  18.145  7.3776  5.457670       12.42118  
1 1 1 -15 31  28 o 57.837  2.7482  1836.81    172.157  2887.13    544.948  1720.36    181.449  69.350  7.3679  55.819  3.0124  13.53034       7.959918  
1 1 1 -15 31  29 o 22.824  8.1428  313.409    254.133  355.538    472.227  296.233    301.518  25.606  10.548  22.888  8.7395  2.717405       13.69831  
1 1 1 -15 31  30 o 54.262  6.4807  1799.29    373.344  2175.42    565.838  1509.30    496.841  56.173  9.6478  45.914  10.250  10.25933       14.07656  
1 1 1 -15 31  31 o 41.892  12.029  1475.91    574.517  0.0000     0.0000   1475.91    574.517  ?       ?       41.892  12.029  0.000000       12.02914  
1 1 1 -15 31  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 32  1  o 121.039 2.9492  7939.03    386.636  7848.41    441.695  8236.05    799.664  120.335 3.3889  123.162 5.9946  -2.827072      6.886243  
1 1 1 -15 32  2  o 401.589 7.3379  87677.96   3191.72  86641.41   3787.42  90217.84   5928.64  398.878 8.7666  405.494 13.499  -6.616608      16.09582  
1 1 1 -15 32  3  f 337.801 5.9186  61953.25   2165.46  62198.71   2498.71  61212.73   4340.06  338.329 6.8188  334.465 11.981  3.864197       13.78507  
1 1 1 -15 32  4  o 284.659 5.2751  43971.98   1626.38  41862.07   1923.21  49269.04   3047.27  277.613 6.3961  300.662 9.3576  -23.04846      11.33464  
1 1 1 -15 32  5  o 276.518 4.9287  41483.39   1476.14  41453.73   1702.77  41573.10   2961.32  276.336 5.6892  276.059 9.9041  0.2774353      11.42180  
1 1 1 -15 32  6  o 225.186 4.2132  27498.62   1027.61  27463.59   1184.97  27604.84   2063.61  224.992 4.8626  225.158 8.4620  -0.1661987     9.759620  
1 1 1 -15 32  7  o 72.615  2.9141  2857.46    229.196  2920.00    261.836  2652.50    474.026  73.398  3.2936  69.587  6.3596  3.811035       7.161870  
1 1 1 -15 32  8  o 142.728 3.3307  11041.98   514.895  10828.20   575.671  11897.14   1151.34  141.322 3.7609  147.909 7.1868  -6.587006      8.111432  
1 1 1 -15 32  9  o 68.918  3.0619  2574.24    228.555  2807.48    258.918  1751.05    486.417  71.967  3.3217  56.112  8.2498  15.85513       8.893456  
1 1 1 -15 32  10 o 274.739 5.7043  40998.57   1697.42  40905.93   2076.97  41184.91   2945.55  274.224 6.9928  274.544 9.9057  -0.3200378     12.12527  
1 1 1 -15 32  11 o 118.948 3.1253  7669.68    402.645  7576.97    464.290  7950.93    808.669  118.207 3.6264  120.781 6.2026  -2.573265      7.184873  
1 1 1 -15 32  12 o 118.619 3.1182  7627.72    400.621  7615.49    463.573  7663.81    796.238  118.503 3.6118  118.557 6.2225  -0.5347443E-01 7.194775  
1 1 1 -15 32  13 o 67.508  3.3371  2471.29    244.001  2304.12    284.443  2936.97    474.756  65.038  4.0582  73.238  6.0389  -8.199608      7.275760  
1 1 1 -15 32  14 o 100.363 3.1025  5462.07    337.249  5620.49    395.154  5037.22    647.118  101.786 3.5843  95.988  6.2587  5.798302       7.212364  
1 1 1 -15 32  15 o 100.279 3.0131  5453.80    327.263  5058.64    467.922  5832.18    457.882  96.493  4.4772  103.636 4.0792  -7.143661      6.056813  
1 1 1 -15 32  16 o 88.331  3.0200  4232.99    288.931  4196.65    416.633  4266.66    401.035  87.864  4.3780  88.608  4.1787  -0.7448273     6.052109  
1 1 1 -15 32  17 o 66.663  3.1969  2412.71    230.829  2182.28    336.843  2616.72    316.947  63.097  4.9691  69.230  4.2474  -6.133347      6.537045  
1 1 1 -15 32  18 o 47.914  3.8766  1257.10    199.455  1496.38    289.324  1040.38    275.341  52.097  5.1968  43.181  6.0535  8.915375       7.978226  
1 1 1 -15 32  19 o 84.912  2.8598  3916.76    263.008  3625.99    439.380  4079.13    328.327  81.287  5.0150  86.587  3.5009  -5.299644      6.116155  
1 1 1 -15 32  20 o 52.365  4.0983  1505.20    230.585  1348.97    347.107  1628.61    308.490  48.984  6.7196  54.242  5.3193  -5.258701      8.570168  
1 1 1 -15 32  21 o 39.715  4.4179  873.234    186.816  1040.85    392.947  824.285    212.349  42.251  8.8692  38.398  5.2429  3.853024       10.30294  
1 1 1 -15 32  22 o 73.646  3.2738  2956.96    261.140  2516.74    516.736  3107.95    302.628  66.720  7.2682  75.432  3.7041  -8.712311      8.157670  
1 1 1 -15 32  23 o 122.141 3.2022  8138.85    423.624  8477.31    859.789  8030.35    486.815  123.116 6.4705  121.172 3.7093  1.943153       7.458256  
1 1 1 -15 32  24 o 91.019  3.2242  4526.39    317.851  4351.60    649.737  4581.38    364.437  87.631  6.9014  91.448  3.6794  -3.816414      7.820956  
1 1 1 -15 32  25 o 36.676  5.5435  766.177    213.338  597.310    451.390  814.747    242.082  31.863  10.888  37.641  6.1503  -5.778894      12.50459  
1 1 1 -15 32  26 o 65.211  3.6819  2346.96    258.993  3379.09    544.550  2045.24    294.425  76.790  6.6118  60.570  4.5205  16.22020       8.009400  
1 1 1 -15 32  27 o 54.643  4.1224  1664.69    242.182  1178.76    515.045  1802.62    274.412  42.308  11.101  56.719  4.5039  -14.41089      11.97956  
1 1 1 -15 32  28 o 40.651  5.2907  955.962    227.426  1201.54    490.713  888.784    256.654  41.917  10.755  38.649  6.3517  3.267166       12.49090  
1 1 1 -15 32  29 o 30.787  7.8812  614.335    263.922  629.704    502.967  608.495    310.034  29.785  11.308  30.070  8.8955  -0.2849236     14.38742  
1 1 1 -15 32  30 o 18.763  8.2375  49.600     321.977  7.1525     510.006  77.729     415.173  21.617  9.8544  20.860  9.2471  0.7575302      13.51368  
1 1 1 -15 32  31 o 41.864  10.683  1350.66    486.021  0.0000     0.0000   1350.66    486.021  ?       ?       41.864  10.683  0.000000       10.68327  
1 1 1 -15 32  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 33  1  o 244.490 4.4131  32417.80   1168.62  31129.87   1346.44  36350.70   2352.86  239.519 5.1901  258.412 8.4065  -18.89331      9.879582  
1 1 1 -15 33  2  o 307.115 5.4380  51189.68   1808.88  50411.96   2086.37  53543.98   3630.04  304.657 6.3228  313.125 10.703  -8.468384      12.43147  
1 1 1 -15 33  3  o 175.331 3.4266  16662.19   650.720  16008.76   748.026  18695.06   1319.39  171.830 4.0193  185.504 6.5667  -13.67363      7.699120  
1 1 1 -15 33  4  o 299.014 5.2212  48518.57   1690.95  47847.53   1950.51  50548.62   3392.55  296.834 6.0669  304.314 10.293  -7.480499      11.94775  
1 1 1 -15 33  5  o 284.270 5.8980  43878.10   1815.97  45007.61   2221.80  41605.03   3151.86  287.731 7.1293  276.011 10.543  11.71927       12.72733  
1 1 1 -15 33  6  o 91.784  2.8273  4565.00    281.065  4934.76    321.931  3379.64    576.407  95.422  3.1149  78.560  6.8425  16.86185       7.518124  
1 1 1 -15 33  7  o 134.107 3.1394  9747.28    456.005  9922.12    524.815  9208.60    921.198  135.288 3.5816  130.012 6.5630  5.275818       7.476700  
1 1 1 -15 33  8  o 134.481 3.1968  9802.40    465.640  9881.98    525.262  9510.34    1006.25  135.011 3.5920  132.060 7.0606  2.951462       7.921781  
1 1 1 -15 33  9  o 223.913 4.2182  27194.19   1023.01  27629.67   1180.76  25883.16   2048.73  225.644 4.8313  217.902 8.6807  7.742691       9.934589  
1 1 1 -15 33  10 o 306.885 6.2204  51187.71   2067.59  49820.09   2530.00  53937.75   3587.64  302.462 7.7229  313.958 10.550  -11.49582      13.07490  
1 1 1 -15 33  11 f 91.419  3.0435  4530.20    301.358  4342.34    346.642  5111.59    609.820  89.487  3.5764  96.811  5.8431  -7.324280      6.850761  
1 1 1 -15 33  12 f 259.901 4.7526  36671.07   1337.85  35453.46   1544.51  40329.65   2677.29  255.431 5.5827  271.671 9.0988  -16.24008      10.67494  
1 1 1 -15 33  13 o 105.622 3.1556  6049.09    361.006  6113.00    421.111  5871.90    701.167  106.156 3.6625  103.688 6.2729  2.468048       7.263864  
1 1 1 -15 33  14 o 167.819 3.1662  15273.60   575.498  15234.73   743.008  15331.88   909.860  167.525 4.0949  167.960 5.0015  -0.4351807     6.463967  
1 1 1 -15 33  15 o 56.596  3.4160  1744.40    208.420  2051.41    304.223  1472.86    286.111  61.264  4.6187  51.779  5.1708  9.484653       6.933218  
1 1 1 -15 33  16 o 184.722 3.7337  18532.97   747.009  18325.42   1063.44  18735.13   1049.56  183.403 5.3535  185.469 5.2248  -2.065140      7.480485  
1 1 1 -15 33  17 o 99.153  2.8634  5335.38    307.509  5771.12    471.861  5013.70    405.427  102.994 4.2299  96.031  3.8979  6.963089       5.752024  
1 1 1 -15 33  18 o 191.248 3.8108  19900.38   789.380  21153.44   1135.91  18730.04   1097.77  196.739 5.3307  185.080 5.4762  11.65866       7.642334  
1 1 1 -15 33  19 f 73.167  3.4042  2912.39    269.770  2758.58    399.310  3041.54    365.901  70.800  5.2445  74.502  4.5564  -3.701515      6.947325  
1 1 1 -15 33  20 o 126.978 3.3004  8775.72    453.908  9310.18    651.319  8271.02    632.921  130.476 4.6088  122.941 4.7532  7.535019       6.620720  
1 1 1 -15 33  21 o 119.877 3.1365  7823.70    407.238  7676.81    800.380  7875.02    473.047  117.648 6.3041  120.161 3.6347  -2.512772      7.276889  
1 1 1 -15 33  22 o 97.324  2.9132  5157.36    307.091  4774.29    526.571  5354.80    378.034  92.939  5.2526  99.046  3.5239  -6.107758      6.325136  
1 1 1 -15 33  23 f 25.972  6.8647  391.434    196.029  270.465    420.940  424.933    221.515  26.069  10.225  27.027  7.3659  -0.9575806     12.60202  
1 1 1 -15 33  24 o 62.596  3.6892  2154.56    249.011  2730.36    516.157  1979.90    284.280  69.228  6.9790  59.796  4.4207  9.432114       8.261309  
1 1 1 -15 33  25 o 39.929  5.1561  900.506    217.777  1001.36    460.518  871.456    247.160  40.039  10.492  38.976  6.0510  1.063244       12.11221  
1 1 1 -15 33  26 o 46.611  4.6264  1217.47    230.477  1503.51    486.538  1134.71    261.702  49.530  9.4134  44.666  5.5276  4.864655       10.91637  
1 1 1 -15 33  27 o 25.733  7.2037  397.884    208.721  671.920    449.668  322.630    235.643  32.483  10.868  23.638  7.8664  8.844463       13.41611  
1 1 1 -15 33  28 o 27.389  7.1740  463.984    215.357  991.684    483.065  333.088    240.588  37.593  11.099  23.579  7.9492  14.01445       13.65184  
1 1 1 -15 33  29 o 43.028  6.1926  1115.72    280.281  1452.88    536.908  989.416    328.611  44.484  11.162  39.191  8.0119  5.293087       13.73968  
1 1 1 -15 33  30 o 23.800  9.1224  349.780    329.299  284.764    515.466  394.609    428.028  24.493  10.591  25.237  10.173  -0.7443008     14.68579  
1 1 1 -15 33  31 o 32.148  10.890  835.898    451.526  0.0000     0.0000   835.898    451.526  ?       ?       32.148  10.890  0.000000       10.88967  
1 1 1 -15 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 34  1  o 283.319 5.5054  43568.95   1689.42  45107.40   1998.31  39714.21   3163.14  288.163 6.4026  269.620 10.832  18.54245       12.58244  
1 1 1 -15 34  2  o 179.143 3.8274  17398.72   742.635  17397.64   812.943  17404.17   1825.53  179.118 4.1904  178.423 9.4804  0.6950073      10.36520  
1 1 1 -15 34  3  o 205.094 3.8286  22804.70   850.474  21761.62   978.851  26017.37   1717.87  200.306 4.5118  218.753 7.2504  -18.44766      8.539646  
1 1 1 -15 34  4  o 384.997 6.6369  80539.05   2767.52  80551.99   3193.91  80500.08   5544.15  384.814 7.6631  382.955 13.366  1.858429       15.40730  
1 1 1 -15 34  5  o 93.614  2.7657  4748.75    280.428  4870.13    319.125  4337.33    587.529  94.796  3.1082  89.156  6.1214  5.639725       6.865250  
1 1 1 -15 34  6  o 57.075  2.9118  1769.89    179.400  1768.61    202.986  1774.43    383.443  57.028  3.3004  56.801  6.3408  0.2261429      7.148361  
1 1 1 -15 34  7  o 95.854  2.8242  4979.00    293.206  5010.80    335.556  4876.34    602.935  96.150  3.2221  94.574  5.9159  1.576637       6.736453  
1 1 1 -15 34  8  o 137.869 3.2801  10303.14   489.808  10306.99   550.378  10288.48   1074.00  137.878 3.6855  137.339 7.2457  0.5395203      8.129156  
1 1 1 -15 34  9  o 29.187  5.3941  477.238    164.239  506.891    191.032  393.206    321.585  30.006  6.0861  27.610  9.1897  2.396486       11.02230  
1 1 1 -15 34  10 o 259.313 5.4667  36521.20   1535.41  36812.49   1878.26  35934.47   2665.70  260.162 6.6656  256.451 9.5970  3.710785       11.68475  
1 1 1 -15 34  11 o 188.610 3.8125  19293.87   778.829  18529.55   899.630  21580.39   1556.02  184.782 4.4950  199.089 7.2160  -14.30658      8.501548  
1 1 1 -15 34  12 o 93.753  3.0851  4765.19    313.278  4574.38    362.383  5329.60    623.260  91.837  3.6432  98.841  5.8479  -7.003326      6.889892  
1 1 1 -15 34  13 o 45.213  3.6685  1116.25    178.100  959.747    237.979  1315.50    268.520  41.676  5.3990  48.936  5.1431  -7.260311      7.456552  
1 1 1 -15 34  14 o 253.845 4.6360  35007.86   1274.63  33548.74   1802.45  36467.46   1802.75  248.066 6.7085  258.701 6.4338  -10.63487      9.295060  
1 1 1 -15 34  15 o 202.821 3.9597  22339.84   869.859  22751.32   1236.12  21936.19   1224.30  204.400 5.5835  200.695 5.6322  3.704712       7.930832  
1 1 1 -15 34  16 o 112.926 3.0641  6920.39    374.778  6962.07    537.112  6880.85    523.194  113.143 4.3829  112.491 4.2941  0.6523666      6.135931  
1 1 1 -15 34  17 o 55.119  3.5080  1657.42    208.337  1688.52    309.103  1631.54    282.021  55.395  5.2132  54.506  4.8271  0.8885231      7.104780  
1 1 1 -15 34  18 o 72.898  3.2375  2888.08    255.623  3040.71    393.341  2776.50    336.329  74.473  4.9039  71.240  4.3800  3.232437       6.575146  
1 1 1 -15 34  19 o 121.163 3.2100  7983.61    421.259  8187.64    609.038  7796.46    583.297  122.434 4.5927  119.493 4.5069  2.941780       6.434700  
1 1 1 -15 34  20 o 96.254  3.0195  5039.03    314.795  4893.70    491.339  5140.23    409.995  94.424  4.8204  97.077  3.8994  -2.653214      6.200078  
1 1 1 -15 34  21 o 32.974  5.5616  614.519    191.564  1107.90    374.385  439.531    222.961  43.779  8.1969  27.591  7.3347  16.18748       10.99937  
1 1 1 -15 34  22 o 28.371  6.3323  464.017    189.655  582.316    370.860  422.124    220.697  31.697  9.8041  27.001  7.3495  4.696215       12.25298  
1 1 1 -15 34  23 o 22.227  7.0898  274.280    192.479  478.946    413.026  217.500    217.546  29.678  10.401  21.012  7.5299  8.665428       12.84035  
1 1 1 -15 34  24 o 41.178  4.9841  951.578    217.763  948.027    457.099  952.621    247.676  39.204  10.538  40.973  5.7385  -1.768700      11.99909  
1 1 1 -15 34  25 o 63.255  3.7243  2206.08    254.032  2262.77    526.023  2188.84    290.104  62.156  7.9992  62.826  4.2889  -0.6695557     9.076477  
1 1 1 -15 34  26 o 82.506  2.8759  3723.30    256.998  3757.62    626.492  3716.36    281.799  80.509  7.2628  82.345  3.1596  -1.836220      7.920326  
1 1 1 -15 34  27 f 31.529  1.8746  543.088    63.729   0.0000     0.0000   543.088    63.729   ?       ?       31.529  1.8746  0.000000       1.874645  
1 1 1 -15 34  28 o 16.840  1.3587  155.162    24.571   189.236    37.262   128.947    32.683   18.531  1.8826  15.234  2.0314  3.296905       2.769654  
1 1 1 -15 34  29 o 6.1090  2.6565  -4.9424    32.793   -4.1588    32.901   -123.1028  404.036  6.1552  2.6687  18.755  8.6321  -12.60023      9.035248  
1 1 1 -15 34  30 o 44.522  2.7685  1101.60    132.842  1054.04    138.385  1659.79    474.114  43.469  2.9569  49.206  9.2351  -5.737885      9.696918  
1 1 1 -15 34  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 34  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 35  1  f 88.860  2.6290  4278.39    253.029  4350.95    301.077  4103.90    466.892  89.601  3.1024  86.827  4.9856  2.773720       5.872030  
1 1 1 -15 35  2  o 54.892  2.8191  1637.04    167.039  1726.62    184.331  1225.66    395.010  56.364  3.0306  46.799  8.0853  9.564762       8.634635  
1 1 1 -15 35  3  o 207.943 3.9894  23445.40   898.515  23343.88   1034.40  23757.46   1813.50  207.451 4.6037  208.937 8.0137  -1.486679      9.241906  
1 1 1 -15 35  4  o 64.453  2.2106  2250.54    154.322  2256.31    207.915  2243.46    230.284  64.525  2.9750  64.250  3.3205  0.2750473      4.458290  
1 1 1 -15 35  5  o 117.894 2.8630  7531.86    365.576  7230.62    417.931  8513.31    754.367  115.499 3.3409  125.228 5.5617  -9.729485      6.488002  
1 1 1 -15 35  6  o 36.593  3.7006  733.384    144.654  907.490    162.489  68.325     317.576  40.744  3.7232  20.959  8.6440  19.78476       9.411725  
1 1 1 -15 35  7  o 116.574 2.9739  7364.84    375.485  7890.84    432.184  5745.44    758.328  120.655 3.3072  102.572 6.8655  18.08232       7.620522  
1 1 1 -15 35  8  o 146.871 3.4001  11693.67   540.878  11241.72   603.334  13543.82   1220.72  143.983 3.8688  157.792 7.1427  -13.80849      8.123145  
1 1 1 -15 35  9  o 316.448 5.5861  54387.57   1914.61  55042.07   2210.26  52420.24   3832.02  318.200 6.4132  309.250 11.441  8.950409       13.11546  
1 1 1 -15 35  10 o 286.966 5.9226  44752.01   1840.84  44819.78   2252.46  44615.72   3194.38  286.935 7.2477  285.517 10.330  1.417816       12.61867  
1 1 1 -15 35  11 o 183.640 3.7372  18290.13   743.329  16924.04   857.078  22436.49   1493.19  176.592 4.4810  203.049 6.7896  -26.45711      8.134983  
1 1 1 -15 35  12 o 58.597  3.1383  1866.98    198.453  1968.34    262.436  1731.61    303.286  60.093  4.0558  56.239  5.0322  3.853935       6.463173  
1 1 1 -15 35  13 o 89.256  3.0831  4319.85    298.053  3998.83    421.892  4639.72    421.129  85.690  4.5621  92.451  4.2056  -6.760757      6.204866  
1 1 1 -15 35  14 o 86.450  2.7898  4052.24    261.219  4240.92    418.508  3931.82    334.344  88.361  4.3729  85.120  3.6265  3.241280       5.681054  
1 1 1 -15 35  15 o 65.806  3.2229  2349.75    229.708  2621.47    331.868  2099.83    318.272  69.305  4.4446  61.953  4.7801  7.351460       6.527118  
1 1 1 -15 35  16 o 103.008 3.0052  5758.28    335.289  5632.34    481.596  5876.74    467.077  101.757 4.3697  103.964 4.1480  -2.206963      6.024945  
1 1 1 -15 35  17 o 247.465 4.5850  33364.16   1228.92  32353.47   1740.07  34369.95   1735.85  242.902 6.6140  250.456 6.3990  -7.554626      9.202825  
1 1 1 -15 35  18 o 44.817  4.2618  1104.46    204.385  1033.68    315.026  1155.90    268.584  42.782  7.0437  45.627  5.5492  -2.844532      8.967010  
1 1 1 -15 35  19 o 128.228 3.2405  8943.77    450.058  9330.88    651.973  8591.39    622.038  130.680 4.6063  125.401 4.5798  5.278770       6.495560  
1 1 1 -15 35  20 o 49.045  3.9695  1320.96    209.051  1428.46    336.301  1253.26    266.878  50.513  6.2827  47.507  5.2758  3.005764       8.203997  
1 1 1 -15 35  21 o 31.687  2.0733  547.403    70.763   961.248    377.771  532.354    72.038   40.503  8.8579  31.239  2.1420  9.264551       9.113265  
1 1 1 -15 35  22 o 98.549  2.9522  5289.86    315.110  5615.96    545.714  5126.75    385.956  101.004 4.9884  96.864  3.6788  4.140182       6.198166  
1 1 1 -15 35  23 o 95.187  3.1693  4945.24    326.741  5416.16    667.558  4796.88    374.691  98.310  6.3026  93.617  3.6953  4.692322       7.305983  
1 1 1 -15 35  24 o 106.137 3.7111  6178.60    426.621  6478.27    747.638  6033.91    519.503  107.138 6.4733  104.539 4.5882  2.598145       7.934373  
1 1 1 -15 35  25 o 42.534  4.9458  1018.15    223.593  1411.64    479.742  908.959    252.719  48.074  9.5501  39.786  6.0557  8.288807       11.30825  
1 1 1 -15 35  26 o 18.766  7.2022  149.641    205.428  471.784    466.397  72.101     228.820  29.321  10.941  17.707  7.3230  11.61434       13.16534  
1 1 1 -15 35  27 o 30.562  6.7575  560.362    217.747  683.143    491.171  530.328    242.922  32.533  11.345  29.446  7.5738  3.087009       13.64112  
1 1 1 -15 35  28 o 45.719  5.0693  1207.51    246.802  1552.32    531.072  1112.52    278.728  47.438  10.603  43.267  6.1184  4.171032       12.24142  
1 1 1 -15 35  29 o 22.247  8.8354  257.895    317.960  617.326    496.937  8.7456     413.736  29.465  11.227  20.303  9.1003  9.161957       14.45207  
1 1 1 -15 35  30 o 18.340  8.1167  28.960     318.585  131.941    499.736  -41.5483   413.508  22.566  10.066  19.434  8.8646  3.131948       13.41275  
1 1 1 -15 35  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 36  1  o 316.142 5.6492  54259.64   1934.36  54754.32   2231.33  52763.43   3880.61  317.454 6.4895  310.540 11.538  6.914673       13.23738  
1 1 1 -15 36  2  o 187.857 3.5590  19130.18   724.139  18098.44   831.678  22363.83   1472.37  182.685 4.2032  202.861 6.7011  -20.17603      7.910234  
1 1 1 -15 36  3  o 137.979 3.1863  10318.32   476.176  10018.13   532.497  11516.46   1063.84  135.942 3.6166  145.570 6.7474  -9.628174      7.655471  
1 1 1 -15 36  4  f 218.299 4.0947  25841.24   968.153  26141.48   1115.42  24924.10   1949.49  219.518 4.6914  213.937 8.4133  5.580734       9.632865  
1 1 1 -15 36  5  o 237.413 4.3325  30570.13   1114.07  29375.26   1283.76  34215.08   2242.17  232.660 5.0944  250.675 8.2582  -18.01469      9.703157  
1 1 1 -15 36  6  o 294.926 5.6090  47226.94   1791.70  48063.23   1927.27  41901.96   4863.19  297.473 5.9817  274.666 16.423  22.80643       17.47803  
1 1 1 -15 36  7  o 91.442  2.8515  4531.37    282.417  4528.06    323.319  4542.01    580.110  91.398  3.2660  91.256  5.9008  0.1422424      6.744359  
1 1 1 -15 36  8  o 90.009  2.8435  4390.63    277.206  4321.71    316.920  4615.09    571.931  89.289  3.2770  91.997  5.7690  -2.708275      6.634798  
1 1 1 -15 36  9  o 149.725 3.3081  12153.07   536.472  12377.03   618.815  11475.53   1076.34  151.074 3.7818  145.242 6.8421  5.832382       7.817675  
1 1 1 -15 36  10 f 217.381 4.7587  25649.49   1120.42  24647.30   1369.09  27681.68   1949.57  212.956 5.9357  225.360 7.9872  -12.40363      9.951226  
1 1 1 -15 36  11 o 353.209 6.1338  67841.59   2346.56  67739.25   2708.79  68149.34   4697.18  352.698 7.0909  351.815 12.327  0.8830566      14.22084  
1 1 1 -15 36  12 o 368.805 5.7110  73957.04   2281.30  72781.21   2945.16  75720.75   3607.04  365.351 7.4427  372.092 8.9501  -6.741821      11.64037  
1 1 1 -15 36  13 o 126.494 3.1791  8677.48    435.561  8661.23    616.346  8693.68    615.608  126.285 4.5061  126.522 4.4923  -0.2374344     6.362838  
1 1 1 -15 36  14 o 138.512 3.2961  10408.58   494.486  10320.74   685.219  10504.03   714.305  137.810 4.5907  139.012 4.7442  -1.201920      6.601654  
1 1 1 -15 36  15 o 127.812 3.1556  8864.42    436.847  9020.04    619.820  8710.81    615.790  128.802 4.4429  126.570 4.4919  2.232582       6.318002  
1 1 1 -15 36  16 o 120.147 3.1302  7836.20    407.344  8024.97    585.947  7659.65    566.678  121.438 4.4549  118.647 4.4097  2.790543       6.268285  
1 1 1 -15 36  17 o 62.293  3.4691  2115.62    233.130  2390.82    370.202  1934.77    300.112  65.970  5.2238  59.390  4.7040  6.579556       7.029659  
1 1 1 -15 36  18 o 117.474 3.1922  7501.67    406.163  7657.60    600.075  7369.83    551.763  118.434 4.6780  116.244 4.3824  2.189613       6.410056  
1 1 1 -15 36  19 o 86.118  3.1750  4033.97    296.145  4249.42    444.697  3862.27    396.979  88.042  4.6802  83.989  4.3791  4.053093       6.409404  
1 1 1 -15 36  20 o 47.578  4.3561  1247.56    221.985  1541.92    333.478  1013.33    297.467  52.576  5.9615  42.297  6.7177  10.27833       8.981497  
1 1 1 -15 36  21 o 15.962  6.8676  -9.0123    214.515  -101.6043  340.108  52.156     276.435  18.759  8.3400  19.109  7.9878  -0.3503666     11.54821  
1 1 1 -15 36  22 o 39.098  5.0242  855.079    207.837  745.962    389.552  898.500    245.734  35.396  9.8175  39.875  5.8651  -4.478489      11.43598  
1 1 1 -15 36  23 o 55.618  2.4801  1683.51    149.400  1665.64    497.864  1685.28    156.618  53.180  8.9623  55.634  2.5991  -2.454529      9.331549  
1 1 1 -15 36  24 o 15.087  6.5430  -16.0962   197.882  -46.0497   440.085  -8.5055    221.541  21.817  9.6032  16.089  6.9505  5.727625       11.85456  
1 1 1 -15 36  25 o 35.966  1.9242  705.405    74.688   705.178    78.477   707.588    243.301  35.947  2.0238  34.775  6.7026  1.172222       7.001517  
1 1 1 -15 36  26 o 45.773  4.7086  1177.82    230.107  1213.10    506.189  1168.63    258.343  43.438  10.804  45.350  5.3635  -1.911713      12.06198  
1 1 1 -15 36  27 o 68.150  3.7110  2579.53    272.892  2714.17    583.571  2541.84    308.727  66.814  8.2387  67.389  4.2516  -0.5749359     9.270993  
1 1 1 -15 36  28 o 70.557  3.6997  2787.14    281.750  2740.04    610.638  2799.88    317.575  65.230  8.8733  70.400  4.1837  -5.170120      9.810116  
1 1 1 -15 36  29 o 30.446  9.2828  637.712    333.885  850.121    515.917  484.639    437.969  33.251  11.626  27.146  10.490  6.105299       15.65894  
1 1 1 -15 36  30 o 18.688  8.2095  54.472     320.227  85.466     503.617  33.436     414.904  22.090  9.9587  20.208  9.0813  1.882225       13.47761  
1 1 1 -15 36  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 37  1  f 153.474 3.6805  12769.49   611.800  13306.13   674.472  10277.83   1453.34  156.652 3.9752  136.891 9.8683  19.76045       10.63890  
1 1 1 -15 37  2  o 191.301 3.7356  19840.49   774.008  19873.16   890.158  19739.24   1567.13  191.425 4.2934  190.486 7.5958  0.9394073      8.725184  
1 1 1 -15 37  3  o 127.172 3.0563  8764.78    420.978  8708.79    481.098  8947.78    869.685  126.750 3.5044  128.342 6.2564  -1.591484      7.171015  
1 1 1 -15 37  4  o 187.294 3.7572  19018.68   762.185  19423.70   877.272  17771.67   1539.33  189.246 4.2799  180.705 7.8649  8.541428       8.953989  
1 1 1 -15 37  5  o 164.107 3.4245  14598.72   608.697  14391.08   699.576  15245.79   1234.97  162.910 3.9648  167.467 6.8086  -4.557648      7.878838  
1 1 1 -15 37  6  o 68.060  2.8387  2510.30    209.257  2530.99    237.482  2438.44    442.550  68.334  3.2087  66.710  6.1957  1.624344       6.977297  
1 1 1 -15 37  7  o 237.085 4.2991  30489.81   1103.94  30798.87   1273.29  29554.22   2215.38  238.221 4.9349  232.817 8.7854  5.404358       10.07653  
1 1 1 -15 37  8  o 286.387 5.0831  44523.38   1576.70  45202.99   1819.73  42476.64   3157.97  288.456 5.8245  278.648 10.464  9.808258       11.97547  
1 1 1 -15 37  9  o 207.817 4.0219  23425.68   905.279  23418.35   1044.86  23447.76   1812.98  207.729 4.6440  207.416 8.0701  0.3130188      9.310924  
1 1 1 -15 37  10 o 250.947 5.2712  34202.55   1432.71  33487.02   1751.99  35647.03   2489.27  248.119 6.5193  255.488 8.9956  -7.369202      11.10958  
1 1 1 -15 37  11 o 236.204 3.9460  30268.79   1009.52  30385.40   1304.13  30094.45   1594.62  236.518 5.0908  235.203 6.2596  1.314545       8.068374  
1 1 1 -15 37  12 o 116.477 3.0693  7356.03    387.214  7207.84    550.667  7500.96    544.590  115.223 4.4124  117.552 4.2773  -2.328400      6.145326  
1 1 1 -15 37  13 o 136.960 3.1854  10173.78   472.532  10561.48   668.220  9785.99    668.302  139.449 4.4242  134.216 4.5973  5.232697       6.380306  
1 1 1 -15 37  14 o 156.394 3.4995  13274.23   592.786  12841.66   805.830  13784.37   875.100  153.675 4.8414  159.184 5.0756  -5.508591      7.014341  
1 1 1 -15 37  15 o 203.344 4.2037  22476.97   925.832  21672.29   1238.22  23497.28   1394.28  199.349 5.7347  207.449 6.2054  -8.100281      8.449495  
1 1 1 -15 37  16 o 169.681 3.7116  15647.75   682.135  15267.07   924.320  16103.04   1010.84  167.341 5.0998  171.784 5.4329  -4.442993      7.451449  
1 1 1 -15 37  17 o 20.702  6.6065  230.658    167.119  283.582    271.650  198.430    211.981  24.001  8.4336  20.638  7.4290  3.362898       11.23902  
1 1 1 -15 37  18 o 97.627  3.1508  5181.17    333.161  5341.56    482.746  5035.29    460.372  98.930  4.5052  96.066  4.4246  2.864929       6.314592  
1 1 1 -15 37  19 o 111.758 3.1904  6794.65    386.188  6836.78    578.855  6760.86    518.432  111.788 4.7808  111.273 4.3016  0.5151062      6.431180  
1 1 1 -15 37  20 o 53.896  2.4826  1578.07    144.923  1508.68    165.086  1811.22    302.606  52.587  2.9097  57.270  4.9264  -4.683464      5.721500  
1 1 1 -15 37  21 o 75.709  3.3732  3125.58    276.606  3454.62    413.081  2858.12    372.429  79.164  4.8409  71.989  4.8040  7.174957       6.820058  
1 1 1 -15 37  22 o 38.502  4.8849  828.440    199.126  1127.38    389.125  722.388    231.771  43.884  8.4937  35.562  6.2452  8.322411       10.54259  
1 1 1 -15 37  23 o 66.165  3.6413  2403.61    259.944  2309.28    545.471  2431.33    295.678  63.159  8.1650  66.417  4.1307  -3.258133      9.150366  
1 1 1 -15 37  24 o 16.224  6.7869  39.360     199.766  161.728    438.612  7.3332     224.390  24.444  10.126  16.462  7.0516  7.981968       12.33982  
1 1 1 -15 37  25 f 88.219  3.3241  4267.07    317.616  4421.45    660.686  4220.67    362.217  87.731  7.0116  87.566  3.8191  0.1640701      7.984250  
1 1 1 -15 37  26 o 14.057  1.8703  109.374    27.769   -305.7265  460.836  110.887    27.819   19.370  9.0198  14.157  1.8592  5.212282       9.209391  
1 1 1 -15 37  27 o 19.828  1.9469  216.333    41.272   213.566    41.897   307.072    239.908  19.692  1.9918  23.065  7.9356  -3.373064      8.181705  
1 1 1 -15 37  28 o 71.560  4.3291  2904.54    333.955  2749.57    613.635  2969.75    398.069  65.132  8.9339  71.688  5.1613  -6.555954      10.31758  
1 1 1 -15 37  29 o 33.481  9.0704  767.019    337.085  742.215    516.923  785.370    444.625  31.312  11.551  32.546  10.804  -1.233511      15.81627  
1 1 1 -15 37  30 f 35.873  8.9693  898.280    347.575  706.418    536.937  1036.67    456.008  29.789  11.586  36.626  10.775  -6.836775      15.82210  
1 1 1 -15 37  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 38  1  o 82.726  2.6615  3708.27    238.470  3666.40    267.321  3871.44    527.723  82.251  3.0007  84.236  5.8198  -1.984909      6.547851  
1 1 1 -15 38  2  o 98.779  2.7230  5287.29    291.330  5193.35    329.438  5624.33    624.004  97.889  3.1072  101.619 5.6924  -3.729347      6.485215  
1 1 1 -15 38  3  o 153.382 3.2738  12751.73   543.881  12575.25   623.403  13314.11   1112.86  152.295 3.7793  156.522 6.5644  -4.227112      7.574605  
1 1 1 -15 38  4  o 172.260 3.5509  16086.52   662.508  16119.28   761.743  15984.81   1342.37  172.407 4.0793  171.435 7.2294  0.9721375      8.300906  
1 1 1 -15 38  5  o 191.419 3.7889  19867.08   785.529  19952.52   904.392  19604.63   1585.12  191.793 4.3537  189.790 7.7111  2.002762       8.855279  
1 1 1 -15 38  6  o 121.551 2.9654  8007.37    390.404  7822.12    448.668  8584.91    792.212  120.120 3.4486  125.721 5.8179  -5.600304      6.763150  
1 1 1 -15 38  7  o 355.548 6.6973  68739.39   2579.10  67709.08   2764.63  75652.05   7161.02  352.753 7.2360  368.397 17.947  -15.64340      19.35071  
1 1 1 -15 38  8  o 105.171 2.9921  5995.25    340.831  6359.02    391.121  4847.27    694.810  108.303 3.3343  94.148  6.8609  14.15546       7.628224  
1 1 1 -15 38  9  o 107.166 3.0360  6225.24    352.392  5887.18    408.131  7215.55    698.542  104.195 3.6164  115.248 5.5962  -11.05233      6.663002  
1 1 1 -15 38  10 o 77.694  3.4225  3273.11    288.004  3274.60    349.525  3269.97    508.296  77.575  4.1753  77.310  6.1204  0.2657166      7.408899  
1 1 1 -15 38  11 o 233.120 4.3278  29497.16   1092.74  28348.16   1543.30  30652.32   1547.43  228.257 6.2425  237.392 6.0183  -9.134369      8.671147  
1 1 1 -15 38  12 o 120.839 3.0958  7917.94    405.177  7549.94    566.170  8304.27    580.096  117.917 4.4330  123.675 4.3306  -5.757980      6.197244  
1 1 1 -15 38  13 o 126.765 3.1214  8715.72    428.568  8413.18    604.951  9020.54    607.229  124.445 4.4882  128.871 4.3504  -4.425850      6.250596  
1 1 1 -15 38  14 o 66.046  3.2708  2366.99    233.977  2435.04    323.325  2292.17    339.019  66.780  4.4963  64.735  4.8709  2.045502       6.628939  
1 1 1 -15 38  15 o 56.133  2.2733  1708.40    138.213  1348.36    291.910  1812.44    156.917  49.423  5.5491  57.810  2.5061  -8.387665      6.088785  
1 1 1 -15 38  16 o 103.421 3.0578  5807.30    342.523  5551.85    481.027  6070.04    487.848  100.983 4.3980  105.607 4.2650  -4.624123      6.126368  
1 1 1 -15 38  17 o 69.478  3.1925  2623.11    240.241  2870.17    367.313  2438.41    317.588  72.381  4.7110  66.740  4.4185  5.641441       6.458823  
1 1 1 -15 38  18 o 221.343 4.2306  26720.96   1014.23  27216.27   1439.48  26232.68   1429.24  222.607 5.9703  218.512 6.0389  4.094757       8.491957  
1 1 1 -15 38  19 o 164.988 3.5108  14824.88   627.374  15092.10   901.681  14574.13   873.472  165.985 5.0155  163.138 4.9434  2.846680       7.042177  
1 1 1 -15 38  20 o 133.601 3.2470  9720.62    469.846  10198.57   685.342  9296.78    645.382  136.450 4.6373  130.298 4.5731  6.151901       6.512887  
1 1 1 -15 38  21 o 96.265  3.1752  5049.93    331.066  5371.24    490.021  4780.09    449.055  98.951  4.5722  93.381  4.4399  5.569717       6.373192  
1 1 1 -15 38  22 o 79.998  3.1629  3490.58    274.055  3472.92    542.291  3496.63    317.596  78.690  6.4187  79.969  3.6667  -1.279709      7.392170  
1 1 1 -15 38  23 o 63.941  3.7060  2247.18    255.562  2583.62    535.286  2147.85    290.851  67.136  7.4890  62.338  4.3347  4.797962       8.652987  
1 1 1 -15 38  24 o 31.896  1.3842  551.980    47.819   563.439    48.827   283.014    236.555  32.224  1.3990  22.917  7.8802  9.307060       8.003418  
1 1 1 -15 38  25 o 16.111  6.8337  24.343     207.059  -71.4711   446.878  50.537     233.654  21.487  9.5561  17.481  7.3283  4.005400       12.04257  
1 1 1 -15 38  26 o 68.421  3.6942  2589.76    272.752  2529.89    580.162  2606.74    309.034  64.856  8.4605  68.441  4.1891  -3.584709      9.440815  
1 1 1 -15 38  27 o 46.529  4.8259  1233.81    239.667  1462.32    521.547  1172.64    269.846  46.761  10.549  44.934  5.6708  1.826260       11.97647  
1 1 1 -15 38  28 o 60.811  2.8441  2041.56    187.322  2002.73    217.062  2154.83    370.766  59.919  3.3582  60.536  5.7227  -0.6167336     6.635211  
1 1 1 -15 38  29 o 23.441  2.0708  303.279    52.034   299.543    52.424   551.938    427.687  23.288  2.1010  28.152  10.482  -4.863338      10.69081  
1 1 1 -15 38  30 f 19.325  8.3771  99.730     324.055  335.672    502.349  -68.4267   424.092  24.660  10.557  19.233  8.8490  5.426468       13.77488  
1 1 1 -15 38  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 39  1  o 174.716 3.6359  16549.43   688.035  15381.60   839.911  18931.76   1199.62  168.383 4.6054  186.699 5.9324  -18.31578      7.510205  
1 1 1 -15 39  2  o 171.303 3.6791  15909.63   682.621  15667.90   749.578  17084.20   1652.33  169.976 4.0715  177.070 8.6155  -7.093872      9.529169  
1 1 1 -15 39  3  o 66.387  2.4281  2387.91    174.592  2662.63    226.952  1989.62    273.272  70.093  2.9894  60.423  4.2018  9.669960       5.156728  
1 1 1 -15 39  4  o 215.226 4.2410  25124.30   988.635  24565.30   1073.99  28227.78   2530.58  212.785 4.6600  227.289 10.280  -14.50377      11.28645  
1 1 1 -15 39  5  o 129.626 3.0234  9106.88    424.479  9057.80    486.303  9263.94    869.917  129.260 3.4736  130.576 6.1510  -1.316086      7.064016  
1 1 1 -15 39  6  o 193.225 3.8186  20245.88   799.165  20415.13   920.858  19729.46   1608.53  193.990 4.3827  190.348 7.8021  3.641983       8.948778  
1 1 1 -15 39  7  o 136.870 3.2129  10155.01   476.292  9957.08    535.816  10900.34   1039.75  135.510 3.6507  141.565 6.7811  -6.054855      7.701381  
1 1 1 -15 39  8  o 122.356 3.0186  8114.87    400.036  8029.49    460.557  8377.20    807.292  121.692 3.4942  124.154 6.0034  -2.461700      6.946279  
1 1 1 -15 39  9  o 236.480 4.4084  30346.15   1129.13  30172.91   1303.46  30866.98   2260.02  235.723 5.1054  237.794 8.7749  -2.070313      10.15204  
1 1 1 -15 39  10 f 94.502  3.3897  4842.73    346.954  5034.17    422.086  4443.89    609.235  96.325  4.0457  90.168  6.2774  6.156952       7.468156  
1 1 1 -15 39  11 o 178.997 3.5829  17379.17   694.617  17334.12   983.143  17424.08   981.534  178.619 5.0818  179.085 5.0603  -0.4653473     7.171574  
1 1 1 -15 39  12 o 68.901  2.9845  2574.22    222.726  2725.26    322.740  2436.89    307.758  70.723  4.2327  66.859  4.2722  3.864174       6.014001  
1 1 1 -15 39  13 o 56.351  3.4802  1729.63    211.369  1631.54    287.974  1844.20    311.221  54.559  4.9264  58.023  5.0010  -3.464272      7.019928  
1 1 1 -15 39  14 o 105.163 3.0309  6000.17    345.230  5774.80    482.581  6236.41    494.080  103.072 4.3227  107.118 4.2586  -4.046242      6.068056  
1 1 1 -15 39  15 o 38.980  4.4634  837.394    185.044  700.319    256.046  987.262    267.728  35.159  6.9701  42.096  6.0454  -6.937683      9.226565  
1 1 1 -15 39  16 o 93.206  3.0917  4717.75    312.108  4732.71    446.180  4703.41    436.744  93.218  4.4191  92.939  4.3387  0.2795334      6.192992  
1 1 1 -15 39  17 o 93.991  3.1070  4800.54    316.296  5209.92    476.774  4478.74    422.710  97.734  4.5040  90.645  4.3056  7.089645       6.230851  
1 1 1 -15 39  18 o 83.061  3.2556  3752.63    292.889  3673.58    438.078  3816.53    393.858  81.800  4.9681  83.508  4.3697  -1.708817      6.616374  
1 1 1 -15 39  19 o 42.193  4.0723  980.417    183.791  1086.70    265.075  882.020    255.054  44.116  5.6795  39.564  6.1518  4.551285       8.372665  
1 1 1 -15 39  20 o 32.515  5.5372  597.643    188.013  597.976    303.018  597.435    239.742  32.024  8.5682  32.176  7.0722  -0.1515961     11.10988  
1 1 1 -15 39  21 o 43.942  4.4794  1069.50    210.211  1232.67    327.785  955.513    273.969  46.623  6.6823  41.035  6.3709  5.587982       9.232576  
1 1 1 -15 39  22 o 36.077  5.1003  731.711    193.738  743.395    379.877  727.603    225.232  35.253  9.6618  35.723  6.0363  -0.4701157     11.39241  
1 1 1 -15 39  23 o 44.801  2.0886  1091.10    101.349  1272.29    469.915  1082.26    103.791  45.867  9.7589  44.614  2.1479  1.253452       9.992451  
1 1 1 -15 39  24 o 63.053  3.7833  2191.88    257.174  2134.15    535.284  2209.20    293.234  60.173  8.4458  63.135  4.3140  -2.962181      9.483745  
1 1 1 -15 39  25 o 63.988  3.8060  2261.86    262.589  2428.46    551.269  2212.96    298.647  64.190  8.1101  63.083  4.3985  1.107319       9.226052  
1 1 1 -15 39  26 o 37.618  5.8049  818.655    228.903  680.612    490.797  857.029    258.770  32.807  11.347  38.222  6.4824  -5.414524      13.06787  
1 1 1 -15 39  27 o 58.447  4.1562  1920.23    261.394  1779.12    554.656  1960.51    296.370  51.811  10.247  58.767  4.6954  -6.955933      11.27148  
1 1 1 -15 39  28 o 34.442  7.4762  749.756    270.893  1201.91    507.987  570.079    320.226  40.460  11.207  29.161  9.1252  11.29945       14.45220  
1 1 1 -15 39  29 o 20.922  8.7228  181.100    328.420  165.984    491.691  193.275    441.297  23.082  10.155  22.748  9.8183  0.3342743      14.12559  
1 1 1 -15 39  30 o 35.581  2.0027  696.531    76.866   697.336    77.981   668.950    456.210  35.594  2.0312  29.364  10.847  6.230158       11.03597  
1 1 1 -15 39  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 40  1  o 419.648 7.9612  95887.56   3618.54  94282.13   4428.71  99111.87   6276.25  415.528 9.8403  424.426 13.653  -8.897614      16.82960  
1 1 1 -15 40  2  o 247.790 4.4837  33308.38   1203.35  32747.83   1386.26  35022.13   2423.86  245.622 5.2108  253.458 8.8294  -7.836273      10.25238  
1 1 1 -15 40  3  o 555.829 9.2658  168551.50  5578.18  163655.09  6438.93  183281.00  11167.76 546.939 10.869  573.802 17.969  -26.86298      21.00104  
1 1 1 -15 40  4  o 322.365 5.7138  56439.15   1994.99  57612.55   2301.67  52895.03   4000.12  325.557 6.5275  310.602 11.890  14.95435       13.56433  
1 1 1 -15 40  5  o 174.354 3.7604  16483.74   710.127  16237.19   779.428  17688.14   1722.72  173.020 4.1592  180.095 8.8317  -7.074371      9.762027  
1 1 1 -15 40  6  o 60.288  3.0322  1974.98    197.362  2095.42    223.830  1554.14    418.391  62.081  3.3411  52.912  7.5115  9.169445       8.221036  
1 1 1 -15 40  7  o 178.576 3.6255  17291.66   701.228  17154.04   808.080  17711.27   1411.02  177.825 4.1956  180.389 7.2219  -2.564056      8.352176  
1 1 1 -15 40  8  o 58.105  3.1950  1835.78    200.299  1847.18    230.366  1800.48    405.495  58.248  3.6702  57.148  6.6770  1.100178       7.619216  
1 1 1 -15 40  9  o 82.728  3.0118  3709.99    269.868  3957.52    312.113  2976.74    537.179  85.432  3.3730  73.644  6.8117  11.78822       7.601115  
1 1 1 -15 40  10 o 86.561  3.3773  4063.25    316.637  4078.49    383.618  4030.68    560.864  86.696  4.0854  85.872  6.0694  0.8240738      7.316254  
1 1 1 -15 40  11 f 108.221 3.0325  6350.31    355.456  6564.58    494.188  6120.63    511.649  109.974 4.1489  106.172 4.4493  3.801804       6.083542  
1 1 1 -15 40  12 o 119.162 3.0927  7700.94    399.154  7582.19    568.288  7816.56    560.766  118.149 4.4408  119.972 4.3155  -1.822083      6.192318  
1 1 1 -15 40  13 o 68.986  3.2424  2582.03    242.265  2711.20    339.545  2448.09    345.768  70.491  4.4704  66.929  4.8017  3.562462       6.560582  
1 1 1 -15 40  14 o 114.786 3.0960  7149.85    384.908  7521.69    550.068  6793.10    538.792  117.620 4.3178  111.765 4.4509  5.855461       6.201133  
1 1 1 -15 40  15 o 101.093 2.9647  5546.83    324.616  5647.68    462.014  5448.50    456.195  101.895 4.1863  100.080 4.2086  1.815323       5.936100  
1 1 1 -15 40  16 o 19.690  6.8093  192.855    176.754  406.686    266.403  24.701     236.242  27.075  8.2987  17.481  7.3506  9.593763       11.08598  
1 1 1 -15 40  17 o 55.202  3.5998  1665.05    214.052  1799.43    321.359  1557.89    286.980  57.120  5.2533  53.154  5.0452  3.965477       7.283606  
1 1 1 -15 40  18 o 71.801  2.6321  2800.16    204.694  2766.81    372.720  2814.56    244.938  70.954  4.8796  71.940  3.1435  -0.9855347     5.804480  
1 1 1 -15 40  19 o 71.446  3.2827  2778.90    254.030  2826.31    385.393  2742.47    337.798  71.639  4.9982  70.689  4.4344  0.9498749      6.681784  
1 1 1 -15 40  20 o 75.546  3.2620  3109.62    266.906  3089.44    407.917  3124.74    352.946  74.817  5.0637  75.433  4.3382  -0.6155624     6.667914  
1 1 1 -15 40  21 o 55.683  3.7524  1701.97    224.989  1796.56    353.775  1637.73    291.543  56.689  5.8457  54.330  5.0109  2.358826       7.699409  
1 1 1 -15 40  22 o 59.493  3.4007  1939.86    218.222  1946.57    448.536  1937.78    249.776  58.404  7.2463  59.349  3.9075  -0.9451523     8.232735  
1 1 1 -15 40  23 f 27.603  6.9656  446.684    208.254  432.993    440.752  450.618    236.295  28.921  10.666  27.681  7.6340  1.240053       13.11683  
1 1 1 -15 40  24 o 28.719  1.5582  449.099    48.288   453.285    49.303   350.562    239.205  28.850  1.5839  24.730  7.9052  4.120045       8.062330  
1 1 1 -15 40  25 o 57.779  4.0480  1851.21    251.722  1807.25    528.742  1864.09    286.242  54.528  9.2855  57.781  4.6123  -3.252808      10.36787  
1 1 1 -15 40  26 o 60.830  3.9810  2059.13    260.841  1717.62    547.415  2159.44    296.688  51.957  10.091  62.100  4.4403  -10.14295      11.02492  
1 1 1 -15 40  27 o 75.149  2.8853  3110.28    234.851  2918.34    327.632  3313.13    336.817  72.003  4.2195  76.839  4.0615  -4.835175      5.856654  
1 1 1 -15 40  28 o 23.356  9.1055  300.991    332.236  698.611    486.191  -47.3376   455.059  31.110  11.244  20.624  9.3655  10.48631       14.63317  
1 1 1 -15 40  29 o 40.737  8.2829  1092.35    353.008  1059.15    514.071  1121.97    485.601  36.708  11.574  38.449  11.065  -1.741192      16.01161  
1 1 1 -15 40  30 o 51.598  6.8227  1674.13    371.945  1555.29    534.911  1785.37    517.539  44.738  11.094  49.676  9.9656  -4.937172      14.91252  
1 1 1 -15 40  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 41  1  o 178.746 5.4341  17347.98   1052.04  14986.78   1679.56  18872.60   1349.61  165.444 9.4118  186.310 6.6881  -20.86607      11.54609  
1 1 1 -15 41  2  o 252.491 4.8195  34595.91   1318.01  33164.99   1554.13  38261.17   2487.32  247.099 5.8069  264.922 8.6685  -17.82214      10.43377  
1 1 1 -15 41  3  o 68.409  2.1884  2535.41    162.149  2425.96    173.619  3282.61    453.634  66.913  2.3956  77.565  5.4341  -10.65159      5.938681  
1 1 1 -15 41  4  o 345.228 6.0248  64756.82   2252.76  63131.52   2598.67  69671.94   4519.09  340.662 7.0430  356.463 11.705  -15.80081      13.66045  
1 1 1 -15 41  5  o 246.074 4.8072  32863.35   1281.23  33366.82   1512.20  31582.33   2412.12  247.851 5.6331  240.525 9.2591  7.326065       10.83800  
1 1 1 -15 41  6  o 319.567 5.7167  55478.51   1978.69  57034.88   2283.46  50787.52   3964.33  323.868 6.5096  304.128 12.035  19.73944       13.68262  
1 1 1 -15 41  7  o 146.627 3.3057  11655.76   524.981  11975.45   604.336  10672.60   1059.81  148.601 3.7548  140.045 6.9870  8.556503       7.931994  
1 1 1 -15 41  8  o 196.228 3.8493  20885.10   818.100  20358.80   943.612  22478.11   1641.68  193.684 4.4981  203.139 7.4615  -9.454315      8.712462  
1 1 1 -15 41  9  o 172.766 3.2007  16183.30   598.922  16677.14   775.154  15451.78   943.430  175.318 4.0822  168.658 5.1646  6.660217       6.583070  
1 1 1 -15 41  10 o 277.299 5.8249  41818.78   1749.48  44381.52   2141.27  36673.13   3034.17  285.421 6.9265  258.341 10.844  27.07990       12.86706  
1 1 1 -15 41  11 o 217.877 4.1010  25768.16   967.758  24685.35   1367.60  26854.19   1369.64  212.979 5.9286  222.180 5.6915  -9.201691      8.218396  
1 1 1 -15 41  12 o 61.248  2.4804  2033.54    164.542  2316.97    298.662  1910.03    197.163  65.177  4.2541  59.263  3.0823  5.914028       5.253330  
1 1 1 -15 41  13 o 213.731 4.1101  24817.63   951.462  24516.00   1346.74  25118.22   1344.40  212.078 5.8630  214.686 5.7817  -2.608109      8.234224  
1 1 1 -15 41  14 o 159.191 3.4315  13760.34   591.655  13830.80   837.078  13689.99   836.375  159.389 4.8488  158.572 4.8697  0.8170319      6.872092  
1 1 1 -15 41  15 o 18.452  6.3524  169.563    153.744  -46.8026   222.825  366.165    212.404  15.743  6.8836  25.517  7.3104  -9.773714      10.04119  
1 1 1 -15 41  16 o 120.433 3.1857  7880.74    415.553  7872.91    601.011  7887.90    575.198  120.156 4.6181  120.306 4.4143  -0.1501923     6.388517  
1 1 1 -15 41  17 o 22.388  6.6722  279.644    173.941  607.270    262.673  23.783     232.128  32.498  7.5985  17.287  7.2785  15.21087       10.52208  
1 1 1 -15 41  18 o 50.255  3.5702  1382.22    193.066  1274.48    313.463  1448.07    245.065  47.729  6.2108  51.299  4.4549  -3.569473      7.643301  
1 1 1 -15 41  19 o 135.262 3.2640  9961.36    478.184  10584.51   687.448  9377.20    665.590  139.074 4.5638  130.862 4.6960  8.211746       6.548291  
1 1 1 -15 41  20 o 73.847  3.2633  2971.82    261.010  3261.31    399.326  2755.88    344.879  76.933  4.8166  70.771  4.5229  6.161827       6.607243  
1 1 1 -15 41  21 o 27.484  7.5473  438.293    231.535  816.309    317.066  6.4159     338.902  37.359  8.0715  20.139  8.6474  17.22052       11.82905  
1 1 1 -15 41  22 o 23.290  7.2602  305.883    202.928  335.226    352.795  291.374    248.074  26.034  9.5518  23.444  8.0693  2.590122       12.50403  
1 1 1 -15 41  23 o 19.079  7.2085  157.744    203.776  45.825     429.000  190.354    231.568  22.720  9.7417  20.538  7.7002  2.181868       12.41751  
1 1 1 -15 41  24 o 29.634  6.8068  517.303    213.874  494.897    454.634  523.670    242.367  29.893  10.862  29.655  7.5316  0.2381039      13.21767  
1 1 1 -15 41  25 o 16.880  2.2702  158.016    40.453   152.247    41.039   355.689    240.238  16.549  2.3562  24.751  7.9234  -8.202934      8.266273  
1 1 1 -15 41  26 o 25.889  7.3922  405.514    217.546  447.257    466.800  393.933    245.880  28.368  10.864  25.577  7.9948  2.790506       13.48868  
1 1 1 -15 41  27 o 35.915  6.0979  769.726    228.724  949.883    474.910  715.317    260.987  36.554  11.055  33.941  7.3150  2.613472       13.25564  
1 1 1 -15 41  28 o 48.436  3.0976  1305.63    161.655  1179.28    167.718  2959.09    606.729  45.897  3.3980  67.933  8.4270  -22.03565      9.086275  
1 1 1 -15 41  29 o 47.321  7.2873  1412.84    361.518  1809.66    511.882  1017.93    510.647  51.187  9.5852  35.867  11.559  15.32019       15.01632  
1 1 1 -15 41  30 o 14.701  7.0095  -269.1488  309.709  -2.8924    447.221  -514.5130  429.317  20.143  9.1999  15.824  7.7153  4.318416       12.00689  
1 1 1 -15 41  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 42  1  o 172.458 5.4585  16151.03   1019.60  15218.07   1621.65  16760.96   1311.20  166.771 9.0112  175.541 6.8964  -8.769989      11.34729  
1 1 1 -15 42  2  o 74.721  2.8444  3025.87    230.200  3218.55    257.244  2251.28    515.768  77.058  3.0822  63.861  7.6064  13.19779       8.207157  
1 1 1 -15 42  3  o 65.034  2.5859  2291.89    182.144  2173.92    206.833  2699.41    384.435  63.331  3.0153  70.335  5.0806  -7.003910      5.907994  
1 1 1 -15 42  4  o 384.873 6.4599  80534.38   2692.87  77475.13   3106.87  89773.71   5399.28  377.207 7.6045  404.261 12.331  -27.05392      14.48747  
1 1 1 -15 42  5  o 281.017 4.9427  42866.83   1504.42  41271.83   1734.58  47709.23   3022.35  275.616 5.8106  295.550 9.4416  -19.93433      11.08631  
1 1 1 -15 42  6  o 222.643 4.3866  26895.41   1057.82  26824.45   1148.27  27293.35   2719.20  222.311 4.7688  222.824 11.304  -0.5130463     12.26880  
1 1 1 -15 42  7  f 328.789 5.8156  58747.08   2071.00  59199.84   2390.11  57382.98   4148.65  329.869 6.6897  323.186 11.852  6.683350       13.60945  
1 1 1 -15 42  8  o 191.746 3.8348  19943.62   796.410  20123.80   919.190  19401.04   1595.04  192.560 4.4073  188.637 7.8068  3.923462       8.964944  
1 1 1 -15 42  9  o 136.814 3.1981  10149.20   473.902  10494.84   669.229  9801.54    671.172  139.045 4.4437  134.361 4.6120  4.683426       6.404484  
1 1 1 -15 42  10 o 46.770  4.1523  1196.62    208.158  1414.38    249.192  693.881    378.641  50.831  4.5753  35.043  9.6633  15.78713       10.69171  
1 1 1 -15 42  11 o 192.376 3.7837  20084.72   788.387  19179.98   1115.62  20987.27   1114.27  187.774 5.4854  196.460 5.2366  -8.686417      7.583642  
1 1 1 -15 42  12 o 144.159 3.3946  11276.55   530.032  10451.24   727.939  12207.85   773.271  138.641 4.8477  149.850 4.7643  -11.20908      6.796969  
1 1 1 -15 42  13 o 83.213  2.9737  3756.69    268.020  3402.59    377.437  4116.86    380.659  78.986  4.4298  87.046  4.0376  -8.059837      5.993730  
1 1 1 -15 42  14 o 209.986 4.0355  23971.92   917.823  23143.05   1297.35  24802.43   1298.64  205.895 5.8176  213.205 5.6237  -7.309601      8.091366  
1 1 1 -15 42  15 o 158.430 3.5273  13641.78   605.268  14429.78   875.687  12920.93   837.542  162.655 4.9706  153.905 5.0244  8.750595       7.067648  
1 1 1 -15 42  16 o 32.117  5.8169  581.997    194.895  751.996    279.045  420.088    272.324  36.302  7.3491  27.450  8.3865  8.851871       11.15092  
1 1 1 -15 42  17 o 63.722  3.3969  2215.26    233.596  1892.66    343.198  2493.72    318.853  58.521  5.4783  67.460  4.3877  -8.939140      7.018804  
1 1 1 -15 42  18 o 42.034  4.3441  974.990    194.920  1318.12    295.656  711.184    259.237  48.659  5.7190  35.256  7.0353  13.40223       9.066552  
1 1 1 -15 42  19 o 108.017 3.1743  6352.06    371.376  5998.61    547.238  6653.81    505.635  104.608 4.8299  110.328 4.2314  -5.719948      6.421247  
1 1 1 -15 42  20 f 86.883  3.2163  4113.46    302.662  4528.27    447.490  3763.72    410.903  90.764  4.5666  82.716  4.6047  8.047523       6.485158  
1 1 1 -15 42  21 o 108.847 3.1857  6461.08    375.571  6624.77    550.460  6318.51    513.717  109.793 4.6289  107.294 4.4206  2.499077       6.400642  
1 1 1 -15 42  22 o 96.937  2.9859  5125.61    313.500  5190.36    440.038  5058.88    446.751  97.213  4.1792  95.935  4.2995  1.278336       5.995961  
1 1 1 -15 42  23 o 127.734 3.2884  8925.63    454.942  9368.25    917.103  8781.16    523.954  128.773 6.5976  126.472 3.8250  2.300690       7.626176  
1 1 1 -15 42  24 o 28.258  6.9970  472.354    213.023  -88.5137   452.368  632.167    241.473  21.486  9.5812  32.742  7.0199  -11.25582      11.87764  
1 1 1 -15 42  25 o 24.344  7.5589  346.969    220.211  418.537    435.987  322.458    255.148  28.029  10.555  23.967  8.1856  4.062010       13.35679  
1 1 1 -15 42  26 o 28.874  1.6575  455.033    51.620   456.271    52.779   427.777    247.669  28.909  1.6930  26.437  7.9804  2.471363       8.158014  
1 1 1 -15 42  27 o 39.351  2.3489  851.827    99.655   1464.18    474.550  823.576    101.928  46.837  9.6748  38.665  2.4465  8.171543       9.979317  
1 1 1 -15 42  28 o 24.118  9.0527  349.441    320.232  484.640    446.694  206.489    459.323  27.336  10.586  23.453  10.069  3.883251       14.60932  
1 1 1 -15 42  29 o 14.979  7.1072  -258.0707  310.595  -489.1193  437.156  -22.5445   441.371  16.362  7.9337  20.200  9.1924  -3.837416      12.14266  
1 1 1 -15 42  30 o 25.866  9.3308  471.746    334.612  525.062    472.557  418.134    473.870  26.804  10.730  25.288  10.505  1.516153       15.01602  
1 1 1 -15 42  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 43  1  o 251.354 6.4999  34351.82   1769.54  33947.20   2496.78  34760.18   2508.27  249.360 9.2445  252.343 9.1773  -2.982941      13.02626  
1 1 1 -15 43  2  o 420.903 7.3523  96433.01   3351.78  99267.58   3868.35  87895.01   6713.69  426.722 8.3697  398.317 15.562  28.40512       17.66988  
1 1 1 -15 43  3  o 244.693 4.6271  32491.46   1226.31  33686.80   1413.21  28847.65   2467.41  249.082 5.2384  229.725 9.9166  19.35710       11.21514  
1 1 1 -15 43  4  o 172.109 3.4912  16060.53   650.805  15690.50   747.056  17225.36   1325.47  170.080 4.0554  177.941 6.8774  -7.860306      7.984015  
1 1 1 -15 43  5  o 209.581 3.9268  23823.35   891.386  23292.75   1026.35  25452.24   1798.28  207.178 4.5739  216.164 7.6808  -8.986526      8.939477  
1 1 1 -15 43  6  o 173.036 3.5223  16235.35   660.135  16198.03   759.971  16350.05   1332.37  172.800 4.0605  173.309 7.0979  -0.5090485     8.177320  
1 1 1 -15 43  7  o 294.151 5.1967  46995.94   1655.64  45603.61   1910.08  51202.58   3320.09  289.602 6.0895  305.814 10.024  -16.21118      11.72833  
1 1 1 -15 43  8  o 162.831 3.0081  14373.87   530.521  13999.85   684.829  14935.18   838.955  160.639 3.9361  165.857 4.6702  -5.218399      6.107644  
1 1 1 -15 43  9  o 210.958 4.2859  24156.71   979.278  23285.07   1304.54  25281.96   1482.23  206.916 5.8210  215.519 6.3498  -8.602844      8.614146  
1 1 1 -15 43  10 o 94.342  3.3352  4827.51    340.797  5062.88    413.329  4327.75    602.289  96.584  3.9511  88.929  6.2937  7.654503       7.431116  
1 1 1 -15 43  11 o 162.883 3.4925  14395.53   616.151  14702.31   874.043  14092.48   868.718  164.455 4.9070  160.999 4.9818  3.456223       6.992643  
1 1 1 -15 43  12 o 51.006  2.3419  1410.32    129.379  1606.30    270.095  1351.96    147.389  54.157  4.6497  49.855  2.7400  4.301956       5.396968  
1 1 1 -15 43  13 o 139.503 3.2101  10562.71   485.029  10713.48   688.938  10414.55   682.971  140.340 4.5324  138.365 4.5573  1.975128       6.427382  
1 1 1 -15 43  14 o 47.056  3.6557  1210.40    184.855  1528.43    261.814  894.266    261.035  52.782  4.6264  39.978  6.2317  12.80461       7.761253  
1 1 1 -15 43  15 o 276.917 4.9907  41842.36   1496.85  41517.79   2121.63  42164.02   2112.12  274.768 7.1291  276.950 7.0412  -2.181793      10.02008  
1 1 1 -15 43  16 o 144.829 3.3288  11404.56   522.166  11199.60   745.011  11602.46   732.068  143.214 4.8029  145.809 4.6355  -2.594070      6.675033  
1 1 1 -15 43  17 o 40.955  4.4509  926.306    194.257  1172.12    292.047  731.252    260.152  45.802  6.0339  35.807  6.9587  9.995159       9.210411  
1 1 1 -15 43  18 o 15.854  6.4108  61.854     170.547  -130.9458  258.415  210.633    227.006  15.734  7.1098  21.207  7.6800  -5.473166      10.46570  
1 1 1 -15 43  19 o 67.410  3.3400  2475.90    243.863  2330.98    368.143  2589.22    325.526  64.908  5.2824  68.646  4.4014  -3.737869      6.875781  
1 1 1 -15 43  20 o 88.301  3.2172  4249.54    307.689  4453.46    473.616  4100.63    404.735  89.897  4.8825  86.520  4.3190  3.376968       6.518640  
1 1 1 -15 43  21 o 11.677  5.4505  -156.8437  169.889  -128.8186  276.589  -173.8230  215.288  16.297  7.3606  13.419  6.2200  2.878176       9.636740  
1 1 1 -15 43  22 o 106.295 3.1645  6170.29    364.328  6844.98    544.725  5624.18    490.073  111.477 4.5115  101.061 4.4772  10.41581       6.356053  
1 1 1 -15 43  23 o 45.329  2.1941  1117.94    107.724  1115.40    118.793  1129.73    255.564  45.189  2.4361  44.756  5.3798  0.4324608      5.905678  
1 1 1 -15 43  24 o 68.745  3.5995  2602.52    267.081  2493.86    530.408  2639.43    309.131  65.447  7.6255  69.044  4.1531  -3.596817      8.683123  
1 1 1 -15 43  25 o 46.899  4.6478  1236.10    232.984  1318.26    464.984  1208.56    269.218  45.934  9.6528  46.037  5.5086  -0.1025810     11.11397  
1 1 1 -15 43  26 o 19.960  7.3654  203.538    210.214  596.234    420.352  72.575     242.749  30.453  10.503  17.856  7.4764  12.59706       12.89197  
1 1 1 -15 43  27 o 35.528  7.1922  783.794    267.263  929.867    459.023  708.877    328.731  36.034  10.862  32.653  9.0039  3.381554       14.10826  
1 1 1 -15 43  28 o 33.487  9.0098  759.767    333.951  801.206    465.315  715.752    479.563  32.872  11.055  31.212  11.180  1.659229       15.72313  
1 1 1 -15 43  29 f 26.672  9.2943  491.034    329.599  803.280    460.786  163.888    471.652  32.166  11.000  22.560  9.9356  9.606058       14.82302  
1 1 1 -15 43  30 o 22.290  8.9465  291.037    329.487  161.990    461.293  425.448    470.782  21.969  9.7427  25.301  10.487  -3.331734      14.31434  
1 1 1 -15 43  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 44  1  o 166.206 4.9407  14995.52   889.419  14964.88   1255.05  15026.43   1260.63  165.839 6.9872  166.178 7.0040  -0.3387909     9.893238  
1 1 1 -15 44  2  o 4.9592  2.1681  -5.2038    22.098   110.437    83.706   -13.8667   22.910   14.495  4.6809  4.6393  2.1047  9.855366       5.132295  
1 1 1 -15 44  3  o 282.604 5.2383  43367.32   1603.39  44587.44   1848.85  39665.61   3220.34  286.439 5.9594  269.031 11.052  17.40771       12.55606  
1 1 1 -15 44  4  o 124.121 3.1200  8351.29    419.436  8523.11    479.007  7786.51    868.446  125.374 3.5275  119.450 6.7400  5.924080       7.607311  
1 1 1 -15 44  5  o 241.229 4.7969  31588.44   1253.33  31271.54   1355.18  33462.11   3295.23  239.964 5.2141  246.334 12.390  -6.370209      13.44264  
1 1 1 -15 44  6  o 262.962 5.1412  37555.35   1464.30  37092.50   1730.46  38722.47   2747.89  261.181 6.1171  266.089 9.5346  -4.908112      11.32817  
1 1 1 -15 44  7  o 242.258 4.4208  31854.59   1159.99  31667.67   1337.76  32421.04   2328.77  241.455 5.1153  243.590 8.8267  -2.134613      10.20181  
1 1 1 -15 44  8  o 66.618  2.9620  2405.97    213.720  2258.82    252.451  2778.23    401.534  64.429  3.6324  71.315  5.2350  -6.885925      6.371784  
1 1 1 -15 44  9  o 321.393 6.0298  56210.64   2098.99  56276.98   2761.28  56119.84   3230.47  321.012 7.9418  320.060 9.3189  0.9525146      12.24395  
1 1 1 -15 44  10 o 167.987 4.0763  15320.33   741.680  15448.64   905.499  15058.74   1292.86  168.589 4.9589  166.115 7.1858  2.474701       8.730779  
1 1 1 -15 44  11 o 133.450 3.1726  9660.96    458.567  9691.08    645.364  9630.24    651.705  133.547 4.4617  133.121 4.5199  0.4257507      6.351112  
1 1 1 -15 44  12 o 249.490 4.8889  33868.55   1321.08  33712.96   1751.65  34073.80   2011.85  248.465 6.5090  249.471 7.4457  -1.006302      9.889646  
1 1 1 -15 44  13 o 71.791  2.9974  2796.85    233.064  2730.35    327.052  2865.47    332.214  70.728  4.2896  72.467  4.2512  -1.739914      6.039298  
1 1 1 -15 44  14 o 149.133 3.3341  12081.07   538.547  12017.06   760.513  12145.46   762.732  148.510 4.7280  149.303 4.7166  -0.7935181     6.678403  
1 1 1 -15 44  15 o 100.604 3.1120  5498.40    339.098  5396.52    516.162  5575.77    449.776  99.454  4.7917  101.192 4.1037  -1.738022      6.308809  
1 1 1 -15 44  16 f 66.572  3.5265  2417.88    253.368  2218.07    372.417  2590.06    345.706  63.415  5.4758  68.721  4.6723  -5.306416      7.198299  
1 1 1 -15 44  17 o 48.840  4.0309  1309.39    211.325  1321.32    324.092  1300.57    278.729  48.600  6.3056  48.415  5.4077  0.1845627      8.306844  
1 1 1 -15 44  18 o 32.448  5.6245  594.806    190.504  618.330    293.914  577.763    250.169  32.632  8.2973  31.630  7.4290  1.002108       11.13708  
1 1 1 -15 44  19 o 98.529  3.0698  5285.43    327.599  5431.21    482.725  5160.96    446.037  99.582  4.4756  97.128  4.2399  2.453316       6.165026  
1 1 1 -15 44  20 o 92.942  3.1475  4707.60    316.846  4723.63    474.461  4694.70    425.676  92.616  4.7458  92.578  4.2452  0.3790283E-01  6.367459  
1 1 1 -15 44  21 o 43.524  1.9906  1028.87    93.837   1047.91    100.551  900.397    261.180  43.916  2.1139  39.760  6.2730  4.156666       6.619565  
1 1 1 -15 44  22 o 88.254  3.2194  4255.82    307.734  4275.96    466.978  4240.36    409.138  87.812  4.9299  87.788  4.3029  0.2314758E-01  6.543596  
1 1 1 -15 44  23 o 81.043  2.8028  3584.85    246.024  3531.17    576.986  3596.78    271.989  78.675  6.8391  81.108  3.0961  -2.433235      7.507293  
1 1 1 -15 44  24 o 38.172  2.2618  796.364    93.098   1177.90    440.189  778.499    95.253   43.764  9.5545  37.728  2.3426  6.036148       9.837461  
1 1 1 -15 44  25 o 60.010  3.9017  1998.98    252.219  1900.18    499.246  2032.84    292.258  56.075  8.4853  60.274  4.5095  -4.198521      9.609145  
1 1 1 -15 44  26 o 40.012  1.7027  871.693    73.793   455.594    439.815  883.746    74.854   27.805  10.570  40.286  1.7155  -12.48162      10.70812  
1 1 1 -15 44  27 o 24.291  8.1836  366.516    254.989  843.542    436.126  118.757    314.308  34.451  10.628  20.016  8.4508  14.43478       13.57817  
1 1 1 -15 44  28 o 23.215  8.9687  309.401    320.077  25.180     442.275  621.972    463.808  20.966  9.4022  29.491  10.929  -8.525389      14.41668  
1 1 1 -15 44  29 o 31.567  9.3351  709.332    341.485  616.581    477.328  806.571    488.740  28.724  10.989  31.893  11.301  -3.168730      15.76349  
1 1 1 -15 44  30 o 40.126  11.419  1321.35    520.003  0.0000     0.0000   1321.35    520.003  ?       ?       40.126  11.419  0.000000       11.41887  
1 1 1 -15 45  1  o 216.530 5.8473  25478.80   1371.33  27373.77   1938.69  23581.23   1940.03  224.102 7.9872  207.890 8.6160  16.21213       11.74859  
1 1 1 -15 45  2  o 39.808  3.0018  863.852    128.475  868.342    137.817  834.068    354.980  39.893  3.2170  38.342  8.7419  1.550430       9.315053  
1 1 1 -15 45  3  o 279.710 4.9617  42477.07   1503.16  42343.19   1732.73  42884.30   3021.89  279.151 5.7309  279.977 9.9652  -0.8261414     11.49557  
1 1 1 -15 45  4  o 301.098 5.4316  49250.08   1771.36  49196.78   2042.76  49411.66   3556.50  300.780 6.2705  300.170 10.939  0.6093750      12.60890  
1 1 1 -15 45  5  o 30.788  1.5544  514.799    51.666   508.841    52.330   745.127    325.351  30.608  1.5840  36.234  8.4461  -5.626715      8.593358  
1 1 1 -15 45  6  o 200.613 3.9591  21834.09   860.246  22433.94   991.314  20004.93   1731.07  203.297 4.5021  191.437 8.3487  11.85989       9.485241  
1 1 1 -15 45  7  o 172.837 3.3235  16199.02   622.161  15907.07   775.164  16727.61   1043.04  171.206 4.1803  175.432 5.4893  -4.226715      6.899808  
1 1 1 -15 45  8  o 81.848  2.5157  3630.88    223.020  3841.68    351.573  3488.94    288.495  84.144  3.8577  80.208  3.3209  3.935936       5.090163  
1 1 1 -15 45  9  o 142.068 3.8000  10952.81   584.723  12118.51   983.142  10314.79   727.347  149.198 6.0839  137.777 4.8741  11.42085       7.795589  
1 1 1 -15 45  10 o 110.124 3.3810  6579.50    403.273  6339.17    502.306  7015.31    676.419  108.034 4.2928  113.543 5.5003  -5.509010      6.977195  
1 1 1 -15 45  11 f 268.995 4.8850  39356.96   1423.25  38953.56   2012.11  39760.89   2013.46  267.016 6.9574  269.791 6.8904  -2.775513      9.791970  
1 1 1 -15 45  12 o 268.259 4.7603  39158.64   1383.12  37168.23   1954.47  41155.41   1957.60  260.659 6.9229  274.415 6.5864  -13.75565      9.555447  
1 1 1 -15 45  13 o 141.351 3.2674  10848.73   500.224  10591.52   709.321  11103.21   705.542  139.470 4.6956  142.821 4.5610  -3.351044      6.546094  
1 1 1 -15 45  14 f 46.352  3.9728  1177.33    197.524  1087.09    308.049  1240.35    257.405  44.044  6.6659  47.413  5.0923  -3.368790      8.388444  
1 1 1 -15 45  15 o 134.499 3.1941  9830.85    465.302  10708.05   672.066  9023.26    644.851  140.147 4.4275  128.610 4.6293  11.53677       6.405695  
1 1 1 -15 45  16 o 210.464 4.0376  24141.28   920.391  23545.32   1305.68  24729.92   1297.62  207.143 5.8196  212.374 5.6413  -5.230820      8.105064  
1 1 1 -15 45  17 o 146.968 3.3414  11754.58   531.894  11847.36   764.393  11667.49   740.595  147.167 4.7955  146.080 4.6808  1.086899       6.701284  
1 1 1 -15 45  18 o 68.645  3.2880  2565.84    244.465  2525.34    359.701  2600.61    333.262  67.697  4.9398  68.804  4.4967  -1.106857      6.679950  
1 1 1 -15 45  19 o 13.769  5.9976  -26.6414   167.729  -116.4463  258.411  38.738     220.486  15.884  7.1499  17.083  7.1368  -1.199148      10.10225  
1 1 1 -15 45  20 o 53.784  3.8401  1589.46    222.231  1797.13    353.912  1454.28    285.544  56.695  5.8473  51.113  5.2317  5.582474       7.846123  
1 1 1 -15 45  21 o 12.196  5.6085  -121.1912  170.091  -53.2740   274.653  -163.4445  216.633  17.260  7.5920  13.595  6.2799  3.664249       9.852736  
1 1 1 -15 45  22 o 65.747  3.5317  2373.34    250.576  2308.18    387.913  2419.99    328.249  64.163  5.6391  66.076  4.6156  -1.913200      7.287226  
1 1 1 -15 45  23 o 51.372  2.4122  1437.74    134.218  1379.90    157.231  1593.08    257.679  50.179  2.9054  53.511  4.4874  -3.331444      5.345843  
1 1 1 -15 45  24 o 13.411  1.5278  98.921     21.795   -95.4869   397.118  99.508     21.828   19.992  8.9414  13.452  1.5252  6.540725       9.070587  
1 1 1 -15 45  25 o 16.459  6.8779  51.747     204.856  103.837    406.193  33.979     237.236  22.423  9.5431  17.141  7.2940  5.281956       12.01136  
1 1 1 -15 45  26 o 24.366  1.3152  323.553    34.581   301.742    49.000   345.196    48.810   23.438  1.9479  25.103  1.8073  -1.664589      2.657167  
1 1 1 -15 45  27 o 15.655  7.0298  -56.0190   248.110  -35.6782   421.754  -66.7839   306.817  20.201  9.1098  17.196  7.7608  3.005405       11.96743  
1 1 1 -15 45  28 o 26.351  1.3691  378.931    38.941   381.765    39.084   -6.3080    455.643  26.450  1.3690  20.843  9.4276  5.606647       9.526519  
1 1 1 -15 45  29 o 15.265  7.2050  -222.6441  311.440  -641.4688  435.312  216.525    445.760  15.332  7.5362  22.761  9.8458  -7.428808      12.39897  
1 1 1 -15 45  30 o 30.148  11.254  751.875    493.567  0.0000     0.0000   751.875    493.567  ?       ?       30.148  11.254  0.000000       11.25385  
1 1 1 -15 46  1  f 314.650 7.8494  53972.63   2675.08  54208.17   3782.23  53736.87   3784.04  314.297 11.111  312.907 11.165  1.389526       15.75148  
1 1 1 -15 46  2  o 257.436 4.6674  35974.68   1301.40  36107.52   1499.53  35569.31   2619.60  257.813 5.3701  255.047 9.4830  2.765182       10.89790  
1 1 1 -15 46  3  o 225.653 4.3476  27632.37   1062.59  27606.13   1223.53  27712.88   2143.36  225.470 5.0102  225.268 8.7847  0.2022705      10.11302  
1 1 1 -15 46  4  o 222.787 4.8320  26949.54   1165.98  26855.53   1281.28  27402.49   2812.45  222.337 5.3206  222.957 11.687  -0.6203461     12.84128  
1 1 1 -15 46  5  o 172.729 3.7071  16182.96   693.534  17040.31   798.041  13537.50   1401.84  177.210 4.1578  157.279 8.2581  19.93094       9.245746  
1 1 1 -15 46  6  o 129.819 3.0719  9137.12    431.939  8804.90    495.787  10183.54   879.902  127.410 3.5927  136.839 5.9368  -9.428848      6.939243  
1 1 1 -15 46  7  o 445.703 7.1697  108287.50  3461.11  108104.80  4206.35  108670.40  6090.44  444.624 8.7346  443.417 12.681  1.206879       15.39837  
1 1 1 -15 46  8  o 119.275 2.9408  7713.71    379.915  7682.39    533.760  7745.86    540.873  118.963 4.1425  119.451 4.1806  -0.4877701     5.885376  
1 1 1 -15 46  9  o 134.190 3.5557  9770.51    516.787  11074.31   905.861  9141.43    629.229  142.627 5.8640  129.725 4.4783  12.90193       7.378443  
1 1 1 -15 46  10 o 68.083  2.7186  2513.45    200.473  2546.80    314.582  2490.65    260.138  68.337  4.2716  67.649  3.5629  0.6880722      5.562437  
1 1 1 -15 46  11 o 149.878 3.2634  12190.76   529.758  12267.06   748.940  12114.35   749.444  150.191 4.6040  149.249 4.6362  0.9421539      6.533803  
1 1 1 -15 46  12 o 221.562 4.1719  26688.90   1001.16  24797.24   1414.70  28586.74   1417.01  213.084 6.1298  228.913 5.7152  -15.82867      8.380791  
1 1 1 -15 46  13 o 209.374 4.0497  23843.53   918.361  23341.64   1295.53  24350.45   1302.02  206.693 5.7869  211.143 5.6934  -4.449127      8.118081  
1 1 1 -15 46  14 o 117.092 3.0802  7446.87    390.635  7720.83    557.411  7182.47    547.603  119.057 4.3226  114.819 4.4033  4.238243       6.170458  
1 1 1 -15 46  15 o 74.533  3.2029  3019.47    258.564  3596.21    393.260  2580.31    343.168  81.075  4.4960  68.608  4.6454  12.46645       6.464861  
1 1 1 -15 46  16 o 30.357  6.1885  524.639    196.577  685.939    284.331  376.942    272.077  34.509  7.7916  26.264  8.4347  8.245180       11.48273  
1 1 1 -15 46  17 f 18.224  6.7218  146.405    175.042  -221.2399  271.459  408.066    229.012  15.088  6.9906  26.740  7.5669  -11.65188      10.30180  
1 1 1 -15 46  18 o 47.999  4.1174  1267.86    211.983  1709.57    323.938  937.042    280.343  55.495  5.4601  40.648  6.5935  14.84644       8.560809  
1 1 1 -15 46  19 o 45.852  4.2064  1159.86    206.574  1389.05    308.328  973.193    278.260  49.829  5.8228  41.441  6.4060  8.387722       8.656886  
1 1 1 -15 46  20 o 24.554  6.6506  347.586    181.239  465.181    287.286  269.842    233.589  28.412  8.5992  22.730  7.8298  5.681034       11.62978  
1 1 1 -15 46  21 o 31.378  5.9433  564.829    194.593  141.393    316.115  823.182    246.921  21.617  8.7325  37.960  6.2212  -16.34326      10.72194  
1 1 1 -15 46  22 o 29.286  6.4128  499.142    197.780  490.322    331.336  504.025    246.516  29.035  9.3062  29.204  7.6881  -0.1691093     12.07120  
1 1 1 -15 46  23 o 64.228  3.3759  2266.60    234.025  3444.21    499.950  1936.17    264.830  78.117  5.9538  59.123  4.1622  18.99377       7.264376  
1 1 1 -15 46  24 o 18.388  1.8513  185.709    36.369   59.290     406.218  186.730    36.516   22.076  9.4729  18.439  1.8535  3.636913       9.652549  
1 1 1 -15 46  25 o 39.574  4.8142  889.980    202.099  722.598    337.760  983.327    252.234  33.820  9.0449  41.205  5.8132  -7.384731      10.75191  
1 1 1 -15 46  26 o 19.762  7.0739  213.555    191.941  -128.9820  419.028  304.513    215.927  19.394  8.8758  22.581  7.5309  -3.187675      11.64022  
1 1 1 -15 46  27 o 44.627  7.4182  1238.58    345.980  987.078    478.268  1514.67    501.110  36.771  11.088  46.942  10.151  -10.17137      15.03288  
1 1 1 -15 46  28 o 19.310  8.3078  91.681     313.924  246.127    435.439  -75.4681   452.992  23.432  9.9228  20.068  9.2006  3.364378       13.53193  
1 1 1 -15 46  29 o 29.500  9.3144  623.130    332.876  911.948    466.866  324.474    474.750  33.908  11.062  24.337  10.336  9.571274       15.13997  
1 1 1 -15 46  30 o 31.987  11.422  861.445    500.105  0.0000     0.0000   861.445    500.105  ?       ?       31.987  11.422  0.000000       11.42165  
1 1 1 -15 47  1  o 176.797 5.1246  16977.87   981.304  17188.02   1385.43  16766.30   1390.13  177.630 7.2011  175.421 7.3165  2.209274       10.26581  
1 1 1 -15 47  2  o 246.839 4.5430  33073.87   1214.59  33519.70   1399.25  31711.24   2446.25  248.407 5.2007  240.783 9.3800  7.623672       10.72533  
1 1 1 -15 47  3  o 215.352 4.3329  25169.39   1010.64  25089.91   1187.76  25377.86   1923.69  214.922 5.1024  215.637 8.2365  -0.7144470     9.688890  
1 1 1 -15 47  4  o 187.095 3.7375  18987.81   757.388  18654.75   870.774  20022.73   1534.96  185.394 4.3365  191.670 7.3939  -6.275955      8.571722  
1 1 1 -15 47  5  o 269.391 4.8100  39411.65   1403.44  39084.29   1617.96  40406.44   2820.44  268.141 5.5710  271.640 9.5864  -3.498627      11.08759  
1 1 1 -15 47  6  o 180.974 3.9630  17772.34   776.805  17228.45   850.873  20494.67   1903.61  178.141 4.4099  193.518 9.0821  -15.37726      10.09614  
1 1 1 -15 47  7  o 303.008 5.2784  49911.27   1732.30  48649.98   2448.58  51175.15   2451.11  298.556 7.5721  306.263 7.3892  -7.707123      10.58007  
1 1 1 -15 47  8  o 228.773 4.1883  28417.06   1037.81  27461.95   1465.43  29378.04   1469.94  224.583 6.0245  232.323 5.8417  -7.740036      8.391610  
1 1 1 -15 47  9  o 84.869  3.3678  3907.96    309.577  3454.20    544.785  4124.37    376.225  79.347  6.3933  87.155  3.9855  -7.808510      7.533852  
1 1 1 -15 47  10 o 75.599  2.8697  3099.79    234.977  3247.19    341.738  2967.60    323.617  77.205  4.1014  73.801  4.0642  3.404259       5.774032  
1 1 1 -15 47  11 o 100.483 2.9352  5477.90    319.449  5404.95    448.009  5553.34    455.627  99.721  4.1479  101.079 4.1618  -1.358368      5.875836  
1 1 1 -15 47  12 o 23.256  5.8722  306.777    147.941  292.145    201.137  324.022    218.364  23.164  7.2293  24.324  7.5229  -1.160395      10.43350  
1 1 1 -15 47  13 o 227.037 4.2071  28054.67   1034.54  28268.35   1468.48  27844.11   1457.69  227.328 5.9641  225.615 5.9652  1.712677       8.435334  
1 1 1 -15 47  14 o 140.799 3.2583  10773.49   496.891  10620.06   706.364  10923.78   699.112  139.536 4.6738  141.541 4.5603  -2.005524      6.530006  
1 1 1 -15 47  15 o 229.766 4.2943  28787.45   1068.68  28800.29   1516.41  28774.78   1506.32  229.012 6.1135  228.931 6.0750  0.8158875E-01  8.618572  
1 1 1 -15 47  16 o 200.178 3.8930  21838.69   844.052  21495.47   1200.71  22173.97   1186.76  197.931 5.6008  201.101 5.4485  -3.169678      7.813803  
1 1 1 -15 47  17 o 61.014  3.6068  2035.46    237.292  2291.99    343.244  1800.62    328.410  64.498  4.9512  57.028  5.3805  7.469513       7.311916  
1 1 1 -15 47  18 o 109.227 3.1157  6495.50    368.596  6333.39    531.507  6645.71    511.610  107.530 4.5636  110.223 4.2855  -2.693054      6.260344  
1 1 1 -15 47  19 f 87.178  3.1432  4140.72    296.794  3648.70    432.913  4577.06    407.683  81.334  4.9377  91.460  4.1155  -10.12623      6.427892  
1 1 1 -15 47  20 o 95.662  3.0473  4988.44    315.736  4929.67    436.488  5052.94    457.272  94.805  4.2508  95.940  4.4005  -1.134628      6.118336  
1 1 1 -15 47  21 o 98.503  3.1687  5297.96    338.070  5386.55    504.633  5225.83    455.361  98.833  4.7141  97.490  4.3124  1.342781       6.389082  
1 1 1 -15 47  22 o 83.804  3.2448  3841.13    294.529  4346.27    446.586  3452.29    391.819  88.563  4.6722  78.932  4.6031  9.631584       6.558810  
1 1 1 -15 47  23 o 52.822  2.4161  1520.35    138.229  1551.55    153.648  1387.91    316.591  53.327  2.6602  49.355  6.0490  3.971832       6.608133  
1 1 1 -15 47  24 o 41.620  2.2334  946.688    100.313  667.972    444.618  961.637    102.968  32.757  10.801  41.941  2.2752  -9.184628      11.03793  
1 1 1 -15 47  25 o 43.055  4.7473  1052.40    217.699  750.967    451.782  1143.56    248.445  33.680  10.874  44.687  5.2321  -11.00706      12.06763  
1 1 1 -15 47  26 o 42.172  1.9643  971.145    89.723   825.250    453.452  977.090    91.533   34.212  10.879  42.294  1.9981  -8.081970      11.06063  
1 1 1 -15 47  27 o 41.686  7.8786  1103.49    342.682  717.865    473.353  1528.17    496.744  31.542  11.128  47.195  10.027  -15.65342      14.97911  
1 1 1 -15 47  28 o 20.471  8.5456  166.405    315.797  -216.7667  437.035  585.073    456.830  18.440  8.6508  28.616  10.798  -10.17582      13.83561  
1 1 1 -15 47  29 o 28.393  9.3366  577.243    332.315  626.327    464.402  525.735    475.733  28.672  10.870  27.074  10.790  1.597889       15.31637  
1 1 1 -15 47  30 o 31.336  11.312  819.390    491.894  0.0000     0.0000   819.390    491.894  ?       ?       31.336  11.312  0.000000       11.31174  
1 1 1 -15 48  1  o 173.546 5.4729  16369.11   1028.73  17168.64   1319.88  15131.69   1642.01  177.551 6.8634  166.076 9.1639  11.47496       11.44919  
1 1 1 -15 48  2  f 230.356 4.0997  28794.75   1022.88  28409.95   1177.33  29979.44   2065.78  228.732 4.7523  234.354 8.1385  -5.621643      9.424375  
1 1 1 -15 48  3  o 170.486 3.6701  15766.33   677.695  15643.16   789.960  16109.65   1318.88  169.768 4.2962  171.951 7.0816  -2.182648      8.282858  
1 1 1 -15 48  4  o 171.109 3.3948  15878.50   629.155  15127.58   722.147  18243.95   1281.70  166.968 3.9932  183.067 6.4640  -16.09926      7.597997  
1 1 1 -15 48  5  o 58.827  2.2659  1875.35    144.376  1874.19    210.604  1876.38    198.306  58.692  3.3266  58.742  3.1281  -0.4996872E-01 4.566356  
1 1 1 -15 48  6  o 46.128  2.0228  1152.94    101.062  1216.47    113.107  901.385    225.062  47.379  2.2041  40.383  5.2713  6.996174       5.713592  
1 1 1 -15 48  7  o 221.536 4.1258  26644.93   989.982  27145.31   1398.47  26142.29   1401.63  223.339 5.7812  219.151 5.9050  4.188171       8.263855  
1 1 1 -15 48  8  o 211.961 4.0043  24392.82   919.298  24422.15   1298.82  24363.37   1301.35  211.818 5.6613  211.560 5.6792  0.2584686      8.018984  
1 1 1 -15 48  9  o 141.723 3.7204  10904.10   571.077  11200.77   995.566  10758.61   697.182  143.290 6.4148  140.685 4.5754  2.604797       7.879327  
1 1 1 -15 48  10 o 186.206 4.3694  18848.88   881.214  19975.79   1077.19  16568.82   1532.22  191.541 5.1923  173.763 8.1413  17.77721       9.656103  
1 1 1 -15 48  11 o 112.007 2.9940  6807.84    363.219  7215.86    513.308  6398.66    514.031  115.211 4.1135  108.464 4.3755  6.746971       6.005529  
1 1 1 -15 48  12 o 126.536 3.0968  8692.80    424.419  9012.66    600.606  8373.76    599.834  128.692 4.3089  124.025 4.4653  4.667389       6.205294  
1 1 1 -15 48  13 o 83.931  3.0348  3825.55    275.883  3608.86    396.191  4029.53    384.391  81.259  4.5195  86.038  4.1249  -4.779869      6.118826  
1 1 1 -15 48  14 o 113.669 3.0741  7020.10    378.470  7039.66    539.294  7001.11    531.271  113.636 4.3817  113.334 4.3280  0.3023834      6.158774  
1 1 1 -15 48  15 o 71.035  3.2380  2743.87    249.123  3059.51    377.353  2500.01    331.676  74.699  4.6878  67.519  4.5622  7.180206       6.541328  
1 1 1 -15 48  16 o 149.098 3.3983  12099.05   548.789  12022.24   796.551  12168.44   757.157  148.206 4.9622  149.190 4.6857  -0.9838562     6.824938  
1 1 1 -15 48  17 o 58.745  3.7331  1889.21    236.292  1798.82    347.665  1966.82    322.129  56.901  5.7186  59.687  5.0297  -2.785805      7.615768  
1 1 1 -15 48  18 o 87.727  3.2433  4192.42    308.173  4362.90    449.856  4041.68    423.026  89.092  4.6783  85.769  4.5702  3.322296       6.540111  
1 1 1 -15 48  19 o 19.400  6.6773  192.674    169.870  301.958    267.760  119.063    219.755  24.127  8.3788  18.729  7.3747  5.397511       11.16206  
1 1 1 -15 48  20 o 40.019  4.7964  893.785    203.753  1063.55    306.047  758.636    273.066  43.131  6.7746  36.161  7.2248  6.970188       9.904245  
1 1 1 -15 48  21 o 39.942  4.8216  892.805    204.365  987.798    331.327  834.472    259.639  41.103  7.7260  38.096  6.5273  3.007481       10.11417  
1 1 1 -15 48  22 o 42.691  4.7138  1019.67    214.323  543.419    351.295  1302.04    270.498  30.282  9.5694  48.122  5.2763  -17.83981      10.92764  
1 1 1 -15 48  23 o 74.090  3.5816  3013.88    287.412  3367.11    438.729  2748.32    380.405  77.542  5.2549  70.116  5.0427  7.425728       7.283047  
1 1 1 -15 48  24 o 62.174  2.6918  2113.47    181.266  2458.46    507.813  2063.09    194.049  64.765  7.3705  61.377  2.9190  3.387985       7.927504  
1 1 1 -15 48  25 o 16.082  6.7474  49.232     198.364  -226.2626  404.169  136.650    227.671  18.348  8.5111  18.751  7.4671  -0.4029675     11.32235  
1 1 1 -15 48  26 o 19.377  1.9187  206.943    39.738   618.825    428.683  203.373    39.910   30.163  10.595  19.203  1.9458  10.96003       10.77179  
1 1 1 -15 48  27 o 48.228  6.9902  1429.25    354.495  1277.98    491.043  1593.90    512.295  42.226  10.718  47.984  10.173  -5.758839      14.77721  
1 1 1 -15 48  28 o 16.480  7.2477  9.8272     250.221  -14.5051   301.557  63.610     448.331  17.456  7.8004  21.270  9.5077  -3.814747      12.29805  
1 1 1 -15 48  29 o 18.712  8.2411  58.407     324.517  -12.1450   462.212  126.994    455.730  20.363  9.3204  21.685  9.6471  -1.322195      13.41401  
1 1 1 -15 48  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 49  1  f 140.133 4.5535  10662.91   691.122  10781.82   974.503  10542.58   980.310  140.732 6.3932  139.149 6.5045  1.582855       9.120420  
1 1 1 -15 49  2  o 190.886 3.7382  19768.10   772.868  19499.08   845.254  21140.02   1908.80  189.546 4.1172  196.565 8.9657  -7.018799      9.865830  
1 1 1 -15 49  3  o 324.558 5.7002  57286.71   2003.79  57552.75   2311.08  56481.08   4021.71  325.088 6.5636  320.163 11.598  4.925720       13.32616  
1 1 1 -15 49  4  o 216.603 4.3908  25473.41   1030.10  25189.35   1118.33  27063.40   2645.87  215.339 4.7949  221.758 11.016  -6.419174      12.01418  
1 1 1 -15 49  5  o 280.540 5.0871  42775.10   1545.73  42562.61   1782.49  43419.41   3103.89  279.673 5.8845  281.128 10.194  -1.455414      11.77022  
1 1 1 -15 49  6  f 159.545 3.0201  13803.54   521.885  13087.45   672.701  14886.12   827.114  155.273 4.0000  165.536 4.6132  -10.26244      6.105852  
1 1 1 -15 49  7  o 125.274 2.9338  8510.51    398.075  8957.87    561.830  8059.52    564.103  128.447 4.0384  121.817 4.2754  6.629692       5.881165  
1 1 1 -15 49  8  o 176.492 3.5815  16906.53   684.644  17369.35   966.996  16441.32   969.475  178.704 4.9960  173.841 5.1489  4.862808       7.174338  
1 1 1 -15 49  9  o 140.645 3.7199  10741.14   566.666  10715.54   987.975  10753.69   691.764  140.093 6.5112  140.636 4.5414  -0.5425110     7.938494  
1 1 1 -15 49  10 o 164.894 3.4726  14762.93   620.188  14319.48   875.007  15210.59   879.164  162.177 4.9814  167.169 4.8556  -4.992142      6.956393  
1 1 1 -15 49  11 o 138.336 3.1789  10389.26   476.301  10217.44   670.428  10564.35   676.800  137.015 4.5177  139.327 4.4849  -2.311569      6.365823  
1 1 1 -15 49  12 o 132.838 3.1176  9582.20    448.548  9718.75    641.429  9451.53    627.487  133.596 4.4329  131.752 4.3972  1.843597       6.243877  
1 1 1 -15 49  13 o 84.131  3.0367  3844.47    276.713  3957.34    394.464  3735.11    388.271  85.125  4.2922  82.684  4.3508  2.440575       6.111717  
1 1 1 -15 49  14 f 105.955 3.0807  6100.62    353.539  6291.16    510.110  5924.50    490.430  107.408 4.3849  104.238 4.3439  3.170219       6.172267  
1 1 1 -15 49  15 o 128.314 3.1641  8952.51    439.742  8986.48    631.162  8920.47    613.013  128.282 4.5426  127.837 4.4274  0.4454346      6.343246  
1 1 1 -15 49  16 o 34.382  4.8976  659.682    177.226  838.868    271.995  527.481    233.629  38.423  6.7838  30.263  7.2271  8.159922       9.912148  
1 1 1 -15 49  17 o 89.846  3.1435  4394.13    305.903  4855.25    448.070  3991.58    418.651  94.214  4.3910  85.276  4.5491  8.937538       6.322593  
1 1 1 -15 49  18 o 105.110 3.0596  6015.52    348.315  5975.49    503.319  6052.32    482.524  104.447 4.4492  105.172 4.2359  -0.7250443     6.143128  
1 1 1 -15 49  19 o 29.393  1.1184  468.252    35.604   69.568     269.267  475.346    35.919   19.167  7.9368  29.615  1.1198  -10.44759      8.015423  
1 1 1 -15 49  20 f 52.661  3.9951  1528.42    226.170  1654.64    347.641  1435.79    297.813  54.229  6.0204  50.629  5.5204  3.599834       8.168199  
1 1 1 -15 49  21 o 43.038  4.5683  1032.02    209.693  1068.58    323.478  1005.52    275.393  42.958  7.2076  41.976  6.2478  0.9820671      9.538605  
1 1 1 -15 49  22 o 24.004  7.3705  331.730    210.033  283.897    353.446  357.843    261.143  24.813  9.4651  25.158  8.2768  -0.3456440     12.57346  
1 1 1 -15 49  23 o 50.946  4.4791  1447.55    244.649  1477.38    386.876  1427.68    315.811  50.313  7.3135  50.053  5.9414  0.2601471      9.422763  
1 1 1 -15 49  24 o 9.0250  2.7499  44.744     29.307   321.009    417.106  43.373     29.380   25.952  10.179  8.9173  2.7597  17.03464       10.54620  
1 1 1 -15 49  25 o 28.644  6.7425  499.085    205.707  135.506    440.372  600.561    232.650  23.019  9.8699  31.352  7.0253  -8.333221      12.11486  
1 1 1 -15 49  26 o 23.873  1.9324  313.177    49.536   717.305    448.000  308.175    49.842   31.995  10.847  23.675  1.9614  8.320227       11.02294  
1 1 1 -15 49  27 o 16.081  7.4411  -152.1965  306.110  -366.7402  430.469  67.273     435.383  17.284  8.2477  21.415  9.4826  -4.130453      12.56756  
1 1 1 -15 49  28 o 20.794  8.7001  179.192    328.358  -10.3944   471.151  358.242    457.871  20.831  9.4865  24.955  10.343  -4.124678      14.03463  
1 1 1 -15 49  29 o 18.602  8.2489  43.171     330.618  -7.8834    477.604  90.148     458.131  20.596  9.4445  21.275  9.5531  -0.6783924     13.43351  
1 1 1 -15 50  1  o 81.525  3.4194  3605.15    301.939  3908.54    514.791  3446.05    372.796  84.582  5.6518  79.549  4.3432  5.033081       7.127864  
1 1 1 -15 50  2  f 85.379  2.6027  3951.36    240.682  3814.40    269.320  4494.57    536.362  83.875  2.9646  90.750  5.4826  -6.875214      6.232792  
1 1 1 -15 50  3  o 172.824 3.3867  16201.08   633.940  15687.43   727.707  17817.87   1291.06  170.013 3.9519  180.839 6.5915  -10.82645      7.685368  
1 1 1 -15 50  4  o 184.958 3.5839  18560.42   717.956  17403.05   824.775  22180.59   1458.69  179.031 4.2534  201.734 6.6760  -22.70294      7.915807  
1 1 1 -15 50  5  o 182.344 3.8119  18045.38   752.839  18150.09   881.383  17762.88   1447.73  182.800 4.4516  180.367 7.4107  2.432861       8.644979  
1 1 1 -15 50  6  o 73.988  2.7533  2968.14    220.641  3169.04    305.927  2750.36    318.523  76.414  3.6964  71.046  4.1574  5.367462       5.563029  
1 1 1 -15 50  7  o 68.976  2.8329  2580.09    211.643  2489.79    296.495  2673.90    302.202  67.587  4.0692  70.058  3.9992  -2.470306      5.705481  
1 1 1 -15 50  8  o 144.748 3.2897  11369.72   515.750  11760.12   727.928  10976.19   730.843  147.073 4.5697  142.064 4.7497  5.008850       6.591055  
1 1 1 -15 50  9  o 143.730 3.7510  11220.25   583.931  10999.79   1017.45  11328.52   713.055  141.874 6.6212  144.321 4.5617  -2.446808      8.040484  
1 1 1 -15 50  10 o 137.155 3.1582  10210.92   469.162  10083.57   663.176  10338.51   663.815  136.135 4.4977  137.853 4.4459  -1.717575      6.324185  
1 1 1 -15 50  11 o 111.605 2.9703  6761.11    359.044  6980.20    504.118  6535.57    511.492  113.278 4.1088  109.587 4.3093  3.691574       5.954212  
1 1 1 -15 50  12 o 132.783 3.1511  9576.88    453.184  9868.71    647.976  9297.46    634.049  134.593 4.4449  130.633 4.4812  3.959824       6.311810  
1 1 1 -15 50  13 o 150.947 3.3892  12387.30   554.108  12815.01   785.613  11963.89   781.657  153.248 4.7331  148.037 4.8750  5.210526       6.794683  
1 1 1 -15 50  14 o 25.966  6.2264  385.112    172.845  372.124    249.004  397.190    240.119  25.916  8.0364  26.543  7.8218  -0.6274776     11.21450  
1 1 1 -15 50  15 o 53.999  3.4701  1593.51    201.878  1691.49    299.418  1511.84    273.356  55.371  5.0481  52.357  4.8765  3.014355       7.018804  
1 1 1 -15 50  16 o 67.826  3.2091  2503.48    235.749  2435.80    352.214  2558.42    317.311  66.509  4.9244  68.301  4.3114  -1.791931      6.545080  
1 1 1 -15 50  17 o 37.202  4.8862  771.628    192.124  884.347    297.095  690.609    251.878  39.283  7.2498  34.683  6.9472  4.599155       10.04108  
1 1 1 -15 50  18 f 52.737  3.8948  1527.88    220.897  2042.87    336.431  1137.61    292.870  60.727  5.1640  44.931  6.1818  15.79591       8.054889  
1 1 1 -15 50  19 o 83.023  2.8123  3753.01    252.885  4329.04    423.586  3434.01    315.227  88.820  4.4031  79.265  3.6717  9.554375       5.733158  
1 1 1 -15 50  20 o 13.429  5.9808  -60.6515   175.688  26.847     265.786  -128.5507  234.133  18.232  7.7384  14.740  6.7030  3.492154       10.23781  
1 1 1 -15 50  21 o 46.117  4.7018  1186.01    231.567  1118.09    344.441  1242.03    312.809  43.806  7.5310  46.670  6.3534  -2.864311      9.852999  
1 1 1 -15 50  22 o 39.222  5.1488  868.742    213.442  553.761    362.991  1035.20    263.882  30.511  9.7366  42.628  5.8712  -12.11617      11.36978  
1 1 1 -15 50  23 o 49.594  4.7873  1379.51    253.956  1579.19    412.974  1258.08    322.047  51.841  7.5787  46.647  6.5551  5.194202       10.02028  
1 1 1 -15 50  24 o 25.130  1.5256  344.458    41.329   416.221    438.871  343.816    41.513   27.663  10.548  25.106  1.5340  2.557081       10.65925  
1 1 1 -15 50  25 o 11.593  5.5212  -217.9540  190.982  -514.8396  427.230  -143.8117  213.501  16.477  7.9540  13.386  6.2013  3.090924       10.08571  
1 1 1 -15 50  26 o 35.471  1.9133  688.979    73.236   685.112    76.594   730.213    250.100  35.352  2.0087  34.421  6.9480  0.9308434      7.232483  
1 1 1 -15 50  27 o 19.057  8.2873  60.231     319.147  287.507    457.539  -155.1351  445.390  24.418  10.247  19.310  8.9493  5.108490       13.60443  
1 1 1 -15 50  28 o 26.785  9.4472  495.481    341.136  27.146     488.529  941.169    476.571  21.413  9.7163  34.694  11.165  -13.28022      14.80104  
1 1 1 -15 50  29 o 22.868  9.1078  312.158    338.751  194.418    484.580  424.688    473.736  22.748  10.042  25.494  10.540  -2.746109      14.55764  
1 1 1 -15 51  1  o 121.902 4.3325  8069.95    572.028  8553.32    806.454  7580.51    811.508  125.347 5.9401  117.786 6.3849  7.560562       8.720793  
1 1 1 -15 51  2  o 100.615 2.6271  5487.91    286.286  5251.49    322.797  6359.21    619.694  98.407  3.0285  108.138 5.2909  -9.731575      6.096338  
1 1 1 -15 51  3  o 64.590  2.8748  2262.07    201.116  2326.25    224.635  2002.84    451.487  65.491  3.1668  60.186  7.0601  5.304977       7.737814  
1 1 1 -15 51  4  o 51.501  3.0323  1443.40    168.396  1439.21    186.854  1461.55    388.580  51.396  3.3754  51.256  7.1979  0.1397896      7.949997  
1 1 1 -15 51  5  o 116.711 2.5677  7384.62    324.581  6802.28    417.000  8279.81    517.010  111.967 3.4386  123.499 3.8651  -11.53192      5.173295  
1 1 1 -15 51  6  o 164.840 3.6171  14748.56   645.788  14826.21   872.317  14654.40   960.620  165.120 4.8776  164.084 5.4052  1.036316       7.280610  
1 1 1 -15 51  7  o 86.908  2.6312  4095.63    247.671  4037.62    370.660  4142.42    332.895  86.219  3.9692  87.358  3.5183  -1.139244      5.304049  
1 1 1 -15 51  8  o 101.719 2.7707  5612.06    305.258  5115.28    441.578  6066.74    422.455  97.014  4.2024  105.696 3.6902  -8.681221      5.592705  
1 1 1 -15 51  9  o 71.406  3.3727  2768.30    260.842  3076.95    464.564  2626.20    315.220  74.881  5.7725  69.374  4.2151  5.507782       7.147669  
1 1 1 -15 51  10 o 106.741 2.9201  6183.43    337.601  5995.50    476.995  6372.06    477.885  104.987 4.1948  108.247 4.0760  -3.260033      5.848956  
1 1 1 -15 51  11 o 92.041  2.7713  4597.75    276.274  4626.83    427.875  4576.95    361.804  92.193  4.2850  91.761  3.6404  0.4324722      5.622561  
1 1 1 -15 51  12 o 149.770 3.3654  12191.62   545.920  12659.17   775.335  11731.92   768.802  152.354 4.6986  146.636 4.8407  5.717453       6.746001  
1 1 1 -15 51  13 o 127.799 3.0765  8874.77    425.853  8713.68    607.991  9029.92    596.663  126.404 4.4409  128.709 4.2801  -2.305252      6.167677  
1 1 1 -15 51  14 o 110.396 3.0571  6624.42    365.540  6820.22    521.334  6435.08    512.678  111.813 4.3048  108.601 4.3585  3.212868       6.126020  
1 1 1 -15 51  15 o 82.463  3.0992  3698.09    276.810  3768.80    396.969  3631.17    386.192  82.951  4.4345  81.426  4.3952  1.525009       6.243607  
1 1 1 -15 51  16 o 75.682  3.1454  3117.11    257.829  3328.98    383.197  2941.86    348.515  77.872  4.5632  73.221  4.4152  4.651367       6.349578  
1 1 1 -15 51  17 o 136.672 3.2533  10174.86   481.586  10068.35   695.669  10272.88   667.343  135.513 4.7397  136.966 4.4985  -1.452774      6.534622  
1 1 1 -15 51  18 o 94.460  3.1517  4861.71    322.448  4535.27    469.260  5153.72    443.824  90.751  4.7911  97.020  4.2236  -6.269501      6.386948  
1 1 1 -15 51  19 o 165.129 3.7631  14915.37   673.047  14574.77   922.662  15302.73   983.956  162.473 5.2431  166.346 5.4613  -3.872757      7.570732  
1 1 1 -15 51  20 o 67.247  3.6298  2482.22    263.400  2212.69    388.606  2711.29    358.251  62.831  5.7750  69.963  4.7559  -7.132442      7.481290  
1 1 1 -15 51  21 o 46.669  4.3695  1210.37    218.297  1392.40    330.885  1070.09    290.482  49.439  6.3242  43.224  6.3980  6.214687       8.996124  
1 1 1 -15 51  22 o 20.623  7.6640  199.396    228.399  -165.8430  359.487  446.632    295.767  18.276  8.3088  27.644  8.7854  -9.368326      12.09211  
1 1 1 -15 51  23 o 19.234  7.3902  157.897    216.446  127.514    351.610  176.436    274.653  21.823  9.0558  20.982  8.2500  0.8407631      12.25028  
1 1 1 -15 51  24 o 47.515  4.5263  1273.25    230.125  726.984    484.704  1432.22    261.474  33.254  11.283  50.268  4.8633  -17.01382      12.28610  
1 1 1 -15 51  25 o 18.771  7.1250  170.952    199.661  -258.6147  442.136  280.992    223.777  18.729  8.7591  22.009  7.6589  -3.280115      11.63534  
1 1 1 -15 51  26 o 32.847  9.1460  722.284    337.399  1032.60    478.598  415.685    475.725  37.818  11.014  26.764  10.747  11.05384       15.38879  
1 1 1 -15 51  27 o 18.622  8.2058  27.049     322.195  192.835    461.520  -130.5652  450.002  23.181  10.023  19.572  9.0441  3.609245       13.50020  
1 1 1 -15 51  28 o 39.898  8.5535  1073.22    358.528  1300.33    510.626  852.397    503.520  41.004  11.187  32.606  11.480  8.397846       16.02921  
1 1 1 -15 51  29 f 23.806  9.2494  361.830    341.919  424.920    491.013  302.437    476.412  25.600  10.669  23.937  10.265  1.663025       14.80507  
1 1 1 -15 52  1  o 200.253 5.5370  21824.38   1200.94  21290.83   1696.69  22360.06   1700.09  197.278 7.9406  202.217 7.7622  -4.938248      11.10429  
1 1 1 -15 52  2  o 75.914  2.9433  3125.32    242.007  3022.05    283.070  3405.84    466.535  74.628  3.5020  78.923  5.4919  -4.295235      6.513481  
1 1 1 -15 52  3  o 177.546 3.4454  17104.28   662.542  16729.23   761.014  18278.73   1346.67  175.528 4.0029  183.027 6.7933  -7.498138      7.884892  
1 1 1 -15 52  4  f 145.693 3.3417  11516.95   527.315  11520.14   587.347  11503.69   1197.29  145.680 3.7224  144.831 7.6597  0.8483734      8.516327  
1 1 1 -15 52  5  o 86.059  2.5381  4015.37    236.578  3878.26    304.086  4225.62    376.556  84.542  3.3209  88.212  3.9412  -3.669548      5.153800  
1 1 1 -15 52  6  f 163.910 3.4384  14582.00   610.421  14291.98   860.592  14875.66   865.965  162.085 4.9021  165.372 4.8347  -3.286850      6.885108  
1 1 1 -15 52  7  o 196.209 3.7348  20907.39   793.699  19614.61   1120.24  22210.47   1124.69  189.745 5.4509  201.977 5.1412  -12.23230      7.492962  
1 1 1 -15 52  8  o 136.198 3.1953  10068.15   471.364  10479.84   649.963  9611.41    684.603  138.826 4.3226  132.893 4.7563  5.933395       6.427065  
1 1 1 -15 52  9  o 87.456  3.3133  4153.17    313.849  3966.54    554.163  4241.30    380.807  84.995  6.0594  88.327  3.9805  -3.332649      7.249875  
1 1 1 -15 52  10 o 22.742  5.4251  293.594    131.763  420.856    193.206  182.939    180.159  27.181  6.6234  19.487  6.8662  7.694550       9.540134  
1 1 1 -15 52  11 o 32.918  2.1479  590.132    76.161   1121.97    232.224  526.032    80.620   45.105  4.8285  31.045  2.4166  14.05994       5.399453  
1 1 1 -15 52  12 o 104.642 3.0116  5948.09    341.324  6285.39    487.651  5624.13    477.906  107.415 4.1916  101.585 4.3435  5.829445       6.036168  
1 1 1 -15 52  13 o 136.784 3.2621  10172.73   483.290  10624.55   695.048  9749.79    672.462  139.516 4.5996  133.638 4.6459  5.877365       6.537623  
1 1 1 -15 52  14 o 115.675 3.0644  7274.10    383.937  7053.05    550.210  7483.88    536.006  113.659 4.4694  117.130 4.2251  -3.470268      6.150368  
1 1 1 -15 52  15 o 76.265  3.2275  3164.89    266.603  3159.30    391.092  3169.74    364.391  75.837  4.7859  76.036  4.4440  -0.1992035     6.530937  
1 1 1 -15 52  16 o 72.558  3.1807  2866.08    249.963  3189.37    372.118  2600.27    337.425  76.207  4.5287  68.777  4.5554  7.429451       6.423471  
1 1 1 -15 52  17 o 110.088 3.1159  6599.70    371.536  6547.87    542.717  6645.41    509.699  109.305 4.5842  110.202 4.2702  -0.8975906     6.264972  
1 1 1 -15 52  18 o 60.328  3.6028  1994.41    234.337  2003.46    359.451  1987.73    309.038  59.972  5.5985  59.955  4.7992  0.1765060E-01  7.373973  
1 1 1 -15 52  19 o 45.078  2.6029  1109.62    126.543  1699.78    320.818  1000.89    137.708  55.174  5.4393  42.746  2.9932  12.42750       6.208509  
1 1 1 -15 52  20 o 15.909  6.5142  56.732     178.761  99.954     270.294  23.130     238.325  19.648  8.0238  17.269  7.3285  2.379030       10.86688  
1 1 1 -15 52  21 o 98.847  3.2159  5343.76    344.298  5045.05    506.388  5600.56    469.521  95.302  4.9226  100.806 4.3003  -5.504211      6.536423  
1 1 1 -15 52  22 o 43.203  5.6826  1061.41    259.455  1239.34    370.756  890.654    363.210  45.886  7.7351  38.282  8.9244  7.603924       11.81006  
1 1 1 -15 52  23 o 80.539  3.6698  3574.65    320.122  3383.97    494.842  3711.89    419.799  77.072  5.9746  81.455  4.7792  -4.383255      7.650921  
1 1 1 -15 52  24 o 89.822  3.3588  4454.33    326.767  5042.95    653.009  4257.71    377.419  92.962  6.5269  87.478  3.9834  5.483765       7.646413  
1 1 1 -15 52  25 o 32.274  7.4541  650.690    255.311  466.691    465.618  729.796    305.300  27.766  10.792  33.678  8.3983  -5.912043      13.67473  
1 1 1 -15 52  26 o 32.227  9.1707  698.573    335.407  406.653    476.276  985.788    472.421  26.557  10.722  36.847  10.999  -10.28988      15.36047  
1 1 1 -15 52  27 o 65.479  5.8007  2547.57    407.129  2622.77    580.187  2474.63    571.447  63.164  8.7125  61.127  8.8919  2.037552       12.44882  
1 1 1 -15 52  28 o 19.664  8.4875  110.658    329.770  284.216    471.378  -55.7103   461.510  23.907  10.230  20.103  9.2425  3.803497       13.78687  
1 1 1 -15 52  29 o 27.416  9.5176  541.351    345.472  462.396    497.616  614.815    480.002  26.119  10.800  28.324  10.972  -2.204529      15.39573  
1 1 1 -15 53  1  o 57.612  2.7750  1799.93    173.161  1725.53    191.619  2131.24    404.367  56.310  3.1546  62.240  6.0759  -5.930405      6.846004  
1 1 1 -15 53  2  o 115.959 3.3846  7296.67    425.085  7350.92    512.098  7176.44    762.298  116.337 4.0641  114.569 6.1658  1.768387       7.384725  
1 1 1 -15 53  3  o 155.569 3.4108  13133.82   574.714  13006.30   636.492  13696.70   1337.28  154.773 3.7969  158.171 7.8060  -3.397385      8.680407  
1 1 1 -15 53  4  o 170.974 3.5066  15866.65   649.369  15536.05   746.231  16897.92   1317.98  169.116 4.0740  175.866 6.9192  -6.750122      8.029486  
1 1 1 -15 53  5  o 116.586 2.9006  7372.86    366.268  7130.02    514.125  7623.12    521.927  114.553 4.1437  118.455 4.0680  -3.901962      5.806841  
1 1 1 -15 53  6  o 86.864  2.7286  4092.41    256.717  3955.44    357.851  4237.65    368.490  85.333  3.8718  88.326  3.8518  -2.993057      5.461465  
1 1 1 -15 53  7  o 73.115  2.7707  2899.87    219.412  2922.99    306.318  2875.51    314.432  73.246  3.8750  72.631  4.0126  0.6148682      5.578172  
1 1 1 -15 53  8  f 91.175  2.8368  4510.50    280.142  4801.04    392.916  4210.08    399.528  93.989  3.8597  87.987  4.1924  6.002426       5.698516  
1 1 1 -15 53  9  o 62.525  2.9375  2121.95    198.929  2472.83    439.530  2031.56    223.085  66.972  6.1272  61.063  3.3863  5.909061       7.000681  
1 1 1 -15 53  10 o 122.474 3.0267  8144.85    401.501  8230.99    568.059  8058.86    567.557  122.958 4.2655  121.660 4.3072  1.298759       6.061837  
1 1 1 -15 53  11 o 46.543  2.2718  1175.11    114.525  1307.20    277.673  1148.03    125.716  48.619  5.3622  45.925  2.5372  2.693958       5.932193  
1 1 1 -15 53  12 o 13.367  5.6901  0.7436     144.452  135.088    225.299  -93.0314   188.232  19.399  7.5161  13.541  6.0979  5.858104       9.678672  
1 1 1 -15 53  13 o 34.172  4.5548  648.441    164.383  492.007    238.837  789.246    226.591  29.272  7.4994  37.517  5.7603  -8.245104      9.456350  
1 1 1 -15 53  14 o 33.266  4.8017  617.273    167.998  703.003    248.988  545.627    227.617  35.118  6.7916  30.831  6.9788  4.287157       9.738085  
1 1 1 -15 53  15 o 215.677 4.1618  25400.70   972.209  26020.94   1383.46  24795.55   1366.52  217.406 5.8752  212.183 5.9462  5.222809       8.359124  
1 1 1 -15 53  16 o 105.337 3.1550  6040.88    359.958  5487.42    527.406  6523.52    492.500  100.032 4.8679  109.251 4.1621  -9.219093      6.404616  
1 1 1 -15 53  17 o 86.099  3.1538  4038.13    294.099  4083.66    428.258  3997.50    404.588  86.180  4.6048  85.321  4.3930  0.8587189      6.364155  
1 1 1 -15 53  18 o 15.692  6.4435  50.106     175.501  47.107     259.819  52.622     238.005  18.467  7.7339  17.887  7.4389  0.5802708      10.73081  
1 1 1 -15 53  19 o 21.605  1.3389  254.108    31.177   286.643    266.634  253.657    31.392   23.625  8.3500  21.585  1.3495  2.040091       8.458367  
1 1 1 -15 53  20 o 17.650  6.8013  122.198    183.699  545.617    284.775  -179.5540  240.404  30.330  8.3872  14.284  6.6042  16.04601       10.67525  
1 1 1 -15 53  21 o 17.007  6.7607  94.783     186.329  511.168    283.271  -222.7705  247.379  29.315  8.4551  13.998  6.5482  15.31715       10.69423  
1 1 1 -15 53  22 o 58.305  4.3473  1889.65    272.561  2285.66    399.632  1545.23    372.696  63.510  5.8763  51.712  6.8206  11.79757       9.002806  
1 1 1 -15 53  23 o 53.176  4.6660  1588.83    266.021  1791.35    401.531  1430.41    355.146  55.397  6.8372  49.444  6.8126  5.953491       9.651876  
1 1 1 -15 53  24 o 25.809  7.4631  409.371    220.448  658.254    324.649  196.428    300.295  31.977  8.9957  21.438  8.5634  10.53872       12.41993  
1 1 1 -15 53  25 o 43.556  2.0303  1036.47    95.781   1053.60    99.916   842.255    336.420  43.901  2.1013  36.007  8.7192  7.893948       8.968785  
1 1 1 -15 53  26 o 29.591  9.5277  594.431    346.992  626.332    474.476  557.755    508.757  29.930  11.061  28.884  11.266  1.045992       15.78819  
1 1 1 -15 53  27 o 24.452  9.2187  373.524    332.823  306.717    473.324  438.862    468.085  24.586  10.375  26.374  10.636  -1.788195      14.85793  
1 1 1 -15 53  28 o 47.683  7.4965  1462.38    374.383  1596.41    537.284  1335.89    521.964  45.807  10.974  41.154  11.345  4.652882       15.78351  
1 1 1 -15 54  1  o 99.860  3.8092  5415.40    412.001  4938.79    546.110  6045.04    627.685  95.092  5.3237  105.202 5.5281  -10.10939      7.674728  
1 1 1 -15 54  2  o 186.807 3.9671  18955.50   802.671  18181.79   977.002  20562.22   1407.92  182.804 4.9345  194.022 6.6997  -11.21840      8.320742  
1 1 1 -15 54  3  o 65.721  2.7772  2342.65    197.690  2436.20    220.623  1961.55    445.296  67.011  3.0397  59.493  7.0476  7.518005       7.675162  
1 1 1 -15 54  4  o 98.284  2.4576  5237.56    261.620  5348.04    337.274  5070.66    414.537  99.277  3.1366  96.612  3.9615  2.665344       5.052927  
1 1 1 -15 54  5  o 86.445  2.7712  4053.31    259.466  4104.77    363.412  3999.81    370.573  86.927  3.8599  85.799  3.9877  1.127533       5.549810  
1 1 1 -15 54  6  o 78.980  2.4952  3382.79    213.446  3376.50    275.232  3392.29    338.089  78.871  3.2219  78.910  3.9684  -0.3907776E-01 5.111649  
1 1 1 -15 54  7  o 103.153 2.8487  5773.52    318.277  5797.94    449.528  5748.98    450.696  103.273 4.0188  102.833 4.0465  0.4397202      5.703110  
1 1 1 -15 54  8  o 100.687 2.8105  5501.44    306.494  5228.23    429.649  5784.54    437.349  98.048  4.0458  103.147 3.9147  -5.098389      5.629707  
1 1 1 -15 54  9  o 63.379  4.4904  2198.51    306.250  2474.16    454.269  1968.85    414.645  66.923  6.3428  59.595  6.5309  7.328426       9.104057  
1 1 1 -15 54  10 f 43.703  3.7564  1046.47    176.082  1315.92    248.480  774.673    249.559  48.897  4.7518  37.067  6.4504  11.83025       8.011723  
1 1 1 -15 54  11 o 25.923  5.6402  381.866    153.860  712.708    209.314  -7.0213    226.934  35.671  5.6022  16.558  7.0922  19.11299       9.037894  
1 1 1 -15 54  12 o 115.191 3.0414  7210.54    379.452  7393.97    540.552  7032.34    532.784  116.450 4.2858  113.558 4.3318  2.891716       6.093595  
1 1 1 -15 54  13 f 106.751 3.0685  6194.72    354.788  6234.30    506.829  6156.69    496.813  106.882 4.3781  106.226 4.3181  0.6562500      6.149284  
1 1 1 -15 54  14 o 130.550 3.1809  9271.61    449.770  9335.08    646.156  9211.96    626.445  130.685 4.5650  129.849 4.4543  0.8359375      6.378070  
1 1 1 -15 54  15 o 43.649  4.1378  1049.75    193.284  879.978    274.130  1217.59    272.565  39.364  6.6677  46.758  5.4862  -7.394279      8.634640  
1 1 1 -15 54  16 o 55.268  3.6721  1673.62    218.561  1809.06    317.971  1552.32    300.916  57.149  5.1936  52.873  5.3272  4.276779       7.439980  
1 1 1 -15 54  17 o 44.427  4.1272  1089.12    196.327  1135.74    298.360  1053.52    260.727  44.839  6.3187  43.326  5.6939  1.512817       8.505715  
1 1 1 -15 54  18 o 61.091  3.4733  2044.56    228.870  2110.80    348.293  1994.22    303.627  61.625  5.2688  60.045  4.7064  1.580524       7.064713  
1 1 1 -15 54  19 o 5.5937  2.5647  -25.4080   35.208   263.299    281.662  -29.9906   35.486   23.322  8.5380  5.4713  2.5323  17.85039       8.905636  
1 1 1 -15 54  20 o 25.465  6.7160  378.510    187.894  473.637    281.520  302.095    252.317  28.394  8.4942  23.692  8.1390  4.702227       11.76412  
1 1 1 -15 54  21 o 87.913  3.2366  4228.92    308.190  4532.48    454.790  3971.15    419.087  90.405  4.6604  84.638  4.5888  5.767204       6.540379  
1 1 1 -15 54  22 o 54.471  2.6653  1620.30    157.248  1533.64    174.063  2004.94    366.716  52.840  3.0544  59.444  5.7684  -6.603199      6.527177  
1 1 1 -15 54  23 o 42.769  5.6776  1054.04    256.506  1343.99    382.790  817.745    345.567  47.265  7.7458  36.108  8.8943  11.15631       11.79433  
1 1 1 -15 54  24 f 60.134  4.7448  2055.47    306.526  2066.28    521.312  2049.75    378.956  57.337  8.6647  59.239  5.9885  -1.902081      10.53275  
1 1 1 -15 54  25 o 29.113  7.9318  539.982    256.913  788.659    460.171  427.370    309.668  33.410  10.987  26.085  9.0134  7.324867       14.21099  
1 1 1 -15 54  26 o 25.938  9.7872  420.802    375.340  406.422    468.109  446.693    628.116  26.336  10.631  27.980  11.887  -1.643824      15.94692  
1 1 1 -15 54  27 o 33.400  9.5067  787.028    360.392  1043.81    494.063  495.028    526.860  36.711  11.310  27.370  11.193  9.341347       15.91164  
1 1 1 -15 54  28 o 26.818  9.4506  505.185    341.311  653.275    488.278  363.690    477.282  29.158  11.124  24.903  10.458  4.255198       15.26861  
1 1 1 -15 55  1  o 27.698  1.5444  416.957    46.148   416.535    46.705   434.336    299.531  27.682  1.5641  28.204  8.8254  -0.5211697     8.962928  
1 1 1 -15 55  2  o 123.369 3.2498  8260.35    434.239  8019.39    523.542  8791.56    777.346  121.490 3.9787  126.994 5.6515  -5.503716      6.911532  
1 1 1 -15 55  3  o 165.421 3.4360  14855.91   615.615  14610.04   706.940  15627.40   1252.25  163.977 3.9804  169.044 6.8395  -5.066238      7.913423  
1 1 1 -15 55  4  o 153.333 2.9600  12756.62   491.586  12621.35   633.918  12960.69   778.586  152.419 3.8399  154.339 4.6576  -1.919464      6.036419  
1 1 1 -15 55  5  o 48.565  1.5272  1277.97    80.330   1196.39    291.833  1284.66    83.558   46.448  5.9367  48.691  1.5844  -2.242783      6.144485  
1 1 1 -15 55  6  f 75.472  2.3396  3088.79    191.246  2754.26    303.574  3308.93    246.256  71.072  3.9594  78.087  2.9116  -7.015480      4.914681  
1 1 1 -15 55  7  o 73.469  2.8391  2929.19    225.916  3147.20    324.368  2723.81    314.833  75.978  3.9553  70.645  4.1326  5.332687       5.720417  
1 1 1 -15 55  8  o 44.818  3.2171  1096.49    155.126  922.257    221.632  1263.82    217.197  40.805  5.1280  48.007  4.2200  -7.202454      6.641129  
1 1 1 -15 55  9  o 109.093 4.4542  6484.01    526.302  6239.49    757.019  6712.75    732.209  106.441 6.5990  110.539 6.1399  -4.098442      9.013591  
1 1 1 -15 55  10 o 28.011  5.0733  441.452    148.249  478.299    199.758  396.276    221.188  28.957  6.5255  26.442  7.4205  2.515070       9.881589  
1 1 1 -15 55  11 o 165.371 3.5014  14875.14   627.153  14991.11   887.307  14759.36   886.550  165.656 4.9454  164.360 4.9801  1.295456       7.018394  
1 1 1 -15 55  12 o 181.553 3.6593  17942.46   719.572  18145.01   1021.63  17743.04   1013.67  182.106 5.1796  180.071 5.1974  2.034760       7.337673  
1 1 1 -15 55  13 o 60.722  3.3858  2012.59    221.790  2098.29    320.836  1934.16    306.942  61.758  4.8350  59.281  4.8223  2.477238       6.828755  
1 1 1 -15 55  14 o 94.014  3.0029  4806.91    305.778  4525.54    446.613  5055.18    419.528  90.976  4.5325  96.249  4.0243  -5.273956      6.061233  
1 1 1 -15 55  15 o 27.625  5.6953  435.111    164.744  483.165    243.956  394.825    223.369  28.917  7.6651  26.278  7.4860  2.639355       10.71424  
1 1 1 -15 55  16 o 29.153  5.6356  483.793    171.510  432.042    258.656  524.401    229.123  27.477  8.1241  30.101  7.1364  -2.623192      10.81337  
1 1 1 -15 55  17 o 13.706  5.9298  -16.0647   161.735  -136.4324  254.497  65.484     209.477  15.444  7.0097  17.230  7.0531  -1.786371      9.943945  
1 1 1 -15 55  18 o 29.136  5.9128  487.500    180.219  657.196    279.820  367.214    235.587  33.456  7.8562  25.396  7.8073  8.060198       11.07579  
1 1 1 -15 55  19 o 37.563  2.5243  771.494    102.103  1259.73    306.365  710.490    108.295  47.148  6.1454  35.999  2.7995  11.14945       6.753032  
1 1 1 -15 55  20 o 36.785  5.1703  764.387    200.305  599.004    298.062  900.588    270.489  31.653  8.5100  39.540  6.5450  -7.886322      10.73580  
1 1 1 -15 55  21 o 43.797  1.9689  1042.92    93.397   1063.54    99.021   876.716    281.146  44.219  2.0675  38.777  6.9492  5.441101       7.250243  
1 1 1 -15 55  22 o 64.813  4.1736  2333.21    291.423  2491.94    414.636  2178.25    409.678  66.217  5.8412  61.687  6.2164  4.529915       8.530128  
1 1 1 -15 55  23 o 66.326  4.0964  2455.66    292.836  2091.20    431.340  2767.26    398.832  59.648  6.7980  69.725  5.3214  -10.07616      8.633056  
1 1 1 -15 55  24 o 42.859  2.3222  1008.47    107.396  996.154    112.660  1131.06    355.486  42.562  2.4542  42.561  8.0055  0.1899719E-02  8.373205  
1 1 1 -15 55  25 o 22.365  9.0591  227.470    341.202  -203.4205  446.097  834.904    529.657  19.171  8.9097  33.766  11.781  -14.59464      14.77087  
1 1 1 -15 55  26 o 30.111  9.6919  627.212    359.076  868.212    471.937  295.902    553.341  34.160  11.121  25.566  11.015  8.593887       15.65259  
1 1 1 -15 55  27 o 32.440  9.5614  748.205    358.771  623.962    487.220  895.371    530.267  29.100  11.110  33.387  11.778  -4.286243      16.19116  
1 1 1 -15 55  28 o 28.832  1.6280  455.272    50.632   457.358    50.876   239.734    517.075  28.898  1.6322  23.794  10.443  5.104021       10.56947  
1 1 1 -15 56  1  o 25.634  7.0958  370.726    203.712  540.662    282.405  186.379    294.136  30.833  8.2810  22.403  8.6134  8.429993       11.94843  
1 1 1 -15 56  2  o 86.019  2.6004  4013.27    242.270  3922.17    272.463  4357.34    529.495  85.018  2.9589  89.227  5.5058  -4.208679      6.250520  
1 1 1 -15 56  3  o 65.762  3.0918  2347.17    220.223  2151.27    266.892  2765.10    389.821  62.792  3.9443  71.063  5.0985  -8.271358      6.446132  
1 1 1 -15 56  4  o 54.211  2.0837  1593.18    122.348  1568.92    141.933  1663.36    241.371  53.787  2.4363  55.164  4.0685  -1.377525      4.742192  
1 1 1 -15 56  5  o 155.299 3.3536  13097.38   564.090  12539.65   795.139  13662.48   800.373  151.729 4.8384  158.408 4.6649  -6.679596      6.721009  
1 1 1 -15 56  6  o 60.483  3.0617  1991.02    199.917  1838.92    290.939  2127.07    275.170  57.922  4.6774  62.403  4.0939  -4.481350      6.215990  
1 1 1 -15 56  7  o 207.909 4.1961  23523.80   944.909  23923.16   1263.51  23017.02   1423.33  209.277 5.5742  204.993 6.4105  4.284454       8.495136  
1 1 1 -15 56  8  o 43.632  3.3566  1040.52    157.408  1226.85    222.311  853.191    222.906  47.260  4.3934  39.163  5.3985  8.096889       6.960298  
1 1 1 -15 56  9  f 106.870 4.3311  6222.41    501.331  5886.77    704.573  6566.60    713.489  103.413 6.3208  109.314 6.0497  -5.901009      8.749357  
1 1 1 -15 56  10 o 54.181  2.3277  1592.75    136.597  1779.52    268.314  1527.41    158.702  56.969  4.3821  52.965  2.7761  4.004021       5.187432  
1 1 1 -15 56  11 o 94.560  2.9646  4858.21    303.631  4955.88    427.276  4758.57    431.554  95.358  4.1370  93.422  4.2650  1.936165       5.941764  
1 1 1 -15 56  12 o 120.159 3.0428  7848.13    396.008  7440.11    564.011  8244.86    556.152  116.746 4.4604  122.958 4.1761  -6.211876      6.110225  
1 1 1 -15 56  13 o 88.278  3.0248  4237.44    289.214  4043.32    410.106  4429.49    407.923  85.925  4.4216  90.091  4.1805  -4.166336      6.085006  
1 1 1 -15 56  14 o 96.848  2.9650  5101.59    311.017  5504.43    448.783  4729.33    431.419  100.396 4.1272  93.029  4.2816  7.366264       5.946913  
1 1 1 -15 56  15 o 94.427  3.0154  4852.27    308.396  4815.07    445.988  4886.35    426.913  93.810  4.3894  94.549  4.1688  -0.7391968     6.053545  
1 1 1 -15 56  16 o 16.090  6.2865  89.285     158.634  46.340     238.549  123.332    212.404  17.824  7.4329  18.633  7.2760  -0.8093109     10.40132  
1 1 1 -15 56  17 o 64.021  3.3881  2242.85    234.097  2469.92    352.009  2062.79    313.461  66.828  4.8974  61.074  4.7767  5.753986       6.841151  
1 1 1 -15 56  18 o 29.813  5.8474  509.762    182.066  564.238    281.904  470.778    238.473  30.940  8.2582  28.372  7.6053  2.567287       11.22665  
1 1 1 -15 56  19 o 68.309  2.6514  2542.15    196.170  2741.54    369.227  2463.73    231.555  70.280  4.8809  67.159  3.1833  3.120575       5.827197  
1 1 1 -15 56  20 o 12.441  5.7065  -115.7992  174.541  61.541     261.201  -258.8695  234.610  18.617  7.7718  13.122  6.2118  5.494497       9.949271  
1 1 1 -15 56  21 o 21.519  7.2717  252.507    201.334  123.372    286.939  377.740    282.570  20.354  8.2844  25.783  8.6152  -5.429482      11.95215  
1 1 1 -15 56  22 o 16.239  7.0888  -18.3908   235.459  44.623     366.768  -62.5694   307.099  20.854  8.9760  17.821  7.9239  3.033207       11.97323  
1 1 1 -15 56  23 o 70.362  4.1383  2769.90    313.988  2838.04    450.970  2705.79    437.432  70.011  6.0053  68.379  5.9661  1.631721       8.465073  
1 1 1 -15 56  24 o 37.192  7.2418  849.282    281.226  875.252    475.378  835.301    348.811  35.279  11.130  35.795  9.0050  -0.5155144     14.31679  
1 1 1 -15 56  25 o 24.105  9.3551  323.079    349.488  287.464    460.640  371.387    536.486  24.813  10.337  26.695  11.141  -1.881718      15.19731  
1 1 1 -15 56  26 o 33.052  9.6876  764.778    369.212  844.595    492.745  662.593    557.526  33.384  11.376  30.164  11.785  3.220713       16.37978  
1 1 1 -15 56  27 o 20.387  8.8226  118.858    358.221  -111.6162  478.474  412.802    540.355  20.014  9.2756  26.218  11.075  -6.204443      14.44645  
1 1 1 -15 56  28 o 31.192  9.7414  711.028    365.133  575.651    503.293  861.457    530.536  27.972  11.114  32.333  11.736  -4.360580      16.16326  
1 1 1 -15 57  1  o 91.047  4.0658  4507.55    400.945  4600.41    563.670  4412.44    570.434  91.626  5.7082  89.689  5.9051  1.936241       8.213056  
1 1 1 -15 57  2  o 112.906 3.4946  6924.48    427.354  7042.27    515.969  6667.15    762.653  113.788 4.1866  110.214 6.4166  3.573929       7.661584  
1 1 1 -15 57  3  o 148.667 3.1682  11999.48   510.150  11633.13   586.314  13141.15   1035.03  146.313 3.6998  155.037 6.1638  -8.723831      7.188952  
1 1 1 -15 57  4  o 61.364  2.3820  2042.21    158.314  1992.84    195.234  2137.02    270.534  60.593  2.9748  62.561  4.0137  -1.968353      4.995924  
1 1 1 -15 57  5  o 194.248 3.7490  20510.59   788.765  20233.19   1117.66  20785.84   1113.32  192.555 5.3590  195.193 5.2660  -2.637512      7.513330  
1 1 1 -15 57  6  o 214.846 4.0437  25112.82   940.970  24909.01   1332.07  25315.81   1329.39  213.468 5.7614  215.224 5.7029  -1.756302      8.106536  
1 1 1 -15 57  7  o 143.035 3.2381  11114.30   501.648  11177.15   725.249  11056.65   694.617  143.196 4.6761  142.456 4.5019  0.7401581      6.491012  
1 1 1 -15 57  8  o 74.790  2.2184  3033.91    179.701  3313.99    307.374  2888.47    221.497  78.063  3.6354  72.941  2.8037  5.122124       4.590915  
1 1 1 -15 57  9  o 44.907  5.8656  1122.87    278.479  729.732    385.608  1551.41    402.598  35.562  9.7294  52.586  7.2624  -17.02391      12.14098  
1 1 1 -15 57  10 o ?       ?       -123.9882  24.561   200.454    189.572  -129.5270  24.769   20.169  7.0475  ?       ?       0.000000       7.047540  
1 1 1 -15 57  11 o 25.541  5.8349  371.955    157.881  124.943    221.078  629.050    225.545  19.027  7.4249  33.262  6.4936  -14.23501      9.863871  
1 1 1 -15 57  12 o 81.365  2.9666  3598.55    261.437  3984.31    376.451  3239.17    363.352  85.476  4.0663  76.905  4.3803  8.570480       5.976730  
1 1 1 -15 57  13 o 90.163  2.9712  4420.64    290.159  4288.86    411.238  4551.29    409.460  88.612  4.2848  91.308  4.1403  -2.696564      5.958333  
1 1 1 -15 57  14 o 69.905  2.4535  2654.50    185.766  2543.84    339.664  2701.73    221.893  68.012  4.6386  70.480  2.9067  -2.468033      5.474126  
1 1 1 -15 57  15 o 22.641  6.3613  291.834    162.452  606.017    240.729  29.114     220.132  32.409  7.0578  16.894  7.0991  15.51566       10.01048  
1 1 1 -15 57  16 o 112.723 3.1129  6922.80    380.061  7286.02    550.329  6591.61    525.506  115.295 4.4070  109.658 4.4245  5.636963       6.244811  
1 1 1 -15 57  17 o 80.057  3.2353  3496.39    280.529  3592.56    408.420  3410.50    385.986  80.696  4.6931  78.662  4.5498  2.034126       6.536563  
1 1 1 -15 57  18 o 74.492  3.4005  3032.34    274.363  3434.02    412.099  2712.56    367.702  78.766  4.8542  69.962  4.8831  8.803848       6.885300  
1 1 1 -15 57  19 o 83.607  2.8021  3811.91    253.743  3866.12    423.456  3781.54    316.948  83.554  4.6982  83.108  3.5211  0.4465790      5.871253  
1 1 1 -15 57  20 o 45.797  4.3001  1165.64    210.798  1233.80    317.583  1111.97    281.836  46.403  6.4970  44.176  6.0493  2.227566       8.877172  
1 1 1 -15 57  21 o 41.942  5.1493  994.748    229.008  1010.58    384.376  986.036    285.141  40.702  8.9617  41.214  6.6112  -0.5125809     11.13642  
1 1 1 -15 57  22 o 49.067  5.0278  1364.10    263.430  1087.37    392.594  1590.74    355.287  41.828  8.9369  52.345  6.3999  -10.51634      10.99218  
1 1 1 -15 57  23 o 19.331  7.7479  145.755    246.740  275.315    386.835  56.892     320.371  24.205  9.7014  19.517  8.3949  4.687712       12.82935  
1 1 1 -15 57  24 o 27.363  8.6049  477.235    284.358  723.521    466.736  331.857    358.593  32.311  11.071  24.595  9.4955  7.716145       14.58530  
1 1 1 -15 57  25 o 41.134  8.7172  1103.78    376.303  1414.68    505.849  718.557    563.084  44.963  10.566  31.562  11.969  13.40071       15.96544  
1 1 1 -15 57  26 o 25.924  9.6744  434.829    364.703  -35.9449   488.094  1029.90    548.756  21.110  9.6298  36.015  12.005  -14.90507      15.39026  
1 1 1 -15 57  27 o 24.237  9.5668  360.095    370.658  705.520    501.042  -57.4564   550.875  30.194  11.325  21.555  9.9767  8.639702       15.09306  
1 1 1 -15 58  1  o 108.649 4.2472  6423.63    499.799  6284.72    717.417  6554.62    696.683  107.001 6.2171  109.353 5.9040  -2.351997      8.573815  
1 1 1 -15 58  2  o 119.965 3.1489  7814.41    409.148  8134.04    498.706  7156.31    715.594  122.324 3.7641  114.299 5.7994  8.025711       6.913835  
1 1 1 -15 58  3  o 34.193  2.9152  639.203    106.931  570.630    139.704  736.205    166.160  32.129  4.1087  36.534  4.2802  -4.404610      5.933081  
1 1 1 -15 58  4  o 46.921  2.2198  1193.90    112.812  1093.94    130.551  1488.60    224.155  44.818  2.7021  52.161  3.9980  -7.343594      4.825504  
1 1 1 -15 58  5  o 94.125  2.9165  4809.66    297.328  4615.88    422.294  5000.16    418.699  92.084  4.2341  95.864  4.0325  -3.779427      5.847121  
1 1 1 -15 58  6  o 120.993 3.0814  7950.64    403.815  7896.18    572.623  8004.52    569.552  120.400 4.3911  121.232 4.3376  -0.8316650     6.172186  
1 1 1 -15 58  7  o 179.664 3.5761  17551.60   695.883  17524.95   984.665  17578.19   983.590  179.162 5.0743  179.437 5.0609  -0.2756958     7.166677  
1 1 1 -15 58  8  o 113.310 2.9891  6973.89    366.843  7147.08    518.352  6800.11    519.239  114.545 4.1781  111.712 4.2914  2.832909       5.989370  
1 1 1 -15 58  9  o 16.341  6.2617  99.986     155.129  16.770     174.119  420.289    341.603  14.995  6.3081  28.187  9.4722  -13.19177      11.38047  
1 1 1 -15 58  10 f 156.171 3.3336  13263.50   563.873  13098.42   794.805  13430.78   800.094  154.867 4.7384  156.828 4.7103  -1.960266      6.681258  
1 1 1 -15 58  11 o 94.859  2.9270  4889.98    300.722  4866.52    421.677  4914.25    428.987  94.469  4.1211  94.923  4.1725  -0.4538956     5.864636  
1 1 1 -15 58  12 o 106.541 3.0226  6172.13    348.794  6475.46    509.659  5904.91    478.366  108.898 4.3211  104.004 4.2466  4.893456       6.058475  
1 1 1 -15 58  13 o 27.789  1.9569  421.061    58.523   659.216    260.919  408.445    60.053   33.827  7.3330  27.359  2.0412  6.467438       7.611831  
1 1 1 -15 58  14 f 52.071  2.2322  1472.23    125.891  1123.86    289.280  1553.62    139.826  44.723  6.1336  53.479  2.4140  -8.756584      6.591501  
1 1 1 -15 58  15 o 120.777 3.1317  7944.68    409.674  8200.34    584.154  7697.23    574.695  122.366 4.4076  118.532 4.4764  3.833969       6.282124  
1 1 1 -15 58  16 o 105.909 3.1494  6113.65    361.273  6289.93    527.699  5958.13    495.642  107.052 4.5511  104.239 4.3900  2.813637       6.323395  
1 1 1 -15 58  17 o 115.928 3.2409  7333.99    406.930  7118.29    602.308  7515.14    551.955  113.657 4.8927  116.991 4.3559  -3.334328      6.550801  
1 1 1 -15 58  18 o 55.084  3.7023  1668.81    219.602  1650.86    332.606  1682.69    292.394  54.206  5.7531  54.982  4.9634  -0.7759094     7.598259  
1 1 1 -15 58  19 f 35.819  1.9486  699.258    75.312   940.014    291.663  682.059    77.956   40.296  6.9326  35.363  2.0440  4.932636       7.227692  
1 1 1 -15 58  20 o 26.999  6.5085  427.174    188.100  382.125    298.174  456.952    242.424  26.111  8.8493  27.779  7.7590  -1.667337      11.76907  
1 1 1 -15 58  21 o 14.272  6.3479  -56.3299   197.240  51.927     329.692  -116.6731  246.147  20.151  8.5874  15.188  6.8935  4.963437       11.01202  
1 1 1 -15 58  22 o 36.017  6.6392  769.852    249.451  855.015    373.073  700.992    335.470  36.631  9.3665  33.296  9.0605  3.334946       13.03166  
1 1 1 -15 58  23 o 30.633  7.6156  584.832    251.597  697.684    380.595  497.235    335.315  32.401  9.9171  27.998  9.3847  4.403038       13.65365  
1 1 1 -15 58  24 o 16.400  7.2984  -37.8017   261.053  -206.7098  443.820  51.549     322.799  19.175  8.9032  19.318  8.3675  -0.1432438     12.21816  
1 1 1 -15 58  25 o 19.308  8.4986  29.087     344.664  -106.0968  459.469  203.039    521.205  20.189  9.2599  24.373  10.595  -4.183323      14.07094  
1 1 1 -15 58  26 o 44.190  2.5605  1079.71    122.027  1061.90    124.845  1460.71    577.561  43.793  2.6445  43.243  11.939  0.5499611      12.22832  
1 1 1 -15 58  27 o 30.477  9.9504  676.356    377.699  951.510    509.895  341.826    562.225  34.430  11.573  25.503  11.045  8.927549       15.99715  
1 1 1 -15 59  1  o 126.089 4.5346  8661.06    619.286  8604.82    861.015  8721.34    891.379  125.163 6.3724  125.958 6.5565  -0.7949829     9.143046  
1 1 1 -15 59  2  o 131.686 3.5491  9425.32    506.211  9048.25    606.052  10295.40   920.624  128.908 4.3407  137.120 6.1989  -8.211380      7.567518  
1 1 1 -15 59  3  o 112.155 2.5032  6824.50    304.071  6869.88    387.925  6752.19    489.676  112.463 3.1847  111.393 4.0586  1.070313       5.158956  
1 1 1 -15 59  4  o 85.583  2.6144  3974.66    242.346  3810.31    313.508  4218.68    382.014  83.731  3.4569  88.050  4.0057  -4.319122      5.291145  
1 1 1 -15 59  5  o 86.157  2.5739  4028.15    240.193  4109.40    375.092  3971.68    312.720  86.898  3.9853  85.488  3.3774  1.409920       5.223890  
1 1 1 -15 59  6  o 84.735  2.4609  3895.87    225.849  3954.71    358.437  3857.12    290.848  85.250  3.8819  84.257  3.1870  0.9925461      5.022616  
1 1 1 -15 59  7  o 58.176  2.9710  1843.05    186.583  1828.32    270.263  1856.46    257.906  57.760  4.3520  58.241  4.1149  -0.4811821     5.989394  
1 1 1 -15 59  8  o 85.387  2.6333  3958.07    243.530  3694.00    317.414  4335.96    379.704  82.406  3.5563  89.236  3.9286  -6.829964      5.299125  
1 1 1 -15 59  9  o 121.338 3.4876  8009.14    458.351  7289.75    555.539  9542.92    811.170  115.600 4.4370  131.961 5.6754  -16.36075      7.203940  
1 1 1 -15 59  10 o 92.916  2.8923  4690.88    291.070  4339.90    407.014  5058.27    416.417  89.207  4.2125  96.342  3.9906  -7.135017      5.802605  
1 1 1 -15 59  11 o 182.890 3.6996  18220.41   732.845  18084.67   1033.92  18357.46   1038.90  181.669 5.2545  183.040 5.2403  -1.370834      7.420979  
1 1 1 -15 59  12 o 50.552  2.1895  1387.05    119.882  1339.70    277.758  1397.89    132.898  49.139  5.3028  50.736  2.4184  -1.596882      5.828217  
1 1 1 -15 59  13 o 37.416  1.6626  759.196    67.376   678.480    267.975  764.643    69.613   34.295  7.4291  37.548  1.7117  -3.252934      7.623722  
1 1 1 -15 59  14 o 183.400 3.9345  18370.26   781.548  18703.72   1054.83  17964.40   1163.73  184.436 5.2804  180.383 5.9564  4.052017       7.960003  
1 1 1 -15 59  15 o 157.347 3.4706  13506.20   591.463  14325.94   840.477  12701.95   832.492  161.513 4.8045  151.969 5.0577  9.543869       6.975937  
1 1 1 -15 59  16 o 22.177  6.5456  278.948    168.036  314.903    254.319  251.089    223.863  24.217  8.1728  22.071  7.6615  2.146509       11.20237  
1 1 1 -15 59  17 f 53.723  3.7296  1586.79    215.675  1881.05    326.460  1358.89    287.300  58.114  5.2430  49.255  5.4782  8.859417       7.582894  
1 1 1 -15 59  18 o 72.748  3.2950  2892.43    259.623  3096.60    388.374  2727.49    349.085  74.737  4.8236  70.192  4.6175  4.544952       6.677452  
1 1 1 -15 59  19 o 53.468  2.4581  1556.83    142.354  2101.57    348.190  1447.50    155.986  61.297  5.2966  51.438  2.8105  9.858742       5.996066  
1 1 1 -15 59  20 o 22.239  6.8692  282.906    182.130  -46.7672   280.672  522.693    239.370  17.389  7.6610  29.641  7.4613  -12.25225      10.69398  
1 1 1 -15 59  21 o 57.603  4.1383  1846.10    256.472  1612.92    392.725  2019.51    338.662  52.493  7.0887  59.772  5.2856  -7.279419      8.842397  
1 1 1 -15 59  22 o 17.049  7.2548  39.217     234.677  -96.6553   351.613  148.365    315.142  18.408  8.3080  20.996  8.6293  -2.588083      11.97862  
1 1 1 -15 59  23 o 12.458  5.9817  -297.4543  234.245  -206.8856  355.013  -367.2875  311.736  17.142  7.9606  14.428  6.9206  2.714541       10.54827  
1 1 1 -15 59  24 o 28.175  9.9333  517.029    377.111  815.527    466.176  -48.1628   641.470  33.872  11.054  23.938  10.965  9.934090       15.57034  
1 1 1 -15 59  25 o 33.864  9.5918  791.446    367.801  1001.39    495.396  533.587    549.025  36.589  11.334  28.578  11.521  8.011156       16.16117  
1 1 1 -15 59  26 o 28.529  9.8427  570.392    369.205  544.632    494.821  602.746    554.535  28.057  11.060  29.007  11.619  -0.9497452     16.04164  
1 1 1 -15 59  27 o 22.395  9.2607  249.547    365.856  367.468    490.932  102.259    548.666  25.272  10.610  22.949  10.366  2.322659       14.83300  
1 1 1 -15 60  1  o 62.198  5.0327  2124.86    336.133  2394.79    447.687  1776.06    508.904  65.795  6.3616  56.013  8.6684  9.782001       10.75222  
1 1 1 -15 60  2  o 15.311  5.8141  90.712     132.985  139.012    140.484  -325.7949  412.540  17.100  6.0591  18.693  8.6456  -1.593246      10.55745  
1 1 1 -15 60  3  o 25.380  4.9540  363.420    131.293  386.673    183.887  339.238    187.520  26.046  6.5305  24.494  6.8178  1.551985       9.440888  
1 1 1 -15 60  4  o 123.618 3.1725  8301.99    424.763  8034.51    603.016  8565.41    598.420  121.400 4.5861  125.379 4.4067  -3.978508      6.360108  
1 1 1 -15 60  5  o 132.851 3.2022  9590.08    460.776  9235.07    653.429  9941.24    649.859  130.132 4.6360  135.054 4.4426  -4.922089      6.421037  
1 1 1 -15 60  6  o 88.198  2.7752  4223.65    265.107  4002.81    378.963  4435.30    371.000  85.732  4.0812  90.279  3.7942  -4.547028      5.572392  
1 1 1 -15 60  7  o 34.199  1.6322  633.969    60.459   654.096    207.533  632.102    63.201   34.089  5.8305  34.104  1.7165  -0.1505661E-01 6.077892  
1 1 1 -15 60  8  o 21.059  5.8559  250.321    138.410  440.356    194.775  56.466     196.723  27.751  6.5801  16.712  6.8374  11.03836       9.489348  
1 1 1 -15 60  9  o 43.269  1.9509  1015.39    91.427   939.260    224.159  1030.58    100.134  41.125  5.1451  43.586  2.1211  -2.460648      5.565160  
1 1 1 -15 60  10 o 91.754  2.8974  4575.13    287.938  4412.88    401.931  4746.18    412.694  89.951  4.1255  93.293  4.0842  -3.341660      5.805216  
1 1 1 -15 60  11 o 85.462  2.9583  3971.11    273.829  3703.66    382.986  4250.83    391.664  82.240  4.3147  88.260  4.0971  -6.019890      5.950007  
1 1 1 -15 60  12 o 54.850  2.1142  1632.79    125.600  1487.15    268.160  1673.72    142.157  51.893  4.8263  55.518  2.3641  -3.624344      5.374250  
1 1 1 -15 60  13 o 29.674  1.8541  479.574    59.292   457.171    222.013  481.294    61.527   28.145  7.2412  29.721  1.9216  -1.576534      7.491861  
1 1 1 -15 60  14 o 76.310  2.7581  3167.43    227.963  3239.78    377.110  3125.76    286.168  76.758  4.5564  75.708  3.4899  1.050339       5.739354  
1 1 1 -15 60  15 o 53.414  2.1634  1549.66    125.157  1170.71    299.799  1629.64    137.734  45.543  6.2420  54.762  2.3221  -9.219742      6.659923  
1 1 1 -15 60  16 o 19.278  6.5877  192.748    165.258  440.934    249.174  -2.1459    220.807  27.569  7.9236  16.270  6.9829  11.29933       10.56145  
1 1 1 -15 60  17 o 63.167  3.4447  2187.28    234.786  2408.21    353.829  2013.47    313.832  65.864  4.9972  60.237  4.8513  5.627007       6.964713  
1 1 1 -15 60  18 o 89.755  3.3182  4404.69    322.578  4826.36    482.573  4064.08    433.717  93.358  4.7885  85.688  4.6910  7.670235       6.703429  
1 1 1 -15 60  19 o 15.243  2.9824  131.200    47.474   951.285    324.893  113.308    47.989   40.196  7.7434  14.119  3.2107  26.07704       8.382641  
1 1 1 -15 60  20 o 16.687  6.7262  82.673     187.100  192.134    272.868  -14.4578   257.040  21.345  8.2712  17.101  7.4369  4.244129       11.12301  
1 1 1 -15 60  21 o 34.882  6.5439  718.002    238.153  1105.35    376.843  460.430    307.296  42.468  8.4896  27.623  8.9731  14.84503       12.35274  
1 1 1 -15 60  22 o 22.696  7.9614  293.545    242.035  431.967    360.537  179.984    326.559  26.856  9.6859  21.669  8.8309  5.187132       13.10728  
1 1 1 -15 60  23 o 42.087  6.4664  1056.71    285.333  1428.79    481.469  855.288    354.242  46.485  9.8679  36.246  9.0508  10.23899       13.39005  
1 1 1 -15 60  24 o 46.355  7.8284  1343.79    379.043  1705.30    509.598  896.093    567.097  50.689  9.6342  34.606  12.183  16.08348       15.53219  
1 1 1 -15 60  25 o 31.252  9.7098  678.823    363.302  507.621    487.143  893.375    545.341  27.855  10.976  33.985  11.949  -6.129074      16.22505  
1 1 1 -15 60  26 o 66.420  6.1330  2657.28    436.227  2592.77    593.813  2732.90    642.948  62.112  9.0965  62.920  9.7499  -0.8080292     13.33442  
1 1 1 -15 60  27 o 31.203  9.8820  707.394    374.461  507.841    508.004  944.835    554.135  27.257  11.049  33.819  12.028  -6.561769      16.33309  
1 1 1 -15 61  1  f 16.653  2.5347  153.916    44.274   592.116    335.702  146.159    44.664   32.208  9.1781  16.203  2.6357  16.00480       9.548998  
1 1 1 -15 61  2  o 45.455  1.9392  1120.33    95.475   994.672    207.996  1153.87    107.465  42.467  4.5953  46.124  2.1511  -3.656891      5.073843  
1 1 1 -15 61  3  o 103.748 2.6867  5842.95    301.902  6003.76    447.144  5708.23    409.273  105.024 3.9309  102.437 3.6888  2.586479       5.390635  
1 1 1 -15 61  4  o 217.363 4.3723  25750.61   1029.36  24400.20   1552.27  26810.57   1375.23  210.635 6.8040  221.283 5.7380  -10.64798      8.900518  
1 1 1 -15 61  5  o 99.612  3.0042  5390.31    324.123  5261.58    456.397  5521.30    460.388  98.258  4.2885  100.663 4.2226  -2.405518      6.018448  
1 1 1 -15 61  6  o 118.543 3.0467  7635.11    391.179  8120.42    556.044  7159.55    550.420  122.071 4.2056  114.582 4.4352  7.489510       6.112077  
1 1 1 -15 61  7  o 71.052  2.8038  2741.80    215.770  2539.55    309.431  2933.22    301.031  68.130  4.2140  73.305  3.8046  -5.174393      5.677348  
1 1 1 -15 61  8  o 73.397  3.4995  2931.18    278.203  2899.38    504.479  2945.07    333.497  72.303  6.5118  73.375  4.2141  -1.071625      7.756366  
1 1 1 -15 61  9  o 136.529 3.1318  10135.10   463.113  10071.34   652.002  10200.01   657.918  135.826 4.4320  136.688 4.4440  -0.8619080     6.276224  
1 1 1 -15 61  10 o 23.667  5.7431  319.892    145.726  278.746    195.708  371.095    218.316  22.574  7.1435  25.593  7.4345  -3.018957      10.31029  
1 1 1 -15 61  11 o 53.287  2.1312  1541.04    123.005  1389.63    248.264  1590.30    141.607  50.197  4.6181  54.115  2.4160  -3.918282      5.211920  
1 1 1 -15 61  12 o 62.861  3.0920  2150.29    210.519  2021.86    304.101  2268.49    291.722  60.596  4.6694  64.300  4.2120  -3.704521      6.288476  
1 1 1 -15 61  13 o 75.500  3.0946  3103.06    253.059  3464.33    355.546  2732.14    360.261  79.506  4.1432  70.443  4.7496  9.062737       6.302719  
1 1 1 -15 61  14 o 89.435  3.0773  4356.38    298.086  4274.48    423.395  4436.86    419.744  88.210  4.4459  90.013  4.3054  -1.802299      6.188848  
1 1 1 -15 61  15 o 96.926  2.8664  5115.67    300.919  4740.98    459.625  5396.76    398.102  92.919  4.5670  99.373  3.6988  -6.453720      5.876897  
1 1 1 -15 61  16 o 64.068  3.4578  2248.83    239.059  2421.34    344.223  2088.11    332.256  66.131  4.8394  61.327  5.0469  4.804062       6.992168  
1 1 1 -15 61  17 o 37.537  5.3123  794.960    209.946  654.091    304.477  922.644    289.878  33.174  8.4504  39.981  6.9461  -6.806980      10.93882  
1 1 1 -15 61  18 o 106.358 3.1911  6181.60    367.605  6186.04    549.039  6178.00    494.908  105.801 4.7912  105.933 4.3134  -0.1326218     6.446797  
1 1 1 -15 61  19 o 57.038  2.3975  1772.09    148.113  1940.45    347.518  1734.72    163.729  58.724  5.5288  56.393  2.6806  2.331440       6.144368  
1 1 1 -15 61  20 o 41.185  4.7630  955.247    208.549  782.640    327.725  1072.71    270.351  35.810  8.5648  43.246  5.9278  -7.435894      10.41609  
1 1 1 -15 61  21 o 15.717  6.8840  -20.8572   223.696  50.651     333.031  -79.6428   301.956  19.964  8.5723  17.327  7.7698  2.636770       11.56950  
1 1 1 -15 61  22 o 35.693  6.7859  768.220    252.752  893.094    393.659  680.637    329.681  36.792  9.7296  32.457  9.0420  4.334553       13.28245  
1 1 1 -15 61  23 o 26.127  8.4218  427.675    271.054  414.929    454.284  434.721    337.766  26.976  10.609  26.504  9.3948  0.4722862      14.17095  
1 1 1 -15 61  24 o 36.792  9.2118  903.791    366.253  983.732    488.612  801.275    553.321  36.742  11.235  32.967  11.982  3.775181       16.42573  
1 1 1 -15 61  25 o 30.098  9.7629  631.036    363.823  829.386    489.006  385.110    544.504  33.171  11.332  26.455  11.143  6.716612       15.89321  
1 1 1 -15 61  26 o 30.079  9.8351  647.119    368.947  430.098    495.273  917.710    553.033  26.299  10.814  33.632  12.011  -7.332827      16.16195  
1 1 1 -15 62  1  o 139.683 4.6313  10644.48   700.670  9639.49    974.805  11718.68   1007.81  132.188 6.8319  146.084 6.3695  -13.89607      9.340528  
1 1 1 -15 62  2  o 107.296 2.6115  6249.27    303.490  5851.16    383.891  6912.75    495.588  103.736 3.4167  112.661 4.0614  -8.925476      5.307436  
1 1 1 -15 62  3  o 131.426 3.2168  9387.65    457.907  8846.52    651.663  9915.42    643.569  127.319 4.7256  134.859 4.4060  -7.540230      6.461011  
1 1 1 -15 62  4  f 242.391 4.6867  32063.63   1230.43  31025.70   1866.40  32861.50   1636.39  237.165 7.2658  244.700 6.1742  -7.535690      9.534842  
1 1 1 -15 62  5  o 159.233 3.5878  13794.43   618.781  13336.06   844.021  14327.10   909.860  156.232 4.9879  161.874 5.1895  -5.642105      7.197918  
1 1 1 -15 62  6  o 205.808 4.0414  23076.59   900.879  22367.21   1274.43  23785.08   1273.64  201.969 5.8259  208.351 5.6439  -6.382294      8.111394  
1 1 1 -15 62  7  o 144.078 3.3224  11289.63   518.458  11363.40   733.240  11215.87   733.181  144.243 4.6933  143.296 4.7240  0.9472961      6.659069  
1 1 1 -15 62  8  o 51.734  2.5114  1453.14    140.722  1242.10    421.125  1479.66    149.304  46.494  8.6819  52.129  2.6531  -5.635384      9.078256  
1 1 1 -15 62  9  f 40.493  3.9996  902.642    173.120  789.453    236.861  1032.45    253.660  37.432  6.0485  43.030  5.5736  -5.598141      8.224899  
1 1 1 -15 62  10 o 104.887 2.9644  5982.08    336.768  5703.33    468.478  6280.15    484.449  102.199 4.2323  107.255 4.1702  -5.056427      5.941616  
1 1 1 -15 62  11 o 36.397  1.9096  720.661    75.015   842.218    225.766  705.575    79.534   38.775  5.5326  36.000  2.0482  2.774372       5.899590  
1 1 1 -15 62  12 o 108.143 3.0691  6364.77    359.480  6216.42    503.003  6519.63    513.936  106.608 4.3562  109.180 4.3461  -2.571487      6.153436  
1 1 1 -15 62  13 f 123.173 3.1200  8262.23    416.241  7711.73    583.977  8830.72    593.446  118.629 4.5450  127.018 4.3137  -8.389229      6.266161  
1 1 1 -15 62  14 o 84.397  3.1168  3881.00    284.909  3874.50    397.093  3887.90    409.015  83.968  4.3814  84.078  4.5079  -0.1100922     6.286315  
1 1 1 -15 62  15 o 129.049 3.2986  9087.37    461.055  9044.89    650.181  9130.34    653.896  128.259 4.6803  128.861 4.6851  -0.6024628     6.622348  
1 1 1 -15 62  16 o 76.356  3.4438  3186.02    284.804  3110.47    406.641  3258.77    399.015  74.902  5.0418  76.748  4.8247  -1.846306      6.978311  
1 1 1 -15 62  17 o 49.328  4.1296  1345.70    218.603  1589.52    319.325  1130.66    299.893  53.195  5.6278  44.520  6.4036  8.675285       8.525099  
1 1 1 -15 62  18 o 55.221  3.9376  1682.86    233.964  2019.87    345.076  1396.13    318.293  60.068  5.3602  49.623  6.0472  10.44560       8.080861  
1 1 1 -15 62  19 o 19.125  1.5425  199.867    31.680   320.129    296.828  198.482    31.862   24.601  8.7978  19.056  1.5573  5.544891       8.934539  
1 1 1 -15 62  20 o 55.778  3.8282  1725.22    229.877  1707.93    350.299  1738.29    304.650  54.576  6.0266  55.485  5.1274  -0.9081688     7.912629  
1 1 1 -15 62  21 o 94.323  3.4279  4912.70    350.200  4730.95    512.206  5072.23    479.887  91.297  5.2014  95.069  4.6605  -3.772102      6.983893  
1 1 1 -15 62  22 o 17.495  7.3076  73.836     231.116  68.737     349.403  77.801     308.162  20.336  8.7570  19.534  8.3128  0.8022251      12.07428  
1 1 1 -15 62  23 o 30.064  9.5703  598.406    350.861  776.317    463.955  360.736    536.242  33.275  11.036  26.875  11.170  6.400196       15.70275  
1 1 1 -15 62  24 o 33.852  9.5025  781.692    362.672  947.641    482.497  566.161    549.875  35.919  11.195  29.226  11.615  6.693745       16.13188  
1 1 1 -15 62  25 o 21.739  9.0258  203.686    349.568  162.273    467.184  256.367    526.916  22.891  9.9893  24.704  10.695  -1.812519      14.63489  
1 1 1 -15 62  26 o 21.138  8.9662  167.663    356.483  111.141    478.979  237.849    533.740  22.278  9.9014  24.316  10.642  -2.038303      14.53607  
1 1 1 -15 63  1  o 85.157  3.6503  3945.94    336.678  3755.33    403.362  4383.75    611.326  82.851  4.5120  89.106  6.3764  -6.255379      7.811275  
1 1 1 -15 63  2  o 84.208  2.4123  3848.09    220.013  3621.86    269.251  4302.68    381.667  81.644  3.0448  88.886  3.9644  -7.241226      4.998778  
1 1 1 -15 63  3  o 78.649  2.5716  3357.84    219.058  3311.13    276.550  3436.51    358.888  78.042  3.2717  79.300  4.1934  -1.257286      5.318678  
1 1 1 -15 63  4  f 82.004  2.8636  3652.67    254.342  3766.82    354.941  3532.21    364.643  83.164  3.9405  80.394  4.2023  2.770256       5.760794  
1 1 1 -15 63  5  o 123.866 3.0682  8338.36    411.627  8598.78    577.899  8070.18    586.454  125.582 4.2487  121.621 4.4520  3.961372       6.153984  
1 1 1 -15 63  6  o 208.822 4.1815  23776.33   945.760  24536.91   1265.32  22813.52   1423.64  211.603 5.5209  203.598 6.4559  8.005524       8.494647  
1 1 1 -15 63  7  o 147.823 3.3108  11886.68   530.085  11891.36   751.453  11882.04   747.867  147.519 4.7031  147.467 4.6823  0.5197144E-01  6.636498  
1 1 1 -15 63  8  o 108.766 3.5185  6440.88    414.498  6464.79    722.932  6429.16    505.913  108.198 6.1946  108.524 4.3041  -0.3263550     7.543115  
1 1 1 -15 63  9  o 112.717 3.0308  6909.38    370.007  6525.78    517.300  7311.20    529.449  109.297 4.3698  115.720 4.2242  -6.423286      6.077779  
1 1 1 -15 63  10 o 48.606  2.1721  1282.31    114.350  1187.14    249.600  1307.59    128.645  46.271  5.0630  49.069  2.4206  -2.797710      5.611872  
1 1 1 -15 63  11 o 130.113 3.1411  9214.40    442.664  8032.18    613.387  10499.31   639.470  121.112 4.6760  138.598 4.2598  -17.48661      6.325477  
1 1 1 -15 63  12 o 83.762  3.1236  3820.04    283.384  3309.77    388.495  4400.28    414.277  77.582  4.6447  89.691  4.2645  -12.10920      6.305495  
1 1 1 -15 63  13 o 87.055  3.1984  4129.49    301.577  3963.42    423.973  4299.58    429.062  84.881  4.6292  88.456  4.4931  -3.575500      6.451158  
1 1 1 -15 63  14 o 32.646  5.8734  607.185    200.042  862.846    269.079  291.293    299.100  38.856  6.6317  24.365  8.8168  14.49102       11.03248  
1 1 1 -15 63  15 o 72.202  2.6808  2837.81    209.641  2720.54    353.727  2901.30    260.279  70.175  4.6807  72.909  3.2960  -2.733162      5.724756  
1 1 1 -15 63  16 o 66.672  3.5781  2438.71    257.436  2414.61    371.856  2460.88    356.752  65.853  5.2574  66.576  4.9836  -0.7232056     7.244019  
1 1 1 -15 63  17 o 97.999  3.2246  5247.79    342.272  5113.89    489.762  5375.62    478.524  96.260  4.6975  98.779  4.4727  -2.519096      6.486257  
1 1 1 -15 63  18 o 123.061 3.2577  8285.42    434.208  8050.82    626.100  8502.81    602.695  120.594 4.7934  124.102 4.4838  -3.507790      6.563674  
1 1 1 -15 63  19 o 47.599  2.2473  1234.09    115.859  1005.85    332.270  1265.68    123.617  41.157  7.7379  48.189  2.3684  -7.032757      8.092245  
1 1 1 -15 63  20 o 24.476  6.8793  357.071    189.952  323.449    295.897  380.640    247.738  24.328  8.7747  25.315  8.0400  -0.9868336     11.90111  
1 1 1 -15 63  21 o 79.445  3.7011  3500.82    318.465  3331.02    482.463  3631.92    423.946  75.926  5.9135  80.070  4.9122  -4.143936      7.687552  
1 1 1 -15 63  22 o 37.510  7.1203  856.665    278.703  693.406    547.349  913.809    323.826  32.048  11.873  38.198  8.0794  -6.149849      14.36139  
1 1 1 -15 63  23 o 71.181  5.6296  2945.06    430.483  3065.39    580.779  2798.34    641.298  70.586  7.7226  65.787  9.2561  4.798759       12.05461  
1 1 1 -15 63  24 o 79.073  5.4402  3642.27    463.089  3936.01    629.571  3295.98    683.569  79.964  7.3514  70.972  9.1023  8.991982       11.70018  
1 1 1 -15 63  25 o 22.397  9.1393  247.210    350.338  164.517    466.560  354.110    530.475  22.837  9.9737  25.786  10.938  -2.948744      14.80225  
1 1 1 -15 63  26 o 22.720  9.2374  269.180    356.263  477.360    478.603  10.480     533.525  26.912  10.789  22.067  10.067  4.844816       14.75652  
1 1 1 -15 64  1  o 162.839 4.9767  14494.57   877.756  13813.49   1228.96  15203.78   1254.09  158.178 7.1734  166.034 6.9736  -7.856308      10.00444  
1 1 1 -15 64  2  o 206.242 3.5788  23146.89   799.442  22692.41   1030.45  23834.00   1267.02  203.863 4.6668  208.550 5.6092  -4.686615      7.296756  
1 1 1 -15 64  3  o 105.934 2.8391  6096.01    325.750  6371.61    476.715  5854.60    446.160  108.127 4.0706  103.663 3.9737  4.464317       5.688568  
1 1 1 -15 64  4  o 73.298  3.0381  2919.95    241.196  2854.37    335.084  2990.47    347.458  72.215  4.3036  73.912  4.3595  -1.697327      6.125901  
1 1 1 -15 64  5  o 250.812 4.7196  34369.08   1282.12  33317.55   1811.18  35425.30   1815.20  245.784 6.8036  253.568 6.6094  -7.784256      9.485381  
1 1 1 -15 64  6  o 211.570 4.1260  24411.23   945.480  24122.13   1337.17  24700.28   1337.05  209.556 5.8914  212.088 5.8205  -2.532211      8.281712  
1 1 1 -15 64  7  o 39.653  4.2634  867.867    180.227  862.206    252.398  873.757    257.437  39.130  6.1589  39.377  6.2445  -0.2468147     8.770750  
1 1 1 -15 64  8  o 37.609  6.8707  805.366    269.564  745.059    378.236  867.615    384.278  35.732  9.5780  38.537  9.3107  -2.804977      13.35766  
1 1 1 -15 64  9  o 147.542 3.3365  11850.76   533.182  11546.34   749.021  12163.46   759.148  145.241 4.7614  149.092 4.7011  -3.850723      6.691153  
1 1 1 -15 64  10 f 46.975  4.5463  1218.26    228.418  1167.66    264.799  1365.39    451.532  45.788  5.4462  48.576  8.9105  -2.787628      10.44314  
1 1 1 -15 64  11 o 99.278  3.0948  5364.81    332.782  4979.49    460.001  5787.89    482.022  95.387  4.4524  102.869 4.3263  -7.481857      6.208120  
1 1 1 -15 64  12 o 81.759  3.1126  3640.35    275.633  3542.85    376.826  3752.53    404.221  80.330  4.3472  82.630  4.5339  -2.300674      6.281293  
1 1 1 -15 64  13 o 135.726 3.2870  10044.30   483.208  10151.20   676.812  9933.16    690.101  136.007 4.5945  134.482 4.7378  1.524658       6.599708  
1 1 1 -15 64  14 o 207.179 4.0286  23505.32   903.992  22162.32   1274.27  24866.05   1282.65  199.922 5.8848  212.012 5.5857  -12.08920      8.113609  
1 1 1 -15 64  15 o 69.879  3.3000  2666.21    249.762  2446.40    346.419  2904.17    360.431  66.457  4.8461  72.510  4.6134  -6.052834      6.690866  
1 1 1 -15 64  16 o 25.682  6.8553  383.982    194.253  206.022    274.009  563.787    275.425  21.885  8.3372  30.874  8.1259  -8.988907      11.64214  
1 1 1 -15 64  17 o 48.699  4.6286  1319.79    241.202  1427.69    346.011  1217.79    336.414  50.029  6.5422  45.989  6.9724  4.040367       9.561120  
1 1 1 -15 64  18 o 26.745  7.0197  421.616    205.913  403.424    294.358  439.050    288.151  26.568  8.7896  27.408  8.6674  -0.8405361     12.34431  
1 1 1 -15 64  19 o 24.997  7.3128  369.593    210.561  81.442     296.564  662.512    299.007  19.747  8.2656  32.957  8.3628  -13.21023      11.75828  
1 1 1 -15 64  20 o 45.970  4.6452  1193.76    228.116  1581.18    346.770  898.211    302.876  52.154  6.2641  38.530  7.5275  13.62365       9.792987  
1 1 1 -15 64  21 o 14.283  6.4823  -93.2020   217.605  -228.6999  333.410  7.3474     287.212  16.403  7.6494  17.967  7.8365  -1.564051      10.95104  
1 1 1 -15 64  22 o 29.875  8.0283  564.198    265.340  679.768    445.660  500.733    330.255  31.702  10.818  28.013  9.3122  3.688932       14.27421  
1 1 1 -15 64  23 o 57.773  6.4466  1990.74    396.512  1826.81    530.637  2197.99    596.655  52.477  9.6930  57.371  9.9634  -4.893925      13.90051  
1 1 1 -15 64  24 o 21.803  9.0094  202.981    345.923  392.542    458.278  -48.0627   527.388  26.028  10.514  21.831  9.9787  4.197065       14.49576  
1 1 1 -15 64  25 o 43.726  8.3514  1252.13    381.096  966.251    512.008  1607.25    570.653  35.186  11.590  46.157  11.466  -10.97043      16.30336  
1 1 1 -15 65  1  o 63.396  4.9646  2211.01    338.165  1936.79    450.095  2566.43    512.419  58.780  7.2216  67.818  7.0804  -9.037949      10.11357  
1 1 1 -15 65  2  o 27.006  4.5543  408.926    128.477  325.915    176.484  502.520    187.396  23.952  6.5942  29.728  6.0263  -5.775921      8.933047  
1 1 1 -15 65  3  o 101.407 2.9240  5588.20    321.159  5391.96    450.508  5790.98    457.958  99.432  4.1832  103.059 4.1027  -3.627251      5.859277  
1 1 1 -15 65  4  o 122.803 3.1508  8200.23    419.080  8185.64    588.386  8215.25    597.045  122.450 4.4364  122.658 4.4941  -0.2084045     6.314970  
1 1 1 -15 65  5  o 105.747 2.9782  6078.65    341.108  6004.69    478.041  6155.35    486.878  104.907 4.2072  106.210 4.2324  -1.303169      5.967705  
1 1 1 -15 65  6  o 118.229 3.0237  7600.24    387.201  7839.56    551.752  7368.01    543.511  119.843 4.2507  116.168 4.3197  3.675156       6.060376  
1 1 1 -15 65  7  o 151.830 3.3064  12545.90   543.737  13140.74   774.626  11968.14   763.417  155.027 4.6133  147.901 4.7656  7.125809       6.632812  
1 1 1 -15 65  8  o 132.713 4.5773  9631.90    657.952  9692.36    928.172  9570.83    932.814  132.489 6.4681  131.626 6.5431  0.8627319      9.200480  
1 1 1 -15 65  9  o 3.9988  1.9069  -30.6575   22.934   -117.7282  202.821  -29.5298   23.082   13.743  6.2454  4.0548  1.9278  9.688214       6.536139  
1 1 1 -15 65  10 o 98.240  3.0485  5251.83    324.378  5002.80    446.380  5530.49    472.186  95.653  4.3086  100.565 4.3350  -4.912323      6.112004  
1 1 1 -15 65  11 o 127.868 3.1735  8904.76    439.516  8375.33    617.640  9447.88    625.575  123.622 4.6129  131.370 4.3965  -7.748428      6.372447  
1 1 1 -15 65  12 o 43.092  4.4467  1028.07    204.560  938.445    273.207  1142.43    308.598  40.667  6.4154  44.921  6.5342  -4.254360      9.157146  
1 1 1 -15 65  13 o 99.112  3.1662  5355.17    339.889  5399.79    485.542  5312.30    475.952  99.184  4.5198  98.393  4.4661  0.7912674      6.354091  
1 1 1 -15 65  14 o 124.893 3.2428  8510.74    438.662  7954.72    623.721  9054.95    617.057  120.215 4.7903  128.406 4.4368  -8.191902      6.529329  
1 1 1 -15 65  15 o 47.123  4.2591  1229.23    215.031  1149.67    304.259  1308.63    303.942  44.938  6.4349  48.155  5.9544  -3.216858      8.767103  
1 1 1 -15 65  16 o 58.959  3.8828  1914.38    246.563  2047.69    341.707  1769.57    356.126  60.575  5.2604  56.042  5.9584  4.533054       7.948268  
1 1 1 -15 65  17 o 20.816  7.0350  232.659    188.439  108.380    256.776  377.710    277.406  19.376  7.8552  25.866  8.5316  -6.489792      11.59711  
1 1 1 -15 65  18 o 68.286  3.8426  2573.86    283.048  2743.15    408.183  2417.06    392.837  69.856  5.4377  65.478  5.5928  4.377411       7.800564  
1 1 1 -15 65  19 o 31.651  6.4453  591.071    213.445  503.380    307.233  672.882    296.752  28.743  8.9290  33.120  8.2915  -4.377008      12.18507  
1 1 1 -15 65  20 f 20.840  7.4114  235.273    210.373  458.778    295.169  4.5298     299.911  27.283  8.7878  18.348  8.0052  8.935461       11.88730  
1 1 1 -15 65  21 o 36.065  6.5913  779.121    247.984  1036.17    403.180  622.702    314.511  39.907  9.4701  31.160  8.8851  8.746820       12.98566  
1 1 1 -15 65  22 o 37.792  8.7719  922.376    352.142  872.937    462.888  990.298    542.555  35.296  10.959  36.851  11.919  -1.554989      16.19141  
1 1 1 -15 65  23 o 33.663  9.3886  764.568    355.225  950.305    469.555  516.023    543.177  36.306  10.995  28.660  11.493  7.645784       15.90505  
1 1 1 -15 65  24 o 48.377  7.5813  1470.30    384.186  1695.11    515.738  1190.03    575.863  49.685  9.9309  38.826  12.250  10.85873       15.76997  
1 1 1 -15 65  25 o 26.106  9.6141  447.574    357.887  453.234    478.138  440.362    539.692  26.744  10.762  26.926  11.200  -0.1823559     15.53273  
1 1 1 -15 66  1  o 181.357 5.3044  18025.86   1041.93  17945.91   1463.86  18107.96   1483.37  179.882 7.5135  180.654 7.5811  -0.7718506     10.67356  
1 1 1 -15 66  2  o 170.831 3.6500  15894.19   675.343  15526.55   917.536  16328.83   997.645  168.416 5.0300  172.597 5.3367  -4.180435      7.333588  
1 1 1 -15 66  3  o 89.211  2.9057  4325.68    280.764  4289.52    393.493  4363.17    400.725  88.679  4.0968  89.431  4.1370  -0.7517776     5.822253  
1 1 1 -15 66  4  o 114.065 2.9834  7073.46    368.584  6894.86    516.344  7259.02    526.311  112.394 4.2416  115.330 4.2134  -2.935928      5.978562  
1 1 1 -15 66  5  o 168.679 3.5394  15494.42   646.628  15250.33   912.813  15740.29   916.136  166.866 5.0506  169.549 4.9888  -2.682449      7.099050  
1 1 1 -15 66  6  f 233.122 4.4432  29695.30   1121.89  29432.41   1585.53  29958.90   1587.67  231.028 6.3364  233.117 6.2880  -2.088943      8.926870  
1 1 1 -15 66  7  o 158.977 3.4717  13764.29   597.789  13923.73   846.213  13605.46   844.591  159.451 4.8998  157.601 4.9479  1.850143       6.963469  
1 1 1 -15 66  8  o 110.539 4.3901  6679.65    525.604  7228.55    742.312  6127.77    744.326  114.374 6.0133  105.074 6.5734  9.300369       8.908956  
1 1 1 -15 66  9  o 28.421  5.7348  460.180    170.445  500.236    220.863  401.195    268.014  29.450  7.0230  26.763  8.3439  2.686201       10.90606  
1 1 1 -15 66  10 o 124.709 3.1775  8469.24    429.188  8319.05    600.047  8626.56    614.124  123.257 4.4947  125.507 4.5177  -2.250351      6.372782  
1 1 1 -15 66  11 o 67.832  3.2423  2507.24    238.211  2301.09    328.948  2734.54    345.418  64.592  4.7349  70.489  4.5486  -5.896652      6.565773  
1 1 1 -15 66  12 o 75.624  3.2846  3118.58    269.037  3342.40    384.596  2904.11    376.484  77.910  4.5778  72.538  4.8193  5.371719       6.646939  
1 1 1 -15 66  13 o 104.166 3.1641  5916.68    356.987  5928.08    509.896  5905.72    499.963  103.894 4.5313  103.723 4.4503  0.1704559      6.351222  
1 1 1 -15 66  14 o 103.229 3.2678  5817.21    365.370  5633.79    513.518  6005.25    519.965  101.163 4.6866  104.478 4.5949  -3.314758      6.563381  
1 1 1 -15 66  15 o 48.002  4.7177  1281.87    242.110  1436.40    349.562  1139.40    335.652  50.245  6.5816  44.441  7.2212  5.804329       9.770546  
1 1 1 -15 66  16 o 67.281  2.7465  2467.54    200.142  2453.06    380.969  2473.06    235.216  66.283  5.3523  67.273  3.2282  -0.9897842     6.250433  
1 1 1 -15 66  17 o 28.364  6.9552  473.955    212.040  460.288    288.610  489.984    312.559  27.978  8.6480  28.823  9.0146  -0.8442001     12.49207  
1 1 1 -15 66  18 o 14.946  6.4852  -12.4339   194.581  20.516     278.086  -44.0412   272.361  18.269  7.8385  17.101  7.5397  1.167898       10.87612  
1 1 1 -15 66  19 o 18.090  7.3108  106.741    221.654  198.380    326.241  28.173     302.082  22.263  8.9141  18.882  8.1365  3.380962       12.06913  
1 1 1 -15 66  20 o 64.670  3.8590  2331.45    269.069  2516.19    389.532  2162.87    372.108  66.257  5.4772  61.280  5.6707  4.976784       7.883886  
1 1 1 -15 66  21 o 14.118  6.5253  -148.6982  234.404  -45.1941   409.190  -199.2537  285.977  20.226  9.0590  15.253  7.1036  4.973231       11.51196  
1 1 1 -15 66  22 o 42.903  8.5423  1174.06    382.998  1373.06    481.660  831.881    631.596  45.168  10.099  33.759  12.705  11.40926       16.22993  
1 1 1 -15 66  23 o 31.755  9.4954  685.289    351.855  787.795    466.615  550.179    535.705  33.022  11.071  29.006  11.485  4.016001       15.95167  
1 1 1 -15 66  24 o 25.559  9.5028  415.453    351.227  304.326    463.907  564.705    537.627  24.678  10.335  28.751  11.467  -4.072840      15.43659  
1 1 1 -15 66  25 o 28.264  9.3178  547.446    330.904  896.229    420.023  -23.2292   537.267  35.103  10.345  21.960  10.050  13.14231       14.42347  
1 1 1 -15 67  1  o 62.647  3.5471  2144.06    239.695  1623.78    451.654  2348.05    282.807  53.449  8.0517  65.493  4.0061  -12.04410      8.993298  
1 1 1 -15 67  2  o 132.583 3.0919  9560.05    443.994  8856.61    625.002  10276.70   630.843  127.302 4.5329  137.205 4.2450  -9.903275      6.210262  
1 1 1 -15 67  3  o 44.317  3.5538  1076.35    169.145  1160.59    236.394  987.975    242.122  45.807  4.8378  42.100  5.4369  3.707367       7.277650  
1 1 1 -15 67  4  o 80.847  2.9585  3553.69    259.059  3458.22    361.067  3654.99    371.901  79.484  4.2091  81.719  4.2162  -2.234428      5.957547  
1 1 1 -15 67  5  o 18.325  6.4145  165.278    157.078  -121.4134  223.868  443.299    220.456  14.555  6.5935  27.769  7.2512  -13.21423      9.800753  
1 1 1 -15 67  6  o 94.960  2.7580  4900.96    283.665  4884.05    432.571  4913.72    375.732  94.568  4.2232  94.955  3.6534  -0.3869705     5.584138  
1 1 1 -15 67  7  o 94.268  2.9484  4833.05    301.036  5217.67    427.857  4455.98    423.633  97.765  4.0406  90.294  4.3317  7.471085       5.923710  
1 1 1 -15 67  8  o 83.022  3.5395  3756.73    318.275  3759.39    559.664  3755.46    386.936  82.249  6.3311  82.767  4.3314  -0.5184479     7.670943  
1 1 1 -15 67  9  o 67.284  3.2763  2466.03    238.760  2556.96    326.978  2362.17    349.455  68.206  4.4505  65.425  4.9686  2.781097       6.670418  
1 1 1 -15 67  10 o 62.418  3.4162  2130.33    230.075  2025.69    310.094  2258.48    343.164  60.583  4.7642  63.932  4.9955  -3.348827      6.903090  
1 1 1 -15 67  11 o 21.390  6.8288  250.997    178.539  446.795    233.757  -23.1535   276.601  27.771  7.5658  17.855  7.7398  9.915703       10.82342  
1 1 1 -15 67  12 o 32.488  6.0086  602.677    203.641  938.954    281.913  235.749    294.481  40.564  6.6468  23.072  8.6769  17.49230       10.93020  
1 1 1 -15 67  13 o 129.221 3.2825  9112.91    459.417  8776.73    646.716  9455.40    652.752  126.294 4.7278  131.143 4.5955  -4.849243      6.593261  
1 1 1 -15 67  14 o 178.876 3.7597  17519.68   728.409  17059.56   1033.91  17973.12   1026.38  175.464 5.4403  180.236 5.2577  -4.771667      7.565749  
1 1 1 -15 67  15 o 29.937  6.6634  521.544    210.500  596.684    310.086  457.321    286.674  31.683  8.7482  28.064  8.6098  3.619251       12.27436  
1 1 1 -15 67  16 o 56.425  2.5933  1734.94    158.489  2059.21    336.527  1642.51    179.661  60.715  5.1666  54.756  3.0413  5.959053       5.995250  
1 1 1 -15 67  17 o 65.105  3.6962  2336.21    259.566  2258.90    369.062  2411.88    365.134  63.382  5.4285  65.613  5.1801  -2.230999      7.503476  
1 1 1 -15 67  18 o 11.907  2.3488  80.005     29.216   107.993    298.995  79.736     29.356   20.214  8.3664  11.885  2.3637  8.329563       8.693937  
1 1 1 -15 67  19 o 43.493  5.3232  1084.62    245.527  939.254    371.888  1196.95    326.901  38.527  9.0636  44.898  6.9467  -6.371117      11.41952  
1 1 1 -15 67  20 o 30.239  7.2441  560.013    234.140  699.567    328.363  415.664    333.957  33.060  8.9506  26.379  9.3426  6.681118       12.93820  
1 1 1 -15 67  21 o 21.251  7.7937  243.161    234.843  334.289    375.635  184.688    300.898  24.976  9.6972  21.153  8.5287  3.822388       12.91406  
1 1 1 -15 67  22 o 45.232  7.1483  1250.02    338.563  1291.46    436.415  1187.36    536.549  44.244  9.3971  40.331  11.638  3.913261       14.95795  
1 1 1 -15 67  23 o 22.163  8.7255  252.132    307.599  266.124    390.501  229.256    499.305  23.512  9.6280  24.389  10.485  -0.8765316     14.23487  
1 1 1 -15 67  24 o 21.044  8.7817  174.534    333.308  210.200    396.905  89.213     613.890  22.562  9.5094  24.099  10.918  -1.536911      14.47829  
1 1 1 -15 68  1  f 81.710  3.3902  3634.90    300.035  3452.37    542.451  3715.36    360.139  78.853  6.4068  82.519  4.0294  -3.666222      7.568603  
1 1 1 -15 68  2  o 114.222 3.0342  7095.52    375.371  6946.11    528.495  7247.63    533.247  112.767 4.3270  115.200 4.2737  -2.433617      6.081761  
1 1 1 -15 68  3  o 117.303 2.9853  7482.73    379.292  7483.69    533.470  7481.73    539.379  117.073 4.2071  117.047 4.2547  0.2617645E-01  5.983461  
1 1 1 -15 68  4  o 103.943 2.9146  5874.48    328.126  5905.92    459.511  5841.76    468.706  104.022 4.0785  103.435 4.1837  0.5876923      5.842760  
1 1 1 -15 68  5  o 142.747 3.2418  11091.06   501.211  11081.30   704.999  11101.02   712.703  142.330 4.5732  142.442 4.6196  -0.1121216     6.500367  
1 1 1 -15 68  6  o 136.794 3.2198  10185.80   477.049  9981.07    668.228  10398.59   681.258  135.063 4.5679  137.861 4.5625  -2.797699      6.456167  
1 1 1 -15 68  7  o 89.133  2.9556  4321.89    285.334  4228.19    400.973  4418.00    406.123  87.958  4.2089  89.918  4.1700  -1.960114      5.924870  
1 1 1 -15 68  8  o 32.417  6.0367  598.019    204.159  569.767    243.956  664.050    372.957  31.381  7.3130  33.724  9.6944  -2.342848      12.14336  
1 1 1 -15 68  9  o 41.861  4.0723  966.777    182.301  703.006    247.586  1279.13    269.422  35.017  6.7729  47.944  5.2756  -12.92739      8.585070  
1 1 1 -15 68  10 o 115.962 3.0919  7324.95    388.344  7003.26    537.755  7675.58    561.411  113.053 4.3917  118.360 4.3793  -5.306175      6.202039  
1 1 1 -15 68  11 o 71.442  2.6247  2776.47    203.098  2669.24    342.643  2834.55    252.172  69.590  4.5714  72.103  3.2290  -2.512672      5.596778  
1 1 1 -15 68  12 o 46.956  2.4123  1201.98    122.271  1421.01    303.339  1159.49    133.605  50.374  5.6575  46.079  2.6887  4.295250       6.263946  
1 1 1 -15 68  13 f 69.366  3.6858  2639.65    275.924  2650.19    398.036  2629.90    382.840  69.014  5.3671  68.812  5.1745  0.2018433      7.455340  
1 1 1 -15 68  14 o 55.019  4.0477  1669.48    239.518  1663.38    347.503  1674.99    330.589  54.340  6.0047  54.644  5.6681  -0.3047905     8.257317  
1 1 1 -15 68  15 o 96.737  3.2743  5114.85    343.072  4851.54    496.465  5355.50    474.627  93.556  4.9167  98.606  4.4440  -5.050095      6.627465  
1 1 1 -15 68  16 o 97.605  3.0714  5207.28    324.698  4820.46    482.072  5528.50    439.289  93.181  4.7928  100.231 4.0465  -7.050217      6.272531  
1 1 1 -15 68  17 o 66.513  3.6930  2441.26    264.997  2574.21    378.121  2312.94    371.493  67.700  5.1963  64.059  5.4047  3.640907       7.497496  
1 1 1 -15 68  18 o 57.997  2.6841  1840.49    168.606  1864.58    366.551  1834.03    189.886  56.936  6.0360  57.733  3.0475  -0.7968369     6.761716  
1 1 1 -15 68  19 o 32.458  6.7612  633.118    229.977  629.598    318.788  636.937    332.093  31.496  8.9330  31.600  9.1665  -0.1043167     12.79931  
1 1 1 -15 68  20 o 88.323  3.9611  4344.64    378.934  5252.69    677.636  3931.49    457.080  94.585  6.6570  83.134  5.1009  11.45174       8.386618  
1 1 1 -15 68  21 o 86.245  4.9229  4234.69    457.954  4565.65    618.997  3834.49    680.678  87.952  6.5447  78.909  8.0782  9.043610       10.39664  
1 1 1 -15 68  22 f 42.224  8.1211  1130.03    357.919  1374.53    434.826  616.271    630.305  45.880  9.0718  30.511  12.329  15.36913       15.30679  
1 1 1 -15 68  23 o 24.028  8.9476  345.210    311.629  -5.2486    396.499  911.506    504.018  19.935  8.9238  34.836  11.500  -14.90142      14.55658  
1 1 1 -15 68  24 o 24.596  9.0894  375.597    320.378  135.815    407.946  761.494    517.523  21.737  9.4110  31.811  11.584  -10.07375      14.92526  
1 1 1 -15 69  1  o 45.814  2.0476  1138.97    101.603  1143.97    114.703  1120.77    218.930  45.843  2.3176  45.044  4.5498  0.7985344      5.106050  
1 1 1 -15 69  2  o 60.972  2.9283  2021.61    193.379  1912.35    270.833  2135.25    276.205  59.015  4.2658  62.405  4.1094  -3.390217      5.923228  
1 1 1 -15 69  3  o 55.955  3.9912  1717.17    240.301  1725.63    274.320  1689.26    498.204  55.985  4.5636  54.228  8.7827  1.757290       9.897575  
1 1 1 -15 69  4  o 85.040  3.0121  3933.95    277.438  3830.60    387.690  4042.43    397.197  83.617  4.2953  86.013  4.2636  -2.396317      6.052046  
1 1 1 -15 69  5  o 102.505 3.0722  5717.51    341.090  5632.02    476.256  5807.54    488.734  101.497 4.3323  103.056 4.3785  -1.558983      6.159556  
1 1 1 -15 69  6  f 109.977 3.1039  6583.13    369.725  6729.38    521.168  6434.96    524.589  110.926 4.3379  108.440 4.4664  2.485634       6.226224  
1 1 1 -15 69  7  o 64.258  2.5356  2243.93    176.473  2419.18    317.613  2165.66    212.251  66.335  4.4463  63.072  3.1070  3.263737       5.424348  
1 1 1 -15 69  8  o 75.053  3.6082  3073.13    293.308  2932.66    353.832  3381.68    524.394  73.036  4.4947  77.920  6.2665  -4.884163      7.711786  
1 1 1 -15 69  9  o 109.897 3.0546  6577.48    363.584  6275.13    503.942  6905.72    525.081  107.034 4.3470  112.292 4.3172  -5.257858      6.126565  
1 1 1 -15 69  10 o 75.050  2.6400  3063.92    214.597  2998.38    347.904  3104.18    272.644  73.834  4.3699  75.442  3.3367  -1.607483      5.498089  
1 1 1 -15 69  11 o 79.788  2.7476  3465.23    237.445  3303.58    376.144  3572.32    306.154  77.449  4.5035  80.885  3.4946  -3.436417      5.700338  
1 1 1 -15 69  12 o 71.480  2.7717  2782.55    214.589  2750.39    384.606  2797.09    258.579  70.433  5.0756  71.577  3.3354  -1.144432      6.073466  
1 1 1 -15 69  13 o 66.700  2.6345  2422.28    190.326  2056.74    363.489  2560.36    223.398  60.654  5.5961  68.518  3.0103  -7.863838      6.354340  
1 1 1 -15 69  14 o 85.385  3.3549  3984.72    310.261  4010.85    436.447  3958.03    441.142  85.148  4.7514  84.552  4.8372  0.5963974      6.780437  
1 1 1 -15 69  15 o 105.928 3.3272  6138.78    381.734  6157.76    540.851  6119.94    538.862  105.548 4.7311  105.225 4.7281  0.3232651      6.688658  
1 1 1 -15 69  16 o 104.365 3.2592  5965.22    368.410  5851.03    523.956  6076.89    518.115  102.740 4.7085  104.776 4.5655  -2.036339      6.558531  
1 1 1 -15 69  17 o 39.220  6.0041  888.637    246.933  852.701    367.517  918.212    333.402  37.035  9.2026  38.935  8.1668  -1.899239      12.30379  
1 1 1 -15 69  18 o 15.783  1.7050  137.081    28.684   36.156     337.581  137.815    28.788   19.855  8.5786  15.826  1.7065  4.029271       8.746651  
1 1 1 -15 69  19 o 38.776  5.6453  873.168    230.132  870.798    330.524  875.399    320.614  37.326  8.3809  37.575  8.1153  -0.2488060     11.66607  
1 1 1 -15 69  20 o 21.270  7.9993  231.635    250.281  16.664     398.176  372.048    321.801  20.731  9.1294  25.251  9.1440  -4.520092      12.92130  
1 1 1 -15 69  21 o 30.976  9.0661  627.823    323.566  395.514    424.262  950.804    500.252  26.380  10.288  36.482  11.404  -10.10173      15.35861  
1 1 1 -15 69  22 o 19.314  8.3080  72.730     313.806  61.949     407.054  88.522     492.682  21.081  9.2583  22.854  10.105  -1.773386      13.70510  
1 1 1 -15 69  23 f 26.453  9.2071  457.671    323.396  552.084    418.738  318.119    509.088  28.454  10.411  25.437  10.748  3.016644       14.96383  
1 1 1 -15 69  24 o 24.532  9.0780  372.615    319.787  423.557    410.362  293.841    510.293  26.046  10.129  25.042  10.678  1.004158       14.71803  
1 1 1 -15 70  1  o 70.236  3.9384  2701.05    298.399  2761.38    483.607  2663.96    379.189  70.396  6.4131  69.501  5.0722  0.8945465      8.176486  
1 1 1 -15 70  2  o 56.595  2.2132  1738.96    135.667  1691.71    157.333  1875.98    267.899  55.794  2.6035  58.434  4.2623  -2.639404      4.994551  
1 1 1 -15 70  3  o 101.451 2.9642  5599.06    325.711  5328.02    456.989  5878.91    464.348  98.724  4.2738  103.734 4.1329  -5.009712      5.945235  
1 1 1 -15 70  4  o 33.056  4.5669  609.133    159.143  504.254    221.258  721.549    229.070  29.562  7.0157  35.672  6.1510  -6.110418      9.330273  
1 1 1 -15 70  5  o 109.825 2.9909  6563.30    355.769  6332.23    496.488  6807.17    510.052  107.611 4.2597  111.583 4.2203  -3.972557      5.996376  
1 1 1 -15 70  6  o 142.704 3.3310  11095.98   514.852  11292.76   716.082  10885.39   740.766  143.565 4.6051  140.861 4.8554  2.704285       6.691921  
1 1 1 -15 70  7  o 63.443  3.3035  2199.21    226.212  2249.25    314.860  2145.82    325.217  63.905  4.5793  62.346  4.8543  1.558807       6.673413  
1 1 1 -15 70  8  o 27.059  5.9842  420.324    170.729  469.819    224.288  352.133    263.262  28.468  7.2534  25.354  8.3088  3.114023       11.02942  
1 1 1 -15 70  9  o 56.790  2.2386  1752.10    137.697  1327.41    282.571  1884.35    157.686  48.769  5.4423  58.874  2.4729  -10.10484      5.977778  
1 1 1 -15 70  10 o 104.027 3.0712  5897.18    346.038  5616.57    486.137  6185.38    492.673  101.180 4.4360  106.226 4.2821  -5.046677      6.165606  
1 1 1 -15 70  11 o 34.231  5.4250  662.692    194.428  642.652    274.278  682.933    275.652  33.115  7.7793  34.182  7.6379  -1.067249      10.90208  
1 1 1 -15 70  12 o 28.626  6.4346  474.756    194.654  509.125    275.492  440.492    275.073  29.463  8.2861  27.630  8.4260  1.832153       11.81763  
1 1 1 -15 70  13 o 10.119  2.3512  57.922     25.277   92.776     268.220  57.609     25.390   19.484  7.9790  10.091  2.3644  9.393361       8.321941  
1 1 1 -15 70  14 o 34.877  6.1201  698.161    222.756  621.290    314.746  775.304    315.303  32.251  8.7763  36.129  8.2401  -3.877983      12.03839  
1 1 1 -15 70  15 o 13.492  6.1098  -95.7356   192.025  -348.0063  270.837  159.268    272.299  13.574  6.4951  20.758  8.1978  -7.183582      10.45899  
1 1 1 -15 70  16 o 42.873  5.5602  1046.59    252.111  966.095    378.687  1110.67    337.871  39.713  9.0106  43.394  7.4574  -3.680885      11.69633  
1 1 1 -15 70  17 f 77.923  3.4985  3345.24    295.268  3426.51    423.235  3268.19    412.130  78.011  5.0359  76.188  5.0225  1.822746       7.112396  
1 1 1 -15 70  18 o 91.186  3.0669  4572.21    302.900  4824.53    482.349  4407.93    389.212  92.524  4.8300  89.040  4.0358  3.484413       6.294147  
1 1 1 -15 70  19 o 36.109  6.5950  778.139    248.424  672.886    393.474  847.905    320.346  32.078  10.127  36.861  8.2318  -4.782742      13.05033  
1 1 1 -15 70  20 o 36.310  8.5015  838.681    328.449  1186.40    432.720  366.059    504.489  42.558  9.6145  26.928  10.975  15.62977       14.59093  
1 1 1 -15 70  21 o 38.464  9.0349  968.569    369.998  1227.44    530.948  724.180    515.889  41.281  11.466  32.112  11.586  9.169094       16.29994  
1 1 1 -15 70  22 o 26.475  9.5502  446.643    350.529  537.209    428.389  263.153    609.761  28.452  10.511  26.114  11.404  2.337479       15.50899  
1 1 1 -15 70  23 o 16.367  7.5629  -149.6617  314.644  -368.4797  411.898  156.926    487.557  16.870  8.0549  23.293  10.184  -6.423510      12.98418  
1 1 1 -15 71  1  o 25.044  5.8480  359.468    155.753  289.220    342.328  377.806    174.905  25.213  9.3801  25.639  6.3351  -0.4261608     11.31900  
1 1 1 -15 71  2  o 18.549  5.5275  191.863    119.385  100.562    166.229  289.123    171.569  16.667  6.4565  22.613  6.5970  -5.946743      9.230698  
1 1 1 -15 71  3  o 59.941  2.2902  1951.30    148.688  1912.06    174.107  2057.05    285.789  59.301  2.7107  61.169  4.3418  -1.867962      5.118550  
1 1 1 -15 71  4  o 61.212  3.1985  2046.07    211.319  2130.61    294.458  1956.28    303.444  62.243  4.3961  59.553  4.7438  2.690041       6.467543  
1 1 1 -15 71  5  o 101.843 2.9920  5645.32    330.037  5684.31    460.422  5604.11    473.331  101.953 4.1695  101.196 4.3185  0.7574615      6.002833  
1 1 1 -15 71  6  o 95.000  2.9969  4913.11    308.360  5010.17    431.517  4811.82    440.806  95.701  4.1630  93.747  4.3413  1.954674       6.014793  
1 1 1 -15 71  7  o 19.111  7.2688  148.501    208.065  201.422    351.727  120.012    258.060  23.672  9.3271  19.845  7.9344  3.827322       12.24538  
1 1 1 -15 71  8  o 37.084  1.9434  748.549    77.787   712.260    243.563  752.671    82.086   35.249  6.6228  37.176  2.0465  -1.926491      6.931759  
1 1 1 -15 71  9  o 103.514 3.0866  5839.20    346.059  5470.10    482.001  6231.87    497.154  99.852  4.4568  106.625 4.3049  -6.772232      6.196363  
1 1 1 -15 71  10 o 148.439 3.3628  12027.12   540.655  11380.50   757.665  12697.98   771.734  143.776 4.8654  151.959 4.6889  -8.182755      6.757062  
1 1 1 -15 71  11 o 175.847 3.6635  16912.74   697.748  16297.71   980.447  17543.88   993.208  171.715 5.2716  178.245 5.1446  -6.529831      7.365940  
1 1 1 -15 71  12 o 171.505 3.6268  16091.62   673.710  15683.49   948.768  16506.71   956.824  168.421 5.2011  172.845 5.1110  -4.424591      7.292020  
1 1 1 -15 71  13 o 108.120 3.2323  6385.81    378.525  6161.18    529.088  6621.34    541.768  105.727 4.6203  109.628 4.5627  -3.900772      6.493514  
1 1 1 -15 71  14 o 88.574  2.8986  4282.02    278.074  4215.24    433.104  4328.86    362.706  87.253  4.5992  88.818  3.7704  -1.565361      5.947093  
1 1 1 -15 71  15 o 22.178  7.3576  272.806    206.203  343.698    281.967  191.309    302.325  24.959  8.6022  21.999  8.6538  2.959442       12.20190  
1 1 1 -15 71  16 o 18.699  7.3800  131.355    220.553  498.043    350.875  -108.1672  283.581  28.854  9.5989  16.529  7.4604  12.32455       12.15710  
1 1 1 -15 71  17 o 15.176  6.6810  -31.2233   213.069  49.965     297.814  -116.3558  304.962  19.076  8.1463  16.957  7.6873  2.119446       11.20073  
1 1 1 -15 71  18 o 33.928  6.4327  683.911    227.735  598.123    329.167  762.674    315.405  30.700  9.1851  34.905  8.4363  -4.205076      12.47149  
1 1 1 -15 71  19 o 14.293  6.5039  -101.2565  220.883  64.452     336.324  -226.9450  292.909  20.050  8.6120  15.212  7.1189  4.838185       11.17342  
1 1 1 -15 71  20 o 36.907  9.6862  904.995    392.078  710.454    516.708  1169.04    601.970  32.201  11.598  39.669  12.526  -7.467560      17.07059  
1 1 1 -15 71  21 o 24.065  9.0308  332.074    318.652  469.457    419.389  144.448    490.114  27.424  10.346  23.552  10.256  3.872517       14.56802  
1 1 1 -15 71  22 o 34.759  9.0109  808.294    342.055  940.640    453.011  632.767    521.706  36.110  10.769  30.100  11.495  6.010376       15.75154  
1 1 1 -15 71  23 o 55.409  6.4688  1851.92    380.909  1761.62    512.054  1963.78    569.960  51.099  9.6045  53.302  10.245  -2.202805      14.04289  
1 1 1 -15 72  1  o 44.826  2.9965  1098.55    144.643  980.724    194.947  1242.85    215.743  42.115  4.3357  47.480  4.2398  -5.365627      6.064198  
1 1 1 -15 72  2  o 99.289  2.8504  5363.55    306.539  5093.72    429.803  5642.89    437.317  96.520  4.1113  101.622 3.9732  -5.101944      5.717471  
1 1 1 -15 72  3  o 54.743  3.3442  1639.32    197.334  1480.41    275.379  1807.06    282.918  51.688  4.9806  57.239  4.6024  -5.551453      6.781432  
1 1 1 -15 72  4  o 146.898 3.2776  11759.55   521.482  12180.32   734.859  11332.70   740.144  149.072 4.5513  143.713 4.7550  5.359024       6.582153  
1 1 1 -15 72  5  o 161.577 3.4815  14240.95   609.281  13529.71   855.945  14971.49   867.477  156.874 5.0376  165.111 4.8508  -8.236954      6.993404  
1 1 1 -15 72  6  o 51.336  3.7219  1446.64    205.538  1551.67    293.898  1346.09    287.555  52.849  5.2018  49.114  5.5001  3.735291       7.570295  
1 1 1 -15 72  7  o 86.796  3.7088  4115.27    348.660  4191.75    590.326  4074.30    432.073  86.674  6.3321  86.030  4.6543  0.6440887      7.858654  
1 1 1 -15 72  8  o 124.153 3.1637  8402.29    425.422  8105.71    596.877  8708.52    606.515  121.524 4.5347  125.995 4.4445  -4.470871      6.349575  
1 1 1 -15 72  9  o 96.117  3.0947  5036.40    322.172  4712.73    448.078  5382.81    463.558  92.647  4.4653  99.057  4.3206  -6.410889      6.213455  
1 1 1 -15 72  10 o 61.568  3.5676  2078.68    236.885  1883.95    325.115  2299.05    345.859  58.187  5.2140  64.387  4.9986  -6.200378      7.223000  
1 1 1 -15 72  11 o 90.171  3.1491  4436.42    307.551  4444.00    420.355  4427.70    451.162  89.953  4.3145  89.566  4.6668  0.3862457      6.355659  
1 1 1 -15 72  12 f 120.216 3.2213  7891.69    419.430  7654.92    587.425  8137.95    599.073  117.893 4.6004  121.578 4.5494  -3.685097      6.469999  
1 1 1 -15 72  13 o 103.987 3.1867  5909.04    358.916  6012.00    509.967  5807.97    505.235  104.421 4.5091  102.618 4.5457  1.802078       6.402714  
1 1 1 -15 72  14 o 64.904  2.6140  2296.99    183.759  2111.76    343.030  2371.53    217.618  61.412  5.2061  65.868  3.0504  -4.455410      6.033961  
1 1 1 -15 72  15 o 17.769  7.0661  108.911    203.607  231.276    295.927  -1.0867    280.575  22.569  8.6484  18.006  7.8002  4.562561       11.64636  
1 1 1 -15 72  16 o 40.424  5.4195  935.725    231.311  933.508    319.098  938.179    335.784  39.328  7.7669  39.228  8.1684  0.9920502E-01  11.27151  
1 1 1 -15 72  17 o 14.870  6.6515  -64.1671   219.850  -57.5149   343.147  -68.7990   286.337  18.718  8.3458  16.980  7.5934  1.738140       11.28326  
1 1 1 -15 72  18 o 26.070  8.1245  415.267    254.136  158.133    398.685  591.255    329.830  22.781  9.5625  30.484  9.2112  -7.702417      13.27732  
1 1 1 -15 72  19 o 23.067  8.9008  269.283    314.952  369.017    374.640  28.928     581.591  25.697  9.7584  24.208  10.824  1.489281       14.57359  
1 1 1 -15 72  20 o 27.600  9.1410  486.859    318.331  724.000    419.956  166.575    488.055  32.547  10.482  23.952  10.332  8.594492       14.71787  
1 1 1 -15 72  21 o 32.673  9.6467  724.204    364.918  745.394    524.671  704.349    507.883  32.222  11.675  31.562  11.479  0.6603451      16.37247  
1 1 1 -15 72  22 o 31.283  9.2759  662.485    336.823  580.036    446.455  771.414    513.161  29.138  10.737  32.365  11.568  -3.226856      15.78318  
1 1 1 -15 73  1  o 61.042  2.7386  2026.98    181.059  1570.47    246.936  2557.76    266.269  53.386  4.3072  68.364  3.6088  -14.97735      5.619251  
1 1 1 -15 73  2  o 18.016  6.5931  147.752    167.933  301.078    387.667  112.334    186.323  26.183  9.9305  17.587  6.8293  8.595459       12.05217  
1 1 1 -15 73  3  o 149.549 3.3102  12192.04   536.175  11984.38   756.299  12401.88   760.249  147.766 4.7255  150.342 4.6688  -2.575729      6.642903  
1 1 1 -15 73  4  o 28.972  0.9711  454.815    30.472   290.566    41.898   639.247    44.397   23.082  1.6876  34.342  1.1936  -11.26007      2.067056  
1 1 1 -15 73  5  o 102.429 2.9419  5712.40    326.375  6004.75    456.733  5407.35    466.550  104.772 4.0248  99.345  4.3359  5.427902       5.916037  
1 1 1 -15 73  6  o 96.371  3.0039  5058.54    313.546  5219.79    440.635  4893.16    446.259  97.637  4.1667  94.483  4.3608  3.153503       6.031401  
1 1 1 -15 73  7  o 31.453  8.4821  580.443    295.572  713.890    381.527  380.131    467.441  34.694  9.7490  28.759  10.905  5.935621       14.62762  
1 1 1 -15 73  8  o 55.849  3.6613  1711.97    220.250  1646.46    304.426  1783.92    319.049  54.388  5.2324  56.624  5.2624  -2.235229      7.420991  
1 1 1 -15 73  9  o 74.242  3.1847  3006.82    256.088  2911.79    351.435  3114.41    373.936  72.667  4.4871  75.122  4.6181  -2.455620      6.439071  
1 1 1 -15 73  10 o 118.987 3.1855  7725.48    410.527  7258.08    577.099  8204.31    584.111  114.846 4.6394  122.196 4.4134  -7.349174      6.403277  
1 1 1 -15 73  11 o 43.811  4.3862  1065.14    205.336  850.107    273.360  1343.57    311.055  38.411  6.8205  48.786  6.0140  -10.37523      9.093209  
1 1 1 -15 73  12 o 93.310  3.1581  4755.70    319.172  4792.47    450.046  4718.48    452.720  93.278  4.4546  92.534  4.5171  0.7447662      6.344090  
1 1 1 -15 73  13 o 61.400  3.8453  2078.20    254.431  1870.44    352.841  2303.25    367.231  57.615  5.7303  64.145  5.3341  -6.530731      7.828701  
1 1 1 -15 73  14 o 27.625  6.9375  451.602    207.289  445.910    297.780  456.952    288.730  27.551  8.8216  27.784  8.6600  -0.2337666     12.36188  
1 1 1 -15 73  15 o 29.163  7.3625  511.279    232.592  744.119    342.696  312.414    316.708  34.623  9.0407  24.483  9.0393  10.13997       12.78448  
1 1 1 -15 73  16 o 14.271  6.3768  -60.8521   201.489  238.301    285.730  -356.7520  284.173  22.265  8.5062  13.788  6.6120  8.477467       10.77379  
1 1 1 -15 73  17 o 18.603  7.5212  117.995    234.716  307.719    349.393  -38.0433   316.862  24.521  9.3971  18.252  8.0854  6.268925       12.39670  
1 1 1 -15 73  18 o 25.137  7.9228  383.862    240.924  156.167    388.044  526.691    307.335  22.499  9.4386  28.898  8.9228  -6.398542      12.98856  
1 1 1 -15 73  19 o 65.096  5.5798  2446.02    389.605  3084.14    519.161  1623.32    589.485  72.176  6.7182  48.324  11.440  23.85228       13.26677  
1 1 1 -15 73  20 o 23.022  9.2040  253.958    347.234  782.887    505.077  -220.0864  478.154  33.211  11.509  19.803  9.2102  13.40798       14.74072  
1 1 1 -15 73  21 o 21.111  8.8465  155.461    340.292  56.692     416.478  353.834    590.231  21.179  9.3315  26.968  11.491  -5.788677      14.80284  
1 1 1 -15 73  22 o 26.093  9.3091  434.516    332.147  365.315    440.443  525.762    505.753  25.593  10.319  28.439  11.191  -2.845339      15.22205  
1 1 1 -15 74  1  o 52.504  1.9281  1496.38    109.648  1457.44    122.837  1649.06    243.232  51.799  2.1895  54.739  4.1330  -2.939816      4.677142  
1 1 1 -15 74  2  f 91.382  2.9085  4546.32    287.869  4093.85    402.964  5017.89    411.383  86.445  4.3038  95.788  3.9652  -9.343079      5.851977  
1 1 1 -15 74  3  o 25.272  5.5242  365.746    146.993  510.880    197.676  186.231    219.847  29.806  6.3192  20.335  7.5265  9.471895       9.827593  
1 1 1 -15 74  4  o 130.498 3.1827  9282.06    449.854  9017.99    632.177  9552.96    640.280  128.198 4.5529  131.974 4.4793  -3.775345      6.386937  
1 1 1 -15 74  5  o 112.593 3.0133  6906.18    367.468  6865.84    514.567  6948.17    524.944  111.940 4.2441  112.590 4.3047  -0.6502457     6.045083  
1 1 1 -15 74  6  o 42.681  4.1633  1007.19    190.013  824.350    268.065  1191.82    269.377  37.910  6.7772  46.138  5.4988  -8.227997      8.727406  
1 1 1 -15 74  7  o 41.298  7.2330  982.136    311.744  886.733    405.722  1119.65    487.095  38.494  9.7272  43.036  10.535  -4.542725      14.33880  
1 1 1 -15 74  8  o 80.821  3.1424  3562.52    275.080  3868.64    386.922  3249.67    391.156  83.867  4.2737  76.711  4.7309  7.155983       6.375463  
1 1 1 -15 74  9  o 98.288  3.0801  5268.48    327.893  5337.99    455.516  5193.73    472.365  98.620  4.2645  97.209  4.4864  1.410675       6.189847  
1 1 1 -15 74  10 f 88.222  3.0688  4245.60    293.236  4094.85    411.774  4400.72    417.687  86.198  4.4255  89.505  4.3086  -3.307549      6.176445  
1 1 1 -15 74  11 o 107.279 3.1319  6284.00    363.915  5862.46    503.654  6744.49    526.406  103.168 4.5073  110.705 4.3902  -7.536804      6.292041  
1 1 1 -15 74  12 o 38.082  5.2454  819.096    210.614  917.570    288.479  706.696    308.204  39.781  6.9481  34.390  8.3565  5.390812       10.86773  
1 1 1 -15 74  13 o 55.231  3.9776  1687.66    236.350  1554.61    335.698  1818.43    332.819  52.280  6.0396  56.821  5.4757  -4.541218      8.152309  
1 1 1 -15 74  14 o 50.677  4.5948  1437.46    249.458  1541.07    357.915  1339.57    347.874  51.663  6.5430  47.956  6.8958  3.706783       9.505960  
1 1 1 -15 74  15 o 31.626  1.8756  546.292    63.963   668.277    320.108  541.219    65.279   32.753  8.8248  31.472  1.9243  1.281157       9.032204  
1 1 1 -15 74  16 o 32.333  6.9822  628.898    237.360  733.398    343.189  533.072    328.638  34.021  9.1252  29.252  9.2569  4.768536       12.99849  
1 1 1 -15 74  17 o 59.030  2.7153  1910.24    173.605  2086.46    398.006  1868.83    192.925  59.907  6.2248  58.211  3.0708  1.696178       6.941037  
1 1 1 -15 74  18 o 74.332  4.0820  3090.80    327.381  3782.19    544.145  2698.54    409.859  80.545  6.2872  68.503  5.5723  12.04253       8.401183  
1 1 1 -15 74  19 o 62.271  6.1206  2273.17    407.477  2279.69    516.987  2262.48    662.078  60.746  8.0564  57.624  11.010  3.122505       13.64242  
1 1 1 -15 74  20 o 56.237  6.2422  1873.70    373.800  1558.38    506.378  2251.26    554.107  48.132  10.038  59.255  8.9095  -11.12294      13.42192  
1 1 1 -15 74  21 o 32.478  9.7742  723.803    371.937  796.841    538.044  656.958    514.727  32.861  11.835  30.615  11.480  2.246639       16.48794  
1 1 1 -15 74  22 o 28.123  9.3960  526.155    336.111  886.870    450.052  71.237     505.415  35.071  10.792  22.749  10.137  12.32178       14.80663  
1 1 1 -15 75  1  o 10.611  4.6223  -17.2970   99.633   -0.1509    129.258  -42.3971   156.392  12.577  5.3687  12.939  5.7086  -0.3622885     7.836535  
1 1 1 -15 75  2  o 54.547  3.2537  1628.22    191.354  1345.02    266.694  1928.70    274.716  49.170  5.0810  59.163  4.3169  -9.992687      6.667262  
1 1 1 -15 75  3  o 120.307 3.0548  7887.00    398.051  7927.98    561.195  7845.52    564.679  120.253 4.3087  119.608 4.3588  0.6441040      6.128988  
1 1 1 -15 75  4  f 41.506  4.0074  951.533    177.916  958.180    247.101  944.377    256.378  41.256  5.6805  40.874  5.9669  0.3820610      8.238446  
1 1 1 -15 75  5  o 102.211 2.7480  5687.09    304.222  5568.86    430.487  5805.04    429.982  100.868 3.9404  103.009 3.8540  -2.140388      5.511748  
1 1 1 -15 75  6  o 94.301  3.0484  4847.35    311.357  4864.18    437.206  4830.02    443.513  94.167  4.2866  93.814  4.3649  0.3532715      6.117777  
1 1 1 -15 75  7  o 113.080 4.5886  7029.68    561.996  6712.07    771.565  7388.62    820.231  109.483 6.5364  114.836 6.6227  -5.352577      9.305097  
1 1 1 -15 75  8  o 96.108  3.0984  5037.45    322.526  4676.53    447.113  5428.99    465.695  92.250  4.4748  99.443  4.3237  -7.192780      6.222435  
1 1 1 -15 75  9  o 64.913  2.6351  2294.09    185.264  2442.35    330.363  2226.07    223.760  66.461  4.6181  63.774  3.2502  2.686615       5.647169  
1 1 1 -15 75  10 o 163.174 3.6495  14578.37   645.000  14282.38   874.402  14931.66   955.293  160.727 5.0229  164.096 5.3749  -3.369202      7.356547  
1 1 1 -15 75  11 o 166.633 3.7235  15224.90   672.025  14536.89   908.805  16055.02   998.253  161.891 5.1830  169.944 5.4233  -8.053085      7.501682  
1 1 1 -15 75  12 o 37.899  2.1263  783.823    86.930   777.000    290.956  784.491    91.091   36.221  7.6561  37.901  2.2288  -1.680145      7.973874  
1 1 1 -15 75  13 o 35.639  5.7343  729.938    213.842  790.749    292.916  660.542    312.910  36.392  7.6730  32.911  8.6607  3.481205       11.57080  
1 1 1 -15 75  14 o 15.026  6.6394  -42.7376   212.356  58.111     309.513  -132.4314  291.894  19.630  8.3418  16.454  7.4831  3.176079       11.20638  
1 1 1 -15 75  15 o 35.539  2.1508  691.239    82.398   922.657    330.954  675.946    85.077   38.803  8.1348  35.125  2.2481  3.677345       8.439690  
1 1 1 -15 75  16 o 37.472  5.9077  818.659    231.827  1056.16    340.281  612.940    316.694  41.658  7.8291  31.193  8.9233  10.46594       11.87096  
1 1 1 -15 75  17 o 37.078  1.9679  751.553    78.747   812.898    403.336  749.122    80.292   35.130  10.077  37.010  2.0106  -1.880249      10.27515  
1 1 1 -15 75  18 o 20.489  8.6435  108.620    328.394  445.785    464.044  -229.6384  464.797  27.821  10.785  19.648  9.1188  8.173620       14.12315  
1 1 1 -15 75  19 o 25.019  9.4478  357.370    349.925  17.912     507.960  663.956    482.739  22.652  10.123  31.266  11.215  -8.614275      15.10837  
1 1 1 -15 75  20 o 28.409  9.2672  529.414    327.637  571.207    437.254  475.908    494.752  29.274  10.650  27.941  11.045  1.333807       15.34334  
1 1 1 -15 75  21 o 50.825  7.4503  1597.40    397.951  1562.98    504.102  1654.33    648.290  47.954  10.028  46.446  12.577  1.508148       16.08570  
1 1 1 -15 76  1  o 65.201  2.8495  2315.15    201.228  1931.98    277.698  2738.80    291.999  59.185  4.3628  70.656  3.8299  -11.47099      5.805348  
1 1 1 -15 76  2  o 149.675 3.2904  12223.09   533.412  11514.78   752.507  12938.41   756.222  144.667 4.8026  153.473 4.5493  -8.806244      6.615201  
1 1 1 -15 76  3  o 112.359 3.0061  6879.75    365.831  6780.89    512.731  6982.26    522.124  111.201 4.2571  112.835 4.2723  -1.634003      6.031182  
1 1 1 -15 76  4  o 102.099 2.9251  5679.09    323.474  5565.88    476.828  5775.61    440.278  100.708 4.3715  102.710 3.9577  -2.002129      5.896903  
1 1 1 -15 76  5  o 57.239  3.3455  1794.30    206.505  1708.30    287.127  1886.45    297.217  55.509  4.8237  58.373  4.7420  -2.864197      6.764182  
1 1 1 -15 76  6  o 30.827  5.5840  541.375    179.579  414.917    254.726  666.331    253.208  26.862  8.0898  33.875  7.1271  -7.012283      10.78148  
1 1 1 -15 76  7  o 57.834  5.6536  1870.28    349.610  1599.98    460.750  2237.12    536.755  52.459  8.3921  62.318  8.1473  -9.859550      11.69638  
1 1 1 -15 76  8  o 149.148 3.3746  12152.97   545.142  11632.69   766.268  12686.15   775.714  145.235 4.8712  151.753 4.7195  -6.517624      6.782499  
1 1 1 -15 76  9  o 146.217 3.3709  11686.76   533.842  11570.23   752.994  11804.51   756.954  144.795 4.8014  146.267 4.7781  -1.471863      6.773723  
1 1 1 -15 76  10 o 94.450  3.0967  4872.25    316.791  5079.44    443.594  4656.59    452.562  96.074  4.2629  91.888  4.5473  4.186478       6.232985  
1 1 1 -15 76  11 o 75.167  3.1614  3089.93    257.385  3401.20    366.157  2785.90    361.877  78.417  4.3279  70.794  4.7470  7.622711       6.423717  
1 1 1 -15 76  12 o 40.957  1.8880  912.081    83.755   855.661    292.169  917.133    87.424   38.060  7.3537  41.063  1.9657  -3.003563      7.611915  
1 1 1 -15 76  13 o 88.252  3.2730  4276.11    312.856  4208.40    440.327  4345.15    444.594  86.808  4.7008  88.228  4.6691  -1.420547      6.625546  
1 1 1 -15 76  14 o 45.204  4.6502  1152.12    224.427  1132.31    328.039  1169.55    307.711  43.671  7.1852  44.719  6.5470  -1.048206      9.720617  
1 1 1 -15 76  15 o 17.263  7.0686  83.734     210.472  -110.2936  310.475  248.719    286.298  17.196  7.7795  22.480  8.5321  -5.284065      11.54635  
1 1 1 -15 76  16 o 24.556  8.2021  356.335    256.119  -20.8983   415.397  587.692    325.312  20.860  9.2483  30.479  9.1340  -9.619083      12.99848  
1 1 1 -15 76  17 o 31.545  9.1291  638.567    329.735  60.664     450.501  1305.40    483.923  22.404  9.7921  44.460  10.258  -22.05630      14.18141  
1 1 1 -15 76  18 o 42.202  8.2409  1116.24    363.168  1335.08    512.325  895.209    514.877  44.187  10.797  35.580  11.618  8.606583       15.86011  
1 1 1 -15 76  19 o 51.000  7.1153  1577.80    382.332  1460.44    483.522  1773.59    624.549  46.846  9.8424  49.757  11.773  -2.910229      15.34499  
1 1 1 -15 76  20 o 26.270  9.9853  418.480    392.492  297.984    523.727  572.856    592.802  25.729  10.888  29.749  11.979  -4.020342      16.18795  
1 1 1 -15 76  21 o 17.649  7.9448  -57.7692   319.154  -107.0863  426.173  5.2088     481.595  19.584  8.9586  21.770  9.7837  -2.186419      13.26563  
1 1 1 -15 77  1  o 84.424  2.7740  3881.03    253.658  3405.23    353.949  4383.42    363.703  78.705  4.1669  89.521  3.7510  -10.81521      5.606570  
1 1 1 -15 77  2  o 104.825 3.0132  5989.14    342.106  5888.02    483.237  6090.73    484.387  103.591 4.3069  105.379 4.2439  -1.787979      6.046542  
1 1 1 -15 77  3  o 74.007  2.5164  2979.45    201.707  3049.85    323.003  2934.44    258.254  74.513  4.0171  73.336  3.2513  1.177483       5.167992  
1 1 1 -15 77  4  o 91.639  2.9754  4576.59    295.324  4556.84    409.979  4597.89    425.770  91.169  4.1519  91.540  4.2943  -0.3707123     5.973217  
1 1 1 -15 77  5  o 88.440  3.0539  4264.55    292.535  4281.69    408.970  4246.60    418.614  88.332  4.2747  87.936  4.3952  0.3956451      6.131104  
1 1 1 -15 77  6  o 183.884 4.1193  18544.65   820.422  18215.79   1162.94  18870.49   1157.58  181.029 5.9312  184.360 5.7972  -3.330383      8.293714  
1 1 1 -15 77  7  o 162.225 4.0909  14439.32   718.795  14229.37   871.104  14887.26   1272.41  160.521 5.0103  162.499 7.2295  -1.977768      8.795953  
1 1 1 -15 77  8  o 115.616 3.1918  7300.31    399.684  7588.25    552.858  6985.06    578.490  117.452 4.3459  112.520 4.7468  4.932770       6.435744  
1 1 1 -15 77  9  f 111.105 3.1129  6742.60    374.606  6556.75    527.124  6932.24    532.462  109.074 4.4619  112.188 4.3820  -3.114319      6.253847  
1 1 1 -15 77  10 o 64.542  3.3993  2287.38    236.788  2106.91    329.327  2480.52    340.701  61.445  4.9916  66.795  4.7401  -5.349686      6.883687  
1 1 1 -15 77  11 o 24.605  6.8665  355.411    189.950  571.051    269.589  142.814    267.680  30.836  8.0025  20.237  8.0846  10.59849       11.37547  
1 1 1 -15 77  12 o 102.158 3.1919  5723.53    353.174  6109.27    501.656  5344.45    497.300  104.947 4.4133  98.011  4.6846  6.935722       6.436081  
1 1 1 -15 77  13 o 33.826  1.5776  621.810    57.799   287.254    289.883  635.661    58.983   23.472  8.6513  34.199  1.5924  -10.72743      8.796638  
1 1 1 -15 77  14 o 54.301  4.1828  1647.46    244.115  1927.79    342.863  1359.24    347.649  58.134  5.5111  48.050  6.8760  10.08365       8.812043  
1 1 1 -15 77  15 o 31.962  6.5345  608.394    218.579  658.505    295.957  548.260    324.205  32.525  8.3565  29.604  9.1683  2.921789       12.40520  
1 1 1 -15 77  16 o 54.985  4.6376  1708.06    273.615  2046.46    430.535  1478.78    354.385  58.834  6.8866  50.028  6.7093  8.805965       9.614575  
1 1 1 -15 77  17 o 21.610  8.8919  168.516    335.098  40.685     417.860  398.862    560.921  21.454  9.4025  28.075  11.523  -6.620258      14.87203  
1 1 1 -15 77  18 o 20.568  8.5287  141.519    311.534  206.184    372.283  -9.5610    569.035  22.735  9.3656  23.457  10.580  -0.7227211     14.12947  
1 1 1 -15 77  19 o 24.516  9.0538  352.576    317.764  154.711    423.902  606.381    480.099  22.687  9.7045  30.070  11.124  -7.383091      14.76209  
1 1 1 -15 77  20 o 19.746  8.4242  92.593     317.928  246.541    422.420  -108.5523  482.851  23.839  9.9119  20.770  9.5139  3.068987       13.73898  
1 1 1 -15 78  1  o 100.091 2.5019  5450.33    271.224  5166.11    355.984  5843.63    418.754  97.262  3.3792  103.347 3.7410  -6.084312      5.041277  
1 1 1 -15 78  2  o 182.269 3.6393  18166.71   718.456  17288.29   1019.51  19033.29   1012.62  176.838 5.3229  185.749 5.0333  -8.910950      7.325761  
1 1 1 -15 78  3  o 103.800 2.9871  5873.56    335.833  5682.29    469.711  6073.59    480.347  101.750 4.2621  105.210 4.2153  -3.460350      5.994536  
1 1 1 -15 78  4  o 111.353 3.0529  6762.29    368.203  6679.30    516.620  6847.97    524.914  110.280 4.3252  111.658 4.3404  -1.378242      6.127482  
1 1 1 -15 78  5  o 32.131  2.5847  565.579    89.191   1004.72    252.796  503.142    95.321   42.199  5.6747  30.238  2.9480  11.96114       6.394762  
1 1 1 -15 78  6  o 70.475  3.3568  2714.19    256.228  2630.75    356.543  2803.32    368.474  68.899  4.8079  71.132  4.8110  -2.232849      6.801581  
1 1 1 -15 78  7  o 50.368  3.9522  1400.25    213.878  1505.40    300.670  1292.54    304.302  51.817  5.4385  47.789  6.0122  4.027885       8.106968  
1 1 1 -15 78  8  o 106.282 3.1320  6171.22    360.544  6366.07    501.460  5962.70    518.752  107.530 4.3056  103.944 4.6078  3.586067       6.306350  
1 1 1 -15 78  9  o 91.503  3.0859  4576.48    305.839  4708.19    430.822  4442.68    434.241  92.408  4.3045  89.702  4.4695  2.705711       6.205202  
1 1 1 -15 78  10 f 40.476  4.5741  918.105    197.010  975.896    272.871  855.179    284.735  41.150  6.3247  38.159  7.1520  2.991276       9.547451  
1 1 1 -15 78  11 o 81.067  3.2020  3603.48    281.149  3516.02    392.516  3695.63    402.898  79.444  4.5811  81.452  4.5856  -2.007767      6.481818  
1 1 1 -15 78  12 o 63.156  3.6590  2206.56    249.219  2030.50    353.607  2380.33    351.303  59.776  5.5242  65.009  5.0284  -5.233578      7.470006  
1 1 1 -15 78  13 o 23.126  7.3441  312.555    206.714  498.427    302.967  150.656    282.754  28.508  8.8686  20.499  8.2666  8.008812       12.12387  
1 1 1 -15 78  14 o 20.479  7.1277  228.278    193.818  266.509    289.969  197.405    260.580  22.923  8.6123  20.924  8.0899  1.999489       11.81598  
1 1 1 -15 78  15 o 63.855  4.2781  2283.51    294.173  2292.21    504.709  2279.04    362.026  61.788  7.7095  63.221  5.3369  -1.433590      9.376461  
1 1 1 -15 78  16 o 33.628  9.1193  726.347    340.531  786.996    441.013  636.792    535.905  34.277  10.706  31.503  11.733  2.774487       15.88338  
1 1 1 -15 78  17 o 50.673  6.1426  1506.88    330.246  1363.21    424.337  1727.55    525.923  46.408  8.7633  51.503  9.7857  -5.095051      13.13604  
1 1 1 -15 78  18 o 18.812  8.2049  25.883     314.815  -264.9626  423.758  384.126    470.301  18.270  8.5542  26.649  10.691  -8.378428      13.69225  
1 1 1 -15 78  19 o 31.654  9.5204  671.650    352.948  838.075    503.128  510.395    495.253  34.079  11.495  28.533  11.119  5.545994       15.99291  
1 1 1 -15 78  20 f 18.168  8.3721  -154.6654  381.644  75.767     509.710  -448.6830  575.755  23.052  10.231  19.925  9.5164  3.126369       13.97271  
1 1 1 -15 79  1  f 117.822 2.7338  7562.38    348.865  7004.77    490.505  8133.21    496.283  113.014 4.0072  121.869 3.7598  -8.854889      5.494910  
1 1 1 -15 79  2  o 140.874 3.0973  10829.13   472.587  10348.47   666.795  11314.27   669.894  137.144 4.4889  143.489 4.3104  -6.344894      6.223343  
1 1 1 -15 79  3  o 88.432  2.9627  4264.82    283.774  4185.03    397.661  4347.61    405.075  87.293  4.2060  88.973  4.2035  -1.680168      5.946369  
1 1 1 -15 79  4  o 38.831  4.3612  839.117    180.251  773.809    250.469  909.275    259.602  36.666  6.5471  39.927  6.2044  -3.260952      9.019929  
1 1 1 -15 79  5  o 116.923 3.1600  7465.47    400.183  7425.32    561.803  7506.83    570.179  116.129 4.4666  116.746 4.5092  -0.6172943     6.346904  
1 1 1 -15 79  6  o 110.499 3.1433  6669.19    376.196  6584.96    527.649  6756.28    536.506  109.329 4.4559  110.735 4.4732  -1.405762      6.313891  
1 1 1 -15 79  7  o 46.158  4.2112  1181.87    208.217  970.747    292.566  1398.55    296.400  40.986  6.8308  49.822  5.5891  -8.835102      8.826024  
1 1 1 -15 79  8  o 68.473  3.3725  2567.99    250.118  2529.50    343.839  2611.24    364.506  67.437  4.7376  68.440  4.9507  -1.003899      6.852256  
1 1 1 -15 79  9  o 70.209  3.3478  2702.20    254.578  2780.65    352.174  2616.34    368.431  70.693  4.6250  68.407  5.0074  2.286346       6.816490  
1 1 1 -15 79  10 o 39.769  4.8514  892.650    204.638  914.132    294.095  872.485    284.926  39.374  7.1598  38.472  7.0993  0.9020844      10.08282  
1 1 1 -15 79  11 o 29.511  6.1843  512.129    191.348  407.975    262.869  629.519    279.073  26.197  8.2778  32.137  8.0381  -5.939707      11.53835  
1 1 1 -15 79  12 o 18.262  6.9855  145.599    192.849  178.610    274.558  113.453    270.936  20.888  8.2372  19.542  8.0129  1.345795       11.49165  
1 1 1 -15 79  13 o 39.068  5.1647  872.303    213.184  1163.07    328.588  660.948    280.148  44.284  7.0898  32.823  7.9618  11.46165       10.66094  
1 1 1 -15 79  14 o 43.102  2.6334  1020.74    122.349  1651.78    334.264  923.118    131.472  53.530  5.8611  40.895  2.9889  12.63544       6.579175  
1 1 1 -15 79  15 o 29.152  7.7186  524.256    247.550  680.229    393.819  422.371    318.294  32.335  10.120  26.519  9.1396  5.816563       13.63601  
1 1 1 -15 79  16 o 33.360  8.5642  707.431    311.023  438.029    443.952  967.108    435.865  27.586  10.588  37.979  10.325  -10.39390      14.78841  
1 1 1 -15 79  17 o 59.942  5.9575  2096.92    381.652  2627.32    525.683  1505.74    554.984  65.826  7.5075  46.664  11.136  19.16262       13.43005  
1 1 1 -15 79  18 o 49.086  6.8618  1452.71    354.835  1362.07    431.363  1642.38    624.011  45.906  8.9973  47.405  12.110  -1.498135      15.08624  
1 1 1 -15 79  19 o 27.274  9.0156  477.760    309.711  519.115    364.668  370.729    586.662  28.233  9.7797  27.379  11.552  0.8538227      15.13556  
1 1 1 -15 80  1  o 40.562  3.6044  907.733    156.703  850.405    215.554  971.992    228.211  38.844  5.2586  41.594  5.1777  -2.750217      7.379836  
1 1 1 -15 80  2  o 78.455  2.4389  3350.29    207.244  3375.58    256.662  3302.91    351.307  78.646  3.0131  77.404  4.2062  1.242073       5.174037  
1 1 1 -15 80  3  o 76.359  3.0101  3182.32    248.947  3331.55    351.843  3032.71    352.285  77.737  4.1943  74.089  4.4100  3.648422       6.086081  
1 1 1 -15 80  4  o 49.018  3.7565  1324.88    197.922  1497.37    275.747  1141.57    284.254  51.797  4.9764  44.846  6.0027  6.950592       7.797258  
1 1 1 -15 80  5  o 94.133  3.1011  4840.92    316.176  4940.11    442.967  4737.90    451.434  94.705  4.3185  92.681  4.4971  2.024162       6.234830  
1 1 1 -15 80  6  o 60.511  5.6086  2058.81    363.407  1965.79    487.056  2175.63    545.820  58.066  7.9534  60.827  8.5184  -2.761196      11.65418  
1 1 1 -15 80  7  o 89.863  2.6233  4404.29    255.326  4353.50    361.561  4454.82    360.611  89.015  3.7501  90.064  3.6967  -1.048195      5.265873  
1 1 1 -15 80  8  o 82.039  3.2512  3687.71    288.888  3496.62    394.070  3909.71    424.752  79.298  4.6080  83.824  4.6973  -4.525200      6.580193  
1 1 1 -15 80  9  o 36.309  5.1696  750.230    197.560  788.704    271.918  707.215    287.517  36.517  7.1309  34.249  7.9104  2.267929       10.65003  
1 1 1 -15 80  10 o 68.994  2.7083  2603.05    202.388  2733.56    370.625  2547.60    241.588  69.768  4.9365  68.104  3.2752  1.664200       5.924198  
1 1 1 -15 80  11 o 59.098  2.5253  1908.36    161.643  2181.74    326.862  1819.86    185.975  62.262  4.8862  57.532  2.9949  4.730118       5.730966  
1 1 1 -15 80  12 o 43.857  4.5006  1082.54    210.758  777.159    312.391  1337.66    285.532  35.534  8.2716  48.351  5.5531  -12.81715      9.962757  
1 1 1 -15 80  13 f 21.694  7.4187  263.660    209.580  156.230    308.891  355.304    285.296  21.120  8.5959  24.861  8.6480  -3.740637      12.19332  
1 1 1 -15 80  14 o 58.328  2.8492  1866.88    179.997  2268.03    474.249  1799.37    194.554  61.827  7.2179  57.096  3.1583  4.731331       7.878671  
1 1 1 -15 80  15 o 21.250  8.1477  217.761    262.744  255.749    383.209  184.060    360.943  23.961  9.6373  22.427  9.2284  1.533222       13.34320  
1 1 1 -15 80  16 o 32.659  8.2827  674.809    293.415  554.205    360.988  909.612    503.690  29.350  9.7349  36.061  11.465  -6.710932      15.04066  
1 1 1 -15 80  17 o 17.187  7.8433  -121.8646  324.193  -438.5086  415.129  373.138    519.041  16.705  8.0058  27.033  11.088  -10.32759      13.67636  
1 1 1 -15 80  18 o 49.002  6.9220  1450.02    357.149  1407.62    479.673  1502.77    535.015  45.877  9.9405  46.626  10.805  -0.7489510     14.68232  
1 1 1 -15 80  19 o 39.031  8.3229  972.215    341.111  1066.13    461.592  859.221    506.311  39.097  10.624  34.505  11.532  4.592285       15.67965  
1 1 1 -15 81  1  o 45.741  3.4434  1152.00    169.342  1149.98    234.354  1154.20    244.969  45.340  4.8473  45.356  5.0735  -0.1609421E-01 7.016867  
1 1 1 -15 81  2  o 77.592  2.9739  3287.70    249.929  3033.01    351.593  3547.85    355.343  74.037  4.4044  80.204  4.1043  -6.166359      6.020294  
1 1 1 -15 81  3  o 37.383  4.3827  780.640    174.087  858.427    247.732  704.752    244.690  38.706  6.1122  34.797  6.7359  3.908928       9.095696  
1 1 1 -15 81  4  o 51.336  3.6629  1453.18    202.333  1286.23    280.786  1633.50    291.817  47.728  5.5344  54.028  5.0452  -6.300484      7.488882  
1 1 1 -15 81  5  o 44.346  2.1194  1069.91    101.798  994.776    281.495  1081.22    109.188  41.549  6.4654  44.507  2.2726  -2.958134      6.853194  
1 1 1 -15 81  6  o 69.598  5.2297  2714.39    391.348  2705.77    528.117  2724.89    582.817  68.464  7.2313  68.224  8.0418  0.2407532      10.81492  
1 1 1 -15 81  7  o 57.037  3.7518  1797.58    230.478  2099.60    325.417  1493.60    326.475  61.227  4.9495  51.162  6.0058  10.06499       7.782474  
1 1 1 -15 81  8  o 78.742  3.3211  3403.44    283.243  3204.92    396.543  3610.23    404.714  75.690  4.8628  80.451  4.6646  -4.761299      6.738326  
1 1 1 -15 81  9  o 48.317  4.2257  1303.27    218.917  1312.78    297.933  1292.10    322.742  47.847  5.8723  47.184  6.4869  0.6629448      8.750083  
1 1 1 -15 81  10 o 18.964  6.8699  180.578    181.663  158.867    253.441  203.520    260.526  20.042  7.9108  21.148  8.1121  -1.105206      11.33083  
1 1 1 -15 81  11 o 25.712  6.7786  395.165    191.461  309.764    265.967  487.021    275.836  23.650  8.3416  28.237  8.3992  -4.587063      11.83760  
1 1 1 -15 81  12 o 59.230  3.8400  1949.48    245.018  1864.85    349.714  2031.07    343.388  57.044  5.7380  59.755  5.3627  -2.711227      7.853918  
1 1 1 -15 81  13 o 68.770  4.0855  2637.93    302.947  2911.68    506.752  2485.69    377.913  70.582  6.7095  66.084  5.3251  4.497581       8.565847  
1 1 1 -15 81  14 o 22.562  8.1957  276.234    258.804  512.214    382.404  76.799     351.549  28.768  10.012  20.664  8.8383  8.103411       13.35493  
1 1 1 -15 81  15 o 73.307  4.8227  3044.24    380.781  3250.94    503.124  2767.08    582.585  74.647  6.2812  67.217  8.1702  7.430229       10.30564  
1 1 1 -15 81  16 o 46.672  6.3243  1287.95    311.467  1199.01    450.225  1369.58    431.343  42.504  9.9547  46.359  8.9143  -3.854607      13.36262  
1 1 1 -15 81  17 o 17.896  7.6990  42.061     269.548  217.579    351.823  -207.3847  419.423  22.524  9.1713  18.673  8.6647  3.851784       12.61704  
1 1 1 -15 81  18 o 18.658  8.1427  24.918     310.490  -179.6591  414.534  286.364    468.621  18.789  8.6816  25.160  10.449  -6.371208      13.58473  
1 1 1 -15 82  1  o 19.688  5.6579  222.372    127.055  217.793    166.987  228.666    195.796  19.967  6.6209  20.757  7.1674  -0.7906055     9.757510  
1 1 1 -15 82  2  o 25.726  5.4933  382.985    148.412  357.668    213.126  406.819    206.789  24.761  7.3869  26.262  7.1000  -1.500702      10.24580  
1 1 1 -15 82  3  o 30.951  1.4047  519.876    47.091   520.082    48.147   515.335    226.062  30.955  1.4360  29.492  7.1510  1.463114       7.293721  
1 1 1 -15 82  4  o 24.104  6.3558  340.345    168.302  571.818    233.358  89.430     242.961  31.081  7.0890  18.530  7.5918  12.55060       10.38702  
1 1 1 -15 82  5  o 78.866  3.1690  3407.10    270.697  3481.74    373.703  3324.71    392.644  79.207  4.3730  77.243  4.7158  1.963982       6.431308  
1 1 1 -15 82  6  o 87.663  4.8352  4290.16    457.316  4609.93    625.859  3923.84    669.868  89.834  6.4757  82.028  7.6271  7.805305       10.00539  
1 1 1 -15 82  7  o 70.033  3.3327  2693.54    252.792  2854.18    351.246  2520.93    364.105  71.526  4.5577  66.977  5.0564  4.549423       6.807336  
1 1 1 -15 82  8  o 54.081  3.9714  1625.18    231.003  1318.82    323.731  1942.98    329.726  47.701  6.4298  58.628  5.2481  -10.92684      8.299667  
1 1 1 -15 82  9  o 48.564  4.3493  1320.00    226.350  1359.32    316.015  1278.58    324.363  48.532  6.1499  46.847  6.5736  1.684799       9.001863  
1 1 1 -15 82  10 o 80.781  3.2434  3586.64    283.782  3730.50    399.581  3440.24    403.098  81.701  4.5333  78.317  4.7749  3.384811       6.584118  
1 1 1 -15 82  11 o 82.738  3.2552  3765.21    291.713  4000.06    408.926  3521.85    416.261  84.591  4.4792  79.128  4.8808  5.463211       6.624573  
1 1 1 -15 82  12 o 28.882  2.1133  457.279    65.648   653.086    386.047  451.448    66.618   31.943  10.023  28.688  2.1598  3.255054       10.25310  
1 1 1 -15 82  13 o 67.687  5.0640  2598.03    368.558  3043.23    508.932  2107.09    534.443  72.204  6.5799  58.443  8.7090  13.76101       10.91522  
1 1 1 -15 82  14 o 63.098  5.3543  2278.30    362.469  2250.70    497.943  2309.40    528.651  61.034  7.7041  61.477  8.1395  -0.4427223     11.20737  
1 1 1 -15 82  15 o 56.479  5.4748  1838.13    330.704  1359.93    477.782  2277.95    458.204  45.454  9.9784  61.832  6.9631  -16.37803      12.16767  
1 1 1 -15 82  16 o 21.813  8.3210  243.565    273.169  107.278    398.364  364.532    375.306  21.777  9.3638  25.471  9.7445  -3.693888      13.51428  
1 1 1 -15 82  17 o 17.193  7.7770  -87.3129   310.094  -272.7997  402.879  182.306    485.728  17.707  8.3064  24.133  10.357  -6.426277      13.27655  
1 1 1 -15 83  1  o 18.549  5.8359  192.916    130.774  121.902    174.918  282.917    196.917  17.270  6.6417  22.314  7.1767  -5.044544      9.778374  
1 1 1 -15 83  2  o 53.822  3.4230  1596.58    198.503  1587.90    279.647  1605.39    281.816  53.191  4.9094  53.481  4.9203  -0.2902260     6.950660  
1 1 1 -15 83  3  o 84.010  3.0352  3864.16    276.181  3696.36    389.880  4033.17    391.283  81.554  4.4305  85.391  4.2307  -3.836708      6.125991  
1 1 1 -15 83  4  o 66.371  3.2357  2416.16    232.607  2466.20    319.706  2359.87    339.057  66.539  4.4620  64.916  4.8574  1.622765       6.595731  
1 1 1 -15 83  5  o 73.748  3.2190  2983.99    257.124  3346.63    365.295  2627.89    361.984  77.568  4.3658  68.462  4.9144  9.105560       6.573513  
1 1 1 -15 83  6  o 33.894  8.6637  707.157    319.263  740.931    423.158  662.526    486.439  34.197  10.455  32.702  11.297  1.495926       15.39267  
1 1 1 -15 83  7  o 49.067  4.2178  1343.94    221.977  1419.65    301.392  1254.19    328.158  49.854  5.6832  46.346  6.7345  3.508266       8.812057  
1 1 1 -15 83  8  o 77.258  3.3067  3280.43    276.697  3270.27    382.125  3291.62    401.188  76.473  4.6354  76.604  4.8605  -0.1305237     6.716495  
1 1 1 -15 83  9  o 20.632  7.1106  232.032    192.657  249.320    260.930  211.311    285.663  22.173  8.2011  21.797  8.4583  0.3756943      11.78138  
1 1 1 -15 83  10 o 20.901  7.1181  242.061    192.930  283.819    263.316  193.659    283.488  22.973  8.2787  21.353  8.3862  1.619661       11.78416  
1 1 1 -15 83  11 o 20.491  7.5099  214.057    218.001  281.088    361.674  175.807    273.209  24.300  9.4928  20.728  8.2033  3.571905       12.54621  
1 1 1 -15 83  12 o 32.945  8.0738  671.964    285.851  478.267    392.438  890.882    417.207  28.255  10.115  36.934  10.127  -8.678823      14.31275  
1 1 1 -15 83  13 o 31.265  8.4294  614.584    291.948  800.363    399.328  401.264    427.906  34.904  10.031  26.992  10.386  7.912144       14.43902  
1 1 1 -15 83  14 o 38.897  7.0626  913.594    286.584  1092.61    422.334  760.812    390.159  40.920  9.6804  33.939  9.9618  6.981518       13.89054  
1 1 1 -15 83  15 o 27.563  8.9264  479.269    304.244  584.940    411.438  351.768    451.941  29.973  10.388  26.166  10.487  3.807474       14.76043  
1 1 1 -15 83  16 o 24.688  8.4763  368.420    273.649  392.205    341.490  325.739    457.445  25.697  9.4021  25.729  10.465  -0.3234863E-01 14.06813  
1 1 1 -15 83  17 o 22.513  8.4656  273.122    280.293  468.737    409.862  101.260    384.173  27.576  10.263  21.376  9.1936  6.199291       13.77852  
1 1 1 -15 84  1  o 18.326  5.9145  186.698    133.654  213.617    187.825  159.086    190.229  20.078  7.0150  18.613  6.9790  1.465055       9.895288  
1 1 1 -15 84  2  o 57.658  2.2793  1812.38    142.342  1754.56    162.537  2002.62    294.849  56.666  2.6483  59.848  4.5834  -3.182735      5.293507  
1 1 1 -15 84  3  o 36.322  4.6146  744.738    177.447  768.208    238.889  715.850    265.037  36.298  6.3051  34.627  7.2969  1.670712       9.643590  
1 1 1 -15 84  4  o 75.563  3.1886  3133.14    260.966  3173.79    364.431  3090.37    373.872  75.450  4.4796  74.358  4.6658  1.091393       6.468145  
1 1 1 -15 84  5  o 36.135  1.6947  709.831    66.328   589.389    269.464  717.599    68.433   31.130  7.9606  36.329  1.7392  -5.198826      8.148366  
1 1 1 -15 84  6  o 76.039  5.0914  3252.41    416.895  3139.90    566.527  3385.29    615.696  73.352  7.2245  75.908  7.5904  -2.556107      10.47897  
1 1 1 -15 84  7  o 78.909  3.2677  3421.23    279.276  3392.04    389.889  3452.00    400.226  77.877  4.6434  78.519  4.7281  -0.6421204     6.626968  
1 1 1 -15 84  8  o 45.227  4.4029  1147.52    212.943  943.240    291.794  1380.27    311.461  39.914  7.0051  48.960  5.9990  -9.045334      9.222728  
1 1 1 -15 84  9  o 71.770  2.9767  2825.35    231.389  3072.58    519.265  2764.09    258.469  72.773  6.6619  70.862  3.3676  1.910789       7.464670  
1 1 1 -15 84  10 o 32.177  7.1434  624.154    242.466  806.705    388.895  508.067    310.121  35.445  9.8012  28.693  8.9803  6.751905       13.29320  
1 1 1 -15 84  11 o 23.341  8.3577  300.710    267.957  59.379     374.627  553.507    383.423  21.023  9.0602  29.778  10.035  -8.755268      13.52002  
1 1 1 -15 84  12 o 21.802  8.3364  231.342    274.591  443.893    378.111  -5.8462    399.425  27.382  9.9124  20.650  9.1163  6.731268       13.46710  
1 1 1 -15 84  13 o 41.282  6.6402  1013.42    286.836  574.116    424.846  1381.41    388.837  30.021  10.547  47.575  7.8176  -17.55395      13.12836  
1 1 1 -15 84  14 o 13.388  6.4333  -343.4910  272.024  -489.2846  367.748  -167.3313  404.235  15.162  7.3337  18.848  8.6597  -3.685458      11.34780  
1 1 1 -15 84  15 o 22.865  8.3366  292.654    268.138  190.529    336.078  471.519    444.773  21.899  8.9454  27.966  10.630  -6.067385      13.89283  
1 1 1 -15 84  16 f 19.791  8.0547  145.358    271.225  7.8212     400.936  261.404    368.282  20.574  9.1056  23.578  9.4603  -3.003347      13.13044  
1 1 1 -15 85  1  o 45.197  4.3535  1143.55    210.478  1017.21    367.868  1205.03    256.635  40.775  8.6003  46.081  5.2348  -5.306301      10.06821  
1 1 1 -15 85  2  o 47.996  3.6449  1276.30    188.063  1175.18    267.847  1374.61    264.116  45.369  5.5677  49.342  5.0116  -3.973534      7.490982  
1 1 1 -15 85  3  o 41.519  4.3069  965.830    190.861  1146.99    263.778  766.758    276.508  44.820  5.5526  35.809  7.3749  9.011021       9.231453  
1 1 1 -15 85  4  o 32.914  5.3183  622.334    183.128  685.448    252.870  552.727    265.561  33.904  7.1130  30.140  8.0013  3.764603       10.70585  
1 1 1 -15 85  5  o 34.157  5.0775  666.398    182.132  480.383    238.932  924.397    281.391  28.197  7.6355  39.637  6.7994  -11.43950      10.22411  
1 1 1 -15 85  6  o 17.020  6.6463  112.407    177.238  -40.4225   233.817  318.836    271.743  15.814  6.9783  23.987  8.4347  -8.173593      10.94718  
1 1 1 -15 85  7  o 16.701  6.8545  72.014     198.499  383.270    276.050  -261.2354  285.636  25.577  8.5143  14.778  6.9524  10.79840       10.99223  
1 1 1 -15 85  8  o 32.239  6.7696  619.390    228.856  628.616    369.090  613.628    291.701  31.588  9.7824  31.509  8.3958  0.7856941E-01  12.89123  
1 1 1 -15 85  9  f 26.169  7.6678  414.030    231.337  539.758    373.399  335.708    294.712  29.567  9.9034  24.533  8.7671  5.034595       13.22645  
1 1 1 -15 85  10 o 60.714  5.1472  2091.93    335.293  2264.81    477.263  1923.44    471.148  61.848  7.2628  56.505  7.9156  5.343132       10.74268  
1 1 1 -15 85  11 o 23.455  8.4160  306.011    271.843  131.463    382.739  483.705    386.172  22.141  9.3353  28.259  10.042  -6.118658      13.71124  
1 1 1 -15 85  12 o 67.055  4.7948  2543.14    345.938  2857.40    512.148  2279.44    469.138  69.583  6.8859  61.915  7.1257  7.667694       9.909151  
1 1 1 -15 85  13 o 46.311  6.6045  1271.77    321.893  1488.26    446.564  1037.64    464.412  48.644  8.7999  39.155  10.663  9.488407       13.82517  
1 1 1 -15 85  14 o 16.542  7.4476  -76.9762   280.571  -268.4315  381.175  149.409    414.491  17.276  8.0964  22.714  9.6529  -5.438168      12.59877  
1 1 1 -15 85  15 o 50.454  5.9911  1490.25    320.996  1464.43    471.247  1512.60    438.439  47.503  9.4912  49.041  8.5661  -1.537663      12.78523  
1 1 1 -15 86  1  o 85.146  6.9722  4206.81    637.359  0.0000     0.0000   4206.81    637.359  ?       ?       85.146  6.9722  0.000000       6.972245  
1 1 1 -15 86  2  o 92.224  6.9429  4928.53    688.428  0.0000     0.0000   4928.53    688.428  ?       ?       92.224  6.9429  0.000000       6.942899  
1 1 1 -15 86  3  o 74.314  3.5404  3041.75    284.965  2500.98    464.502  3368.11    360.850  65.758  6.6114  77.780  4.3001  -12.02219      7.886763  
1 1 1 -15 86  4  o 15.300  6.4521  30.361     182.880  147.129    279.754  -56.7779   241.669  20.425  8.2276  15.826  7.0336  4.598911       10.82429  
1 1 1 -15 86  5  o 18.730  6.9165  169.382    185.442  82.488     290.735  228.982    240.780  19.515  8.1774  21.353  7.8820  -1.837687      11.35769  
1 1 1 -15 86  6  o 18.206  6.9602  144.751    191.386  -162.5588  294.982  368.151    251.507  16.154  7.4130  25.007  8.1176  -8.853125      10.99309  
1 1 1 -15 86  7  o 29.356  7.1147  519.439    223.849  376.656    371.747  600.661    280.380  26.287  9.7758  31.228  8.1887  -4.941633      12.75229  
1 1 1 -15 86  8  o 24.255  8.1067  342.243    250.197  -96.7931   363.576  737.178    344.832  18.847  8.4823  34.184  9.1377  -15.33785      12.46788  
1 1 1 -15 86  9  o 13.192  6.2431  -243.6743  236.628  -58.8094   337.162  -423.1142  332.178  18.570  8.2767  14.751  7.0932  3.819013       10.90039  
1 1 1 -15 86  10 o 31.799  8.1687  628.791    282.833  630.540    408.149  627.175    392.296  31.338  10.349  31.270  10.137  0.6793404E-01  14.48677  
1 1 1 -15 86  11 o 24.966  8.1308  374.566    252.252  153.334    393.976  528.271    328.390  22.621  9.5010  28.977  9.2624  -6.356878      13.26876  
1 1 1 -15 86  12 o 26.876  8.6943  446.596    288.687  418.162    403.430  476.436    413.280  26.969  10.153  28.109  10.334  -1.139580      14.48759  
1 1 1 -15 86  13 o 29.881  8.7091  569.548    299.142  642.973    414.254  489.537    432.431  31.205  10.431  28.326  10.542  2.878458       14.83031  
1 1 1 -15 86  14 o 20.223  7.8157  191.770    243.133  -5.6674    332.976  417.261    355.846  18.925  8.3408  26.425  9.6085  -7.499786      12.72366  
1 1 1 -15 86  15 o 47.013  6.9168  1326.72    341.674  1485.96    468.637  1146.03    499.211  47.985  9.3530  40.650  11.049  7.335167       14.47612  
1 1 1 -15 87  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 87  3  o 19.535  8.9333  -179.1933  423.284  0.0000     0.0000   -179.1933  423.284  ?       ?       19.535  8.9333  0.000000       8.933250  
1 1 1 -15 87  4  o 17.621  7.4530  46.886     245.199  0.0000     0.0000   46.886     245.199  ?       ?       17.621  7.4530  0.000000       7.453038  
1 1 1 -15 87  5  o 14.516  6.6583  -137.9279  237.612  -137.9279  237.612  0.0000     0.0000   14.516  6.6583  ?       ?       0.000000       6.658291  
1 1 1 -15 87  6  o 43.852  6.1222  1116.10    282.852  1366.47    400.704  867.463    399.326  47.522  8.0739  36.804  9.8312  10.71775       12.72167  
1 1 1 -15 87  7  o 50.589  5.7039  1469.53    307.078  1663.51    428.937  1265.59    439.815  52.675  7.7500  44.851  9.3564  7.823570       12.14924  
1 1 1 -15 87  8  o 22.367  8.0944  268.552    252.102  131.236    372.167  384.987    342.703  22.001  9.2371  26.023  9.4344  -4.022516      13.20351  
1 1 1 -15 87  9  o 33.995  7.6726  707.901    275.802  763.637    396.449  655.628    383.938  34.258  10.038  31.918  9.9924  2.339027       14.16360  
1 1 1 -15 87  10 o 76.881  4.5402  3322.41    376.389  3658.61    563.402  3051.41    505.829  79.092  6.6382  72.278  6.5320  6.813492       9.313043  
1 1 1 -15 87  11 o 37.756  7.6124  872.995    300.555  751.199    427.087  992.493    423.039  33.607  10.542  38.837  9.9977  -5.230011      14.52879  
1 1 1 -15 87  12 o 50.043  5.7508  1453.53    306.035  1666.25    463.472  1289.08    407.506  51.660  8.5844  45.295  8.6214  6.365810       12.16643  
1 1 1 -15 87  13 o 26.738  8.4112  444.787    271.674  580.981    414.681  342.375    359.592  29.993  10.427  25.047  9.5488  4.945518       14.13837  
1 1 1 -15 87  14 o 36.828  8.2363  853.510    320.299  726.746    444.031  991.023    462.475  32.786  10.793  38.043  10.749  -5.257610      15.23231  
1 1 1 -15 88  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 88  7  o 34.554  9.3884  762.444    360.515  0.0000     0.0000   762.444    360.515  ?       ?       34.554  9.3884  0.000000       9.388385  
1 1 1 -15 88  8  o 30.199  8.0742  565.354    269.198  907.483    400.934  284.505    363.256  37.434  9.7807  24.290  9.5067  13.14395       13.63965  
1 1 1 -15 88  9  o 33.642  7.7849  697.574    278.043  798.553    399.056  602.302    387.617  34.926  10.024  30.676  10.083  4.249699       14.21833  
1 1 1 -15 88  10 o 52.815  5.7736  1613.12    324.892  1640.62    467.801  1587.50    451.564  51.307  8.7309  50.589  8.5456  0.7173233      12.21702  
1 1 1 -15 88  11 o 72.360  4.7465  2962.06    369.935  3303.53    504.608  2565.29    543.936  75.288  6.2445  64.947  7.8948  10.34065       10.06584  
1 1 1 -15 88  12 o 43.202  6.5124  1106.81    295.268  1272.03    389.870  884.570    452.166  45.259  8.2576  36.086  10.758  9.172157       13.56198  
1 1 1 -15 88  13 o 24.315  8.8121  338.406    298.950  649.466    418.248  13.493     427.461  31.357  10.481  21.311  9.4182  10.04564       14.09124  
1 1 1 -15 89  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 89  9  o 43.044  9.1807  1179.04    414.956  0.0000     0.0000   1179.04    414.956  ?       ?       43.044  9.1807  0.000000       9.180670  
1 1 1 -15 89  10 o 21.138  9.0760  82.700     373.315  0.0000     0.0000   82.700     373.315  ?       ?       21.138  9.0760  0.000000       9.076028  
1 1 1 -15 89  11 o 28.900  8.7124  527.230    295.328  763.198    425.143  307.179    410.553  33.798  10.504  25.136  10.022  8.662092       14.51811  
1 1 1 -15 89  12 o 19.817  8.2169  118.730    289.167  197.265    410.617  41.463     407.291  23.420  9.7580  21.268  9.3027  2.152704       13.48176  
1 1 1 -15 90  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 90  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 91  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 92  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 93  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 94  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 94  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 94  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -15 94  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 0   1  o 44.771  3.9521  1110.97    188.211  1110.97    188.211  1110.97    188.211  44.771  3.9521  44.771  3.9521  0.000000       0.000000  
1 1 1 -14 0   2  o 122.491 4.1450  8155.68    548.487  8155.68    548.487  8155.68    548.487  122.491 4.1450  122.491 4.1450  -0.000000      0.000000  
1 1 1 -14 0   3  f 193.150 5.3185  20259.24   1110.74  20259.24   1110.74  20259.24   1110.74  193.150 5.3185  193.150 5.3185  -0.000000      0.000000  
1 1 1 -14 0   4  o 22.040  6.5959  324.972    137.148  324.972    137.148  324.972    137.148  22.040  6.5959  22.040  6.5959  0.000000       0.000000  
1 1 1 -14 0   5  o 655.534 15.323  234113.59  10866.02 234113.59  10866.02 234113.59  10866.02 655.534 15.323  655.534 15.323  0.000000       0.000000  
1 1 1 -14 0   6  o 273.716 9.8642  40809.58   2915.76  40809.58   2915.76  40809.58   2915.76  273.716 9.8642  273.716 9.8642  -0.000000      0.000000  
1 1 1 -14 0   7  o 290.092 10.359  45852.94   3245.25  45852.94   3245.25  45852.94   3245.25  290.092 10.359  290.092 10.359  0.000000       0.000000  
1 1 1 -14 0   8  o 332.686 8.2307  60145.27   2961.71  60145.27   2961.71  60145.27   2961.71  332.686 8.2307  332.686 8.2307  0.000000       0.000000  
1 1 1 -14 0   9  o 205.274 5.6328  22889.86   1250.21  22889.86   1250.21  22889.86   1250.21  205.274 5.6328  205.274 5.6328  0.000000       0.000000  
1 1 1 -14 0   10 o 338.564 8.3514  62310.47   3058.26  62310.47   3058.26  62310.47   3058.26  338.564 8.3514  338.564 8.3514  -0.000000      0.000000  
1 1 1 -14 0   11 o 429.978 10.324  100620.20  4801.85  100620.20  4801.85  100620.20  4801.85  429.978 10.324  429.978 10.324  -0.000000      0.000000  
1 1 1 -14 0   12 o 182.409 5.1751  18078.79   1020.58  18078.79   1020.58  18078.79   1020.58  182.409 5.1751  182.409 5.1751  0.000000       0.000000  
1 1 1 -14 0   13 o 128.207 4.3367  8938.08    600.639  8938.08    600.639  8938.08    600.639  128.207 4.3367  128.207 4.3367  0.000000       0.000000  
1 1 1 -14 0   14 o 48.907  5.4160  1343.75    277.904  1343.75    277.904  1343.75    277.904  48.907  5.4160  48.907  5.4160  0.000000       0.000000  
1 1 1 -14 0   15 o 518.800 12.322  146952.80  6914.82  146952.80  6914.82  146952.80  6914.82  518.800 12.322  518.800 12.322  -0.000000      0.000000  
1 1 1 -14 0   16 o 321.459 8.0028  56232.18   2782.48  56232.18   2782.48  56232.18   2782.48  321.459 8.0028  321.459 8.0028  0.000000       0.000000  
1 1 1 -14 0   17 o 257.192 6.6727  35978.37   1855.95  35978.37   1855.95  35978.37   1855.95  257.192 6.6727  257.192 6.6727  0.000000       0.000000  
1 1 1 -14 0   18 o 103.171 4.3874  5802.19    488.254  5802.19    488.254  5802.19    488.254  103.171 4.3874  103.171 4.3874  0.000000       0.000000  
1 1 1 -14 0   19 o 32.019  9.2871  680.946    279.513  680.946    279.513  680.946    279.513  32.019  9.2871  32.019  9.2871  -0.000000      0.000000  
1 1 1 -14 0   20 o 108.266 4.4243  6390.70    516.845  6390.70    516.845  6390.70    516.845  108.266 4.4243  108.266 4.4243  0.000000       0.000000  
1 1 1 -14 0   21 o 51.888  6.0356  1522.25    327.228  1522.25    327.228  1522.25    327.228  51.888  6.0356  51.888  6.0356  0.000000       0.000000  
1 1 1 -14 0   22 o 119.632 4.4770  7807.60    578.266  7807.60    578.266  7807.60    578.266  119.632 4.4770  119.632 4.4770  -0.000000      0.000000  
1 1 1 -14 0   23 o 15.643  9.0306  169.068    247.168  169.068    247.168  169.068    247.168  15.643  9.0306  15.643  9.0306  -0.000000      0.000000  
1 1 1 -14 0   24 o 59.490  6.0022  1991.55    377.720  1991.55    377.720  1991.55    377.720  59.490  6.0022  59.490  6.0022  0.000000       0.000000  
1 1 1 -14 0   25 o 76.444  4.9713  3228.53    407.615  3228.53    407.615  3228.53    407.615  76.444  4.9713  76.444  4.9713  0.000000       0.000000  
1 1 1 -14 0   26 o 96.510  4.7118  5121.60    489.848  5121.60    489.848  5121.60    489.848  96.510  4.7118  96.510  4.7118  -0.000000      0.000000  
1 1 1 -14 0   27 o 67.637  5.9552  2573.26    428.489  2573.26    428.489  2573.26    428.489  67.637  5.9552  67.637  5.9552  0.000000       0.000000  
1 1 1 -14 0   28 o 82.589  5.1930  3791.75    460.319  3791.75    460.319  3791.75    460.319  82.589  5.1930  82.589  5.1930  0.000000       0.000000  
1 1 1 -14 0   29 o 18.814  10.655  284.307    334.778  284.307    334.778  284.307    334.778  18.814  10.655  18.814  10.655  0.000000       0.000000  
1 1 1 -14 0   30 o 47.722  8.0290  1387.32    379.714  1387.32    379.714  1387.32    379.714  47.722  8.0290  47.722  8.0290  0.000000       0.000000  
1 1 1 -14 0   31 o 14.397  9.4353  12.060     366.917  12.060     366.917  12.060     366.917  14.397  9.4353  14.397  9.4353  0.000000       0.000000  
1 1 1 -14 0   32 o 27.584  15.611  886.682    718.074  886.682    718.074  886.682    718.074  27.584  15.611  27.584  15.611  0.000000       0.000000  
1 1 1 -14 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 1   1  o 121.221 2.9189  7960.07    383.240  7754.12    542.264  8165.60    541.703  119.624 4.1853  122.759 4.0742  -3.134834      5.840813  
1 1 1 -14 1   2  o 132.329 2.9944  9485.90    429.173  9579.38    606.028  9391.85    607.862  132.960 4.2083  131.651 4.2630  1.308929       5.990184  
1 1 1 -14 1   3  o 369.961 6.2687  74222.55   2511.91  75475.18   3552.47  72970.07   3552.27  372.828 8.7973  366.572 8.9470  6.256042       12.54758  
1 1 1 -14 1   4  o 169.284 3.4121  15525.75   625.611  16277.27   886.340  14779.59   883.164  173.300 4.7220  165.129 4.9380  8.171127       6.832360  
1 1 1 -14 1   5  o 251.469 5.2418  34280.97   1427.68  33630.98   2469.42  34607.31   1749.75  248.812 9.1633  252.600 6.3955  -3.787827      11.17447  
1 1 1 -14 1   6  o 137.809 4.4330  10292.89   661.679  10583.89   929.274  9993.62    942.373  139.693 6.1418  135.733 6.4101  3.960388       8.877609  
1 1 1 -14 1   7  f 75.954  5.6491  3145.74    461.399  3145.74    461.399  0.0000     0.0000   75.954  5.6491  ?       ?       0.000000       5.649065  
1 1 1 -14 1   8  o 331.260 6.6523  59551.18   2386.79  59348.52   4135.26  59652.42   2922.77  329.995 11.570  331.368 8.1436  -1.372803      14.14841  
1 1 1 -14 1   9  o 209.806 4.0265  23858.51   914.998  23594.71   1292.03  24123.94   1295.98  208.553 5.7199  210.882 5.6740  -2.328827      8.056738  
1 1 1 -14 1   10 o 104.276 2.8547  5891.25    322.415  6029.59    455.750  5752.65    456.177  105.470 3.9896  103.017 4.0884  2.452850       5.712429  
1 1 1 -14 1   11 o 295.437 5.2179  47346.87   1669.66  49004.79   1928.43  42382.82   3336.88  300.493 5.9252  278.716 11.054  21.77686       12.54160  
1 1 1 -14 1   12 o 61.704  3.0154  2063.15    201.527  2043.13    291.369  2081.52    279.034  61.223  4.4238  61.818  4.1922  -0.5952187     6.094627  
1 1 1 -14 1   13 o 178.783 3.6083  17326.31   698.714  17700.65   989.528  16954.07   986.741  180.621 5.0581  176.764 5.1539  3.856476       7.221333  
1 1 1 -14 1   14 o 207.347 3.9840  23312.19   894.729  23218.82   1265.50  23405.51   1265.18  206.800 5.6499  207.632 5.6258  -0.8319244     7.973157  
1 1 1 -14 1   15 o 431.055 7.3006  101084.60  3408.50  101267.60  4821.17  100901.80  4819.51  430.461 10.341  429.677 10.356  0.7839355      14.63472  
1 1 1 -14 1   16 o 144.843 3.2939  11372.91   516.749  10865.46   725.673  11894.94   736.023  141.498 4.7350  148.059 4.5897  -6.560989      6.594369  
1 1 1 -14 1   17 o 133.857 3.1902  9713.78    462.513  9521.69    654.190  9905.76    653.996  132.453 4.5601  135.104 4.4693  -2.650787      6.385041  
1 1 1 -14 1   18 o 131.290 3.1925  9346.10    453.974  9487.99    633.405  9196.23    650.989  132.209 4.4233  130.147 4.6182  2.062256       6.394792  
1 1 1 -14 1   19 o 193.829 3.8285  20388.73   803.742  20181.28   1132.73  20599.08   1140.63  192.635 5.4290  194.622 5.4111  -1.986526      7.665125  
1 1 1 -14 1   20 o 99.701  3.1589  5392.83    341.121  4812.82    490.986  5934.04    474.283  93.950  4.8415  104.513 4.1898  -10.56305      6.402742  
1 1 1 -14 1   21 o 114.098 3.1363  7066.70    387.579  7194.26    548.834  6939.81    547.409  114.992 4.4066  112.932 4.4753  2.060020       6.280658  
1 1 1 -14 1   22 o 36.883  4.9776  755.591    193.766  417.177    274.801  1090.22    273.259  27.420  8.4325  44.259  5.8433  -16.83827      10.25918  
1 1 1 -14 1   23 o 142.236 3.3068  11006.26   509.429  11366.04   720.778  10647.14   720.106  144.231 4.6139  139.555 4.7641  4.676544       6.632139  
1 1 1 -14 1   24 o 36.394  6.2016  750.730    235.695  978.031    334.861  527.559    331.806  41.233  7.7833  30.390  9.2512  10.84293       12.08988  
1 1 1 -14 1   25 o 30.050  6.8101  522.129    216.530  677.340    308.606  371.629    303.887  33.976  8.4271  26.310  8.9336  7.665833       12.28108  
1 1 1 -14 1   26 o 43.429  2.4050  1028.93    112.686  988.602    119.615  1347.02    335.957  42.539  2.6088  48.709  6.5326  -6.170727      7.034216  
1 1 1 -14 1   27 o 27.747  7.7764  453.182    243.085  239.734    332.780  697.367    355.935  23.687  9.1466  33.975  9.3692  -10.28862      13.09363  
1 1 1 -14 1   28 o 111.989 3.3988  6878.83    412.262  6569.80    583.863  7186.09    582.193  108.671 4.9605  113.795 4.7236  -5.123726      6.849754  
1 1 1 -14 1   29 o 15.395  6.8477  -58.6979   229.518  109.126    327.333  -221.0077  321.911  20.903  8.7110  16.392  7.6010  4.510828       11.56096  
1 1 1 -14 1   30 o 36.607  6.8749  801.282    262.579  1046.73    360.615  524.284    383.087  41.120  8.3813  29.108  10.027  12.01145       13.06856  
1 1 1 -14 1   31 o 44.390  5.9124  1166.95    277.193  1263.07    380.740  1058.56    404.343  44.579  8.1872  39.664  9.5307  4.915333       12.56442  
1 1 1 -14 1   32 f 26.075  11.276  377.412    584.331  377.412    584.331  0.0000     0.0000   26.075  11.276  ?       ?       0.000000       11.27609  
1 1 1 -14 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 2   1  o 375.552 6.3970  76484.87   2602.04  74543.11   3679.78  78426.74   3679.90  370.486 9.1702  380.041 8.9400  -9.555023      12.80687  
1 1 1 -14 2   2  o 78.889  2.5962  3371.14    221.835  3373.91    311.716  3368.30    315.768  78.913  3.6470  78.847  3.6975  0.6610870E-01  5.193514  
1 1 1 -14 2   3  o 278.314 4.8877  41982.23   1473.37  42741.57   2084.44  41224.01   2082.89  280.709 6.8559  275.672 6.9759  5.036224       9.780938  
1 1 1 -14 2   4  o 227.790 4.8884  28124.00   1206.08  28446.18   1477.57  27480.76   2087.78  229.044 5.9560  224.973 8.5681  4.071243       10.43489  
1 1 1 -14 2   5  o 455.174 8.8262  112527.30  4351.32  111384.50  7535.42  113098.90  5329.71  451.518 15.409  456.002 10.791  -4.484192      18.81150  
1 1 1 -14 2   6  o 215.993 8.1660  25332.58   1910.38  25332.58   1910.38  0.0000     0.0000   215.993 8.1660  ?       ?       0.000000       8.165991  
1 1 1 -14 2   7  o 204.257 7.8673  22654.88   1740.49  22654.88   1740.49  0.0000     0.0000   204.257 7.8673  ?       ?       0.000000       7.867254  
1 1 1 -14 2   8  o 244.656 5.1489  32456.34   1364.38  34014.49   2370.27  31684.23   1668.53  250.162 8.7479  241.647 6.3750  8.515121       10.82441  
1 1 1 -14 2   9  o 472.248 7.9551  121174.80  4068.97  123275.00  5753.89  119073.90  5754.88  475.563 11.171  467.336 11.369  8.227936       15.93892  
1 1 1 -14 2   10 o 150.965 3.3246  12349.93   543.610  12601.42   769.346  12099.17   768.216  152.449 4.6594  149.376 4.7482  3.072495       6.652475  
1 1 1 -14 2   11 o 287.507 5.1257  44836.82   1596.15  45572.30   1843.92  42638.46   3187.91  289.783 5.8749  279.651 10.525  10.13220       12.05357  
1 1 1 -14 2   12 o 499.597 8.3883  135814.91  4539.02  133483.30  6419.26  138146.30  6419.04  494.065 11.996  502.704 11.789  -8.638580      16.81926  
1 1 1 -14 2   13 o 231.893 4.3230  29161.61   1085.79  28295.53   1534.73  30029.51   1536.35  228.258 6.2078  235.166 6.0318  -6.908508      8.655556  
1 1 1 -14 2   14 o 582.403 9.7338  185072.09  6140.09  181780.30  8683.34  188364.00  8683.44  574.947 13.944  585.424 13.695  -10.47687      19.54432  
1 1 1 -14 2   15 o 316.766 5.5592  54483.56   1907.30  52165.88   2696.85  56802.88   2697.81  309.508 8.0448  323.043 7.7105  -13.53574      11.14316  
1 1 1 -14 2   16 o 247.962 4.5083  33360.64   1210.79  34754.21   1715.11  31976.15   1709.52  252.866 6.2623  242.514 6.5083  10.35222       9.031833  
1 1 1 -14 2   17 o 52.476  3.9193  1501.98    221.152  1885.77    313.927  1123.86    311.600  58.723  4.9827  44.982  6.5912  13.74114       8.262634  
1 1 1 -14 2   18 o 249.373 4.5817  33761.80   1237.49  35689.93   1751.24  31838.77   1748.92  256.108 6.3132  241.828 6.6772  14.27998       9.189215  
1 1 1 -14 2   19 f 256.226 4.6762  35665.85   1297.72  35952.75   1833.17  35377.65   1837.36  256.858 6.5893  254.778 6.6583  2.079285       9.367568  
1 1 1 -14 2   20 o 142.027 3.3205  10945.68   510.784  10926.23   729.941  10964.35   715.007  141.752 4.7543  142.012 4.6485  -0.2597961     6.649221  
1 1 1 -14 2   21 o 196.759 3.8980  21042.02   830.714  20352.81   1174.88  21731.07   1174.74  193.133 5.6165  199.613 5.4335  -6.480225      7.814608  
1 1 1 -14 2   22 o 108.963 3.1264  6449.72    368.973  6312.31    515.062  6594.58    528.822  107.630 4.4183  110.007 4.4383  -2.377052      6.262628  
1 1 1 -14 2   23 o 107.335 3.1174  6264.52    362.416  6463.08    490.393  6025.58    537.973  108.850 4.1595  104.991 4.7308  3.859627       6.299409  
1 1 1 -14 2   24 o 132.040 3.3946  9498.07    485.469  9810.59    687.927  9188.04    685.195  133.816 4.7464  129.456 4.8868  4.360168       6.812411  
1 1 1 -14 2   25 o 44.988  4.8290  1124.14    231.620  1554.52    329.535  703.929    325.621  52.709  5.8721  34.592  8.6995  18.11718       10.49583  
1 1 1 -14 2   26 o 150.691 3.4848  12409.50   568.773  12832.15   808.043  11994.46   800.739  152.569 4.8899  147.438 5.0143  5.130951       7.003870  
1 1 1 -14 2   27 o 91.792  3.5029  4614.17    348.258  4817.92    486.063  4399.23    499.223  93.216  4.8309  88.895  5.2077  4.321526       7.103355  
1 1 1 -14 2   28 o 128.204 3.4792  9020.63    483.118  9218.82    696.406  8836.76    670.777  128.703 4.9958  126.064 4.9127  2.639130       7.006578  
1 1 1 -14 2   29 o 28.121  7.6622  477.162    239.732  429.049    341.930  523.679    336.209  27.235  9.4679  29.333  9.3715  -2.098463      13.32165  
1 1 1 -14 2   30 o 17.964  7.5247  69.826     246.028  99.830     338.830  36.364     357.818  20.775  8.7728  20.290  8.7992  0.4847507      12.42530  
1 1 1 -14 2   31 o 40.813  1.7591  908.450    77.760   710.180    365.953  917.825    79.577   32.284  9.6906  41.018  1.7912  -8.733597      9.854770  
1 1 1 -14 2   32 o 26.881  11.461  448.959    587.680  448.959    587.680  0.0000     0.0000   26.881  11.461  ?       ?       0.000000       11.46056  
1 1 1 -14 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 3   1  o 267.394 4.7889  38750.54   1386.93  37996.65   1961.14  39504.86   1961.70  264.673 6.8411  269.883 6.7110  -5.209778      9.583240  
1 1 1 -14 3   2  o 124.397 2.9309  8382.81    394.896  8144.85    560.104  8618.00    556.846  122.600 4.2180  126.113 4.0766  -3.513275      5.866056  
1 1 1 -14 3   3  o 376.298 6.3817  76791.55   2600.99  79534.30   3679.34  74051.69   3677.38  382.710 8.8763  369.247 9.1950  13.46286       12.78030  
1 1 1 -14 3   4  o 420.880 8.2287  96161.97   3751.09  100251.10  6496.70  94117.03   4594.27  428.763 13.990  416.114 10.194  12.64859       17.30959  
1 1 1 -14 3   5  o 131.294 3.3590  9339.27    477.666  8845.72    819.243  9593.47    587.946  127.721 5.9222  133.055 4.0798  -5.334732      7.191434  
1 1 1 -14 3   6  o 261.928 5.4457  37198.29   1544.93  36531.67   1891.26  38535.30   2678.43  259.489 6.7292  266.291 9.2865  -6.802063      11.46826  
1 1 1 -14 3   7  o 297.065 6.0187  47866.14   1936.53  46066.15   2371.16  51471.58   3355.87  291.297 7.5154  307.613 10.072  -16.31552      12.56717  
1 1 1 -14 3   8  f 161.682 3.9304  14167.24   688.288  13954.61   1204.58  14270.31   838.685  160.339 6.9362  162.241 4.7727  -1.901733      8.419657  
1 1 1 -14 3   9  o 82.845  2.8326  3718.42    254.169  3790.64    367.571  3652.24    351.844  83.628  4.0581  82.088  3.9573  1.539116       5.668175  
1 1 1 -14 3   10 o 112.757 2.9315  6888.69    358.020  7221.90    414.998  5919.03    707.950  115.444 3.3190  104.239 6.3001  11.20449       7.120872  
1 1 1 -14 3   11 o 156.891 3.3513  13339.38   569.481  12843.83   656.047  14854.26   1147.04  153.929 3.9350  165.410 6.4025  -11.48036      7.515041  
1 1 1 -14 3   12 o 76.077  2.6058  3135.78    214.718  2689.20    275.375  3828.38    342.937  70.343  3.6267  84.038  3.7676  -13.69530      5.229530  
1 1 1 -14 3   13 o 322.218 5.6273  56357.18   1963.91  57268.21   2778.99  55448.25   2775.78  324.444 7.9082  319.225 8.0282  5.219330       11.26904  
1 1 1 -14 3   14 o 181.392 3.7296  17838.43   732.734  17707.22   1038.19  17968.66   1034.31  180.622 5.3069  181.954 5.2483  -1.332947      7.463717  
1 1 1 -14 3   15 o 235.130 4.3873  29989.85   1117.32  29415.15   1580.01  30564.72   1580.24  232.667 6.2698  237.184 6.1513  -4.517761      8.783466  
1 1 1 -14 3   16 o 130.535 3.1636  9236.32    447.273  9424.44    632.808  9048.51    632.270  131.798 4.4329  129.138 4.5204  2.660095       6.331286  
1 1 1 -14 3   17 o 108.743 3.0674  6410.21    361.282  6096.79    511.741  6721.66    510.123  105.992 4.4576  111.303 4.2315  -5.310745      6.146256  
1 1 1 -14 3   18 o 141.691 3.3245  10886.82   510.201  11785.23   717.531  9968.09    725.601  147.341 4.4962  135.473 4.9451  11.86862       6.683557  
1 1 1 -14 3   19 o 45.283  4.2962  1123.38    208.190  1354.78    297.189  900.385    291.738  49.588  5.6333  40.067  6.9761  9.521687       8.966599  
1 1 1 -14 3   20 o 244.584 4.5030  32515.49   1192.90  32787.89   1687.90  32243.67   1686.13  245.161 6.3566  243.105 6.4036  2.056290       9.022913  
1 1 1 -14 3   21 o 178.605 3.6968  17332.21   715.141  17175.95   1011.97  17488.08   1010.75  177.500 5.2638  179.117 5.2100  -1.617615      7.406203  
1 1 1 -14 3   22 o 136.189 3.2983  10079.26   486.525  9372.96    682.180  10810.42   694.076  131.077 4.8051  140.822 4.5506  -9.745804      6.617905  
1 1 1 -14 3   23 o 160.163 3.6933  13971.73   640.684  13795.76   864.230  14186.44   954.629  158.766 5.0257  160.839 5.4799  -2.072739      7.435556  
1 1 1 -14 3   24 o 52.880  4.4030  1539.83    249.888  1206.41    344.376  1910.61    363.162  46.099  7.1271  58.618  5.7960  -12.51884      9.186387  
1 1 1 -14 3   25 o 74.744  2.8597  3040.97    231.513  2872.05    283.225  3381.10    401.903  72.530  3.6053  78.324  4.7601  -5.793610      5.971363  
1 1 1 -14 3   26 o 82.486  3.4882  3718.41    311.641  3920.78    448.085  3528.80    433.720  84.183  4.9359  79.812  5.0432  4.370598       7.056733  
1 1 1 -14 3   27 o 39.115  2.1216  834.383    89.548   1158.70    347.247  811.279    92.682   44.628  7.4463  38.554  2.2290  6.074112       7.772792  
1 1 1 -14 3   28 o 86.744  3.6403  4134.91    342.016  3843.00    498.956  4393.63    469.734  82.638  5.6078  88.770  4.9046  -6.131668      7.449989  
1 1 1 -14 3   29 o 46.132  5.2546  1208.21    257.866  1580.97    368.156  849.217    361.295  52.168  6.6682  36.958  9.0890  15.21064       11.27272  
1 1 1 -14 3   30 o 31.990  7.5719  626.837    258.280  508.330    356.536  757.700    374.663  28.667  9.6768  34.261  9.6728  -5.593273      13.68222  
1 1 1 -14 3   31 o 42.854  2.1314  1004.91    98.928   642.315    374.776  1032.07    102.566  30.683  9.9041  43.363  2.1909  -12.68012      10.14357  
1 1 1 -14 3   32 o 33.189  12.471  934.702    608.110  934.702    608.110  0.0000     0.0000   33.189  12.471  ?       ?       0.000000       12.47141  
1 1 1 -14 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 4   1  o 112.044 2.8388  6800.43    344.500  6836.83    489.901  6764.81    484.535  112.328 4.0267  111.735 4.0037  0.5928574      5.678403  
1 1 1 -14 4   2  o 134.907 3.0494  9859.37    445.573  10272.82   630.518  9446.92    629.755  137.687 4.2280  132.033 4.4037  5.654175       6.104806  
1 1 1 -14 4   3  o 200.934 3.8229  21876.01   831.987  22767.36   1178.02  20988.92   1175.20  204.939 5.3071  196.764 5.5144  8.174622       7.653336  
1 1 1 -14 4   4  o 356.378 6.9223  68898.23   2671.96  63580.37   4624.52  71563.13   3273.70  341.688 12.496  363.066 8.3250  -21.37820      15.01505  
1 1 1 -14 4   5  o 283.802 7.1150  43702.14   2187.06  47957.71   3093.52  39449.59   3092.42  297.065 9.6146  269.328 10.601  27.73761       14.31161  
1 1 1 -14 4   6  o 439.749 8.5877  105037.90  4090.26  109044.50  5009.47  97024.16   7084.70  447.760 10.329  421.220 15.529  26.53995       18.65063  
1 1 1 -14 4   7  o 152.616 3.7427  12621.35   618.657  12379.22   759.143  13100.12   1067.49  151.120 4.6380  155.394 6.3425  -4.274170      7.857375  
1 1 1 -14 4   8  o 582.235 11.218  184695.80  7074.38  184043.50  12252.87 185022.00  8664.42  577.659 19.584  581.871 13.748  -4.212036      23.92769  
1 1 1 -14 4   9  o 232.448 4.3602  29290.47   1097.76  29117.74   1554.02  29462.52   1550.93  231.644 6.1939  233.015 6.1452  -1.371063      8.725128  
1 1 1 -14 4   10 f 270.710 4.8533  39740.07   1423.02  38741.26   1643.08  42737.71   2846.48  267.221 5.6770  280.224 9.3785  -13.00308      10.96287  
1 1 1 -14 4   11 o 322.742 5.6372  56519.51   1970.56  55391.01   2275.58  59903.03   3940.27  319.391 6.5781  331.361 10.979  -11.96970      12.79864  
1 1 1 -14 4   12 o 62.409  3.0776  2110.67    208.034  1937.97    244.797  2559.66    394.703  59.670  3.8076  68.474  5.3649  -8.803314      6.578751  
1 1 1 -14 4   13 o 223.966 4.1993  27200.05   1018.66  26912.01   1441.35  27487.49   1439.85  222.629 5.9775  225.003 5.9082  -2.374527      8.404597  
1 1 1 -14 4   14 o 126.687 3.0656  8698.25    420.642  8828.15    597.329  8570.46    592.457  127.583 4.3227  125.706 4.3514  1.877090       6.133546  
1 1 1 -14 4   15 o 134.818 3.1510  9851.55    460.116  10647.63   657.737  9088.65    643.888  140.106 4.3344  129.430 4.5931  10.67538       6.315314  
1 1 1 -14 4   16 o 72.341  3.1233  2836.66    244.724  2512.73    346.498  3159.08    345.687  67.880  4.7427  76.198  4.2049  -8.317436      6.338307  
1 1 1 -14 4   17 o 231.096 4.2940  28978.29   1074.80  29918.83   1520.84  28039.85   1519.16  234.600 5.9853  227.086 6.1765  7.514114       8.600735  
1 1 1 -14 4   18 o 167.295 3.5162  15179.23   637.127  14647.64   902.122  15708.26   899.949  164.208 5.0722  170.068 4.8857  -5.860031      7.042551  
1 1 1 -14 4   19 o 55.010  3.8481  1650.30    227.832  1651.36    335.054  1649.39    310.727  54.796  5.7302  54.824  5.2989  -0.2787781E-01 7.804712  
1 1 1 -14 4   20 o 237.928 4.4141  30765.90   1137.52  30583.32   1609.40  30948.16   1607.99  236.793 6.2752  238.213 6.2323  -1.419769      8.844155  
1 1 1 -14 4   21 o 184.479 3.7694  18493.69   753.153  18242.15   1065.98  18744.41   1064.26  182.895 5.3812  185.415 5.2995  -2.520142      7.552580  
1 1 1 -14 4   22 o 142.316 3.4008  11009.23   524.206  10806.05   763.996  11189.99   720.586  140.692 5.0136  143.251 4.6443  -2.558884      6.834144  
1 1 1 -14 4   23 f 75.540  3.3572  3104.97    274.680  2618.14    371.860  3689.57    407.494  68.990  5.0107  82.048  4.6041  -13.05855      6.804742  
1 1 1 -14 4   24 o 156.140 3.5476  13289.29   599.959  12365.81   842.403  14239.85   854.670  150.064 5.1829  161.154 4.8965  -11.08958      7.130092  
1 1 1 -14 4   25 o 41.534  5.2427  964.482    230.593  786.410    335.830  1123.33    317.183  36.575  8.6188  44.438  6.8069  -7.862766      10.98261  
1 1 1 -14 4   26 o 114.214 3.3191  7123.10    410.584  6976.92    586.671  7263.42    574.818  112.525 4.8136  114.891 4.6193  -2.365250      6.671508  
1 1 1 -14 4   27 o 36.587  1.3663  726.178    54.145   -113.5982  333.267  748.946    54.874   18.193  8.1599  37.157  1.3635  -18.96396      8.273059  
1 1 1 -14 4   28 o 52.092  4.8177  1519.23    268.738  1375.67    401.475  1635.77    361.731  48.223  7.9647  53.438  6.3756  -5.215473      10.20219  
1 1 1 -14 4   29 o 31.405  7.5323  594.931    252.912  695.649    350.217  485.156    365.623  33.384  9.3261  28.601  9.7986  4.783756       13.52739  
1 1 1 -14 4   30 o 67.386  2.9061  2493.06    212.107  3054.12    426.517  2308.72    244.482  73.189  5.4190  64.556  3.5097  8.632698       6.456289  
1 1 1 -14 4   31 o 16.677  7.2459  18.654     243.553  324.528    350.868  -265.7771  338.346  24.138  9.3720  15.945  7.5210  8.192788       12.01661  
1 1 1 -14 4   32 o 24.575  10.965  223.358    593.453  223.358    593.453  0.0000     0.0000   24.575  10.965  ?       ?       0.000000       10.96508  
1 1 1 -14 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 5   1  o 80.840  2.6763  3539.94    234.335  3493.87    327.728  3588.13    335.197  80.302  3.7680  81.378  3.8030  -1.075676      5.353575  
1 1 1 -14 5   2  o 369.424 6.2086  74005.64   2484.21  77717.55   3513.70  70295.86   3512.70  378.349 8.5744  359.783 9.0142  18.56613       12.44091  
1 1 1 -14 5   3  o 390.582 8.5617  82827.51   3621.96  86743.44   5656.95  80106.90   4715.17  399.029 13.089  383.745 11.344  15.28442       17.32109  
1 1 1 -14 5   4  o 321.361 6.2977  56007.71   2192.01  51498.21   3793.02  58268.99   2685.95  307.654 11.383  327.680 7.5679  -20.02640      13.66911  
1 1 1 -14 5   5  o 201.941 4.3972  22100.95   961.771  22610.91   1178.43  21083.65   1664.40  204.223 5.3276  197.083 7.7972  7.139282       9.443471  
1 1 1 -14 5   6  o 187.099 4.2355  18971.41   858.309  19294.89   1048.68  18314.96   1493.87  188.655 5.1322  183.689 7.5086  4.965515       9.094985  
1 1 1 -14 5   7  o 303.507 6.1365  49968.84   2017.24  49882.70   2470.29  50141.24   3494.86  303.118 7.5243  303.525 10.631  -0.4070740     13.02416  
1 1 1 -14 5   8  o 424.609 8.3383  97966.74   3834.76  97574.44   6641.45  98162.95   4696.80  422.322 14.519  424.679 10.211  -2.357117      17.75050  
1 1 1 -14 5   9  o 335.437 5.8112  61043.02   2111.30  61808.23   2438.44  58751.29   4219.89  337.437 6.6719  328.154 11.873  9.283142       13.61901  
1 1 1 -14 5   10 o 218.341 4.1300  25842.38   976.687  25512.69   1128.87  26823.92   1947.77  216.907 4.8051  222.143 8.0953  -5.236206      9.413990  
1 1 1 -14 5   11 o 106.370 2.8903  6130.62    332.996  6316.14    386.572  5597.01    655.617  107.959 3.3060  101.373 5.9978  6.586380       6.848628  
1 1 1 -14 5   12 o 153.105 3.3118  12704.08   549.198  12599.48   636.006  13010.74   1088.97  152.453 3.8517  154.777 6.4959  -2.323746      7.551976  
1 1 1 -14 5   13 o 305.487 5.3600  50646.48   1773.48  52615.67   2508.02  48677.10   2508.15  311.063 7.4441  299.144 7.7411  11.91855       10.73961  
1 1 1 -14 5   14 o 191.504 3.7649  19883.18   780.907  19875.87   1105.72  19890.45   1103.02  191.360 5.3349  191.431 5.3199  -0.7136536E-01 7.534063  
1 1 1 -14 5   15 o 241.422 4.4499  31617.89   1163.57  32483.00   1646.85  30755.53   1644.24  244.504 6.2187  237.893 6.3814  6.611206       8.910325  
1 1 1 -14 5   16 o 77.538  3.1150  3258.88    261.603  3632.83    363.817  2858.55    376.430  81.735  4.1230  72.414  4.8271  9.320938       6.348239  
1 1 1 -14 5   17 o 127.039 3.1520  8749.31    433.709  9191.39    615.196  8312.48    611.535  130.146 4.3643  123.756 4.5623  6.390366       6.313615  
1 1 1 -14 5   18 o 220.830 4.1979  26465.32   1004.05  27121.55   1421.26  25811.50   1418.64  223.324 5.8758  217.843 6.0125  5.481628       8.406877  
1 1 1 -14 5   19 o 145.353 3.3435  11460.24   526.368  11525.79   752.946  11397.57   736.133  145.645 4.7731  144.841 4.6924  0.8043823      6.693329  
1 1 1 -14 5   20 o 77.033  3.2679  3219.93    272.656  2630.90    378.978  3851.95    392.568  69.352  5.0806  84.083  4.3252  -14.73061      6.672347  
1 1 1 -14 5   21 o 91.875  2.9071  4580.68    289.285  3576.32    441.217  5337.99    383.128  80.856  5.0637  99.128  3.5684  -18.27177      6.194709  
1 1 1 -14 5   22 o 112.896 3.0932  6923.67    378.233  7048.23    536.886  6800.92    532.939  113.734 4.3583  111.714 4.4045  2.020416       6.196361  
1 1 1 -14 5   23 o 113.269 3.1753  6977.79    389.553  7159.37    540.349  6781.29    562.119  114.518 4.3564  111.389 4.6592  3.128860       6.378622  
1 1 1 -14 5   24 o 76.462  3.5947  3187.52    297.697  3219.98    417.788  3154.04    424.302  76.436  5.0753  75.609  5.2130  0.8264236      7.275633  
1 1 1 -14 5   25 o 27.268  1.2087  403.051    35.700   45.684     314.699  407.710    35.932   20.089  8.4674  27.426  1.2096  -7.336279      8.553380  
1 1 1 -14 5   26 o 69.738  3.7227  2668.74    280.177  3030.46    406.391  2341.06    386.796  73.914  5.1076  64.772  5.5676  9.142479       7.555543  
1 1 1 -14 5   27 o 5.9579  2.5208  1.0715     28.063   328.361    323.898  -1.4039    28.168   25.314  9.1727  5.8406  2.5001  19.47293       9.507304  
1 1 1 -14 5   28 o 84.840  3.5131  3951.67    322.817  4379.70    467.166  3560.50    446.593  88.633  4.8852  79.736  5.1996  8.896973       7.134539  
1 1 1 -14 5   29 o 69.569  4.1908  2691.29    314.303  2946.94    448.971  2445.60    440.145  71.966  5.8095  65.240  6.3076  6.725983       8.575317  
1 1 1 -14 5   30 o 58.734  2.6910  1890.39    171.186  1860.45    403.823  1896.95    189.010  56.227  6.7668  58.685  2.9835  -2.457760      7.395330  
1 1 1 -14 5   31 o 70.913  4.0561  2835.25    310.244  2872.45    445.569  2800.24    432.236  69.830  5.9479  69.046  5.8344  0.7836761      8.331745  
1 1 1 -14 5   32 f 34.231  13.587  1092.93    751.485  1092.93    751.485  0.0000     0.0000   34.231  13.587  ?       ?       0.000000       13.58680  
1 1 1 -14 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 6   1  o 356.468 6.1190  68903.53   2362.50  70452.88   3341.31  67354.63   3340.83  360.230 8.5638  352.200 8.7578  8.030182       12.24898  
1 1 1 -14 6   2  o 394.076 7.7353  84274.68   3301.63  88985.67   5719.05  81919.74   4043.50  404.168 13.064  388.312 9.6140  15.85562       16.22068  
1 1 1 -14 6   3  o 295.742 6.0016  47425.93   1922.44  49014.16   3327.70  46630.34   2355.23  300.290 10.231  293.153 7.4177  7.137878       12.63734  
1 1 1 -14 6   4  o 217.200 5.7804  25579.30   1359.84  25917.76   1922.76  25240.59   1923.46  218.503 8.1245  215.622 8.2361  2.880554       11.56897  
1 1 1 -14 6   5  o 127.154 3.4115  8759.83    469.831  9494.11    576.846  7312.75    809.790  132.365 4.0236  115.930 6.4751  16.43456       7.623403  
1 1 1 -14 6   6  o 438.050 7.3080  104146.30  3467.29  99799.90   4902.25  108497.00  4904.74  428.299 10.568  446.653 10.139  -18.35391      14.64464  
1 1 1 -14 6   7  o 185.146 4.2092  18578.58   844.091  18619.81   1034.17  18496.31   1460.95  185.315 5.1524  184.589 7.3074  0.7260590      8.941188  
1 1 1 -14 6   8  o 358.083 8.7520  69699.07   3394.38  65691.95   4800.89  73704.48   4799.87  346.907 12.777  367.615 12.055  -20.70743      17.56648  
1 1 1 -14 6   9  o 155.217 3.8749  13057.67   651.428  11845.87   800.644  15431.02   1120.48  147.800 5.0014  168.633 6.1347  -20.83315      7.915072  
1 1 1 -14 6   10 o 171.977 3.4836  16028.06   648.877  16692.16   750.938  14070.91   1289.14  175.486 3.9509  160.939 7.3955  14.54654       8.384683  
1 1 1 -14 6   11 o 145.986 3.2380  11549.08   511.989  11254.11   592.534  12418.21   1017.10  144.092 3.7967  151.248 6.2088  -7.155640      7.277607  
1 1 1 -14 6   12 o 112.222 2.9565  6824.32    359.362  6772.53    413.368  6984.59    727.160  111.785 3.4142  113.274 5.9477  -1.489555      6.857989  
1 1 1 -14 6   13 o 149.661 3.2895  12139.76   533.225  12111.85   617.920  12221.16   1055.23  149.469 3.8169  149.988 6.4957  -0.5191193     7.534085  
1 1 1 -14 6   14 o 124.229 3.0983  8364.07    416.881  8392.59    593.145  8336.23    586.037  124.392 4.4025  123.975 4.3644  0.4167175      6.199165  
1 1 1 -14 6   15 o 194.570 3.8239  20527.63   805.841  21333.87   1139.38  19720.70   1139.88  198.238 5.3066  190.577 5.5223  7.661407       7.658668  
1 1 1 -14 6   16 o 131.730 3.2626  9406.95    465.496  8868.59    653.429  9961.71    663.303  127.835 4.7193  135.497 4.5197  -7.661232      6.534513  
1 1 1 -14 6   17 o 223.828 4.2343  27183.15   1026.52  26721.90   1452.75  27643.08   1450.68  221.700 6.0500  225.504 5.9395  -3.804825      8.478185  
1 1 1 -14 6   18 o 173.044 3.5931  16241.65   673.431  15923.26   953.811  16558.13   950.946  171.199 5.1439  174.591 5.0288  -3.391907      7.193628  
1 1 1 -14 6   19 o 148.600 3.3529  11978.24   539.644  11845.38   764.901  12109.91   761.453  147.648 4.7831  149.296 4.7090  -1.647217      6.712089  
1 1 1 -14 6   20 o 103.583 3.0983  5820.85    347.604  5914.27    494.574  5729.65    488.653  104.318 4.3772  102.676 4.3940  1.642433       6.202219  
1 1 1 -14 6   21 o 61.490  3.4947  2060.36    231.790  1994.83    331.491  2123.04    324.231  60.284  5.1255  62.248  4.8473  -1.963207      7.054587  
1 1 1 -14 6   22 o 176.980 3.6601  17036.38   701.602  17252.38   994.025  16821.94   990.417  177.716 5.1642  175.471 5.2113  2.244812       7.336615  
1 1 1 -14 6   23 o 109.846 3.0698  6560.75    365.226  6285.48    504.697  6863.39    529.187  107.302 4.3426  112.123 4.3576  -4.821274      6.151983  
1 1 1 -14 6   24 o 47.632  4.6419  1253.88    236.433  1430.09    345.904  1099.35    323.911  50.451  6.4800  43.984  7.0365  6.467110       9.565673  
1 1 1 -14 6   25 f 19.014  7.2855  142.930    209.990  183.585    310.992  108.861    284.690  22.408  8.7890  20.340  8.2624  2.067879       12.06293  
1 1 1 -14 6   26 o 66.940  3.8105  2461.11    275.128  2459.44    401.125  2462.59    378.076  66.374  5.6329  66.534  5.2902  -0.1594315     7.727542  
1 1 1 -14 6   27 o 35.875  1.9834  701.636    76.769   716.511    344.049  700.857    78.755   34.456  9.0883  35.849  2.0367  -1.392761      9.313704  
1 1 1 -14 6   28 o 47.210  4.9722  1252.83    250.423  1367.56    367.990  1153.88    341.765  48.416  7.2397  44.344  7.3748  4.072037       10.33445  
1 1 1 -14 6   29 o 33.901  7.3826  689.489    263.398  942.197    382.738  462.118    363.044  38.885  9.2266  28.092  9.7564  10.79294       13.42820  
1 1 1 -14 6   30 o 23.440  1.6266  300.251    41.039   104.404    376.062  302.611    41.286   21.621  9.1915  23.532  1.6299  -1.910986      9.334922  
1 1 1 -14 6   31 o 17.637  7.5167  61.729     252.649  -16.6931   379.502  124.153    338.587  19.541  8.7402  20.566  8.7317  -1.024611      12.35454  
1 1 1 -14 6   32 f 22.705  10.787  -208.8889  719.985  -208.8889  719.985  0.0000     0.0000   22.705  10.787  ?       ?       0.000000       10.78687  
1 1 1 -14 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 7   1  o 318.245 11.145  55086.07   3841.58  0.0000     0.0000   55086.07   3841.58  ?       ?       318.245 11.145  0.000000       11.14493  
1 1 1 -14 7   2  o 570.639 10.824  177067.70  6689.85  179994.80  11586.69 175604.00  8193.52  573.032 18.669  567.679 13.326  5.353516       22.93675  
1 1 1 -14 7   3  f 474.927 9.1387  122513.70  4700.89  118225.50  8140.65  124659.10  5757.93  465.076 16.161  478.729 11.105  -13.65323      19.60838  
1 1 1 -14 7   4  o 206.051 4.4871  23009.70   1001.41  23812.46   1226.61  21405.21   1734.13  209.579 5.4037  198.572 8.0629  11.00673       9.706201  
1 1 1 -14 7   5  o 146.584 3.6845  11642.36   584.964  13007.45   715.582  8892.62    1015.60  154.925 4.2645  127.796 7.3685  27.12883       8.513588  
1 1 1 -14 7   6  o 232.714 4.2664  29350.55   1075.37  30188.38   1518.77  28508.21   1522.85  235.928 5.9435  229.258 6.1329  6.670349       8.540317  
1 1 1 -14 7   7  o 396.970 6.6570  85510.98   2862.22  80624.21   4045.91  90406.87   4049.69  385.028 9.7018  407.811 9.1684  -22.78259      13.34857  
1 1 1 -14 7   8  o 288.207 5.8993  45060.05   1841.51  42858.89   2254.99  49466.93   3190.69  280.940 7.4107  301.522 9.7700  -20.58188      12.26262  
1 1 1 -14 7   9  o 92.572  3.2350  4643.46    324.358  4701.29    400.124  4532.60    553.945  93.133  3.9666  91.235  5.6333  1.898438       6.889725  
1 1 1 -14 7   10 f 311.651 5.4916  52690.48   1853.70  53377.44   2140.51  50629.98   3707.15  313.590 6.3021  304.657 11.235  8.933441       12.88150  
1 1 1 -14 7   11 o 165.878 3.5055  14912.60   629.817  14548.68   728.446  15990.16   1253.47  163.818 4.1055  171.589 6.7446  -7.770264      7.895876  
1 1 1 -14 7   12 o 66.277  2.9436  2380.28    211.305  2393.89    246.281  2342.30    411.360  66.370  3.4378  65.427  5.8672  0.9430389      6.800180  
1 1 1 -14 7   13 o 84.517  2.9094  3870.78    266.326  3689.98    309.642  4384.82    522.094  82.508  3.4649  89.723  5.3976  -7.214699      6.414035  
1 1 1 -14 7   14 o 127.935 3.0662  8870.40    424.873  9423.37    603.612  8327.39    598.147  131.817 4.2278  123.905 4.4571  7.912155       6.143275  
1 1 1 -14 7   15 o 154.041 3.3579  12862.78   560.237  12547.12   799.043  13168.00   785.714  152.058 4.8517  155.787 4.6565  -3.729340      6.724719  
1 1 1 -14 7   16 o 240.201 4.4541  31304.41   1158.78  31851.17   1640.60  30760.09   1636.94  242.068 6.2574  237.872 6.3536  4.195831       8.917579  
1 1 1 -14 7   17 o 192.803 3.8339  20163.01   800.622  20016.01   1133.46  20309.38   1131.04  191.944 5.4521  193.351 5.4008  -1.407272      7.674266  
1 1 1 -14 7   18 o 241.432 4.4588  31643.17   1165.95  31080.49   1650.42  32203.80   1647.40  238.974 6.3764  243.278 6.2521  -4.303314      8.930118  
1 1 1 -14 7   19 o 147.778 3.3383  11846.09   534.328  10945.38   751.761  12765.71   759.609  141.916 4.8908  153.297 4.5749  -11.38101      6.697011  
1 1 1 -14 7   20 o 100.551 3.0880  5485.07    336.302  4989.64    478.454  5968.87    472.801  95.797  4.6112  104.815 4.1647  -9.017624      6.213557  
1 1 1 -14 7   21 o 112.227 3.1203  6837.27    379.286  6375.76    539.155  7289.44    533.671  108.220 4.5998  115.758 4.2565  -7.538239      6.267022  
1 1 1 -14 7   22 o 156.842 3.5836  13378.20   608.762  13631.08   901.343  13166.10   825.489  157.932 5.2692  155.309 4.9073  2.623749       7.200484  
1 1 1 -14 7   23 o 21.636  6.9414  253.292    184.306  436.309    251.030  39.268     271.463  27.675  7.9528  18.831  7.8968  8.844334       11.20738  
1 1 1 -14 7   24 o 22.210  7.4774  259.480    212.876  131.597    313.509  368.881    289.970  21.596  8.7061  26.163  8.7272  -4.567009      12.32719  
1 1 1 -14 7   25 o 47.785  4.6805  1265.28    239.135  1413.41    350.831  1136.72    326.819  49.990  6.6441  44.642  6.9884  5.347740       9.642677  
1 1 1 -14 7   26 o 50.069  4.7139  1392.14    252.626  1453.98    383.557  1344.75    335.734  50.368  7.2388  48.654  6.5363  1.714737       9.753129  
1 1 1 -14 7   27 f 86.115  3.0400  4050.47    283.547  4257.36    468.703  3931.04    356.100  87.538  4.9639  84.608  3.8859  2.929916       6.304015  
1 1 1 -14 7   28 o 22.640  7.7008  281.407    225.809  654.509    335.683  -26.9617   305.177  32.718  9.1272  18.386  8.0470  14.33288       12.16797  
1 1 1 -14 7   29 o 102.371 3.4121  5763.72    378.326  5476.63    544.015  6032.60    526.484  98.739  5.1043  104.036 4.6723  -5.297180      6.919886  
1 1 1 -14 7   30 o 27.647  7.8633  470.485    246.654  38.907     358.356  859.004    340.010  20.313  8.8073  36.980  8.6440  -16.66760      12.34048  
1 1 1 -14 7   31 o 35.775  6.9692  790.892    260.332  461.849    376.513  1092.29    360.348  26.854  9.8654  41.157  8.3687  -14.30354      12.93678  
1 1 1 -14 7   32 o 25.600  11.282  319.535    609.057  319.535    609.057  0.0000     0.0000   25.600  11.282  ?       ?       0.000000       11.28164  
1 1 1 -14 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 8   1  o 245.419 8.9992  32711.46   2392.11  0.0000     0.0000   32711.46   2392.11  ?       ?       245.419 8.9992  0.000000       8.999175  
1 1 1 -14 8   2  o 94.537  5.5935  4862.33    570.196  0.0000     0.0000   4862.33    570.196  ?       ?       94.537  5.5935  0.000000       5.593536  
1 1 1 -14 8   3  o 646.762 15.208  228424.30  10653.19 228186.20  15065.98 228662.30  15065.78 643.713 21.609  644.396 21.586  -0.6826782     30.54338  
1 1 1 -14 8   4  o 435.348 8.5222  102918.60  4018.47  105257.50  4921.13  98238.23   6961.52  439.987 10.327  424.091 15.156  15.89651       18.33934  
1 1 1 -14 8   5  o 228.822 4.2067  28375.22   1042.57  28390.35   1472.07  28360.01   1476.79  228.803 5.9401  228.680 5.9624  0.1234741      8.416355  
1 1 1 -14 8   6  o 247.235 4.4727  33130.39   1197.70  32769.74   1691.66  33492.88   1695.96  245.780 6.3547  248.480 6.3016  -2.700562      8.949479  
1 1 1 -14 8   7  o 710.408 11.651  275004.19  8964.78  277701.69  12677.54 272306.31  12678.68 711.712 16.446  704.677 16.612  7.034790       23.37560  
1 1 1 -14 8   8  o 363.270 7.1999  71650.58   2832.85  72021.38   3470.08  70909.70   4905.08  363.978 8.8023  360.440 12.564  3.537872       15.34096  
1 1 1 -14 8   9  f 179.353 4.1527  17436.54   806.685  17381.79   988.683  17545.58   1395.25  179.029 5.0987  179.748 7.1667  -0.7189026     8.795369  
1 1 1 -14 8   10 o 328.700 5.7107  58621.91   2033.10  57250.73   2347.62  62735.45   4066.21  324.721 6.6749  339.155 11.069  -14.43457      12.92613  
1 1 1 -14 8   11 o 59.988  3.0879  1955.12    199.950  1790.17    234.528  2394.10    382.594  57.343  3.7976  66.211  5.3816  -8.867912      6.586617  
1 1 1 -14 8   12 o 55.659  3.1387  1684.15    188.443  1580.36    219.924  1970.83    365.511  53.860  3.7942  59.991  5.6935  -6.130093      6.841934  
1 1 1 -14 8   13 o 79.217  3.0318  3400.74    260.126  3250.61    301.918  3833.24    512.436  77.437  3.5997  83.840  5.6766  -6.402481      6.721700  
1 1 1 -14 8   14 o 107.757 2.9933  6292.84    349.356  5667.47    502.319  6878.71    486.202  102.215 4.5373  112.631 3.9856  -10.41543      6.039170  
1 1 1 -14 8   15 o 158.693 3.3885  13651.71   582.409  13321.39   826.066  13978.19   821.257  156.678 4.8678  160.503 4.7242  -3.825562      6.783332  
1 1 1 -14 8   16 o 217.548 4.1262  25671.64   972.249  26058.10   1377.19  25287.68   1372.76  219.005 5.8059  215.735 5.8749  3.270096       8.259742  
1 1 1 -14 8   17 o 220.132 4.3140  26295.67   1028.58  26554.28   1371.03  25962.71   1555.66  221.042 5.7267  218.443 6.5752  2.599396       8.719382  
1 1 1 -14 8   18 o 88.341  3.1350  4231.46    299.963  4593.96    436.550  3907.23    412.865  91.995  4.3813  84.715  4.5159  7.279800       6.292008  
1 1 1 -14 8   19 o 130.049 3.1967  9173.04    450.269  9724.92    632.398  8605.60    641.248  133.816 4.3633  125.851 4.7043  7.965225       6.416308  
1 1 1 -14 8   20 o 119.181 3.1978  7707.10    412.791  8179.07    596.597  7273.63    571.744  122.661 4.4906  115.665 4.5638  6.995674       6.402662  
1 1 1 -14 8   21 o 180.063 3.8229  17623.05   745.569  16644.67   1118.95  18404.25   999.857  174.548 5.9187  183.766 5.0234  -9.218704      7.763127  
1 1 1 -14 8   22 o 111.862 3.1091  6798.31    376.696  5823.11    535.179  7755.85    530.311  103.302 4.7832  119.339 4.1028  -16.03645      6.301742  
1 1 1 -14 8   23 o 17.669  6.7378  121.484    179.067  10.655     244.976  248.638    262.398  17.463  7.4212  22.900  8.2625  -5.436506      11.10601  
1 1 1 -14 8   24 o 117.647 3.2665  7537.75    416.229  7847.34    596.891  7244.71    580.716  119.708 4.6037  115.003 4.6621  4.704575       6.552018  
1 1 1 -14 8   25 o 92.680  3.3306  4684.83    334.332  4466.14    481.944  4887.69    464.189  89.974  4.9647  94.380  4.5409  -4.406166      6.728158  
1 1 1 -14 8   26 f 41.493  2.1384  938.092    95.777   947.580    100.439  842.946    318.054  41.691  2.2324  37.891  8.0009  3.800522       8.306510  
1 1 1 -14 8   27 o 118.979 3.2492  7741.81    418.712  7833.32    596.744  7653.06    587.659  119.084 4.6266  117.714 4.6092  1.369484       6.530730  
1 1 1 -14 8   28 o 64.461  2.5131  2266.29    175.459  2556.84    199.655  1280.78    367.708  68.432  2.6937  46.685  7.5280  21.74722       7.995469  
1 1 1 -14 8   29 o 29.796  7.3976  534.831    237.634  552.131    351.746  520.306    322.310  30.004  9.5856  29.204  9.1575  0.7993889      13.25682  
1 1 1 -14 8   30 o 23.110  7.9842  305.395    242.982  268.685    355.366  337.625    332.981  23.847  9.3818  24.854  9.2502  -1.006220      13.17519  
1 1 1 -14 8   31 o 25.173  8.2829  402.160    261.525  562.894    365.558  233.645    374.302  28.870  9.7982  22.805  9.3924  6.064760       13.57285  
1 1 1 -14 8   32 o 32.809  12.606  925.422    629.703  925.422    629.703  0.0000     0.0000   32.809  12.606  ?       ?       0.000000       12.60552  
1 1 1 -14 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 9   1  o 509.502 17.175  142071.80  9477.99  0.0000     0.0000   142071.80  9477.99  ?       ?       509.502 17.175  0.000000       17.17511  
1 1 1 -14 9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 9   3  o 531.594 17.894  154837.00  10302.60 154837.00  10302.60 0.0000     0.0000   531.594 17.894  ?       ?       0.000000       17.89354  
1 1 1 -14 9   4  o 415.527 8.1341  93741.61   3660.82  92975.35   4483.05  95275.21   6342.20  413.558 10.008  417.880 14.013  -4.321747      17.21978  
1 1 1 -14 9   5  o 262.351 4.7386  37307.59   1346.49  36429.02   1902.24  38189.86   1906.23  259.122 6.7778  265.320 6.6334  -6.198853      9.483709  
1 1 1 -14 9   6  o 39.629  1.8240  850.586    78.288   845.496    182.810  851.729    86.635   39.254  4.3742  39.603  2.0265  -0.3487968     4.820821  
1 1 1 -14 9   7  o 155.021 2.8671  13019.19   481.388  12694.45   616.946  13524.64   769.687  153.055 3.7216  157.957 4.4989  -4.902176      5.838679  
1 1 1 -14 9   8  o 360.746 7.1326  70656.81   2786.90  67189.45   3412.56  77599.84   4828.97  351.522 8.9631  377.213 11.819  -25.69080      14.83362  
1 1 1 -14 9   9  o 303.665 6.1478  50040.49   2022.01  47772.21   2476.07  54581.16   3503.28  296.529 7.7095  316.573 10.217  -20.04346      12.79947  
1 1 1 -14 9   10 o 286.892 5.1059  44641.31   1586.57  44828.47   1832.54  44081.13   3170.43  287.420 5.8866  284.424 10.292  2.996582       11.85618  
1 1 1 -14 9   11 o 260.369 4.7324  36765.41   1334.56  36655.08   1541.98  37094.73   2664.12  259.915 5.4774  260.981 9.4249  -1.065704      10.90092  
1 1 1 -14 9   12 o 277.047 4.9923  41638.88   1498.04  40638.21   1730.60  44629.62   2991.88  273.611 5.8397  286.147 9.6535  -12.53610      11.28240  
1 1 1 -14 9   13 o 123.118 3.0456  8214.56    406.129  8366.30    470.604  7771.77    803.881  124.236 3.4973  119.459 6.2346  4.776779       7.148576  
1 1 1 -14 9   14 o 95.678  2.9527  4961.02    305.988  4782.42    353.361  5496.39    611.784  93.927  3.4734  100.457 5.6456  -6.529518      6.628558  
1 1 1 -14 9   15 o 52.732  3.4125  1513.70    193.856  1256.17    280.906  1747.88    267.867  47.781  5.5301  56.593  4.4047  -8.811806      7.069929  
1 1 1 -14 9   16 o 124.697 3.1719  8428.90    428.397  7428.10    616.416  9363.88    595.798  116.984 4.8649  131.384 4.1868  -14.40022      6.418509  
1 1 1 -14 9   17 o 100.759 3.0207  5503.49    329.654  5675.25    472.780  5340.97    459.888  102.268 4.2682  99.210  4.2798  3.058083       6.044416  
1 1 1 -14 9   18 o 49.796  3.9109  1353.66    209.233  1595.05    299.700  1124.14    292.241  53.934  5.1947  45.045  6.1508  8.889317       8.050895  
1 1 1 -14 9   19 o 139.300 3.2894  10525.71   496.288  9672.98    704.145  11367.44   699.591  133.409 4.8731  144.664 4.4649  -11.25500      6.609292  
1 1 1 -14 9   20 o 325.652 5.6878  57786.68   2006.16  59021.59   2840.77  56558.06   2833.53  328.130 7.9932  321.134 8.1465  6.996094       11.41299  
1 1 1 -14 9   21 o 234.406 4.3867  29901.91   1113.71  29867.14   1577.65  29936.45   1572.43  233.691 6.2330  233.972 6.2049  -0.2813416     8.794980  
1 1 1 -14 9   22 o 17.522  6.6876  117.526    176.505  13.508     263.287  202.434    237.875  18.176  7.7074  21.329  7.8406  -3.153160      10.99452  
1 1 1 -14 9   23 o 50.962  4.0167  1425.00    219.912  1332.46    300.417  1531.84    322.792  48.922  5.7813  52.502  5.7718  -3.579689      8.169285  
1 1 1 -14 9   24 o 33.832  1.9426  623.136    70.883   614.886    73.864   719.226    252.077  33.597  2.0395  35.449  6.8128  -1.851959      7.111551  
1 1 1 -14 9   25 o 99.303  3.2931  5377.70    354.187  5623.20    510.473  5149.80    491.840  101.193 4.6575  96.830  4.6897  4.362473       6.609499  
1 1 1 -14 9   26 o 53.490  4.4842  1584.00    257.398  1778.23    393.022  1438.12    340.609  56.021  6.6042  50.384  6.3848  5.636887       9.185936  
1 1 1 -14 9   27 o ?       ?       -174.8895  24.938   448.132    328.858  -178.4930  25.010   28.002  9.2917  ?       ?       0.000000       9.291725  
1 1 1 -14 9   28 o 42.934  2.4013  1007.85    111.217  988.133    117.917  1166.68    334.705  42.480  2.5750  44.675  7.1589  -2.194748      7.607939  
1 1 1 -14 9   29 o 55.472  2.1021  1676.31    126.297  1559.74    179.761  1789.94    177.482  53.229  3.1318  57.104  2.8788  -3.875061      4.253957  
1 1 1 -14 9   30 o 17.991  7.4314  88.382     235.222  113.057    350.969  68.261     316.936  21.195  8.9383  19.743  8.4167  1.452494       12.27736  
1 1 1 -14 9   31 o 18.635  7.7393  113.801    257.118  137.796    364.642  90.073     362.607  21.188  9.0303  20.483  8.8703  0.7050514      12.65820  
1 1 1 -14 9   32 o 17.764  8.7738  -867.0138  614.567  -867.0138  614.567  0.0000     0.0000   17.764  8.7738  ?       ?       0.000000       8.773779  
1 1 1 -14 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 10  1  o 345.904 11.981  65136.23   4488.64  0.0000     0.0000   65136.23   4488.64  ?       ?       345.904 11.981  0.000000       11.98088  
1 1 1 -14 10  2  o 437.769 14.869  104624.50  7050.33  104624.50  7050.33  0.0000     0.0000   437.769 14.869  ?       ?       0.000000       14.86944  
1 1 1 -14 10  3  o 777.708 26.151  335918.81  22028.38 335918.81  22028.38 0.0000     0.0000   777.708 26.151  ?       ?       0.000000       26.15145  
1 1 1 -14 10  4  o 414.673 12.007  93642.45   5392.71  90602.30   6455.92  100660.60  9808.96  407.338 14.633  427.429 21.188  -20.09085      25.74982  
1 1 1 -14 10  5  o 178.240 3.6422  17214.10   703.135  18224.62   988.955  16181.09   999.903  183.354 4.9799  172.755 5.3439  10.59857       7.304524  
1 1 1 -14 10  6  o 202.748 3.8927  22276.20   854.820  21910.38   1203.71  22648.40   1214.16  201.009 5.5288  204.369 5.4852  -3.359467      7.788152  
1 1 1 -14 10  7  o 226.012 4.4421  27689.04   1087.41  27886.55   1179.15  26565.77   2812.02  226.799 4.8002  220.450 11.820  6.349869       12.75766  
1 1 1 -14 10  8  o 395.729 7.7236  85065.78   3310.47  84412.18   4054.44  86373.08   5734.03  393.899 9.5033  397.572 13.316  -3.672363      16.35938  
1 1 1 -14 10  9  o 62.167  3.3118  2100.18    222.193  2553.07    275.073  1249.87    376.910  68.534  3.7196  47.378  7.6021  21.15649       8.463287  
1 1 1 -14 10  10 o 157.642 3.3737  13467.16   576.039  12923.06   666.415  15075.03   1145.59  154.404 3.9849  166.646 6.3469  -12.24150      7.494195  
1 1 1 -14 10  11 o 157.568 3.3795  13455.43   576.762  13274.56   668.738  13980.67   1139.57  156.485 3.9456  160.451 6.5574  -3.966354      7.652902  
1 1 1 -14 10  12 o 297.498 5.2701  48023.35   1698.15  47605.14   1961.04  49276.98   3395.29  296.101 6.1147  300.507 10.432  -4.406464      12.09168  
1 1 1 -14 10  13 o 105.719 2.9336  6056.56    335.912  6188.49    391.493  5688.36    654.035  106.853 3.3827  102.181 5.9352  4.671623       6.831529  
1 1 1 -14 10  14 o 139.864 3.1722  10602.49   480.555  10742.60   556.719  10192.93   951.823  140.767 3.6515  136.964 6.4162  3.803162       7.382505  
1 1 1 -14 10  15 o 130.665 3.1250  9254.01    442.255  9861.92    634.899  8681.02    616.396  134.834 4.3474  126.497 4.4989  8.337456       6.256252  
1 1 1 -14 10  16 o 132.292 3.1759  9487.00    455.058  9329.25    653.877  9635.17    633.696  131.117 4.6043  133.262 4.3904  -2.144806      6.362046  
1 1 1 -14 10  17 o 127.966 3.1869  8878.02    441.710  9018.02    637.234  8748.54    612.825  128.895 4.5645  126.961 4.4565  1.933586       6.379280  
1 1 1 -14 10  18 o 63.090  3.3839  2164.82    230.389  2887.24    333.868  1508.10    318.325  72.811  4.2521  52.358  5.7057  20.45277       7.115825  
1 1 1 -14 10  19 o 44.021  4.4848  1063.49    210.846  1192.06    313.178  956.908    285.151  46.341  6.4113  41.399  6.5796  4.942451       9.186747  
1 1 1 -14 10  20 o 167.168 3.5703  15171.11   646.430  14936.68   922.415  15397.36   906.182  165.652 5.1411  168.214 4.9737  -2.562622      7.153276  
1 1 1 -14 10  21 o 89.658  3.1895  4364.69    309.728  4062.17    452.697  4630.93    424.686  86.210  4.8681  92.258  4.2500  -6.048111      6.462293  
1 1 1 -14 10  22 o 42.415  4.4433  991.369    201.098  1138.14    300.254  871.969    270.811  45.117  6.3177  39.326  6.5912  5.791077       9.130037  
1 1 1 -14 10  23 o 81.046  3.2251  3573.50    283.103  3058.11    392.571  4131.96    408.648  74.599  4.8856  86.989  4.3373  -12.38922      6.533080  
1 1 1 -14 10  24 o 95.621  3.0423  4976.04    315.079  4660.99    496.247  5188.83    407.829  92.030  4.9972  97.497  3.8620  -5.466797      6.315658  
1 1 1 -14 10  25 o 101.572 3.2981  5626.72    362.832  5886.18    527.551  5393.83    499.815  103.510 4.7056  99.101  4.6565  4.408951       6.620090  
1 1 1 -14 10  26 o 39.341  5.8329  877.302    241.015  762.138    375.677  957.858    314.198  35.641  9.5422  40.638  7.4114  -4.997540      12.08231  
1 1 1 -14 10  27 o 51.359  2.5504  1437.28    141.874  1970.54    386.870  1354.41    152.498  58.994  6.1448  49.741  2.8424  9.253181       6.770351  
1 1 1 -14 10  28 o 50.738  4.7311  1441.04    256.998  1579.21    385.888  1330.90    344.520  52.177  7.0052  47.915  6.8321  4.262733       9.785159  
1 1 1 -14 10  29 o 32.236  1.3066  564.057    45.620   634.635    65.126   496.062    63.923   34.116  1.7686  30.123  1.9701  3.992260       2.647447  
1 1 1 -14 10  30 o 34.685  6.8206  722.171    247.097  675.411    375.715  757.812    328.016  32.276  9.8486  34.599  8.7480  -2.322586      13.17278  
1 1 1 -14 10  31 o 27.108  8.2874  477.767    265.874  461.275    381.202  493.390    371.010  26.756  9.9094  27.353  9.8301  -0.5973930     13.95804  
1 1 1 -14 10  32 o 28.106  12.644  482.354    806.865  482.354    806.865  0.0000     0.0000   28.106  12.644  ?       ?       0.000000       12.64425  
1 1 1 -14 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 11  1  o 161.975 3.8882  14216.19   682.132  14113.80   836.290  14419.72   1179.09  161.368 4.7849  163.041 6.6770  -1.673630      8.214425  
1 1 1 -14 11  2  o 435.047 10.438  102914.80  4918.40  100251.40  6956.90  105576.30  6954.44  428.459 14.991  439.785 14.600  -11.32602      20.92596  
1 1 1 -14 11  3  o 263.126 6.7284  37559.32   1917.56  39391.01   2710.89  35725.05   2712.79  269.255 9.2956  256.376 9.7694  12.87918       13.48516  
1 1 1 -14 11  4  o 82.004  3.3375  3643.31    296.427  3703.97    484.061  3606.92    374.954  82.473  5.4497  81.470  4.2640  1.003197       6.919617  
1 1 1 -14 11  5  o 148.167 4.9460  11900.96   793.732  11740.71   1039.92  12124.61   1228.52  147.110 6.5266  149.254 7.6250  -2.144028      10.03676  
1 1 1 -14 11  6  o 267.843 4.8223  38890.90   1398.96  40312.17   1976.77  37464.84   1980.09  272.563 6.6960  262.740 6.9581  9.822845       9.656696  
1 1 1 -14 11  7  o 365.102 6.2552  72323.51   2473.58  71843.71   2855.74  73764.94   4949.78  363.772 7.2480  367.712 12.428  -3.939636      14.38726  
1 1 1 -14 11  8  o 317.606 6.3314  54741.36   2177.99  53513.88   2667.00  57198.99   3773.76  313.852 7.8456  324.028 10.753  -10.17630      13.31079  
1 1 1 -14 11  9  o 352.781 6.9975  67580.93   2673.74  65998.03   3274.16  70749.52   4632.41  348.372 8.6773  360.043 11.879  -11.67102      14.71082  
1 1 1 -14 11  10 o 77.848  2.9125  3283.64    245.575  3023.80    289.087  3957.21    465.446  74.695  3.5733  85.267  5.0625  -10.57231      6.196575  
1 1 1 -14 11  11 o 206.499 3.9668  23116.37   887.221  22773.78   1025.20  24138.35   1770.68  204.925 4.6189  210.709 7.7586  -5.783875      9.029467  
1 1 1 -14 11  12 f 257.487 4.6758  35959.90   1304.02  35413.44   1506.39  37593.73   2604.74  255.453 5.4445  262.701 9.1545  -7.247192      10.65112  
1 1 1 -14 11  13 o 175.429 3.6084  16683.00   685.619  16706.18   794.382  16615.30   1357.51  175.522 4.1786  174.819 7.1694  0.7029724      8.298256  
1 1 1 -14 11  14 o 92.172  3.0135  4604.25    300.848  4416.43    352.093  5112.30    579.081  90.258  3.6017  96.881  5.5416  -6.623360      6.609181  
1 1 1 -14 11  15 o 308.378 5.4321  51633.96   1814.34  51460.13   2566.93  51807.51   2564.79  307.454 7.7084  308.497 7.6759  -1.042755      10.87837  
1 1 1 -14 11  16 o 112.470 3.0272  6856.43    368.759  6793.82    526.936  6916.53    516.237  111.902 4.3476  112.914 4.2212  -1.012016      6.059689  
1 1 1 -14 11  17 o 200.546 3.9463  21818.37   857.184  22027.89   1219.45  21613.73   1205.16  201.331 5.5922  199.431 5.5793  1.900040       7.899470  
1 1 1 -14 11  18 o 199.714 3.9165  21642.25   847.188  21245.53   1201.68  22034.30   1194.56  197.672 5.6127  201.327 5.4782  -3.654999      7.843014  
1 1 1 -14 11  19 o 188.772 3.8275  19341.74   782.565  19121.41   1113.86  19556.50   1099.71  187.471 5.4856  189.612 5.3548  -2.141541      7.665877  
1 1 1 -14 11  20 o 48.437  4.1902  1284.40    217.663  1315.06    303.390  1251.88    312.455  48.770  5.8609  47.503  6.2225  1.266968       8.548072  
1 1 1 -14 11  21 o 86.313  2.8544  4043.14    266.843  3865.19    432.897  4152.19    338.882  84.098  4.7722  87.416  3.5792  -3.317528      5.965295  
1 1 1 -14 11  22 o 78.083  3.2446  3313.95    274.401  3417.50    404.759  3225.88    373.274  78.989  4.7532  76.779  4.5084  2.210350       6.551223  
1 1 1 -14 11  23 o 120.954 3.1621  7958.09    414.246  7779.89    582.471  8140.47    589.251  119.319 4.5071  122.065 4.4570  -2.745872      6.338644  
1 1 1 -14 11  24 o 52.986  2.4329  1525.23    139.619  1862.02    391.681  1476.20    149.435  57.683  6.3759  52.044  2.6599  5.638802       6.908474  
1 1 1 -14 11  25 o 60.025  4.0104  1980.40    259.226  1948.23    389.532  2005.97    347.296  58.938  6.1948  60.059  5.3965  -1.120846      8.215665  
1 1 1 -14 11  26 o 24.562  7.5604  343.329    220.840  590.917    338.914  160.631    291.133  31.609  9.2864  21.382  8.4663  10.22729       12.56642  
1 1 1 -14 11  27 o 51.275  4.7766  1466.36    262.223  1693.12    409.159  1308.30    341.596  54.219  7.1411  47.698  6.8050  6.520569       9.864264  
1 1 1 -14 11  28 o 37.508  6.1835  813.237    242.449  725.153    368.864  880.238    321.705  34.253  9.5720  38.325  8.0081  -4.072094      12.48011  
1 1 1 -14 11  29 o 26.942  7.7270  436.889    237.186  955.985    362.049  46.592     313.936  39.409  8.7136  19.569  8.3604  19.84017       12.07574  
1 1 1 -14 11  30 o 23.068  7.9006  307.179    237.694  402.822    363.710  235.878    314.036  26.411  9.6972  22.533  8.8337  3.877546       13.11752  
1 1 1 -14 11  31 o 48.649  2.7493  1309.54    144.270  1997.48    438.112  1225.87    152.792  56.842  7.2837  46.961  3.0200  9.881565       7.884937  
1 1 1 -14 11  32 o 20.300  9.8242  -493.2950  662.206  -493.2950  662.206  0.0000     0.0000   20.300  9.8242  ?       ?       0.000000       9.824215  
1 1 1 -14 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 12  1  o 424.713 8.3401  97944.55   3836.49  97346.52   4699.56  99139.33   6642.64  423.128 10.255  426.183 14.390  -3.055145      17.67031  
1 1 1 -14 12  2  o 323.825 6.0840  56868.72   2133.87  56596.56   2805.35  57242.36   3287.06  322.880 8.0219  324.575 9.3502  -1.694214      12.31979  
1 1 1 -14 12  3  o 258.686 5.4251  36281.41   1520.02  37236.48   2630.04  35802.40   1862.59  261.781 9.2759  256.896 6.6941  4.884827       11.43907  
1 1 1 -14 12  4  o 241.273 7.3124  31593.22   1910.91  30937.57   2347.43  32881.20   3290.13  238.617 9.0828  245.335 12.422  -6.718491      15.38862  
1 1 1 -14 12  5  o 571.911 16.347  179139.50  10125.73 174909.80  12048.82 189309.30  18682.83 563.676 19.735  579.703 29.857  -16.02734      35.78991  
1 1 1 -14 12  6  o 146.936 4.5798  11703.36   728.867  11931.99   1026.44  11470.81   1035.17  148.298 6.3903  145.396 6.5734  2.901932       9.167635  
1 1 1 -14 12  7  o 356.800 6.0897  69067.18   2353.38  67184.13   2717.02  74723.48   4708.98  351.785 7.1309  370.219 11.744  -18.43378      13.73899  
1 1 1 -14 12  8  o 230.999 4.2914  28925.37   1073.69  28417.46   1239.89  30448.13   2146.88  228.923 5.0006  236.682 8.3747  -7.759399      9.754109  
1 1 1 -14 12  9  o 542.601 12.876  160917.41  7567.05  160593.50  10702.23 161241.30  10700.63 539.528 18.314  540.637 18.274  -1.109009      25.87182  
1 1 1 -14 12  10 o 317.399 5.5424  54657.46   1905.35  52220.61   2200.05  61969.53   3811.00  310.130 6.5497  337.176 10.435  -27.04599      12.32060  
1 1 1 -14 12  11 o 108.453 2.9661  6373.44    348.413  6359.68    407.352  6410.94    672.465  108.324 3.4720  108.534 5.7409  -0.2100067     6.709135  
1 1 1 -14 12  12 o 345.555 5.9782  64829.50   2237.48  66143.12   2584.08  60894.27   4472.58  348.903 6.8380  333.521 12.381  15.38168       14.14406  
1 1 1 -14 12  13 o 148.732 3.3175  11989.78   534.414  11281.23   617.989  14090.88   1064.19  144.244 3.9556  161.077 6.0998  -16.83229      7.270091  
1 1 1 -14 12  14 o 176.479 3.6558  16885.16   698.782  16718.66   809.155  17373.64   1385.96  175.573 4.2550  178.736 7.1593  -3.162842      8.328305  
1 1 1 -14 12  15 o 119.667 3.0813  7761.71    399.374  7082.03    566.372  8433.88    563.240  114.250 4.5769  124.698 4.1703  -10.44798      6.191890  
1 1 1 -14 12  16 o 161.862 3.4635  14205.01   607.206  13727.46   862.204  14674.93   855.276  159.016 5.0061  164.428 4.8024  -5.412201      6.937167  
1 1 1 -14 12  17 o 210.539 4.0312  24048.84   919.248  24008.66   1303.04  24088.64   1297.01  210.169 5.7243  210.523 5.6882  -0.3545990     8.069846  
1 1 1 -14 12  18 o 279.126 5.0039  42329.54   1512.79  42715.84   2144.31  41946.77   2134.54  279.947 7.0720  277.407 7.1042  2.539734       10.02415  
1 1 1 -14 12  19 o 80.172  3.2167  3486.47    279.316  3450.51    395.114  3522.39    394.912  79.558  4.6050  80.390  4.5542  -0.8327713     6.476658  
1 1 1 -14 12  20 o 105.119 3.0995  5995.65    352.891  6259.08    504.192  5742.68    494.089  107.304 4.3382  102.773 4.4387  4.530899       6.206598  
1 1 1 -14 12  21 o 70.079  3.2577  2667.10    247.269  2565.56    355.656  2762.10    344.017  68.449  4.8282  71.086  4.4912  -2.636787      6.594110  
1 1 1 -14 12  22 o 108.865 3.1070  6440.08    366.357  6248.00    535.434  6609.16    502.359  107.009 4.6197  110.128 4.2116  -3.118973      6.251355  
1 1 1 -14 12  23 o 18.042  1.9551  178.643    37.593   433.157    256.662  173.064    38.002   27.601  8.0735  17.747  2.0126  9.853548       8.320630  
1 1 1 -14 12  24 o 68.561  3.5606  2569.86    263.493  3384.35    429.893  2079.74    333.478  78.346  5.0938  61.346  5.0642  17.00003       7.182827  
1 1 1 -14 12  25 o 18.765  7.2785  131.594    211.450  101.720    324.934  153.538    278.483  21.252  8.7517  21.017  8.2934  0.2358475      12.05707  
1 1 1 -14 12  26 o 52.303  4.4368  1514.70    248.973  1596.24    376.621  1451.41    331.822  52.982  6.7136  50.674  6.1733  2.308273       9.120428  
1 1 1 -14 12  27 o 102.586 3.4417  5763.85    382.414  5894.05    575.237  5660.74    511.915  102.891 5.1783  101.187 4.6709  1.704201       6.973711  
1 1 1 -14 12  28 o 72.295  3.8695  2887.32    301.895  3260.84    466.683  2618.52    395.886  75.984  5.7124  68.200  5.4036  7.783699       7.863256  
1 1 1 -14 12  29 o 41.293  5.9198  983.623    257.185  859.432    404.974  1067.56    332.944  36.780  9.9327  42.299  7.5438  -5.519695      12.47270  
1 1 1 -14 12  30 o 21.523  2.5024  256.900    57.247   244.266    58.069   693.561    341.394  20.957  2.6152  32.843  9.2196  -11.88566      9.583345  
1 1 1 -14 12  31 o 18.844  7.6602  141.503    244.937  -49.4013   374.139  284.692    324.026  18.922  8.5522  22.900  8.9743  -3.977661      12.39671  
1 1 1 -14 12  32 o 25.208  11.455  216.900    682.321  216.900    682.321  0.0000     0.0000   25.208  11.455  ?       ?       0.000000       11.45516  
1 1 1 -14 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 13  1  o 177.628 3.5456  17095.26   682.140  16719.13   963.853  17472.70   965.531  175.618 5.0672  179.536 4.9653  -3.917725      7.094437  
1 1 1 -14 13  2  o 117.901 2.8358  7530.32    362.136  6597.93    505.487  8513.45    519.057  110.340 4.2297  125.345 3.8233  -15.00575      5.701553  
1 1 1 -14 13  3  o 183.901 3.6184  18324.62   720.728  17713.65   1016.22  18942.96   1022.33  180.759 5.1906  186.932 5.0494  -6.172440      7.241449  
1 1 1 -14 13  4  o 228.545 5.1419  28317.60   1272.81  26561.37   2016.28  29481.12   1641.15  221.142 8.4180  233.117 6.4999  -11.97491      10.63536  
1 1 1 -14 13  5  o 191.677 5.3504  19921.32   1110.78  20449.56   1566.68  19387.38   1575.11  194.089 7.4527  188.966 7.6959  5.122879       10.71301  
1 1 1 -14 13  6  o 183.745 5.1964  18306.74   1034.17  18706.23   1459.05  17903.41   1466.05  185.629 7.2569  181.590 7.4539  4.039124       10.40308  
1 1 1 -14 13  7  o 435.484 10.453  103258.50  4930.42  106296.40  6972.02  100219.60  6973.31  440.716 14.606  427.795 15.050  12.92068       20.97217  
1 1 1 -14 13  8  o 301.460 5.2756  49287.91   1722.54  48726.32   1989.39  50970.18   3443.18  299.661 6.1294  305.913 10.392  -6.252686      12.06480  
1 1 1 -14 13  9  o 157.046 4.7430  13373.58   806.774  12684.01   1143.15  14057.88   1138.77  152.835 6.9057  160.923 6.5335  -8.087082      9.506622  
1 1 1 -14 13  10 o 83.180  2.8648  3748.84    258.094  3902.79    303.066  3342.48    492.383  84.864  3.2972  78.264  5.8509  6.600594       6.716020  
1 1 1 -14 13  11 o 343.368 5.9428  64000.29   2210.14  61507.84   2551.97  71479.60   4420.72  336.462 7.0028  361.772 11.282  -25.31024      13.27867  
1 1 1 -14 13  12 o 129.465 3.1141  9083.37    436.677  8859.01    507.872  9719.57    855.220  127.839 3.6679  133.802 5.9013  -5.963058      6.948277  
1 1 1 -14 13  13 o 402.473 6.8484  88040.21   2985.36  85665.24   3447.45  95160.98   5969.42  396.742 8.0227  416.387 13.236  -19.64548      15.47778  
1 1 1 -14 13  14 o 356.758 6.1335  69141.66   2370.04  67394.74   2736.95  74378.35   4738.71  352.020 7.1784  368.452 11.874  -16.43140      13.87550  
1 1 1 -14 13  15 o 199.407 3.9373  21563.48   850.371  20441.55   982.099  24924.45   1699.83  194.096 4.6716  214.021 7.3330  -19.92538      8.694624  
1 1 1 -14 13  16 f 91.991  3.0246  4586.94    301.362  4726.23    441.700  4465.62    412.208  93.331  4.3695  90.728  4.1947  2.602959       6.057088  
1 1 1 -14 13  17 o 162.213 3.4597  14269.19   607.840  15522.78   864.931  13045.95   854.397  169.090 4.7227  154.983 5.0899  14.10738       6.943394  
1 1 1 -14 13  18 o 184.592 3.7644  18487.28   752.621  17554.65   1073.08  19390.22   1055.86  179.685 5.5138  188.892 5.1609  -9.207260      7.552265  
1 1 1 -14 13  19 o 128.846 3.1856  9004.95    444.566  9044.10    636.157  8967.59    621.521  129.016 4.5525  128.478 4.4664  0.5389404      6.377613  
1 1 1 -14 13  20 o 198.404 3.9135  21384.71   840.981  21756.05   1193.10  21018.03   1185.58  199.812 5.5130  196.380 5.5740  3.431793       7.839773  
1 1 1 -14 13  21 o 11.927  5.5009  -130.3509  165.267  -314.3489  241.298  32.227     226.818  12.993  6.1929  17.313  7.2362  -4.320688      9.524459  
1 1 1 -14 13  22 o 25.144  6.6283  360.247    183.073  402.659    276.377  327.088    244.376  27.017  8.4812  24.649  8.0017  2.368450       11.66010  
1 1 1 -14 13  23 o 78.311  2.7358  3332.46    232.046  2960.48    382.879  3548.41    291.726  73.390  4.8440  80.742  3.3359  -7.351433      5.881508  
1 1 1 -14 13  24 o 128.558 3.3466  9005.09    465.982  9380.52    686.221  8683.84    634.776  130.775 4.8447  125.886 4.6556  4.888878       6.719051  
1 1 1 -14 13  25 o 32.354  6.5718  603.009    222.436  497.512    341.403  680.825    293.211  29.551  9.4439  34.069  8.0702  -4.518223      12.42239  
1 1 1 -14 13  26 o 43.556  1.4614  1029.14    68.943   1075.71    70.829   189.271    300.805  44.530  1.4685  22.153  8.6564  22.37722       8.780046  
1 1 1 -14 13  27 o 118.096 3.3786  7636.38    432.155  7621.56    630.534  7649.52    593.467  117.239 4.9655  117.619 4.6585  -0.3794708     6.808711  
1 1 1 -14 13  28 o 46.464  5.0695  1217.13    250.983  1296.47    385.413  1158.71    330.719  46.747  7.8931  44.508  7.0989  2.239048       10.61583  
1 1 1 -14 13  29 o 45.023  5.3162  1153.73    254.243  946.674    389.330  1307.68    335.709  38.873  9.3592  47.314  6.7416  -8.441002      11.53445  
1 1 1 -14 13  30 o 30.482  1.5083  505.194    49.795   503.944    50.342   561.838    338.921  30.404  1.5337  29.681  9.4015  0.7227573      9.525790  
1 1 1 -14 13  31 o 31.523  7.4972  634.608    252.242  892.814    390.188  449.228    330.615  35.757  9.7888  26.241  9.2955  9.516273       13.49915  
1 1 1 -14 13  32 o 28.035  12.211  531.386    695.278  531.386    695.278  0.0000     0.0000   28.035  12.211  ?       ?       0.000000       12.21137  
1 1 1 -14 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 14  1  o 377.253 6.4715  77202.52   2644.30  75680.77   3738.90  78725.42   3740.31  373.191 9.2500  380.649 9.0722  -7.457458      12.95638  
1 1 1 -14 14  2  o 599.237 10.026  195246.50  6507.38  199076.30  9202.46  191416.00  9203.19  603.912 14.069  592.085 14.351  11.82751       20.09693  
1 1 1 -14 14  3  o 409.160 7.5011  90870.67   3324.20  91304.11   4355.68  90266.05   5144.40  409.801 9.8133  407.135 11.666  2.665833       15.24463  
1 1 1 -14 14  4  o 339.226 5.8263  62407.97   2140.68  60611.90   3025.32  64208.93   3029.44  334.056 8.3615  343.852 8.1343  -9.796570      11.66537  
1 1 1 -14 14  5  o 529.272 10.065  152385.30  5769.89  146225.59  7065.17  164720.20  9997.91  517.810 12.597  548.077 16.842  -30.26721      21.03219  
1 1 1 -14 14  6  o 381.024 9.2540  78939.24   3819.00  80819.52   5399.31  77056.76   5402.46  384.794 12.955  375.655 13.278  9.138672       18.55098  
1 1 1 -14 14  7  o 95.540  4.0170  4947.26    415.676  4941.66    583.003  4953.04    592.829  95.279  5.6751  95.381  5.7656  -0.1022720     8.090037  
1 1 1 -14 14  8  o 410.740 9.8792  91842.30   4395.02  89337.73   6214.28  94348.84   6216.71  403.980 14.202  415.273 13.822  -11.29303      19.81772  
1 1 1 -14 14  9  o 75.246  3.4044  3068.29    277.455  2756.51    349.093  3603.02    457.179  71.157  4.5534  81.337  5.2170  -10.17970      6.924669  
1 1 1 -14 14  10 f 229.323 4.9428  28522.67   1227.69  28509.13   1505.92  28549.50   2119.94  229.182 6.0667  229.089 8.5438  0.9263611E-01  10.47857  
1 1 1 -14 14  11 o 268.515 4.8279  39107.41   1404.09  39407.24   1622.67  38213.94   2801.15  269.474 5.5596  264.790 9.7671  4.684052       11.23855  
1 1 1 -14 14  12 o 279.745 5.0173  42457.68   1520.22  41656.78   1755.88  44855.09   3037.93  277.004 5.8525  286.806 9.7796  -9.802490      11.39699  
1 1 1 -14 14  13 o 330.349 5.7199  59250.15   2046.61  60719.40   2364.05  54854.69   4088.93  334.292 6.5292  316.520 11.927  17.77188       13.59737  
1 1 1 -14 14  14 o 333.209 5.8402  60298.48   2107.72  59930.83   2434.58  61398.56   4211.34  332.030 6.7698  334.836 11.612  -2.805817      13.44158  
1 1 1 -14 14  15 o 31.282  5.6856  547.952    185.545  398.403    226.953  849.370    322.203  26.703  7.5245  38.795  7.9355  -12.09202      10.93580  
1 1 1 -14 14  16 o 18.829  6.6009  169.832    166.369  356.325    253.344  28.428     220.602  25.754  8.1252  17.096  7.1401  8.658205       10.81670  
1 1 1 -14 14  17 f 133.298 3.1887  9633.67    460.373  10143.30   664.582  9163.48    638.343  136.701 4.4885  129.928 4.5361  6.773315       6.381463  
1 1 1 -14 14  18 o 142.501 3.2537  11012.54   502.186  11670.37   717.023  10379.17   703.565  146.599 4.5158  138.236 4.6991  8.362946       6.517157  
1 1 1 -14 14  19 o 105.575 3.0995  6045.64    354.419  5089.63    508.593  6948.19    494.167  96.636  4.8749  113.121 4.0333  -16.48449      6.327079  
1 1 1 -14 14  20 o 178.336 3.6427  17271.29   703.608  18415.53   1000.86  16153.22   989.346  183.919 5.0243  172.200 5.3045  11.71902       7.306273  
1 1 1 -14 14  21 o 158.750 3.4569  13693.05   594.399  13694.77   844.772  13691.36   836.502  158.493 4.9211  158.484 4.8732  0.9536743E-02  6.925656  
1 1 1 -14 14  22 o 146.902 3.3723  11735.20   536.558  11068.85   765.639  12378.29   752.156  142.327 4.9667  150.603 4.6111  -8.276062      6.777194  
1 1 1 -14 14  23 o 64.795  2.5349  2280.39    177.899  2028.46    331.940  2381.92    210.717  60.631  5.1021  66.188  2.9393  -5.556713      5.888239  
1 1 1 -14 14  24 o 59.118  2.5713  1899.61    164.644  2127.79    408.694  1855.41    179.887  61.742  6.1951  58.403  2.8438  3.339176       6.816598  
1 1 1 -14 14  25 o 57.974  4.0946  1849.80    255.456  2032.65    387.315  1709.01    339.858  60.249  6.0157  55.276  5.7613  4.973392       8.329586  
1 1 1 -14 14  26 o 131.106 3.3967  9394.72    482.337  9101.94    698.290  9661.87    667.039  128.351 5.0230  132.428 4.6505  -4.076584      6.845311  
1 1 1 -14 14  27 o 43.883  2.6526  1053.82    125.484  940.544    135.534  1733.85    332.073  41.377  3.0456  55.479  5.6031  -14.10172      6.377306  
1 1 1 -14 14  28 o 52.213  2.4460  1486.82    138.327  1399.81    392.059  1499.20    147.835  48.699  7.6881  52.405  2.6045  -3.706249      8.117295  
1 1 1 -14 14  29 f 74.512  3.7718  3072.75    303.408  3145.49    456.879  3015.37    405.812  74.373  5.7154  73.135  5.1561  1.238297       7.697482  
1 1 1 -14 14  30 f 41.429  1.4954  933.254    67.103   912.641    95.294   953.527    94.507   40.825  2.1629  41.798  2.0876  -0.9731789     3.005970  
1 1 1 -14 14  31 o 46.248  7.6704  1353.45    370.761  1353.89    507.494  1352.94    542.971  43.123  10.869  42.320  11.532  0.8030815      15.84661  
1 1 1 -14 14  32 o 22.824  10.750  -108.6955  686.521  -108.6955  686.521  0.0000     0.0000   22.824  10.750  ?       ?       0.000000       10.74978  
1 1 1 -14 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 15  1  o 208.140 3.9491  23476.33   890.275  22142.18   1257.03  24819.06   1261.06  202.068 5.7435  213.948 5.4420  -11.88081      7.912217  
1 1 1 -14 15  2  f 235.374 4.3782  30026.19   1116.16  30950.57   1575.77  29095.41   1581.22  238.882 6.0903  231.600 6.3035  7.282410       8.765051  
1 1 1 -14 15  3  o 134.695 3.1181  9829.21    454.902  10363.57   636.788  9272.33    650.075  138.283 4.2516  130.792 4.5889  7.490967       6.255754  
1 1 1 -14 15  4  o 289.783 4.5660  45517.47   1433.11  43714.65   1848.52  48233.61   2268.93  283.893 6.0117  298.120 7.0268  -14.22754      9.247557  
1 1 1 -14 15  5  o 422.206 7.0982  96756.50   3245.97  95784.17   3747.36  99678.21   6495.88  419.913 8.2394  427.118 14.042  -7.204620      16.28060  
1 1 1 -14 15  6  o 357.068 7.0824  69212.99   2739.07  66234.41   3353.27  75184.93   4748.13  349.061 8.8695  371.360 11.805  -22.29855      14.76549  
1 1 1 -14 15  7  o 220.883 5.8516  26468.22   1399.93  24859.85   1976.92  28085.97   1982.68  213.856 8.5349  227.355 8.0515  -13.49966      11.73335  
1 1 1 -14 15  8  o 132.642 4.3891  9538.02    630.564  9843.02    889.508  9229.93    894.012  134.681 6.0978  130.409 6.3295  4.271973       8.788930  
1 1 1 -14 15  9  o 187.203 5.2543  19008.99   1065.37  17658.58   1507.43  20356.64   1505.88  180.264 7.7207  193.591 7.1818  -13.32687      10.54459  
1 1 1 -14 15  10 o 104.249 4.0504  5891.52    457.338  6211.10    654.323  5586.28    639.479  106.836 5.6750  101.287 5.8540  5.548569       8.153239  
1 1 1 -14 15  11 o 207.210 3.9963  23277.24   896.897  22579.56   1037.40  25342.29   1784.78  204.039 4.6942  215.896 7.6326  -11.85724      8.960567  
1 1 1 -14 15  12 o 153.508 3.3911  12772.24   563.827  12616.73   656.483  13209.46   1100.77  152.546 3.9733  155.936 6.5175  -3.389832      7.633128  
1 1 1 -14 15  13 o 109.548 3.0784  6503.83    365.257  6452.53    428.971  6639.08    696.523  109.099 3.6303  110.421 5.8447  -1.321930      6.880352  
1 1 1 -14 15  14 o 231.887 4.3004  29165.33   1080.07  28502.60   1247.88  31144.45   2156.45  229.172 5.0273  239.116 8.3264  -9.944351      9.726456  
1 1 1 -14 15  15 o 249.930 4.5514  33891.58   1232.07  34034.79   1423.71  33464.45   2458.75  250.380 5.2499  247.641 9.1669  2.738831       10.56377  
1 1 1 -14 15  16 o 255.219 4.6577  35353.00   1287.52  35961.77   1823.05  34747.19   1818.60  257.131 6.5460  252.735 6.6436  4.396011       9.326677  
1 1 1 -14 15  17 o 182.787 3.7552  18123.03   743.453  16863.65   1059.54  19344.42   1043.45  176.153 5.5534  188.717 5.1049  -12.56383      7.543238  
1 1 1 -14 15  18 o 74.949  3.1682  3046.27    257.184  3892.34    376.133  2303.40    352.449  84.682  4.1009  64.911  5.0530  19.77116       6.507683  
1 1 1 -14 15  19 o 51.088  3.8141  1424.72    209.528  1728.47    310.320  1170.22    284.054  56.137  5.1616  45.994  5.8331  10.14284       7.788908  
1 1 1 -14 15  20 o 94.471  3.0705  4843.03    314.181  4311.08    453.808  5332.71    435.401  88.884  4.7309  99.057  4.0582  -10.17302      6.233012  
1 1 1 -14 15  21 o 78.181  3.1381  3319.26    265.724  3384.57    384.543  3259.58    367.610  78.700  4.5304  77.246  4.4121  1.453468       6.323857  
1 1 1 -14 15  22 o 114.518 3.1797  7128.81    394.392  6159.17    563.761  8058.20    551.935  106.171 4.9025  121.586 4.1912  -15.41476      6.449831  
1 1 1 -14 15  23 o 101.276 2.8612  5575.96    313.857  5155.75    440.250  6010.24    447.560  97.174  4.1829  104.967 3.9367  -7.792847      5.744045  
1 1 1 -14 15  24 o 44.087  2.1121  1055.23    100.855  795.126    374.346  1075.59    104.727  36.736  9.3766  44.507  2.1725  -7.771271      9.625023  
1 1 1 -14 15  25 o 81.036  3.4694  3585.75    304.508  3445.47    454.527  3699.97    410.160  78.817  5.3562  81.925  4.6415  -3.108612      7.087446  
1 1 1 -14 15  26 o 118.597 3.3559  7686.38    431.081  7693.01    628.176  7680.48    592.656  118.041 4.9133  118.070 4.6344  -0.2848816E-01 6.754160  
1 1 1 -14 15  27 o 59.056  4.1578  1930.17    264.255  2105.40    401.503  1796.25    350.995  60.934  6.1685  56.377  5.8325  4.557266       8.489338  
1 1 1 -14 15  28 o 49.371  2.7571  1336.06    146.842  2194.98    396.339  1199.40    158.093  62.108  5.9652  46.684  3.1449  15.42414       6.743451  
1 1 1 -14 15  29 o 27.918  7.6248  471.375    237.067  243.232    369.034  631.678    309.337  23.925  9.5133  31.950  8.7031  -8.024565      12.89371  
1 1 1 -14 15  30 o 53.504  4.8568  1628.55    278.382  1741.33    412.627  1534.34    377.143  53.824  7.2636  50.609  7.0736  3.214417       10.13877  
1 1 1 -14 15  31 o 47.032  6.5518  1349.08    324.692  1331.11    412.307  1378.42    526.829  44.795  8.8120  43.062  11.193  1.733349       14.24516  
1 1 1 -14 15  32 o 21.649  10.606  -672.9344  839.798  -672.9344  839.798  0.0000     0.0000   21.649  10.606  ?       ?       0.000000       10.60553  
1 1 1 -14 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 16  1  o 561.163 9.4398  171176.70  5737.48  176968.80  8113.85  165384.09  8114.21  569.576 13.152  550.477 13.609  19.09882       18.92615  
1 1 1 -14 16  2  o 604.648 9.9710  198822.41  6529.98  187784.59  9233.64  209865.50  9235.92  586.246 14.542  620.045 13.753  -33.79938      20.01510  
1 1 1 -14 16  3  o 244.935 4.4329  32516.74   1176.01  30650.65   1660.20  34396.06   1666.08  237.691 6.4488  251.818 6.1086  -14.12715      8.882650  
1 1 1 -14 16  4  f 155.850 3.3120  13160.22   559.068  13219.15   644.075  12980.13   1125.94  156.186 3.8074  154.662 6.7214  1.523636       7.724848  
1 1 1 -14 16  5  o 147.412 3.1972  11773.64   510.469  11882.76   588.384  11441.55   1026.48  148.082 3.6685  145.209 6.5266  2.873459       7.486947  
1 1 1 -14 16  6  o 95.806  2.7996  4972.66    290.510  4885.13    331.893  5259.46    600.776  94.953  3.2272  98.308  5.6663  -3.355591      6.520816  
1 1 1 -14 16  7  o 224.258 4.4311  27263.40   1076.29  27001.66   1167.38  28747.03   2779.30  223.157 4.8298  229.650 11.174  -6.493195      12.17287  
1 1 1 -14 16  8  o 187.791 5.2723  19127.27   1072.36  19754.14   1514.85  18497.57   1518.26  190.707 7.3339  184.522 7.5967  6.185028       10.55919  
1 1 1 -14 16  9  o 73.564  4.1485  2942.95    329.194  2756.02    490.597  3096.05    443.985  70.961  6.4537  75.346  5.4780  -4.385605      8.465141  
1 1 1 -14 16  10 o 192.586 5.3335  20122.23   1112.52  21102.96   1576.30  19148.80   1570.41  197.060 7.3853  187.684 7.7253  9.376205       10.68754  
1 1 1 -14 16  11 o 451.023 10.822  111048.40  5286.50  109536.20  7477.02  112559.90  7475.45  446.088 15.475  452.304 15.259  -6.216461      21.73321  
1 1 1 -14 16  12 o 197.269 3.9028  21098.29   833.883  20654.93   966.104  22393.65   1651.37  195.145 4.5708  202.927 7.5134  -7.781784      8.794516  
1 1 1 -14 16  13 o 122.340 3.1655  8111.85    419.454  7870.00    491.905  8756.31    802.966  120.483 3.7695  126.987 5.8381  -6.504189      6.949261  
1 1 1 -14 16  14 o 220.572 4.2152  26387.20   1007.03  25770.78   1164.61  28213.85   2004.80  217.920 4.9342  227.614 8.1321  -9.694290      9.511939  
1 1 1 -14 16  15 o 155.091 3.4382  13040.25   577.550  12246.84   669.901  15337.55   1139.90  150.264 4.1161  167.987 6.2650  -17.72342      7.496180  
1 1 1 -14 16  16 o 153.200 3.4087  12725.62   565.610  12220.46   655.435  14199.09   1119.39  150.093 4.0318  161.583 6.3961  -11.49036      7.560808  
1 1 1 -14 16  17 o 154.536 3.3258  12949.55   556.666  14030.98   793.547  11901.80   781.091  160.769 4.5572  148.044 4.8712  12.72510       6.670626  
1 1 1 -14 16  18 o 329.203 5.7326  58956.96   2044.03  60419.27   2893.28  57499.87   2888.12  332.538 8.0330  324.337 8.2215  8.201416       11.49443  
1 1 1 -14 16  19 o 240.929 4.4731  31542.11   1167.26  31416.27   1654.21  31666.90   1647.31  240.032 6.3629  241.001 6.3108  -0.9689331     8.961731  
1 1 1 -14 16  20 o 139.218 3.2703  10521.00   493.124  10154.24   704.236  10873.81   690.725  136.590 4.7602  141.383 4.5106  -4.792801      6.557874  
1 1 1 -14 16  21 o 103.036 3.0851  5765.18    344.294  5469.26    490.387  6052.85    483.497  100.200 4.5186  105.448 4.2334  -5.248161      6.191852  
1 1 1 -14 16  22 o 34.295  5.2066  657.643    187.323  650.543    261.272  665.154    268.714  33.683  7.3668  34.045  7.4906  -0.3624916     10.50613  
1 1 1 -14 16  23 o 59.687  2.4066  1934.61    155.579  1738.40    307.065  2002.38    180.456  56.086  5.1109  60.698  2.7449  -4.612255      5.801403  
1 1 1 -14 16  24 o 41.237  2.3635  926.818    105.121  1238.16    379.812  900.991    109.394  46.443  7.8290  40.641  2.4973  5.802059       8.217617  
1 1 1 -14 16  25 o 78.769  2.9331  3380.19    250.234  3341.22    320.491  3441.04    400.501  78.159  3.7859  78.973  4.7035  -0.8142776     6.037883  
1 1 1 -14 16  26 o 18.668  7.3194  125.681    215.622  193.053    337.081  79.020     280.523  22.999  9.1088  19.560  8.1004  3.439001       12.18965  
1 1 1 -14 16  27 o 69.530  3.7977  2663.59    284.913  2436.43    430.051  2841.30    380.364  65.595  6.1239  71.400  4.9490  -5.805023      7.873724  
1 1 1 -14 16  28 o 85.445  3.0665  3998.73    283.794  4053.17    361.769  3911.61    457.602  85.730  3.8961  83.555  5.0805  2.174347       6.402455  
1 1 1 -14 16  29 o 66.770  3.9906  2476.48    287.277  2816.27    438.074  2220.10    380.521  70.264  5.8084  62.401  5.6928  7.862705       8.132980  
1 1 1 -14 16  30 o 33.069  7.0595  666.891    245.159  754.870    384.369  606.552    318.313  33.758  9.8816  30.709  8.9934  3.048283       13.36138  
1 1 1 -14 16  31 o 19.413  8.2313  114.182    300.247  78.037     392.646  165.079    465.923  20.669  9.0849  22.867  9.9774  -2.198175      13.49385  
1 1 1 -14 16  32 o 37.838  13.846  1395.88    740.624  1395.88    740.624  0.0000     0.0000   37.838  13.846  ?       ?       0.000000       13.84611  
1 1 1 -14 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 17  1  o 126.437 2.9976  8660.74    410.501  8476.43    576.312  8850.55    584.854  125.059 4.2547  127.790 4.2255  -2.730721      5.996469  
1 1 1 -14 17  2  o 166.233 3.3988  14972.51   611.952  14621.92   861.624  15329.37   869.290  164.233 4.8438  168.162 4.7727  -3.928619      6.800102  
1 1 1 -14 17  3  o 166.602 3.1866  15038.27   575.011  16204.38   759.764  13474.78   879.743  172.917 4.0567  157.647 5.1523  15.27000       6.557637  
1 1 1 -14 17  4  o 267.136 4.7952  38686.64   1387.42  38523.11   1601.04  39179.71   2780.09  266.524 5.5462  268.415 9.5627  -1.891327      11.05469  
1 1 1 -14 17  5  o 174.639 3.5550  16526.60   672.445  16704.57   775.674  15988.27   1349.06  175.560 4.0793  171.607 7.2581  3.952469       8.325922  
1 1 1 -14 17  6  o 313.151 5.8353  53197.35   1979.19  53541.94   2126.57  50966.68   5410.57  314.124 6.2504  304.282 16.479  9.842529       17.62413  
1 1 1 -14 17  7  o 82.632  2.6515  3699.08    237.301  3403.79    270.381  4689.19    495.109  79.259  3.1496  92.862  4.9404  -13.60279      5.858951  
1 1 1 -14 17  8  o 147.908 3.2325  11854.42   517.844  11664.29   597.232  12430.37   1039.46  146.702 3.7587  151.333 6.3417  -4.630661      7.371896  
1 1 1 -14 17  9  o 217.712 5.8249  25720.70   1373.54  25475.58   1942.27  25965.93   1942.69  216.449 8.2848  218.531 8.2077  -2.081436      11.66208  
1 1 1 -14 17  10 o 37.262  5.5340  769.782    216.560  386.931    318.730  1098.09    295.152  27.450  9.1494  44.536  6.2942  -17.08532      11.10534  
1 1 1 -14 17  11 o 212.130 5.7296  24424.73   1316.42  24396.10   1865.12  24453.15   1858.28  211.762 8.1318  212.014 8.0924  -0.2521210     11.47230  
1 1 1 -14 17  12 o 85.870  4.0440  3998.06    376.113  4262.44    550.429  3766.51    515.132  88.420  5.7793  83.097  5.7591  5.323502       8.158877  
1 1 1 -14 17  13 o 168.255 3.4889  15345.92   635.802  15820.58   738.886  13991.87   1247.96  170.811 3.9938  160.410 7.1829  10.40152       8.218574  
1 1 1 -14 17  14 o 188.610 3.7634  19288.25   768.801  19365.33   892.254  19066.07   1514.81  188.947 4.3599  187.188 7.4715  1.758957       8.650598  
1 1 1 -14 17  15 f 153.966 3.4113  12851.73   568.876  12877.35   663.242  12780.42   1106.51  154.090 3.9740  153.305 6.6639  0.7845917      7.758874  
1 1 1 -14 17  16 o 279.732 5.0560  42489.95   1531.85  41408.98   1770.36  45710.59   3055.80  276.014 5.9219  289.090 9.7594  -13.07611      11.41552  
1 1 1 -14 17  17 o 87.935  3.0636  4192.24    291.790  4432.00    422.425  3973.46    403.530  90.366  4.3159  85.450  4.3747  4.916054       6.145369  
1 1 1 -14 17  18 o 54.787  3.7228  1636.17    219.598  1704.78    323.503  1577.54    299.054  55.730  5.4283  53.619  5.2154  2.111229       7.527754  
1 1 1 -14 17  19 o 76.739  3.1716  3194.68    263.611  3112.96    384.522  3267.15    362.092  75.524  4.7245  77.425  4.3353  -1.900871      6.412107  
1 1 1 -14 17  20 o 60.178  3.5185  1973.36    228.336  1881.32    327.268  2060.67    318.733  58.531  5.2170  61.335  4.8371  -2.803562      7.114419  
1 1 1 -14 17  21 o 57.312  3.4002  1791.14    210.123  1943.34    302.666  1649.53    291.943  59.522  4.7339  54.768  4.9758  4.753208       6.867957  
1 1 1 -14 17  22 o 61.911  2.5952  2081.22    174.021  1859.11    206.445  2626.43    323.455  58.378  3.2783  69.254  4.3340  -10.87653      5.434219  
1 1 1 -14 17  23 o 165.389 3.7197  14912.42   666.317  13535.31   901.852  16567.75   988.761  157.030 5.3025  173.754 5.2540  -16.72346      7.464631  
1 1 1 -14 17  24 o 121.474 3.2889  8041.06    432.715  8211.64    633.449  7891.81    592.504  122.335 4.7807  119.999 4.5587  2.335190       6.605833  
1 1 1 -14 17  25 o 27.843  0.8750  420.046    26.387   -176.7171  347.359  423.509    26.463   18.007  8.1791  27.957  0.8739  -9.950724      8.225682  
1 1 1 -14 17  26 o 61.236  4.0092  2066.35    264.444  1978.86    402.857  2132.60    350.539  59.142  6.3906  61.827  5.2854  -2.685131      8.293127  
1 1 1 -14 17  27 o 59.469  4.1447  1957.66    265.297  1839.93    406.143  2045.28    350.376  56.644  6.7531  60.337  5.4192  -3.693794      8.658663  
1 1 1 -14 17  28 o 82.294  3.6641  3727.66    326.596  3530.93    477.694  3900.33    447.532  79.063  5.6148  83.480  4.9721  -4.416763      7.499897  
1 1 1 -14 17  29 o 65.277  2.7704  2332.82    195.869  2664.30    455.582  2257.66    216.943  68.033  6.2527  64.123  3.1237  3.910347       6.989492  
1 1 1 -14 17  30 f 24.834  7.9655  377.041    242.711  428.237    396.402  346.338    306.982  26.909  10.077  24.511  8.9226  2.398104       13.45984  
1 1 1 -14 17  31 o 11.387  2.5893  74.252     31.213   73.304     31.284   281.784    462.885  11.312  2.6069  24.245  10.247  -12.93317      10.57323  
1 1 1 -14 17  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 18  1  o 195.066 3.7279  20619.11   787.611  20569.29   1111.23  20669.39   1116.49  194.770 5.2676  195.242 5.2797  -0.4728088     7.458077  
1 1 1 -14 18  2  o 130.538 3.0872  9232.09    436.483  9458.05    610.857  8996.37    623.910  132.100 4.2694  128.831 4.4713  3.269516       6.182233  
1 1 1 -14 18  3  o 72.112  2.6861  2817.07    209.794  2779.99    239.426  2939.68    435.360  71.632  3.0860  73.420  5.5151  -1.787376      6.319760  
1 1 1 -14 18  4  f 285.065 4.9970  44059.29   1542.84  42134.65   1780.19  49867.84   3092.62  278.706 5.8973  302.822 9.4291  -24.11609      11.12140  
1 1 1 -14 18  5  o 45.271  3.1137  1115.66    151.747  1179.64    171.337  882.873    326.818  46.533  3.4236  39.622  7.8927  6.910572       8.603267  
1 1 1 -14 18  6  o 368.931 6.8241  73886.77   2726.84  73113.08   2921.51  79118.59   7597.15  366.925 7.3512  378.913 18.511  -11.98810      19.91772  
1 1 1 -14 18  7  o 238.771 4.3367  30906.04   1121.52  30309.74   1293.75  32709.06   2249.67  236.414 5.0525  245.289 8.4678  -8.875076      9.860610  
1 1 1 -14 18  8  o 155.288 3.2854  13067.29   552.591  12763.27   636.795  13994.26   1111.93  153.454 3.8313  160.565 6.3938  -7.110367      7.453817  
1 1 1 -14 18  9  o 150.889 3.8283  12340.67   625.648  11886.31   767.320  13241.88   1080.67  148.048 4.7852  156.177 6.3886  -8.129364      7.982030  
1 1 1 -14 18  10 o 143.419 4.5478  11154.29   706.450  10092.35   1001.53  12205.84   996.625  136.307 6.7839  149.943 6.1367  -13.63559      9.147672  
1 1 1 -14 18  11 o 174.002 5.0627  16425.79   954.126  15077.78   1352.71  17760.43   1345.99  166.531 7.4996  180.796 6.8735  -14.26527      10.17302  
1 1 1 -14 18  12 o 388.674 9.4240  82355.77   3967.27  83197.73   5612.58  81515.01   5608.57  389.377 13.308  385.370 13.437  4.006927       18.91202  
1 1 1 -14 18  13 o 81.072  4.1003  3573.35    358.873  3845.99    531.437  3344.80    486.571  83.952  5.8817  78.273  5.7803  5.678764       8.246590  
1 1 1 -14 18  14 o 123.802 3.1547  8307.45    423.021  8490.57    497.045  7826.32    805.674  125.140 3.6671  119.855 6.2278  5.285515       7.227246  
1 1 1 -14 18  15 o 189.745 3.7563  19523.48   771.965  19958.42   894.793  18257.42   1526.63  191.807 4.3071  183.102 7.6979  8.705383       8.820948  
1 1 1 -14 18  16 o 281.646 5.4606  43095.04   1665.75  43668.85   1976.72  41689.38   3093.86  283.339 6.4412  275.882 10.354  7.457520       12.19404  
1 1 1 -14 18  17 o 319.848 6.4895  55680.41   2248.14  56661.86   2755.73  53727.47   3887.31  322.268 7.8949  312.528 11.484  9.739563       13.93592  
1 1 1 -14 18  18 o 339.591 5.9455  62768.37   2186.84  61649.40   3096.53  63881.76   3088.81  335.663 8.5173  341.757 8.3446  -6.093689      11.92375  
1 1 1 -14 18  19 o 142.196 3.3689  10972.27   518.858  11355.72   772.857  10657.63   700.081  144.492 4.9384  140.018 4.6163  4.473312       6.760034  
1 1 1 -14 18  20 o 24.770  6.2858  348.240    168.919  329.093    249.232  364.509    229.733  24.863  8.0813  25.628  7.6747  -0.7651691     11.14490  
1 1 1 -14 18  21 f 40.705  4.1635  911.324    180.975  818.644    260.820  997.375    251.319  38.112  6.5547  42.352  5.6173  -4.239838      8.632451  
1 1 1 -14 18  22 o 60.281  3.4878  1983.97    226.749  1898.05    326.012  2064.49    315.585  58.666  5.1840  61.280  4.7929  -2.614021      7.060148  
1 1 1 -14 18  23 o 40.429  2.0519  889.282    89.555   811.028    264.599  899.406    95.172   37.753  6.7171  40.648  2.1696  -2.895187      7.058753  
1 1 1 -14 18  24 o 145.737 3.4772  11583.52   548.865  11907.46   785.565  11274.55   767.185  147.240 4.9259  143.266 4.9441  3.973938       6.979137  
1 1 1 -14 18  25 o 62.327  4.0253  2136.37    270.281  2024.12    425.614  2212.23    349.887  59.865  6.6778  63.123  5.1628  -3.258007      8.440830  
1 1 1 -14 18  26 o 26.097  6.9217  397.324    198.852  538.742    361.950  336.187    237.985  30.396  9.7250  24.467  7.8918  5.929035       12.52422  
1 1 1 -14 18  27 o 84.698  3.5634  3935.82    326.895  3880.73    503.523  3975.96    429.784  83.136  5.6250  84.601  4.7090  -1.465134      7.335913  
1 1 1 -14 18  28 o 15.649  6.9541  -59.6736   236.170  217.917    368.086  -253.9123  307.904  23.637  9.4671  15.653  7.3170  7.984183       11.96516  
1 1 1 -14 18  29 o 33.645  1.8707  618.000    67.901   621.459    69.607   549.975    308.651  33.733  1.9130  29.811  8.8887  3.921616       9.092198  
1 1 1 -14 18  30 o 36.027  6.5861  780.874    247.527  933.624    391.476  679.127    319.502  37.577  9.5874  32.392  8.8538  5.184570       13.05025  
1 1 1 -14 18  31 o 18.449  1.5698  186.876    31.070   187.590    31.142   32.816     457.511  18.485  1.5704  21.220  9.5362  -2.735424      9.664604  
1 1 1 -14 18  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 19  1  o 208.535 4.2152  23569.56   952.061  23237.63   1267.01  24000.06   1442.91  206.994 5.6514  210.323 6.3341  -3.328873      8.488708  
1 1 1 -14 19  2  o 70.971  2.3725  2728.41    182.373  2829.82    234.832  2574.31    289.488  72.272  3.0000  68.812  3.9002  3.460083       4.920515  
1 1 1 -14 19  3  o 234.637 4.3709  29841.49   1110.81  30634.96   1281.53  27444.19   2227.53  237.704 4.9776  224.675 9.1537  13.02885       10.41957  
1 1 1 -14 19  4  o 163.229 3.3635  14436.85   594.647  14580.24   685.237  13999.55   1196.67  164.024 3.8571  160.599 6.8796  3.424759       7.887076  
1 1 1 -14 19  5  o 444.452 7.4976  107277.50  3609.23  107667.90  4166.65  106104.00  7223.32  445.054 8.6438  440.115 15.153  4.939606       17.44507  
1 1 1 -14 19  6  o 279.737 4.9731  42432.79   1506.77  42774.77   1738.53  41400.48   3020.57  280.804 5.7162  275.756 10.113  5.047943       11.61698  
1 1 1 -14 19  7  o 328.266 5.6975  58460.52   2025.71  59341.38   2338.35  55811.21   4055.29  330.638 6.5296  319.830 11.707  10.80801       13.40451  
1 1 1 -14 19  8  o 219.815 4.3814  26196.00   1043.13  25914.37   1132.64  27769.63   2677.33  218.607 4.7836  225.666 10.954  -7.059433      11.95277  
1 1 1 -14 19  9  o 343.569 7.7607  64163.43   2887.94  62868.02   3197.15  69905.41   6731.15  339.924 8.6838  355.934 17.460  -16.01001      19.50045  
1 1 1 -14 19  10 o 139.769 3.6712  10588.88   555.756  9657.61    681.493  12437.82   960.252  133.442 4.7152  151.376 5.8568  -17.93349      7.518962  
1 1 1 -14 19  11 o 273.787 6.9659  40734.47   2065.67  40095.04   2922.79  41372.60   2919.82  271.144 9.9524  275.462 9.7864  -4.317810      13.95795  
1 1 1 -14 19  12 o 346.502 8.5286  65379.54   3200.76  62995.14   4528.10  67760.69   4525.02  339.113 12.328  351.851 11.874  -12.73813      17.11649  
1 1 1 -14 19  13 o 83.855  4.0886  3813.18    371.341  4065.17    546.887  3597.62    505.825  86.320  5.8845  81.191  5.7900  5.129295       8.255422  
1 1 1 -14 19  14 o 109.615 4.2606  6517.24    505.838  6995.36    756.647  6130.88    680.175  113.299 6.1894  106.073 5.9443  7.226273       8.581534  
1 1 1 -14 19  15 o 122.413 4.4256  8130.27    586.768  7626.24    842.491  8605.06    817.696  118.240 6.6050  125.838 5.9994  -7.598076      8.922935  
1 1 1 -14 19  16 o 37.928  5.0963  795.164    204.057  881.516    250.400  624.435    352.087  39.830  5.9897  33.342  9.3639  6.487900       11.11576  
1 1 1 -14 19  17 o 134.897 3.2834  9867.63    479.723  10326.27   693.199  9446.10    664.567  137.906 4.6409  131.897 4.6519  6.008987       6.571059  
1 1 1 -14 19  18 o 143.995 3.3413  11247.26   521.112  12292.74   763.800  10336.81   712.771  150.420 4.6882  137.927 4.7712  12.49292       6.689052  
1 1 1 -14 19  19 o 214.610 4.0867  25019.03   949.925  25533.93   1351.95  24516.96   1335.00  216.479 5.7660  212.114 5.8109  4.364822       8.186147  
1 1 1 -14 19  20 f 77.783  3.0754  3283.93    259.096  2873.78    372.815  3667.08    360.337  72.492  4.7749  82.127  4.0509  -9.634026      6.261805  
1 1 1 -14 19  21 o 69.334  3.1134  2611.29    233.803  2167.49    336.988  3023.20    324.651  62.825  4.9936  74.416  4.0431  -11.59187      6.425134  
1 1 1 -14 19  22 o 66.990  3.3988  2447.97    245.803  1681.78    341.588  3270.76    353.980  55.054  5.8166  77.317  4.2432  -22.26300      7.199809  
1 1 1 -14 19  23 o 52.604  3.7884  1516.95    214.402  1301.80    290.208  1775.50    318.132  48.333  5.6503  56.639  5.2454  -8.306194      7.709701  
1 1 1 -14 19  24 o 69.204  3.8374  2624.14    286.509  2994.51    422.175  2307.93    390.094  73.557  5.3353  64.441  5.6459  9.116051       7.768020  
1 1 1 -14 19  25 o 81.775  3.4546  3652.24    305.975  3409.72    459.472  3845.49    410.146  78.346  5.4486  83.533  4.5504  -5.187447      7.098817  
1 1 1 -14 19  26 o 39.752  5.1387  888.532    216.066  1430.94    383.288  635.878    261.592  49.817  7.3221  32.874  7.5112  16.94286       10.48962  
1 1 1 -14 19  27 o 49.092  2.4029  1312.98    127.763  1279.56    138.738  1499.56    327.761  48.359  2.6590  51.358  6.0057  -2.998814      6.567966  
1 1 1 -14 19  28 o 36.181  6.5994  766.911    249.088  845.778    374.548  704.370    333.535  36.879  9.3607  33.795  8.9648  3.084091       12.96109  
1 1 1 -14 19  29 o 4.1684  2.0393  -59.2382   30.744   -54.6802   30.925   -445.8179  284.802  4.2908  2.0873  13.088  6.3592  -8.796921      6.693013  
1 1 1 -14 19  30 o 37.390  6.3818  836.400    249.174  951.240    393.801  759.725    321.779  37.862  9.5918  34.327  8.6563  3.534733       12.92025  
1 1 1 -14 19  31 o 45.420  2.5547  1140.58    125.165  1111.54    129.124  1592.54    509.422  44.792  2.6737  47.397  10.224  -2.605095      10.56748  
1 1 1 -14 19  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 20  1  o 148.903 2.8910  12012.09   466.246  11895.73   598.785  12191.28   743.077  148.161 3.7314  149.965 4.5748  -1.804428      5.903564  
1 1 1 -14 20  2  o 442.055 8.0293  106149.30  3844.35  106274.70  4565.79  105843.70  7125.85  442.039 9.5364  439.766 14.960  2.273712       17.74143  
1 1 1 -14 20  3  o 519.367 8.7854  146621.80  4942.04  146164.30  5705.56  147996.20  9889.39  518.231 10.165  518.912 17.596  -0.6811523     20.32074  
1 1 1 -14 20  4  o 254.674 4.6338  35161.86   1278.17  35273.00   1474.75  34826.32   2562.40  255.032 5.3389  253.045 9.3493  1.987595       10.76632  
1 1 1 -14 20  5  f 127.654 2.9452  8828.75    407.206  8333.00    467.684  10382.33   827.925  124.007 3.4821  138.353 5.5250  -14.34602      6.530723  
1 1 1 -14 20  6  o 69.078  2.7793  2585.25    207.946  2531.54    236.147  2770.69    438.800  68.353  3.1898  71.236  5.7358  -2.883377      6.563068  
1 1 1 -14 20  7  o 112.694 2.8951  6880.85    353.371  6854.38    405.569  6964.28    720.053  112.468 3.3294  113.139 5.8964  -0.6704483     6.771460  
1 1 1 -14 20  8  o 225.483 4.2187  27562.55   1030.29  27441.87   1188.45  27927.63   2067.02  224.949 4.8778  226.619 8.4213  -1.669693      9.731960  
1 1 1 -14 20  9  o 130.935 3.6045  9292.03    511.176  9251.42    627.536  9372.11    881.255  130.621 4.4356  131.393 6.1924  -0.7717438     7.617123  
1 1 1 -14 20  10 o 237.707 5.0715  30653.28   1305.73  29410.08   1600.00  33132.04   2259.28  232.723 6.3476  246.751 8.4536  -14.02878      10.57143  
1 1 1 -14 20  11 o 137.303 3.2601  10217.25   484.815  9844.04    564.259  11269.79   947.595  134.751 3.8661  144.065 6.0729  -9.314331      7.199061  
1 1 1 -14 20  12 o 164.037 3.9948  14589.91   709.743  14267.84   871.592  15223.80   1222.78  162.162 4.9624  167.373 6.7452  -5.210861      8.373938  
1 1 1 -14 20  13 o 135.890 4.4777  10016.72   659.041  9998.19    943.036  10034.42   921.391  135.647 6.4187  135.904 6.2595  -0.2567139     8.965594  
1 1 1 -14 20  14 f 132.021 4.4384  9455.28    634.659  9508.12    912.761  9405.82    883.062  132.269 6.3713  131.568 6.1968  0.7008972      8.887876  
1 1 1 -14 20  15 o 150.758 4.7489  12335.28   775.422  11931.08   1108.60  12722.44   1085.00  148.086 6.9118  152.955 6.5493  -4.868317      9.521922  
1 1 1 -14 20  16 o 200.249 5.5910  21790.49   1212.64  20885.17   1722.70  22679.64   1707.25  195.674 8.1284  203.978 7.7276  -8.303528      11.21550  
1 1 1 -14 20  17 o 225.558 4.3094  27616.23   1052.79  27924.31   1220.01  26717.78   2083.42  226.726 4.9681  221.070 8.7012  5.655487       10.01960  
1 1 1 -14 20  18 o 90.875  3.2627  4479.47    321.144  3684.11    492.914  5066.09    423.320  82.101  5.5761  96.601  4.0459  -14.50018      6.889323  
1 1 1 -14 20  19 o 171.262 3.5696  15922.43   662.137  17587.51   958.895  14404.91   915.424  179.800 4.9239  162.678 5.1954  17.12137       7.158050  
1 1 1 -14 20  20 o 100.411 2.9751  5472.08    323.555  5399.68    456.851  5544.95    458.305  99.632  4.2335  100.968 4.1908  -1.335854      5.957000  
1 1 1 -14 20  21 o 61.688  3.2717  2073.73    217.817  2382.30    315.865  1793.94    300.768  65.967  4.4468  57.127  4.9086  8.840519       6.623338  
1 1 1 -14 20  22 o 46.275  4.2463  1177.99    210.453  881.207    287.720  1519.47    308.631  39.383  7.0016  52.358  5.5258  -12.97450      8.919515  
1 1 1 -14 20  23 o 33.177  1.9480  599.286    69.694   588.338    71.850   773.565    286.674  32.864  2.0284  36.657  7.4737  -3.793358      7.744112  
1 1 1 -14 20  24 o 184.129 3.8466  18524.79   767.121  18098.81   1097.05  18932.36   1073.09  181.107 5.5927  185.380 5.3445  -4.273071      7.735746  
1 1 1 -14 20  25 f 62.869  3.9138  2172.17    265.181  2067.78    404.865  2250.60    350.934  60.649  6.2530  63.669  5.1325  -3.020260      8.089714  
1 1 1 -14 20  26 o 40.378  5.4703  920.945    233.076  890.797    363.708  941.953    303.609  38.559  8.8906  40.266  7.2272  -1.706387      11.45753  
1 1 1 -14 20  27 o 75.738  2.9031  3133.95    238.147  3170.28    452.569  3120.03    280.056  75.094  5.6047  75.439  3.4275  -0.3446579     6.569629  
1 1 1 -14 20  28 o 68.794  3.9907  2622.35    296.074  2781.82    440.030  2490.44    400.220  69.967  5.8606  66.301  5.6264  3.666031       8.124187  
1 1 1 -14 20  29 o 33.929  6.7546  685.414    239.500  914.593    379.329  533.494    308.843  38.032  9.2887  29.339  8.9241  8.693279       12.88095  
1 1 1 -14 20  30 o 12.026  5.7942  -300.6817  224.169  5.5208     361.556  -491.8937  285.713  19.618  8.6664  12.610  6.1792  7.008565       10.64379  
1 1 1 -14 20  31 o 22.277  8.7169  275.360    305.348  475.401    408.785  22.866     459.264  26.682  10.179  21.095  9.5101  5.587555       13.93027  
1 1 1 -14 20  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 21  1  o 403.175 6.9766  88237.91   3046.54  87402.57   3516.48  90751.73   6100.17  401.097 8.0945  407.470 13.822  -6.372162      16.01789  
1 1 1 -14 21  2  o 273.721 4.8520  40621.53   1438.47  40413.72   1659.55  41249.34   2884.52  272.967 5.6132  275.359 9.6717  -2.391663      11.18258  
1 1 1 -14 21  3  o 235.094 4.3205  29958.84   1100.15  29185.34   1268.72  32303.14   2208.74  232.000 5.0490  243.811 8.3642  -11.81010      9.769952  
1 1 1 -14 21  4  o 339.998 5.9609  62715.27   2195.13  65157.94   2533.86  55367.43   4394.71  346.468 6.7523  318.442 12.742  28.02625       14.42032  
1 1 1 -14 21  5  o 389.328 7.1832  82307.63   3029.02  80882.02   3242.87  92059.85   8481.63  385.855 7.7595  408.401 19.174  -22.54553      20.68501  
1 1 1 -14 21  6  o 270.369 4.8064  39636.57   1407.50  39417.97   1624.10  40296.11   2820.99  269.565 5.5626  272.105 9.5718  -2.540253      11.07079  
1 1 1 -14 21  7  o 146.187 3.1978  11580.04   506.333  11426.04   582.945  12053.16   1021.76  145.197 3.7068  149.018 6.3305  -3.820145      7.335928  
1 1 1 -14 21  8  o 311.130 5.4495  52516.80   1836.40  52693.16   2119.74  51986.25   3676.70  311.561 6.2816  308.712 10.996  2.848785       12.66372  
1 1 1 -14 21  9  o 60.046  3.0592  1958.86    198.301  1920.66    228.122  2077.00    401.156  59.422  3.5608  61.556  6.0971  -2.133694      7.060730  
1 1 1 -14 21  10 o 116.600 3.4769  7368.79    439.095  7052.78    540.475  7982.31    753.079  114.045 4.3755  121.271 5.7334  -7.226051      7.212287  
1 1 1 -14 21  11 o 269.629 4.8605  39438.57   1419.45  38978.73   1639.39  40815.71   2837.06  267.972 5.6484  273.620 9.5730  -5.648132      11.11519  
1 1 1 -14 21  12 o 361.471 6.2249  70972.07   2437.14  68577.68   2814.24  78153.56   4873.84  355.119 7.3167  377.820 11.910  -22.70117      13.97803  
1 1 1 -14 21  13 o 298.540 5.3042  48378.65   1715.10  47904.80   1982.28  49789.64   3420.66  296.954 6.1632  301.852 10.463  -4.897827      12.14306  
1 1 1 -14 21  14 o 86.871  4.1721  4093.14    392.553  3896.33    579.613  4259.92    533.550  84.431  6.3854  88.392  5.6020  -3.961227      8.494479  
1 1 1 -14 21  15 o 111.286 4.3569  6719.52    525.154  5554.57    762.851  7768.93    724.029  100.788 7.0322  119.589 5.5898  -18.80119      8.983200  
1 1 1 -14 21  16 o 127.568 4.4998  8832.76    621.731  8477.96    893.614  9165.65    865.576  124.641 6.6434  129.823 6.1558  -5.182442      9.056942  
1 1 1 -14 21  17 o 267.842 6.8996  39088.53   2001.58  38641.61   2837.37  39531.25   2824.01  265.463 9.8683  268.555 9.7087  -3.091766      13.84350  
1 1 1 -14 21  18 o 122.494 4.3873  8150.06    582.077  0.0000     0.0000   8150.06    582.077  ?       ?       122.494 4.3873  0.000000       4.387271  
1 1 1 -14 21  19 o 245.591 4.8953  32816.49   1302.15  32169.28   2001.96  33291.11   1714.35  242.353 7.6267  246.950 6.4094  -4.597061      9.962300  
1 1 1 -14 21  20 o 58.889  3.6838  1891.88    233.783  1921.55    382.985  1874.26    295.152  58.984  6.0820  58.479  4.6996  0.5054588      7.686179  
1 1 1 -14 21  21 o 107.247 3.1155  6249.13    361.893  6365.89    536.273  6151.49    490.388  108.041 4.5828  106.256 4.2610  1.784660       6.257651  
1 1 1 -14 21  22 o 82.942  2.4604  3735.17    221.028  3469.36    390.299  3860.66    268.174  79.564  4.5480  84.278  2.9379  -4.714455      5.414355  
1 1 1 -14 21  23 f 62.916  3.2972  2161.42    223.905  1738.85    414.210  2335.87    266.139  55.557  7.0415  65.331  3.7773  -9.773727      7.990689  
1 1 1 -14 21  24 o 108.310 3.0422  6389.26    356.879  6032.70    655.151  6539.70    425.558  104.308 5.8223  109.456 3.5896  -5.148712      6.839899  
1 1 1 -14 21  25 o 67.656  3.5840  2509.00    261.694  2269.25    527.498  2587.26    301.399  62.880  7.9211  68.587  4.0755  -5.706898      8.908036  
1 1 1 -14 21  26 o 70.308  2.7450  2694.80    209.033  2424.07    288.372  2994.55    303.437  66.312  4.0343  73.795  3.8094  -7.483177      5.548582  
1 1 1 -14 21  27 o 36.648  5.5229  765.819    212.415  1132.86    449.293  660.163    241.057  42.835  9.8850  33.539  6.8669  9.295712       12.03607  
1 1 1 -14 21  28 o 20.968  0.9973  238.394    22.649   113.663    32.923   350.458    31.206   14.281  2.1991  25.418  1.1335  -11.13754      2.474008  
1 1 1 -14 21  29 f 28.595  1.3872  444.119    42.964   688.886    446.289  441.829    43.165   32.685  10.823  28.521  1.3973  4.164646       10.91311  
1 1 1 -14 21  30 o 19.716  7.6370  184.344    232.558  -282.1042  376.133  473.004    295.892  16.895  7.9573  27.194  8.8027  -10.29836      11.86616  
1 1 1 -14 21  31 o 24.443  9.7918  348.405    393.853  348.405    393.853  0.0000     0.0000   24.443  9.7918  ?       ?       0.000000       9.791793  
1 1 1 -14 21  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 22  1  o 556.987 9.3560  168743.41  5644.23  177051.09  6516.63  143796.59  11292.45 570.195 10.552  509.990 20.444  60.20462       23.00609  
1 1 1 -14 22  2  o 377.948 7.0074  77548.08   2868.54  76102.63   3072.00  87388.77   8015.52  374.332 7.5769  398.278 18.581  -23.94604      20.06675  
1 1 1 -14 22  3  o 86.567  2.6790  4059.79    251.186  4084.77    286.258  3976.21    523.730  86.828  3.0439  85.428  5.6929  1.400444       6.455536  
1 1 1 -14 22  4  o 192.431 3.7483  20068.10   781.229  19634.71   900.284  21389.36   1571.93  190.317 4.3675  198.462 7.3128  -8.145370      8.517763  
1 1 1 -14 22  5  o 348.672 6.4433  65983.15   2433.31  66623.80   2609.26  61707.62   6740.62  350.307 6.8770  333.967 18.710  16.33981       19.93395  
1 1 1 -14 22  6  o 98.403  2.7898  5246.19    297.339  5293.39    341.518  5098.33    604.445  98.838  3.1902  96.765  5.7939  2.073273       6.614126  
1 1 1 -14 22  7  o 260.586 4.6049  36819.00   1299.70  35365.14   1498.82  41226.21   2609.56  255.329 5.4197  275.302 8.7516  -19.97299      10.29391  
1 1 1 -14 22  8  o 198.061 3.8240  21263.24   820.327  20790.23   946.511  22690.94   1644.42  195.814 4.4628  204.348 7.4297  -8.533905      8.667040  
1 1 1 -14 22  9  o 123.548 3.0385  8271.37    406.595  8070.25    468.627  8883.75    817.752  122.024 3.5458  127.933 5.9016  -5.909264      6.884857  
1 1 1 -14 22  10 o 150.054 3.8263  12206.04   621.870  12208.56   764.352  12201.13   1069.54  150.030 4.7037  149.874 6.5887  0.1560669      8.095433  
1 1 1 -14 22  11 o 263.046 4.7750  37534.64   1360.42  37146.23   1571.79  38694.49   2716.13  261.605 5.5473  266.436 9.4121  -4.830902      10.92521  
1 1 1 -14 22  12 o 164.604 3.4941  14686.99   622.939  14754.66   722.721  14491.43   1228.63  164.956 4.0451  163.274 6.9476  1.681396       8.039419  
1 1 1 -14 22  13 o 53.759  3.5399  1573.55    204.964  1372.76    247.055  2016.90    367.112  50.092  4.6051  60.686  5.6502  -10.59302      7.289160  
1 1 1 -14 22  14 o 149.720 3.3632  12151.92   545.390  11815.78   633.777  13111.27   1070.69  147.606 3.9643  155.313 6.3648  -7.707687      7.498398  
1 1 1 -14 22  15 o 113.545 4.2834  6994.82    526.771  7158.95    766.650  6848.03    725.024  114.588 6.2002  112.090 5.9937  2.498192       8.623599  
1 1 1 -14 22  16 o 100.427 4.3088  5473.24    468.680  5069.85    685.855  5826.64    641.948  96.296  6.6160  103.376 5.7562  -7.079933      8.769604  
1 1 1 -14 22  17 o 108.625 4.3832  6406.18    515.690  6559.34    751.118  6269.61    709.271  109.582 6.3558  107.158 6.1366  2.423805       8.834816  
1 1 1 -14 22  18 o 278.141 7.0945  42231.30   2137.25  0.0000     0.0000   42231.30   2137.25  ?       ?       278.141 7.0945  0.000000       7.094494  
1 1 1 -14 22  19 o 158.756 4.8440  13713.79   832.927  0.0000     0.0000   13713.79   832.927  ?       ?       158.756 4.8440  0.000000       4.844033  
1 1 1 -14 22  20 o 100.598 3.1165  5494.44    339.568  5551.60    507.242  5448.03    457.105  100.963 4.6386  100.066 4.2176  0.8973312      6.269292  
1 1 1 -14 22  21 o 59.934  3.5192  1960.23    227.445  1641.97    475.460  2054.68    259.003  53.810  8.4352  61.311  3.9208  -7.500496      9.301907  
1 1 1 -14 22  22 o 140.176 3.3305  10692.42   505.662  10617.85   1002.39  10717.87   585.640  138.689 6.6730  140.229 3.8559  -1.540161      7.706956  
1 1 1 -14 22  23 o 118.546 3.1551  7649.75    405.104  7151.58    803.933  7819.30    469.000  113.478 6.5690  119.756 3.6158  -6.278381      7.498384  
1 1 1 -14 22  24 o 62.839  3.5885  2162.63    243.226  2719.43    504.465  1993.99    277.626  69.561  6.7820  60.185  4.2870  9.375931       8.023305  
1 1 1 -14 22  25 o 76.452  3.3840  3192.23    280.213  3845.54    564.244  2978.36    322.836  82.820  6.3383  73.601  4.0655  9.218536       7.530099  
1 1 1 -14 22  26 o 25.285  7.0069  372.736    198.524  216.703    419.589  417.740    225.343  24.977  10.071  26.705  7.4883  -1.727583      12.54982  
1 1 1 -14 22  27 o 49.246  4.3181  1349.27    227.993  1134.29    476.223  1413.20    259.688  42.587  10.412  50.242  4.8317  -7.655270      11.47809  
1 1 1 -14 22  28 o 39.935  1.3047  865.546    56.434   725.960    81.483   994.226    78.235   36.456  2.0722  42.770  1.6889  -6.314075      2.673258  
1 1 1 -14 22  29 o 54.681  4.1291  1671.08    242.744  1485.66    511.754  1724.91    275.737  48.020  10.157  55.336  4.6436  -7.315685      11.16780  
1 1 1 -14 22  30 o ?       ?       -180.5132  30.182   -183.3743  30.455   -23.4332   225.662  ?       ?       15.496  6.8460  0.000000       6.846005  
1 1 1 -14 22  31 o 24.223  8.8706  370.805    304.069  531.556    470.037  255.121    398.742  27.771  10.829  23.049  9.6106  4.722261       14.47884  
1 1 1 -14 22  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 23  1  o 124.341 3.0350  8376.78    408.736  8577.69    468.673  7738.55    835.342  125.815 3.4393  119.234 6.4928  6.581123       7.347468  
1 1 1 -14 23  2  o 279.815 5.0514  42457.18   1530.92  43103.58   1766.37  40505.86   3069.01  281.879 5.7856  272.733 10.389  9.146393       11.89172  
1 1 1 -14 23  3  o 318.685 5.5808  55088.93   1926.33  56327.43   2223.18  51357.85   3858.72  322.169 6.3712  306.882 11.609  15.28696       13.24257  
1 1 1 -14 23  4  o 176.658 3.7289  16913.10   713.484  16895.52   782.366  16999.98   1738.98  176.553 4.0913  176.555 9.1250  -0.2273560E-02 10.00024  
1 1 1 -14 23  5  o 146.490 3.2866  11628.11   521.460  11699.57   580.460  11329.24   1187.11  146.929 3.6475  144.210 7.6274  2.719452       8.454640  
1 1 1 -14 23  6  o 314.332 5.4916  53598.66   1869.64  53679.35   2157.86  53355.68   3744.58  314.480 6.3352  312.810 11.052  1.669861       12.73922  
1 1 1 -14 23  7  o 265.261 4.7097  38155.30   1353.12  36706.58   1560.65  42541.98   2715.69  260.111 5.5396  279.615 8.9670  -19.50400      10.54015  
1 1 1 -14 23  8  o 311.570 5.4026  52668.13   1823.17  51601.52   2104.22  55880.07   3651.52  308.297 6.3016  320.108 10.532  -11.81158      12.27319  
1 1 1 -14 23  9  o 383.804 6.5658  80002.20   2729.41  79729.99   3151.07  80820.02   5461.86  382.965 7.5968  384.118 13.128  -1.153046      15.16776  
1 1 1 -14 23  10 o 263.353 7.9331  37726.32   2262.82  37048.38   2766.02  39098.08   3934.59  260.673 9.7969  266.602 13.672  -5.928436      16.81967  
1 1 1 -14 23  11 o 172.004 3.5763  16037.34   666.255  15295.48   770.418  18237.89   1326.88  167.947 4.2353  183.208 6.6868  -15.26115      7.915227  
1 1 1 -14 23  12 o 136.913 3.1876  10159.74   472.701  10181.44   548.743  10097.29   930.728  137.041 3.6970  136.333 6.3031  0.7080688      7.307297  
1 1 1 -14 23  13 o 257.990 5.0744  36123.45   1417.93  35919.06   1531.88  37345.95   3746.46  257.211 5.4988  260.332 13.332  -3.121765      14.42109  
1 1 1 -14 23  14 o 177.802 3.6957  17141.78   711.703  17032.38   826.175  17456.56   1401.40  177.194 4.3048  179.111 7.2239  -1.916992      8.409248  
1 1 1 -14 23  15 o 144.710 3.3162  11353.40   519.762  11431.76   607.622  11139.67   1003.47  145.179 3.8642  143.114 6.4737  2.064819       7.539305  
1 1 1 -14 23  16 o 74.803  3.2911  3034.02    266.642  3228.88    326.598  2644.52    461.753  77.048  3.9267  69.455  6.2034  7.593361       7.341734  
1 1 1 -14 23  17 o 166.146 4.9867  14999.49   897.374  15448.17   1281.81  14568.21   1256.72  168.335 7.0304  163.460 7.0984  4.875198       9.990646  
1 1 1 -14 23  18 o 93.374  6.0291  4769.28    606.485  0.0000     0.0000   4769.28    606.485  ?       ?       93.374  6.0291  0.000000       6.029061  
1 1 1 -14 23  19 o 61.844  4.8215  2093.84    320.408  0.0000     0.0000   2093.84    320.408  ?       ?       61.844  4.8215  0.000000       4.821468  
1 1 1 -14 23  20 o 39.626  5.9782  877.243    248.601  0.0000     0.0000   877.243    248.601  ?       ?       39.626  5.9782  0.000000       5.978243  
1 1 1 -14 23  21 o 43.092  6.5648  1043.08    296.717  0.0000     0.0000   1043.08    296.717  ?       ?       43.092  6.5648  0.000000       6.564827  
1 1 1 -14 23  22 o 103.372 3.6131  5820.39    404.536  5537.74    690.683  5967.99    499.103  100.021 6.4093  104.527 4.4085  -4.506607      7.779067  
1 1 1 -14 23  23 o 105.911 3.1219  6105.84    358.122  6247.23    709.417  6057.49    414.864  106.167 6.1963  105.396 3.6342  0.7718353      7.183429  
1 1 1 -14 23  24 o 63.408  3.7656  2204.78    257.451  2098.24    621.856  2226.82    282.828  59.709  9.9670  63.647  4.1250  -3.937595      10.78689  
1 1 1 -14 23  25 o 31.185  6.8528  565.061    225.144  981.957    562.746  485.614    245.662  39.975  12.021  28.801  7.7186  11.17463       14.28569  
1 1 1 -14 23  26 o 68.933  3.4935  2608.36    259.982  2991.96    538.815  2491.96    296.819  72.465  6.9503  67.204  4.0974  5.260979       8.068179  
1 1 1 -14 23  27 o 74.678  2.7858  3045.66    225.324  2865.52    319.737  3223.38    317.586  71.967  4.1190  76.443  3.8481  -4.475769      5.636851  
1 1 1 -14 23  28 o 83.759  3.4086  3855.81    309.230  4396.61    624.405  3680.07    355.945  87.456  6.6415  81.591  4.0278  5.865089       7.767397  
1 1 1 -14 23  29 o 31.108  6.5859  578.117    214.989  573.014    463.541  579.515    242.668  30.435  10.982  30.847  7.3649  -0.4122963     13.22276  
1 1 1 -14 23  30 o 50.828  2.3714  1416.88    130.552  1415.02    149.021  1423.02    270.747  50.623  2.7280  49.601  5.1130  1.021568       5.795198  
1 1 1 -14 23  31 o 26.859  8.9856  488.229    307.390  608.829    475.609  401.716    402.829  28.970  10.997  25.349  9.9836  3.621157       14.85254  
1 1 1 -14 23  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 24  1  o 134.795 2.9428  9844.32    429.640  9449.34    492.465  11102.87   879.069  132.052 3.4432  143.064 5.6731  -11.01208      6.636237  
1 1 1 -14 24  2  o 62.891  2.6181  2142.77    178.341  2128.72    200.861  2195.09    387.637  62.681  2.9586  63.355  5.7104  -0.6739922     6.431297  
1 1 1 -14 24  3  o 276.075 5.2669  41336.38   1574.90  41983.25   1696.30  37296.28   4239.27  278.198 5.6296  260.442 15.093  17.75586       16.10874  
1 1 1 -14 24  4  o 355.433 6.0357  68550.07   2323.56  66228.09   2681.44  75548.95   4655.36  349.231 7.0890  372.166 11.549  -22.93512      13.55118  
1 1 1 -14 24  5  o 121.983 2.9718  8062.19    392.639  8363.31    450.668  7113.57    799.900  124.232 3.3493  114.294 6.4884  9.938492       7.301853  
1 1 1 -14 24  6  o 125.904 2.9533  8588.81    402.736  8275.75    462.836  9564.89    817.255  123.576 3.4580  132.775 5.6829  -9.199226      6.652286  
1 1 1 -14 24  7  o 94.895  2.7405  4878.92    281.667  4376.41    320.086  6603.39    592.951  89.866  3.2885  110.342 4.9615  -20.47540      5.952339  
1 1 1 -14 24  8  o 140.653 3.1962  10720.70   486.920  10747.11   559.951  10638.79   986.070  140.811 3.6715  139.971 6.5043  0.8408813      7.468989  
1 1 1 -14 24  9  o 321.267 5.6297  56014.38   1958.93  55962.78   2261.33  56169.55   3921.20  321.004 6.5040  320.680 11.290  0.3240662      13.02906  
1 1 1 -14 24  10 o 213.048 5.7394  24638.62   1324.39  23408.34   1870.86  25874.46   1875.08  207.391 8.3288  218.091 7.9380  -10.70039      11.50566  
1 1 1 -14 24  11 o 114.527 3.0983  7108.35    384.328  6611.15    451.108  8424.70    734.011  110.430 3.7716  124.587 5.4395  -14.15731      6.619158  
1 1 1 -14 24  12 o 187.737 3.8233  19109.46   777.432  17910.29   899.526  22649.37   1545.50  181.705 4.5706  204.107 6.9910  -22.40199      8.352530  
1 1 1 -14 24  13 o 133.304 3.2346  9631.88    467.012  9368.33    544.234  10367.94   909.522  131.444 3.8227  138.148 6.0785  -6.703720      7.180665  
1 1 1 -14 24  14 o 249.592 4.5783  33802.86   1237.68  34331.66   1431.00  32232.70   2465.84  251.459 5.2541  242.970 9.3700  8.488953       10.74261  
1 1 1 -14 24  15 o 84.097  3.2000  3834.17    291.473  3678.01    350.650  4183.30    524.307  82.344  3.9316  87.573  5.5565  -5.228691      6.806777  
1 1 1 -14 24  16 o 51.023  3.9173  1420.65    214.833  1332.10    266.981  1583.32    361.847  49.263  5.0764  53.574  6.3602  -4.310417      8.137653  
1 1 1 -14 24  17 o 51.452  3.6082  1443.28    199.806  1594.08    274.741  1273.99    291.104  53.963  4.7490  48.061  5.7035  5.902092       7.421777  
1 1 1 -14 24  18 o 164.160 3.5631  14625.60   633.524  13869.78   897.371  15376.61   894.511  159.669 5.1890  168.159 4.9113  -8.489731      7.144659  
1 1 1 -14 24  19 o 53.224  4.9289  1555.26    280.911  0.0000     0.0000   1555.26    280.911  ?       ?       53.224  4.9289  0.000000       4.928878  
1 1 1 -14 24  20 o 203.127 5.6161  22543.76   1235.59  0.0000     0.0000   22543.76   1235.59  ?       ?       203.127 5.6161  0.000000       5.616127  
1 1 1 -14 24  21 o 137.889 4.5448  10374.65   678.761  0.0000     0.0000   10374.65   678.761  ?       ?       137.889 4.5448  0.000000       4.544834  
1 1 1 -14 24  22 o 45.145  6.4271  1145.54    305.392  0.0000     0.0000   1145.54    305.392  ?       ?       45.145  6.4271  0.000000       6.427122  
1 1 1 -14 24  23 o 27.354  8.5228  420.837    279.681  0.0000     0.0000   420.837    279.681  ?       ?       27.354  8.5228  0.000000       8.522760  
1 1 1 -14 24  24 o 66.947  2.5335  2437.40    183.709  2603.21    239.336  2199.62    286.616  69.101  3.1978  63.230  4.2092  5.870880       5.286150  
1 1 1 -14 24  25 o 109.272 3.2476  6518.58    384.359  7844.13    847.955  6175.81    431.201  118.198 6.6506  106.219 3.7481  11.97870       7.634043  
1 1 1 -14 24  26 o 62.915  3.9891  2183.57    270.426  2682.37    637.261  2074.02    298.650  67.467  8.9410  61.144  4.5421  6.323830       10.02854  
1 1 1 -14 24  27 o 32.711  6.7288  628.161    230.441  814.321    530.273  584.820    255.865  35.978  11.792  31.282  7.6218  4.696173       14.04095  
1 1 1 -14 24  28 o 84.844  3.4249  3957.25    314.734  3169.67    634.349  4214.44    362.498  73.106  8.1500  87.395  3.8296  -14.28857      9.004934  
1 1 1 -14 24  29 o 36.764  5.6817  785.434    218.945  876.683    468.040  759.872    247.720  36.177  10.982  35.723  6.6469  0.4537849      12.83677  
1 1 1 -14 24  30 o 23.381  1.1830  297.777    29.862   193.077    448.645  298.243    29.928   23.365  9.9887  23.399  1.1847  -0.3453827E-01 10.05875  
1 1 1 -14 24  31 o 17.667  7.7968  17.238     291.926  30.265     455.551  8.1615     380.265  21.055  9.4837  19.468  8.7252  1.586670       12.88682  
1 1 1 -14 24  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 25  1  o 363.020 6.2809  71518.41   2469.59  69460.98   2849.90  77720.94   4948.25  357.620 7.3576  377.355 12.107  -19.73544      14.16723  
1 1 1 -14 25  2  o 288.029 5.5045  45000.46   1717.21  44438.34   1847.58  48567.28   4654.03  286.184 5.9606  297.812 14.428  -11.62744      15.61109  
1 1 1 -14 25  3  o 374.266 6.5012  76031.36   2635.38  75594.46   3041.68  77346.85   5277.98  373.044 7.5281  376.216 12.953  -3.172638      14.98147  
1 1 1 -14 25  4  o 216.490 4.0825  25404.65   957.261  26008.11   1103.72  23572.65   1923.08  219.016 4.6528  208.216 8.5273  10.79961       9.714108  
1 1 1 -14 25  5  f 104.293 2.7829  5893.04    314.352  5667.79    360.257  6611.81    643.537  102.272 3.2523  110.404 5.3817  -8.131920      6.288071  
1 1 1 -14 25  6  o 230.239 4.2982  28739.03   1071.84  29081.22   1236.30  27703.32   2150.81  231.566 4.9292  225.661 8.7999  5.905167       10.08636  
1 1 1 -14 25  7  o 177.148 3.5314  17007.78   677.563  16551.00   780.115  18410.60   1367.11  174.728 4.1222  184.111 6.8558  -9.382996      7.999605  
1 1 1 -14 25  8  o 122.604 3.0347  8145.36    402.984  8080.42    463.913  8345.03    813.442  122.102 3.5079  123.986 6.0574  -1.884453      6.999767  
1 1 1 -14 25  9  o 162.093 3.4044  14240.14   597.690  13258.18   688.783  17233.54   1202.59  156.378 4.0666  178.151 6.2324  -21.77328      7.441828  
1 1 1 -14 25  10 o 281.830 7.1177  43172.22   2172.70  41740.36   3070.98  44607.22   3074.35  276.575 10.252  285.983 9.9253  -9.407928      14.26912  
1 1 1 -14 25  11 o 193.522 3.8230  20304.22   801.329  19356.34   924.921  23157.07   1604.61  188.909 4.5204  206.381 7.1784  -17.47165      8.483174  
1 1 1 -14 25  12 o 47.990  3.7576  1256.26    193.754  1116.69    233.449  1565.24    347.342  45.107  4.8548  53.333  6.1241  -8.226143      7.814943  
1 1 1 -14 25  13 o 148.755 3.3417  11995.17   538.409  11509.26   624.203  13407.34   1064.13  145.683 3.9559  157.079 6.2547  -11.39529      7.400707  
1 1 1 -14 25  14 o 195.110 3.9485  20646.50   834.413  19523.40   966.562  23932.03   1653.19  189.670 4.7050  209.688 7.2791  -20.01784      8.667356  
1 1 1 -14 25  15 o 103.925 3.1044  5854.96    349.432  5818.65    412.087  5947.89    659.227  103.581 3.6732  104.447 5.8509  -0.8665161     6.908297  
1 1 1 -14 25  16 o 85.313  2.7743  3945.22    256.349  4379.58    345.308  3411.91    382.622  89.860  3.5479  79.153  4.4815  10.70760       5.715866  
1 1 1 -14 25  17 o 114.770 3.0354  7142.78    377.329  7453.78    535.401  6835.87    531.864  117.170 4.2188  112.198 4.3767  4.972557       6.078976  
1 1 1 -14 25  18 o 122.437 3.1574  8132.59    418.703  8384.55    600.892  7894.81    583.750  124.210 4.4665  120.527 4.4717  3.682625       6.320291  
1 1 1 -14 25  19 o 88.974  3.0382  4296.15    292.781  4224.48    605.989  4317.98    334.400  87.681  6.4258  89.172  3.4623  -1.491043      7.299221  
1 1 1 -14 25  20 o 73.563  3.5676  2941.56    284.251  0.0000     0.0000   2941.56    284.251  ?       ?       73.563  3.5676  0.000000       3.567588  
1 1 1 -14 25  21 o 85.179  4.3810  3968.09    402.811  0.0000     0.0000   3968.09    402.811  ?       ?       85.179  4.3810  0.000000       4.380974  
1 1 1 -14 25  22 o 140.628 4.7167  10820.64   718.430  0.0000     0.0000   10820.64   718.430  ?       ?       140.628 4.7167  0.000000       4.716733  
1 1 1 -14 25  23 o 60.683  5.2174  2038.26    339.587  0.0000     0.0000   2038.26    339.587  ?       ?       60.683  5.2174  0.000000       5.217447  
1 1 1 -14 25  24 o 60.164  5.3059  2011.56    342.210  0.0000     0.0000   2011.56    342.210  ?       ?       60.164  5.3059  0.000000       5.305870  
1 1 1 -14 25  25 o 93.520  3.8846  4791.94    393.482  0.0000     0.0000   4791.94    393.482  ?       ?       93.520  3.8846  0.000000       3.884643  
1 1 1 -14 25  26 o 68.173  2.7201  2534.60    200.846  2243.85    602.919  2570.90    213.012  61.338  9.3727  68.634  2.8655  -7.295223      9.800952  
1 1 1 -14 25  27 o 66.119  2.7362  2387.58    195.949  2547.58    565.290  2365.73    208.901  65.803  8.1026  65.775  2.9323  0.2883148E-01  8.616914  
1 1 1 -14 25  28 o 48.306  4.7633  1312.44    245.974  1158.63    517.234  1357.40    279.616  42.172  11.153  48.895  5.3683  -6.722309      12.37749  
1 1 1 -14 25  29 o 22.436  1.5590  275.025    37.649   277.280    38.128   186.821    238.489  22.526  1.5726  20.145  7.7532  2.381559       7.911057  
1 1 1 -14 25  30 o 14.461  6.4525  -41.3211   205.497  384.355    477.086  -138.2875  227.702  26.189  10.674  13.856  6.4138  12.33254       12.45232  
1 1 1 -14 25  31 o 19.733  8.2632  145.231    296.562  367.306    458.631  -14.3463   388.777  25.164  10.384  19.368  8.7392  5.795458       13.57214  
1 1 1 -14 25  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 26  1  o 184.096 3.7832  18368.36   754.360  17824.17   825.321  21130.98   1859.55  181.332 4.2022  197.123 8.7096  -15.79123      9.670370  
1 1 1 -14 26  2  o 151.970 3.2092  12514.13   528.231  12522.43   607.257  12488.29   1070.83  152.007 3.6884  151.679 6.5182  0.3274841      7.489389  
1 1 1 -14 26  3  o 323.258 5.4842  56684.25   1920.15  54688.03   2215.42  62711.62   3849.59  317.414 6.4440  339.263 10.476  -21.84863      12.29952  
1 1 1 -14 26  4  o 178.452 3.7483  17259.38   724.484  17097.26   849.238  17692.82   1388.57  177.584 4.4152  180.494 7.1029  -2.909271      8.363340  
1 1 1 -14 26  5  o 297.800 5.6188  48115.38   1812.33  47630.42   2146.12  49320.96   3383.75  296.182 6.6900  300.844 10.385  -4.661652      12.35290  
1 1 1 -14 26  6  o 161.502 3.3210  14134.63   580.919  13585.29   668.538  15828.01   1173.77  158.312 3.8989  170.751 6.3467  -12.43877      7.448632  
1 1 1 -14 26  7  o 217.244 4.0677  25585.49   957.117  24878.66   1103.64  27729.99   1922.34  214.181 4.7575  225.841 7.8588  -11.66008      9.186642  
1 1 1 -14 26  8  o 368.335 6.2668  73663.95   2500.12  72122.44   2885.61  78304.88   5006.89  364.289 7.3134  378.386 12.217  -14.09717      14.23869  
1 1 1 -14 26  9  o 429.896 7.8976  100522.50  3677.31  99587.34   3933.10  107018.30  10366.21 427.746 8.4894  436.694 21.987  -8.947174      23.56903  
1 1 1 -14 26  10 o 291.593 7.3401  46228.59   2318.20  47031.31   3277.40  45424.86   3279.46  293.552 10.308  288.453 10.497  5.098297       14.71183  
1 1 1 -14 26  11 o 102.300 3.0477  5671.59    337.690  5163.79    391.129  7158.36    669.262  97.596  3.7001  114.842 5.3805  -17.24535      6.530018  
1 1 1 -14 26  12 o 209.779 4.0408  23864.25   918.125  23526.79   1061.83  24864.02   1827.65  208.241 4.7078  213.725 7.8953  -5.484436      9.192324  
1 1 1 -14 26  13 o 212.870 4.1045  24576.15   946.333  24485.52   1095.06  24843.48   1880.71  212.422 4.7596  213.561 8.1307  -1.138229      9.421378  
1 1 1 -14 26  14 o 163.439 3.5549  14484.01   629.288  14060.21   732.532  15677.66   1229.37  160.991 4.2010  169.776 6.6856  -8.784515      7.895904  
1 1 1 -14 26  15 o 340.545 5.7057  63025.70   2104.51  59930.97   2565.10  69398.41   3680.92  331.750 7.1388  356.226 9.5403  -24.47586      11.91549  
1 1 1 -14 26  16 o 72.242  2.6650  2828.81    208.524  3276.24    371.453  2622.93    251.973  77.559  4.4403  69.546  3.3451  8.012909       5.559337  
1 1 1 -14 26  17 o 164.982 3.4687  14766.76   619.824  15237.15   884.049  14311.98   869.265  167.445 4.8746  162.273 4.9458  5.171402       6.944215  
1 1 1 -14 26  18 o 200.647 3.9464  21864.80   857.647  22315.76   1216.80  21419.57   1209.03  202.424 5.5499  198.302 5.6291  4.122223       7.904972  
1 1 1 -14 26  19 o 143.023 3.2877  11106.25   509.296  11178.84   1025.17  11082.46   586.834  142.932 6.6221  142.809 3.7939  0.1223602      7.631911  
1 1 1 -14 26  20 o 102.836 3.0097  5742.92    335.224  5874.39    682.678  5701.15    384.812  103.384 6.1240  102.415 3.4691  0.9690704      7.038281  
1 1 1 -14 26  21 o 147.852 3.3276  11889.73   532.878  11446.55   1038.59  12048.09   620.822  144.140 6.6526  148.723 3.8541  -4.583328      7.688330  
1 1 1 -14 26  22 o 19.089  7.3524  137.503    214.602  0.0000     0.0000   137.503    214.602  ?       ?       19.089  7.3524  0.000000       7.352403  
1 1 1 -14 26  23 o 30.347  8.8015  532.631    306.197  0.0000     0.0000   532.631    306.197  ?       ?       30.347  8.8015  0.000000       8.801529  
1 1 1 -14 26  24 o 32.213  8.2076  609.314    287.181  0.0000     0.0000   609.314    287.181  ?       ?       32.213  8.2076  0.000000       8.207568  
1 1 1 -14 26  25 o 50.759  5.9077  1451.67    318.713  0.0000     0.0000   1451.67    318.713  ?       ?       50.759  5.9077  0.000000       5.907666  
1 1 1 -14 26  26 o 30.854  8.8482  570.232    311.025  0.0000     0.0000   570.232    311.025  ?       ?       30.854  8.8482  0.000000       8.848192  
1 1 1 -14 26  27 o 27.213  9.0584  429.743    312.463  0.0000     0.0000   429.743    312.463  ?       ?       27.213  9.0584  0.000000       9.058448  
1 1 1 -14 26  28 o 38.799  1.5708  817.892    66.010   621.058    95.771   996.026    91.108   33.606  2.6527  42.776  1.9664  -9.170044      3.302067  
1 1 1 -14 26  29 o 39.899  5.4832  921.093    230.691  997.047    506.162  901.179    259.173  38.054  11.391  39.051  6.3454  -0.9972687     13.03916  
1 1 1 -14 26  30 o 24.375  7.5573  374.905    220.211  -217.0108  494.495  521.328    245.944  19.826  9.2694  28.452  7.7644  -8.625469      12.09165  
1 1 1 -14 26  31 o 31.830  9.8596  731.598    374.918  236.798    522.290  1257.61    538.511  24.096  10.537  39.847  11.706  -15.75153      15.74963  
1 1 1 -14 26  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 27  1  o 206.513 3.8881  23115.44   869.661  22420.38   1001.58  25244.94   1753.12  203.352 4.5474  215.567 7.5086  -12.21405      8.778318  
1 1 1 -14 27  2  o 98.990  2.7602  5308.98    295.945  5319.19    337.570  5275.05    615.205  99.079  3.1457  98.432  5.7961  0.6473618      6.594680  
1 1 1 -14 27  3  o 154.804 3.3031  12985.92   553.826  13107.99   636.984  12607.80   1121.06  155.515 3.7817  152.382 6.7924  3.133209       7.774220  
1 1 1 -14 27  4  o 114.071 2.9163  7050.22    360.311  7399.62    413.234  5942.22    735.885  116.856 3.2649  104.418 6.5398  12.43836       7.309474  
1 1 1 -14 27  5  o 174.671 3.5614  16535.23   673.763  16979.02   776.462  15182.57   1355.59  176.980 4.0507  167.157 7.4874  9.822174       8.512880  
1 1 1 -14 27  6  o 237.811 4.4043  30663.92   1134.43  30723.98   1308.42  30482.06   2276.78  237.996 5.0758  236.666 8.8821  1.329971       10.23013  
1 1 1 -14 27  7  o 397.344 6.7669  85755.38   2912.23  84377.88   3361.73  89897.92   5829.76  393.933 7.8790  405.121 13.286  -11.18781      15.44661  
1 1 1 -14 27  8  o 327.486 5.6606  58205.53   2007.84  57296.27   2317.08  60946.30   4022.83  324.794 6.5866  334.079 11.118  -9.284790      12.92230  
1 1 1 -14 27  9  o 469.878 7.7842  120080.80  3961.58  112672.60  4573.27  142350.70  7929.23  454.742 9.2852  508.974 14.384  -54.23251      17.12018  
1 1 1 -14 27  10 o 118.050 4.2756  7557.27    546.678  7659.40    769.269  7453.07    777.026  118.616 6.0074  116.988 6.1540  1.627869       8.599988  
1 1 1 -14 27  11 o 332.688 5.7982  60097.96   2089.29  59478.79   2412.04  61958.33   4180.96  330.818 6.7317  336.508 11.471  -5.689880      13.30059  
1 1 1 -14 27  12 o 177.148 3.6186  17013.15   694.295  17029.48   804.211  16965.37   1375.80  177.200 4.1902  176.616 7.1921  0.5840759      8.323690  
1 1 1 -14 27  13 o 124.786 3.1180  8440.23    421.420  8639.58    490.421  7877.53    823.942  126.234 3.5869  120.224 6.3501  6.010063       7.293131  
1 1 1 -14 27  14 o 175.088 3.2215  16618.88   610.913  16895.62   796.674  16223.87   951.799  176.478 4.1679  172.861 5.0837  3.616867       6.573840  
1 1 1 -14 27  15 o 74.744  3.1442  3028.76    254.538  3440.20    373.499  2671.97    347.813  79.501  4.3541  70.009  4.6128  9.492203       6.343182  
1 1 1 -14 27  16 o 254.924 4.6460  35291.11   1282.79  34877.81   1817.01  35701.81   1811.28  253.064 6.6291  256.057 6.5310  -2.993118      9.305872  
1 1 1 -14 27  17 o 280.975 5.0849  42923.27   1547.46  41728.31   2193.00  44108.34   2183.91  276.451 7.3240  284.298 7.0924  -7.846710      10.19524  
1 1 1 -14 27  18 o 277.447 5.3888  41918.41   1619.34  39677.73   2488.04  43565.14   2132.94  268.807 8.5457  282.317 6.9754  -13.51035      11.03112  
1 1 1 -14 27  19 o 112.527 2.9507  6872.02    359.629  8127.74    739.013  6482.38    411.661  122.038 5.5910  109.244 3.4791  12.79347       6.585089  
1 1 1 -14 27  20 o 135.553 3.1964  9983.30    469.293  10482.78   946.741  9820.59    540.351  138.251 6.3225  134.368 3.7129  3.882965       7.332122  
1 1 1 -14 27  21 o 100.524 3.0925  5493.57    336.702  5383.71    663.773  5531.63    390.698  98.747  6.2383  100.806 3.5784  -2.059868      7.191725  
1 1 1 -14 27  22 o 156.878 3.4623  13405.31   588.288  12992.67   1170.34  13544.82   680.509  153.055 7.0598  157.543 3.9881  -4.488007      8.108378  
1 1 1 -14 27  23 o 55.015  1.8610  1642.37    110.893  1447.03    167.318  1795.39    148.089  51.470  3.0145  57.485  2.3785  -6.014587      3.839825  
1 1 1 -14 27  24 o 60.256  5.2679  2017.87    340.348  0.0000     0.0000   2017.87    340.348  ?       ?       60.256  5.2679  0.000000       5.267934  
1 1 1 -14 27  25 o 32.217  8.1849  614.696    286.179  0.0000     0.0000   614.696    286.179  ?       ?       32.217  8.1849  0.000000       8.184918  
1 1 1 -14 27  26 o 26.948  8.5551  421.061    280.523  0.0000     0.0000   421.061    280.523  ?       ?       26.948  8.5551  0.000000       8.555138  
1 1 1 -14 27  27 o 32.021  8.8350  626.215    316.404  0.0000     0.0000   626.215    316.404  ?       ?       32.021  8.8350  0.000000       8.834970  
1 1 1 -14 27  28 o 15.092  6.9869  -187.0123  270.380  0.0000     0.0000   -187.0123  270.380  ?       ?       15.092  6.9869  0.000000       6.986909  
1 1 1 -14 27  29 o 31.512  8.6852  632.219    305.956  0.0000     0.0000   632.219    305.956  ?       ?       31.512  8.6852  0.000000       8.685213  
1 1 1 -14 27  30 o 27.026  10.555  466.728    447.074  0.0000     0.0000   466.728    447.074  ?       ?       27.026  10.555  0.000000       10.55518  
1 1 1 -14 27  31 o 19.230  8.3491  82.910     322.887  4.4587     495.598  140.769    425.613  21.346  9.7244  21.745  9.5105  -0.3988457     13.60201  
1 1 1 -14 27  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 28  1  o 132.253 3.0534  9477.23    437.386  9406.49    501.100  9703.56    896.310  131.747 3.5117  133.711 6.1890  -1.964478      7.115869  
1 1 1 -14 28  2  o 101.484 2.7290  5579.87    299.968  5830.06    349.119  4874.21    586.312  103.728 3.1075  94.607  5.7491  9.120888       6.535163  
1 1 1 -14 28  3  o 133.841 3.1332  9706.57    454.202  9916.08    509.279  8892.06    1004.14  135.269 3.4761  127.735 7.2882  7.533539       8.074692  
1 1 1 -14 28  4  o 194.505 3.8037  20505.67   801.326  20902.78   923.316  19293.67   1613.05  196.353 4.3415  188.399 7.9050  7.953827       9.018705  
1 1 1 -14 28  5  o 172.156 3.4599  16062.10   645.151  15705.33   742.930  17156.19   1301.00  170.210 4.0299  177.738 6.7581  -7.527603      7.868433  
1 1 1 -14 28  6  o 389.487 7.1900  82423.93   3033.14  82151.77   3247.39  84284.66   8491.20  388.747 7.7125  388.989 20.224  -0.2417603     21.64447  
1 1 1 -14 28  7  f 589.385 9.8751  189329.20  6303.93  194002.09  7278.53  175300.80  12611.13 596.037 11.275  561.049 20.753  34.98859       23.61795  
1 1 1 -14 28  8  o 466.244 7.8401  118225.00  3959.19  116949.90  4570.61  122057.60  7923.94  463.380 9.1068  470.832 15.538  -7.451355      18.01040  
1 1 1 -14 28  9  o 259.237 4.6831  36451.96   1314.93  35015.40   1517.29  40785.91   2635.41  254.001 5.5152  273.655 8.8915  -19.65410      10.46313  
1 1 1 -14 28  10 o 58.943  4.5323  1895.53    287.132  1629.54    398.870  2181.62    413.668  54.320  6.9381  63.085  6.1316  -8.765678      9.259235  
1 1 1 -14 28  11 o 87.225  3.0469  4123.25    287.853  3984.83    334.028  4522.67    567.414  85.736  3.5971  91.082  5.7817  -5.346458      6.809317  
1 1 1 -14 28  12 f 18.381  6.4838  159.816    160.691  216.099    190.205  19.485     300.337  20.776  7.0677  19.623  8.2715  1.153229       10.87975  
1 1 1 -14 28  13 o 137.703 3.2570  10279.03   485.770  10118.66   565.825  10728.54   947.315  136.600 3.8244  140.500 6.2251  -3.900772      7.306019  
1 1 1 -14 28  14 o 102.541 3.0111  5699.56    334.426  5919.71    479.159  5490.46    466.977  104.455 4.2353  100.595 4.2860  3.860580       6.025533  
1 1 1 -14 28  15 o 158.477 3.4330  13619.16   589.265  13987.76   837.828  13258.35   828.936  160.504 4.8195  156.257 4.8979  4.247559       6.871458  
1 1 1 -14 28  16 o 182.252 3.6884  18020.40   728.081  18560.66   1038.85  17498.83   1020.72  184.801 5.1901  179.429 5.2522  5.371628       7.383967  
1 1 1 -14 28  17 o 259.412 4.7350  36573.77   1330.39  34714.18   1883.90  38423.74   1879.02  252.228 6.8960  265.465 6.5351  -13.23639      9.500644  
1 1 1 -14 28  18 o 98.632  3.0621  5278.22    327.114  5052.11    474.400  5483.18    451.657  96.387  4.5442  100.449 4.1514  -4.062210      6.154959  
1 1 1 -14 28  19 o 178.976 3.8877  17414.44   753.620  16556.21   1130.13  18101.68   1011.30  174.048 5.9950  182.214 5.1242  -8.166504      7.886568  
1 1 1 -14 28  20 o 81.746  3.0956  3630.39    274.085  3307.60    549.450  3737.32    316.241  77.320  6.6249  82.903  3.5219  -5.582993      7.502912  
1 1 1 -14 28  21 o 27.446  6.4157  431.166    187.301  297.194    360.534  480.689    219.202  25.846  9.6242  28.931  7.0580  -3.085375      11.93485  
1 1 1 -14 28  22 o 218.319 4.1961  26036.15   992.214  26187.20   1980.45  25985.53   1146.48  216.121 8.4605  217.787 4.8603  -1.666473      9.757207  
1 1 1 -14 28  23 o 96.167  3.1236  5037.12    325.350  5207.10    644.470  4978.99    376.905  96.790  6.1798  95.512  3.6434  1.277992       7.173834  
1 1 1 -14 28  24 o 87.682  3.2287  4193.71    306.627  5147.07    633.508  3902.04    350.406  96.068  6.1203  84.454  3.8307  11.61336       7.220263  
1 1 1 -14 28  25 o 110.819 3.2018  6707.47    384.310  6646.22    786.277  6726.69    440.515  108.576 6.7191  110.831 3.6697  -2.255035      7.655915  
1 1 1 -14 28  26 o 27.880  7.5001  459.856    231.429  0.0000     0.0000   459.856    231.429  ?       ?       27.880  7.5001  0.000000       7.500079  
1 1 1 -14 28  27 o 34.593  8.5719  729.889    319.533  0.0000     0.0000   729.889    319.533  ?       ?       34.593  8.5719  0.000000       8.571888  
1 1 1 -14 28  28 o 43.904  6.8750  1133.53    316.194  0.0000     0.0000   1133.53    316.194  ?       ?       43.904  6.8750  0.000000       6.874968  
1 1 1 -14 28  29 o 20.082  8.2358  139.689    286.286  0.0000     0.0000   139.689    286.286  ?       ?       20.082  8.2358  0.000000       8.235832  
1 1 1 -14 28  30 o 33.786  11.009  847.732    462.453  0.0000     0.0000   847.732    462.453  ?       ?       33.786  11.009  0.000000       11.00937  
1 1 1 -14 28  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 28  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 29  1  o 357.552 6.3005  69397.05   2439.95  69862.77   2815.71  67993.08   4888.78  358.613 7.2492  352.621 12.800  5.991943       14.71057  
1 1 1 -14 29  2  o 35.375  3.2001  683.652    121.284  704.149    132.371  576.449    302.730  35.881  3.4486  32.008  8.5642  3.872940       9.232445  
1 1 1 -14 29  3  o 265.266 4.7647  38158.79   1368.94  38012.92   1578.88  38600.48   2747.46  264.697 5.5072  266.252 9.5272  -1.555023      11.00443  
1 1 1 -14 29  4  o 433.091 7.9558  101973.00  3731.91  102273.70  3990.55  99876.49   10537.41 433.611 8.4969  421.985 23.143  11.62576       24.65390  
1 1 1 -14 29  5  o 34.858  3.5103  665.224    130.730  667.580    146.538  656.037    289.368  34.870  3.9496  34.058  7.9834  0.8120918      8.906945  
1 1 1 -14 29  6  o 214.276 4.3703  24895.76   1014.27  24813.80   1101.48  25352.73   2600.90  213.899 4.7544  215.210 11.197  -1.311371      12.16435  
1 1 1 -14 29  7  o 156.795 3.3552  13323.96   569.800  13845.86   657.097  11741.88   1144.06  159.819 3.7960  146.993 7.1859  12.82655       8.126942  
1 1 1 -14 29  8  f 48.282  2.7574  1267.26    143.600  2310.18    279.262  892.366    167.432  65.156  3.9762  40.387  3.8752  24.76970       5.552249  
1 1 1 -14 29  9  o 243.424 4.4685  32136.63   1178.14  31948.05   1359.17  32706.48   2362.69  242.648 5.1716  245.043 8.9021  -2.394043      10.29532  
1 1 1 -14 29  10 o 185.730 5.2528  18720.77   1056.69  18308.09   1491.16  19137.05   1497.63  183.470 7.5039  187.592 7.3709  -4.121796      10.51850  
1 1 1 -14 29  11 o 439.144 7.4098  104900.00  3524.36  102548.10  4069.11  111962.30  7051.20  433.843 8.6596  450.909 14.438  -17.06674      16.83570  
1 1 1 -14 29  12 o 153.889 3.4540  12838.18   575.703  12372.31   666.950  14199.93   1140.27  151.041 4.0769  161.633 6.5134  -10.59222      7.684090  
1 1 1 -14 29  13 o 176.122 3.6096  16819.02   688.570  16103.25   975.263  17530.46   972.314  172.217 5.2285  179.707 4.9954  -7.489838      7.231244  
1 1 1 -14 29  14 o 328.411 5.7403  58609.42   2041.86  55920.83   2888.05  61296.42   2887.20  320.184 8.3279  335.327 7.9495  -15.14346      11.51294  
1 1 1 -14 29  15 o 191.156 3.8102  19822.19   788.881  19674.24   1115.42  19970.26   1115.87  190.278 5.4123  191.709 5.3740  -1.430679      7.627128  
1 1 1 -14 29  16 f 313.358 5.4943  53395.90   1864.75  50290.70   2637.04  56501.65   2637.27  303.405 8.0246  321.750 7.5677  -18.34531      11.03018  
1 1 1 -14 29  17 o 254.926 4.6775  35321.84   1291.51  35321.98   1829.35  35321.71   1823.59  254.459 6.6375  254.464 6.6166  -0.4852295E-02 9.372078  
1 1 1 -14 29  18 o 62.746  3.3343  2143.15    225.788  2655.04    336.262  1722.86    304.692  69.730  4.4760  56.025  5.0763  13.70468       6.767827  
1 1 1 -14 29  19 o 217.870 4.1679  25825.48   983.526  25342.12   1391.83  26307.58   1390.00  215.299 5.9686  219.403 5.8493  -4.103821      8.356941  
1 1 1 -14 29  20 o 66.515  3.1600  2404.14    227.652  2447.77    475.319  2391.15    259.331  66.399  6.7009  66.200  3.6307  0.1987381      7.621281  
1 1 1 -14 29  21 o 80.440  3.1688  3519.16    276.078  4135.08    542.821  3304.24    320.647  86.572  5.8229  77.873  3.8017  8.699760       6.954051  
1 1 1 -14 29  22 o 44.222  2.1960  1061.62    105.183  1391.57    412.857  1038.72    108.772  49.336  8.0002  43.677  2.3075  5.659191       8.326356  
1 1 1 -14 29  23 o 58.179  2.5220  1840.08    158.920  1747.81    196.826  2012.90    269.360  56.541  3.2274  60.517  4.1342  -3.975422      5.244781  
1 1 1 -14 29  24 o 33.939  5.8971  656.197    208.908  844.990    442.187  601.950    237.028  37.463  10.484  32.203  6.9957  5.259220       12.60404  
1 1 1 -14 29  25 o 50.415  4.2585  1407.10    230.355  1319.76    487.681  1432.18    261.347  46.700  9.9463  50.713  4.8158  -4.013275      11.05085  
1 1 1 -14 29  26 o 49.866  4.3317  1381.96    231.627  931.978    492.722  1509.61    262.433  38.500  11.165  52.016  4.7091  -13.51688      12.11719  
1 1 1 -14 29  27 o 57.271  3.9703  1817.99    244.758  2025.99    522.219  1759.44    277.076  58.221  8.5348  56.117  4.5990  2.103580       9.695016  
1 1 1 -14 29  28 f 35.514  5.9282  733.606    219.992  134.123    478.692  894.121    247.700  24.224  10.336  39.245  6.0195  -15.02014      11.96109  
1 1 1 -14 29  29 o 22.870  8.6148  280.454    290.508  0.0000     0.0000   280.454    290.508  ?       ?       22.870  8.6148  0.000000       8.614845  
1 1 1 -14 29  30 o 30.266  10.862  662.527    452.811  0.0000     0.0000   662.527    452.811  ?       ?       30.266  10.862  0.000000       10.86169  
1 1 1 -14 29  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 29  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 30  1  o 416.336 7.0621  94157.54   3184.53  94066.74   3675.49  94430.94   6377.91  415.923 8.1589  415.024 14.188  0.8996887      16.36704  
1 1 1 -14 30  2  o 189.129 3.8161  19388.52   781.722  19653.91   900.045  18573.55   1577.24  190.393 4.3646  184.842 7.8782  5.550385       9.006415  
1 1 1 -14 30  3  o 234.557 4.5015  29832.07   1143.61  28502.17   1348.31  33241.85   2158.96  229.204 5.4312  247.257 8.0617  -18.05338      9.720551  
1 1 1 -14 30  4  o 49.431  2.8510  1328.32    151.990  1374.45    169.409  1137.97    344.121  50.266  3.1272  45.201  7.2759  5.064892       7.919469  
1 1 1 -14 30  5  o 212.600 4.0939  24503.94   942.696  25324.19   1087.01  22015.30   1893.39  216.096 4.6442  201.137 8.6912  14.95958       9.854205  
1 1 1 -14 30  6  o 119.784 2.9218  7774.67    379.074  7566.79    433.154  8454.71    783.447  118.160 3.3845  124.810 5.7955  -6.649460      6.711402  
1 1 1 -14 30  7  o 149.611 3.2812  12130.86   531.696  12608.61   613.014  10679.97   1068.30  152.513 3.7110  140.014 7.0673  12.49887       7.982378  
1 1 1 -14 30  8  o 182.609 3.8521  18077.67   761.883  18052.09   835.234  18204.39   1859.20  182.460 4.2264  182.528 9.4366  -0.6748962E-01 10.33981  
1 1 1 -14 30  9  o 182.374 3.6298  18029.72   716.996  17390.13   826.019  19984.27   1443.98  179.077 4.2587  191.755 6.9525  -12.67851      8.153204  
1 1 1 -14 30  10 o 48.334  2.5044  1269.17    130.656  1536.73    368.661  1230.73    139.726  52.774  6.5935  47.580  2.7226  5.193748       7.133541  
1 1 1 -14 30  11 o 230.410 4.2970  28793.73   1072.36  28737.88   1238.30  28961.22   2144.46  230.128 4.9681  230.559 8.5875  -0.4312439     9.921011  
1 1 1 -14 30  12 o 214.680 3.6793  24988.55   855.507  22956.28   1104.47  28036.74   1352.64  205.665 4.9582  227.231 5.4960  -21.56534      7.401995  
1 1 1 -14 30  13 o 311.577 5.4905  52726.98   1852.86  50982.35   2621.95  54467.34   2618.75  305.900 7.9136  316.246 7.6454  -10.34573      11.00349  
1 1 1 -14 30  14 o 181.670 3.6751  17899.00   723.137  16624.53   1021.22  19180.75   1024.13  174.939 5.3897  187.945 5.0310  -13.00591      7.372887  
1 1 1 -14 30  15 o 293.220 5.2413  46716.49   1664.58  45902.72   2357.18  47525.99   2350.99  290.150 7.5007  295.275 7.3511  -5.125275      10.50231  
1 1 1 -14 30  16 o 27.944  6.0511  441.440    177.842  614.444    268.755  306.672    237.204  32.895  7.6823  24.151  7.8855  8.743889       11.00906  
1 1 1 -14 30  17 o 58.387  3.5409  1856.94    222.862  2326.65    322.472  1427.47    308.352  65.267  4.5910  50.886  5.6922  14.38087       7.312885  
1 1 1 -14 30  18 o 46.938  3.8937  1205.31    196.165  1280.72    295.729  1146.06    262.136  48.113  5.7912  45.539  5.4211  2.573811       7.932640  
1 1 1 -14 30  19 o 74.220  3.1687  2991.62    254.728  3323.01    367.667  2685.71    353.245  78.004  4.3694  70.053  4.6826  7.950699       6.404544  
1 1 1 -14 30  20 o 177.014 3.6231  17048.87   694.635  18042.83   1390.74  16718.48   801.813  180.901 7.0980  175.142 4.2268  5.758759       8.261209  
1 1 1 -14 30  21 o 63.015  3.4888  2168.46    237.189  1863.57    469.782  2272.77    274.785  57.434  7.7498  64.443  3.9560  -7.008667      8.701090  
1 1 1 -14 30  22 o 87.239  3.1407  4142.41    296.758  3196.14    588.452  4465.14    343.659  75.479  7.2887  90.517  3.5053  -15.03806      8.087765  
1 1 1 -14 30  23 o 49.004  4.0885  1322.87    215.022  830.723    425.918  1491.21    249.096  37.336  10.230  51.967  4.4690  -14.63124      11.16327  
1 1 1 -14 30  24 o 86.059  3.2534  4041.60    303.251  4188.42    623.638  3996.14    347.043  86.306  6.7245  85.468  3.7490  0.8388138      7.698950  
1 1 1 -14 30  25 o 70.723  3.4941  2737.41    267.654  2982.31    556.656  2663.77    305.256  72.290  7.2055  69.522  4.0717  2.768013       8.276371  
1 1 1 -14 30  26 o 75.136  3.4352  3094.55    279.557  3273.98    582.813  3040.93    318.601  75.461  7.2188  74.230  3.9772  1.231499       8.241953  
1 1 1 -14 30  27 o 30.111  6.6446  535.342    210.895  543.424    459.099  533.180    237.428  30.551  10.940  29.845  7.3851  0.7052631      13.19911  
1 1 1 -14 30  28 o 14.812  6.5100  -29.4028   201.579  -164.5130  443.615  5.7537     226.290  20.118  9.1786  16.285  7.0297  3.833139       11.56127  
1 1 1 -14 30  29 o 4.1155  2.0202  -62.5494   30.958   -62.0578   31.238   -89.5692   231.579  4.1560  2.0379  14.756  6.6933  -10.60016      6.996659  
1 1 1 -14 30  30 o 32.160  1.4111  563.033    49.153   572.314    49.793   209.317    307.395  32.423  1.4179  21.185  8.5926  11.23779       8.708777  
1 1 1 -14 30  31 o 19.873  8.5391  122.660    330.885  129.337    521.885  118.172    427.878  22.773  10.213  21.391  9.4397  1.381945       13.90734  
1 1 1 -14 30  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 31  1  f 243.390 5.1838  32134.96   1366.52  32239.70   1496.91  31611.09   3347.73  243.746 5.6701  240.007 12.926  3.738556       14.11482  
1 1 1 -14 31  2  f 205.949 4.1201  22994.53   919.053  22758.95   999.793  24278.86   2334.45  204.870 4.5057  211.045 10.213  -6.174805      11.16244  
1 1 1 -14 31  3  o 194.919 3.8182  20594.40   806.085  20809.00   928.493  19937.67   1624.26  195.904 4.3759  191.503 7.8309  4.400574       8.970568  
1 1 1 -14 31  4  o 255.969 4.6205  35531.06   1280.98  34869.78   1477.12  37536.91   2572.60  253.514 5.3795  262.586 9.0454  -9.072617      10.52421  
1 1 1 -14 31  5  o 336.441 5.8193  61435.34   2120.57  60099.25   2446.94  65465.69   4249.89  332.629 6.7919  346.235 11.333  -13.60587      13.21219  
1 1 1 -14 31  6  o 237.469 4.6139  30582.90   1186.70  31381.86   1284.58  25931.35   3099.53  240.526 4.9309  217.148 13.242  23.37839       14.13019  
1 1 1 -14 31  7  o 153.377 3.2660  12749.22   542.563  12420.20   624.613  13760.60   1095.10  151.365 3.8099  159.180 6.3518  -7.815491      7.406771  
1 1 1 -14 31  8  o 112.224 2.9070  6824.59    353.350  7108.18    409.097  5991.54    701.157  114.522 3.2981  104.856 6.2014  9.665871       7.023857  
1 1 1 -14 31  9  o 74.733  2.9379  3026.52    237.801  2846.52    270.726  3634.48    497.533  72.467  3.4492  81.629  5.6624  -9.161293      6.630236  
1 1 1 -14 31  10 o 64.991  2.9147  2288.96    205.173  2145.47    431.331  2330.92    233.251  62.508  6.4643  65.495  3.2987  -2.986786      7.257334  
1 1 1 -14 31  11 o 179.945 3.3554  17552.10   653.975  18033.81   813.044  16669.26   1100.69  182.355 4.1165  175.199 5.8005  7.156372       7.112737  
1 1 1 -14 31  12 o 70.206  2.5995  2670.87    197.666  2969.14    330.689  2505.06    246.561  73.871  4.1499  67.978  3.3488  5.893089       5.332534  
1 1 1 -14 31  13 o 104.207 3.0104  5886.09    339.777  5592.38    476.228  6190.63    484.926  101.525 4.3308  106.824 4.1912  -5.298729      6.026793  
1 1 1 -14 31  14 o 25.320  1.0308  347.239    28.268   199.335    240.568  349.310    28.466   21.465  7.8857  25.396  1.0349  -3.931051      7.953334  
1 1 1 -14 31  15 o 106.254 3.0445  6121.25    350.369  5994.41    501.124  6242.56    490.055  105.081 4.4030  107.244 4.2189  -2.163635      6.098014  
1 1 1 -14 31  16 o 234.486 4.3863  29861.14   1114.01  28549.73   1577.41  31166.04   1573.49  228.921 6.3619  239.243 6.0723  -10.32263      8.794727  
1 1 1 -14 31  17 o 86.341  3.1171  4044.28    291.504  3964.39    414.470  4122.48    410.061  85.285  4.5029  87.099  4.3467  -1.814613      6.258632  
1 1 1 -14 31  18 o 88.803  3.0310  4279.75    291.525  4608.12    424.946  3987.81    400.681  92.051  4.2622  85.516  4.3402  6.534599       6.083040  
1 1 1 -14 31  19 o 88.493  3.0775  4252.74    294.971  3979.17    424.570  4508.00    410.111  85.329  4.6110  91.005  4.1607  -5.675896      6.210684  
1 1 1 -14 31  20 o 99.717  2.9214  5402.11    315.525  6351.27    667.364  5128.86    358.074  107.485 5.7534  97.107  3.4045  10.37750       6.685197  
1 1 1 -14 31  21 o 50.350  2.4774  1376.69    135.104  1232.58    157.765  1773.05    261.638  47.507  3.0827  56.827  4.2823  -9.320007      5.276474  
1 1 1 -14 31  22 o 100.517 2.9634  5497.08    322.629  6018.90    570.205  5251.35    391.287  104.727 5.0269  98.122  3.6818  6.605019       6.231017  
1 1 1 -14 31  23 o 55.450  2.4495  1671.49    147.115  1621.69    178.667  1776.35    259.255  54.478  3.0401  56.794  4.2453  -2.315262      5.221557  
1 1 1 -14 31  24 o 36.971  1.3967  741.285    55.930   765.800    57.584   332.642    235.099  37.577  1.4149  24.417  7.8404  13.15914       7.967083  
1 1 1 -14 31  25 o 27.817  1.8652  422.202    55.871   415.569    57.480   535.674    237.749  27.588  1.9359  30.163  7.3458  -2.574331      7.596566  
1 1 1 -14 31  26 o 87.591  2.8688  4190.92    272.168  4596.42    427.405  3914.34    352.990  91.233  4.3253  84.357  3.8634  6.875832       5.799528  
1 1 1 -14 31  27 o 48.796  2.2437  1297.40    118.583  1311.56    133.221  1243.34    260.206  48.959  2.5209  46.883  5.2125  2.075943       5.790082  
1 1 1 -14 31  28 o 39.104  1.5257  831.041    64.622   860.914    67.052   441.246    242.208  39.798  1.5555  26.936  7.8326  12.86253       7.985540  
1 1 1 -14 31  29 o 68.415  3.7529  2617.45    277.029  2889.36    607.601  2546.10    311.264  67.804  8.4575  67.142  4.3028  0.6617737      9.489117  
1 1 1 -14 31  30 o 47.100  7.3614  1390.86    363.244  1896.33    557.405  1017.75    478.895  52.041  10.254  36.815  11.094  15.22605       15.10648  
1 1 1 -14 31  31 o 37.698  8.8653  978.937    355.901  941.285    551.503  1005.81    465.896  33.528  11.992  35.944  10.967  -2.416119      16.25041  
1 1 1 -14 31  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 32  1  o 260.053 4.6323  36674.18   1304.74  36608.88   1504.21  36872.59   2621.97  259.762 5.3464  260.214 9.3031  -0.4517822     10.72992  
1 1 1 -14 32  2  o 117.174 2.8414  7439.28    360.603  7488.19    411.733  7278.25    747.147  117.550 3.2339  115.643 5.9856  1.907402       6.803333  
1 1 1 -14 32  3  o 281.182 5.2735  42893.85   1606.03  41241.56   1729.40  53250.94   4329.84  275.663 5.7923  311.929 12.816  -36.26624      14.06395  
1 1 1 -14 32  4  f 433.710 7.4687  102239.50  3508.43  102459.70  4049.71  101577.20  7024.53  433.915 8.6168  429.904 15.086  4.011444       17.37353  
1 1 1 -14 32  5  o 316.752 5.9154  54462.66   2029.44  55588.96   2179.82  47134.11   5560.32  319.962 6.2900  291.465 17.697  28.49631       18.78171  
1 1 1 -14 32  6  o 209.817 4.0043  23867.18   909.987  23806.57   1049.48  24050.79   1826.70  209.512 4.6248  210.274 8.0207  -0.7619324     9.258526  
1 1 1 -14 32  7  o 99.357  2.8048  5349.12    301.841  5235.11    345.796  5714.02    618.626  98.283  3.2484  102.453 5.5960  -4.169983      6.470505  
1 1 1 -14 32  8  o 248.148 4.8005  33403.79   1290.24  33801.66   1394.96  31048.16   3394.22  249.589 5.1602  237.562 13.244  12.02718       14.21393  
1 1 1 -14 32  9  o 169.639 3.5136  15599.11   645.568  15764.33   743.563  15093.26   1301.03  170.509 4.0262  166.613 7.2095  3.896667       8.257610  
1 1 1 -14 32  10 o 489.824 11.692  131357.80  6202.83  128289.90  8770.07  134428.59  8774.17  481.284 16.824  492.914 16.435  -11.63062      23.51920  
1 1 1 -14 32  11 o 114.017 2.9697  7045.45    366.732  7195.89    521.972  6898.79    515.365  115.186 4.1839  112.781 4.2190  2.404335       5.941776  
1 1 1 -14 32  12 o 160.004 3.4389  13879.66   595.970  13457.80   841.718  14303.75   843.943  157.462 4.9354  162.346 4.7996  -4.883453      6.884304  
1 1 1 -14 32  13 o 74.749  3.0584  3028.72    247.610  2849.29    349.540  3209.46    350.810  72.323  4.4843  76.797  4.2339  -4.474037      6.167274  
1 1 1 -14 32  14 o 92.416  3.0459  4630.01    304.879  4436.09    443.850  4803.24    419.508  90.288  4.5534  94.088  4.1166  -3.800461      6.138370  
1 1 1 -14 32  15 o 80.964  3.0714  3554.31    269.342  3637.57    389.398  3477.94    372.948  81.735  4.4150  79.925  4.3243  1.809700       6.179914  
1 1 1 -14 32  16 o 111.048 3.0482  6687.80    366.621  6527.99    531.706  6832.64    506.195  109.622 4.4782  112.174 4.1664  -2.552071      6.116611  
1 1 1 -14 32  17 o 36.429  4.7386  733.755    182.541  746.626    280.007  724.242    240.728  36.301  7.3733  35.897  6.4276  0.4039497      9.781583  
1 1 1 -14 32  18 f 110.890 3.0332  6674.09    364.308  7418.46    527.303  5994.29    503.911  116.794 4.1684  104.958 4.4327  11.83660       6.084774  
1 1 1 -14 32  19 o 5.6324  2.6150  -34.2516   38.277   -52.0281   38.838   567.993    226.058  5.2007  2.4805  31.570  6.8112  -26.36890      7.248777  
1 1 1 -14 32  20 o 113.298 3.5568  6985.69    436.474  6151.56    755.369  7403.79    534.790  105.483 6.6456  116.521 4.2375  -11.03771      7.881640  
1 1 1 -14 32  21 o 76.345  3.1914  3171.38    263.896  2749.80    526.515  3312.81    304.967  70.134  7.0257  77.978  3.6109  -7.843445      7.899296  
1 1 1 -14 32  22 o 58.879  3.5612  1897.09    226.035  2315.05    454.943  1760.10    260.457  64.304  6.6270  56.572  4.2825  7.732475       7.890287  
1 1 1 -14 32  23 o 63.467  3.4539  2204.59    236.532  1921.26    472.332  2299.43    273.264  58.010  7.7084  64.726  3.9164  -6.715645      8.646213  
1 1 1 -14 32  24 o 107.911 3.2537  6356.82    380.289  6466.58    757.294  6319.81    439.757  107.369 6.5432  107.448 3.7787  -0.7901001E-01 7.555955  
1 1 1 -14 32  25 o 55.155  4.0471  1680.63    240.080  1875.98    496.224  1620.93    274.324  56.598  8.3453  53.963  4.7416  2.634144       9.598240  
1 1 1 -14 32  26 o 21.171  7.3251  238.548    204.555  882.812    435.208  55.861     231.749  37.587  10.358  17.553  7.3236  20.03367       12.68563  
1 1 1 -14 32  27 o 43.169  4.9981  1052.81    229.369  1056.28    499.149  1051.88    258.250  40.450  11.071  42.889  5.7005  -2.439178      12.45211  
1 1 1 -14 32  28 o 41.008  5.2728  963.714    228.772  1525.09    519.117  828.412    254.854  48.643  10.180  37.442  6.5214  11.20111       12.08974  
1 1 1 -14 32  29 o 34.062  6.4203  702.199    228.171  681.952    519.760  707.032    253.950  31.254  11.572  33.770  7.1648  -2.516493      13.61037  
1 1 1 -14 32  30 o 14.160  6.8196  -361.1790  309.875  -746.5640  493.192  -109.8100  398.313  16.240  7.9901  18.684  8.5887  -2.443943      11.73060  
1 1 1 -14 32  31 o 25.291  10.279  407.720    440.878  0.0000     0.0000   407.720    440.878  ?       ?       25.291  10.279  0.000000       10.27869  
1 1 1 -14 32  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 33  1  o 162.255 3.4045  14268.12   598.304  14327.83   660.295  13994.18   1414.34  162.581 3.7497  160.195 8.1787  2.386780       8.997313  
1 1 1 -14 33  2  o 169.401 3.3682  15552.26   617.997  16090.22   710.398  13878.41   1253.10  172.288 3.8069  159.811 7.2395  12.47713       8.179426  
1 1 1 -14 33  3  o 186.702 3.8401  18895.70   776.530  19148.65   894.126  18119.32   1566.45  187.920 4.3930  182.538 7.9231  5.382080       9.059441  
1 1 1 -14 33  4  o 153.210 3.2233  12720.99   534.880  12283.57   614.500  14088.48   1086.52  150.534 3.7689  161.082 6.2276  -10.54759      7.279266  
1 1 1 -14 33  5  o 467.754 8.4928  119072.20  4302.66  117846.40  4597.92  127707.80  12203.63 465.163 9.1261  476.593 23.641  -11.42969      25.34160  
1 1 1 -14 33  6  o 164.488 3.4259  14664.40   610.342  14897.22   703.323  13954.34   1228.26  165.768 3.9173  160.241 7.0769  5.526199       8.088758  
1 1 1 -14 33  7  o 104.589 2.9049  5927.59    329.069  6111.82    378.488  5357.05    666.058  106.193 3.2907  99.125  6.2356  7.067574       7.050599  
1 1 1 -14 33  8  o 121.589 3.0207  8011.71    397.807  7853.61    455.381  8521.06    817.356  120.369 3.4929  125.267 6.0243  -4.897842      6.963629  
1 1 1 -14 33  9  o 281.581 5.0513  43023.68   1540.56  42167.38   1777.92  45603.81   3086.17  278.665 5.8906  289.097 9.8561  -10.43246      11.48224  
1 1 1 -14 33  10 o 206.080 5.6692  23059.28   1265.39  22231.21   1791.03  23884.60   1788.05  202.061 8.1837  209.481 7.8807  -7.420395      11.36127  
1 1 1 -14 33  11 o 157.753 3.3843  13490.59   578.257  13296.17   816.800  13685.95   818.761  156.532 4.8177  158.814 4.7599  -2.281631      6.772539  
1 1 1 -14 33  12 o 130.252 3.1473  9196.46    444.009  8994.59    627.425  9398.98    628.423  128.752 4.4992  131.619 4.4082  -2.867569      6.298850  
1 1 1 -14 33  13 o 125.237 3.1107  8502.36    421.955  8823.07    597.418  8183.10    596.052  127.517 4.3255  122.797 4.4815  4.720444       6.228517  
1 1 1 -14 33  14 o 74.203  3.0876  2985.16    248.147  2959.20    358.751  3008.98    343.605  73.696  4.5163  74.337  4.2858  -0.6417465     6.226118  
1 1 1 -14 33  15 o 212.427 4.0918  24492.84   941.437  24219.93   1333.72  24763.85   1329.08  210.994 5.8361  213.364 5.7512  -2.370132      8.193690  
1 1 1 -14 33  16 o 281.343 5.0766  43045.36   1546.97  41676.35   2191.66  44404.64   2183.85  276.210 7.3260  285.193 7.0699  -8.982239      10.18104  
1 1 1 -14 33  17 o 80.846  3.1456  3546.72    275.446  3280.20    414.526  3757.43    368.586  77.477  4.9660  83.155  4.0924  -5.678421      6.434964  
1 1 1 -14 33  18 o 201.065 4.1826  21990.60   910.870  21637.73   1378.89  22263.79   1213.28  198.856 6.4020  201.972 5.5462  -3.115738      8.470350  
1 1 1 -14 33  19 o 86.651  3.1691  4079.36    297.429  4980.65    462.993  3446.05    388.103  95.592  4.4718  79.380  4.5328  16.21239       6.367384  
1 1 1 -14 33  20 o 130.085 3.2872  9203.74    463.150  9402.76    672.210  9023.88    639.034  131.182 4.7311  128.545 4.5899  2.636597       6.591669  
1 1 1 -14 33  21 f 99.997  3.0942  5439.73    335.127  5743.88    669.853  5338.19    387.049  101.922 6.0959  98.979  3.6104  2.943657       7.084813  
1 1 1 -14 33  22 o 36.491  2.2078  725.714    86.848   674.115    93.996   1026.79    227.052  35.134  2.4861  42.974  4.9698  -7.839760      5.556972  
1 1 1 -14 33  23 o 49.270  2.1828  1318.79    116.488  1343.62    132.927  1236.60    241.819  49.710  2.4688  47.197  4.7972  2.513405       5.395173  
1 1 1 -14 33  24 o 19.003  7.1502  155.932    200.016  558.069    415.846  34.899     228.139  31.253  10.451  17.178  7.2233  14.07460       12.70448  
1 1 1 -14 33  25 f 22.976  7.3273  297.460    205.602  915.386    427.644  111.686    234.480  38.598  10.109  18.830  7.5510  19.76842       12.61791  
1 1 1 -14 33  26 o 52.044  2.6365  1481.83    148.135  1983.58    516.539  1436.87    154.630  57.789  8.5071  51.214  2.7982  6.574844       8.955485  
1 1 1 -14 33  27 o 44.459  2.0763  1076.27    99.981   1099.01    512.981  1075.37    101.936  41.133  11.209  44.436  2.1180  -3.302753      11.40707  
1 1 1 -14 33  28 o 65.400  2.7787  2345.53    196.830  2624.19    589.153  2310.52    208.829  65.499  8.5055  64.852  2.9730  0.6470413      9.010102  
1 1 1 -14 33  29 o 38.026  5.8267  858.454    232.328  170.847    525.414  1025.57    259.027  24.209  10.578  41.564  5.9213  -17.35467      12.12271  
1 1 1 -14 33  30 o 25.326  9.2529  413.645    330.556  -102.6368  515.561  774.026    430.743  20.934  9.6762  32.409  10.628  -11.47435      14.37327  
1 1 1 -14 33  31 f 27.363  10.577  543.312    445.303  0.0000     0.0000   543.312    445.303  ?       ?       27.363  10.577  0.000000       10.57657  
1 1 1 -14 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 34  1  o 166.857 3.3809  15089.19   611.007  15479.68   702.128  13870.84   1240.22  168.984 3.8362  159.765 7.1672  9.219254       8.129236  
1 1 1 -14 34  2  o 325.413 6.6488  57517.45   2343.42  57307.80   2551.37  58648.53   5926.19  324.727 7.2541  325.572 16.864  -0.8443298     18.35764  
1 1 1 -14 34  3  o 273.838 4.8727  40674.66   1445.21  39602.77   1666.53  43925.52   2902.25  270.126 5.6961  283.945 9.4369  -13.81894      11.02273  
1 1 1 -14 34  4  o 472.214 8.6408  121374.50  4419.43  122919.10  4722.02  110468.70  12547.37 475.055 9.1773  440.592 26.415  34.46304       27.96403  
1 1 1 -14 34  5  o 408.399 7.0515  90637.77   3119.17  91569.98   3600.37  87832.84   6245.30  410.267 8.1023  399.843 14.421  10.42447       16.54120  
1 1 1 -14 34  6  o 172.414 3.5238  16112.74   658.042  16056.28   758.080  16285.29   1325.36  172.086 4.0672  173.104 7.0690  -1.017090      8.155570  
1 1 1 -14 34  7  o 341.883 5.9555  63463.29   2205.29  64272.96   2545.43  61026.41   4415.94  343.915 6.8334  333.869 12.212  10.04639       13.99364  
1 1 1 -14 34  8  f 109.726 2.9602  6524.57    351.809  5927.09    408.896  8227.42    690.305  104.565 3.6104  123.132 5.1761  -18.56683      6.310861  
1 1 1 -14 34  9  o 140.913 3.2095  10762.05   489.841  10052.08   563.072  12971.39   993.287  136.163 3.8180  154.550 5.9338  -18.38750      7.056029  
1 1 1 -14 34  10 o 101.065 4.2403  5539.85    464.158  5915.57    647.547  5142.80    665.666  104.213 5.7593  97.079  6.3661  7.133682       8.584671  
1 1 1 -14 34  11 o 73.478  3.0121  2926.25    239.714  2631.12    336.449  3230.54    341.622  69.495  4.4939  77.068  4.1074  -7.572655      6.088215  
1 1 1 -14 34  12 o 223.177 4.2193  27020.98   1019.91  25358.89   1441.44  28687.36   1443.30  215.990 6.1616  229.777 5.7994  -13.78682      8.461553  
1 1 1 -14 34  13 o 159.603 3.4755  13812.77   600.798  13420.11   850.179  14204.46   849.137  157.212 4.9929  161.753 4.8468  -4.541275      6.958509  
1 1 1 -14 34  14 o 65.843  3.3135  2356.85    235.545  2110.47    330.806  2610.21    335.465  62.138  4.9565  69.195  4.5006  -7.056862      6.694983  
1 1 1 -14 34  15 o 241.567 4.4860  31691.81   1173.72  31153.87   1662.76  32226.04   1657.03  239.154 6.4192  243.262 6.2890  -4.108704      8.986584  
1 1 1 -14 34  16 o 33.352  5.0772  618.715    177.623  774.924    273.624  504.949    233.511  37.065  7.0738  29.813  7.2918  7.252352       10.15923  
1 1 1 -14 34  17 o 190.332 3.8042  19679.26   784.238  19791.63   1114.08  19568.88   1104.14  190.576 5.3973  189.504 5.3794  1.071594       7.620341  
1 1 1 -14 34  18 o 46.462  3.8706  1181.79    193.007  1158.07    294.995  1199.55    255.214  45.619  6.1251  46.623  5.1394  -1.003696      7.995615  
1 1 1 -14 34  19 o 128.957 3.2294  9037.69    451.056  9348.99    657.375  8760.76    620.039  130.915 4.6361  126.753 4.5164  4.162102       6.472353  
1 1 1 -14 34  20 o 104.758 3.2547  5969.12    369.292  5724.41    553.271  6165.74    495.935  102.287 4.9940  106.296 4.3076  -4.008514      6.595129  
1 1 1 -14 34  21 o 138.786 3.2772  10485.24   492.626  10109.93   982.704  10611.21   569.329  135.171 6.7122  139.502 3.7680  -4.330429      7.697541  
1 1 1 -14 34  22 o 33.248  5.4342  623.781    188.926  835.397    377.304  552.970    218.258  37.633  9.3082  30.989  6.6980  6.644199       11.46761  
1 1 1 -14 34  23 o 43.669  4.4456  1056.78    207.333  934.333    442.447  1091.23    234.697  39.438  10.260  44.256  4.9830  -4.817352      11.40618  
1 1 1 -14 34  24 o 18.268  7.0792  127.043    199.892  -238.0946  428.510  228.598    225.987  19.601  8.9727  21.445  7.6757  -1.844042      11.80784  
1 1 1 -14 34  25 o 61.345  3.8530  2074.61    254.709  2139.25    542.931  2056.37    288.417  60.316  8.5502  60.911  4.4013  -0.5958748     9.616567  
1 1 1 -14 34  26 o 23.085  1.2641  289.977    31.486   295.379    31.780   1.8710     232.074  23.299  1.2641  16.555  7.1329  6.744017       7.244012  
1 1 1 -14 34  27 f 43.221  5.0357  1057.56    231.317  979.331    507.712  1078.05    259.853  38.714  11.364  43.402  5.6628  -4.687424      12.69667  
1 1 1 -14 34  28 o 38.892  5.6590  878.674    231.388  1294.36    511.790  771.872    259.416  43.942  10.824  35.820  6.9372  8.122013       12.85650  
1 1 1 -14 34  29 o 13.840  6.3211  -95.6230   211.085  258.850    482.669  -179.4511  234.722  24.571  10.428  13.604  6.3686  10.96658       12.21923  
1 1 1 -14 34  30 o 22.121  8.9452  247.264    332.064  204.858    501.730  280.318    442.959  23.695  10.346  23.954  10.068  -0.2583408     14.43634  
1 1 1 -14 34  31 o 20.761  9.2752  80.751     426.092  0.0000     0.0000   80.751     426.092  ?       ?       20.761  9.2752  0.000000       9.275215  
1 1 1 -14 34  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 35  1  o 110.238 2.7943  6584.63    333.631  6631.30    379.904  6427.30    697.538  110.619 3.1708  108.649 5.9501  1.970413       6.742284  
1 1 1 -14 35  2  o 178.929 3.5886  17353.30   695.468  17191.65   799.508  17856.00   1409.88  178.067 4.1454  181.263 7.1813  -3.195557      8.291909  
1 1 1 -14 35  3  o 132.959 3.1487  9580.18    453.445  9891.44    519.796  8589.12    927.522  135.089 3.5526  125.550 6.8467  9.539360       7.713478  
1 1 1 -14 35  4  o 140.054 3.2359  10630.31   490.869  10807.79   563.295  10070.21   1000.69  141.203 3.6832  136.146 6.7862  5.057114       7.721283  
1 1 1 -14 35  5  o 255.785 4.5861  35484.41   1270.55  34802.60   1465.11  37552.34   2551.55  253.249 5.3414  262.581 8.9716  -9.332504      10.44127  
1 1 1 -14 35  6  o 121.585 2.9255  8010.62    385.253  7500.40    442.547  9607.28    782.865  117.634 3.4734  133.050 5.4325  -15.41652      6.448005  
1 1 1 -14 35  7  o 134.511 3.1123  9805.52    453.433  9572.97    521.678  10524.01   916.967  132.889 3.6245  139.210 6.0815  -6.320831      7.079665  
1 1 1 -14 35  8  o 438.973 8.0327  104876.50  3819.15  104932.20  4083.79  104488.50  10784.68 438.932 8.5900  429.799 23.254  9.133057       24.78947  
1 1 1 -14 35  9  o 207.026 3.5572  23234.42   797.638  22762.69   1029.87  23941.58   1260.94  204.841 4.6419  210.001 5.5438  -5.160065      7.230540  
1 1 1 -14 35  10 o 196.390 5.4862  20941.01   1166.97  21651.68   1645.95  20222.70   1654.79  199.457 7.6190  192.723 7.9275  6.733627       10.99521  
1 1 1 -14 35  11 o 201.909 3.9233  22108.99   857.981  21264.10   1210.05  22963.22   1216.72  197.863 5.6463  205.635 5.4629  -7.772598      7.856485  
1 1 1 -14 35  12 o 294.633 5.2263  47140.39   1667.81  45799.64   2357.91  48482.79   2359.36  289.990 7.5071  298.410 7.2998  -8.419403      10.47111  
1 1 1 -14 35  13 o 84.066  2.7482  3830.41    250.228  3910.96    390.084  3774.09    326.181  84.897  4.2422  83.421  3.6100  1.476082       5.570364  
1 1 1 -14 35  14 o 81.259  3.0401  3580.09    267.566  3479.77    383.002  3675.73    373.952  79.937  4.4412  82.186  4.2151  -2.248909      6.122999  
1 1 1 -14 35  15 o 72.363  3.1177  2839.89    244.357  2684.79    357.476  2975.91    334.784  70.136  4.7335  73.914  4.1992  -3.778564      6.327655  
1 1 1 -14 35  16 o 80.717  3.0436  3534.26    266.087  3461.58    388.862  3598.26    364.888  79.676  4.5247  81.281  4.1587  -1.605148      6.145575  
1 1 1 -14 35  17 o 191.812 3.8288  19990.82   795.435  20276.57   1129.43  19709.59   1120.45  192.862 5.4068  190.138 5.4407  2.723404       7.670406  
1 1 1 -14 35  18 o 88.115  2.9941  4215.42    285.754  4489.28    418.069  3975.29    391.475  90.815  4.2503  85.461  4.2293  5.354767       5.995987  
1 1 1 -14 35  19 o 18.627  6.7250  160.116    173.870  142.277    287.889  170.359    218.149  21.264  8.4192  20.049  7.4822  1.215376       11.26349  
1 1 1 -14 35  20 o 97.923  3.2391  5216.21    343.547  4982.23    498.356  5428.09    474.239  95.320  4.8430  99.706  4.3914  -4.385712      6.537533  
1 1 1 -14 35  21 o 72.547  3.3201  2865.83    260.882  2329.94    502.719  3063.33    305.194  64.355  7.3438  74.853  3.7766  -10.49785      8.257969  
1 1 1 -14 35  22 o 38.653  4.7614  831.896    195.124  1133.57    390.378  731.426    225.285  44.154  8.4711  35.913  6.0038  8.241291       10.38288  
1 1 1 -14 35  23 o 61.180  2.3105  2034.44    153.102  2249.89    189.105  1624.56    260.836  64.293  2.7156  54.219  4.4818  10.07311       5.240355  
1 1 1 -14 35  24 o 51.898  4.2405  1489.53    236.283  1342.44    502.293  1531.32    267.758  47.079  10.149  52.486  4.7619  -5.406944      11.21088  
1 1 1 -14 35  25 o 14.354  6.4042  -68.1546   202.390  298.872    447.113  -162.7388  226.975  26.647  10.511  13.951  6.4385  12.69611       12.32587  
1 1 1 -14 35  26 o 35.034  6.0550  709.720    221.451  298.449    482.420  819.520    249.266  26.931  10.820  37.598  6.3471  -10.66627      12.54412  
1 1 1 -14 35  27 o 23.993  7.4449  337.879    213.658  131.313    477.432  389.607    238.917  24.284  10.341  25.597  7.8612  -1.312819      12.98970  
1 1 1 -14 35  28 o 24.468  1.6251  327.181    42.822   328.964    43.501   271.431    243.273  24.532  1.6467  22.158  7.9603  2.373936       8.128877  
1 1 1 -14 35  29 o 63.786  2.7833  2244.96    192.291  2325.00    223.156  2014.13    378.944  64.729  3.1830  58.169  6.1058  6.559570       6.885635  
1 1 1 -14 35  30 o 21.147  1.8484  246.282    41.910   246.061    42.093   271.519    450.188  21.136  1.8576  23.868  10.097  -2.731863      10.26677  
1 1 1 -14 35  31 o 29.726  11.057  700.878    475.582  0.0000     0.0000   700.878    475.582  ?       ?       29.726  11.057  0.000000       11.05666  
1 1 1 -14 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 36  1  f 52.910  2.1250  1516.54    121.778  1550.23    128.785  1231.99    374.289  53.494  2.2228  47.009  7.6113  6.484505       7.929247  
1 1 1 -14 36  2  o 47.233  2.7882  1213.05    142.008  1234.94    155.340  1101.73    350.360  47.642  3.0261  44.405  7.5553  3.236832       8.138777  
1 1 1 -14 36  3  o 117.339 2.8789  7460.68    365.876  7259.86    417.772  8121.70    757.958  115.738 3.3327  122.322 5.7210  -6.584526      6.620897  
1 1 1 -14 36  4  o 299.492 5.3115  48671.92   1722.94  48545.50   1987.57  49054.09   3455.83  299.003 6.1373  299.766 10.644  -0.7624817     12.28653  
1 1 1 -14 36  5  o 143.376 3.1391  11140.34   487.480  10943.28   559.845  11758.21   991.329  142.084 3.6379  147.145 6.2202  -5.060623      7.205886  
1 1 1 -14 36  6  o 58.106  2.9227  1834.22    183.354  1737.04    208.214  2169.86    386.939  56.507  3.4181  62.963  5.7369  -6.455978      6.677977  
1 1 1 -14 36  7  o 125.146 3.0657  8487.64    415.542  9176.81    478.291  6365.88    839.221  130.117 3.3938  107.967 7.2181  22.14997       7.976143  
1 1 1 -14 36  8  o 63.677  2.3872  2196.86    164.640  2126.06    239.508  2260.29    226.692  62.525  3.5513  64.495  3.2557  -1.970463      4.817823  
1 1 1 -14 36  9  f 161.415 3.4418  14123.90   601.725  13561.38   854.667  14676.78   847.315  158.083 4.9916  164.471 4.7565  -6.388123      6.894955  
1 1 1 -14 36  10 o 64.007  4.6421  2234.52    319.633  1889.13    436.615  2633.38    469.199  58.520  7.0291  69.327  6.3180  -10.80626      9.451221  
1 1 1 -14 36  11 f 147.562 3.3458  11804.76   534.752  11659.73   761.441  11945.90   751.171  146.570 4.7964  148.366 4.6745  -1.795944      6.697510  
1 1 1 -14 36  12 o 161.572 3.4477  14154.78   603.340  13502.56   849.028  14820.13   857.539  157.702 4.9707  165.232 4.7917  -7.529968      6.904176  
1 1 1 -14 36  13 o 172.265 3.7650  16096.89   702.478  16200.93   950.607  15971.73   1042.67  172.705 5.0819  171.423 5.6158  1.282272       7.573809  
1 1 1 -14 36  14 o 48.809  3.8776  1300.80    203.301  1089.56    304.261  1471.18    273.255  44.261  6.5441  51.806  4.9293  -7.545177      8.192906  
1 1 1 -14 36  15 o 106.653 3.0119  6168.83    347.920  6231.14    499.955  6110.31    484.475  107.111 4.3095  106.074 4.2169  1.037079       6.029404  
1 1 1 -14 36  16 o 111.951 3.0748  6799.61    372.833  6557.98    529.939  7036.42    524.632  109.835 4.4547  113.790 4.2568  -3.954727      6.161498  
1 1 1 -14 36  17 o 130.731 3.2266  9278.43    456.867  8704.17    659.147  9809.39    633.813  126.429 4.8135  134.283 4.3578  -7.853447      6.493131  
1 1 1 -14 36  18 f 85.644  3.0550  3983.35    283.390  4216.66    423.525  3794.21    381.336  87.866  4.4649  83.373  4.2368  4.493301       6.155203  
1 1 1 -14 36  19 o 169.388 3.7212  15618.15   682.701  14805.15   1026.97  16261.92   913.864  164.331 5.7699  172.523 4.8906  -8.191742      7.563743  
1 1 1 -14 36  20 o 61.201  3.8076  2049.14    251.143  2394.68    366.612  1743.61    344.737  65.912  5.1770  56.051  5.7605  9.861404       7.744952  
1 1 1 -14 36  21 o 78.720  3.1509  3372.98    268.655  2738.41    531.115  3591.18    311.437  69.875  7.1171  81.172  3.5424  -11.29668      7.949900  
1 1 1 -14 36  22 o 51.332  3.8606  1447.91    213.068  1339.79    421.238  1485.08    246.994  48.100  8.3908  51.871  4.4391  -3.771454      9.492718  
1 1 1 -14 36  23 o 20.374  7.0294  214.004    188.311  23.400     434.656  258.046    208.938  22.797  9.7911  22.003  7.4079  0.7942181      12.27770  
1 1 1 -14 36  24 o 45.143  4.7107  1135.60    226.935  1118.94    485.229  1140.26    256.744  42.722  10.549  45.051  5.3674  -2.328972      11.83621  
1 1 1 -14 36  25 o 83.410  3.3727  3810.15    304.697  3954.26    633.794  3766.82    347.488  83.136  7.1069  82.786  3.8753  0.3500595      8.094832  
1 1 1 -14 36  26 o 35.226  6.0605  717.742    222.889  910.202    486.406  666.588    250.766  37.768  11.133  33.551  7.1210  4.217209       13.21591  
1 1 1 -14 36  27 o 40.303  1.6824  883.143    73.440   212.495    491.444  898.461    74.274   25.499  10.654  40.651  1.6869  -15.15163      10.78674  
1 1 1 -14 36  28 o 24.971  1.5837  340.625    42.612   646.852    486.488  338.257    42.777   31.267  11.254  24.882  1.5957  6.384916       11.36695  
1 1 1 -14 36  29 o 18.044  7.6709  76.423     261.923  11.613     488.992  102.499    310.171  21.767  9.8131  19.556  8.3314  2.210947       12.87280  
1 1 1 -14 36  30 o 16.011  2.0002  142.506    33.931   143.315    34.025   -2.7952    456.057  16.057  1.9997  20.719  9.3961  -4.661795      9.606562  
1 1 1 -14 36  31 o 37.585  11.355  1150.70    501.273  0.0000     0.0000   1150.70    501.273  ?       ?       37.585  11.355  0.000000       11.35520  
1 1 1 -14 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 37  1  o 159.986 3.2533  13871.75   563.733  13551.80   646.788  14883.09   1149.92  158.110 3.7769  165.536 6.4136  -7.426712      7.443083  
1 1 1 -14 37  2  o 105.612 2.7411  6043.67    313.556  6142.01    362.674  5752.58    623.969  106.459 3.1453  102.797 5.6255  3.662132       6.445107  
1 1 1 -14 37  3  o 158.907 3.3712  13686.09   580.220  13540.49   666.216  14143.38   1180.68  158.038 3.8921  161.344 6.7563  -3.305008      7.797213  
1 1 1 -14 37  4  o 206.732 4.2564  23175.22   953.055  23801.18   1121.40  21547.12   1808.54  209.458 4.9430  198.963 8.3924  10.49443       9.739895  
1 1 1 -14 37  5  o 202.688 3.8927  22273.00   854.575  22063.31   984.585  22913.46   1720.70  201.693 4.5070  205.244 7.7404  -3.550674      8.956990  
1 1 1 -14 37  6  o 243.063 4.4148  32041.66   1162.25  32463.04   1340.70  30767.26   2331.56  244.600 5.0606  237.622 9.0592  6.977814       10.37686  
1 1 1 -14 37  7  f 281.314 4.9375  42938.09   1504.41  42012.05   1735.58  45736.35   3016.99  278.170 5.7606  289.575 9.6193  -11.40512      11.21226  
1 1 1 -14 37  8  o 8.9168  3.4796  25.610     48.554   784.886    164.150  -47.1889   50.828   37.827  4.0706  6.4512  3.0012  31.37580       5.057415  
1 1 1 -14 37  9  o 166.512 3.4994  15030.75   631.107  15311.20   892.185  14749.87   892.855  167.974 4.9039  164.859 5.0003  3.114441       7.003675  
1 1 1 -14 37  10 o 411.859 9.9440  92688.27   4435.87  90535.22   6270.31  94845.38   6276.23  405.130 14.290  414.830 13.969  -9.699432      19.98308  
1 1 1 -14 37  11 o 226.270 4.2517  27775.78   1041.97  26544.96   1470.36  29017.39   1476.80  220.987 6.1431  231.082 5.9005  -10.09550      8.517817  
1 1 1 -14 37  12 o 45.106  3.8117  1111.38    184.479  971.645    261.891  1249.01    259.906  41.868  5.9420  47.688  5.1117  -5.820187      7.838155  
1 1 1 -14 37  13 o 99.440  2.9850  5360.79    321.502  5257.84    456.170  5462.41    453.189  98.425  4.2791  100.327 4.1705  -1.901955      5.975278  
1 1 1 -14 37  14 o 239.252 4.4712  31084.85   1158.63  30127.49   1638.97  32041.23   1638.14  235.193 6.4339  242.590 6.2346  -7.396927      8.959110  
1 1 1 -14 37  15 f 198.634 3.9091  21420.93   841.016  21363.56   1191.56  21477.88   1187.21  198.114 5.5530  198.650 5.5178  -0.5356903     7.828303  
1 1 1 -14 37  16 o 187.941 3.7771  19184.27   768.873  19549.02   1092.35  18826.11   1082.42  189.449 5.3235  185.902 5.3758  3.546387       7.565635  
1 1 1 -14 37  17 o 113.719 3.0504  7019.75    375.713  7224.78    539.538  6826.71    523.501  115.233 4.3229  112.015 4.3149  3.218552       6.107854  
1 1 1 -14 37  18 o 88.652  3.0610  4268.69    293.912  4392.77    442.437  4170.68    393.212  89.655  4.5714  87.521  4.1481  2.134087       6.172881  
1 1 1 -14 37  19 o 36.430  5.3094  741.214    203.334  798.506    309.008  697.463    270.033  37.283  7.8979  34.893  7.3758  2.389801       10.80645  
1 1 1 -14 37  20 o 85.686  3.2779  3995.47    304.208  4159.90    462.341  3869.93    403.973  87.032  4.9249  84.042  4.4539  2.989861       6.640151  
1 1 1 -14 37  21 f 42.626  5.0230  1010.30    227.454  1133.38    391.703  947.685    279.383  44.244  8.4826  40.902  6.5258  3.342358       10.70240  
1 1 1 -14 37  22 o 30.992  5.7984  547.283    187.480  283.119    369.099  639.136    217.647  25.491  9.6846  33.445  6.2377  -7.954458      11.51959  
1 1 1 -14 37  23 o 86.200  2.8174  4047.05    263.040  4925.69    630.141  3861.64    289.466  93.871  6.2332  84.137  3.1764  9.734383       6.995889  
1 1 1 -14 37  24 o 51.502  4.2982  1469.02    237.572  774.602    501.685  1669.76    269.732  35.751  11.451  54.850  4.5823  -19.09937      12.33338  
1 1 1 -14 37  25 o 61.235  3.8739  2069.53    255.609  2634.79    541.167  1907.21    289.997  67.485  7.5322  58.544  4.6107  8.940968       8.831376  
1 1 1 -14 37  26 o 45.037  2.1010  1104.12    102.487  1123.46    111.329  996.659    262.415  45.411  2.2635  41.665  5.9870  3.746098       6.400566  
1 1 1 -14 37  27 o 36.671  5.9089  780.968    226.722  400.020    494.539  882.341    255.110  28.115  11.065  38.870  6.2733  -10.75487      12.71988  
1 1 1 -14 37  28 o 53.031  4.4011  1590.85    250.506  1822.01    544.608  1528.82    282.123  52.655  9.9130  51.600  5.1154  1.055443       11.15509  
1 1 1 -14 37  29 o 30.702  8.1066  614.997    273.550  440.943    512.607  684.300    323.457  27.087  11.054  31.853  8.9856  -4.766180      14.24562  
1 1 1 -14 37  30 o 20.822  8.7908  167.382    340.102  -17.6713   498.613  328.388    465.089  21.225  9.7020  24.644  10.336  -3.419752      14.17573  
1 1 1 -14 37  31 o 18.560  8.7361  -187.0473  452.152  0.0000     0.0000   -187.0473  452.152  ?       ?       18.560  8.7361  0.000000       8.736117  
1 1 1 -14 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 38  1  o 175.287 3.7204  16656.21   706.338  16759.13   774.349  16146.26   1723.56  175.811 4.0665  171.886 9.2925  3.924744       10.14332  
1 1 1 -14 38  2  o 19.547  1.0815  207.566    22.807   206.921    22.881   307.416    284.600  19.516  1.0868  25.017  8.6411  -5.500652      8.709178  
1 1 1 -14 38  3  o 228.268 4.1901  28254.27   1035.94  27135.86   1193.01  31682.52   2088.72  223.650 4.9250  241.313 7.9915  -17.66370      9.387222  
1 1 1 -14 38  4  o 45.723  2.9778  1137.71    146.663  1073.33    162.503  1420.45    340.571  44.370  3.4075  50.749  6.3338  -6.379448      7.192256  
1 1 1 -14 38  5  o 138.674 3.2058  10422.37   481.505  10639.23   539.001  9565.47    1071.43  140.097 3.5521  132.414 7.5015  7.683624       8.300010  
1 1 1 -14 38  6  o 213.689 4.0762  24760.51   943.429  24520.88   1087.81  25487.77   1895.07  212.607 4.7240  216.401 8.0853  -3.794754      9.364171  
1 1 1 -14 38  7  o 91.595  2.8323  4546.34    280.989  4563.88    322.393  4490.89    573.135  91.763  3.2438  90.753  5.8621  1.009491       6.699698  
1 1 1 -14 38  8  o 103.289 2.7717  5781.31    310.077  5537.38    447.947  6005.74    429.654  101.049 4.0928  105.247 3.7691  -4.197762      5.563960  
1 1 1 -14 38  9  o 214.104 4.1028  24861.63   951.417  25833.87   1346.58  23892.46   1344.44  218.101 5.7004  209.723 5.9187  8.378418       8.217380  
1 1 1 -14 38  10 o 237.709 6.2439  30713.07   1607.58  29896.71   2268.56  31536.53   2278.40  234.077 8.9479  240.451 8.7485  -6.373505      12.51404  
1 1 1 -14 38  11 o 147.084 3.3274  11728.83   530.076  12259.05   744.816  11184.65   754.561  150.298 4.5754  143.542 4.8534  6.756012       6.670044  
1 1 1 -14 38  12 o 65.022  3.1522  2292.11    221.995  2164.64    313.329  2420.59    314.573  62.980  4.6257  66.642  4.3826  -3.662403      6.372168  
1 1 1 -14 38  13 o 129.803 3.1643  9135.94    444.863  8852.93    625.344  9425.92    632.989  127.693 4.5215  131.767 4.4352  -4.073898      6.333651  
1 1 1 -14 38  14 o 157.455 3.4177  13448.98   582.848  12808.21   821.786  14097.56   826.779  153.516 4.9424  161.081 4.7389  -7.564682      6.847187  
1 1 1 -14 38  15 o 154.673 3.3984  12982.09   569.326  12182.36   806.262  13777.43   804.039  149.662 4.9739  159.200 4.6630  -9.537949      6.817842  
1 1 1 -14 38  16 f 78.146  3.0209  3313.72    255.691  3560.41    372.366  3093.63    351.720  80.812  4.2694  75.305  4.3305  5.506790       6.081170  
1 1 1 -14 38  17 o 175.234 4.0189  16701.13   762.779  17046.68   1083.62  16361.73   1073.91  176.665 5.6631  173.062 5.7292  3.602844       8.055740  
1 1 1 -14 38  18 o 30.822  5.4385  534.487    174.920  677.129    286.994  450.182    220.637  34.345  7.8821  28.065  7.2177  6.280079       10.68751  
1 1 1 -14 38  19 o 104.579 3.0235  5944.49    342.472  6098.78    522.567  5828.33    453.418  105.682 4.5653  103.404 4.0485  2.278595       6.101824  
1 1 1 -14 38  20 o 115.630 3.1628  7274.23    396.108  7795.04    576.456  6808.35    545.210  119.426 4.4565  111.600 4.5106  7.826523       6.340806  
1 1 1 -14 38  21 o 49.765  4.1621  1363.06    222.281  1153.91    339.381  1520.17    294.154  45.013  7.2041  52.336  5.2605  -7.323292      8.920310  
1 1 1 -14 38  22 o 60.735  3.4996  2019.71    229.238  2363.12    453.368  1901.75    265.707  64.879  6.5410  58.785  4.2008  6.093727       7.773765  
1 1 1 -14 38  23 o 38.865  5.0152  846.333    206.187  1428.52    463.952  703.050    230.165  49.229  9.0342  35.024  6.2990  14.20494       11.01336  
1 1 1 -14 38  24 o 66.930  2.6403  2441.05    191.401  2500.56    249.181  2355.41    298.921  67.516  3.4187  65.294  4.2500  2.222336       5.454320  
1 1 1 -14 38  25 o 22.032  7.4482  264.881    211.227  545.741    457.079  188.613    238.187  30.872  10.930  20.565  7.7878  10.30709       13.42101  
1 1 1 -14 38  26 o 41.596  5.4412  984.428    239.263  903.004    495.841  1009.14    273.171  37.526  11.284  41.826  6.2193  -4.299866      12.88409  
1 1 1 -14 38  27 o 32.288  2.6762  574.421    92.748   492.034    99.161   1150.22    262.150  29.770  3.1218  44.785  5.5213  -15.01473      6.342782  
1 1 1 -14 38  28 o 61.684  4.0159  2137.84    266.836  2274.40    569.918  2099.50    301.980  59.497  9.1359  60.773  4.6224  -1.275166      10.23875  
1 1 1 -14 38  29 o 26.690  8.3794  465.396    269.773  495.332    503.294  453.327    319.557  27.750  11.086  26.333  9.1530  1.416473       14.37605  
1 1 1 -14 38  30 o 36.583  9.0934  925.795    358.754  882.864    516.553  965.798    498.631  33.220  11.632  34.941  11.434  -1.721588      16.31083  
1 1 1 -14 38  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 39  1  o 108.615 3.2878  6393.88    386.785  6181.19    465.391  6868.91    695.500  106.772 4.0243  112.340 5.7351  -5.568375      7.006175  
1 1 1 -14 39  2  o 93.881  2.8223  4775.83    286.981  4767.79    324.747  4804.49    613.155  93.794  3.1967  93.868  6.0633  -0.7431030E-01 6.854375  
1 1 1 -14 39  3  o 145.658 3.2956  11498.94   519.925  11465.86   578.212  11638.61   1188.27  145.434 3.6707  146.099 7.5349  -0.6648865     8.381470  
1 1 1 -14 39  4  o 175.280 3.6063  16654.35   684.651  16956.42   788.050  15724.48   1382.64  176.836 4.1145  170.040 7.5073  6.796188       8.560899  
1 1 1 -14 39  5  o 240.783 4.7265  31450.92   1232.64  31620.84   1333.26  30451.00   3234.31  241.399 5.0993  235.342 12.736  6.056900       13.71884  
1 1 1 -14 39  6  o 171.676 3.8715  15979.58   719.885  16138.03   801.445  15317.79   1637.90  172.502 4.2895  167.405 9.0671  5.096695       10.03059  
1 1 1 -14 39  7  o 191.796 3.3812  19939.83   702.393  20722.60   907.745  18771.86   1108.82  195.469 4.2876  185.952 5.5055  9.517532       6.978084  
1 1 1 -14 39  8  o 190.374 3.9622  19653.32   816.989  19389.48   1096.40  19982.73   1225.08  188.988 5.3563  191.807 5.8970  -2.819809      7.966427  
1 1 1 -14 39  9  o 284.072 5.0225  43801.08   1545.31  42625.60   2185.70  44975.91   2185.09  279.896 7.2098  287.545 7.0161  -7.648651      10.06014  
1 1 1 -14 39  10 o 113.707 4.3029  7014.49    529.926  6976.02    744.215  7054.06    754.754  113.130 6.0961  113.757 6.1485  -0.6267624     8.658374  
1 1 1 -14 39  11 o 265.460 4.8291  38254.54   1388.47  37069.52   1962.14  39443.07   1965.04  260.982 6.9414  269.246 6.7383  -8.264130      9.674133  
1 1 1 -14 39  12 o 222.110 4.2102  26771.43   1012.85  26485.51   1432.08  27057.59   1432.69  220.689 5.9912  223.069 5.9299  -2.380127      8.429601  
1 1 1 -14 39  13 o 134.895 3.1728  9867.50    463.570  9760.90    655.602  9974.09    655.573  134.074 4.5147  135.534 4.4658  -1.460144      6.350258  
1 1 1 -14 39  14 o 53.846  2.3465  1571.49    136.847  1607.65    291.315  1561.25    155.015  54.150  5.0243  53.663  2.6670  0.4864120      5.688242  
1 1 1 -14 39  15 o 52.886  3.5462  1525.02    201.953  1585.94    290.547  1468.07    280.906  53.755  5.0495  51.696  5.0826  2.058292       7.164520  
1 1 1 -14 39  16 o 85.752  2.9764  3990.38    276.442  4057.95    400.508  3928.91    382.041  86.382  4.2807  85.008  4.1493  1.373779       5.961686  
1 1 1 -14 39  17 o 161.639 3.4710  14197.60   607.677  14801.81   868.930  13619.23   850.147  164.772 4.8689  158.031 4.9668  6.740601       6.955268  
1 1 1 -14 39  18 o 56.122  3.6261  1720.60    219.238  2187.18    351.884  1424.58    280.288  63.045  5.1996  50.798  5.1663  12.24797       7.329806  
1 1 1 -14 39  19 o 51.848  3.8124  1472.37    212.591  1590.99    333.431  1391.12    275.957  53.519  5.8472  50.152  5.1535  3.367008       7.794140  
1 1 1 -14 39  20 o 106.871 3.1878  6215.26    368.995  5912.72    537.860  6484.25    507.168  103.926 4.7783  108.945 4.2981  -5.018951      6.426978  
1 1 1 -14 39  21 o 40.104  1.7649  872.518    76.661   887.620    79.949   700.119    270.120  40.447  1.8250  34.800  7.3945  5.646496       7.616377  
1 1 1 -14 39  22 o 56.577  3.6664  1755.84    223.464  1896.68    438.427  1706.41    259.735  57.829  7.1522  55.628  4.3454  2.200596       8.368787  
1 1 1 -14 39  23 o 60.315  3.8025  1999.70    247.140  2564.83    519.724  1834.57    280.936  67.124  7.2645  57.577  4.5418  9.547596       8.567450  
1 1 1 -14 39  24 o 84.215  3.3368  3879.86    304.360  4052.70    629.699  3827.17    347.668  84.418  6.9487  83.504  3.8440  0.9138641      7.941076  
1 1 1 -14 39  25 o 110.563 3.0119  6684.53    360.678  6625.07    678.078  6707.99    425.931  108.531 5.7893  110.547 3.5573  -2.015335      6.794895  
1 1 1 -14 39  26 o 67.446  2.7714  2486.64    202.456  3059.85    571.948  2404.53    216.472  72.488  7.3882  66.266  3.0160  6.221344       7.980059  
1 1 1 -14 39  27 o 67.557  3.7795  2534.46    275.443  2410.13    579.051  2570.81    313.140  62.644  8.7751  67.803  4.2860  -5.159737      9.765910  
1 1 1 -14 39  28 o 24.656  1.5554  332.244    41.324   334.988    41.923   238.345    245.269  24.755  1.5717  21.141  7.9250  3.614044       8.079390  
1 1 1 -14 39  29 o 18.763  8.2492  30.934     323.904  -104.6694  462.277  161.711    453.974  20.110  9.2474  22.788  9.8969  -2.678013      13.54486  
1 1 1 -14 39  30 o 29.180  9.4637  604.162    341.882  882.308    483.185  325.305    483.803  33.465  11.265  24.656  10.451  8.808706       15.36667  
1 1 1 -14 39  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 40  1  f 153.548 3.7234  12781.51   619.235  12537.50   720.734  13469.49   1210.19  152.045 4.3766  157.410 7.0982  -5.365234      8.339010  
1 1 1 -14 40  2  o 239.903 4.2738  31210.97   1110.51  30720.17   1279.12  32713.17   2237.81  237.952 4.9631  245.122 8.4289  -7.170334      9.781545  
1 1 1 -14 40  3  o 230.088 4.2113  28708.54   1049.50  28300.08   1208.50  29961.67   2116.73  228.392 4.8853  234.598 8.3305  -6.205826      9.657310  
1 1 1 -14 40  4  o 369.258 6.3846  74071.37   2553.48  74722.79   2946.83  72108.23   5115.67  370.693 7.3396  362.556 13.027  8.137146       14.95264  
1 1 1 -14 40  5  o 456.598 7.8384  113443.20  3876.43  115234.00  4474.82  108058.30  7759.64  459.845 8.9845  442.201 16.201  17.64337       18.52582  
1 1 1 -14 40  6  o 121.628 3.0131  8017.27    396.928  8451.06    452.669  6574.13    825.658  124.865 3.3471  109.744 6.9825  15.12025       7.743284  
1 1 1 -14 40  7  o 229.419 4.1773  28545.07   1037.99  28975.67   1466.74  28113.06   1469.14  230.980 5.8628  227.505 5.9621  3.475235       8.361827  
1 1 1 -14 40  8  o 125.557 3.0313  8544.25    412.224  8837.18    581.479  8248.28    584.479  127.644 4.2060  123.309 4.3763  4.334259       6.069741  
1 1 1 -14 40  9  o 182.884 3.6879  18136.24   730.508  18114.81   1033.67  18157.63   1032.52  182.658 5.2248  182.875 5.2128  -0.2168427     7.380550  
1 1 1 -14 40  10 o 105.751 4.2173  6067.03    483.043  5311.79    681.603  6829.06    684.659  98.631  6.4153  111.975 5.6637  -13.34454      8.557642  
1 1 1 -14 40  11 o 149.259 3.3110  12079.13   535.268  11881.86   754.734  12278.77   759.252  147.946 4.7100  150.400 4.6609  -2.454514      6.626308  
1 1 1 -14 40  12 o 29.438  5.3664  485.562    164.798  774.032    231.973  191.627    234.160  37.269  5.9466  21.111  7.7763  16.15795       9.789445  
1 1 1 -14 40  13 o 119.280 3.1189  7715.41    402.934  7798.89    574.731  7634.71    565.061  119.842 4.4278  118.576 4.3998  1.266083       6.242057  
1 1 1 -14 40  14 o 112.781 2.9872  6898.35    364.900  7023.49    524.499  6780.95    507.989  113.714 4.2585  111.738 4.1974  1.975975       5.979426  
1 1 1 -14 40  15 o 61.145  2.4174  2027.05    160.092  1885.08    325.127  2072.49    183.936  58.618  5.1740  61.816  2.7472  -3.197651      5.858167  
1 1 1 -14 40  16 o 125.129 3.1605  8499.63    428.328  8125.55    603.329  8879.77    608.195  122.185 4.5590  127.753 4.3954  -5.567360      6.332771  
1 1 1 -14 40  17 o 93.876  3.0401  4785.80    309.110  4993.42    459.637  4614.38    417.666  95.742  4.4325  92.065  4.1886  3.676582       6.098414  
1 1 1 -14 40  18 o 58.292  3.5406  1855.31    222.484  1783.69    339.352  1909.31    294.643  56.803  5.5882  58.965  4.6513  -2.162445      7.270613  
1 1 1 -14 40  19 o 36.626  4.9256  746.793    190.446  749.950    303.148  744.735    244.779  36.052  7.9749  36.240  6.4736  -0.1883698     10.27165  
1 1 1 -14 40  20 o 75.613  2.7375  3107.68    224.188  3390.96    422.017  2996.30    264.614  78.495  4.9897  74.184  3.2933  4.311264       5.978568  
1 1 1 -14 40  21 o 129.990 3.2678  9208.27    460.084  9606.04    666.437  8846.06    635.948  132.347 4.6492  127.012 4.6228  5.334160       6.556303  
1 1 1 -14 40  22 o 116.326 3.0318  7373.41    381.990  7291.77    759.847  7401.02    441.888  114.438 6.1530  116.424 3.5043  -1.985878      7.080881  
1 1 1 -14 40  23 o 78.053  3.3973  3329.53    287.210  3014.65    589.888  3427.37    328.817  72.618  7.6131  79.093  3.8384  -6.474754      8.526002  
1 1 1 -14 40  24 o 40.362  5.2384  918.642    223.604  1187.69    474.838  841.980    253.467  43.996  10.168  38.269  6.3368  5.726852       11.98140  
1 1 1 -14 40  25 o 42.295  5.1563  1010.21    231.322  1121.25    489.814  978.330    262.432  42.166  10.706  41.305  6.0450  0.8613205      12.29446  
1 1 1 -14 40  26 o 36.717  2.3251  737.971    91.986   695.975    98.360   1030.86    259.757  35.610  2.5674  42.390  5.8106  -6.779396      6.352534  
1 1 1 -14 40  27 o 62.577  3.9061  2182.23    263.423  2499.01    545.196  2085.75    300.875  64.253  8.0079  60.842  4.5997  3.410759       9.234892  
1 1 1 -14 40  28 f 30.141  6.8861  562.737    219.885  589.233    453.283  554.583    251.452  29.511  10.827  29.490  7.7653  0.2051926E-01  13.32388  
1 1 1 -14 40  29 o 35.543  2.3587  696.927    90.286   678.714    91.907   1199.67    482.879  35.052  2.4359  40.527  10.804  -5.475140      11.07508  
1 1 1 -14 40  30 o 17.708  7.9724  -23.6726   321.460  -74.4136   449.678  29.358     459.713  19.746  9.0948  20.918  9.4647  -1.172256      13.12621  
1 1 1 -14 40  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 41  1  o 229.344 6.0780  28565.53   1509.80  29787.65   2134.39  27341.61   2135.96  233.895 8.4252  224.031 8.8027  9.864426       12.18492  
1 1 1 -14 41  2  o 534.136 8.8733  155436.80  5133.41  157441.09  5925.80  149409.91  10275.91 537.057 10.187  518.653 18.293  18.40411       20.93789  
1 1 1 -14 41  3  o 354.010 6.2976  68076.14   2414.67  70113.90   2786.33  61929.52   4839.22  359.108 7.1637  335.884 13.302  23.22424       15.10831  
1 1 1 -14 41  4  f 291.424 5.3207  46095.02   1679.43  46303.11   1937.24  45465.57   3369.30  291.976 6.1258  288.437 10.785  3.539001       12.40326  
1 1 1 -14 41  5  f 132.263 3.0864  9480.92    442.143  9462.72    507.121  9538.58    902.814  132.120 3.5438  132.505 6.2906  -0.3850098     7.220174  
1 1 1 -14 41  6  o 255.886 4.1525  35510.18   1150.87  35147.98   1485.38  36054.20   1820.39  254.454 5.3896  257.569 6.5253  -3.115601      8.463288  
1 1 1 -14 41  7  o 150.549 3.2170  12285.33   524.570  12540.60   741.072  12029.00   742.637  152.040 4.5002  148.901 4.6048  3.139694       6.438624  
1 1 1 -14 41  8  o 113.124 2.9321  6935.68    359.252  6817.35    509.777  7052.42    506.358  112.108 4.1983  114.029 4.0999  -1.920647      5.868105  
1 1 1 -14 41  9  o 64.654  2.9692  2265.71    207.926  2577.24    292.271  1946.48    295.865  68.822  3.9373  59.714  4.6102  9.107857       6.062704  
1 1 1 -14 41  10 o 255.320 5.3822  35407.40   1488.39  35994.16   1821.12  34226.98   2583.02  257.246 6.5361  250.239 9.5302  7.006775       11.55617  
1 1 1 -14 41  11 o 184.781 3.6887  18519.38   738.237  18245.43   1041.90  18795.58   1046.17  183.264 5.2490  186.012 5.1927  -2.748611      7.383484  
1 1 1 -14 41  12 o 240.436 4.7694  31397.46   1242.04  31350.87   1647.78  31458.78   1890.05  239.993 6.3391  240.214 7.2645  -0.2215424     9.641441  
1 1 1 -14 41  13 o 57.884  3.3147  1823.35    206.951  1990.44    292.122  1655.00    293.228  60.370  4.4999  54.958  4.9802  5.411259       6.712039  
1 1 1 -14 41  14 o 43.068  3.8271  1014.95    176.663  1012.83    277.694  1016.39    228.973  42.670  6.1893  42.940  5.0179  -0.2700920     7.967869  
1 1 1 -14 41  15 o 118.823 3.0968  7661.64    398.551  7129.90    561.565  8201.30    565.731  114.493 4.5285  122.826 4.2526  -8.332886      6.212203  
1 1 1 -14 41  16 f 136.586 3.1945  10129.63   472.577  9362.38    665.305  10910.97   671.385  131.113 4.6850  141.592 4.3779  -10.47922      6.412055  
1 1 1 -14 41  17 o 123.754 3.1306  8319.63    419.619  8722.40    610.401  7958.73    577.803  126.514 4.4546  120.856 4.4141  5.658310       6.271173  
1 1 1 -14 41  18 o 73.529  3.2004  2939.32    254.882  3127.00    382.663  2789.65    341.717  75.529  4.7010  71.370  4.4426  4.159004       6.468131  
1 1 1 -14 41  19 o 76.140  3.2040  3153.81    264.229  3482.42    399.308  2897.84    352.422  79.679  4.6471  72.691  4.4983  6.988373       6.467672  
1 1 1 -14 41  20 o 24.624  1.3066  329.587    34.724   333.092    35.143   185.293    225.477  24.755  1.3154  20.512  7.6163  4.242481       7.729111  
1 1 1 -14 41  21 o 89.782  2.9791  4388.62    289.695  4344.16    489.059  4412.66    359.567  88.730  5.1105  89.900  3.6928  -1.169724      6.305030  
1 1 1 -14 41  22 o 19.450  6.8551  188.342    179.589  331.793    346.334  135.583    210.033  25.977  9.4741  18.811  7.2658  7.166254       11.93939  
1 1 1 -14 41  23 o 40.008  5.1729  899.372    218.904  966.268    461.205  879.919    248.703  39.753  10.540  39.316  6.0330  0.4363441      12.14470  
1 1 1 -14 41  24 o 83.703  3.3363  3834.53    302.463  3726.55    611.634  3869.48    347.991  80.789  7.0608  83.944  3.8274  -3.154968      8.031425  
1 1 1 -14 41  25 o 17.752  7.1048  102.051    207.146  -184.7843  431.032  188.194    236.212  19.935  9.0767  20.475  7.7550  -0.5394573     11.93847  
1 1 1 -14 41  26 f 39.989  5.3617  912.761    226.377  973.457    456.075  892.919    260.767  38.909  10.555  39.148  6.3689  -0.2386627     12.32732  
1 1 1 -14 41  27 o 24.502  2.4228  331.578    63.454   303.328    65.526   757.202    254.341  23.382  2.6332  35.465  6.8696  -12.08282      7.356961  
1 1 1 -14 41  28 o 19.959  7.0471  225.740    189.869  150.505    438.681  243.083    210.619  22.670  9.7870  20.698  7.4099  1.972713       12.27567  
1 1 1 -14 41  29 o 25.218  9.1927  406.584    326.011  722.471    451.854  63.610     470.828  31.335  10.884  21.841  9.7545  9.494150       14.61574  
1 1 1 -14 41  30 o ?       ?       -191.2414  30.188   -193.2111  30.255   249.945    452.812  ?       ?       23.246  9.9889  0.000000       9.988914  
1 1 1 -14 41  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 42  1  o 170.152 4.9884  15709.58   919.318  15470.68   1297.38  15950.50   1302.86  168.683 7.1011  171.287 7.0227  -2.603333      9.987188  
1 1 1 -14 42  2  o 48.628  2.8775  1285.93    150.881  1302.53    164.476  1197.81    379.006  48.925  3.1201  46.287  7.8397  2.637131       8.437775  
1 1 1 -14 42  3  o 254.652 4.9715  35187.57   1371.20  35077.62   1480.07  35853.61   3642.69  254.212 5.3755  255.205 13.224  -0.9931335     14.27456  
1 1 1 -14 42  4  o 234.369 4.4238  29793.88   1122.95  29923.39   1294.26  29399.47   2258.60  234.818 5.0889  232.242 8.9790  2.576355       10.32083  
1 1 1 -14 42  5  o 165.977 3.3913  14933.12   609.659  13991.85   700.883  17859.46   1235.81  160.630 4.0286  181.302 6.2933  -20.67256      7.472265  
1 1 1 -14 42  6  o 256.999 4.2138  35823.29   1172.95  36429.18   1513.92  34913.40   1855.22  259.038 5.3960  253.411 6.7593  5.626114       8.648961  
1 1 1 -14 42  7  o 115.455 2.9204  7224.37    365.191  6911.70    515.249  7539.99    517.676  112.883 4.2142  117.909 4.0536  -5.026054      5.847364  
1 1 1 -14 42  8  o 198.485 3.8449  21364.96   826.569  21980.39   1169.49  20750.69   1168.40  201.191 5.3668  195.467 5.5188  5.724060       7.698097  
1 1 1 -14 42  9  o 169.079 3.4947  15500.31   639.982  15655.60   903.672  15344.05   906.478  169.824 4.9129  168.120 4.9781  1.703598       6.994211  
1 1 1 -14 42  10 o 140.279 3.7267  10672.76   566.230  10838.70   692.574  10338.25   983.339  141.316 4.5249  137.845 6.5863  3.470459       7.990855  
1 1 1 -14 42  11 o 164.552 3.5262  14685.50   628.470  14537.71   883.868  14836.63   893.795  163.601 4.9881  165.273 4.9930  -1.672882      7.057709  
1 1 1 -14 42  12 o 134.082 3.1734  9749.15    460.853  10167.91   641.042  9301.22    663.002  136.852 4.3248  130.862 4.6777  5.990173       6.370613  
1 1 1 -14 42  13 o 158.147 3.3890  13568.84   580.505  12345.56   816.142  14821.41   825.860  150.691 5.0004  165.159 4.6167  -14.46777      6.805766  
1 1 1 -14 42  14 o 92.716  2.9601  4663.00    297.258  4613.87    420.452  4712.09    420.321  92.150  4.2126  93.128  4.1670  -0.9789352     5.925413  
1 1 1 -14 42  15 o 61.401  3.3279  2052.75    220.488  2122.69    306.345  1977.56    317.594  62.295  4.5723  60.066  4.9250  2.228546       6.720218  
1 1 1 -14 42  16 o 105.251 3.0244  6014.29    344.780  6026.12    497.099  6003.33    478.610  105.211 4.3623  105.031 4.2072  0.1800308      6.060511  
1 1 1 -14 42  17 o 97.112  3.0858  5123.59    324.574  5045.49    488.012  5185.54    434.643  96.169  4.6852  97.576  4.1126  -1.407585      6.234131  
1 1 1 -14 42  18 o 152.232 3.3807  12606.98   557.416  13082.94   808.033  12174.82   769.957  154.719 4.8219  149.269 4.7624  5.449600       6.777250  
1 1 1 -14 42  19 o 115.403 3.1725  7245.21    396.544  7672.79    589.103  6890.96    536.215  118.465 4.5912  112.309 4.4081  6.156151       6.364815  
1 1 1 -14 42  20 o 111.661 3.1230  6787.21    377.698  7341.17    556.951  6315.52    513.930  115.824 4.4396  107.435 4.4166  8.389450       6.262339  
1 1 1 -14 42  21 o 51.146  4.0966  1440.10    225.031  1719.34    342.850  1228.74    298.271  55.496  5.7891  46.755  6.0305  8.741192       8.359473  
1 1 1 -14 42  22 o 50.860  4.4979  1431.73    245.220  1547.96    415.112  1369.43    303.916  51.920  7.6074  49.384  5.7919  2.536324       9.561342  
1 1 1 -14 42  23 f 16.123  6.7227  40.175     195.105  166.290    385.371  -3.2921    226.243  23.555  9.5956  16.385  7.0511  7.170012       11.90768  
1 1 1 -14 42  24 o 79.219  3.3904  3437.14    290.901  3322.69    577.683  3476.02    336.708  76.188  7.0816  79.519  3.9094  -3.330727      8.089026  
1 1 1 -14 42  25 o 121.859 3.2831  8139.12    433.322  8344.07    865.847  8070.63    500.511  121.023 6.6307  121.091 3.8162  -0.6846619E-01 7.650446  
1 1 1 -14 42  26 o 12.935  6.0047  -155.4727  201.720  182.087    408.192  -264.5466  232.033  23.667  9.7838  12.850  6.1104  10.81639       11.53514  
1 1 1 -14 42  27 o 24.064  7.4768  350.965    215.412  266.022    434.797  378.596    247.986  24.750  10.150  24.937  8.0572  -0.1872349     12.95905  
1 1 1 -14 42  28 o 6.2234  2.5648  6.6655     27.934   6.6451     28.054   9.0316     302.132  6.2337  2.5698  18.055  7.9518  -11.82146      8.356716  
1 1 1 -14 42  29 o 18.400  8.1113  26.023     315.085  -29.5726   440.364  84.343     451.022  20.294  9.2146  21.684  9.6241  -1.390488      13.32412  
1 1 1 -14 42  30 o 19.793  8.4920  127.576    326.347  131.085    455.724  123.883    467.552  21.831  9.6824  21.909  9.7573  -0.7845306E-01 13.74606  
1 1 1 -14 42  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 43  1  o 261.272 6.7211  37103.86   1901.96  38258.21   2689.08  35948.29   2690.49  264.847 9.3743  256.667 9.6781  8.179840       13.47380  
1 1 1 -14 43  2  o 76.238  2.5895  3149.36    213.828  3128.08    238.402  3236.93    483.566  75.975  2.8971  76.985  5.8429  -1.010124      6.521756  
1 1 1 -14 43  3  o 136.740 3.1599  10134.21   467.991  10477.28   535.883  9031.75    960.638  139.020 3.5589  128.705 6.9165  10.31534       7.778480  
1 1 1 -14 43  4  o 160.209 3.4278  13913.56   594.802  13866.82   683.414  14059.56   1207.84  159.914 3.9457  160.803 6.9350  -0.8893585     7.978870  
1 1 1 -14 43  5  o 296.937 5.2304  47861.84   1682.18  45917.72   1940.14  53749.40   3376.28  290.712 6.1617  313.713 9.9365  -23.00113      11.69193  
1 1 1 -14 43  6  o 146.346 3.2171  11609.23   509.935  11361.51   718.750  11860.29   723.590  144.708 4.5858  147.854 4.5184  -3.146317      6.437852  
1 1 1 -14 43  7  o 173.548 3.7211  16331.98   699.454  16401.52   942.298  16246.66   1043.83  173.826 5.0050  172.956 5.5722  0.8707581      7.489927  
1 1 1 -14 43  8  f 239.607 4.4387  31150.38   1151.93  30098.52   1627.61  32206.03   1630.53  235.287 6.3868  243.415 6.1846  -8.127838      8.890456  
1 1 1 -14 43  9  o 204.282 3.9470  22635.75   873.304  22997.33   1233.85  22272.77   1236.23  205.748 5.5368  202.469 5.6373  3.278732       7.901579  
1 1 1 -14 43  10 o 211.128 4.6703  24199.53   1067.99  24047.36   1306.46  24506.06   1854.20  210.331 5.7349  211.940 8.0775  -1.608749      9.906262  
1 1 1 -14 43  11 o 208.035 4.0126  23484.94   904.131  22841.00   1277.23  24131.71   1280.05  204.946 5.7539  210.678 5.6096  -5.732529      8.035859  
1 1 1 -14 43  12 o 142.723 3.3298  11048.77   514.731  11026.82   705.398  11073.76   752.791  142.481 4.5709  142.756 4.8687  -0.2744141     6.678141  
1 1 1 -14 43  13 o 163.890 3.4925  14575.60   619.953  14484.18   872.760  14668.71   880.787  163.210 4.9372  164.245 4.9512  -1.034470      6.992129  
1 1 1 -14 43  14 o 41.976  3.9662  965.692    178.184  862.536    251.810  1069.14    252.171  39.307  6.1133  43.978  5.4080  -4.671040      8.162073  
1 1 1 -14 43  15 o 156.663 3.4114  13328.52   578.854  13325.65   816.369  13331.41   820.897  156.429 4.8183  156.458 4.8442  -0.2911377E-01 6.832452  
1 1 1 -14 43  16 o 78.386  3.1266  3337.09    265.452  3582.78    398.632  3141.33    355.818  80.964  4.5644  75.828  4.3506  5.135109       6.305672  
1 1 1 -14 43  17 o 98.455  3.1227  5267.52    332.992  5544.29    481.220  5013.23    461.259  100.837 4.4061  95.881  4.4416  4.956131       6.256355  
1 1 1 -14 43  18 o 72.506  2.7230  2855.69    213.844  3327.93    383.341  2642.34    257.661  77.928  4.5616  69.684  3.4138  8.243477       5.697615  
1 1 1 -14 43  19 o 126.738 3.2204  8741.01    442.059  8587.99    640.021  8880.60    611.298  125.277 4.7169  127.471 4.4276  -2.194626      6.469366  
1 1 1 -14 43  20 o 71.141  3.2899  2757.27    253.494  3131.78    387.336  2476.69    335.265  75.426  4.7658  67.071  4.6437  8.355629       6.654058  
1 1 1 -14 43  21 o 158.067 3.4779  13634.09   595.424  14126.70   859.757  13180.06   825.407  160.275 4.9527  154.826 4.9221  5.448700       6.982590  
1 1 1 -14 43  22 o 74.028  3.6748  2997.38    294.643  3155.43    508.582  2917.53    361.488  74.991  6.3204  72.689  4.6154  2.302170       7.826242  
1 1 1 -14 43  23 o 14.858  1.6870  121.381    26.667   122.240    26.826   49.333     245.607  14.910  1.6910  17.962  7.5207  -3.051897      7.708430  
1 1 1 -14 43  24 o 60.928  3.8410  2048.14    252.173  2193.58    500.291  1998.60    291.977  61.438  7.6864  59.968  4.5287  1.470486       8.921291  
1 1 1 -14 43  25 o 77.344  3.4709  3284.30    290.767  3600.91    577.927  3176.99    336.452  79.229  6.8006  75.757  4.1159  3.471916       7.949177  
1 1 1 -14 43  26 o 19.626  7.2974  186.255    207.129  339.561    415.320  135.500    238.969  26.198  10.190  19.178  7.6461  7.019527       12.73933  
1 1 1 -14 43  27 o 30.675  6.8287  574.261    221.043  646.290    442.124  550.256    255.231  31.086  10.768  29.590  7.8388  1.496807       13.31933  
1 1 1 -14 43  28 o 35.929  7.1945  804.615    270.209  871.124    464.854  770.675    332.072  34.582  11.017  34.006  8.9090  0.5756912      14.16808  
1 1 1 -14 43  29 o 24.772  9.1695  389.803    326.316  96.599     454.490  701.768    468.804  21.844  9.6797  30.696  11.048  -8.851971      14.68861  
1 1 1 -14 43  30 o 26.655  9.3881  500.996    336.771  114.371    470.114  908.543    482.667  21.790  9.7383  33.519  11.259  -11.72899      14.88654  
1 1 1 -14 43  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 44  1  o 42.512  5.4479  997.158    245.076  977.067    338.415  1019.31    355.386  41.706  7.7779  42.585  7.9987  -0.8790779     11.15682  
1 1 1 -14 44  2  o 289.649 5.1197  45534.88   1606.14  46571.89   1852.18  42390.85   3225.03  292.831 5.8398  278.437 10.694  14.39392       12.18452  
1 1 1 -14 44  3  o 303.578 5.5034  50038.06   1809.54  50536.98   2087.18  48527.99   3631.12  304.962 6.3189  297.742 11.260  7.220093       12.91167  
1 1 1 -14 44  4  f 188.641 3.6408  19293.41   743.877  18319.36   855.249  22319.82   1507.53  183.775 4.2967  202.600 6.8700  -18.82394      8.102996  
1 1 1 -14 44  5  o 17.936  5.2514  177.563    108.541  189.688    128.904  148.017    201.217  18.722  5.7783  19.162  7.1791  -0.4398212     9.215678  
1 1 1 -14 44  6  o 125.813 3.0991  8579.87    422.319  8536.54    594.128  8624.11    600.419  125.440 4.3729  126.081 4.3968  -0.6405106     6.201147  
1 1 1 -14 44  7  o 288.026 5.5055  45056.46   1717.49  45656.47   2265.34  44245.33   2633.92  289.637 7.2212  284.846 8.5373  4.791260       11.18177  
1 1 1 -14 44  8  o 103.333 2.9026  5787.39    324.860  5650.72    459.291  5924.22    459.552  102.060 4.1549  104.505 4.0600  -2.444763      5.809203  
1 1 1 -14 44  9  o 89.616  2.8964  4353.22    281.131  4437.52    392.553  4264.45    402.805  90.442  4.0074  88.653  4.1950  1.788651       5.801441  
1 1 1 -14 44  10 o 105.373 3.4802  6021.77    397.193  6576.83    483.192  4865.18    697.492  110.094 4.0521  94.271  6.8786  15.82310       7.983383  
1 1 1 -14 44  11 o 124.395 3.0592  8390.39    412.167  8134.74    582.535  8646.66    583.250  122.404 4.3940  126.206 4.2668  -3.801910      6.124760  
1 1 1 -14 44  12 o 52.172  2.1355  1475.09    120.674  1112.84    279.118  1558.37    133.828  44.834  5.8905  53.621  2.3043  -8.787468      6.325148  
1 1 1 -14 44  13 o 159.717 3.4182  13843.73   591.313  12999.38   831.408  14708.00   841.164  154.590 4.9655  164.471 4.7219  -9.880676      6.852210  
1 1 1 -14 44  14 o 78.173  3.0035  3315.81    254.303  3471.53    359.198  3159.33    360.082  79.808  4.1699  76.097  4.3874  3.710594       6.052879  
1 1 1 -14 44  15 o 64.629  3.2167  2268.03    225.167  1952.55    312.331  2609.43    324.911  59.668  4.8755  69.110  4.3630  -9.442348      6.542641  
1 1 1 -14 44  16 f 73.331  3.1846  2921.34    252.939  3017.30    381.081  2845.77    338.172  74.232  4.7649  72.150  4.3478  2.081963       6.450402  
1 1 1 -14 44  17 o 168.403 3.4964  15427.45   637.734  15380.02   916.201  15472.03   888.234  167.738 5.0430  168.291 4.8730  -0.5527802     7.012699  
1 1 1 -14 44  18 o 115.735 3.1945  7285.39    400.435  6967.39    593.052  7551.85    542.870  112.862 4.8515  117.634 4.2608  -4.771973      6.456867  
1 1 1 -14 44  19 o 109.051 3.1044  6470.55    366.672  6282.71    535.013  6636.92    503.524  107.155 4.6098  110.226 4.2176  -3.071465      6.248065  
1 1 1 -14 44  20 o 39.987  4.6429  887.903    197.339  1240.23    312.581  654.417    254.461  46.933  6.3090  33.662  7.1972  13.27017       9.570966  
1 1 1 -14 44  21 o 139.644 3.3351  10636.94   504.434  10939.14   733.293  10365.48   695.000  141.072 4.7992  137.377 4.6709  3.695297       6.696976  
1 1 1 -14 44  22 o 78.111  3.2979  3331.60    279.010  3184.17    427.460  3441.04    368.279  75.719  5.2445  79.039  4.3183  -3.319847      6.793571  
1 1 1 -14 44  23 o 135.639 3.3214  10061.46   487.956  9453.53    963.795  10271.00   565.834  129.237 6.9104  136.830 3.8180  -7.592621      7.894993  
1 1 1 -14 44  24 o 98.404  3.2718  5302.60    348.718  4633.85    686.892  5534.81    404.758  89.926  7.1104  100.373 3.7231  -10.44708      8.026153  
1 1 1 -14 44  25 o 98.937  3.0356  5358.98    325.289  4800.76    548.177  5662.38    404.132  92.361  5.5047  101.443 3.6782  -9.081902      6.620504  
1 1 1 -14 44  26 o 33.263  6.3294  652.993    219.703  673.247    443.606  646.411    252.898  32.413  10.793  32.688  7.3246  -0.2752113     13.04413  
1 1 1 -14 44  27 o 21.389  1.9083  251.557    43.745   246.979    44.437   395.009    248.747  21.183  1.9590  25.216  8.0614  -4.032848      8.296061  
1 1 1 -14 44  28 o 17.133  7.3977  37.557     250.723  -48.1525   429.682  81.805     308.732  20.149  9.1305  19.245  8.2583  0.9036236      12.31123  
1 1 1 -14 44  29 o ?       ?       -166.9820  29.231   -169.6337  29.290   485.286    459.379  ?       ?       26.999  10.652  0.000000       10.65245  
1 1 1 -14 44  30 o 24.257  9.2150  387.066    334.146  29.408     464.899  769.290    480.600  20.798  9.4530  30.912  11.178  -10.11430      14.63901  
1 1 1 -14 44  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 45  1  o 118.676 4.2878  7639.53    551.142  7416.48    775.336  7867.35    783.594  116.670 6.1575  120.339 6.0119  -3.669067      8.605672  
1 1 1 -14 45  2  o 215.496 4.3138  25189.90   1006.86  24978.72   1093.19  26370.79   2585.08  214.557 4.7042  219.533 10.872  -4.975677      11.84595  
1 1 1 -14 45  3  o 187.594 3.6172  19080.16   734.947  18245.83   844.657  21680.63   1491.21  183.406 4.2520  199.665 6.8955  -16.25868      8.101123  
1 1 1 -14 45  4  o 43.230  3.2531  1018.79    151.201  1017.50    166.204  1024.95    364.168  43.172  3.5869  42.671  8.1771  0.5009308      8.929204  
1 1 1 -14 45  5  o 279.122 4.5336  42272.08   1370.60  42286.04   1768.67  42251.09   2168.52  278.992 5.8531  278.654 7.1850  0.3381653      9.267307  
1 1 1 -14 45  6  o 193.437 3.6757  20289.59   770.110  20190.86   1086.84  20389.15   1091.37  192.842 5.2035  193.787 5.1997  -0.9449768     7.356171  
1 1 1 -14 45  7  o 392.205 7.1487  83724.11   3036.78  81181.40   4690.31  85559.37   3984.75  384.780 11.254  395.796 9.2952  -11.01578      14.59659  
1 1 1 -14 45  8  o 301.241 5.2970  49289.74   1728.29  47815.16   2442.75  50767.77   2445.60  296.233 7.6133  305.294 7.3960  -9.061707      10.61431  
1 1 1 -14 45  9  o 272.811 4.9528  40418.84   1463.48  40198.61   2068.17  40639.71   2071.16  271.681 7.0284  273.173 7.0001  -1.492676      9.919709  
1 1 1 -14 45  10 o 284.889 5.8289  44140.78   1798.60  42664.22   2200.22  47114.96   3122.66  279.755 7.2614  293.182 9.8337  -13.42691      12.22411  
1 1 1 -14 45  11 o 155.652 3.3590  13141.52   566.281  12432.71   800.010  13853.29   801.678  151.262 4.8831  159.697 4.6348  -8.434692      6.732462  
1 1 1 -14 45  12 o 200.923 4.1293  21923.18   898.628  21482.35   1201.58  22482.67   1353.68  198.665 5.5842  203.128 6.1528  -4.462982      8.309076  
1 1 1 -14 45  13 o 163.466 3.4615  14504.41   612.857  13644.31   867.198  15362.59   866.225  158.337 5.0567  168.059 4.7588  -9.721802      6.943785  
1 1 1 -14 45  14 f 179.192 3.6481  17441.82   708.034  16925.97   1000.36  17959.64   1002.26  176.239 5.2407  181.571 5.0964  -5.332367      7.310123  
1 1 1 -14 45  15 o 104.265 3.0401  5902.34    343.313  5514.60    486.673  6286.41    484.370  100.634 4.4650  107.484 4.1607  -6.850426      6.103054  
1 1 1 -14 45  16 o 229.643 4.3405  28737.15   1079.59  29175.09   1534.01  28307.38   1519.63  230.671 6.1399  227.199 6.1754  3.472351       8.708253  
1 1 1 -14 45  17 f 138.699 3.3132  10462.08   497.732  10771.26   713.533  10169.05   694.645  140.436 4.6910  136.452 4.7002  3.984512       6.640545  
1 1 1 -14 45  18 o 157.416 3.4889  13490.92   594.842  13737.60   848.502  13252.51   834.148  158.426 4.9449  155.602 4.9495  2.823746       6.996361  
1 1 1 -14 45  19 o 113.644 3.1448  7029.23    387.091  7498.58    558.961  6596.70    536.583  117.095 4.4073  109.802 4.5119  7.292999       6.307232  
1 1 1 -14 45  20 o 127.773 3.2564  8896.27    450.659  9216.97    667.772  8628.05    610.700  129.603 4.7571  125.482 4.4934  4.120323       6.543760  
1 1 1 -14 45  21 o 146.234 3.3520  11667.93   530.917  12333.25   770.256  11065.74   732.804  149.784 4.7479  141.869 4.7690  7.914856       6.729467  
1 1 1 -14 45  22 o 45.156  4.5395  1132.87    219.011  1106.64    335.885  1152.28    288.863  43.763  7.3465  45.110  6.0659  -1.347084      9.527094  
1 1 1 -14 45  23 o 89.833  2.9196  4404.38    284.074  4553.22    446.737  4303.34    368.075  90.841  4.5405  88.548  3.8379  2.293488       5.945162  
1 1 1 -14 45  24 o 29.095  7.5609  503.745    240.443  379.168    416.664  565.942    294.409  27.417  10.319  30.662  8.5456  -3.244541      13.39828  
1 1 1 -14 45  25 o 50.791  4.4409  1441.14    241.845  2226.01    478.201  1171.40    280.340  61.774  7.2874  45.231  5.8602  16.54361       9.351407  
1 1 1 -14 45  26 o 16.106  6.8180  36.188     205.466  361.394    409.811  -73.0074   237.468  26.252  10.147  15.346  6.8853  10.90579       12.26213  
1 1 1 -14 45  27 o 15.226  6.6579  -5.9472    208.482  -667.1033  417.142  214.189    240.701  15.179  7.4440  20.513  7.8142  -5.333305      10.79234  
1 1 1 -14 45  28 o 35.645  8.7342  842.940    334.564  1102.13    466.631  568.752    479.939  39.113  10.704  28.901  11.028  10.21250       15.36853  
1 1 1 -14 45  29 o 36.372  8.8111  900.166    343.449  793.406    476.324  1015.78    495.673  32.099  11.174  36.060  11.364  -3.961296      15.93722  
1 1 1 -14 45  30 o 18.988  8.3057  80.264     324.695  363.477    448.864  -230.5905  470.259  24.485  10.202  18.606  8.8039  5.878588       13.47545  
1 1 1 -14 45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 46  1  o 247.595 6.4477  33325.12   1729.08  34955.91   2444.98  31693.52   2445.59  253.144 8.9174  240.951 9.3710  12.19276       12.93581  
1 1 1 -14 46  2  o 142.695 3.2184  11037.47   497.410  10816.05   569.366  11751.14   1022.20  141.234 3.7220  147.029 6.4189  -5.795181      7.419973  
1 1 1 -14 46  3  o 261.204 5.0957  37036.92   1441.63  37357.71   1702.55  36224.21   2709.88  262.213 5.9948  257.516 9.7157  4.697144       11.41635  
1 1 1 -14 46  4  o 136.293 3.2888  10069.91   485.487  10149.14   548.446  9783.03    1043.61  136.810 3.7012  133.889 7.2233  2.921509       8.116323  
1 1 1 -14 46  5  o 91.412  2.8591  4528.84    283.077  4346.82    395.260  4720.52    405.602  89.521  4.0765  93.292  4.0141  -3.770927      5.721086  
1 1 1 -14 46  6  o 359.721 6.7428  70388.91   2627.11  68350.98   3448.83  73206.02   4054.90  353.862 8.9985  365.790 10.235  -11.92883      13.62800  
1 1 1 -14 46  7  o 185.200 3.6327  18600.27   728.682  19209.13   1029.41  17988.78   1031.62  188.086 5.0531  181.996 5.2334  6.090118       7.274827  
1 1 1 -14 46  8  o 263.219 4.8153  37618.42   1372.82  37354.47   1940.31  37883.00   1942.61  261.949 6.8389  263.803 6.7988  -1.854675      9.643366  
1 1 1 -14 46  9  o 28.972  6.0540  473.593    183.853  522.881    333.319  452.039    220.416  30.776  9.2508  28.264  7.1847  2.512457       11.71314  
1 1 1 -14 46  10 o 276.577 5.7010  41606.11   1707.80  40045.88   2088.86  44751.45   2965.85  271.015 7.1162  285.714 9.5840  -14.69952      11.93705  
1 1 1 -14 46  11 o 244.658 4.4984  32515.51   1192.03  31438.19   1684.82  33595.27   1686.73  240.177 6.4767  248.329 6.2712  -8.152039      9.015256  
1 1 1 -14 46  12 o 43.053  4.0583  1015.59    187.010  1165.31    262.563  861.443    266.424  45.962  5.3758  39.229  6.4978  6.733315       8.433356  
1 1 1 -14 46  13 o 150.877 3.3542  12356.59   548.134  12136.72   773.146  12578.79   777.226  149.349 4.7796  152.054 4.7193  -2.704590      6.716860  
1 1 1 -14 46  14 o 115.849 3.0685  7284.89    385.027  7136.17    543.327  7434.91    545.702  114.523 4.3802  116.904 4.3098  -2.381241      6.144976  
1 1 1 -14 46  15 o 68.672  3.3088  2562.11    246.103  2932.75    359.995  2236.91    337.206  73.227  4.5616  63.859  4.9131  9.368656       6.704200  
1 1 1 -14 46  16 o 94.620  3.1007  4864.76    317.773  4878.75    463.177  4852.33    436.782  94.579  4.5215  94.358  4.2738  0.2208786      6.221697  
1 1 1 -14 46  17 o 143.931 3.3356  11268.96   519.996  11291.91   746.855  11247.36   724.430  143.736 4.7973  143.489 4.6613  0.2470551      6.688972  
1 1 1 -14 46  18 o 122.026 3.2014  8101.40    423.121  7942.59    603.073  8255.36    593.801  120.523 4.6199  122.913 4.4604  -2.390038      6.421706  
1 1 1 -14 46  19 o 139.910 3.2943  10661.86   499.215  10926.89   719.543  10415.88   693.188  141.218 4.7043  137.898 4.6411  3.320282       6.608359  
1 1 1 -14 46  20 o 40.126  4.6230  894.316    197.241  967.154    310.582  845.083    255.342  41.063  7.2482  38.573  6.3315  2.489948       9.624145  
1 1 1 -14 46  21 o 44.783  4.4053  1110.92    210.910  1006.73    339.577  1176.36    269.109  41.634  7.8176  45.809  5.5362  -4.174919      9.579370  
1 1 1 -14 46  22 o 16.815  6.6415  94.354     178.750  207.620    290.426  25.282     226.796  22.274  8.5601  16.935  7.1657  5.339195       11.16344  
1 1 1 -14 46  23 o 36.062  5.5031  739.436    208.137  762.700    414.870  731.611    240.608  35.296  10.247  35.559  6.4862  -0.2627602     12.12762  
1 1 1 -14 46  24 o 80.134  3.4536  3522.14    299.754  3448.10    580.176  3549.10    350.102  77.524  6.9846  80.156  4.0457  -2.631767      8.071710  
1 1 1 -14 46  25 o 54.350  4.2872  1647.14    250.326  1543.69    480.985  1685.56    293.158  50.155  9.1930  54.704  5.0032  -4.549454      10.46630  
1 1 1 -14 46  26 o 34.712  6.2085  712.546    224.849  912.483    440.473  642.086    261.484  36.972  10.505  32.297  7.6014  4.675453       12.96698  
1 1 1 -14 46  27 o 8.9076  2.5992  44.453     26.631   418.770    421.530  42.953     26.685   26.502  10.277  8.7804  2.6126  17.72157       10.60418  
1 1 1 -14 46  28 o ?       ?       -174.2400  39.312   -171.7379  39.469   -487.3601  441.524  ?       ?       16.701  8.0678  0.000000       8.067758  
1 1 1 -14 46  29 o 17.535  7.8941  -30.4408   315.155  -41.8246   435.689  -17.9476   456.427  19.894  9.0842  20.490  9.3337  -0.5963345     13.02459  
1 1 1 -14 46  30 o 25.354  10.559  419.267    480.432  0.0000     0.0000   419.267    480.432  ?       ?       25.354  10.559  0.000000       10.55857  
1 1 1 -14 46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 47  1  o 98.737  3.8289  5286.82    409.469  5474.05    624.391  5145.53    542.383  100.217 5.7768  97.217  5.1696  3.000015       7.752182  
1 1 1 -14 47  2  o 141.454 3.1532  10846.11   483.100  10280.08   556.741  12571.24   971.952  137.688 3.7333  152.111 5.8995  -14.42390      6.981468  
1 1 1 -14 47  3  o 66.274  2.9426  2380.60    211.228  2632.54    236.490  1386.76    469.707  69.689  3.1331  49.652  9.0683  20.03745       9.594316  
1 1 1 -14 47  4  o 115.535 3.0268  7235.13    378.760  7567.73    432.799  6147.15    782.772  118.148 3.3821  106.085 6.8492  12.06296       7.638726  
1 1 1 -14 47  5  o 46.417  3.0549  1172.91    152.727  1149.30    211.973  1198.40    220.240  45.823  4.3220  46.791  4.3973  -0.9684143     6.165709  
1 1 1 -14 47  6  o 71.109  2.7725  2740.52    213.529  2610.76    296.903  2879.55    307.318  69.262  3.9744  72.756  3.9142  -3.494217      5.578262  
1 1 1 -14 47  7  o 228.287 4.3970  28283.34   1087.19  29607.74   1536.10  26954.04   1538.94  233.345 6.0779  222.596 6.3832  10.74919       8.813907  
1 1 1 -14 47  8  o 148.307 3.2772  11926.38   526.420  11812.66   741.158  12042.16   747.826  147.505 4.6391  148.931 4.6360  -1.426208      6.558522  
1 1 1 -14 47  9  o 69.169  3.5981  2602.30    268.633  2655.75    509.400  2581.72    316.171  69.487  6.8578  68.834  4.2618  0.6533051      8.074186  
1 1 1 -14 47  10 o 125.875 3.5693  8596.33    486.619  8684.96    594.230  8415.89    847.877  126.468 4.3382  124.147 6.3266  2.320938       7.671078  
1 1 1 -14 47  11 o 167.075 3.4660  15146.43   627.205  14694.69   884.217  15603.90   889.813  164.396 4.9659  169.421 4.8491  -5.025314      6.940748  
1 1 1 -14 47  12 o 195.271 3.8540  20708.20   815.119  20571.59   1150.69  20845.80   1154.83  194.348 5.4665  195.643 5.4498  -1.294373      7.718995  
1 1 1 -14 47  13 o 147.524 3.3137  11814.65   529.475  11741.61   746.791  11888.49   750.806  146.888 4.6940  147.805 4.6900  -0.9165039     6.635464  
1 1 1 -14 47  14 o 162.061 3.4780  14268.68   610.483  13830.05   859.299  14715.69   867.465  159.285 4.9808  164.328 4.8738  -5.043671      6.968691  
1 1 1 -14 47  15 f 211.962 4.0597  24456.78   932.024  24689.01   1329.48  24232.34   1306.97  212.406 5.7789  210.449 5.7339  1.956635       8.140839  
1 1 1 -14 47  16 o 69.782  3.2602  2647.31    246.410  2147.93    361.759  3079.54    336.556  62.421  5.4041  75.060  4.1560  -12.63945      6.817389  
1 1 1 -14 47  17 o 167.825 3.5747  15333.94   649.779  15821.64   925.318  14859.49   912.664  170.035 5.0244  164.753 5.1146  5.282181       7.169597  
1 1 1 -14 47  18 o 172.447 3.6230  16204.75   676.690  16752.33   963.797  15672.38   950.315  174.812 5.0903  169.043 5.1904  5.769196       7.269900  
1 1 1 -14 47  19 o 125.772 3.2001  8615.02    435.927  8951.81    629.789  8305.24    604.007  127.841 4.5484  123.144 4.5286  4.697334       6.418360  
1 1 1 -14 47  20 o 107.129 3.1664  6253.92    367.404  6531.95    552.956  6034.16    491.613  109.085 4.6801  104.949 4.3249  4.136009       6.372422  
1 1 1 -14 47  21 o 46.982  2.2162  1199.62    112.776  1203.29    123.942  1181.99    271.886  46.973  2.4446  45.889  5.5854  1.083931       6.096965  
1 1 1 -14 47  22 o 47.390  4.2125  1243.68    213.963  1209.14    340.057  1266.32    275.283  45.826  7.0793  47.477  5.4523  -1.650494      8.935560  
1 1 1 -14 47  23 o 57.414  2.4500  1795.64    152.356  1806.32    183.095  1771.59    274.714  57.435  2.9533  56.461  4.5304  0.9739914      5.407975  
1 1 1 -14 47  24 o 29.228  6.8106  503.941    211.605  587.048    412.484  474.258    246.516  31.317  10.407  28.204  7.8052  3.112411       13.00869  
1 1 1 -14 47  25 o 19.331  7.3511  167.886    212.779  29.310     404.800  220.792    250.121  21.512  9.3441  21.361  8.0039  0.1517391      12.30341  
1 1 1 -14 47  26 o 28.132  7.2985  487.017    224.288  515.057    428.856  476.459    263.145  28.838  10.539  27.620  8.2009  1.217886       13.35363  
1 1 1 -14 47  27 o 44.703  6.0828  1188.44    286.870  1046.35    473.947  1270.59    360.382  38.251  10.907  45.148  7.6424  -6.897202      13.31809  
1 1 1 -14 47  28 o 35.344  8.9719  843.853    344.052  887.425    484.928  799.690    488.213  34.295  11.279  32.634  11.315  1.661560       15.97610  
1 1 1 -14 47  29 o 28.222  9.4240  561.369    338.116  761.211    477.377  360.197    478.963  31.283  11.160  25.051  10.496  6.231842       15.32082  
1 1 1 -14 47  30 o 27.659  10.954  586.134    487.432  0.0000     0.0000   586.134    487.432  ?       ?       27.659  10.954  0.000000       10.95375  
1 1 1 -14 48  1  o 398.984 9.6888  86996.26   4186.93  87890.99   5920.92  86101.34   5921.51  399.233 13.693  395.072 13.838  4.161224       19.46781  
1 1 1 -14 48  2  o 109.263 2.8943  6470.60    342.523  6511.56    388.427  6327.38    726.326  109.596 3.2722  107.707 6.2530  1.889275       7.057469  
1 1 1 -14 48  3  o 134.243 3.0796  9768.58    447.769  9248.06    511.957  11462.69   923.605  130.595 3.6194  145.240 5.8712  -14.64586      6.897197  
1 1 1 -14 48  4  o 112.385 2.5474  6844.56    310.088  6473.64    399.095  7409.59    492.572  109.271 3.3721  116.881 3.8909  -7.610352      5.148843  
1 1 1 -14 48  5  o 120.116 3.0148  7820.88    392.222  7974.90    549.290  7660.66    560.243  121.239 4.1830  118.817 4.3534  2.421730       6.037334  
1 1 1 -14 48  6  o 117.135 2.9999  7437.81    380.590  7961.39    534.005  6897.30    542.570  121.137 4.0700  112.732 4.4436  8.405411       6.025859  
1 1 1 -14 48  7  o 192.457 3.7643  20091.92   784.678  19279.63   1108.10  20908.91   1111.31  188.359 5.4315  196.181 5.2300  -7.821915      7.540232  
1 1 1 -14 48  8  o 384.310 6.4241  80397.22   2674.00  77281.19   3779.71  83519.52   3783.51  375.739 9.2876  390.763 8.9395  -15.02448      12.89081  
1 1 1 -14 48  9  o 176.893 4.1738  16986.39   799.672  18486.16   1390.94  16245.94   977.339  184.143 6.9740  172.878 5.2196  11.26511       8.710947  
1 1 1 -14 48  10 o 21.800  6.7722  257.589    176.736  136.147    213.287  523.681    315.716  19.183  7.3443  30.628  8.9530  -11.44500      11.57989  
1 1 1 -14 48  11 o 117.408 3.0049  7476.94    382.115  7428.38    543.458  7524.42    537.378  116.929 4.2912  117.689 4.2157  -0.7601318     6.015518  
1 1 1 -14 48  12 o 70.604  3.0052  2704.61    229.813  2638.50    319.640  2775.35    330.649  69.542  4.2643  71.324  4.3003  -1.782806      6.056108  
1 1 1 -14 48  13 o 258.592 4.7200  36406.19   1322.00  36266.40   1870.81  36545.61   1868.37  257.401 6.7104  258.404 6.6756  -1.003174      9.465400  
1 1 1 -14 48  14 f 218.129 4.1796  25894.34   987.467  25357.80   1393.48  26435.54   1399.52  215.305 5.9755  219.869 5.8768  -4.563736      8.381182  
1 1 1 -14 48  15 o 75.863  3.1684  3127.15    260.338  3379.76    378.002  2899.21    359.073  78.616  4.4576  72.773  4.5789  5.842438       6.390364  
1 1 1 -14 48  16 o 24.083  6.7419  328.624    182.818  98.314     256.639  565.902    260.492  19.510  7.8728  31.362  7.7204  -11.85243      11.02661  
1 1 1 -14 48  17 o 102.002 3.1409  5658.35    347.000  5868.54    498.840  5461.29    483.007  103.661 4.4430  99.997  4.4596  3.664642       6.295091  
1 1 1 -14 48  18 o 143.021 3.3113  11137.41   512.948  10211.71   732.721  12027.10   718.328  136.494 4.9563  148.296 4.4722  -11.80159      6.675729  
1 1 1 -14 48  19 o 55.414  3.7495  1683.67    223.717  1451.99    331.632  1877.15    303.063  50.896  6.1399  58.296  4.8436  -7.399906      7.820417  
1 1 1 -14 48  20 o 12.936  5.7946  -70.2491   167.486  41.664     267.336  -142.5561  214.885  18.623  7.8244  13.842  6.3427  4.781384       10.07232  
1 1 1 -14 48  21 o 65.337  3.5246  2339.84    248.502  2600.76    393.226  2166.35    320.647  68.376  5.3524  62.546  4.7692  5.830231       7.168864  
1 1 1 -14 48  22 o 71.961  3.4317  2832.99    267.475  3247.22    423.688  2558.50    344.890  76.401  5.1501  67.929  4.7169  8.472046       6.983789  
1 1 1 -14 48  23 o 69.163  4.1209  2643.58    307.300  2554.55    530.204  2688.61    377.098  66.484  7.4938  69.407  5.0509  -2.922890      9.037049  
1 1 1 -14 48  24 o 34.828  2.0814  662.461    78.155   979.946    439.455  652.091    79.421   39.540  10.196  34.546  2.1330  4.993320       10.41644  
1 1 1 -14 48  25 o 29.332  6.9341  515.868    216.819  221.067    436.723  612.300    249.776  24.669  10.151  31.836  7.3865  -7.167719      12.55389  
1 1 1 -14 48  26 o 47.859  2.0619  1250.65    106.878  1301.85    115.506  945.831    281.839  48.804  2.1851  39.626  6.8124  9.178215       7.154253  
1 1 1 -14 48  27 o 14.058  6.6196  -218.7660  260.094  -511.9414  446.772  -68.4665   319.890  16.789  8.1116  17.542  7.9201  -0.7530479     11.33693  
1 1 1 -14 48  28 o 32.964  9.5799  757.711    362.421  751.773    497.164  764.446    529.440  31.676  11.380  31.749  11.693  -0.7344627E-01 16.31664  
1 1 1 -14 48  29 o 32.189  1.5226  565.041    53.082   570.498    53.416   132.784    475.444  32.344  1.5248  22.228  9.8725  10.11604       9.989608  
1 1 1 -14 48  30 o 29.130  11.141  679.914    490.441  0.0000     0.0000   679.914    490.441  ?       ?       29.130  11.141  0.000000       11.14058  
1 1 1 -14 49  1  o 84.906  4.1734  3911.11    383.799  3908.92    538.003  3913.39    547.673  84.602  5.9084  84.638  6.0134  -0.3610992E-01 8.430348  
1 1 1 -14 49  2  o 86.064  2.4712  4013.78    230.350  3875.86    254.030  4651.82    546.378  84.565  2.7735  92.376  5.4855  -7.810532      6.146799  
1 1 1 -14 49  3  o 47.607  3.0921  1233.78    158.575  1191.10    174.505  1435.99    379.884  46.740  3.4719  50.878  7.0860  -4.138439      7.890810  
1 1 1 -14 49  4  o 192.731 3.8933  20148.85   812.716  19535.99   1147.57  20765.55   1151.15  189.613 5.5878  195.507 5.4363  -5.893448      7.795905  
1 1 1 -14 49  5  f 143.677 3.1132  11191.29   484.469  10794.02   680.846  11598.75   689.521  141.024 4.4574  146.194 4.3546  -5.169769      6.231489  
1 1 1 -14 49  6  o 354.348 6.0776  68290.01   2332.56  67045.71   3297.31  69536.46   3300.17  350.325 8.6900  356.826 8.5390  -6.501312      12.18323  
1 1 1 -14 49  7  o 251.328 4.6074  34297.34   1254.21  34186.68   1772.56  34408.29   1774.88  250.592 6.5308  251.405 6.5181  -0.8134460     9.226977  
1 1 1 -14 49  8  o 72.285  2.7541  2832.54    215.623  3003.73    301.091  2652.31    308.933  74.310  3.7531  69.784  4.1054  4.526482       5.562361  
1 1 1 -14 49  9  o 148.153 3.7989  11912.04   609.589  10923.31   1060.19  12400.35   745.066  141.523 6.9165  151.089 4.5529  -9.565903      8.280542  
1 1 1 -14 49  10 o 79.075  2.9237  3391.03    250.399  3710.06    354.917  3074.85    353.324  82.661  3.9642  75.107  4.3621  7.554443       5.894298  
1 1 1 -14 49  11 o 146.388 3.2429  11628.52   514.174  12022.19   726.877  11234.26   727.426  148.705 4.5130  143.729 4.6728  4.975754       6.496284  
1 1 1 -14 49  12 o 102.487 2.9151  5698.84    323.586  5783.27    457.915  5614.62    457.326  103.150 4.0987  101.630 4.1547  1.520203       5.836134  
1 1 1 -14 49  13 o 150.432 3.2800  12289.22   534.415  11596.52   752.956  12992.40   758.630  145.907 4.7646  154.482 4.5340  -8.574432      6.577112  
1 1 1 -14 49  14 o 174.952 3.5541  16639.20   673.461  15826.05   954.551  17445.12   950.299  170.261 5.1762  178.831 4.9062  -8.570190      7.131939  
1 1 1 -14 49  15 o 18.874  6.6887  170.612    171.203  242.344    250.550  107.784    234.484  22.572  8.0818  19.064  7.5823  3.508774       11.08180  
1 1 1 -14 49  16 o 59.583  3.5535  1939.02    228.280  2013.02    328.987  1870.31    317.018  60.454  5.0713  58.256  5.0750  2.198029       7.174517  
1 1 1 -14 49  17 o 31.070  1.8385  525.385    61.594   770.294    276.901  512.635    63.177   36.687  7.2256  30.683  1.9105  6.004292       7.473922  
1 1 1 -14 49  18 o 108.933 3.1140  6458.53    367.411  6731.79    530.390  6206.43    509.438  110.934 4.4143  106.517 4.4157  4.417023       6.243759  
1 1 1 -14 49  19 o 129.648 3.2745  9159.49    459.810  9467.37    666.948  8880.59    634.784  131.384 4.6868  127.275 4.6048  4.108833       6.570460  
1 1 1 -14 49  20 o 79.737  3.2169  3467.05    277.821  3214.53    412.078  3677.48    376.168  76.247  5.0179  81.803  4.2604  -5.555466      6.582548  
1 1 1 -14 49  21 o 95.953  3.1668  5024.94    329.115  5259.23    492.957  4836.53    442.069  97.725  4.6573  93.815  4.3506  3.910217       6.373226  
1 1 1 -14 49  22 f 83.314  3.2043  3793.46    289.149  3645.35    431.282  3914.38    389.709  81.028  4.9378  84.227  4.2860  -3.199425      6.538477  
1 1 1 -14 49  23 o 78.239  3.1620  3348.91    267.956  3027.28    351.416  3795.65    414.160  73.912  4.4098  82.691  4.6430  -8.779366      6.403450  
1 1 1 -14 49  24 o 48.455  1.7394  1276.07    91.289   1511.96    134.491  1074.54    124.313  52.664  2.3578  44.291  2.6028  8.373264       3.511944  
1 1 1 -14 49  25 o 37.236  2.3329  760.035    93.610   737.815    474.776  760.934    95.484   33.617  11.165  37.249  2.3791  -3.632065      11.41555  
1 1 1 -14 49  26 o 51.470  5.4479  1535.82    299.088  1963.98    515.045  1317.97    367.378  55.531  8.8612  46.264  7.5953  9.267036       11.67085  
1 1 1 -14 49  27 o 20.924  8.2554  210.434    275.895  344.275    467.836  139.067    341.622  25.638  10.523  20.860  8.8089  4.777641       13.72324  
1 1 1 -14 49  28 o 26.670  9.6006  474.724    354.022  381.249    481.746  584.473    521.999  25.778  10.640  28.859  11.365  -3.081215      15.56876  
1 1 1 -14 49  29 o 26.439  9.4647  486.125    343.621  711.203    493.911  274.988    478.369  30.123  11.255  23.823  10.253  6.300341       15.22474  
1 1 1 -14 49  30 o 23.928  10.248  313.938    473.777  0.0000     0.0000   313.938    473.777  ?       ?       23.928  10.248  0.000000       10.24808  
1 1 1 -14 50  1  o 309.190 7.7296  52111.09   2588.52  51410.91   3659.77  52811.99   3661.66  306.071 11.040  310.267 10.896  -4.195557      15.51138  
1 1 1 -14 50  2  o 275.654 5.7358  41298.50   1712.51  41848.01   1870.59  38453.41   4256.40  277.393 6.2260  262.839 15.014  14.55365       16.25344  
1 1 1 -14 50  3  o 102.437 2.7877  5687.54    309.296  5323.90    351.172  6945.30    653.106  99.092  3.2720  113.068 5.3330  -13.97670      6.256756  
1 1 1 -14 50  4  o 289.051 5.5127  45402.75   1725.86  44625.43   2276.77  46452.73   2646.13  286.185 7.3452  291.720 8.3748  -5.534698      11.13952  
1 1 1 -14 50  5  o 225.217 4.2534  27527.56   1037.56  26296.33   1464.85  28767.15   1469.82  219.869 6.1512  230.007 5.9000  -10.13841      8.523334  
1 1 1 -14 50  6  o 260.651 4.8358  36899.01   1365.20  36530.06   1928.99  37269.25   1932.37  258.962 6.8774  261.582 6.8204  -2.619476      9.685921  
1 1 1 -14 50  7  o 59.322  2.1763  1906.99    139.831  1962.75    254.036  1882.75    167.486  60.013  3.9299  58.936  2.6238  1.077259       4.725332  
1 1 1 -14 50  8  o 73.529  2.2649  2930.05    180.372  2684.60    297.165  3073.24    226.964  70.221  3.9229  75.290  2.7832  -5.069008      4.809915  
1 1 1 -14 50  9  o 75.264  2.8235  3071.63    230.172  3185.42    488.973  3039.25    260.883  76.248  5.9685  74.852  3.2179  1.396187       6.780686  
1 1 1 -14 50  10 o 64.933  3.0153  2287.12    212.068  2678.36    295.353  1870.78    304.682  70.121  3.9044  58.451  4.8567  11.67009       6.231460  
1 1 1 -14 50  11 o 32.352  4.5636  580.336    155.466  694.367    210.425  443.279    230.693  35.249  5.7067  27.967  7.4733  7.282520       9.402984  
1 1 1 -14 50  12 o 124.261 3.0688  8380.67    413.025  8473.65    583.834  8287.52    584.377  124.812 4.3188  123.427 4.3713  1.385101       6.144962  
1 1 1 -14 50  13 o 178.587 3.6952  17337.17   714.758  16845.15   1009.57  17831.64   1012.08  175.684 5.3056  180.790 5.1685  -5.106735      7.406964  
1 1 1 -14 50  14 o 140.980 3.2890  10801.00   502.221  11052.62   713.918  10554.49   706.634  142.370 4.6298  139.112 4.6899  3.257660       6.590125  
1 1 1 -14 50  15 o 176.041 3.6605  16865.46   697.952  16944.16   990.591  16787.87   983.552  176.015 5.1961  175.206 5.1830  0.8093414      7.339075  
1 1 1 -14 50  16 o 54.033  3.7044  1597.36    215.489  1514.77    314.324  1670.61    295.996  52.255  5.6432  55.036  5.0208  -2.781040      7.553469  
1 1 1 -14 50  17 o 92.677  2.8396  4668.88    285.036  4627.92    454.175  4695.49    366.115  91.999  4.5580  92.829  3.6414  -0.8302307     5.833918  
1 1 1 -14 50  18 f 159.893 3.4708  13934.93   601.067  13894.71   856.856  13973.89   843.379  159.124 4.9717  159.616 4.8784  -0.4916992     6.965356  
1 1 1 -14 50  19 o 66.478  2.2953  2400.88    165.270  1385.99    344.272  2704.80    188.398  49.551  6.5773  70.543  2.4658  -20.99244      7.024307  
1 1 1 -14 50  20 o 17.775  6.7694  127.649    180.607  243.013    274.024  39.045     240.149  22.798  8.4100  17.689  7.4231  5.109337       11.21741  
1 1 1 -14 50  21 o 75.536  3.3467  3117.87    273.804  3063.99    427.805  3155.26    356.350  74.183  5.3605  75.630  4.3689  -1.446297      6.915320  
1 1 1 -14 50  22 o 12.797  5.8554  -114.8727  182.231  44.447     325.446  -187.6403  219.945  20.142  8.5565  13.374  6.2289  6.768414       10.58360  
1 1 1 -14 50  23 o 16.900  7.1630  27.792     227.237  -349.3891  409.473  195.645    273.159  17.877  8.3824  21.490  8.2901  -3.613459      11.78945  
1 1 1 -14 50  24 o 14.785  6.4559  -22.0459   195.397  -346.3622  422.665  66.107     220.359  18.112  8.5001  17.325  7.1774  0.7871780      11.12507  
1 1 1 -14 50  25 o 28.621  6.9222  495.696    212.237  515.819    454.038  490.070    240.080  29.287  10.821  28.248  7.6557  1.038591       13.25539  
1 1 1 -14 50  26 o 77.294  2.9284  3294.39    245.158  3951.92    611.029  3168.23    267.645  81.063  7.0290  75.634  3.2672  5.429123       7.751183  
1 1 1 -14 50  27 o 36.498  9.4046  902.486    374.090  965.112    493.696  818.047    573.262  36.121  11.335  32.958  12.163  3.163090       16.62558  
1 1 1 -14 50  28 o 33.755  9.7646  809.819    377.310  852.543    500.574  753.611    574.156  33.158  11.460  31.149  12.018  2.009556       16.60599  
1 1 1 -14 50  29 o 25.678  9.6127  450.295    360.619  413.774    502.044  489.223    518.331  25.689  10.754  26.749  11.039  -1.060041      15.41108  
1 1 1 -14 50  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 51  1  o 32.831  6.7000  607.993    230.182  657.560    318.787  554.001    332.711  34.047  8.6326  31.530  9.1833  2.516781       12.60380  
1 1 1 -14 51  2  o 187.949 3.8080  19162.44   775.192  18778.20   906.771  20205.77   1494.19  185.993 4.5012  192.587 7.1632  -6.594009      8.460063  
1 1 1 -14 51  3  o 142.122 2.9534  10949.79   454.619  10619.47   585.542  11451.10   721.353  139.910 3.8640  145.233 4.5858  -5.322998      5.996643  
1 1 1 -14 51  4  o 171.808 3.5316  16009.67   657.190  15706.76   927.552  16315.02   931.272  170.042 5.0363  173.312 4.9611  -3.269150      7.069427  
1 1 1 -14 51  5  o 110.887 2.8272  6665.54    339.547  7031.85    471.998  6272.64    488.829  113.845 3.8279  107.504 4.1982  6.341385       5.681322  
1 1 1 -14 51  6  o 167.027 3.5928  15134.27   649.967  14852.37   878.967  15474.41   965.498  165.342 4.9082  168.726 5.2832  -3.384064      7.211295  
1 1 1 -14 51  7  o 134.304 3.1568  9782.26    459.200  9941.22    635.374  9608.44    664.413  135.306 4.3355  132.999 4.6123  2.307480       6.330123  
1 1 1 -14 51  8  o 95.953  2.7142  4991.83    282.076  5257.76    412.171  4757.55    386.863  98.418  3.8666  93.622  3.8151  4.795807       5.431929  
1 1 1 -14 51  9  o 117.948 3.4605  7549.60    442.072  7408.61    772.268  7618.32    539.144  116.421 6.1462  118.425 4.2033  -2.003487      7.446063  
1 1 1 -14 51  10 o 194.363 3.8559  20517.91   811.734  20734.22   1147.79  20301.47   1148.14  195.106 5.4315  193.047 5.4911  2.059021       7.723593  
1 1 1 -14 51  11 o 211.607 4.0524  24337.47   928.775  24093.23   1311.01  24583.56   1315.98  210.154 5.7597  212.292 5.7233  -2.137390      8.119720  
1 1 1 -14 51  12 o 108.177 2.9594  6351.64    346.739  6517.20    493.882  6190.72    486.919  109.457 4.1659  106.675 4.2143  2.782387       5.925792  
1 1 1 -14 51  13 o 93.505  2.9860  4747.44    302.405  4512.65    433.911  4969.18    421.682  91.023  4.4013  95.555  4.0744  -4.532425      5.997658  
1 1 1 -14 51  14 o 172.180 3.6089  16125.71   673.026  15315.54   959.592  16910.10   944.201  167.375 5.2933  175.975 4.9538  -8.600281      7.249797  
1 1 1 -14 51  15 o 47.091  3.9487  1216.48    199.545  1388.91    285.962  1052.84    278.582  50.092  5.3536  43.378  6.0978  6.714291       8.114485  
1 1 1 -14 51  16 f 98.133  3.0275  5235.51    321.785  5054.04    471.500  5393.71    440.252  96.187  4.5258  99.446  4.0874  -3.258934      6.098339  
1 1 1 -14 51  17 o 136.780 3.3285  10186.57   493.102  9889.33    697.747  10483.13   696.958  134.382 4.7939  138.404 4.6493  -4.021210      6.678112  
1 1 1 -14 51  18 o 41.062  4.5147  934.075    197.471  877.082    291.606  982.348    268.372  39.133  7.1431  41.749  6.1165  -2.615807      9.404020  
1 1 1 -14 51  19 o 82.635  3.2161  3721.76    287.846  3694.33    420.872  3745.88    394.553  81.886  4.7660  82.553  4.4289  -0.6669846     6.506117  
1 1 1 -14 51  20 o 85.871  3.2651  4023.92    303.679  4199.26    456.182  3884.38    406.954  87.195  4.8495  83.970  4.4909  3.224747       6.609503  
1 1 1 -14 51  21 o 28.098  6.4267  458.770    191.334  576.782    296.342  374.405    250.559  31.182  8.5284  25.637  8.0796  5.545452       11.74797  
1 1 1 -14 51  22 o 15.426  6.5222  21.455     187.650  8.8377     331.948  27.381     227.486  19.765  8.5233  16.935  7.1719  2.829969       11.13923  
1 1 1 -14 51  23 o 45.921  2.2261  1148.03    110.723  1154.43    118.213  1102.27    316.095  45.971  2.3823  43.561  6.9319  2.410095       7.329815  
1 1 1 -14 51  24 o 51.238  4.2955  1465.56    236.181  1590.28    493.865  1428.58    268.928  50.811  9.3172  50.318  5.0007  0.4927521      10.57438  
1 1 1 -14 51  25 o 59.005  2.0919  1899.92    133.690  1703.22    203.836  2048.40    177.102  55.419  3.4125  61.119  2.6753  -5.700184      4.336162  
1 1 1 -14 51  26 o 47.434  1.8023  1227.05    92.593   1301.49    136.202  1163.09    126.254  48.603  2.5968  45.954  2.5466  2.648991       3.637058  
1 1 1 -14 51  27 f 22.016  9.0832  209.408    350.816  5.9871     461.802  486.994    539.458  21.290  9.5731  27.965  11.368  -6.675190      14.86203  
1 1 1 -14 51  28 o 38.714  9.3088  1036.39    385.536  746.629    513.178  1411.84    584.151  31.143  11.505  41.942  12.155  -10.79953      16.73600  
1 1 1 -14 51  29 o 43.558  8.7824  1299.01    400.028  1514.96    534.326  1023.62    603.402  44.153  11.166  33.959  12.487  10.19398       16.75121  
1 1 1 -14 51  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 52  1  o 79.494  4.1706  3439.02    357.841  3437.72    501.830  3440.38    510.406  79.287  5.8856  79.305  5.9863  -0.1786041E-01 8.394988  
1 1 1 -14 52  2  o 21.196  1.1648  244.091    26.639   242.402    26.739   469.706    309.049  21.122  1.1734  29.263  8.9328  -8.140999      9.009571  
1 1 1 -14 52  3  o 155.783 3.3837  13161.56   570.927  11945.50   804.972  14392.47   809.877  148.284 5.0121  162.806 4.5928  -14.52180      6.798147  
1 1 1 -14 52  4  o 34.655  3.5176  658.138    130.206  802.518    180.365  501.007    188.160  38.190  4.4435  29.814  6.0340  8.376148       7.493573  
1 1 1 -14 52  5  o 237.749 4.7485  30704.61   1222.76  29429.34   1621.47  32385.98   1861.83  232.461 6.4400  243.723 7.0530  -11.26170      9.550845  
1 1 1 -14 52  6  o 288.431 5.1558  45225.16   1610.67  44711.58   2276.52  45739.93   2279.16  286.228 7.3433  289.524 7.2681  -3.295593      10.33192  
1 1 1 -14 52  7  o 78.138  2.7561  3310.37    233.254  3376.55    328.287  3242.89    331.478  78.872  3.8429  77.187  3.9785  1.684990       5.531430  
1 1 1 -14 52  8  o 111.919 2.8035  6792.49    339.841  6912.21    477.043  6669.13    484.254  112.830 3.9036  110.819 4.0345  2.011505       5.613827  
1 1 1 -14 52  9  o 181.081 5.7354  17868.22   1124.88  18209.28   1432.29  17319.22   1817.17  182.464 7.2474  177.079 9.5094  5.384735       11.95629  
1 1 1 -14 52  10 o 156.586 3.3849  13310.46   574.083  13726.53   815.107  12900.93   808.682  158.831 4.7382  153.963 4.8494  4.867828       6.779908  
1 1 1 -14 52  11 o 114.271 2.9700  7086.47    367.587  7093.70    516.008  7079.03    523.773  114.211 4.1714  114.085 4.2388  0.1258774      5.947078  
1 1 1 -14 52  12 o 165.367 3.4431  14857.81   616.688  14072.65   873.731  15637.24   870.535  160.643 5.0216  169.401 4.7446  -8.757629      6.908545  
1 1 1 -14 52  13 o 95.521  3.0300  4955.62    313.476  5131.53    451.162  4791.43    435.877  97.060  4.2916  93.788  4.2909  3.271439       6.068755  
1 1 1 -14 52  14 o 143.673 3.3138  11222.56   515.672  11031.49   732.421  11410.37   726.161  142.151 4.7571  144.600 4.6365  -2.449463      6.642837  
1 1 1 -14 52  15 o 106.398 3.0322  6153.03    349.433  6218.03    503.745  6092.75    485.126  106.751 4.3568  105.692 4.2378  1.059464       6.077902  
1 1 1 -14 52  16 o 157.509 3.5028  13508.92   597.577  14301.97   867.197  12791.86   824.612  161.626 4.9538  152.846 4.9811  8.779999       7.025027  
1 1 1 -14 52  17 o 124.646 3.1976  8457.94    431.687  8838.14    636.886  8134.81    587.139  127.054 4.6281  121.945 4.4453  5.108940       6.417200  
1 1 1 -14 52  18 o 21.330  7.0167  243.979    187.684  149.970    264.923  338.703    265.930  20.666  8.1099  25.069  8.3573  -4.403238      11.64544  
1 1 1 -14 52  19 o 112.649 3.1484  6916.53    384.143  6538.13    554.219  7266.42    532.928  109.098 4.6902  115.153 4.2729  -6.054222      6.344757  
1 1 1 -14 52  20 o 44.647  4.5864  1107.48    218.636  1272.56    314.155  952.425    304.468  47.406  6.2725  40.620  7.1831  6.785305       9.536328  
1 1 1 -14 52  21 o 23.944  7.0304  330.212    194.299  -63.7117   304.537  600.647    252.329  18.012  7.9555  31.961  7.4301  -13.94849      10.88561  
1 1 1 -14 52  22 o 70.166  3.7468  2710.11    283.713  2849.33    426.817  2599.89    379.756  71.264  5.5741  68.219  5.1782  3.045227       7.608178  
1 1 1 -14 52  23 o 51.706  4.5879  1492.55    254.266  1414.57    391.659  1549.36    334.290  49.083  7.6140  52.137  6.0311  -3.054573      9.713277  
1 1 1 -14 52  24 o 40.263  5.1810  923.931    220.695  1010.76    462.807  898.375    251.081  39.471  10.601  39.333  6.0905  0.1381836      12.22597  
1 1 1 -14 52  25 o 31.976  6.5252  615.353    218.342  1018.02    463.169  500.302    247.577  38.635  10.701  28.314  7.8164  10.32078       13.25185  
1 1 1 -14 52  26 o ?       ?       -234.6826  23.075   174.669    444.967  -235.7864  23.106   23.235  9.9409  ?       ?       0.000000       9.940862  
1 1 1 -14 52  27 o 22.706  9.2222  250.485    354.637  681.955    468.219  -330.1231  543.145  30.797  11.046  19.874  9.4205  10.92370       14.51737  
1 1 1 -14 52  28 o 25.690  9.6722  434.733    366.110  461.032    482.702  399.114    561.759  26.624  10.778  26.288  11.206  0.3360176      15.54843  
1 1 1 -14 52  29 o 32.704  1.6284  584.116    57.682   588.574    57.977   149.808    572.247  32.828  1.6306  23.311  10.552  9.517300       10.67772  
1 1 1 -14 53  1  o 153.171 3.6080  12727.74   598.574  12034.77   726.268  14195.36   1056.93  148.870 4.5042  161.507 6.0421  -12.63681      7.536198  
1 1 1 -14 53  2  o 183.977 3.3914  18358.54   675.782  18075.95   895.827  18731.72   1029.44  182.445 4.5334  185.654 5.1195  -3.209579      6.838186  
1 1 1 -14 53  3  o 86.689  2.7515  4073.99    258.348  3860.12    362.520  4294.69    368.265  84.336  3.9687  88.964  3.8219  -4.627533      5.509755  
1 1 1 -14 53  4  o 159.804 3.4343  13852.75   594.424  13672.97   839.435  14033.56   841.856  158.629 4.8858  160.713 4.8364  -2.083496      6.874676  
1 1 1 -14 53  5  o 219.959 4.1131  26266.40   979.891  26101.97   1384.32  26431.52   1387.24  218.994 5.8362  220.377 5.8118  -1.382675      8.236455  
1 1 1 -14 53  6  o 198.605 3.8226  21409.72   822.288  22020.27   1161.55  20796.35   1164.23  201.201 5.3301  195.502 5.4982  5.699127       7.657698  
1 1 1 -14 53  7  o 97.153  2.8188  5118.46    296.610  5334.28    420.880  4905.51    418.073  99.118  3.9204  95.042  4.0613  4.076004       5.644826  
1 1 1 -14 53  8  o 181.460 3.6673  17876.67   720.771  18778.61   1018.96  16973.44   1019.69  185.772 5.0641  176.572 5.3318  9.199951       7.353490  
1 1 1 -14 53  9  o 81.888  4.1607  3653.59    367.810  3930.59    524.651  3385.86    515.788  84.717  5.7519  78.539  6.1115  6.177277       8.392543  
1 1 1 -14 53  10 o 143.725 3.3344  11215.29   519.057  11077.37   710.343  11373.30   760.317  142.675 4.5967  144.528 4.8570  -1.852661      6.687361  
1 1 1 -14 53  11 o 178.817 3.6406  17376.46   705.100  17365.40   993.307  17387.70   1001.06  178.455 5.1391  178.561 5.1761  -0.1056824     7.293996  
1 1 1 -14 53  12 o 80.246  2.6966  3494.79    234.373  3796.50    375.209  3301.74    300.128  83.515  4.1480  77.936  3.5555  5.579056       5.463292  
1 1 1 -14 53  13 o 81.921  3.0713  3645.82    272.516  3697.49    392.792  3597.87    378.401  82.243  4.4258  81.142  4.3212  1.100952       6.185493  
1 1 1 -14 53  14 o 66.952  3.2004  2436.86    232.078  2169.61    328.358  2703.63    328.058  62.834  4.8627  70.279  4.3308  -7.445251      6.511672  
1 1 1 -14 53  15 o 56.949  3.5090  1771.85    215.385  1546.23    307.390  1989.47    301.886  52.842  5.4490  60.165  4.6692  -7.322968      7.175916  
1 1 1 -14 53  16 o 52.665  3.9301  1521.13    222.565  1109.17    337.699  1837.48    295.929  44.165  7.3156  57.752  4.7738  -13.58625      8.735401  
1 1 1 -14 53  17 o 130.343 3.2532  9252.15    459.265  10134.52   661.030  8428.77    638.549  136.076 4.4851  124.016 4.7539  12.05946       6.535678  
1 1 1 -14 53  18 o 51.661  3.8617  1465.94    214.512  1434.90    317.628  1491.97    290.867  50.635  5.9023  51.814  5.2557  -1.178951      7.903129  
1 1 1 -14 53  19 o 51.761  3.9296  1474.24    218.657  1475.74    323.410  1472.98    296.762  51.278  5.9326  51.378  5.4143  -0.1004562     8.031884  
1 1 1 -14 53  20 o 34.305  1.4277  638.332    53.049   547.965    300.969  641.229    53.892   30.489  8.6910  34.382  1.4472  -3.893261      8.810667  
1 1 1 -14 53  21 f 48.235  4.2446  1289.55    219.497  1596.10    333.422  1055.09    291.596  53.181  5.8873  42.923  6.4735  10.25835       8.750190  
1 1 1 -14 53  22 o 21.740  7.6408  246.499    222.986  424.934    340.863  113.010    294.824  27.523  9.4596  20.429  8.3656  7.093386       12.62805  
1 1 1 -14 53  23 o 23.491  1.0872  299.269    27.662   339.249    40.916   265.611    37.542   24.949  1.5214  22.058  1.5819  2.891012       2.194800  
1 1 1 -14 53  24 o 70.920  3.5760  2783.23    273.801  2981.84    560.561  2721.00    313.777  71.030  7.3947  69.856  4.1661  1.174614       8.487546  
1 1 1 -14 53  25 o 54.793  4.1863  1691.34    246.563  2250.41    513.829  1524.10    281.032  60.350  8.0624  51.518  5.1037  8.832642       9.542022  
1 1 1 -14 53  26 o 32.632  7.5816  670.954    262.849  747.875    475.668  637.141    315.374  32.454  11.174  31.083  8.9086  1.370903       14.29025  
1 1 1 -14 53  27 o 31.447  9.7306  688.879    365.277  430.241    483.576  1032.53    557.417  26.676  10.792  36.248  12.100  -9.571978      16.21372  
1 1 1 -14 53  28 o 47.190  2.5853  1232.88    131.638  1225.75    133.992  1430.56    705.291  47.030  2.6411  39.490  13.605  7.540554       13.85916  
1 1 1 -14 53  29 o 45.144  8.5814  1379.40    404.251  1446.85    539.012  1292.69    611.153  42.717  11.427  38.192  12.667  4.524361       17.05915  
1 1 1 -14 54  1  o 207.415 4.6240  23370.51   1038.78  23047.06   1176.45  24514.99   2212.97  205.878 5.2759  211.332 9.6681  -5.453568      11.01390  
1 1 1 -14 54  2  f 132.889 2.7045  9573.77    389.267  8910.76    505.125  10543.31   610.828  128.150 3.6392  139.364 4.0467  -11.21413      5.442382  
1 1 1 -14 54  3  o 45.157  3.0436  1110.82    147.993  929.329    205.099  1307.96    213.758  41.094  4.6922  48.917  4.0715  -7.823074      6.212391  
1 1 1 -14 54  4  o 198.205 3.8870  21324.01   834.457  21330.76   1178.96  21317.22   1181.24  198.008 5.4973  197.943 5.5097  0.6489563E-01  7.783106  
1 1 1 -14 54  5  o 206.299 3.9621  23106.20   885.313  23124.47   1250.61  23087.84   1253.44  206.122 5.6018  205.956 5.6190  0.1665039      7.934302  
1 1 1 -14 54  6  o 63.809  2.7347  2207.77    189.002  2293.45    263.582  2117.09    271.157  64.889  3.7666  62.308  4.0398  2.581573       5.523298  
1 1 1 -14 54  7  o 169.704 3.4402  15630.50   632.329  15777.02   894.330  15484.03   894.166  170.314 4.8482  168.719 4.8931  1.595688       6.888183  
1 1 1 -14 54  8  o 131.260 3.0564  9348.00    434.520  9445.47    613.661  9249.98    615.351  131.822 4.2980  130.444 4.3554  1.377777       6.119040  
1 1 1 -14 54  9  o 161.971 4.8797  14282.40   856.059  14784.10   1211.65  13782.35   1209.66  164.384 6.8053  158.661 7.0392  5.723190       9.790900  
1 1 1 -14 54  10 o 87.453  2.7089  4149.43    256.594  4526.35    384.841  3847.75    344.293  91.250  3.8938  84.142  3.7779  7.108513       5.425325  
1 1 1 -14 54  11 f 96.031  2.9495  5006.37    306.779  5004.67    437.793  5008.00    430.012  95.894  4.2151  95.934  4.1385  -0.4048920E-01 5.907112  
1 1 1 -14 54  12 o 45.691  2.2592  1132.39    111.801  1263.90    284.746  1108.43    121.563  47.754  5.6122  45.128  2.4968  2.626450       6.142564  
1 1 1 -14 54  13 o 70.746  3.1466  2719.89    241.105  2518.37    334.978  2936.51    347.303  67.790  4.5893  73.259  4.3974  -5.468857      6.356014  
1 1 1 -14 54  14 o 45.000  4.0589  1112.46    195.700  1268.59    270.078  939.856    283.969  47.856  5.2995  40.810  6.6538  7.046234       8.506320  
1 1 1 -14 54  15 o 39.266  4.6799  854.461    195.111  823.487    275.440  885.657    276.421  38.041  6.9409  39.544  6.6926  -1.503761      9.641901  
1 1 1 -14 54  16 o 76.235  3.3319  3164.65    275.117  3316.24    400.811  3029.59    378.311  77.673  4.7876  74.241  4.7294  3.432007       6.729675  
1 1 1 -14 54  17 o 108.276 3.1966  6384.29    374.881  5759.56    541.136  6960.79    519.828  102.467 4.8759  112.819 4.2541  -10.35182      6.470816  
1 1 1 -14 54  18 o 52.094  4.0383  1492.96    226.071  1782.21    334.968  1250.99    306.369  56.582  5.5367  47.151  6.1451  9.431213       8.271488  
1 1 1 -14 54  19 o 111.994 3.2227  6841.93    390.912  6901.43    552.671  6782.37    552.995  112.077 4.5528  111.090 4.5959  0.9860764      6.469230  
1 1 1 -14 54  20 o 47.704  2.1391  1236.93    110.526  1210.85    316.569  1240.54    117.948  46.097  6.5226  47.762  2.2800  -1.664963      6.909651  
1 1 1 -14 54  21 o 45.623  4.4562  1158.08    217.389  1138.89    329.065  1172.94    289.576  44.369  7.0859  45.427  6.0348  -1.057678      9.307425  
1 1 1 -14 54  22 f 24.448  7.7877  341.681    232.299  379.272    341.717  309.383    316.744  26.525  9.4445  24.708  9.0528  1.817146       13.08252  
1 1 1 -14 54  23 o 17.333  2.6352  167.719    47.912   821.227    355.197  155.609    48.354   36.481  9.0363  16.655  2.7784  19.82693       9.453771  
1 1 1 -14 54  24 o 72.778  3.5238  2926.21    277.765  2902.39    565.330  2933.78    318.914  69.707  7.6115  72.525  4.0764  -2.818176      8.634342  
1 1 1 -14 54  25 f 59.416  4.0911  1985.83    261.675  2525.64    529.718  1811.58    300.959  64.123  7.7869  56.228  4.9938  7.894920       9.250587  
1 1 1 -14 54  26 o 20.668  7.9366  217.487    249.540  421.058    451.318  127.849    299.481  26.701  10.551  19.884  8.3131  6.817648       13.43255  
1 1 1 -14 54  27 o 37.823  9.2264  975.422    374.605  839.251    495.517  1157.05    572.280  33.227  11.406  38.051  12.234  -4.823959      16.72655  
1 1 1 -14 54  28 o 27.215  9.7906  518.722    368.120  540.894    487.440  489.290    561.603  27.658  10.954  27.188  11.377  0.4695396      15.79303  
1 1 1 -14 54  29 o 36.453  9.7341  968.964    391.565  756.116    520.217  1247.17    594.750  30.518  11.521  37.723  12.495  -7.205353      16.99535  
1 1 1 -14 55  1  o 152.676 4.7217  12668.32   780.804  12223.25   1102.30  13116.52   1106.16  149.687 6.7990  155.095 6.5849  -5.408188      9.465070  
1 1 1 -14 55  2  o 91.117  2.3969  4500.24    236.544  4396.78    303.067  4661.51    378.376  90.035  3.1078  92.673  3.7697  -2.637314      4.885577  
1 1 1 -14 55  3  o 63.120  2.7883  2160.35    190.626  1989.04    266.179  2340.73    273.126  60.384  4.0941  65.551  3.8640  -5.166977      5.629557  
1 1 1 -14 55  4  o 116.852 2.9493  7405.32    373.270  7336.96    527.618  7473.82    528.151  116.225 4.1913  117.307 4.1569  -1.081810      5.903103  
1 1 1 -14 55  5  o 155.917 3.3902  13191.89   572.519  12962.72   807.811  13423.17   811.529  154.396 4.8306  157.123 4.7686  -2.726456      6.787834  
1 1 1 -14 55  6  o 47.436  3.0909  1225.92    157.939  1079.62    219.038  1384.35    227.948  44.322  4.6311  50.300  4.2231  -5.977844      6.267541  
1 1 1 -14 55  7  o 108.974 2.8682  6441.67    338.534  7111.48    480.215  5779.92    477.317  114.422 3.8749  103.122 4.2735  11.30030       5.768678  
1 1 1 -14 55  8  o 157.616 3.3522  13486.60   572.271  13859.55   809.199  13113.44   809.427  159.595 4.6813  155.219 4.8146  4.376526       6.715291  
1 1 1 -14 55  9  o 51.988  4.7999  1484.14    267.222  1162.33    381.938  1792.71    374.004  45.323  8.0766  56.951  6.1614  -11.62851      10.15848  
1 1 1 -14 55  10 o 66.840  2.4341  2423.30    176.218  2138.95    295.604  2580.05    219.479  62.533  4.3923  68.943  2.9392  -6.409985      5.285029  
1 1 1 -14 55  11 o 50.576  3.4691  1396.77    188.888  1527.92    264.945  1261.21    269.365  52.738  4.6872  47.771  5.2950  4.966545       7.071571  
1 1 1 -14 55  12 o 60.937  2.5073  2015.16    165.484  1901.17    318.162  2057.43    193.754  58.790  5.0455  61.550  2.9064  -2.760307      5.822692  
1 1 1 -14 55  13 o 56.326  3.4981  1732.48    212.356  1542.09    292.912  1943.42    308.314  52.854  5.1834  59.458  4.8293  -6.603500      7.084429  
1 1 1 -14 55  14 f 55.886  3.5706  1706.93    215.003  1734.41    298.930  1677.49    309.463  56.100  4.9712  55.109  5.2480  0.9903107      7.228701  
1 1 1 -14 55  15 o 95.443  3.1192  4954.94    322.445  5018.65    455.300  4890.83    456.714  95.849  4.3857  94.607  4.4571  1.241905       6.252994  
1 1 1 -14 55  16 o 56.420  3.8044  1744.38    231.128  1890.61    318.207  1581.07    336.270  58.490  5.0732  53.244  5.9319  5.246269       7.805414  
1 1 1 -14 55  17 o 48.219  4.1821  1280.87    216.257  1391.94    308.178  1173.11    303.540  49.907  5.8100  45.630  6.3107  4.276672       8.577920  
1 1 1 -14 55  18 o 34.334  5.5751  666.759    200.212  709.585    287.014  626.169    279.422  34.883  7.7931  32.718  7.9608  2.164337       11.14032  
1 1 1 -14 55  19 o 39.051  5.0671  854.640    209.270  732.914    293.395  980.707    298.579  35.352  7.8654  41.334  6.9135  -5.982212      10.47186  
1 1 1 -14 55  20 o 6.5382  2.7132  5.4826     31.565   282.167    286.645  2.0862     31.758   23.804  8.6286  6.3816  2.6898  17.42198       9.038095  
1 1 1 -14 55  21 o 80.434  3.2895  3539.33    286.578  3870.46    425.454  3264.32    387.734  83.542  4.7213  76.713  4.6890  6.828842       6.654127  
1 1 1 -14 55  22 o 37.109  6.3910  797.196    247.603  823.945    370.682  775.645    332.714  36.670  9.3148  35.781  8.6751  0.8898239      12.72880  
1 1 1 -14 55  23 o 3.6584  1.8239  -75.9739   29.062   -76.2474   29.110   5.1261     501.254  3.6590  1.8244  23.298  10.252  -19.63873      10.41306  
1 1 1 -14 55  24 o 15.483  6.9050  -54.9363   235.023  139.333    433.086  -136.0285  279.808  23.095  9.8420  15.845  7.2523  7.249225       12.22544  
1 1 1 -14 55  25 o 52.835  4.3523  1580.46    246.852  1389.81    518.552  1636.32    280.697  44.828  10.807  53.461  4.9023  -8.632973      11.86646  
1 1 1 -14 55  26 o 22.220  9.1312  214.772    352.795  1.3174     468.559  494.187    536.089  21.456  9.6455  28.214  11.381  -6.758593      14.91852  
1 1 1 -14 55  27 o 24.804  9.5857  375.521    365.719  365.259    487.286  388.757    553.411  25.608  10.646  26.420  11.187  -0.8122406     15.44334  
1 1 1 -14 55  28 o 24.208  9.5523  361.950    369.435  180.352    494.082  592.219    556.367  22.979  10.142  28.370  11.540  -5.391333      15.36348  
1 1 1 -14 55  29 o 16.300  7.6997  -231.6210  356.991  24.079     481.011  -545.1741  532.653  21.046  9.5849  17.771  8.6491  3.275005       12.91033  
1 1 1 -14 56  1  o 54.863  3.1251  1638.12    184.935  1477.23    212.109  2148.10    377.642  52.026  3.7902  62.558  5.6339  -10.53225      6.790229  
1 1 1 -14 56  2  o 102.985 2.9081  5752.21    324.380  5192.87    456.294  6323.71    461.231  97.764  4.3092  107.913 3.9462  -10.14925      5.843049  
1 1 1 -14 56  3  o 115.312 2.9013  7211.72    362.363  6826.78    509.201  7606.67    515.780  112.101 4.1938  118.345 4.0239  -6.244774      5.812017  
1 1 1 -14 56  4  o 243.085 4.7042  32130.54   1238.55  32425.43   1884.54  31906.31   1643.30  243.556 7.1439  241.855 6.2732  1.700546       9.507298  
1 1 1 -14 56  5  o 75.425  2.3325  3084.04    190.545  3356.37    305.639  2910.90    243.701  78.628  3.5889  73.249  3.0717  5.379471       4.723950  
1 1 1 -14 56  6  o 18.714  1.3941  190.781    28.054   351.303    162.304  185.837    28.483   24.886  6.0747  18.465  1.4355  6.420740       6.241991  
1 1 1 -14 56  7  o 54.377  1.9668  1602.63    115.834  1515.89    240.536  1628.82    132.169  52.633  4.2558  54.813  2.2263  -2.179379      4.802912  
1 1 1 -14 56  8  o 113.131 2.8763  6944.80    352.439  6995.72    496.648  6893.14    500.220  113.437 4.0423  112.595 4.1018  0.8412247      5.758845  
1 1 1 -14 56  9  o 181.892 4.2426  18001.45   835.830  18063.35   1021.47  17876.03   1454.02  181.995 5.1820  180.383 7.4423  1.612747       9.068623  
1 1 1 -14 56  10 o 148.886 3.3088  12042.82   533.582  12130.60   749.263  11952.49   760.050  149.200 4.6366  148.080 4.7389  1.119873       6.629826  
1 1 1 -14 56  11 o 179.055 3.6461  17436.27   707.111  16961.04   997.448  17916.41   1002.59  176.204 5.2264  181.133 5.1104  -4.929062      7.309661  
1 1 1 -14 56  12 f 58.924  2.2992  1883.79    146.737  1756.45    291.517  1926.99    169.819  56.522  4.8075  59.579  2.6316  -3.057156      5.480687  
1 1 1 -14 56  13 o 76.022  3.2494  3142.48    267.553  2836.58    388.544  3418.34    368.969  71.856  5.0240  79.050  4.3258  -7.194336      6.629727  
1 1 1 -14 56  14 o 75.302  3.1641  3083.87    258.067  2790.29    362.021  3387.19    367.976  71.293  4.7149  78.656  4.3361  -7.362930      6.405645  
1 1 1 -14 56  15 o 169.293 3.5797  15616.24   656.385  14980.01   927.842  16253.65   928.697  165.256 5.1838  172.223 4.9787  -6.966888      7.187392  
1 1 1 -14 56  16 o 60.609  2.6505  1996.71    173.994  2484.76    334.923  1816.30    203.628  67.204  4.6295  57.659  3.2741  9.545406       5.670305  
1 1 1 -14 56  17 o 97.281  3.1513  5154.76    332.032  4860.19    475.000  5436.22    464.312  94.138  4.6586  99.653  4.3018  -5.514587      6.340988  
1 1 1 -14 56  18 o 95.863  3.2451  5011.72    336.940  4944.21    474.556  5080.35    478.478  94.875  4.6181  96.180  4.5931  -1.304581      6.513362  
1 1 1 -14 56  19 o 18.629  7.0690  144.598    196.497  -12.0620   277.292  302.614    278.489  17.974  7.7703  24.199  8.5357  -6.225521      11.54279  
1 1 1 -14 56  20 o 82.439  2.8623  3706.61    255.579  3922.72    424.402  3583.64    320.139  84.194  4.6723  80.881  3.6545  3.313316       5.931770  
1 1 1 -14 56  21 o 15.328  1.7448  129.248    28.450   65.188     282.059  129.906    28.596   19.270  8.0630  15.367  1.7493  3.902739       8.250582  
1 1 1 -14 56  22 o 29.021  1.2233  456.875    38.453   4.8105     374.517  461.691    38.657   20.686  8.9864  29.174  1.2234  -8.488029      9.069272  
1 1 1 -14 56  23 o 26.483  7.8966  422.866    243.597  544.548    367.800  327.780    325.130  29.759  9.8242  24.800  9.1582  4.959112       13.43084  
1 1 1 -14 56  24 o 49.315  5.5116  1405.64    289.357  1790.49    508.294  1221.13    351.951  53.046  9.1791  44.751  7.5285  8.295170       11.87157  
1 1 1 -14 56  25 o 44.468  2.5382  1088.85    121.741  1041.87    130.370  1408.91    340.282  43.421  2.7868  48.462  6.6589  -5.040215      7.218514  
1 1 1 -14 56  26 o 29.283  9.8179  582.351    366.985  947.439    492.078  124.803    550.875  35.787  11.328  23.941  10.631  11.84570       15.53453  
1 1 1 -14 56  27 o 51.175  7.5682  1657.62    406.835  1771.10    551.274  1521.91    602.888  49.685  10.569  43.726  12.244  5.958649       16.17452  
1 1 1 -14 56  28 o 26.507  9.8211  488.526    374.522  264.240    505.440  761.607    557.718  23.998  10.432  30.680  11.843  -6.682470      15.78251  
1 1 1 -14 57  1  o 177.134 3.3429  17028.08   641.358  16567.22   906.531  17489.92   907.503  174.524 4.7958  179.338 4.6720  -4.814117      6.695306  
1 1 1 -14 57  2  o 215.215 4.0397  25161.42   941.660  25079.59   1331.12  25243.40   1332.30  214.528 5.7288  215.231 5.7151  -0.7026215     8.092088  
1 1 1 -14 57  3  o 205.350 4.0954  22910.63   910.888  22780.73   1286.93  23041.04   1289.46  204.431 5.8121  205.601 5.7905  -1.169617      8.204286  
1 1 1 -14 57  4  o 204.167 4.4415  22662.64   982.164  22595.06   1389.81  22730.06   1388.17  203.458 6.3068  204.072 6.2804  -0.6135406     8.900545  
1 1 1 -14 57  5  o 50.221  2.9488  1373.06    159.695  1676.14    224.337  1061.71    227.381  55.426  3.7592  43.905  4.8633  11.52071       6.146786  
1 1 1 -14 57  6  o 192.564 3.9215  20149.52   817.891  20089.74   1225.80  20197.48   1098.06  191.869 5.8986  192.532 5.2657  -0.6629944     7.906971  
1 1 1 -14 57  7  o 219.180 4.1260  26121.38   979.479  27112.44   1386.50  25134.06   1383.89  222.878 5.7436  214.529 5.9559  8.348541       8.274117  
1 1 1 -14 57  8  o 136.121 3.1300  10059.73   461.465  9471.86    631.322  10734.17   676.209  131.919 4.4185  140.430 4.4458  -8.511230      6.268026  
1 1 1 -14 57  9  o 97.023  3.2745  5113.41    344.103  4971.21    419.902  5404.17    600.424  95.587  4.0558  99.300  5.6055  -3.712379      6.918935  
1 1 1 -14 57  10 o 162.265 3.4558  14311.81   607.365  13868.33   850.844  14772.58   867.278  159.428 4.9274  164.559 4.8659  -5.130722      6.925045  
1 1 1 -14 57  11 o 55.272  3.4445  1667.43    205.180  1504.81    281.103  1852.85    300.171  52.255  5.0288  58.070  4.8160  -5.814827      6.962887  
1 1 1 -14 57  12 o 197.987 4.0965  21359.52   878.453  21240.77   1176.72  21509.02   1320.28  196.944 5.5165  197.913 6.1591  -0.9692230     8.268383  
1 1 1 -14 57  13 f 84.380  3.1119  3870.80    284.404  3928.08    404.492  3814.79    399.963  84.723  4.4233  83.486  4.4391  1.237144       6.266710  
1 1 1 -14 57  14 o 80.695  3.1337  3541.84    273.886  3556.77    384.429  3526.45    390.304  80.573  4.4220  80.209  4.5111  0.3641129      6.316945  
1 1 1 -14 57  15 o 27.621  6.5626  438.509    193.429  259.332    262.567  651.150    286.037  23.109  8.2734  33.499  7.9947  -10.38963      11.50494  
1 1 1 -14 57  16 o 62.980  2.6797  2156.45    182.788  2518.40    358.129  2028.95    212.560  67.574  4.9271  60.951  3.2313  6.622856       5.892207  
1 1 1 -14 57  17 o 23.671  6.9648  318.312    190.512  510.686    270.778  129.739    268.090  29.631  8.1723  20.307  8.0978  9.323580       11.50482  
1 1 1 -14 57  18 o 55.331  3.8938  1683.53    231.867  1823.59    332.143  1550.39    323.833  57.203  5.4258  52.602  5.7792  4.600800       7.927065  
1 1 1 -14 57  19 o 15.559  6.5639  21.937     189.398  -22.7731   258.768  73.524     277.958  17.192  7.4692  19.411  8.0530  -2.218912      10.98360  
1 1 1 -14 57  20 o 25.389  1.3435  350.639    36.814   173.687    277.893  353.800    37.141   21.242  8.3147  25.503  1.3494  -4.261795      8.423441  
1 1 1 -14 57  21 o 62.164  2.6448  2107.15    178.074  2247.07    385.405  2069.17    200.793  63.185  5.6927  61.539  3.0125  1.646416       6.440683  
1 1 1 -14 57  22 o 32.124  2.0946  564.101    72.479   603.212    365.762  562.502    73.945   31.398  9.7406  32.071  2.1410  -0.6734371     9.973101  
1 1 1 -14 57  23 o 50.165  2.1950  1372.91    119.261  1427.87    126.780  950.370    351.542  51.142  2.2888  39.151  8.5313  11.99148       8.832974  
1 1 1 -14 57  24 o 54.860  5.2284  1729.38    306.903  1616.74    522.922  1788.57    379.052  49.411  10.112  54.972  6.4916  -5.560966      12.01618  
1 1 1 -14 57  25 o 45.047  5.8899  1196.15    280.492  1230.97    511.383  1181.17    335.455  41.617  11.129  43.838  7.3233  -2.221748      13.32253  
1 1 1 -14 57  26 o 41.349  8.8436  1128.25    384.077  742.997    515.705  1608.09    575.541  31.784  11.566  46.802  11.448  -15.01742      16.27347  
1 1 1 -14 57  27 o 25.298  9.6581  408.947    368.198  41.315     493.184  871.880    553.428  21.793  9.8372  32.974  11.984  -11.18085      15.50420  
1 1 1 -14 57  28 o 18.032  8.2455  -71.4817   360.560  418.873    485.492  -674.5858  538.422  25.807  10.669  17.291  8.4751  8.515913       13.62586  
1 1 1 -14 58  1  o 77.779  2.5808  3280.70    217.417  3239.49    244.033  3439.31    478.750  77.275  2.9157  79.239  5.6146  -1.964851      6.326520  
1 1 1 -14 58  2  o 211.673 4.1918  24352.70   961.018  25325.16   1283.02  23109.80   1450.50  215.577 5.4949  205.674 6.5113  9.902878       8.520068  
1 1 1 -14 58  3  o 167.796 3.4182  15285.18   621.219  15245.72   877.324  15324.86   879.755  167.372 4.8396  167.806 4.8404  -0.4337158     6.844789  
1 1 1 -14 58  4  f 125.511 3.0287  8548.18    411.733  8195.88    588.600  8885.75    576.157  122.759 4.4269  127.853 4.1606  -5.093796      6.075209  
1 1 1 -14 58  5  o 237.251 4.3767  30615.93   1124.67  31381.83   1590.07  29849.14   1590.98  239.701 6.1246  233.722 6.2848  5.979324       8.775508  
1 1 1 -14 58  6  f 151.926 3.2975  12532.73   542.609  12744.77   764.963  12318.01   769.791  153.014 4.6157  150.411 4.7252  2.602158       6.605497  
1 1 1 -14 58  7  o 10.876  4.7797  -29.3524   108.650  79.137     149.489  -150.8354  158.188  15.587  6.0991  11.284  5.2645  4.303096       8.056940  
1 1 1 -14 58  8  o 32.116  1.6826  560.547    58.325   433.482    360.587  563.960    59.103   28.815  9.7316  32.213  1.7000  -3.397194      9.878994  
1 1 1 -14 58  9  o 84.407  3.2255  3870.49    294.878  3656.83    357.206  4327.60    522.476  81.973  4.0233  88.830  5.4569  -6.857246      6.779681  
1 1 1 -14 58  10 o 45.420  3.7055  1129.58    180.700  923.536    241.750  1390.45    272.015  40.711  5.6335  50.211  5.0713  -9.499378      7.579877  
1 1 1 -14 58  11 o 107.983 3.0068  6335.05    351.662  6372.34    487.795  6294.71    507.437  108.141 4.1646  107.449 4.3602  0.6924744      6.029565  
1 1 1 -14 58  12 o 48.118  1.9926  1255.79    103.847  1079.93    267.111  1287.10    112.714  44.023  5.7385  48.709  2.1365  -4.686039      6.123268  
1 1 1 -14 58  13 o 99.985  3.0407  5434.93    329.291  5291.06    462.727  5582.54    468.705  98.455  4.3393  101.141 4.2786  -2.686615      6.093922  
1 1 1 -14 58  14 o 62.973  3.4677  2166.22    235.606  2052.43    319.876  2301.15    348.333  61.031  4.8798  64.615  5.0166  -3.583733      6.998503  
1 1 1 -14 58  15 o 57.894  3.6964  1835.14    230.571  1774.42    313.106  1907.07    340.807  56.630  5.1614  58.662  5.4254  -2.031460      7.488339  
1 1 1 -14 58  16 o 32.617  1.7862  578.906    62.863   556.075    269.458  580.220    64.647   30.915  7.9896  32.650  1.8355  -1.734627      8.197738  
1 1 1 -14 58  17 o 76.216  3.5191  3170.86    290.504  3051.00    415.841  3285.12    406.005  74.242  5.2043  77.148  4.8841  -2.906120      7.137125  
1 1 1 -14 58  18 o 79.089  3.2927  3414.29    282.062  3177.65    403.861  3639.63    394.110  75.773  4.9481  81.264  4.4951  -5.490608      6.685052  
1 1 1 -14 58  19 o 48.934  4.2238  1325.03    221.673  1289.59    313.624  1360.40    313.362  47.686  6.2203  49.063  6.0234  -1.376785      8.658701  
1 1 1 -14 58  20 o 48.112  4.5463  1287.94    234.099  1481.16    335.829  1105.31    326.500  51.073  6.1979  43.678  7.1490  7.395332       9.461632  
1 1 1 -14 58  21 o 42.991  2.0596  1005.29    95.902   686.471    360.094  1029.62    99.495   33.537  9.4879  43.503  2.1116  -9.966141      9.720006  
1 1 1 -14 58  22 o 25.474  1.9746  355.253    54.056   854.934    384.179  345.161    54.599   36.981  9.5314  25.100  2.0256  11.88094       9.744214  
1 1 1 -14 58  23 o 28.708  7.7749  508.088    247.719  449.916    375.629  552.860    329.534  27.508  9.8906  29.610  9.2555  -2.101933      13.54573  
1 1 1 -14 58  24 o 21.898  8.1511  257.257    258.568  182.577    381.393  320.776    351.744  22.532  9.3976  24.405  9.4093  -1.872236      13.29846  
1 1 1 -14 58  25 o 14.625  6.7689  -151.6255  253.492  145.507    450.879  -288.9533  306.524  22.935  9.9116  14.857  7.0524  8.077768       12.16458  
1 1 1 -14 58  26 o 29.715  9.8650  612.347    370.672  218.244    496.951  1106.58    556.510  24.056  10.401  37.594  12.062  -13.53759      15.92711  
1 1 1 -14 58  27 o 24.041  9.5054  342.157    366.499  119.799    493.251  616.234    547.618  22.539  10.031  29.037  11.575  -6.497841      15.31697  
1 1 1 -14 58  28 o 20.187  8.8241  100.623    365.917  416.227    493.324  -285.3866  545.581  25.810  10.720  19.717  9.3739  6.093052       14.24024  
1 1 1 -14 59  1  o 296.035 5.0176  47731.44   1608.83  42740.80   2273.94  52733.45   2276.52  279.143 7.5211  310.436 6.7706  -31.29279      10.11971  
1 1 1 -14 59  2  o 196.089 3.8584  20893.69   819.469  19809.72   1157.89  21981.49   1159.93  190.576 5.6095  200.820 5.3328  -10.24373      7.739853  
1 1 1 -14 59  3  o 185.922 3.7307  18780.22   751.256  19192.47   1061.81  18367.00   1063.06  187.663 5.2240  183.555 5.3471  4.107513       7.475403  
1 1 1 -14 59  4  o 245.869 4.8340  32920.14   1287.29  31979.20   1960.70  33633.04   1706.64  241.390 7.4993  248.017 6.3532  -6.627258      9.828671  
1 1 1 -14 59  5  o 192.378 3.7588  20112.80   783.199  20875.48   1106.77  19347.81   1108.45  195.673 5.2222  188.325 5.4343  7.348221       7.536768  
1 1 1 -14 59  6  o 124.417 2.9766  8402.37    401.114  8841.40    572.284  7978.42    562.368  127.488 4.1445  121.087 4.2880  6.400558       5.963528  
1 1 1 -14 59  7  o 64.908  2.8384  2286.74    199.546  2345.66    293.610  2236.17    272.025  65.524  4.1587  64.000  3.9435  1.524853       5.731110  
1 1 1 -14 59  8  o 143.277 3.8079  11165.37   590.921  10252.95   1022.70  11622.66   724.012  136.445 6.9432  146.041 4.5772  -9.596069      8.316160  
1 1 1 -14 59  9  o 98.599  2.7509  5277.56    293.777  5078.09    425.714  5458.91    405.921  96.578  4.0697  100.175 3.7412  -3.596878      5.528055  
1 1 1 -14 59  10 o 165.146 3.5050  14832.66   626.943  14682.88   881.885  14985.71   891.456  163.961 4.9659  165.642 4.9689  -1.681351      7.024979  
1 1 1 -14 59  11 o 186.360 3.7594  18906.53   758.826  18590.67   1069.36  19226.89   1076.96  184.304 5.3570  187.450 5.3045  -3.146317      7.538885  
1 1 1 -14 59  12 o 70.757  3.1234  2721.93    239.369  2707.44    329.378  2738.14    348.465  70.308  4.3466  70.665  4.5775  -0.3563004     6.312407  
1 1 1 -14 59  13 f 97.463  2.9764  5164.50    314.203  4672.35    437.220  5690.10    451.840  92.495  4.3643  102.126 4.0849  -9.631020      5.977687  
1 1 1 -14 59  14 o 33.875  5.3893  645.163    191.109  519.524    253.914  809.341    290.256  29.978  7.7598  37.546  7.4006  -7.568233      10.72307  
1 1 1 -14 59  15 o 131.606 3.2361  9432.26    461.286  8903.35    651.897  9962.66    652.818  127.464 4.7220  134.917 4.4674  -7.452934      6.500367  
1 1 1 -14 59  16 o 65.265  2.6259  2316.24    185.622  2320.24    348.279  2314.65    219.377  64.789  5.0019  65.189  3.1070  -0.4003448     5.888346  
1 1 1 -14 59  17 o 54.317  3.9316  1622.48    229.738  1729.97    328.364  1519.41    321.541  55.699  5.5155  52.086  5.7981  3.613361       8.002390  
1 1 1 -14 59  18 o 52.128  4.3268  1502.16    242.085  1544.15    345.610  1461.71    339.200  52.304  6.2228  50.848  6.2934  1.456211       8.850441  
1 1 1 -14 59  19 o 30.154  6.3278  526.808    200.075  538.637    283.019  514.990    282.878  30.163  8.3688  29.535  8.4281  0.6279335      11.87724  
1 1 1 -14 59  20 o 58.326  3.8470  1875.46    241.663  1772.22    344.865  1975.07    338.744  56.079  5.7596  59.394  5.3222  -3.314583      7.842136  
1 1 1 -14 59  21 o 8.2221  2.6741  35.613     27.289   113.666    331.694  35.081     27.382   21.265  8.8075  8.1836  2.6795  13.08107       9.206058  
1 1 1 -14 59  22 o 78.205  2.9907  3353.06    253.329  3510.17    465.583  3286.99    301.937  78.717  5.4953  77.216  3.6103  1.501228       6.575121  
1 1 1 -14 59  23 o 22.933  7.9628  302.146    241.825  91.608     370.862  457.880    318.960  21.210  9.0750  27.228  9.1529  -6.017721      12.88916  
1 1 1 -14 59  24 o 47.613  5.4491  1314.90    275.946  1562.69    418.651  1124.54    366.937  50.208  7.9644  42.209  8.3221  7.998810       11.51906  
1 1 1 -14 59  25 o 56.515  6.7388  1925.67    404.359  1834.63    543.421  2038.60    605.266  52.197  9.9758  54.334  10.666  -2.136780      14.60393  
1 1 1 -14 59  26 o 71.694  5.8311  3042.23    448.874  3047.16    609.812  3036.39    663.144  68.836  8.3501  67.470  9.3237  1.365601       12.51628  
1 1 1 -14 59  27 o 44.774  8.5007  1332.85    397.161  1548.09    536.899  1072.72    590.223  45.428  11.024  35.612  12.436  9.815392       16.61852  
1 1 1 -14 59  28 o 27.335  9.8756  528.353    375.033  706.532    508.673  316.150    555.118  30.116  11.387  25.074  10.917  5.041319       15.77437  
1 1 1 -14 60  1  o 90.109  2.4449  4403.77    238.614  4014.99    340.206  4780.21    334.762  85.962  3.6540  93.825  3.2942  -7.863716      4.919676  
1 1 1 -14 60  2  o 173.003 3.4359  16256.17   643.828  16449.39   910.177  16062.67   910.845  173.779 4.8357  171.711 4.8975  2.067673       6.882552  
1 1 1 -14 60  3  o 176.969 3.5641  17014.48   683.142  17772.19   928.301  16119.40   1008.95  180.644 4.7446  171.892 5.4193  8.752289       7.202756  
1 1 1 -14 60  4  o 8.7005  2.0285  42.695     18.764   -156.7687  147.537  45.974     18.917   10.664  5.0104  9.0331  1.9875  1.631252       5.390224  
1 1 1 -14 60  5  o 50.538  2.1330  1384.86    116.755  1513.35    250.538  1349.21    131.960  52.538  4.4445  49.874  2.4429  2.664444       5.071590  
1 1 1 -14 60  6  o 112.021 2.9034  6812.07    352.266  6993.68    505.273  6640.31    491.376  113.368 4.1149  110.468 4.1068  2.900131       5.813674  
1 1 1 -14 60  7  o 53.295  3.1183  1547.95    179.219  1618.21    260.206  1484.53    247.202  54.322  4.4620  52.019  4.4297  2.303047       6.287406  
1 1 1 -14 60  8  o 21.017  7.2273  222.314    198.980  552.979    342.439  53.757     244.491  31.312  9.3685  18.300  7.5691  13.01244       12.04411  
1 1 1 -14 60  9  o 59.786  2.2870  1939.13    148.096  1694.28    279.750  2034.47    174.562  55.532  4.6951  61.220  2.6326  -5.687969      5.382783  
1 1 1 -14 60  10 o 70.046  2.9059  2665.22    220.466  2413.85    296.066  2978.09    330.308  66.432  4.1352  73.813  4.1484  -7.380775      5.857435  
1 1 1 -14 60  11 o 99.514  2.8048  5379.32    302.312  4941.07    441.246  5767.03    415.024  95.182  4.2801  102.919 3.7231  -7.736374      5.672828  
1 1 1 -14 60  12 o 149.932 3.2942  12229.83   534.945  11848.81   753.167  12617.73   759.931  147.223 4.7233  151.957 4.6173  -4.733429      6.605189  
1 1 1 -14 60  13 o 60.337  3.4519  1988.96    224.650  2092.36    298.581  1854.07    341.041  61.707  4.4984  57.851  5.5094  3.855999       7.112662  
1 1 1 -14 60  14 o 103.952 3.1756  5881.89    357.542  5711.46    503.353  6055.46    507.959  102.163 4.5489  105.217 4.4573  -3.053314      6.368699  
1 1 1 -14 60  15 o 67.500  3.4734  2490.41    253.081  2002.76    363.370  2949.82    352.689  60.031  5.6553  73.268  4.4657  -13.23691      7.205851  
1 1 1 -14 60  16 o 104.094 3.1051  5903.30    350.081  6130.24    519.383  5714.35    473.915  105.718 4.5360  102.139 4.2839  3.578979       6.239143  
1 1 1 -14 60  17 o 35.369  5.5857  708.009    206.871  901.853    298.839  529.641    286.661  39.524  7.2479  30.074  8.4504  9.450283       11.13290  
1 1 1 -14 60  18 o 73.655  3.4304  2964.93    273.665  2713.13    393.757  3200.20    380.621  69.851  5.2428  76.100  4.6400  -6.249657      7.001200  
1 1 1 -14 60  19 o 38.377  5.3813  832.424    217.530  746.515    301.549  925.637    314.103  35.495  8.0313  39.779  7.5668  -4.284351      11.03443  
1 1 1 -14 60  20 o 24.481  7.1294  348.391    200.538  400.078    285.954  298.369    281.311  26.475  8.6587  23.971  8.5655  2.503695       12.17953  
1 1 1 -14 60  21 o 86.634  3.0616  4108.75    287.279  4176.02    478.512  4070.84    359.220  86.362  5.1388  85.962  3.8582  0.4004211      6.425971  
1 1 1 -14 60  22 o 28.125  1.4291  430.794    43.391   246.095    359.617  433.522    43.710   23.701  9.4016  28.214  1.4351  -4.513073      9.510468  
1 1 1 -14 60  23 o 33.558  7.3554  692.192    259.969  792.756    381.553  605.055    355.166  34.643  9.7545  30.512  9.6199  4.131723       13.70006  
1 1 1 -14 60  24 o 20.613  8.0919  196.727    263.826  310.080    452.739  138.443    324.643  25.356  10.373  20.734  8.6608  4.622498       13.51329  
1 1 1 -14 60  25 o 18.357  8.2557  -48.4360   343.619  -165.0174  454.799  106.634    524.528  19.617  9.0746  23.474  10.401  -3.856855      13.80287  
1 1 1 -14 60  26 o 26.887  9.7499  482.605    366.040  483.037    487.418  482.046    554.331  27.310  10.910  27.631  11.410  -0.3209152     15.78667  
1 1 1 -14 60  27 f 48.486  7.9758  1525.07    404.283  1547.00    546.839  1498.63    600.389  45.148  11.229  42.865  12.294  2.282948       16.65036  
1 1 1 -14 61  1  o 49.883  2.7233  1354.25    146.580  1261.14    208.128  1445.88    206.473  47.983  4.0424  51.441  3.7312  -3.457359      5.501146  
1 1 1 -14 61  2  o 87.886  2.7325  4191.32    260.106  4404.50    375.033  3993.74    361.055  90.004  3.8471  85.700  3.8897  4.303329       5.470886  
1 1 1 -14 61  3  o 122.006 3.0896  8082.33    408.279  8142.67    582.632  8024.12    572.295  122.297 4.3986  121.410 4.3521  0.8868561      6.187718  
1 1 1 -14 61  4  o 202.959 3.8256  22399.45   840.955  22973.31   1192.66  21832.03   1185.95  205.136 5.3679  199.943 5.4763  5.193085       7.668427  
1 1 1 -14 61  5  o 221.709 3.9404  26739.95   946.232  28018.66   1339.58  25466.59   1336.78  226.480 5.4609  215.830 5.7184  10.65013       7.907104  
1 1 1 -14 61  6  o 184.586 3.6735  18527.07   734.433  19440.72   1040.37  17619.45   1036.93  188.730 5.0895  179.605 5.3304  9.125427       7.369974  
1 1 1 -14 61  7  o 147.423 3.2079  11808.26   512.218  12370.54   725.055  11248.05   723.718  150.667 4.4431  143.626 4.6523  7.041306       6.433097  
1 1 1 -14 61  8  o 101.263 4.3131  5587.86    473.056  5298.07    667.187  5880.83    670.831  98.059  6.3155  103.412 6.0153  -5.352440      8.721718  
1 1 1 -14 61  9  o 82.795  2.9491  3723.86    264.463  3357.67    358.461  4161.26    391.769  78.379  4.2383  87.393  4.1389  -9.014153      5.923985  
1 1 1 -14 61  10 o 131.270 3.1294  9366.31    444.940  9078.55    622.647  9666.59    636.047  128.995 4.4566  133.117 4.4115  -4.121994      6.270757  
1 1 1 -14 61  11 o 8.8623  2.8898  41.037     31.860   234.008    176.673  34.551     32.391   20.921  6.8042  8.4166  2.9147  12.50392       7.402204  
1 1 1 -14 61  12 o 11.999  5.4679  -98.2857   156.831  -173.0139  211.295  -6.6134    234.027  13.338  6.1754  16.772  7.1935  -3.434340      9.480619  
1 1 1 -14 61  13 o 128.149 3.1679  8936.72    439.692  8793.78    611.806  9089.42    632.340  126.820 4.4541  128.913 4.5288  -2.093369      6.352064  
1 1 1 -14 61  14 o 11.181  5.1998  -135.4125  152.386  -211.4580  195.311  -17.0945   243.621  12.150  5.7260  16.895  7.2936  -4.744619      9.272714  
1 1 1 -14 61  15 o 189.813 3.8611  19681.83   793.789  19961.31   1118.50  19398.23   1126.71  190.355 5.4250  187.580 5.5457  2.775467       7.757961  
1 1 1 -14 61  16 o 31.998  1.8287  557.485    63.113   513.797    271.185  559.987    64.895   29.683  8.1750  32.065  1.8767  -2.382271      8.387665  
1 1 1 -14 61  17 o 73.027  3.4778  2913.49    275.080  2892.38    383.875  2935.77    394.383  72.284  4.9326  72.795  5.0330  -0.5103149     7.047087  
1 1 1 -14 61  18 o 79.195  3.3695  3428.11    289.024  3589.82    416.460  3277.87    401.438  80.527  4.7966  76.921  4.8431  3.606636       6.816393  
1 1 1 -14 61  19 o 44.234  4.7935  1093.22    225.980  1266.82    331.620  942.718    308.770  47.016  6.7019  40.209  7.3612  6.806446       9.954991  
1 1 1 -14 61  20 o 66.584  3.7689  2443.28    270.690  2349.85    378.727  2540.85    387.034  64.684  5.4567  67.322  5.3520  -2.638496      7.643322  
1 1 1 -14 61  21 o 25.674  1.2926  358.614    35.829   359.622    340.008  358.603    36.030   25.834  9.3924  25.673  1.3000  0.1608849      9.481955  
1 1 1 -14 61  22 o 32.003  2.3150  562.295    79.700   1172.76    393.057  536.119    81.391   43.418  8.6620  31.224  2.4257  12.19385       8.995200  
1 1 1 -14 61  23 o 41.625  5.8591  1015.18    256.842  1264.42    393.093  829.510    339.280  44.908  8.3901  35.944  8.7883  8.964371       12.15027  
1 1 1 -14 61  24 o 81.195  4.1791  3710.75    366.273  3851.99    628.182  3638.00    450.840  79.668  7.3633  79.520  5.2643  0.1481018      9.051543  
1 1 1 -14 61  25 o 53.242  6.0163  1683.99    340.854  1353.42    415.959  2359.68    594.687  45.536  8.7519  59.513  9.5488  -13.97691      12.95278  
1 1 1 -14 61  26 o 54.956  7.0785  1872.77    411.540  2017.98    554.652  1694.91    613.850  54.133  9.8217  46.736  12.050  7.397186       15.54532  
1 1 1 -14 61  27 o 44.938  8.5501  1343.66    400.946  1664.47    540.652  951.612    597.672  47.604  10.741  33.667  12.420  13.93736       16.42042  
1 1 1 -14 62  1  o 45.826  3.0578  1145.41    150.901  1052.44    205.095  1255.14    222.818  43.746  4.3877  47.817  4.3499  -4.070797      6.178463  
1 1 1 -14 62  2  o 16.983  5.5658  151.193    118.130  120.346    163.008  185.312    171.433  17.196  6.4579  19.349  6.7052  -2.153191      9.309394  
1 1 1 -14 62  3  o 53.632  2.9610  1566.43    171.331  1616.54    239.052  1513.50    245.682  54.350  4.0909  52.541  4.3565  1.808636       5.976149  
1 1 1 -14 62  4  o 115.281 3.0027  7216.56    374.926  6866.55    526.723  7576.04    533.800  112.288 4.3309  117.969 4.1777  -5.681435      6.017498  
1 1 1 -14 62  5  f 132.392 3.1362  9520.89    449.706  9526.02    634.156  9515.70    637.822  132.229 4.4279  132.152 4.4561  0.7667542E-01  6.281989  
1 1 1 -14 62  6  o 160.595 3.3858  14018.54   588.926  14536.32   835.773  13507.89   829.992  163.250 4.7268  157.335 4.8706  5.915436       6.787098  
1 1 1 -14 62  7  o 124.506 2.9806  8420.04    401.941  8623.42    570.627  8219.76    566.260  125.818 4.1874  122.826 4.2565  2.992050       5.970933  
1 1 1 -14 62  8  o 55.216  5.0992  1679.94    301.510  1476.64    424.607  1886.71    428.214  51.094  7.9297  58.144  6.9366  -7.049515      10.53545  
1 1 1 -14 62  9  o 117.834 3.0215  7544.75    385.617  7146.81    539.661  7959.92    551.211  114.477 4.3524  120.841 4.2115  -6.363647      6.056412  
1 1 1 -14 62  10 o 48.178  3.5608  1270.17    184.493  1134.18    246.650  1442.89    277.976  45.248  5.1231  51.110  5.0892  -5.861755      7.221244  
1 1 1 -14 62  11 o 47.688  3.7452  1246.55    191.889  1252.37    262.206  1239.84    281.572  47.543  5.1755  47.208  5.6171  0.3353806      7.637936  
1 1 1 -14 62  12 o 28.797  5.9155  472.573    178.330  352.268    233.917  639.529    275.562  25.148  7.7876  33.253  7.7879  -8.104963      11.01356  
1 1 1 -14 62  13 o 38.137  4.5955  807.106    185.998  782.906    239.654  843.763    294.957  37.202  6.1634  38.351  7.3686  -1.148628      9.606442  
1 1 1 -14 62  14 o 50.633  3.7503  1406.57    204.206  1383.65    277.691  1433.55    301.338  49.917  5.2132  50.729  5.5764  -0.8126640     7.633687  
1 1 1 -14 62  15 o 58.468  3.6606  1873.63    230.647  1919.94    308.471  1814.92    347.347  58.921  4.8775  57.059  5.6965  1.861588       7.499372  
1 1 1 -14 62  16 o 37.344  2.3253  760.920    93.584   1042.58    311.374  732.951    98.120   42.671  6.9785  36.628  2.4881  6.043034       7.408809  
1 1 1 -14 62  17 o 60.640  3.7238  2019.55    243.394  2254.32    349.349  1798.09    339.294  63.703  5.1062  56.699  5.5981  7.003448       7.577039  
1 1 1 -14 62  18 o 40.363  5.3243  917.812    227.080  1058.59    322.050  778.619    320.237  42.770  7.2083  36.205  8.3385  6.565575       11.02230  
1 1 1 -14 62  19 o 53.888  4.1083  1605.80    237.978  1555.53    342.228  1652.87    331.147  52.372  6.1503  54.160  5.7323  -1.787910      8.407446  
1 1 1 -14 62  20 o 54.261  4.3067  1636.13    251.027  1664.62    376.712  1613.36    336.665  53.841  6.5980  53.282  5.9346  0.5592728      8.874274  
1 1 1 -14 62  21 f 85.087  3.6442  3991.93    335.846  3781.92    530.211  4132.65    434.018  81.357  6.0605  85.962  4.6792  -4.605415      7.656647  
1 1 1 -14 62  22 o 77.194  3.6992  3303.93    309.283  3461.75    464.937  3178.66    414.226  77.721  5.5599  74.755  5.1473  2.965538       7.576747  
1 1 1 -14 62  23 o 34.661  7.3593  739.996    267.743  564.270    401.724  880.439    359.137  29.503  10.262  36.842  9.0625  -7.339592      13.69082  
1 1 1 -14 62  24 o 30.705  9.3390  626.806    338.238  480.123    467.351  788.144    490.144  27.903  10.821  33.232  11.345  -5.328606      15.67854  
1 1 1 -14 62  25 f 26.043  9.4980  432.734    348.084  183.296    470.387  734.656    517.512  23.393  10.117  31.618  11.574  -8.224937      15.37191  
1 1 1 -14 62  26 o 50.048  2.5795  1384.72    139.351  1390.81    143.388  1281.14    591.442  50.130  2.6503  39.576  12.404  10.55383       12.68414  
1 1 1 -14 62  27 o 24.972  9.6109  397.506    366.472  655.398    493.047  79.148     547.808  29.568  11.203  22.801  10.323  6.767078       15.23383  
1 1 1 -14 63  1  o 109.153 2.8358  6468.26    335.263  6353.45    482.256  6575.65    466.407  108.031 4.1215  109.932 3.9172  -1.900650      5.686051  
1 1 1 -14 63  2  o 119.983 3.0904  7819.12    401.613  7554.97    567.036  8085.02    568.902  117.754 4.4460  121.837 4.3111  -4.082741      6.192921  
1 1 1 -14 63  3  o 90.280  2.5563  4422.92    249.957  4494.95    353.153  4350.61    353.833  90.923  3.5861  89.444  3.6524  1.478447       5.118584  
1 1 1 -14 63  4  o 123.936 3.0585  8343.12    410.561  8209.25    576.804  8480.58    584.514  122.753 4.3384  124.768 4.3254  -2.014328      6.126191  
1 1 1 -14 63  5  o 60.533  2.9163  1989.90    191.204  1886.98    269.470  2094.26    271.346  58.701  4.2675  61.887  4.0708  -3.185490      5.897735  
1 1 1 -14 63  6  o 82.395  2.8010  3686.35    249.966  4065.20    361.905  3340.74    345.665  86.422  3.8664  78.215  4.0946  8.207146       5.631546  
1 1 1 -14 63  7  o 70.844  2.4772  2723.80    190.075  2646.44    237.991  2860.08    315.855  69.784  3.1487  72.354  4.0467  -2.569389      5.127404  
1 1 1 -14 63  8  o 83.661  3.5498  3807.90    321.663  4127.30    558.449  3649.33    393.493  86.532  5.9955  81.672  4.4652  4.860130       7.475555  
1 1 1 -14 63  9  o 27.332  5.3100  422.664    151.529  434.194    204.411  408.599    225.766  27.530  6.8758  26.788  7.4896  0.7424107      10.16710  
1 1 1 -14 63  10 o 12.304  5.2987  -10.7416   127.942  -151.9210  183.430  123.018    178.545  12.424  5.7529  17.699  6.7330  -5.274540      8.856032  
1 1 1 -14 63  11 o 26.626  5.7983  404.522    162.478  356.995    208.039  478.845    260.158  25.091  7.2484  28.876  8.0279  -3.784637      10.81606  
1 1 1 -14 63  12 o 15.433  6.3044  50.153     166.938  -219.6862  221.106  407.914    254.592  13.152  6.1647  26.863  8.0872  -13.71084      10.16888  
1 1 1 -14 63  13 f 82.019  3.0775  3661.20    273.386  3589.67    378.794  3738.96    394.964  80.904  4.3386  82.551  4.4336  -1.647018      6.203278  
1 1 1 -14 63  14 o 37.125  4.8782  769.097    191.406  849.513    249.370  653.784    298.615  38.740  6.1486  33.447  8.2857  5.292332       10.31786  
1 1 1 -14 63  15 o 46.520  4.0880  1193.35    203.886  1163.25    276.994  1228.94    301.203  45.531  5.7448  46.717  6.0981  -1.186855      8.377911  
1 1 1 -14 63  16 o 58.336  2.6274  1852.02    166.012  2157.38    354.702  1766.37    187.858  62.283  5.3087  56.841  3.0627  5.442436       6.128806  
1 1 1 -14 63  17 o 28.792  6.9187  483.686    213.078  210.826    328.399  682.079    280.024  23.166  9.0468  34.057  7.7639  -10.89095      11.92151  
1 1 1 -14 63  18 o 35.922  5.5849  733.159    210.238  872.244    302.061  602.473    292.798  38.625  7.4907  31.821  8.3796  6.803278       11.23962  
1 1 1 -14 63  19 o 63.484  3.7658  2220.07    257.778  2205.02    370.111  2234.26    359.238  62.673  5.5082  63.171  5.2994  -0.4985580     7.643548  
1 1 1 -14 63  20 o 33.467  6.3423  653.104    221.486  622.424    307.065  686.377    319.777  31.972  8.6553  33.531  8.7223  -1.559126      12.28788  
1 1 1 -14 63  21 o 59.142  4.1248  1950.66    262.570  2029.25    398.816  1890.52    348.843  59.213  6.3159  57.489  5.6766  1.724823       8.492021  
1 1 1 -14 63  22 o 51.660  4.6320  1512.04    256.420  1368.13    398.762  1613.50    334.825  47.081  8.1127  52.630  5.9799  -5.548935      10.07839  
1 1 1 -14 63  23 o 17.505  7.4968  42.294     253.525  -255.9551  429.242  202.079    314.181  18.519  8.6510  21.683  8.7245  -3.163437      12.28641  
1 1 1 -14 63  24 o 38.539  8.5803  961.552    348.953  573.128    481.124  1392.66    506.869  29.381  11.082  44.749  10.618  -15.36780      15.34775  
1 1 1 -14 63  25 o 24.173  9.3015  342.291    343.198  112.182    461.028  628.307    513.991  22.355  9.8347  29.798  11.403  -7.442917      15.05806  
1 1 1 -14 63  26 o 28.105  9.7885  550.703    365.564  439.743    484.996  696.674    556.274  26.457  10.770  30.298  11.790  -3.841549      15.96872  
1 1 1 -14 64  1  o 85.769  2.8164  3994.15    261.634  3787.94    362.585  4218.16    377.905  83.414  4.0133  88.029  3.9636  -4.615158      5.640604  
1 1 1 -14 64  2  o 99.712  2.7371  5397.61    295.600  5171.40    395.615  5683.52    444.773  97.496  3.7464  102.174 4.0191  -4.678223      5.494424  
1 1 1 -14 64  3  o 151.441 3.2683  12464.02   536.093  12179.70   749.957  12761.12   766.616  149.437 4.6335  152.964 4.6272  -3.526733      6.548286  
1 1 1 -14 64  4  o 165.771 3.5477  14944.79   636.986  15108.62   897.931  14778.81   903.765  166.336 4.9841  164.486 5.0729  1.849991       7.111655  
1 1 1 -14 64  5  o 220.495 4.2191  26490.26   1007.61  28798.14   1348.69  23574.82   1515.85  229.444 5.4271  207.024 6.7603  22.41934       8.669188  
1 1 1 -14 64  6  o 130.831 3.1205  9301.39    442.178  9453.71    625.758  9149.48    624.911  131.678 4.3876  129.528 4.4543  2.149521       6.252356  
1 1 1 -14 64  7  o 75.521  2.9313  3098.45    239.774  3259.40    344.849  2947.82    333.612  77.228  4.1378  73.421  4.2128  3.807625       5.904994  
1 1 1 -14 64  8  o 33.653  7.3482  649.546    260.334  568.797    366.152  732.099    370.218  31.733  9.7295  35.528  9.4547  -3.794754      13.56667  
1 1 1 -14 64  9  o 143.671 3.2530  11227.30   506.207  10778.20   710.670  11689.83   721.215  140.443 4.6720  146.295 4.5516  -5.852127      6.522603  
1 1 1 -14 64  10 o 20.000  1.4765  218.013    31.757   271.639    198.917  216.610    32.170   22.399  7.2140  19.933  1.5011  2.465450       7.368507  
1 1 1 -14 64  11 o 95.460  2.9624  4955.40    306.288  4790.47    422.879  5137.40    444.223  93.669  4.1682  96.990  4.2287  -3.321045      5.937643  
1 1 1 -14 64  12 o 42.174  4.2201  981.360    190.183  1175.87    258.870  753.260    280.330  45.982  5.2946  36.178  7.4036  9.804111       9.101974  
1 1 1 -14 64  13 f 47.661  3.8588  1248.20    197.488  1045.55    276.412  1459.53    282.260  43.101  6.0908  51.293  5.1502  -8.192402      7.976377  
1 1 1 -14 64  14 f 74.496  3.3277  3025.61    268.500  3047.04    374.828  3003.02    384.800  74.377  4.6767  73.791  4.8415  0.5855408      6.731385  
1 1 1 -14 64  15 o 93.708  3.1911  4788.20    323.886  4700.11    469.180  4868.40    447.664  92.358  4.7058  94.204  4.3875  -1.845558      6.433852  
1 1 1 -14 64  16 o 47.663  2.3119  1235.11    119.349  1386.80    288.778  1203.86    131.066  49.787  5.4440  46.962  2.5867  2.824341       6.027260  
1 1 1 -14 64  17 o 44.939  4.5331  1122.83    217.627  1071.22    291.744  1187.57    326.768  43.330  6.4098  45.516  6.8399  -2.185272      9.373916  
1 1 1 -14 64  18 o 40.723  5.2795  934.302    227.381  788.765    341.689  1049.98    304.625  36.268  8.7901  42.698  6.8162  -6.430367      11.12327  
1 1 1 -14 64  19 o 114.449 3.2672  7171.88    404.999  7025.25    580.138  7311.28    565.648  112.586 4.7575  114.971 4.5424  -2.385345      6.577763  
1 1 1 -14 64  20 o 68.922  3.6755  2623.71    273.386  2367.45    391.621  2867.31    381.818  64.601  5.6539  71.498  4.9612  -6.896469      7.522004  
1 1 1 -14 64  21 o 30.881  6.9491  575.312    226.812  468.638    350.067  652.492    297.764  27.804  9.5847  32.319  8.4214  -4.515028      12.75881  
1 1 1 -14 64  22 o 31.480  7.3626  610.091    246.556  677.060    385.908  563.900    320.498  32.053  10.015  29.682  9.1031  2.371658       13.53418  
1 1 1 -14 64  23 o 36.483  7.3677  821.637    281.112  1475.13    467.469  451.454    351.836  47.568  9.4065  26.923  9.5836  20.64538       13.42865  
1 1 1 -14 64  24 o 61.988  5.9652  2267.33    395.551  2251.14    547.634  2284.98    571.944  59.058  8.8326  59.075  9.2416  -0.1709747E-01 12.78366  
1 1 1 -14 64  25 o 17.923  8.0444  -33.8188   324.498  31.614     448.940  -105.4050  469.574  21.212  9.4955  20.225  9.3076  0.9866333      13.29644  
1 1 1 -14 64  26 o 49.379  7.4911  1541.69    388.068  1588.31    528.979  1487.37    571.054  46.787  10.675  43.789  11.782  2.997864       15.89845  
1 1 1 -14 65  1  o 116.068 2.9287  7317.12    368.182  6580.56    510.839  8113.34    531.130  109.886 4.2921  122.062 4.0174  -12.17579      5.878953  
1 1 1 -14 65  2  o 200.227 3.9716  21828.69   861.298  20981.29   1216.45  22680.59   1219.67  195.730 5.7381  203.582 5.5314  -7.852386      7.970073  
1 1 1 -14 65  3  o 174.792 3.5807  16618.80   677.886  16782.11   956.513  16454.02   960.854  175.270 5.0386  173.526 5.1124  1.743942       7.178033  
1 1 1 -14 65  4  o 88.362  2.9936  4241.66    286.500  4183.54    400.040  4302.85    410.507  87.620  4.2153  88.854  4.2655  -1.234077      5.996954  
1 1 1 -14 65  5  o 57.075  3.4205  1777.84    210.473  1691.53    299.207  1862.38    296.126  55.414  5.0403  58.221  4.7371  -2.806812      6.916997  
1 1 1 -14 65  6  o 118.491 3.0405  7629.65    390.217  7763.26    557.097  7500.97    546.749  119.317 4.3108  117.285 4.3040  2.031685       6.091599  
1 1 1 -14 65  7  o 105.202 2.9682  6014.23    338.217  6085.87    478.745  5942.84    477.878  105.649 4.1838  104.393 4.2264  1.256073       5.947000  
1 1 1 -14 65  8  o 88.912  3.4598  4302.30    333.181  4537.12    402.484  3791.03    593.900  91.220  4.0737  82.653  6.6915  8.566849       7.834006  
1 1 1 -14 65  9  o 84.505  2.9370  3881.93    268.818  3584.92    374.038  4199.23    386.605  80.925  4.2826  87.739  4.0682  -6.813202      5.906893  
1 1 1 -14 65  10 o 62.792  3.1357  2144.94    213.259  1967.18    292.956  2345.32    311.043  59.815  4.5562  65.369  4.4192  -5.553425      6.347253  
1 1 1 -14 65  11 o 77.186  3.0204  3240.90    252.512  3265.43    349.336  3214.05    365.419  77.207  4.1932  76.546  4.4265  0.6614227      6.097245  
1 1 1 -14 65  12 o 92.815  2.9936  4687.42    300.939  4717.62    429.666  4658.34    421.632  92.887  4.2708  92.313  4.2170  0.5744553      6.001864  
1 1 1 -14 65  13 o 51.252  3.7956  1442.09    209.198  1197.17    286.957  1719.91    305.627  46.212  5.8653  55.708  5.1227  -9.496067      7.787381  
1 1 1 -14 65  14 o 54.156  3.5668  1607.98    208.045  1490.44    286.975  1738.18    302.042  51.772  5.1875  55.986  5.0348  -4.214382      7.229113  
1 1 1 -14 65  15 o 24.831  6.9615  355.248    194.773  325.590    269.308  387.775    282.033  24.677  8.4098  26.381  8.5977  -1.704037      12.02684  
1 1 1 -14 65  16 o 50.432  3.9794  1402.58    215.600  1215.66    295.402  1615.64    315.386  46.378  6.0229  53.735  5.4964  -7.356819      8.153882  
1 1 1 -14 65  17 o 71.477  3.3880  2793.53    262.290  2710.37    369.313  2878.17    372.577  69.877  4.9109  72.055  4.8015  -2.178047      6.868106  
1 1 1 -14 65  18 o 46.799  4.3989  1217.48    220.355  1060.82    306.171  1385.84    317.391  42.878  6.8211  49.418  6.0566  -6.539974      9.121958  
1 1 1 -14 65  19 o 18.038  7.1274  115.900    205.940  94.163     284.388  139.868    298.621  19.748  8.1654  20.927  8.4757  -1.178902      11.76905  
1 1 1 -14 65  20 o 42.828  5.0177  1040.35    228.344  898.880    326.688  1175.50    319.294  38.438  8.1024  44.770  6.7984  -6.332123      10.57667  
1 1 1 -14 65  21 o 17.266  7.1633  74.352     219.936  113.737    356.735  50.202     279.342  21.292  8.9969  18.482  7.8910  2.809851       11.96716  
1 1 1 -14 65  22 o 37.876  6.0818  847.095    241.057  805.711    374.343  876.413    315.078  34.993  9.5914  37.481  8.0046  -2.488113      12.49272  
1 1 1 -14 65  23 o 27.918  9.3119  502.305    330.133  470.316    451.930  538.906    483.415  27.772  10.677  29.065  11.074  -1.292673      15.38250  
1 1 1 -14 65  24 o 44.489  7.7873  1246.09    361.570  1467.36    496.934  997.180    527.071  46.127  10.216  36.383  11.745  9.744106       15.56666  
1 1 1 -14 65  25 o 30.246  9.4767  633.837    345.248  929.156    478.767  313.891    498.329  35.082  11.181  25.103  10.622  9.979397       15.42174  
1 1 1 -14 65  26 o 39.606  8.8950  1059.54    372.242  1191.52    507.493  905.837    547.659  39.496  11.295  33.655  11.959  5.840076       16.44995  
1 1 1 -14 66  1  o 124.612 2.9840  8436.21    402.747  8267.87    564.548  8610.67    574.731  123.164 4.2320  125.693 4.2217  -2.529350      5.977661  
1 1 1 -14 66  2  o 113.368 2.9668  6982.21    364.290  6707.94    513.419  7260.28    516.969  110.931 4.2732  115.432 4.1349  -4.500679      5.946232  
1 1 1 -14 66  3  o 187.953 4.0130  19243.01   816.938  18730.99   1099.09  19875.11   1221.18  184.968 5.4861  190.363 5.9228  -5.394852      8.073236  
1 1 1 -14 66  4  o 76.068  3.0153  3144.15    248.432  3121.43    349.549  3167.35    353.151  75.543  4.2898  76.096  4.3024  -0.5533295     6.075594  
1 1 1 -14 66  5  o 101.313 2.9777  5577.48    326.747  5515.40    461.088  5640.12    463.098  100.575 4.2327  101.711 4.2037  -1.135513      5.965525  
1 1 1 -14 66  6  o 71.615  3.0893  2787.91    239.627  2529.40    347.224  3023.00    331.116  67.878  4.7529  74.351  4.1279  -6.473053      6.295216  
1 1 1 -14 66  7  o 32.562  1.8690  576.907    65.641   918.603    227.934  546.007    68.545   40.617  5.3082  31.663  2.0091  8.954220       5.675704  
1 1 1 -14 66  8  o 94.449  3.3588  4854.76    343.597  4860.94    410.339  4840.26    628.526  94.410  4.0129  93.550  6.2389  0.8600159      7.418022  
1 1 1 -14 66  9  o 62.883  2.4228  2147.17    165.012  2082.58    303.113  2174.37    196.717  61.554  4.5793  63.246  2.8717  -1.691856      5.405231  
1 1 1 -14 66  10 o 14.388  5.8929  40.882     146.324  14.149     194.791  75.503     221.673  15.709  6.6436  17.913  7.2851  -2.203596      9.859560  
1 1 1 -14 66  11 o 22.948  5.9477  301.107    149.045  188.644    190.211  479.996    239.895  19.774  7.0457  28.829  7.5817  -9.054296      10.35011  
1 1 1 -14 66  12 o 75.433  3.0586  3097.64    249.896  3099.28    358.381  3096.08    348.634  75.114  4.4246  75.104  4.3038  0.1024628E-01  6.172513  
1 1 1 -14 66  13 o 94.027  3.0341  4814.73    308.996  4770.73    435.872  4859.17    438.110  93.332  4.3118  94.197  4.2941  -0.8654022     6.085328  
1 1 1 -14 66  14 o 135.274 3.2688  9980.73    478.931  9973.29    679.597  9988.08    675.049  134.733 4.6570  134.847 4.6219  -0.1143799     6.561246  
1 1 1 -14 66  15 o 80.701  3.1985  3553.29    279.573  3689.15    402.267  3426.35    388.827  81.797  4.5586  78.816  4.5745  2.980972       6.458114  
1 1 1 -14 66  16 o 45.251  4.3788  1135.96    211.924  1080.90    283.961  1205.18    318.400  43.619  6.1836  45.965  6.5835  -2.345654      9.032146  
1 1 1 -14 66  17 o 17.695  6.8067  123.756    183.740  384.374    248.369  -191.3024  273.080  25.870  8.0268  15.333  7.0714  10.53661       10.69741  
1 1 1 -14 66  18 o 39.337  5.1259  873.112    213.206  601.555    299.122  1153.55    303.974  31.643  8.5326  44.836  6.4448  -13.19253      10.69305  
1 1 1 -14 66  19 o 54.201  4.0952  1631.61    238.635  1791.02    336.147  1469.65    338.832  56.215  5.5952  50.559  6.3260  5.656456       8.445349  
1 1 1 -14 66  20 o 15.297  6.6892  -19.3167   210.474  184.794    321.218  -172.8784  278.617  21.901  8.8184  15.468  7.1369  6.432974       11.34454  
1 1 1 -14 66  21 o 40.797  5.5661  965.211    239.531  1291.26    370.226  730.466    314.139  46.032  7.6974  33.971  8.5455  12.06140       11.50112  
1 1 1 -14 66  22 o 20.765  7.9800  209.605    252.402  359.559    432.477  132.145    310.830  26.050  10.317  20.443  8.5015  5.606668       13.36880  
1 1 1 -14 66  23 o 33.384  9.5979  749.710    365.551  859.783    467.726  576.948    585.967  34.786  11.047  29.967  11.965  4.818941       16.28504  
1 1 1 -14 66  24 o 32.421  9.8003  727.855    373.320  472.307    477.655  1128.99    598.442  27.450  10.852  37.752  12.535  -10.30208      16.57973  
1 1 1 -14 66  25 o 24.357  9.2678  361.369    338.332  141.365    469.093  599.895    488.440  22.647  9.9428  29.076  11.118  -6.428986      14.91569  
1 1 1 -14 67  1  o 115.759 2.8997  7280.23    363.560  7221.12    508.488  7342.04    520.009  115.109 4.0785  116.058 4.1368  -0.9492188     5.809261  
1 1 1 -14 67  2  o 101.174 2.9543  5561.93    323.741  5602.96    455.040  5519.87    460.690  101.384 4.1439  100.616 4.2274  0.7678757      5.919687  
1 1 1 -14 67  3  o 76.875  2.9625  3211.24    246.663  3236.67    344.793  3184.58    353.022  76.944  4.1527  76.296  4.2894  0.6476212      5.970220  
1 1 1 -14 67  4  o 106.718 3.0322  6189.89    350.486  6505.28    491.409  5863.34    500.029  109.231 4.1536  103.649 4.4541  5.581688       6.090275  
1 1 1 -14 67  5  o 106.622 3.0400  6179.53    351.069  5884.15    490.104  6490.80    503.123  103.839 4.3577  109.079 4.2586  -5.240227      6.093026  
1 1 1 -14 67  6  o 23.686  6.1482  320.076    159.107  166.655    224.513  474.864    225.512  20.083  7.5716  28.745  7.2456  -8.661989      10.47985  
1 1 1 -14 67  7  o 129.956 3.6493  9199.29    513.665  10002.65   901.725  8813.38    624.981  134.786 6.1767  126.999 4.5436  7.787094       7.667868  
1 1 1 -14 67  8  o 32.851  4.8644  603.061    167.850  483.793    230.427  737.885    244.994  28.986  7.3339  36.043  6.5155  -7.057402      9.810135  
1 1 1 -14 67  9  o 116.685 3.0327  7405.66    383.282  7264.91    542.998  7545.43    541.093  115.306 4.3479  117.535 4.2505  -2.228226      6.080312  
1 1 1 -14 67  10 o 84.801  3.0363  3912.51    278.881  3762.89    388.967  4070.78    400.061  82.853  4.3497  86.303  4.2798  -3.450882      6.102198  
1 1 1 -14 67  11 o 124.898 3.1275  8492.89    423.086  8377.16    600.658  8606.85    596.037  123.700 4.4832  125.413 4.3880  -1.712852      6.273214  
1 1 1 -14 67  12 o 152.049 3.3661  12603.35   554.348  12352.29   780.950  12858.33   787.018  150.014 4.8064  153.081 4.7467  -3.067245      6.755221  
1 1 1 -14 67  13 o 53.034  3.5690  1542.39    203.811  1302.60    293.585  1765.46    283.164  48.219  5.7338  56.517  4.6676  -8.297710      7.393409  
1 1 1 -14 67  14 o 78.595  3.1318  3368.00    266.596  3540.90    370.815  3183.01    383.554  80.242  4.2821  75.951  4.6854  4.290535       6.347393  
1 1 1 -14 67  15 o 63.457  3.3336  2205.12    228.316  2246.59    325.210  2164.81    320.615  63.694  4.7482  62.511  4.7715  1.183327       6.731429  
1 1 1 -14 67  16 o 124.589 3.2785  8480.51    442.414  8601.99    637.143  8367.40    614.792  124.897 4.7099  123.230 4.6062  1.666733       6.587878  
1 1 1 -14 67  17 o 75.150  3.5295  3093.08    287.289  3088.38    426.283  3097.00    388.866  74.388  5.3261  74.687  4.8330  -0.2993546     7.192028  
1 1 1 -14 67  18 o 31.602  6.3221  581.590    208.837  538.501    279.486  636.063    314.241  29.959  8.3178  32.406  8.7487  -2.446646      12.07169  
1 1 1 -14 67  19 o 57.966  4.0657  1867.81    253.646  1938.48    348.177  1787.88    370.260  58.413  5.5708  55.752  6.2386  2.660564       8.363848  
1 1 1 -14 67  20 o 32.342  7.1272  633.426    242.931  584.584    402.448  661.424    304.706  30.383  10.281  32.461  8.5484  -2.078671      13.37054  
1 1 1 -14 67  21 o 18.859  7.3824  151.571    219.083  332.254    340.296  23.668     286.311  24.690  9.3185  18.200  7.8819  6.489264       12.20482  
1 1 1 -14 67  22 f 38.397  6.5894  885.761    264.174  965.419    472.153  849.459    318.733  37.176  10.972  36.623  8.2353  0.5532227      13.71870  
1 1 1 -14 67  23 o 29.520  9.3575  579.346    335.704  614.300    464.975  541.288    485.185  30.035  10.974  28.859  11.070  1.176573       15.58779  
1 1 1 -14 67  24 o 24.362  9.2494  352.639    336.522  386.855    468.249  316.088    483.968  26.039  10.589  25.208  10.556  0.8305588      14.95168  
1 1 1 -14 67  25 o 35.047  9.2256  842.357    354.984  830.656    493.947  854.856    510.509  33.052  11.386  33.354  11.570  -0.3024864     16.23288  
1 1 1 -14 68  1  o 168.183 3.3081  15386.35   602.601  14901.34   848.813  15879.21   855.643  165.124 4.7460  170.492 4.6336  -5.368149      6.632868  
1 1 1 -14 68  2  o 35.550  1.7194  685.222    66.205   651.542    202.608  689.248    70.051   34.019  5.7005  35.605  1.8226  -1.586151      5.984796  
1 1 1 -14 68  3  o 74.337  2.9727  3003.53    239.344  2825.93    334.411  3190.06    342.710  71.835  4.3181  76.368  4.1590  -4.532532      5.995279  
1 1 1 -14 68  4  o 118.890 3.1282  7686.16    402.815  7750.02    566.123  7620.67    573.277  119.148 4.3869  118.129 4.4806  1.018921       6.270612  
1 1 1 -14 68  5  o 155.985 3.4598  13244.40   584.526  13098.41   821.949  13393.77   831.421  154.724 4.9047  156.458 4.9063  -1.734268      6.937442  
1 1 1 -14 68  6  o 68.253  3.1750  2534.01    234.717  2462.62    327.066  2609.82    337.038  66.982  4.5349  68.964  4.5375  -1.981094      6.415208  
1 1 1 -14 68  7  o 25.883  6.7703  383.811    191.970  360.202    359.168  393.253    227.135  27.034  9.6766  26.297  7.5672  0.7369804      12.28407  
1 1 1 -14 68  8  o 85.307  3.0159  3957.94    278.654  3928.49    394.728  3987.20    393.428  84.692  4.3175  85.441  4.2514  -0.7494888     6.059284  
1 1 1 -14 68  9  o 22.979  6.3424  300.657    163.024  315.694    222.269  283.148    239.832  23.962  7.6161  23.310  7.9363  0.6518078      10.99951  
1 1 1 -14 68  10 o 167.208 3.5570  15243.00   644.192  14723.11   909.133  15767.24   912.928  163.742 5.1262  169.518 4.9722  -5.775925      7.141508  
1 1 1 -14 68  11 f 103.164 3.0638  5794.54    342.344  5838.87    480.049  5748.66    488.351  103.293 4.2909  102.465 4.4004  0.8285980      6.146100  
1 1 1 -14 68  12 o 73.387  3.2085  2935.24    255.034  2987.80    354.334  2878.73    367.363  73.694  4.4603  72.263  4.7195  1.430199       6.493698  
1 1 1 -14 68  13 f 29.045  6.4691  487.121    198.291  680.253    290.215  318.014    271.565  34.076  8.0001  24.547  8.4431  9.528803       11.63129  
1 1 1 -14 68  14 o 55.841  3.6545  1712.17    219.813  1641.17    326.432  1771.08    297.329  54.151  5.6488  56.492  4.9082  -2.340488      7.483210  
1 1 1 -14 68  15 o 57.146  3.6775  1794.57    226.413  2107.02    318.446  1475.17    321.976  61.639  4.8079  51.177  5.9178  10.46156       7.624732  
1 1 1 -14 68  16 o 20.048  7.1874  197.973    198.229  -253.6948  283.800  628.255    276.999  15.015  7.0206  32.591  7.9240  -17.57593      10.58673  
1 1 1 -14 68  17 o 58.553  3.7297  1889.12    235.302  1737.26    335.673  2035.82    329.935  55.519  5.6614  60.357  5.0946  -4.837730      7.616163  
1 1 1 -14 68  18 o 73.163  3.4620  2939.09    274.344  2716.34    388.327  3161.05    387.635  69.570  5.1909  75.272  4.7795  -5.701408      7.056106  
1 1 1 -14 68  19 o 31.714  6.4368  594.937    213.547  883.923    303.153  310.303    300.862  38.306  7.5752  24.099  8.8240  14.20719       11.62951  
1 1 1 -14 68  20 o 21.853  7.5223  270.321    215.583  184.996    326.043  336.603    287.367  21.834  8.8516  24.295  8.6598  -2.460983      12.38314  
1 1 1 -14 68  21 o 37.574  5.9804  830.699    235.227  876.800    355.787  794.899    313.528  36.949  8.9785  35.529  8.2977  1.420197       12.22562  
1 1 1 -14 68  22 o 40.173  7.9165  1008.84    332.208  866.265    448.378  1182.37    494.649  35.311  10.755  41.192  10.913  -5.880344      15.32211  
1 1 1 -14 68  23 o 36.080  9.3342  874.466    367.535  1292.30    468.522  205.975    592.620  43.371  10.153  25.419  11.167  17.95170       15.09281  
1 1 1 -14 68  24 o 24.906  9.5968  372.835    365.735  437.226    469.754  273.729    582.786  26.695  10.694  25.614  11.168  1.080582       15.46215  
1 1 1 -14 68  25 o 19.723  8.6912  47.947     361.425  283.961    463.782  -317.0531  576.755  24.353  10.273  20.398  9.6801  3.955257       14.11493  
1 1 1 -14 69  1  o 158.079 3.4094  13600.35   583.746  12655.98   822.232  14560.08   828.890  152.060 4.9924  163.200 4.6893  -11.14001      6.849339  
1 1 1 -14 69  2  o 229.958 4.3815  28873.77   1091.29  28188.37   1542.34  29560.90   1544.28  226.230 6.2945  231.759 6.1520  -5.529083      8.801589  
1 1 1 -14 69  3  o 26.517  5.4735  399.537    151.990  439.814    205.453  350.849    225.891  27.681  6.8821  25.058  7.6343  2.622534       10.27842  
1 1 1 -14 69  4  o 78.042  2.9769  3311.10    251.631  3292.44    351.636  3330.70    360.241  77.562  4.2014  77.998  4.2806  -0.4350739     5.997946  
1 1 1 -14 69  5  f 26.410  5.7750  397.833    160.588  441.651    228.522  355.084    225.716  27.741  7.4486  25.172  7.6230  2.569202       10.65794  
1 1 1 -14 69  6  o 17.795  6.5438  140.419    165.714  -97.1072   241.665  351.235    227.672  15.596  6.9751  25.068  7.6698  -9.472782      10.36713  
1 1 1 -14 69  7  o 44.440  6.0025  1106.36    281.526  1187.85    400.880  1027.06    395.450  45.403  8.4632  42.017  8.9628  3.386189       12.32712  
1 1 1 -14 69  8  o 29.675  1.2195  477.242    39.195   149.142    237.036  486.465    39.742   19.964  7.7166  29.960  1.2247  -9.996338      7.813161  
1 1 1 -14 69  9  o 45.208  3.8847  1123.60    188.364  1108.10    259.709  1140.81    273.607  44.561  5.4976  45.169  5.7208  -0.6084709     7.934179  
1 1 1 -14 69  10 o 15.326  6.1245  66.944     153.668  -41.1594   217.930  173.843    216.713  15.542  6.8013  19.988  7.4579  -4.446467      10.09345  
1 1 1 -14 69  11 o 58.041  3.5085  1844.45    219.521  1940.44    304.175  1740.11    317.128  59.268  4.7791  55.977  5.2935  3.290676       7.131622  
1 1 1 -14 69  12 o 46.591  2.2628  1179.43    114.188  1253.63    281.763  1164.85    124.905  47.325  5.6060  46.218  2.5045  1.107059       6.140006  
1 1 1 -14 69  13 o 55.815  2.5167  1694.55    152.141  1842.65    350.418  1660.14    168.890  57.418  5.7104  55.141  2.8375  2.277607       6.376506  
1 1 1 -14 69  14 o 114.352 3.2031  7136.87    396.716  7199.07    576.647  7080.98    546.636  114.357 4.6556  113.496 4.4468  0.8609314      6.438083  
1 1 1 -14 69  15 o 32.260  5.8448  595.530    196.701  808.062    293.534  422.304    265.003  37.181  7.5467  27.047  8.2747  10.13412       11.19925  
1 1 1 -14 69  16 o 57.124  3.9777  1800.52    244.568  1656.26    378.809  1903.62    320.259  53.894  6.6292  58.399  5.1148  -4.504807      8.373028  
1 1 1 -14 69  17 o 20.214  7.2804  203.681    203.612  169.082    294.531  235.352    281.794  21.427  8.5056  22.508  8.4834  -1.080528      12.01309  
1 1 1 -14 69  18 o 59.398  4.0320  1958.69    257.860  1923.62    366.501  1993.08    362.863  58.059  5.9107  59.195  5.7314  -1.136551      8.233160  
1 1 1 -14 69  19 o 64.216  3.8645  2293.10    267.535  2877.30    390.511  1776.38    367.263  71.298  5.0904  55.326  6.2376  15.97171       8.051087  
1 1 1 -14 69  20 o 43.512  5.1770  1085.53    239.196  976.942    359.234  1172.01    320.601  39.404  8.6540  44.338  6.9005  -4.933929      11.06833  
1 1 1 -14 69  21 o 36.602  6.7101  806.192    256.212  392.805    438.087  1021.09    315.864  26.684  10.441  40.886  7.4054  -14.20170      12.80067  
1 1 1 -14 69  22 o 32.666  8.9185  699.154    324.400  675.789    439.232  727.195    481.173  31.401  10.740  32.264  11.231  -0.8627300     15.53934  
1 1 1 -14 69  23 o 18.925  8.2029  54.077     310.667  355.911    416.791  -323.2684  466.018  25.279  10.092  18.517  8.7625  6.762451       13.36505  
1 1 1 -14 69  24 o 26.169  9.3433  445.392    334.652  260.666    461.670  649.925    485.790  24.146  10.221  30.104  11.179  -5.958506      15.14717  
1 1 1 -14 70  1  o 59.671  2.1475  1932.23    138.790  2045.66    161.580  1613.05    271.049  61.380  2.4305  54.119  4.6698  7.260754       5.264445  
1 1 1 -14 70  2  o 143.472 3.2861  11200.98   510.639  11071.93   733.886  11322.11   710.964  142.269 4.7626  143.927 4.5607  -1.658035      6.594157  
1 1 1 -14 70  3  o 35.243  4.2801  687.864    160.026  866.693    223.493  499.723    229.238  39.401  5.3775  29.461  7.2364  9.939785       9.015732  
1 1 1 -14 70  4  o 40.467  3.9827  901.669    172.300  849.526    232.974  964.622    255.985  38.929  5.6937  41.492  5.8591  -2.563309      8.169941  
1 1 1 -14 70  5  o 130.637 3.1897  9285.87    451.320  9867.29    635.924  8695.81    640.627  134.387 4.3689  126.073 4.6915  8.314461       6.410778  
1 1 1 -14 70  6  o 199.875 3.9474  21796.54   854.562  22335.40   1207.86  21256.46   1209.21  201.613 5.5313  196.607 5.6785  5.006378       7.927209  
1 1 1 -14 70  7  o 106.148 4.3766  6160.15    503.172  6051.93    711.999  6268.11    711.188  104.497 6.3205  106.400 6.1981  -1.902321      8.852408  
1 1 1 -14 70  8  o 15.642  6.1723  77.578     154.250  270.449    212.214  -138.4559  224.596  22.512  7.4639  14.323  6.5333  8.188874       9.919332  
1 1 1 -14 70  9  o 18.049  6.4631  155.006    160.241  51.895     219.500  272.662    234.471  17.323  7.1689  22.905  7.8468  -5.582253      10.62855  
1 1 1 -14 70  10 o 49.125  3.7646  1325.41    198.780  1198.25    273.022  1468.85    289.980  46.305  5.5546  51.400  5.2840  -5.094635      7.666473  
1 1 1 -14 70  11 o 34.165  1.7776  635.110    65.551   499.966    264.427  643.959    67.663   29.315  8.0720  34.399  1.8226  -5.084473      8.275244  
1 1 1 -14 70  12 o 61.916  2.5117  2084.88    168.435  1818.56    356.032  2161.68    191.183  57.019  5.8478  63.013  2.8012  -5.994549      6.484097  
1 1 1 -14 70  13 o 32.188  2.2993  566.088    79.631   1002.34    270.000  524.525    83.338   42.051  6.1067  30.950  2.5076  11.10045       6.601521  
1 1 1 -14 70  14 o 71.513  3.4723  2795.64    268.947  2764.08    389.358  2824.43    371.937  70.546  5.1309  71.413  4.8371  -0.8677826     7.051522  
1 1 1 -14 70  15 o 43.860  4.9255  1075.43    229.939  1160.62    345.080  1007.40    308.372  44.775  7.3723  41.757  7.0707  3.018127       10.21499  
1 1 1 -14 70  16 o 15.985  6.6349  46.038     188.820  28.517     285.257  59.701     251.904  18.748  7.9887  18.300  7.6354  0.4481335      11.05068  
1 1 1 -14 70  17 o 29.282  6.7058  505.840    208.101  674.529    320.205  382.494    273.810  33.258  8.7655  25.778  8.4748  7.479898       12.19249  
1 1 1 -14 70  18 o 58.209  4.1555  1888.07    260.269  1975.05    394.227  1820.87    346.522  58.492  6.3233  56.443  5.7485  2.049259       8.545709  
1 1 1 -14 70  19 o 27.187  7.3183  450.605    220.267  668.990    317.969  249.119    305.419  32.537  8.8073  22.713  8.7648  9.824230       12.42541  
1 1 1 -14 70  20 o 15.456  6.7653  -15.3352   215.734  157.122    322.333  -155.2717  290.355  21.231  8.7266  15.937  7.3285  5.293936       11.39564  
1 1 1 -14 70  21 o 34.276  7.1773  720.189    257.910  706.269    435.526  727.707    320.065  32.305  10.692  33.630  8.7156  -1.325302      13.79399  
1 1 1 -14 70  22 o 20.368  8.5415  130.191    317.607  194.000    415.579  40.583     492.475  23.059  9.7253  22.467  10.009  0.5921040      13.95582  
1 1 1 -14 70  23 o 41.706  8.1817  1115.52    356.384  1176.14    473.041  1035.94    541.968  40.664  10.624  36.841  11.912  3.822815       15.96114  
1 1 1 -14 70  24 o 41.923  8.2784  1138.63    362.556  1148.46    482.676  1125.91    549.207  39.634  10.903  38.069  11.957  1.564739       16.18108  
1 1 1 -14 71  1  o 80.383  2.8574  3512.58    248.773  3388.26    347.641  3643.05    356.150  78.687  4.0932  81.710  4.0243  -3.023109      5.740115  
1 1 1 -14 71  2  o 44.786  3.5286  1099.22    169.779  990.918    239.797  1208.07    240.411  42.166  5.3727  46.738  4.8182  -4.571957      7.216702  
1 1 1 -14 71  3  o 58.400  2.3800  1851.95    150.544  1824.08    175.014  1931.23    295.190  57.931  2.7893  59.242  4.6375  -1.311050      5.411709  
1 1 1 -14 71  4  o 101.607 3.0331  5615.54    333.793  5723.65    466.454  5502.07    477.862  102.374 4.2068  100.334 4.3973  2.040001       6.085450  
1 1 1 -14 71  5  o 165.268 3.5616  14883.43   637.543  14485.79   899.102  15285.56   904.163  162.517 5.1079  166.988 4.9991  -4.470352      7.147119  
1 1 1 -14 71  6  o 94.542  3.0705  4863.70    314.416  4894.33    441.248  4832.10    448.134  94.622  4.3055  93.999  4.4016  0.6232605      6.157238  
1 1 1 -14 71  7  f 35.454  7.2374  723.277    268.513  648.342    383.459  795.370    376.116  33.415  9.8948  36.785  9.4040  -3.369717      13.65069  
1 1 1 -14 71  8  o 25.770  6.0120  381.099    164.730  399.248    228.596  361.492    237.592  26.410  7.5891  25.383  7.8466  1.027153       10.91622  
1 1 1 -14 71  9  o 39.840  4.1369  877.234    175.910  1204.34    253.134  571.726    244.633  46.538  5.1058  31.400  7.3270  15.13816       8.930552  
1 1 1 -14 71  10 o 29.804  1.8840  484.033    60.505   677.179    242.475  471.208    62.482   34.321  6.7634  29.396  1.9739  4.924438       7.045558  
1 1 1 -14 71  11 f 16.109  6.3150  88.392     160.489  120.284    228.167  57.164     225.784  18.986  7.5022  17.589  7.2742  1.397335       10.44972  
1 1 1 -14 71  12 o 86.850  3.1788  4114.21    299.024  4105.53    425.899  4122.65    419.931  86.315  4.5719  86.520  4.4967  -0.2043610     6.412712  
1 1 1 -14 71  13 o 107.608 3.1456  6317.86    366.624  6214.58    515.472  6423.58    521.551  106.321 4.4763  108.102 4.4545  -1.780823      6.314998  
1 1 1 -14 71  14 o 42.146  2.0122  965.086    91.856   833.353    311.194  977.658    96.139   37.673  7.8799  42.414  2.0928  -4.741665      8.153109  
1 1 1 -14 71  15 f 47.895  4.4329  1274.39    227.354  1308.81    354.555  1250.36    296.288  47.651  7.0853  46.970  5.9580  0.6816864      9.257442  
1 1 1 -14 71  16 o 90.860  3.2325  4519.19    318.117  4671.51    463.884  4383.96    437.083  91.729  4.6847  88.915  4.5539  2.814583       6.533288  
1 1 1 -14 71  17 o 54.910  4.5236  1685.25    266.643  1665.70    422.724  1698.17    343.627  53.174  7.5521  54.535  5.9122  -1.361492      9.591063  
1 1 1 -14 71  18 o 31.792  7.2340  611.094    243.491  298.929    378.048  832.391    318.304  24.875  9.7086  36.765  8.2020  -11.89027      12.70945  
1 1 1 -14 71  19 o 16.966  7.1413  52.662     223.352  131.145    361.073  4.0180     284.263  21.687  9.1015  17.920  7.8067  3.767010       11.99085  
1 1 1 -14 71  20 o 30.494  7.2745  571.198    236.904  458.428    362.692  655.113    312.869  27.394  9.7326  32.021  8.7652  -4.626862      13.09777  
1 1 1 -14 71  21 o 61.524  6.2776  2229.59    412.459  2354.19    592.661  2112.55    574.379  60.476  9.3496  56.953  9.6563  3.522652       13.44095  
1 1 1 -14 71  22 o 37.212  8.6990  902.636    344.328  363.797    456.457  1614.13    524.514  25.937  10.488  48.642  10.278  -22.70480      14.68423  
1 1 1 -14 71  23 o 25.442  9.3163  405.883    335.376  370.222    443.183  453.671    513.035  25.611  10.342  27.337  11.096  -1.726505      15.16833  
1 1 1 -14 71  24 o 26.213  9.4283  445.787    341.364  633.727    453.928  201.146    517.894  29.895  10.855  24.131  10.524  5.764229       15.11914  
1 1 1 -14 72  1  o 27.586  4.7517  428.164    136.851  608.290    192.143  242.715    194.961  32.822  5.6062  21.446  7.1561  11.37658       9.090591  
1 1 1 -14 72  2  f 67.388  2.9801  2470.06    217.512  2522.43    301.568  2413.29    314.028  67.841  4.1237  66.297  4.3982  1.544090       6.028996  
1 1 1 -14 72  3  o 46.349  3.6562  1178.27    182.052  1159.53    254.157  1198.02    260.897  45.676  5.2318  46.425  5.2826  -0.7492714     7.434916  
1 1 1 -14 72  4  o 21.946  6.3258  272.162    158.606  423.112    219.998  108.789    228.872  27.126  7.3189  18.834  7.4910  8.292265       10.47287  
1 1 1 -14 72  5  o 60.514  2.5135  1989.66    164.740  1834.18    193.201  2403.87    315.342  57.973  3.0880  66.146  4.4272  -8.172859      5.397761  
1 1 1 -14 72  6  o 94.747  2.8550  4882.71    292.986  4946.39    386.322  4796.51    449.508  95.213  3.7461  93.620  4.4330  1.593376       5.803878  
1 1 1 -14 72  7  o 120.130 3.6038  7871.60    468.908  7723.00    565.428  8198.87    839.119  118.784 4.3949  121.513 6.3983  -2.729225      7.762290  
1 1 1 -14 72  8  o 69.469  3.1392  2628.60    236.198  2698.13    331.111  2556.56    337.038  70.059  4.3857  68.139  4.5936  1.919312       6.350995  
1 1 1 -14 72  9  o 80.312  2.7141  3508.84    236.087  3418.28    382.579  3564.54    300.026  78.836  4.4992  80.839  3.4266  -2.003258      5.655477  
1 1 1 -14 72  10 o 90.321  3.0436  4444.37    297.747  4241.10    415.315  4659.33    427.087  87.957  4.3595  92.213  4.2762  -4.256081      6.106631  
1 1 1 -14 72  11 o 114.855 3.1064  7191.77    386.434  6677.31    540.970  7727.82    552.203  110.259 4.5299  118.700 4.2952  -8.440720      6.242468  
1 1 1 -14 72  12 o 80.242  3.1878  3513.06    277.050  3416.77    400.886  3601.09    383.319  78.649  4.7280  80.857  4.3935  -2.207161      6.454185  
1 1 1 -14 72  13 o 130.875 3.2766  9352.88    464.462  9335.20    664.984  9369.72    649.005  130.178 4.7163  130.476 4.5925  -0.2976685     6.582889  
1 1 1 -14 72  14 o 53.889  2.5193  1581.16    147.048  1884.18    342.796  1512.82    162.785  57.996  5.5239  52.593  2.8685  5.402939       6.224291  
1 1 1 -14 72  15 o 85.030  3.3604  3957.95    309.483  3804.76    448.404  4097.31    427.680  82.678  5.0313  85.993  4.6086  -3.315224      6.822970  
1 1 1 -14 72  16 o 65.909  3.7171  2396.92    264.267  2468.68    405.865  2344.10    348.189  66.066  5.7287  64.691  5.0084  1.375076       7.609329  
1 1 1 -14 72  17 o 29.307  2.0448  470.070    64.502   552.499    343.251  467.053    65.671   29.944  9.4589  29.206  2.0899  0.7379303      9.687020  
1 1 1 -14 72  18 o 98.463  3.3341  5343.64    355.562  5858.42    526.823  4912.98    481.862  102.174 4.7605  93.448  4.7768  8.725243       6.743911  
1 1 1 -14 72  19 o 81.814  3.5608  3703.42    315.536  3985.05    468.798  3470.16    426.645  83.734  5.1947  78.211  5.0637  5.522690       7.254376  
1 1 1 -14 72  20 o 16.960  7.5135  -33.1079   273.679  598.271    488.408  -322.0939  330.427  30.453  11.229  15.409  7.3168  15.04340       13.40225  
1 1 1 -14 72  21 o 34.219  8.9331  765.498    334.643  620.838    444.398  954.966    508.585  30.404  10.776  36.418  11.515  -6.013783      15.77080  
1 1 1 -14 72  22 o 16.941  7.7320  -108.7728  315.163  72.196     412.176  -363.5186  489.028  21.299  9.3363  18.753  8.9036  2.545988       12.90117  
1 1 1 -14 72  23 o 29.453  9.9543  594.472    377.278  550.696    544.652  634.853    523.104  28.890  11.535  30.075  11.505  -1.185034      16.29185  
1 1 1 -14 73  1  o 55.412  3.1049  1676.39    185.599  1629.36    256.609  1727.97    268.766  54.407  4.3921  56.024  4.4664  -1.617073      6.264093  
1 1 1 -14 73  2  o 94.971  2.8470  4905.24    292.850  5004.71    422.230  4813.04    406.521  95.719  4.0727  93.883  3.9979  1.836113       5.706988  
1 1 1 -14 73  3  o 106.500 2.9755  6171.05    343.231  5980.61    482.188  6366.66    488.681  104.590 4.2565  107.931 4.1803  -3.340965      5.965987  
1 1 1 -14 73  4  o 56.589  3.3798  1750.88    206.204  1771.49    292.845  1730.61    290.402  56.646  4.8188  55.981  4.8370  0.6658134      6.827742  
1 1 1 -14 73  5  o 58.995  3.3912  1902.80    215.782  2083.17    304.598  1721.09    305.729  61.500  4.6062  55.753  5.1201  5.747688       6.887177  
1 1 1 -14 73  6  o 96.219  3.0394  5040.00    316.753  4731.79    440.159  5371.06    456.183  92.973  4.3710  99.083  4.2508  -6.110252      6.097135  
1 1 1 -14 73  7  o 131.298 3.7997  9415.46    540.357  9493.80    653.821  9246.64    959.789  131.589 4.5874  128.698 6.9108  2.891342       8.294769  
1 1 1 -14 73  8  o 46.811  3.7070  1203.94    186.414  1211.51    269.483  1197.01    258.140  46.578  5.4444  46.348  5.2340  0.2306938      7.552222  
1 1 1 -14 73  9  o 50.961  3.7877  1426.95    207.573  1716.05    295.585  1145.68    291.560  55.646  4.9562  45.074  6.1314  10.57272       7.883977  
1 1 1 -14 73  10 o 67.633  3.1816  2494.29    233.066  2422.23    331.338  2564.86    327.898  66.237  4.6479  68.218  4.4624  -1.981010      6.443318  
1 1 1 -14 73  11 o 100.389 3.0748  5495.10    334.331  5462.19    467.692  5529.49    478.112  99.756  4.3286  100.347 4.3990  -0.5906754     6.171562  
1 1 1 -14 73  12 o 111.777 3.1464  6816.80    380.918  6681.25    539.674  6951.37    537.729  110.225 4.5204  112.471 4.4142  -2.245857      6.318184  
1 1 1 -14 73  13 o 129.836 3.2510  9207.47    457.175  9531.07    655.073  8900.20    638.339  131.539 4.5980  127.092 4.6373  4.446266       6.530347  
1 1 1 -14 73  14 o 102.082 3.1672  5695.04    350.180  6037.72    507.675  5384.02    483.655  104.636 4.4796  98.793  4.5200  5.842789       6.363736  
1 1 1 -14 73  15 o 19.681  6.9628  197.646    185.441  118.728    269.224  268.888    255.798  19.840  8.0433  22.811  8.1661  -2.970566      11.46212  
1 1 1 -14 73  16 o 60.887  4.1231  2059.35    270.304  2160.01    414.483  1984.86    356.557  61.352  6.3283  59.135  5.6351  2.217590       8.473616  
1 1 1 -14 73  17 o 70.451  2.8288  2720.31    215.857  2853.10    409.364  2669.17    254.046  70.883  5.3720  69.613  3.3694  1.270645       6.341227  
1 1 1 -14 73  18 o 27.059  7.7571  448.227    239.088  116.513    379.345  666.834    307.953  21.885  9.2643  32.587  8.5997  -10.70194      12.64052  
1 1 1 -14 73  19 o 28.667  7.7152  508.894    244.835  670.766    378.230  392.146    321.213  32.063  9.8983  25.784  9.1593  6.279108       13.48591  
1 1 1 -14 73  20 o 38.970  8.8777  975.634    366.347  1142.32    462.978  696.479    599.147  41.100  10.394  32.176  12.312  8.924492       16.11220  
1 1 1 -14 73  21 o 20.862  8.8845  115.235    352.471  191.532    512.545  46.780     485.492  24.478  10.573  22.452  9.9740  2.026716       14.53524  
1 1 1 -14 73  22 o 54.706  7.0042  1825.78    405.489  1697.46    511.909  2041.87    664.326  50.222  9.7626  52.676  11.922  -2.454346      15.40906  
1 1 1 -14 73  23 o 18.911  8.4402  -12.7365   351.877  249.853    431.771  -532.0422  607.192  23.767  9.9626  19.785  9.5334  3.981823       13.78908  
1 1 1 -14 74  1  o 112.753 2.9338  6917.57    358.286  7170.14    494.964  6639.55    519.299  114.564 3.9889  110.153 4.3526  4.411507       5.903966  
1 1 1 -14 74  2  o 54.937  3.2485  1649.62    192.436  1561.98    264.070  1748.86    281.011  53.198  4.6292  56.308  4.6493  -3.109875      6.560891  
1 1 1 -14 74  3  o 78.361  2.5922  3337.84    220.008  3380.83    359.206  3312.03    278.322  78.509  4.2400  77.968  3.2958  0.5403290      5.370292  
1 1 1 -14 74  4  o 85.180  3.0161  3949.55    278.259  3954.97    392.873  3944.10    394.166  84.912  4.2857  84.790  4.3062  0.1220245      6.075359  
1 1 1 -14 74  5  o 83.878  2.7351  3826.61    248.476  4193.06    395.761  3588.18    319.239  87.551  4.1735  81.088  3.6349  6.462631       5.534487  
1 1 1 -14 74  6  o 85.984  3.6280  4035.22    337.872  3934.94    591.022  4083.90    411.798  83.939  6.5528  86.229  4.4241  -2.289963      7.906428  
1 1 1 -14 74  7  o 62.054  3.4004  2106.30    227.673  2010.21    312.605  2214.85    332.247  60.311  4.8260  63.310  4.8830  -2.998661      6.865416  
1 1 1 -14 74  8  f 78.868  3.0777  3388.93    262.907  3516.65    369.871  3258.50    373.773  80.005  4.2839  76.945  4.5046  3.059883       6.216373  
1 1 1 -14 74  9  o 74.937  3.1886  3062.00    258.799  2945.72    367.226  3176.74    364.779  73.075  4.6641  75.957  4.4534  -2.882095      6.448802  
1 1 1 -14 74  10 o 22.424  6.6597  285.446    173.519  213.731    237.384  367.728    254.272  21.356  7.8352  25.583  8.1475  -4.226982      11.30364  
1 1 1 -14 74  11 o 38.311  4.5815  818.129    186.340  811.524    265.919  824.501    261.194  37.551  6.7879  37.914  6.6003  -0.3624687     9.467869  
1 1 1 -14 74  12 f 36.339  5.0619  742.582    193.819  409.729    286.363  1023.96    263.292  26.892  8.6550  42.545  5.8700  -15.65291      10.45786  
1 1 1 -14 74  13 o 73.287  3.4171  2938.28    271.245  2580.58    385.367  3289.49    381.852  68.021  5.2719  77.102  4.5934  -9.080208      6.992286  
1 1 1 -14 74  14 o 55.217  3.9214  1684.15    232.998  1827.73    324.615  1531.56    334.633  57.082  5.3114  51.936  6.0629  5.145973       8.060434  
1 1 1 -14 74  15 o 27.537  1.5432  413.071    45.841   402.916    293.839  413.325    46.409   26.417  8.7839  27.543  1.5621  -1.125959      8.921721  
1 1 1 -14 74  16 o 16.653  6.7375  83.533     188.483  -47.9355   275.481  199.245    258.446  17.049  7.5463  21.015  8.0753  -3.966900      11.05249  
1 1 1 -14 74  17 o 46.918  2.4904  1206.96    126.099  1075.56    389.085  1222.38    133.294  41.441  8.9318  47.187  2.6183  -5.745987      9.307627  
1 1 1 -14 74  18 o 53.466  4.5303  1611.09    259.880  1790.12    428.983  1507.29    326.641  54.673  7.4373  50.945  6.0372  3.728447       9.579229  
1 1 1 -14 74  19 o 18.929  7.6366  130.886    241.412  554.079    407.869  -97.3190   299.511  29.502  10.336  16.885  7.6398  12.61712       12.85281  
1 1 1 -14 74  20 o 54.022  6.9289  1752.38    396.070  1899.16    579.662  1623.83    542.443  53.206  10.432  48.991  10.536  4.214401       14.82637  
1 1 1 -14 74  21 o 55.171  6.5057  1818.87    381.276  2233.02    519.349  1334.71    561.530  59.579  8.2713  42.649  11.771  16.93019       14.38645  
1 1 1 -14 74  22 o 38.828  9.3661  1013.56    389.336  508.975    568.578  1459.02    534.234  28.600  11.654  45.181  11.016  -16.58122      16.03642  
1 1 1 -14 75  1  o 31.958  4.2728  568.549    144.194  558.663    196.147  580.175    212.701  31.294  6.0054  31.817  6.3941  -0.5233955     8.772059  
1 1 1 -14 75  2  o 60.170  3.6108  1982.48    234.230  1897.38    264.859  2287.94    501.767  58.746  4.1901  63.595  7.4244  -4.848782      8.525141  
1 1 1 -14 75  3  o 79.106  3.0383  3407.23    260.323  3308.63    365.025  3509.29    371.361  77.613  4.3599  79.953  4.3042  -2.339897      6.126612  
1 1 1 -14 75  4  o 125.481 3.1250  8576.42    424.719  8600.15    597.416  8552.18    603.923  125.299 4.4021  124.929 4.4632  0.3698120      6.268857  
1 1 1 -14 75  5  o 58.791  3.3771  1890.82    214.139  2004.71    296.984  1767.49    309.052  60.293  4.5820  56.465  5.1087  3.827747       6.862499  
1 1 1 -14 75  6  o 45.776  6.6390  1187.81    319.559  1188.87    422.834  1186.40    487.986  45.037  8.9832  44.549  10.317  0.4881516      13.67949  
1 1 1 -14 75  7  o 78.246  2.6670  3330.83    226.028  3388.21    369.943  3296.66    285.517  78.498  4.3685  77.734  3.3912  0.7644806      5.530232  
1 1 1 -14 75  8  o 47.646  3.6549  1247.58    187.176  1037.87    249.501  1517.53    283.080  43.019  5.4792  52.253  5.0655  -9.233810      7.461931  
1 1 1 -14 75  9  o 37.283  4.7387  776.283    187.031  947.409    260.355  593.805    268.852  40.893  6.0618  31.823  7.8491  9.070288       9.917356  
1 1 1 -14 75  10 o 59.291  3.4931  1927.23    223.329  1799.91    309.982  2064.64    322.032  56.903  5.0831  61.022  4.9140  -4.119453      7.070017  
1 1 1 -14 75  11 o 121.547 3.1725  8062.41    417.654  7418.95    585.855  8727.38    595.568  116.083 4.6596  126.031 4.3630  -9.948181      6.383400  
1 1 1 -14 75  12 o 95.715  3.1725  5003.37    328.885  4319.48    465.186  5686.84    465.041  88.300  4.8830  101.714 4.2213  -13.41403      6.454671  
1 1 1 -14 75  13 o 133.501 3.2718  9748.59    473.082  9778.61    675.511  9719.70    662.750  133.012 4.6889  132.654 4.6128  0.3581696      6.577500  
1 1 1 -14 75  14 o 110.547 3.1980  6692.21    382.906  7190.24    554.186  6237.27    529.667  113.977 4.4892  106.093 4.6094  7.883499       6.434252  
1 1 1 -14 75  15 o 37.408  2.1174  764.583    85.438   803.230    356.031  762.221    88.010   35.970  9.1245  37.339  2.1857  -1.368965      9.382618  
1 1 1 -14 75  16 o 13.047  6.0635  -159.6664  206.593  -299.1368  310.014  -48.2503   277.085  15.167  7.1678  17.042  7.5545  -1.874970      10.41385  
1 1 1 -14 75  17 o 14.498  1.8260  116.211    28.036   162.157    308.497  115.829    28.153   21.172  8.6007  14.472  1.8375  6.700376       8.794765  
1 1 1 -14 75  18 o 44.653  5.4176  1148.06    256.648  884.791    389.999  1349.15    340.856  36.887  9.6505  47.695  6.7899  -10.80821      11.79979  
1 1 1 -14 75  19 f 38.247  8.6875  931.327    351.687  965.626    446.707  875.408    570.377  37.727  10.531  35.120  12.227  2.607101       16.13678  
1 1 1 -14 75  20 f 24.594  9.3447  339.715    343.670  485.479    431.087  85.518     569.278  27.948  10.501  24.260  10.788  3.688196       15.05464  
1 1 1 -14 75  21 o 51.991  7.9708  1694.51    434.538  1186.87    590.725  2293.10    641.464  39.320  12.407  57.764  10.645  -18.44420      16.34815  
1 1 1 -14 75  22 o 41.538  8.3625  1110.71    363.209  1204.90    493.192  999.098    536.897  40.997  10.914  36.367  11.863  4.629208       16.11958  
1 1 1 -14 76  1  o 60.655  3.0782  2008.92    201.564  2003.92    279.033  2014.38    291.484  60.345  4.2973  60.460  4.4831  -0.1154556     6.210060  
1 1 1 -14 76  2  o 88.565  2.9597  4270.48    283.915  4279.29    398.677  4261.42    404.419  88.428  4.1626  88.228  4.2321  0.2003784      5.936140  
1 1 1 -14 76  3  o 72.815  3.0563  2887.71    241.036  3021.54    337.299  2748.03    344.570  74.177  4.2157  70.654  4.5265  3.523643       6.185590  
1 1 1 -14 76  4  o 40.892  4.0236  923.182    175.899  1067.17    245.147  770.388    252.534  43.713  5.2851  36.709  6.5940  7.004772       8.450603  
1 1 1 -14 76  5  o 75.340  3.1027  3092.74    253.180  3211.39    352.902  2966.90    363.432  76.447  4.2793  73.387  4.5954  3.059258       6.279382  
1 1 1 -14 76  6  o 26.426  1.3704  379.671    39.090   80.838     371.712  383.013    39.308   22.113  9.2548  26.542  1.3720  -4.429115      9.355933  
1 1 1 -14 76  7  o 63.588  3.4175  2213.33    234.509  2094.49    322.927  2345.93    341.110  61.508  4.8876  65.120  4.8715  -3.612461      6.900793  
1 1 1 -14 76  8  o 138.824 3.2939  10516.13   495.279  9661.04    695.252  11397.18   705.726  132.480 4.8453  144.042 4.5235  -11.56178      6.628662  
1 1 1 -14 76  9  o 59.914  3.4716  1967.27    224.314  1692.36    313.287  2256.47    321.322  55.103  5.3151  63.885  4.6763  -8.781166      7.079451  
1 1 1 -14 76  10 o 64.980  3.3008  2311.25    231.545  2390.69    330.858  2234.99    324.152  65.743  4.6770  63.536  4.7447  2.207169       6.662276  
1 1 1 -14 76  11 o 165.848 3.5920  15053.83   645.237  14936.67   912.927  15170.77   912.080  164.307 5.1299  165.621 5.0845  -1.313446      7.222734  
1 1 1 -14 76  12 o 91.857  3.1901  4611.49    317.383  4830.63    450.672  4395.86    447.045  93.613  4.4448  89.115  4.6477  4.498268       6.430975  
1 1 1 -14 76  13 o 25.528  7.0261  382.881    200.395  592.042    286.230  181.789    280.653  31.396  8.2935  21.369  8.3583  10.02703       11.77463  
1 1 1 -14 76  14 o 19.833  7.2393  193.598    202.277  19.006     290.788  357.286    281.561  18.605  8.0000  25.164  8.5989  -6.559208      11.74483  
1 1 1 -14 76  15 o 38.241  1.8905  795.950    78.304   926.760    334.328  788.357    80.544   38.978  8.1799  38.001  1.9636  0.9775848      8.412302  
1 1 1 -14 76  16 o 24.821  7.3485  369.555    211.513  74.083     333.637  568.106    273.496  20.341  8.6527  30.337  8.1500  -9.996063      11.88663  
1 1 1 -14 76  17 o 46.728  2.6061  1199.18    131.372  1334.52    351.501  1177.20    141.637  47.355  7.0696  46.235  2.8421  1.120041       7.619503  
1 1 1 -14 76  18 o 69.380  5.2008  2744.70    387.978  3280.95    581.966  2315.69    520.528  74.111  7.3469  61.667  7.9805  12.44395       10.84734  
1 1 1 -14 76  19 o 47.576  7.4828  1381.02    372.855  781.411    552.801  1881.47    505.025  33.420  12.000  54.523  8.8558  -21.10248      14.91422  
1 1 1 -14 76  20 o 43.913  8.1755  1215.68    374.534  1020.85    557.795  1375.63    505.414  37.094  12.091  44.687  10.602  -7.592350      16.08118  
1 1 1 -14 76  21 o 23.305  9.0519  292.316    327.406  492.101    442.619  50.920     486.536  27.820  10.597  22.369  9.9584  5.450912       14.54171  
1 1 1 -14 77  1  o 16.814  5.9120  138.990    133.501  -11.7840   182.419  312.871    195.900  14.657  6.3195  23.525  7.0966  -8.868067      9.502535  
1 1 1 -14 77  2  o 76.051  3.0067  3150.43    247.665  3263.47    349.672  3036.65    350.832  77.081  4.2042  74.301  4.3788  2.779694       6.070405  
1 1 1 -14 77  3  o 132.913 3.2422  9632.15    466.743  9639.99    664.332  9624.50    655.898  132.503 4.6290  132.418 4.5732  0.8477783E-01  6.507061  
1 1 1 -14 77  4  o 103.009 3.0185  5780.69    336.767  5778.21    475.924  5783.17    476.598  102.679 4.2794  102.722 4.2837  -0.4290009E-01 6.055058  
1 1 1 -14 77  5  o 47.877  3.7971  1260.98    195.288  1326.62    270.969  1190.03    281.702  48.791  5.2080  46.029  5.7778  2.761780       7.778622  
1 1 1 -14 77  6  o 28.598  8.7418  470.728    295.842  469.594    387.967  472.303    457.297  29.344  10.092  30.176  10.905  -0.8323631     14.85775  
1 1 1 -14 77  7  o 82.355  3.1648  3698.77    282.297  3576.89    391.242  3831.14    407.727  80.580  4.5008  83.394  4.5310  -2.813431      6.386485  
1 1 1 -14 77  8  o 156.704 3.5170  13416.22   596.924  13245.66   837.950  13591.95   850.547  155.015 4.9908  157.023 5.0011  -2.007584      7.065362  
1 1 1 -14 77  9  o 86.553  2.7930  4080.80    261.829  4044.54    409.341  4105.92    340.623  85.681  4.4260  86.645  3.6296  -0.9635620     5.723980  
1 1 1 -14 77  10 o 70.984  2.6590  2744.43    204.434  3071.69    354.490  2581.35    250.239  74.603  4.4067  68.726  3.3617  5.876747       5.542577  
1 1 1 -14 77  11 o 151.515 3.5161  12568.09   577.020  12553.34   789.750  12584.98   845.121  150.700 4.8384  150.668 5.1788  0.3237915E-01  7.087338  
1 1 1 -14 77  12 o 66.417  2.6704  2405.81    192.100  2610.00    365.017  2327.59    225.917  68.425  4.9589  65.229  3.1977  3.196846       5.900485  
1 1 1 -14 77  13 o 55.715  3.7035  1714.73    222.214  1495.78    315.029  1931.54    313.492  51.297  5.7702  58.698  4.9778  -7.401615      7.620677  
1 1 1 -14 77  14 o 53.123  4.1215  1571.51    235.282  1770.61    360.104  1423.20    310.793  55.546  6.0852  49.839  5.8701  5.706730       8.455001  
1 1 1 -14 77  15 o 52.397  4.0830  1531.98    229.888  1595.18    335.604  1476.11    315.543  52.605  5.9974  50.651  5.8600  1.953732       8.385019  
1 1 1 -14 77  16 o 38.886  5.3044  868.257    217.580  1051.02    318.133  707.632    298.240  41.893  7.2753  33.797  8.2252  8.095585       10.98107  
1 1 1 -14 77  17 o 47.090  6.4993  1305.27    322.650  843.467    477.308  1693.86    437.836  35.333  11.153  52.805  7.8979  -17.47203      13.66649  
1 1 1 -14 77  18 o 16.493  7.2547  -19.5633   250.787  257.364    340.023  -349.9230  371.381  23.242  9.1664  16.350  7.7617  6.891460       12.01108  
1 1 1 -14 77  19 o 29.374  9.0807  558.751    318.204  515.781    436.039  607.704    465.411  28.601  10.597  30.326  10.994  -1.724852      15.27015  
1 1 1 -14 77  20 o 19.936  8.4123  111.522    311.195  -39.6514   425.856  284.754    455.868  20.383  9.1765  24.875  10.316  -4.491941      13.80677  
1 1 1 -14 77  21 o 21.288  9.0023  143.969    357.605  -157.3462  534.670  387.860    481.032  21.268  9.8385  26.481  10.746  -5.213526      14.56956  
1 1 1 -14 78  1  o 109.134 2.8071  6484.27    331.811  6584.23    451.221  6366.58    489.631  109.732 3.7965  107.789 4.1940  1.943069       5.657106  
1 1 1 -14 78  2  o 63.281  2.3687  2176.85    162.353  1859.35    298.648  2310.04    193.432  57.957  4.8007  65.147  2.7414  -7.189388      5.528305  
1 1 1 -14 78  3  o 38.708  4.3331  831.547    178.551  806.023    248.407  858.829    256.822  37.603  6.3237  38.843  6.3220  -1.239857      8.941839  
1 1 1 -14 78  4  o 41.187  2.1883  924.265    97.272   905.323    103.780  1061.25    279.093  40.742  2.3620  43.326  6.1176  -2.584373      6.557769  
1 1 1 -14 78  5  o 80.499  3.1858  3533.93    277.770  3506.54    388.009  3562.72    397.828  79.787  4.5084  80.401  4.5874  -0.6147079     6.431936  
1 1 1 -14 78  6  o 112.482 4.6046  6953.73    560.981  6935.09    774.715  6974.28    813.393  111.379 6.4496  111.520 6.7660  -0.1409912     9.347519  
1 1 1 -14 78  7  o 91.962  3.1072  4611.79    309.488  4699.32    429.665  4517.42    446.165  92.543  4.2866  90.546  4.5641  1.996948       6.261491  
1 1 1 -14 78  8  o 140.854 3.3734  10836.89   514.640  10646.36   712.902  11044.23   743.696  139.036 4.7341  141.551 4.8508  -2.515121      6.778023  
1 1 1 -14 78  9  o 54.325  3.7179  1623.41    217.446  1473.86    305.269  1777.44    309.811  51.243  5.5909  56.476  5.1205  -5.232784      7.581378  
1 1 1 -14 78  10 o 82.449  3.1107  3712.53    277.793  3534.78    395.450  3885.70    390.319  79.935  4.5868  83.923  4.3086  -3.988174      6.293018  
1 1 1 -14 78  11 o 24.746  6.8115  357.640    188.329  272.728    258.801  453.218    274.574  23.010  8.2164  27.769  8.4073  -4.758499      11.75547  
1 1 1 -14 78  12 o 57.378  2.5148  1795.44    156.286  1868.16    319.827  1772.62    179.129  57.671  5.1753  56.871  2.9179  0.7999268      5.941168  
1 1 1 -14 78  13 o 73.050  3.4753  2934.31    274.968  3221.26    392.209  2656.95    385.604  75.883  4.7967  68.684  5.2225  7.199074       7.091063  
1 1 1 -14 78  14 o 33.605  6.3309  664.202    221.975  647.628    328.581  678.116    301.062  32.201  9.0469  33.154  8.3799  -0.9534073     12.33163  
1 1 1 -14 78  15 o 59.670  4.1381  1986.69    265.791  1993.72    380.068  1979.95    371.837  58.814  6.0528  58.677  5.9322  0.1364784      8.475158  
1 1 1 -14 78  16 o 35.324  6.6351  742.461    244.533  763.406    377.062  727.258    321.250  34.401  9.7006  34.010  8.6891  0.3912277      13.02314  
1 1 1 -14 78  17 o 32.484  7.8784  654.967    274.341  714.596    377.382  588.139    399.516  33.089  9.8202  30.293  10.243  2.795595       14.19026  
1 1 1 -14 78  18 o 24.014  8.6839  330.694    290.078  12.359     438.497  578.407    386.811  21.476  9.5127  29.846  10.079  -8.369627      13.85941  
1 1 1 -14 78  19 f 46.049  7.3872  1297.88    355.989  1317.77    504.226  1278.11    502.667  43.708  10.730  42.944  10.814  0.7637405      15.23390  
1 1 1 -14 78  20 o 33.243  10.144  760.059    398.567  847.641    548.276  661.909    580.412  33.975  11.977  31.053  12.055  2.922310       16.99339  
1 1 1 -14 78  21 o 19.766  8.6231  49.626     347.917  95.506     437.878  -28.9355   572.990  22.083  9.6528  23.014  10.473  -0.9311752     14.24317  
1 1 1 -14 79  1  o 37.780  3.9445  789.501    159.028  622.633    214.782  991.986    236.596  32.960  6.2451  42.078  5.3096  -9.118206      8.197137  
1 1 1 -14 79  2  o 80.337  2.9852  3516.73    259.753  3615.21    364.220  3414.80    370.554  81.118  4.1595  78.776  4.3599  2.342361       6.025803  
1 1 1 -14 79  3  o 119.630 3.1323  7803.03    405.860  7825.94    571.426  7779.71    576.554  119.407 4.4183  119.035 4.4720  0.3725433      6.286503  
1 1 1 -14 79  4  o 172.272 3.6259  16219.54   676.559  16582.20   953.431  15851.72   960.202  173.433 5.0756  169.477 5.2310  3.956039       7.288686  
1 1 1 -14 79  5  f 117.475 3.1322  7525.79    398.538  7708.53    562.222  7341.23    565.025  118.501 4.3804  115.596 4.5129  2.905434       6.289205  
1 1 1 -14 79  6  o 49.656  4.7682  1369.43    253.293  1450.94    293.635  1132.39    500.708  50.951  5.4034  43.133  10.755  7.817654       12.03591  
1 1 1 -14 79  7  o 82.913  3.0657  3749.86    275.306  3887.12    393.780  3618.62    385.051  84.006  4.3427  81.025  4.4042  2.980423       6.185130  
1 1 1 -14 79  8  o 69.868  3.4406  2669.23    260.366  2748.17    365.174  2587.60    371.328  70.416  4.8170  68.237  5.0603  2.178650       6.986406  
1 1 1 -14 79  9  o 72.685  3.2568  2887.58    256.396  3008.88    361.355  2764.60    363.854  73.743  4.5464  70.593  4.7871  3.150314       6.601951  
1 1 1 -14 79  10 o 35.095  5.3040  698.993    195.320  675.784    271.799  723.777    280.873  33.788  7.6099  34.984  7.6277  -1.195480      10.77458  
1 1 1 -14 79  11 o 26.020  6.6827  398.573    189.318  436.030    262.343  357.868    273.476  27.163  8.2165  25.202  8.4752  1.961393       11.80423  
1 1 1 -14 79  12 o 74.567  3.3493  3052.81    270.504  2895.17    393.727  3193.75    372.275  71.813  5.0950  75.703  4.5616  -3.889450      6.838675  
1 1 1 -14 79  13 o 36.584  2.1642  731.981    85.373   881.661    311.590  719.832    88.770   38.211  7.7929  36.259  2.2718  1.951706       8.117250  
1 1 1 -14 79  14 o 60.789  3.8320  2051.54    251.010  1863.01    363.882  2222.68    346.705  56.918  5.9926  62.677  5.1528  -5.758408      7.903317  
1 1 1 -14 79  15 o 15.097  6.6939  -45.8641   217.664  -322.4276  369.606  100.979    269.320  16.693  7.8698  19.197  7.9425  -2.504581      11.18117  
1 1 1 -14 79  16 o 40.590  7.1834  990.336    304.248  691.065    451.337  1239.60    411.906  32.478  10.888  44.462  8.8645  -11.98409      14.04016  
1 1 1 -14 79  17 o 16.152  7.3030  -92.8455   273.142  -159.5996  416.034  -42.2729   362.116  19.235  8.8182  19.230  8.5738  0.5310059E-02  12.29918  
1 1 1 -14 79  18 o 20.511  8.2639  170.089    282.285  398.398    416.897  -23.2082   383.602  26.499  10.236  19.851  8.8397  6.647753       13.52478  
1 1 1 -14 79  19 o 74.186  4.9449  3146.32    395.050  3138.09    524.448  3157.12    600.641  72.472  6.7593  71.526  7.8842  0.9457321      10.38503  
1 1 1 -14 79  20 o 50.370  6.5864  1521.39    350.722  1731.00    472.186  1263.43    523.814  52.042  8.6830  41.986  11.279  10.05615       14.23392  
1 1 1 -14 80  1  o 42.039  3.7271  973.953    167.944  1121.90    228.307  799.501    247.920  44.910  4.7664  37.412  6.3451  7.498615       7.935946  
1 1 1 -14 80  2  o 88.207  2.6676  4235.07    254.859  4337.95    328.854  4080.36    403.275  89.129  3.4066  86.116  4.3375  3.012299       5.515316  
1 1 1 -14 80  3  o 82.705  3.0541  3729.34    273.576  3802.76    384.137  3653.77    389.713  83.140  4.2804  81.444  4.4346  1.696144       6.163392  
1 1 1 -14 80  4  o 139.046 3.2839  10553.90   494.564  10625.51   696.088  10480.91   702.797  138.977 4.6243  137.992 4.7022  0.9854584      6.595120  
1 1 1 -14 80  5  o 107.178 3.0108  6263.89    349.513  6056.40    488.725  6481.10    500.040  105.015 4.2968  108.651 4.2491  -3.636261      6.042959  
1 1 1 -14 80  6  o 63.537  3.5357  2214.49    242.351  2239.42    332.319  2186.18    354.199  63.536  4.8661  62.643  5.2693  0.8922386      7.172499  
1 1 1 -14 80  7  o 45.811  4.2222  1162.66    207.139  1092.01    284.093  1242.85    302.665  43.835  6.1531  46.827  6.1134  -2.991749      8.673805  
1 1 1 -14 80  8  o 43.850  4.4776  1070.15    209.673  1074.08    287.575  1065.69    306.360  43.374  6.3061  43.028  6.7996  0.3463898      9.273685  
1 1 1 -14 80  9  o 41.416  4.4565  957.002    196.762  1067.34    282.995  853.747    273.763  43.198  6.2284  38.340  6.8435  4.857925       9.253457  
1 1 1 -14 80  10 o 78.380  3.1632  3362.90    268.535  3396.99    384.332  3330.38    375.360  78.206  4.5571  77.460  4.4934  0.7459488      6.399779  
1 1 1 -14 80  11 o 50.486  4.0400  1415.96    219.065  1426.54    305.000  1404.69    314.845  50.056  5.7289  49.557  5.9871  0.4983177      8.286430  
1 1 1 -14 80  12 o 105.276 3.2292  6086.40    368.207  6314.36    523.487  5863.19    518.002  106.512 4.5377  102.559 4.6632  3.953377       6.506643  
1 1 1 -14 80  13 o 46.379  4.7232  1213.10    233.952  1314.67    327.595  1107.39    334.220  47.479  6.5443  43.077  7.4318  4.401897       9.902491  
1 1 1 -14 80  14 o 21.766  7.8798  249.781    238.943  76.446     380.612  362.533    306.973  21.468  9.1897  25.273  8.9565  -3.805071      12.83237  
1 1 1 -14 80  15 o 33.781  8.4141  712.525    306.706  1037.50    412.590  311.146    458.534  40.203  9.6064  26.073  10.523  14.13083       14.24804  
1 1 1 -14 80  16 o 37.482  7.3976  854.424    289.656  899.368    365.456  778.488    475.034  37.519  9.0892  34.024  11.162  3.494297       14.39423  
1 1 1 -14 80  17 o 25.567  9.1413  387.630    320.446  478.261    443.944  289.045    463.016  28.202  10.644  25.442  10.459  2.759556       14.92199  
1 1 1 -14 80  18 o 39.369  7.4813  955.039    307.346  1227.37    390.023  508.869    499.222  44.043  8.4839  28.827  11.183  15.21562       14.03683  
1 1 1 -14 80  19 o 43.897  8.1351  1212.82    372.538  1157.98    479.206  1296.60    592.274  40.782  10.711  41.666  12.286  -0.8833313     16.29959  
1 1 1 -14 80  20 o 22.439  8.8658  247.490    318.618  231.300    438.254  265.640    464.039  23.923  10.033  24.734  10.345  -0.8114395     14.41117  
1 1 1 -14 81  1  o 36.885  4.0545  754.783    159.303  797.734    220.370  707.771    230.552  37.549  5.5889  35.130  6.2902  2.418758       8.414478  
1 1 1 -14 81  2  o 41.379  4.0914  948.074    180.963  1017.90    258.438  880.903    253.476  42.451  5.7703  39.329  6.1520  3.121906       8.434660  
1 1 1 -14 81  3  o 104.210 3.0850  5925.07    348.210  5961.20    490.096  5888.23    494.824  104.148 4.3447  103.484 4.4147  0.6638794      6.194053  
1 1 1 -14 81  4  o 163.251 3.4966  14574.20   618.265  14113.74   871.422  15040.92   877.326  159.822 5.0341  165.070 4.9071  -5.248001      7.030049  
1 1 1 -14 81  5  o 38.686  7.8968  879.053    319.689  1043.59    430.075  675.867    477.917  41.563  9.7261  33.873  11.199  7.690170       14.83320  
1 1 1 -14 81  6  o 83.836  3.2146  3840.02    291.891  4404.51    415.767  3291.38    409.887  89.480  4.2900  77.008  4.9403  12.47137       6.542966  
1 1 1 -14 81  7  o 68.027  3.3794  2532.23    248.996  2475.26    343.822  2595.06    361.080  66.752  4.7873  68.311  4.9131  -1.558853      6.859767  
1 1 1 -14 81  8  f 84.286  3.2350  3887.24    295.323  4127.61    409.309  3626.23    426.523  86.376  4.3895  80.735  4.9009  5.641373       6.579244  
1 1 1 -14 81  9  o 45.862  4.4242  1173.22    217.038  1141.73    294.730  1210.52    320.802  44.596  6.2754  45.783  6.6649  -1.187447      9.154328  
1 1 1 -14 81  10 o 35.390  5.3300  715.183    197.968  919.669    276.485  500.055    283.588  39.710  6.6644  28.804  8.5039  10.90678       10.80423  
1 1 1 -14 81  11 o 23.053  6.7746  312.090    180.347  435.234    239.026  149.329    274.797  26.914  7.7680  20.388  8.1748  6.525976       11.27692  
1 1 1 -14 81  12 o 23.265  7.9730  304.558    242.072  117.300    288.341  751.675    445.551  20.059  8.2504  34.191  10.774  -14.13256      13.57015  
1 1 1 -14 81  13 o 13.045  6.0757  -168.6620  209.247  -891.7708  360.212  199.624    257.068  12.728  6.3574  20.946  8.0526  -8.218546      10.25970  
1 1 1 -14 81  14 o 30.801  8.1262  586.343    275.019  645.102    406.137  536.581    373.749  31.773  10.316  29.436  9.9078  2.337334       14.30294  
1 1 1 -14 81  15 o 21.127  8.1627  206.867    265.151  176.596    390.147  232.849    361.454  22.943  9.5314  23.335  9.3689  -0.3920479     13.36507  
1 1 1 -14 81  16 o 38.108  7.4698  887.186    297.295  1091.76    434.906  707.734    407.324  40.741  9.9432  32.701  10.301  8.040504       14.31717  
1 1 1 -14 81  17 o 42.874  6.4968  1094.14    292.241  983.815    400.853  1219.30    426.963  38.644  9.6158  43.344  9.3679  -4.700375      13.42467  
1 1 1 -14 81  18 o 50.730  6.5721  1535.82    352.621  1772.79    490.285  1281.91    507.524  52.655  8.9150  42.914  10.899  9.741364       14.08038  
1 1 1 -14 81  19 o 17.518  7.8301  -45.5139   304.040  -52.1074   417.795  -38.0911   443.292  20.140  9.0759  20.809  9.3658  -0.6694393     13.04188  
1 1 1 -14 82  1  o 76.536  3.3192  3201.59    275.145  2980.31    446.623  3336.94    349.301  72.994  5.6942  77.828  4.1588  -4.833862      7.051195  
1 1 1 -14 82  2  o 50.396  3.6779  1398.15    199.367  1506.79    285.877  1295.28    278.174  51.935  5.1501  48.028  5.4437  3.907276       7.493823  
1 1 1 -14 82  3  o 31.778  5.1276  572.259    170.481  834.145    229.943  252.594    254.046  38.335  5.7125  22.529  8.1298  15.80580       9.936096  
1 1 1 -14 82  4  o 116.896 3.0792  7461.35    389.863  7583.66    550.572  7338.35    552.131  117.381 4.3306  115.430 4.4163  1.951118       6.185249  
1 1 1 -14 82  5  o 100.499 4.6642  5577.36    507.705  5762.76    704.411  5376.92    732.414  101.077 6.4683  97.293  6.9971  3.784348       9.528752  
1 1 1 -14 82  6  o 75.295  3.2672  3101.68    266.450  3250.95    373.699  2947.32    380.015  76.605  4.5240  72.806  4.8467  3.798599       6.630067  
1 1 1 -14 82  7  o 69.277  3.3804  2629.51    253.646  2650.58    351.147  2606.52    366.783  69.024  4.7254  68.342  4.9896  0.6826096      6.872065  
1 1 1 -14 82  8  o 29.703  5.9287  512.096    184.051  329.452    264.411  683.776    256.352  24.380  8.3329  34.011  7.1842  -9.631233      11.00221  
1 1 1 -14 82  9  o 53.378  2.4588  1554.23    142.152  1330.55    316.564  1610.72    159.094  48.118  6.2196  54.298  2.7052  -6.179729      6.782479  
1 1 1 -14 82  10 o 30.840  1.2034  516.050    40.196   77.182     263.943  526.470    40.670   18.769  7.8219  31.150  1.2055  -12.38116      7.914275  
1 1 1 -14 82  11 o 15.350  6.4740  30.608     184.154  -43.4053   278.913  87.809     245.199  17.223  7.6099  18.411  7.5944  -1.187363      10.75109  
1 1 1 -14 82  12 o 14.724  6.6918  -110.5149  232.947  -192.5546  279.628  75.539     421.102  15.311  7.0942  22.378  9.6250  -7.067717      11.95691  
1 1 1 -14 82  13 o 29.142  8.6325  525.056    291.824  247.701    397.465  849.428    429.836  24.336  9.8055  36.112  10.415  -11.77651      14.30463  
1 1 1 -14 82  14 o 89.036  4.3761  4424.88    422.017  4186.21    587.954  4678.52    606.105  84.949  6.4380  89.990  6.2574  -5.040329      8.977943  
1 1 1 -14 82  15 o 16.803  7.1314  41.815     225.699  215.986    385.433  -49.0716   278.427  23.380  9.5685  16.944  7.5390  6.435976       12.18161  
1 1 1 -14 82  16 o 26.352  8.5924  428.877    281.675  731.840    413.999  167.757    384.349  33.095  10.379  22.506  9.4143  10.58808       14.01246  
1 1 1 -14 82  17 o 27.042  8.6926  460.763    288.924  249.457    423.114  645.373    395.484  24.193  9.9776  31.133  10.183  -6.939573      14.25631  
1 1 1 -14 82  18 o 33.216  8.2942  704.745    297.488  891.732    383.360  421.702    471.659  36.615  9.5626  27.226  10.777  9.388985       14.40818  
1 1 1 -14 83  1  o 15.398  5.9696  88.279     142.192  149.677    202.765  28.870     199.456  18.843  7.1735  16.013  6.7447  2.829538       9.846315  
1 1 1 -14 83  2  o 17.656  6.6520  134.548    173.227  186.642    233.089  70.278     258.898  20.470  7.7155  18.714  7.7687  1.755833       10.94901  
1 1 1 -14 83  3  o 42.116  4.1177  984.919    185.430  938.928    266.001  1028.40    258.631  40.466  6.2721  42.562  5.7582  -2.095905      8.514453  
1 1 1 -14 83  4  o 24.656  6.1135  354.254    162.456  255.376    206.398  515.258    263.375  21.732  7.3625  29.427  8.0366  -7.695797      10.89925  
1 1 1 -14 83  5  o 50.221  6.4399  1443.44    342.230  1763.95    464.264  1062.04    506.455  54.823  8.0592  41.026  11.120  13.79640       13.73297  
1 1 1 -14 83  6  o 41.324  1.9352  928.505    86.614   1013.41    282.317  919.683    91.003   41.927  6.4215  41.118  2.0434  0.8087540      6.738731  
1 1 1 -14 83  7  f 70.553  3.3968  2731.22    259.566  2768.51    361.036  2691.33    373.441  70.445  4.7598  69.345  5.0057  1.100014       6.907442  
1 1 1 -14 83  8  o 123.155 3.2589  8320.69    434.705  8278.68    607.913  8364.65    621.856  122.068 4.5980  122.644 4.6814  -0.5754852     6.561765  
1 1 1 -14 83  9  o 58.846  3.8048  1918.18    241.208  1771.21    330.385  2085.94    352.974  55.845  5.5351  60.695  5.4265  -4.850399      7.751400  
1 1 1 -14 83  10 o 25.547  7.1429  389.646    205.345  613.068    310.791  216.542    273.563  31.500  8.7805  21.707  8.3160  9.792637       12.09347  
1 1 1 -14 83  11 o 30.284  1.6229  499.919    53.040   493.464    297.108  500.131    53.906   28.439  8.7718  30.287  1.6495  -1.848005      8.925505  
1 1 1 -14 83  12 o 23.286  8.5160  287.613    280.108  453.444    384.963  101.038    408.333  27.896  10.015  22.409  9.5535  5.486317       13.84051  
1 1 1 -14 83  13 o 22.017  8.4752  228.669    285.015  74.840     387.547  409.880    420.626  21.533  9.2466  27.289  10.346  -5.755936      13.87551  
1 1 1 -14 83  14 o 44.661  5.7772  1155.61    272.905  981.627    445.621  1260.02    345.216  38.491  10.430  45.896  7.1799  -7.404732      12.66199  
1 1 1 -14 83  15 o 23.785  8.8022  310.226    300.660  577.242    407.427  -9.0533    445.518  30.015  10.341  21.492  9.5508  8.522524       14.07641  
1 1 1 -14 83  16 f 28.038  8.5093  496.382    281.031  477.551    352.494  529.232    465.569  27.656  9.6131  29.161  10.921  -1.505035      14.54934  
1 1 1 -14 83  17 o 22.748  8.4572  283.878    278.187  152.523    346.474  522.187    466.679  21.428  8.9486  28.861  10.908  -7.433109      14.10878  
1 1 1 -14 83  18 o 27.251  9.6550  466.460    356.696  264.546    466.511  750.641    553.446  24.905  10.391  32.699  11.969  -7.793562      15.84984  
1 1 1 -14 84  1  f 35.918  4.4531  723.308    169.524  700.723    230.049  750.146    250.776  34.765  6.3433  35.875  6.7003  -1.110115      9.226667  
1 1 1 -14 84  2  o 23.188  6.4932  313.095    169.555  335.358    248.023  293.562    232.320  24.396  8.0681  23.101  7.8113  1.295345       11.22987  
1 1 1 -14 84  3  o 21.526  6.6417  264.118    170.319  269.769    235.732  257.946    246.352  22.510  7.8593  22.378  8.0136  0.1313629      11.22434  
1 1 1 -14 84  4  o 67.436  3.3519  2493.00    244.825  2585.76    348.208  2402.32    344.296  68.111  4.7498  65.587  4.8816  2.523834       6.811094  
1 1 1 -14 84  5  o 47.985  6.6992  1331.45    338.678  1201.77    457.898  1488.08    503.233  44.029  9.8486  49.153  9.7963  -5.124763      13.89110  
1 1 1 -14 84  6  o 17.622  6.6993  133.368    176.687  44.786     244.261  230.587    255.892  17.678  7.4560  21.804  8.1103  -4.126064      11.01670  
1 1 1 -14 84  7  o 39.187  4.9976  870.090    207.286  902.554    288.431  835.412    298.100  39.115  7.0683  37.364  7.6243  1.750927       10.39669  
1 1 1 -14 84  8  o 23.938  7.0295  337.916    194.238  432.056    264.199  227.175    286.549  26.872  8.2689  22.214  8.5109  4.657675       11.86634  
1 1 1 -14 84  9  o 40.544  5.1127  934.109    219.524  734.938    304.520  1149.60    316.749  34.680  8.2306  44.299  6.8204  -9.619473      10.68927  
1 1 1 -14 84  10 o 47.989  4.3316  1289.11    222.718  1240.76    327.865  1330.54    303.487  46.027  6.7799  48.090  5.9539  -2.063164      9.023077  
1 1 1 -14 84  11 o 34.997  7.3066  736.359    268.021  922.832    408.824  595.802    354.939  37.994  9.8521  30.862  9.5989  7.132011       13.75504  
1 1 1 -14 84  12 o 17.596  7.4659  44.742     247.273  460.010    379.002  -263.0332  326.283  27.907  9.9453  15.997  7.4951  11.90963       12.45339  
1 1 1 -14 84  13 o 37.145  6.2749  812.181    243.456  1458.48    424.614  495.668    297.149  48.756  8.3405  28.275  8.7808  20.48081       12.11064  
1 1 1 -14 84  14 o 85.609  4.6284  4126.46    427.566  4047.42    618.230  4198.92    591.964  82.838  6.9549  84.823  6.4927  -1.985313      9.514467  
1 1 1 -14 84  15 o 36.474  7.7466  822.693    296.579  497.204    438.512  1097.10    402.634  28.552  10.618  41.278  9.2366  -12.72537      14.07294  
1 1 1 -14 84  16 o 32.840  8.2554  684.729    293.319  854.423    431.967  539.545    399.556  35.377  10.508  28.991  10.224  6.385454       14.66134  
1 1 1 -14 84  17 o 16.141  7.2970  -86.2911   272.543  -130.3903  406.333  -50.2261   367.460  19.166  8.7598  19.136  8.5766  0.3009415E-01  12.25942  
1 1 1 -14 85  1  o 45.876  2.1225  1145.74    105.465  1100.95    114.215  1404.88    274.739  44.882  2.3578  49.923  5.1552  -5.041409      5.668766  
1 1 1 -14 85  2  o 35.163  4.8670  699.976    180.394  614.547    254.605  786.094    255.629  32.071  7.4688  36.663  6.6837  -4.591751      10.02276  
1 1 1 -14 85  3  o 50.385  3.8403  1406.52    207.995  1339.29    290.493  1477.24    297.948  48.539  5.6301  51.069  5.4717  -2.530895      7.851000  
1 1 1 -14 85  4  o 101.834 3.0334  5678.68    334.575  5880.91    467.223  5465.83    479.331  103.119 4.1833  99.273  4.4579  3.845581       6.113347  
1 1 1 -14 85  5  o 67.750  2.7716  2509.54    203.381  2594.10    250.716  2346.81    347.798  68.726  3.3681  64.651  5.0058  4.075027       6.033472  
1 1 1 -14 85  6  o 40.729  4.6332  933.806    200.753  1116.53    277.070  731.865    291.279  44.075  5.9566  34.790  7.9092  9.285053       9.901329  
1 1 1 -14 85  7  o 20.828  7.0780  238.063    190.759  195.276    266.209  283.220    273.485  21.142  8.1761  23.223  8.4266  -2.080603      11.74120  
1 1 1 -14 85  8  o 18.160  6.9384  142.669    190.121  -80.4651   258.668  404.847    280.387  16.070  7.1997  26.214  8.5740  -10.14393      11.19591  
1 1 1 -14 85  9  o 30.019  6.5371  534.189    206.526  719.938    289.164  340.776    295.069  34.405  7.9233  24.770  8.7808  9.635603       11.82717  
1 1 1 -14 85  10 o 24.216  8.4519  330.026    272.615  322.672    387.788  337.212    383.322  25.536  9.8701  25.736  9.8475  -0.1992378     13.94246  
1 1 1 -14 85  11 o 14.667  6.7022  -125.3078  237.724  -342.6900  305.949  205.889    377.642  14.631  6.9736  23.329  9.5007  -8.698045      11.78532  
1 1 1 -14 85  12 o 31.297  7.4758  597.586    249.938  505.103    412.909  651.067    313.996  28.934  10.373  32.185  8.7689  -3.251514      13.58302  
1 1 1 -14 85  13 o 13.499  6.4741  -339.2271  272.556  181.052    371.342  -946.8521  401.304  22.639  9.3431  13.522  6.7470  9.117308       11.52457  
1 1 1 -14 85  14 o 74.646  4.8092  3153.33    386.750  2973.63    514.471  3386.84    586.468  71.009  6.7713  75.351  7.2765  -4.341591      9.939691  
1 1 1 -14 85  15 o 22.123  8.6787  231.374    303.291  552.611    412.032  -148.5042  448.065  29.382  10.380  20.007  9.1646  9.374649       13.84713  
1 1 1 -14 85  16 o 15.231  7.0097  -144.7598  266.371  -287.1687  400.864  -32.1609   356.448  17.596  8.2645  19.128  8.5192  -1.532270      11.86925  
1 1 1 -14 85  17 o 28.246  8.9431  509.837    306.701  254.038    479.274  687.236    399.125  25.034  10.495  32.010  10.209  -6.976118      14.64149  
1 1 1 -14 86  1  o 24.047  5.9880  339.587    155.363  305.366    214.966  377.009    224.796  23.103  7.5050  25.249  7.5987  -2.146412      10.68016  
1 1 1 -14 86  2  o 80.533  3.0923  3554.57    269.726  3453.83    380.917  3655.87    381.987  78.751  4.4844  81.086  4.3655  -2.335228      6.258404  
1 1 1 -14 86  3  f 40.675  4.3811  927.519    189.966  798.394    272.393  1049.79    265.062  36.713  7.1072  42.756  5.8793  -6.043747      9.223731  
1 1 1 -14 86  4  o 61.311  3.5182  2074.44    232.649  2151.96    319.539  1987.00    339.388  61.960  4.7989  59.284  5.3429  2.675728       7.181684  
1 1 1 -14 86  5  o 15.793  6.5324  53.259     182.115  26.076     245.895  86.285     271.036  17.347  7.4049  19.135  7.9464  -1.788078      10.86172  
1 1 1 -14 86  6  o 16.853  6.6373  103.945    178.042  79.759     243.891  131.539    260.510  18.258  7.5564  19.707  7.9391  -1.449345      10.96032  
1 1 1 -14 86  7  o 20.776  7.1244  235.563    193.288  373.973    270.108  90.299     276.714  25.362  8.4212  19.328  8.0281  6.033516       11.63475  
1 1 1 -14 86  8  o 29.349  6.4511  510.145    199.477  423.516    275.448  605.683    289.267  26.626  8.4800  31.396  8.3584  -4.770454      11.90683  
1 1 1 -14 86  9  o 35.094  7.6347  745.536    281.942  829.316    400.174  662.958    397.293  36.014  9.9357  32.351  10.171  3.662457       14.21836  
1 1 1 -14 86  10 f 23.428  8.4573  297.346    274.963  284.552    393.953  309.500    383.953  24.909  9.8531  25.190  9.7974  -0.2809753     13.89505  
1 1 1 -14 86  11 o 47.983  5.2621  1313.95    268.987  1641.22    453.714  1136.58    334.017  51.850  8.3637  43.567  7.3393  8.282528       11.12731  
1 1 1 -14 86  12 o 19.390  7.8324  133.638    254.279  29.814     395.275  206.937    332.124  21.030  9.1824  22.383  8.9829  -1.353760      12.84557  
1 1 1 -14 86  13 o 29.954  8.8011  567.762    304.404  506.418    421.499  634.635    440.086  28.775  10.458  31.261  10.748  -2.486414      14.99671  
1 1 1 -14 86  14 o 55.124  6.0471  1771.99    355.109  1584.69    491.169  1977.11    514.008  49.666  9.4764  56.244  8.7199  -6.578312      12.87789  
1 1 1 -14 86  15 o 26.598  8.5596  440.584    280.089  448.866    354.345  426.793    457.259  27.057  9.6192  27.412  10.683  -0.3551807     14.37582  
1 1 1 -14 86  16 o 21.052  8.5707  172.077    307.196  375.420    416.453  -70.6312   454.982  26.134  10.193  20.876  9.4335  5.257902       13.88819  
1 1 1 -14 87  1  o 82.431  3.0564  3724.12    272.881  3581.40    384.931  3868.31    386.902  80.190  4.4494  83.426  4.2964  -3.236076      6.185184  
1 1 1 -14 87  2  o 52.413  3.6668  1520.47    206.846  1470.11    298.883  1566.76    286.557  50.852  5.5149  52.697  5.0837  -1.844944      7.500549  
1 1 1 -14 87  3  o 40.536  4.5912  924.761    198.018  543.217    274.921  1336.11    285.456  29.874  8.2325  48.440  5.5405  -18.56566      9.923313  
1 1 1 -14 87  4  o 38.426  8.0569  893.578    324.610  831.147    445.321  964.360    474.172  36.010  10.663  38.609  10.875  -2.599613      15.23059  
1 1 1 -14 87  5  o 35.379  5.0396  713.047    187.656  693.753    255.268  735.736    276.813  34.113  7.1381  34.997  7.5263  -0.8843231     10.37292  
1 1 1 -14 87  6  o 71.835  3.4378  2839.13    267.478  2763.35    374.852  2917.74    381.786  70.117  4.9681  72.083  4.9195  -1.965942      6.991672  
1 1 1 -14 87  7  o 74.741  3.4902  3076.20    282.538  3303.12    400.033  2850.32    399.108  76.728  4.8384  71.050  5.2229  5.678452       7.119599  
1 1 1 -14 87  8  o 28.878  7.6647  507.077    243.721  830.168    389.041  298.366    312.684  36.102  9.7294  24.011  8.9584  12.09127       13.22552  
1 1 1 -14 87  9  o 56.634  5.4077  1826.15    327.685  2282.64    468.061  1387.33    458.908  62.363  7.0536  47.096  9.3264  15.26662       11.69336  
1 1 1 -14 87  10 o 32.863  6.8286  646.270    235.123  1004.45    426.902  490.306    281.700  39.421  9.9868  28.213  8.5098  11.20820       13.12074  
1 1 1 -14 87  11 o 33.301  7.7358  680.913    273.685  646.069    426.516  705.302    356.836  31.676  10.585  33.173  9.4658  -1.497149      14.19973  
1 1 1 -14 87  12 o 55.002  5.4649  1735.66    321.252  2075.80    485.667  1471.07    428.351  58.558  7.8554  48.806  8.4067  9.752865       11.50563  
1 1 1 -14 87  13 o 16.578  7.3337  -33.8021   259.789  44.607     402.711  -89.6901   339.993  21.246  9.2729  18.121  8.1748  3.125397       12.36181  
1 1 1 -14 87  14 o 26.441  8.6198  432.849    283.477  -87.9855   426.806  843.968    379.197  20.170  9.1237  35.852  9.5817  -15.68190      13.23065  
1 1 1 -14 87  15 f 19.982  8.1292  146.597    276.122  105.552    419.239  178.043    366.955  22.240  9.5846  22.307  9.2535  -0.6668282E-01 13.32264  
1 1 1 -14 88  1  o 50.090  4.7238  1410.30    253.254  1739.32    495.861  1294.18    294.571  53.442  8.8781  47.509  5.8481  5.933277       10.63108  
1 1 1 -14 88  2  o 66.936  3.4217  2470.29    247.238  2592.39    342.269  2337.07    357.523  68.060  4.6713  64.372  5.1716  3.688667       6.968951  
1 1 1 -14 88  3  o 31.642  5.5187  578.604    182.259  721.133    262.454  445.848    253.295  34.755  7.2086  27.203  8.0385  7.551598       10.79726  
1 1 1 -14 88  4  o 35.278  8.5298  765.942    322.333  881.459    440.978  633.414    472.333  37.014  10.509  32.017  11.128  4.996864       15.30607  
1 1 1 -14 88  5  o 17.009  6.8300  93.838     192.130  128.363    262.302  53.873     282.214  19.649  7.9486  18.827  7.9814  0.8217583      11.26420  
1 1 1 -14 88  6  o 23.892  7.4263  336.058    212.490  177.376    329.570  448.954    277.985  22.026  8.9098  27.261  8.4974  -5.235006      12.31225  
1 1 1 -14 88  7  o 51.088  5.6121  1492.28    305.420  2147.50    449.583  930.747    416.203  60.577  6.9800  38.125  9.9672  22.45207       12.16817  
1 1 1 -14 88  8  o 20.870  8.1329  189.191    264.963  229.709    396.035  156.359    356.505  24.054  9.7542  22.158  9.1504  1.896395       13.37434  
1 1 1 -14 88  9  o 40.569  5.9787  957.019    254.834  1125.78    426.080  863.032    317.974  42.046  9.5709  37.491  8.0695  4.555126       12.51880  
1 1 1 -14 88  10 o 54.120  5.8020  1687.59    334.793  1697.20    481.347  1678.59    465.966  52.356  8.8005  52.258  8.5266  0.9845734E-01  12.25361  
1 1 1 -14 88  11 o 38.249  7.1463  881.121    285.166  822.000    377.868  959.340    434.634  35.645  9.5813  38.115  10.289  -2.470482      14.05905  
1 1 1 -14 88  12 o 54.735  5.9780  1740.10    348.637  1684.70    492.008  1795.97    494.094  51.670  9.1251  53.628  8.8126  -1.958027      12.68577  
1 1 1 -14 88  13 o 20.931  8.4770  169.829    298.713  117.228    417.291  225.110    427.791  22.428  9.6120  24.092  9.9924  -1.663767      13.86503  
1 1 1 -14 88  14 o 41.522  7.7246  1059.55    334.612  1515.37    466.951  578.433    479.734  48.743  9.1816  30.142  11.126  18.60138       14.42520  
1 1 1 -14 89  1  o 36.815  10.774  880.430    456.982  0.0000     0.0000   880.430    456.982  ?       ?       36.815  10.774  0.000000       10.77404  
1 1 1 -14 89  2  o 19.443  8.8689  -167.5780  413.898  0.0000     0.0000   -167.5780  413.898  ?       ?       19.443  8.8689  0.000000       8.868933  
1 1 1 -14 89  3  f 40.322  6.9000  959.900    290.507  0.0000     0.0000   959.900    290.507  ?       ?       40.322  6.9000  0.000000       6.899980  
1 1 1 -14 89  4  o 23.071  9.9967  64.134     461.059  0.0000     0.0000   64.134     461.059  ?       ?       23.071  9.9967  0.000000       9.996681  
1 1 1 -14 89  5  o 40.807  5.1552  948.747    222.764  802.444    337.132  1062.12    296.784  35.945  8.7433  42.554  6.6573  -6.609272      10.98937  
1 1 1 -14 89  6  o 43.642  6.2028  1106.61    284.948  1437.27    423.566  833.255    385.125  48.628  8.3423  36.186  9.6495  12.44221       12.75566  
1 1 1 -14 89  7  o 23.840  8.1701  324.628    254.191  285.701    365.150  361.227    354.066  24.483  9.5455  25.754  9.5478  -1.270708      13.50101  
1 1 1 -14 89  8  o 28.918  8.4288  517.107    280.193  64.695     414.570  897.547    380.166  21.980  9.5017  37.559  9.3747  -15.57897      13.34789  
1 1 1 -14 89  9  o 57.582  5.4541  1895.26    336.098  2032.17    481.258  1764.92    469.586  58.092  7.8498  53.753  8.3357  4.339039       11.45005  
1 1 1 -14 89  10 o 20.909  8.3028  181.418    280.745  530.273    404.079  -144.1232  390.344  29.257  10.286  18.891  8.6154  10.36615       13.41708  
1 1 1 -14 89  11 o 28.684  8.8344  516.463    301.491  391.103    434.241  633.132    418.918  26.875  10.429  31.245  10.490  -4.369560      14.79144  
1 1 1 -14 89  12 o 33.228  8.6531  701.949    314.496  778.591    447.514  627.163    442.064  34.001  10.807  31.028  10.767  2.972513       15.25463  
1 1 1 -14 89  13 o 19.637  8.2748  92.119     300.419  165.052    421.821  17.047     427.961  23.172  9.7868  21.409  9.4446  1.762482       13.60080  
1 1 1 -14 90  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 90  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 90  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 90  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 90  5  o 19.885  8.4180  74.414     313.237  0.0000     0.0000   74.414     313.237  ?       ?       19.885  8.4180  0.000000       8.418015  
1 1 1 -14 90  6  o 33.399  7.5410  678.127    266.333  894.995    352.608  390.049    406.396  37.861  8.7708  26.845  10.171  11.01578       13.43040  
1 1 1 -14 90  7  o 39.269  6.7209  913.262    275.575  867.560    388.668  959.462    390.785  36.774  9.6404  38.838  9.3928  -2.063839      13.45963  
1 1 1 -14 90  8  o 18.655  7.8250  76.163     266.674  101.821    399.567  55.555     358.100  22.114  9.4396  20.583  8.8642  1.531811       12.94917  
1 1 1 -14 90  9  o 49.066  6.1585  1402.45    320.076  1179.63    458.778  1613.78    446.773  42.529  10.108  51.293  8.3275  -8.764126      13.09692  
1 1 1 -14 90  10 o 53.896  5.4798  1667.87    315.435  1458.35    481.852  1824.98    417.272  47.666  9.6640  55.368  7.1233  -7.701939      12.00563  
1 1 1 -14 90  11 o 67.116  5.0391  2560.79    363.637  2155.98    552.108  2870.93    483.261  58.683  8.9714  70.064  6.4403  -11.38115      11.04370  
1 1 1 -14 90  12 o 66.716  5.0939  2533.95    365.303  2563.73    553.550  2510.98    486.208  64.848  8.0547  65.034  7.0136  -0.1863327     10.68026  
1 1 1 -14 90  13 o 59.393  5.1509  2014.10    328.069  1920.81    464.884  2106.66    463.040  56.159  7.8580  59.218  7.3794  -3.058491      10.77981  
1 1 1 -14 91  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 91  7  o 20.867  8.8478  93.227     346.899  0.0000     0.0000   93.227     346.899  ?       ?       20.867  8.8478  0.000000       8.847782  
1 1 1 -14 91  8  f 13.188  6.3104  -310.3041  255.646  -121.2518  383.795  -461.0829  342.751  18.983  8.6130  14.740  7.1176  4.242822       11.17338  
1 1 1 -14 91  9  o 13.893  6.5865  -272.0445  265.684  -106.8086  389.314  -416.0803  363.482  19.235  8.7059  15.662  7.5022  3.572428       11.49243  
1 1 1 -14 91  10 o 67.199  5.1950  2572.57    375.176  2612.26    537.295  2534.81    524.107  65.870  7.6750  64.944  7.5943  0.9255676      10.79718  
1 1 1 -14 91  11 o 49.408  6.5930  1440.97    344.018  1386.79    499.359  1489.92    474.614  45.885  10.300  48.322  9.4068  -2.436920      13.94942  
1 1 1 -14 91  12 o 60.054  5.3956  2067.10    347.212  1633.61    467.936  2598.16    517.925  51.118  8.7674  65.875  7.3861  -14.75773      11.46393  
1 1 1 -14 92  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 92  10 o 33.671  10.552  751.970    428.010  0.0000     0.0000   751.970    428.010  ?       ?       33.671  10.552  0.000000       10.55190  
1 1 1 -14 93  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 93  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 94  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -14 95  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 0   1  o 175.614 5.0071  16747.39   950.644  16747.39   950.644  16747.39   950.644  175.614 5.0071  175.614 5.0071  -0.000000      0.000000  
1 1 1 -13 0   2  o 255.461 6.5633  35430.71   1813.29  35430.71   1813.29  35430.71   1813.29  255.461 6.5633  255.461 6.5633  -0.000000      0.000000  
1 1 1 -13 0   3  o 232.629 6.0072  29378.82   1511.30  29378.82   1511.30  29378.82   1511.30  232.629 6.0072  232.629 6.0072  0.000000       0.000000  
1 1 1 -13 0   4  o 286.221 7.1933  44479.64   2226.78  44479.64   2226.78  44479.64   2226.78  286.221 7.1933  286.221 7.1933  0.000000       0.000000  
1 1 1 -13 0   5  o 187.729 5.2331  19137.25   1062.17  19137.25   1062.17  19137.25   1062.17  187.729 5.2331  187.729 5.2331  -0.000000      0.000000  
1 1 1 -13 0   6  o 355.916 8.7100  68803.65   3353.11  68803.65   3353.11  68803.65   3353.11  355.916 8.7100  355.916 8.7100  0.000000       0.000000  
1 1 1 -13 0   7  o 631.131 21.109  218015.80  14393.38 218015.80  14393.38 218015.80  14393.38 631.131 21.109  631.131 21.109  -0.000000      0.000000  
1 1 1 -13 0   8  o 309.040 10.927  52026.89   3647.03  52026.89   3647.03  52026.89   3647.03  309.040 10.927  309.040 10.927  -0.000000      0.000000  
1 1 1 -13 0   9  o 350.962 8.5802  66925.73   3257.17  66925.73   3257.17  66925.73   3257.17  350.962 8.5802  350.962 8.5802  -0.000000      0.000000  
1 1 1 -13 0   10 o 225.916 5.9914  27721.04   1463.70  27721.04   1463.70  27721.04   1463.70  225.916 5.9914  225.916 5.9914  0.000000       0.000000  
1 1 1 -13 0   11 o 19.563  8.5370  297.359    187.990  297.359    187.990  297.359    187.990  19.563  8.5370  19.563  8.5370  0.000000       0.000000  
1 1 1 -13 0   12 o 563.064 13.327  172864.09  8117.00  172864.09  8117.00  172864.09  8117.00  563.064 13.327  563.064 13.327  -0.000000      0.000000  
1 1 1 -13 0   13 o 16.030  8.5183  200.351    199.674  200.351    199.674  200.351    199.674  16.030  8.5183  16.030  8.5183  -0.000000      0.000000  
1 1 1 -13 0   14 o 135.852 4.5884  10036.39   673.395  10036.39   673.395  10036.39   673.395  135.852 4.5884  135.852 4.5884  0.000000       0.000000  
1 1 1 -13 0   15 o 173.753 5.0628  16407.46   950.947  16407.46   950.947  16407.46   950.947  173.753 5.0628  173.753 5.0628  -0.000000      0.000000  
1 1 1 -13 0   16 o 147.893 6.9368  11947.03   1105.58  11947.03   1105.58  11947.03   1105.58  147.893 6.9368  147.893 6.9368  0.000000       0.000000  
1 1 1 -13 0   17 o 179.452 5.1687  17504.49   1002.73  17504.49   1002.73  17504.49   1002.73  179.452 5.1687  179.452 5.1687  -0.000000      0.000000  
1 1 1 -13 0   18 o 129.610 4.6702  9143.28    653.674  9143.28    653.674  9143.28    653.674  129.610 4.6702  129.610 4.6702  -0.000000      0.000000  
1 1 1 -13 0   19 o 326.670 8.1107  58126.95   2865.71  58126.95   2865.71  58126.95   2865.71  326.670 8.1107  326.670 8.1107  0.000000       0.000000  
1 1 1 -13 0   20 o 225.845 6.0565  27756.54   1479.08  27756.54   1479.08  27756.54   1479.08  225.845 6.0565  225.845 6.0565  -0.000000      0.000000  
1 1 1 -13 0   21 o 10.367  7.1467  -202.1336  267.044  -202.1336  267.044  -202.1336  267.044  10.367  7.1467  10.367  7.1467  0.000000       0.000000  
1 1 1 -13 0   22 o 52.491  2.8196  1506.51    159.247  1506.51    159.247  1506.51    159.247  52.491  2.8196  52.491  2.8196  -0.000000      0.000000  
1 1 1 -13 0   23 o 35.669  8.8391  810.541    295.558  810.541    295.558  810.541    295.558  35.669  8.8391  35.669  8.8391  -0.000000      0.000000  
1 1 1 -13 0   24 f 57.627  2.7658  1813.91    171.723  1813.91    171.723  1813.91    171.723  57.627  2.7658  57.627  2.7658  0.000000       0.000000  
1 1 1 -13 0   25 o 96.795  4.7197  5140.79    492.124  5140.79    492.124  5140.79    492.124  96.795  4.7197  96.795  4.7197  0.000000       0.000000  
1 1 1 -13 0   26 o 37.441  10.416  936.196    365.417  936.196    365.417  936.196    365.417  37.441  10.416  37.441  10.416  -0.000000      0.000000  
1 1 1 -13 0   27 o 34.533  2.3266  655.974    86.115   655.974    86.115   655.974    86.115   34.533  2.3266  34.533  2.3266  -0.000000      0.000000  
1 1 1 -13 0   28 o 55.563  6.5777  1774.59    381.252  1774.59    381.252  1774.59    381.252  55.563  6.5777  55.563  6.5777  -0.000000      0.000000  
1 1 1 -13 0   29 o 14.654  9.3608  50.044     331.285  50.044     331.285  50.044     331.285  14.654  9.3608  14.654  9.3608  -0.000000      0.000000  
1 1 1 -13 0   30 o 56.289  7.2092  1856.44    419.786  1856.44    419.786  1856.44    419.786  56.289  7.2092  56.289  7.2092  -0.000000      0.000000  
1 1 1 -13 0   31 o 23.439  11.929  498.998    380.087  498.998    380.087  498.998    380.087  23.439  11.929  23.439  11.929  -0.000000      0.000000  
1 1 1 -13 0   32 o 15.433  10.838  -458.8815  694.966  -458.8815  694.966  -458.8815  694.966  15.433  10.838  15.433  10.838  -0.000000      0.000000  
1 1 1 -13 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 1   1  o 500.010 8.3438  135626.30  4518.69  138572.00  6390.46  132680.70  6390.34  504.994 11.684  494.106 11.941  10.88843       16.70595  
1 1 1 -13 1   2  o 644.329 10.554  225452.59  7365.42  226494.50  10416.30 224410.59  10416.26 644.930 14.912  641.940 14.981  2.990173       21.13763  
1 1 1 -13 1   3  o 546.673 9.0401  162180.80  5352.66  157409.30  7569.70  166952.59  7569.90  537.976 12.991  554.112 12.613  -16.13617      18.10687  
1 1 1 -13 1   4  o 297.784 5.2058  48056.92   1679.03  48822.97   2374.74  47291.17   2374.26  300.043 7.3074  295.292 7.4235  4.751068       10.41661  
1 1 1 -13 1   5  o 476.749 7.9833  123310.90  4122.31  121490.90  5829.88  125130.90  5829.78  472.777 11.385  479.833 11.217  -7.055786      15.98274  
1 1 1 -13 1   6  o 111.621 2.8009  6748.92    338.618  6328.27    478.059  7172.47    479.701  108.072 4.0841  115.058 3.8493  -6.986168      5.612245  
1 1 1 -13 1   7  o 140.766 4.4266  10737.84   674.905  10407.57   953.209  11069.85   955.715  138.537 6.3526  142.882 6.1756  -4.345154      8.859690  
1 1 1 -13 1   8  o 292.942 10.398  46656.68   3299.19  46656.68   3299.19  0.0000     0.0000   292.942 10.398  ?       ?       0.000000       10.39811  
1 1 1 -13 1   9  o 225.663 4.2316  27598.13   1034.27  27000.49   1462.51  28196.04   1462.85  223.120 6.0519  228.013 5.9234  -4.893463      8.468270  
1 1 1 -13 1   10 o 335.677 5.8303  61118.41   2119.75  60935.99   2997.70  61300.86   2997.86  334.908 8.2640  335.912 8.2398  -1.004303      11.66997  
1 1 1 -13 1   11 o 343.039 5.9539  63846.66   2212.17  64406.37   3128.48  63286.94   3128.49  344.224 8.3912  341.208 8.4654  3.015717       11.91949  
1 1 1 -13 1   12 o 99.092  2.8436  5320.07    305.192  5538.45    439.648  5116.97    423.990  101.081 4.0157  97.159  4.0291  3.922569       5.688528  
1 1 1 -13 1   13 o 215.981 4.0949  25289.51   957.929  26138.58   1354.99  24441.12   1354.44  219.465 5.7003  212.204 5.8930  7.261017       8.198854  
1 1 1 -13 1   14 o 12.970  5.5617  -9.9119    139.852  -7.9269    198.123  -11.8834   197.442  15.548  6.6421  15.444  6.6151  0.1036301      9.374329  
1 1 1 -13 1   15 f 344.960 5.9613  64621.98   2227.32  65912.38   3151.22  63333.73   3148.60  347.921 8.3624  341.011 8.5247  6.909912       11.94149  
1 1 1 -13 1   16 o 257.235 4.7115  35902.23   1312.68  35961.72   1856.49  35842.75   1856.32  257.206 6.6641  256.778 6.6746  0.4273071      9.431884  
1 1 1 -13 1   17 o 80.060  3.1229  3474.27    270.796  3477.48    383.359  3471.08    382.570  79.937  4.4454  79.863  4.4403  0.7337189E-01  6.283137  
1 1 1 -13 1   18 o 93.406  2.8638  4728.96    289.727  4766.92    386.329  4680.17    437.989  93.749  3.8047  92.870  4.3543  0.8790207      5.782367  
1 1 1 -13 1   19 o 92.773  2.9350  4665.94    294.918  4550.74    391.729  4816.68    448.084  91.582  3.9492  94.199  4.3918  -2.616898      5.906242  
1 1 1 -13 1   20 o 138.442 3.2988  10396.23   494.648  10717.74   707.453  10088.71   691.884  140.455 4.6504  136.268 4.6878  4.187500       6.603155  
1 1 1 -13 1   21 o 192.893 4.0741  20213.43   851.173  20250.06   1135.40  20166.42   1286.13  192.831 5.4363  192.277 6.1757  0.5545349      8.227534  
1 1 1 -13 1   22 o 39.600  4.9222  867.402    206.561  917.443    284.261  811.415    300.673  40.403  6.7328  37.775  7.6119  2.627586       10.16228  
1 1 1 -13 1   23 o 83.745  3.2297  3811.73    292.953  3782.72    406.332  3843.13    422.752  83.162  4.5282  83.797  4.6765  -0.6359100     6.509555  
1 1 1 -13 1   24 o 33.911  6.1559  652.082    217.776  777.856    314.818  536.670    301.572  36.673  8.1383  30.554  8.6962  6.118969       11.91036  
1 1 1 -13 1   25 o 73.532  3.5747  2948.75    284.698  3108.25    406.683  2795.45    398.684  75.078  5.0303  71.136  5.2108  3.942223       7.242654  
1 1 1 -13 1   26 o 63.567  4.1897  2223.76    286.846  2042.47    408.391  2400.28    402.986  60.283  6.3503  65.611  5.7282  -5.328121      8.552087  
1 1 1 -13 1   27 o 7.9454  2.6648  32.215     27.035   3.2857     317.557  32.427     27.134   19.384  8.3477  7.9672  2.6696  11.41691       8.764213  
1 1 1 -13 1   28 o 21.353  7.7759  224.363    233.182  228.963    331.564  219.861    328.003  23.376  9.1009  23.134  9.0394  0.2417583      12.82720  
1 1 1 -13 1   29 o 75.938  3.8798  3187.99    318.047  3137.69    438.295  3243.92    462.232  74.596  5.4628  75.736  5.6762  -1.139908      7.877907  
1 1 1 -13 1   30 o 48.935  5.2768  1361.72    275.257  1304.18    377.513  1427.03    402.203  46.658  7.7416  48.764  7.8842  -2.105858      11.04955  
1 1 1 -13 1   31 o 29.249  8.0031  537.500    260.894  551.510    357.681  521.573    381.377  29.271  9.6893  28.669  9.9973  0.6018028      13.92220  
1 1 1 -13 1   32 o 32.885  9.0188  743.123    330.871  591.502    372.102  1315.82    723.175  28.961  9.8853  38.063  13.719  -9.102207      16.90978  
1 1 1 -13 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 2   1  o 270.332 4.8357  39599.27   1415.90  40352.19   2002.28  38846.20   2002.47  272.814 6.7762  267.669 6.9072  5.145203       9.676064  
1 1 1 -13 2   2  o 410.897 6.9377  91543.47   3087.57  91190.48   4366.47  91896.46   4366.49  409.856 9.8362  411.444 9.7983  -1.587280      13.88376  
1 1 1 -13 2   3  o 442.715 7.4055  106291.00  3550.98  107729.70  5021.71  104852.10  5021.97  445.397 10.410  439.391 10.552  6.005585       14.82275  
1 1 1 -13 2   4  o 434.261 7.2994  102272.40  3433.28  100679.00  4855.26  103866.00  4855.53  430.548 10.412  437.329 10.251  -6.780731      14.61102  
1 1 1 -13 2   5  f 608.365 10.024  201004.00  6605.19  204061.30  9341.51  197947.30  9340.80  612.126 14.090  602.834 14.306  9.292114       20.07944  
1 1 1 -13 2   6  o 479.419 9.2738  124797.50  4815.52  121415.70  8339.41  126489.20  5898.24  471.589 16.327  482.354 11.290  -10.76563      19.85005  
1 1 1 -13 2   7  o 662.158 12.605  238694.09  9039.87  233361.50  15655.98 241361.20  11072.07 651.148 22.199  664.999 15.372  -13.85114      27.00176  
1 1 1 -13 2   8  f 425.999 10.234  98654.92   4721.78  98654.92   4721.78  0.0000     0.0000   425.999 10.234  ?       ?       0.000000       10.23355  
1 1 1 -13 2   9  o 117.069 3.4438  7425.74    436.670  7122.72    753.913  7578.71    535.672  114.434 6.1048  118.255 4.1822  -3.821648      7.399950  
1 1 1 -13 2   10 o 180.296 3.7042  17615.28   723.355  17708.51   835.299  17335.71   1446.50  180.753 4.2666  178.683 7.4742  2.069992       8.606273  
1 1 1 -13 2   11 o 155.794 3.2811  13151.95   553.651  12705.68   640.721  14467.36   1100.02  153.111 3.8636  163.279 6.2201  -10.16800      7.322375  
1 1 1 -13 2   12 o 204.109 3.9380  22581.60   870.578  22054.44   1231.95  23107.45   1230.42  201.617 5.6415  206.383 5.5044  -4.766251      7.881934  
1 1 1 -13 2   13 o 360.320 6.1765  70483.30   2410.46  70054.04   3408.08  70912.97   3409.73  358.772 8.7704  360.975 8.7211  -2.202759      12.36845  
1 1 1 -13 2   14 o 387.970 6.6515  81772.29   2795.02  80641.27   3951.97  82904.23   3953.56  384.651 9.4858  390.044 9.3585  -5.392914      13.32524  
1 1 1 -13 2   15 f 183.655 3.7072  18285.66   737.424  17779.98   1042.90  18791.29   1042.85  180.995 5.3199  186.082 5.1742  -5.087387      7.421227  
1 1 1 -13 2   16 o 363.060 6.2167  71618.41   2444.61  71534.56   3457.30  71702.23   3457.09  362.248 8.8117  362.675 8.8008  -0.4272461     12.45396  
1 1 1 -13 2   17 o 390.738 6.7161  83029.03   2842.30  79796.03   4019.38  86262.80   4019.86  382.185 9.7099  397.500 9.3369  -15.31497      13.47073  
1 1 1 -13 2   18 o 224.899 4.2453  27443.82   1034.10  27696.50   1462.91  27191.48   1461.97  225.719 5.9838  223.644 6.0355  2.074707       8.499011  
1 1 1 -13 2   19 o 148.253 3.3662  11919.08   540.519  13416.41   766.775  10440.09   762.066  157.204 4.5033  138.629 5.0754  18.57515       6.785223  
1 1 1 -13 2   20 o 164.031 3.4944  14597.47   620.823  15286.74   879.259  13912.21   876.698  167.720 4.8402  159.976 5.0597  7.743622       7.001991  
1 1 1 -13 2   21 o 194.568 4.1080  20567.35   865.707  21743.39   1303.96  19640.41   1157.65  199.685 6.0290  189.867 5.6293  9.818451       8.248557  
1 1 1 -13 2   22 o 80.863  3.2749  3550.91    286.824  3725.64    398.096  3362.30    413.611  82.613  4.4657  78.404  4.8951  4.208878       6.626016  
1 1 1 -13 2   23 f 51.581  2.3332  1443.59    130.352  1415.39    142.650  1586.33    320.913  50.999  2.5910  53.547  5.6169  -2.548485      6.185710  
1 1 1 -13 2   24 o 45.452  4.8643  1143.18    235.748  1299.54    337.621  994.397    329.329  48.078  6.6626  41.715  7.5676  6.362682       10.08266  
1 1 1 -13 2   25 o 60.677  3.9865  2019.66    260.530  1866.57    376.392  2160.47    360.981  57.818  6.1026  62.444  5.3902  -4.625511      8.142233  
1 1 1 -13 2   26 o 64.217  2.7428  2244.73    190.768  2300.25    217.884  2062.41    394.862  64.960  3.0968  60.666  6.0917  4.294395       6.833617  
1 1 1 -13 2   27 f 72.661  2.8282  2877.81    222.581  2695.42    417.497  2950.24    263.088  69.461  5.5968  73.483  3.3056  -4.021355      6.500087  
1 1 1 -13 2   28 f 59.620  4.2947  1970.03    275.471  2040.69    391.386  1900.66    387.789  60.001  6.1076  57.807  6.2954  2.194248       8.771298  
1 1 1 -13 2   29 o 55.047  4.7190  1696.82    278.634  1568.81    382.880  1840.93    406.254  51.921  6.9858  56.407  6.7857  -4.486481      9.738933  
1 1 1 -13 2   30 o 24.869  8.1411  362.543    252.767  387.184    347.597  334.890    368.228  26.288  9.5059  25.506  9.6773  0.7813435      13.56517  
1 1 1 -13 2   31 o 30.982  7.6270  597.305    254.222  356.356    359.789  837.545    359.259  25.262  9.5703  35.892  9.1990  -10.62958      13.27455  
1 1 1 -13 2   32 o 25.070  8.9534  408.269    307.328  465.332    363.048  263.982    577.299  26.390  9.6885  25.101  11.025  1.288853       14.67707  
1 1 1 -13 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 3   1  o 97.526  2.6720  5151.75    282.248  4951.82    399.896  5350.21    398.426  95.605  3.8618  99.378  3.7016  -3.772926      5.349342  
1 1 1 -13 3   2  o 174.404 3.5033  16477.26   661.760  16243.00   936.054  16711.33   935.685  173.132 4.9918  175.612 4.9193  -2.479752      7.008383  
1 1 1 -13 3   3  o 325.295 5.6370  57352.18   1986.07  57281.66   2808.61  57422.71   2808.85  324.962 7.9797  325.362 7.9706  -0.4004517     11.27860  
1 1 1 -13 3   4  o 196.523 3.7857  20923.40   805.800  20648.20   1138.84  21199.31   1140.30  195.188 5.3869  197.777 5.3232  -2.589462      7.573363  
1 1 1 -13 3   5  o 422.557 7.1241  96836.44   3260.53  100099.90  4611.81  93574.99   4610.37  429.328 9.9177  415.059 10.255  14.26859       14.26660  
1 1 1 -13 3   6  o 565.461 10.806  173776.59  6617.94  167627.91  11460.91 176852.30  8105.89  553.274 19.125  569.960 13.131  -16.68646      23.19897  
1 1 1 -13 3   7  o 827.639 19.371  375584.69  17364.88 370283.19  24556.25 380887.41  24559.04 816.487 27.768  828.389 27.372  -11.90204      38.99082  
1 1 1 -13 3   8  o 349.501 8.5530  66328.83   3237.71  66328.83   3237.71  0.0000     0.0000   349.501 8.5530  ?       ?       0.000000       8.553036  
1 1 1 -13 3   9  o 48.801  3.8447  1298.54    201.574  1268.42    356.895  1312.64    244.265  47.829  7.1053  48.990  4.6596  -1.160927      8.496942  
1 1 1 -13 3   10 o 146.696 3.2457  11659.75   515.694  11590.38   597.427  11862.54   1021.43  146.246 3.7716  147.861 6.3780  -1.615189      7.409727  
1 1 1 -13 3   11 o 137.189 3.1280  10197.70   464.788  10690.45   538.922  8767.13    918.262  140.454 3.5426  126.909 6.7042  13.54518       7.582655  
1 1 1 -13 3   12 o 95.360  2.9255  4927.11    302.163  5458.29    436.393  4437.91    418.796  100.347 4.0152  90.477  4.2736  9.869972       5.863889  
1 1 1 -13 3   13 o 303.789 5.3718  50072.22   1767.50  48939.79   2499.77  51204.39   2499.49  300.040 7.6922  306.930 7.5187  -6.889557      10.75641  
1 1 1 -13 3   14 o 43.376  3.7608  1027.62    174.937  677.529    247.164  1379.03    247.632  34.716  6.8167  50.214  4.6044  -15.49831      8.226027  
1 1 1 -13 3   15 o 141.291 3.2091  10819.83   491.096  10402.12   694.756  11236.96   694.274  138.477 4.6322  143.935 4.4534  -5.458740      6.425730  
1 1 1 -13 3   16 o 283.156 5.0253  43513.75   1541.20  43092.36   2179.91  43934.88   2179.26  281.472 7.1504  284.222 7.0791  -2.750519      10.06195  
1 1 1 -13 3   17 o 111.908 3.1075  6788.14    376.651  6639.44    533.992  6935.37    531.347  110.623 4.4568  113.066 4.3388  -2.443840      6.219997  
1 1 1 -13 3   18 o 110.925 3.1070  6670.35    373.285  6924.45    515.620  6390.51    541.113  112.970 4.2140  108.507 4.6043  4.462730       6.241568  
1 1 1 -13 3   19 o 185.671 3.7329  18701.04   750.693  19057.41   1062.79  18346.21   1060.50  187.279 5.2395  183.740 5.3289  3.538239       7.473214  
1 1 1 -13 3   20 o 163.436 3.4884  14491.71   617.513  14379.84   874.133  14603.14   872.461  162.654 4.9618  163.917 4.9142  -1.263763      6.983480  
1 1 1 -13 3   21 o 169.587 3.5965  15613.41   660.615  15161.23   934.701  16064.71   933.801  166.894 5.1709  171.820 5.0178  -4.926285      7.205253  
1 1 1 -13 3   22 o 96.614  3.1104  5067.64    325.482  5327.41    462.109  4811.89    458.514  98.946  4.3120  94.017  4.5027  4.929459       6.234390  
1 1 1 -13 3   23 o 163.285 3.5075  14500.44   620.316  14672.03   878.518  14329.84   876.005  163.903 4.9487  161.968 4.9935  1.935028       7.030311  
1 1 1 -13 3   24 o 180.226 3.7661  17703.31   735.156  18068.94   1043.57  17343.09   1035.81  181.507 5.3083  177.794 5.3789  3.713043       7.557184  
1 1 1 -13 3   25 o 104.941 3.0507  5994.52    346.747  5808.86    505.449  6159.56    476.574  102.987 4.5313  106.147 4.1453  -3.160172      6.141328  
1 1 1 -13 3   26 o 49.662  4.9457  1370.74    262.487  1291.10    381.369  1442.44    361.826  47.339  7.7029  50.406  6.8011  -3.067432      10.27564  
1 1 1 -13 3   27 o 117.330 3.3722  7524.37    428.546  7701.08    610.040  7352.20    602.147  118.159 4.7667  115.430 4.8163  2.729393       6.776324  
1 1 1 -13 3   28 o 47.425  5.0851  1262.63    257.127  843.933    365.154  1674.42    362.130  37.265  9.1209  54.224  6.2824  -16.95874      11.07519  
1 1 1 -13 3   29 o 31.908  7.4514  609.712    252.849  625.049    347.509  592.457    368.586  31.855  9.4162  31.104  9.7992  0.7508888      13.59002  
1 1 1 -13 3   30 o 43.761  5.6387  1099.19    261.045  1372.32    371.590  833.064    366.804  48.088  7.3693  36.384  9.2790  11.70432       11.84930  
1 1 1 -13 3   31 o 24.587  8.0881  366.639    249.379  629.015    355.528  112.520    349.889  31.012  9.6005  20.970  8.8883  10.04158       13.08322  
1 1 1 -13 3   32 o 21.194  8.5448  219.926    302.026  231.451    357.141  190.987    565.915  22.166  9.1565  24.243  10.769  -2.077581      14.13574  
1 1 1 -13 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 4   1  o 330.416 5.6975  59171.90   2038.97  59868.30   2883.96  58475.91   2883.12  332.222 8.0148  328.330 8.1074  3.892212       11.40031  
1 1 1 -13 4   2  o 544.414 8.9978  160836.91  5305.59  161652.70  7503.27  160021.20  7503.21  545.240 12.706  542.470 12.770  2.769714       18.01420  
1 1 1 -13 4   3  o 440.161 7.4093  105070.40  3532.29  107136.70  4995.42  103004.10  4995.40  444.164 10.384  435.489 10.591  8.674957       14.83194  
1 1 1 -13 4   4  o 355.783 6.1048  68619.48   2352.47  68359.03   3326.26  68880.14   3327.54  354.927 8.6526  356.280 8.6231  -1.352692      12.21576  
1 1 1 -13 4   5  o 262.943 4.6977  37465.94   1337.89  40202.54   1893.31  34736.56   1890.81  272.302 6.4195  253.091 6.8976  19.21027       9.422693  
1 1 1 -13 4   6  o 67.230  3.0918  2448.46    225.139  2615.23    373.615  2353.38    282.113  69.285  5.0126  65.785  3.9781  3.499519       6.399285  
1 1 1 -13 4   7  o 335.253 6.6024  60956.33   2397.44  59834.96   2934.40  63207.59   4157.73  332.028 8.1597  340.914 11.260  -8.886749      13.90576  
1 1 1 -13 4   8  o 436.139 8.4968  103287.70  4013.77  103407.10  4916.30  103049.00  6950.77  436.100 10.408  434.466 14.771  1.634399       18.06968  
1 1 1 -13 4   9  o 532.181 10.274  154052.30  5922.11  148562.59  7252.83  165033.91  10258.09 521.972 12.829  548.632 17.263  -26.65973      21.50792  
1 1 1 -13 4   10 o 78.043  2.8023  3299.67    236.876  3592.36    274.570  2447.80    468.421  81.427  3.1132  66.844  6.5543  14.58335       7.256112  
1 1 1 -13 4   11 o 28.397  4.8466  449.522    143.719  333.725    169.102  750.742    272.737  24.352  6.3468  36.557  7.1442  -12.20530      9.556269  
1 1 1 -13 4   12 o 253.757 4.6174  34915.49   1269.06  34159.38   1796.17  35669.18   1793.29  250.831 6.6114  256.329 6.4593  -5.498093      9.243004  
1 1 1 -13 4   13 o 166.815 3.4653  15081.65   626.101  14401.29   884.441  15765.10   886.444  162.939 5.0116  170.492 4.8004  -7.552216      6.939713  
1 1 1 -13 4   14 o 202.589 3.9074  22250.82   857.379  23558.90   1213.33  20946.22   1211.71  208.357 5.3765  196.439 5.6951  11.91756       7.832035  
1 1 1 -13 4   15 o 270.720 4.8698  39763.99   1427.91  40898.49   2020.05  38631.01   2018.69  274.314 6.7990  266.573 6.9917  7.740295       9.752450  
1 1 1 -13 4   16 o 141.216 3.2211  10809.21   492.672  11826.21   698.094  9800.04    695.401  147.655 4.3651  134.391 4.7774  13.26424       6.471314  
1 1 1 -13 4   17 o 98.421  3.0644  5250.41    326.660  6280.42    457.748  4181.52    466.306  107.612 3.9273  87.633  4.9329  19.97874       6.305320  
1 1 1 -13 4   18 o 132.995 3.2681  9589.74    470.763  9603.01    668.022  9576.65    663.520  133.010 4.6370  132.829 4.6120  0.1810303      6.540041  
1 1 1 -13 4   19 o 135.155 3.2402  9905.13    474.322  9453.55    672.171  10353.02   669.421  131.945 4.7035  138.097 4.4755  -6.151993      6.492538  
1 1 1 -13 4   20 o 183.417 3.7948  18258.00   753.880  18070.40   1067.12  18444.91   1065.18  182.272 5.4053  184.160 5.3402  -1.888687      7.598373  
1 1 1 -13 4   21 o 81.493  3.2157  3603.61    283.837  3318.84    403.216  3883.33    399.620  77.966  4.7982  84.412  4.3860  -6.445503      6.500754  
1 1 1 -13 4   22 o 39.547  2.0890  850.273    89.162   684.633    286.131  868.087    93.834   34.614  7.8169  39.953  2.1766  -5.339161      8.114248  
1 1 1 -13 4   23 o 35.602  5.1640  706.783    193.314  513.582    275.334  894.615    271.482  29.968  8.2307  39.856  6.5140  -9.888226      10.49648  
1 1 1 -13 4   24 o 86.706  3.4267  4093.03    321.802  4034.80    465.217  4146.46    445.609  85.681  5.0352  86.932  4.7507  -1.251015      6.922558  
1 1 1 -13 4   25 o 102.718 3.1541  5745.33    350.905  5968.67    527.796  5568.40    469.767  104.357 4.6696  100.888 4.2990  3.468414       6.347165  
1 1 1 -13 4   26 o 84.578  3.6062  3908.66    330.352  4174.96    476.266  3661.74    458.610  86.892  5.0827  81.306  5.2356  5.586037       7.296926  
1 1 1 -13 4   27 o 101.443 3.3648  5624.53    369.702  5662.95    529.909  5588.10    516.042  101.298 4.8298  100.663 4.7331  0.6343842      6.762330  
1 1 1 -13 4   28 f 34.030  6.8325  677.156    243.080  653.295    347.237  700.087    340.400  32.814  9.3287  33.963  9.0789  -1.149200      13.01734  
1 1 1 -13 4   29 o 26.708  7.9995  424.842    249.570  573.209    344.069  260.114    362.545  30.631  9.4382  24.280  9.4989  6.350677       13.39065  
1 1 1 -13 4   30 o 24.884  8.0038  365.095    244.916  717.288    351.378  32.311     341.559  33.758  9.3089  19.998  8.6347  13.75982       12.69703  
1 1 1 -13 4   31 o 60.422  4.4632  2062.32    290.018  2424.51    415.305  1717.57    405.177  64.491  6.0150  53.403  7.1875  11.08758       9.372312  
1 1 1 -13 4   32 o 35.560  8.4158  842.610    319.093  751.545    380.349  1059.03    586.341  32.362  9.9153  35.776  12.400  -3.414227      15.87717  
1 1 1 -13 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 5   1  o 484.077 8.0173  127109.40  4203.50  132139.91  5945.24  122080.90  5944.06  493.191 11.130  473.987 11.578  19.20441       16.06017  
1 1 1 -13 5   2  o 130.878 2.9912  9278.40    424.012  9342.65    600.037  9214.32    599.251  131.316 4.2188  130.410 4.2425  0.9053040      5.983119  
1 1 1 -13 5   3  o 332.550 5.7511  59941.86   2071.47  60703.83   2929.32  59179.71   2929.67  334.516 8.0850  330.283 8.1896  4.233459       11.50811  
1 1 1 -13 5   4  o 593.923 9.8239  191532.91  6319.54  194644.09  8937.17  188421.59  8937.20  597.964 13.799  588.278 14.026  9.686218       19.67641  
1 1 1 -13 5   5  o 492.259 9.5110  131571.70  5070.98  136106.20  8782.41  129303.90  6210.94  499.425 16.236  487.663 11.759  11.76242       20.04677  
1 1 1 -13 5   6  o 159.986 3.8840  13867.75   673.028  13909.26   1159.69  13846.67   826.443  160.152 6.6856  159.845 4.7736  0.3065643      8.214883  
1 1 1 -13 5   7  o 238.650 5.0407  30869.77   1302.94  31836.66   1594.73  28928.39   2259.70  242.311 6.0764  230.805 9.0393  11.50652       10.89182  
1 1 1 -13 5   8  o 427.212 8.3559  99096.52   3866.43  101062.50  4736.01  95167.77   6695.07  431.164 10.141  417.499 14.806  13.66531       17.94598  
1 1 1 -13 5   9  o 259.051 5.3150  36385.35   1491.28  35681.25   1827.74  37787.55   2579.29  256.451 6.5802  263.700 9.0307  -7.249084      11.17373  
1 1 1 -13 5   10 o 176.710 3.5824  16921.13   685.657  17455.23   792.928  15338.02   1365.14  179.461 4.0794  168.067 7.4993  11.39380       8.537061  
1 1 1 -13 5   11 o 286.992 5.1145  44667.06   1589.80  44094.61   1835.30  46387.70   3181.85  285.078 5.9439  291.884 10.065  -6.805878      11.68881  
1 1 1 -13 5   12 o 114.382 3.0278  7089.05    375.105  6836.89    433.726  7837.37    747.161  112.317 3.5653  120.184 5.7398  -7.866257      6.756996  
1 1 1 -13 5   13 o 205.154 3.9232  22815.88   871.746  22527.86   1233.72  23103.08   1231.95  203.749 5.5905  206.340 5.5124  -2.590683      7.851116  
1 1 1 -13 5   14 o 151.324 3.2501  12410.47   532.697  13484.02   759.181  11369.29   747.645  157.682 4.4452  144.775 4.7680  12.90723       6.518708  
1 1 1 -13 5   15 o 222.805 4.1831  26920.80   1009.46  26365.40   1427.85  27475.80   1427.33  220.336 5.9831  224.941 5.8585  -4.605011      8.373734  
1 1 1 -13 5   16 o 101.127 3.0047  5542.53    329.104  4924.96    466.563  6154.10    464.291  95.280  4.5210  106.527 4.0240  -11.24738      6.052475  
1 1 1 -13 5   17 o 78.116  2.7186  3306.88    230.014  3556.82    376.841  3158.48    290.381  80.857  4.3186  76.325  3.5126  4.531441       5.566782  
1 1 1 -13 5   18 o 232.328 4.3402  29290.06   1092.16  29688.76   1545.66  28892.50   1543.43  233.674 6.1071  230.508 6.1820  3.166245       8.689873  
1 1 1 -13 5   19 o 214.849 4.1374  25050.42   962.778  25625.48   1363.12  24477.96   1360.03  217.082 5.7975  212.147 5.9189  4.934631       8.285189  
1 1 1 -13 5   20 o 148.856 3.3936  12020.50   547.144  11038.39   769.070  13027.03   778.574  142.503 4.9828  154.846 4.6422  -12.34317      6.810172  
1 1 1 -13 5   21 o 131.094 3.2368  9325.70    459.580  9085.91    669.068  9539.90    632.372  129.243 4.7796  132.476 4.4072  -3.233154      6.501406  
1 1 1 -13 5   22 o 88.671  3.1532  4269.00    302.835  4276.53    430.550  4261.63    426.034  88.517  4.5057  88.368  4.4657  0.1486664      6.343814  
1 1 1 -13 5   23 o 127.337 3.2043  8812.80    441.930  8833.81    626.878  8792.03    623.107  127.257 4.5481  126.959 4.5314  0.2979584      6.420183  
1 1 1 -13 5   24 o 34.051  6.4046  659.517    227.536  435.858    336.332  848.272    308.975  28.356  9.3961  38.422  7.6929  -10.06598      12.14360  
1 1 1 -13 5   25 o 68.675  3.7222  2581.10    275.836  2592.73    400.427  2570.61    380.516  68.426  5.4481  68.201  5.1902  0.2250900      7.524622  
1 1 1 -13 5   26 o 45.230  4.9807  1139.70    239.956  1527.75    352.484  804.553    327.581  52.030  6.3891  36.982  8.3730  15.04792       10.53228  
1 1 1 -13 5   27 o 31.530  7.0021  580.229    232.898  -60.2279   345.430  1114.02    315.355  19.291  8.4990  44.064  6.8285  -24.77300      10.90237  
1 1 1 -13 5   28 o 78.599  3.7013  3391.94    315.095  3390.95    453.576  3392.86    438.053  77.813  5.4155  77.926  5.2203  -0.1124649     7.521911  
1 1 1 -13 5   29 o 18.979  7.6026  122.507    237.415  197.814    342.467  52.826     329.424  22.807  9.1327  20.148  8.5849  2.658920       12.53423  
1 1 1 -13 5   30 o 89.100  3.6105  4379.70    348.430  4379.24    500.481  4380.12    485.374  88.047  5.2724  88.170  5.1045  -0.1226578     7.338490  
1 1 1 -13 5   31 o 64.694  4.3112  2356.92    300.358  2374.77    433.058  2340.38    416.942  63.532  6.3796  63.229  6.1667  0.3030891      8.872840  
1 1 1 -13 5   32 o 26.966  9.0758  492.396    313.617  488.249    376.401  501.811    567.144  26.838  9.8632  27.691  11.497  -0.8531399     15.14795  
1 1 1 -13 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 6   1  o 538.094 8.9301  157125.20  5204.56  156922.50  7360.36  157327.91  7360.36  537.194 12.650  537.890 12.634  -0.6962280     17.87852  
1 1 1 -13 6   2  o 283.501 4.9701  43553.88   1526.12  44869.95   2158.74  42238.98   2157.79  287.666 6.9285  279.094 7.1382  8.571716       9.947772  
1 1 1 -13 6   3  o 222.945 4.1465  26929.71   1001.26  27234.56   1416.34  26625.16   1415.65  224.153 5.8338  221.629 5.8974  2.524185       8.295335  
1 1 1 -13 6   4  o 440.381 7.3443  105182.70  3503.06  110633.10  4954.53  99734.20   4953.63  451.343 10.135  428.469 10.674  22.87430       14.71926  
1 1 1 -13 6   5  o 204.970 4.5229  22765.72   1004.10  23047.82   1732.36  22623.00   1232.19  206.117 7.7599  204.295 5.5687  1.821426       9.551225  
1 1 1 -13 6   6  o 307.383 7.6475  51261.68   2546.05  52812.59   3599.26  49708.35   3602.06  311.729 10.660  302.395 10.998  9.334686       15.31639  
1 1 1 -13 6   7  o 331.613 6.6455  59642.61   2386.87  60065.53   2922.99  58796.22   4135.09  332.664 8.1124  328.745 11.613  3.919159       14.16614  
1 1 1 -13 6   8  o 360.466 7.1635  70503.18   2796.78  68248.75   3425.44  75011.23   4843.88  354.467 8.9222  371.157 12.049  -16.68927      14.99312  
1 1 1 -13 6   9  o 291.162 7.3289  46014.88   2311.24  44195.33   3270.73  47829.67   3266.45  284.994 10.596  296.536 10.170  -11.54193      14.68694  
1 1 1 -13 6   10 o 466.134 7.8534  118017.60  3964.97  117010.10  4578.49  121039.10  7929.27  463.903 9.1122  470.031 15.575  -6.127777      18.04504  
1 1 1 -13 6   11 o 119.133 2.9813  7689.70    384.691  7397.54    445.264  8549.71    763.944  116.837 3.5186  125.542 5.6183  -8.704933      6.629145  
1 1 1 -13 6   12 o 117.639 3.0052  7498.45    382.913  7346.58    444.325  7936.78    754.846  116.430 3.5234  120.942 5.7625  -4.512360      6.754332  
1 1 1 -13 6   13 o 112.046 2.9459  6802.70    357.510  6652.23    508.037  6950.31    503.190  110.766 4.2346  113.225 4.1032  -2.458595      5.896461  
1 1 1 -13 6   14 o 123.655 3.0157  8286.11    403.903  7957.11    573.836  8609.14    568.609  121.132 4.3738  126.005 4.1663  -4.873283      6.040580  
1 1 1 -13 6   15 o 81.338  3.0334  3585.49    267.240  3025.48    386.267  4099.64    370.118  74.522  4.8113  86.954  3.9299  -12.43211      6.212288  
1 1 1 -13 6   16 o 298.864 5.2639  48486.56   1703.94  49335.97   2410.79  47638.63   2408.69  301.124 7.3917  295.875 7.5163  5.248688       10.54189  
1 1 1 -13 6   17 o 281.598 5.0418  43046.57   1537.74  43673.96   2177.81  42422.75   2171.58  283.310 7.0972  279.207 7.1809  4.103424       10.09634  
1 1 1 -13 6   18 o 81.253  3.1618  3579.20    278.258  2698.65    395.551  4441.87    391.513  70.295  5.2327  90.488  3.9947  -20.19257      6.583260  
1 1 1 -13 6   19 o 137.229 3.3300  10212.25   494.944  9480.44    709.122  10907.43   691.138  132.111 4.9558  141.742 4.5019  -9.631592      6.695279  
1 1 1 -13 6   20 o 210.353 4.1457  24025.11   944.536  25205.42   1436.80  23126.81   1253.45  215.121 6.1666  206.161 5.6135  8.960007       8.338908  
1 1 1 -13 6   21 o 182.933 3.7454  18172.30   742.106  17796.38   1056.18  18538.85   1042.93  180.766 5.3945  184.532 5.2181  -3.765762      7.505305  
1 1 1 -13 6   22 o 184.290 3.7446  18460.51   747.441  18036.00   1058.41  18882.83   1055.67  181.805 5.3750  186.059 5.2385  -4.254272      7.505516  
1 1 1 -13 6   23 f 62.523  3.5071  2132.82    236.536  2228.87    337.957  2040.59    331.172  63.693  4.9375  60.903  5.0665  2.789474       7.074469  
1 1 1 -13 6   24 o 78.751  3.5132  3377.55    299.664  2926.04    436.345  3780.59    412.257  72.784  5.5776  83.026  4.6024  -10.24265      7.231269  
1 1 1 -13 6   25 o 74.359  3.5977  3015.94    289.755  2952.09    421.454  3073.18    399.017  73.062  5.3633  74.663  4.9624  -1.600883      7.306880  
1 1 1 -13 6   26 o 39.503  5.6407  879.848    234.489  1008.91    347.131  771.525    318.015  41.631  7.9891  36.223  8.2856  5.407955       11.50986  
1 1 1 -13 6   27 o 47.141  5.0932  1242.43    255.919  1625.19    393.340  961.453    337.004  53.329  6.9772  40.475  7.9709  12.85309       10.59325  
1 1 1 -13 6   28 o 117.823 3.4078  7606.68    434.881  7536.33    626.423  7672.13    604.207  116.518 4.9637  117.689 4.7400  -1.171799      6.863379  
1 1 1 -13 6   29 o 36.948  6.5544  797.856    252.691  880.263    369.149  725.195    346.630  37.746  9.1292  34.241  9.1651  3.504539       12.93611  
1 1 1 -13 6   30 o 23.283  8.0572  303.944    247.495  490.946    363.535  142.394    337.891  28.564  9.7707  21.581  8.9098  6.983913       13.22315  
1 1 1 -13 6   31 o 43.801  2.2329  1051.69    105.580  921.756    396.603  1061.60    109.532  37.283  9.7212  43.990  2.3069  -6.706844      9.991199  
1 1 1 -13 6   32 o 17.063  7.7599  -72.9326   313.872  149.602    384.504  -517.3705  543.385  21.350  9.1901  18.418  8.9098  2.932537       12.80005  
1 1 1 -13 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 7   1  o 601.363 9.8682  196342.41  6427.55  200453.50  9090.04  192231.50  9089.83  606.886 13.829  594.246 14.123  12.63995       19.76590  
1 1 1 -13 7   2  o 558.812 9.2162  169487.20  5578.13  168330.50  7888.62  170644.00  7888.71  556.274 13.093  560.100 13.004  -3.826599      18.45339  
1 1 1 -13 7   3  o 192.161 3.7149  20004.59   773.175  20414.35   1092.86  19593.96   1094.01  194.084 5.1988  190.141 5.3122  3.942841       7.432840  
1 1 1 -13 7   4  o 126.760 3.3795  8704.53    463.987  8332.71    793.479  8897.72    571.966  123.983 5.9089  128.149 4.1208  -4.166618      7.203886  
1 1 1 -13 7   5  o 152.511 3.6858  12601.30   608.838  11203.82   1041.15  13327.53   750.544  143.740 6.6875  156.830 4.4185  -13.09055      8.015381  
1 1 1 -13 7   6  o 82.683  3.0560  3703.41    273.681  3607.06    329.880  3916.18    490.203  81.595  3.7327  84.830  5.3629  -3.235390      6.534030  
1 1 1 -13 7   7  o 178.590 3.5310  17279.97   683.010  16875.84   964.552  17686.40   967.299  176.450 5.0470  180.641 4.9439  -4.190994      7.065039  
1 1 1 -13 7   8  o 594.761 9.8010  192272.09  6313.68  191734.09  7290.28  193886.30  12628.01 593.562 11.340  593.993 19.628  -0.4318848     22.66856  
1 1 1 -13 7   9  o 178.266 5.0962  17229.00   983.971  16834.46   1396.34  17618.16   1386.80  176.109 7.3205  180.173 7.1065  -4.064545      10.20253  
1 1 1 -13 7   10 o 189.914 3.7265  19545.54   766.533  19368.64   886.081  20071.66   1528.09  189.031 4.3278  192.267 7.3379  -3.236526      8.519108  
1 1 1 -13 7   11 o 72.972  2.9369  2885.05    232.122  2677.49    265.248  3563.83    479.670  70.291  3.4840  80.869  5.5092  -10.57749      6.518392  
1 1 1 -13 7   12 o 188.381 3.7095  19233.96   756.883  19215.77   875.358  19287.83   1506.64  188.266 4.2928  188.417 7.3827  -0.1515503     8.540083  
1 1 1 -13 7   13 o 157.471 3.3974  13439.22   579.447  12998.10   824.336  13870.05   814.673  154.801 4.9166  159.919 4.7034  -5.118774      6.804012  
1 1 1 -13 7   14 o 136.587 3.1876  10110.63   471.562  9970.80    670.946  10247.14   662.905  135.587 4.5688  137.458 4.4526  -1.871262      6.379598  
1 1 1 -13 7   15 o 149.646 3.2942  12137.95   533.939  10568.12   752.415  13730.43   757.821  139.557 4.9778  159.107 4.3975  -19.54967      6.642004  
1 1 1 -13 7   16 o 72.382  3.1135  2839.65    244.093  2576.13    347.445  3096.46    342.996  68.746  4.6943  75.441  4.2146  -6.694633      6.308650  
1 1 1 -13 7   17 o 210.062 4.0712  23934.13   926.282  24056.13   1311.76  23812.80   1308.16  210.432 5.7554  209.364 5.7689  1.068481       8.148873  
1 1 1 -13 7   18 f 212.412 4.0751  24478.15   937.527  23848.99   1323.93  25110.98   1327.80  209.466 5.8355  214.955 5.7032  -5.488358      8.159642  
1 1 1 -13 7   19 o 29.444  6.5574  490.502    203.753  798.665    291.584  196.441    284.834  37.630  7.4179  22.469  8.5145  15.16051       11.29261  
1 1 1 -13 7   20 o 318.893 5.6379  55338.80   1947.29  54296.35   2754.68  56380.04   2753.09  315.079 8.0720  321.128 7.9154  -6.049530      11.30534  
1 1 1 -13 7   21 o 110.567 3.2555  6634.26    389.865  6224.20    554.725  7034.50    548.040  106.966 4.7881  113.750 4.4483  -6.784668      6.535506  
1 1 1 -13 7   22 o 85.758  3.2357  3993.92    300.547  3805.43    437.376  4162.56    413.689  83.426  4.8615  87.450  4.3676  -4.024727      6.535295  
1 1 1 -13 7   23 o 184.079 3.7542  18443.06   748.495  17744.16   1060.04  19138.01   1057.03  180.064 5.4353  187.079 5.2166  -7.015686      7.533677  
1 1 1 -13 7   24 o 97.370  3.1259  5157.52    329.658  5046.12    510.466  5237.23    431.768  95.870  4.9328  97.967  4.0691  -2.096870      6.394527  
1 1 1 -13 7   25 f 42.971  5.4089  1031.47    246.163  1396.78    355.384  694.543    341.299  49.731  6.7740  34.410  9.0402  15.32164       11.29661  
1 1 1 -13 7   26 o 62.583  3.9836  2152.85    268.622  2013.12    396.757  2271.11    365.005  59.877  6.2080  63.924  5.3202  -4.047279      8.175770  
1 1 1 -13 7   27 o 44.061  5.4346  1091.86    253.854  937.521    392.686  1202.67    332.726  39.492  9.3291  45.776  6.9274  -6.284557      11.61987  
1 1 1 -13 7   28 o 112.293 3.4644  6912.57    421.352  6948.11    622.781  6882.57    572.193  111.769 5.1445  111.462 4.7396  0.3062668      6.995012  
1 1 1 -13 7   29 o 78.821  3.7454  3423.00    319.753  3757.69    465.574  3124.18    439.914  81.743  5.2869  74.393  5.4987  7.350174       7.628013  
1 1 1 -13 7   30 o 20.782  7.9580  197.865    250.452  516.789    381.142  -44.4919   332.254  29.185  10.004  18.696  8.2810  10.48925       12.98701  
1 1 1 -13 7   31 o 45.268  5.8394  1199.13    279.629  1217.51    423.962  1184.98    372.019  43.296  9.3169  43.519  8.1932  -0.2221870     12.40700  
1 1 1 -13 7   32 o 24.749  9.0186  394.106    313.741  425.596    379.176  325.741    558.686  25.649  9.7989  25.537  11.035  0.1117802      14.75745  
1 1 1 -13 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 8   1  o 532.324 8.8565  153777.70  5106.30  145064.70  7220.83  162493.41  7221.98  516.422 12.910  546.694 12.197  -30.27185      17.75997  
1 1 1 -13 8   2  f 110.599 2.8172  6625.71    337.476  6808.11    476.065  6441.48    478.471  112.100 3.9210  109.038 4.0514  3.061684       5.638079  
1 1 1 -13 8   3  o 347.256 5.9731  65367.61   2246.57  68116.82   3177.59  62619.98   3176.68  354.325 8.2799  339.700 8.6339  14.62485       11.96251  
1 1 1 -13 8   4  o 337.773 6.5267  61860.64   2387.74  55824.06   4130.87  64889.51   2926.07  320.419 11.903  345.853 7.8113  -25.43344      14.23711  
1 1 1 -13 8   5  o 567.591 13.399  175404.80  8237.22  182560.00  11648.80 168248.59  11649.57 577.616 18.620  554.268 19.405  23.34778       26.89344  
1 1 1 -13 8   6  o 137.911 3.5552  10304.15   531.040  10762.85   648.532  9370.78    925.107  140.935 4.2486  131.454 6.4975  9.480637       7.763266  
1 1 1 -13 8   7  o 347.726 5.3579  65546.61   2017.90  66317.57   2604.15  64388.07   3192.32  349.652 6.8764  344.372 8.5587  5.279755       10.97889  
1 1 1 -13 8   8  o 402.845 6.7554  88040.52   2947.52  87360.67   3403.35  90080.80   5895.85  401.165 7.8327  406.437 13.393  -5.272308      15.51542  
1 1 1 -13 8   9  o 353.327 7.0530  67753.48   2699.09  67419.57   3307.02  68419.70   4671.25  352.261 8.6677  354.304 12.173  -2.042755      14.94333  
1 1 1 -13 8   10 o 369.121 7.2573  73977.09   2901.46  71532.88   3552.80  78871.62   5027.57  362.714 9.0435  380.242 12.208  -17.52808      15.19240  
1 1 1 -13 8   11 o 460.333 7.7847  115136.80  3881.37  113212.70  4482.07  120906.50  7761.44  456.202 9.0709  469.537 15.262  -13.33469      17.75387  
1 1 1 -13 8   12 o 180.544 3.6911  17666.81   721.791  16796.49   834.618  20248.89   1437.58  176.012 4.3780  193.094 6.8737  -17.08293      8.149529  
1 1 1 -13 8   13 o 373.794 6.4095  75874.34   2594.95  75665.59   2996.68  76500.12   5188.37  373.107 7.4154  373.804 12.815  -0.6968994     14.80579  
1 1 1 -13 8   14 o 404.078 6.8558  88727.06   3000.50  93006.81   4244.38  84451.51   4242.30  413.063 9.4870  393.477 9.9543  19.58572       13.75105  
1 1 1 -13 8   15 o 301.358 5.3213  49292.79   1736.88  50029.85   2457.64  48557.32   2455.00  303.270 7.4820  298.755 7.5869  4.515137       10.65561  
1 1 1 -13 8   16 o 246.196 4.4890  32881.91   1197.02  31054.48   1693.22  34707.73   1692.47  239.023 6.5404  252.741 6.1826  -13.71809      9.000090  
1 1 1 -13 8   17 o 159.135 3.4479  13729.83   594.278  13120.71   842.003  14334.44   838.877  155.468 5.0004  162.518 4.7657  -7.049469      6.907646  
1 1 1 -13 8   18 o 272.485 4.8676  40313.38   1436.58  40239.62   2035.42  40386.59   2027.87  271.879 6.9121  272.383 6.8737  -0.5038757     9.748057  
1 1 1 -13 8   19 o 223.964 4.2569  27225.66   1032.61  26534.39   1461.67  27914.42   1459.01  220.839 6.1109  226.536 5.9464  -5.697906      8.526541  
1 1 1 -13 8   20 o 39.880  4.9211  877.481    208.054  611.941    298.020  1129.94    290.587  32.815  8.3611  45.147  6.0987  -12.33186      10.34900  
1 1 1 -13 8   21 o 132.576 3.2381  9538.30    464.969  9619.12    660.900  9459.10    654.281  132.997 4.5880  131.887 4.5803  1.109955       6.482978  
1 1 1 -13 8   22 o 103.666 3.2455  5836.33    364.406  5047.74    519.041  6602.87    511.732  96.094  5.0043  110.148 4.2894  -14.05370      6.591020  
1 1 1 -13 8   23 o 170.403 3.6120  15799.24   666.642  15408.91   944.622  16186.53   940.938  167.865 5.1955  172.095 5.0480  -4.230057      7.244028  
1 1 1 -13 8   24 o 49.751  2.4340  1344.13    131.156  1737.51    363.322  1285.19    140.639  55.846  6.1061  48.560  2.6844  7.285748       6.670113  
1 1 1 -13 8   25 o 50.416  2.4536  1381.18    133.984  1381.25    144.570  1380.78    356.719  50.333  2.6613  49.416  6.8490  0.9176178      7.347921  
1 1 1 -13 8   26 o 25.185  1.6658  345.652    45.181   341.395    45.710   526.447    297.851  25.025  1.6964  30.016  8.6736  -4.990452      8.837955  
1 1 1 -13 8   27 o 53.244  4.6371  1573.70    264.742  1852.91    408.020  1370.69    347.924  57.084  6.7285  48.994  6.7346  8.090809       9.519850  
1 1 1 -13 8   28 o 33.435  7.0251  657.143    246.320  1176.12    383.631  293.116    321.297  44.484  8.2666  24.429  9.0876  20.05538       12.28499  
1 1 1 -13 8   29 o 22.488  7.9909  268.556    244.507  559.550    377.003  57.296     321.227  30.368  9.9425  19.994  8.4973  10.37406       13.07894  
1 1 1 -13 8   30 f 55.686  2.4876  1694.49    150.038  1691.58    428.746  1694.90    160.166  53.258  7.6525  55.658  2.6569  -2.399483      8.100595  
1 1 1 -13 8   31 o 54.141  4.8862  1674.10    283.441  1758.36    416.183  1601.21    387.090  53.850  7.3257  51.499  7.1311  2.350979       10.22345  
1 1 1 -13 8   32 o 29.024  9.3874  587.627    336.562  634.951    387.360  441.859    679.845  29.723  10.086  27.550  12.035  2.172991       15.70296  
1 1 1 -13 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 9   1  o 277.722 4.9344  41797.02   1484.29  44484.88   2100.06  39114.02   2098.15  286.430 6.7693  268.560 7.2132  17.86942       9.892056  
1 1 1 -13 9   2  o 130.008 2.9573  9155.48    416.422  8549.85    585.772  9774.26    592.099  125.618 4.3053  134.315 4.0700  -8.697441      5.924634  
1 1 1 -13 9   3  o 250.344 5.1940  33965.51   1408.35  33116.68   2434.51  34392.46   1726.58  247.004 9.0999  251.866 6.3292  -4.862061      11.08455  
1 1 1 -13 9   4  o 470.362 8.9882  120092.50  4579.08  115528.20  7928.38  122377.10  5609.20  460.199 15.906  474.554 10.913  -14.35526      19.28999  
1 1 1 -13 9   5  o 171.727 3.9462  15978.02   733.987  15197.94   898.702  17540.75   1272.00  167.460 4.9549  179.855 6.5297  -12.39536      8.196833  
1 1 1 -13 9   6  o 212.626 4.6819  24501.04   1078.23  25325.37   1320.58  22852.57   1867.47  216.139 5.6411  205.186 8.4030  10.95256       10.12089  
1 1 1 -13 9   7  o 327.239 5.5486  58055.50   1966.63  55071.99   2270.17  67027.95   3936.87  318.649 6.5777  351.144 10.351  -32.49493      12.26443  
1 1 1 -13 9   8  o 398.305 6.6487  86064.71   2868.28  80666.11   3311.28  102289.20  5740.38  385.469 7.9312  433.332 12.231  -47.86380      14.57709  
1 1 1 -13 9   9  o 245.126 5.1930  32578.85   1378.74  32018.78   1689.53  33695.31   2385.43  242.934 6.4211  249.010 8.8446  -6.076279      10.92967  
1 1 1 -13 9   10 f 449.426 8.7739  109802.40  4270.90  109869.90  5230.97  109667.50  7396.84  449.135 10.753  447.427 15.263  1.707397       18.67094  
1 1 1 -13 9   11 o 190.860 3.7670  19742.68   778.709  19742.99   899.652  19741.76   1554.95  190.836 4.3525  190.633 7.5309  0.2030792      8.698233  
1 1 1 -13 9   12 o 133.098 3.1109  9599.27    448.467  9764.83    520.355  9121.16    884.260  134.229 3.5792  129.625 6.2983  4.603760       7.244222  
1 1 1 -13 9   13 o 92.109  2.9476  4597.20    294.060  4342.82    343.616  5293.28    568.406  89.512  3.5442  98.627  5.3409  -9.114296      6.409916  
1 1 1 -13 9   14 o 361.365 6.2200  70919.18   2434.48  70507.30   3443.52  71330.75   3442.22  359.795 8.8364  361.902 8.7817  -2.107635      12.45794  
1 1 1 -13 9   15 o 405.652 6.8778  89450.83   3021.86  90643.29   4275.43  88260.45   4271.68  407.593 9.6846  402.162 9.8068  5.431061       13.78278  
1 1 1 -13 9   16 o 228.304 4.2603  28271.62   1053.48  28736.47   1492.17  27809.65   1487.54  229.997 5.9900  226.248 6.0703  3.748810       8.528140  
1 1 1 -13 9   17 o 186.044 3.7470  18769.54   755.042  18299.40   1069.33  19236.97   1066.26  183.568 5.3783  188.226 5.2301  -4.657959      7.502021  
1 1 1 -13 9   18 o 338.100 5.8667  62140.64   2148.36  62052.20   3039.17  62228.96   3037.32  337.214 8.3211  337.699 8.3040  -0.4851685     11.75573  
1 1 1 -13 9   19 o 237.957 4.6564  30748.50   1200.11  28816.10   1828.50  32210.89   1590.67  229.892 7.3435  243.324 6.0356  -13.43178      9.505555  
1 1 1 -13 9   20 o 194.254 3.8577  20482.59   811.641  20583.96   1150.40  20382.11   1145.29  194.509 5.4606  193.552 5.4632  0.9564362      7.724265  
1 1 1 -13 9   21 o 139.587 3.2827  10574.85   496.301  10999.99   705.986  10159.46   697.836  142.219 4.5832  136.661 4.7145  5.558350       6.575128  
1 1 1 -13 9   22 o 150.926 3.4563  12375.83   565.002  12046.32   802.931  12699.03   795.191  148.642 4.9873  152.652 4.8095  -4.009766      6.928512  
1 1 1 -13 9   23 o 54.980  2.2990  1640.14    136.903  1692.43    151.330  1404.45    321.275  55.839  2.5022  50.249  6.0231  5.590130       6.522142  
1 1 1 -13 9   24 o 118.744 3.3019  7675.02    424.669  8411.25    612.092  6991.71    589.681  124.024 4.5566  113.011 4.8175  11.01307       6.631079  
1 1 1 -13 9   25 o 147.292 3.4945  11830.08   557.490  11938.88   790.875  11722.63   785.968  147.458 4.9519  146.110 4.9665  1.347519       7.013387  
1 1 1 -13 9   26 f 50.849  4.5746  1431.81    249.247  2142.71    372.410  854.991    335.456  61.982  5.6081  38.132  8.3533  23.85051       10.06123  
1 1 1 -13 9   27 o 59.061  2.5813  1899.53    165.124  1932.31    185.976  1777.42    358.898  59.528  2.8845  56.167  5.9921  3.361126       6.650222  
1 1 1 -13 9   28 o 26.474  1.1311  380.071    32.434   386.018    32.596   -212.9567  325.505  26.681  1.1280  16.738  7.7197  9.942717       7.801677  
1 1 1 -13 9   29 o 19.165  7.6172  133.015    236.492  246.007    372.316  56.592     306.195  24.174  9.5734  19.589  8.3096  4.584677       12.67672  
1 1 1 -13 9   30 o 45.344  2.3427  1125.37    114.660  1361.84    391.675  1103.20    119.914  47.557  7.8798  44.866  2.4773  2.691910       8.260022  
1 1 1 -13 9   31 o 23.846  8.1324  340.947    251.838  621.446    369.709  98.121     343.987  30.637  9.8315  20.546  8.7640  10.09093       13.17067  
1 1 1 -13 9   32 f 64.048  5.6133  2431.83    385.473  2671.29    451.420  1787.14    740.701  66.354  6.3591  44.683  13.861  21.67050       15.25037  
1 1 1 -13 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 10  1  o 204.922 3.9248  22751.02   871.123  22215.63   1232.58  23285.33   1231.33  202.451 5.6211  207.272 5.4848  -4.821091      7.853691  
1 1 1 -13 10  2  o 236.421 4.8593  30289.88   1244.31  27554.27   2150.24  31667.21   1525.74  225.324 8.8107  241.702 5.8281  -16.37785      10.56384  
1 1 1 -13 10  3  o 136.411 3.4838  10080.68   514.718  8832.60    875.957  10738.88   636.124  127.637 6.3363  140.784 4.1718  -13.14647      7.586312  
1 1 1 -13 10  4  o 124.686 4.1096  8423.40    554.986  8027.69    777.235  8835.04    792.731  121.690 5.8970  127.666 5.7330  -5.976234      8.224433  
1 1 1 -13 10  5  o 183.176 4.2018  18180.90   833.626  19380.31   1020.62  15776.96   1444.91  189.101 4.9831  170.522 7.8233  18.57872       9.275500  
1 1 1 -13 10  6  o 317.464 5.4839  54633.66   1885.63  56132.67   2665.68  53132.39   2667.69  321.638 7.6519  312.906 7.8714  8.731384       10.97773  
1 1 1 -13 10  7  o 258.479 4.5299  36208.72   1268.19  34731.41   1463.37  40665.26   2541.65  253.115 5.3378  273.664 8.5749  -20.54840      10.10057  
1 1 1 -13 10  8  f 368.875 6.2569  73803.65   2499.83  72931.39   2886.33  76422.08   5000.85  366.588 7.2694  374.518 12.328  -7.929565      14.31186  
1 1 1 -13 10  9  o 258.275 5.3956  36171.84   1509.36  36258.32   1850.22  35999.78   2609.65  258.499 6.6084  257.323 9.3634  1.176331       11.46054  
1 1 1 -13 10  10 o 237.896 5.0625  30688.37   1304.43  30949.29   1598.47  30168.24   2256.88  238.830 6.1794  235.560 8.8458  3.269699       10.79040  
1 1 1 -13 10  11 f 90.561  2.9497  4443.54    289.326  3931.97    338.352  5835.15    558.051  85.177  3.6675  103.731 4.9670  -18.55416      6.174294  
1 1 1 -13 10  12 o 242.595 4.4749  31910.18   1175.80  31726.77   1358.15  32458.96   2349.28  241.847 5.1849  244.238 8.8808  -2.391663      10.28352  
1 1 1 -13 10  13 o 142.863 3.2627  11061.03   504.850  10948.57   585.417  11387.34   997.201  142.117 3.8032  144.809 6.3579  -2.692535      7.408617  
1 1 1 -13 10  14 f 217.585 4.0953  25670.72   965.136  26909.37   1369.43  24448.27   1360.44  222.645 5.6788  212.198 5.9193  10.44739       8.202806  
1 1 1 -13 10  15 o 109.459 2.9814  6493.08    353.464  6606.95    505.028  6383.74    494.875  110.375 4.2245  108.495 4.2113  1.879997       5.965018  
1 1 1 -13 10  16 f 179.396 3.6183  17448.63   703.059  18245.08   997.730  16663.11   990.856  183.348 5.0242  175.203 5.2215  8.144318       7.246176  
1 1 1 -13 10  17 o 322.405 5.6592  56465.57   1976.17  55521.64   2795.76  57408.11   2793.69  319.188 8.0869  324.600 7.9462  -5.412323      11.33757  
1 1 1 -13 10  18 o 163.340 3.5221  14468.59   623.113  13231.61   882.843  15696.50   879.597  156.073 5.2226  170.032 4.7762  -13.95892      7.077262  
1 1 1 -13 10  19 o 125.462 3.1690  8535.38    430.635  9125.81    613.059  7960.29    605.039  129.654 4.3656  121.075 4.6138  8.579498       6.351837  
1 1 1 -13 10  20 o 114.956 3.1873  7168.06    396.847  7299.14    558.427  7034.32    564.067  115.915 4.4479  113.782 4.5770  2.132599       6.382271  
1 1 1 -13 10  21 o 163.887 3.5367  14582.80   627.794  14735.63   891.338  14432.35   884.373  164.534 5.0017  162.830 5.0145  1.704086       7.082552  
1 1 1 -13 10  22 o 69.816  2.6602  2644.84    201.156  2959.60    361.448  2503.61    242.115  73.577  4.5580  67.892  3.2926  5.685287       5.622877  
1 1 1 -13 10  23 o 94.794  2.9545  4882.04    303.346  4797.28    454.396  4950.18    407.430  93.773  4.4739  95.334  3.9458  -1.560303      5.965329  
1 1 1 -13 10  24 o 82.091  3.5589  3671.35    316.429  3762.19    451.963  3584.02    443.163  82.697  5.0704  80.702  5.0962  1.995293       7.188879  
1 1 1 -13 10  25 o 36.958  6.2379  775.446    240.812  1041.72    349.677  535.241    332.119  42.495  7.8878  30.512  9.2483  11.98285       12.15518  
1 1 1 -13 10  26 o 46.479  4.9291  1202.64    244.353  1215.07    366.744  1192.71    327.681  45.886  7.6485  45.731  6.8245  0.1552620      10.25056  
1 1 1 -13 10  27 o 74.125  3.6943  3009.68    296.594  3368.70    439.649  2709.82    401.798  77.810  5.2474  69.708  5.3629  8.101173       7.503072  
1 1 1 -13 10  28 o 97.742  3.2158  5229.44    340.441  5188.80    450.408  5283.61    519.960  96.959  4.2889  97.426  4.9437  -0.4661942     6.544825  
1 1 1 -13 10  29 o 14.965  6.7143  -79.9628   225.844  -220.3333  345.267  25.012     298.579  17.135  7.9195  18.884  8.1129  -1.749107      11.33742  
1 1 1 -13 10  30 o 26.131  8.0010  411.680    247.706  212.964    366.308  579.111    336.240  23.262  9.3992  30.442  9.3220  -7.179491      13.23796  
1 1 1 -13 10  31 o 21.894  8.1562  258.421    258.993  577.620    368.682  -52.5617   363.906  29.639  9.8384  18.985  8.5202  10.65365       13.01495  
1 1 1 -13 10  32 o 19.638  8.3221  127.523    306.650  21.197     372.888  349.647    538.962  19.469  8.6890  25.583  10.943  -6.113997      13.97304  
1 1 1 -13 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 11  1  o 346.776 12.009  65387.67   4510.62  0.0000     0.0000   65387.67   4510.62  ?       ?       346.776 12.009  0.000000       12.00928  
1 1 1 -13 11  2  o 368.583 7.3529  73683.86   2935.39  79420.26   5082.86  70813.31   3595.60  382.140 12.280  361.177 9.1914  20.96329       15.33923  
1 1 1 -13 11  3  f 461.484 11.002  115735.60  5499.13  117126.10  7775.83  114344.20  7778.08  463.458 15.491  457.881 15.684  5.576447       22.04394  
1 1 1 -13 11  4  o 362.670 7.1932  71340.50   2825.57  70872.36   3459.22  72279.03   4897.95  361.336 8.8389  364.492 12.407  -3.156189      15.23325  
1 1 1 -13 11  5  o 229.490 4.9106  28542.82   1220.59  29093.57   1494.56  27439.71   2115.15  231.652 5.9567  224.830 8.6859  6.822021       10.53224  
1 1 1 -13 11  6  o 175.561 3.4957  16698.40   664.704  16339.67   765.532  17797.50   1339.98  173.652 4.0702  181.141 6.8298  -7.489304      7.950643  
1 1 1 -13 11  7  o 257.366 4.5226  35897.84   1260.68  35086.86   1454.79  38343.22   2526.19  254.407 5.2796  265.711 8.7778  -11.30394      10.24324  
1 1 1 -13 11  8  o 325.474 5.5162  57439.75   1944.57  55398.88   2244.70  63577.62   3892.78  319.564 6.4853  341.865 10.513  -22.30106      12.35259  
1 1 1 -13 11  9  o 288.223 5.9210  45060.03   1848.39  43625.37   2264.73  47922.37   3198.92  283.473 7.3762  296.805 9.9509  -13.33224      12.38663  
1 1 1 -13 11  10 o 336.675 6.7554  61527.63   2463.37  60400.94   3017.09  63780.63   4266.45  333.373 8.3558  342.027 11.517  -8.654633      14.22877  
1 1 1 -13 11  11 o 253.402 4.6299  34815.95   1270.73  33895.25   1467.37  37577.23   2541.18  249.973 5.4197  262.832 8.9266  -12.85904      10.44306  
1 1 1 -13 11  12 o 210.454 4.0518  24009.80   923.575  22998.46   1067.37  27023.17   1842.43  205.933 4.7854  222.986 7.6286  -17.05284      9.005292  
1 1 1 -13 11  13 o 413.418 7.0272  92871.09   3146.60  92781.98   3633.86  93138.12   6290.70  412.987 8.1238  411.924 14.100  1.062103       16.27267  
1 1 1 -13 11  14 o 247.939 4.5446  33342.50   1220.43  33297.12   1410.03  33478.03   2436.70  247.705 5.2556  247.872 9.0762  -0.1662445     10.48804  
1 1 1 -13 11  15 o 160.624 3.4614  13985.52   602.195  12671.34   858.490  15258.54   844.936  152.799 5.1873  167.710 4.6515  -14.91055      6.967436  
1 1 1 -13 11  16 o 228.264 4.2791  28262.56   1057.94  28520.35   1498.57  28006.42   1493.74  229.121 6.0387  227.043 6.0743  2.078003       8.565214  
1 1 1 -13 11  17 o 217.298 4.1253  25613.40   970.903  24840.80   1375.01  26381.65   1371.13  213.806 5.9376  220.361 5.7448  -6.555374      8.261849  
1 1 1 -13 11  18 o 267.481 4.8525  38848.41   1405.81  38494.00   1987.34  39203.37   1988.90  265.901 6.9005  268.351 6.8429  -2.450684      9.718160  
1 1 1 -13 11  19 o 151.806 3.4316  12499.22   564.229  12261.82   795.921  12739.04   799.976  150.239 4.8912  153.142 4.8230  -2.902222      6.869119  
1 1 1 -13 11  20 o 142.190 3.2876  10968.08   506.313  11006.78   719.983  10930.21   712.151  142.316 4.6709  141.824 4.6361  0.4921875      6.581071  
1 1 1 -13 11  21 o 54.237  3.8321  1605.82    223.666  1381.78    322.904  1812.45    310.107  49.958  6.0939  57.484  5.0315  -7.525494      7.902585  
1 1 1 -13 11  22 o 102.369 3.0928  5690.35    342.917  5932.09    490.958  5460.08    479.172  104.386 4.3424  100.138 4.4180  4.248230       6.194757  
1 1 1 -13 11  23 o 127.334 3.2420  8815.15    447.122  8235.11    631.090  9399.75    633.569  122.799 4.7449  131.260 4.4565  -8.460892      6.509551  
1 1 1 -13 11  24 o 47.829  4.9102  1265.81    250.757  959.231    361.020  1551.60    348.556  40.694  8.4665  52.695  6.2275  -12.00050      10.51019  
1 1 1 -13 11  25 o 30.816  6.9517  548.496    226.501  288.745    343.471  748.376    301.298  25.185  9.3906  35.865  7.9637  -10.67992      12.31278  
1 1 1 -13 11  26 f 74.452  3.6463  3030.36    294.035  3487.60    436.683  2651.10    397.701  79.360  5.1075  69.069  5.3582  10.29119       7.402463  
1 1 1 -13 11  27 f 119.997 3.3759  7873.52    438.769  8056.44    636.214  7707.61    605.920  120.761 4.8641  118.179 4.7337  2.581673       6.787344  
1 1 1 -13 11  28 o 77.490  3.7776  3300.66    317.054  3501.58    456.715  3113.75    440.489  79.058  5.3655  74.468  5.5002  4.589348       7.683788  
1 1 1 -13 11  29 o 55.775  2.2864  1695.84    138.121  1800.48    150.290  1127.10    350.386  57.448  2.4154  43.493  7.7208  13.95454       8.089757  
1 1 1 -13 11  30 o 52.904  4.8039  1579.56    272.265  1327.82    404.719  1787.67    367.980  46.655  8.3140  55.581  6.2193  -8.925850      10.38275  
1 1 1 -13 11  31 o 26.709  8.2646  450.665    263.505  426.313    377.162  473.886    368.299  26.533  9.8508  27.420  9.8005  -0.8869267     13.89558  
1 1 1 -13 11  32 o 28.666  9.2697  571.952    328.189  691.086    410.246  360.187    546.957  30.647  10.380  25.742  11.018  4.904999       15.13713  
1 1 1 -13 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 12  1  o 391.768 13.404  83547.38   5687.46  0.0000     0.0000   83547.38   5687.46  ?       ?       391.768 13.404  0.000000       13.40353  
1 1 1 -13 12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 12  3  o 404.464 7.9414  88757.69   3478.96  88146.70   4260.72  89979.87   6026.06  402.879 9.7642  406.499 13.687  -3.619507      16.81282  
1 1 1 -13 12  4  o 226.990 4.8500  27923.30   1192.39  27164.30   1457.42  29459.96   2073.72  223.841 6.0114  232.996 8.2173  -9.155136      10.18140  
1 1 1 -13 12  5  o 268.796 4.7981  39156.94   1396.89  38854.50   1971.14  39462.08   1979.88  267.656 6.7994  269.742 6.7767  -2.085968      9.599762  
1 1 1 -13 12  6  o 289.231 5.0114  45342.56   1569.91  44487.86   1811.56  47920.58   3146.20  286.448 5.8390  296.980 9.7811  -10.53168      11.39139  
1 1 1 -13 12  7  o 205.698 3.8118  22926.47   849.236  22119.53   978.626  25387.14   1708.92  202.025 4.4724  216.298 7.2946  -14.27348      8.556466  
1 1 1 -13 12  8  o 116.009 2.8781  7290.77    361.631  7550.06    417.049  6504.98    726.017  118.048 3.2618  109.339 6.1556  8.709015       6.966418  
1 1 1 -13 12  9  o 128.436 3.6260  8938.82    504.408  8386.29    624.695  9973.90    855.016  124.379 4.6371  135.604 5.8215  -11.22421      7.442621  
1 1 1 -13 12  10 o 285.306 5.8414  44159.91   1805.08  43345.07   2210.94  45788.82   3126.02  282.530 7.2250  290.036 9.9511  -7.505615      12.29737  
1 1 1 -13 12  11 o 36.943  3.8053  747.559    150.084  882.323    180.357  444.106    270.640  40.124  4.2130  28.340  8.2907  11.78430       9.299734  
1 1 1 -13 12  12 o 189.442 3.7605  19452.39   771.591  19692.15   890.299  18728.83   1546.61  190.580 4.3131  185.627 7.6925  4.952713       8.819174  
1 1 1 -13 12  13 o 118.782 3.0378  7645.67    390.817  7029.67    452.742  9446.79    774.162  113.880 3.6706  131.942 5.4172  -18.06265      6.543666  
1 1 1 -13 12  14 o 273.309 4.9300  40526.68   1459.38  40021.45   1686.20  42034.77   2913.25  271.513 5.7339  277.625 9.6883  -6.112061      11.25795  
1 1 1 -13 12  15 o 223.176 4.2147  27012.09   1018.79  26765.75   1442.68  27257.14   1438.90  221.992 6.0001  224.028 5.9300  -2.036102      8.436051  
1 1 1 -13 12  16 o 197.163 3.8719  21079.67   826.829  21098.24   1173.69  21061.37   1164.98  197.117 5.4974  196.949 5.4613  0.1688538      7.749034  
1 1 1 -13 12  17 o 104.624 2.9598  5933.04    335.401  5455.85    468.125  6436.38    480.786  100.280 4.3100  108.930 4.0751  -8.649643      5.931448  
1 1 1 -13 12  18 o 95.883  3.1164  4984.25    323.645  5079.26    471.504  4899.60    445.048  96.735  4.5002  95.017  4.3245  1.717896       6.241218  
1 1 1 -13 12  19 o 122.236 3.1828  8102.49    421.387  8730.89    608.813  7524.61    583.833  126.808 4.4327  117.712 4.5793  9.095749       6.373256  
1 1 1 -13 12  20 o 209.753 4.0732  23890.53   925.368  23574.55   1315.68  24199.86   1301.76  208.067 5.8382  210.835 5.7006  -2.768433      8.159726  
1 1 1 -13 12  21 o 198.162 4.0160  21338.68   861.947  19852.43   1295.60  22518.86   1154.52  190.668 6.2737  203.324 5.2425  -12.65581      8.175769  
1 1 1 -13 12  22 o 95.818  2.8963  4983.85    300.578  5038.41    407.130  4918.49    445.637  96.248  3.9055  95.049  4.3288  1.199081       5.830188  
1 1 1 -13 12  23 o 190.317 3.8656  19726.88   796.836  17860.47   1194.63  21222.81   1069.51  180.326 6.1165  197.023 5.0119  -16.69691      7.907648  
1 1 1 -13 12  24 o 122.910 3.3191  8224.79    441.860  8515.63    634.985  7951.75    615.250  124.732 4.7002  120.528 4.7129  4.203903       6.656092  
1 1 1 -13 12  25 o 52.431  4.4641  1516.52    251.097  1441.44    377.628  1576.02    336.183  50.402  7.1153  53.091  5.9486  -2.688671      9.274399  
1 1 1 -13 12  26 f 93.539  3.3916  4777.44    343.611  4741.66    503.717  4808.58    469.921  92.602  5.0412  93.511  4.6397  -0.9089661     6.851327  
1 1 1 -13 12  27 f 78.232  3.6333  3352.11    307.865  3514.27    456.776  3217.13    416.747  79.421  5.3411  76.074  5.0872  3.346901       7.376081  
1 1 1 -13 12  28 o 40.770  5.9550  951.042    255.208  590.408    372.963  1268.59    349.972  31.299  9.8568  46.707  7.1452  -15.40791      12.17415  
1 1 1 -13 12  29 o 39.863  1.3536  862.574    58.442   699.588    83.177   1021.48    82.130   35.772  2.1569  43.346  1.7494  -7.574108      2.777141  
1 1 1 -13 12  30 o 50.431  4.9321  1440.07    265.956  1519.21    402.512  1378.74    354.318  50.383  7.6135  48.324  6.9712  2.059204       10.32298  
1 1 1 -13 12  31 o 31.788  7.9715  641.693    273.962  506.129    403.873  757.239    372.864  28.147  10.236  33.559  9.7066  -5.412106      14.10659  
1 1 1 -13 12  32 o 19.866  8.3506  145.133    304.743  73.026     375.479  284.307    521.642  20.127  8.8643  24.631  10.653  -4.504740      13.85863  
1 1 1 -13 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 13  2  o 108.925 5.6540  6448.64    664.752  6448.64    664.752  0.0000     0.0000   108.925 5.6540  ?       ?       0.000000       5.654047  
1 1 1 -13 13  3  o 709.394 23.717  277146.69  18222.58 277146.69  18222.58 0.0000     0.0000   709.394 23.717  ?       ?       0.000000       23.71658  
1 1 1 -13 13  4  o 290.545 5.9533  45766.43   1873.44  46102.13   2291.49  45089.70   3253.44  291.530 7.2571  288.060 10.428  3.470551       12.70446  
1 1 1 -13 13  5  o 77.519  2.7572  3255.14    231.497  3302.92    262.660  3088.83    489.993  78.084  3.1057  75.234  6.0647  2.849876       6.813706  
1 1 1 -13 13  6  o 112.497 2.8433  6855.62    346.445  6672.04    397.420  7436.71    707.061  110.975 3.3064  117.120 5.5738  -6.145393      6.480726  
1 1 1 -13 13  7  o 334.396 5.6617  60631.21   2050.57  59462.59   2366.73  64149.73   4106.71  331.084 6.5999  343.369 11.042  -12.28522      12.86440  
1 1 1 -13 13  8  o 187.348 3.5887  19018.55   728.206  17940.59   839.865  22283.30   1461.62  181.941 4.2620  202.657 6.6589  -20.71556      7.906020  
1 1 1 -13 13  9  o 205.767 4.5615  22952.01   1016.61  22323.66   1245.76  24204.61   1758.91  202.877 5.6693  211.116 7.6922  -8.239243      9.555719  
1 1 1 -13 13  10 o 22.056  5.9911  272.536    146.833  424.563    185.650  18.567     239.952  27.423  6.3718  17.620  7.4085  9.803091       9.771688  
1 1 1 -13 13  11 o 189.503 3.7625  19463.61   772.253  19082.05   893.302  20592.23   1536.37  187.609 4.3962  194.704 7.2854  -7.095245      8.508996  
1 1 1 -13 13  12 o 114.384 2.9768  7089.44    368.796  7408.56    430.412  6208.05    715.307  116.920 3.3988  106.758 6.2130  10.16190       7.081909  
1 1 1 -13 13  13 o 228.042 4.2624  28197.91   1052.78  27478.89   1216.75  30339.44   2099.87  225.063 4.9915  236.141 8.2101  -11.07777      9.608377  
1 1 1 -13 13  14 o 309.170 5.4404  51880.43   1821.78  51092.99   2104.06  54238.73   3641.23  306.693 6.3341  315.121 10.668  -8.427887      12.40708  
1 1 1 -13 13  15 f 200.235 3.8864  21739.73   842.863  22166.76   1194.42  21316.16   1189.58  202.071 5.4574  198.148 5.5428  3.922485       7.778538  
1 1 1 -13 13  16 o 165.373 3.4682  14826.30   621.217  16105.58   883.114  13573.21   874.024  172.281 4.7327  158.132 5.1031  14.14871       6.959876  
1 1 1 -13 13  17 o 267.374 4.8480  38805.03   1403.96  37973.22   1990.10  39629.18   1980.93  264.168 6.9554  269.899 6.7764  -5.731293      9.710670  
1 1 1 -13 13  18 o 52.819  3.8673  1521.51    219.707  1352.91    329.517  1656.46    294.798  49.479  6.2910  55.002  5.0032  -5.523647      8.037968  
1 1 1 -13 13  19 o 230.223 4.2807  28774.05   1067.42  30529.60   1516.56  27050.49   1502.67  236.879 5.9110  222.917 6.2237  13.96173       8.583390  
1 1 1 -13 13  20 o 123.797 3.2204  8313.87    431.802  8066.69    623.862  8541.17    598.261  121.822 4.7282  125.384 4.4053  -3.562057      6.462376  
1 1 1 -13 13  21 f 126.444 3.2751  8678.53    448.527  8277.64    632.937  9082.92    635.698  123.332 4.7382  129.218 4.5421  -5.885284      6.563641  
1 1 1 -13 13  22 o 134.913 3.2776  9887.74    478.940  9790.43    682.276  9982.28    672.479  134.029 4.6999  135.356 4.5870  -1.327209      6.567355  
1 1 1 -13 13  23 o 149.853 3.3671  12214.49   546.500  11131.51   770.480  13311.00   775.278  142.684 4.9856  156.143 4.5842  -13.45958      6.772811  
1 1 1 -13 13  24 o 31.584  6.7121  572.123    222.537  689.642    339.491  483.583    294.676  34.383  9.0082  29.121  8.6856  5.262154       12.51349  
1 1 1 -13 13  25 o 83.278  3.4605  3782.38    312.132  3606.35    462.030  3930.16    423.344  80.769  5.3111  84.531  4.6417  -3.761856      7.053578  
1 1 1 -13 13  26 o 65.170  2.6867  2312.00    189.643  2341.63    221.481  2230.59    367.123  65.527  3.1207  63.299  5.4067  2.228153       6.242663  
1 1 1 -13 13  27 o 21.150  2.2884  246.164    51.587   1014.31    351.860  229.290    52.150   41.488  8.1210  20.386  2.4084  21.10213       8.470653  
1 1 1 -13 13  28 o 18.336  7.4658  92.929     233.145  8.6644     343.935  164.570    317.127  20.004  8.6509  21.831  8.7718  -1.826241      12.32007  
1 1 1 -13 13  29 o 56.868  2.5981  1766.57    160.026  1859.62    406.340  1749.49    174.095  56.634  6.7578  56.473  2.8556  0.1609802      7.336395  
1 1 1 -13 13  30 o 47.533  5.1517  1286.27    260.983  1703.26    396.966  968.811    346.360  53.761  6.9822  39.653  8.3294  14.10765       10.86878  
1 1 1 -13 13  31 o 22.097  8.0791  273.833    252.082  184.662    395.021  335.094    327.417  22.640  9.5116  24.262  9.1444  -1.622044      13.19434  
1 1 1 -13 13  32 o 20.174  9.8021  -582.3298  676.507  -582.3298  676.507  0.0000     0.0000   20.174  9.8021  ?       ?       0.000000       9.802109  
1 1 1 -13 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 14  1  o 209.010 5.6436  23680.55   1277.60  21912.39   1807.84  25444.62   1805.75  200.944 8.3064  216.566 7.6983  -15.62268      11.32526  
1 1 1 -13 14  2  o 234.915 8.6821  29953.73   2209.06  29953.73   2209.06  0.0000     0.0000   234.915 8.6821  ?       ?       0.000000       8.682111  
1 1 1 -13 14  3  o 420.910 14.318  96550.73   6527.47  96550.73   6527.47  0.0000     0.0000   420.910 14.318  ?       ?       0.000000       14.31810  
1 1 1 -13 14  4  o 377.075 9.1443  77207.02   3734.66  78205.48   5280.22  76207.53   5282.98  379.011 12.863  374.111 13.038  4.899719       18.31488  
1 1 1 -13 14  5  o 313.764 5.4828  53368.77   1863.27  52370.10   2150.41  56377.14   3732.29  310.759 6.3889  322.029 10.701  -11.27057      12.46284  
1 1 1 -13 14  6  o 324.403 5.6554  57057.16   1987.10  56936.05   2293.73  57421.45   3978.27  323.996 6.5363  324.876 11.306  -0.8804626     13.05938  
1 1 1 -13 14  7  o 390.479 6.5837  82713.75   2784.44  82580.07   3214.75  83115.23   5571.17  390.052 7.6095  390.427 13.175  -0.3747864     15.21424  
1 1 1 -13 14  8  o 254.799 4.5355  35190.44   1251.67  33453.65   1444.47  40425.15   2507.73  248.387 5.3692  272.789 8.4876  -24.40135      10.04327  
1 1 1 -13 14  9  o 299.546 5.9420  48675.19   1927.81  43097.40   2360.02  59860.99   3342.09  281.695 7.7351  331.777 9.3004  -50.08246      12.09666  
1 1 1 -13 14  10 o 230.690 4.8476  28856.26   1211.23  27077.51   1484.36  32400.65   2095.34  223.383 6.1351  244.193 7.9223  -20.81004      10.02007  
1 1 1 -13 14  11 o 78.768  2.8503  3361.62    243.169  3179.74    284.289  3857.51    469.409  76.600  3.4266  84.175  5.1738  -7.575020      6.205596  
1 1 1 -13 14  12 o 137.144 3.1803  10192.27   472.403  10532.18   547.878  9207.21    932.686  139.398 3.6287  130.038 6.6443  9.359787       7.570598  
1 1 1 -13 14  13 o 73.526  3.0061  2929.54    239.392  2803.99    274.183  3332.22    491.040  71.925  3.5196  78.131  5.8449  -6.206253      6.822797  
1 1 1 -13 14  14 o 199.023 3.9048  21475.90   841.742  21104.92   973.721  22572.92   1674.43  197.256 4.5576  203.717 7.5887  -6.460938      8.852159  
1 1 1 -13 14  15 o 247.229 4.5268  33156.67   1212.16  32868.29   1401.24  34014.17   2416.24  246.079 5.2574  249.798 8.9306  -3.718781      10.36319  
1 1 1 -13 14  16 o 389.378 6.6463  82430.72   2802.98  81503.55   3965.07  83356.90   3962.95  386.402 9.4742  390.807 9.3624  -4.404938      13.31969  
1 1 1 -13 14  17 o 241.210 4.4728  31571.94   1168.53  30763.75   1658.16  32369.30   1647.01  237.848 6.4366  244.007 6.2319  -6.159271      8.959168  
1 1 1 -13 14  18 o 175.623 3.7970  16730.95   722.268  16538.12   978.675  16961.61   1070.35  174.485 5.1786  176.660 5.5940  -2.174789      7.623004  
1 1 1 -13 14  19 o 155.233 3.4144  13070.70   574.081  13419.95   816.232  12728.82   807.583  157.173 4.7948  153.064 4.8713  4.108398       6.835135  
1 1 1 -13 14  20 o 78.224  2.7758  3318.03    235.174  2945.33    298.852  3924.19    381.129  73.564  3.7634  85.002  4.1397  -11.43799      5.594685  
1 1 1 -13 14  21 o 115.142 3.0856  7194.97    384.810  7328.25    545.442  7062.89    542.974  116.084 4.3382  113.956 4.3992  2.127884       6.178360  
1 1 1 -13 14  22 o 96.525  3.0786  5059.82    321.854  4672.78    459.721  5431.91    450.753  92.602  4.5836  99.895  4.1661  -7.292770      6.193944  
1 1 1 -13 14  23 o 37.059  4.9759  764.070    194.682  790.569    263.356  732.141    289.082  37.324  6.7637  35.697  7.7030  1.627113       10.25099  
1 1 1 -13 14  24 o 94.196  3.3345  4831.54    340.194  4514.13    499.115  5106.94    464.918  90.577  5.1084  96.638  4.4418  -6.061134      6.769457  
1 1 1 -13 14  25 o 84.780  3.4441  3920.01    316.252  3913.10    469.891  3925.73    427.592  84.182  5.1787  84.463  4.6926  -0.2808380     6.988484  
1 1 1 -13 14  26 o 31.653  6.8340  580.989    227.429  636.638    349.229  540.008    299.691  32.790  9.3671  30.341  8.6808  2.449322       12.77099  
1 1 1 -13 14  27 o 49.619  2.6985  1345.75    144.478  1981.92    336.377  1201.84    159.987  59.559  5.2689  46.797  3.1752  12.76126       6.151644  
1 1 1 -13 14  28 f 20.807  7.7764  201.675    235.809  375.813    347.375  52.850     321.137  26.455  9.5114  20.050  8.5076  6.405413       12.76113  
1 1 1 -13 14  29 o 22.174  7.8080  264.240    232.933  -46.9777   358.014  492.688    306.733  19.461  8.6091  28.557  8.9300  -9.095430      12.40409  
1 1 1 -13 14  30 o 4.8054  2.2578  -31.7343   29.963   -34.8399   30.108   287.389    305.208  4.7256  2.2335  23.569  8.8394  -18.84290      9.117229  
1 1 1 -13 14  31 o 17.977  1.4840  177.038    28.636   89.846     370.767  177.561    28.722   20.837  8.9967  18.004  1.4862  2.833956       9.118626  
1 1 1 -13 14  32 o 46.694  13.902  1950.87    755.404  1950.87    755.404  0.0000     0.0000   46.694  13.902  ?       ?       0.000000       13.90188  
1 1 1 -13 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 15  1  o 681.225 13.048  252638.50  9627.18  249512.09  11791.36 258889.70  16673.27 676.073 16.103  686.099 22.437  -10.02600      27.61731  
1 1 1 -13 15  2  o 720.253 17.012  283460.00  13271.14 268058.41  18769.67 298856.91  18766.79 696.897 24.867  736.572 23.524  -39.67554      34.23031  
1 1 1 -13 15  3  o 186.257 5.2187  18803.60   1052.81  19126.67   1485.45  18477.52   1492.37  187.773 7.3039  184.552 7.4660  3.220963       10.44451  
1 1 1 -13 15  4  o 264.123 6.7000  37834.88   1916.69  36050.15   2708.07  39626.32   2713.15  257.610 9.7057  270.122 9.2735  -12.51163      13.42380  
1 1 1 -13 15  5  o 282.577 7.0942  43317.88   2171.25  41911.30   3067.53  44730.13   3073.72  277.694 10.199  286.911 9.8911  -9.217010      14.20745  
1 1 1 -13 15  6  o 339.496 5.8272  62496.77   2142.71  61875.07   2473.46  64366.27   4289.23  337.730 6.7618  343.909 11.515  -6.178894      13.35360  
1 1 1 -13 15  7  o 309.848 5.4205  52053.88   1819.10  51746.81   2099.93  52977.16   3641.25  308.870 6.2771  312.037 10.774  -3.167084      12.46914  
1 1 1 -13 15  8  o 556.317 9.1900  168234.70  5537.42  163589.30  6393.63  182178.09  11077.05 548.200 10.768  575.971 17.756  -27.77069      20.76630  
1 1 1 -13 15  9  o 658.642 10.770  236274.80  7682.78  229021.70  8870.89  258042.41  15367.78 647.757 12.644  683.048 20.773  -35.29102      24.31808  
1 1 1 -13 15  10 o 276.432 7.0216  41492.56   2102.31  39223.51   2974.37  43757.76   2971.85  268.369 10.233  283.540 9.6770  -15.17166      14.08385  
1 1 1 -13 15  11 o 226.466 4.2655  27804.08   1046.27  26811.59   1209.06  30763.47   2087.78  222.342 5.0206  237.884 8.1030  -15.54221      9.532351  
1 1 1 -13 15  12 o 372.964 6.4216  75532.25   2594.07  74296.70   2995.67  79235.98   5186.59  369.725 7.4807  380.563 12.583  -10.83737      14.63878  
1 1 1 -13 15  13 o 177.933 3.6703  17161.97   707.333  16299.27   818.240  19713.01   1407.05  173.370 4.3575  190.479 6.8201  -17.10861      8.093334  
1 1 1 -13 15  14 o 119.534 3.0660  7743.50    396.944  7390.23    461.958  8740.31    775.989  116.758 3.6530  126.886 5.6464  -10.12798      6.725023  
1 1 1 -13 15  15 o 191.512 3.7575  19885.75   779.401  20243.23   901.607  18828.68   1550.41  193.190 4.3088  186.005 7.6957  7.185089       8.819902  
1 1 1 -13 15  16 o 169.902 3.5495  15650.48   653.185  15734.01   929.931  15569.14   917.677  170.257 5.0428  169.366 5.0026  0.8913574      7.103245  
1 1 1 -13 15  17 o 155.983 3.4033  13191.83   574.977  13326.38   818.799  13060.95   807.596  156.683 4.8249  155.117 4.8069  1.566910       6.810698  
1 1 1 -13 15  18 o 60.855  3.4427  2014.69    225.987  1768.77    331.505  2228.18    308.879  56.793  5.4563  63.913  4.4905  -7.119751      7.066553  
1 1 1 -13 15  19 o 212.197 4.1139  24442.02   945.506  24151.16   1338.27  24731.91   1336.03  210.677 5.8648  213.209 5.7855  -2.531540      8.238222  
1 1 1 -13 15  20 o 31.231  1.6024  529.836    54.022   405.229    276.176  534.793    55.086   27.254  8.4655  31.376  1.6266  -4.121614      8.620385  
1 1 1 -13 15  21 o 58.006  3.6727  1835.02    229.552  1556.36    337.552  2074.76    313.095  53.066  5.9770  61.560  4.7320  -8.494686      7.623433  
1 1 1 -13 15  22 o 45.246  4.2004  1124.03    203.500  1372.18    279.588  844.451    296.764  49.859  5.2565  38.555  7.3754  11.30420       9.056904  
1 1 1 -13 15  23 f 112.403 3.0915  6868.57    376.374  6039.94    529.355  7715.73    535.240  105.151 4.6480  118.950 4.1545  -13.79858      6.234039  
1 1 1 -13 15  24 o 138.987 3.4589  10524.26   520.694  10109.12   764.758  10883.01   710.930  135.708 5.2029  140.995 4.6553  -5.287338      6.981596  
1 1 1 -13 15  25 o 78.835  3.5182  3390.84    300.402  3379.71    449.081  3399.86    404.132  78.157  5.3369  78.557  4.7723  -0.3999481     7.159466  
1 1 1 -13 15  26 o 47.341  4.7986  1246.10    242.649  1117.73    373.561  1339.79    319.143  43.754  8.1836  48.705  6.1896  -4.951366      10.26067  
1 1 1 -13 15  27 o 53.540  2.4909  1560.93    144.448  1530.98    159.526  1697.27    340.373  52.915  2.7934  54.888  5.8140  -1.972763      6.450220  
1 1 1 -13 15  28 o 29.846  7.2880  528.970    233.551  805.085    359.849  328.009    306.995  36.277  9.1574  24.907  8.9429  11.36971       12.79978  
1 1 1 -13 15  29 o 22.375  7.9114  268.508    239.380  442.325    382.472  156.573    306.927  27.895  9.9855  21.272  8.6007  6.622608       13.17881  
1 1 1 -13 15  30 o 38.654  2.2688  818.464    94.571   812.002    98.128   902.806    354.483  38.482  2.3658  37.945  8.7966  0.5366783      9.109227  
1 1 1 -13 15  31 o 19.411  7.6776  166.853    239.173  395.338    371.591  5.2452     312.512  25.733  9.7314  18.356  8.0857  7.376354       12.65223  
1 1 1 -13 15  32 f 28.989  12.510  589.672    716.180  589.672    716.180  0.0000     0.0000   28.989  12.510  ?       ?       0.000000       12.51005  
1 1 1 -13 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 16  1  o 382.970 6.9856  79550.33   2897.60  80245.88   4475.93  79048.53   3801.76  384.233 10.755  381.543 9.1997  2.689819       14.15302  
1 1 1 -13 16  2  o 421.832 7.1774  96523.46   3279.25  94339.10   4636.61  98709.60   4638.51  416.673 10.274  426.247 10.047  -9.573669      14.37010  
1 1 1 -13 16  3  o 240.543 4.4151  31354.58   1150.29  30926.60   1623.09  31786.44   1630.44  238.818 6.2749  242.118 6.2174  -3.299988      8.833447  
1 1 1 -13 16  4  o 58.319  4.1188  1852.11    258.493  1918.06    356.824  1779.28    374.980  59.214  5.6314  56.949  6.1784  2.265217       8.359715  
1 1 1 -13 16  5  o 239.773 6.2054  31177.07   1611.53  29287.06   2275.07  33080.34   2283.04  232.213 9.0456  246.833 8.5396  -14.61935      12.43980  
1 1 1 -13 16  6  o 148.528 4.8824  11957.86   785.446  12487.31   1032.89  11231.90   1209.47  151.735 6.2849  143.637 7.8036  8.098663       10.01974  
1 1 1 -13 16  7  o 506.263 8.4535  139213.30  4635.37  137884.41  5351.90  143203.59  9273.67  503.582 9.8122  511.258 16.747  -7.676331      19.40996  
1 1 1 -13 16  8  o 279.330 4.9375  42301.70   1493.80  41722.14   1724.26  44045.50   2990.93  277.355 5.7398  284.576 9.7037  -7.220978      11.27416  
1 1 1 -13 16  9  o 503.449 8.4119  137750.91  4586.92  134482.30  5296.27  147560.59  9175.16  497.116 9.8365  518.523 16.337  -21.40701      19.06984  
1 1 1 -13 16  10 o 490.467 11.685  131245.80  6207.55  131109.20  8779.20  131382.41  8778.40  488.377 16.597  488.894 16.578  -0.5169373     23.45823  
1 1 1 -13 16  11 o 153.594 3.3157  12784.09   551.588  13015.61   640.176  12116.90   1086.76  154.962 3.8142  149.381 6.7168  5.580658       7.724260  
1 1 1 -13 16  12 o 268.268 4.8310  39034.07   1403.70  39319.72   1622.08  38182.33   2801.00  269.180 5.5637  264.699 9.7699  4.481720       11.24303  
1 1 1 -13 16  13 o 89.066  2.9476  4298.62    284.349  4058.43    332.212  4956.71    549.897  86.530  3.5447  95.425  5.3419  -8.894989      6.411026  
1 1 1 -13 16  14 o 164.491 3.4616  14666.43   616.726  13987.58   713.306  16676.49   1227.43  160.609 4.1005  175.199 6.4684  -14.59004      7.658567  
1 1 1 -13 16  15 o 51.921  3.5507  1468.29    198.481  1444.72    234.528  1527.75    372.592  51.437  4.2477  52.597  6.6920  -1.159878      7.926234  
1 1 1 -13 16  16 o 461.474 7.7511  115957.30  3874.18  120494.30  5480.42  111425.30  5477.43  469.226 10.784  451.031 11.212  18.19476       15.55648  
1 1 1 -13 16  17 o 345.600 5.9744  64920.14   2236.34  68158.66   3165.07  61691.41   3160.28  353.525 8.2660  336.215 8.6784  17.31003       11.98500  
1 1 1 -13 16  18 o 82.026  3.1025  3647.81    275.634  3710.97    401.802  3591.66    378.822  82.560  4.5105  81.235  4.3210  1.324158       6.246220  
1 1 1 -13 16  19 o 73.560  3.2373  2934.66    257.927  3010.64    378.329  2868.69    352.559  74.295  4.7261  72.539  4.5097  1.756065       6.532473  
1 1 1 -13 16  20 o 25.975  6.4143  382.570    179.384  527.339    261.096  253.140    246.876  30.471  7.8597  22.888  8.0400  7.582438       11.24349  
1 1 1 -13 16  21 o 84.978  2.8515  3918.14    262.453  3637.08    348.162  4288.06    399.427  81.804  3.9295  88.805  4.1527  -7.000870      5.717171  
1 1 1 -13 16  22 o 103.675 3.0601  5837.77    343.616  5772.77    489.675  5900.83    482.303  102.938 4.3920  104.089 4.2780  -1.151306      6.131175  
1 1 1 -13 16  23 o 133.173 3.2204  9645.28    464.506  8821.98    653.078  10488.18   660.812  127.047 4.7460  138.615 4.4015  -11.56794      6.472857  
1 1 1 -13 16  24 o 46.626  4.6008  1201.16    229.317  1323.15    337.453  1096.48    312.580  48.482  6.5977  44.012  6.7745  4.469837       9.456457  
1 1 1 -13 16  25 o 52.055  1.7029  1470.07    96.012   1636.37    106.588  754.607    221.087  54.915  1.7920  36.538  5.7788  18.37715       6.050259  
1 1 1 -13 16  26 o 16.395  6.4738  88.241     169.790  -434.6186  410.971  195.855    186.446  17.396  8.2308  19.792  6.9838  -2.396833      10.79444  
1 1 1 -13 16  27 o 51.758  4.9320  1494.86    273.136  1954.25    480.690  1275.82    331.928  58.054  7.8457  47.193  6.6804  10.86175       10.30449  
1 1 1 -13 16  28 o 96.781  3.1202  5126.33    327.072  5640.78    444.119  4516.64    483.485  101.156 4.0536  89.989  4.9798  11.16714       6.421064  
1 1 1 -13 16  29 f 105.783 3.4324  6153.07    393.262  6028.65    579.686  6259.15    535.278  103.725 5.1599  106.016 4.6616  -2.291611      6.953791  
1 1 1 -13 16  30 o ?       ?       -161.3208  19.925   -152.1839  29.234   -169.2474  27.229   ?       ?       ?       ?       0.000000       ?         
1 1 1 -13 16  31 o 26.210  7.9392  436.145    244.809  772.681    382.533  202.708    318.595  33.577  9.8663  21.543  8.7442  12.03399       13.18351  
1 1 1 -13 16  32 o 22.106  10.800  -657.0921  853.521  -657.0921  853.521  0.0000     0.0000   22.106  10.800  ?       ?       0.000000       10.80019  
1 1 1 -13 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 17  1  o 86.924  2.7112  4092.84    255.251  3985.10    354.841  4208.38    367.450  85.762  3.8200  88.132  3.8494  -2.369446      5.423163  
1 1 1 -13 17  2  o 206.467 3.9169  23097.26   875.917  23716.33   1235.37  22471.40   1242.12  209.166 5.4530  203.596 5.6328  5.570480       7.839885  
1 1 1 -13 17  3  o 416.190 7.0885  93962.15   3195.34  93142.49   3688.69  96426.30   6395.74  414.250 8.2213  420.580 14.040  -6.329529      16.27010  
1 1 1 -13 17  4  o 329.776 5.7447  58962.65   2051.92  60976.16   2368.55  52905.71   4108.02  335.305 6.5219  311.759 12.166  23.54614       13.80377  
1 1 1 -13 17  5  o 411.093 9.8783  91848.20   4398.37  91033.32   6218.36  92664.07   6222.11  408.520 14.054  412.187 13.937  -3.667328      19.79271  
1 1 1 -13 17  6  o 790.876 18.585  343339.00  15920.01 343974.69  22513.08 342703.19  22515.50 786.228 26.437  784.731 26.491  1.496887       37.42562  
1 1 1 -13 17  7  o 370.921 8.9822  74765.02   3608.58  78218.38   5104.42  71314.70   5102.17  378.793 12.442  361.576 13.028  17.21722       18.01464  
1 1 1 -13 17  8  o 210.026 3.9678  23906.01   902.597  22588.38   1041.47  27881.99   1809.15  204.125 4.7106  226.615 7.3708  -22.49011      8.747514  
1 1 1 -13 17  9  o 214.914 4.0603  25034.42   945.124  23199.01   1091.29  30542.41   1890.47  206.848 4.8710  237.153 7.3599  -30.30562      8.825809  
1 1 1 -13 17  10 o 82.564  3.9632  3694.86    354.407  4293.07    512.364  3146.05    490.748  88.805  5.3519  75.906  6.0185  12.89854       8.053877  
1 1 1 -13 17  11 o 292.513 5.1770  46411.82   1640.17  44554.43   1893.93  51983.37   3280.21  286.510 6.1032  308.930 9.8033  -22.42047      11.54784  
1 1 1 -13 17  12 o 255.451 4.6504  35390.04   1286.68  33717.67   1486.56  40384.68   2569.04  249.270 5.5061  272.392 8.7077  -23.12163      10.30251  
1 1 1 -13 17  13 o 48.867  3.5128  1301.03    184.682  1359.98    221.135  1165.10    335.773  49.912  4.1276  45.783  6.9931  4.128620       8.120430  
1 1 1 -13 17  14 o 274.518 4.9212  40888.57   1463.24  40686.34   1690.71  41492.09   2920.74  273.750 5.7022  275.772 9.7785  -2.021545      11.31968  
1 1 1 -13 17  15 o 195.301 3.9127  20682.81   827.654  20828.64   959.000  20257.13   1638.47  195.946 4.5187  192.906 7.8419  3.039963       9.050633  
1 1 1 -13 17  16 o 166.359 4.0626  15010.36   732.015  14592.89   899.391  15829.61   1259.91  163.960 5.0645  170.603 6.8184  -6.643158      8.493546  
1 1 1 -13 17  17 o 188.785 3.7806  19329.63   773.038  19793.06   1100.01  18877.43   1086.59  190.896 5.3202  186.422 5.3815  4.474075       7.567359  
1 1 1 -13 17  18 o 126.928 3.1277  8734.82    429.988  10150.66   626.341  7472.73    591.355  136.763 4.2284  117.318 4.6539  19.44513       6.287877  
1 1 1 -13 17  19 o 201.636 3.9555  22067.13   863.852  21484.86   1226.56  22640.21   1216.84  198.720 5.6987  204.024 5.5066  -5.304382      7.924509  
1 1 1 -13 17  20 o 68.962  3.2261  2580.36    240.970  2595.85    348.111  2566.11    333.898  68.939  4.6900  68.562  4.5217  0.3771591      6.514741  
1 1 1 -13 17  21 o 95.264  2.8272  4924.14    291.717  5126.66    594.314  4859.85    334.828  96.756  5.6962  94.610  3.2675  2.146362       6.566865  
1 1 1 -13 17  22 o 77.771  3.0080  3284.96    253.373  2842.03    481.317  3454.76    298.006  71.734  6.2576  79.720  3.4514  -7.986046      7.146306  
1 1 1 -13 17  23 o 3.9323  1.8125  -14.2870   17.904   -15.4883   17.973   142.853    205.559  3.8879  1.8004  18.995  7.2248  -15.10739      7.445791  
1 1 1 -13 17  24 o 53.137  3.8387  1548.52    219.444  1441.78    474.572  1577.55    247.493  49.851  9.1257  53.550  4.3034  -3.699310      10.08948  
1 1 1 -13 17  25 o 87.892  3.2185  4210.44    306.388  4688.96    625.022  4059.08    351.520  91.713  6.3308  86.196  3.7652  5.516800       7.365888  
1 1 1 -13 17  26 o 100.098 2.9987  5462.56    325.113  5699.95    565.128  5345.12    397.473  101.466 5.1593  98.841  3.7128  2.625420       6.356323  
1 1 1 -13 17  27 o 46.663  4.4803  1211.07    223.654  1417.24    465.470  1149.19    255.022  48.693  9.1620  45.205  5.3097  3.488216       10.58944  
1 1 1 -13 17  28 o 92.340  2.7354  4655.72    273.578  4944.06    481.235  4518.03    332.541  94.404  4.7065  90.769  3.3825  3.635124       5.795885  
1 1 1 -13 17  29 o 59.384  3.9269  1956.32    251.150  2150.87    520.520  1897.28    286.734  60.010  8.2248  58.227  4.5836  1.782654       9.415783  
1 1 1 -13 17  30 f 64.956  3.6678  2341.85    256.994  2290.29    544.492  2356.63    291.507  61.216  8.4362  64.934  4.1668  -3.718273      9.409165  
1 1 1 -13 17  31 o 35.833  6.7453  786.224    252.180  779.460    396.531  790.817    326.778  33.497  10.095  34.676  8.7117  -1.179359      13.33412  
1 1 1 -13 17  32 o 29.660  12.721  663.010    731.820  663.010    731.820  0.0000     0.0000   29.660  12.721  ?       ?       0.000000       12.72073  
1 1 1 -13 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 18  1  o 589.265 9.9487  188672.50  6349.61  193259.20  8979.51  184085.41  8979.90  595.436 13.923  581.037 14.269  14.39893       19.93669  
1 1 1 -13 18  2  o 722.259 11.860  283850.19  9277.49  277029.50  10711.67 304328.69  18560.50 712.907 13.872  742.977 23.065  -30.07007      26.91501  
1 1 1 -13 18  3  o 157.261 3.3097  13398.16   563.745  13752.55   649.393  12314.17   1135.74  159.318 3.7633  150.667 6.9597  8.650696       7.911992  
1 1 1 -13 18  4  o 268.450 4.8604  39060.21   1413.20  40432.13   1630.93  34926.23   2831.09  273.091 5.5139  253.472 10.312  19.61882       11.69382  
1 1 1 -13 18  5  o 513.117 8.6431  142988.59  4803.51  147128.20  5545.96  130558.00  9610.40  520.274 9.8418  487.953 18.184  32.32117       20.67667  
1 1 1 -13 18  6  o 497.527 11.815  134812.00  6366.73  134033.70  9002.24  135590.80  9005.60  494.665 16.802  497.560 16.711  -2.895630      23.69743  
1 1 1 -13 18  7  o 229.192 6.0302  28492.60   1496.94  27576.65   2114.32  29413.19   2119.66  225.286 8.6650  232.689 8.4105  -7.403015      12.07549  
1 1 1 -13 18  8  o 421.249 10.132  96573.35   4622.95  98531.95   6537.15  94613.93   6538.53  424.490 14.218  415.880 14.516  8.609924       20.31925  
1 1 1 -13 18  9  o 286.675 5.9221  44587.88   1838.82  42512.74   2252.55  48733.04   3183.62  279.777 7.4335  299.225 9.8232  -19.44781      12.31874  
1 1 1 -13 18  10 o 86.505  3.9634  4056.09    371.350  4395.35    533.416  3737.03    517.292  89.845  5.5081  82.789  5.8056  7.056145       8.002793  
1 1 1 -13 18  11 o 157.775 3.4159  13490.52   583.724  13319.16   677.696  13983.08   1148.99  156.749 3.9917  160.472 6.6107  -3.722717      7.722342  
1 1 1 -13 18  12 o 17.271  6.0357  143.150    139.047  314.314    171.325  -187.1831  238.007  23.688  6.4870  14.360  6.6152  9.327841       9.265122  
1 1 1 -13 18  13 o 146.163 3.2496  11578.43   514.450  11504.44   596.502  11793.27   1016.40  145.675 3.7806  147.351 6.3685  -1.675705      7.406145  
1 1 1 -13 18  14 o 103.211 2.9578  5772.89    330.647  5979.74    384.543  5186.20    647.626  105.033 3.3802  97.522  6.1630  7.511612       7.029138  
1 1 1 -13 18  15 o 216.049 4.1163  25314.61   963.219  25033.11   1113.41  26152.00   1920.35  214.791 4.7860  219.143 8.0906  -4.352768      9.400182  
1 1 1 -13 18  16 o 133.576 3.2567  9672.25    471.165  9373.89    548.876  10507.84   918.538  131.474 3.8545  139.054 6.0988  -7.580612      7.214705  
1 1 1 -13 18  17 o 174.214 3.6362  16459.41   686.120  15845.44   980.523  17048.47   960.428  170.799 5.3003  177.193 5.0044  -6.393814      7.289520  
1 1 1 -13 18  18 o 159.193 3.5149  13744.65   606.047  12639.41   869.384  14789.47   845.284  152.518 5.2628  165.034 4.7289  -12.51572      7.075287  
1 1 1 -13 18  19 o 175.309 3.2470  16669.33   616.532  15517.75   980.302  17422.88   792.998  168.922 5.3580  179.148 4.0869  -10.22559      6.738746  
1 1 1 -13 18  20 o 146.160 3.2700  11591.96   517.657  10303.37   1024.62  12033.59   599.841  137.156 6.9196  148.875 3.7200  -11.71904      7.856160  
1 1 1 -13 18  21 o 98.102  2.8562  5222.44    303.486  4841.33    528.208  5410.25    370.799  94.095  5.2031  99.806  3.4301  -5.711349      6.231976  
1 1 1 -13 18  22 o 137.520 3.1731  10275.49   472.632  8965.98    929.152  10732.60   548.958  127.551 6.7496  140.478 3.6080  -12.92651      7.653414  
1 1 1 -13 18  23 o 88.624  3.0198  4270.04    289.871  3354.39    532.435  4655.77    345.575  77.784  6.3759  92.486  3.4498  -14.70240      7.249371  
1 1 1 -13 18  24 o 58.523  2.4227  1860.45    153.564  1869.15    191.169  1844.61    257.836  58.533  3.0257  57.962  4.1341  0.5707016      5.123115  
1 1 1 -13 18  25 o 123.489 3.2279  8312.70    431.734  9176.40    872.792  8032.90    496.767  128.587 6.2668  121.245 3.7829  7.342026       7.320017  
1 1 1 -13 18  26 o 78.702  3.3228  3382.34    283.244  3327.00    578.904  3399.76    324.773  76.667  7.0505  78.803  3.8051  -2.135635      8.011775  
1 1 1 -13 18  27 o 28.315  6.7142  469.249    202.788  1060.51    425.164  295.128    230.724  41.786  9.5964  23.209  7.7847  18.57721       12.35686  
1 1 1 -13 18  28 o 46.748  4.5399  1221.10    226.969  649.667    473.329  1391.73    258.645  32.783  11.149  49.829  4.8540  -17.04531      12.16010  
1 1 1 -13 18  29 o 54.909  4.1108  1677.82    242.705  2263.98    504.920  1501.69    276.778  61.924  7.6940  51.590  5.0167  10.33390       9.185089  
1 1 1 -13 18  30 o 17.620  7.1499  99.531     212.953  75.632     439.290  106.872    243.474  22.507  9.7550  18.591  7.6064  3.915529       12.37001  
1 1 1 -13 18  31 o 30.680  6.7870  582.694    219.554  874.561    470.340  501.377    248.262  34.626  11.087  27.941  7.8687  6.685198       13.59529  
1 1 1 -13 18  32 o 21.361  8.3934  248.081    284.106  0.0000     0.0000   248.081    284.106  ?       ?       21.361  8.3934  0.000000       8.393391  
1 1 1 -13 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 19  1  o 193.698 3.8433  20328.91   806.297  18212.35   1207.69  22031.07   1083.03  183.266 6.0842  201.610 4.9597  -18.34338      7.849575  
1 1 1 -13 19  2  o 244.819 4.5212  32481.77   1198.86  32856.82   1382.94  31347.54   2404.94  246.200 5.1862  240.233 9.2427  5.966766       10.59831  
1 1 1 -13 19  3  o 673.146 10.920  246436.80  7961.28  233702.50  9191.62  284682.09  15929.17 654.957 12.957  719.687 20.435  -64.72980      24.19683  
1 1 1 -13 19  4  o 419.801 7.0455  95615.43   3203.53  92566.54   3697.86  104787.10  6413.61  412.911 8.2684  438.397 13.507  -25.48575      15.83704  
1 1 1 -13 19  5  o 413.062 6.8850  92571.27   3080.26  87986.72   3555.45  106366.20  6167.45  402.553 8.1546  441.745 12.890  -39.19189      15.25313  
1 1 1 -13 19  6  f 398.060 6.6742  85969.91   2877.50  83005.58   3321.27  94892.63   5762.20  390.998 7.8426  417.177 12.753  -26.17960      14.97111  
1 1 1 -13 19  7  o 309.924 7.6660  52156.08   2573.30  49775.50   3636.75  54543.11   3641.67  302.327 11.106  316.550 10.622  -14.22287      15.36767  
1 1 1 -13 19  8  o 485.621 13.580  128876.00  7142.62  130955.90  8524.28  123973.90  13086.49 488.628 16.107  470.157 25.797  18.47086       30.41258  
1 1 1 -13 19  9  o 211.139 5.6924  24183.78   1301.76  24570.54   1842.28  23798.12   1839.67  212.642 7.9990  209.263 8.1167  3.379639       11.39580  
1 1 1 -13 19  10 o 192.273 6.0524  20062.57   1260.41  20017.00   1590.74  20139.45   2066.01  191.934 7.6520  192.043 9.9669  -0.1088562     12.56551  
1 1 1 -13 19  11 o 248.843 4.5746  33578.33   1232.96  33555.15   1425.12  33647.32   2458.61  248.702 5.2906  248.613 9.1305  0.8891296E-01  10.55257  
1 1 1 -13 19  12 o 146.429 3.3109  11620.28   525.102  11231.52   609.408  12741.01   1034.71  143.937 3.9090  153.182 6.2365  -9.244415      7.360310  
1 1 1 -13 19  13 o 242.425 4.4399  31873.31   1165.80  32757.19   1348.79  29262.66   2318.05  245.710 5.0682  231.726 9.2359  13.98392       10.53508  
1 1 1 -13 19  14 o 166.373 3.5006  15004.69   630.801  14714.38   730.810  15853.00   1249.26  164.726 4.0961  170.786 6.7535  -6.059814      7.898605  
1 1 1 -13 19  15 o 281.440 5.0699  42990.18   1545.47  42352.14   1785.33  44897.67   3086.92  279.235 5.9031  286.721 9.9402  -7.486450      11.56088  
1 1 1 -13 19  16 o 77.476  3.2411  3253.88    271.971  3320.59    325.768  3100.43    494.077  78.250  3.8437  75.286  6.1119  2.964111       7.220089  
1 1 1 -13 19  17 o 138.476 3.1872  10395.97   478.022  10960.45   684.086  9857.34    668.244  142.112 4.4444  134.762 4.5782  7.349792       6.380641  
1 1 1 -13 19  18 o 117.949 3.0311  7542.52    387.230  6949.47    761.297  7749.50    449.757  112.839 6.2535  119.535 3.4739  -6.695786      7.153617  
1 1 1 -13 19  19 o 27.268  5.7479  419.839    164.409  568.973    299.697  355.637    196.639  31.707  8.5370  25.163  6.9737  6.544617       11.02331  
1 1 1 -13 19  20 o 100.701 2.9995  5501.17    327.157  4802.02    629.162  5760.27    383.010  93.615  6.2408  103.018 3.4326  -9.402969      7.122548  
1 1 1 -13 19  21 o 94.396  2.9343  4836.12    300.004  4358.34    583.576  5007.74    349.760  89.091  6.0841  96.024  3.3630  -6.932991      6.951700  
1 1 1 -13 19  22 o 201.023 3.9124  21997.32   851.840  21092.23   1696.42  22302.47   985.029  195.245 8.0220  202.246 4.4967  -7.001480      9.196395  
1 1 1 -13 19  23 o 37.058  4.5448  761.296    178.594  765.787    307.258  759.004    219.476  36.426  8.0063  36.766  5.6958  -0.3398552     9.825635  
1 1 1 -13 19  24 o 102.365 3.1019  5703.35    343.909  5631.55    706.960  5725.60    393.622  100.661 6.5193  102.485 3.5461  -1.824013      7.421329  
1 1 1 -13 19  25 o 152.773 3.4405  12735.82   569.297  13940.69   1145.07  12340.21   656.135  158.186 6.6833  150.168 4.0341  8.017197       7.806462  
1 1 1 -13 19  26 o 60.596  3.7227  2016.88    243.142  2869.82    504.262  1758.51    277.535  71.343  6.6006  56.355  4.5867  14.98838       8.037805  
1 1 1 -13 19  27 o 25.703  1.9666  361.151    54.335   351.524    55.755   542.895    242.248  25.346  2.0485  30.316  7.4344  -4.970158      7.711430  
1 1 1 -13 19  28 o 33.235  6.1206  640.620    212.207  604.470    446.299  651.180    241.219  31.774  10.826  33.245  6.9240  -1.470203      12.85099  
1 1 1 -13 19  29 o 36.008  2.0132  708.084    78.200   699.471    82.406   786.076    247.967  35.768  2.1369  36.632  6.4872  -0.8637085     6.830107  
1 1 1 -13 19  30 o 18.562  7.2759  142.365    213.023  554.234    441.960  17.722     243.130  29.845  10.729  16.932  7.2980  12.91281       12.97548  
1 1 1 -13 19  31 o ?       ?       -114.9921  27.597   41.681     446.760  -115.5922  27.650   21.426  9.5404  ?       ?       0.000000       9.540439  
1 1 1 -13 19  32 o 18.317  8.3760  -72.6661   372.066  0.0000     0.0000   -72.6661   372.066  ?       ?       18.317  8.3760  0.000000       8.375957  
1 1 1 -13 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 20  1  o 142.338 3.1674  10975.86   488.302  11033.90   561.141  10794.80   991.054  142.706 3.6305  141.077 6.4859  1.628281       7.432831  
1 1 1 -13 20  2  o 687.921 11.276  257464.41  8401.72  247860.91  9700.22  286304.50  16809.92 674.370 13.280  721.062 21.524  -46.69238      25.29136  
1 1 1 -13 20  3  f 276.224 5.2937  41363.38   1583.77  41878.05   1705.79  38147.04   4264.20  277.917 5.6668  263.895 14.981  14.02203       16.01663  
1 1 1 -13 20  4  o 183.339 3.6265  18212.46   720.134  18347.92   829.817  17799.26   1449.33  184.005 4.1637  181.103 7.3888  2.901749       8.481202  
1 1 1 -13 20  5  o 517.095 8.4178  145220.41  4714.54  138197.50  5442.56  166329.50  9435.90  504.146 9.9673  551.412 15.799  -47.26605      18.68055  
1 1 1 -13 20  6  o 256.130 4.6074  35559.95   1278.15  34824.05   1474.05  37789.83   2565.92  253.424 5.3702  263.700 8.9839  -10.27530      10.46658  
1 1 1 -13 20  7  o 438.562 7.3342  104422.20  3483.78  102507.30  4021.76  110177.70  6972.59  434.327 8.5493  448.900 14.341  -14.57260      16.69581  
1 1 1 -13 20  8  o 297.134 7.4193  47945.74   2387.73  46319.96   3375.05  49574.81   3378.46  291.619 10.685  301.746 10.337  -10.12738      14.86738  
1 1 1 -13 20  9  o 372.671 9.0079  75542.76   3635.94  70605.49   5140.09  80487.38   5143.92  359.385 13.205  383.932 12.370  -24.54611      18.09392  
1 1 1 -13 20  10 o 298.493 7.4681  48407.78   2414.42  47832.93   3414.87  48982.38   3414.14  296.222 10.644  299.784 10.515  -3.561615      14.96154  
1 1 1 -13 20  11 o 169.769 4.9718  15633.02   914.206  14972.48   1296.41  16286.43   1289.39  165.999 7.2105  173.156 6.8750  -7.156815      9.962814  
1 1 1 -13 20  12 o 279.283 5.0544  42314.95   1528.91  40622.33   1766.56  47366.95   3051.98  273.546 5.9625  294.818 9.5578  -21.27185      11.26511  
1 1 1 -13 20  13 o 180.652 3.8781  17693.34   758.813  17678.23   834.023  17765.98   1828.47  180.553 4.2648  180.291 9.3962  0.2621002      10.31875  
1 1 1 -13 20  14 o 129.811 3.1711  9133.04    445.860  8953.58    519.642  9633.85    868.065  128.510 3.7333  133.184 6.0177  -4.673843      7.081720  
1 1 1 -13 20  15 f 65.876  3.2898  2352.35    234.726  2543.08    278.888  1889.04    434.659  68.380  3.7802  58.526  6.9956  9.854462       7.951623  
1 1 1 -13 20  16 o 144.969 3.3594  11393.64   527.484  10737.29   613.187  13261.74   1034.49  140.699 4.0238  156.208 6.1144  -15.50908      7.319587  
1 1 1 -13 20  17 o 106.079 2.9429  6099.75    338.127  5341.20    661.300  6368.26    393.446  98.911  6.2042  108.374 3.3519  -9.462723      7.051802  
1 1 1 -13 20  18 o 125.966 3.0764  8603.31    419.723  7186.52    827.151  9094.61    487.092  114.681 6.6882  129.492 3.4729  -14.81033      7.536151  
1 1 1 -13 20  19 o 170.283 3.5473  15733.37   654.249  15876.36   1300.71  15684.93   756.980  170.573 7.0404  169.965 4.1120  0.6084290      8.153296  
1 1 1 -13 20  20 o 250.638 4.5815  34160.22   1243.72  31185.50   2481.71  35157.93   1437.24  237.812 9.6349  254.116 5.2219  -16.30370      10.95895  
1 1 1 -13 20  21 o 91.873  2.7563  4580.10    274.278  4349.35    466.424  4702.08    339.105  89.215  4.8451  93.043  3.3650  -3.828194      5.899012  
1 1 1 -13 20  22 o 151.193 3.3205  12426.83   543.756  11405.29   1071.57  12781.09   631.037  143.949 6.8729  153.242 3.8019  -9.293686      7.854418  
1 1 1 -13 20  23 o 145.829 3.2718  11571.30   516.776  10694.83   1020.68  11873.43   599.262  139.125 6.7736  147.612 3.7482  -8.487717      7.741450  
1 1 1 -13 20  24 o 39.553  4.8782  870.391    204.557  674.353    434.914  926.077    231.796  34.187  10.624  40.702  5.3907  -6.514915      11.91350  
1 1 1 -13 20  25 o 58.235  3.7895  1861.54    237.723  1647.05    489.608  1927.69    271.927  53.212  8.8029  59.160  4.2725  -5.947929      9.784970  
1 1 1 -13 20  26 o 25.486  6.9782  376.880    198.273  595.949    416.871  312.835    225.399  32.042  10.453  23.731  7.6830  8.310518       12.97304  
1 1 1 -13 20  27 o 47.507  4.5624  1256.94    231.870  1594.21    467.423  1146.85    267.042  51.921  8.6138  45.045  5.5939  6.875935       10.27083  
1 1 1 -13 20  28 o 98.687  3.2406  5337.45    346.380  5799.79    706.472  5191.14    397.427  100.903 6.4988  97.118  3.7782  3.785110       7.517301  
1 1 1 -13 20  29 o 23.960  1.0816  311.391    28.069   318.101    28.289   -115.4434  225.634  24.217  1.0785  14.420  6.5663  9.797006       6.654263  
1 1 1 -13 20  30 o 35.735  6.1309  752.815    228.747  888.970    470.763  710.732    261.721  36.229  11.017  34.160  7.2955  2.069183       13.21391  
1 1 1 -13 20  31 o 49.400  2.6480  1348.18    141.165  1207.61    163.498  1759.89    279.808  46.505  3.2667  55.334  4.7137  -8.829090      5.734962  
1 1 1 -13 20  32 o 20.306  8.9356  85.783     380.828  0.0000     0.0000   85.783     380.828  ?       ?       20.306  8.9356  0.000000       8.935633  
1 1 1 -13 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 21  1  o 334.037 6.3316  60517.80   2290.77  61430.14   2457.41  54467.16   6328.51  336.512 6.7423  314.556 18.659  21.95590       19.83937  
1 1 1 -13 21  2  o 379.789 6.4889  78237.52   2669.22  78823.11   3080.99  76475.50   5344.45  381.110 7.4640  374.562 13.174  6.548004       15.14125  
1 1 1 -13 21  3  o 273.394 5.2683  40521.27   1560.02  41295.21   1680.51  35697.37   4195.51  275.972 5.6222  255.158 15.251  20.81407       16.25427  
1 1 1 -13 21  4  o 306.617 5.3367  50971.50   1772.31  50610.80   2045.20  52059.09   3551.36  305.471 6.1815  309.354 10.599  -3.882568      12.26999  
1 1 1 -13 21  5  o 193.532 3.7605  20295.59   788.258  20475.66   908.648  19747.91   1584.67  194.370 4.3161  190.723 7.6712  3.646393       8.802095  
1 1 1 -13 21  6  o 193.956 3.7726  20385.64   792.535  20099.76   913.035  21259.33   1596.16  192.570 4.3775  197.887 7.4472  -5.316360      8.638458  
1 1 1 -13 21  7  o 301.076 5.2750  49155.79   1720.17  48517.97   1985.09  51078.48   3446.56  299.047 6.1287  306.319 10.388  -7.272003      12.06139  
1 1 1 -13 21  8  o 472.550 7.8671  121317.40  4026.54  118092.00  4648.75  131005.00  8056.73  465.951 9.2114  488.924 15.214  -22.97324      17.78539  
1 1 1 -13 21  9  o 399.754 9.5999  86981.66   4156.52  81171.83   5876.38  92798.68   5880.02  385.052 14.090  411.986 13.177  -26.93414      19.29193  
1 1 1 -13 21  10 o 187.108 5.2526  18990.41   1064.48  19021.83   1507.46  18959.17   1503.35  187.109 7.4384  186.801 7.4304  0.3077545      10.51382  
1 1 1 -13 21  11 o 189.021 5.3063  19384.71   1086.35  18692.78   1538.98  20071.88   1533.69  185.433 7.6626  192.179 7.3682  -6.746277      10.63043  
1 1 1 -13 21  12 o 153.575 4.9725  12794.83   827.125  13440.78   1088.03  11910.44   1273.12  157.316 6.3855  147.758 7.9847  9.557587       10.22405  
1 1 1 -13 21  13 o 244.363 4.5593  32388.48   1206.70  31272.33   1395.52  35696.23   2402.37  240.043 5.3676  256.015 8.6637  -15.97218      10.19169  
1 1 1 -13 21  14 o 196.021 3.8744  20834.13   822.583  20942.63   953.785  20519.12   1625.15  196.491 4.4817  194.182 7.7270  2.308228       8.932646  
1 1 1 -13 21  15 o 141.519 3.3321  10856.51   510.742  10493.04   594.052  11886.66   1000.08  139.103 3.9429  147.902 6.2430  -8.798752      7.383874  
1 1 1 -13 21  16 o 205.004 3.9210  22793.83   870.622  21586.72   1233.98  23990.28   1228.53  199.334 5.7155  210.175 5.3968  -10.84081      7.860817  
1 1 1 -13 21  17 o 25.528  6.6551  367.737    185.898  630.867    284.503  171.695    245.570  33.352  7.9823  20.937  7.9127  12.41466       11.23952  
1 1 1 -13 21  18 o 58.604  3.2829  1868.32    207.539  2010.84    393.591  1813.43    244.255  60.489  6.0904  57.676  3.9335  2.812923       7.250228  
1 1 1 -13 21  19 o 202.815 3.9339  22330.51   864.161  20815.70   1721.35  22840.93   999.198  195.035 8.1487  205.043 4.4992  -10.00757      9.308258  
1 1 1 -13 21  20 o 64.257  2.4640  2238.83    171.488  2288.59    229.616  2176.07    257.878  64.854  3.2795  63.185  3.7856  1.669098       5.008584  
1 1 1 -13 21  21 o 76.508  2.9722  3177.49    246.292  3101.26    473.846  3205.70    288.295  75.105  5.8718  76.814  3.4652  -1.709709      6.817994  
1 1 1 -13 21  22 o 90.979  3.0062  4496.91    296.234  4514.88    582.657  4490.65    344.014  90.544  5.9749  90.864  3.4955  -0.3199387     6.922277  
1 1 1 -13 21  23 o 27.822  5.9769  441.774    174.741  476.635    322.490  427.285    207.907  29.182  9.1616  27.277  7.0017  1.904736       11.53079  
1 1 1 -13 21  24 o 64.928  2.0862  2288.33    146.711  2480.13    232.254  2160.98    189.249  67.489  3.1773  63.038  2.7718  4.451015       4.216380  
1 1 1 -13 21  25 o 38.120  2.0473  791.398    84.220   1164.67    436.174  776.943    85.835   44.356  9.3726  37.763  2.1070  6.592915       9.606494  
1 1 1 -13 21  26 o 78.878  2.4492  3385.25    209.240  3283.07    348.226  3442.99    261.765  77.225  4.1788  79.447  3.0420  -2.221771      5.168810  
1 1 1 -13 21  27 o 29.465  6.8159  509.316    213.194  539.563    434.116  499.703    244.741  30.725  10.669  29.041  7.6677  1.684208       13.13840  
1 1 1 -13 21  28 o 69.607  3.5601  2669.09    267.498  3298.13    552.883  2476.83    305.655  75.770  6.8097  66.806  4.2463  8.964233       8.025109  
1 1 1 -13 21  29 o 24.073  8.0392  332.318    246.049  399.315    440.543  301.944    296.625  27.637  10.561  23.945  8.7625  3.692675       13.72305  
1 1 1 -13 21  30 f 59.848  4.0861  2005.32    263.287  2364.84    535.614  1890.77    302.336  62.196  8.1468  57.705  4.8832  4.491375       9.498191  
1 1 1 -13 21  31 o 27.903  0.9770  422.667    29.526   434.486    29.766   -298.8882  232.581  28.291  0.9714  12.245  5.9000  16.04638       5.979441  
1 1 1 -13 21  32 o 23.329  9.6401  291.727    396.035  0.0000     0.0000   291.727    396.035  ?       ?       23.329  9.6401  0.000000       9.640054  
1 1 1 -13 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 22  1  o 332.718 5.7527  60027.89   2073.09  59431.30   2392.19  61827.30   4154.55  330.986 6.6729  337.034 11.381  -6.047699      13.19299  
1 1 1 -13 22  2  o 132.547 2.9771  9517.73    427.404  9009.43    490.641  11117.14   870.328  128.951 3.5129  143.189 5.6118  -14.23792      6.620676  
1 1 1 -13 22  3  o 376.590 6.9349  76950.80   2828.67  77199.45   3356.48  76341.37   5254.72  377.051 8.2189  374.199 12.965  2.851837       15.35071  
1 1 1 -13 22  4  o 368.113 6.3791  73508.02   2543.37  75011.39   2935.85  68985.87   5091.85  371.762 7.2912  355.625 13.219  16.13724       15.09686  
1 1 1 -13 22  5  o 224.836 4.2248  27397.45   1028.82  28027.99   1186.82  25490.89   2063.72  227.382 4.8190  216.592 8.7971  10.79033       10.03050  
1 1 1 -13 22  6  o 48.001  3.1312  1253.69    161.903  1156.99    180.699  1647.30    364.578  46.063  3.6518  54.748  6.2608  -8.684917      7.248003  
1 1 1 -13 22  7  o 78.550  2.5209  3342.48    214.471  3272.60    275.055  3450.87    342.548  77.716  3.2677  79.795  3.9635  -2.078773      5.136809  
1 1 1 -13 22  8  o 195.459 3.8097  20705.30   806.524  20842.41   930.278  20290.36   1618.35  196.081 4.3803  193.260 7.7315  2.820557       8.886108  
1 1 1 -13 22  9  f 270.750 4.8007  39750.36   1407.81  37511.70   1624.52  46502.28   2821.26  262.946 5.7041  292.381 8.9089  -29.43549      10.57852  
1 1 1 -13 22  10 o 68.933  4.0777  2584.91    303.094  2588.77    436.229  2581.30    421.434  68.814  5.9102  68.736  5.7125  0.7863617E-01  8.219687  
1 1 1 -13 22  11 o 65.647  4.2062  2346.13    297.500  2014.14    431.959  2645.70    410.332  60.528  6.7014  69.611  5.4868  -9.083282      8.661045  
1 1 1 -13 22  12 o 152.824 4.7187  12668.07   781.055  11941.80   1110.33  13379.48   1098.92  148.243 6.9152  156.947 6.4646  -8.703629      9.466314  
1 1 1 -13 22  13 o 154.198 4.7270  12898.41   789.474  12915.44   1125.78  12881.92   1107.42  154.164 6.7422  153.972 6.6405  0.1922150      9.463254  
1 1 1 -13 22  14 o 276.831 6.9285  41665.29   2077.41  44202.61   2948.85  39165.30   2927.08  284.630 9.5654  267.809 10.091  16.82114       13.90420  
1 1 1 -13 22  15 o 379.319 6.5170  78213.34   2677.46  77647.68   3787.68  78778.30   3785.32  377.223 9.2706  379.982 9.1975  -2.758972      13.05898  
1 1 1 -13 22  16 o 26.232  6.6262  388.801    188.320  420.205    299.295  368.220    242.295  27.959  8.8326  25.955  7.9065  2.004114       11.85438  
1 1 1 -13 22  17 o 109.319 3.1424  6479.06    372.074  6544.03    544.379  6422.09    509.715  109.798 4.5776  108.784 4.3261  1.014160       6.298358  
1 1 1 -13 22  18 o 216.799 4.0990  25510.76   962.513  22586.03   1915.38  26498.84   1113.29  203.200 8.7028  220.887 4.6534  -17.68608      9.868802  
1 1 1 -13 22  19 o 98.165  2.9637  5226.01    315.104  4803.96    613.774  5377.06    367.187  93.710  6.0800  99.550  3.4054  -5.840950      6.968788  
1 1 1 -13 22  20 o 70.411  3.1131  2690.34    237.409  2665.18    444.432  2700.38    280.836  69.645  5.9489  70.417  3.6951  -0.7722321     7.003055  
1 1 1 -13 22  21 o 149.930 3.3264  12210.79   540.169  11182.58   1079.31  12554.40   623.933  142.739 6.9812  151.955 3.7910  -9.216446      7.944118  
1 1 1 -13 22  22 o 33.622  4.9420  630.477    174.598  600.705    334.840  641.594    204.618  32.365  9.1466  33.752  5.8067  -1.387211      10.83412  
1 1 1 -13 22  23 o 38.192  2.0463  793.708    84.341   773.661    91.097   914.033    223.179  37.687  2.2419  40.510  5.2070  -2.823509      5.669118  
1 1 1 -13 22  24 o 73.171  3.2425  2916.25    256.971  3126.89    539.932  2854.57    292.185  74.777  6.7390  72.229  3.7478  2.548294       7.710993  
1 1 1 -13 22  25 o 39.099  5.1955  856.918    214.575  656.030    432.852  922.369    247.070  33.534  10.625  40.427  5.8096  -6.892303      12.10959  
1 1 1 -13 22  26 o 102.159 3.2270  5698.72    357.065  5392.94    713.262  5800.98    412.471  97.814  6.7742  102.939 3.6995  -5.124947      7.718575  
1 1 1 -13 22  27 o 73.499  2.7673  2947.44    220.292  2525.08    557.427  3025.61    239.814  65.874  7.9752  74.424  2.9750  -8.549301      8.512025  
1 1 1 -13 22  28 o 39.646  1.7653  854.334    75.804   877.039    79.749   641.740    244.027  40.163  1.8333  32.914  7.0570  7.249054       7.291259  
1 1 1 -13 22  29 o 35.609  5.8171  734.253    216.609  901.887    460.876  686.726    245.401  37.287  10.793  33.996  6.9005  3.291565       12.81077  
1 1 1 -13 22  30 o 54.293  4.3664  1661.06    254.597  1831.39    519.665  1607.27    292.048  53.673  9.2746  53.002  5.1525  0.6709404      10.60973  
1 1 1 -13 22  31 o 31.636  2.0376  550.073    69.447   541.948    71.272   702.633    308.831  31.384  2.1089  32.388  8.6430  -1.004025      8.896531  
1 1 1 -13 22  32 o 33.337  10.528  843.364    425.243  0.0000     0.0000   843.364    425.243  ?       ?       33.337  10.528  0.000000       10.52790  
1 1 1 -13 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 23  1  o 574.914 10.607  179815.50  6604.62  186779.30  7852.00  162970.50  12212.23 585.458 12.383  543.844 20.732  41.61340       24.14880  
1 1 1 -13 23  2  o 452.148 7.8413  110991.70  3840.06  114366.60  4433.10  100848.30  7685.44  458.802 8.9210  429.146 16.535  29.65582       18.78765  
1 1 1 -13 23  3  o 130.736 3.0820  9259.77    436.414  9456.71    501.109  8641.36    887.981  132.111 3.5021  126.040 6.5270  6.071335       7.407207  
1 1 1 -13 23  4  o 220.947 4.3679  26458.87   1045.27  27142.24   1133.93  22594.61   2696.46  223.768 4.6786  203.232 12.308  20.53569       13.16715  
1 1 1 -13 23  5  o 389.640 6.6045  82380.18   2787.24  81367.86   3217.23  85426.22   5580.72  387.106 7.6733  395.657 13.023  -8.551117      15.11524  
1 1 1 -13 23  6  o 99.708  2.8573  5386.06    308.573  5766.46    353.917  4180.30    630.100  103.165 3.1674  87.510  6.6987  15.65483       7.409826  
1 1 1 -13 23  7  o 169.060 3.4659  15487.68   634.644  15475.31   730.728  15525.67   1280.37  168.976 3.9927  169.109 6.9904  -0.1334381     8.050245  
1 1 1 -13 23  8  o 243.911 4.4681  32253.04   1180.38  32169.54   1362.04  32504.92   2365.69  243.552 5.1633  244.470 8.9343  -0.9178467     10.31903  
1 1 1 -13 23  9  o 210.914 3.9976  24112.84   913.215  22634.86   1053.51  28579.81   1831.53  204.309 4.7608  229.369 7.3724  -25.06021      8.775965  
1 1 1 -13 23  10 o 178.827 4.2089  17337.50   815.224  17609.95   1001.44  16802.25   1403.64  180.179 5.1316  175.845 7.3698  4.333511       8.980356  
1 1 1 -13 23  11 o 188.474 4.3232  19261.37   882.516  18138.36   1081.34  21501.37   1527.19  182.829 5.4607  198.922 7.0883  -16.09285      8.947798  
1 1 1 -13 23  12 o 282.998 7.1697  43532.77   2197.62  41629.02   3109.39  45432.88   3106.41  276.179 10.395  288.617 9.9373  -12.43835      14.38054  
1 1 1 -13 23  13 o 230.639 6.1420  28891.12   1534.31  26630.71   2173.48  31136.43   2166.21  221.053 9.0780  239.137 8.3634  -18.08395      12.34325  
1 1 1 -13 23  14 o 214.593 5.8762  25009.82   1365.78  23981.62   1945.29  26009.37   1918.00  209.800 8.5607  218.558 8.1023  -8.758514      11.78702  
1 1 1 -13 23  15 o 260.415 6.7727  36877.91   1910.29  34530.30   2707.45  39205.19   2695.71  251.393 9.9435  268.022 9.2861  -16.62888      13.60531  
1 1 1 -13 23  16 o 94.354  3.6306  4827.72    371.035  5037.53    470.552  4482.85    603.290  96.348  4.5092  90.599  6.1850  5.749329       7.654171  
1 1 1 -13 23  17 o 127.722 3.3039  8845.27    457.056  8989.93    666.672  8716.97    627.826  128.675 4.7835  126.720 4.5743  1.954498       6.618615  
1 1 1 -13 23  18 o 104.135 3.0656  5880.14    345.768  6059.58    715.492  5825.46    394.948  105.310 6.3018  103.629 3.5188  1.681213       7.217649  
1 1 1 -13 23  19 o 292.947 5.1376  46680.80   1630.12  39644.32   3252.74  49040.77   1883.76  267.750 11.216  300.080 5.7959  -32.33005      12.62530  
1 1 1 -13 23  20 o 22.272  6.3186  277.858    159.475  436.025    319.050  225.180    184.126  28.441  9.1338  20.863  6.9541  7.578064       11.47976  
1 1 1 -13 23  21 o 67.106  3.1147  2445.51    226.384  2014.24    451.338  2590.49    261.682  60.163  7.0605  68.951  3.5157  -8.787807      7.887352  
1 1 1 -13 23  22 o 197.942 3.8686  21338.85   829.400  19838.14   1653.13  21843.68   958.807  189.076 8.0724  200.096 4.4241  -11.02063      9.205210  
1 1 1 -13 23  23 o 83.197  2.6690  3761.02    240.504  3529.67    526.138  3822.13    270.408  79.805  6.1339  83.835  2.9780  -4.030220      6.818572  
1 1 1 -13 23  24 o 87.067  3.1144  4127.69    293.691  4778.15    610.834  3932.11    334.947  92.772  6.1133  84.894  3.6427  7.877747       7.116348  
1 1 1 -13 23  25 o 23.803  7.0177  323.054    193.247  29.944     406.595  408.587    219.641  22.227  9.5059  26.565  7.3731  -4.338444      12.03012  
1 1 1 -13 23  26 o 20.513  7.2761  211.019    202.636  386.529    412.464  155.181    232.648  27.845  10.309  19.801  7.6473  8.043427       12.83554  
1 1 1 -13 23  27 o 38.166  5.2979  824.936    213.100  835.485    447.225  821.838    242.385  36.696  10.635  37.827  6.1256  -1.130997      12.27329  
1 1 1 -13 23  28 o 69.481  2.6599  2636.52    200.173  2324.30    546.017  2685.00    215.153  62.609  8.2531  70.077  2.8347  -7.468204      8.726336  
1 1 1 -13 23  29 o 46.695  4.6217  1226.70    230.678  1050.28    487.045  1277.72    261.918  40.071  10.923  47.443  5.1813  -7.371723      12.08923  
1 1 1 -13 23  30 f 43.857  5.1137  1105.11    238.344  971.319    488.551  1146.91    273.042  37.395  11.191  44.321  5.8293  -6.925941      12.61780  
1 1 1 -13 23  31 o 26.899  8.0873  473.783    254.726  -77.0337   465.063  709.849    304.456  20.338  9.3238  32.605  8.5251  -12.26641      12.63367  
1 1 1 -13 23  32 o 26.163  10.113  466.806    407.093  0.0000     0.0000   466.806    407.093  ?       ?       26.163  10.113  0.000000       10.11268  
1 1 1 -13 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 24  1  o 210.066 3.8570  23912.43   877.563  22975.36   1010.69  26783.20   1769.01  205.884 4.5324  222.134 7.3527  -16.25009      8.637382  
1 1 1 -13 24  2  o 642.788 10.662  224836.30  7423.00  225700.80  8570.24  222240.00  14851.69 643.513 12.296  634.345 21.616  9.167480       24.86874  
1 1 1 -13 24  3  o 225.184 4.1687  27481.65   1016.74  27115.26   1172.10  28595.52   2043.65  223.649 4.8387  229.454 8.2232  -5.804581      9.541165  
1 1 1 -13 24  4  o 228.365 4.5465  28268.48   1124.54  27544.91   1218.00  32447.84   2927.26  225.403 4.9890  244.110 11.071  -18.70761      12.14365  
1 1 1 -13 24  5  o 135.842 3.0540  9997.69    449.334  9894.69    516.393  10318.81   911.787  135.131 3.5282  137.917 6.1039  -2.785828      7.050231  
1 1 1 -13 24  6  o 240.208 5.6347  31296.41   1465.97  30793.65   1642.06  33270.70   3253.98  238.220 6.3642  246.964 12.165  -8.744263      13.72912  
1 1 1 -13 24  7  o 219.425 4.1183  26097.27   978.747  26488.53   1128.60  24910.42   1965.65  221.034 4.7142  214.073 8.4776  6.960876       9.700229  
1 1 1 -13 24  8  o 496.657 9.0293  134182.09  4857.12  133700.59  5188.01  137599.70  13821.70 495.604 9.6649  494.435 25.900  1.169647       27.64430  
1 1 1 -13 24  9  o 268.741 5.2606  39175.32   1531.23  38548.40   1650.96  43033.39   4095.59  266.543 5.7187  280.403 13.485  -13.85980      14.64786  
1 1 1 -13 24  10 o 102.263 3.4265  5667.67    379.522  5624.95    468.624  5749.10    646.965  101.857 4.2478  102.757 5.8370  -0.9006271     7.219077  
1 1 1 -13 24  11 o 266.732 5.5426  38609.59   1601.25  38048.34   1961.22  39731.75   2773.18  264.642 6.8422  270.039 9.4816  -5.397217      11.69262  
1 1 1 -13 24  12 o 238.100 4.4452  30745.68   1146.37  30162.40   1325.15  32480.41   2285.30  235.769 5.1893  244.237 8.6390  -8.468231      10.07771  
1 1 1 -13 24  13 o 141.241 3.7904  10815.50   579.842  10548.38   1005.09  10948.75   709.885  139.323 6.6606  142.070 4.6133  -2.746948      8.102251  
1 1 1 -13 24  14 o 117.414 4.4177  7478.04    561.804  7049.28    829.226  7841.83    763.819  113.674 6.7656  120.161 5.8689  -6.486732      8.956455  
1 1 1 -13 24  15 o 237.304 6.1990  30603.93   1593.30  31777.15   2261.47  29447.59   2245.14  241.410 8.6490  232.342 8.9217  9.067810       12.42585  
1 1 1 -13 24  16 o 183.835 5.4234  18357.83   1079.88  16447.49   1545.49  20180.21   1509.49  173.666 8.2164  192.515 7.2393  -18.84958      10.95067  
1 1 1 -13 24  17 o 177.753 5.2405  17165.59   1008.92  15602.86   1436.64  18686.37   1417.23  169.136 7.8422  185.220 7.0645  -16.08362      10.55500  
1 1 1 -13 24  18 o 81.160  3.1253  3571.99    274.731  3457.51    571.201  3606.44    313.356  79.377  6.7067  81.534  3.5484  -2.157364      7.587561  
1 1 1 -13 24  19 o 169.244 3.5479  15545.93   650.359  16525.02   1302.92  15221.04   750.546  173.960 6.9151  167.400 4.1395  6.560333       8.059439  
1 1 1 -13 24  20 f 126.425 3.1725  8675.65    434.408  9744.06    894.725  8346.11    496.907  133.556 6.1852  123.949 3.7014  9.606354       7.208139  
1 1 1 -13 24  21 o 148.288 3.3007  11947.04   530.123  11921.78   1059.72  11955.47   612.234  147.406 6.6375  148.260 3.8126  -0.8541565     7.654613  
1 1 1 -13 24  22 o 131.167 3.1505  9353.46    447.589  8703.70    878.627  9581.17    520.139  125.589 6.4813  132.673 3.6197  -7.083176      7.423590  
1 1 1 -13 24  23 f 80.247  2.7060  3499.63    235.193  3183.56    354.912  3747.11    314.050  76.212  4.3173  82.938  3.4960  -6.726257      5.555309  
1 1 1 -13 24  24 o 41.188  4.5441  940.433    199.339  1209.80    436.410  869.416    224.081  45.451  9.1811  39.393  5.3935  6.058018       10.64810  
1 1 1 -13 24  25 o 33.019  5.8481  621.102    201.486  799.969    425.773  569.487    228.717  36.543  10.309  31.335  6.9236  5.208548       12.41856  
1 1 1 -13 24  26 o 37.672  5.2887  800.567    209.848  825.840    439.947  793.123    238.759  36.825  10.511  37.248  6.1315  -0.4230881     12.16901  
1 1 1 -13 24  27 o 6.0608  2.7669  -26.7237   40.387   -44.0732   41.049   498.280    225.807  5.6108  2.6383  29.029  7.2135  -23.41830      7.680847  
1 1 1 -13 24  28 o 87.530  3.2887  4203.58    311.780  4871.96    641.420  3996.80    356.762  92.352  6.4531  85.139  3.8689  7.213196       7.523961  
1 1 1 -13 24  29 o 17.499  7.0208  102.511    202.828  123.105    434.495  96.773     229.351  23.272  9.8864  18.125  7.3952  5.147188       12.34629  
1 1 1 -13 24  30 f 50.721  2.1753  1406.09    119.505  1465.12    133.861  1174.29    265.247  51.726  2.3893  44.950  5.5673  6.776958       6.058374  
1 1 1 -13 24  31 o 21.992  8.0494  285.813    250.330  -112.7222  461.973  451.475    297.849  19.920  9.1906  26.134  8.8445  -6.214161      12.75510  
1 1 1 -13 24  32 o 23.200  9.6448  287.517    399.871  0.0000     0.0000   287.517    399.871  ?       ?       23.200  9.6448  0.000000       9.644784  
1 1 1 -13 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 25  1  o 164.731 3.5245  14703.68   628.835  14413.90   734.019  15503.04   1219.11  163.082 4.1556  169.031 6.6590  -5.948608      7.849269  
1 1 1 -13 25  2  o 305.657 5.3557  50659.18   1773.06  49287.94   2045.61  54801.03   3555.20  301.421 6.2658  317.359 10.343  -15.93756      12.09284  
1 1 1 -13 25  3  o 545.254 9.0941  161604.00  5370.68  162007.30  6200.37  160392.30  10747.33 545.599 10.492  540.130 18.371  5.469666       21.15615  
1 1 1 -13 25  4  o 458.231 8.3276  114078.40  4133.07  115485.20  4417.32  104190.40  11710.87 460.952 8.8478  431.664 25.157  29.28778       26.66755  
1 1 1 -13 25  5  o 255.884 4.5459  35494.54   1259.88  35105.56   1453.29  36671.15   2527.61  254.434 5.2736  259.714 8.9855  -5.279739      10.41875  
1 1 1 -13 25  6  o 295.263 5.6427  47288.88   1804.55  46020.61   1940.70  55388.33   4904.34  291.233 6.1525  318.179 14.231  -26.94650      15.50410  
1 1 1 -13 25  7  o 307.450 5.3404  51267.89   1778.36  49496.86   2052.06  56610.45   3564.12  302.006 6.2734  322.427 10.206  -20.42087      11.97980  
1 1 1 -13 25  8  o 159.766 3.3740  13832.08   583.854  13606.96   672.480  14521.31   1176.66  158.443 3.9186  163.548 6.6426  -5.105164      7.712286  
1 1 1 -13 25  9  o 307.052 5.3882  51147.31   1791.94  49884.41   2068.61  54943.90   3586.67  303.140 6.3004  317.484 10.430  -14.34344      12.18553  
1 1 1 -13 25  10 o 306.391 6.2603  50967.77   2077.50  47522.86   2544.23  57860.46   3598.84  295.626 7.9459  325.768 10.200  -30.14233      12.92941  
1 1 1 -13 25  11 o 170.683 4.0722  15794.95   752.815  14858.12   922.724  17659.90   1301.89  165.487 5.1480  180.304 6.6665  -14.81760      8.422845  
1 1 1 -13 25  12 o 122.759 2.7387  8165.65    364.135  8503.31    474.151  7680.20    568.531  125.250 3.4952  119.002 4.4109  6.248161       5.627837  
1 1 1 -13 25  13 o 117.423 3.0560  7472.51    388.666  6991.58    554.271  7937.76    545.157  113.532 4.5075  120.985 4.1603  -7.452980      6.133924  
1 1 1 -13 25  14 o 137.347 3.6680  10227.63   545.657  10898.12   969.800  9917.04    660.045  141.619 6.3225  135.207 4.5072  6.412582       7.764594  
1 1 1 -13 25  15 o 171.986 5.0204  16056.32   935.187  16550.59   1334.99  15580.05   1310.46  174.412 7.0670  169.212 7.1503  5.200378       10.05327  
1 1 1 -13 25  16 o 218.431 6.0103  25937.60   1421.94  24295.14   2026.89  27529.34   1995.35  210.928 8.8721  224.664 8.2000  -13.73665      12.08113  
1 1 1 -13 25  17 f 102.241 4.4665  5674.44    494.607  5676.46    703.420  5672.46    695.604  101.933 6.4039  101.907 6.3335  0.2631378E-01  9.006803  
1 1 1 -13 25  18 o 62.014  6.6182  2119.08    437.658  0.0000     0.0000   2119.08    437.658  ?       ?       62.014  6.6182  0.000000       6.618181  
1 1 1 -13 25  19 o 127.914 3.6493  8882.23    505.588  8671.16    888.255  8983.38    614.918  125.886 6.5371  128.569 4.4158  -2.682549      7.888799  
1 1 1 -13 25  20 o 34.912  4.9456  676.855    181.776  1114.22    389.837  555.341    205.482  44.283  8.4359  31.332  6.2738  12.95043       10.51311  
1 1 1 -13 25  21 f 53.261  3.6140  1549.50    207.251  1494.69    435.764  1565.53    235.603  51.433  8.0895  53.473  4.0992  -2.039486      9.068822  
1 1 1 -13 25  22 o 65.423  3.4861  2335.79    246.135  2600.59    481.820  2242.28    286.312  68.405  6.5846  63.993  4.1533  4.411461       7.785017  
1 1 1 -13 25  23 o 49.187  3.9339  1328.38    207.821  1565.88    377.007  1224.71    249.083  52.787  6.7484  47.019  4.9661  5.768005       8.378777  
1 1 1 -13 25  24 o 107.415 3.0777  6283.16    358.069  6461.76    733.756  6227.33    410.232  107.811 6.3113  106.841 3.5450  0.9695358      7.238769  
1 1 1 -13 25  25 o 91.475  3.1862  4563.82    315.677  4461.78    644.608  4596.01    362.065  89.134  6.7265  91.697  3.6456  -2.562469      7.650910  
1 1 1 -13 25  26 o 83.521  2.8477  3803.62    257.604  3453.30    394.775  4063.41    339.955  79.011  4.6333  86.139  3.6438  -7.127663      5.894470  
1 1 1 -13 25  27 o 17.573  6.9351  108.478    194.756  488.372    416.962  2.4711     220.259  29.495  10.440  16.206  6.9654  13.28823       12.55033  
1 1 1 -13 25  28 o 84.424  3.3271  3912.32    304.235  3677.78    624.845  3985.21    348.311  79.555  7.3342  85.041  3.7815  -5.486259      8.251712  
1 1 1 -13 25  29 o 25.925  7.1986  404.097    209.316  592.402    445.341  350.703    237.143  30.948  10.803  24.419  7.8780  6.529737       13.37001  
1 1 1 -13 25  30 o 19.860  1.9314  217.185    41.019   213.790    41.584   339.568    249.655  19.695  1.9760  23.798  8.0972  -4.103195      8.334816  
1 1 1 -13 25  31 o 19.355  7.7541  170.342    247.009  252.157    457.515  136.683    293.453  23.775  10.123  19.618  8.2177  4.157116       13.03895  
1 1 1 -13 25  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 26  1  o 120.843 2.8619  7911.34    374.582  7900.32    428.455  7947.08    771.608  120.752 3.2760  121.043 5.8855  -0.2906265     6.735849  
1 1 1 -13 26  2  o 207.514 3.9727  23337.34   892.894  23316.96   1029.02  23399.48   1796.33  207.399 4.5809  207.561 7.9904  -0.1625519     9.210360  
1 1 1 -13 26  3  o 255.249 4.9559  35323.86   1370.12  35596.84   1478.74  33667.78   3642.23  256.211 5.3287  247.901 13.617  8.310013       14.62267  
1 1 1 -13 26  4  o 282.459 4.9356  43257.17   1509.95  42086.34   1741.87  46796.71   3028.61  278.550 5.7736  293.319 9.5331  -14.76962      11.14510  
1 1 1 -13 26  5  o 263.940 4.7895  37770.04   1369.19  38412.08   1579.80  35832.00   2744.72  266.127 5.4808  256.604 9.8756  9.523407       11.29456  
1 1 1 -13 26  6  o 251.576 4.9105  34317.90   1338.02  34301.95   1444.97  34413.82   3543.93  251.491 5.3047  250.639 13.100  0.8526764      14.13350  
1 1 1 -13 26  7  o 186.107 3.6302  18770.58   731.745  18192.91   842.941  20537.09   1474.06  183.197 4.2482  194.479 6.9980  -11.28189      8.186531  
1 1 1 -13 26  8  o 327.745 5.7217  58280.77   2031.09  58896.77   2344.69  56428.89   4065.39  329.374 6.5724  321.545 11.673  7.828766       13.39631  
1 1 1 -13 26  9  o 160.763 3.4253  14006.38   596.429  13379.98   688.291  15894.45   1194.97  157.104 4.0450  171.098 6.4482  -13.99368      7.611937  
1 1 1 -13 26  10 o 186.964 4.3257  18953.68   875.967  18182.87   1074.06  20484.79   1513.77  183.059 5.4171  194.158 7.1984  -11.09872      9.008986  
1 1 1 -13 26  11 o 82.461  3.3159  3685.31    296.154  3685.42    366.319  3685.10    503.192  82.445  4.1023  82.202  5.6867  0.2435913      7.011930  
1 1 1 -13 26  12 o 282.480 5.0322  43295.25   1539.62  41726.31   2177.79  44862.93   2176.92  277.031 7.2580  287.295 6.9959  -10.26385      10.08074  
1 1 1 -13 26  13 o 296.564 5.2485  47734.76   1685.86  45457.09   2383.73  50014.11   2384.61  289.051 7.6140  303.257 7.2600  -14.20624      10.52048  
1 1 1 -13 26  14 o 273.121 4.9209  40480.98   1455.70  40628.39   2062.40  40334.63   2054.96  273.333 6.9664  272.343 6.9665  0.9899902      9.852104  
1 1 1 -13 26  15 o 119.456 3.1220  7735.04    403.940  7313.25    578.375  8136.70    564.395  116.090 4.5998  122.470 4.2548  -6.379234      6.265960  
1 1 1 -13 26  16 o 91.627  4.3784  4555.97    434.514  4692.35    678.708  4461.25    565.626  92.606  6.8145  90.415  5.8066  2.191544       8.952892  
1 1 1 -13 26  17 o 46.411  5.9422  1190.51    291.846  471.479    445.347  1731.71    386.372  30.977  10.803  56.034  6.4862  -25.05635      12.60077  
1 1 1 -13 26  18 o 195.310 5.5135  20751.47   1166.33  20353.38   1660.67  21138.96   1638.44  192.961 7.9459  196.708 7.6902  -3.746521      11.05790  
1 1 1 -13 26  19 o 155.505 4.7966  13152.15   807.881  0.0000     0.0000   13152.15   807.881  ?       ?       155.505 4.7966  0.000000       4.796604  
1 1 1 -13 26  20 o 90.061  4.1901  4411.52    408.730  0.0000     0.0000   4411.52    408.730  ?       ?       90.061  4.1901  0.000000       4.190150  
1 1 1 -13 26  21 o 193.477 3.8354  20368.33   803.739  20791.60   1612.74  20228.46   927.073  194.106 7.6710  192.656 4.4428  1.449997       8.864750  
1 1 1 -13 26  22 o 177.159 3.8560  17101.04   739.886  18016.12   1410.56  16753.70   869.033  180.464 7.2165  175.130 4.5815  5.333923       8.548003  
1 1 1 -13 26  23 o 34.042  5.4496  652.047    194.155  712.938    379.975  630.532    225.867  34.925  9.6994  33.228  6.5087  1.696419       11.68082  
1 1 1 -13 26  24 o 30.098  1.8171  493.337    58.958   489.120    61.152   548.955    222.070  29.961  1.8942  30.835  6.8293  -0.8740730     7.087091  
1 1 1 -13 26  25 o 51.944  4.0431  1486.83    225.678  1867.07    469.846  1372.80    257.302  57.030  7.8118  49.711  4.8402  7.319183       9.189744  
1 1 1 -13 26  26 o 103.462 3.1829  5847.65    356.672  5967.55    726.348  5809.56    409.436  102.900 6.5512  102.978 3.6709  -0.7700348E-01 7.509605  
1 1 1 -13 26  27 o 54.527  4.0081  1645.36    235.051  1483.03    492.632  1693.21    267.459  49.393  9.5539  55.161  4.5162  -5.767963      10.56754  
1 1 1 -13 26  28 f 36.210  5.6925  753.964    215.888  586.104    454.933  802.752    245.263  31.269  10.918  37.151  6.3217  -5.882027      12.61615  
1 1 1 -13 26  29 o 79.809  2.8265  3490.68    244.325  3596.36    357.347  3397.91    334.809  80.378  4.1185  78.201  3.9659  2.177345       5.717547  
1 1 1 -13 26  30 f 42.997  5.2403  1070.96    238.994  1184.08    487.856  1035.25    274.143  41.254  10.794  41.707  6.2621  -0.4531479     12.47886  
1 1 1 -13 26  31 o 45.057  5.8480  1215.46    278.658  494.429    506.851  1527.81    333.599  27.424  11.065  50.236  6.2674  -22.81210      12.71656  
1 1 1 -13 26  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 27  1  o 394.750 6.8745  84578.39   2939.23  85704.12   3392.51  81189.81   5885.89  397.227 7.8852  385.377 14.101  11.85077       16.15612  
1 1 1 -13 27  2  o 397.112 6.7899  85589.41   2920.43  86095.16   3370.87  84067.25   5847.88  398.141 7.8169  392.227 13.765  5.913483       15.83009  
1 1 1 -13 27  3  o 361.245 6.7223  70825.75   2630.20  71757.59   2818.48  64542.06   7318.98  363.560 7.1576  341.430 19.878  22.13028       21.12692  
1 1 1 -13 27  4  o 192.968 3.7180  20179.47   777.077  20116.78   895.324  20370.90   1564.51  192.646 4.2909  193.681 7.4580  -1.034546      8.604276  
1 1 1 -13 27  5  o 57.138  2.8164  1768.73    174.298  1655.56    197.945  2159.31    367.736  55.175  3.3279  62.861  5.4552  -7.686474      6.390155  
1 1 1 -13 27  6  o 87.489  2.5813  4146.71    244.605  4129.45    298.268  4182.17    427.449  87.299  3.1545  87.715  4.5146  -0.4153900     5.507450  
1 1 1 -13 27  7  o 215.785 4.0619  25239.43   949.325  24786.37   1094.45  26615.97   1907.73  213.805 4.7262  221.303 7.9590  -7.498688      9.256498  
1 1 1 -13 27  8  o 208.571 4.0076  23580.92   905.334  23688.77   1044.00  23253.91   1817.92  209.016 4.6116  206.816 8.1156  2.199173       9.334345  
1 1 1 -13 27  9  o 225.940 4.2036  27676.62   1028.70  26189.78   1186.72  32170.83   2063.22  219.737 4.9863  243.259 7.8308  -23.52138      9.283549  
1 1 1 -13 27  10 o 224.855 5.2837  27431.94   1286.81  27655.39   1450.12  26604.10   2791.12  225.714 5.9316  220.324 11.739  5.389816       13.15210  
1 1 1 -13 27  11 o 434.623 8.4914  102825.00  3997.27  99728.14   4894.72  109025.60  6926.06  427.426 10.573  445.419 14.356  -17.99310      17.82963  
1 1 1 -13 27  12 o 162.788 3.4402  14363.96   606.562  14103.21   859.747  14622.38   855.884  161.228 4.9233  164.175 4.8132  -2.947433      6.885240  
1 1 1 -13 27  13 o 124.653 3.0533  8421.23    412.227  8979.12    587.380  7879.76    578.671  128.672 4.2147  120.529 4.4327  8.143295       6.116583  
1 1 1 -13 27  14 o 131.710 3.1679  9402.92    451.923  9538.13    643.563  9271.39    634.760  132.596 4.4812  130.729 4.4830  1.867279       6.338626  
1 1 1 -13 27  15 o 173.120 3.5878  16250.93   672.739  16538.94   955.260  15967.53   947.579  174.539 5.0531  171.493 5.1015  3.045731       7.180465  
1 1 1 -13 27  16 o 100.038 3.0379  5425.14    329.164  5688.31    474.704  5181.42    456.828  102.385 4.2807  97.715  4.3164  4.669914       6.079095  
1 1 1 -13 27  17 o 215.214 4.7914  25156.76   1116.88  23432.61   1943.87  26006.44   1364.61  207.020 8.6693  218.676 5.7615  -11.65535      10.40923  
1 1 1 -13 27  18 o 58.097  5.1386  1849.48    320.008  1752.76    489.556  1921.65    422.856  56.002  8.3241  58.987  6.7396  -2.984295      10.71045  
1 1 1 -13 27  19 f 42.773  5.7951  1015.12    261.558  0.0000     0.0000   1015.12    261.558  ?       ?       42.773  5.7951  0.000000       5.795096  
1 1 1 -13 27  20 o 76.654  4.2697  3206.68    353.080  0.0000     0.0000   3206.68    353.080  ?       ?       76.654  4.2697  0.000000       4.269688  
1 1 1 -13 27  21 o 66.599  4.6863  2431.33    335.883  0.0000     0.0000   2431.33    335.883  ?       ?       66.599  4.6863  0.000000       4.686301  
1 1 1 -13 27  22 o 167.428 5.0889  15347.25   922.822  0.0000     0.0000   15347.25   922.822  ?       ?       167.428 5.0889  0.000000       5.088866  
1 1 1 -13 27  23 o 72.771  3.2807  2883.46    258.579  2878.81    525.300  2884.95    297.062  71.763  6.8412  72.627  3.7895  -0.8646545     7.820629  
1 1 1 -13 27  24 o 34.174  5.9479  663.667    212.155  695.260    447.575  654.512    240.943  34.519  10.786  33.715  6.8321  0.8041077      12.76768  
1 1 1 -13 27  25 o 56.567  3.9505  1760.73    240.518  1670.32    508.535  1786.79    272.980  53.324  9.1335  56.861  4.4685  -3.536972      10.16799  
1 1 1 -13 27  26 o 19.943  2.1245  218.673    45.185   199.805    451.422  218.864    45.413   25.353  10.363  19.951  2.1347  5.401791       10.58077  
1 1 1 -13 27  27 o 44.067  1.8522  1055.47    88.407   306.728    451.047  1085.39    90.155   26.710  10.550  44.687  1.8627  -17.97671      10.71318  
1 1 1 -13 27  28 o 45.440  1.5303  1121.45    75.315   1192.54    79.245   457.518    242.177  46.855  1.5615  27.608  7.7705  19.24688       7.925810  
1 1 1 -13 27  29 o 13.439  6.1354  -107.2569  198.607  164.750    424.678  -183.4012  224.693  23.529  9.8724  13.439  6.2715  10.08989       11.69597  
1 1 1 -13 27  30 o 27.642  7.3313  477.865    223.087  652.274    461.947  424.818    254.765  30.870  10.982  25.962  8.1417  4.907969       13.67091  
1 1 1 -13 27  31 o 18.395  8.0227  49.334     300.943  27.606     470.543  64.373     391.478  21.369  9.6307  20.427  9.0211  0.9418373      13.19586  
1 1 1 -13 27  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 28  1  f 230.562 4.4815  28816.81   1119.12  27856.21   1318.78  31288.56   2115.46  226.638 5.3724  239.975 8.1389  -13.33719      9.752166  
1 1 1 -13 28  2  o 193.683 4.0329  20331.61   846.018  20237.61   922.390  20829.82   2123.42  193.220 4.4075  195.377 10.069  -2.157120      10.99109  
1 1 1 -13 28  3  o 382.808 6.4760  79526.14   2685.06  81424.63   3099.22  73812.56   5376.53  387.228 7.3895  367.515 13.507  19.71237       15.39617  
1 1 1 -13 28  4  o 201.751 3.8160  22059.45   833.870  21716.59   960.847  23105.63   1678.39  200.151 4.4323  206.260 7.5129  -6.108810      8.722861  
1 1 1 -13 28  5  o 64.722  2.7012  2269.38    189.354  2172.42    215.490  2597.95    396.678  63.320  3.1421  69.004  5.3494  -5.683853      6.203913  
1 1 1 -13 28  6  f 117.834 2.9229  7522.83    373.036  7612.25    427.671  7238.40    762.757  118.524 3.3315  115.332 6.1281  3.192108       6.975153  
1 1 1 -13 28  7  o 206.903 3.9385  23203.76   882.601  22684.79   1017.79  24777.37   1772.29  204.544 4.5941  213.542 7.6627  -8.997864      8.934341  
1 1 1 -13 28  8  o 158.986 3.3733  13697.98   580.872  13651.68   669.460  13839.01   1168.44  158.698 3.8948  159.636 6.7578  -0.9372711     7.799800  
1 1 1 -13 28  9  o 156.579 3.3419  13286.73   566.750  12968.92   653.116  14255.68   1140.39  154.674 3.8985  162.025 6.4983  -7.350647      7.578047  
1 1 1 -13 28  10 o 92.355  2.9929  4621.98    299.382  4895.17    428.372  4361.14    418.578  95.018  4.1624  89.682  4.3093  5.336411       5.991273  
1 1 1 -13 28  11 o 227.426 4.9233  28059.89   1212.73  27492.17   1484.91  29197.09   2101.59  225.009 6.0930  231.604 8.3778  -6.594940      10.35917  
1 1 1 -13 28  12 f 125.451 3.0663  8529.08    416.644  8281.27    590.828  8774.21    587.632  123.567 4.4146  127.198 4.2654  -3.630859      6.138548  
1 1 1 -13 28  13 o 154.554 3.3552  12948.06   561.656  12697.20   796.344  13196.35   792.276  152.975 4.8063  155.960 4.6902  -2.984940      6.715531  
1 1 1 -13 28  14 o 451.689 7.6228  111062.70  3729.27  106521.50  5273.51  115605.60  5274.46  441.110 11.038  459.730 10.593  -18.61984      15.29829  
1 1 1 -13 28  15 o 142.768 3.2831  11050.16   507.673  10757.20   718.619  11342.04   717.299  140.782 4.7128  144.567 4.5810  -3.785172      6.572385  
1 1 1 -13 28  16 o 187.920 3.7944  19154.85   772.293  18204.20   1096.19  20091.75   1088.23  183.033 5.5295  192.323 5.2242  -9.290115      7.607074  
1 1 1 -13 28  17 o 155.583 3.3795  13128.65   569.485  13982.69   813.861  12309.33   797.145  160.453 4.6831  150.527 4.8894  9.926392       6.770313  
1 1 1 -13 28  18 o 84.878  3.0844  3907.42    283.556  4653.90    414.370  3250.02    388.862  92.575  4.1326  77.193  4.6730  15.38219       6.238245  
1 1 1 -13 28  19 o 166.086 4.0548  14988.88   729.404  0.0000     0.0000   14988.88   729.404  ?       ?       166.086 4.0548  0.000000       4.054769  
1 1 1 -13 28  20 o 85.576  4.1724  3984.27    386.730  0.0000     0.0000   3984.27    386.730  ?       ?       85.576  4.1724  0.000000       4.172383  
1 1 1 -13 28  21 o 132.333 4.5029  9550.23    645.396  0.0000     0.0000   9550.23    645.396  ?       ?       132.333 4.5029  0.000000       4.502870  
1 1 1 -13 28  22 o 81.276  4.8577  3626.58    425.667  0.0000     0.0000   3626.58    425.667  ?       ?       81.276  4.8577  0.000000       4.857678  
1 1 1 -13 28  23 o 18.394  7.7451  32.460     262.880  0.0000     0.0000   32.460     262.880  ?       ?       18.394  7.7451  0.000000       7.745094  
1 1 1 -13 28  24 o 88.052  3.7209  4235.61    354.865  0.0000     0.0000   4235.61    354.865  ?       ?       88.052  3.7209  0.000000       3.720929  
1 1 1 -13 28  25 o 88.814  2.9007  4298.41    279.035  4273.24    442.592  4315.01    359.477  88.006  4.6598  88.804  3.7374  -0.7976074     5.973439  
1 1 1 -13 28  26 o 55.932  2.4996  1703.64    151.423  1673.03    181.010  1774.99    276.371  55.273  3.0352  56.556  4.5502  -1.283436      5.469623  
1 1 1 -13 28  27 o 51.690  4.3102  1485.33    239.111  1261.37    507.818  1549.13    271.037  44.854  10.618  52.633  4.8075  -7.778610      11.65529  
1 1 1 -13 28  28 o 36.906  5.7894  784.633    223.807  577.835    484.094  840.851    252.402  31.251  11.229  38.014  6.3546  -6.762886      12.90237  
1 1 1 -13 28  29 o 14.202  6.3440  -58.9041   199.268  197.875    427.890  -130.0159  225.176  24.010  9.9789  14.127  6.4805  9.883609       11.89850  
1 1 1 -13 28  30 o 15.029  6.6544  -28.2654   214.380  -80.9310   458.196  -13.5050   242.569  20.552  9.3579  16.161  7.1209  4.390730       11.75913  
1 1 1 -13 28  31 o 26.846  9.1798  487.295    320.891  616.039    505.332  400.302    415.390  29.149  11.267  25.458  10.103  3.691244       15.13290  
1 1 1 -13 28  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 29  1  o 275.151 5.2069  41056.27   1551.75  40622.37   1671.57  43761.36   4173.72  273.661 5.6395  282.941 13.619  -9.279877      14.74080  
1 1 1 -13 29  2  o 128.771 2.9640  8983.95    413.391  8506.66    476.079  10446.75   833.458  125.292 3.5082  138.782 5.5447  -13.48957      6.561373  
1 1 1 -13 29  3  o 431.544 7.3017  101129.10  3412.86  101144.50  3939.46  101082.60  6832.87  431.382 8.4315  429.668 14.682  1.713745       16.93122  
1 1 1 -13 29  4  o 401.240 6.8208  87398.12   2964.21  87876.86   3421.49  85957.59   5935.07  402.178 7.8547  396.429 13.823  5.748993       15.89843  
1 1 1 -13 29  5  o 162.497 3.3207  14308.26   584.438  13704.71   672.728  16165.57   1180.12  159.014 3.9060  172.588 6.3131  -13.57336      7.423777  
1 1 1 -13 29  6  o 285.448 5.4447  44198.79   1683.33  44023.30   1812.04  45304.13   4547.76  284.842 5.8734  287.154 14.671  -2.312347      15.80315  
1 1 1 -13 29  7  o 249.323 4.5512  33704.84   1229.03  33080.87   1418.39  35584.88   2462.05  246.950 5.3029  255.744 8.8884  -8.794067      10.35007  
1 1 1 -13 29  8  o 207.747 3.9776  23395.94   895.018  23544.69   1031.95  22944.35   1798.03  208.374 4.5724  205.415 8.0815  2.958344       9.285385  
1 1 1 -13 29  9  o 198.333 3.7981  21322.71   815.883  20463.16   940.797  23930.19   1638.60  194.259 4.4714  209.852 7.2092  -15.59296      8.483317  
1 1 1 -13 29  10 o 87.851  3.3196  4182.85    315.866  3814.73    546.580  4367.43    387.037  83.602  6.0778  89.754  3.9813  -6.151947      7.265767  
1 1 1 -13 29  11 o 23.097  2.0613  291.296    51.025   642.965    215.907  270.492    52.513   33.896  6.1056  22.235  2.2098  11.66059       6.493137  
1 1 1 -13 29  12 o 168.688 3.5010  15424.92   639.652  15361.47   905.727  15488.06   903.487  168.258 4.9699  168.952 4.9373  -0.6939850     7.005488  
1 1 1 -13 29  13 o 357.251 6.1652  69335.91   2385.55  67780.52   3373.89  70890.91   3373.47  352.637 8.8335  360.689 8.6352  -8.051941      12.35306  
1 1 1 -13 29  14 o 209.609 4.0494  23829.35   919.331  22389.48   1301.81  25261.79   1298.45  203.005 5.9207  215.675 5.5585  -12.66968      8.121027  
1 1 1 -13 29  15 o 220.809 4.2084  26452.36   1006.46  26279.89   1429.35  26621.96   1417.43  219.880 6.0018  221.319 5.9131  -1.438431      8.425331  
1 1 1 -13 29  16 o 226.812 4.2910  27917.97   1054.14  28141.89   1492.34  27694.98   1489.21  227.483 6.0569  225.664 6.0929  1.819153       8.591216  
1 1 1 -13 29  17 o 276.762 4.9783  41620.88   1492.31  41981.41   2113.71  41262.56   2107.19  277.496 7.0326  275.099 7.0720  2.396362       9.973544  
1 1 1 -13 29  18 o 123.342 3.1819  8252.67    425.081  8646.73    605.362  7869.38    597.033  126.152 4.4305  120.334 4.5808  5.817749       6.372815  
1 1 1 -13 29  19 o 171.727 4.1402  16029.60   770.068  16143.25   1340.83  15973.66   940.678  171.692 7.2103  171.269 5.0710  0.4230652      8.814945  
1 1 1 -13 29  20 o 135.228 3.2012  9931.37    468.861  10398.30   954.265  9782.78    538.318  137.786 6.3943  134.148 3.7050  3.637909       7.390158  
1 1 1 -13 29  21 o 59.176  4.8783  1925.36    309.884  0.0000     0.0000   1925.36    309.884  ?       ?       59.176  4.8783  0.000000       4.878342  
1 1 1 -13 29  22 o 182.069 5.3244  18179.77   1049.96  0.0000     0.0000   18179.77   1049.96  ?       ?       182.069 5.3244  0.000000       5.324370  
1 1 1 -13 29  23 o 91.922  4.4858  4624.61    446.607  0.0000     0.0000   4624.61    446.607  ?       ?       91.922  4.4858  0.000000       4.485774  
1 1 1 -13 29  24 o 69.599  4.8688  2675.82    364.710  0.0000     0.0000   2675.82    364.710  ?       ?       69.599  4.8688  0.000000       4.868792  
1 1 1 -13 29  25 o 27.165  8.4759  422.245    276.502  0.0000     0.0000   422.245    276.502  ?       ?       27.165  8.4759  0.000000       8.475884  
1 1 1 -13 29  26 o 14.150  6.6401  -245.5498  257.815  0.0000     0.0000   -245.5498  257.815  ?       ?       14.150  6.6401  0.000000       6.640090  
1 1 1 -13 29  27 o 20.081  7.3294  196.947    207.336  429.148    454.948  136.078    232.931  28.698  10.786  19.224  7.5852  9.473858       13.18649  
1 1 1 -13 29  28 o 17.516  7.0899  92.391     208.822  635.492    458.127  -50.0414   234.612  32.154  10.969  15.731  6.9635  16.42331       12.99232  
1 1 1 -13 29  29 o 20.257  7.4638  208.405    215.741  476.075    487.830  143.326    240.542  28.904  11.097  19.274  7.6754  9.630005       13.49311  
1 1 1 -13 29  30 o 45.555  5.3040  1209.62    256.807  595.010    562.475  1371.48    288.647  29.799  11.778  48.337  5.6182  -18.53749      13.04915  
1 1 1 -13 29  31 o 18.926  8.2335  66.775     315.266  675.891    522.942  -281.0158  395.150  30.020  11.498  16.990  8.0481  13.03020       14.03506  
1 1 1 -13 29  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 30  1  o 214.589 3.9927  24958.30   927.996  24304.07   1068.84  26961.61   1870.34  211.726 4.6609  222.780 7.7513  -11.05371      9.044690  
1 1 1 -13 30  2  o 189.981 3.8004  19560.83   781.996  19553.26   900.250  19584.11   1578.39  189.921 4.3764  189.875 7.6750  0.4637146E-01  8.835058  
1 1 1 -13 30  3  o 238.048 4.3575  30718.76   1123.49  30539.85   1295.28  31262.27   2257.60  237.314 5.0393  239.789 8.6926  -2.474594      10.04765  
1 1 1 -13 30  4  o 106.070 2.7936  6095.52    320.938  6090.66    366.946  6111.33    661.985  106.021 3.1955  105.977 5.7891  0.4379272E-01  6.612483  
1 1 1 -13 30  5  o 289.525 5.0512  45459.34   1584.00  43896.84   1827.48  50179.11   3176.17  284.430 5.9321  303.618 9.6584  -19.18781      11.33466  
1 1 1 -13 30  6  o 148.106 3.3476  11886.80   537.006  11812.05   597.365  12201.63   1225.95  147.628 3.7359  149.665 7.5876  -2.036926      8.457502  
1 1 1 -13 30  7  o 200.036 3.8853  21689.83   841.799  22517.63   971.768  19201.16   1684.94  203.791 4.4026  187.907 8.2789  15.88475       9.376713  
1 1 1 -13 30  8  o 189.145 3.7374  19391.76   765.659  18925.25   882.169  20816.24   1541.52  186.826 4.3596  195.727 7.2716  -8.900436      8.478304  
1 1 1 -13 30  9  o 117.548 2.9554  7487.35    376.268  6987.68    432.504  9042.75    763.075  113.545 3.5168  129.091 5.4576  -15.54666      6.492570  
1 1 1 -13 30  10 o 381.707 7.5624  79223.34   3126.50  77849.63   5414.89  79910.33   3829.30  376.808 13.268  382.980 9.2315  -6.171600      16.16339  
1 1 1 -13 30  11 o 474.745 7.9475  122631.80  4086.58  121469.00  5778.85  123795.00  5779.74  471.352 11.319  475.886 11.213  -4.533508      15.93327  
1 1 1 -13 30  12 o 194.244 3.8259  20456.92   804.916  20564.38   1140.76  20350.37   1135.90  194.641 5.4112  193.625 5.4164  1.015839       7.656239  
1 1 1 -13 30  13 o 80.906  2.9764  3547.58    260.826  3135.69    373.447  3939.85    364.446  75.890  4.5646  85.238  3.9476  -9.348221      6.034791  
1 1 1 -13 30  14 o 84.092  2.9817  3832.78    271.577  3868.62    392.461  3799.85    376.192  84.336  4.3109  83.698  4.1498  0.6388092      5.983677  
1 1 1 -13 30  15 o 270.643 4.9176  39767.88   1441.52  38000.44   2042.45  41522.12   2034.80  264.192 7.1378  276.230 6.8011  -12.03827      9.859158  
1 1 1 -13 30  16 o 283.920 5.0896  43789.27   1565.13  42986.88   2215.86  44588.16   2211.01  280.856 7.2843  286.075 7.1358  -5.219330      10.19706  
1 1 1 -13 30  17 o 165.539 3.5002  14865.87   627.566  15318.32   894.881  14428.02   880.323  167.898 4.9209  162.938 4.9883  4.959747       7.007026  
1 1 1 -13 30  18 o 141.729 3.2739  10898.56   502.572  11593.73   716.995  10227.11   704.653  146.054 4.5325  137.152 4.7435  8.901367       6.560808  
1 1 1 -13 30  19 o 63.433  2.5051  2182.14    172.110  2239.11    205.932  2050.17    313.443  64.237  2.9598  61.188  4.7672  3.048908       5.611287  
1 1 1 -13 30  20 o 56.841  3.4318  1762.03    210.287  1914.15    456.475  1721.05    236.925  58.553  7.3604  56.113  3.9230  2.440941       8.340562  
1 1 1 -13 30  21 f 189.446 3.8225  19543.07   784.330  19334.63   1569.10  19612.50   905.583  186.848 7.7534  189.611 4.4096  -2.762543      8.919582  
1 1 1 -13 30  22 o 51.169  3.9273  1436.16    215.992  2219.47    440.419  1188.10    247.844  63.083  6.5410  46.309  5.0218  16.77380       8.246355  
1 1 1 -13 30  23 o 76.550  4.7119  3223.46    388.773  0.0000     0.0000   3223.46    388.773  ?       ?       76.550  4.7119  0.000000       4.711899  
1 1 1 -13 30  24 o 18.233  7.7251  25.529     264.127  0.0000     0.0000   25.529     264.127  ?       ?       18.233  7.7251  0.000000       7.725068  
1 1 1 -13 30  25 o 66.191  5.0131  2431.67    356.735  0.0000     0.0000   2431.67    356.735  ?       ?       66.191  5.0131  0.000000       5.013145  
1 1 1 -13 30  26 o 36.555  7.6391  788.140    292.707  0.0000     0.0000   788.140    292.707  ?       ?       36.555  7.6391  0.000000       7.639091  
1 1 1 -13 30  27 o 71.550  4.9221  2860.06    379.122  0.0000     0.0000   2860.06    379.122  ?       ?       71.550  4.9221  0.000000       4.922082  
1 1 1 -13 30  28 o 27.869  8.6801  466.933    290.127  0.0000     0.0000   466.933    290.127  ?       ?       27.869  8.6801  0.000000       8.680066  
1 1 1 -13 30  29 o 17.599  7.1792  95.164     216.093  706.492    500.621  -44.8224   239.560  32.739  11.452  15.812  7.0162  16.92737       13.43031  
1 1 1 -13 30  30 o 41.588  5.7676  1025.43    252.800  765.023    552.925  1094.25    284.249  32.141  11.928  42.605  6.3542  -10.46358      13.51524  
1 1 1 -13 30  31 o 6.2386  2.7707  -12.4881   37.441   -15.3214   37.570   398.856    452.688  6.1439  2.7488  25.615  10.413  -19.47126      10.77016  
1 1 1 -13 30  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 31  1  o 227.154 4.0997  27968.49   1008.66  27135.64   1161.98  30514.43   2031.61  223.709 4.7956  236.977 7.9153  -13.26822      9.254700  
1 1 1 -13 31  2  o 197.847 4.0576  21216.86   869.500  21798.88   947.190  18099.19   2192.23  200.528 4.3610  181.869 11.183  18.65932       12.00345  
1 1 1 -13 31  3  f 381.395 7.0558  78987.34   2914.67  79103.87   3121.05  78192.65   8150.62  381.601 7.5513  375.390 20.120  6.211548       21.49010  
1 1 1 -13 31  4  o 245.116 4.4010  32572.20   1168.40  32645.32   1347.37  32350.50   2346.13  245.348 5.0703  243.882 8.8818  1.466629       10.22717  
1 1 1 -13 31  5  o 191.907 3.6725  19959.79   763.349  18922.43   879.391  23130.80   1537.50  186.825 4.3459  206.392 6.8778  -19.56662      8.135794  
1 1 1 -13 31  6  o 202.167 4.1361  22156.43   905.665  22539.77   986.218  20093.23   2287.98  203.891 4.4659  191.612 11.072  12.27899       11.93844  
1 1 1 -13 31  7  o 141.933 3.2341  10916.69   497.177  11656.00   573.676  8685.88    996.517  146.649 3.6118  126.224 7.3205  20.42479       8.163013  
1 1 1 -13 31  8  o 344.228 5.2852  64286.29   1970.49  64962.38   2543.75  63271.86   3115.88  345.829 6.7911  341.023 8.4358  4.805756       10.82970  
1 1 1 -13 31  9  o 335.816 5.7710  61211.79   2099.07  61684.82   2968.04  60738.45   2969.01  336.731 8.1380  334.126 8.2041  2.605408       11.55569  
1 1 1 -13 31  10 o 57.988  3.8109  1830.80    238.018  2107.54    398.732  1677.59    296.674  62.014  6.0119  55.383  4.9997  6.630611       7.819194  
1 1 1 -13 31  11 o 181.773 3.6926  17912.19   727.001  17833.22   1027.23  17991.43   1029.04  181.277 5.2318  182.081 5.2180  -0.8033142     7.389117  
1 1 1 -13 31  12 o 400.576 6.8261  87224.60   2961.62  85513.15   4188.65  88935.58   4188.07  395.851 9.7695  403.755 9.5769  -7.903900      13.68067  
1 1 1 -13 31  13 o 348.275 6.0410  65896.23   2278.77  64477.19   3223.35  67314.06   3221.97  343.933 8.6529  351.467 8.4638  -7.533905      12.10412  
1 1 1 -13 31  14 o 154.227 3.3888  12895.59   566.079  12249.95   800.923  13540.05   800.190  150.225 4.9224  157.955 4.6772  -7.730270      6.790191  
1 1 1 -13 31  15 o 174.178 3.6234  16452.66   683.567  15574.48   970.775  17316.28   962.694  169.332 5.2931  178.581 4.9772  -9.248627      7.265601  
1 1 1 -13 31  16 o 55.574  3.5781  1682.12    214.230  1697.90    323.474  1669.80    285.922  55.629  5.4382  55.239  4.8274  0.3895874      7.271730  
1 1 1 -13 31  17 o 133.574 3.1849  9676.77    460.775  9703.91    661.229  9651.15    642.444  133.656 4.5676  133.303 4.4497  0.3534393      6.376737  
1 1 1 -13 31  18 o 167.337 3.7636  15203.57   682.127  14875.36   1026.66  15462.96   912.711  165.238 5.7365  168.592 4.9984  -3.353531      7.608601  
1 1 1 -13 31  19 o 110.790 3.0630  6662.02    367.548  6905.92    533.061  6440.97    507.467  112.671 4.3681  108.819 4.3056  3.851990       6.133419  
1 1 1 -13 31  20 o 119.656 3.0770  7776.17    398.778  8549.00    814.854  7532.79    457.279  124.951 6.0210  117.708 3.5868  7.243835       7.008387  
1 1 1 -13 31  21 o 95.931  3.0930  5002.39    321.378  4913.24    642.904  5032.08    371.066  94.313  6.3304  96.157  3.5629  -1.844177      7.264153  
1 1 1 -13 31  22 o 85.769  3.1306  4002.24    290.825  3916.17    583.040  4030.74    335.550  83.983  6.4593  86.010  3.6020  -2.027504      7.395679  
1 1 1 -13 31  23 o 46.513  4.1747  1192.24    208.075  1224.55    420.055  1181.73    239.527  45.895  8.7700  46.164  4.8636  -0.2690773     10.02835  
1 1 1 -13 31  24 o 67.628  2.6415  2488.38    193.485  2527.99    254.989  2434.61    297.064  67.963  3.4756  66.545  4.1421  1.417580       5.407135  
1 1 1 -13 31  25 o 78.317  4.6978  3391.34    396.652  0.0000     0.0000   3391.34    396.652  ?       ?       78.317  4.6978  0.000000       4.697792  
1 1 1 -13 31  26 o 41.404  6.9598  994.106    301.038  0.0000     0.0000   994.106    301.038  ?       ?       41.404  6.9598  0.000000       6.959822  
1 1 1 -13 31  27 o 32.099  8.3207  623.825    291.674  0.0000     0.0000   623.825    291.674  ?       ?       32.099  8.3207  0.000000       8.320658  
1 1 1 -13 31  28 o 23.596  8.5888  293.197    284.429  0.0000     0.0000   293.197    284.429  ?       ?       23.596  8.5888  0.000000       8.588757  
1 1 1 -13 31  29 o 23.645  8.6624  308.585    289.997  0.0000     0.0000   308.585    289.997  ?       ?       23.645  8.6624  0.000000       8.662377  
1 1 1 -13 31  30 o 19.502  8.3732  88.478     317.703  0.0000     0.0000   88.478     317.703  ?       ?       19.502  8.3732  0.000000       8.373244  
1 1 1 -13 31  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 31  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 32  1  o 207.339 4.3254  23305.05   971.365  23968.92   1142.63  21574.97   1844.58  210.235 5.0180  199.198 8.5495  11.03629       9.913367  
1 1 1 -13 32  2  o 205.008 4.1719  22782.39   926.342  23082.45   1088.99  21996.88   1761.98  206.318 4.8732  201.178 8.0863  5.139755       9.441216  
1 1 1 -13 32  3  o 56.442  2.0394  1725.65    124.675  1735.08    132.786  1655.47    362.291  56.596  2.1662  54.883  6.2036  1.712830       6.570919  
1 1 1 -13 32  4  o 342.790 6.9352  63809.01   2574.89  63800.07   2801.53  63857.64   6534.88  342.680 7.5481  339.897 17.813  2.783234       19.34613  
1 1 1 -13 32  5  o 322.342 5.7148  56377.68   1995.20  57321.76   2302.67  53533.74   3996.59  324.933 6.5429  313.131 11.784  11.80148       13.47857  
1 1 1 -13 32  6  o 108.300 2.7992  6354.83    328.342  6502.54    381.134  5929.66    646.619  109.543 3.2124  104.377 5.7418  5.166260       6.579329  
1 1 1 -13 32  7  o 299.296 5.6403  48609.42   1828.40  48789.71   1966.39  47458.48   4968.33  299.805 6.0557  293.343 15.694  6.461304       16.82203  
1 1 1 -13 32  8  o 106.168 2.4752  6106.71    284.621  5917.24    372.495  6372.54    441.203  104.492 3.2913  108.426 3.7570  -3.933723      4.994729  
1 1 1 -13 32  9  o 106.534 2.9170  6150.02    336.589  6178.50    471.311  6120.37    480.849  106.751 4.0763  106.244 4.1786  0.5065613      5.837564  
1 1 1 -13 32  10 o 263.656 5.4058  37726.09   1543.73  38366.08   2679.22  37408.03   1888.77  265.325 9.3231  262.399 6.6458  2.926086       11.44930  
1 1 1 -13 32  11 o 225.403 4.2184  27552.11   1029.86  25992.06   1455.66  29115.49   1457.21  218.760 6.1436  231.567 5.8100  -12.80682      8.455765  
1 1 1 -13 32  12 o 255.688 4.6598  35467.34   1290.48  34210.85   1825.13  36723.52   1824.90  250.879 6.7167  259.961 6.4813  -9.082687      9.333884  
1 1 1 -13 32  13 o 121.803 3.1122  8041.32    410.577  8048.50    580.910  8034.15    580.377  121.804 4.4033  121.696 4.4032  0.1085892      6.227083  
1 1 1 -13 32  14 o 65.479  3.2550  2324.38    230.851  2478.51    348.658  2204.06    308.045  67.404  4.8073  63.573  4.5029  3.830631       6.586795  
1 1 1 -13 32  15 o 208.319 4.0261  23543.04   908.411  22729.39   1285.49  24354.66   1283.89  204.493 5.8039  211.705 5.5992  -7.211807      8.064512  
1 1 1 -13 32  16 o 101.690 3.0247  5606.65    333.141  5898.09    483.290  5342.79    459.847  104.238 4.2807  99.210  4.2794  5.028259       6.052909  
1 1 1 -13 32  17 o 36.822  5.1292  751.291    199.008  741.057    311.047  758.383    258.944  36.105  8.1476  36.724  6.7591  -0.6193390     10.58627  
1 1 1 -13 32  18 o 102.947 3.0707  5749.83    342.386  5296.39    507.549  6128.50    463.816  98.679  4.7488  106.213 4.0318  -7.533394      6.229459  
1 1 1 -13 32  19 o 123.247 3.1253  8246.03    417.199  8221.18    601.993  8269.00    578.712  122.899 4.5224  123.281 4.3341  -0.3823242     6.263910  
1 1 1 -13 32  20 o 47.556  3.9107  1238.96    199.647  1288.58    421.115  1224.57    226.749  47.564  8.4855  47.191  4.4904  0.3738861      9.600382  
1 1 1 -13 32  21 o 83.146  2.7599  3755.33    248.542  3639.29    385.179  3838.11    325.333  81.547  4.3770  83.970  3.5771  -2.422226      5.652756  
1 1 1 -13 32  22 o 100.764 3.1365  5524.63    342.311  5514.77    676.240  5528.03    396.921  99.781  6.2894  100.713 3.6387  -0.9323578     7.266162  
1 1 1 -13 32  23 o 19.082  6.8357  174.288    179.270  -101.2056  364.516  262.180    205.890  19.501  8.6539  22.149  7.3522  -2.647470      11.35537  
1 1 1 -13 32  24 o 16.580  6.8008  58.294     195.255  53.254     402.538  59.844     223.281  22.451  9.5257  17.550  7.2440  4.900925       11.96721  
1 1 1 -13 32  25 o 42.185  4.9479  995.443    221.781  921.595    478.361  1015.66    250.308  38.778  10.923  42.437  5.5812  -3.658859      12.26645  
1 1 1 -13 32  26 o 26.424  7.1859  410.472    211.093  1017.18    474.358  260.657    235.720  40.402  10.679  22.329  7.8554  18.07364       13.25665  
1 1 1 -13 32  27 o 25.084  8.5832  352.959    280.540  0.0000     0.0000   352.959    280.540  ?       ?       25.084  8.5832  0.000000       8.583202  
1 1 1 -13 32  28 o 13.545  6.4726  -324.1117  267.080  0.0000     0.0000   -324.1117  267.080  ?       ?       13.545  6.4726  0.000000       6.472578  
1 1 1 -13 32  29 o 21.834  7.9187  260.349    241.467  0.0000     0.0000   260.349    241.467  ?       ?       21.834  7.9187  0.000000       7.918682  
1 1 1 -13 32  30 o 36.811  12.088  1061.62    557.108  0.0000     0.0000   1061.62    557.108  ?       ?       36.811  12.088  0.000000       12.08798  
1 1 1 -13 32  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 32  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 33  1  o 451.697 7.9169  110885.30  3873.21  112030.10  4470.81  107441.10  7754.73  453.765 9.0967  442.141 16.193  11.62399       18.57346  
1 1 1 -13 33  2  o 48.420  2.6778  1274.09    139.888  1208.01    153.161  1606.51    343.537  47.121  3.0168  54.085  5.9636  -6.963352      6.683275  
1 1 1 -13 33  3  o 231.873 4.4787  29150.22   1124.80  29978.19   1296.94  26637.31   2259.44  235.103 5.0932  221.216 9.4301  13.88756       10.71758  
1 1 1 -13 33  4  o 239.349 4.7395  31065.36   1228.67  32376.11   1328.62  23324.06   3228.84  244.326 5.0207  205.748 14.584  38.57825       15.42362  
1 1 1 -13 33  5  o 99.150  2.8884  5326.51    310.188  5719.87    355.153  4061.43    636.916  102.740 3.1916  86.204  6.8789  16.53574       7.583194  
1 1 1 -13 33  6  f 130.820 3.1349  9273.82    444.192  9438.59    500.980  8668.12    960.525  131.967 3.5050  126.122 7.0598  5.844833       7.881999  
1 1 1 -13 33  7  o 41.549  2.1203  937.592    95.099   1407.37    181.710  760.380    111.604  50.852  3.3173  37.359  2.7780  13.49344       4.326885  
1 1 1 -13 33  8  o 137.955 3.1438  10313.51   469.750  10555.46   647.218  10044.17   682.870  139.524 4.2828  136.088 4.6328  3.435577       6.309200  
1 1 1 -13 33  9  o 102.431 2.8426  5685.26    315.369  5758.41    444.534  5611.14    447.479  103.059 3.9824  101.730 4.0612  1.328712       5.687949  
1 1 1 -13 33  10 o 166.531 4.2658  15038.90   769.426  15290.76   1253.82  14886.76   974.494  167.736 6.9014  165.617 5.4326  2.119507       8.783061  
1 1 1 -13 33  11 o 247.818 4.5338  33312.48   1216.94  33111.80   1719.68  33513.79   1722.34  246.870 6.4315  248.367 6.4026  -1.497635      9.075059  
1 1 1 -13 33  12 o 139.590 3.1932  10561.37   482.782  10140.60   683.316  10980.77   682.199  136.718 4.6145  142.279 4.4269  -5.561096      6.394618  
1 1 1 -13 33  13 f 133.566 3.1551  9670.00    456.438  9593.75    648.220  9744.98    642.816  132.976 4.5007  134.024 4.4283  -1.047928      6.313953  
1 1 1 -13 33  14 o 268.312 4.8626  39080.66   1413.13  36635.57   1999.45  41520.96   1997.49  259.428 7.1158  276.269 6.6755  -16.84122      9.756866  
1 1 1 -13 33  15 o 116.017 3.0751  7297.05    386.413  7231.96    554.436  7358.53    538.840  115.432 4.4346  116.447 4.2723  -1.014999      6.157761  
1 1 1 -13 33  16 o 118.393 3.1486  7600.80    403.750  7494.84    587.287  7695.76    555.974  117.476 4.6156  119.062 4.3113  -1.585594      6.315984  
1 1 1 -13 33  17 o 183.989 3.7232  18373.56   741.952  18142.43   1054.77  18599.95   1043.87  182.615 5.3328  184.922 5.2118  -2.307175      7.456625  
1 1 1 -13 33  18 o 242.051 4.4651  31857.91   1170.61  32171.67   1659.72  31547.34   1651.29  242.749 6.3126  240.372 6.3426  2.376205       8.948627  
1 1 1 -13 33  19 o 94.329  3.0224  4830.17    308.793  4742.04    452.119  4907.22    422.757  93.334  4.4724  94.983  4.1093  -1.649841      6.073670  
1 1 1 -13 33  20 o 88.539  2.7657  4256.17    265.220  4209.72    596.937  4267.59    296.046  87.359  6.3524  88.630  3.0839  -1.271805      7.061401  
1 1 1 -13 33  21 o 34.535  5.2333  667.472    189.621  896.934    382.131  592.513    218.408  39.270  9.1533  32.245  6.4785  7.025146       11.21403  
1 1 1 -13 33  22 o 59.088  3.5555  1909.24    226.486  1606.88    453.937  2009.46    261.339  53.059  8.1604  60.547  4.0078  -7.488010      9.091420  
1 1 1 -13 33  23 o 101.451 3.0863  5605.29    339.127  5146.75    679.695  5757.27    391.314  96.057  6.5725  102.731 3.5168  -6.673882      7.454263  
1 1 1 -13 33  24 o 29.829  1.8895  484.986    60.731   478.847    62.823   572.581    237.302  29.631  1.9687  31.375  7.1432  -1.744219      7.409534  
1 1 1 -13 33  25 o 19.738  7.2730  180.816    204.851  425.861    450.786  117.042    229.968  29.025  10.771  18.872  7.5081  10.15270       13.12934  
1 1 1 -13 33  26 o 86.379  3.3294  4085.30    311.488  4368.00    655.526  4002.85    354.007  87.476  6.9769  85.352  3.8294  2.123260       7.958680  
1 1 1 -13 33  27 o 17.845  7.1212  107.164    207.463  361.221    471.254  46.089     231.059  27.664  10.828  17.300  7.2717  10.36387       13.04304  
1 1 1 -13 33  28 o 43.078  5.1269  1055.06    234.513  1189.15    520.878  1020.97    262.638  42.477  11.172  42.039  5.9331  0.4384384      12.64984  
1 1 1 -13 33  29 o 21.189  7.5585  248.931    218.963  219.689    497.930  255.942    243.801  24.919  10.585  21.705  7.9439  3.214186       13.23413  
1 1 1 -13 33  30 o 22.330  10.065  38.462     514.043  0.0000     0.0000   38.462     514.043  ?       ?       22.330  10.065  0.000000       10.06470  
1 1 1 -13 33  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 34  1  o 148.153 3.0700  11893.24   492.635  11840.68   549.047  12110.31   1115.78  147.815 3.4294  149.331 6.8986  -1.516266      7.703965  
1 1 1 -13 34  2  o 133.020 2.9706  9587.39    427.986  9131.84    489.645  11062.15   881.006  129.809 3.4826  142.786 5.6967  -12.97696      6.676914  
1 1 1 -13 34  3  o 211.632 3.9884  24278.20   914.222  24003.32   1053.37  25117.28   1840.44  210.397 4.6225  214.960 7.9048  -4.563416      9.157157  
1 1 1 -13 34  4  o 304.381 5.3733  50261.64   1771.44  50268.63   2043.82  50240.55   3551.56  304.313 6.2009  303.508 10.804  0.8051758      12.45688  
1 1 1 -13 34  5  o 222.834 4.1529  26919.67   1002.31  26474.38   1155.56  28272.45   2014.11  220.942 4.8289  228.016 8.1555  -7.073776      9.477846  
1 1 1 -13 34  6  o 328.522 6.0748  58585.63   2161.56  59022.37   2320.50  55721.07   5942.83  329.688 6.4984  317.280 17.359  12.40842       18.53571  
1 1 1 -13 34  7  o 328.618 5.4214  58596.84   1929.62  58219.80   2352.49  59372.11   3373.36  327.400 6.6341  330.130 9.4343  -2.730530      11.53325  
1 1 1 -13 34  8  o 283.460 5.3601  43599.76   1645.63  43765.05   2171.08  43376.55   2522.88  283.790 7.0633  282.351 8.2497  1.438843       10.86036  
1 1 1 -13 34  9  o 259.704 4.6569  36582.66   1309.91  37897.38   1851.63  35265.48   1853.36  264.138 6.4722  254.771 6.7165  9.366409       9.327400  
1 1 1 -13 34  10 o 69.431  2.6759  2612.04    201.234  2844.09    446.771  2552.98    225.391  72.149  5.7653  68.636  3.0319  3.513176       6.513955  
1 1 1 -13 34  11 o 179.408 3.6174  17449.16   702.917  17677.81   997.119  17223.28   991.059  180.486 5.1007  178.148 5.1363  2.338058       7.238695  
1 1 1 -13 34  12 o 72.714  2.5597  2865.00    201.596  2829.15    336.234  2885.12    251.893  72.091  4.3261  72.958  3.1877  -0.8665085     5.373703  
1 1 1 -13 34  13 o 270.838 4.8789  39813.46   1431.22  39800.71   2023.18  39826.23   2024.91  270.492 6.9057  270.578 6.9095  -0.8605957E-01 9.768815  
1 1 1 -13 34  14 o 169.675 3.5461  15611.38   651.683  14950.95   921.870  16271.09   921.367  165.930 5.1295  173.120 4.9138  -7.190094      7.103320  
1 1 1 -13 34  15 o 126.595 3.1840  8689.51    436.576  8478.57    630.068  8884.31    605.490  124.965 4.6551  127.939 4.3695  -2.974487      6.384575  
1 1 1 -13 34  16 o 103.475 3.0838  5806.03    345.619  5925.05    493.158  5691.15    484.514  104.462 4.3587  102.378 4.3695  2.083290       6.171759  
1 1 1 -13 34  17 o 100.867 2.8889  5517.58    315.611  5656.10    436.417  5365.69    456.976  102.062 3.9479  99.387  4.2451  2.675102       5.797158  
1 1 1 -13 34  18 o 204.711 3.9736  22772.05   881.033  23361.65   1251.46  22192.69   1240.55  207.002 5.5818  201.734 5.6776  5.268753       7.961874  
1 1 1 -13 34  19 o 107.706 2.9556  6297.34    344.790  6255.00    485.812  6340.31    489.422  107.215 4.1835  107.943 4.1862  -0.7283478     5.918303  
1 1 1 -13 34  20 o 91.943  3.3948  4596.54    338.070  5544.29    609.626  4175.64    406.262  100.473 5.6246  87.528  4.2854  12.94536       7.071119  
1 1 1 -13 34  21 o 44.611  4.2367  1095.63    202.256  554.527    405.027  1275.39    233.446  31.655  10.303  48.109  4.5335  -16.45406      11.25595  
1 1 1 -13 34  22 o 83.758  3.1275  3817.90    283.723  3989.98    568.240  3760.76    327.463  84.795  6.2308  83.057  3.6401  1.738739       7.216174  
1 1 1 -13 34  23 o 39.682  1.7823  854.409    76.601   978.598    392.938  849.503    78.100   40.747  9.1299  39.566  1.8225  1.180756       9.309970  
1 1 1 -13 34  24 o 20.340  7.2688  202.788    202.591  116.889    440.835  225.787    228.105  24.178  10.095  21.467  7.7086  2.711004       12.70194  
1 1 1 -13 34  25 o 58.960  3.9255  1915.38    249.248  2024.51    531.684  1884.65    282.176  58.818  8.6000  58.326  4.5015  0.4921494      9.706866  
1 1 1 -13 34  26 o 52.248  2.3727  1486.78    134.270  1493.86    154.327  1464.74    272.358  52.253  2.7364  51.144  4.9799  1.109306       5.682184  
1 1 1 -13 34  27 o 39.290  5.4796  880.566    226.838  701.410    498.906  927.254    254.686  33.669  11.447  40.125  6.0480  -6.456245      12.94614  
1 1 1 -13 34  28 f 57.977  4.0933  1873.33    255.390  2076.91    553.864  1818.36    287.813  58.071  9.1053  56.855  4.7164  1.216423       10.25429  
1 1 1 -13 34  29 o 45.550  4.9829  1191.36    241.824  977.707    536.446  1245.84    270.912  36.782  11.847  46.306  5.5097  -9.523979      13.06542  
1 1 1 -13 34  30 o 21.063  8.3697  218.982    285.464  -297.1664  505.136  461.168    346.015  19.314  9.1345  26.482  9.4957  -7.167456      13.17603  
1 1 1 -13 34  31 o 32.229  9.7369  751.952    368.579  876.292    544.815  647.016    500.500  32.692  11.889  29.246  11.238  3.445803       16.35944  
1 1 1 -13 34  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 35  1  o 176.117 3.5706  16810.51   681.105  16484.82   783.091  17822.33   1380.25  174.379 4.1462  181.138 7.0352  -6.758759      8.166075  
1 1 1 -13 35  2  o 298.173 5.3792  48232.47   1737.23  49380.51   2004.10  44762.29   3484.31  301.621 6.1346  286.402 11.232  15.21841       12.79838  
1 1 1 -13 35  3  o 64.368  2.2337  2244.50    155.730  2275.17    168.745  2068.33    404.379  64.805  2.4041  61.423  6.1615  3.382545       6.613863  
1 1 1 -13 35  4  o 297.276 5.2768  47941.50   1699.01  48415.57   1960.32  46510.36   3406.01  298.660 6.0601  292.007 10.769  6.652679       12.35719  
1 1 1 -13 35  5  o 211.437 4.0608  24235.82   929.968  24223.98   1072.10  24271.82   1869.05  211.349 4.6834  211.258 8.1684  0.9115601E-01  9.415792  
1 1 1 -13 35  6  o 217.802 4.3555  25722.09   1027.46  26161.57   1115.64  23266.89   2636.92  219.633 4.6898  205.992 11.869  13.64120       12.76206  
1 1 1 -13 35  7  o 167.510 3.6153  15209.20   655.935  15243.30   886.028  15167.83   975.708  167.637 4.8799  167.192 5.3881  0.4450226      7.269433  
1 1 1 -13 35  8  o 231.038 4.2210  28943.45   1056.24  29817.29   1493.63  28069.31   1493.88  234.361 5.8842  227.370 6.0661  6.990570       8.451156  
1 1 1 -13 35  9  o 312.644 5.5066  53052.46   1864.67  51323.45   2635.68  54785.05   2638.41  307.142 7.9229  317.376 7.6753  -10.23367      11.03098  
1 1 1 -13 35  10 f 307.353 6.0730  51303.52   2021.68  51101.13   3506.18  51404.32   2474.44  305.866 10.584  307.439 7.4310  -1.573120      12.93184  
1 1 1 -13 35  11 o 134.736 3.2670  9839.78    476.770  9387.67    656.844  10343.22   693.126  131.548 4.6101  138.080 4.6346  -6.531570      6.536992  
1 1 1 -13 35  12 o 216.212 4.1433  25354.39   970.269  24664.22   1371.82  26045.26   1372.51  213.079 5.9441  218.981 5.7868  -5.901978      8.295776  
1 1 1 -13 35  13 o 107.993 3.0819  6321.71    360.479  6499.32    517.549  6154.35    502.379  109.449 4.3659  106.505 4.3550  2.943817       6.166603  
1 1 1 -13 35  14 o 137.917 3.2105  10312.12   479.583  10345.57   683.070  10279.60   673.498  138.063 4.5679  137.626 4.5182  0.4376221      6.424950  
1 1 1 -13 35  15 o 151.129 3.3415  12386.01   546.963  12790.98   778.760  11991.76   768.388  153.478 4.6848  148.598 4.7742  4.879959       6.688767  
1 1 1 -13 35  16 o 172.450 3.6057  16135.50   673.471  15998.30   953.908  16271.86   950.963  171.550 5.1339  173.018 5.0746  -1.468002      7.218624  
1 1 1 -13 35  17 o 140.118 3.2460  10652.37   492.623  10934.05   704.662  10383.10   688.952  141.827 4.5873  138.205 4.6025  3.621155       6.498149  
1 1 1 -13 35  18 o 153.853 3.3846  12852.43   564.007  13448.58   805.302  12278.47   790.167  157.186 4.7301  150.172 4.8580  7.014511       6.780468  
1 1 1 -13 35  19 o 135.326 3.2053  9947.09    469.812  10098.37   674.022  9804.14    655.206  136.143 4.5710  134.156 4.5092  1.987183       6.420794  
1 1 1 -13 35  20 o 89.828  3.2284  4386.58    314.099  4611.10    466.199  4199.94    425.052  91.785  4.7054  87.628  4.4936  4.156845       6.506374  
1 1 1 -13 35  21 o 18.637  6.7522  160.219    175.497  21.237     350.777  206.623    202.688  20.868  8.8744  20.586  7.2797  0.2815990      11.47825  
1 1 1 -13 35  22 o 95.089  3.0732  4920.68    316.509  4239.28    629.342  5151.38    366.189  87.219  6.7136  97.225  3.4774  -10.00597      7.560710  
1 1 1 -13 35  23 o 85.444  2.8095  3973.22    260.003  3597.53    411.023  4223.84    335.704  80.811  4.7164  87.973  3.5232  -7.162064      5.887070  
1 1 1 -13 35  24 o 54.744  4.0660  1651.17    239.370  2299.52    506.558  1464.77    271.608  63.490  7.5120  51.329  4.9468  12.16069       8.994500  
1 1 1 -13 35  25 f 67.040  3.6693  2469.72    265.424  3175.36    565.159  2270.03    300.643  74.665  7.0728  64.072  4.3582  10.59308       8.307752  
1 1 1 -13 35  26 o 64.042  2.7581  2238.68    191.315  2234.10    557.538  2239.29    203.682  61.446  8.6141  64.017  2.9376  -2.570744      9.101249  
1 1 1 -13 35  27 o 70.105  2.7048  2685.00    205.376  2749.75    273.926  2601.89    310.366  70.623  3.5930  68.469  4.2055  2.154335       5.531335  
1 1 1 -13 35  28 o 29.482  1.4624  472.233    46.697   479.501    47.589   283.769    242.344  29.707  1.4790  22.662  7.9655  7.045374       8.101670  
1 1 1 -13 35  29 o 38.887  1.9774  827.763    83.011   474.596    516.577  837.125    84.104   28.248  11.248  39.104  1.9924  -10.85515      11.42335  
1 1 1 -13 35  30 o 30.383  8.5889  617.340    295.210  719.824    519.502  568.464    358.764  31.078  11.557  28.727  9.7070  2.350739       15.09240  
1 1 1 -13 35  31 o 22.848  9.2231  290.680    352.358  -9.2963    519.254  546.705    479.710  21.462  9.8438  27.643  10.892  -6.180725      14.68136  
1 1 1 -13 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 36  1  o 73.029  2.5648  2889.37    202.872  2798.03    226.879  3253.75    453.149  71.861  2.9150  77.250  5.4509  -5.389160      6.181374  
1 1 1 -13 36  2  o 129.266 2.9626  9054.17    414.796  9028.54    476.953  9133.74    840.319  129.072 3.4117  129.724 5.9807  -0.6525269     6.885398  
1 1 1 -13 36  3  o 217.346 4.2799  25612.00   1007.53  25010.41   1093.85  28978.89   2587.74  214.753 4.7027  230.550 10.363  -15.79648      11.38014  
1 1 1 -13 36  4  o 262.217 4.7310  37288.80   1343.63  36496.68   1549.54  39689.26   2697.46  259.351 5.5163  269.989 9.2244  -10.63840      10.74797  
1 1 1 -13 36  5  o 112.464 2.9198  6853.50    355.666  7197.88    408.147  5766.76    725.038  115.247 3.2698  102.842 6.5431  12.40546       7.314623  
1 1 1 -13 36  6  o 272.156 4.5636  40168.27   1345.23  39832.42   1645.88  40844.12   2334.78  270.920 5.6090  274.060 7.8656  -3.140381      9.660650  
1 1 1 -13 36  7  o 171.070 3.6667  15863.25   679.393  15315.45   915.042  16536.21   1014.21  168.022 5.0281  174.569 5.3640  -6.546906      7.352183  
1 1 1 -13 36  8  o 104.496 2.7995  5916.77    316.843  6032.13    447.956  5801.28    448.211  105.482 3.9209  103.441 4.0005  2.040451       5.601605  
1 1 1 -13 36  9  o 106.199 2.8914  6111.60    332.583  6007.39    466.368  6219.45    474.424  105.257 4.0908  107.099 4.0899  -1.841660      5.784618  
1 1 1 -13 36  10 o 398.628 7.8953  86474.86   3408.84  83371.16   5903.81  88027.09   4175.13  389.386 13.998  401.724 9.5956  -12.33783      16.97155  
1 1 1 -13 36  11 o 281.030 5.0362  42861.07   1532.95  42148.73   2167.10  43574.50   2168.75  278.380 7.1874  283.068 7.0737  -4.688263      10.08444  
1 1 1 -13 36  12 o 417.783 7.0522  94950.12   3191.16  90841.73   4512.31  99060.95   4513.65  407.638 10.220  425.846 9.7860  -18.20813      14.14974  
1 1 1 -13 36  13 o 215.270 4.1105  25138.43   958.394  23550.66   1355.15  26727.26   1355.60  208.161 6.0106  221.803 5.6428  -13.64211      8.244274  
1 1 1 -13 36  14 o 138.122 3.2531  10343.59   486.663  10090.39   696.164  10585.58   680.590  136.334 4.7145  139.655 4.4995  -3.320343      6.517024  
1 1 1 -13 36  15 o 134.034 3.2551  9742.19    472.553  9148.31    659.518  10368.75   677.423  129.790 4.6915  138.190 4.5260  -8.399857      6.518820  
1 1 1 -13 36  16 o 253.152 4.9323  34834.52   1352.38  34284.47   1792.33  35561.65   2060.75  250.779 6.5987  255.175 7.4562  -4.395615      9.956747  
1 1 1 -13 36  17 o 54.865  3.6515  1641.47    215.748  1761.96    335.974  1556.91    281.444  56.608  5.5511  53.271  4.9339  3.337299       7.426899  
1 1 1 -13 36  18 o 221.985 4.2226  26800.42   1015.24  26531.32   1439.65  27066.64   1431.93  220.381 6.0313  222.622 5.9386  -2.241592      8.464260  
1 1 1 -13 36  19 o 120.705 3.1340  7913.96    409.722  8015.04    596.862  7823.87    563.448  121.273 4.5440  119.851 4.3405  1.422066       6.283969  
1 1 1 -13 36  20 o 94.372  3.1780  4841.70    324.837  5175.59    477.027  4553.01    443.572  97.380  4.5228  91.341  4.4836  6.038452       6.368522  
1 1 1 -13 36  21 o 80.612  3.1332  3534.93    273.562  3742.86    543.688  3464.44    316.552  82.211  6.1505  79.739  3.6653  2.471626       7.159795  
1 1 1 -13 36  22 o 62.105  2.4935  2095.75    167.728  2115.90    215.056  2064.47    267.989  62.255  3.2002  61.342  4.0565  0.9133263      5.166836  
1 1 1 -13 36  23 o 45.723  4.1974  1154.18    205.547  1511.77    409.082  1033.40    237.736  51.417  7.5725  43.016  5.2088  8.400906       9.191029  
1 1 1 -13 36  24 o 48.415  4.4383  1298.44    230.146  1839.22    491.085  1146.24    260.528  56.336  8.2967  45.208  5.4293  11.12830       9.915270  
1 1 1 -13 36  25 o 66.422  3.6918  2425.88    264.548  2917.25    558.123  2283.50    300.442  71.367  7.3242  64.251  4.3428  7.116257       8.514948  
1 1 1 -13 36  26 o 19.898  7.3348  188.573    208.377  249.721    456.182  172.451    234.243  25.905  10.481  20.089  7.6953  5.816008       13.00283  
1 1 1 -13 36  27 o 59.602  3.9937  1969.54    256.322  2670.68    552.472  1777.22    289.348  67.484  7.6963  56.316  4.7892  11.16796       9.064706  
1 1 1 -13 36  28 o 48.353  4.6515  1319.75    240.602  1377.96    526.057  1304.36    270.559  45.721  10.796  47.775  5.3189  -2.054794      12.03500  
1 1 1 -13 36  29 o 34.596  1.3513  650.773    50.633   667.747    51.717   258.498    248.622  35.043  1.3626  21.645  8.0055  13.39765       8.120614  
1 1 1 -13 36  30 o 35.870  9.2678  882.923    362.637  830.799    527.354  929.681    499.473  32.814  11.727  34.828  11.446  -2.013615      16.38735  
1 1 1 -13 36  31 o 22.988  10.081  199.572    481.003  0.0000     0.0000   199.572    481.003  ?       ?       22.988  10.081  0.000000       10.08081  
1 1 1 -13 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 37  1  o 70.817  2.6122  2717.09    200.358  2701.07    224.087  2780.91    447.370  70.604  2.9303  71.345  5.8406  -0.7409363     6.534472  
1 1 1 -13 37  2  o 156.760 3.3507  13317.41   568.910  12785.62   652.974  14993.08   1159.10  153.578 3.9255  166.170 6.4402  -12.59247      7.542248  
1 1 1 -13 37  3  o 210.911 4.0108  24115.10   916.222  24072.54   1055.65  24245.07   1844.62  210.689 4.6260  211.147 8.0659  -0.4578247     9.298306  
1 1 1 -13 37  4  o 170.922 3.5629  15834.32   659.596  14946.03   770.855  18262.63   1274.52  166.028 4.2867  183.390 6.4166  -17.36220      7.716722  
1 1 1 -13 37  5  o 235.921 4.6072  30184.64   1177.26  30329.15   1274.35  29343.23   3074.99  236.457 4.9759  231.288 12.319  5.168777       13.28629  
1 1 1 -13 37  6  o 302.406 5.4074  49623.46   1771.11  47938.29   2504.16  51310.18   2505.30  296.909 7.7870  307.215 7.5292  -10.30582      10.83169  
1 1 1 -13 37  7  o 92.083  2.6135  4594.22    260.658  4678.91    384.595  4522.27    354.494  92.903  3.8221  91.340  3.5832  1.562706       5.239110  
1 1 1 -13 37  8  o 204.797 3.8545  22738.36   855.003  22349.92   1209.52  23126.34   1208.80  202.926 5.5031  206.428 5.4065  -3.502609      7.714502  
1 1 1 -13 37  9  o 228.315 4.2919  28269.40   1061.34  28885.04   1500.98  27653.79   1500.95  230.632 6.0087  225.650 6.1413  4.982742       8.591912  
1 1 1 -13 37  10 o 121.571 4.3514  8016.00    572.969  7694.70    802.041  8350.89    818.820  118.852 6.2525  123.995 6.0970  -5.143288      8.733063  
1 1 1 -13 37  11 o 413.454 7.0218  92966.12   3144.44  90571.50   4445.55  95363.67   4448.28  407.188 10.080  417.911 9.8274  -10.72260      14.07779  
1 1 1 -13 37  12 o 194.163 3.8332  20444.29   806.118  19576.04   1139.39  21314.49   1140.66  189.854 5.5409  198.127 5.3155  -8.273331      7.678283  
1 1 1 -13 37  13 o 97.706  3.0142  5174.65    318.981  5280.66    446.624  5064.27    455.729  98.659  4.1796  96.609  4.3553  2.049980       6.036348  
1 1 1 -13 37  14 f 52.371  3.6097  1494.58    203.504  1564.25    291.989  1428.77    283.784  53.422  5.1086  51.022  5.2083  2.400486       7.295494  
1 1 1 -13 37  15 o 164.555 3.4772  14687.91   619.733  15124.92   877.354  14252.72   875.518  166.857 4.8547  161.960 4.9910  4.896912       6.962592  
1 1 1 -13 37  16 o 165.829 3.5199  14922.08   632.209  15251.64   903.552  14606.00   884.897  167.484 4.9809  163.900 4.9848  3.583847       7.046805  
1 1 1 -13 37  17 o 195.040 3.8689  20663.15   817.300  20096.88   1159.55  21222.23   1152.16  192.038 5.5748  197.382 5.3893  -5.343735      7.753947  
1 1 1 -13 37  18 o 85.671  2.7418  3982.28    254.413  3948.09    338.303  4026.78    385.980  85.239  3.6644  86.044  4.1417  -0.8049240     5.529984  
1 1 1 -13 37  19 o 74.436  3.2000  3010.48    257.988  2944.89    401.530  3056.59    336.677  73.265  5.0916  74.804  4.1721  -1.538780      6.582601  
1 1 1 -13 37  20 o 170.883 3.6621  15897.84   677.795  15275.16   965.802  16502.16   951.454  167.008 5.3393  173.685 5.0577  -6.677521      7.354479  
1 1 1 -13 37  21 o 104.218 2.9296  5905.53    330.693  5294.77    594.744  6178.86    397.867  98.003  5.6266  106.520 3.4485  -8.517143      6.599298  
1 1 1 -13 37  22 o 57.881  3.5928  1834.13    224.122  1702.23    442.023  1879.77    260.025  54.702  7.6715  58.498  4.1305  -3.796310      8.712809  
1 1 1 -13 37  23 o 55.778  2.4188  1691.30    146.128  1678.81    177.223  1717.82    258.270  55.442  2.9620  55.826  4.3046  -0.3837967     5.225235  
1 1 1 -13 37  24 o 26.103  7.1275  396.000    207.179  550.490    447.081  353.751    233.798  31.366  10.831  24.973  7.7943  6.393497       13.34367  
1 1 1 -13 37  25 o 54.041  4.1707  1616.07    242.228  2342.05    516.201  1411.07    274.304  63.687  7.6356  50.199  5.1166  13.48768       9.191388  
1 1 1 -13 37  26 f 20.503  1.6505  229.793    36.342   230.553    36.779   198.346    236.555  20.535  1.6681  20.729  7.7806  -0.1945610     7.957348  
1 1 1 -13 37  27 o 32.837  6.4810  633.192    222.318  620.338    488.861  636.544    249.624  32.033  11.308  32.655  7.2470  -0.6222191     13.43091  
1 1 1 -13 37  28 o 38.813  5.6679  873.528    231.240  1191.57    509.334  790.951    259.529  42.108  11.035  36.371  6.8392  5.736980       12.98213  
1 1 1 -13 37  29 o 27.341  7.3571  471.167    222.653  26.886     480.075  592.920    251.316  21.973  9.8291  30.561  7.6191  -8.587200      12.43626  
1 1 1 -13 37  30 o 28.464  2.2696  447.471    69.389   435.853    70.111   1002.53    484.604  28.075  2.3266  36.362  11.201  -8.286945      11.43965  
1 1 1 -13 37  31 o 46.917  10.969  1672.04    547.440  0.0000     0.0000   1672.04    547.440  ?       ?       46.917  10.969  0.000000       10.96929  
1 1 1 -13 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 38  1  o 143.072 3.2792  11093.23   508.154  11312.90   588.849  10452.44   1005.70  144.466 3.7633  138.724 6.6934  5.742004       7.678830  
1 1 1 -13 38  2  o 80.861  2.8828  3542.88    252.479  3932.51    285.587  2148.69    540.227  85.188  3.0952  62.322  8.2025  22.86599       8.767067  
1 1 1 -13 38  3  o 235.932 4.6023  30187.07   1176.07  31278.06   1355.98  26874.54   2362.78  240.110 5.2140  222.061 9.8239  18.04926       11.12179  
1 1 1 -13 38  4  o 119.157 3.0659  7693.92    395.682  8149.19    449.192  6117.26    835.919  122.623 3.3821  105.841 7.3372  16.78232       8.079193  
1 1 1 -13 38  5  o 266.947 4.2821  38639.51   1238.08  38096.97   1597.76  39454.82   1958.67  264.952 5.5677  269.504 6.7100  -4.552094      8.719152  
1 1 1 -13 38  6  o 147.704 3.1771  11823.13   508.263  11975.58   717.464  11669.55   720.130  148.603 4.4576  146.689 4.5326  1.914490       6.357235  
1 1 1 -13 38  7  f 409.531 7.4794  91191.46   3317.59  91072.64   4348.69  91356.91   5131.45  408.671 9.8246  408.757 11.591  -0.8639526E-01 15.19418  
1 1 1 -13 38  8  o 271.954 4.9728  40126.43   1464.78  41281.05   2070.97  38970.63   2072.03  275.599 6.9379  267.747 7.1450  7.852417       9.959176  
1 1 1 -13 38  9  o 349.274 5.9957  66249.06   2268.18  65005.48   3207.60  67492.78   3207.79  345.480 8.5721  352.064 8.4123  -6.584320      12.01031  
1 1 1 -13 38  10 o 139.514 4.5649  10558.84   689.795  10488.97   967.504  10631.07   983.734  138.935 6.4294  139.868 6.4937  -0.9332123     9.138112  
1 1 1 -13 38  11 o 88.717  2.9353  4265.64    282.048  4249.20    396.464  4282.48    401.333  88.513  4.1355  88.857  4.1700  -0.3448792     5.872962  
1 1 1 -13 38  12 o 210.335 4.0783  23997.26   929.105  23479.59   1313.20  24516.13   1314.71  207.878 5.8324  212.432 5.7140  -4.553070      8.164998  
1 1 1 -13 38  13 o 233.736 4.6284  29652.82   1171.73  28941.04   1556.32  30584.26   1780.33  230.705 6.2283  237.049 6.9341  -6.344269      9.320644  
1 1 1 -13 38  14 o 117.782 3.0765  7521.33    392.468  7875.11    557.134  7172.85    552.957  120.457 4.2703  114.950 4.4413  5.506569       6.161232  
1 1 1 -13 38  15 f 128.609 3.1562  8969.87    439.643  9553.28    633.555  8428.00    610.580  132.637 4.4101  124.572 4.5254  8.065300       6.318857  
1 1 1 -13 38  16 o 176.091 3.6327  16830.08   692.838  16521.46   983.633  17133.96   976.054  174.262 5.2115  177.484 5.0774  -3.221481      7.275971  
1 1 1 -13 38  17 o 98.921  2.9904  5309.50    320.394  5692.37    463.340  4958.68    443.521  102.333 4.1804  95.501  4.2878  6.831551       5.988400  
1 1 1 -13 38  18 o 43.484  2.2592  1028.15    106.036  1328.54    286.846  980.609    114.119  49.032  5.4959  42.444  2.4933  6.587837       6.034987  
1 1 1 -13 38  19 o 91.455  2.8280  4541.80    280.132  4912.53    389.073  4142.74    403.663  95.013  3.7807  87.194  4.2743  7.819641       5.706457  
1 1 1 -13 38  20 o 35.464  5.4295  704.626    201.916  696.809    308.014  710.517    267.382  34.710  8.3044  35.228  7.2494  -0.5181503     11.02344  
1 1 1 -13 38  21 o 15.527  1.9545  132.857    32.142   222.161    341.831  132.060    32.285   23.969  9.2661  15.477  1.9706  8.492033       9.473362  
1 1 1 -13 38  22 o 146.965 3.4657  11777.64   551.660  12069.69   1214.90  11701.78   619.174  146.645 7.6757  146.355 3.9060  0.2894745      8.612360  
1 1 1 -13 38  23 o 119.363 3.1699  7767.48    409.813  9121.55    843.813  7349.50    468.817  128.213 6.0764  115.958 3.7328  12.25521       7.131325  
1 1 1 -13 38  24 o 61.691  2.4960  2071.20    166.777  2166.45    205.077  1885.16    286.595  63.024  3.0043  58.348  4.5715  4.675488       5.470319  
1 1 1 -13 38  25 o 43.252  4.9371  1048.83    227.143  1881.38    486.647  816.932    256.836  56.720  8.1560  37.606  6.5432  19.11409       10.45634  
1 1 1 -13 38  26 o 101.591 3.0634  5647.76    337.072  6479.08    737.530  5428.27    378.966  106.794 6.4058  99.432  3.5189  7.361397       7.308687  
1 1 1 -13 38  27 o 82.430  2.9254  3720.67    261.180  3693.57    382.357  3744.36    357.611  81.480  4.3483  82.293  4.0122  -0.8124847     5.916500  
1 1 1 -13 38  28 o 15.957  6.8185  24.910     208.864  496.138    448.500  -105.5857  236.019  28.759  10.729  14.793  6.7281  13.96565       12.66426  
1 1 1 -13 38  29 o 33.374  6.5000  680.363    226.510  913.263    472.014  610.683    258.180  35.363  11.081  30.903  7.7324  4.460016       13.51203  
1 1 1 -13 38  30 o 28.412  9.4261  556.483    338.444  521.147    470.382  594.411    487.331  27.707  10.825  28.892  11.092  -1.185032      15.49896  
1 1 1 -13 38  31 o 18.619  8.7763  -210.5131  459.219  0.0000     0.0000   -210.5131  459.219  ?       ?       18.619  8.7763  0.000000       8.776285  
1 1 1 -13 38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 39  1  o 91.462  2.4202  4531.98    239.755  4667.62    280.437  4163.56    462.191  92.814  2.7896  87.476  4.8979  5.338417       5.636647  
1 1 1 -13 39  2  o 77.284  2.6943  3236.16    225.530  3162.93    253.535  3513.81    493.662  76.399  3.0639  80.261  5.7161  -3.862175      6.485487  
1 1 1 -13 39  3  o 114.497 2.8242  7103.33    350.241  6737.43    399.510  8318.44    728.036  111.498 3.3082  123.814 5.4289  -12.31631      6.357440  
1 1 1 -13 39  4  o 267.489 4.8508  38810.28   1405.36  38752.22   1620.89  38986.10   2820.56  267.217 5.6004  267.446 9.7371  -0.2286682     11.23280  
1 1 1 -13 39  5  o 136.372 3.1692  10078.50   468.108  10631.32   679.469  9579.08    645.820  140.014 4.4805  132.904 4.4864  7.109711       6.340604  
1 1 1 -13 39  6  o 186.472 3.6508  18848.55   737.344  18664.26   1042.16  19033.27   1043.37  185.469 5.1879  187.296 5.1433  -1.827530      7.305307  
1 1 1 -13 39  7  o 194.972 3.6628  20606.78   773.486  20599.42   1092.20  20614.18   1095.55  194.841 5.1755  194.910 5.1895  -0.6877136E-01 7.329190  
1 1 1 -13 39  8  o 303.631 5.3331  50034.41   1753.86  49165.41   2479.43  50904.69   2481.24  300.647 7.6142  305.940 7.4879  -5.293671      10.67921  
1 1 1 -13 39  9  o 352.517 6.1257  67497.78   2338.88  68960.45   3307.17  66034.23   3308.18  355.809 8.5816  348.133 8.7735  7.676514       12.27269  
1 1 1 -13 39  10 o 151.025 4.7404  12375.52   775.413  12879.13   1089.81  11859.17   1103.52  153.936 6.5364  147.685 6.8988  6.251404       9.503570  
1 1 1 -13 39  11 o 86.247  3.0093  4031.70    281.112  4093.50    394.971  3968.25    400.184  86.872  4.1978  85.418  4.3398  1.453712       6.037791  
1 1 1 -13 39  12 o 225.951 4.2689  27698.26   1044.73  27854.75   1475.31  27540.84   1479.65  226.388 6.0167  225.101 6.0689  1.286270       8.545911  
1 1 1 -13 39  13 o 161.014 3.4577  14058.33   603.006  13230.45   855.737  14874.87   849.852  156.084 5.0619  165.529 4.7402  -9.444366      6.934862  
1 1 1 -13 39  14 o 200.084 3.9350  21722.42   852.767  20512.71   1206.72  22929.22   1205.27  194.222 5.7364  205.389 5.4180  -11.16728      7.890544  
1 1 1 -13 39  15 o 113.710 3.0495  7011.86    375.572  7561.74    536.071  6481.76    526.340  118.012 4.1940  109.242 4.4484  8.769562       6.113754  
1 1 1 -13 39  16 o 229.253 4.3236  28558.66   1073.58  27577.11   1520.45  29534.58   1516.09  224.868 6.2428  232.770 6.0135  -7.902786      8.667986  
1 1 1 -13 39  17 o 50.744  3.7208  1406.31    203.074  1413.12    314.539  1401.44    265.924  50.556  5.8524  50.496  4.9249  0.6031418E-01  7.648900  
1 1 1 -13 39  18 o 59.253  3.4073  1913.90    217.749  2025.24    334.615  1832.12    286.777  60.713  5.1367  57.807  4.6188  2.905365       6.907941  
1 1 1 -13 39  19 o 139.523 3.2854  10582.81   496.489  11314.48   733.193  9963.17    674.728  143.977 4.7017  135.127 4.6102  8.850677       6.584798  
1 1 1 -13 39  20 f 69.293  2.7051  2608.35    203.022  2554.14    249.807  2713.84    348.439  68.510  3.3665  70.328  4.5997  -1.817215      5.700052  
1 1 1 -13 39  21 o 132.643 3.7151  9593.15    533.727  9537.65    920.778  9621.23    654.987  131.355 6.4720  132.609 4.5603  -1.253784      7.917233  
1 1 1 -13 39  22 o 106.614 3.1086  6190.93    358.963  6680.76    712.033  6024.01    415.648  109.742 6.0133  105.053 3.6530  4.689186       7.035923  
1 1 1 -13 39  23 o 47.003  1.4867  1198.28    75.685   1287.63    80.300   487.349    226.508  48.723  1.5217  28.931  7.2447  19.79193       7.402740  
1 1 1 -13 39  24 o 65.272  3.7838  2341.73    266.352  1992.47    537.186  2455.58    306.709  58.330  8.7746  66.714  4.2670  -8.383804      9.757063  
1 1 1 -13 39  25 o 21.139  2.2450  245.883    50.616   233.647    51.719   523.607    246.401  20.583  2.3627  29.719  7.6192  -9.135666      7.977088  
1 1 1 -13 39  26 o 56.454  4.1185  1767.86    250.092  1691.68    518.968  1790.90    285.420  52.719  9.4352  56.624  4.6962  -3.905293      10.53934  
1 1 1 -13 39  27 o 61.272  3.8958  2082.66    257.194  2675.89    523.826  1894.22    295.230  67.615  7.2668  58.093  4.7332  9.522411       8.672326  
1 1 1 -13 39  28 o 5.6349  2.4726  -7.0908    28.975   -9.0988    29.197   123.426    235.389  5.5681  2.4611  18.624  7.5313  -13.05602      7.923183  
1 1 1 -13 39  29 o 19.588  7.4137  198.785    215.776  -137.9215  449.672  299.506    245.941  19.669  9.0722  22.457  8.0106  -2.788198      12.10268  
1 1 1 -13 39  30 o 23.750  9.1581  337.474    333.242  585.422    464.180  73.763     478.707  28.653  10.867  21.932  9.8125  6.720501       14.64140  
1 1 1 -13 39  31 f 19.839  9.1857  -78.8125   467.584  0.0000     0.0000   -78.8125   467.584  ?       ?       19.839  9.1857  0.000000       9.185664  
1 1 1 -13 39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 40  1  o 308.864 5.4876  51768.53   1835.77  52203.04   2117.57  50454.14   3682.98  310.055 6.3056  303.935 11.188  6.120392       12.84251  
1 1 1 -13 40  2  o 207.953 3.9751  23444.48   895.330  23332.33   1030.88  23788.79   1806.32  207.418 4.5887  209.134 7.9744  -1.715958      9.200422  
1 1 1 -13 40  3  o 131.135 3.0025  9318.45    426.447  8893.81    488.159  10686.61   876.244  128.097 3.5185  140.315 5.7657  -12.21812      6.754439  
1 1 1 -13 40  4  o 195.978 3.4607  20816.93   734.584  19993.82   947.601  22056.43   1162.85  192.006 4.5566  201.614 5.3251  -9.607803      7.008548  
1 1 1 -13 40  5  o 281.385 5.2063  42961.05   1586.72  42963.95   2242.86  42958.16   2245.06  281.125 7.3660  281.105 7.3738  0.2005005E-01  10.42260  
1 1 1 -13 40  6  o 369.470 6.3998  74145.80   2561.04  75185.76   3621.48  73105.41   3622.23  371.514 9.0000  366.307 9.1298  5.207001       12.82000  
1 1 1 -13 40  7  o 152.369 3.3181  12583.20   547.589  12944.25   772.627  12218.80   776.202  154.480 4.6177  150.081 4.7751  4.399551       6.642636  
1 1 1 -13 40  8  o 99.907  2.8446  5408.79    307.811  5651.85    436.166  5167.62    434.462  102.097 3.9443  97.621  4.1090  4.476547       5.695730  
1 1 1 -13 40  9  o 103.606 2.9641  5817.33    332.625  6024.44    469.346  5608.35    471.466  105.400 4.1113  101.689 4.2806  3.710815       5.935231  
1 1 1 -13 40  10 o 154.826 4.8280  13008.01   809.622  12828.29   1146.56  13186.75   1143.40  153.591 6.8923  155.732 6.7787  -2.141586      9.667201  
1 1 1 -13 40  11 o 114.851 3.0677  7149.91    381.606  7082.61    541.555  7216.28    537.810  114.257 4.3761  115.333 4.3053  -1.076500      6.138919  
1 1 1 -13 40  12 o 264.801 4.7701  38060.95   1368.08  35645.87   1933.22  40483.77   1936.31  255.927 6.9742  272.820 6.5528  -16.89345      9.569702  
1 1 1 -13 40  13 o 145.730 3.2852  11515.38   518.538  11446.17   733.166  11584.64   733.481  145.200 4.6619  146.078 4.6359  -0.8777008     6.574585  
1 1 1 -13 40  14 o 209.779 4.0622  23884.06   922.994  23600.44   1305.60  24167.42   1305.02  208.297 5.7870  210.796 5.7159  -2.498520      8.133959  
1 1 1 -13 40  15 o 131.170 3.1730  9332.42    450.795  9481.88    639.652  9184.93    635.409  132.113 4.4702  130.024 4.5119  2.089020       6.351376  
1 1 1 -13 40  16 o 176.430 3.6433  16900.66   696.210  16991.20   992.226  16812.86   977.128  176.670 5.1854  175.749 5.1332  0.9205017      7.296408  
1 1 1 -13 40  17 o 140.330 3.2534  10691.55   494.485  10267.34   704.507  11103.47   694.221  137.323 4.7366  142.845 4.4871  -5.521301      6.524545  
1 1 1 -13 40  18 o 102.230 3.0093  5675.26    333.210  5437.48    480.200  5896.08    462.745  99.905  4.4378  104.078 4.1050  -4.172249      6.045229  
1 1 1 -13 40  19 o 191.385 3.8495  19945.32   797.954  20286.46   1135.27  19612.24   1121.81  192.487 5.4454  189.251 5.4728  3.236099       7.720346  
1 1 1 -13 40  20 o 135.663 3.2954  10014.56   484.213  10565.59   698.001  9503.38    672.284  139.022 4.6356  131.829 4.7084  7.192871       6.607358  
1 1 1 -13 40  21 o 36.496  5.3335  746.513    204.604  907.390    314.750  628.783    269.255  39.738  7.5896  32.947  7.6861  6.791351       10.80181  
1 1 1 -13 40  22 o 73.675  3.2474  2958.42    259.132  3049.84    509.332  2926.50    301.000  73.862  6.4308  73.091  3.8154  0.7712326      7.477430  
1 1 1 -13 40  23 o 90.990  3.1607  4515.02    311.494  5741.14    644.216  4140.88    355.859  101.581 5.8804  87.010  3.7761  14.57143       6.988446  
1 1 1 -13 40  24 o 28.246  1.3438  432.719    41.110   438.667    41.699   226.871    245.320  28.439  1.3538  21.753  7.9675  6.686291       8.081675  
1 1 1 -13 40  25 o 86.948  3.3724  4140.23    317.596  4077.34    623.856  4162.23    368.990  84.576  6.8697  87.010  3.9154  -2.434464      7.907142  
1 1 1 -13 40  26 o 90.841  2.9848  4514.55    293.678  4455.70    463.129  4554.13    379.804  89.415  4.7997  90.931  3.8564  -1.516266      6.156986  
1 1 1 -13 40  27 o 21.950  7.4768  268.604    212.867  16.343     436.246  347.437    243.871  21.990  9.6228  24.419  7.9967  -2.429003      12.51179  
1 1 1 -13 40  28 o 27.634  7.4074  473.131    226.227  -3.2536    445.297  638.861    262.647  21.412  9.5301  32.019  7.6737  -10.60668      12.23551  
1 1 1 -13 40  29 o 24.511  8.5234  376.366    277.126  619.458    451.972  229.918    350.807  29.763  10.828  22.344  9.1347  7.419186       14.16626  
1 1 1 -13 40  30 o 18.829  8.2616  49.094     323.448  55.127     451.753  42.749     463.314  21.263  9.5212  21.315  9.5859  -0.5212975E-01 13.51086  
1 1 1 -13 40  31 f 21.201  9.5789  68.949     468.869  0.0000     0.0000   68.949     468.869  ?       ?       21.201  9.5789  0.000000       9.578875  
1 1 1 -13 40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 41  1  o 362.466 6.2044  71340.62   2435.77  70949.41   2810.43  72521.46   4882.81  361.307 7.1817  364.007 12.385  -2.699158      14.31646  
1 1 1 -13 41  2  o 184.827 3.5810  18516.52   716.870  18084.25   824.313  19858.06   1452.16  182.628 4.1673  191.164 7.0136  -8.535858      8.158216  
1 1 1 -13 41  3  o 87.498  2.7996  4148.37    265.316  4341.97    300.789  3469.75    563.154  89.511  3.1025  79.653  6.5867  9.858177       7.280836  
1 1 1 -13 41  4  o 324.379 5.3104  57097.45   1865.76  55410.73   2510.71  59177.63   2788.21  319.275 7.2604  329.853 7.8043  -10.57825      10.65931  
1 1 1 -13 41  5  o 243.736 4.4432  32218.16   1172.97  32089.06   1657.73  32347.62   1659.94  243.073 6.2966  244.052 6.2797  -0.9792023     8.892818  
1 1 1 -13 41  6  o 120.415 2.8799  7857.27    375.609  7699.37    527.922  8019.14    534.523  119.162 4.0904  121.613 4.0580  -2.450569      5.761832  
1 1 1 -13 41  7  f 88.065  2.6256  4202.21    250.442  4250.96    335.088  4140.52    376.953  88.557  3.4935  87.387  3.9826  1.170029       5.297763  
1 1 1 -13 41  8  o 304.532 5.2721  50334.62   1738.95  48160.16   2458.28  52512.52   2460.22  297.523 7.6285  310.734 7.3100  -13.21179      10.56551  
1 1 1 -13 41  9  o 198.203 3.8414  21301.01   824.658  22098.84   1167.02  20505.32   1165.46  201.764 5.3403  194.336 5.5370  7.428040       7.692671  
1 1 1 -13 41  10 o 157.236 4.8240  13416.98   821.545  14022.42   1158.38  12804.26   1165.33  160.592 6.6598  153.424 7.0127  7.167221       9.671101  
1 1 1 -13 41  11 o 282.606 5.0725  43359.69   1552.64  43219.63   2193.60  43500.30   2197.92  281.795 7.1871  282.711 7.1779  -0.9153137     10.15762  
1 1 1 -13 41  12 o 155.002 3.4879  13027.87   585.554  12819.21   798.692  13270.35   861.011  153.668 4.7987  156.325 5.0852  -2.657272      6.991950  
1 1 1 -13 41  13 o 143.185 3.3246  11117.63   515.594  11170.66   729.406  11064.67   728.914  143.431 4.6952  142.747 4.7145  0.6836853      6.653700  
1 1 1 -13 41  14 o 57.817  2.2306  1811.59    139.687  1341.69    292.258  1950.72    159.028  49.359  5.5638  59.992  2.4474  -10.63317      6.078285  
1 1 1 -13 41  15 o 126.802 3.1179  8721.66    428.207  8762.53    613.064  8682.72    598.357  126.992 4.4572  126.420 4.3699  0.5715332      6.241998  
1 1 1 -13 41  16 o 95.314  2.9745  4928.93    307.069  5094.99    442.333  4774.46    426.615  96.817  4.2182  93.723  4.2026  3.093582       5.954421  
1 1 1 -13 41  17 o 78.478  3.0296  3343.16    257.515  3167.03    374.259  3501.52    354.875  76.136  4.5595  80.134  4.1025  -3.997528      6.133466  
1 1 1 -13 41  18 o 117.859 3.1373  7546.11    400.484  7483.91    584.759  7601.05    549.613  117.160 4.6082  118.126 4.2958  -0.9653397     6.299912  
1 1 1 -13 41  19 f 169.366 3.4718  15606.73   636.869  17395.14   919.142  13955.19   883.268  178.445 4.7556  159.724 5.1057  18.72057       6.977385  
1 1 1 -13 41  20 o 159.474 3.4862  13848.21   602.153  13631.87   862.391  14054.02   841.151  157.752 5.0473  160.247 4.8463  -2.495071      6.997283  
1 1 1 -13 41  21 o 21.028  7.0495  232.601    189.203  -21.4954   290.620  419.525    249.263  18.383  7.9510  27.114  7.9635  -8.730728      11.25326  
1 1 1 -13 41  22 o 130.933 3.2271  9344.07    457.646  9579.25    909.050  9264.24    529.661  131.344 6.3901  130.224 3.7552  1.119629       7.411821  
1 1 1 -13 41  23 o 115.886 3.0605  7322.54    384.144  7944.72    752.599  7103.33    446.719  119.657 5.8071  113.984 3.6184  5.672562       6.842138  
1 1 1 -13 41  24 o 81.409  3.3844  3624.87    298.418  3618.34    585.032  3627.17    346.948  79.880  6.8276  81.292  3.9404  -1.412628      7.883066  
1 1 1 -13 41  25 o 137.595 3.3558  10370.98   500.116  10005.58   989.830  10496.24   579.529  132.566 6.9177  138.163 3.8727  -5.596664      7.927987  
1 1 1 -13 41  26 o 63.102  3.9318  2203.13    267.391  1951.44    522.571  2292.41    311.219  57.074  8.7310  64.162  4.5069  -7.087715      9.825667  
1 1 1 -13 41  27 o 67.039  3.7603  2491.44    271.936  2989.89    542.578  2324.23    314.255  71.438  7.1066  64.406  4.5338  7.032127       8.429716  
1 1 1 -13 41  28 o 23.376  7.4790  331.391    214.069  16.311     443.034  427.359    244.506  21.474  9.5343  26.139  7.9380  -4.665493      12.40623  
1 1 1 -13 41  29 o 29.149  2.2657  468.683    70.971   452.075    72.393   878.934    359.804  28.603  2.3577  36.054  9.1874  -7.450230      9.485118  
1 1 1 -13 41  30 o 38.315  8.7216  991.370    353.814  901.392    491.958  1087.78    509.226  33.937  11.367  37.224  11.484  -3.287258      16.15872  
1 1 1 -13 41  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 42  1  o 41.874  2.6894  953.990    121.329  925.774    130.396  1135.99    331.174  41.229  2.9393  45.197  6.9908  -3.968246      7.583560  
1 1 1 -13 42  2  o 73.784  2.3415  2949.37    187.122  2959.84    204.081  2894.08    468.833  73.912  2.5493  72.764  6.0024  1.148018       6.521345  
1 1 1 -13 42  3  o 284.501 5.1139  43915.85   1575.82  44584.14   1817.59  41893.11   3162.15  286.574 5.8558  277.031 10.539  9.542633       12.05624  
1 1 1 -13 42  4  o 340.104 6.0491  62807.90   2228.31  63547.46   3150.66  62067.73   3151.95  341.657 8.5141  337.634 8.6191  4.023132       12.11526  
1 1 1 -13 42  5  o 36.830  3.2340  740.819    127.703  785.843    176.552  691.417    184.937  37.813  4.3927  35.355  4.9665  2.457466       6.630364  
1 1 1 -13 42  6  o 176.018 3.6327  16795.25   692.565  16347.39   977.277  17247.09   981.608  173.565 5.1986  178.285 5.0834  -4.720154      7.270906  
1 1 1 -13 42  7  o 158.338 3.3773  13589.32   579.187  13094.85   816.554  14089.98   821.658  155.357 4.8527  161.161 4.7072  -5.803711      6.760650  
1 1 1 -13 42  8  o 263.308 4.8471  37618.63   1382.33  38371.89   1954.16  36864.21   1955.66  265.685 6.7908  260.392 6.9342  5.292786       9.705564  
1 1 1 -13 42  9  o 213.454 4.2981  24714.29   993.698  25466.28   1324.99  23747.65   1502.24  216.550 5.6492  209.005 6.6361  7.544922       8.714965  
1 1 1 -13 42  10 o 199.042 4.4584  21495.18   961.167  20677.21   1177.23  23130.69   1664.65  195.116 5.5706  206.130 7.4561  -11.01431      9.307208  
1 1 1 -13 42  11 f 150.351 3.3093  12255.43   538.912  11934.94   756.413  12585.81   767.992  148.290 4.7095  152.283 4.6562  -3.993591      6.622708  
1 1 1 -13 42  12 o 150.370 3.4288  12261.28   558.436  11492.74   760.744  13159.32   822.343  145.488 4.8277  155.675 4.8771  -10.18758      6.862442  
1 1 1 -13 42  13 o 138.892 3.2157  10460.75   483.746  9801.74    682.829  11124.76   685.420  134.347 4.6926  143.150 4.4208  -8.802383      6.446979  
1 1 1 -13 42  14 o 128.612 3.1471  8970.96    438.385  8545.87    625.329  9381.79    614.747  125.423 4.6032  131.439 4.3182  -6.015755      6.311595  
1 1 1 -13 42  15 o 64.939  2.3501  2285.99    165.296  1826.60    313.101  2463.50    194.628  57.727  5.0587  67.403  2.6660  -9.676613      5.718246  
1 1 1 -13 42  16 o 188.526 3.9801  19315.20   812.702  18700.70   1092.18  20077.56   1216.51  185.222 5.4442  191.822 5.8553  -6.599762      7.995218  
1 1 1 -13 42  17 o 148.323 3.3471  11950.45   537.702  11603.48   769.690  12281.20   751.489  145.905 4.8705  150.154 4.6208  -4.248734      6.713679  
1 1 1 -13 42  18 o 54.857  3.6271  1644.02    214.293  1581.36    345.181  1683.32    273.347  53.373  6.0796  55.368  4.5998  -1.994797      7.623660  
1 1 1 -13 42  19 o 165.958 3.7183  14998.59   668.358  15291.02   1020.28  14778.79   884.577  166.967 5.6419  164.380 4.9684  2.586502       7.517680  
1 1 1 -13 42  20 o 117.267 3.2348  7483.34    410.862  7673.35    606.189  7321.87    558.793  118.422 4.7261  115.744 4.4574  2.678345       6.496530  
1 1 1 -13 42  21 o 13.855  6.2034  -79.5626   191.708  -10.9392   276.180  -143.3750  266.323  18.072  7.7838  15.817  7.1759  2.254702       10.58679  
1 1 1 -13 42  22 o 39.572  5.4041  878.793    225.565  1035.94    382.346  794.904    279.359  42.045  8.6835  37.120  7.2082  4.924572       11.28545  
1 1 1 -13 42  23 o 114.684 3.1480  7175.85    391.033  7794.23    790.762  6975.69    449.889  118.122 6.2025  112.921 3.6784  5.201294       7.211219  
1 1 1 -13 42  24 o 37.272  5.7090  790.299    223.126  173.434    430.649  1016.66    260.871  24.545  10.088  42.325  5.8467  -17.78033      11.65953  
1 1 1 -13 42  25 o 80.480  3.4832  3552.37    303.625  4065.86    595.701  3372.15    352.906  84.539  6.5571  78.088  4.1879  6.451363       7.780326  
1 1 1 -13 42  26 o 92.437  3.3443  4689.24    334.828  4611.93    657.028  4716.37    389.151  89.606  6.8210  92.491  3.8846  -2.884819      7.849648  
1 1 1 -13 42  27 o 18.758  7.3381  144.207    216.351  -88.4358   426.456  224.837    251.059  20.448  9.1965  21.346  8.0148  -0.8975582     12.19888  
1 1 1 -13 42  28 o 21.992  7.5452  284.295    216.811  407.528    440.248  244.837    249.114  26.605  10.450  21.378  7.9922  5.226681       13.15594  
1 1 1 -13 42  29 o 21.161  8.0787  240.898    257.625  278.564    449.631  222.489    314.339  24.286  10.173  21.627  8.7179  2.659004       13.39713  
1 1 1 -13 42  30 o 38.797  1.7850  822.681    75.007   834.094    75.893   342.832    492.087  39.064  1.7938  25.023  10.570  14.04051       10.72092  
1 1 1 -13 42  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 42  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 43  1  o 92.512  3.1281  4638.15    313.437  4714.92    374.720  4459.29    571.928  93.261  3.7097  90.441  5.8703  2.820457       6.944250  
1 1 1 -13 43  2  o 383.938 7.0220  80115.55   2920.07  78356.82   3463.63  84437.36   5429.55  379.402 8.4287  392.543 12.770  -13.14148      15.30124  
1 1 1 -13 43  3  o 41.578  1.4675  936.337    66.088   543.542    145.898  1037.74    74.129   31.351  4.4192  43.771  1.5636  -12.41975      4.687694  
1 1 1 -13 43  4  o 70.414  1.8822  2685.77    143.544  2291.93    248.004  2884.18    176.026  64.929  3.5399  72.964  2.2274  -8.035866      4.182386  
1 1 1 -13 43  5  o 59.496  2.1992  1917.69    141.721  1963.06    246.733  1895.36    173.130  60.053  3.8131  59.143  2.7027  0.9100189      4.673769  
1 1 1 -13 43  6  o 343.724 5.9002  64155.03   2196.57  61422.65   3105.04  66892.27   3107.80  335.831 8.5364  350.544 8.1854  -14.71317      11.82673  
1 1 1 -13 43  7  o 394.057 6.7304  84399.91   2872.56  85491.85   4061.79  83307.30   4063.03  395.892 9.4726  390.763 9.5999  5.128754       13.48662  
1 1 1 -13 43  8  o 311.562 5.3208  52695.40   1795.52  51123.31   2538.08  54270.40   2540.43  306.487 7.6458  315.824 7.4266  -9.336761      10.65895  
1 1 1 -13 43  9  o 319.768 6.0206  55556.65   2085.18  56609.79   2744.53  54118.73   3206.94  322.412 7.8593  314.860 9.4038  7.552277       12.25566  
1 1 1 -13 43  10 o 89.965  3.3719  4387.92    328.565  4799.79    399.486  3526.80    577.634  94.074  3.9207  80.249  6.7072  13.82474       7.769050  
1 1 1 -13 43  11 o 160.263 3.4234  13926.25   594.246  14033.62   837.930  13817.62   842.873  160.784 4.8117  159.536 4.8779  1.247467       6.851711  
1 1 1 -13 43  12 o 96.704  2.9920  5069.76    313.389  4894.48    434.964  5258.96    451.920  94.968  4.2287  98.440  4.2386  -3.471992      5.987250  
1 1 1 -13 43  13 o 218.598 4.1802  25938.53   989.725  25821.63   1401.02  26054.98   1398.35  217.847 5.9378  218.835 5.8997  -0.9887238     8.370382  
1 1 1 -13 43  14 o 149.059 3.3263  12053.58   537.021  12089.93   759.252  12017.19   759.674  149.154 4.6998  148.703 4.7167  0.4512024      6.658466  
1 1 1 -13 43  15 o 146.128 3.2993  11588.13   522.186  11479.41   743.930  11693.72   733.153  145.281 4.7277  146.645 4.6159  -1.364594      6.607435  
1 1 1 -13 43  16 o 142.050 3.2642  10954.86   502.216  11744.26   712.635  10175.97   707.872  146.918 4.4784  136.713 4.7805  10.20535       6.550507  
1 1 1 -13 43  17 o 129.113 3.1435  9053.74    439.598  9178.57    627.363  8933.32    616.160  129.810 4.4621  128.068 4.4421  1.742676       6.296201  
1 1 1 -13 43  18 o 91.059  3.0866  4505.66    304.419  4539.74    448.668  4476.59    414.398  91.224  4.5409  90.632  4.2215  0.5918732      6.200090  
1 1 1 -13 43  19 o 196.623 3.9039  21070.35   831.394  21349.32   1185.22  20800.11   1166.54  197.284 5.5468  194.737 5.5307  2.546936       7.832953  
1 1 1 -13 43  20 o 141.832 3.3005  10951.31   507.016  11766.93   735.291  10211.97   700.063  146.648 4.6293  136.584 4.7322  10.06413       6.619974  
1 1 1 -13 43  21 o 33.849  5.8015  649.234    205.043  530.643    320.426  731.468    266.826  30.340  9.0590  35.638  7.1611  -5.298090      11.54755  
1 1 1 -13 43  22 o 105.981 2.9539  6117.56    339.075  5763.24    698.276  6226.88    387.875  101.629 6.3760  106.836 3.3520  -5.207649      7.203389  
1 1 1 -13 43  23 o 35.721  2.4232  697.304    93.197   629.428    99.755   1163.25    261.363  33.884  2.7416  45.536  5.4049  -11.65148      6.060437  
1 1 1 -13 43  24 o 121.182 3.3395  8033.83    438.319  7915.30    850.806  8076.65    511.408  118.352 6.6643  121.285 3.8931  -2.932945      7.718097  
1 1 1 -13 43  25 o 145.235 3.3612  11561.46   528.733  11858.43   1058.03  11462.60   610.420  144.479 6.7612  144.311 3.9053  0.1675873      7.808067  
1 1 1 -13 43  26 o 72.267  2.7412  2854.76    214.564  3072.66    284.326  2566.52    327.012  74.753  3.5117  67.865  4.4740  6.888245       5.687554  
1 1 1 -13 43  27 o 24.937  7.5558  375.267    221.708  7.6075     435.725  503.710    257.539  21.633  9.5373  28.555  8.0047  -6.922207      12.45133  
1 1 1 -13 43  28 o 14.278  2.0303  113.589    30.514   113.526    30.741   117.804    251.541  14.271  2.0475  18.675  7.6965  -4.404548      7.964157  
1 1 1 -13 43  29 o 51.214  7.0920  1620.06    382.831  1243.58    515.642  2082.46    571.461  40.846  11.282  55.153  9.9316  -14.30682      15.03087  
1 1 1 -13 43  30 o 30.552  9.4167  664.549    342.476  695.876    475.731  630.849    493.421  30.131  11.086  29.006  11.155  1.125315       15.72710  
1 1 1 -13 43  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 44  1  o 235.575 5.3418  30117.33   1362.98  29766.14   1529.24  31474.04   3005.74  234.130 6.0304  239.890 11.568  -5.760178      13.04574  
1 1 1 -13 44  2  o 258.485 4.6906  36242.58   1313.20  35303.75   1513.65  39099.68   2640.56  255.040 5.4796  267.878 9.1010  -12.83842      10.62329  
1 1 1 -13 44  3  o 285.980 4.7987  44366.76   1486.39  43722.95   1996.45  45167.48   2226.46  283.696 6.4973  288.251 7.1314  -4.555817      9.647382  
1 1 1 -13 44  4  o 308.421 5.5296  51633.31   1847.17  52387.68   2611.58  50878.13   2612.99  310.317 7.7701  305.792 7.8894  4.525085       11.07326  
1 1 1 -13 44  5  o 316.198 5.9537  54294.02   2039.01  54966.08   2683.57  53376.11   3136.25  317.838 7.7954  312.907 9.2539  4.931091       12.09972  
1 1 1 -13 44  6  o 211.440 4.1532  24244.44   951.137  25256.93   1343.66  23227.55   1346.57  215.673 5.7520  206.802 6.0118  8.871246       8.320322  
1 1 1 -13 44  7  o 226.276 4.3814  27772.44   1073.81  29107.46   1518.39  26436.70   1518.80  231.482 6.0561  220.572 6.3574  10.90971       8.780271  
1 1 1 -13 44  8  o 40.323  3.5553  888.346    153.683  1050.22    223.569  743.330    211.605  43.732  4.7989  36.595  5.5095  7.136803       7.306441  
1 1 1 -13 44  9  o 318.284 5.9622  55044.48   2055.38  56992.09   2705.46  52386.03   3160.87  323.503 7.7213  309.735 9.4221  13.76816       12.18174  
1 1 1 -13 44  10 o 191.088 4.3921  19812.34   909.032  19884.94   1110.98  19665.28   1581.19  191.348 5.3606  190.004 7.6834  1.344193       9.368584  
1 1 1 -13 44  11 o 122.606 3.0846  8149.26    409.621  8225.84    571.882  8068.57    586.997  123.120 4.2885  121.928 4.4449  1.191856       6.176430  
1 1 1 -13 44  12 o 99.766  2.9439  5395.93    318.104  5538.89    446.516  5248.59    453.296  101.029 4.0806  98.337  4.2559  2.691948       5.896088  
1 1 1 -13 44  13 o 119.352 3.0462  7724.55    393.784  7056.09    554.287  8405.75    559.539  113.983 4.4898  124.433 4.1517  -10.45021      6.115105  
1 1 1 -13 44  14 o 57.237  3.4233  1784.02    211.248  1820.56    306.621  1751.01    291.455  57.651  4.9588  56.551  4.8039  1.099842       6.904124  
1 1 1 -13 44  15 o 85.092  2.9980  3928.47    276.303  4030.62    392.275  3827.89    389.246  86.114  4.2058  83.804  4.3028  2.309654       6.016881  
1 1 1 -13 44  16 o 149.442 3.3322  12128.13   539.361  11321.18   763.651  12931.37   761.894  144.154 4.8910  154.124 4.5641  -9.970123      6.689772  
1 1 1 -13 44  17 o 132.004 3.1895  9466.18    456.020  9247.55    658.176  9668.03    632.414  130.239 4.6659  133.219 4.3829  -2.980270      6.401578  
1 1 1 -13 44  18 o 98.063  3.1752  5227.23    337.247  5626.29    497.625  4888.25    458.636  101.542 4.5247  94.656  4.4735  6.886063       6.362762  
1 1 1 -13 44  19 o 84.145  3.1209  3850.54    284.435  4497.83    424.127  3321.48    383.445  90.770  4.3140  77.834  4.5685  12.93559       6.283440  
1 1 1 -13 44  20 o 46.484  4.1241  1189.14    205.479  1107.18    321.441  1245.78    267.202  44.191  6.9449  47.348  5.3014  -3.156738      8.737020  
1 1 1 -13 44  21 o 68.110  3.4024  2529.39    250.995  2668.14    387.844  2429.41    329.235  69.458  5.1930  66.411  4.6056  3.046738       6.941110  
1 1 1 -13 44  22 o 54.049  4.5498  1614.96    263.871  1825.82    425.843  1483.53    336.192  56.719  7.0865  51.346  6.1686  5.372665       9.395267  
1 1 1 -13 44  23 o 31.756  6.4337  582.906    213.708  1308.47    409.582  311.481    250.511  47.281  8.3008  23.987  8.1113  23.29478       11.60589  
1 1 1 -13 44  24 o 16.836  6.9576  57.598     206.327  -331.9841  394.740  204.045    242.020  17.683  8.2719  21.079  7.8781  -3.396370      11.42316  
1 1 1 -13 44  25 f 62.875  2.7444  2158.45    186.891  2053.22    229.596  2365.12    321.747  61.076  3.4852  65.193  4.5858  -4.117550      5.759896  
1 1 1 -13 44  26 o 24.103  7.5360  339.719    218.454  319.457    424.399  347.023    254.803  26.168  10.266  24.574  8.1801  1.593475       13.12654  
1 1 1 -13 44  27 o 29.106  7.1686  517.570    224.500  607.267    439.035  485.812    261.237  30.736  10.726  27.958  8.1358  2.778172       13.46241  
1 1 1 -13 44  28 o 46.955  4.9269  1271.77    246.832  1291.58    487.122  1264.93    286.310  42.969  10.545  46.272  5.8431  -3.302834      12.05597  
1 1 1 -13 44  29 o 26.749  9.5253  474.678    347.600  418.044    459.972  550.084    530.752  26.255  10.559  28.518  11.387  -2.262634      15.52937  
1 1 1 -13 44  30 o 25.387  9.3366  433.005    337.362  845.725    470.524  -3.6270    483.962  32.776  11.116  20.966  9.5737  11.81065       14.67070  
1 1 1 -13 44  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 45  1  o 143.318 3.6027  11134.54   559.248  10735.66   678.332  11981.05   988.177  140.691 4.4515  148.527 6.1427  -7.835403      7.586084  
1 1 1 -13 45  2  o 85.931  2.6318  4001.00    244.943  3633.93    276.045  5360.15    531.179  81.886  3.1124  99.395  4.9341  -17.50964      5.833720  
1 1 1 -13 45  3  o 188.301 3.9403  19224.88   803.624  19365.57   1204.35  19111.95   1078.95  188.850 5.8880  187.656 5.3085  1.193939       7.927697  
1 1 1 -13 45  4  o 146.132 3.3206  11574.57   525.572  11237.36   740.670  11916.56   745.899  143.923 4.7514  148.214 4.6465  -4.291367      6.645730  
1 1 1 -13 45  5  o 237.043 4.3868  30476.43   1126.28  29767.67   1590.93  31188.51   1594.66  234.082 6.2750  239.619 6.1444  -5.536865      8.782304  
1 1 1 -13 45  6  o 231.523 4.6070  29079.88   1155.26  28923.13   1533.66  29285.49   1756.49  230.741 6.1367  232.074 6.9879  -1.333511      9.300018  
1 1 1 -13 45  7  o 127.442 3.0218  8802.62    417.115  9687.97    590.020  7918.05    589.760  133.654 4.0758  120.811 4.5071  12.84348       6.076696  
1 1 1 -13 45  8  o 135.074 3.1074  9889.29    454.612  10016.45   642.420  9761.74    643.417  135.880 4.3651  134.138 4.4286  1.742218       6.218252  
1 1 1 -13 45  9  o 228.898 5.3422  28451.84   1324.44  29145.99   2113.14  28002.72   1699.72  231.201 8.4385  226.874 6.9171  4.327042       10.91124  
1 1 1 -13 45  10 o 225.426 4.9016  27589.13   1196.79  28194.67   1463.79  26368.19   2078.52  227.754 5.9339  219.786 8.7314  7.968933       10.55694  
1 1 1 -13 45  11 o 99.418  2.8193  5357.62    303.581  5779.84    442.353  4981.71    417.390  103.215 3.9569  95.821  4.0217  7.393944       5.641905  
1 1 1 -13 45  12 o 31.893  4.8949  565.291    163.685  679.429    225.878  439.071    237.533  34.815  6.2182  27.926  7.6345  6.889488       9.846383  
1 1 1 -13 45  13 o 42.380  4.0980  984.212    185.759  881.451    268.803  1078.15    256.999  39.715  6.4719  44.183  5.4886  -4.468163      8.485914  
1 1 1 -13 45  14 o 137.538 3.1824  10263.22   474.068  10137.56   669.352  10389.69   671.519  136.565 4.5253  138.257 4.4844  -1.692413      6.370850  
1 1 1 -13 45  15 o 196.222 3.8890  20920.85   826.517  21148.29   1169.24  20693.69   1168.51  196.963 5.4808  194.821 5.5376  2.141785       7.791345  
1 1 1 -13 45  16 o 212.979 4.1086  24676.45   947.768  24956.82   1343.89  24399.01   1336.83  213.703 5.8061  211.290 5.8416  2.413391       8.236148  
1 1 1 -13 45  17 o 78.835  3.1242  3376.56    266.769  3198.40    394.816  3526.23    361.871  76.415  4.7946  80.357  4.1721  -3.941681      6.355698  
1 1 1 -13 45  18 o 14.604  5.9143  49.866     145.391  107.986    255.788  22.126     176.714  19.674  7.8876  15.204  6.3733  4.470215       10.14071  
1 1 1 -13 45  19 o 100.399 3.0758  5481.81    334.471  5583.04    491.269  5394.34    456.654  101.084 4.4871  99.408  4.2413  1.676056       6.174345  
1 1 1 -13 45  20 o 53.719  2.4614  1567.70    143.213  1480.01    164.857  1837.41    289.134  52.079  2.9346  57.740  4.6631  -5.661442      5.509647  
1 1 1 -13 45  21 o 163.033 3.5340  14502.37   624.041  14935.75   898.886  14099.16   867.030  164.819 5.0353  160.154 4.9983  4.664871       7.094919  
1 1 1 -13 45  22 o 129.765 3.6942  9206.77    519.223  9206.32    896.569  9206.99    636.895  128.358 6.4698  129.452 4.5424  -1.093903      7.905175  
1 1 1 -13 45  23 o 51.874  2.6091  1469.16    146.126  1320.30    170.248  1885.66    284.776  49.062  3.2217  58.342  4.5425  -9.280109      5.568993  
1 1 1 -13 45  24 o 44.568  4.8484  1112.21    230.266  1063.22    444.720  1130.16    269.155  41.591  9.9962  44.660  5.6939  -3.069313      11.50413  
1 1 1 -13 45  25 o 35.828  6.0048  739.840    224.773  1329.92    436.638  527.091    262.180  46.937  8.9149  29.651  7.9855  17.28619       11.96839  
1 1 1 -13 45  26 o 33.977  6.4116  678.144    227.299  451.194    441.124  760.182    265.218  28.527  10.641  35.739  7.1018  -7.211788      12.79330  
1 1 1 -13 45  27 o ?       ?       -207.2585  27.524   -211.1552  27.693   109.057    249.502  ?       ?       18.683  7.6784  0.000000       7.678412  
1 1 1 -13 45  28 o 5.9856  2.5348  1.4356     28.416   223.857    432.662  0.4720     28.477   23.540  9.9254  5.9416  2.5277  17.59823       10.24224  
1 1 1 -13 45  29 o 3.3100  1.6747  -102.0136  29.560   -103.9795  29.603   560.906    543.611  3.2892  1.6655  28.573  11.483  -25.28433      11.60360  
1 1 1 -13 45  30 o 17.916  8.1354  -44.4934   343.335  173.659    468.393  -297.8170  504.740  22.517  9.9092  18.880  8.9873  3.636747       13.37776  
1 1 1 -13 45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 46  1  o 224.007 4.4462  27216.95   1078.74  26680.20   1316.86  28311.90   1880.85  221.697 5.4841  228.127 7.6122  -6.429077      9.381937  
1 1 1 -13 46  2  o 421.915 6.3447  96708.69   2899.38  92870.62   3742.12  102473.20  4586.10  412.975 8.3661  433.368 9.7705  -20.39282      12.86290  
1 1 1 -13 46  3  o 118.961 2.9189  7669.10    376.092  7047.33    529.518  8302.07    534.262  113.992 4.2888  123.737 3.9864  -9.744720      5.855382  
1 1 1 -13 46  4  o 133.359 3.2494  9639.52    469.347  9855.29    678.884  9441.96    649.599  134.783 4.6504  131.931 4.5460  2.851471       6.503244  
1 1 1 -13 46  5  o 77.137  2.7609  3224.37    230.668  3229.46    321.730  3218.99    330.890  77.175  3.8490  76.944  3.9841  0.2313232      5.539648  
1 1 1 -13 46  6  o 219.263 4.3741  26078.88   1038.79  27376.07   1382.66  24397.84   1573.99  224.523 5.6857  211.824 6.8605  12.69876       8.910348  
1 1 1 -13 46  7  o 169.560 3.5147  15587.46   645.481  16576.57   912.540  14597.01   913.156  174.771 4.8207  163.980 5.1414  10.79088       7.047944  
1 1 1 -13 46  8  f 127.391 3.0654  8796.30    422.957  9251.68    590.779  8317.47    605.808  130.597 4.1766  123.811 4.5176  6.786339       6.152426  
1 1 1 -13 46  9  o 67.021  2.7162  2434.31    197.170  2381.24    451.354  2446.83    219.190  65.868  6.4078  67.187  3.0121  -1.319191      7.080422  
1 1 1 -13 46  10 o 107.414 3.3689  6256.15    391.936  6022.84    491.637  6662.98    649.218  105.350 4.3086  110.742 5.4126  -5.391678      6.918159  
1 1 1 -13 46  11 o 121.946 3.0598  8062.51    404.138  8201.19    569.903  7922.24    573.185  122.923 4.2805  120.808 4.3806  2.114983       6.124724  
1 1 1 -13 46  12 o 72.857  3.0650  2878.38    241.863  2903.69    330.567  2849.22    354.810  73.015  4.1977  72.288  4.5550  0.7269897      6.194241  
1 1 1 -13 46  13 o 197.097 3.8436  21088.32   820.508  19852.27   1152.39  22359.22   1168.53  190.981 5.5711  202.726 5.3218  -11.74475      7.704433  
1 1 1 -13 46  14 o 214.817 4.0281  25070.32   937.221  22659.03   1318.16  27535.58   1332.83  203.838 5.9705  224.829 5.4733  -20.99123      8.099652  
1 1 1 -13 46  15 o 124.936 3.1157  8472.42    421.617  7908.96    592.074  9052.07    600.528  120.557 4.5343  129.007 4.2978  -8.449860      6.247523  
1 1 1 -13 46  16 o 68.512  3.1853  2549.45    236.366  2853.97    330.006  2228.65    338.708  72.286  4.2335  63.739  4.9450  8.547413       6.509604  
1 1 1 -13 46  17 o 22.984  6.7369  295.784    178.548  187.200    265.081  385.957    241.565  21.621  8.2090  26.261  7.8712  -4.640352      11.37288  
1 1 1 -13 46  18 o 35.734  4.9755  711.459    187.349  714.141    282.582  709.356    250.256  35.254  7.6227  35.297  6.7925  -0.4360580E-01 10.20997  
1 1 1 -13 46  19 o 55.947  2.4867  1699.92    150.686  1609.36    175.859  1950.07    292.281  54.319  3.0007  59.552  4.5662  -5.232655      5.463957  
1 1 1 -13 46  20 o 151.649 3.4033  12533.18   558.996  12335.09   805.909  12716.85   776.018  149.916 4.9633  152.321 4.7037  -2.405273      6.838055  
1 1 1 -13 46  21 o 55.310  3.7866  1679.08    225.481  1699.25    351.250  1664.95    294.071  55.106  5.9811  54.804  5.0095  0.3011551      7.801853  
1 1 1 -13 46  22 o 126.199 3.2261  8690.23    440.970  9485.20    648.381  8006.05    601.504  131.355 4.5574  120.661 4.6026  10.69369       6.477141  
1 1 1 -13 46  23 o 42.454  4.9940  1009.65    225.247  1240.84    427.783  920.965    264.951  45.657  8.9706  40.127  6.3041  5.529968       10.96418  
1 1 1 -13 46  24 o 49.631  4.4738  1370.97    237.905  1738.20    459.444  1236.43    278.091  54.457  8.0306  46.752  5.6035  7.705006       9.792335  
1 1 1 -13 46  25 f 29.672  6.9699  521.338    220.190  239.521    422.863  626.177    257.915  25.099  10.114  32.403  7.4976  -7.303782      12.58970  
1 1 1 -13 46  26 o 13.898  2.7696  109.386    40.225   100.812    40.742   440.957    253.362  13.311  2.9073  26.999  8.0540  -13.68769      8.562675  
1 1 1 -13 46  27 o 37.199  6.0980  819.958    237.177  1220.57    473.095  685.472    274.111  42.514  10.367  33.104  7.7770  9.409264       12.96013  
1 1 1 -13 46  28 o 12.114  5.9207  -421.2971  257.176  -430.9514  427.058  -415.8039  322.137  16.845  8.0855  14.204  6.8685  2.641763       10.60904  
1 1 1 -13 46  29 o 42.382  8.8454  1201.32    392.921  1156.95    523.656  1258.49    594.388  38.657  11.590  39.277  12.451  -0.6202965     17.01042  
1 1 1 -13 46  30 o 17.941  8.2466  -86.8904   367.136  -250.1884  484.943  132.382    561.943  18.831  8.9191  23.136  10.467  -4.304752      13.75150  
1 1 1 -13 46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 47  1  o 227.537 4.7865  28090.37   1179.62  28551.70   1440.88  27152.75   2054.16  229.297 5.8018  223.258 8.4949  6.038559       10.28705  
1 1 1 -13 47  2  o 182.419 3.2573  18036.71   643.572  17521.49   829.792  18814.48   1019.52  179.739 4.2624  186.197 5.0554  -6.457565      6.612517  
1 1 1 -13 47  3  o 57.078  2.8279  1765.52    174.827  1788.21    245.307  1742.10    249.224  57.288  3.9781  56.530  4.0982  0.7578392      5.711480  
1 1 1 -13 47  4  o 156.149 3.4690  13217.72   586.693  12786.90   798.140  13724.16   865.346  153.512 4.8003  159.023 5.0241  -5.511856      6.948697  
1 1 1 -13 47  5  o 164.971 3.4800  14754.17   621.814  14085.17   877.028  15430.39   881.748  161.096 5.0264  168.628 4.8278  -7.531754      6.969365  
1 1 1 -13 47  6  o 233.714 4.5147  29635.04   1142.84  28784.76   1734.98  30286.75   1518.93  230.046 6.9632  236.111 5.9395  -6.065536      9.152289  
1 1 1 -13 47  7  o 327.969 6.1279  58454.45   2176.76  60558.02   3349.77  56916.91   2863.85  333.068 9.2856  323.187 8.1814  9.880707       12.37570  
1 1 1 -13 47  8  o 262.821 5.0637  37501.27   1441.44  38268.70   1906.91  36478.20   2201.73  265.259 6.6373  258.757 7.8560  6.501831       10.28448  
1 1 1 -13 47  9  o 117.607 3.4066  7499.69    433.936  7529.75    759.659  7485.13    528.679  117.540 5.9869  117.457 4.1557  0.8273315E-01  7.287845  
1 1 1 -13 47  10 o 106.674 3.2944  6170.33    380.639  6068.38    476.353  6350.40    633.091  105.750 4.1589  107.968 5.4311  -2.218224      6.840571  
1 1 1 -13 47  11 o 184.116 3.7905  18392.14   755.886  18189.07   1012.42  18647.91   1136.23  182.957 5.1091  185.179 5.6651  -2.221436      7.628597  
1 1 1 -13 47  12 o 150.270 3.3338  12249.07   542.600  11551.83   752.807  13002.93   782.774  145.804 4.7670  154.701 4.6717  -8.897202      6.674489  
1 1 1 -13 47  13 o 77.806  2.7093  3282.64    228.315  3355.29    352.486  3230.12    299.677  78.484  4.1615  77.143  3.5866  1.340477       5.493780  
1 1 1 -13 47  14 o 97.736  3.0537  5183.23    323.254  4633.56    436.163  5853.10    481.493  92.314  4.3623  103.761 4.2844  -11.44687      6.114327  
1 1 1 -13 47  15 o 150.788 3.3195  12347.77   542.134  11042.61   759.376  13704.49   774.227  142.359 4.9250  158.671 4.5051  -16.31194      6.674644  
1 1 1 -13 47  16 o 150.083 3.4329  12242.54   558.035  12423.55   803.673  12074.01   775.445  150.904 4.9171  148.789 4.8118  2.114822       6.879802  
1 1 1 -13 47  17 f 25.611  6.9560  373.315    197.947  379.672    264.927  365.280    297.833  26.295  8.3103  26.337  8.8446  -0.4215622E-01 12.13625  
1 1 1 -13 47  18 o 96.412  3.1608  5054.94    330.065  4964.54    471.082  5142.12    462.599  95.331  4.5624  97.050  4.4009  -1.719154      6.338989  
1 1 1 -13 47  19 o 23.740  6.7970  319.632    183.674  258.899    272.588  370.138    248.578  23.304  8.4194  25.778  8.0355  -2.473896      11.63850  
1 1 1 -13 47  20 o 55.324  3.8165  1678.91    227.296  1849.07    361.520  1567.68    292.294  57.593  5.8779  53.173  5.1394  4.420773       7.807850  
1 1 1 -13 47  21 o 58.096  3.6664  1850.65    229.522  1774.43    355.735  1905.01    300.418  56.324  5.9199  58.699  4.7664  -2.375607      7.600219  
1 1 1 -13 47  22 o 43.040  2.0647  1006.43    96.249   1017.41    103.322  934.377    264.692  43.208  2.2152  40.523  6.2303  2.685524       6.612398  
1 1 1 -13 47  23 o 83.964  2.8657  3845.45    260.612  4040.62    392.828  3692.02    348.298  85.706  4.2318  82.015  3.9209  3.690376       5.768989  
1 1 1 -13 47  24 o 91.699  2.9947  4595.70    297.433  4615.59    471.622  4582.57    383.261  91.133  4.7949  91.288  3.8763  -0.1543655     6.165734  
1 1 1 -13 47  25 o 67.071  3.8945  2487.47    281.697  2696.50    551.716  2413.76    327.619  67.941  7.6294  65.788  4.6272  2.152061       8.922942  
1 1 1 -13 47  26 o 61.890  4.0255  2133.33    268.374  1797.42    540.289  2243.35    309.220  53.427  9.6938  63.236  4.5451  -9.808842      10.70642  
1 1 1 -13 47  27 o 64.722  3.9949  2351.40    278.674  2100.22    562.010  2433.29    320.902  56.865  9.4571  65.503  4.5514  -8.638226      10.49532  
1 1 1 -13 47  28 o ?       ?       -187.1784  32.546   -188.6882  32.707   -34.5040   328.900  ?       ?       18.133  8.1215  0.000000       8.121501  
1 1 1 -13 47  29 f 36.844  9.6232  953.538    388.213  953.418    517.771  953.691    586.700  34.795  11.662  34.109  12.348  0.6856804      16.98409  
1 1 1 -13 47  30 o 39.724  9.4409  1124.34    400.213  1004.05    535.088  1277.06    602.942  34.488  11.852  38.046  12.579  -3.557442      17.28336  
1 1 1 -13 47  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 48  1  o 304.624 6.0033  50407.92   1980.71  49232.04   2422.38  52780.11   3440.60  300.804 7.4351  310.807 10.221  -10.00336      12.63884  
1 1 1 -13 48  2  o 203.436 3.6488  22438.29   803.997  21825.99   1135.40  23054.11   1138.65  200.521 5.2278  206.097 5.1009  -5.575821      7.304052  
1 1 1 -13 48  3  o 139.024 3.1639  10475.95   476.412  10249.62   671.597  10705.21   675.920  137.452 4.5111  140.478 4.4424  -3.025375      6.331295  
1 1 1 -13 48  4  o 236.458 4.3810  30330.78   1122.00  30430.05   1585.62  30231.23   1587.88  236.645 6.1863  235.867 6.2155  0.7781372      8.769457  
1 1 1 -13 48  5  o 329.414 5.7373  58940.25   2047.02  58864.32   2893.94  59016.28   2895.90  328.713 8.1284  329.138 8.1233  -0.4252319     11.49169  
1 1 1 -13 48  6  o 190.234 3.7839  19624.25   779.642  20552.84   1101.06  18690.50   1104.11  194.567 5.2248  185.518 5.4949  9.049118       7.582362  
1 1 1 -13 48  7  o 199.909 3.8655  21673.53   836.977  22851.02   1183.27  20494.45   1184.06  205.135 5.3256  194.239 5.6282  10.89622       7.748482  
1 1 1 -13 48  8  o 162.294 3.5395  14282.59   622.182  14642.82   844.424  13854.74   920.256  164.242 4.7469  159.714 5.3198  4.528580       7.129722  
1 1 1 -13 48  9  o 116.999 3.5747  7423.78    452.995  8175.09    774.121  7032.54    558.626  122.631 5.8283  113.825 4.5312  8.806236       7.382453  
1 1 1 -13 48  10 o 154.584 3.4198  12959.64   572.573  12912.80   775.999  13015.61   848.305  154.210 4.6460  154.785 5.0600  -0.5743866     6.869445  
1 1 1 -13 48  11 o 251.739 4.5559  34418.65   1242.20  32551.46   1750.74  36311.65   1762.80  244.426 6.6131  258.229 6.3027  -13.80334      9.135468  
1 1 1 -13 48  12 o 256.530 4.6372  35761.17   1288.44  34591.14   1815.89  36947.44   1828.45  251.839 6.6573  260.322 6.4849  -8.483124      9.293694  
1 1 1 -13 48  13 o 56.161  2.3237  1709.83    141.346  1623.27    276.266  1740.52    164.509  54.429  4.7334  56.653  2.6810  -2.223450      5.439898  
1 1 1 -13 48  14 o 173.230 3.5554  16297.36   667.076  14947.51   931.239  17720.02   956.023  165.635 5.1909  180.404 4.8927  -14.76883      7.133300  
1 1 1 -13 48  15 o 52.334  3.6452  1495.75    205.332  1379.60    275.169  1641.67    308.438  50.033  5.1514  54.602  5.2814  -4.568928      7.377709  
1 1 1 -13 48  16 o 312.793 5.4870  53506.25   1858.91  53561.86   2630.98  53450.81   2626.82  311.410 7.8003  311.091 7.7960  0.3196106      11.02830  
1 1 1 -13 48  17 o 99.369  3.0182  5365.88    324.844  5119.52    482.819  5569.62    439.085  96.839  4.6032  101.104 4.0097  -4.264862      6.104693  
1 1 1 -13 48  18 o 138.421 3.4158  10428.45   512.107  10379.04   744.134  10472.90   705.840  137.702 4.9893  138.404 4.7086  -0.7015991     6.860301  
1 1 1 -13 48  19 o 113.424 3.0905  7000.38    379.672  6569.90    553.173  7383.80    522.053  109.548 4.6621  116.267 4.1456  -6.718819      6.238725  
1 1 1 -13 48  20 o 112.043 3.1205  6836.65    378.681  7406.56    541.385  6290.71    529.873  116.329 4.2968  107.135 4.5663  9.193420       6.270102  
1 1 1 -13 48  21 o 31.929  5.7353  580.224    191.052  659.839    304.162  528.342    245.533  33.496  8.3992  30.098  7.5460  3.398006       11.29107  
1 1 1 -13 48  22 o 16.762  6.7459  79.164     187.877  48.856     288.834  101.394    247.359  19.301  8.1223  19.068  7.7170  0.2325954      11.20372  
1 1 1 -13 48  23 o 51.142  4.9347  1460.04    269.951  1468.30    477.844  1456.16    327.160  49.553  9.2431  50.690  6.0803  -1.136173      11.06369  
1 1 1 -13 48  24 o 33.742  6.3536  661.011    223.677  768.809    447.867  625.188    258.181  35.216  10.754  32.445  7.4975  2.771149       13.10981  
1 1 1 -13 48  25 o 46.022  4.9026  1192.96    240.614  771.012    483.343  1331.98    277.433  34.876  11.247  48.475  5.3746  -13.59932      12.46477  
1 1 1 -13 48  26 o 13.245  6.1568  -161.7603  213.219  76.607     435.334  -236.9876  244.561  22.471  9.7252  13.538  6.3883  8.933230       11.63572  
1 1 1 -13 48  27 o 66.049  2.7841  2402.06    199.169  2336.81    251.472  2511.88    326.236  64.696  3.6030  66.495  4.5572  -1.798866      5.809490  
1 1 1 -13 48  28 o 30.849  8.3470  624.253    285.666  463.056    485.672  709.522    353.231  27.325  10.898  32.185  9.4876  -4.860294      14.44953  
1 1 1 -13 48  29 o 22.135  9.2310  223.877    367.962  216.408    488.100  233.711    560.039  23.546  10.244  24.516  10.810  -0.9699802     14.89296  
1 1 1 -13 48  30 o 32.178  12.276  906.654    594.547  0.0000     0.0000   906.654    594.547  ?       ?       32.178  12.276  0.000000       12.27568  
1 1 1 -13 48  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 49  1  o 231.057 4.6033  28966.48   1152.03  28968.99   1247.28  28951.92   3005.63  231.029 4.9846  229.408 12.140  1.621628       13.12314  
1 1 1 -13 49  2  f 336.422 6.4496  61519.64   2350.12  59733.19   3089.33  63973.48   3620.69  331.022 8.6166  342.249 9.7674  -11.22760      13.02491  
1 1 1 -13 49  3  o 273.740 4.9062  40667.93   1454.63  39450.79   2056.07  41887.64   2058.24  269.304 7.0490  277.531 6.8472  -8.227478      9.827112  
1 1 1 -13 49  4  o 153.894 3.2710  12838.20   545.219  13169.36   769.528  12504.39   772.593  155.795 4.5604  151.802 4.6990  3.993118       6.548101  
1 1 1 -13 49  5  o 54.823  1.7240  1628.11    102.369  1111.30    218.409  1773.61    115.886  45.030  4.5402  57.219  1.8699  -12.18916      4.910150  
1 1 1 -13 49  6  f 164.893 3.4046  14741.01   608.043  15197.03   857.799  14280.48   862.023  167.337 4.7328  162.199 4.9068  5.137711       6.817377  
1 1 1 -13 49  7  o 130.863 3.0536  9282.97    432.818  9202.53    610.188  9364.43    614.025  130.232 4.3259  131.373 4.3153  -1.141235      6.110237  
1 1 1 -13 49  8  o 116.931 2.9383  7411.57    372.127  7605.20    526.982  7218.98    525.556  118.395 4.1095  115.344 4.2068  3.050522       5.880948  
1 1 1 -13 49  9  o 137.684 3.6991  10282.86   551.632  10761.22   955.232  10043.51   675.687  140.637 6.2710  136.013 4.5866  4.623627       7.769380  
1 1 1 -13 49  10 o 222.362 4.3123  26842.74   1038.57  26624.94   1377.68  27129.46   1580.69  221.248 5.7491  223.192 6.5388  -1.944168      8.706774  
1 1 1 -13 49  11 o 32.308  5.2622  582.143    177.800  592.224    235.757  568.847    270.755  32.343  6.9379  31.648  7.9183  0.6954365      10.52779  
1 1 1 -13 49  12 o 204.198 3.9304  22641.81   869.272  21736.91   1225.13  23559.25   1233.59  199.787 5.6617  208.031 5.4748  -8.243698      7.875805  
1 1 1 -13 49  13 o 146.165 3.3117  11596.01   524.286  10839.67   730.417  12399.86   753.005  141.147 4.7778  150.988 4.6045  -9.841660      6.635444  
1 1 1 -13 49  14 o 160.973 3.4395  14073.39   599.685  12984.74   834.675  15234.92   862.159  154.377 4.9919  167.265 4.7590  -12.88812      6.896864  
1 1 1 -13 49  15 o 75.057  3.0980  3059.41    251.852  2548.62    342.564  3660.27    371.543  68.230  4.6635  81.896  4.2028  -13.66644      6.277851  
1 1 1 -13 49  16 o 146.721 3.3883  11704.04   538.452  11081.95   774.881  12284.89   748.763  142.433 5.0229  150.067 4.6067  -7.634033      6.815519  
1 1 1 -13 49  17 o 56.454  2.3938  1729.87    146.370  1543.27    324.536  1777.52    163.996  52.732  5.7767  57.212  2.6465  -4.479519      6.354132  
1 1 1 -13 49  18 o 161.290 3.5169  14166.40   614.382  13396.71   867.761  14940.02   869.978  156.363 5.1239  165.220 4.8616  -8.857147      7.063186  
1 1 1 -13 49  19 o 108.638 3.1073  6424.05    365.624  6436.20    547.541  6414.27    491.180  108.397 4.6637  108.332 4.1861  0.6545258E-01  6.266871  
1 1 1 -13 49  20 f 113.474 3.2510  7017.08    399.562  7254.98    583.819  6807.46    548.013  114.995 4.6874  111.436 4.5404  3.558769       6.525842  
1 1 1 -13 49  21 o 117.591 3.2032  7541.46    407.968  7611.77    593.178  7478.35    561.992  117.678 4.6539  116.718 4.4455  0.9605255      6.435956  
1 1 1 -13 49  22 o 72.122  3.4649  2844.41    270.659  2826.00    432.006  2856.30    347.263  71.113  5.6555  71.908  4.4810  -0.7944946     7.215588  
1 1 1 -13 49  23 o 48.863  1.9829  1297.78    104.941  1371.44    115.556  951.221    250.661  50.217  2.1246  40.895  5.8235  9.321423       6.198985  
1 1 1 -13 49  24 o 61.717  2.1117  2072.49    141.161  2266.31    215.806  1927.55    186.621  64.365  3.0956  59.396  2.9009  4.968868       4.242390  
1 1 1 -13 49  25 o 10.718  2.5334  65.222     28.943   65.267     29.145   62.031     246.531  10.721  2.5476  18.010  7.5372  -7.289193      7.956087  
1 1 1 -13 49  26 o 41.996  2.5392  969.179    114.959  1491.37    495.718  939.499    118.180  48.029  9.8596  41.318  2.6548  6.710579       10.21079  
1 1 1 -13 49  27 o 52.014  4.6551  1545.77    259.480  1487.97    526.219  1564.34    298.264  46.240  10.716  51.879  5.3866  -5.639721      11.99407  
1 1 1 -13 49  28 o 30.935  9.8520  665.530    371.792  838.842    494.390  439.932    564.057  33.492  11.395  27.426  11.433  6.065031       16.14141  
1 1 1 -13 49  29 o 33.736  1.5504  620.606    56.652   626.791    56.938   10.773     565.367  33.903  1.5506  22.422  10.280  11.48102       10.39579  
1 1 1 -13 49  30 o 22.765  10.372  111.304    564.086  0.0000     0.0000   111.304    564.086  ?       ?       22.765  10.372  0.000000       10.37224  
1 1 1 -13 50  1  o 131.830 2.7264  9418.14    389.285  9338.11    500.757  9540.38    618.880  131.239 3.5229  132.616 4.3087  -1.376495      5.565515  
1 1 1 -13 50  2  o 95.916  2.6771  4985.47    278.119  5045.32    391.829  4924.69    394.828  96.460  3.7504  95.297  3.8252  1.162529       5.357073  
1 1 1 -13 50  3  o 214.132 4.2962  24873.81   996.414  25261.91   1329.11  24375.78   1505.63  215.658 5.6901  211.738 6.5652  3.920456       8.687914  
1 1 1 -13 50  4  o 278.046 4.9731  41964.56   1497.65  41684.11   2116.93  42245.59   2119.08  276.790 7.0613  278.655 7.0212  -1.865295      9.957871  
1 1 1 -13 50  5  o 112.968 2.9186  6916.92    357.109  6844.19    501.834  6991.54    508.284  112.327 4.1248  113.529 4.1336  -1.202255      5.839609  
1 1 1 -13 50  6  o 194.962 3.8467  20615.72   812.295  20415.94   1147.55  20816.36   1149.97  193.866 5.4651  195.762 5.4236  -1.896454      7.699558  
1 1 1 -13 50  7  o 227.460 4.4108  28077.97   1086.65  28898.69   1445.49  27011.44   1647.80  230.584 5.7878  222.769 6.8294  7.814819       8.952050  
1 1 1 -13 50  8  o 255.631 4.6612  35477.99   1290.58  34627.19   1823.72  36331.46   1826.59  252.214 6.6761  258.375 6.5271  -6.161438      9.336636  
1 1 1 -13 50  9  o 233.305 5.0059  29571.12   1264.95  28957.94   2186.93  29879.41   1550.67  230.118 8.7743  234.336 6.1096  -4.217697      10.69183  
1 1 1 -13 50  10 o 129.339 3.1696  9072.39    444.024  8497.92    607.142  9732.94    651.044  125.089 4.4813  133.869 4.4901  -8.780693      6.343755  
1 1 1 -13 50  11 o 43.025  3.8282  1012.79    176.533  898.398    234.207  1163.28    268.631  40.262  5.5158  45.910  5.5126  -5.647800      7.798207  
1 1 1 -13 50  12 o 111.747 3.0324  6774.36    367.018  6468.77    515.150  7089.38    523.024  109.096 4.3597  114.222 4.2277  -5.125694      6.072890  
1 1 1 -13 50  13 o 131.516 3.1152  9386.92    443.745  8213.94    616.935  10644.25   638.734  122.866 4.6359  139.923 4.2146  -17.05755      6.265381  
1 1 1 -13 50  14 o 186.627 3.9500  18939.54   798.443  17924.09   1064.91  20243.31   1206.66  181.227 5.4253  192.492 5.7876  -11.26584      7.932873  
1 1 1 -13 50  15 o 49.298  3.9609  1330.97    209.704  1397.35    295.352  1263.49    297.796  50.265  5.5157  47.695  5.8898  2.570019       8.069234  
1 1 1 -13 50  16 o 128.402 3.2594  8962.87    453.290  8843.15    638.690  9084.37    643.435  127.294 4.6325  129.024 4.6043  -1.730415      6.531408  
1 1 1 -13 50  17 o 22.067  7.0492  264.110    190.227  437.518    260.600  66.320     278.317  27.778  8.1381  19.532  8.0770  8.245411       11.46588  
1 1 1 -13 50  18 f 81.577  3.3569  3622.96    296.607  3607.44    405.815  3640.76    434.594  81.080  4.6404  81.380  4.9541  -0.3004761     6.787965  
1 1 1 -13 50  19 o 213.684 4.1274  24957.35   955.252  23991.42   1351.44  25921.84   1350.43  208.452 5.9857  216.837 5.7500  -8.384613      8.300099  
1 1 1 -13 50  20 o 155.934 3.4841  13266.47   588.441  12479.05   837.551  14034.01   826.913  150.582 5.1353  159.861 4.7758  -9.278992      7.012852  
1 1 1 -13 50  21 o 80.135  3.3602  3505.82    291.650  3506.06    425.050  3505.60    400.917  79.618  4.9536  79.706  4.6643  -0.8856201E-01 6.803940  
1 1 1 -13 50  22 o 31.631  6.5169  579.868    215.837  681.796    354.014  519.564    272.300  33.716  9.3616  29.671  8.2001  4.045511       12.44512  
1 1 1 -13 50  23 o 10.147  4.9015  -251.0540  162.902  -796.6354  400.848  -143.1222  178.289  14.541  7.1635  12.201  5.6573  2.339670       9.128074  
1 1 1 -13 50  24 o 45.845  4.5992  1175.12    225.295  1275.14    475.732  1146.20    255.798  45.431  9.9440  45.025  5.3500  0.4058609      11.29190  
1 1 1 -13 50  25 o 22.872  7.4874  299.759    213.803  238.216    445.015  318.227    243.781  25.153  10.286  23.674  8.0016  1.479235       13.03206  
1 1 1 -13 50  26 o 30.592  1.3763  508.604    45.601   471.358    472.956  508.953    45.815   28.336  10.915  30.602  1.3822  -2.266724      11.00190  
1 1 1 -13 50  27 o 36.378  6.3896  798.344    242.568  757.472    490.990  811.541    278.993  32.568  11.344  36.095  7.3853  -3.526459      13.53629  
1 1 1 -13 50  28 o 23.886  9.4595  317.472    363.510  407.904    481.043  197.088    555.018  26.324  10.722  24.493  10.783  1.830805       15.20609  
1 1 1 -13 50  29 o 17.988  8.2214  -74.8291   357.917  172.588    472.855  -406.7576  547.691  22.725  9.9797  19.035  9.1417  3.690268       13.53384  
1 1 1 -13 50  30 o 29.596  11.807  726.573    570.215  0.0000     0.0000   726.573    570.215  ?       ?       29.596  11.807  0.000000       11.80745  
1 1 1 -13 51  1  o 425.057 6.8678  98283.99   3161.78  94056.06   4265.81  103438.20  4709.99  414.970 9.4911  434.972 9.9974  -20.00211      13.78509  
1 1 1 -13 51  2  o 188.651 3.8162  19300.12   779.761  18890.21   1101.82  19711.40   1103.68  186.501 5.4546  190.523 5.3484  -4.021042      7.639224  
1 1 1 -13 51  3  o 130.002 3.0771  9160.96    433.267  8689.18    611.456  9636.69    614.017  126.547 4.4611  133.279 4.2535  -6.732765      6.163923  
1 1 1 -13 51  4  o 279.781 5.4013  42514.68   1636.76  42416.03   2160.90  42647.45   2506.91  279.152 7.1470  279.671 8.2760  -0.5187683     10.93490  
1 1 1 -13 51  5  o 258.345 4.6628  36225.82   1304.72  35623.88   1843.47  36829.97   1846.83  255.891 6.6514  260.204 6.5530  -4.313156      9.337162  
1 1 1 -13 51  6  o 235.133 4.3729  30003.17   1113.67  30947.34   1573.53  29055.53   1576.42  238.572 6.0896  231.133 6.2971  7.439087       8.759900  
1 1 1 -13 51  7  o 304.922 6.2739  50579.40   2072.02  52166.35   2930.09  48992.05   2930.46  309.011 8.7546  299.376 9.0375  9.634827       12.58254  
1 1 1 -13 51  8  o 78.508  2.7716  3341.08    235.676  3671.04    333.866  3013.37    332.728  82.262  3.7472  74.400  4.1455  7.861496       5.588055  
1 1 1 -13 51  9  o 45.703  5.3141  1150.70    258.141  1146.64    371.077  1154.50    359.338  45.186  7.8680  45.398  7.5748  -0.2125473     10.92170  
1 1 1 -13 51  10 o 60.567  2.4529  1988.46    160.911  1961.53    296.142  1999.74    191.674  59.912  4.5988  60.727  2.9141  -0.8153877     5.444354  
1 1 1 -13 51  11 o 53.189  3.5097  1542.07    201.056  1843.40    278.699  1215.06    290.330  58.071  4.4652  46.869  5.8463  11.20166       7.356448  
1 1 1 -13 51  12 o 159.820 3.4190  13865.66   591.826  13012.99   833.245  14733.74   840.743  154.622 4.9754  164.570 4.7168  -9.947784      6.855855  
1 1 1 -13 51  13 o 140.799 3.2223  10762.53   491.393  9891.23    686.483  11678.10   703.707  134.791 4.7022  146.503 4.4348  -11.71252      6.463590  
1 1 1 -13 51  14 o 117.912 3.0014  7548.49    383.318  7465.52    529.550  7639.82    555.571  117.124 4.1744  118.462 4.3300  -1.337402      6.014532  
1 1 1 -13 51  15 o 75.925  2.7310  3129.50    224.582  3325.99    373.919  3018.62    280.890  77.989  4.4450  74.510  3.4806  3.479179       5.645582  
1 1 1 -13 51  16 o 79.245  2.9055  3411.67    249.378  4041.99    416.085  3058.32    311.532  85.951  4.4851  74.840  3.8563  11.11104       5.914989  
1 1 1 -13 51  17 o 52.143  4.0429  1491.37    226.545  1515.49    316.194  1465.92    324.743  52.249  5.6788  51.315  5.9535  0.9339027      8.227612  
1 1 1 -13 51  18 o 143.920 3.3456  11278.81   521.512  10472.08   735.751  12093.37   739.320  138.241 4.9139  148.668 4.5914  -10.42696      6.725114  
1 1 1 -13 51  19 o 143.269 3.4473  11189.73   534.937  11483.54   764.948  10908.53   748.354  144.658 4.8822  140.983 4.9008  3.675308       6.917682  
1 1 1 -13 51  20 f 55.644  2.0043  1681.09    120.794  1540.13    172.682  1816.15    169.034  53.091  3.0155  57.776  2.7012  -4.685577      4.048403  
1 1 1 -13 51  21 o 57.820  3.9197  1839.30    244.025  2274.68    357.502  1459.48    333.912  63.970  5.2049  50.852  6.1902  13.11754       8.087655  
1 1 1 -13 51  22 o 123.227 3.3484  8302.55    446.896  8860.68    647.217  7793.98    617.821  126.708 4.7160  118.796 4.8016  7.912193       6.730264  
1 1 1 -13 51  23 o 42.051  2.4206  966.300    109.782  921.939    117.289  1279.92    311.860  41.033  2.6533  47.354  6.2318  -6.320511      6.773115  
1 1 1 -13 51  24 o 40.706  5.0748  936.472    218.882  1379.56    463.222  809.103    248.357  47.542  9.3290  37.349  6.3677  10.19269       11.29505  
1 1 1 -13 51  25 o 50.484  4.3554  1427.70    235.822  1388.28    496.627  1439.17    267.958  46.626  10.124  50.439  4.9695  -3.812733      11.27798  
1 1 1 -13 51  26 o 40.897  5.4696  972.537    236.210  734.928    484.933  1046.45    270.466  32.702  11.280  42.104  6.1093  -9.402504      12.82858  
1 1 1 -13 51  27 o 19.155  2.3615  204.131    47.957   197.194    48.416   564.485    348.955  18.806  2.4341  29.093  9.5675  -10.28699      9.872268  
1 1 1 -13 51  28 o 23.933  9.4388  324.407    360.530  98.324     475.929  628.852    552.284  22.344  9.9030  29.695  11.692  -7.351263      15.32194  
1 1 1 -13 51  29 o 30.758  9.9941  694.101    381.191  758.982    508.834  611.114    575.466  30.986  11.454  28.686  11.710  2.299961       16.38075  
1 1 1 -13 51  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 52  1  o 44.887  1.3091  1091.32    63.645   1153.69    68.577   703.920    170.906  46.151  1.3719  35.734  4.5167  10.41763       4.720434  
1 1 1 -13 52  2  o 92.322  2.5274  4618.85    252.721  4408.88    377.480  4789.40    340.220  90.160  3.8655  93.988  3.3421  -3.828331      5.109989  
1 1 1 -13 52  3  o 110.760 2.9443  6649.60    353.217  6741.80    497.410  6555.81    501.667  111.477 4.1196  109.924 4.2136  1.552895       5.892848  
1 1 1 -13 52  4  o 269.389 4.9439  39402.85   1442.52  41171.67   2040.08  37634.21   2039.98  275.042 6.8482  262.899 7.1642  12.14264       9.910805  
1 1 1 -13 52  5  o 261.704 4.7446  37181.87   1344.86  37210.65   1900.49  37153.00   1903.35  261.483 6.7104  261.277 6.7258  0.2055664      9.500892  
1 1 1 -13 52  6  o 390.247 7.8446  83058.70   3315.76  83296.38   4688.99  82820.97   4689.39  389.427 11.117  388.298 11.150  1.129211       15.74519  
1 1 1 -13 52  7  o 171.041 3.5432  15867.53   656.393  15966.99   927.432  15767.70   929.131  171.446 4.9944  170.368 5.0352  1.077606       7.092086  
1 1 1 -13 52  8  o 80.322  2.8051  3497.56    244.039  3459.51    344.622  3535.83    345.628  79.841  3.9852  80.718  3.9533  -0.8771973     5.613414  
1 1 1 -13 52  9  o 41.741  5.6119  964.739    247.285  580.361    354.869  1327.56    344.776  32.262  9.5094  48.907  6.6837  -16.64491      11.62330  
1 1 1 -13 52  10 f 80.405  2.9112  3506.07    253.529  3241.79    349.718  3798.82    368.074  77.143  4.2014  83.638  4.0631  -6.495811      5.844705  
1 1 1 -13 52  11 o 132.074 3.1493  9464.63    450.515  9065.71    633.125  9873.79    641.200  129.130 4.5268  134.778 4.3924  -5.647705      6.307545  
1 1 1 -13 52  12 o 130.494 3.1064  9241.46    439.047  8511.98    613.981  10004.81   628.072  125.088 4.5318  135.648 4.2749  -10.55973      6.229905  
1 1 1 -13 52  13 o 95.664  2.9471  4967.23    305.364  4602.19    422.142  5367.89    442.260  91.972  4.2377  99.342  4.1103  -7.370384      5.903650  
1 1 1 -13 52  14 o 137.053 3.3044  10205.93   490.512  9650.42    673.223  10834.53   716.141  133.051 4.6716  140.974 4.6902  -7.922852      6.619825  
1 1 1 -13 52  15 o 135.516 3.2707  9982.34    480.064  9580.75    667.393  10412.89   691.049  132.511 4.6501  138.153 4.6183  -5.641846      6.553741  
1 1 1 -13 52  16 o 110.330 3.1589  6618.05    377.483  6047.49    530.322  7204.02    537.433  105.225 4.6532  114.915 4.3180  -9.689476      6.347973  
1 1 1 -13 52  17 o 111.208 3.1951  6727.96    384.845  6723.53    545.796  6732.33    542.723  110.915 4.5433  110.994 4.5145  -0.7897949E-01 6.404831  
1 1 1 -13 52  18 o 86.331  3.2609  4058.32    304.906  4049.71    427.868  4067.21    434.616  85.884  4.6166  86.054  4.6806  -0.1695099     6.574294  
1 1 1 -13 52  19 o 111.776 3.2452  6807.23    392.881  6327.01    545.962  7323.00    565.805  107.407 4.6931  115.605 4.5188  -8.198051      6.514922  
1 1 1 -13 52  20 o 63.408  2.5948  2187.13    178.207  2202.44    357.238  2182.06    205.618  62.979  5.2860  63.287  2.9997  -0.3078194     6.077803  
1 1 1 -13 52  21 o 59.900  3.8401  1973.14    247.825  2146.06    362.722  1821.75    339.395  62.015  5.4557  57.067  5.5616  4.948051       7.790773  
1 1 1 -13 52  22 o 31.193  6.7333  567.460    220.819  912.089    349.831  339.203    284.704  39.133  8.4971  25.046  8.6432  14.08778       12.12043  
1 1 1 -13 52  23 o 56.481  2.7519  1740.84    168.346  1729.14    499.948  1742.34    178.786  53.859  8.8798  56.402  2.9368  -2.542229      9.352809  
1 1 1 -13 52  24 o 49.955  4.4314  1393.25    237.278  1679.75    485.899  1303.54    271.902  52.775  8.8112  47.992  5.3204  4.783588       10.29292  
1 1 1 -13 52  25 o 40.520  5.2167  940.026    223.627  758.845    472.167  992.421    253.911  33.971  11.127  41.385  5.8259  -7.413677      12.55994  
1 1 1 -13 52  26 o 62.211  2.7480  2128.51    185.159  2815.98    549.468  2040.44    196.661  67.909  7.6007  60.826  2.9851  7.083191       8.165880  
1 1 1 -13 52  27 o 55.463  5.3712  1789.95    318.615  1460.92    533.654  1972.21    397.172  45.313  10.987  57.342  6.5103  -12.02964      12.77105  
1 1 1 -13 52  28 o 18.491  8.3341  -35.8227   352.408  -414.0005  463.896  480.246    541.909  17.595  8.4405  27.508  11.312  -9.913136      14.11392  
1 1 1 -13 52  29 o 27.641  9.9278  546.480    378.365  286.249    501.461  890.463    576.536  24.224  10.461  32.516  12.158  -8.292274      16.03891  
1 1 1 -13 52  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 53  1  o 121.724 2.9406  8031.54    387.692  7728.91    550.297  8329.77    546.284  119.348 4.2571  123.910 4.0704  -4.562737      5.889931  
1 1 1 -13 53  2  o 102.402 2.7911  5683.56    309.562  5528.38    435.955  5841.38    439.642  100.950 3.9872  103.771 3.9116  -2.821793      5.585522  
1 1 1 -13 53  3  o 116.822 2.8760  7397.48    363.903  7610.15    515.142  7185.64    514.132  118.438 4.0157  115.082 4.1247  3.356339       5.756690  
1 1 1 -13 53  4  o 110.908 2.8192  6667.40    338.659  7000.15    477.840  6331.58    480.040  113.597 3.8837  108.025 4.1028  5.571495       5.649455  
1 1 1 -13 53  5  o 122.358 2.9435  8116.08    390.088  7844.60    546.822  8397.40    556.645  120.231 4.1991  124.400 4.1313  -4.168221      5.890708  
1 1 1 -13 53  6  o 83.435  2.7247  3773.46    246.234  3707.91    344.864  3841.64    351.690  82.670  3.8515  84.147  3.8588  -1.477287      5.452008  
1 1 1 -13 53  7  o 159.545 3.4516  13806.78   596.442  14362.64   844.051  13252.38   842.944  162.606 4.7925  156.176 4.9833  6.430496       6.913828  
1 1 1 -13 53  8  o 238.180 4.4214  30809.00   1140.60  30591.34   1611.31  31027.60   1614.81  236.999 6.2772  238.689 6.2462  -1.690582      8.855409  
1 1 1 -13 53  9  o 135.400 4.4755  9960.31    656.341  10945.81   931.035  8986.69    925.403  141.750 6.0642  128.188 6.6884  13.56245       9.028232  
1 1 1 -13 53  10 o 58.249  3.3146  1847.06    208.251  1847.10    282.310  1847.02    308.447  58.120  4.5202  58.062  4.9521  0.5757904E-01  6.704916  
1 1 1 -13 53  11 o 126.797 3.1075  8724.12    426.760  8989.56    596.962  8446.66    610.318  128.596 4.2860  124.625 4.5215  3.970215       6.230040  
1 1 1 -13 53  12 o 112.514 3.0042  6870.56    366.102  6902.84    510.071  6836.26    525.778  112.664 4.1800  112.103 4.3303  0.5617523      6.018594  
1 1 1 -13 53  13 o 177.754 3.6306  17173.76   698.977  16069.39   985.573  18291.36   991.458  171.590 5.3031  183.148 4.9981  -11.55843      7.287201  
1 1 1 -13 53  14 o 80.785  3.1319  3545.47    274.040  3402.50    383.804  3694.15    391.409  78.880  4.5111  82.218  4.4115  -3.338387      6.309586  
1 1 1 -13 53  15 o 26.160  1.4051  371.934    39.667   377.560    254.314  371.793    40.158   26.127  8.1249  26.153  1.4230  -0.2598381E-01 8.248554  
1 1 1 -13 53  16 o 98.665  3.1206  5292.80    333.480  4721.91    474.277  5851.04    468.991  92.836  4.7325  103.575 4.1806  -10.73861      6.314568  
1 1 1 -13 53  17 o 21.628  7.0186  251.890    188.023  281.950    260.322  219.105    271.864  23.644  8.2588  22.396  8.3538  1.248249       11.74707  
1 1 1 -13 53  18 o 49.069  4.2186  1325.69    222.022  1388.30    306.007  1256.11    322.624  49.876  5.7712  47.226  6.4780  2.649837       8.675897  
1 1 1 -13 53  19 o 18.645  7.0360  145.038    193.988  -34.2105   264.210  354.680    285.734  17.286  7.5285  25.697  8.6629  -8.411757      11.47714  
1 1 1 -13 53  20 o 72.592  3.7288  2888.65    292.188  3212.75    409.959  2554.05    416.552  76.211  4.9941  67.680  5.7364  8.530914       7.605790  
1 1 1 -13 53  21 o 92.882  3.0140  4705.98    303.214  4608.97    475.362  4772.53    393.707  91.285  4.8250  93.310  3.8956  -2.025192      6.201335  
1 1 1 -13 53  22 o 26.682  1.5558  387.728    44.766   449.108    348.887  386.701    45.140   28.212  9.5722  26.645  1.5711  1.566504       9.700279  
1 1 1 -13 53  23 o 40.000  5.5279  908.779    233.094  920.299    372.816  901.386    298.668  38.940  9.0171  39.196  7.3038  -0.2563705     11.60406  
1 1 1 -13 53  24 o 16.575  6.8084  67.057     196.040  26.257     421.447  78.323     221.457  21.941  9.5322  17.602  7.2340  4.338572       11.96635  
1 1 1 -13 53  25 o 28.227  7.0071  483.718    213.230  474.428    450.556  486.399    242.053  28.500  10.730  28.109  7.7160  0.3904572      13.21617  
1 1 1 -13 53  26 o 28.809  7.1018  514.848    220.189  630.893    472.126  482.591    248.918  30.547  11.074  27.608  7.9151  2.938910       13.61156  
1 1 1 -13 53  27 o 24.788  8.4503  385.528    271.909  726.402    472.107  216.329    332.616  31.806  11.121  21.918  8.9202  9.887779       14.25663  
1 1 1 -13 53  28 o 57.558  6.8034  2037.55    415.931  1603.06    555.719  2590.96    627.172  46.406  11.187  61.434  9.7514  -15.02758      14.84057  
1 1 1 -13 53  29 o 40.913  9.1983  1168.37    397.703  1283.76    529.524  1019.06    602.366  39.998  11.567  34.113  12.486  5.885254       17.02067  
1 1 1 -13 53  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 54  1  o 180.113 3.6320  17595.10   708.532  16956.33   1001.76  18234.53   1002.27  176.669 5.2352  183.227 5.0504  -6.557846      7.274184  
1 1 1 -13 54  2  o 216.606 4.1645  25459.52   977.017  25603.27   1381.22  25315.56   1382.20  217.001 5.8767  215.773 5.9143  1.228165       8.337511  
1 1 1 -13 54  3  o 56.919  2.7706  1756.09    170.808  1772.63    239.482  1738.97    243.691  57.029  3.9005  56.472  4.0103  0.5570297      5.594325  
1 1 1 -13 54  4  o 129.969 2.9971  9157.84    421.905  9276.63    595.566  9038.18    597.769  130.741 4.2058  129.045 4.2768  1.695923       5.998336  
1 1 1 -13 54  5  o 131.505 3.1755  9377.22    452.301  9213.39    639.044  9541.66    640.257  130.265 4.5293  132.571 4.4590  -2.305603      6.355884  
1 1 1 -13 54  6  o 139.184 3.1537  10504.93   475.418  10577.11   669.320  10431.44   675.405  139.571 4.4276  138.601 4.4991  0.9703369      6.312355  
1 1 1 -13 54  7  o 108.607 2.9156  6395.70    342.969  6431.85    486.145  6359.88    483.926  108.847 4.1236  108.236 4.1280  0.6110535      5.834739  
1 1 1 -13 54  8  o 147.759 3.2208  11842.86   515.446  12222.96   727.742  11460.22   730.166  149.997 4.4794  145.225 4.6421  4.772324       6.450898  
1 1 1 -13 54  9  o 75.474  3.3856  3091.06    276.756  3340.60    337.086  2574.96    484.778  78.330  3.9864  68.377  6.6290  9.952621       7.735342  
1 1 1 -13 54  10 o 152.128 3.2895  12559.98   542.009  12345.57   758.424  12783.79   774.873  150.664 4.6476  153.312 4.6664  -2.648010      6.586060  
1 1 1 -13 54  11 o 54.275  3.4426  1605.93    201.329  1499.57    275.697  1727.44    294.695  52.251  4.9298  56.117  4.8976  -3.866440      6.949073  
1 1 1 -13 54  12 o 108.840 2.9706  6429.99    350.186  6500.23    488.012  6355.42    502.796  109.317 4.1217  108.072 4.2955  1.244957       5.953074  
1 1 1 -13 54  13 o 72.604  3.2573  2863.79    256.143  2976.88    380.580  2770.14    346.322  73.735  4.7914  71.162  4.5166  2.573006       6.584639  
1 1 1 -13 54  14 o 92.735  3.0653  4672.05    307.882  4617.35    433.707  4727.62    437.134  92.042  4.3505  93.137  4.3334  -1.094902      6.140442  
1 1 1 -13 54  15 o 86.842  3.1035  4099.15    291.907  3799.59    410.333  4406.07    415.352  83.309  4.5649  89.888  4.2663  -6.578674      6.248137  
1 1 1 -13 54  16 o 53.022  3.8036  1539.62    216.985  1281.62    307.024  1797.09    306.704  47.913  6.0512  57.088  5.0109  -9.175182      7.856593  
1 1 1 -13 54  17 o 86.651  3.3097  4088.06    310.620  4262.44    445.395  3922.93    433.415  88.124  4.6832  84.514  4.7542  3.609894       6.673418  
1 1 1 -13 54  18 o 94.008  3.1151  4811.42    317.186  4636.44    459.207  4971.07    438.638  91.878  4.6294  95.339  4.2478  -3.461136      6.282947  
1 1 1 -13 54  19 o 38.374  5.2341  825.237    211.874  706.696    292.360  956.359    307.483  34.796  7.9335  40.814  7.2198  -6.018188      10.72691  
1 1 1 -13 54  20 o 43.748  4.8288  1065.98    224.993  1030.03    312.358  1104.75    324.357  42.351  7.0579  43.892  7.0624  -1.540817      9.984570  
1 1 1 -13 54  21 o 47.089  4.6618  1233.61    234.639  1091.56    329.918  1379.00    333.776  43.447  7.2677  49.264  6.4071  -5.817253      9.688637  
1 1 1 -13 54  22 o 34.223  1.4987  635.643    55.552   436.843    357.421  640.565    56.235   27.995  9.6829  34.355  1.5113  -6.360294      9.800148  
1 1 1 -13 54  23 o 44.335  5.1357  1107.77    242.045  1383.26    391.695  937.594    307.858  48.534  7.7091  39.918  7.3928  8.615990       10.68097  
1 1 1 -13 54  24 o 19.001  7.1427  166.618    199.506  306.516    449.828  132.360    222.597  26.276  10.486  18.749  7.4095  7.527515       12.83959  
1 1 1 -13 54  25 o 30.400  1.5001  502.503    49.394   510.449    50.492   325.765    238.142  30.637  1.5216  23.509  7.9087  7.128227       8.053763  
1 1 1 -13 54  26 o 23.336  7.5053  331.979    215.363  651.514    466.572  245.465    242.774  30.887  11.032  21.304  7.9045  9.582661       13.57133  
1 1 1 -13 54  27 o 34.743  9.6411  831.025    375.582  844.722    500.204  813.324    568.663  33.681  11.461  32.783  12.111  0.8979645      16.67436  
1 1 1 -13 54  28 o 23.966  1.6854  315.017    43.471   315.767    43.603   192.353    557.618  23.994  1.6886  24.131  10.706  -0.1367435     10.83835  
1 1 1 -13 54  29 o 35.906  1.9766  708.804    76.575   710.865    77.260   594.050    576.499  35.954  1.9917  28.178  11.636  7.776459       11.80539  
1 1 1 -13 55  1  o 213.977 3.9806  24844.53   922.536  25210.15   1305.05  24479.34   1304.28  215.340 5.5954  212.184 5.6753  3.155991       7.969795  
1 1 1 -13 55  2  o 230.669 4.3710  28883.77   1092.04  27986.22   1543.87  29782.51   1544.89  226.769 6.2857  233.968 6.0964  -7.198441      8.756492  
1 1 1 -13 55  3  o 177.728 3.5951  17134.15   692.052  16060.51   976.922  18215.69   980.506  171.911 5.2467  183.118 4.9437  -11.20718      7.208874  
1 1 1 -13 55  4  o 136.176 3.1957  10055.92   471.347  9743.44    651.423  10399.27   682.857  133.957 4.4898  138.386 4.5558  -4.429504      6.396397  
1 1 1 -13 55  5  o 112.268 2.9388  6833.84    357.351  6987.35    502.078  6676.24    508.729  113.460 4.0856  110.895 4.2355  2.564095       5.884881  
1 1 1 -13 55  6  o 58.900  2.8529  1880.95    181.999  1796.37    253.097  1971.53    261.899  57.379  4.0995  60.130  4.0449  -2.751427      5.759077  
1 1 1 -13 55  7  o 61.934  2.8946  2080.00    194.169  2008.96    272.438  2153.33    276.807  60.682  4.1705  62.843  4.0890  -2.161140      5.840631  
1 1 1 -13 55  8  o 53.548  3.0384  1560.31    175.496  1515.55    227.226  1626.48    276.280  52.676  4.0128  54.495  4.7277  -1.818954      6.201108  
1 1 1 -13 55  9  f 178.073 4.2242  17231.37   814.728  17683.59   995.434  16313.69   1418.01  180.254 5.0987  172.614 7.5846  7.640793       9.139101  
1 1 1 -13 55  10 o 96.296  2.9069  5030.86    303.190  5058.64    422.033  5001.24    435.850  96.481  4.0386  95.919  4.1953  0.5621185      5.823339  
1 1 1 -13 55  11 o 77.035  2.9088  3220.40    242.700  3077.38    330.680  3387.40    357.326  75.120  4.0796  78.808  4.2014  -3.687683      5.856172  
1 1 1 -13 55  12 o 77.601  2.9547  3269.17    248.340  3237.98    350.697  3300.55    351.717  77.019  4.2201  77.766  4.1912  -0.7466812     5.947715  
1 1 1 -13 55  13 o 15.568  6.2054  68.146     157.374  125.309    214.808  1.9175     231.216  18.887  7.3331  16.882  7.1929  2.004425       10.27187  
1 1 1 -13 55  14 o 65.838  3.4963  2364.24    248.423  2602.80    368.123  2164.76    336.631  68.848  4.9700  62.751  4.9943  6.097164       7.045835  
1 1 1 -13 55  15 o 53.011  3.8610  1538.78    220.161  1583.04    298.142  1485.70    326.496  53.535  5.2077  51.693  5.9393  1.841904       7.899102  
1 1 1 -13 55  16 o 62.523  3.4961  2135.07    235.803  2156.00    335.358  2114.62    331.624  62.556  4.9911  61.951  4.9845  0.6052170      7.053803  
1 1 1 -13 55  17 o 105.413 3.1373  6047.99    358.193  6722.45    513.155  5407.10    500.216  110.898 4.2722  99.374  4.6474  11.52374       6.312744  
1 1 1 -13 55  18 o 18.298  1.2702  182.355    25.018   -133.6925  250.545  185.538    25.143   15.365  6.9665  18.458  1.2653  -3.093143      7.080465  
1 1 1 -13 55  19 f 22.364  7.1996  274.588    198.141  294.300    269.338  251.337    292.523  23.948  8.3986  23.381  8.6764  0.5679398      12.07541  
1 1 1 -13 55  20 o 75.514  3.5129  3116.85    287.313  2955.06    413.109  3268.42    399.860  72.933  5.2650  76.871  4.8271  -3.938126      7.142915  
1 1 1 -13 55  21 o 37.020  5.7499  779.564    223.073  1208.00    313.609  340.794    317.368  46.010  6.4721  25.552  9.1014  20.45796       11.16794  
1 1 1 -13 55  22 o 59.012  4.2363  1928.05    268.969  1912.00    406.984  1940.50    358.393  57.879  6.6108  58.689  5.7105  -0.8100433     8.735634  
1 1 1 -13 55  23 o 89.804  3.5208  4428.63    342.460  4406.75    535.868  4443.73    445.249  88.482  5.6207  89.405  4.6138  -0.9233093     7.271833  
1 1 1 -13 55  24 o 18.220  7.0769  136.770    200.124  31.963     448.344  162.848    223.639  22.381  9.7757  19.410  7.4973  2.971363       12.31964  
1 1 1 -13 55  25 f 38.694  5.5380  872.386    225.473  1020.75    492.909  833.126    253.556  38.248  11.188  37.316  6.5102  0.9321785      12.94464  
1 1 1 -13 55  26 o 17.658  7.1500  112.840    212.461  33.001     472.816  133.040    237.824  22.052  9.8172  18.696  7.5667  3.356031       12.39491  
1 1 1 -13 55  27 o 66.798  6.1685  2659.28    441.241  2516.13    598.762  2829.41    652.744  61.690  9.2461  65.085  9.5431  -3.394855      13.28760  
1 1 1 -13 55  28 o 58.180  6.9175  2098.36    427.361  2001.73    581.083  2212.22    630.722  52.723  10.544  54.903  10.990  -2.179760      15.23009  
1 1 1 -13 55  29 o 24.493  9.6760  381.298    379.470  221.223    513.227  574.342    563.608  23.504  10.357  27.960  11.521  -4.455341      15.49237  
1 1 1 -13 56  1  o 184.609 3.7452  18491.35   748.865  18578.11   1009.13  18385.02   1117.21  184.900 5.0389  183.861 5.6102  1.038605       7.540872  
1 1 1 -13 56  2  o 167.690 3.5437  15254.37   643.625  14797.74   951.811  15639.09   873.649  164.985 5.3264  169.676 4.7538  -4.691544      7.139322  
1 1 1 -13 56  3  f 195.884 3.7484  20819.80   795.266  21216.16   1123.75  20422.14   1125.60  197.556 5.2518  193.808 5.3622  3.747635       7.505658  
1 1 1 -13 56  4  f 79.311  2.8348  3410.34    243.514  3224.28    340.860  3604.30    348.013  76.960  4.1040  81.491  3.9429  -4.531395      5.691180  
1 1 1 -13 56  5  o 145.325 3.3073  11455.83   520.570  11150.83   734.270  11764.06   738.140  143.255 4.7323  147.152 4.6313  -3.896667      6.621459  
1 1 1 -13 56  6  o 89.498  2.7954  4343.19    270.976  4364.76    379.362  4320.72    387.194  89.667  3.9062  89.208  4.0073  0.4592056      5.596136  
1 1 1 -13 56  7  o 33.217  3.9862  607.719    140.550  538.729    195.105  682.145    202.644  30.918  6.0428  34.978  5.5331  -4.059404      8.193330  
1 1 1 -13 56  8  o 210.316 4.6619  24052.45   1061.96  24512.30   1839.06  23822.41   1300.73  211.471 8.0293  209.087 5.7437  2.383514       9.872149  
1 1 1 -13 56  9  o 183.164 4.2237  18235.72   837.932  17950.16   1024.01  18814.40   1457.73  181.551 5.2076  185.382 7.2601  -3.831512      8.934619  
1 1 1 -13 56  10 o 26.579  5.0843  397.616    141.031  489.849    185.637  271.717    216.885  29.423  6.0277  22.798  7.5449  6.625742       9.657089  
1 1 1 -13 56  11 o 96.455  2.8871  5049.44    301.614  5187.10    419.824  4902.58    433.604  97.665  3.9688  94.923  4.2175  2.741814       5.791211  
1 1 1 -13 56  12 o 39.304  4.0901  849.749    171.564  651.336    255.504  1012.67    231.523  33.795  7.2006  42.780  5.0970  -8.985046      8.822040  
1 1 1 -13 56  13 o 110.823 3.0776  6672.42    369.409  6667.62    518.408  6677.37    526.533  110.612 4.3271  110.682 4.3921  -0.7035065E-01 6.165626  
1 1 1 -13 56  14 o 45.023  4.2164  1114.55    203.216  997.794    301.036  1212.30    275.447  42.043  6.8464  46.728  5.5510  -4.684212      8.814010  
1 1 1 -13 56  15 o 39.482  4.6521  863.201    195.122  904.625    270.739  818.430    281.462  40.046  6.4620  37.895  7.1189  2.150242       9.614367  
1 1 1 -13 56  16 o 62.767  3.7409  2155.12    253.162  1758.75    382.124  2465.19    337.976  56.106  6.4029  66.964  4.6895  -10.85796      7.936514  
1 1 1 -13 56  17 f 139.436 3.3341  10590.71   503.534  10215.22   725.785  10939.17   699.170  136.479 4.9099  141.352 4.5668  -4.872879      6.705430  
1 1 1 -13 56  18 o 55.105  2.2782  1649.45    135.972  1218.44    333.400  1735.45    148.920  46.341  6.8488  56.511  2.4331  -10.16940      7.268125  
1 1 1 -13 56  19 o 119.734 3.2734  7820.29    424.515  7448.24    608.272  8173.57    592.739  116.359 4.8264  122.023 4.4849  -5.663803      6.588540  
1 1 1 -13 56  20 o 71.662  3.6095  2816.22    279.261  2580.82    381.961  3086.57    409.329  68.129  5.2159  74.581  5.0978  -6.452011      7.293370  
1 1 1 -13 56  21 f 96.622  3.2811  5104.36    343.372  4943.29    489.169  5260.82    482.111  94.461  4.7969  97.660  4.5578  -3.198997      6.616980  
1 1 1 -13 56  22 f 31.462  7.2502  584.315    241.984  412.272    383.391  698.234    311.977  27.723  9.9897  34.081  8.4846  -6.358006      13.10654  
1 1 1 -13 56  23 o 70.740  3.8737  2766.13    295.670  2465.30    452.512  2990.25    390.573  65.597  6.4526  73.090  4.9631  -7.493492      8.140516  
1 1 1 -13 56  24 o 7.5159  2.7994  23.677     30.508   21.828     30.797   120.956    223.376  7.4144  2.8021  18.406  7.3738  -10.99127      7.888300  
1 1 1 -13 56  25 o 57.735  4.0303  1871.80    250.448  2265.59    541.305  1764.54    282.504  60.101  8.5572  55.679  4.7293  4.422096       9.777148  
1 1 1 -13 56  26 f 24.750  8.2118  381.274    256.862  492.610    484.237  337.681    303.003  28.114  10.984  24.000  8.8451  4.113836       14.10245  
1 1 1 -13 56  27 o 17.426  8.0537  -149.6783  357.033  169.678    476.070  -560.1748  539.745  23.202  10.106  18.288  8.8548  4.914665       13.43617  
1 1 1 -13 56  28 o 14.168  6.9273  -515.5997  353.225  -494.0562  473.560  -542.6161  530.314  17.120  8.2908  17.946  8.7101  -0.8256130     12.02509  
1 1 1 -13 56  29 f 32.154  10.101  772.742    391.953  1164.90    530.872  302.792    581.145  37.653  11.744  24.974  11.012  12.67994       16.09905  
1 1 1 -13 57  1  o 148.066 3.2153  11890.86   515.646  11451.02   728.699  12331.99   729.768  145.184 4.6341  150.681 4.4715  -5.497665      6.439643  
1 1 1 -13 57  2  o 133.163 3.1278  9616.81    451.116  9464.99    650.206  9757.72    626.408  132.001 4.5478  134.047 4.3145  -2.046112      6.268761  
1 1 1 -13 57  3  o 164.538 3.5418  14688.90   631.188  14004.50   891.468  15376.89   893.807  160.493 5.1284  168.201 4.9062  -7.708267      7.097251  
1 1 1 -13 57  4  o 172.770 3.4706  16195.45   649.443  15438.60   916.286  16959.50   920.631  168.512 5.0203  176.646 4.8118  -8.133530      6.953933  
1 1 1 -13 57  5  o 145.369 3.1999  11463.43   503.824  11037.21   709.370  11897.29   715.700  142.514 4.5956  147.977 4.4655  -5.462860      6.407818  
1 1 1 -13 57  6  f 118.709 2.9921  7643.35    384.711  7412.83    540.979  7879.19    547.203  116.810 4.2759  120.435 4.1949  -3.625542      5.990082  
1 1 1 -13 57  7  o 156.811 3.4718  13346.74   589.651  13127.01   801.465  13606.01   870.604  155.359 4.7630  158.122 5.0835  -2.762344      6.966149  
1 1 1 -13 57  8  o 168.874 4.0616  15496.19   742.901  13579.90   1284.23  16459.96   910.755  157.447 7.5308  173.925 4.8347  -16.47865      8.949148  
1 1 1 -13 57  9  o 68.854  2.8434  2572.12    212.051  2562.99    295.584  2581.81    304.381  68.555  3.9982  68.794  4.1037  -0.2394485     5.729402  
1 1 1 -13 57  10 o 77.786  2.8505  3283.51    240.156  3223.97    340.422  3342.51    338.846  76.884  4.1028  78.301  4.0089  -1.416855      5.736224  
1 1 1 -13 57  11 o 159.820 3.5221  13881.68   609.684  13614.84   825.969  14201.11   903.713  158.031 4.8256  161.318 5.1722  -3.287048      7.073798  
1 1 1 -13 57  12 o 168.156 3.4884  15372.59   635.351  15198.63   901.425  15544.32   895.646  166.865 4.9876  168.775 4.8996  -1.910217      6.991593  
1 1 1 -13 57  13 o 117.730 3.1491  7532.59    401.560  7993.30    574.698  7093.08    561.320  121.079 4.3823  114.028 4.5450  7.050850       6.313566  
1 1 1 -13 57  14 o 97.979  3.0510  5217.67    323.779  4992.06    471.734  5418.62    445.202  95.627  4.5546  99.700  4.1228  -4.073746      6.143419  
1 1 1 -13 57  15 o 177.310 3.6853  17126.41   707.735  17128.57   1003.42  17124.27   998.379  176.791 5.2402  176.779 5.2143  0.1184082E-01  7.392476  
1 1 1 -13 57  16 o 175.378 3.6593  16767.32   695.086  16818.64   986.326  16716.69   979.708  175.059 5.2020  174.536 5.1825  0.5228119      7.342947  
1 1 1 -13 57  17 o 62.782  3.6056  2156.65    244.152  2019.27    350.552  2286.07    340.244  60.349  5.4208  64.368  4.9176  -4.018471      7.319014  
1 1 1 -13 57  18 o 35.852  5.3225  722.806    200.405  632.106    284.694  811.895    282.154  32.879  8.0573  37.542  7.2010  -4.662872      10.80620  
1 1 1 -13 57  19 o 22.035  7.2011  264.848    197.798  193.003    267.458  351.576    293.858  21.543  8.2299  25.622  8.7845  -4.078846      12.03737  
1 1 1 -13 57  20 o 24.556  7.2195  347.074    204.773  764.291    280.694  -127.5936  299.397  36.181  7.4120  17.031  7.6783  19.14997       10.67211  
1 1 1 -13 57  21 o 67.709  3.8168  2523.60    278.769  2711.50    403.065  2351.30    385.969  69.647  5.3851  64.763  5.5562  4.883888       7.737620  
1 1 1 -13 57  22 o 73.611  3.7601  2984.48    298.788  2880.24    447.033  3068.64    401.693  71.479  5.8248  74.159  5.0308  -2.679733      7.696618  
1 1 1 -13 57  23 o 63.251  4.2586  2225.59    290.044  2427.51    455.800  2088.18    375.992  64.922  6.5726  60.576  5.8016  4.345398       8.766895  
1 1 1 -13 57  24 o 74.568  2.7886  3050.64    225.221  3010.32    591.792  3057.47    243.547  70.672  7.8647  74.570  3.0154  -3.898247      8.422946  
1 1 1 -13 57  25 o 36.277  6.0439  781.272    229.118  992.526    488.801  721.787    259.378  37.471  11.189  34.226  7.2238  3.245312       13.31820  
1 1 1 -13 57  26 o 46.634  5.7074  1279.52    282.260  1649.21    520.265  1125.32    336.009  49.275  10.088  42.462  7.5842  6.813080       12.62080  
1 1 1 -13 57  27 o 21.040  8.9784  143.700    361.296  -62.9535   481.177  410.793    547.034  20.781  9.5111  26.734  11.210  -5.952263      14.70139  
1 1 1 -13 57  28 o 26.050  9.7841  458.195    374.186  592.680    502.226  290.394    560.995  28.462  11.167  24.938  10.913  3.523516       15.61388  
1 1 1 -13 57  29 o 18.968  9.0941  -364.9008  536.926  0.0000     0.0000   -364.9008  536.926  ?       ?       18.968  9.0941  0.000000       9.094090  
1 1 1 -13 58  1  f 194.715 3.8559  20581.92   813.186  20697.38   1150.31  20466.57   1149.72  195.027 5.4457  193.932 5.4736  1.095276       7.721143  
1 1 1 -13 58  2  o 93.650  2.7596  4755.52    279.919  4541.79    394.788  4971.61    396.952  91.460  3.9853  95.700  3.8296  -4.239441      5.527101  
1 1 1 -13 58  3  o 125.665 3.0382  8565.21    413.520  8020.59    582.109  9120.05    587.540  121.500 4.4234  129.583 4.1862  -8.082245      6.090225  
1 1 1 -13 58  4  o 270.208 4.8900  39702.45   1431.13  37898.60   2022.65  41510.82   2025.18  263.405 7.0897  275.773 6.7802  -12.36816      9.809952  
1 1 1 -13 58  5  o 252.924 4.9495  34796.09   1355.89  34755.77   1795.38  34849.60   2068.54  252.356 6.5686  252.379 7.5673  -0.2252197E-01 10.02049  
1 1 1 -13 58  6  o 164.929 3.6000  14767.48   643.094  14461.77   869.461  15136.74   955.568  163.038 4.9237  166.740 5.2912  -3.701935      7.227676  
1 1 1 -13 58  7  o 149.635 3.3691  12153.70   546.036  12114.04   745.602  12199.57   801.889  149.240 4.6127  149.717 4.9451  -0.4776611     6.762435  
1 1 1 -13 58  8  o 49.256  2.3116  1315.47    123.325  1724.84    346.619  1256.14    131.960  55.931  5.8064  48.060  2.5441  7.871365       6.339305  
1 1 1 -13 58  9  o 115.277 2.9730  7212.33    371.202  6876.76    524.423  7549.28    525.495  112.428 4.3066  117.821 4.1179  -5.392426      5.958546  
1 1 1 -13 58  10 o 121.649 3.0087  8034.09    396.422  7598.37    559.742  8472.58    561.511  118.140 4.3744  124.784 4.1546  -6.643265      6.032931  
1 1 1 -13 58  11 o 57.290  2.3265  1780.42    144.364  1828.84    299.435  1765.76    164.779  57.708  4.8353  57.039  2.6672  0.6686478      5.522115  
1 1 1 -13 58  12 o 32.037  4.7161  571.737    158.753  597.022    220.405  544.476    228.854  32.414  6.5042  30.856  7.0075  1.557684       9.560861  
1 1 1 -13 58  13 o 20.729  6.1955  238.758    149.818  205.918    206.437  275.302    217.765  20.687  7.3434  22.829  7.5604  -2.141743      10.53973  
1 1 1 -13 58  14 o 51.087  4.0123  1431.23    220.223  1502.29    333.843  1376.49    293.021  51.949  6.0464  49.813  5.5241  2.135914       8.189950  
1 1 1 -13 58  15 o 24.325  6.3800  338.255    170.173  300.504    248.768  371.458    233.298  23.932  8.0831  25.698  7.7428  -1.766176      11.19315  
1 1 1 -13 58  16 o 41.595  4.5233  957.555    200.501  730.352    290.199  1165.07    277.341  35.531  7.7582  45.662  5.7343  -10.13026      9.647362  
1 1 1 -13 58  17 o 58.659  3.7573  1885.80    237.460  1803.25    339.838  1964.56    331.938  56.945  5.5817  59.559  5.1977  -2.614067      7.627009  
1 1 1 -13 58  18 o 57.757  3.9035  1832.45    242.756  1963.77    341.685  1698.60    344.955  59.438  5.3653  55.103  5.8702  4.334995       7.952753  
1 1 1 -13 58  19 o 47.903  4.4676  1271.49    229.122  1107.63    327.900  1427.84    320.288  43.903  7.1412  50.357  5.9898  -6.454395      9.320633  
1 1 1 -13 58  20 o 66.483  3.7697  2429.68    270.335  2460.81    386.252  2399.78    378.488  66.392  5.4186  65.574  5.3764  0.8180542      7.633272  
1 1 1 -13 58  21 o 95.085  3.4123  4949.63    351.425  4910.74    511.736  4984.34    483.449  93.985  5.0455  94.959  4.7005  -0.9732819     6.895822  
1 1 1 -13 58  22 f 66.059  3.9981  2412.58    284.715  2201.87    427.762  2580.17    381.493  62.085  6.4557  67.839  5.2325  -5.753952      8.309932  
1 1 1 -13 58  23 o 32.230  7.1778  622.627    244.139  484.802    377.799  721.450    319.908  28.616  9.9519  34.163  8.6399  -5.547184      13.17909  
1 1 1 -13 58  24 o 16.931  7.2976  20.952     243.123  -48.3504   444.892  50.461     290.305  21.032  9.4311  18.721  8.0200  2.311111       12.38010  
1 1 1 -13 58  25 o 32.340  1.7551  571.658    61.247   857.444    482.733  566.983    61.746   34.801  11.241  32.203  1.7771  2.597618       11.38083  
1 1 1 -13 58  26 o 33.236  9.4315  748.716    355.262  572.500    497.317  932.349    507.675  29.237  11.210  35.456  11.534  -6.219685      16.08393  
1 1 1 -13 58  27 o 19.133  8.4892  20.771     350.650  792.396    476.922  -887.1315  517.326  32.411  11.187  16.065  7.9554  16.34683       13.72691  
1 1 1 -13 58  28 o 26.978  2.1031  401.680    60.969   397.059    61.332   789.030    561.540  26.815  2.1292  31.188  11.922  -4.372210      12.11099  
1 1 1 -13 59  1  o 102.304 2.8236  5675.97    312.872  5780.69    442.009  5570.81    442.927  103.173 3.9555  101.276 4.0379  1.896179       5.652443  
1 1 1 -13 59  2  o 47.420  2.9346  1224.28    149.984  1231.65    210.840  1216.74    213.401  47.437  4.1452  47.137  4.2247  0.2997208      5.918661  
1 1 1 -13 59  3  o 168.615 3.5186  15431.55   642.589  15026.35   906.845  15840.19   910.683  166.190 5.0380  170.648 4.9271  -4.458267      7.046851  
1 1 1 -13 59  4  o 94.064  2.7624  4798.54    281.441  4130.58    412.220  5381.77    385.190  87.068  4.3853  99.569  3.5718  -12.50070      5.655787  
1 1 1 -13 59  5  o 126.235 3.0853  8645.83    421.844  8254.06    592.483  9048.61    600.758  123.219 4.4394  129.029 4.2987  -5.809822      6.179626  
1 1 1 -13 59  6  o 81.961  2.7525  3643.68    244.348  3676.81    342.531  3609.36    348.671  82.272  3.8440  81.506  3.9496  0.7650528      5.511393  
1 1 1 -13 59  7  o 160.847 3.4318  14047.95   597.869  14379.70   844.481  13714.57   846.552  162.531 4.7972  158.706 4.9248  3.825424       6.875072  
1 1 1 -13 59  8  f 32.047  1.7398  558.224    60.161   600.903    286.267  556.252    61.535   32.424  8.1583  31.987  1.7832  0.4367409      8.350937  
1 1 1 -13 59  9  o 56.761  3.0687  1754.26    187.954  1796.80    258.199  1706.30    274.130  57.315  4.1882  55.791  4.5768  1.524506       6.203931  
1 1 1 -13 59  10 o 34.110  3.9532  641.373    143.340  503.392    197.899  793.649    207.899  29.760  6.3340  37.781  5.2199  -8.021267      8.207716  
1 1 1 -13 59  11 o 47.622  2.1512  1230.02    110.958  1337.52    239.727  1200.71    125.173  49.328  4.5378  46.976  2.4688  2.352486       5.165950  
1 1 1 -13 59  12 o 108.255 3.0201  6367.14    354.113  6464.68    502.140  6270.64    499.455  108.908 4.2569  107.254 4.2995  1.653809       6.050351  
1 1 1 -13 59  13 o 108.042 3.0324  6343.94    354.852  6455.81    504.299  6234.22    499.410  108.800 4.2795  106.911 4.3129  1.889404       6.075733  
1 1 1 -13 59  14 o 118.780 3.1273  7672.67    402.328  7652.78    573.359  7691.96    564.696  118.368 4.4722  118.688 4.3927  -0.3204346     6.268721  
1 1 1 -13 59  15 o 168.865 3.5606  15537.23   651.223  15571.09   925.710  15504.05   916.299  168.521 5.0717  168.175 5.0304  0.3464508      7.143323  
1 1 1 -13 59  16 o 83.909  3.1666  3833.12    287.787  4123.79    431.309  3599.86    386.373  86.658  4.6119  80.996  4.4210  5.661346       6.388605  
1 1 1 -13 59  17 o 80.936  3.2999  3570.52    289.272  3537.29    430.786  3597.81    390.377  80.078  4.9917  80.907  4.4721  -0.8293762     6.701983  
1 1 1 -13 59  18 o 52.250  4.1351  1504.53    232.105  1680.45    342.879  1355.74    315.339  54.780  5.8703  49.087  6.0598  5.693451       8.436961  
1 1 1 -13 59  19 o 63.044  3.6667  2181.65    249.290  2378.47    357.957  1996.29    347.380  65.440  5.0903  59.817  5.4206  5.622997       7.436038  
1 1 1 -13 59  20 o 121.364 3.3840  8056.30    444.829  8125.25    621.429  7983.84    637.027  121.311 4.7295  120.170 4.8943  1.141823       6.806106  
1 1 1 -13 59  21 o 45.235  5.3728  1153.21    258.091  1120.36    368.885  1184.71    361.228  43.545  8.1200  44.990  7.6893  -1.444462      11.18301  
1 1 1 -13 59  22 o 33.747  7.0261  672.625    248.470  678.311    364.826  667.707    339.336  33.175  9.6031  32.996  9.1668  0.1786766      13.27588  
1 1 1 -13 59  23 o 23.657  8.0545  319.977    247.031  486.237    368.253  183.948    333.095  28.432  9.8289  22.143  8.9573  6.289154       13.29811  
1 1 1 -13 59  24 o 19.292  7.8207  135.989    254.502  385.506    445.246  14.906     310.166  26.643  10.495  18.635  8.1353  8.008553       13.27901  
1 1 1 -13 59  25 o 17.363  1.6798  165.738    31.195   -45.2034   461.340  166.707    31.267   21.096  9.5192  17.414  1.6785  3.681757       9.666056  
1 1 1 -13 59  26 o 27.154  9.9129  478.923    379.295  416.254    488.923  573.647    601.095  26.743  10.840  29.491  11.996  -2.748707      16.16795  
1 1 1 -13 59  27 o 21.608  9.0512  194.780    355.984  -114.0098  487.141  548.646    521.486  20.317  9.3961  28.231  11.282  -7.914011      14.68236  
1 1 1 -13 59  28 o 20.981  9.0006  154.654    366.547  310.992    491.954  -40.4484   549.571  24.540  10.475  21.683  10.011  2.857033       14.48938  
1 1 1 -13 60  1  o 233.592 4.6835  29675.69   1184.94  30247.44   1801.28  29239.50   1573.30  235.194 7.0711  231.479 6.2752  3.715393       9.454012  
1 1 1 -13 60  2  f 128.583 3.0673  8970.16    427.174  9098.03    594.311  8833.48    614.422  129.388 4.2408  127.471 4.4503  1.917496       6.147303  
1 1 1 -13 60  3  o 90.022  2.8112  4395.54    274.096  4321.23    383.824  4472.88    391.554  89.188  3.9733  90.739  3.9841  -1.550682      5.626752  
1 1 1 -13 60  4  o 78.049  2.7119  3303.87    229.251  3249.94    320.268  3360.54    328.301  77.352  3.8227  78.655  3.8537  -1.303246      5.428102  
1 1 1 -13 60  5  o 284.870 5.1251  44195.36   1581.31  41964.90   2234.81  46431.80   2237.80  276.722 7.4563  291.241 7.0941  -14.51834      10.29194  
1 1 1 -13 60  6  o 172.867 3.5057  16228.74   656.382  15637.38   925.908  16826.16   930.638  169.435 5.0454  175.788 4.8879  -6.353638      7.024771  
1 1 1 -13 60  7  o 160.721 3.3533  14027.58   583.737  13848.84   824.173  14207.51   826.891  159.469 4.7717  161.530 4.7264  -2.060333      6.716202  
1 1 1 -13 60  8  o 47.092  4.7810  1220.46    240.476  1372.26    333.231  1055.51    347.378  49.686  6.3364  43.188  7.7091  6.497822       9.978989  
1 1 1 -13 60  9  o 66.581  2.5055  2405.12    180.682  2817.70    307.897  2188.42    223.142  71.859  3.9714  63.388  3.2612  8.471397       5.138799  
1 1 1 -13 60  10 o 48.712  3.3103  1295.34    173.615  1141.26    249.452  1440.09    241.785  45.432  5.1610  51.226  4.4005  -5.794792      6.782355  
1 1 1 -13 60  11 o 54.028  2.0966  1583.17    122.687  1305.46    246.776  1674.34    141.399  48.686  4.7400  55.551  2.3501  -6.865349      5.290586  
1 1 1 -13 60  12 o 108.141 3.0281  6354.57    354.679  6117.12    501.225  6592.71    501.958  105.908 4.3695  109.975 4.2141  -4.066910      6.070533  
1 1 1 -13 60  13 o 146.911 3.3207  11740.60   528.390  11287.63   748.381  12190.84   746.137  143.698 4.8084  149.393 4.6113  -5.694427      6.662175  
1 1 1 -13 60  14 o 28.087  5.8591  449.536    172.473  440.321    257.153  457.070    232.530  27.798  8.0669  28.196  7.4880  -0.3980846     11.00663  
1 1 1 -13 60  15 o 48.791  3.9162  1307.20    205.212  1258.40    286.957  1358.29    293.583  47.500  5.6909  49.399  5.5852  -1.898529      7.973807  
1 1 1 -13 60  16 o 16.319  6.4158  87.764     166.085  84.431     248.845  90.442     223.030  18.905  7.7070  18.240  7.3466  0.6646881      10.64761  
1 1 1 -13 60  17 o 17.932  6.6528  141.316    171.963  334.662    260.228  -8.5639    229.117  24.849  8.2665  16.487  7.0955  8.361633       10.89406  
1 1 1 -13 60  18 o 69.327  3.4407  2624.69    258.354  2362.54    378.138  2854.20    353.810  65.167  5.4062  71.929  4.5651  -6.762077      7.075814  
1 1 1 -13 60  19 o 18.888  7.0063  160.771    190.713  612.768    272.265  -274.6432  267.224  32.243  7.8662  14.225  6.7017  18.01799       10.33394  
1 1 1 -13 60  20 f 26.525  7.2451  411.991    214.030  380.175    308.810  441.401    296.908  26.292  9.0053  27.656  8.8037  -1.363783      12.59366  
1 1 1 -13 60  21 o 94.187  3.4322  4861.06    350.132  5024.92    506.774  4711.39    484.313  95.050  4.9396  92.061  4.8745  2.988785       6.939759  
1 1 1 -13 60  22 o 26.654  7.6795  423.776    233.796  559.716    358.137  322.820    308.633  30.340  9.6701  24.676  8.9521  5.664230       13.17767  
1 1 1 -13 60  23 f 20.156  7.7625  184.690    239.184  551.868    381.284  -53.5578   307.132  29.699  10.007  17.783  7.9147  11.91623       12.75872  
1 1 1 -13 60  24 f 16.903  7.3579  7.4613     252.068  220.105    438.987  -97.1360   307.883  24.036  10.058  17.057  7.7291  6.979387       12.68494  
1 1 1 -13 60  25 f 21.271  8.1422  232.198    262.116  849.844    460.472  -63.8674   318.807  34.641  10.957  17.647  7.9427  16.99320       13.53303  
1 1 1 -13 60  26 o 83.080  5.2783  4008.95    472.501  4466.28    663.163  3537.41    673.391  85.228  7.2530  74.158  8.5397  11.07011       11.20415  
1 1 1 -13 60  27 o 48.641  7.5486  1501.22    384.800  1497.10    542.284  1505.41    546.115  44.626  11.229  44.689  11.281  -0.6247330E-01 15.91702  
1 1 1 -13 60  28 o 20.843  8.9361  151.438    360.933  153.112    495.283  149.543    527.073  22.763  10.095  23.113  10.322  -0.3502903     14.43757  
1 1 1 -13 61  1  o 120.828 2.9173  7920.75    381.789  7753.57    539.453  8088.52    540.411  119.433 4.1702  121.994 4.0899  -2.561096      5.841076  
1 1 1 -13 61  2  o 38.282  3.1975  800.921    131.367  768.703    181.876  836.062    189.948  37.313  4.5976  38.937  4.5924  -1.624340      6.498260  
1 1 1 -13 61  3  o 214.527 4.0158  25011.07   933.097  23888.24   1318.15  26138.87   1321.06  209.254 5.8159  218.956 5.5705  -9.701920      8.053303  
1 1 1 -13 61  4  o 69.624  2.7640  2629.67    208.432  2490.82    293.299  2771.34    296.260  67.577  4.0255  71.314  3.8498  -3.737129      5.570051  
1 1 1 -13 61  5  o 194.393 3.7635  20532.99   792.395  19836.31   1117.42  21237.70   1123.84  190.728 5.4092  197.388 5.2567  -6.659897      7.542695  
1 1 1 -13 61  6  o 108.504 2.8843  6388.99    338.966  6347.31    477.800  6431.22    480.958  108.038 4.0832  108.750 4.0833  -0.7117691     5.774565  
1 1 1 -13 61  7  o 69.933  2.7638  2653.93    209.340  2553.27    296.985  2753.33    295.128  68.399  4.0266  71.060  3.8489  -2.661003      5.570225  
1 1 1 -13 61  8  o 55.434  4.7775  1687.23    284.045  1789.42    429.270  1607.64    378.842  56.639  7.1573  53.752  6.6490  2.886837       9.769176  
1 1 1 -13 61  9  f 155.419 3.4297  13128.62   577.333  13591.76   787.000  12588.98   849.523  157.909 4.6015  151.844 5.1654  6.064667       6.917765  
1 1 1 -13 61  10 o 93.820  2.9034  4780.22    295.038  4851.09    415.294  4708.00    419.227  94.386  4.0623  92.971  4.1632  1.415260       5.816806  
1 1 1 -13 61  11 o 46.890  2.3677  1196.09    119.858  1607.36    258.737  1083.72    135.245  54.109  4.4545  44.583  2.8153  9.525871       5.269557  
1 1 1 -13 61  12 o 94.906  3.0125  4895.02    309.668  4721.25    436.921  5070.42    438.960  93.032  4.3361  96.432  4.2028  -3.399933      6.038623  
1 1 1 -13 61  13 o 125.858 3.1177  8613.97    425.000  8361.52    602.510  8863.97    599.582  123.723 4.4962  127.422 4.3444  -3.699379      6.252177  
1 1 1 -13 61  14 o 31.648  5.3185  564.097    175.840  448.955    262.427  657.914    236.881  28.044  8.1524  33.936  6.6825  -5.891851      10.54122  
1 1 1 -13 61  15 o 86.149  3.0374  4038.41    283.418  4222.98    406.500  3863.82    395.359  87.892  4.2701  83.944  4.3635  3.947662       6.105227  
1 1 1 -13 61  16 o 68.945  3.2755  2590.18    244.598  2830.61    357.463  2378.50    335.416  71.710  4.6270  65.681  4.7469  6.029465       6.628932  
1 1 1 -13 61  17 o 41.524  4.6750  958.399    206.599  759.393    299.714  1138.57    285.179  36.075  7.8902  44.960  6.0065  -8.884693      9.916313  
1 1 1 -13 61  18 o 40.331  4.9740  909.592    212.674  679.832    303.664  1130.79    297.949  33.935  8.3248  44.638  6.3410  -10.70310      10.46468  
1 1 1 -13 61  19 o 38.071  2.3034  791.212    94.531   1227.13    322.403  750.210    98.877   46.356  6.6083  37.043  2.4787  9.313057       7.057875  
1 1 1 -13 61  20 o 66.500  3.6423  2430.79    261.343  2726.14    377.666  2159.39    362.020  69.986  5.0155  62.098  5.4373  7.888477       7.397280  
1 1 1 -13 61  21 o 125.662 3.4103  8657.58    464.158  8325.44    666.461  8970.42    646.816  122.352 5.0292  127.218 4.6942  -4.866081      6.879545  
1 1 1 -13 61  22 o 22.949  7.8913  292.953    237.221  196.790    375.087  357.058    306.247  23.310  9.4780  25.296  8.9479  -1.985991      13.03451  
1 1 1 -13 61  23 o 53.583  4.6999  1625.20    270.004  1618.71    410.014  1630.16    358.781  51.808  7.5270  52.712  6.4165  -0.9038849     9.890826  
1 1 1 -13 61  24 o 18.941  7.6352  136.049    241.108  -2.7898    374.278  234.537    315.231  19.876  8.7970  22.305  8.8167  -2.429136      12.45476  
1 1 1 -13 61  25 o 22.061  8.2275  268.696    263.686  261.257    459.684  272.345    321.915  24.538  10.282  22.897  8.9528  1.641470       13.63370  
1 1 1 -13 61  26 o 41.330  9.0969  1144.73    396.183  1132.79    511.657  1162.61    626.076  38.795  11.414  37.669  12.823  1.125980       17.16666  
1 1 1 -13 61  27 o 43.153  2.4556  1028.88    114.301  1017.46    117.049  1263.58    530.650  42.886  2.5311  40.213  11.565  2.673111       11.83853  
1 1 1 -13 61  28 o 20.938  8.9420  159.490    358.884  66.757     490.208  266.604    526.847  21.822  9.8328  24.359  10.620  -2.537540      14.47272  
1 1 1 -13 62  1  o 90.546  2.7290  4447.72    267.638  4538.85    378.101  4356.19    378.896  91.392  3.8197  89.527  3.9075  1.864960       5.464283  
1 1 1 -13 62  2  o 20.979  4.6703  248.982    103.393  314.394    145.321  181.926    147.135  23.538  5.7495  18.732  6.2151  4.806555       8.466665  
1 1 1 -13 62  3  o 123.551 3.0383  8284.99    406.585  7979.48    580.047  8580.09    570.078  121.102 4.4222  125.607 4.1904  -4.504875      6.092222  
1 1 1 -13 62  4  o 96.339  2.6656  5035.00    278.145  4795.33    408.894  5241.42    379.465  93.913  4.0199  98.226  3.5668  -4.312447      5.374135  
1 1 1 -13 62  5  o 170.708 3.6647  15835.77   677.573  15711.76   914.994  15986.35   1008.25  169.792 4.9754  171.165 5.4385  -1.372147      7.371059  
1 1 1 -13 62  6  o 113.222 2.9153  6958.32    357.504  7533.50    511.567  6409.27    499.812  117.688 4.0133  108.523 4.2522  9.164940       5.847038  
1 1 1 -13 62  7  o 52.929  3.2334  1527.35    184.473  1593.07    261.698  1462.44    260.079  53.892  4.5253  51.592  4.7061  2.300137       6.528801  
1 1 1 -13 62  8  o 214.953 5.1377  25223.77   1196.13  26013.51   1531.64  23989.15   1915.06  217.773 6.4936  208.190 8.4928  9.582520       10.69085  
1 1 1 -13 62  9  o 171.761 3.5555  16042.78   661.448  16297.02   932.734  15785.57   938.148  172.773 4.9844  170.010 5.0948  2.763336       7.127487  
1 1 1 -13 62  10 o 100.373 2.9175  5472.26    317.180  5083.70    441.869  5885.27    455.565  96.587  4.2238  103.950 4.0463  -7.362595      5.849193  
1 1 1 -13 62  11 o 28.450  5.1165  455.789    151.866  490.645    211.332  418.568    218.384  29.277  6.7954  27.074  7.2866  2.202990       9.963494  
1 1 1 -13 62  12 o 40.234  4.2572  892.795    182.699  1007.67    253.014  767.639    264.094  42.505  5.6348  36.727  6.8922  5.777702       8.902408  
1 1 1 -13 62  13 o 41.045  4.1497  928.653    181.945  749.799    245.652  1146.00    270.799  36.348  6.4772  45.342  5.6356  -8.994022      8.585700  
1 1 1 -13 62  14 f 74.599  3.1673  3028.57    255.913  2977.48    373.524  3073.76    351.327  73.603  4.7102  74.868  4.3514  -1.264565      6.412473  
1 1 1 -13 62  15 o 60.677  3.4089  2012.54    223.122  2009.50    327.095  2015.19    305.132  60.298  5.0551  60.467  4.6959  -0.1692657     6.899689  
1 1 1 -13 62  16 o 126.952 3.1579  8780.81    434.216  8470.30    629.512  9062.61    599.718  124.242 4.6781  128.641 4.3042  -4.399895      6.356945  
1 1 1 -13 62  17 o ?       ?       -168.0221  26.355   -187.7036  248.666  -167.7985  26.504   14.558  6.7258  ?       ?       0.000000       6.725807  
1 1 1 -13 62  18 o 20.595  6.8973  226.473    181.116  305.746    277.766  167.841    238.883  24.264  8.5279  20.277  7.7703  3.987549       11.53697  
1 1 1 -13 62  19 o 109.487 3.1048  6545.51    368.184  6760.94    544.599  6364.15    499.678  110.759 4.5397  107.560 4.2891  3.198898       6.245461  
1 1 1 -13 62  20 o 41.683  5.0028  975.800    221.351  989.741    319.484  962.931    306.966  41.148  7.4426  40.652  7.2370  0.4959183      10.38106  
1 1 1 -13 62  21 o 62.651  4.1164  2175.05    277.776  2146.60    427.076  2195.92    365.697  61.201  6.5442  62.421  5.4641  -1.219799      8.525410  
1 1 1 -13 62  22 f 73.197  3.8127  2970.27    301.224  2819.24    448.998  3093.88    406.201  70.146  5.9664  74.045  5.0960  -3.898430      7.846500  
1 1 1 -13 62  23 o 43.272  5.6110  1086.76    256.786  1023.52    390.945  1134.75    340.549  39.845  9.2386  43.124  7.5671  -3.278919      11.94209  
1 1 1 -13 62  24 o 23.960  8.0346  346.749    245.774  402.212    384.158  308.317    319.783  26.206  9.8984  23.763  9.0178  2.442141       13.39021  
1 1 1 -13 62  25 o 12.214  2.6448  85.151     33.976   83.879     34.059   343.275    485.236  12.118  2.6673  25.868  10.678  -13.75053      11.00653  
1 1 1 -13 62  26 o 19.012  8.3802  30.686     336.247  134.666    465.544  -82.7169   486.178  22.604  9.9150  20.719  9.5110  1.885921       13.73923  
1 1 1 -13 62  27 o 19.897  8.6022  103.362    339.875  -13.0532   473.402  227.196    488.254  20.897  9.5139  23.657  10.269  -2.759190      13.99867  
1 1 1 -13 63  1  o 43.613  2.0536  1031.22    97.007   1147.16    208.162  999.052    109.640  45.725  4.2519  42.855  2.3713  2.869644       4.868485  
1 1 1 -13 63  2  o 202.444 3.9526  22283.69   866.669  22342.22   1227.67  22225.54   1223.66  202.302 5.6028  201.774 5.5992  0.5279083      7.921014  
1 1 1 -13 63  3  o 132.014 3.0150  9460.38    431.101  8977.44    619.150  9914.83    600.610  128.421 4.4513  135.010 4.1073  -6.589798      6.056748  
1 1 1 -13 63  4  o 116.749 3.3718  7404.14    426.374  7547.14    520.719  7113.20    742.746  117.788 4.0816  113.894 6.0426  3.893723       7.291958  
1 1 1 -13 63  5  o 28.483  5.2689  456.604    156.560  411.577    181.902  585.275    307.497  26.886  6.3482  32.007  8.6599  -5.120649      10.73751  
1 1 1 -13 63  6  o 66.455  2.9179  2397.53    210.025  2537.58    310.460  2279.36    285.187  68.147  4.2271  64.591  4.0977  3.555817       5.887245  
1 1 1 -13 63  7  o 85.520  2.6321  3969.08    243.803  3927.93    381.556  3997.47    316.943  84.942  4.1473  85.763  3.4120  -0.8211212     5.370462  
1 1 1 -13 63  8  o 86.148  3.3600  4033.86    313.515  3895.97    375.941  4348.75    568.124  84.587  4.1034  88.914  5.9334  -4.326309      7.214119  
1 1 1 -13 63  9  o 129.042 3.1200  9048.05    436.076  8675.55    612.589  9430.74    620.906  126.134 4.4840  131.534 4.3583  -5.400307      6.253092  
1 1 1 -13 63  10 o 88.375  2.9008  4242.54    277.667  4252.71    382.484  4231.21    403.737  88.360  3.9966  88.105  4.2308  0.2544708      5.820035  
1 1 1 -13 63  11 o 31.352  4.7435  548.828    156.046  453.053    218.215  649.060    223.234  28.107  7.1507  33.828  6.3253  -5.720869      9.546815  
1 1 1 -13 63  12 o 16.085  6.1501  98.561     149.441  152.960    214.261  47.029     208.539  19.475  7.3836  16.899  6.9902  2.575867       10.16762  
1 1 1 -13 63  13 o 54.335  3.4737  1614.37    203.357  1705.27    276.969  1508.05    299.535  55.646  4.6377  52.149  5.3804  3.496330       7.103282  
1 1 1 -13 63  14 o 113.203 3.0714  6973.45    376.582  6861.88    532.217  7085.32    532.918  112.014 4.3868  113.839 4.3221  -1.825348      6.158307  
1 1 1 -13 63  15 o 95.937  3.1019  5011.70    322.318  5170.11    455.463  4852.77    456.191  97.191  4.3267  94.127  4.4747  3.064537       6.224386  
1 1 1 -13 63  16 o 23.969  6.6498  329.552    178.700  311.712    272.094  343.083    236.970  24.431  8.4485  24.802  7.8619  -0.3711605     11.54067  
1 1 1 -13 63  17 o 49.102  2.2096  1310.22    117.512  809.773    324.679  1385.66    126.059  37.103  8.2883  50.488  2.3052  -13.38475      8.602912  
1 1 1 -13 63  18 o 36.383  5.0679  744.651    194.286  854.138    291.360  656.988    260.710  38.345  7.2816  33.506  7.3832  4.839668       10.36983  
1 1 1 -13 63  19 o 28.012  1.3756  425.650    41.735   275.747    288.401  428.856    42.179   23.649  8.6423  28.117  1.3850  -4.468191      8.752603  
1 1 1 -13 63  20 o 22.618  7.2971  287.417    203.461  397.062    306.982  201.521    271.710  26.561  8.9791  21.611  8.2857  4.949823       12.21792  
1 1 1 -13 63  21 o 47.236  4.7942  1253.69    241.879  1347.99    372.061  1184.65    318.326  47.867  7.4163  45.140  6.7155  2.727112       10.00495  
1 1 1 -13 63  22 o 39.700  6.0068  918.521    250.217  789.906    375.383  1021.35    335.660  35.075  9.6009  40.958  7.8522  -5.882942      12.40300  
1 1 1 -13 63  23 o 19.032  7.5945  143.589    235.943  288.137    363.514  38.365     310.151  24.089  9.4849  18.991  8.2139  5.097515       12.54722  
1 1 1 -13 63  24 o 56.724  4.6421  1830.63    282.700  1594.42    431.956  2007.61    373.897  50.488  8.1789  58.518  5.9834  -8.029816      10.13386  
1 1 1 -13 63  25 o 80.954  5.5308  3818.87    482.047  3538.61    636.751  4195.13    737.789  75.202  7.9375  81.108  8.5260  -5.906395      11.64892  
1 1 1 -13 63  26 o 33.974  9.3719  798.178    356.072  867.525    493.850  723.095    513.869  33.725  11.389  31.079  11.506  2.646231       16.18945  
1 1 1 -13 63  27 o 55.576  6.7955  1906.72    400.529  2019.83    560.434  1788.63    572.629  53.669  10.009  49.168  11.025  4.501293       14.89084  
1 1 1 -13 64  1  o 78.380  2.7196  3333.80    230.878  3466.66    331.390  3208.49    321.842  79.845  3.8319  76.713  3.8862  3.132210       5.457658  
1 1 1 -13 64  2  o 26.585  4.1910  393.865    116.679  280.973    168.216  498.540    161.977  22.427  6.5292  29.804  5.2073  -7.376865      8.351365  
1 1 1 -13 64  3  o 96.653  2.7855  5070.15    291.603  5342.81    419.654  4815.59    405.488  99.113  3.9092  94.089  3.9790  5.024460       5.578008  
1 1 1 -13 64  4  o 44.019  3.2387  1058.18    153.329  828.414    223.058  1263.99    211.114  38.567  5.4953  48.023  4.0980  -9.456097      6.855050  
1 1 1 -13 64  5  o 111.136 2.9624  6706.22    356.592  6730.28    498.535  6681.01    510.265  111.197 4.1393  110.774 4.2529  0.4233475      5.934777  
1 1 1 -13 64  6  o 54.154  3.0136  1597.53    176.059  1675.59    251.191  1522.14    246.836  55.313  4.2248  52.683  4.3651  2.629669       6.074790  
1 1 1 -13 64  7  o 45.462  4.3965  1136.62    213.783  1117.47    399.249  1144.32    253.130  44.173  8.6544  45.474  5.2349  -1.301029      10.11449  
1 1 1 -13 64  8  o 72.147  3.4585  2830.35    270.253  2739.00    322.529  3045.66    495.153  70.778  4.2266  74.256  6.2137  -3.477943      7.514886  
1 1 1 -13 64  9  o 106.686 2.9667  6183.36    342.812  6210.04    480.317  6155.65    489.431  106.755 4.1540  106.271 4.2521  0.4841309      5.944451  
1 1 1 -13 64  10 o 102.019 2.9556  5655.44    326.589  5627.16    456.142  5685.18    467.812  101.599 4.1451  102.108 4.2300  -0.5085068     5.922429  
1 1 1 -13 64  11 o 73.750  2.9791  2956.50    237.968  2859.50    334.235  3056.22    338.888  72.263  4.2896  74.731  4.2039  -2.468254      6.006110  
1 1 1 -13 64  12 o 88.035  3.0371  4214.78    289.592  3920.83    421.450  4477.71    398.596  84.554  4.6194  90.589  4.0624  -6.034828      6.151611  
1 1 1 -13 64  13 o 59.500  3.2166  1932.45    206.521  1774.45    289.471  2096.24    294.730  56.736  4.7544  61.765  4.4352  -5.028534      6.501990  
1 1 1 -13 64  14 o 84.748  2.9938  3908.18    274.805  3818.36    392.233  3994.76    385.132  83.438  4.3553  85.493  4.1592  -2.055626      6.022255  
1 1 1 -13 64  15 o 37.716  4.7342  792.359    189.135  658.129    283.499  900.020    253.896  33.596  7.9202  39.909  6.0646  -6.313290      9.975396  
1 1 1 -13 64  16 o 56.687  3.5410  1761.49    216.321  1790.38    311.737  1734.65    300.424  56.783  5.1239  55.915  5.0139  0.8679962      7.168935  
1 1 1 -13 64  17 o 4.5841  2.1360  -24.4745   25.908   436.398    242.922  -29.7768   26.056   27.403  7.8069  4.4195  2.0854  22.98320       8.080654  
1 1 1 -13 64  18 o 39.661  4.8994  881.081    205.990  871.736    319.654  887.717    269.384  38.504  7.9288  39.321  6.5560  -0.8167419     10.28826  
1 1 1 -13 64  19 o 74.374  2.8035  3016.76    225.839  3293.17    417.801  2902.66    268.435  76.954  5.0405  72.834  3.4028  4.120430       6.081595  
1 1 1 -13 64  20 o 42.625  5.0674  1023.67    229.365  1199.10    359.722  903.477    297.741  45.174  7.6233  39.224  7.2763  5.950489       10.53848  
1 1 1 -13 64  21 o 25.200  7.5015  377.558    219.964  280.105    344.162  444.857    286.003  24.224  9.3162  27.250  8.6370  -3.026091      12.70390  
1 1 1 -13 64  22 o 40.155  5.9922  942.703    252.638  1176.68    400.828  788.488    325.414  43.250  8.8547  35.381  8.5802  7.869446       12.32983  
1 1 1 -13 64  23 o 38.026  6.3974  861.522    254.132  780.080    387.167  923.173    336.856  34.243  9.8872  38.244  8.3651  -4.001114      12.95110  
1 1 1 -13 64  24 o 30.856  2.7152  527.541    89.819   965.612    474.839  511.285    91.470   36.883  11.031  30.347  2.8149  6.535217       11.38474  
1 1 1 -13 64  25 o 35.995  9.0827  868.639    354.097  925.653    487.875  805.172    514.742  35.357  11.288  32.923  11.605  2.433792       16.18998  
1 1 1 -13 64  26 o 33.747  9.4270  793.352    357.839  1309.65    494.558  226.066    518.405  42.276  10.770  24.175  10.537  18.10091       15.06738  
1 1 1 -13 64  27 o 60.820  6.3434  2246.07    411.722  2125.17    576.396  2372.03    588.313  55.038  10.039  58.798  9.5668  -3.760399      13.86746  
1 1 1 -13 65  1  o 115.257 2.9733  7212.98    371.180  6988.78    518.739  7448.19    531.343  113.301 4.2271  116.970 4.1940  -3.669472      5.954679  
1 1 1 -13 65  2  o 121.226 2.9068  7978.48    381.667  8269.01    534.996  7677.36    544.652  123.275 4.0069  118.750 4.2346  4.524956       5.829857  
1 1 1 -13 65  3  o 60.042  2.9446  1957.41    191.492  1773.03    270.000  2144.01    271.629  56.884  4.4170  62.641  4.0249  -5.757244      5.975729  
1 1 1 -13 65  4  o 155.674 3.3110  13168.36   558.271  13310.97   787.278  13024.11   791.771  156.260 4.6517  154.549 4.7300  1.710236       6.634095  
1 1 1 -13 65  5  o 230.788 4.2530  29009.77   1063.10  28838.68   1501.57  29181.72   1505.34  229.443 6.0423  230.812 6.0215  -1.369629      8.530413  
1 1 1 -13 65  6  f 172.684 3.4728  16212.93   649.531  16814.24   919.096  15612.99   918.055  175.533 4.8343  169.098 5.0126  6.434723       6.963900  
1 1 1 -13 65  7  f 119.738 3.5573  7797.81    461.338  8668.33    814.539  7386.67    559.779  125.754 5.9803  116.400 4.4401  9.353729       7.448380  
1 1 1 -13 65  8  o 160.347 3.5456  13986.19   615.767  13785.85   837.274  14222.19   908.764  158.883 4.8654  161.281 5.2023  -2.398438      7.122961  
1 1 1 -13 65  9  o 129.223 3.5961  9087.53    503.322  8980.54    611.116  9313.15    887.449  128.305 4.3976  130.163 6.2949  -1.857834      7.678794  
1 1 1 -13 65  10 o 56.106  2.1993  1708.09    133.647  1451.83    270.534  1790.82    153.714  51.294  4.9302  57.434  2.4710  -6.139484      5.514820  
1 1 1 -13 65  11 o 94.998  2.9584  4906.26    304.395  4673.95    423.320  5154.99    438.016  92.536  4.2237  97.192  4.1609  -4.656570      5.928949  
1 1 1 -13 65  12 o 76.134  3.0921  3153.20    254.978  2821.32    357.972  3494.99    363.273  71.671  4.6363  79.892  4.2131  -8.221764      6.264592  
1 1 1 -13 65  13 o 102.414 3.0278  5706.79    335.862  6164.28    483.547  5280.34    466.853  106.210 4.2034  98.261  4.3866  7.948853       6.075438  
1 1 1 -13 65  14 o 48.764  3.6691  1304.70    192.367  1233.89    270.690  1376.94    273.426  47.052  5.4100  49.800  5.1432  -2.748615      7.464671  
1 1 1 -13 65  15 o 18.280  6.6294  155.960    169.234  131.116    254.066  175.775    226.896  19.954  7.9064  20.248  7.6161  -0.2940044     10.97801  
1 1 1 -13 65  16 o 59.287  3.4520  1925.62    220.708  1858.70    318.413  1987.50    306.203  57.843  5.1359  59.933  4.7562  -2.089962      6.999888  
1 1 1 -13 65  17 f 38.292  1.9306  798.355    79.811   874.866    288.976  792.037    83.041   38.891  7.1227  38.130  2.0179  0.7613411      7.403021  
1 1 1 -13 65  18 o 85.014  3.2795  3949.67    301.971  4055.64    452.354  3864.49    405.569  85.539  4.9030  83.647  4.4930  1.892014       6.650274  
1 1 1 -13 65  19 o 95.208  3.2067  4956.87    330.672  5337.88    490.802  4640.15    447.476  98.294  4.6101  91.685  4.5061  6.608551       6.446555  
1 1 1 -13 65  20 o 11.082  5.3278  -263.8017  187.143  -261.9009  310.070  -264.8909  234.714  15.685  7.3354  13.011  6.1749  2.673745       9.588404  
1 1 1 -13 65  21 o 23.670  7.7139  326.063    227.033  402.278    367.273  278.928    288.828  26.758  9.7567  23.238  8.6218  3.520134       13.02030  
1 1 1 -13 65  22 o 52.894  4.5895  1582.28    260.324  1469.64    406.634  1660.51    338.869  49.001  7.9330  53.445  5.9553  -4.444023      9.919565  
1 1 1 -13 65  23 o 35.100  7.1874  754.526    264.045  797.601    429.237  728.302    334.909  34.215  10.542  33.480  9.0290  0.7349396      13.87982  
1 1 1 -13 65  24 o 12.146  2.6847  84.249     34.380   -557.9180  434.072  88.302     34.488   16.255  7.8871  12.446  2.6401  3.808467       8.317292  
1 1 1 -13 65  25 o 18.517  8.2035  4.2920     326.258  49.098     448.627  -46.0054   475.326  21.495  9.5665  20.984  9.5456  0.5110550      13.51434  
1 1 1 -13 65  26 o 19.806  8.5767  91.766     338.960  -14.8720   467.616  209.835    492.039  20.901  9.4925  23.652  10.288  -2.750658      13.99800  
1 1 1 -13 66  1  o 146.259 3.3169  11624.96   525.445  11339.76   758.996  11887.44   728.148  144.168 4.8607  147.675 4.5524  -3.507629      6.659666  
1 1 1 -13 66  2  o 63.962  2.9902  2221.84    207.151  2198.77    287.672  2246.69    298.541  63.404  4.2130  64.077  4.3270  -0.6729202     6.039209  
1 1 1 -13 66  3  o 178.230 3.6897  17277.73   712.256  17477.78   1005.48  17076.26   1009.09  178.880 5.1897  176.790 5.2699  2.090149       7.396289  
1 1 1 -13 66  4  o 85.651  2.7870  3982.95    258.544  4208.05    361.523  3747.30    369.895  87.944  3.7954  82.955  4.1168  4.988258       5.599435  
1 1 1 -13 66  5  o 75.105  2.2272  3059.81    181.175  2645.96    314.853  3264.68    221.524  69.571  4.1981  77.553  2.6373  -7.982162      4.957733  
1 1 1 -13 66  6  o 64.615  2.8698  2267.43    200.841  2269.12    286.656  2265.79    281.479  64.413  4.1306  64.376  4.0577  0.3620148E-01  5.790231  
1 1 1 -13 66  7  o 183.399 5.3022  18397.57   1053.24  19475.04   1490.42  17322.76   1488.58  187.848 7.3254  176.959 7.7666  10.88965       10.67622  
1 1 1 -13 66  8  o 122.677 3.0810  8179.38    409.376  7879.66    576.232  8484.80    581.696  120.181 4.4268  124.735 4.3056  -4.554138      6.175378  
1 1 1 -13 66  9  o 123.661 3.0305  8312.04    405.899  7434.09    572.603  9198.78    575.463  116.684 4.5308  129.894 4.0903  -13.21062      6.103992  
1 1 1 -13 66  10 o 156.560 4.1598  13373.72   705.385  12767.49   819.121  15113.39   1387.59  152.734 4.9516  164.911 7.7686  -12.17686      9.212449  
1 1 1 -13 66  11 o 54.381  3.4360  1616.55    201.342  1628.08    275.668  1603.36    294.771  54.352  4.7299  53.856  5.1148  0.4962921      6.966572  
1 1 1 -13 66  12 f 52.815  3.6101  1527.29    205.277  1462.97    287.278  1594.40    293.432  51.374  5.2360  53.682  5.1083  -2.308205      7.315118  
1 1 1 -13 66  13 o 79.809  3.0351  3466.51    262.354  3307.62    363.907  3638.46    378.577  77.640  4.3449  81.450  4.3066  -3.810631      6.117650  
1 1 1 -13 66  14 o 19.103  6.5766  186.012    164.787  198.305    219.326  170.077    249.707  20.650  7.5381  20.697  7.9413  -0.4724121E-01 10.94931  
1 1 1 -13 66  15 o 59.546  3.5607  1942.98    228.590  1966.40    322.821  1919.43    323.732  59.556  5.0522  58.813  5.1335  0.7426872      7.202628  
1 1 1 -13 66  16 o 33.461  5.5302  634.930    193.421  674.938    271.347  593.603    275.784  33.989  7.5655  31.780  8.0137  2.209072       11.02077  
1 1 1 -13 66  17 o 114.516 3.1345  7158.08    388.779  7198.57    565.425  7121.76    535.432  114.338 4.5658  113.815 4.3434  0.5223236      6.301737  
1 1 1 -13 66  18 o 66.955  3.5726  2461.35    258.145  2755.93    370.230  2182.63    360.124  70.454  4.8818  62.495  5.3726  7.959839       7.259216  
1 1 1 -13 66  19 o 27.232  6.7134  435.733    196.751  550.109    274.718  315.284    281.918  30.328  8.1768  24.334  8.5876  5.993935       11.85777  
1 1 1 -13 66  20 o 56.825  4.0446  1792.81    247.307  1935.36    395.950  1701.64    316.673  58.015  6.4082  54.829  5.4027  3.186054       8.381815  
1 1 1 -13 66  21 o 48.676  4.7908  1340.89    249.301  1369.40    377.510  1318.85    331.989  47.755  7.5496  47.356  6.6563  0.3982010      10.06494  
1 1 1 -13 66  22 o 58.168  4.4382  1907.24    277.504  2007.42    450.011  1845.77    352.507  57.802  7.3546  56.416  5.8542  1.386677       9.400058  
1 1 1 -13 66  23 o 29.602  8.0928  555.684    266.909  396.199    410.624  672.368    351.230  26.335  10.163  31.906  9.4749  -5.570633      13.89445  
1 1 1 -13 66  24 o 23.855  9.1662  318.179    332.983  225.447    457.817  422.333    485.192  23.975  10.165  26.987  10.848  -3.011824      14.86603  
1 1 1 -13 66  25 o 36.231  9.0947  886.683    356.353  776.662    493.493  1006.56    515.121  32.306  11.366  36.331  11.599  -4.025291      16.23981  
1 1 1 -13 66  26 o 31.822  9.5402  709.729    354.840  517.499    492.729  916.830    511.432  27.744  11.005  34.320  11.590  -6.575859      15.98227  
1 1 1 -13 67  1  f 156.038 3.3975  13236.26   574.195  13203.53   808.245  13269.61   815.877  155.550 4.7974  155.931 4.8308  -0.3804779     6.808204  
1 1 1 -13 67  2  o 124.840 3.1910  8468.73    431.478  8324.38    606.528  8616.62    613.943  123.560 4.5321  125.715 4.5089  -2.154564      6.393011  
1 1 1 -13 67  3  o 107.959 3.0305  6331.24    354.362  5875.97    497.280  6800.94    505.098  103.825 4.4221  111.738 4.1735  -7.913025      6.080564  
1 1 1 -13 67  4  o 142.609 3.2775  11053.86   506.238  10487.24   712.287  11632.22   719.626  138.630 4.7438  146.046 4.5493  -7.416168      6.572659  
1 1 1 -13 67  5  o 44.192  3.5800  1069.20    169.881  1281.37    259.255  909.548    224.889  48.174  5.0435  40.459  5.2561  7.715073       7.284484  
1 1 1 -13 67  6  o 145.200 3.2714  11461.75   514.482  12173.15   714.960  10697.79   740.909  149.401 4.4183  139.946 4.8880  9.455627       6.588970  
1 1 1 -13 67  7  o 108.347 4.3567  6403.00    511.261  6517.30    723.660  6289.10    722.405  108.755 6.1689  106.796 6.2729  1.958252       8.797975  
1 1 1 -13 67  8  o 17.572  6.3148  143.930    153.100  99.376     217.141  187.974    215.896  18.324  7.2939  20.414  7.4748  -2.089510      10.44384  
1 1 1 -13 67  9  o 49.555  3.4267  1342.85    182.795  1285.39    260.145  1398.90    256.907  48.200  5.0585  50.362  4.7665  -2.161808      6.950404  
1 1 1 -13 67  10 o 98.863  2.9409  5313.69    314.907  5185.99    444.620  5442.24    446.075  97.469  4.2116  99.864  4.1241  -2.395325      5.894566  
1 1 1 -13 67  11 o 38.816  4.1272  831.636    170.852  953.083    240.474  707.844    242.784  41.303  5.5131  35.246  6.6023  6.056793       8.601449  
1 1 1 -13 67  12 o 57.615  3.3722  1814.30    209.520  1881.21    302.129  1752.31    290.809  58.398  4.8197  56.350  4.8109  2.047867       6.809879  
1 1 1 -13 67  13 o 31.190  5.0120  547.142    163.580  410.709    224.728  700.893    238.565  26.724  7.4725  35.027  6.5286  -8.302427      9.922735  
1 1 1 -13 67  14 o 117.937 3.0537  7576.42    390.072  7326.39    553.641  7822.88    549.671  115.608 4.4215  119.517 4.2462  -3.909111      6.130259  
1 1 1 -13 67  15 o 84.121  3.0535  3856.60    278.206  3683.06    396.854  4024.30    390.117  81.785  4.4973  85.687  4.2035  -3.902046      6.155910  
1 1 1 -13 67  16 o 103.521 3.1224  5846.44    350.090  5756.88    507.032  5928.04    483.978  102.295 4.5763  103.899 4.3007  -1.604469      6.280031  
1 1 1 -13 67  17 o 136.585 3.3701  10197.53   498.565  10549.61   704.206  9843.70    705.951  138.318 4.7006  133.516 4.8817  4.801544       6.776896  
1 1 1 -13 67  18 o 79.872  3.3303  3489.96    288.108  3566.66    434.318  3429.69    385.015  80.084  5.0328  78.719  4.5349  1.364281       6.774510  
1 1 1 -13 67  19 o 31.910  5.9310  588.743    197.439  477.433    295.306  678.723    265.508  28.360  8.7447  33.810  7.4512  -5.450325      11.48869  
1 1 1 -13 67  20 o 58.792  3.9114  1918.77    247.648  2032.89    384.215  1837.66    323.911  59.545  6.0411  56.948  5.3128  2.597252       8.044876  
1 1 1 -13 67  21 o 33.581  6.5998  673.866    231.484  1114.49    347.676  322.999    310.249  42.737  7.7983  24.260  8.9487  18.47729       11.86985  
1 1 1 -13 67  22 o 19.994  7.9065  169.927    253.606  0.1892     375.834  311.822    343.631  20.052  8.8480  24.289  9.3167  -4.237280      12.84869  
1 1 1 -13 67  23 o 33.462  9.0126  732.740    333.950  866.657    456.133  578.033    490.264  35.222  10.869  29.796  11.198  5.426453       15.60550  
1 1 1 -13 67  24 f 53.964  7.2326  1787.59    412.097  2047.04    536.081  1412.80    644.321  55.931  9.1670  42.243  12.899  13.68764       15.82447  
1 1 1 -13 67  25 o 28.504  9.5351  555.215    346.139  711.828    481.501  387.725    497.940  31.096  11.196  26.120  10.803  4.976120       15.55804  
1 1 1 -13 67  26 f 29.611  9.5998  612.485    351.810  353.935    489.763  888.122    505.687  25.432  10.632  33.852  11.524  -8.419630      15.67915  
1 1 1 -13 68  1  o 70.196  2.9219  2676.41    222.153  2705.34    308.278  2645.15    320.417  70.362  4.0624  69.539  4.2749  0.8231049      5.897301  
1 1 1 -13 68  2  o 80.844  2.6311  3548.00    230.388  3532.28    363.625  3558.54    297.786  80.409  4.1897  80.899  3.3985  -0.4899216     5.394763  
1 1 1 -13 68  3  o 99.948  2.9645  5426.62    320.920  5372.72    448.008  5483.43    459.926  99.301  4.1654  100.309 4.2333  -1.007896      5.938989  
1 1 1 -13 68  4  o 116.214 3.1024  7339.40    390.512  7112.54    550.586  7569.05    553.965  114.196 4.4515  117.824 4.3409  -3.628220      6.217628  
1 1 1 -13 68  5  o 56.934  2.6895  1760.12    165.852  1478.76    194.713  2503.83    316.568  52.024  3.4755  67.623  4.3451  -15.59912      5.564147  
1 1 1 -13 68  6  o 106.793 3.0258  6197.90    349.987  6112.09    494.174  6284.25    495.742  105.860 4.3100  107.349 4.2637  -1.488701      6.062599  
1 1 1 -13 68  7  o 30.075  7.7811  520.363    255.395  295.573    363.038  740.615    359.355  25.875  9.6531  35.710  9.2255  -9.835651      13.35256  
1 1 1 -13 68  8  o 29.631  5.3103  495.289    164.163  395.861    233.943  591.745    230.421  26.431  7.7012  32.153  6.8274  -5.722044      10.29183  
1 1 1 -13 68  9  o 60.345  2.4684  1977.41    161.336  2135.24    297.126  1911.42    192.127  62.368  4.4273  59.216  3.0054  3.152077       5.351072  
1 1 1 -13 68  10 o 100.651 2.9722  5509.00    324.013  5387.17    457.624  5631.46    458.824  99.317  4.2542  101.560 4.1711  -2.243423      5.957870  
1 1 1 -13 68  11 o 149.735 3.3396  12209.63   541.610  11691.13   764.513  12732.06   767.398  146.078 4.8320  152.509 4.6457  -6.431107      6.703084  
1 1 1 -13 68  12 o 26.645  5.8874  406.567    165.379  270.317    239.915  529.922    228.280  22.941  7.9333  30.284  7.0854  -7.343037      10.63669  
1 1 1 -13 68  13 o 42.906  3.9295  1014.32    180.583  961.703    250.850  1070.91    260.171  41.363  5.7553  43.721  5.6246  -2.357933      8.047301  
1 1 1 -13 68  14 o 67.841  3.2722  2509.89    240.435  2559.76    348.696  2464.69    331.974  68.090  4.7581  66.846  4.6134  1.243889       6.627439  
1 1 1 -13 68  15 o 28.657  5.6952  470.112    170.542  467.226    237.704  473.174    244.820  28.303  7.5956  28.477  7.7364  -0.1736069     10.84186  
1 1 1 -13 68  16 o 68.540  3.2541  2565.26    241.575  2439.98    345.670  2684.85    337.744  66.347  4.8438  69.720  4.4965  -3.373894      6.609169  
1 1 1 -13 68  17 f 80.383  2.7091  3520.91    235.867  3427.31    401.922  3570.08    291.303  78.676  4.7387  80.816  3.3279  -2.139862      5.790544  
1 1 1 -13 68  18 o 54.899  4.0411  1666.76    238.599  1525.72    347.345  1792.78    328.317  51.735  6.3309  56.488  5.4332  -4.753563      8.342687  
1 1 1 -13 68  19 o 23.159  7.1868  310.044    199.096  315.240    283.741  305.005    279.435  24.212  8.6077  23.916  8.5379  0.2963142      12.12383  
1 1 1 -13 68  20 o 53.208  2.5544  1548.13    147.208  1702.72    375.136  1519.99    160.045  54.059  6.5400  52.595  2.8198  1.464157       7.121968  
1 1 1 -13 68  21 o 22.446  8.2795  269.032    265.579  313.365    402.247  234.771    353.608  25.192  9.9590  23.151  9.2766  2.041092       13.61017  
1 1 1 -13 68  22 o 14.724  6.8147  -162.6022  256.990  23.494     394.801  -299.4315  338.532  20.713  9.1069  15.838  7.4865  4.875127       11.78908  
1 1 1 -13 68  23 o 26.237  9.1669  429.872    320.733  325.623    429.541  561.235    482.177  25.236  10.185  29.376  11.091  -4.140240      15.05778  
1 1 1 -13 68  24 o 39.153  8.5676  999.979    353.226  1460.25    485.850  483.924    514.451  46.195  10.0000 27.891  11.185  18.30389       15.00339  
1 1 1 -13 68  25 o 16.602  7.6607  -138.4152  321.150  152.892    438.176  -476.5263  472.066  22.397  9.7250  17.389  8.3855  5.008537       12.84106  
1 1 1 -13 69  1  o 146.325 3.2597  11640.70   516.620  11096.07   726.909  12196.58   734.371  142.558 4.7078  149.504 4.5352  -6.946167      6.536901  
1 1 1 -13 69  2  o 149.797 3.3276  12201.86   539.888  11568.91   761.141  12842.77   765.915  145.532 4.8288  153.393 4.6100  -7.861313      6.676020  
1 1 1 -13 69  3  o 81.042  3.0150  3568.90    264.649  3293.54    370.282  3856.45    378.389  77.578  4.4252  84.116  4.1533  -6.537949      6.068919  
1 1 1 -13 69  4  o 116.576 3.0337  7385.55    383.044  7345.33    550.064  7423.42    533.719  116.039 4.3766  116.683 4.2231  -0.6444244     6.081903  
1 1 1 -13 69  5  o 18.170  6.2969  164.085    151.187  55.996     205.029  292.904    223.828  16.983  6.9679  23.402  7.6609  -6.418598      10.35570  
1 1 1 -13 69  6  o 22.591  6.5260  287.385    168.639  288.888    236.916  285.842    240.100  23.476  7.8884  23.446  7.9409  0.3016663E-01  11.19306  
1 1 1 -13 69  7  o 85.375  3.0920  3963.38    285.914  4267.92    398.742  3641.10    410.187  88.448  4.1623  81.489  4.6668  6.959023       6.253300  
1 1 1 -13 69  8  f 32.558  5.0229  593.550    171.430  594.247    237.164  592.787    248.080  32.181  7.0032  32.095  7.3012  0.8652115E-01  10.11689  
1 1 1 -13 69  9  o 49.992  1.8757  1355.65    101.560  1068.24    252.400  1411.17    110.937  43.793  5.4384  50.999  2.0084  -7.206657      5.797380  
1 1 1 -13 69  10 o 98.075  2.9818  5231.75    316.747  5078.59    442.462  5392.74    453.643  96.415  4.2370  99.357  4.2155  -2.941681      5.976829  
1 1 1 -13 69  11 o 75.348  3.0762  3090.05    251.046  2900.48    347.884  3296.05    362.640  72.672  4.4410  77.511  4.3370  -4.838295      6.207439  
1 1 1 -13 69  12 o 41.935  4.2945  972.110    192.302  872.925    268.103  1077.21    275.980  39.180  6.5490  43.775  5.9770  -4.594841      8.866493  
1 1 1 -13 69  13 o 124.289 3.1662  8418.64    426.227  8470.19    602.748  8367.08    602.805  124.280 4.4778  123.512 4.5061  0.7684937      6.352585  
1 1 1 -13 69  14 o 65.494  3.4177  2347.61    241.600  2182.06    341.766  2512.99    341.583  62.737  5.0731  67.458  4.7045  -4.721867      6.918728  
1 1 1 -13 69  15 o 34.018  5.4726  655.725    194.803  685.784    276.136  625.944    274.855  34.220  7.6432  32.628  7.8688  1.591736       10.96980  
1 1 1 -13 69  16 f 58.107  3.5188  1853.29    220.415  1860.69    315.391  1846.23    308.161  57.807  5.0892  57.611  4.9878  0.1956863      7.125887  
1 1 1 -13 69  17 o 85.007  2.7874  3940.54    256.638  3550.89    434.952  4148.65    317.867  79.920  5.0508  87.084  3.3701  -7.164612      6.071871  
1 1 1 -13 69  18 o 19.634  6.9033  198.355    182.024  207.582    267.617  190.411    248.308  21.622  8.2389  20.831  7.9364  0.7918873      11.43966  
1 1 1 -13 69  19 o 41.562  4.7188  973.745    208.657  1088.91    309.926  878.272    282.191  43.101  6.8697  38.558  7.0155  4.542130       9.818797  
1 1 1 -13 69  20 o 38.685  2.3330  820.466    97.296   912.422    371.060  813.677    100.824  37.912  9.1426  38.504  2.4301  -0.5926476     9.460086  
1 1 1 -13 69  21 o 33.134  7.8974  682.465    279.405  842.973    433.275  568.200    365.572  35.463  10.522  29.805  9.7922  5.658045       14.37339  
1 1 1 -13 69  22 o 50.699  6.7853  1536.87    363.250  1393.83    482.401  1724.20    552.037  45.833  9.9990  50.765  10.390  -4.932774      14.41975  
1 1 1 -13 69  23 o 25.755  9.5036  403.487    349.980  183.742    434.214  810.959    591.280  23.180  9.8661  33.240  12.335  -10.05949      15.79560  
1 1 1 -13 69  24 o 26.867  9.2863  472.325    328.714  792.326    444.763  87.114     487.980  33.116  10.797  22.592  10.020  10.52455       14.72983  
1 1 1 -13 69  25 o 25.560  9.2779  419.101    331.574  487.171    450.516  338.650    489.775  27.298  10.614  25.402  10.627  1.896118       15.01940  
1 1 1 -13 70  1  o 90.646  2.8315  4463.82    277.990  4273.65    380.162  4682.35    407.538  88.560  3.9633  92.684  4.0597  -4.123878      5.673549  
1 1 1 -13 70  2  o 115.798 3.0395  7288.23    381.216  6910.35    534.564  7679.28    543.797  112.534 4.3858  118.661 4.2312  -6.126869      6.094061  
1 1 1 -13 70  3  o 114.869 2.9965  7171.46    372.817  6908.26    518.578  7453.03    536.357  112.537 4.2545  116.894 4.2364  -4.356590      6.003949  
1 1 1 -13 70  4  o 133.515 3.1899  9694.00    461.302  9462.93    656.200  9919.75    648.623  131.620 4.6030  134.799 4.4426  -3.179108      6.397215  
1 1 1 -13 70  5  o 33.948  1.2603  624.552    46.342   294.598    219.276  639.979    47.413   23.369  7.5792  34.365  1.2738  -10.99624      7.685475  
1 1 1 -13 70  6  o 86.247  3.5992  4050.69    336.216  3961.37    585.214  4094.70    410.775  84.547  6.4391  86.487  4.3996  -1.940048      7.798615  
1 1 1 -13 70  7  o 132.751 3.1940  9586.63    459.239  9303.84    648.470  9871.16    650.458  130.468 4.5890  134.419 4.4678  -3.951157      6.404654  
1 1 1 -13 70  8  o 95.686  3.0044  4979.05    311.375  4657.75    437.542  5308.73    443.214  92.333  4.3751  98.618  4.1494  -6.284851      6.029880  
1 1 1 -13 70  9  o 113.347 3.0867  6989.75    378.946  6810.34    535.906  7169.16    535.914  111.610 4.4332  114.540 4.3198  -2.929817      6.189830  
1 1 1 -13 70  10 o 105.198 3.0427  6022.07    346.681  5608.67    484.949  6454.17    495.793  101.253 4.4220  108.668 4.2124  -7.414795      6.107234  
1 1 1 -13 70  11 o 27.627  5.8991  436.798    171.152  451.761    260.888  425.492    226.773  28.042  8.1217  27.176  7.4721  0.8664799      11.03606  
1 1 1 -13 70  12 o 65.505  3.2493  2338.68    230.531  2319.69    332.532  2356.25    319.877  64.833  4.7690  65.400  4.5440  -0.5673599     6.587187  
1 1 1 -13 70  13 o 92.275  2.8072  4634.92    280.563  4393.11    436.196  4805.55    366.416  89.362  4.5214  93.802  3.6066  -4.440376      5.783648  
1 1 1 -13 70  14 o 89.905  3.0985  4407.35    301.722  4223.10    434.607  4578.78    419.208  87.532  4.6003  91.366  4.2362  -3.834572      6.253620  
1 1 1 -13 70  15 o 75.568  3.2329  3117.51    264.607  3066.70    385.335  3162.85    363.997  74.443  4.8047  75.717  4.4582  -1.273636      6.554414  
1 1 1 -13 70  16 o 42.215  4.3985  990.607    198.157  1038.06    286.611  947.148    274.268  42.640  6.4038  40.681  6.4389  1.958576       9.081193  
1 1 1 -13 70  17 o 28.106  0.9545  428.178    29.056   -224.5480  294.379  434.600    29.198   15.644  7.2593  28.316  0.9520  -12.67226      7.321469  
1 1 1 -13 70  18 o 53.859  3.8509  1605.35    223.160  1843.15    324.899  1392.96    307.049  57.202  5.3044  49.454  5.8454  7.747784       7.893406  
1 1 1 -13 70  19 o 17.101  6.9981  80.030     206.139  179.159    314.229  5.1399     273.122  21.730  8.7315  17.751  7.6928  3.978247       11.63696  
1 1 1 -13 70  20 o 86.022  3.1851  4075.56    296.756  4413.13    520.074  3912.59    361.357  87.933  5.4880  83.893  3.9768  4.039627       6.777457  
1 1 1 -13 70  21 o 28.263  9.6734  500.608    356.334  881.735    512.804  144.760    495.506  35.628  11.592  24.132  10.410  11.49638       15.58044  
1 1 1 -13 70  22 o 39.639  8.3460  995.096    346.988  1014.65    458.827  968.973    530.333  38.341  10.662  36.668  11.776  1.673241       15.88552  
1 1 1 -13 70  23 o 36.418  8.8667  872.154    346.468  499.709    464.530  1339.09    520.130  28.072  10.816  43.359  11.045  -15.28667      15.45879  
1 1 1 -13 70  24 o 30.270  9.3175  624.388    335.421  480.943    456.767  792.273    494.150  27.355  10.673  32.635  11.380  -5.280052      15.60174  
1 1 1 -13 70  25 o 21.729  8.8498  220.489    327.711  68.801     449.394  392.765    478.921  21.611  9.5985  26.046  10.664  -4.434944      14.34726  
1 1 1 -13 71  1  o 36.618  3.8065  738.273    148.761  664.257    201.250  827.429    220.877  34.373  5.5984  38.483  5.4517  -4.110466      7.814312  
1 1 1 -13 71  2  o 183.867 3.7256  18414.44   741.936  17614.42   1047.55  19219.68   1050.97  179.262 5.3953  187.340 5.1795  -8.078568      7.479098  
1 1 1 -13 71  3  o 169.648 3.5529  15668.92   652.831  15817.27   921.669  15519.56   924.824  170.008 5.0054  168.377 5.0711  1.630768       7.125318  
1 1 1 -13 71  4  o 143.641 3.3260  11226.37   517.459  11081.99   729.050  11372.94   734.578  142.375 4.7277  144.239 4.7020  -1.864227      6.667876  
1 1 1 -13 71  5  o 168.758 3.5533  15507.45   649.481  15016.31   914.570  16007.15   922.490  165.588 5.0994  171.007 4.9805  -5.419724      7.128089  
1 1 1 -13 71  6  o 85.346  3.0605  3961.12    282.906  3773.36    579.626  4019.84    324.137  82.444  6.5449  85.924  3.4829  -3.479408      7.413964  
1 1 1 -13 71  7  o 59.541  3.2210  1934.67    206.948  2060.46    299.333  1819.50    286.430  61.226  4.5463  57.496  4.6390  3.729580       6.495295  
1 1 1 -13 71  8  o 28.700  1.7411  448.365    53.867   419.167    236.593  449.961    55.320   27.078  7.7011  28.748  1.7855  -1.669336      7.905374  
1 1 1 -13 71  9  o 84.456  3.0165  3880.88    275.935  3660.55    391.871  4097.55    388.611  81.683  4.4461  86.602  4.1430  -4.919510      6.077209  
1 1 1 -13 71  10 f 57.167  3.4035  1787.28    209.782  1642.34    297.689  1930.27    295.675  54.452  5.1072  59.175  4.6507  -4.723240      6.907381  
1 1 1 -13 71  11 o 113.916 3.0681  7066.79    378.557  6750.71    535.015  7383.70    535.707  111.001 4.4501  116.145 4.2585  -5.144211      6.159414  
1 1 1 -13 71  12 o 78.895  2.6922  3386.34    230.052  3352.65    404.928  3402.40    279.550  77.967  4.8187  78.996  3.2672  -1.029030      5.821903  
1 1 1 -13 71  13 f 4.3271  2.0208  -22.9052   23.397   47.917     294.694  -23.3545   23.471   19.517  8.2082  4.3197  2.0196  15.19688       8.453022  
1 1 1 -13 71  14 o 83.980  3.2279  3849.04    293.607  4075.92    422.552  3637.26    408.263  85.977  4.5539  81.169  4.6634  4.807205       6.518070  
1 1 1 -13 71  15 o 42.806  4.4474  1018.12    203.188  1013.99    281.813  1022.59    293.228  42.176  6.3674  42.275  6.6214  -0.9900665E-01 9.186220  
1 1 1 -13 71  16 o 45.484  4.4488  1150.23    216.359  1199.18    308.771  1103.02    303.258  45.843  6.3925  43.868  6.5860  1.975227       9.178204  
1 1 1 -13 71  17 o 89.447  2.8234  4368.38    273.531  4429.23    441.573  4330.50    348.430  89.369  4.5773  88.826  3.6217  0.5432205      5.836754  
1 1 1 -13 71  18 o 68.850  3.4693  2612.51    257.879  2760.37    380.544  2486.96    350.675  70.110  5.0451  66.600  4.8957  3.509666       7.030024  
1 1 1 -13 71  19 o 39.292  5.1255  882.821    212.931  910.866    302.080  855.125    300.190  38.859  7.4483  37.524  7.6456  1.335133       10.67397  
1 1 1 -13 71  20 o 28.238  9.5982  493.676    350.792  203.540    502.726  768.995    489.720  25.113  10.650  33.853  11.342  -8.740032      15.55790  
1 1 1 -13 71  21 o 37.053  8.5971  872.844    338.351  1179.47    451.709  480.898    510.704  42.180  10.033  28.709  11.262  13.47032       15.08332  
1 1 1 -13 71  22 o 19.030  8.0561  86.035     286.868  187.572    421.469  -1.6050    391.565  23.153  9.7812  20.171  8.9593  2.982260       13.26424  
1 1 1 -13 71  23 o 19.025  8.4819  -14.7711   354.328  -63.1750   523.747  26.080     481.151  21.829  9.9647  21.971  9.8332  -0.1424694     13.99954  
1 1 1 -13 71  24 o 36.690  8.8383  896.465    347.055  991.240    478.082  790.880    504.611  36.621  11.095  32.578  11.490  4.042561       15.97252  
1 1 1 -13 72  1  o 86.246  2.8857  4042.77    269.564  3895.15    373.569  4203.13    389.363  84.505  4.0815  87.780  4.0953  -3.275116      5.781912  
1 1 1 -13 72  2  o 78.429  3.0283  3344.38    257.245  3395.17    360.941  3291.95    366.728  78.760  4.2469  77.523  4.3856  1.236961       6.104867  
1 1 1 -13 72  3  o 92.517  3.0430  4654.07    304.919  4246.14    430.590  5064.40    431.854  88.040  4.5309  96.344  4.1385  -8.303925      6.136499  
1 1 1 -13 72  4  o 101.158 2.7885  5560.81    305.516  5689.13    455.748  5456.09    411.728  102.111 4.1208  100.053 3.7993  2.057068       5.605010  
1 1 1 -13 72  5  o 136.895 3.2239  10196.75   478.018  10512.73   674.073  9877.09    677.984  138.694 4.4872  134.389 4.6579  4.305603       6.467680  
1 1 1 -13 72  6  o 76.527  4.7933  3217.75    395.296  3172.69    535.919  3271.51    585.423  75.499  6.6206  76.505  7.1478  -1.006233      9.742809  
1 1 1 -13 72  7  o 41.748  4.2234  961.530    188.343  997.016    259.457  922.002    273.838  42.179  5.8357  40.375  6.4813  1.804035       8.721369  
1 1 1 -13 72  8  o 42.436  4.1325  992.849    187.530  1076.75    261.660  904.234    268.904  43.892  5.6341  39.969  6.4295  3.922722       8.548809  
1 1 1 -13 72  9  o 13.201  5.8086  -40.7542   160.890  -17.5048   220.831  -67.0569   234.884  16.065  6.9397  15.764  6.9733  0.3016415      9.838017  
1 1 1 -13 72  10 o 21.104  6.6832  244.534    171.275  297.966    233.413  182.201    252.105  23.552  7.8287  21.036  8.0011  2.516016       11.19400  
1 1 1 -13 72  11 o 57.655  2.4587  1806.88    153.539  1892.30    305.852  1778.10    177.529  58.490  4.8722  57.082  2.8807  1.407726       5.660141  
1 1 1 -13 72  12 o 11.519  3.0451  74.874     38.569   466.003    262.666  66.255     38.991   28.351  8.1315  10.905  3.1345  17.44597       8.714761  
1 1 1 -13 72  13 o 29.713  1.1895  478.618    38.281   45.066     305.356  485.541    38.585   19.751  8.3337  29.928  1.1904  -10.17651      8.418246  
1 1 1 -13 72  14 o 88.567  2.8527  4274.52    273.657  4288.38    431.651  4265.20    353.859  88.184  4.5347  88.284  3.7006  -0.1002426     5.853014  
1 1 1 -13 72  15 o 121.660 3.2483  8085.64    428.023  8052.30    611.850  8117.60    598.987  120.849 4.6745  121.392 4.5557  -0.5432053     6.527287  
1 1 1 -13 72  16 o 67.818  3.5457  2527.03    259.540  2882.36    384.360  2229.22    351.878  71.961  4.9617  63.162  5.1895  8.799698       7.179773  
1 1 1 -13 72  17 o 17.036  1.5247  158.836    27.835   -79.6878   355.827  160.304    27.921   19.106  8.5103  17.115  1.5221  1.990709       8.645300  
1 1 1 -13 72  18 o 29.011  7.3207  507.587    230.029  911.161    391.121  294.176    284.419  38.001  9.5220  23.562  8.5867  14.43882       12.82188  
1 1 1 -13 72  19 o 22.560  8.5496  254.965    287.202  465.705    393.556  14.875     420.068  27.999  10.116  21.406  9.4031  6.592718       13.81161  
1 1 1 -13 72  20 o 34.864  8.6818  770.096    326.586  977.640    434.188  499.683    495.606  38.394  10.249  29.133  11.185  9.260948       15.17105  
1 1 1 -13 72  21 o 26.513  8.4801  438.273    275.230  627.343    440.970  317.616    352.269  30.807  10.750  24.426  9.4166  6.381321       14.29079  
1 1 1 -13 72  22 o 66.285  5.7337  2562.12    407.590  2901.41    551.034  2152.21    605.670  68.882  7.5074  56.588  10.260  12.29401       12.71310  
1 1 1 -13 72  23 o 58.949  6.2715  2072.80    394.272  1939.20    531.066  2236.87    588.519  54.107  9.4033  57.797  9.7481  -3.689610      13.54428  
1 1 1 -13 72  24 o 19.298  8.3883  61.401     326.686  -55.9465   443.398  200.742    483.167  20.289  9.2254  23.746  10.261  -3.457680      13.79866  
1 1 1 -13 73  1  o 97.463  2.9449  5164.53    310.871  4925.52    433.347  5417.94    446.212  94.985  4.2122  99.635  4.1349  -4.649368      5.902518  
1 1 1 -13 73  2  o 58.297  3.2183  1854.73    202.422  1756.88    287.697  1950.67    284.860  56.474  4.7475  59.587  4.4458  -3.113064      6.504091  
1 1 1 -13 73  3  o 152.859 3.3157  12717.81   548.957  12851.23   774.741  12583.28   777.953  153.281 4.6666  151.652 4.7362  1.629044       6.648964  
1 1 1 -13 73  4  o 140.873 3.2918  10801.39   502.262  10637.13   709.826  10966.10   710.786  139.434 4.7002  141.594 4.6347  -2.159592      6.600920  
1 1 1 -13 73  5  o 80.369  3.0913  3513.95    269.094  3433.15    377.993  3596.98    383.173  79.130  4.4281  81.011  4.3833  -1.881599      6.230678  
1 1 1 -13 73  6  o 164.268 5.0590  14799.23   900.093  14273.97   1260.45  15345.83   1285.78  160.263 7.2614  166.241 7.1410  -5.978180      10.18437  
1 1 1 -13 73  7  o 110.304 3.1231  6622.30    373.125  6632.10    523.450  6612.18    532.009  110.116 4.3889  109.931 4.4682  0.1852417      6.263117  
1 1 1 -13 73  8  o 76.342  3.1395  3173.02    259.595  3108.86    369.817  3235.35    364.488  75.211  4.5613  76.769  4.4019  -1.558136      6.338980  
1 1 1 -13 73  9  o 99.628  3.0341  5403.82    327.406  5257.21    459.695  5554.76    466.423  98.000  4.3309  100.749 4.2743  -2.749084      6.084931  
1 1 1 -13 73  10 o 23.570  1.5669  302.622    39.772   390.763    238.626  300.104    40.336   26.178  7.8179  23.468  1.5964  2.709770       7.979246  
1 1 1 -13 73  11 o 55.802  2.4546  1692.88    148.353  1707.23    305.165  1688.44    169.764  55.451  5.1395  55.623  2.8272  -0.1717453     5.865734  
1 1 1 -13 73  12 o 60.633  3.4132  2013.35    223.243  2021.69    315.870  2005.03    315.556  60.416  4.8684  60.160  4.8850  0.2559433      6.896744  
1 1 1 -13 73  13 o 26.536  6.5714  408.594    187.878  258.552    282.221  528.010    251.776  23.267  8.5422  30.010  7.7061  -6.743101      11.50445  
1 1 1 -13 73  14 o 19.295  1.4317  203.044    29.707   36.550     293.841  204.763    29.860   19.237  8.1491  19.376  1.4330  -0.1393566     8.274093  
1 1 1 -13 73  15 o 73.410  3.5473  2951.08    282.051  2775.17    410.142  3108.92    388.498  70.482  5.4140  74.854  4.8174  -4.372444      7.247032  
1 1 1 -13 73  16 o 31.708  6.3174  584.650    209.337  552.725    293.180  617.855    298.999  30.351  8.5521  32.033  8.4835  -1.681776      12.04613  
1 1 1 -13 73  17 o 127.623 3.3374  8943.56    461.323  9886.74    684.916  8160.36    624.131  133.251 4.7457  121.049 4.7604  12.20190       6.721818  
1 1 1 -13 73  18 o 111.393 3.7683  6864.34    454.639  8143.71    775.911  6195.44    561.039  119.263 6.0262  105.041 4.9314  14.22197       7.786779  
1 1 1 -13 73  19 o 47.716  6.4191  1334.72    323.333  1373.42    466.791  1299.02    448.293  46.370  9.6100  45.163  9.4672  1.207165       13.49000  
1 1 1 -13 73  20 o 57.234  5.6752  1891.82    347.170  1612.68    455.832  2277.40    535.734  50.862  8.5797  60.782  8.3590  -9.919666      11.97848  
1 1 1 -13 73  21 o 70.402  4.6248  2809.00    350.693  3367.77    571.628  2471.75    444.087  74.914  7.1310  64.711  6.4208  10.20290       9.595776  
1 1 1 -13 73  22 o 64.173  6.1839  2434.51    424.501  2817.25    625.537  2107.79    577.953  66.228  8.9498  56.311  9.8340  9.917076       13.29686  
1 1 1 -13 73  23 o 37.073  8.8152  909.294    348.789  1145.44    475.523  634.303    513.146  39.978  10.749  30.110  11.424  9.867792       15.68609  
1 1 1 -13 74  1  o 12.305  5.2893  -8.3638    127.045  15.330     172.405  -36.5187   187.934  14.857  6.2650  14.464  6.3230  0.3938704      8.901174  
1 1 1 -13 74  2  o 55.780  3.2740  1699.49    196.935  1825.68    280.658  1577.10    276.408  57.603  4.5351  53.454  4.8262  4.148945       6.622672  
1 1 1 -13 74  3  o 28.541  1.2776  441.486    39.492   198.422    225.958  449.145    40.110   20.863  7.6459  28.787  1.2864  -7.923695      7.753337  
1 1 1 -13 74  4  f 48.787  3.6784  1304.83    192.939  1071.24    269.115  1551.88    276.760  43.745  5.8247  53.004  4.8755  -9.259277      7.595927  
1 1 1 -13 74  5  o 80.960  3.1065  3567.06    272.403  3072.44    379.149  4094.77    391.627  74.759  4.7065  86.572  4.1766  -11.81285      6.292485  
1 1 1 -13 74  6  o 86.751  4.6449  4133.10    434.856  4011.57    592.703  4274.78    639.973  84.900  6.4948  87.544  6.8028  -2.643646      9.405335  
1 1 1 -13 74  7  o 85.935  3.1063  4020.33    289.126  3886.77    399.936  4166.55    418.466  84.162  4.4026  87.135  4.4489  -2.972214      6.259054  
1 1 1 -13 74  8  o 51.638  3.6702  1462.40    203.936  1372.19    285.535  1556.32    291.370  49.645  5.3972  52.969  5.1436  -3.323479      7.455607  
1 1 1 -13 74  9  o 46.562  3.8670  1192.59    193.253  1021.05    277.544  1354.02    269.246  42.515  6.2104  49.364  5.1097  -6.848934      8.042281  
1 1 1 -13 74  10 o 71.023  2.6125  2743.57    200.964  2956.55    347.094  2636.18    246.481  73.314  4.3913  69.534  3.2728  3.779976       5.476757  
1 1 1 -13 74  11 o 79.875  3.1637  3478.70    273.697  3623.70    381.666  3325.19    392.702  81.164  4.3575  77.643  4.6918  3.521423       6.403185  
1 1 1 -13 74  12 o 31.654  5.9888  573.735    197.805  468.382    281.137  677.018    278.360  28.426  8.4849  33.999  7.7336  -5.572407      11.48055  
1 1 1 -13 74  13 o 81.602  3.2242  3634.62    284.967  3616.90    396.845  3653.49    409.458  80.970  4.5435  81.338  4.6673  -0.3687286     6.513586  
1 1 1 -13 74  14 o 149.448 3.4834  12218.89   563.857  12488.38   784.041  11930.20   811.496  150.398 4.8131  146.824 5.1029  3.573456       7.014680  
1 1 1 -13 74  15 o 61.531  3.7722  2085.61    250.179  2239.69    377.311  1964.73    334.211  63.157  5.5730  59.240  5.2636  3.916935       7.665760  
1 1 1 -13 74  16 o 84.289  3.3729  3897.66    307.926  4073.16    457.415  3752.21    416.414  85.396  4.9669  82.081  4.7035  3.314499       6.840563  
1 1 1 -13 74  17 o 27.213  2.3194  406.883    67.712   1026.15    390.564  387.693    68.753   40.620  9.1028  26.542  2.4181  14.07786       9.418451  
1 1 1 -13 74  18 o 56.484  5.9058  1838.95    355.966  1884.87    475.130  1780.20    537.432  55.784  8.1007  53.009  9.7187  2.774452       12.65206  
1 1 1 -13 74  19 o 33.302  8.1208  690.314    290.280  605.815    369.475  826.585    469.203  30.751  9.8242  35.064  11.057  -4.312870      14.79104  
1 1 1 -13 74  20 f 22.768  1.6590  283.626    40.629   -20.2931   379.937  287.142    40.863   19.891  8.8305  22.909  1.6580  -3.018171      8.984846  
1 1 1 -13 74  21 o 72.287  5.7367  3036.08    445.459  2969.18    656.195  3093.26    606.664  68.154  9.1179  70.721  8.0642  -2.567604      12.17245  
1 1 1 -13 74  22 o 23.642  9.1246  307.159    331.037  304.676    455.696  309.935    481.699  25.046  10.344  25.413  10.577  -0.3663998     14.79453  
1 1 1 -13 74  23 o 32.217  9.8210  716.455    373.750  677.695    472.709  781.094    610.442  30.899  11.097  32.327  12.413  -1.428642      16.65027  
1 1 1 -13 75  1  o 33.431  4.5123  622.240    159.211  638.933    223.296  604.978    227.069  33.473  6.3923  32.491  6.6758  0.9819489      9.242661  
1 1 1 -13 75  2  o 97.379  2.8205  5156.21    297.477  4994.92    399.160  5357.71    446.142  95.676  3.8519  99.028  4.1595  -3.351738      5.669107  
1 1 1 -13 75  3  f 88.184  2.9804  4230.68    284.665  4244.05    400.063  4216.96    405.138  88.127  4.1913  87.833  4.2587  0.2945099      5.975221  
1 1 1 -13 75  4  o 23.473  6.2246  315.209    160.835  266.140    224.135  367.298    230.928  22.581  7.6722  25.514  7.7070  -2.932669      10.87475  
1 1 1 -13 75  5  o 140.226 3.2959  10710.68   500.582  10922.65   704.650  10494.71   711.258  141.217 4.6070  138.376 4.7457  2.841522       6.614049  
1 1 1 -13 75  6  o 59.596  2.5385  1930.34    163.858  1794.08    302.668  1986.84    194.889  56.963  4.9551  60.422  2.9780  -3.458656      5.781132  
1 1 1 -13 75  7  o 53.915  3.5778  1592.68    207.744  1369.84    293.046  1817.81    294.548  49.560  5.5548  57.367  4.7842  -7.806404      7.331042  
1 1 1 -13 75  8  o 73.792  3.1395  2966.39    250.923  2708.00    351.950  3233.51    357.841  70.109  4.6614  76.723  4.3238  -6.614616      6.358018  
1 1 1 -13 75  9  f 25.938  1.8377  366.941    51.292   573.723    248.213  357.717    52.424   31.407  7.4154  25.602  1.9042  5.805899       7.655999  
1 1 1 -13 75  10 o 27.221  6.2776  427.650    181.304  581.111    250.501  258.824    262.742  31.572  7.4464  22.968  8.2705  8.603420       11.12877  
1 1 1 -13 75  11 o 64.155  3.4317  2253.84    237.596  2186.81    329.892  2326.08    342.484  62.836  4.8856  64.808  4.9157  -1.972260      6.930648  
1 1 1 -13 75  12 o 39.173  4.7725  856.804    198.303  844.256    292.968  867.414    269.397  38.146  7.3576  38.902  6.6315  -0.7559547     9.905093  
1 1 1 -13 75  13 o 48.227  4.1758  1286.36    215.970  1240.88    318.943  1324.86    293.497  46.687  6.4822  48.528  5.6920  -1.840778      8.626625  
1 1 1 -13 75  14 o 68.954  3.4960  2609.71    260.244  2588.52    382.256  2628.00    355.302  68.119  5.2208  68.794  4.7985  -0.6750412     7.091008  
1 1 1 -13 75  15 o 97.759  3.2896  5234.40    348.311  4869.82    493.239  5597.06    491.935  93.544  4.8852  100.591 4.5152  -7.046432      6.652224  
1 1 1 -13 75  16 o 80.692  3.7338  3588.05    326.328  3715.90    547.410  3517.58    406.444  80.622  6.3195  79.344  4.7514  1.278198       7.906419  
1 1 1 -13 75  17 o 43.178  6.9205  1102.20    312.713  1161.53    462.428  1052.21    424.490  42.438  10.189  40.595  9.7719  1.842369       14.11779  
1 1 1 -13 75  18 o 21.092  8.2048  199.612    269.307  236.125    376.837  161.499    385.010  23.703  9.5487  22.678  9.4487  1.024897       13.43338  
1 1 1 -13 75  19 o 40.431  6.0266  957.586    255.847  906.591    380.475  999.678    345.669  37.460  9.3944  40.106  8.2334  -2.646606      12.49172  
1 1 1 -13 75  20 o 43.803  2.7315  1057.85    128.945  2438.83    562.943  981.378    132.467  62.549  8.5321  42.130  2.9211  20.41905       9.018254  
1 1 1 -13 75  21 o 32.145  9.2070  683.052    336.950  1087.61    464.331  233.044    489.720  39.574  10.614  24.710  10.497  14.86392       14.92777  
1 1 1 -13 75  22 o 75.849  5.6849  3362.67    463.627  4061.50    686.801  2777.61    628.416  80.660  7.9656  65.322  9.1318  15.33722       12.11771  
1 1 1 -13 75  23 f 41.634  8.3697  1118.40    364.333  1320.45    506.164  901.159    524.833  42.972  10.868  34.621  11.740  8.350819       15.99838  
1 1 1 -13 76  1  o 135.821 3.1607  10044.06   464.965  9480.37    654.691  10617.75   660.466  131.562 4.5945  139.303 4.3774  -7.740875      6.345966  
1 1 1 -13 76  2  o 64.669  3.0538  2276.26    213.902  2284.63    299.381  2267.53    305.724  64.488  4.3111  64.221  4.4222  0.2665787      6.175834  
1 1 1 -13 76  3  o 62.292  2.5430  2108.78    171.575  2093.82    204.246  2144.66    316.251  62.023  3.0404  62.381  4.7155  -0.3573647     5.610732  
1 1 1 -13 76  4  o 159.163 3.5301  13814.26   608.559  13943.75   860.740  13684.84   860.525  159.362 4.9868  157.855 5.0331  1.506622       7.085174  
1 1 1 -13 76  5  o 89.691  3.6735  4390.04    356.861  5249.98    618.714  3961.34    436.847  97.332  5.8968  84.848  4.7729  12.48367       7.586400  
1 1 1 -13 76  6  o 88.979  3.0898  4311.50    297.778  4427.68    414.360  4187.42    428.225  89.947  4.2533  87.294  4.5449  2.652809       6.224636  
1 1 1 -13 76  7  o 103.643 3.0985  5850.96    347.824  5770.96    484.894  5935.74    499.214  102.642 4.3617  104.079 4.4285  -1.436775      6.215740  
1 1 1 -13 76  8  o 40.335  4.5653  903.539    195.931  975.268    268.215  821.466    286.904  41.529  6.1487  37.736  7.2834  3.793484       9.531793  
1 1 1 -13 76  9  o 94.278  3.0757  4843.86    314.074  4594.56    442.016  5098.07    446.352  91.505  4.4599  96.440  4.2732  -4.935310      6.176593  
1 1 1 -13 76  10 o 96.273  3.0560  5052.10    318.658  5026.82    452.814  5076.91    448.517  95.709  4.3681  96.203  4.3045  -0.4939346     6.132641  
1 1 1 -13 76  11 o 81.161  3.1231  3592.53    274.536  3632.08    390.470  3553.87    386.073  81.194  4.4572  80.313  4.4557  0.8811264      6.302378  
1 1 1 -13 76  12 o 95.197  3.1814  4946.44    328.029  4921.18    465.403  4971.37    462.418  94.570  4.5436  95.069  4.4908  -0.4983521     6.388449  
1 1 1 -13 76  13 o 93.488  3.2148  4775.56    325.521  5051.34    463.672  4507.52    457.110  95.753  4.4708  90.260  4.6920  5.493042       6.480945  
1 1 1 -13 76  14 o 104.185 3.1374  5935.11    354.032  5918.94    502.996  5951.00    498.389  103.526 4.4859  103.830 4.4318  -0.3041458     6.305818  
1 1 1 -13 76  15 o 72.576  3.5562  2894.63    279.546  3007.68    418.890  2803.86    375.358  73.148  5.3237  70.801  4.9254  2.346802       7.252725  
1 1 1 -13 76  16 f 87.245  4.6604  4257.08    438.786  4006.77    636.141  4484.24    606.027  82.880  7.1567  88.350  6.3760  -5.469124      9.584929  
1 1 1 -13 76  17 o 61.639  5.3326  2161.15    352.510  2010.11    460.688  2374.50    547.533  58.117  7.4932  62.638  8.2730  -4.520668      11.16205  
1 1 1 -13 76  18 o 29.296  6.9275  519.182    216.361  596.041    326.210  458.815    289.101  30.678  9.1359  27.314  8.6864  3.364229       12.60633  
1 1 1 -13 76  19 o 38.438  6.4899  878.558    260.571  1401.09    399.247  490.817    343.918  47.760  8.0011  28.039  9.5038  19.72101       12.42340  
1 1 1 -13 76  20 o 51.299  2.7269  1450.02    150.965  1946.89    499.866  1400.15    158.360  55.679  8.5632  50.344  2.9167  5.334446       9.046287  
1 1 1 -13 76  21 o 47.061  7.2541  1355.55    357.871  1611.11    494.540  1074.61    518.523  49.391  9.5903  38.425  11.535  10.96555       15.00134  
1 1 1 -13 76  22 o 32.294  9.7878  713.378    372.008  718.903    474.801  704.593    598.675  31.800  11.151  31.464  12.235  0.3365440      16.55415  
1 1 1 -13 77  1  o 106.138 2.9787  6131.72    342.432  6125.23    481.786  6138.35    486.798  105.818 4.2036  105.921 4.2432  -0.1031952     5.972889  
1 1 1 -13 77  2  o 60.473  3.2107  1997.64    209.540  2130.19    298.775  1869.33    293.953  62.209  4.4639  58.203  4.7032  4.006969       6.484316  
1 1 1 -13 77  3  o 56.724  3.2111  1758.35    196.476  1899.84    286.728  1633.11    269.767  58.712  4.5443  54.392  4.6229  4.319958       6.482439  
1 1 1 -13 77  4  o 67.187  3.9058  2474.41    282.999  2637.32    331.861  2040.13    541.833  69.249  4.4481  59.556  8.6530  9.692604       9.729308  
1 1 1 -13 77  5  f 111.695 4.0785  6823.11    493.401  6533.46    697.686  7112.91    697.864  108.546 5.9572  113.523 5.6756  -4.977837      8.228073  
1 1 1 -13 77  6  o 59.943  3.4948  1966.93    225.917  1978.83    312.119  1953.82    327.421  59.830  4.8584  59.376  5.1420  0.4538498      7.074203  
1 1 1 -13 77  7  o 26.987  6.3641  420.227    182.997  550.134    248.717  266.894    270.212  30.732  7.5310  23.322  8.3884  7.409328       11.27302  
1 1 1 -13 77  8  f 116.125 3.1075  7349.73    390.847  7019.81    552.411  7680.43    553.073  113.090 4.5099  118.358 4.3143  -5.268799      6.241217  
1 1 1 -13 77  9  o 137.730 3.2836  10349.56   489.842  10352.42   691.190  10346.68   694.303  137.240 4.6499  137.192 4.6725  0.4789734E-01  6.591972  
1 1 1 -13 77  10 o 132.984 3.2459  9649.35    467.529  9463.02    658.429  9838.84    663.976  131.185 4.6340  133.787 4.5821  -2.602097      6.516891  
1 1 1 -13 77  11 o 50.103  3.9924  1384.30    214.853  1219.35    297.578  1563.92    310.532  46.449  6.0593  52.868  5.5037  -6.418644      8.185697  
1 1 1 -13 77  12 o 38.574  4.9472  834.842    201.930  798.884    300.804  864.339    272.443  36.862  7.7786  38.721  6.7411  -1.858944      10.29314  
1 1 1 -13 77  13 o 75.582  3.3282  3125.77    272.459  3053.68    397.248  3189.81    374.397  74.081  4.9799  75.876  4.5771  -1.795708      6.763807  
1 1 1 -13 77  14 o 74.854  3.5169  3075.53    285.128  2684.03    399.225  3483.16    407.362  69.124  5.3746  79.080  4.7784  -9.956001      7.191644  
1 1 1 -13 77  15 o 39.133  7.7235  918.008    315.739  1155.14    426.248  629.702    469.994  43.128  9.3911  32.050  11.103  11.07802       14.54166  
1 1 1 -13 77  16 o 26.475  8.6881  418.723    287.814  818.303    432.808  101.932    385.371  35.494  10.513  21.947  9.3166  13.54676       14.04692  
1 1 1 -13 77  17 o 43.525  2.2809  1037.04    107.151  1564.90    340.613  979.066    112.883  51.927  6.1774  42.246  2.4779  9.681194       6.655803  
1 1 1 -13 77  18 o 32.907  6.7342  650.483    231.930  427.958    377.988  784.851    293.723  27.033  9.8917  35.686  7.8157  -8.652498      12.60678  
1 1 1 -13 77  19 o 37.787  7.3492  872.372    289.955  402.321    481.007  1140.67    363.404  27.307  10.860  42.838  8.1297  -15.53121      13.56594  
1 1 1 -13 77  20 o 51.014  7.2412  1580.10    388.870  2128.87    581.700  1136.71    522.880  57.008  9.7725  39.870  11.484  17.13846       15.07909  
1 1 1 -13 77  21 o 41.447  8.0956  1089.06    350.384  1022.83    482.568  1162.91    509.571  37.732  11.080  40.126  11.264  -2.394836      15.79986  
1 1 1 -13 77  22 o 25.367  9.2898  394.656    333.489  436.147    460.975  349.098    483.049  26.986  10.663  25.900  10.669  1.085440       15.08410  
1 1 1 -13 78  1  o 116.314 3.0217  7366.55    380.672  7185.39    531.419  7557.49    545.561  114.563 4.2828  117.490 4.2872  -2.927635      6.059862  
1 1 1 -13 78  2  o 13.025  5.5848  -5.0403    140.985  31.569     205.541  -37.5685   193.748  16.411  6.8761  14.647  6.4112  1.763939       9.401322  
1 1 1 -13 78  3  o 36.231  4.7992  732.720    183.693  853.753    255.482  603.181    264.306  38.784  6.2979  32.189  7.6870  6.595348       9.937428  
1 1 1 -13 78  4  o 22.226  6.4431  280.306    164.121  221.748    227.942  343.344    236.500  21.422  7.7044  24.820  7.8527  -3.397932      11.00100  
1 1 1 -13 78  5  o 67.629  5.1156  2531.10    371.938  2540.81    505.789  2519.67    548.844  67.119  7.0636  66.568  7.7578  0.5508347      10.49179  
1 1 1 -13 78  6  o 81.591  3.1532  3628.30    278.649  3651.60    387.124  3603.25    401.402  81.491  4.4023  80.892  4.6005  0.5992050      6.367481  
1 1 1 -13 78  7  o 62.422  2.0272  2115.93    137.059  1960.96    193.330  2272.52    194.335  59.997  2.9751  64.612  2.7769  -4.615116      4.069685  
1 1 1 -13 78  8  o 113.946 3.1832  7080.33    392.858  7098.21    547.460  7061.35    564.084  113.717 4.4449  113.369 4.5939  0.3474655      6.392214  
1 1 1 -13 78  9  o 60.421  3.4343  1999.81    223.823  2047.25    306.727  1945.79    327.345  60.840  4.6909  59.175  5.1590  1.665276       6.972761  
1 1 1 -13 78  10 o 24.940  6.4860  360.195    176.853  251.490    256.949  458.048    243.786  22.629  8.1745  28.013  7.7652  -5.384859      11.27479  
1 1 1 -13 78  11 o 98.525  3.1014  5298.37    330.955  5262.13    470.603  5333.83    465.520  97.786  4.4433  98.478  4.3645  -0.6914902     6.228280  
1 1 1 -13 78  12 o 80.151  3.2626  3512.52    283.236  3677.67    395.263  3338.23    406.068  81.550  4.4923  77.547  4.8592  4.003036       6.617602  
1 1 1 -13 78  13 o 26.277  6.8913  406.555    198.553  416.609    263.059  393.244    302.687  26.680  8.2579  26.384  8.9161  0.2959595      12.15278  
1 1 1 -13 78  14 o 17.449  7.4549  23.204     249.605  242.442    366.469  -166.5146  340.905  24.049  9.5062  17.612  8.0397  6.436903       12.45009  
1 1 1 -13 78  15 o 41.677  6.1861  1008.84    270.770  659.797    364.045  1441.02    405.090  32.380  9.6531  49.021  7.8978  -16.64098      12.47229  
1 1 1 -13 78  16 o 21.537  7.4451  256.473    211.292  278.845    295.493  233.066    302.246  23.296  8.7053  22.463  8.7050  0.8321400      12.31095  
1 1 1 -13 78  17 o 23.392  1.0474  296.844    26.537   -84.1845   344.641  299.116    26.616   18.419  8.2772  23.481  1.0465  -5.061625      8.343121  
1 1 1 -13 78  18 o 40.047  5.3555  925.529    226.476  936.068    335.587  916.715    306.903  38.763  8.2466  38.725  7.5885  0.3764343E-01  11.20677  
1 1 1 -13 78  19 o 23.890  7.8095  344.290    232.626  241.892    355.736  420.792    307.480  23.125  9.2910  26.174  8.9851  -3.049385      12.92494  
1 1 1 -13 78  20 o 16.394  7.4679  -108.9755  292.214  -172.5024  386.300  -24.0033   446.770  18.197  8.3986  21.048  9.4439  -2.851374      12.63816  
1 1 1 -13 78  21 o 44.756  7.5850  1243.22    354.558  1439.54    491.009  1029.32    512.525  46.050  10.121  37.523  11.512  8.526680       15.32825  
1 1 1 -13 79  1  o 81.910  2.9334  3653.12    260.237  3572.77    366.338  3734.96    369.747  80.668  4.2075  82.498  4.1513  -1.830383      5.910666  
1 1 1 -13 79  2  o 108.945 2.9881  6464.00    352.591  6690.95    489.106  6218.45    508.753  110.572 4.0840  106.504 4.4103  4.067986       6.010843  
1 1 1 -13 79  3  o 115.147 3.1005  7224.32    386.688  7190.07    545.003  7259.05    548.734  114.523 4.3938  115.068 4.4029  -0.5451584     6.220182  
1 1 1 -13 79  4  o 78.703  3.1118  3375.45    265.261  3702.59    370.437  3031.16    380.017  82.121  4.1786  74.127  4.7583  7.993484       6.332619  
1 1 1 -13 79  5  o 86.313  4.6925  4104.63    437.038  3950.90    600.907  4277.27    636.782  83.953  6.6632  87.316  6.7866  -3.363228      9.510871  
1 1 1 -13 79  6  o 22.899  6.4911  299.833    168.374  397.426    250.029  218.851    227.759  26.390  8.0300  21.308  7.6963  5.082684       11.12273  
1 1 1 -13 79  7  o 63.310  3.4993  2195.36    239.016  2167.41    328.306  2226.89    348.649  62.572  4.8830  63.360  5.1243  -0.7885437     7.078259  
1 1 1 -13 79  8  o 117.864 3.1940  7577.43    407.749  7163.34    573.022  8002.15    580.335  114.148 4.6348  120.721 4.4384  -6.573151      6.417221  
1 1 1 -13 79  9  o 162.491 3.5437  14433.03   623.679  14506.92   884.537  14359.98   879.517  162.138 5.0369  161.317 5.0338  0.8213959      7.121028  
1 1 1 -13 79  10 o 67.232  3.4170  2477.17    248.005  2594.05    347.192  2355.40    354.382  68.444  4.7121  65.092  5.0665  3.351974       6.919061  
1 1 1 -13 79  11 o 18.127  6.9583  132.113    191.770  59.313     276.067  199.999    266.588  19.044  7.9735  21.552  8.2205  -2.507671      11.45220  
1 1 1 -13 79  12 o 25.592  6.9338  384.342    196.974  406.541    289.208  365.134    269.013  26.627  8.7078  25.412  8.4025  1.214739       12.10072  
1 1 1 -13 79  13 o 61.838  5.0043  2143.35    332.300  2056.21    482.186  2222.17    458.588  59.234  7.6977  62.032  6.9447  -2.797924      10.36747  
1 1 1 -13 79  14 o 40.397  6.7633  958.206    285.460  1015.05    361.401  863.912    465.468  40.782  8.4593  36.541  10.920  4.240463       13.81341  
1 1 1 -13 79  15 o 55.917  2.7352  1711.77    165.656  2011.00    394.232  1647.60    182.555  58.998  6.2653  54.693  3.0944  4.304871       6.987782  
1 1 1 -13 79  16 o 43.593  5.0260  1081.45    232.961  967.870    355.664  1166.80    308.302  39.500  8.5605  44.572  6.5845  -5.071987      10.79985  
1 1 1 -13 79  17 o 52.298  4.3305  1537.14    243.094  1452.00    361.678  1607.30    328.314  49.458  6.9429  52.722  5.8480  -3.263348      9.077623  
1 1 1 -13 79  18 f 20.638  7.9579  201.452    251.617  450.117    418.118  60.271     315.049  27.591  10.346  19.469  8.3480  8.121616       13.29431  
1 1 1 -13 79  19 o 25.441  9.1018  387.994    317.727  306.529    436.236  480.034    463.688  25.203  10.231  28.185  10.820  -2.982040      14.89118  
1 1 1 -13 79  20 f 27.946  9.2640  506.402    326.925  523.932    451.134  487.016    474.428  28.576  10.741  28.088  10.900  0.4879551      15.30301  
1 1 1 -13 79  21 o 24.991  9.0350  379.042    313.982  524.055    417.637  190.528    476.174  28.370  10.395  23.867  10.249  4.502996       14.59809  
1 1 1 -13 80  1  o 66.742  3.1195  2427.83    225.505  2407.58    314.410  2449.29    323.615  66.110  4.4163  66.659  4.5088  -0.5491104     6.311344  
1 1 1 -13 80  2  o 71.155  3.1371  2759.70    241.771  2736.27    339.436  2783.83    344.452  70.483  4.4695  71.088  4.4968  -0.6051331     6.340138  
1 1 1 -13 80  3  o 56.120  3.4433  1725.30    208.285  2024.80    291.502  1412.91    297.715  60.588  4.4738  50.279  5.5600  10.30846       7.136369  
1 1 1 -13 80  4  o 52.831  3.6960  1532.59    210.160  1505.11    283.033  1566.35    313.759  52.035  5.0870  52.966  5.5518  -0.9306679     7.529947  
1 1 1 -13 80  5  o 78.609  3.7458  3378.30    318.928  3400.74    376.546  3321.37    599.917  78.600  4.4413  76.626  7.3174  1.974373       8.559769  
1 1 1 -13 80  6  o 47.297  4.1503  1234.87    210.463  1293.35    293.901  1173.32    301.524  48.003  5.7683  45.541  6.2800  2.462078       8.527103  
1 1 1 -13 80  7  o 100.767 3.1112  5536.84    339.557  5237.91    477.740  5842.02    482.712  97.640  4.5175  103.180 4.3194  -5.540382      6.250161  
1 1 1 -13 80  8  o 139.552 3.3367  10635.06   504.332  10091.69   705.964  11201.41   720.732  135.331 4.8163  142.654 4.6647  -7.322754      6.704921  
1 1 1 -13 80  9  o 35.081  5.5291  698.183    203.128  810.143    279.311  572.493    295.943  37.349  7.1653  31.092  8.5305  6.256666       11.14054  
1 1 1 -13 80  10 o 62.952  2.6317  2159.15    179.441  2093.63    338.898  2184.67    211.524  61.267  5.1550  63.251  3.0876  -1.984013      6.008913  
1 1 1 -13 80  11 o 54.462  2.4093  1615.43    142.117  1480.47    311.842  1650.81    159.661  51.182  5.7233  55.018  2.6793  -3.836060      6.319443  
1 1 1 -13 80  12 o 23.916  8.4976  304.429    276.490  166.514    377.642  463.771    405.919  23.109  9.4660  28.779  10.289  -5.669846      13.98072  
1 1 1 -13 80  13 o 58.421  5.1642  1924.65    323.408  2187.11    471.022  1690.56    444.835  61.186  7.2484  53.320  7.9453  7.866249       10.75483  
1 1 1 -13 80  14 o 50.896  4.9039  1462.39    266.984  1378.31    342.325  1592.93    426.568  48.574  6.6839  51.581  7.8858  -3.007374      10.33734  
1 1 1 -13 80  15 o 25.833  7.6981  402.056    231.552  140.802    340.045  627.932    316.183  21.562  8.9231  31.699  8.8635  -10.13708      12.57713  
1 1 1 -13 80  16 o 64.105  3.9965  2290.40    276.107  2406.31    396.317  2181.07    384.882  64.782  5.7066  61.574  5.8410  3.207584       8.165962  
1 1 1 -13 80  17 o 51.736  4.5376  1511.15    251.699  1644.17    391.959  1417.80    328.343  52.537  7.0674  49.190  6.3082  3.347630       9.473238  
1 1 1 -13 80  18 o 26.705  7.6952  442.303    234.741  938.603    363.321  86.670     307.553  38.233  8.9344  19.663  8.3336  18.57059       12.21772  
1 1 1 -13 80  19 o 36.285  7.9301  827.180    302.953  816.421    390.713  843.402    479.745  34.830  9.8932  34.625  11.209  0.2054710      14.95026  
1 1 1 -13 80  20 o 42.317  7.2163  1097.28    318.888  910.052    411.123  1380.05    505.240  36.506  10.070  44.752  10.589  -8.246288      14.61278  
1 1 1 -13 81  1  o 104.242 2.9848  5920.19    336.997  5787.29    472.318  6058.01    480.971  102.752 4.2440  105.133 4.2239  -2.381813      5.987700  
1 1 1 -13 81  2  o 50.556  3.5215  1402.36    191.626  1332.02    268.394  1475.49    273.682  48.904  5.1442  51.544  4.9637  -2.639423      7.148479  
1 1 1 -13 81  3  o 91.455  3.0954  4558.98    306.609  4802.86    431.709  4310.75    435.539  93.599  4.2584  88.484  4.5601  5.115585       6.239274  
1 1 1 -13 81  4  o 156.521 3.9283  13408.21   665.961  13989.02   1164.18  13125.70   811.926  158.230 6.7930  154.437 4.8540  3.793610       8.348967  
1 1 1 -13 81  5  o 123.973 3.1674  8382.01    425.303  8661.19    597.544  8095.38    605.472  125.615 4.3920  121.362 4.6062  4.253540       6.364458  
1 1 1 -13 81  6  o 100.453 3.1289  5503.82    340.433  5346.07    477.850  5666.42    485.123  98.638  4.4728  101.571 4.4097  -2.932823      6.281040  
1 1 1 -13 81  7  o 178.405 3.7289  17420.95   720.548  17627.38   1014.99  17211.21   1023.08  178.536 5.2489  176.340 5.3566  2.195892       7.499578  
1 1 1 -13 81  8  o 186.276 4.0131  19037.53   809.678  18496.49   1090.16  19703.17   1209.19  182.565 5.5132  188.064 5.9363  -5.499466      8.101538  
1 1 1 -13 81  9  o 59.506  3.7319  1948.36    239.309  1955.90    355.457  1942.10    323.643  59.037  5.6270  59.005  5.1148  0.3221893E-01  7.604231  
1 1 1 -13 81  10 o 18.951  7.1125  159.774    197.667  299.427    278.928  18.883     280.162  23.953  8.5323  18.433  7.8872  5.519907       11.61931  
1 1 1 -13 81  11 f 41.339  6.3666  985.668    275.910  1181.94    412.765  827.139    370.964  44.186  8.9320  36.696  9.3167  7.489822       12.90660  
1 1 1 -13 81  12 o 60.897  4.7344  2075.45    309.817  1861.68    429.696  2306.90    447.118  56.486  7.1861  63.281  6.6216  -6.794254      9.771643  
1 1 1 -13 81  13 o 33.922  6.6331  679.773    234.974  554.235    277.897  994.638    440.106  30.089  8.2709  39.401  10.224  -9.311687      13.15093  
1 1 1 -13 81  14 o 48.344  4.8204  1319.55    249.038  1084.73    360.827  1533.16    344.151  42.211  8.1878  51.436  6.3098  -9.225739      10.33697  
1 1 1 -13 81  15 o 13.553  6.1154  -78.4019   190.385  -114.1127  265.964  -40.8728   272.651  15.769  7.1605  16.989  7.5144  -1.220200      10.37976  
1 1 1 -13 81  16 o 17.438  6.9736  108.308    199.387  10.818     279.794  208.900    284.209  17.911  7.7741  21.534  8.4142  -3.622530      11.45583  
1 1 1 -13 81  17 o 48.873  5.0912  1366.18    265.543  1418.94    407.394  1327.21    350.144  47.973  8.1310  47.042  7.0926  0.9312096      10.78971  
1 1 1 -13 81  18 o 18.481  8.0519  19.865     302.435  -628.5011  422.328  702.354    433.298  15.655  7.6370  32.251  10.664  -16.59650      13.11646  
1 1 1 -13 81  19 o 27.473  9.2173  482.543    323.456  74.928     447.895  926.844    467.615  22.181  9.7273  36.276  10.969  -14.09513      14.66085  
1 1 1 -13 81  20 o 25.691  9.2381  404.023    327.710  291.263    454.528  526.095    472.922  25.002  10.329  28.737  10.952  -3.735395      15.05424  
1 1 1 -13 82  1  o 60.803  3.2996  2023.44    216.485  1867.89    304.003  2183.49    308.357  58.044  4.8809  62.875  4.5589  -4.831688      6.678884  
1 1 1 -13 82  2  o 86.604  3.0262  4088.32    283.862  4109.14    395.829  4066.28    407.302  86.558  4.2221  85.955  4.3896  0.6033249      6.090549  
1 1 1 -13 82  3  o 110.530 3.0287  6659.89    362.582  6601.67    511.064  6718.88    514.490  109.679 4.3021  110.652 4.2929  -0.9725266     6.077570  
1 1 1 -13 82  4  o 29.801  8.7457  519.334    300.745  601.514    406.121  419.544    447.523  32.162  10.303  29.028  10.740  3.134233       14.88225  
1 1 1 -13 82  5  o 41.479  4.4732  956.320    197.782  1111.00    271.960  782.667    288.155  44.385  5.7955  36.632  7.5147  7.753189       9.489943  
1 1 1 -13 82  6  o 65.817  3.4873  2374.94    247.708  2354.36    346.727  2396.39    354.010  65.129  4.9524  65.691  5.0134  -0.5621338     7.046998  
1 1 1 -13 82  7  o 40.639  2.4173  901.855    105.919  1366.03    271.929  818.837    115.001  49.432  5.1549  38.665  2.7643  10.76631       5.849263  
1 1 1 -13 82  8  o 97.097  3.1573  5151.04    332.039  5049.10    459.126  5262.81    480.770  95.724  4.4283  97.684  4.5440  -1.960411      6.344955  
1 1 1 -13 82  9  o 49.404  4.2902  1355.28    227.289  1449.93    317.544  1255.85    325.473  50.574  5.9083  46.761  6.6106  3.813683       8.866156  
1 1 1 -13 82  10 o 22.436  7.9842  262.343    244.182  562.596    375.981  43.315     321.123  30.653  9.9227  19.893  8.4761  10.76022       13.05012  
1 1 1 -13 82  11 o 53.660  5.6917  1636.60    325.749  1398.01    453.917  1889.95    467.751  47.865  9.0880  56.581  7.8437  -8.715687      12.00479  
1 1 1 -13 82  12 o 47.700  5.2593  1291.26    267.199  1151.88    326.982  1571.38    463.562  44.229  7.0634  50.825  8.7358  -6.596443      11.23411  
1 1 1 -13 82  13 o 18.255  1.6341  182.581    31.968   119.661    292.524  183.341    32.161   20.203  8.3098  18.293  1.6407  1.909981       8.470200  
1 1 1 -13 82  14 o 69.035  3.6382  2638.48    271.075  2624.15    391.666  2651.66    375.556  67.991  5.3621  68.499  5.0985  -0.5073090     7.399098  
1 1 1 -13 82  15 o 36.917  6.1769  799.872    238.255  755.805    340.303  842.241    333.681  34.557  9.0021  36.735  8.5472  -2.178608      12.41339  
1 1 1 -13 82  16 o 48.540  4.7137  1335.53    244.694  1305.32    364.618  1360.28    330.056  46.482  7.4976  48.062  6.5078  -1.580242      9.927964  
1 1 1 -13 82  17 o 88.863  4.6814  4460.83    448.991  5006.52    646.926  3953.71    623.651  92.419  6.5043  81.457  7.1408  10.96181       9.659025  
1 1 1 -13 82  18 o 26.253  9.0642  425.844    313.136  687.577    385.884  -78.8363   535.839  32.063  10.014  22.277  10.134  9.786243       14.24745  
1 1 1 -13 82  19 o 37.803  7.8396  894.788    310.459  918.632    401.978  859.539    488.741  36.936  9.8625  34.806  11.317  2.130276       15.01128  
1 1 1 -13 83  1  o 90.890  2.9976  4504.85    295.091  4681.99    419.734  4331.73    414.950  92.355  4.1961  88.799  4.3144  3.555702       6.018387  
1 1 1 -13 83  2  o 75.477  2.6238  3101.58    214.497  2980.35    264.000  3337.05    367.934  73.874  3.2995  77.803  4.3841  -3.929504      5.486926  
1 1 1 -13 83  3  o 87.602  3.0446  4186.03    288.875  3999.09    407.020  4375.77    410.060  85.173  4.4274  89.263  4.2414  -4.090668      6.131123  
1 1 1 -13 83  4  o 146.680 4.8906  11873.59   776.977  11272.54   1089.40  12495.87   1108.47  141.273 7.1429  149.130 6.8626  -7.856781      9.905334  
1 1 1 -13 83  5  o 158.305 3.5266  13710.50   604.674  13730.15   852.004  13690.56   858.306  157.620 4.9907  157.364 5.0358  0.2560425      7.089855  
1 1 1 -13 83  6  o 103.885 3.1770  5895.43    357.476  6020.44    503.075  5767.93    508.057  104.550 4.4426  102.278 4.5863  2.272316       6.385202  
1 1 1 -13 83  7  o 35.646  5.4074  721.218    202.217  933.198    278.324  484.201    294.301  40.242  6.6155  28.690  8.7080  11.55254       10.93592  
1 1 1 -13 83  8  o 31.531  5.7537  571.968    189.257  632.237    273.568  516.645    262.100  32.567  7.8481  29.447  8.0068  3.119389       11.21166  
1 1 1 -13 83  9  o 25.326  8.4052  364.812    269.097  377.190    382.550  352.688    378.603  26.890  9.9333  26.376  9.8543  0.5144577      13.99209  
1 1 1 -13 83  10 f 32.134  7.6280  620.013    261.514  854.455    342.238  291.036    405.408  37.424  8.6208  25.532  10.028  11.89253       13.22436  
1 1 1 -13 83  11 o 38.801  5.5042  862.260    224.829  779.137    282.880  1004.82    370.462  36.062  7.4874  40.476  8.7085  -4.414436      11.48473  
1 1 1 -13 83  12 o 42.361  5.0746  1018.65    228.196  1119.42    319.462  913.670    326.075  43.589  7.0038  38.822  8.0202  4.767330       10.64783  
1 1 1 -13 83  13 o 31.859  2.0037  554.995    68.790   849.829    313.172  540.048    70.512   37.351  7.9833  31.413  2.0843  5.938459       8.250860  
1 1 1 -13 83  14 o 71.467  3.7103  2831.96    286.209  2550.25    426.445  3062.86    386.079  66.584  5.9768  73.725  4.8623  -7.140823      7.704816  
1 1 1 -13 83  15 o 57.002  4.0308  1814.86    247.253  2016.06    352.639  1620.30    346.772  59.309  5.5543  52.775  6.1839  6.534050       8.312100  
1 1 1 -13 83  16 o 21.165  7.7830  235.556    234.422  575.613    343.128  -62.0948   321.021  29.983  9.4557  17.958  8.0349  12.02441       12.40849  
1 1 1 -13 83  17 o 49.725  6.0681  1448.95    320.031  1751.90    452.374  1145.41    452.812  53.275  8.0944  41.400  10.171  11.87519       12.99913  
1 1 1 -13 83  18 o 39.596  8.3264  992.870    345.767  785.205    508.540  1171.41    471.531  33.429  11.551  41.394  10.501  -7.964504      15.61045  
1 1 1 -13 83  19 o 22.535  9.1736  218.607    351.912  246.973    457.250  177.394    551.161  24.519  10.263  24.956  10.871  -0.4373093     14.95072  
1 1 1 -13 84  1  o 78.183  3.0874  3336.81    261.442  3423.34    367.635  3248.28    371.872  78.776  4.3253  76.672  4.4977  2.103760       6.240004  
1 1 1 -13 84  2  o 35.115  4.8033  692.572    177.897  410.579    254.690  961.217    248.590  26.641  8.1041  41.205  5.7248  -14.56325      9.922225  
1 1 1 -13 84  3  o 68.657  3.2367  2575.60    240.687  3063.32    340.158  2086.59    340.608  74.527  4.2315  61.167  5.1902  13.35963       6.696512  
1 1 1 -13 84  4  o 19.935  8.2403  88.523     289.513  111.191    392.053  61.338     429.349  22.826  9.5247  22.974  9.7954  -0.1482296     13.66268  
1 1 1 -13 84  5  o 68.799  3.3217  2589.32    247.522  2720.39    344.229  2449.00    356.175  70.069  4.5606  66.316  4.9955  3.752953       6.764148  
1 1 1 -13 84  6  o 12.376  2.4987  86.428     32.341   86.079     32.584   109.636    265.653  12.348  2.5216  19.619  7.9767  -7.271594      8.365826  
1 1 1 -13 84  7  o 48.513  4.0412  1304.61    210.415  1324.29    307.685  1287.32    288.394  48.222  6.0223  47.656  5.7004  0.5666466      8.292342  
1 1 1 -13 84  8  f 61.319  5.0251  2106.57    330.812  2458.76    469.579  1759.56    466.118  65.454  6.7190  54.550  8.1381  10.90381       10.55341  
1 1 1 -13 84  9  o 18.185  7.4711  85.079     236.106  223.324    377.557  -3.7041    302.568  23.920  9.5853  18.588  8.0762  5.331343       12.53409  
1 1 1 -13 84  10 o 50.172  5.2117  1424.67    279.079  1403.48    355.389  1458.76    450.750  49.035  6.8810  48.934  8.8295  0.1009789      11.19407  
1 1 1 -13 84  11 o 61.779  3.8425  2115.56    255.840  2295.73    360.884  1933.53    362.747  63.734  5.2753  58.185  5.8346  5.548882       7.865891  
1 1 1 -13 84  12 o 32.412  5.8961  612.577    199.361  554.856    279.587  672.282    284.351  30.062  8.3094  33.166  8.0067  -3.103554      11.53921  
1 1 1 -13 84  13 o 38.739  5.1337  857.576    210.097  796.486    293.937  921.388    300.413  36.192  7.7332  39.187  7.3479  -2.994827      10.66743  
1 1 1 -13 84  14 o 31.696  6.7021  601.265    222.893  718.644    306.550  469.603    324.665  33.966  8.3836  27.733  9.2337  6.233006       12.47180  
1 1 1 -13 84  15 o 31.994  7.2857  624.807    246.818  1592.32    436.180  169.089    299.354  50.959  8.1793  21.017  8.4951  29.94232       11.79273  
1 1 1 -13 84  16 o 48.462  6.3434  1382.99    324.964  1255.64    476.745  1493.51    444.125  43.440  10.291  48.756  8.7309  -5.315498      13.49554  
1 1 1 -13 84  17 o 43.931  7.9230  1196.86    363.122  882.787    513.501  1511.02    513.564  35.314  11.606  47.552  10.272  -12.23826      15.49832  
1 1 1 -13 84  18 o 51.826  6.2193  1583.90    342.138  1727.79    468.589  1419.60    500.719  52.378  8.5552  45.919  10.319  6.459099       13.40430  
1 1 1 -13 85  1  o 74.360  2.5016  3012.22    201.480  3141.30    248.259  2763.14    344.852  75.834  3.0225  70.608  4.5332  5.225174       5.448475  
1 1 1 -13 85  2  o 31.130  5.5558  555.004    180.452  487.023    250.100  628.825    260.620  28.679  7.8311  32.607  7.5314  -3.927677      10.86499  
1 1 1 -13 85  3  o 71.109  3.2250  2765.85    248.386  2726.41    350.901  2805.47    351.641  70.082  4.6492  71.117  4.5897  -1.034836      6.533000  
1 1 1 -13 85  4  o 20.208  6.6208  224.267    167.164  210.190    226.051  241.254    248.326  20.863  7.6472  22.055  8.0256  -1.192051      11.08553  
1 1 1 -13 85  5  f 51.912  3.9536  1491.02    220.620  1415.55    310.278  1568.19    313.759  49.951  5.8456  52.707  5.5810  -2.756035      8.081965  
1 1 1 -13 85  6  o 29.992  6.3660  525.945    200.399  653.336    282.672  397.221    284.147  32.992  7.9943  26.277  8.6331  6.714823       11.76604  
1 1 1 -13 85  7  o 62.943  4.9755  2219.36    336.434  2060.44    488.014  2363.30    464.441  59.238  7.7954  64.070  6.7965  -4.832256      10.34218  
1 1 1 -13 85  8  f 50.842  4.9878  1455.35    271.123  1923.11    387.076  1004.82    379.877  57.910  6.2715  40.479  8.9063  17.43103       10.89283  
1 1 1 -13 85  9  o 36.408  6.3373  773.437    240.827  904.551    299.562  533.851    404.941  38.998  7.3619  29.886  10.308  9.112202       12.66720  
1 1 1 -13 85  10 o 30.417  6.4116  545.772    204.569  334.622    302.960  722.725    277.344  24.765  8.8848  34.643  7.6004  -9.878105      11.69211  
1 1 1 -13 85  11 o 27.922  6.7759  465.503    202.838  567.938    302.167  381.486    273.659  30.349  8.7265  25.537  8.4762  4.812531       12.16543  
1 1 1 -13 85  12 o 14.017  6.3376  -88.4230   205.689  -79.5711   290.778  -97.2884   290.999  17.039  7.6336  16.813  7.5759  0.2253990      10.75478  
1 1 1 -13 85  13 o 83.835  3.3766  3873.27    306.600  4339.18    443.526  3446.87    424.308  87.928  4.6739  78.116  5.0419  9.812195       6.875082  
1 1 1 -13 85  14 o 49.847  2.3945  1358.44    129.275  1434.19    376.671  1348.33    137.635  48.924  7.3345  49.560  2.5729  -0.6367455     7.772667  
1 1 1 -13 85  15 o 36.560  8.4811  841.523    329.333  978.828    450.493  683.905    482.665  38.185  10.545  32.162  11.245  6.022957       15.41562  
1 1 1 -13 85  16 o 31.860  7.9577  636.472    273.792  954.117    373.901  269.237    402.028  38.444  9.1177  24.309  9.8381  14.13473       13.41347  
1 1 1 -13 85  17 o 17.857  7.9450  -37.4356   309.198  -238.6596  465.377  121.590    413.712  19.517  9.0802  22.294  9.5630  -2.776861      13.18716  
1 1 1 -13 85  18 o 42.180  8.6831  1134.27    383.470  949.390    521.764  1351.42    565.487  36.429  11.678  43.475  11.736  -7.045811      16.55636  
1 1 1 -13 86  1  o 29.995  5.7541  519.587    180.138  480.987    258.908  555.806    250.793  28.414  8.0474  30.539  7.6097  -2.125015      11.07554  
1 1 1 -13 86  2  o 15.280  6.2189  59.218     161.674  164.125    236.473  -32.8571   221.539  19.955  7.7090  15.626  6.8473  4.328917       10.31093  
1 1 1 -13 86  3  o 60.908  5.6133  2093.02    366.144  2427.84    516.213  1754.03    519.413  64.662  7.5106  53.928  9.2242  10.73432       11.89517  
1 1 1 -13 86  4  o 44.195  2.0119  1062.50    96.304   1076.60    102.377  954.121    283.832  44.475  2.1253  40.519  6.7016  3.956089       7.030554  
1 1 1 -13 86  5  o 95.253  3.2058  4971.60    330.738  5088.86    465.641  4852.21    469.857  95.835  4.4860  93.506  4.6393  2.328270       6.453472  
1 1 1 -13 86  6  o 77.477  4.4348  3337.94    370.605  3685.17    524.228  2991.02    524.001  80.532  6.0544  72.072  6.7928  8.459854       9.099334  
1 1 1 -13 86  7  o 66.829  4.8749  2502.32    350.426  3160.73    509.514  1911.33    482.724  74.290  6.3945  56.711  8.0881  17.57957       10.31055  
1 1 1 -13 86  8  o 10.914  5.3088  -333.2411  199.887  -289.5093  246.997  -416.2368  340.268  13.178  6.2771  15.166  7.2629  -1.987729      9.599597  
1 1 1 -13 86  9  o 37.058  5.2537  784.214    204.965  590.568    298.051  957.956    282.317  31.013  8.5823  40.442  6.6783  -9.428732      10.87450  
1 1 1 -13 86  10 o 22.599  1.7092  279.246    41.526   320.401    268.117  278.235    42.033   23.984  8.3813  22.554  1.7339  1.430016       8.558781  
1 1 1 -13 86  11 o 52.856  4.1344  1558.98    234.803  1791.72    346.425  1361.20    319.349  55.921  5.8042  48.469  6.2272  7.451405       8.512716  
1 1 1 -13 86  12 f 40.080  5.4602  923.284    230.859  698.099    326.442  1148.58    326.526  33.357  8.8787  43.978  7.0966  -10.62125      11.36629  
1 1 1 -13 86  13 o 67.768  3.6968  2549.21    270.315  2626.53    371.112  2461.81    394.529  68.072  5.0698  65.567  5.6095  2.505287       7.561015  
1 1 1 -13 86  14 o 8.2997  2.7642  35.793     29.094   253.972    411.763  34.698     29.167   24.411  9.9286  8.2196  2.7678  16.19087       10.30712  
1 1 1 -13 86  15 o 61.580  5.3907  2175.47    355.922  2064.85    523.024  2270.88    485.741  57.581  8.6540  61.422  7.4542  -3.841263      11.42180  
1 1 1 -13 86  16 o 17.890  7.9452  -33.9027   307.862  77.953     418.892  -165.2880  453.989  21.865  9.5013  19.957  9.1722  1.907793       13.20624  
1 1 1 -13 86  17 o 21.504  8.7360  186.246    318.315  -60.4835   482.140  376.889    423.812  21.505  9.7150  26.216  10.266  -4.711359      14.13438  
1 1 1 -13 87  1  o 51.350  3.6450  1457.26    201.409  1652.83    288.501  1271.31    281.305  54.255  4.9645  47.292  5.6007  6.963261       7.484244  
1 1 1 -13 87  2  o 34.901  5.2591  694.711    192.627  762.820    271.749  625.929    273.088  35.881  7.2421  32.233  7.8868  3.648434       10.70745  
1 1 1 -13 87  3  o 15.824  7.2414  -154.8241  278.798  -56.7529   381.031  -267.8299  409.015  20.006  8.8642  18.486  8.5706  1.519836       12.33004  
1 1 1 -13 87  4  o 76.771  3.2925  3233.79    273.777  3239.40    389.064  3228.28    385.323  76.175  4.7391  76.061  4.7003  0.1132202      6.674731  
1 1 1 -13 87  5  o 77.304  4.3161  3320.43    359.938  3451.35    502.361  3182.32    515.970  77.915  5.9990  74.522  6.4563  3.392326       8.813145  
1 1 1 -13 87  6  o 39.374  6.4724  903.253    266.432  646.537    373.511  1169.19    380.161  32.260  9.8143  44.035  8.2745  -11.77555      12.83698  
1 1 1 -13 87  7  o 89.760  3.5869  4435.04    348.716  4590.00    441.559  4178.21    568.458  90.900  4.4849  85.583  6.1740  5.317329       7.631051  
1 1 1 -13 87  8  o 62.194  3.7002  2139.66    248.127  2271.00    344.782  1998.55    357.366  63.517  5.0535  59.289  5.6327  4.228024       7.567389  
1 1 1 -13 87  9  o 77.979  3.4122  3345.36    288.195  3307.96    404.289  3384.01    410.929  76.773  4.8874  77.640  4.9119  -0.8671799     6.929203  
1 1 1 -13 87  10 o 56.537  3.9837  1778.47    242.387  1801.88    356.319  1758.30    330.689  56.006  5.9658  55.518  5.5746  0.4877739      8.165017  
1 1 1 -13 87  11 o 31.769  1.7931  550.910    61.448   603.416    338.916  549.125    62.483   31.012  9.3297  31.712  1.8269  -0.7009487     9.506835  
1 1 1 -13 87  12 o 18.306  7.1039  141.449    201.512  288.178    303.478  25.737     269.500  23.534  8.8167  17.888  7.6968  5.645977       11.70361  
1 1 1 -13 87  13 o 17.565  7.4478  49.346     245.804  319.014    414.641  -96.7716   305.217  25.536  10.106  17.137  7.7369  8.398907       12.72763  
1 1 1 -13 87  14 o 24.633  8.9925  342.714    312.132  278.286    431.897  413.156    451.605  25.012  10.170  27.351  10.629  -2.339861      14.71084  
1 1 1 -13 87  15 o 13.884  6.5938  -277.5914  268.599  -163.9016  411.737  -361.8185  354.393  19.054  8.7489  15.764  7.5116  3.289162       11.53114  
1 1 1 -13 87  16 o 28.272  8.7328  506.707    294.358  342.358    373.637  775.605    477.925  25.157  9.6981  33.612  11.204  -8.455046      14.81813  
1 1 1 -13 88  1  o 40.324  2.1667  888.242    94.284   872.054    100.265  1011.91    277.132  39.927  2.3286  41.802  6.3181  -1.875046      6.733548  
1 1 1 -13 88  2  o 36.614  4.8864  759.464    188.940  787.543    275.413  734.500    259.684  36.421  7.2368  35.214  7.0544  1.206573       10.10623  
1 1 1 -13 88  3  o 80.784  4.9473  3654.61    430.793  3436.43    592.638  3899.07    627.306  76.937  7.1955  82.033  7.1312  -5.096016      10.13062  
1 1 1 -13 88  4  o 33.097  6.9348  649.128    240.634  561.962    310.703  779.782    380.392  30.326  8.8864  35.302  9.6655  -4.976591      13.12972  
1 1 1 -13 88  5  o 36.538  6.5115  780.904    248.241  686.746    340.289  888.013    362.936  33.300  9.1520  37.936  8.9735  -4.636566      12.81725  
1 1 1 -13 88  6  o 59.376  4.2301  1962.51    270.263  2064.59    340.026  1787.38    445.369  60.477  5.2429  54.982  7.6891  5.494976       9.306473  
1 1 1 -13 88  7  o 13.681  6.1596  -77.7571   191.911  -259.8620  265.067  122.865    278.217  14.122  6.6600  19.968  8.1459  -5.845916      10.52197  
1 1 1 -13 88  8  o 23.811  6.9250  335.241    189.314  298.199    278.204  367.188    258.358  23.590  8.5083  25.079  8.2316  -1.488871      11.83855  
1 1 1 -13 88  9  o 30.045  6.6926  537.870    212.205  355.225    295.164  733.274    305.299  25.055  8.7917  34.535  8.2711  -9.480133      12.07086  
1 1 1 -13 88  10 o 68.358  3.5392  2583.80    261.138  2540.50    370.061  2626.75    368.554  67.027  5.1366  68.223  5.0230  -1.196442      7.184361  
1 1 1 -13 88  11 o 24.740  7.4109  367.472    214.188  369.740    296.995  365.014    309.188  25.278  8.8218  25.284  8.9857  -0.5819321E-02 12.59237  
1 1 1 -13 88  12 o 24.056  2.5713  320.272    65.959   846.946    442.228  308.289    66.705   35.731  10.636  23.579  2.6583  12.15238       10.96354  
1 1 1 -13 88  13 o 32.479  8.2997  661.504    293.056  644.467    452.113  673.849    384.853  31.490  10.890  32.168  9.9935  -0.6782093     14.78077  
1 1 1 -13 88  14 o 14.962  7.0587  -267.6272  298.232  -520.1126  411.862  10.688     432.416  16.149  7.7989  21.417  9.4684  -5.267599      12.26679  
1 1 1 -13 88  15 f 59.770  5.2068  2044.46    333.707  1961.56    463.464  2133.70    480.883  56.777  7.7381  59.301  7.6665  -2.523567      10.89280  
1 1 1 -13 89  1  o 53.556  3.5959  1585.58    207.374  1628.59    291.006  1541.21    295.589  53.756  5.0576  52.181  5.3038  1.574905       7.328674  
1 1 1 -13 89  2  o 80.931  3.1275  3591.26    274.145  3853.71    382.876  3315.16    392.711  83.299  4.2580  77.018  4.7306  6.281067       6.364653  
1 1 1 -13 89  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 89  4  o 65.940  4.4360  2424.25    314.973  2517.09    435.991  2322.89    455.529  66.346  6.1368  63.374  6.7398  2.971954       9.115088  
1 1 1 -13 89  5  o 39.608  5.4252  896.528    226.622  922.301    285.126  852.316    373.435  39.580  6.9021  36.946  9.3300  2.633942       11.60548  
1 1 1 -13 89  6  f 47.423  4.4349  1259.87    225.152  1433.93    314.877  1077.76    322.072  49.997  5.9304  42.677  7.2255  7.319458       9.347576  
1 1 1 -13 89  7  o 38.900  5.3101  864.985    217.886  971.344    302.156  749.766    314.489  40.463  7.1564  34.913  8.4154  5.549896       11.04685  
1 1 1 -13 89  8  o 40.641  5.1309  940.537    220.820  915.121    305.469  968.356    319.583  39.061  7.4929  40.139  7.6299  -1.078609      10.69388  
1 1 1 -13 89  9  o 15.675  6.5858  38.928     189.385  204.273    281.769  -97.3164   255.775  21.528  8.3874  15.683  7.0813  5.844565       10.97696  
1 1 1 -13 89  10 o 22.180  8.0152  263.054    247.066  -95.7957   417.151  456.949    306.634  20.146  9.0747  27.413  8.9663  -7.267658      12.75714  
1 1 1 -13 89  11 o 33.144  7.0495  662.496    245.284  811.363    447.763  598.670    293.189  35.009  10.764  30.945  8.4909  4.063951       13.70945  
1 1 1 -13 89  12 o 29.015  8.5140  526.478    285.035  730.792    374.560  245.368    439.349  33.555  9.7353  24.732  10.180  8.822807       14.08559  
1 1 1 -13 89  13 o 19.973  8.1370  140.654    277.146  115.400    435.866  157.794    359.085  22.801  9.7992  21.960  9.1353  0.8411827      13.39696  
1 1 1 -13 89  14 o 22.207  8.2125  263.066    261.636  573.632    363.762  -69.7906   376.590  29.877  9.7656  19.261  8.6543  10.61593       13.04850  
1 1 1 -13 89  15 o 20.219  8.4886  110.099    314.277  271.152    434.703  -66.2628   454.893  24.837  10.163  21.009  9.4687  3.828493       13.89038  
1 1 1 -13 90  1  o 15.648  6.4061  61.276     172.833  -47.2517   267.745  138.801    226.295  16.850  7.4500  18.997  7.4825  -2.146574      10.55892  
1 1 1 -13 90  2  o 55.561  6.5627  1786.31    387.311  1786.31    387.311  0.0000     0.0000   55.561  6.5627  ?       ?       0.000000       6.562742  
1 1 1 -13 90  3  o 41.291  6.1914  987.862    268.355  1306.81    407.420  743.451    356.650  46.463  8.4052  34.495  9.3237  11.96871       12.55304  
1 1 1 -13 90  4  o 3.7387  1.8814  -107.0321  34.526   -103.8560  34.756   -344.2740  300.384  3.8045  1.9109  14.498  6.9104  -10.69396      7.169718  
1 1 1 -13 90  5  o 69.328  3.4931  2652.84    261.453  2685.24    364.804  2618.61    374.903  69.128  4.9041  68.153  5.1162  0.9755630      7.087018  
1 1 1 -13 90  6  o 73.566  2.7728  2962.10    220.935  3260.96    385.281  2815.68    269.681  76.315  4.6838  71.507  3.4820  4.807991       5.836324  
1 1 1 -13 90  7  o 39.486  1.8284  848.365    78.193   568.759    290.408  870.221    81.192   30.370  8.4955  39.986  1.8747  -9.615931      8.699884  
1 1 1 -13 90  8  o 68.147  2.6362  2540.82    194.582  2444.91    369.666  2577.57    228.852  65.689  5.2393  68.510  3.0841  -2.821228      6.079637  
1 1 1 -13 90  9  o 37.931  6.1144  840.701    242.656  1174.84    441.404  695.985    290.488  42.903  9.7238  33.603  8.0806  9.299400       12.64306  
1 1 1 -13 90  10 o 45.166  5.7147  1177.42    273.305  1244.76    463.935  1141.62    338.224  43.912  9.9807  43.578  7.4325  0.3347168      12.44415  
1 1 1 -13 90  11 o 26.331  9.0164  415.449    309.574  566.720    449.589  279.061    426.900  30.144  10.822  25.086  10.143  5.058393       14.83259  
1 1 1 -13 90  12 o 15.224  7.0015  -148.5016  265.120  336.848    427.468  -451.9034  337.976  25.896  10.257  14.630  7.0652  11.26560       12.45495  
1 1 1 -13 90  13 o 51.508  6.5626  1564.77    357.802  1815.78    507.788  1317.24    504.249  53.704  9.0518  44.373  10.631  9.330738       13.96287  
1 1 1 -13 90  14 o 29.689  8.7011  559.160    297.860  716.514    460.049  445.589    390.839  32.704  10.992  27.338  10.050  5.366127       14.89419  
1 1 1 -13 91  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 91  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 91  3  o 14.339  6.1768  -0.1680    173.962  -139.1432  242.928  146.112    249.230  14.718  6.7439  19.687  7.8213  -4.969740      10.32729  
1 1 1 -13 91  4  o 15.530  6.4202  52.758     175.778  100.429    240.161  -2.2450    257.968  18.516  7.5625  17.199  7.4649  1.316719       10.62623  
1 1 1 -13 91  5  o 36.775  5.2935  774.856    204.772  962.740    283.491  569.881    296.104  40.463  6.7033  30.390  8.6058  10.07270       10.90841  
1 1 1 -13 91  6  o 21.163  7.5939  235.875    221.329  241.790    349.878  231.929    285.776  23.506  9.2895  22.189  8.4998  1.317490       12.59134  
1 1 1 -13 91  7  o 22.406  7.7697  279.497    230.201  235.247    367.127  308.168    295.511  23.638  9.4592  23.936  8.7480  -0.2975540     12.88430  
1 1 1 -13 91  8  o 19.441  7.7421  144.053    244.747  232.360    421.672  99.189     300.555  24.458  10.009  19.947  8.3327  4.511412       13.02344  
1 1 1 -13 91  9  o 21.343  8.4402  192.263    288.996  56.555     421.634  312.510    396.890  21.985  9.5430  25.297  9.9267  -3.311760      13.76984  
1 1 1 -13 91  10 o 80.994  4.6910  3691.75    409.751  3539.24    609.187  3817.75    553.726  77.210  7.3743  81.118  6.3532  -3.907333      9.733603  
1 1 1 -13 91  11 o 57.524  5.9774  1918.06    366.981  1805.22    531.289  2021.02    507.507  53.233  9.5664  57.313  8.4272  -4.080204      12.74888  
1 1 1 -13 91  12 o 73.573  4.7228  3055.91    374.360  3350.92    535.274  2773.45    523.764  75.629  6.6008  68.288  7.1894  7.340210       9.760003  
1 1 1 -13 91  13 o 56.895  5.7253  1869.90    348.022  1983.35    465.755  1726.47    523.677  57.230  7.7100  51.828  9.6850  5.402527       12.37919  
1 1 1 -13 92  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 92  2  o 31.744  11.092  626.942    469.617  0.0000     0.0000   626.942    469.617  ?       ?       31.744  11.092  0.000000       11.09233  
1 1 1 -13 92  3  o 48.020  6.0192  1330.70    306.186  0.0000     0.0000   1330.70    306.186  ?       ?       48.020  6.0192  0.000000       6.019214  
1 1 1 -13 92  4  o 68.471  3.8802  2602.58    286.576  2839.48    457.483  2449.58    367.647  70.325  6.0655  65.785  5.2022  4.539444       7.990849  
1 1 1 -13 92  5  o 53.870  4.6210  1631.81    267.012  1556.47    444.919  1674.21    333.808  50.555  8.4218  54.014  5.7965  -3.459286      10.22376  
1 1 1 -13 92  6  o 36.651  6.2214  787.199    238.137  946.755    376.984  681.257    307.185  38.792  9.1252  33.095  8.5192  5.696682       12.48383  
1 1 1 -13 92  7  o 30.946  8.1193  591.587    275.546  276.788    386.646  916.468    392.789  24.601  9.7517  37.863  9.5726  -13.26146      13.66498  
1 1 1 -13 92  8  f 51.280  5.6594  1511.49    309.095  2104.51    492.029  1124.89    397.271  59.131  7.8787  42.370  8.9379  16.76020       11.91468  
1 1 1 -13 92  9  o 80.087  4.9127  3622.15    424.083  3564.91    613.110  3674.66    587.214  77.489  7.3949  79.103  6.9235  -1.614182      10.13016  
1 1 1 -13 92  10 o 28.579  8.4560  509.592    280.136  381.881    445.579  593.067    360.236  26.886  10.527  30.465  9.6972  -3.578413      14.31293  
1 1 1 -13 92  11 o 28.596  9.1272  512.318    318.963  870.548    461.158  183.775    441.637  35.961  10.897  23.887  10.047  12.07409       14.82238  
1 1 1 -13 92  12 f 37.160  8.5639  869.381    337.600  556.603    485.843  1161.42    469.456  30.007  11.172  41.819  10.406  -11.81207      15.26812  
1 1 1 -13 93  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 93  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 93  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 93  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 93  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 93  6  o 25.990  9.7250  368.459    369.002  0.0000     0.0000   368.459    369.002  ?       ?       25.990  9.7250  0.000000       9.724962  
1 1 1 -13 93  7  o 32.195  8.0513  640.929    280.024  685.469    396.243  596.492    395.785  32.595  10.143  30.694  10.194  1.900881       14.38015  
1 1 1 -13 93  8  o 21.403  8.4504  196.955    289.269  132.504    432.969  248.919    388.768  23.130  9.8485  24.069  9.6978  -0.9389706     13.82175  
1 1 1 -13 93  9  o 39.754  7.1790  950.701    297.732  1373.54    487.038  698.401    376.214  45.994  10.057  32.833  9.8188  13.16026       14.05533  
1 1 1 -13 93  10 o 21.112  8.5276  170.533    301.416  223.787    437.284  122.328    416.042  24.404  10.111  22.631  9.6455  1.773256       13.97361  
1 1 1 -13 93  11 o 58.210  5.5318  1945.12    344.570  2120.93    527.514  1814.28    455.066  58.642  8.5573  54.649  7.9188  3.993183       11.65910  
1 1 1 -13 94  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 94  8  o 35.841  10.404  847.334    427.683  0.0000     0.0000   847.334    427.683  ?       ?       35.841  10.404  0.000000       10.40410  
1 1 1 -13 94  9  f 61.636  7.0018  2245.15    459.128  0.0000     0.0000   2245.15    459.128  ?       ?       61.636  7.0018  0.000000       7.001764  
1 1 1 -13 94  10 o 39.545  7.9876  962.103    330.344  1112.75    478.403  824.813    456.707  40.824  10.692  35.113  10.883  5.711052       15.25664  
1 1 1 -13 95  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 95  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 96  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 97  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 97  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 97  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -13 97  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 0   1  o 415.418 9.9767  93708.18   4483.06  93708.18   4483.06  93708.18   4483.06  415.418 9.9767  415.418 9.9767  -0.000000      0.000000  
1 1 1 -12 0   2  o 385.559 9.2049  80708.19   3839.03  80708.19   3839.03  80708.19   3839.03  385.559 9.2049  385.559 9.2049  0.000000       0.000000  
1 1 1 -12 0   3  o 731.325 16.983  290930.31  13435.86 290930.31  13435.86 290930.31  13435.86 731.325 16.983  731.325 16.983  0.000000       0.000000  
1 1 1 -12 0   4  o 596.392 14.011  193321.41  9039.49  193321.41  9039.49  193321.41  9039.49  596.392 14.011  596.392 14.011  0.000000       0.000000  
1 1 1 -12 0   5  o 345.957 8.4644  64981.73   3167.39  64981.73   3167.39  64981.73   3167.39  345.957 8.4644  345.957 8.4644  0.000000       0.000000  
1 1 1 -12 0   6  o 244.673 6.3026  32499.07   1667.73  32499.07   1667.73  32499.07   1667.73  244.673 6.3026  244.673 6.3026  -0.000000      0.000000  
1 1 1 -12 0   7  o 98.876  3.9989  5321.49    426.661  5321.49    426.661  5321.49    426.661  98.876  3.9989  98.876  3.9989  0.000000       0.000000  
1 1 1 -12 0   8  o 840.463 27.977  388045.81  25403.33 388045.81  25403.33 388045.81  25403.33 840.463 27.977  840.463 27.977  0.000000       0.000000  
1 1 1 -12 0   9  o 312.095 11.019  53047.83   3714.30  53047.83   3714.30  53047.83   3714.30  312.095 11.019  312.095 11.019  0.000000       0.000000  
1 1 1 -12 0   10 o 158.180 4.7485  13592.32   811.887  13592.32   811.887  13592.32   811.887  158.180 4.7485  158.180 4.7485  -0.000000      0.000000  
1 1 1 -12 0   11 o 678.153 15.828  250791.30  11611.54 250791.30  11611.54 250791.30  11611.54 678.153 15.828  678.153 15.828  -0.000000      0.000000  
1 1 1 -12 0   12 o 90.332  4.0990  4448.10    399.162  4448.10    399.162  4448.10    399.162  90.332  4.0990  90.332  4.0990  0.000000       0.000000  
1 1 1 -12 0   13 o 24.712  9.2161  445.249    229.695  445.249    229.695  445.249    229.695  24.712  9.2161  24.712  9.2161  0.000000       0.000000  
1 1 1 -12 0   14 o 142.059 4.6023  10970.54   706.449  10970.54   706.449  10970.54   706.449  142.059 4.6023  142.059 4.6023  0.000000       0.000000  
1 1 1 -12 0   15 o 233.938 6.1360  29738.08   1552.32  29738.08   1552.32  29738.08   1552.32  233.938 6.1360  233.938 6.1360  0.000000       0.000000  
1 1 1 -12 0   16 o 47.903  5.3874  1290.48    270.427  1290.48    270.427  1290.48    270.427  47.903  5.3874  47.903  5.3874  0.000000       0.000000  
1 1 1 -12 0   17 o 577.453 13.654  182325.41  8529.26  182325.41  8529.26  182325.41  8529.26  577.453 13.654  577.453 13.654  0.000000       0.000000  
1 1 1 -12 0   18 o 201.657 5.5610  22104.73   1212.53  22104.73   1212.53  22104.73   1212.53  201.657 5.5610  201.657 5.5610  0.000000       0.000000  
1 1 1 -12 0   19 o 170.272 5.1153  15765.86   941.460  15765.86   941.460  15765.86   941.460  170.272 5.1153  170.272 5.1153  -0.000000      0.000000  
1 1 1 -12 0   20 o 102.201 4.5260  5696.93    498.763  5696.93    498.763  5696.93    498.763  102.201 4.5260  102.201 4.5260  0.000000       0.000000  
1 1 1 -12 0   21 o 134.665 4.6698  9873.08    679.259  9873.08    679.259  9873.08    679.259  134.665 4.6698  134.665 4.6698  -0.000000      0.000000  
1 1 1 -12 0   22 o 53.817  5.7758  1627.13    326.876  1627.13    326.876  1627.13    326.876  53.817  5.7758  53.817  5.7758  0.000000       0.000000  
1 1 1 -12 0   23 o 125.649 4.7041  8612.30    638.152  8612.30    638.152  8612.30    638.152  125.649 4.7041  125.649 4.7041  -0.000000      0.000000  
1 1 1 -12 0   24 o 11.468  7.5648  -48.6106   241.768  -48.6106   241.768  -48.6106   241.768  11.468  7.5648  11.468  7.5648  0.000000       0.000000  
1 1 1 -12 0   25 o 24.283  11.563  482.241    347.459  482.241    347.459  482.241    347.459  24.283  11.563  24.283  11.563  0.000000       0.000000  
1 1 1 -12 0   26 o 59.949  5.9955  2024.20    380.359  2024.20    380.359  2024.20    380.359  59.949  5.9955  59.949  5.9955  0.000000       0.000000  
1 1 1 -12 0   27 o 36.543  2.2463  732.665    88.137   732.665    88.137   732.665    88.137   36.543  2.2463  36.543  2.2463  0.000000       0.000000  
1 1 1 -12 0   28 o 11.560  8.0007  -261.2589  342.968  -261.2589  342.968  -261.2589  342.968  11.560  8.0007  11.560  8.0007  -0.000000      0.000000  
1 1 1 -12 0   29 o 55.946  7.1918  1821.75    416.019  1821.75    416.019  1821.75    416.019  55.946  7.1918  55.946  7.1918  0.000000       0.000000  
1 1 1 -12 0   30 o 16.401  10.184  134.758    362.754  134.758    362.754  134.758    362.754  16.401  10.184  16.401  10.184  0.000000       0.000000  
1 1 1 -12 0   31 o 19.797  11.282  327.211    378.568  327.211    378.568  327.211    378.568  19.797  11.282  19.797  11.282  0.000000       0.000000  
1 1 1 -12 0   32 o 16.735  10.403  174.361    379.458  174.361    379.458  174.361    379.458  16.735  10.403  16.735  10.403  0.000000       0.000000  
1 1 1 -12 0   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 1   2  o 374.940 6.3916  76191.60   2595.61  75115.60   3670.68  77267.70   3670.83  372.131 9.1071  377.433 8.9796  -5.301636      12.78951  
1 1 1 -12 1   3  o 432.319 7.2525  101321.00  3395.97  99595.50   4802.58  103046.50  4802.67  428.393 10.351  435.767 10.176  -7.374176      14.51466  
1 1 1 -12 1   4  o 870.310 28.945  417152.00  27284.73 0.0000     0.0000   417152.00  27284.73 ?       ?       870.310 28.945  0.000000       28.94513  
1 1 1 -12 1   5  o 686.482 11.244  255895.00  8360.35  247160.00  11822.90 264631.19  11823.75 673.694 16.203  697.226 15.657  -23.53223      22.53169  
1 1 1 -12 1   6  o 572.388 9.4944  177792.50  5886.08  179533.41  8324.28  176051.70  8324.06  574.603 13.375  568.981 13.507  5.621826       19.00918  
1 1 1 -12 1   7  o 469.885 7.8566  119756.60  3998.50  125618.00  5655.39  113897.80  5654.08  480.906 10.858  457.853 11.402  23.05341       15.74429  
1 1 1 -12 1   8  o 126.679 4.2619  8695.04    584.759  8542.81    826.233  8847.82    827.718  125.531 6.0769  127.755 5.9818  -2.223328      8.527063  
1 1 1 -12 1   9  o 378.689 13.008  78083.02   5335.39  78083.02   5335.39  0.0000     0.0000   378.689 13.008  ?       ?       0.000000       13.00807  
1 1 1 -12 1   10 o 181.290 3.6673  17807.51   720.103  17806.21   832.721  17811.37   1433.93  181.269 4.2414  181.177 7.3072  0.9118652E-01  8.448970  
1 1 1 -12 1   11 o 82.776  2.8742  3711.96    257.684  3767.70    364.264  3656.11    364.577  83.381  4.0335  82.136  4.0981  1.245026       5.750085  
1 1 1 -12 1   12 o 216.622 4.1344  25433.91   970.031  26275.16   1370.14  24588.51   1373.52  220.088 5.7478  212.894 5.9567  7.194000       8.277607  
1 1 1 -12 1   13 o 124.445 3.0450  8391.13    410.420  7601.59    580.245  9181.63    580.598  118.408 4.5244  130.147 4.1188  -11.73828      6.118386  
1 1 1 -12 1   14 o 202.541 3.9412  22237.66   864.586  20895.76   1222.37  23581.05   1223.05  196.227 5.7514  208.479 5.4164  -12.25192      7.900398  
1 1 1 -12 1   15 o 88.617  2.9730  4255.50    285.355  4057.06    403.337  4454.37    403.768  86.497  4.3052  90.638  4.1129  -4.141602      5.954089  
1 1 1 -12 1   16 o 184.745 3.8234  18504.73   765.057  17014.15   1146.23  19702.29   1027.41  177.002 5.9789  190.554 4.9780  -13.55162      7.779965  
1 1 1 -12 1   17 o 223.568 4.2031  27109.28   1017.78  28479.17   1443.10  25753.47   1435.65  228.988 5.8185  217.725 6.0880  11.26349       8.421299  
1 1 1 -12 1   18 o 171.706 3.6199  15986.29   673.215  17204.18   948.346  14749.08   955.839  178.033 4.9181  164.806 5.3548  13.22661       7.270563  
1 1 1 -12 1   19 o 155.681 3.4531  13142.53   582.266  13518.45   823.959  12767.54   822.940  157.795 4.8211  153.339 4.9550  4.456039       6.913386  
1 1 1 -12 1   20 o 83.366  3.2845  3768.87    296.569  3633.10    410.293  3917.41    429.168  81.663  4.6580  84.805  4.6906  -3.141762      6.610512  
1 1 1 -12 1   21 o 63.579  3.6725  2201.05    251.824  2368.21    347.203  2015.51    365.789  65.824  4.9052  60.597  5.6380  5.227093       7.473158  
1 1 1 -12 1   22 o 248.775 4.6350  33665.30   1248.91  35033.41   1763.56  32288.92   1768.89  253.262 6.4291  243.045 6.7196  10.21771       9.299822  
1 1 1 -12 1   23 o 132.624 3.3904  9556.31    487.012  9638.88    712.196  9483.79    667.455  132.952 4.9458  131.928 4.6711  1.024994       6.802902  
1 1 1 -12 1   24 o 34.184  1.5408  633.420    57.049   420.946    266.879  643.594    58.399   27.394  8.2875  34.457  1.5648  -7.063477      8.433907  
1 1 1 -12 1   25 o 67.871  4.0408  2523.57    295.705  2746.92    422.032  2308.16    414.451  70.469  5.5749  64.446  6.0067  6.022537       8.195128  
1 1 1 -12 1   26 o 59.073  2.5219  1897.05    161.355  1900.94    179.074  1880.25    372.026  59.107  2.7972  58.004  6.0088  1.102802       6.627971  
1 1 1 -12 1   27 o 52.550  2.2562  1501.17    128.419  970.201    359.968  1578.60    137.464  40.589  8.4624  53.879  2.3556  -13.29055      8.784103  
1 1 1 -12 1   28 o 86.995  3.7582  4150.99    354.114  4331.75    504.449  3975.38    497.216  88.171  5.3070  84.380  5.4699  3.791313       7.621297  
1 1 1 -12 1   29 o 60.435  4.6391  2036.28    301.341  2328.05    430.452  1755.86    421.995  63.900  6.3015  54.958  7.2676  8.941895       9.619127  
1 1 1 -12 1   30 o 36.412  6.9049  784.646    262.350  510.209    385.633  1021.10    357.950  29.224  10.061  40.953  8.3528  -11.72960      13.07620  
1 1 1 -12 1   31 o 78.103  3.9642  3397.62    334.250  3370.64    490.388  3421.03    456.799  76.474  5.9677  77.407  5.4840  -0.9326706     8.104802  
1 1 1 -12 1   32 o 15.035  6.8912  -114.9053  253.885  -191.3717  349.063  -29.0182   369.941  16.907  7.8654  19.163  8.5961  -2.255955      11.65150  
1 1 1 -12 1   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 2   1  o 159.088 3.3037  13709.04   569.251  14141.95   804.677  13275.35   805.410  161.564 4.5984  156.534 4.7505  5.030609       6.611533  
1 1 1 -12 2   2  o 89.884  2.5984  4375.85    252.966  4262.48    357.716  4489.26    357.778  88.706  3.7232  91.036  3.6285  -2.329842      5.198898  
1 1 1 -12 2   3  o 537.130 8.9032  156486.80  5179.58  153014.00  7324.79  159960.00  7325.27  530.702 12.743  542.652 12.463  -11.94940      17.82468  
1 1 1 -12 2   4  o 192.633 3.7234  20101.24   776.848  19946.88   1097.59  20256.18   1099.67  191.864 5.2817  193.347 5.2512  -1.482468      7.447904  
1 1 1 -12 2   5  o 172.941 3.4850  16201.23   652.787  16916.86   923.159  15485.54   923.201  176.698 4.8236  169.054 5.0420  7.644165       6.977742  
1 1 1 -12 2   6  o 302.479 5.3298  49580.74   1746.14  49063.05   2469.35  50098.50   2469.49  300.796 7.5795  303.957 7.5011  -3.161591      10.66372  
1 1 1 -12 2   7  o 285.342 5.1070  44122.30   1578.33  46397.33   2233.35  41852.36   2230.85  292.518 7.0491  277.803 7.4142  14.71497       10.23033  
1 1 1 -12 2   8  o 81.328  3.1857  3582.97    280.614  3336.96    451.141  3738.21    358.379  78.283  5.3529  83.064  3.9834  -4.781250      6.672423  
1 1 1 -12 2   9  o 558.571 18.750  170875.30  11343.65 170875.30  11343.65 0.0000     0.0000   558.571 18.750  ?       ?       0.000000       18.75012  
1 1 1 -12 2   10 o 327.790 6.5937  58280.82   2340.96  56494.35   2867.78  61848.50   4052.66  322.586 8.2079  337.181 11.097  -14.59564      13.80265  
1 1 1 -12 2   11 o 476.613 7.9946  123355.80  4127.00  122210.30  5837.01  124500.90  5835.92  473.732 11.376  478.175 11.268  -4.443817      16.01197  
1 1 1 -12 2   12 f 361.836 6.2110  71039.35   2434.15  70321.99   3443.17  71756.07   3441.64  359.651 8.8391  363.314 8.7461  -3.663422      12.43475  
1 1 1 -12 2   13 o 392.133 6.6857  83483.16   2839.58  84880.04   4016.06  82086.68   4015.48  394.919 9.3891  388.334 9.5469  6.585114       13.39021  
1 1 1 -12 2   14 o 135.524 3.1729  9952.85    465.739  10105.90   659.129  9800.24    658.182  136.520 4.4576  134.437 4.5202  2.082809       6.348433  
1 1 1 -12 2   15 o 184.321 3.6504  18416.14   728.763  17557.55   1030.47  19275.23   1030.78  179.879 5.2892  188.489 5.0490  -8.610245      7.312179  
1 1 1 -12 2   16 o 245.924 4.5562  32805.64   1213.58  31822.42   1714.28  33793.45   1718.27  242.003 6.5402  249.408 6.3608  -7.404572      9.123243  
1 1 1 -12 2   17 o 200.384 3.8924  21773.68   844.795  21212.35   1191.72  22340.69   1197.74  197.650 5.5668  202.850 5.4515  -5.199692      7.791580  
1 1 1 -12 2   18 o 202.241 4.0041  22183.91   877.101  22451.70   1244.87  21919.93   1236.00  203.305 5.6533  200.880 5.6808  2.425018       8.014481  
1 1 1 -12 2   19 o 99.896  3.1175  5410.00    337.302  5650.15    478.166  5172.15    475.875  102.039 4.3266  97.619  4.5008  4.419754       6.243091  
1 1 1 -12 2   20 o 59.161  2.4600  1896.86    157.632  1772.41    331.976  1933.09    179.111  56.843  5.4593  59.717  2.7692  -2.873714      6.121455  
1 1 1 -12 2   21 o 139.177 3.3105  10508.08   499.036  10366.83   706.031  10649.10   705.457  138.115 4.7197  139.990 4.6527  -1.874573      6.627436  
1 1 1 -12 2   22 o 151.741 3.4438  12500.08   565.998  12593.25   801.157  12407.23   799.730  152.120 4.8625  150.988 4.8902  1.131882       6.896278  
1 1 1 -12 2   23 o 103.701 3.1330  5839.96    351.897  6205.02    499.025  5478.88    496.302  106.760 4.3156  100.287 4.5691  6.472816       6.285004  
1 1 1 -12 2   24 o 58.364  3.7490  1862.20    235.737  1300.77    323.267  2499.84    344.512  48.244  6.3401  67.488  4.7432  -19.24446      7.918062  
1 1 1 -12 2   25 o 130.968 3.3989  9342.29    482.133  9615.98    678.496  9063.13    685.233  132.519 4.7271  128.595 4.9198  3.924591       6.822746  
1 1 1 -12 2   26 o 36.694  2.1906  733.865    86.662   729.264    89.669   799.046    337.506  36.569  2.2752  36.901  8.6031  -0.3315315     8.898887  
1 1 1 -12 2   27 o 61.324  4.1741  2072.16    275.600  2247.66    394.689  1905.16    385.005  63.385  5.8138  58.184  6.2051  5.201488       8.503147  
1 1 1 -12 2   28 o 106.456 3.4695  6204.27    400.039  5930.78    558.459  6492.49    573.313  103.492 4.9821  108.327 4.8863  -4.835495      6.978401  
1 1 1 -12 2   29 o 56.793  4.6963  1800.92    286.294  1759.03    423.034  1836.33    388.879  55.001  7.2802  56.617  6.4571  -1.615639      9.731175  
1 1 1 -12 2   30 o 27.754  8.0658  465.877    256.910  473.440    382.224  459.645    346.980  28.449  10.003  27.913  9.5456  0.5359402      13.82705  
1 1 1 -12 2   31 o 71.081  4.0894  2820.66    313.511  2918.50    449.517  2728.00    437.470  71.191  5.8824  68.783  5.9301  2.408463       8.352777  
1 1 1 -12 2   32 o 36.589  6.9968  827.642    267.175  882.410    383.432  775.955    372.491  35.894  9.6529  33.599  9.6970  2.295002       13.68248  
1 1 1 -12 2   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 3   1  o 298.939 5.1850  48420.68   1678.80  45807.68   2373.94  51034.76   2374.43  290.676 7.5403  306.830 7.1448  -16.15378      10.38773  
1 1 1 -12 3   2  o 329.940 5.7264  58991.09   2046.39  60107.30   2894.00  57874.84   2894.06  332.944 8.0252  326.694 8.1789  6.249420       11.45858  
1 1 1 -12 3   3  o 119.121 2.8621  7685.80    369.266  7788.18    520.671  7582.19    523.784  119.903 4.0093  118.306 4.0877  1.597069       5.725672  
1 1 1 -12 3   4  o 252.727 4.5602  34603.97   1248.25  35179.23   1765.11  34028.48   1765.46  254.766 6.3968  250.561 6.5054  4.205078       9.123527  
1 1 1 -12 3   5  o 126.228 2.9565  8630.46    404.211  8807.88    570.763  8451.93    572.522  127.508 4.1328  124.904 4.2320  2.604156       5.915265  
1 1 1 -12 3   6  o 242.217 4.3485  31786.06   1140.80  30995.59   1611.74  32579.66   1614.93  239.131 6.2228  245.171 6.0816  -6.039307      8.701096  
1 1 1 -12 3   7  o 554.700 10.629  167110.80  6385.87  157943.00  11058.96 171696.80  7821.65  537.581 18.993  561.887 12.852  -24.30652      22.93307  
1 1 1 -12 3   8  o 288.349 7.3242  45096.83   2287.45  48134.35   3231.29  42045.56   3238.60  297.703 10.021  278.178 10.749  19.52554       14.69575  
1 1 1 -12 3   9  o 358.224 8.7531  69666.34   3396.16  69666.34   3396.16  0.0000     0.0000   358.224 8.7531  ?       ?       0.000000       8.753138  
1 1 1 -12 3   10 o 249.519 5.2683  33751.52   1423.79  32403.26   1743.99  36446.15   2465.51  244.414 6.5879  259.052 8.7872  -14.63803      10.98248  
1 1 1 -12 3   11 o 390.619 6.6771  82790.25   2824.93  81101.41   3261.60  87861.09   5651.67  386.480 7.7917  401.332 13.002  -14.85138      15.15776  
1 1 1 -12 3   12 o 149.130 3.2849  12050.44   530.588  11867.05   747.174  12236.99   753.598  147.950 4.6627  150.240 4.6311  -2.289444      6.571746  
1 1 1 -12 3   13 o 228.411 4.2603  28282.52   1053.98  28287.11   1490.76  28277.93   1490.34  228.312 6.0285  228.275 6.0278  0.3700256E-01  8.525060  
1 1 1 -12 3   14 f 147.819 3.2548  11841.01   521.103  11724.76   737.454  11956.94   736.448  147.041 4.6305  148.492 4.5790  -1.451004      6.512183  
1 1 1 -12 3   15 o 47.752  3.7041  1243.49    190.074  1125.70    277.469  1347.64    260.906  45.169  5.8060  49.599  4.9217  -4.429874      7.611323  
1 1 1 -12 3   16 o 108.901 2.9990  6427.00    353.735  6853.55    508.236  6026.23    492.642  112.419 4.1740  105.411 4.3149  7.008392       6.003430  
1 1 1 -12 3   17 o 219.479 4.1411  26125.55   984.407  25516.63   1392.61  26733.70   1391.72  216.738 5.9323  221.863 5.7916  -5.124344      8.290627  
1 1 1 -12 3   18 o 326.507 5.7456  57914.15   2031.88  57929.68   2873.93  57898.63   2873.09  326.039 8.1384  325.952 8.1382  0.8734131E-01  11.50924  
1 1 1 -12 3   19 o 217.341 4.2083  25630.98   990.653  25386.42   1397.87  25877.74   1404.14  216.089 5.9726  218.174 5.9420  -2.085373      8.424967  
1 1 1 -12 3   20 o 80.097  2.8109  3477.78    243.854  3306.04    308.465  3763.96    398.187  78.067  3.6481  83.147  4.4375  -5.080231      5.744592  
1 1 1 -12 3   21 o 76.139  3.3124  3144.93    273.162  2897.42    387.050  3390.55    385.572  72.839  4.9352  78.868  4.5328  -6.028557      6.700889  
1 1 1 -12 3   22 o 156.047 3.4435  13219.67   582.000  12909.22   823.695  13529.19   822.451  154.003 4.9382  157.677 4.8158  -3.674194      6.897676  
1 1 1 -12 3   23 o 91.986  2.8918  4593.20    288.109  4514.60    442.391  4651.10    379.661  91.044  4.4863  92.485  3.7901  -1.441460      5.872960  
1 1 1 -12 3   24 o 143.555 3.3608  11209.07   522.562  10676.03   735.483  11752.47   742.597  139.770 4.8583  146.697 4.6737  -6.926559      6.741456  
1 1 1 -12 3   25 o 38.721  2.2161  816.593    92.553   801.507    96.594   985.662    323.375  38.348  2.3368  41.505  7.4680  -3.157207      7.825013  
1 1 1 -12 3   26 o 87.109  3.4642  4139.15    326.839  4557.61    471.598  3752.40    453.380  90.982  4.8027  82.442  5.1025  8.540436       7.007277  
1 1 1 -12 3   27 o 63.895  4.0825  2247.14    281.051  2299.98    404.740  2197.93    390.571  64.094  5.8963  62.672  5.8203  1.422531       8.285084  
1 1 1 -12 3   28 o 108.353 3.5053  6428.94    411.371  5831.18    576.165  7050.52    587.533  102.389 5.2127  112.925 4.8037  -10.53608      7.088547  
1 1 1 -12 3   29 o 65.327  4.1776  2365.09    294.038  2631.71    424.979  2120.25    407.251  68.220  5.8068  60.977  6.2548  7.242702       8.534750  
1 1 1 -12 3   30 o 67.739  4.1316  2550.80    301.682  2644.00    436.156  2465.31    417.727  68.031  5.9799  65.702  5.9341  2.328781       8.424542  
1 1 1 -12 3   31 o 68.623  4.1738  2632.98    308.747  2155.24    444.550  3078.14    429.126  60.427  6.9170  73.437  5.4337  -13.00996      8.795984  
1 1 1 -12 3   32 o 51.993  5.1500  1568.41    286.203  1433.65    413.801  1691.99    396.271  47.249  8.3934  52.482  7.1579  -5.233028      11.03108  
1 1 1 -12 3   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 4   1  f 369.607 6.2982  74038.15   2521.32  76488.36   3566.03  71588.89   3565.34  375.536 8.7672  363.292 9.0610  12.24506       12.60816  
1 1 1 -12 4   2  o 462.420 7.7562  115937.60  3884.68  115212.00  5493.78  116663.10  5493.74  460.696 11.010  463.595 10.941  -2.899078      15.52181  
1 1 1 -12 4   3  o 102.885 2.6836  5733.35    299.043  5450.81    421.970  6018.42    423.856  100.310 3.8839  105.405 3.7127  -5.094910      5.372942  
1 1 1 -12 4   4  o 266.061 4.7729  38353.61   1375.42  40603.53   1945.09  36103.48   1945.17  273.697 6.5614  258.071 6.9590  15.62622       9.564548  
1 1 1 -12 4   5  f 349.379 6.0197  66156.34   2277.94  64700.29   3220.92  67613.44   3222.07  345.372 8.6104  353.074 8.4256  -7.701599      12.04694  
1 1 1 -12 4   6  o 217.866 4.0899  25715.12   965.110  25006.10   1363.76  26426.47   1365.99  214.798 5.8619  220.818 5.7114  -6.020569      8.184228  
1 1 1 -12 4   7  o 368.569 7.2474  73665.23   2893.13  72475.75   5007.92  74261.08   3544.46  365.076 12.665  369.934 8.8462  -4.858002      15.44848  
1 1 1 -12 4   8  o 467.391 9.0983  118587.00  4605.88  118029.90  5640.54  119701.80  7979.02  466.010 11.175  468.476 15.725  -2.465790      19.29152  
1 1 1 -12 4   9  o 885.167 16.869  428242.50  16173.08 430676.31  19808.15 423375.31  28011.91 885.657 20.649  871.800 29.666  13.85754       36.14494  
1 1 1 -12 4   10 o 147.525 3.6352  11792.00   580.851  10061.26   708.156  15350.43   1015.41  136.245 4.7989  168.263 5.5716  -32.01852      7.353381  
1 1 1 -12 4   11 o 57.362  3.1216  1787.94    193.208  1783.49    225.738  1800.15    373.608  57.254  3.6594  57.284  6.1162  -0.3007889E-01 7.127283  
1 1 1 -12 4   12 o 282.247 5.0175  43196.58   1533.85  43476.34   2170.93  42917.71   2167.47  282.982 7.0830  281.155 7.1177  1.827393       10.04141  
1 1 1 -12 4   13 o 135.697 3.1452  9977.51    462.263  9048.75    653.703  10906.47   653.775  129.183 4.6720  141.840 4.2556  -12.65704      6.319623  
1 1 1 -12 4   14 o 395.264 6.7287  84851.64   2880.63  82632.39   4073.85  87070.84   4073.81  389.471 9.6574  399.854 9.4065  -10.38333      13.48139  
1 1 1 -12 4   15 o 245.819 4.4999  32771.70   1198.09  32850.61   1694.83  32692.86   1693.89  245.938 6.3625  245.346 6.3744  0.5925140      9.006342  
1 1 1 -12 4   16 o 212.486 4.0727  24483.19   937.313  24363.24   1326.24  24602.88   1324.88  211.826 5.7806  212.868 5.7464  -1.042511      8.150873  
1 1 1 -12 4   17 o 44.627  4.1381  1089.37    197.745  1120.15    291.873  1063.25    268.852  44.993  6.1504  43.868  5.8007  1.125599       8.454295  
1 1 1 -12 4   18 o 201.790 4.1154  22087.08   899.467  22122.95   1357.86  22059.04   1200.67  201.746 6.2141  201.534 5.5005  0.2116852      8.298885  
1 1 1 -12 4   19 o 151.484 3.3901  12443.01   556.223  12917.13   794.773  11987.87   778.709  154.249 4.7572  148.591 4.8385  5.658295       6.785437  
1 1 1 -12 4   20 o 286.160 5.1636  44496.93   1600.41  44232.48   2266.30  44760.00   2260.36  284.816 7.3465  286.526 7.2836  -1.710022      10.34515  
1 1 1 -12 4   21 o 70.932  2.7472  2728.04    211.057  2709.60    257.906  2765.42    367.234  70.671  3.3694  71.170  4.7919  -0.4994049     5.857914  
1 1 1 -12 4   22 o 79.775  3.2967  3454.29    284.851  3053.03    404.445  3849.24    401.254  74.720  5.0268  84.020  4.4249  -9.300507      6.696836  
1 1 1 -12 4   23 o 124.103 3.2171  8365.37    432.427  8994.01    613.688  7745.44    609.423  128.515 4.4088  119.214 4.7198  9.301575       6.458653  
1 1 1 -12 4   24 o 122.751 3.2125  8192.72    427.109  7496.34    602.359  8896.86    605.703  117.142 4.7476  127.699 4.3793  -10.55695      6.458922  
1 1 1 -12 4   25 o 132.269 3.3563  9527.82    480.824  9657.06    681.130  9399.44    678.851  132.796 4.7356  130.997 4.7846  1.798355       6.731863  
1 1 1 -12 4   26 o 31.209  6.9999  563.456    230.782  409.190    343.566  690.295    311.531  27.664  9.4977  34.312  8.4408  -6.647978      12.70639  
1 1 1 -12 4   27 o 67.227  3.9742  2484.73    288.088  2456.71    415.223  2510.73    400.038  66.276  5.8442  67.107  5.5537  -0.8315353     8.062153  
1 1 1 -12 4   28 o 92.359  3.6260  4674.81    362.726  4993.62    509.189  4346.34    516.842  94.842  4.9742  88.255  5.4333  6.587318       7.366372  
1 1 1 -12 4   29 o 121.243 3.4608  8067.30    454.464  8305.54    650.579  7840.25    635.118  122.201 4.9153  118.714 4.9395  3.487679       6.968457  
1 1 1 -12 4   30 o 31.656  7.5337  604.972    254.574  605.821    370.027  604.208    350.786  31.227  9.8152  31.194  9.5157  0.3284073E-01  13.67071  
1 1 1 -12 4   31 o 60.997  4.5000  2093.13    295.202  2215.56    427.948  1981.99    407.743  61.545  6.5191  58.134  6.5922  3.410965       9.271253  
1 1 1 -12 4   32 o 18.525  7.6921  111.253    253.917  60.515     368.435  157.153    350.429  20.220  8.8460  21.240  8.9428  -1.019632      12.57881  
1 1 1 -12 4   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 5   2  o 643.281 10.425  224579.20  7263.32  227423.80  10271.92 221734.50  10271.86 646.667 14.666  638.492 14.853  8.174500       20.87346  
1 1 1 -12 5   3  o 712.822 13.589  276186.81  10491.54 280381.91  12849.08 267795.19  18172.95 717.583 16.532  699.192 23.997  18.39093       29.14059  
1 1 1 -12 5   4  o 684.274 11.292  254237.80  8368.90  265206.19  11835.52 243269.80  11835.30 698.035 15.655  668.391 16.349  29.64404       22.63490  
1 1 1 -12 5   5  o 546.638 9.0862  162112.30  5379.60  161780.20  7607.51  162444.59  7608.31  545.588 12.874  546.711 12.849  -1.122925      18.18861  
1 1 1 -12 5   6  o 149.245 3.1246  12065.32   505.091  11418.28   716.295  12705.22   712.335  145.169 4.5556  153.136 4.2947  -7.966705      6.260863  
1 1 1 -12 5   7  o 162.126 3.8937  14240.28   683.735  13989.70   1174.19  14368.84   841.032  160.630 6.7490  162.841 4.7685  -2.210220      8.263644  
1 1 1 -12 5   8  o 288.398 5.8723  45087.78   1834.29  45087.78   1834.29  0.0000     0.0000   288.398 5.8723  ?       ?       0.000000       5.872256  
1 1 1 -12 5   9  o 986.263 18.773  532862.62  20053.46 543947.38  24560.80 510695.41  34732.43 993.762 22.819  953.575 33.629  40.18683       40.63963  
1 1 1 -12 5   10 o 311.035 6.2829  52468.73   2116.61  51289.43   2592.47  54826.46   3665.62  307.398 7.7865  317.506 10.659  -10.10812      13.20033  
1 1 1 -12 5   11 o 64.949  3.1420  2285.42    221.028  2191.13    262.070  2517.73    411.370  63.473  3.8300  67.904  5.6445  -4.431076      6.821224  
1 1 1 -12 5   12 o 121.117 2.9993  7947.86    393.457  7982.89    558.825  7913.42    554.069  121.356 4.2515  120.827 4.2338  0.5286865      6.000031  
1 1 1 -12 5   13 o 337.714 5.8576  61884.80   2142.60  60237.97   3030.06  63531.73   3030.14  332.847 8.4050  341.862 8.1836  -9.014374      11.73090  
1 1 1 -12 5   14 o 268.387 4.8489  39067.37   1409.53  39102.22   1993.75  39032.54   1993.01  268.306 6.8607  268.066 6.8643  0.2395935      9.705068  
1 1 1 -12 5   15 o 52.116  3.4322  1478.52    192.652  1595.48    274.597  1365.15    270.356  54.028  4.7404  49.906  5.0722  4.122673       6.942515  
1 1 1 -12 5   16 o 210.249 4.0587  23970.08   924.258  23806.88   1307.84  24132.92   1306.36  209.393 5.7666  210.827 5.7209  -1.433334      8.122977  
1 1 1 -12 5   17 o 159.227 3.4464  13744.19   594.366  14586.47   838.176  12892.25   842.966  163.960 4.7198  154.123 5.0498  9.837250       6.912112  
1 1 1 -12 5   18 f 116.902 3.0637  7407.54    387.911  8680.25    559.338  6228.17    538.437  126.503 4.0823  107.131 4.6404  19.37224       6.180453  
1 1 1 -12 5   19 o 187.235 3.7760  19015.03   765.758  19446.91   1084.60  18585.78   1081.30  189.205 5.2926  184.957 5.3976  4.248016       7.559479  
1 1 1 -12 5   20 o 44.713  2.1259  1083.31    102.954  1051.48    301.694  1087.51    109.529  43.455  6.6191  44.740  2.2677  -1.285362      6.996811  
1 1 1 -12 5   21 o 194.875 4.0533  20620.30   855.535  21411.13   1147.18  19629.26   1284.20  198.386 5.3389  189.793 6.2472  8.593353       8.217719  
1 1 1 -12 5   22 o 143.594 3.3335  11192.54   518.445  10825.37   734.403  11557.30   731.988  141.040 4.8075  145.755 4.6367  -4.714783      6.679166  
1 1 1 -12 5   23 o 36.790  1.5115  733.472    60.230   759.391    61.786   238.265    270.063  37.434  1.5239  22.929  8.3655  14.50541       8.503164  
1 1 1 -12 5   24 o 44.830  4.7976  1110.33    229.337  890.034    311.959  1369.41    338.302  39.476  7.5717  49.485  6.4666  -10.00919      9.957280  
1 1 1 -12 5   25 o 59.515  4.1426  1943.79    265.371  1898.11    391.486  1982.63    360.955  58.307  6.2992  59.778  5.6416  -1.471741      8.456223  
1 1 1 -12 5   26 o 85.616  3.4814  3998.97    322.833  3609.09    469.245  4349.35    444.840  80.751  5.3962  88.920  4.6349  -8.169739      7.113488  
1 1 1 -12 5   27 o 48.268  4.9633  1297.67    255.781  1353.57    374.534  1248.81    350.154  48.543  7.3538  46.659  7.1571  1.883690       10.26168  
1 1 1 -12 5   28 o 64.963  2.4423  2297.92    171.843  1563.90    402.493  2461.55    190.034  52.039  7.3453  67.211  2.6105  -15.17200      7.795394  
1 1 1 -12 5   29 o 85.072  3.6637  3978.35    337.581  4067.08    487.488  3896.60    467.936  85.175  5.3107  83.420  5.2050  1.754860       7.436085  
1 1 1 -12 5   30 o 40.219  6.2141  939.408    261.969  718.771    379.911  1139.42    361.719  33.761  9.8074  43.515  7.9684  -9.754097      12.63648  
1 1 1 -12 5   31 o 49.468  5.2499  1399.53    276.981  1230.85    402.001  1551.98    382.170  44.423  8.6662  51.056  7.1034  -6.633240      11.20541  
1 1 1 -12 5   32 o 60.165  2.8374  1998.32    184.899  1943.78    206.782  2215.88    412.974  59.084  3.2437  60.836  6.3616  -1.751671      7.140818  
1 1 1 -12 5   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 6   1  o 502.406 8.3320  136881.50  4533.90  133252.59  6411.77  140510.80  6412.04  495.343 11.951  508.692 11.638  -13.34860      16.68122  
1 1 1 -12 6   2  o 535.829 8.8274  155726.59  5123.07  152071.30  7244.92  159382.30  7245.32  529.075 12.643  541.682 12.349  -12.60797      17.67337  
1 1 1 -12 6   3  o 479.225 7.9559  124529.40  4129.51  124492.90  5839.72  124565.80  5840.29  478.849 11.260  478.990 11.257  -0.1402893     15.92193  
1 1 1 -12 6   4  o 140.637 3.0838  10713.34   469.742  10187.96   661.803  11246.78   666.858  137.130 4.4558  144.083 4.2732  -6.952164      6.173665  
1 1 1 -12 6   5  o 143.454 3.1485  11147.13   489.200  11842.77   691.943  10451.93   691.723  147.849 4.3210  138.892 4.5982  8.956696       6.309831  
1 1 1 -12 6   6  o 174.195 4.0646  16439.18   766.867  16299.62   1321.25  16510.07   941.723  173.386 7.0356  174.553 4.9811  -1.166656      8.620374  
1 1 1 -12 6   7  o 338.823 6.6493  62242.66   2440.16  56945.86   4222.79  64898.02   2989.89  323.658 12.046  345.886 7.9809  -22.22824      14.44995  
1 1 1 -12 6   8  o 528.697 10.095  151827.70  5780.95  151827.70  5780.95  0.0000     0.0000   528.697 10.095  ?       ?       0.000000       10.09538  
1 1 1 -12 6   9  o 299.007 6.0869  48476.81   1971.27  48982.50   2416.46  47470.84   3408.25  300.472 7.4251  295.515 10.648  4.957062       12.98150  
1 1 1 -12 6   10 o 376.626 7.4786  76980.39   3050.71  76913.33   3737.00  77114.38   5282.14  376.262 9.1699  376.157 12.965  0.1049194      15.88006  
1 1 1 -12 6   11 o 230.229 4.2693  28728.15   1064.60  27300.33   1230.01  32991.95   2125.54  224.398 5.0608  246.478 7.9620  -22.08005      9.434246  
1 1 1 -12 6   12 o 92.361  2.8694  4621.65    287.042  4522.45    333.556  4904.77    563.528  91.357  3.3710  94.935  5.5041  -3.578468      6.454348  
1 1 1 -12 6   13 o 137.684 3.1673  10271.97   472.331  9644.64    669.175  10894.83   666.785  133.370 4.6325  141.761 4.3427  -8.391220      6.349706  
1 1 1 -12 6   14 o 311.288 5.4059  52574.95   1822.62  52253.64   2578.12  52896.00   2577.04  310.041 7.6774  311.948 7.6273  -1.907532      10.82209  
1 1 1 -12 6   15 o 283.593 5.0653  43634.48   1555.87  44667.18   2201.16  42603.33   2199.50  286.677 7.0891  279.952 7.2539  6.724945       10.14265  
1 1 1 -12 6   16 o 125.837 3.0996  8582.01    422.460  8298.98    598.784  8862.52    596.121  123.694 4.4694  127.832 4.3055  -4.137978      6.205882  
1 1 1 -12 6   17 o 108.925 3.0929  6430.64    364.895  5984.67    525.138  6846.99    507.397  105.027 4.6164  112.358 4.1694  -7.331154      6.220544  
1 1 1 -12 6   18 o 193.702 3.8465  20348.10   806.984  19705.19   1142.33  20988.58   1140.17  190.473 5.5372  196.596 5.3546  -6.123550      7.702704  
1 1 1 -12 6   19 o 169.154 3.5771  15517.56   655.359  15483.08   928.424  15551.81   925.219  168.844 5.0768  169.221 5.0480  -0.3771057     7.159332  
1 1 1 -12 6   20 o 145.892 3.3333  11543.11   526.714  12802.41   747.636  10302.17   742.166  153.554 4.4953  137.706 4.9760  15.84810       6.705838  
1 1 1 -12 6   21 o 74.762  3.4248  3032.65    277.322  3040.36    385.860  3024.40    398.848  74.637  4.7986  74.418  4.9771  0.2190094      6.913590  
1 1 1 -12 6   22 o 165.130 3.5696  14807.17   638.437  15301.07   911.330  14331.17   894.672  167.640 5.0191  162.227 5.0918  5.412766       7.149680  
1 1 1 -12 6   23 o 76.739  3.3159  3199.24    275.605  3052.71    383.841  3355.17    395.972  74.685  4.7700  78.325  4.6892  -3.639526      6.688901  
1 1 1 -12 6   24 o 168.554 3.6448  15466.23   665.394  14700.85   939.879  16235.30   942.143  163.856 5.2959  172.281 5.0490  -8.425125      7.317041  
1 1 1 -12 6   25 f 74.655  3.6210  3038.19    292.786  3268.12    429.883  2839.25    399.869  76.997  5.1850  71.745  5.1807  5.251923       7.329628  
1 1 1 -12 6   26 o 52.440  4.5348  1518.82    255.033  1553.70    378.004  1489.67    345.524  52.420  6.8192  51.461  6.3327  0.9590645      9.306146  
1 1 1 -12 6   27 o 46.566  5.0725  1210.20    251.696  1079.64    374.290  1317.98    340.069  42.898  8.3561  48.113  6.7083  -5.214558      10.71567  
1 1 1 -12 6   28 o 11.829  5.7551  -398.4584  235.315  -213.7832  331.199  -586.7144  334.394  16.970  7.8123  13.862  6.7699  3.108019       10.33747  
1 1 1 -12 6   29 o 32.690  7.2875  634.557    251.445  503.116    366.630  751.287    345.504  29.263  9.8132  35.023  9.0449  -5.760237      13.34577  
1 1 1 -12 6   30 o 72.215  3.9848  2893.03    310.470  2907.52    449.814  2879.85    429.061  71.422  5.8666  71.232  5.6066  0.1899796      8.114884  
1 1 1 -12 6   31 o 30.387  7.8188  571.080    258.824  348.756    377.402  768.494    355.632  25.569  9.7741  34.596  9.2933  -9.027016      13.48698  
1 1 1 -12 6   32 o 14.337  1.6889  113.603    25.724   156.824    36.211   69.573     36.548   16.815  2.0293  11.031  2.9859  5.783759       3.610230  
1 1 1 -12 6   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 7   2  f 725.386 13.566  286003.91  10658.01 300554.00  18461.34 278730.19  13052.95 741.069 23.000  715.393 16.846  25.67615       28.50965  
1 1 1 -12 7   3  o 499.295 8.3283  135196.91  4503.87  132773.80  6369.09  137620.50  6369.78  494.439 11.893  503.408 11.682  -8.968750      16.67110  
1 1 1 -12 7   4  o 836.657 19.457  382098.09  17631.90 395732.00  24936.08 368465.91  24934.46 848.295 27.140  818.081 28.141  30.21313       39.09575  
1 1 1 -12 7   5  o 343.864 6.8324  64100.57   2544.66  65425.81   3116.33  61448.90   4408.14  347.316 8.2842  336.305 12.102  11.01074       14.66569  
1 1 1 -12 7   6  o 184.579 4.2512  18458.37   849.901  19889.93   1466.25  17734.01   1042.99  191.530 7.0681  180.899 5.3232  10.63098       8.848407  
1 1 1 -12 7   7  o 135.084 3.5317  9885.34    516.728  10166.88   630.755  9310.83    901.044  136.984 4.2513  131.051 6.3480  5.932465       7.640029  
1 1 1 -12 7   8  o 180.738 4.0647  17699.10   795.688  17699.10   795.688  0.0000     0.0000   180.738 4.0647  ?       ?       0.000000       4.064658  
1 1 1 -12 7   9  o 442.202 8.6235  106160.00  4130.24  105063.40  5059.00  108351.80  7152.35  439.629 10.624  445.665 14.817  -6.035217      18.23274  
1 1 1 -12 7   10 o 62.020  3.4711  2090.58    232.234  1878.53    286.566  2496.30    396.390  58.698  4.5429  67.636  5.4575  -8.937981      7.100811  
1 1 1 -12 7   11 o 405.982 6.9009  89448.47   3034.47  89342.33   3504.09  89766.75   6067.98  405.596 7.9765  405.414 13.819  0.1825562      15.95581  
1 1 1 -12 7   12 o 163.402 3.4541  14468.43   611.314  14458.42   708.349  14497.66   1210.08  163.328 4.0042  163.421 6.8366  -0.9252930E-01 7.922898  
1 1 1 -12 7   13 o 319.934 5.5065  55528.56   1908.12  58117.11   2700.85  52949.03   2696.15  327.045 7.6247  312.116 7.9755  14.92871       11.03378  
1 1 1 -12 7   14 o 319.152 5.5941  55272.83   1933.73  56850.88   2735.42  53696.41   2733.99  323.366 7.8101  314.231 8.0330  9.135010       11.20391  
1 1 1 -12 7   15 o 369.583 6.3566  74186.49   2544.53  73223.61   3598.86  75149.01   3598.17  366.628 9.0629  371.446 8.9437  -4.817444      12.73287  
1 1 1 -12 7   16 o 113.316 3.0261  6958.84    371.406  6873.30    521.723  7046.73    528.843  112.576 4.2788  113.988 4.2835  -1.411232      6.054465  
1 1 1 -12 7   17 o 270.619 4.9125  39743.42   1439.90  38963.68   2037.03  40522.09   2035.63  267.658 7.0266  272.982 6.8849  -5.323486      9.837422  
1 1 1 -12 7   18 o 91.517  3.0802  4539.83    305.314  3944.33    434.140  5122.54    429.455  85.120  4.7276  97.179  4.0801  -12.05902      6.244801  
1 1 1 -12 7   19 o 214.370 4.0897  24933.32   949.566  26356.62   1341.34  23503.42   1344.44  220.220 5.6236  207.912 5.9703  12.30774       8.201732  
1 1 1 -12 7   20 o 110.704 3.1566  6645.50    378.485  6691.63    538.199  6600.36    532.365  111.015 4.4760  110.256 4.4580  0.7585144      6.317298  
1 1 1 -12 7   21 o 53.368  3.9356  1554.66    225.885  1110.01    322.625  1982.23    316.367  44.590  6.9034  60.186  4.8956  -15.59655      8.463054  
1 1 1 -12 7   22 o 114.152 3.2772  7073.10    405.181  6685.88    576.246  7451.75    569.833  110.837 4.8001  117.048 4.4948  -6.211761      6.576081  
1 1 1 -12 7   23 o 43.810  4.5446  1056.72    212.508  874.144    295.238  1253.00    306.120  39.288  7.2037  47.468  6.0950  -8.180069      9.436176  
1 1 1 -12 7   24 o 75.277  2.7796  3078.20    226.627  2998.31    398.019  3116.52    275.678  73.876  5.0038  75.690  3.3627  -1.814346      6.028764  
1 1 1 -12 7   25 o 122.456 3.3468  8166.98    443.896  8340.95    638.935  8004.67    617.158  123.392 4.7808  120.899 4.7131  2.493553       6.713342  
1 1 1 -12 7   26 o 20.181  7.5217  179.307    220.317  109.845    331.532  234.242    294.836  21.602  8.8614  23.090  8.6825  -1.487888      12.40606  
1 1 1 -12 7   27 o 42.646  5.4244  1021.67    244.882  987.166    364.650  1050.01    330.494  40.924  8.5044  42.611  7.4312  -1.687096      11.29372  
1 1 1 -12 7   28 o 24.038  8.0914  317.547    249.271  881.971    352.255  -248.5963  352.791  38.368  8.6795  17.263  7.9882  21.10482       11.79594  
1 1 1 -12 7   29 o 98.476  3.5126  5324.84    374.647  5477.36    540.792  5184.09    519.511  99.031  5.0587  96.374  4.9941  2.656731       7.108580  
1 1 1 -12 7   30 o 20.685  7.8833  195.745    245.047  -9.6107    359.052  374.796    335.267  19.919  8.7230  25.976  9.3436  -6.057144      12.78259  
1 1 1 -12 7   31 o 45.702  2.8958  1151.55    142.600  2131.74    409.388  1016.20    152.127  60.450  6.3475  42.803  3.3071  17.64699       7.157319  
1 1 1 -12 7   32 o 43.381  1.5393  1025.09    72.325   1172.47    102.483  878.855    102.085  46.293  2.0439  39.943  2.3703  6.350403       3.129819  
1 1 1 -12 7   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 8   1  o 207.023 3.9295  23217.35   881.105  22873.81   1245.65  23561.35   1246.49  205.453 5.5977  208.520 5.5191  -3.066727      7.861031  
1 1 1 -12 8   2  f 219.789 4.1083  26169.76   977.996  26412.62   1382.53  25926.51   1383.66  220.770 5.7818  218.727 5.8406  2.042496       8.218400  
1 1 1 -12 8   3  o 412.848 6.9305  92395.06   3099.02  90933.78   4382.21  93856.98   4383.15  409.361 9.8836  415.902 9.7303  -6.540527      13.86955  
1 1 1 -12 8   4  o 329.369 5.6790  58789.84   2025.95  58076.28   2865.44  59503.09   2864.80  327.249 8.0843  331.250 7.9849  -4.001129      11.36286  
1 1 1 -12 8   5  o 282.202 4.9628  43151.90   1516.90  46343.63   2145.87  39964.06   2144.56  292.382 6.7761  271.491 7.2931  20.89133       9.955176  
1 1 1 -12 8   6  o 211.823 4.6167  24311.51   1059.20  23567.25   1828.67  24687.27   1299.35  208.443 8.0999  213.427 5.6209  -4.983887      9.859139  
1 1 1 -12 8   7  o 266.288 5.4470  38431.78   1571.02  38431.78   1571.02  0.0000     0.0000   266.288 5.4470  ?       ?       0.000000       5.447044  
1 1 1 -12 8   8  o 417.211 6.9542  94402.55   3142.49  91003.45   3628.18  104610.00  6287.31  409.516 8.1799  438.351 13.243  -28.83426      15.56525  
1 1 1 -12 8   9  o 435.574 8.4665  102995.40  3994.27  101314.40  4891.87  106357.70  6918.54  431.729 10.462  441.600 14.465  -9.871185      17.85151  
1 1 1 -12 8   10 o 43.774  4.0125  1047.05    188.120  917.587    232.811  1290.61    319.317  40.784  5.4034  48.382  6.2388  -7.597744      8.253466  
1 1 1 -12 8   11 o 411.486 6.9782  91897.37   3110.07  92003.03   3591.74  91580.77   6217.38  411.572 8.0573  409.417 14.021  2.155762       16.17102  
1 1 1 -12 8   12 o 317.878 5.6142  54811.24   1932.95  54669.26   2232.58  55236.27   3862.78  317.378 6.4947  318.333 11.203  -0.9554443     12.94975  
1 1 1 -12 8   13 o 285.578 5.0990  44232.74   1577.18  44186.22   2231.37  44279.19   2229.56  285.213 7.2232  285.514 7.2098  -0.3014832     10.20569  
1 1 1 -12 8   14 f 462.990 7.7087  116536.50  3865.67  118897.10  5467.67  114177.30  5466.08  466.786 10.815  457.356 11.034  9.429749       15.45049  
1 1 1 -12 8   15 o 174.340 3.6062  16475.61   680.958  16780.87   964.958  16172.80   961.093  175.867 5.0659  172.647 5.1397  3.220459       7.216603  
1 1 1 -12 8   16 o 198.844 4.0012  21439.69   861.732  21700.80   1305.45  21238.06   1147.18  199.889 6.0298  197.807 5.3545  2.082291       8.064038  
1 1 1 -12 8   17 o 214.167 4.3424  24880.52   1007.29  25515.46   1342.72  24063.25   1523.35  216.752 5.7194  210.384 6.6853  6.368149       8.797982  
1 1 1 -12 8   18 o 48.797  3.9570  1299.94    207.337  1754.57    296.331  863.911    290.202  56.646  4.8774  39.251  7.0870  17.39566       8.603198  
1 1 1 -12 8   19 o 130.744 3.2124  9268.08    454.905  9491.64    646.827  9049.30    639.896  132.236 4.5161  129.114 4.5758  3.122040       6.429087  
1 1 1 -12 8   20 o 200.812 3.9645  21883.44   862.268  21889.91   1221.28  21877.00   1217.60  200.633 5.6201  200.576 5.6047  0.5690002E-01  7.937146  
1 1 1 -12 8   21 o 89.704  3.1823  4365.01    309.186  4785.75    441.688  3960.75    432.953  93.860  4.3447  85.236  4.7080  8.624069       6.406376  
1 1 1 -12 8   22 o 101.349 3.1407  5574.55    344.762  5811.32    491.939  5346.01    483.310  103.372 4.3938  99.137  4.5011  4.235062       6.290092  
1 1 1 -12 8   23 f 97.315  2.9944  5142.25    315.616  5174.65    429.124  5104.06    465.829  97.513  4.0630  96.799  4.4431  0.7135315      6.020725  
1 1 1 -12 8   24 o 3.3897  1.6157  -21.8311   16.422   -77.0249   21.562   54.392     25.339   2.7983  1.4175  9.8160  2.4028  -7.017672      2.789723  
1 1 1 -12 8   25 o 56.635  2.6579  1743.33    163.044  1686.21    183.613  1956.29    354.530  55.584  3.0617  59.385  5.5773  -3.800468      6.362442  
1 1 1 -12 8   26 o ?       ?       -234.8669  26.778   -239.7840  26.879   416.009    309.250  ?       ?       27.424  9.0062  0.000000       9.006168  
1 1 1 -12 8   27 o 112.175 3.2003  6867.21    388.824  6947.67    543.110  6782.59    556.911  112.424 4.4602  111.016 4.6316  1.408020       6.430032  
1 1 1 -12 8   28 o 101.430 3.4959  5634.66    384.062  5729.10    545.250  5541.67    541.065  101.706 4.9497  100.008 4.9951  1.697929       7.032112  
1 1 1 -12 8   29 o 65.227  4.1796  2358.67    293.722  2331.86    428.310  2382.46    403.565  63.948  6.2644  64.871  5.8051  -0.9230461     8.540589  
1 1 1 -12 8   30 o 39.426  6.3046  905.406    260.151  931.546    381.852  882.764    355.389  38.611  9.2519  37.761  8.8446  0.8503647      12.79946  
1 1 1 -12 8   31 o 47.969  1.8994  1253.81    98.684   458.937    411.870  1302.22    101.645  27.886  10.306  48.884  1.9198  -20.99757      10.48306  
1 1 1 -12 8   32 f 20.805  1.5083  236.939    33.757   238.432    33.919   81.949     345.575  20.870  1.5108  19.985  8.6571  0.8850708      8.787895  
1 1 1 -12 8   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 9   1  o 561.248 9.3592  170892.41  5689.35  174621.70  8046.00  167163.20  8045.90  566.854 13.105  554.573 13.395  12.28113       18.73954  
1 1 1 -12 9   2  o 793.925 16.813  343322.19  14457.84 351007.81  22431.89 337860.91  18909.37 799.615 25.901  785.904 22.215  13.71088       34.12247  
1 1 1 -12 9   3  o 200.750 3.8054  21831.43   827.421  21412.13   1168.79  22252.69   1171.52  198.782 5.4286  202.648 5.3375  -3.866272      7.613050  
1 1 1 -12 9   4  o 117.368 3.3311  7461.74    423.450  8030.48    740.524  7185.42    516.166  121.731 5.6165  115.166 4.1380  6.565117       6.976274  
1 1 1 -12 9   5  o 343.365 6.7367  63915.12   2505.40  60328.63   4334.57  65714.46   3070.21  333.216 12.010  348.082 8.1436  -14.86536      14.51077  
1 1 1 -12 9   6  o 275.371 4.9593  41090.58   1479.13  43658.52   2089.42  38510.85   2094.21  283.769 6.7981  266.494 7.2554  17.27505       9.942620  
1 1 1 -12 9   7  o 252.396 5.2613  34525.24   1438.29  34525.24   1438.29  0.0000     0.0000   252.396 5.2613  ?       ?       0.000000       5.261288  
1 1 1 -12 9   8  o 588.119 9.6441  187846.91  6143.23  184273.50  7093.26  198571.09  12288.16 582.200 11.249  602.273 18.838  -20.07251      21.94050  
1 1 1 -12 9   9  o 302.597 5.3157  49635.42   1742.18  50656.63   2011.67  46571.42   3484.51  305.648 6.0767  292.643 10.993  13.00543       12.56111  
1 1 1 -12 9   10 o 33.475  7.1949  631.510    253.105  493.088    377.494  744.559    341.147  30.646  9.9449  36.302  8.7738  -5.655340      13.26201  
1 1 1 -12 9   11 o 378.694 6.4431  77810.64   2642.71  77093.12   3051.90  79961.16   5283.55  376.820 7.4777  382.837 12.742  -6.017548      14.77421  
1 1 1 -12 9   12 o 193.874 3.7877  20370.61   795.365  20575.77   920.014  19763.62   1582.47  194.824 4.3600  190.742 7.6598  4.081589       8.813771  
1 1 1 -12 9   13 o 267.910 4.8296  38923.29   1401.41  39213.06   1619.29  38058.56   2797.27  268.846 5.5610  264.363 9.7693  4.483398       11.24117  
1 1 1 -12 9   14 o 226.143 4.4505  27731.43   1090.08  25772.88   1658.02  29222.58   1446.71  217.800 7.0285  232.042 5.7563  -14.24231      9.084852  
1 1 1 -12 9   15 o 160.456 3.5738  13955.75   621.098  14774.87   923.030  13277.98   839.614  165.014 5.1645  156.444 4.9551  8.570206       7.157125  
1 1 1 -12 9   16 o 228.408 4.2639  28294.10   1054.84  28497.14   1492.93  28091.70   1490.60  229.061 6.0175  227.423 6.0514  1.639023       8.534075  
1 1 1 -12 9   17 o 343.871 5.9968  64238.63   2233.50  61886.73   3160.46  66585.14   3156.83  336.944 8.6601  349.584 8.3374  -12.63977      12.02118  
1 1 1 -12 9   18 o 322.464 5.6623  56488.21   1977.62  56601.14   2799.64  56375.74   2793.94  322.282 8.0204  321.640 8.0200  0.6422424      11.34230  
1 1 1 -12 9   19 o 267.832 4.8767  38952.39   1414.69  37552.80   2001.67  40349.20   1999.68  262.593 7.0378  272.249 6.7815  -9.655975      9.773391  
1 1 1 -12 9   20 o 131.916 3.3488  9438.04    478.473  9527.59    670.828  9345.30    682.654  132.446 4.6763  131.163 4.8053  1.283798       6.705118  
1 1 1 -12 9   21 o 143.946 3.4182  11242.94   532.929  11886.88   781.288  10682.62   728.799  147.862 4.8785  140.181 4.8001  7.681137       6.844008  
1 1 1 -12 9   22 o 95.290  3.1282  4928.04    322.855  5051.90    461.592  4809.41    451.741  96.376  4.4220  94.033  4.4355  2.342628       6.263185  
1 1 1 -12 9   23 o 62.039  3.3522  2097.44    224.418  2241.60    339.210  1985.23    299.278  63.916  4.9382  60.178  4.6270  3.737934       6.767224  
1 1 1 -12 9   24 o 111.454 3.1999  6755.27    386.275  6516.23    550.867  6986.50    541.796  109.211 4.6570  113.132 4.4216  -3.921005      6.421739  
1 1 1 -12 9   25 o 106.983 3.3263  6233.51    385.432  6760.64    559.685  5758.02    531.568  111.115 4.6505  102.511 4.7876  8.603554       6.674452  
1 1 1 -12 9   26 o 20.559  7.6545  187.371    228.049  332.484    333.175  59.456     312.808  25.852  9.3128  20.260  8.4855  5.591593       12.59886  
1 1 1 -12 9   27 o 43.755  5.2987  1073.24    245.993  1389.91    369.918  822.177    329.374  49.267  7.1405  37.315  8.3572  11.95129       10.99229  
1 1 1 -12 9   28 o 44.318  2.4015  1072.44    114.843  1041.99    121.086  1345.14    362.338  43.655  2.5722  48.257  7.1486  -4.601757      7.597316  
1 1 1 -12 9   29 o 46.548  5.3316  1225.44    263.952  1279.04    388.693  1179.58    359.575  46.401  8.0244  44.669  7.7108  1.732300       11.12873  
1 1 1 -12 9   30 f 20.540  7.9362  184.251    250.643  299.134    379.919  95.714     333.521  25.093  9.7496  20.801  8.7395  4.291599       13.09328  
1 1 1 -12 9   31 o 51.459  5.0798  1509.93    279.431  1367.38    409.681  1633.93    382.108  47.041  8.3465  52.498  6.8861  -5.457497      10.82045  
1 1 1 -12 9   32 o 50.846  2.1657  1416.53    119.271  1460.98    125.730  1016.94    376.957  51.614  2.2490  38.903  9.1069  12.71098       9.380548  
1 1 1 -12 9   33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 10  1  o 475.035 7.8898  122362.60  4059.39  124540.10  5740.85  120185.20  5740.83  478.946 11.067  470.476 11.266  8.470062       15.79221  
1 1 1 -12 10  2  o 259.071 4.9634  36366.27   1392.73  37994.84   1841.10  34187.64   2129.44  264.763 6.4202  251.095 7.8299  13.66733       10.12554  
1 1 1 -12 10  3  o 405.671 6.8397  89210.87   3005.25  95950.05   4250.22  82472.66   4249.92  420.536 9.3312  389.826 10.066  30.71045       13.72545  
1 1 1 -12 10  4  o 175.325 3.4752  16651.15   659.922  16789.74   933.904  16512.93   932.638  176.030 4.8983  174.572 4.9325  1.457809       6.951464  
1 1 1 -12 10  5  o 124.802 3.5253  8437.40    476.523  9066.33    792.157  8080.75    596.524  129.340 5.6547  122.124 4.5098  7.215813       7.232801  
1 1 1 -12 10  6  o 138.560 4.3361  10402.13   650.732  10402.13   650.732  0.0000     0.0000   138.560 4.3361  ?       ?       0.000000       4.336053  
1 1 1 -12 10  7  o 96.976  3.1368  5094.31    329.468  5094.31    329.468  0.0000     0.0000   96.976  3.1368  ?       ?       0.000000       3.136759  
1 1 1 -12 10  8  o 522.282 8.6536  148068.09  4895.21  143677.41  5652.05  161248.80  9792.77  514.256 10.147  543.332 16.641  -29.07581      19.49055  
1 1 1 -12 10  9  o 499.386 8.3260  135383.20  4503.43  134050.91  5200.00  139380.91  9007.49  496.714 9.6656  504.929 16.470  -8.215332      19.09701  
1 1 1 -12 10  10 o 390.400 9.4475  82835.55   3994.84  76502.95   5649.86  89166.80   5649.26  374.395 13.933  404.421 12.897  -30.02582      18.98561  
1 1 1 -12 10  11 o 237.755 4.3868  30639.94   1129.67  30034.18   1303.76  32464.76   2262.85  235.355 5.1145  244.428 8.5474  -9.072495      9.960739  
1 1 1 -12 10  12 o 328.812 5.7697  58654.44   2054.79  58062.33   2373.50  60425.80   4105.26  327.048 6.7005  332.893 11.386  -5.845093      13.21117  
1 1 1 -12 10  13 o 242.825 4.5043  31970.19   1184.65  31148.91   1368.91  34419.82   2364.17  239.633 5.2742  251.550 8.6773  -11.91708      10.15446  
1 1 1 -12 10  14 o 262.630 4.7657  37409.63   1355.64  37485.42   1920.28  37334.32   1914.07  262.697 6.7490  262.168 6.7407  0.5290222      9.538683  
1 1 1 -12 10  15 o 247.506 4.5728  33225.83   1225.84  32764.95   1736.53  33683.62   1730.69  245.588 6.5284  249.020 6.4168  -3.432251      9.153913  
1 1 1 -12 10  16 o 154.841 3.3756  12996.01   566.120  12944.86   802.345  13046.72   798.896  154.464 4.7958  155.073 4.7565  -0.6088867     6.754543  
1 1 1 -12 10  17 o 188.894 3.7639  19347.15   770.070  20596.36   1091.33  18108.37   1086.77  194.789 5.1728  182.618 5.4944  12.17105       7.546277  
1 1 1 -12 10  18 o 39.261  4.6687  848.299    194.638  750.954    279.338  940.159    271.355  36.500  7.3206  41.118  6.2933  -4.618221      9.653823  
1 1 1 -12 10  19 o 170.724 3.6041  15807.84   666.437  15383.08   940.348  16236.49   944.633  168.284 5.1591  172.901 5.0442  -4.616501      7.215321  
1 1 1 -12 10  20 o 65.750  3.5117  2351.70    249.176  2218.71    358.565  2475.90    346.521  63.676  5.2457  67.344  4.7818  -3.668041      7.098147  
1 1 1 -12 10  21 f 183.341 3.8815  18249.95   770.779  18506.75   1044.82  17943.30   1141.71  184.436 5.2303  181.510 5.8074  2.926285       7.815506  
1 1 1 -12 10  22 o 48.354  2.1209  1267.49    111.079  1195.39    307.023  1278.35    119.150  46.367  6.2747  48.557  2.2655  -2.190220      6.671183  
1 1 1 -12 10  23 o 18.357  1.3103  183.516    25.881   223.939    260.816  183.115    26.009   22.382  8.2127  18.336  1.3184  4.046143       8.317823  
1 1 1 -12 10  24 o 42.081  4.5355  978.031    203.455  849.885    272.321  1139.93    306.087  38.725  6.7373  45.061  6.4561  -6.335911      9.331223  
1 1 1 -12 10  25 o 19.111  7.4224  132.708    220.120  100.215    335.666  157.223    291.564  21.631  8.8999  21.527  8.4888  0.1036758      12.29911  
1 1 1 -12 10  26 o 54.274  4.5593  1627.02    265.534  1642.10    385.460  1613.40    366.315  53.915  6.7486  53.531  6.4476  0.3838577      9.333611  
1 1 1 -12 10  27 o 86.976  3.4935  4135.02    329.107  4108.79    483.871  4157.59    448.945  86.065  5.2154  86.734  4.7976  -0.6686859     7.086425  
1 1 1 -12 10  28 o 52.504  2.5834  1502.25    146.912  1467.81    159.666  1692.35    375.130  51.786  2.8577  54.500  6.4822  -2.713806      7.084124  
1 1 1 -12 10  29 o 23.101  7.9094  293.227    238.225  -166.4259  356.017  665.898    320.567  18.093  8.2423  33.033  8.8012  -14.94025      12.05806  
1 1 1 -12 10  30 o 52.641  2.4954  1513.46    142.275  1376.92    425.956  1530.60    150.944  47.551  8.5865  52.913  2.6338  -5.361801      8.981386  
1 1 1 -12 10  31 o 15.217  6.8858  -93.1926   243.371  -534.7121  359.840  279.032    330.398  14.674  7.1343  23.600  9.1137  -8.925758      11.57396  
1 1 1 -12 10  32 o 39.575  1.7950  855.060    76.939   878.192    78.528   301.066    384.306  40.104  1.8079  23.855  9.6313  16.24856       9.799551  
1 1 1 -12 10  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 11  1  o 256.429 4.6654  35626.37   1295.76  35039.87   1832.06  36213.42   1832.91  254.249 6.6529  258.476 6.5472  -4.226349      9.334134  
1 1 1 -12 11  2  o 299.025 5.1503  48450.33   1668.06  48932.36   2359.00  47968.32   2358.99  300.426 7.2497  297.449 7.3222  2.977448       10.30403  
1 1 1 -12 11  3  o 237.551 4.3034  30572.24   1107.23  33165.98   1566.03  27979.63   1565.69  247.381 5.8447  227.202 6.3625  20.17943       8.639544  
1 1 1 -12 11  4  o 305.559 6.0513  50604.19   2002.70  51591.30   3462.82  50108.07   2454.92  308.280 10.371  303.993 7.4560  4.287048       12.77287  
1 1 1 -12 11  5  o 340.884 5.7944  62979.61   2139.35  59561.19   3022.77  66410.42   3028.24  331.356 8.4225  349.919 7.9901  -18.56335      11.60950  
1 1 1 -12 11  6  o 520.776 9.8833  147245.30  5574.72  147245.30  5574.72  0.0000     0.0000   520.776 9.8833  ?       ?       0.000000       9.883291  
1 1 1 -12 11  7  o 196.038 3.7356  20820.67   793.174  19885.63   915.469  23635.88   1588.48  191.570 4.4121  208.766 7.0251  -17.19536      8.295689  
1 1 1 -12 11  8  o 426.543 7.1907  98690.82   3322.05  97042.59   3835.59  103639.50  6646.09  422.843 8.3750  436.098 14.071  -13.25491      16.37443  
1 1 1 -12 11  9  o 528.840 8.7840  151873.70  5031.41  151187.50  5809.78  153932.30  10062.72 527.398 10.171  530.250 17.521  -2.851990      20.25926  
1 1 1 -12 11  10 o 164.354 3.9887  14638.00   710.037  14245.61   872.195  15409.03   1222.61  162.107 4.9676  168.527 6.6981  -6.419952      8.339129  
1 1 1 -12 11  11 o 364.052 6.2663  71906.95   2470.82  68247.02   2852.93  82890.59   4942.29  354.533 7.4296  389.971 11.701  -35.43875      13.86050  
1 1 1 -12 11  12 f 364.170 6.2575  71971.42   2468.16  70583.73   2850.17  76132.27   4935.33  360.506 7.2994  373.454 12.201  -12.94812      14.21812  
1 1 1 -12 11  13 o 177.697 3.6741  17113.86   707.129  16229.25   818.126  19726.62   1406.02  173.015 4.3658  190.594 6.8110  -17.57912      8.090152  
1 1 1 -12 11  14 o 179.027 3.6015  17372.24   698.350  18815.89   990.688  15946.36   984.572  186.248 4.9111  171.436 5.3024  14.81206       7.227337  
1 1 1 -12 11  15 o 207.539 3.9711  23353.29   892.655  22922.19   1264.54  23781.48   1260.28  205.490 5.6816  209.316 5.5589  -3.826813      7.948770  
1 1 1 -12 11  16 o 373.987 6.4218  75997.03   2601.27  75207.23   3680.53  76785.31   3676.97  371.405 9.1494  375.309 9.0455  -3.904877      12.86592  
1 1 1 -12 11  17 o 368.157 6.8040  73702.22   2713.12  74477.68   4191.17  73142.86   3559.59  369.057 10.485  366.206 8.9744  2.850708       13.80132  
1 1 1 -12 11  18 o 106.671 3.0915  6167.97    357.174  5993.17    509.171  6337.31    501.164  105.094 4.4732  108.078 4.2813  -2.984215      6.191794  
1 1 1 -12 11  19 o 210.258 4.0561  23986.37   923.692  23808.73   1308.76  24162.68   1303.85  209.276 5.7739  210.835 5.7097  -1.558716      8.120283  
1 1 1 -12 11  20 o 263.802 4.8179  37806.69   1376.60  37670.49   1948.92  37942.30   1944.69  262.904 6.8443  263.860 6.8047  -0.9564514     9.651292  
1 1 1 -12 11  21 o 33.329  1.8370  603.763    66.057   594.070    67.792   785.914    293.882  33.056  1.9015  37.258  7.5414  -4.201981      7.777418  
1 1 1 -12 11  22 o 146.701 3.3496  11684.89   532.222  12182.87   781.471  11254.09   726.847  149.588 4.8233  143.798 4.6668  5.790726       6.711441  
1 1 1 -12 11  23 o 171.080 3.5948  15913.93   666.100  15392.53   1001.98  16326.84   891.659  167.802 5.5130  173.026 4.7579  -5.224060      7.282271  
1 1 1 -12 11  24 o 109.727 3.1198  6546.77    370.775  6151.48    507.847  6997.99    542.586  106.147 4.4173  113.214 4.4249  -7.066605      6.252346  
1 1 1 -12 11  25 o 77.568  3.5750  3280.16    300.350  2719.17    442.965  3757.55    408.627  69.992  5.8982  82.724  4.5785  -12.73164      7.466657  
1 1 1 -12 11  26 o 44.773  5.3451  1120.04    254.079  636.688    369.237  1554.74    350.165  32.948  9.6966  52.584  6.2720  -19.63511      11.54830  
1 1 1 -12 11  27 o 62.531  4.0694  2153.23    274.109  2193.13    410.091  2121.02    368.530  62.462  6.1411  61.613  5.5831  0.8495216      8.299634  
1 1 1 -12 11  28 o 42.862  5.6654  1041.08    256.566  942.357    373.116  1129.63    353.366  39.561  8.9206  43.910  7.7114  -4.348686      11.79168  
1 1 1 -12 11  29 o 73.962  2.9679  2992.58    237.757  2987.21    290.950  3003.37    412.496  73.708  3.6445  73.152  5.2409  0.5558701      6.383539  
1 1 1 -12 11  30 o 20.834  1.3051  236.524    29.302   -352.0829  358.265  240.488    29.400   16.205  7.6726  21.009  1.2984  -4.803932      7.781682  
1 1 1 -12 11  31 o 55.623  4.7661  1753.43    284.364  1924.94    418.668  1606.54    387.446  56.956  6.9295  51.883  7.0796  5.073704       9.906472  
1 1 1 -12 11  32 o 28.618  1.1425  445.015    35.415   451.444    35.579   -245.3514  368.675  28.824  1.1396  16.787  7.8976  12.03775       7.979369  
1 1 1 -12 11  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 12  1  o 328.584 5.7590  58511.35   2049.57  59547.93   2898.65  57474.93   2898.42  331.368 8.0763  325.541 8.2203  5.827057       11.52388  
1 1 1 -12 12  2  o 627.780 10.245  213911.30  6966.15  212457.91  9851.23  215364.80  9852.00  624.928 14.554  629.208 14.456  -4.279907      20.51377  
1 1 1 -12 12  3  o 460.620 9.0018  115106.40  4490.98  123446.70  7776.59  110933.00  5501.01  476.251 15.076  451.968 11.237  24.28329       18.80321  
1 1 1 -12 12  4  o 742.155 13.711  299570.50  11021.20 296780.91  19086.26 300966.00  13499.23 735.453 23.960  743.089 16.772  -7.635925      29.24759  
1 1 1 -12 12  5  o 325.747 8.0043  57554.62   2824.06  57554.62   2824.06  0.0000     0.0000   325.747 8.0043  ?       ?       0.000000       8.004301  
1 1 1 -12 12  6  o 299.942 6.0656  48768.45   1970.51  48768.45   1970.51  0.0000     0.0000   299.942 6.0656  ?       ?       0.000000       6.065570  
1 1 1 -12 12  7  o 438.460 7.3269  104275.20  3479.55  103342.40  4017.28  107076.60  6962.00  436.377 8.4996  443.301 14.500  -6.923889      16.80747  
1 1 1 -12 12  8  o 310.437 5.3282  52237.90   1791.54  50380.32   2068.45  57815.93   3584.36  304.814 6.2653  326.198 10.145  -21.38400      11.92387  
1 1 1 -12 12  9  o 157.960 3.3496  13517.92   573.075  12574.46   661.968  16340.18   1144.92  152.334 4.0121  173.586 6.0896  -21.25209      7.292463  
1 1 1 -12 12  10 o 210.762 4.6762  24078.17   1067.48  23064.49   1309.34  26087.54   1843.44  206.224 5.8619  219.205 7.7644  -12.98030      9.728758  
1 1 1 -12 12  11 o 159.203 3.9192  13736.02   675.795  13802.70   827.231  13602.24   1171.77  159.560 4.7867  158.306 6.8340  1.253265       8.343601  
1 1 1 -12 12  12 o 197.797 3.9307  21205.18   842.084  20373.53   974.264  23661.48   1674.36  193.847 4.6403  208.716 7.4067  -14.86903      8.740200  
1 1 1 -12 12  13 o 132.119 3.0894  9458.43    442.092  9681.66    513.448  8818.54    869.299  133.657 3.5468  127.457 6.2970  6.200027       7.227189  
1 1 1 -12 12  14 o 385.362 6.6021  80659.79   2755.61  80138.00   3182.51  82222.77   5508.09  383.919 7.6535  387.397 13.127  -3.478271      15.19544  
1 1 1 -12 12  15 f 268.119 4.8402  38999.07   1405.59  40193.85   1991.56  37813.28   1984.07  271.969 6.7609  263.767 6.9449  8.201660       9.692348  
1 1 1 -12 12  16 o 324.890 5.6453  57310.57   1986.51  57545.95   2809.35  57075.19   2809.35  325.139 7.9775  323.799 8.0105  1.339569       11.30525  
1 1 1 -12 12  17 o 51.598  3.7459  1451.18    207.913  1734.70    298.584  1184.30    289.684  56.320  4.9448  46.321  5.9086  9.999958       7.704740  
1 1 1 -12 12  18 o 160.799 3.4584  14019.33   602.332  14392.22   856.781  13654.93   846.955  162.829 4.8581  158.598 4.9305  4.231155       6.921791  
1 1 1 -12 12  19 o 153.482 3.5343  12775.64   587.533  13069.92   806.030  12442.03   858.217  155.146 4.7967  151.335 5.2358  3.810928       7.100857  
1 1 1 -12 12  20 o 123.678 3.1903  8295.37    427.362  8888.58    610.524  7725.44    598.421  127.942 4.4057  119.261 4.6328  8.681374       6.393199  
1 1 1 -12 12  21 o 56.855  3.8005  1762.74    232.683  1751.23    337.362  1773.19    321.348  56.440  5.5923  56.842  5.2799  -0.4022522     7.690969  
1 1 1 -12 12  22 o 101.886 3.1591  5634.86    348.614  5437.25    489.115  5838.90    497.008  99.962  4.5176  103.598 4.4294  -3.635918      6.326772  
1 1 1 -12 12  23 o 18.126  6.6710  143.697    172.270  295.740    238.464  -22.2653   249.140  23.750  7.9138  17.100  7.3791  6.649172       10.82031  
1 1 1 -12 12  24 o 128.110 3.5722  8936.09    495.670  6588.62    816.180  10307.79   623.901  108.983 6.9507  137.453 4.1908  -28.46957      8.116294  
1 1 1 -12 12  25 o 118.467 3.1854  7641.01    408.731  7919.02    789.326  7539.15    477.776  119.607 6.1134  117.554 3.7525  2.053169       7.173173  
1 1 1 -12 12  26 o 83.450  3.1692  3795.70    286.451  4607.39    601.623  3557.75    325.743  90.949  6.1434  80.693  3.7271  10.25534       7.185607  
1 1 1 -12 12  27 o 43.733  5.7555  1079.09    266.004  802.638    461.176  1216.92    325.630  36.436  10.865  46.175  6.7071  -9.739841      12.76887  
1 1 1 -12 12  28 o 68.783  4.4480  2620.71    329.601  2841.95    545.768  2493.70    413.528  70.375  7.2646  66.573  5.7928  3.801720       9.291419  
1 1 1 -12 12  29 o 82.678  2.9951  3740.38    268.206  4120.74    340.017  3113.95    436.356  86.573  3.6262  74.378  5.4547  12.19510       6.550008  
1 1 1 -12 12  30 o 92.137  3.5897  4678.79    358.232  4880.49    522.639  4500.06    491.982  93.086  5.2046  89.443  5.0996  3.643257       7.286589  
1 1 1 -12 12  31 o 41.724  6.2908  1026.29    275.455  935.112    393.016  1114.33    386.180  37.900  9.5718  42.012  8.7702  -4.111881      12.98213  
1 1 1 -12 12  32 o 47.667  2.0708  1244.18    106.914  1273.85    111.059  868.692    395.064  48.218  2.1266  35.050  9.9456  13.16790       10.17041  
1 1 1 -12 12  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 13  1  o 339.036 5.8933  62296.11   2164.08  62175.08   3060.30  62417.16   3060.64  338.577 8.3452  339.236 8.3299  -0.6594543     11.79108  
1 1 1 -12 13  2  o 379.627 7.4297  78141.42   3054.89  74338.65   5286.54  80047.88   3743.12  369.790 13.199  384.121 8.9970  -14.33054      15.97382  
1 1 1 -12 13  3  o 310.210 6.2410  52159.40   2096.92  53568.94   3628.07  51452.35   2569.57  314.109 10.664  308.029 7.7019  6.079407       13.15459  
1 1 1 -12 13  4  o 737.263 11.906  295346.81  9507.59  285603.31  13443.89 305095.59  13447.63 723.706 17.151  748.159 16.595  -24.45282      23.86547  
1 1 1 -12 13  5  o 465.142 8.8780  117400.70  4472.72  117400.70  4472.72  0.0000     0.0000   465.142 8.8780  ?       ?       0.000000       8.878022  
1 1 1 -12 13  6  o 315.305 6.3065  53898.11   2153.74  53898.11   2153.74  0.0000     0.0000   315.305 6.3065  ?       ?       0.000000       6.306546  
1 1 1 -12 13  7  o 269.861 4.8508  39466.10   1417.82  39771.95   1636.80  38546.96   2837.49  270.873 5.5790  266.409 9.8337  4.464813       11.30604  
1 1 1 -12 13  8  o 349.483 5.9954  66223.16   2269.43  65004.32   2620.10  69884.30   4541.01  346.179 6.9879  358.417 11.698  -12.23825      13.62582  
1 1 1 -12 13  9  o 244.032 4.4762  32274.30   1183.10  31311.02   1367.18  35146.50   2360.78  240.328 5.2523  254.406 8.5676  -14.07745      10.04938  
1 1 1 -12 13  10 o 289.729 5.9521  45528.38   1867.82  45069.29   2290.30  46440.11   3227.58  288.152 7.3384  292.189 10.199  -4.037201      12.56441  
1 1 1 -12 13  11 o 233.768 5.0178  29630.87   1270.49  29960.18   1556.32  28973.02   2199.71  234.993 6.1147  230.864 8.7971  4.129242       10.71347  
1 1 1 -12 13  12 o 366.706 6.2948  72982.51   2500.19  72735.95   2887.48  73721.16   4997.75  365.952 7.2849  367.373 12.560  -1.421173      14.51995  
1 1 1 -12 13  13 o 297.873 5.2850  48132.27   1705.08  47169.06   1969.19  51017.97   3408.43  294.788 6.1675  305.954 10.286  -11.16623      11.99294  
1 1 1 -12 13  14 o 357.878 6.2045  69542.48   2404.98  68141.95   2777.32  73740.62   4808.47  354.088 7.2418  367.178 12.091  -13.08984      14.09378  
1 1 1 -12 13  15 o 208.710 4.0368  23618.81   912.535  23374.64   1292.74  23861.30   1288.31  207.497 5.7521  209.653 5.6735  -2.156052      8.079304  
1 1 1 -12 13  16 o 126.319 3.1497  8648.23    430.937  8685.99    621.201  8613.20    598.318  126.539 4.5325  126.015 4.3837  0.5244904      6.305568  
1 1 1 -12 13  17 o 145.904 3.3511  11540.02   529.562  11702.75   753.370  11381.09   744.536  146.855 4.7364  144.822 4.7466  2.032944       6.705484  
1 1 1 -12 13  18 o 255.892 4.6529  35538.79   1289.59  35416.79   1825.63  35660.30   1821.90  255.170 6.6056  256.052 6.5694  -0.8818359     9.316177  
1 1 1 -12 13  19 o 430.490 7.3051  100983.60  3406.10  103350.50  4819.82  98622.22   4814.10  434.214 10.248  424.047 10.482  10.16660       14.65932  
1 1 1 -12 13  20 o 219.227 4.1617  26090.45   988.175  24862.78   1396.94  27320.06   1398.04  213.721 6.0348  224.084 5.7602  -10.36330      8.342565  
1 1 1 -12 13  21 o 217.709 4.3874  25755.66   1034.56  25383.20   2625.98  25824.10   1125.59  213.775 11.382  217.931 4.7686  -4.155930      12.34087  
1 1 1 -12 13  22 o 103.971 3.0118  5866.83    339.158  5416.62    656.254  6030.90    396.166  99.381  6.1266  105.377 3.4710  -5.995781      7.041544  
1 1 1 -12 13  23 o 70.098  3.1984  2669.85    242.837  2503.01    444.860  2740.67    289.827  67.301  6.1716  70.875  3.7892  -3.574799      7.242044  
1 1 1 -12 13  24 o 37.612  4.7986  785.841    191.034  1103.04    317.501  605.849    239.170  44.199  6.8542  32.509  6.9996  11.69041       9.796632  
1 1 1 -12 13  25 o 47.891  4.5691  1266.82    234.125  1379.42    467.822  1229.20    270.427  48.677  9.2107  46.983  5.4133  1.694328       10.68366  
1 1 1 -12 13  26 o 78.250  2.7653  3332.46    234.368  3540.86    338.688  3140.98    324.651  80.466  3.8861  75.668  3.9752  4.797646       5.559150  
1 1 1 -12 13  27 o 53.323  4.1064  1569.00    235.339  1773.45    482.310  1505.12    269.613  55.235  8.3201  52.031  4.8396  3.203659       9.625279  
1 1 1 -12 13  28 o 80.092  3.4528  3513.73    299.528  4424.86    596.620  3206.70    346.337  88.542  6.2616  76.192  4.2132  12.34999       7.547112  
1 1 1 -12 13  29 o 41.723  5.1007  984.402    225.704  941.514    464.843  997.633    258.180  38.487  10.742  41.728  5.8751  -3.241039      12.24366  
1 1 1 -12 13  30 o 38.060  2.2245  792.475    91.300   1331.15    471.278  771.470    93.063   45.997  9.7617  37.537  2.3001  8.459988       10.02902  
1 1 1 -12 13  31 o 53.117  5.6410  1630.45    319.568  1852.97    513.187  1489.51    408.420  54.184  9.0646  49.316  7.9139  4.868618       12.03318  
1 1 1 -12 13  32 o 3.3690  1.6613  -47.2046   21.731   -59.4026   30.801   -35.1151   30.664   4.1599  2.0364  4.7656  2.2528  -0.6056752     3.036837  
1 1 1 -12 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 14  1  o 375.770 9.2158  76614.90   3750.81  80407.87   5300.99  72812.01   5307.91  384.628 12.725  365.938 13.392  18.68921       18.47331  
1 1 1 -12 14  2  o 621.880 11.728  210088.41  7899.77  199541.30  13679.78 215365.41  9676.27  604.031 20.910  629.187 14.199  -25.15588      25.27509  
1 1 1 -12 14  3  o 376.828 7.3095  76995.11   2983.31  72168.76   5160.75  79417.41   3656.09  364.330 13.078  382.601 8.8227  -18.27106      15.77590  
1 1 1 -12 14  4  o 426.392 10.199  98708.00   4710.17  98708.00   4710.17  0.0000     0.0000   426.392 10.199  ?       ?       0.000000       10.19898  
1 1 1 -12 14  5  o 327.700 6.3972  58217.53   2270.57  58217.53   2270.57  0.0000     0.0000   327.700 6.3972  ?       ?       0.000000       6.397170  
1 1 1 -12 14  6  o 259.293 4.5091  36430.99   1266.35  35293.35   1460.61  39874.85   2541.29  255.186 5.2845  271.065 8.6559  -15.87938      10.14152  
1 1 1 -12 14  7  o 471.882 7.8131  120813.80  3993.23  119335.60  4610.34  125253.60  7989.85  468.833 9.0791  479.188 15.394  -10.35526      17.87227  
1 1 1 -12 14  8  o 247.492 4.4906  33193.83   1203.75  32246.87   1389.50  36042.39   2409.93  243.905 5.2598  257.655 8.6357  -13.75027      10.11139  
1 1 1 -12 14  9  o 202.072 3.8947  22126.14   852.414  21854.40   984.756  22938.24   1702.38  200.807 4.5277  205.577 7.6456  -4.770065      8.885681  
1 1 1 -12 14  10 o 150.475 3.7661  12269.90   613.801  12622.09   758.156  11599.94   1045.68  152.597 4.5871  146.216 6.6029  6.381088       8.039909  
1 1 1 -12 14  11 f 252.499 5.2308  34574.25   1430.54  33802.91   1752.95  36112.20   2475.23  249.575 6.4848  257.725 8.8673  -8.149612      10.98549  
1 1 1 -12 14  12 o 148.901 3.2500  12014.07   524.153  11969.34   606.354  12146.32   1042.58  148.609 3.7671  149.591 6.4348  -0.9819946     7.456386  
1 1 1 -12 14  13 o 156.546 3.3894  13280.93   574.691  12882.35   663.658  14475.79   1149.06  154.158 3.9747  163.282 6.4973  -9.123978      7.616648  
1 1 1 -12 14  14 o 186.611 3.7294  18876.89   753.784  18687.63   873.278  19429.98   1492.88  185.641 4.3432  189.070 7.2901  -3.428329      8.485792  
1 1 1 -12 14  15 o 144.057 3.2392  11247.38   505.401  10895.25   718.500  11592.25   711.050  141.723 4.6808  146.195 4.4905  -4.472549      6.486480  
1 1 1 -12 14  16 o 142.788 3.2651  11051.03   504.953  9853.77    718.529  12219.30   709.776  134.756 4.9230  150.094 4.3661  -15.33766      6.580112  
1 1 1 -12 14  17 o 254.529 4.6665  35153.11   1286.46  34439.57   1821.34  35863.51   1817.34  251.675 6.6816  256.848 6.5327  -5.172791      9.344481  
1 1 1 -12 14  18 o 84.282  3.2021  3850.96    292.307  3792.77    411.219  3910.40    415.586  83.474  4.5656  84.765  4.5432  -1.290421      6.440920  
1 1 1 -12 14  19 o 98.494  3.0974  5259.57    330.425  5376.11    642.940  5217.74    385.186  99.246  6.0095  98.082  3.6259  1.164658       7.018628  
1 1 1 -12 14  20 o 302.051 5.7656  49641.95   1886.24  50007.45   3512.32  49493.81   2236.04  301.407 10.759  301.308 6.8517  0.9863281E-01  12.75545  
1 1 1 -12 14  21 o 127.439 3.1456  8810.87    434.186  8143.32    849.675  9046.79    505.115  122.000 6.4531  129.097 3.6125  -7.096893      7.395463  
1 1 1 -12 14  22 o 60.169  3.3202  1971.80    215.539  1645.74    400.164  2105.06    255.819  54.380  6.9532  62.120  3.8207  -7.739407      7.933801  
1 1 1 -12 14  23 o 174.739 3.6266  16607.15   686.380  15779.18   1360.70  16889.73   794.926  169.167 7.4264  176.097 4.1678  -6.930817      8.515950  
1 1 1 -12 14  24 o 82.630  3.1188  3713.25    279.123  3101.75    502.272  3986.47    335.739  74.797  6.2574  85.553  3.6232  -10.75616      7.230669  
1 1 1 -12 14  25 o 166.337 3.5850  15086.69   645.882  15764.71   1296.19  14862.74   744.954  168.358 7.1083  164.899 4.1710  3.459000       8.241653  
1 1 1 -12 14  26 f 27.395  6.8892  435.044    204.211  262.856    423.807  487.112    233.049  26.102  10.253  28.930  7.4060  -2.827291      12.64806  
1 1 1 -12 14  27 o 50.976  2.4210  1413.77    133.670  1372.80    154.380  1536.48    267.177  50.107  2.8564  52.598  4.7408  -2.490784      5.534874  
1 1 1 -12 14  28 o 19.025  7.1795  158.432    201.978  165.098    420.836  156.437    230.228  24.130  9.9510  19.682  7.6057  4.448475       12.52475  
1 1 1 -12 14  29 o 68.340  2.8122  2552.92    208.155  2882.84    554.043  2498.70    224.610  70.420  7.3733  67.550  3.0700  2.869865       7.986907  
1 1 1 -12 14  30 o 30.283  6.7997  546.841    217.569  109.278    449.699  680.562    248.601  23.430  10.008  33.774  7.0248  -10.34422      12.22741  
1 1 1 -12 14  31 o 37.107  6.1311  813.477    237.806  497.059    470.155  922.259    275.670  28.753  10.929  39.247  6.7272  -10.49355      12.83329  
1 1 1 -12 14  32 o 39.746  1.5299  860.878    65.860   1074.22    94.421   658.739    91.910   44.308  1.9675  34.510  2.4753  9.798004       3.162025  
1 1 1 -12 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 15  1  o 244.179 8.9585  32349.20   2369.27  0.0000     0.0000   32349.20   2369.27  ?       ?       244.179 8.9585  0.000000       8.958515  
1 1 1 -12 15  2  o 172.550 4.9225  16133.07   919.963  15953.55   1291.77  16317.82   1310.48  171.540 6.9527  173.486 6.9742  -1.946716      9.847801  
1 1 1 -12 15  3  o 168.327 3.9705  15350.03   723.875  14725.42   883.532  16625.36   1262.49  164.849 4.9484  175.120 6.6561  -10.27078      8.294032  
1 1 1 -12 15  4  f 616.345 11.755  206437.70  7847.40  206437.70  7847.40  0.0000     0.0000   616.345 11.755  ?       ?       0.000000       11.75525  
1 1 1 -12 15  5  o 560.685 10.622  170759.41  6450.51  170759.41  6450.51  0.0000     0.0000   560.685 10.622  ?       ?       0.000000       10.62196  
1 1 1 -12 15  6  f 474.736 7.8034  122265.90  4012.44  119913.80  4632.26  129333.30  8029.62  470.000 9.0997  487.070 15.221  -17.07059      17.73336  
1 1 1 -12 15  7  o 356.691 6.1380  68982.23   2371.31  68575.51   2737.35  70205.26   4746.81  355.566 7.1079  359.213 12.201  -3.646881      14.12006  
1 1 1 -12 15  8  o 203.683 3.8252  22478.61   843.870  21558.53   974.076  25246.62   1689.52  199.451 4.5091  215.719 7.2311  -16.26753      8.521786  
1 1 1 -12 15  9  o 642.546 10.601  224575.30  7377.41  220094.41  8518.34  238022.50  14756.69 635.597 12.374  657.439 20.724  -21.84167      24.13658  
1 1 1 -12 15  10 o 464.718 9.0762  117386.00  4568.38  113971.30  5596.03  124208.60  7910.03  457.448 11.295  476.414 15.329  -18.96634      19.04086  
1 1 1 -12 15  11 o 169.390 4.0073  15551.39   735.211  15223.69   902.030  16199.95   1268.98  167.559 4.9703  172.755 6.7819  -5.195801      8.408253  
1 1 1 -12 15  12 o 26.317  5.6782  390.282    157.103  448.857    190.548  265.942    277.620  28.199  6.3869  23.916  8.5130  4.283604       10.64258  
1 1 1 -12 15  13 o 225.317 4.2173  27523.96   1029.19  27175.56   1189.60  28560.76   2052.18  223.843 4.9067  229.161 8.2681  -5.317886      9.614417  
1 1 1 -12 15  14 f 271.016 4.8954  39843.17   1436.98  38354.90   1658.79  44318.66   2876.54  265.821 5.7615  285.212 9.3118  -19.39096      10.95005  
1 1 1 -12 15  15 o 231.219 4.9751  29007.24   1245.94  28488.52   1526.84  30041.08   2155.53  229.029 6.1551  234.885 8.4728  -5.856094      10.47255  
1 1 1 -12 15  16 o 276.070 4.9152  41357.05   1469.69  41410.41   2079.46  41303.80   2077.46  275.971 6.9569  275.615 6.9592  0.3558350      9.840194  
1 1 1 -12 15  17 f 294.020 5.2310  46931.87   1665.84  47238.97   2358.34  46626.06   2353.37  294.618 7.3906  292.694 7.4235  1.923950       10.47513  
1 1 1 -12 15  18 o 48.139  3.8079  1264.70    196.923  1510.06    386.516  1178.68    228.853  52.212  7.0120  46.374  4.6178  5.838905       8.395924  
1 1 1 -12 15  19 o 125.467 3.1385  8535.01    426.505  9244.14    849.379  8295.93    493.190  130.373 6.0151  123.670 3.6820  6.702728       7.052551  
1 1 1 -12 15  20 o 53.342  3.4139  1549.81    196.207  1380.30    323.806  1648.15    246.643  49.985  6.1081  54.940  4.1761  -4.954994      7.399196  
1 1 1 -12 15  21 o 37.150  4.7487  762.592    186.702  1040.35    328.321  629.850    226.972  43.039  7.3043  33.411  6.5061  9.627914       9.781753  
1 1 1 -12 15  22 o 119.721 3.0864  7780.68    400.221  7383.67    782.545  7921.31    465.740  116.037 6.2495  120.751 3.5611  -4.713890      7.192893  
1 1 1 -12 15  23 o 254.019 4.6544  35199.02   1280.55  32828.37   2553.40  35995.61   1480.14  242.378 9.7265  256.590 5.3259  -14.21176      11.08916  
1 1 1 -12 15  24 o 155.663 3.4059  13189.68   574.237  11776.60   1124.20  13688.53   667.949  145.842 7.1169  158.456 3.8919  -12.61424      8.111559  
1 1 1 -12 15  25 o 145.681 3.3910  11564.57   535.057  11470.06   1074.32  11595.75   617.027  143.699 6.9026  145.730 3.9092  -2.030029      7.932652  
1 1 1 -12 15  26 o 57.445  3.8843  1813.10    240.254  1877.45    492.406  1793.00    275.240  57.110  8.1954  56.986  4.4959  0.1240654      9.347659  
1 1 1 -12 15  27 o 48.898  2.2463  1300.09    118.967  1862.69    466.902  1261.03    123.027  56.837  7.7894  48.148  2.3591  8.689133       8.138795  
1 1 1 -12 15  28 f 61.427  3.7994  2079.95    251.541  2099.76    512.846  2073.68    288.646  59.927  8.1095  61.156  4.3868  -1.229115      9.220026  
1 1 1 -12 15  29 o 34.083  6.1306  674.745    217.995  239.238    451.368  807.232    248.954  25.488  10.384  37.253  6.4008  -11.76465      12.19836  
1 1 1 -12 15  30 o 20.239  2.8151  228.440    60.038   196.193    61.878   746.497    248.014  18.653  3.1766  35.543  6.6879  -16.88997      7.403981  
1 1 1 -12 15  31 o 25.269  2.2466  351.733    60.847   485.143    458.828  349.345    61.389   28.423  10.798  25.177  2.2758  3.245743       11.03521  
1 1 1 -12 15  32 o 18.850  1.6533  195.316    33.414   196.308    33.617   113.787    304.718  18.898  1.6592  19.461  8.2737  -0.5634632     8.438397  
1 1 1 -12 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 16  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 16  3  o 593.593 11.462  191437.91  7369.12  191437.91  7369.12  0.0000     0.0000   593.593 11.462  ?       ?       0.000000       11.46189  
1 1 1 -12 16  4  o 326.562 6.5064  57815.85   2301.33  57815.85   2301.33  0.0000     0.0000   326.562 6.5064  ?       ?       0.000000       6.506444  
1 1 1 -12 16  5  o 292.368 5.1893  46325.68   1643.26  46190.03   1896.46  46734.39   3291.76  291.903 5.9984  293.330 10.361  -1.426575      11.97211  
1 1 1 -12 16  6  o 533.635 8.7054  154562.41  5031.56  149946.59  5809.00  168427.91  10068.02 525.386 10.208  555.382 16.737  -29.99585      19.60464  
1 1 1 -12 16  7  o 199.025 3.7143  21461.06   800.682  20600.46   923.099  24075.64   1608.97  194.977 4.3711  210.678 7.0511  -15.70113      8.296073  
1 1 1 -12 16  8  o 392.800 6.6187  83687.96   2815.86  80987.94   3250.83  91801.04   5635.12  386.298 7.7697  410.545 12.673  -24.24741      14.86497  
1 1 1 -12 16  9  o 563.955 9.3657  172848.80  5720.77  171902.30  6605.44  175689.30  11443.25 562.069 10.850  565.601 18.680  -3.532410      21.60229  
1 1 1 -12 16  10 o 473.277 9.1596  121770.00  4695.29  124970.70  5751.24  115373.30  8130.46  479.031 11.085  458.756 16.363  20.27509       19.76415  
1 1 1 -12 16  11 o 277.241 5.7180  41695.39   1717.00  40024.61   2103.11  45034.91   2973.33  271.500 7.1519  287.696 9.5420  -16.19635      11.92472  
1 1 1 -12 16  12 f 221.779 4.1932  26663.46   1007.25  25790.67   1163.42  29275.48   2012.67  218.078 4.9256  232.081 8.0069  -14.00352      9.400597  
1 1 1 -12 16  13 o 147.290 3.2721  11756.58   522.002  11972.73   605.423  11130.37   1030.51  148.621 3.7610  143.161 6.6459  5.459930       7.636326  
1 1 1 -12 16  14 o 206.364 4.0187  23088.70   898.231  22776.23   1038.94  24013.62   1787.45  204.921 4.6809  210.122 7.8540  -5.200470      9.143138  
1 1 1 -12 16  15 o 109.016 3.0647  6440.67    361.867  6513.79    422.658  6239.91    700.351  109.619 3.5599  107.020 6.0670  2.598770       7.034239  
1 1 1 -12 16  16 o 37.333  3.8884  763.908    154.922  931.641    260.742  672.385    192.605  40.976  6.0577  34.805  5.2744  6.170441       8.032127  
1 1 1 -12 16  17 o 226.520 4.2352  27833.38   1039.07  25480.30   2073.74  28622.19   1200.67  216.135 8.8584  229.651 4.8271  -13.51538      10.08825  
1 1 1 -12 16  18 o 221.782 4.1968  26686.54   1008.12  24993.65   2014.42  27252.20   1164.43  213.985 8.6915  224.057 4.7983  -10.07149      9.928055  
1 1 1 -12 16  19 o 135.482 3.1821  9952.45    466.941  9696.95    924.260  10040.01   541.068  133.486 6.3927  136.049 3.6718  -2.563065      7.372222  
1 1 1 -12 16  20 o 50.323  3.6784  1381.47    199.104  946.146    364.417  1566.71    237.722  40.839  8.5145  53.562  4.1296  -12.72305      9.463142  
1 1 1 -12 16  21 o 85.056  3.0112  3924.61    277.408  3897.93    531.064  3934.63    325.320  84.368  5.8477  85.138  3.5279  -0.7692947     6.829495  
1 1 1 -12 16  22 o 79.215  3.0299  3406.19    259.957  3275.60    494.555  3456.05    305.578  77.198  5.9609  79.758  3.5373  -2.559883      6.931462  
1 1 1 -12 16  23 o 103.389 3.0076  5806.92    336.794  4434.70    641.466  6329.15    395.725  89.574  6.6595  107.894 3.3863  -18.31980      7.470991  
1 1 1 -12 16  24 o 136.892 3.1981  10194.97   474.177  8820.47    921.308  10690.26   553.051  126.163 6.7669  140.083 3.6451  -13.91969      7.686213  
1 1 1 -12 16  25 o 35.120  5.7189  696.383    210.050  1024.18    435.954  597.278    239.709  41.626  9.8271  32.178  7.0709  9.448544       12.10658  
1 1 1 -12 16  26 o 26.581  6.9585  409.528    202.684  947.437    418.929  245.136    231.594  39.805  9.7858  22.052  7.7833  17.75352       12.50364  
1 1 1 -12 16  27 o 48.063  1.9675  1254.91    102.424  1177.25    456.963  1259.02    105.098  44.192  9.8036  48.138  2.0158  -3.945930      10.00865  
1 1 1 -12 16  28 o 30.555  1.2900  506.422    42.692   516.511    43.428   216.302    232.887  30.857  1.2994  21.148  7.7604  9.708746       7.868444  
1 1 1 -12 16  29 o 55.684  4.0916  1721.90    245.044  1524.14    501.311  1783.98    280.888  49.694  9.6619  56.491  4.6315  -6.797073      10.71461  
1 1 1 -12 16  30 o 77.609  2.8246  3298.72    237.430  3415.88    337.774  3184.29    333.814  78.446  3.9886  75.687  4.0872  2.758789       5.710867  
1 1 1 -12 16  31 o 18.463  7.3434  135.497    219.943  539.558    442.704  3.0802     253.433  29.208  10.702  16.893  7.3650  12.31444       12.99172  
1 1 1 -12 16  32 o ?       ?       -188.2124  31.243   -194.2822  31.411   375.434    302.690  ?       ?       24.346  8.8604  0.000000       8.860390  
1 1 1 -12 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 17  1  o 500.336 16.824  136522.30  9117.21  136522.30  9117.21  0.0000     0.0000   500.336 16.824  ?       ?       0.000000       16.82403  
1 1 1 -12 17  2  o 169.965 6.9511  15663.33   1279.62  15663.33   1279.62  0.0000     0.0000   169.965 6.9511  ?       ?       0.000000       6.951085  
1 1 1 -12 17  3  o 112.993 5.8487  6938.79    713.332  6938.79    713.332  0.0000     0.0000   112.993 5.8487  ?       ?       0.000000       5.848715  
1 1 1 -12 17  4  o 128.487 3.0761  8942.68    428.087  9104.03    483.725  8359.86    919.368  129.637 3.4451  123.976 6.8736  5.660133       7.688624  
1 1 1 -12 17  5  o 400.998 6.8952  87198.79   2994.72  89514.91   3457.08  80235.55   5994.25  406.207 7.8576  383.781 14.421  22.42523       16.42237  
1 1 1 -12 17  6  o 429.409 7.1646  100014.20  3332.22  96092.50   3846.81  111801.50  6669.11  420.778 8.4407  453.089 13.590  -32.31110      15.99777  
1 1 1 -12 17  7  o 403.332 7.3685  88257.06   3218.93  87683.69   3444.98  92200.94   9035.03  401.965 7.9128  409.804 20.356  -7.839630      21.83944  
1 1 1 -12 17  8  o 164.477 3.3160  14656.35   590.729  13540.95   681.101  18042.84   1186.78  158.080 3.9780  182.408 6.0070  -24.32758      7.204728  
1 1 1 -12 17  9  o 90.648  2.7445  4451.33    269.460  4209.25    309.979  5200.02    545.125  88.143  3.2469  97.800  5.1645  -9.657005      6.100407  
1 1 1 -12 17  10 o 530.404 10.224  153104.00  5873.63  154305.09  7194.10  150702.80  10172.31 531.839 12.489  523.568 17.938  8.270630       21.85746  
1 1 1 -12 17  11 o 408.348 7.9466  90603.27   3514.66  89036.30   4304.91  93735.66   6086.57  404.446 9.8273  414.032 13.573  -9.585663      16.75696  
1 1 1 -12 17  12 o 151.497 3.3607  12437.41   551.444  12032.68   639.822  13606.42   1087.39  148.992 3.9648  158.324 6.3411  -9.331909      7.478631  
1 1 1 -12 17  13 o 184.975 3.6858  18545.95   738.440  17875.62   853.468  20542.15   1472.80  181.571 4.3398  194.454 6.9929  -12.88347      8.230064  
1 1 1 -12 17  14 o 118.337 3.0619  7588.70    392.443  7255.75    455.233  8552.13    774.370  115.696 3.6328  125.522 5.6959  -9.825714      6.755767  
1 1 1 -12 17  15 o 102.605 2.6576  5704.43    295.346  5544.83    387.220  5926.42    456.689  101.138 3.5349  104.545 4.0332  -3.406952      5.363010  
1 1 1 -12 17  16 o 275.597 4.9094  41216.65   1465.47  42795.59   2930.62  40690.18   1692.23  280.011 9.6631  273.734 5.7077  6.276825       11.22287  
1 1 1 -12 17  17 o 164.771 3.4732  14719.30   619.844  15252.76   1239.52  14541.42   715.766  167.461 6.8339  163.740 4.0360  3.721100       7.936693  
1 1 1 -12 17  18 o 115.590 3.0658  7242.98    383.821  7629.58    754.409  7107.96    445.836  118.477 5.8790  114.486 3.5954  3.990311       6.891286  
1 1 1 -12 17  19 o 131.600 3.1571  9390.20    449.993  8689.47    877.626  9640.13    524.135  126.190 6.4426  133.313 3.6299  -7.123062      7.394855  
1 1 1 -12 17  20 o 101.322 2.9911  5567.12    328.247  4919.12    635.172  5803.24    383.414  94.832  6.2184  103.427 3.4227  -8.594955      7.098089  
1 1 1 -12 17  21 o 90.673  2.7806  4459.14    273.076  3952.73    452.299  4749.62    342.556  85.093  4.9286  93.547  3.3809  -8.453964      5.976786  
1 1 1 -12 17  22 o 90.589  3.0209  4454.80    296.398  3775.97    560.176  4718.75    349.299  82.842  6.2902  93.199  3.4603  -10.35771      7.179122  
1 1 1 -12 17  23 o 159.486 3.3884  13830.58   585.320  11746.30   1152.12  14555.69   679.549  145.913 7.2901  163.520 3.8369  -17.60677      8.238153  
1 1 1 -12 17  24 o 65.253  3.3229  2323.44    234.074  2347.82    433.507  2313.41    278.099  64.988  6.2353  65.008  3.9687  -0.1961517E-01 7.391183  
1 1 1 -12 17  25 o 69.117  3.4806  2610.79    259.723  3187.02    535.373  2433.44    297.015  75.541  6.6099  66.594  4.1383  8.946503       7.798514  
1 1 1 -12 17  26 o 35.043  1.3535  665.871    51.373   685.269    52.702   295.928    230.158  35.549  1.3688  23.379  7.7740  12.17033       7.893610  
1 1 1 -12 17  27 o 19.067  7.1300  160.709    198.286  742.737    413.249  -13.3695   226.002  35.092  10.239  16.215  7.0125  18.87673       12.40985  
1 1 1 -12 17  28 o 22.340  1.7402  272.737    41.776   270.247    42.464   347.730    233.054  22.233  1.7783  24.627  7.7956  -2.394150      7.995869  
1 1 1 -12 17  29 o 39.271  5.3649  878.701    222.227  653.771    460.979  946.801    253.647  32.597  11.003  40.571  5.9490  -7.973434      12.50850  
1 1 1 -12 17  30 f 27.854  1.4715  422.643    44.236   427.194    45.002   292.215    240.903  28.002  1.4891  22.906  7.9479  5.096329       8.086233  
1 1 1 -12 17  31 o 39.810  5.6586  926.466    237.119  1494.88    482.341  745.320    272.293  47.835  9.6428  34.721  7.4627  13.11408       12.19324  
1 1 1 -12 17  32 o 33.676  1.9310  622.451    70.136   621.825    71.857   635.065    322.414  33.647  1.9805  30.332  9.0940  3.315331       9.307115  
1 1 1 -12 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 18  1  o 430.204 8.5389  100416.40  3978.74  98748.68   4873.20  103750.80  6890.67  426.406 10.552  436.506 14.575  -10.09995      17.99334  
1 1 1 -12 18  2  o 252.058 9.1765  34481.81   2505.23  34481.81   2505.23  0.0000     0.0000   252.058 9.1765  ?       ?       0.000000       9.176487  
1 1 1 -12 18  3  o 533.562 12.555  154820.41  7255.46  148650.09  10259.28 160994.20  10262.28 521.632 18.159  543.040 17.448  -21.40802      25.18255  
1 1 1 -12 18  4  o 133.466 4.4598  9652.15    644.703  10595.35   868.955  8497.22    961.555  139.810 5.7384  124.970 7.1335  14.83976       9.155068  
1 1 1 -12 18  5  o 299.766 5.6899  48709.88   1847.40  48196.15   1986.15  52006.04   5030.94  298.157 6.1503  308.866 15.039  -10.70886      16.24770  
1 1 1 -12 18  6  o 239.307 4.4557  31033.04   1154.89  32144.87   1332.38  27673.89   2315.92  243.535 5.0512  225.737 9.4722  17.79822       10.73489  
1 1 1 -12 18  7  o 106.931 2.8837  6194.04    333.978  6243.26    384.356  6042.34    674.796  107.351 3.3057  105.398 5.9353  1.952202       6.793725  
1 1 1 -12 18  8  o 333.936 5.7191  60465.59   2068.52  58559.09   2387.70  66200.81   4141.29  328.552 6.7097  348.835 10.961  -20.28204      12.85153  
1 1 1 -12 18  9  o 213.462 3.9126  24692.45   904.595  24107.29   1043.62  26460.31   1813.97  210.892 4.5689  220.771 7.5861  -9.879395      8.855702  
1 1 1 -12 18  10 o 643.105 12.347  225626.41  8600.15  216681.70  10532.97 243516.00  14895.94 628.923 15.463  663.721 20.721  -34.79865      25.85450  
1 1 1 -12 18  11 o 77.887  3.3195  3287.22    280.030  3199.65    350.726  3441.23    465.097  76.712  4.2376  79.466  5.4363  -2.754692      6.892840  
1 1 1 -12 18  12 o 138.828 3.2084  10443.71   482.426  10693.30   560.580  9731.11    947.216  140.463 3.6847  133.881 6.5322  6.582520       7.499796  
1 1 1 -12 18  13 o 125.686 3.0595  8560.15    416.488  8712.47    484.329  8127.82    815.977  126.786 3.5269  122.199 6.1852  4.587120       7.120130  
1 1 1 -12 18  14 o 165.071 3.1233  14766.73   558.402  14444.56   725.145  15236.11   875.270  163.219 4.1019  167.592 4.8219  -4.373795      6.330580  
1 1 1 -12 18  15 o 339.073 5.8950  62431.95   2164.94  60563.82   3062.71  64297.60   3060.67  333.479 8.4794  343.662 8.2227  -10.18314      11.81160  
1 1 1 -12 18  16 o 163.285 3.4446  14453.47   609.197  14595.21   1217.72  14406.15   703.569  163.839 6.8622  162.990 3.9854  0.8488922      7.935572  
1 1 1 -12 18  17 o 310.098 5.4407  52221.13   1827.36  51408.25   3652.77  52492.48   2110.43  306.362 11.008  310.761 6.2701  -4.398956      12.66865  
1 1 1 -12 18  18 o 105.064 2.9772  5983.59    338.789  6246.42    664.020  5891.09    393.918  107.053 5.7478  104.230 3.4893  2.823814       6.724046  
1 1 1 -12 18  19 o 138.355 3.2712  10380.31   490.205  10794.83   943.034  10226.84   573.823  140.851 6.1816  137.293 3.8589  3.557404       7.287148  
1 1 1 -12 18  20 o 53.704  3.5370  1571.66    204.586  1301.92    377.766  1683.61    243.364  48.274  7.4660  55.538  4.0741  -7.264370      8.505259  
1 1 1 -12 18  21 o 48.535  2.3857  1277.18    125.415  1625.01    366.963  1231.17    133.451  54.196  6.3733  47.578  2.5995  6.618237       6.883024  
1 1 1 -12 18  22 o 96.812  2.9285  5087.44    307.079  4889.48    572.414  5167.43    363.870  94.456  5.6205  97.527  3.4447  -3.071350      6.592141  
1 1 1 -12 18  23 o 109.117 3.0571  6469.70    361.303  6533.99    703.333  6446.65    421.114  108.983 5.9813  108.855 3.5717  0.1277695      6.966582  
1 1 1 -12 18  24 o 59.893  3.4425  1959.65    222.377  1969.36    420.439  1955.88    262.029  59.350  6.6552  59.732  4.0745  -0.3821907     7.803418  
1 1 1 -12 18  25 o 37.304  5.2927  779.873    207.850  648.567    431.787  819.476    237.133  33.585  10.609  38.100  5.9401  -4.515305      12.15863  
1 1 1 -12 18  26 o 93.138  3.2068  4731.48    323.500  4683.23    656.339  4746.96    371.798  91.364  6.6788  93.185  3.6838  -1.820724      7.627391  
1 1 1 -12 18  27 f 98.493  3.2669  5299.81    348.507  5384.53    691.753  5270.99    403.450  97.789  6.5693  98.074  3.7981  -0.2853775     7.588255  
1 1 1 -12 18  28 o 44.508  4.7325  1108.82    224.637  1696.75    465.082  929.924    256.547  53.634  8.2721  40.290  6.0672  13.34444       10.25856  
1 1 1 -12 18  29 o 70.925  3.5865  2774.36    274.621  2871.45    560.650  2743.71    314.997  70.100  7.5006  70.316  4.1545  -0.2156830     8.574322  
1 1 1 -12 18  30 o 38.418  1.9388  805.696    80.413   369.762    462.442  819.289    81.657   27.239  10.707  38.739  1.9524  -11.50046      10.88326  
1 1 1 -12 18  31 o 19.255  7.3121  180.627    210.347  -377.3607  445.167  341.018    238.671  17.884  8.4921  23.768  7.9171  -5.883936      11.61019  
1 1 1 -12 18  32 o ?       ?       -348.7119  38.035   -352.4748  38.356   -126.5373  294.724  ?       ?       15.928  7.3459  0.000000       7.345916  
1 1 1 -12 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 19  1  o 619.339 11.832  208508.80  7937.11  208508.80  7937.11  0.0000     0.0000   619.339 11.832  ?       ?       0.000000       11.83215  
1 1 1 -12 19  2  o 575.859 9.6889  180041.09  6043.13  180172.59  6977.04  179646.20  12091.27 575.826 11.187  573.026 19.482  2.800354       22.46518  
1 1 1 -12 19  3  o 440.661 10.488  105479.70  5005.64  101449.40  7077.35  109513.80  7080.73  431.452 15.145  448.375 14.580  -16.92386      21.02272  
1 1 1 -12 19  4  o 226.555 6.9747  27835.15   1711.48  26564.55   2111.54  30268.59   2922.18  221.232 8.8121  235.973 11.433  -14.74129      14.43522  
1 1 1 -12 19  5  o 402.950 9.7082  88182.53   4237.03  88711.24   5990.16  87653.14   5993.98  403.586 13.704  401.156 13.795  2.429382       19.44472  
1 1 1 -12 19  6  o 449.049 7.5688  109404.80  3681.20  109453.40  4249.83  109258.60  7366.79  449.010 8.7387  447.488 15.199  1.521423       17.53243  
1 1 1 -12 19  7  o 262.779 4.7268  37425.26   1345.31  36989.94   1552.87  38735.04   2693.60  261.210 5.4888  267.033 9.3132  -5.823151      10.81025  
1 1 1 -12 19  8  o 271.209 4.8557  39870.49   1426.34  40022.85   1647.11  39413.65   2852.09  271.685 5.5974  269.269 9.7793  2.416412       11.26788  
1 1 1 -12 19  9  o 438.297 7.0100  104260.10  3327.77  97278.70   3841.70  125242.70  6660.14  423.171 8.3818  479.163 12.833  -55.99124      15.32781  
1 1 1 -12 19  10 o 241.349 5.2323  31587.91   1367.76  29553.41   1677.99  35615.96   2361.06  233.351 6.6391  255.990 8.5156  -22.63885      10.79782  
1 1 1 -12 19  11 o 241.855 5.1243  31722.65   1342.34  31904.03   1644.50  31360.54   2323.66  242.460 6.2621  240.121 8.9345  2.338608       10.91055  
1 1 1 -12 19  12 o 156.981 3.4027  13354.75   578.550  12880.27   670.523  14737.22   1144.54  154.146 4.0161  164.762 6.4137  -10.61507      7.567327  
1 1 1 -12 19  13 o 104.046 2.6711  5865.36    301.010  5471.67    395.033  6410.42    464.813  100.473 3.6301  108.742 3.9465  -8.269081      5.362098  
1 1 1 -12 19  14 o 53.185  3.2526  1538.77    186.465  1167.43    269.892  1877.89    257.918  46.051  5.5211  58.709  4.0814  -12.65844      6.865952  
1 1 1 -12 19  15 f 365.381 6.2780  72523.62   2484.51  72940.62   3514.92  72107.23   3512.33  365.865 8.8700  363.758 8.9148  2.107513       12.57582  
1 1 1 -12 19  16 o 270.246 4.8560  39631.21   1421.38  37912.45   2011.47  41345.44   2008.82  264.028 7.0338  275.773 6.7254  -11.74503      9.731701  
1 1 1 -12 19  17 o 297.951 5.2277  48201.39   1687.03  44593.87   3366.21  49411.39   1949.53  285.349 10.892  301.549 5.9690  -16.19928      12.42003  
1 1 1 -12 19  18 o 186.227 3.7152  18809.86   749.375  18406.76   1492.08  18945.83   866.597  183.793 7.4954  186.852 4.2820  -3.059158      8.632284  
1 1 1 -12 19  19 o 219.303 4.1466  26102.52   984.945  23785.97   1963.65  26881.27   1138.53  208.572 8.6923  222.478 4.7248  -13.90562      9.893457  
1 1 1 -12 19  20 o 130.518 3.1585  9239.79    446.503  9138.21    880.029  9275.00    518.149  129.500 6.2742  130.731 3.6594  -1.231369      7.263346  
1 1 1 -12 19  21 o 106.782 2.8377  6185.17    328.199  5444.71    620.950  6472.22    386.614  99.765  5.7712  109.202 3.2687  -9.437073      6.632607  
1 1 1 -12 19  22 o 55.018  3.4544  1651.06    204.804  1242.17    389.451  1807.36    240.788  46.870  7.9562  57.521  3.8878  -10.65089      8.855243  
1 1 1 -12 19  23 o 22.404  6.7318  279.174    176.529  727.036    319.983  83.229     211.652  35.487  8.4469  17.807  7.1623  17.67972       11.07469  
1 1 1 -12 19  24 o 74.619  3.1500  3029.45    254.581  2306.98    484.662  3304.75    299.178  64.148  7.0945  77.887  3.5465  -13.73892      7.931508  
1 1 1 -12 19  25 o 53.304  2.3549  1543.61    135.957  1560.05    159.205  1499.30    261.298  53.486  2.7576  52.090  4.6814  1.395866       5.433155  
1 1 1 -12 19  26 o 60.293  3.7624  1995.76    244.473  2534.74    505.212  1830.96    279.359  66.913  7.0784  57.565  4.5168  9.348011       8.396749  
1 1 1 -12 19  27 o 23.068  1.9310  291.087    47.802   283.696    48.758   473.992    242.549  22.763  1.9978  28.399  7.6943  -5.636269      7.949389  
1 1 1 -12 19  28 o 69.274  2.7126  2618.72    203.527  2574.02    546.472  2625.92    219.305  66.550  7.7251  69.328  2.9206  -2.777542      8.258769  
1 1 1 -12 19  29 o 88.447  2.9121  4281.55    278.967  4789.79    437.825  3934.20    361.954  92.950  4.3489  84.408  3.9591  8.542358       5.881148  
1 1 1 -12 19  30 o 20.200  7.3324  209.377    207.101  203.548    439.424  211.042    234.816  24.392  10.123  20.757  7.7596  3.634594       12.75468  
1 1 1 -12 19  31 o 19.772  7.3600  202.000    210.813  755.266    449.871  46.320     238.637  33.012  10.864  17.118  7.3006  15.89438       13.08875  
1 1 1 -12 19  32 o 55.052  2.8042  1681.71    166.652  1607.10    186.921  1970.83    367.966  53.602  3.2348  57.249  6.0247  -3.647800      6.838205  
1 1 1 -12 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 20  1  o 405.314 6.9485  89085.60   3050.37  91341.98   3521.22  82300.41   6106.16  410.332 7.9230  388.698 14.504  21.63428       16.52687  
1 1 1 -12 20  2  o 657.088 11.967  234760.91  8517.13  243296.80  10129.18 214161.09  15735.55 668.438 13.991  624.136 23.277  44.30121       27.15834  
1 1 1 -12 20  3  o 300.326 5.3587  48885.68   1743.08  50146.80   2011.55  45084.37   3492.37  304.137 6.1065  288.015 11.195  16.12241       12.75240  
1 1 1 -12 20  4  o 549.220 12.850  164157.80  7643.96  153475.91  10808.11 174848.00  10812.28 529.563 18.844  565.596 17.650  -36.03345      25.81849  
1 1 1 -12 20  5  o 476.993 11.351  123714.40  5864.34  124561.70  8292.21  122866.50  8294.63  477.668 16.028  474.379 16.144  3.288971       22.74881  
1 1 1 -12 20  6  o 509.143 12.076  141073.80  6659.20  141628.09  9416.05  140519.09  9419.01  508.900 17.083  506.882 17.156  2.017517       24.21108  
1 1 1 -12 20  7  o 405.132 6.7809  89036.28   2975.45  85826.58   3434.91  98684.56   5955.35  397.634 7.9756  425.574 12.920  -27.94019      15.18340  
1 1 1 -12 20  8  o 99.024  2.8765  5312.14    308.518  5779.77    355.703  3891.95    619.882  103.287 3.1796  84.418  6.8383  18.86885       7.541403  
1 1 1 -12 20  9  o 549.686 9.1512  164257.00  5448.32  164047.80  6291.18  164884.59  10896.63 548.984 10.580  547.589 18.372  1.395630       21.20123  
1 1 1 -12 20  10 o 318.252 7.2667  54997.52   2504.81  54056.15   2778.84  59076.76   5784.58  315.410 8.1343  328.087 16.278  -12.67776      18.19763  
1 1 1 -12 20  11 o 84.545  3.2336  3873.22    296.101  3866.22    365.267  3886.64    505.688  84.456  3.9931  84.462  5.5589  -0.5790710E-02 6.844385  
1 1 1 -12 20  12 o 154.344 3.4121  12910.03   570.397  12148.64   661.233  15124.26   1127.62  149.701 4.0781  166.918 6.2372  -17.21721      7.452081  
1 1 1 -12 20  13 o 160.585 3.3989  13976.29   591.175  14035.91   842.260  13918.40   829.970  160.863 4.8341  160.191 4.7836  0.6721191      6.800843  
1 1 1 -12 20  14 o 131.982 3.1424  9440.27    449.205  9029.38    638.098  9843.97    632.483  129.025 4.5661  134.730 4.3342  -5.704651      6.295604  
1 1 1 -12 20  15 o 258.112 4.6251  36140.59   1292.99  37001.59   1830.35  35282.93   1826.79  260.955 6.4759  254.803 6.6193  6.151505       9.260242  
1 1 1 -12 20  16 o 339.324 5.8352  62538.73   2144.59  61862.20   3034.00  63214.29   3031.82  336.974 8.3128  340.659 8.2170  -3.685883      11.68854  
1 1 1 -12 20  17 o 150.109 3.2951  12215.52   535.723  11186.49   1061.52  12567.17   620.545  143.399 6.8346  152.230 3.7636  -8.830933      7.802316  
1 1 1 -12 20  18 o 139.302 3.1877  10520.77   480.961  9027.64    944.745  11043.13   558.794  128.604 6.8067  142.696 3.6155  -14.09167      7.707371  
1 1 1 -12 20  19 o 105.324 2.9749  6014.42    339.371  5501.38    663.091  6196.50    395.029  100.358 6.1297  106.886 3.4122  -6.527893      7.015403  
1 1 1 -12 20  20 o 98.996  2.8539  5314.35    306.003  5111.08    543.153  5408.87    370.376  96.799  5.1996  99.844  3.4249  -3.044716      6.226269  
1 1 1 -12 20  21 o 89.255  2.7446  4321.11    265.325  4224.59    563.503  4348.60    300.749  87.794  5.9613  89.518  3.1019  -1.724449      6.720046  
1 1 1 -12 20  22 o 126.861 3.1784  8740.50    436.716  9074.31    901.099  8638.02    499.270  128.521 6.4944  126.057 3.6568  2.464462       7.453130  
1 1 1 -12 20  23 o 117.158 3.0494  7459.69    386.952  7092.19    761.620  7587.56    449.255  113.442 6.2224  118.090 3.5124  -4.648033      7.145271  
1 1 1 -12 20  24 o 185.308 3.8726  18730.45   777.266  16924.42   1858.97  19113.08   855.649  172.437 9.9963  187.064 4.2231  -14.62663      10.85173  
1 1 1 -12 20  25 o 78.685  3.2970  3374.11    280.986  3176.45    573.407  3436.57    322.340  75.179  7.1272  79.337  3.7512  -4.158150      8.054064  
1 1 1 -12 20  26 o 136.702 3.3445  10200.45   495.195  10562.27   987.021  10078.74   572.455  137.531 6.6261  135.693 3.8950  1.837296       7.686104  
1 1 1 -12 20  27 o 73.035  3.5216  2919.35    278.573  3072.33    555.701  2868.01    321.948  73.470  7.0706  72.132  4.1381  1.337143       8.192575  
1 1 1 -12 20  28 f 16.957  6.8920  77.601     198.235  -176.6733  421.040  150.020    224.697  19.814  9.0020  19.353  7.5039  0.4610653      11.71940  
1 1 1 -12 20  29 o 20.749  1.8138  235.884    40.353   233.121    40.967   325.886    233.812  20.621  1.8541  23.849  7.8310  -3.228285      8.047485  
1 1 1 -12 20  30 o 46.227  4.6869  1206.67    231.419  858.911    487.647  1307.76    262.910  35.971  11.261  47.948  5.1429  -11.97675      12.38023  
1 1 1 -12 20  31 o 24.121  2.5712  322.957    66.138   976.795    469.742  309.733    66.804   37.197  10.934  23.596  2.6603  13.60105       11.25315  
1 1 1 -12 20  32 o 25.514  8.2394  429.124    259.350  144.049    468.528  555.063    311.412  22.468  9.8983  28.408  9.0133  -5.940557      13.38718  
1 1 1 -12 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 21  1  o 172.210 3.8481  16067.38   717.753  15797.29   797.362  17221.01   1647.89  170.748 4.3115  178.136 8.5410  -7.388489      9.567509  
1 1 1 -12 21  2  o 392.857 6.8509  83695.58   2915.10  86537.39   3365.08  75150.07   5835.35  399.392 7.7790  371.381 14.507  28.01169       16.46105  
1 1 1 -12 21  3  o 136.551 3.0125  10100.58   445.547  9534.32    511.537  11880.42   906.896  132.661 3.5601  148.044 5.6558  -15.38264      6.683038  
1 1 1 -12 21  4  o 403.405 6.7961  88255.34   2969.40  86969.00   3427.54  92125.48   5945.21  400.353 7.9044  411.319 13.345  -10.96582      15.51025  
1 1 1 -12 21  5  o 673.191 15.814  247423.00  11530.74 248969.20  16305.94 245876.41  16307.92 672.570 22.384  668.309 22.529  4.260437       31.75881  
1 1 1 -12 21  6  o 558.340 15.838  170303.91  9578.05  167881.30  11401.59 176113.41  17655.71 553.291 19.026  561.313 29.141  -8.021912      34.80209  
1 1 1 -12 21  7  o 193.610 5.3495  20322.16   1121.78  19356.74   1582.78  21296.57   1590.13  188.842 7.7384  198.098 7.4111  -9.255234      10.71481  
1 1 1 -12 21  8  o 87.888  4.0269  4185.96    383.324  4518.75    537.187  3840.71    547.154  91.125  5.4680  83.932  6.0596  7.193367       8.161979  
1 1 1 -12 21  9  o 309.395 5.4365  51912.16   1821.82  51698.10   2104.09  52553.28   3641.36  308.683 6.2933  310.661 10.822  -1.977966      12.51883  
1 1 1 -12 21  10 o 209.867 4.6464  23878.96   1056.16  24071.57   1295.52  23497.30   1823.69  210.654 5.6781  207.946 8.0971  2.707367       9.889620  
1 1 1 -12 21  11 o 62.951  3.4711  2154.07    235.755  2224.67    296.658  2033.07    388.394  63.915  4.3105  60.920  5.9627  2.994709       7.357618  
1 1 1 -12 21  12 o 515.915 8.5243  144797.30  4763.27  147716.70  6736.90  141879.09  6735.66  519.955 11.963  509.484 12.206  10.47034       17.09075  
1 1 1 -12 21  13 o 276.540 4.9320  41483.72   1477.23  39964.43   2090.41  42999.28   2087.84  271.185 7.1170  281.329 6.8519  -10.14386      9.879276  
1 1 1 -12 21  14 f 212.780 4.0638  24549.08   936.549  22036.85   1324.48  27061.33   1324.48  201.447 6.0703  223.291 5.4765  -21.84392      8.175668  
1 1 1 -12 21  15 o 245.365 4.5927  32659.09   1220.53  32411.69   1862.61  32845.27   1615.77  244.154 7.0435  245.908 6.0665  -1.754227      9.295853  
1 1 1 -12 21  16 o 181.653 3.5990  17890.28   708.099  17853.14   1003.55  17927.10   999.270  181.361 5.1089  181.738 5.0765  -0.3778687     7.202207  
1 1 1 -12 21  17 o 215.240 4.3181  25135.21   1006.66  24349.53   1891.37  25445.75   1189.07  211.334 8.2630  216.490 5.0711  -5.156128      9.694972  
1 1 1 -12 21  18 o 165.635 3.4895  14877.82   626.009  15441.13   1245.04  14687.22   724.212  168.417 6.8254  164.531 4.0640  3.885986       7.943655  
1 1 1 -12 21  19 o 76.042  3.0341  3135.33    249.889  3631.42    480.855  2951.78    292.486  81.542  5.4763  73.762  3.6610  7.780029       6.587372  
1 1 1 -12 21  20 o 65.653  3.1990  2338.26    227.477  2805.83    444.850  2172.71    264.702  71.550  5.7899  63.142  3.8894  8.408024       6.975029  
1 1 1 -12 21  21 o 94.862  2.8220  4881.89    289.945  4707.96    614.186  4931.77    328.901  92.654  6.1552  95.323  3.1857  -2.668777      6.930741  
1 1 1 -12 21  22 o 93.397  2.9897  4736.33    302.429  4559.80    598.711  4796.81    350.422  91.065  6.1054  93.951  3.4437  -2.885895      7.009638  
1 1 1 -12 21  23 o 55.940  2.3880  1698.44    144.683  1682.86    177.704  1729.07    249.188  55.571  2.9631  56.169  4.1248  -0.5984993     5.078811  
1 1 1 -12 21  24 o 47.179  3.9565  1222.98    200.307  1293.99    373.592  1194.34    237.300  47.708  7.4755  46.465  4.7836  1.243752       8.875010  
1 1 1 -12 21  25 o 92.702  3.2287  4682.56    324.178  4588.00    646.418  4714.34    374.704  90.651  6.6297  92.922  3.7230  -2.271210      7.603523  
1 1 1 -12 21  26 o 91.281  2.9534  4540.50    291.994  4494.05    464.417  4570.87    375.497  90.244  4.7683  91.401  3.7930  -1.157555      6.092936  
1 1 1 -12 21  27 o 34.199  5.9201  669.585    211.351  1199.00    441.579  512.267    240.713  44.651  9.4267  29.488  7.5149  15.16320       12.05553  
1 1 1 -12 21  28 o 57.793  3.9102  1846.09    243.321  2334.23    505.661  1699.00    277.569  63.425  7.5065  55.187  4.6881  8.237537       8.850184  
1 1 1 -12 21  29 o 69.756  2.6952  2659.50    203.628  2610.00    550.557  2667.34    219.170  66.556  7.7845  69.808  2.8987  -3.252342      8.306636  
1 1 1 -12 21  30 o 17.932  7.0875  122.675    203.684  478.879    436.351  23.437     230.316  28.666  10.605  16.696  7.1478  11.96929       12.78887  
1 1 1 -12 21  31 o 24.615  1.7841  332.106    47.244   128.378    454.483  334.331    47.501   22.827  9.9080  24.698  1.7878  -1.870785      10.06797  
1 1 1 -12 21  32 o 25.962  8.9723  450.902    306.852  235.346    474.164  606.222    402.497  23.607  10.183  29.030  10.259  -5.422384      14.45521  
1 1 1 -12 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 22  1  o 262.067 4.7744  37218.80   1355.20  37105.77   1563.02  37561.12   2720.02  261.639 5.5156  263.000 9.5487  -1.360748      11.02724  
1 1 1 -12 22  2  o 376.544 6.4432  76880.59   2627.75  76453.41   3032.97  78166.58   5262.30  375.417 7.4591  378.978 12.820  -3.561829      14.83213  
1 1 1 -12 22  3  o 443.547 7.9902  106751.80  3838.54  105419.00  4558.72  109999.20  7115.72  440.583 9.5531  449.205 14.625  -8.621704      17.46884  
1 1 1 -12 22  4  o 79.416  2.6610  3416.25    228.883  3285.83    260.100  3863.86    481.854  77.882  3.0834  84.263  5.3068  -6.381210      6.137561  
1 1 1 -12 22  5  o 246.195 4.4870  32846.88   1196.49  33078.80   1380.40  32146.29   2399.20  247.036 5.1591  243.297 9.1046  3.738129       10.46468  
1 1 1 -12 22  6  o 229.238 6.0382  28496.32   1499.22  27832.75   2116.58  29164.48   2123.87  226.397 8.6317  231.762 8.4609  -5.365280      12.08685  
1 1 1 -12 22  7  f 165.172 4.9013  14788.59   876.826  15756.02   1236.38  13809.68   1243.69  170.418 6.6983  159.524 7.1981  10.89474       9.832603  
1 1 1 -12 22  8  o 137.331 4.4627  10222.49   663.800  10904.48   935.877  9532.05    941.658  141.785 6.0942  132.545 6.5593  9.239410       8.953449  
1 1 1 -12 22  9  o 406.875 9.8020  90070.39   4319.62  88810.63   6108.12  91330.76   6109.59  403.051 13.992  408.782 13.799  -5.731171      19.65169  
1 1 1 -12 22  10 o 222.348 4.8264  26806.67   1162.31  26893.46   1426.87  26635.48   2003.86  222.639 5.9172  221.365 8.3577  1.273972       10.24034  
1 1 1 -12 22  11 o 495.162 9.6117  133485.30  5154.89  133784.00  6313.35  132887.80  8928.75  495.062 11.774  491.405 16.776  3.656647       20.49525  
1 1 1 -12 22  12 o 175.173 3.5714  16631.27   677.607  16890.40   958.088  16371.94   958.474  176.462 5.0128  173.728 5.0938  2.733932       7.146675  
1 1 1 -12 22  13 o 390.784 6.6574  82955.15   2817.83  79990.20   3985.41  85918.94   3984.62  383.103 9.6047  397.135 9.2636  -14.03171      13.34409  
1 1 1 -12 22  14 o 294.187 5.1875  46964.25   1652.93  44732.84   2337.84  49194.72   2337.35  286.793 7.5262  300.814 7.1739  -14.02158      10.39753  
1 1 1 -12 22  15 o 145.327 3.2543  11447.49   512.249  11589.21   726.342  11307.25   722.533  146.162 4.5881  144.371 4.6207  1.790695       6.511667  
1 1 1 -12 22  16 o 107.051 2.9450  6210.88    341.464  5799.83    485.716  6612.53    480.140  103.401 4.3370  110.422 4.0146  -7.020279      5.909850  
1 1 1 -12 22  17 o 87.747  2.6797  4172.67    254.679  3992.26    429.991  4270.15    316.086  85.641  4.6531  88.750  3.2883  -3.108681      5.697727  
1 1 1 -12 22  18 o 95.566  2.9370  4950.83    304.009  4425.63    592.606  5138.41    354.163  90.003  6.1154  97.345  3.3591  -7.342361      6.977178  
1 1 1 -12 22  19 o 233.656 4.3622  29643.25   1103.95  29906.35   2205.82  29555.33   1275.14  233.783 8.7114  233.206 5.0483  0.5769653      10.06843  
1 1 1 -12 22  20 o 234.809 4.3677  29956.48   1110.80  32231.14   2222.67  29199.23   1282.44  242.473 8.4634  231.683 5.1106  10.78987       9.886703  
1 1 1 -12 22  21 o 81.324  2.6862  3587.54    236.610  3307.80    526.932  3658.19    264.809  77.549  6.3287  82.106  2.9778  -4.556961      6.994225  
1 1 1 -12 22  22 o 53.080  2.3476  1528.37    134.964  1588.24    151.155  1292.94    299.734  54.100  2.5796  48.269  5.8529  5.831142       6.396122  
1 1 1 -12 22  23 o 112.548 3.0427  6885.38    370.907  7083.70    727.351  6815.69    431.183  113.418 5.9416  111.900 3.5576  1.517380       6.925292  
1 1 1 -12 22  24 o 60.740  3.3906  2015.58    222.170  1556.93    422.416  2190.98    261.219  52.351  7.6781  63.262  3.8304  -10.91103      8.580478  
1 1 1 -12 22  25 o 52.417  2.2781  1492.58    129.334  1534.54    149.786  1369.64    256.403  53.123  2.6032  49.720  4.8218  3.402996       5.479690  
1 1 1 -12 22  26 o 120.591 3.2205  7934.60    420.636  8708.31    850.044  7683.71    484.056  124.876 6.3052  118.505 3.7713  6.370247       7.346989  
1 1 1 -12 22  27 o 63.015  3.7016  2183.68    251.533  2321.31    518.933  2141.41    287.573  63.436  7.7114  62.237  4.2923  1.198429       8.825484  
1 1 1 -12 22  28 o 74.646  2.6393  3040.11    213.383  3544.06    294.155  2480.37    310.009  80.406  3.3777  66.885  4.3021  13.52071       5.469653  
1 1 1 -12 22  29 o 49.483  4.4034  1368.86    233.535  1397.64    488.478  1360.33    265.891  47.283  9.8577  49.079  5.0753  -1.795883      11.08749  
1 1 1 -12 22  30 o 46.134  4.6975  1203.70    231.448  1139.52    486.530  1222.48    263.129  41.478  10.744  46.208  5.3568  -4.730076      12.00514  
1 1 1 -12 22  31 o 38.515  1.7661  808.953    73.676   827.229    77.056   614.226    251.523  38.938  1.8271  31.213  7.5274  7.725700       7.745984  
1 1 1 -12 22  32 o 12.615  6.1712  -443.8416  281.485  -503.3203  439.121  -402.3541  366.743  16.349  7.9329  15.319  7.3882  1.030549       10.84052  
1 1 1 -12 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 23  1  o 351.499 6.0772  66986.89   2313.67  67049.20   2670.10  66799.12   4635.13  351.595 7.0115  350.392 12.213  1.203552       14.08298  
1 1 1 -12 23  2  o 438.337 8.0161  104264.10  3805.78  105907.70  4069.01  92779.52   10755.92 441.723 8.5049  409.416 24.366  32.30649       25.80741  
1 1 1 -12 23  3  o 281.985 5.3834  43101.90   1644.19  43100.67   1769.96  43109.62   4441.13  281.960 5.7957  280.799 14.653  1.161072       15.75785  
1 1 1 -12 23  4  o 458.685 7.6910  114162.90  3820.93  112351.20  4410.84  119609.60  7648.07  454.872 8.9529  468.189 15.082  -13.31760      17.53914  
1 1 1 -12 23  5  o 621.581 10.386  210031.20  6992.09  212339.09  8073.01  203102.41  13988.09 624.608 11.933  607.584 21.256  17.02374       24.37662  
1 1 1 -12 23  6  o 529.816 8.7476  152457.59  5019.79  152156.59  5795.44  153361.91  10044.34 529.035 10.114  529.083 17.528  -0.4748535E-01 20.23663  
1 1 1 -12 23  7  o 531.246 12.520  153827.20  7203.97  147059.80  10185.98 160599.80  10189.92 517.591 18.170  541.202 17.384  -23.61115      25.14611  
1 1 1 -12 23  8  o 180.753 5.6723  17719.31   1110.50  18070.35   1409.93  17145.70   1802.32  182.458 7.1345  177.329 9.4176  5.128174       11.81492  
1 1 1 -12 23  9  f 295.272 7.3980  47344.12   2365.96  47421.79   3344.74  47266.33   3347.21  295.112 10.464  294.624 10.489  0.4879456      14.81631  
1 1 1 -12 23  10 o 363.722 10.415  72063.48   4103.02  72308.26   4934.09  71514.80   7387.12  363.869 12.520  359.419 19.044  4.449768       22.79060  
1 1 1 -12 23  11 o 477.423 9.2336  124054.00  4774.67  117049.70  5847.10  138072.09  8271.84  463.066 11.658  501.536 15.228  -38.47037      19.17784  
1 1 1 -12 23  12 o 276.365 4.9573  41428.70   1483.87  39959.14   2099.47  42895.59   2097.55  271.186 7.1478  281.006 6.8917  -9.820374      9.929069  
1 1 1 -12 23  13 o 146.653 3.2836  11656.11   521.577  11945.20   742.092  11373.88   733.231  148.406 4.6168  144.810 4.6749  3.595184       6.570313  
1 1 1 -12 23  14 o 273.187 4.9079  40490.92   1452.19  38599.40   2054.64  42379.00   2052.77  266.460 7.1192  279.250 6.7870  -12.79016      9.836000  
1 1 1 -12 23  15 f 409.239 6.9829  91062.05   3095.17  87142.30   4378.31  94977.91   4376.14  399.455 10.120  417.174 9.6851  -17.71939      14.00749  
1 1 1 -12 23  16 o 108.281 3.0020  6354.70    352.073  5664.90    500.697  7029.33    495.161  102.182 4.5241  113.847 4.0156  -11.66463      6.049176  
1 1 1 -12 23  17 o 162.873 3.4366  14383.44   606.252  13645.88   861.002  15108.68   853.782  158.534 5.0143  166.839 4.7247  -8.304962      6.889590  
1 1 1 -12 23  18 o 172.649 3.5518  16165.98   664.173  15731.97   1329.18  16310.40   766.760  169.927 7.2219  173.378 4.0832  -3.450470      8.296263  
1 1 1 -12 23  19 o 48.528  3.6926  1285.12    192.629  1787.88    391.308  1124.32    221.299  56.932  6.4603  45.269  4.5763  11.66325       7.916923  
1 1 1 -12 23  20 o 168.811 3.5546  15467.34   649.920  16583.56   1296.64  15092.81   751.084  174.262 6.8698  166.685 4.1603  7.576981       8.031306  
1 1 1 -12 23  21 o 144.563 3.3810  11348.29   529.387  11520.97   1029.91  11286.29   617.157  145.120 6.5524  144.096 3.9543  1.023712       7.653162  
1 1 1 -12 23  22 o 109.157 2.9963  6470.92    354.246  6810.41    710.534  6358.63    408.657  111.379 5.9111  108.151 3.4886  3.227814       6.863801  
1 1 1 -12 23  23 o 90.004  2.9974  4403.27    292.201  3680.60    566.522  4665.20    341.069  81.495  6.4715  92.593  3.4009  -11.09821      7.310685  
1 1 1 -12 23  24 o 53.336  1.8189  1543.16    105.076  1673.68    159.830  1443.81    139.447  55.493  2.6592  51.553  2.4974  3.940559       3.648048  
1 1 1 -12 23  25 o 76.904  2.7789  3218.03    231.465  3789.85    566.031  3103.22    253.641  82.399  6.3924  75.476  3.1027  6.923119       7.105585  
1 1 1 -12 23  26 o 140.551 3.4147  10789.97   519.817  11429.54   1026.15  10569.19   602.896  142.982 6.6261  138.882 4.0080  4.100189       7.743985  
1 1 1 -12 23  27 o 149.424 3.5587  12229.15   575.943  12872.31   1269.36  12062.41   646.300  149.912 7.8449  148.169 4.0272  1.743896       8.818254  
1 1 1 -12 23  28 o 26.668  6.9979  420.203    204.667  237.575    429.877  473.736    232.739  25.243  10.188  28.221  7.4898  -2.977697      12.64509  
1 1 1 -12 23  29 o 56.658  4.0032  1782.73    244.079  1900.58    508.437  1747.44    278.235  56.128  8.6406  55.854  4.6413  0.2740364      9.808235  
1 1 1 -12 23  30 o 27.019  2.0287  400.168    58.935   -92.6233   452.034  408.690    59.442   20.908  9.4297  27.308  2.0242  -6.399302      9.644462  
1 1 1 -12 23  31 o 29.168  1.9440  466.773    61.062   458.900    63.020   587.575    246.860  28.904  2.0258  30.463  7.5258  -1.558504      7.793738  
1 1 1 -12 23  32 o 25.087  9.9766  390.469    405.895  0.0000     0.0000   390.469    405.895  ?       ?       25.087  9.9766  0.000000       9.976613  
1 1 1 -12 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 24  1  f 346.097 6.4137  64955.78   2404.24  65176.20   2578.05  63484.42   6660.79  346.650 6.8664  340.093 18.148  6.556366       19.40358  
1 1 1 -12 24  2  o 219.001 3.9352  25986.90   933.436  25402.38   1075.71  27768.61   1878.08  216.505 4.5873  226.224 7.6649  -9.719482      8.932724  
1 1 1 -12 24  3  o 413.935 7.7012  92975.26   3452.74  92376.16   3693.42  97127.72   9723.68  412.538 8.2660  419.750 21.460  -7.212189      22.99668  
1 1 1 -12 24  4  o 61.552  2.6886  2052.29    179.242  2019.27    202.636  2171.03    384.270  60.975  3.0782  63.024  5.6907  -2.049290      6.469923  
1 1 1 -12 24  5  o 236.757 4.3544  30377.32   1116.61  29771.25   1287.76  32213.67   2241.57  234.354 5.0733  243.570 8.4969  -9.215515      9.896238  
1 1 1 -12 24  6  o 234.278 4.3354  29745.92   1100.10  29193.16   1268.70  31420.95   2208.52  232.061 5.0476  240.532 8.4773  -8.471237      9.866274  
1 1 1 -12 24  7  o 431.351 7.1753  100986.00  3352.31  98484.41   3869.85  108507.40  6710.15  425.802 8.3910  445.776 13.898  -19.97305      16.23448  
1 1 1 -12 24  8  o 260.997 6.6850  36967.64   1889.77  36806.81   2670.68  37128.93   2674.40  260.153 9.4781  261.292 9.4499  -1.139191      13.38419  
1 1 1 -12 24  9  o 347.358 8.4760  65582.77   3188.88  62278.20   4508.07  68892.27   4511.43  337.806 12.321  355.422 11.719  -17.61594      17.00452  
1 1 1 -12 24  10 o 146.505 4.5589  11637.04   723.414  12168.48   1026.70  11113.05   1019.47  149.733 6.3307  143.080 6.5785  6.653366       9.129853  
1 1 1 -12 24  11 o 125.131 4.3048  8488.89    583.422  8314.69    830.064  8658.98    820.190  123.610 6.2198  126.312 5.9952  -2.701881      8.638760  
1 1 1 -12 24  12 o 72.891  3.3485  2879.45    264.361  3315.21    332.816  2134.49    435.159  78.101  3.9472  62.353  6.5409  15.74787       7.639563  
1 1 1 -12 24  13 o 193.232 3.8163  20241.84   798.712  19860.28   1132.20  20619.85   1126.91  191.297 5.4645  194.930 5.3375  -3.633408      7.638699  
1 1 1 -12 24  14 o 323.953 6.0455  56993.38   2121.22  56236.73   3267.53  57544.53   2788.74  321.158 9.3936  325.189 7.9178  -4.030975      12.28538  
1 1 1 -12 24  15 o 97.401  3.0147  5141.55    318.034  4369.27    447.027  5933.06    452.561  89.624  4.6208  104.600 3.9946  -14.97578      6.108121  
1 1 1 -12 24  16 o 230.678 4.2928  28865.83   1072.54  27473.89   1518.72  30250.76   1514.89  224.837 6.2365  235.966 5.9274  -11.12953      8.603923  
1 1 1 -12 24  17 o 84.955  2.9880  3912.19    274.940  4223.86    400.786  3635.14    377.871  88.234  4.1938  81.740  4.2831  6.494293       5.994386  
1 1 1 -12 24  18 o 214.157 4.2699  24890.99   990.432  23043.83   2508.21  25232.22   1078.04  204.418 11.374  215.581 4.6169  -11.16322      12.27496  
1 1 1 -12 24  19 o 126.675 3.1042  8702.22    425.907  9026.29    853.885  8594.89    491.398  128.754 6.1230  125.862 3.6047  2.892883       7.105323  
1 1 1 -12 24  20 f 269.861 4.8754  39611.09   1425.01  38066.98   2849.38  40126.11   1645.58  262.712 10.014  271.421 5.5977  -8.708923      11.47215  
1 1 1 -12 24  21 o 53.795  3.5219  1578.62    204.073  1725.94    400.930  1527.11    237.082  55.744  6.7802  52.826  4.1777  2.917095       7.963910  
1 1 1 -12 24  22 o 165.792 3.6049  14948.84   647.326  14188.43   1512.05  15119.48   716.286  159.644 8.7784  166.661 3.9681  -7.017410      9.633589  
1 1 1 -12 24  23 o 65.831  3.2260  2357.27    230.023  1745.79    439.463  2588.01    269.957  55.662  7.4787  68.843  3.6333  -13.18142      8.314553  
1 1 1 -12 24  24 o 82.906  3.1202  3740.94    280.182  3553.59    587.463  3796.11    318.774  79.772  6.8661  83.458  3.5265  -3.685646      7.718805  
1 1 1 -12 24  25 o 73.079  3.3574  2912.64    265.746  2924.32    546.692  2909.03    304.090  72.038  7.0989  72.850  3.8678  -0.8122482     8.084192  
1 1 1 -12 24  26 f ?       ?       -288.4117  27.554   -297.5921  27.772   287.461    219.961  ?       ?       22.968  7.5981  0.000000       7.598092  
1 1 1 -12 24  27 o 55.687  3.9931  1712.13    239.242  1429.42    493.348  1799.05    273.561  48.639  9.7050  56.954  4.4705  -8.315491      10.68514  
1 1 1 -12 24  28 o 30.270  0.8055  496.565    26.407   -326.7171  420.036  499.832    26.460   18.315  8.5562  30.369  0.8044  -12.05448      8.593975  
1 1 1 -12 24  29 o 12.947  6.0132  -158.9761  202.712  -730.1312  418.902  15.668     231.639  15.270  7.4827  16.708  7.1611  -1.438239      10.35717  
1 1 1 -12 24  30 o 42.670  1.7279  990.859    79.857   1033.07    84.231   615.727    251.087  43.562  1.7852  31.741  7.4341  11.82079       7.645472  
1 1 1 -12 24  31 o 39.937  5.4308  937.247    228.821  441.112    481.764  1081.77    260.022  27.069  10.835  42.745  5.7632  -15.67591      12.27210  
1 1 1 -12 24  32 o 20.839  9.1199  108.822    391.888  0.0000     0.0000   108.822    391.888  ?       ?       20.839  9.1199  0.000000       9.119880  
1 1 1 -12 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 25  1  o 232.738 4.2422  29352.27   1069.37  28982.63   1232.52  30477.78   2150.73  231.244 4.9210  236.948 8.3804  -5.704269      9.718377  
1 1 1 -12 25  2  o 126.438 2.9081  8660.03    398.253  8570.78    456.716  8943.21    813.560  125.779 3.3525  128.432 5.8485  -2.653175      6.741266  
1 1 1 -12 25  3  o 211.876 4.0242  24324.77   923.494  24171.33   1064.43  24791.83   1857.10  211.186 4.6535  213.720 8.0227  -2.533783      9.274630  
1 1 1 -12 25  4  o 287.663 5.1666  44857.11   1609.75  45819.82   1857.63  41954.66   3225.48  290.691 5.9001  277.755 10.722  12.93576       12.23784  
1 1 1 -12 25  5  o 249.488 4.5427  33735.30   1227.53  33358.39   1416.21  34873.83   2461.39  248.056 5.2712  253.371 8.9692  -5.315155      10.40345  
1 1 1 -12 25  6  o 397.516 6.6872  85733.38   2879.17  84000.72   3323.37  90946.60   5764.68  393.348 7.8007  408.373 13.033  -15.02469      15.18922  
1 1 1 -12 25  7  o 342.068 6.2957  63479.50   2332.53  64325.09   2502.43  57878.85   6440.25  344.297 6.7105  323.969 18.430  20.32886       19.61380  
1 1 1 -12 25  8  o 548.132 9.0559  163356.80  5376.33  159044.41  6207.29  176306.50  10756.63 540.451 10.604  566.362 17.535  -25.91132      20.49226  
1 1 1 -12 25  9  o 179.258 4.1910  17417.93   813.700  17877.06   1412.57  17189.92   995.447  181.444 7.1878  178.039 5.1622  3.404999       8.849478  
1 1 1 -12 25  10 o 162.132 4.8018  14254.07   843.221  15137.15   1195.26  13379.11   1189.75  166.982 6.6088  156.962 6.9983  10.01926       9.625594  
1 1 1 -12 25  11 o 255.438 6.5816  35430.21   1820.91  32724.21   2575.34  38135.39   2574.95  245.107 9.7009  264.706 8.9812  -19.59949      13.22002  
1 1 1 -12 25  12 o 372.524 9.0559  75566.64   3653.88  77228.16   5168.94  73907.15   5165.79  375.603 12.706  367.352 12.983  8.251587       18.16600  
1 1 1 -12 25  13 o 146.320 4.6233  11612.33   732.700  11189.53   1044.71  12021.63   1027.88  143.508 6.7213  148.772 6.3790  -5.264389      9.266438  
1 1 1 -12 25  14 o 160.192 3.3769  13909.46   585.914  14977.16   834.481  12871.31   822.855  166.161 4.6368  154.021 4.9326  12.14078       6.769788  
1 1 1 -12 25  15 o 85.721  3.0405  3982.48    282.296  4097.44    418.174  3886.23    382.642  86.796  4.4633  84.650  4.1735  2.146523       6.110577  
1 1 1 -12 25  16 o 93.770  3.0214  4765.81    306.858  4953.94    443.039  4592.34    425.422  95.562  4.2804  92.009  4.2690  3.553314       6.045337  
1 1 1 -12 25  17 o 80.972  2.9918  3554.07    262.381  3601.09    382.673  3512.36    360.448  81.346  4.3592  80.353  4.1558  0.9934235      6.022740  
1 1 1 -12 25  18 o 96.157  2.9535  5012.67    307.599  4490.12    616.097  5186.18    355.012  90.618  6.3167  97.792  3.3517  -7.174553      7.150850  
1 1 1 -12 25  19 o 68.032  2.4967  2508.82    183.969  2586.50    256.635  2426.72    263.857  69.049  3.4316  66.774  3.6623  2.274712       5.018757  
1 1 1 -12 25  20 o 51.857  3.5369  1466.51    197.467  1936.74    399.788  1314.77    227.104  59.247  6.3280  48.997  4.3238  10.25041       7.664101  
1 1 1 -12 25  21 o 94.285  2.9357  4824.76    299.792  4973.64    601.433  4775.54    345.817  95.243  5.8586  93.767  3.4051  1.475479       6.776287  
1 1 1 -12 25  22 o 52.262  3.5315  1492.07    198.730  1318.66    386.692  1554.31    231.664  48.315  7.6438  53.275  4.0450  -4.960205      8.648141  
1 1 1 -12 25  23 o 40.514  4.0415  903.864    174.978  685.654    349.326  976.951    202.169  34.359  9.2025  42.054  4.5088  -7.695133      10.24766  
1 1 1 -12 25  24 o 17.147  6.5637  113.300    170.340  126.357    393.768  110.294    188.933  23.476  9.6470  17.649  6.8704  5.827158       11.84342  
1 1 1 -12 25  25 o 35.344  1.6630  677.715    63.661   689.750    66.302   535.598    227.839  35.654  1.7169  30.384  7.0582  5.270555       7.263993  
1 1 1 -12 25  26 o 52.498  4.0623  1519.95    229.184  1763.83    476.336  1446.49    261.433  55.159  8.2246  51.026  4.7864  4.132835       9.515926  
1 1 1 -12 25  27 o 64.575  3.6332  2292.82    253.078  2306.23    521.239  2288.69    289.491  63.112  7.7907  64.362  4.1753  -1.250160      8.838984  
1 1 1 -12 25  28 o 33.039  6.1062  633.053    210.460  989.057    444.656  530.276    238.916  39.720  10.263  29.822  7.4253  9.897995       12.66714  
1 1 1 -12 25  29 f 32.299  6.5567  615.305    221.541  369.129    450.264  693.937    254.474  27.311  10.613  34.135  7.1137  -6.824390      12.77669  
1 1 1 -12 25  30 o 19.590  1.9733  211.278    41.299   206.778    41.948   353.319    235.661  19.369  2.0297  24.313  7.8543  -4.943913      8.112339  
1 1 1 -12 25  31 o 30.729  6.8568  587.636    222.423  728.155    486.843  550.568    250.044  31.624  11.272  29.256  7.7627  2.368336       13.68610  
1 1 1 -12 25  32 o 56.297  8.4688  2091.82    500.397  0.0000     0.0000   2091.82    500.397  ?       ?       56.297  8.4688  0.000000       8.468777  
1 1 1 -12 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 26  1  o 307.979 5.8130  51428.92   1939.05  52077.80   2296.40  49816.98   3619.43  309.844 6.8428  302.639 11.042  7.205109       12.99031  
1 1 1 -12 26  2  o 708.022 13.948  273375.41  10695.94 274997.50  13098.31 270129.00  18530.13 708.900 17.059  698.775 24.483  10.12531       29.84047  
1 1 1 -12 26  3  f 649.315 10.711  229286.30  7533.07  223657.59  8697.17  246191.91  15072.72 640.799 12.531  668.944 20.803  -28.14471      24.28584  
1 1 1 -12 26  4  o 198.249 3.7351  21295.77   802.016  20012.89   924.094  25211.80   1614.53  192.164 4.4399  215.568 6.9150  -23.40483      8.217654  
1 1 1 -12 26  5  o 169.350 3.4870  15538.92   639.603  15741.10   736.946  14921.69   1287.65  170.435 3.9922  165.821 7.1695  4.613678       8.206009  
1 1 1 -12 26  6  o 180.548 3.5410  17662.81   692.456  16876.29   797.787  20065.43   1394.35  176.464 4.1741  192.303 6.6945  -15.83916      7.889170  
1 1 1 -12 26  7  f 348.242 5.9366  65782.68   2239.19  62793.91   2584.31  74784.67   4485.05  340.129 7.0150  370.537 11.175  -30.40805      13.19477  
1 1 1 -12 26  8  o 403.757 6.8163  88488.85   2980.84  85598.38   3441.17  97176.69   5965.92  396.933 8.0042  421.809 13.058  -24.87567      15.31634  
1 1 1 -12 26  9  f 403.877 6.7696  88552.88   2961.28  84064.09   4187.04  93045.26   4188.72  392.974 9.8372  413.536 9.3519  -20.56201      13.57309  
1 1 1 -12 26  10 o 237.395 5.5546  30574.13   1428.23  30266.14   2266.78  30776.89   1839.22  235.872 8.8729  238.044 7.1336  -2.171783      11.38487  
1 1 1 -12 26  11 o 185.153 5.2156  18597.34   1045.94  19167.05   1481.92  18031.80   1476.48  187.814 7.2849  182.150 7.4839  5.663879       10.44409  
1 1 1 -12 26  12 o 244.396 6.3735  32436.20   1687.11  31516.98   2388.00  33352.24   2383.87  240.554 9.1654  247.500 8.8928  -6.945984      12.77049  
1 1 1 -12 26  13 o 229.982 6.0733  28721.28   1512.82  29046.37   2143.93  28398.88   2135.01  230.970 8.5701  228.372 8.6315  2.597672       12.16342  
1 1 1 -12 26  14 o 271.395 6.8401  40036.20   2010.65  42776.59   2849.36  37318.25   2837.66  280.072 9.3931  261.468 10.020  18.60352       13.73434  
1 1 1 -12 26  15 o 238.460 5.1624  30864.38   1333.32  30442.60   1636.97  31695.76   2298.22  236.683 6.3856  241.130 8.7997  -4.447266      10.87251  
1 1 1 -12 26  16 o 182.494 3.6969  18059.33   730.722  18182.78   1037.11  17937.63   1029.72  182.997 5.2325  181.759 5.2306  1.237625       7.398560  
1 1 1 -12 26  17 o 187.817 3.7923  19133.17   771.452  18346.56   1094.84  19908.83   1087.19  183.758 5.5009  191.451 5.2430  -7.692596      7.599282  
1 1 1 -12 26  18 o 149.315 3.2353  12089.96   523.221  12619.58   1049.06  11914.59   603.661  152.262 6.3612  148.194 3.7609  4.068192       7.389800  
1 1 1 -12 26  19 o 102.905 2.9805  5742.62    332.202  5701.86    665.135  5756.16    383.453  102.147 6.0388  103.003 3.4371  -0.8565979     6.948424  
1 1 1 -12 26  20 o 165.346 3.4824  14841.48   623.648  14028.43   1247.47  15112.40   720.095  160.124 7.1928  166.786 3.9862  -6.661819      8.223555  
1 1 1 -12 26  21 o 96.423  2.8005  5045.42    292.468  4983.43    517.883  5074.45    354.390  95.481  5.0255  96.654  3.3853  -1.173370      6.059336  
1 1 1 -12 26  22 o 87.305  2.7658  4138.86    261.536  3887.95    421.772  4295.61    333.366  84.290  4.6378  88.876  3.4631  -4.586433      5.788082  
1 1 1 -12 26  23 o 27.202  5.9154  422.253    169.315  603.518    318.850  351.067    199.815  32.301  8.8513  24.866  7.0791  7.435150       11.33398  
1 1 1 -12 26  24 o 102.142 3.0733  5678.35    340.000  5546.52    701.103  5718.89    388.775  99.883  6.5164  102.429 3.5043  -2.546158      7.398894  
1 1 1 -12 26  25 o 44.140  4.5420  1080.24    214.046  645.790    443.232  1212.37    244.438  33.416  10.769  46.703  4.9056  -13.28647      11.83383  
1 1 1 -12 26  26 o 46.255  4.4447  1186.66    219.935  847.189    459.034  1287.81    250.568  37.361  10.759  48.091  4.8780  -10.72936      11.81357  
1 1 1 -12 26  27 o 31.198  6.2919  564.673    205.273  1009.51    429.324  432.842    233.720  40.602  9.8608  27.122  7.6336  13.48004       12.47024  
1 1 1 -12 26  28 o 45.405  4.6217  1154.62    224.118  710.650    469.011  1286.00    255.132  33.868  11.090  47.813  5.0006  -13.94519      12.16497  
1 1 1 -12 26  29 f 12.440  2.1405  86.672     27.801   88.078     27.991   -15.9434   239.111  12.543  2.1369  16.402  7.1523  -3.858629      7.464669  
1 1 1 -12 26  30 o 18.747  7.2131  158.136    206.378  334.104    452.298  111.867    231.929  26.136  10.485  18.337  7.4541  7.798285       12.86458  
1 1 1 -12 26  31 o 30.221  6.9772  572.907    223.756  384.667    502.926  619.364    249.846  26.210  10.849  31.147  7.4965  -4.937538      13.18746  
1 1 1 -12 26  32 o 28.269  10.431  578.590    421.570  0.0000     0.0000   578.590    421.570  ?       ?       28.269  10.431  0.000000       10.43060  
1 1 1 -12 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 27  1  o 212.799 4.2819  24540.15   986.910  24567.94   1071.62  24384.94   2532.64  212.906 4.6471  211.422 11.099  1.483932       12.03236  
1 1 1 -12 27  2  o 674.814 11.409  247820.00  8338.45  257769.91  9627.51  217947.80  16681.56 687.751 12.924  627.294 24.552  60.45709       27.74646  
1 1 1 -12 27  3  o 195.532 3.9582  20717.47   838.276  20166.98   984.722  22166.43   1597.60  192.892 4.7133  202.107 7.2982  -9.215225      8.687903  
1 1 1 -12 27  4  o 353.101 6.0703  67620.54   2321.57  66000.40   2679.33  72501.14   4650.37  348.752 7.0932  364.882 11.767  -16.13007      13.73953  
1 1 1 -12 27  5  o 88.031  2.5685  4197.86    244.902  3790.24    299.066  5027.62    426.691  83.640  3.3013  96.318  4.0901  -12.67827      5.256194  
1 1 1 -12 27  6  o 215.951 4.3811  25277.01   1024.74  24933.99   1112.82  27190.17   2628.09  214.463 4.7907  223.480 10.858  -9.017471      11.86749  
1 1 1 -12 27  7  o 225.667 4.2579  27602.91   1040.72  27935.89   1200.47  26595.59   2087.98  226.993 4.8828  221.204 8.7149  5.789032       9.989584  
1 1 1 -12 27  8  f 309.182 5.8241  51858.93   1950.35  52302.92   2567.74  51253.47   2998.51  310.308 7.6399  306.999 9.0178  3.309174       11.81896  
1 1 1 -12 27  9  o 79.952  2.5968  3463.04    224.869  3678.82    362.092  3327.57    286.900  82.383  4.0580  78.362  3.3803  4.020721       5.281432  
1 1 1 -12 27  10 o 97.569  3.3337  5158.77    352.292  4994.53    610.114  5240.92    431.494  95.754  5.9117  98.327  4.0517  -2.573204      7.166896  
1 1 1 -12 27  11 o 271.241 5.5935  39923.54   1643.27  38598.79   2012.22  42575.89   2847.25  266.554 6.9698  279.592 9.4022  -13.03729      11.70382  
1 1 1 -12 27  12 o 199.934 4.4561  21677.72   964.959  22123.17   1676.56  21457.07   1180.00  201.704 7.6743  198.843 5.4790  2.860306       9.429402  
1 1 1 -12 27  13 o 313.571 7.8299  53492.88   2659.26  49629.43   3762.16  57350.60   3759.37  301.234 11.531  324.038 10.711  -22.80420      15.73839  
1 1 1 -12 27  14 o 222.086 5.9739  26787.20   1436.99  25482.70   2037.71  28077.70   2026.75  216.265 8.6993  227.080 8.2405  -10.81512      11.98263  
1 1 1 -12 27  15 o 110.940 4.3798  6676.40    526.281  6439.56    787.059  6867.93    707.783  108.627 6.7226  112.297 5.8393  -3.670547      8.904572  
1 1 1 -12 27  16 o 140.917 4.5671  10775.85   697.073  11392.32   1001.49  10196.53   970.844  144.751 6.3879  136.930 6.5461  7.821030       9.146336  
1 1 1 -12 27  17 o 184.854 3.7418  18533.81   749.170  18310.12   1060.22  18756.88   1058.75  183.589 5.3319  185.823 5.2605  -2.233932      7.490078  
1 1 1 -12 27  18 o 80.273  3.1637  3494.24    275.065  3350.00    402.171  3621.02    377.045  78.391  4.7592  81.561  4.2832  -3.169235      6.402755  
1 1 1 -12 27  19 o 256.781 4.6730  35833.13   1299.65  39180.77   2604.30  34722.95   1499.75  267.248 8.9972  252.606 5.4816  14.64175       10.53552  
1 1 1 -12 27  20 o 105.169 2.9750  6000.85    338.882  5886.08    678.704  6038.96    391.126  103.683 6.0702  105.470 3.4239  -1.787735      6.969218  
1 1 1 -12 27  21 o 33.799  4.6278  633.674    164.965  377.416    333.437  716.727    189.824  27.218  9.3559  35.916  5.0167  -8.698189      10.61602  
1 1 1 -12 27  22 o 151.465 3.3643  12475.07   551.926  12597.02   1093.48  12433.38   639.344  151.299 6.6727  151.104 3.9065  0.1950989      7.732124  
1 1 1 -12 27  23 o 99.537  2.9951  5387.39    322.892  4999.80    628.961  5526.10    376.259  95.083  6.1401  100.743 3.4483  -5.659622      7.042110  
1 1 1 -12 27  24 o 60.768  3.5653  2020.46    233.638  1717.54    490.335  2109.43    265.745  54.659  8.5637  62.020  3.9770  -7.361130      9.442111  
1 1 1 -12 27  25 o 34.636  5.5981  678.998    202.844  392.709    423.253  764.359    231.115  28.320  10.451  36.681  6.0266  -8.360531      12.06415  
1 1 1 -12 27  26 o 79.781  3.3032  3476.61    285.430  3659.59    584.594  3419.33    327.065  80.510  6.7667  79.007  3.8221  1.503860       7.771548  
1 1 1 -12 27  27 o 21.913  2.0035  263.200    47.024   254.361    48.050   463.759    228.880  21.527  2.0870  28.020  7.4232  -6.493023      7.710994  
1 1 1 -12 27  28 o 16.289  2.2467  147.212    38.583   141.163    39.144   353.504    228.607  15.928  2.3386  24.651  7.7095  -8.722455      8.056363  
1 1 1 -12 27  29 o 65.089  3.8372  2347.85    269.319  2441.44    552.396  2318.67    308.464  63.939  8.1629  64.432  4.4473  -0.4935341     9.295736  
1 1 1 -12 27  30 o 11.959  2.3622  80.913     29.512   271.085    472.734  80.169     29.570   25.398  10.517  11.900  2.3773  13.49774       10.78195  
1 1 1 -12 27  31 o 64.358  3.8996  2338.66    270.545  2048.08    585.745  2417.46    305.031  54.100  10.374  65.115  4.3501  -11.01496      11.24902  
1 1 1 -12 27  32 o 34.112  10.657  886.283    436.987  0.0000     0.0000   886.283    436.987  ?       ?       34.112  10.657  0.000000       10.65741  
1 1 1 -12 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 28  1  o 443.348 7.7666  106698.90  3729.47  109023.30  4305.09  99708.48   7465.83  447.989 8.8725  426.901 16.147  21.08798       18.42371  
1 1 1 -12 28  2  o 587.019 10.591  187442.91  6733.52  190400.70  7184.07  166055.80  19317.88 591.473 11.214  541.230 33.113  50.24304       34.96053  
1 1 1 -12 28  3  o 156.258 3.3092  13228.68   560.058  13333.30   644.265  12905.11   1133.06  156.864 3.7920  154.226 6.7830  2.637955       7.771038  
1 1 1 -12 28  4  o 534.007 9.6430  155032.80  5577.36  155881.00  5954.02  148957.80  15933.95 535.326 10.269  514.936 28.683  20.39038       30.46595  
1 1 1 -12 28  5  o 249.085 4.8306  33634.13   1303.21  33774.79   1407.97  32793.00   3443.04  249.584 5.2084  244.823 13.031  4.760818       14.03355  
1 1 1 -12 28  6  o 351.452 6.6019  67027.80   2513.08  65441.41   2694.18  77651.38   6972.02  347.205 7.1643  376.099 17.115  -28.89362      18.55432  
1 1 1 -12 28  7  o 470.750 7.0140  120304.10  3576.23  117195.00  4616.53  124969.50  5655.20  464.223 9.1816  478.965 10.901  -14.74173      14.25263  
1 1 1 -12 28  8  o 270.916 4.7889  39795.30   1405.21  41295.70   1987.03  38294.18   1987.50  275.821 6.6513  265.584 6.9093  10.23730       9.590544  
1 1 1 -12 28  9  o 186.815 3.6818  18914.51   744.985  18451.37   1052.04  19380.34   1055.10  184.441 5.2663  189.033 5.1533  -4.592209      7.368211  
1 1 1 -12 28  10 o 294.470 5.9457  47060.78   1896.34  46427.13   3285.20  47377.43   2322.31  291.835 10.393  295.303 7.2608  -3.467590      12.67831  
1 1 1 -12 28  11 o 199.303 4.5124  21540.17   974.077  19514.14   1193.76  25576.70   1684.99  189.615 5.8127  216.955 7.1707  -27.33978      9.230672  
1 1 1 -12 28  12 o 264.252 5.1593  37887.40   1476.65  37863.00   1952.15  37920.04   2257.59  263.981 6.8277  264.033 7.8943  -0.5252075E-01 10.43731  
1 1 1 -12 28  13 f 133.674 3.6045  9686.36    521.864  10315.69   914.601  9382.55    635.463  137.820 6.1270  131.527 4.4607  6.293732       7.578801  
1 1 1 -12 28  14 o 132.450 4.4886  9516.00    643.923  8650.29    922.205  10339.62   899.509  125.968 6.7842  137.973 6.0192  -12.00430      9.069560  
1 1 1 -12 28  15 o 178.169 5.1733  17231.90   998.310  16631.93   1421.94  17815.09   1401.92  174.810 7.5101  180.963 7.1526  -6.152908      10.37115  
1 1 1 -12 28  16 o 191.491 5.4304  19916.49   1126.30  18992.06   1603.30  20817.13   1582.55  186.684 7.9294  195.516 7.4732  -8.832306      10.89601  
1 1 1 -12 28  17 o 154.512 4.9227  12964.04   823.824  12433.32   1193.40  13447.18   1138.65  151.071 7.2935  157.184 6.6882  -6.112915      9.895828  
1 1 1 -12 28  18 o 57.384  4.3895  1798.29    270.751  1733.21    356.893  1886.53    415.571  56.127  5.9621  58.473  6.6817  -2.346054      8.955009  
1 1 1 -12 28  19 o 187.043 3.6668  18988.82   742.849  21461.46   1502.59  18188.99   854.589  198.263 6.9973  182.983 4.3120  15.27983       8.219180  
1 1 1 -12 28  20 o 105.073 3.0365  5990.99    345.574  6488.26    716.900  5840.47    394.424  108.847 6.1056  103.710 3.5114  5.137192       7.043312  
1 1 1 -12 28  21 o 112.042 3.0188  6816.09    366.342  7651.38    719.902  6524.20    425.565  118.330 5.6171  109.558 3.5863  8.771835       6.664312  
1 1 1 -12 28  22 o 140.428 3.3007  10723.41   502.039  10166.31   1086.41  10874.68   566.109  135.415 7.4357  141.341 3.6979  -5.926590      8.304471  
1 1 1 -12 28  23 o 71.059  2.5760  2743.01    198.259  2774.14    277.870  2710.74    282.960  71.265  3.6117  70.425  3.7228  0.8400574      5.186902  
1 1 1 -12 28  24 o 51.438  2.1879  1436.73    121.893  1487.61    142.809  1300.20    233.944  52.318  2.5202  48.524  4.5026  3.794914       5.159946  
1 1 1 -12 28  25 o 47.586  2.0640  1229.83    106.381  1276.68    118.111  1028.46    244.858  48.471  2.2498  42.841  5.3968  5.629864       5.846936  
1 1 1 -12 28  26 o 120.897 3.2146  7981.73    420.934  8901.94    850.862  7683.54    484.359  126.243 6.2227  118.431 3.7760  7.812408       7.278789  
1 1 1 -12 28  27 o 34.074  5.8469  666.424    208.018  749.679    435.554  641.822    236.766  34.923  10.592  33.123  6.8266  1.800091       12.60150  
1 1 1 -12 28  28 o 17.206  6.9313  90.693     198.559  438.300    431.104  -2.9021    223.699  28.453  10.538  16.165  6.9838  12.28765       12.64213  
1 1 1 -12 28  29 o 38.333  5.7584  848.067    231.689  959.129    494.397  816.813    262.271  38.185  11.215  37.193  6.7596  0.9921036      13.09495  
1 1 1 -12 28  30 o 17.967  7.1544  125.155    208.986  -366.2626  472.704  244.542    232.993  18.686  8.8371  21.290  7.7698  -2.604216      11.76706  
1 1 1 -12 28  31 o 21.490  8.0923  260.009    256.296  650.144    488.873  112.141    300.972  29.954  11.196  19.422  8.2385  10.53158       13.90087  
1 1 1 -12 28  32 o 21.579  9.3439  163.818    402.286  0.0000     0.0000   163.818    402.286  ?       ?       21.579  9.3439  0.000000       9.343941  
1 1 1 -12 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 29  1  o 344.186 6.1905  64256.14   2307.77  62768.40   2734.98  67934.08   4300.24  340.060 7.4255  353.258 11.239  -13.19809      13.47052  
1 1 1 -12 29  2  o 240.280 4.5763  31293.33   1190.97  32096.76   1373.37  28856.88   2391.61  243.313 5.2114  230.397 9.5839  12.91597       10.90916  
1 1 1 -12 29  3  o 425.721 7.8607  98407.05   3624.58  101540.50  4303.99  90765.09   6721.49  432.238 9.1934  407.393 15.233  24.84460       17.79213  
1 1 1 -12 29  4  o 721.706 13.075  284189.50  10220.63 289175.81  10894.65 247591.30  29515.98 727.691 13.823  650.237 42.137  77.45410       44.34592  
1 1 1 -12 29  5  o 254.611 5.3441  35152.99   1473.75  34324.37   1613.40  39327.46   3621.32  251.554 5.9216  268.526 12.451  -16.97194      13.78757  
1 1 1 -12 29  6  o 113.571 2.8367  6987.91    348.944  6583.11    400.369  8267.04    711.703  110.224 3.3536  123.469 5.3220  -13.24458      6.290464  
1 1 1 -12 29  7  o 184.151 3.7110  18377.75   740.173  17917.93   1045.52  18839.78   1048.02  181.766 5.3107  186.389 5.1913  -4.623062      7.426502  
1 1 1 -12 29  8  o 206.356 3.8695  23079.51   864.857  22843.38   1221.29  23317.04   1224.90  205.214 5.4947  207.333 5.4546  -2.119110      7.742371  
1 1 1 -12 29  9  o 274.627 4.9162  40900.68   1462.31  40070.29   2066.94  41732.79   2069.09  271.627 7.0256  277.220 6.8910  -5.592529      9.841021  
1 1 1 -12 29  10 o 340.225 6.8015  62868.46   2506.36  64714.55   4344.31  61947.42   3068.54  344.221 11.652  337.468 8.3952  6.752960       14.36162  
1 1 1 -12 29  11 o 191.862 4.3582  19960.41   905.665  19883.67   1108.70  20114.30   1570.11  191.431 5.3472  192.357 7.5362  -0.9260559     9.240489  
1 1 1 -12 29  12 o 264.052 4.7621  37820.30   1361.95  38342.09   1926.97  37299.45   1925.20  265.656 6.6971  262.009 6.7841  3.647888       9.532811  
1 1 1 -12 29  13 f 178.740 3.6097  17318.87   698.814  17849.16   990.839  16794.04   985.725  181.370 5.0439  175.919 5.1734  5.451248       7.225294  
1 1 1 -12 29  14 o 32.276  1.3487  564.236    47.150   385.395    240.365  571.393    48.084   26.435  7.8354  32.480  1.3668  -6.045019      7.953728  
1 1 1 -12 29  15 o 149.457 4.7544  12121.63   769.635  10995.75   1100.69  13198.73   1076.57  141.982 7.1808  155.829 6.3786  -13.84653      9.604700  
1 1 1 -12 29  16 o 75.971  4.3462  3141.84    356.134  3076.64    539.165  3192.31    474.339  74.903  6.7173  76.431  5.7725  -1.527885      8.856847  
1 1 1 -12 29  17 o 109.803 4.4223  6544.00    525.930  6921.35    794.368  6249.51    701.765  112.586 6.5425  107.026 6.0789  5.560303       8.930700  
1 1 1 -12 29  18 o 20.656  7.9285  156.070    248.961  416.436    398.353  -10.8106   318.918  29.191  10.215  19.689  8.4195  9.502001       13.23774  
1 1 1 -12 29  19 o 41.773  5.9258  969.380    260.593  0.0000     0.0000   969.380    260.593  ?       ?       41.773  5.9258  0.000000       5.925764  
1 1 1 -12 29  20 o 97.199  3.0167  5127.09    317.587  5761.34    662.682  4937.98    361.848  102.551 5.9922  95.355  3.5036  7.196060       6.941297  
1 1 1 -12 29  21 o 126.319 3.1421  8666.87    429.894  8830.30    877.481  8615.25    493.128  126.757 6.4122  125.882 3.6168  0.8752289      7.361938  
1 1 1 -12 29  22 o 81.045  3.1866  3571.22    279.720  2820.48    561.202  3819.37    322.655  71.052  7.4011  83.773  3.5560  -12.72157      8.211057  
1 1 1 -12 29  23 o 20.497  6.9079  218.649    181.685  153.496    372.644  238.966    208.094  23.458  9.4795  21.575  7.3923  1.882971       12.02107  
1 1 1 -12 29  24 o 77.610  3.1758  3280.72    266.958  3504.04    558.746  3214.66    303.886  79.214  6.5717  76.753  3.6555  2.461319       7.520009  
1 1 1 -12 29  25 o 94.483  2.9743  4863.91    304.379  5205.31    658.119  4771.01    343.303  96.529  6.3298  93.492  3.3903  3.036850       7.180508  
1 1 1 -12 29  26 o 41.803  4.8373  976.721    214.972  756.079    448.994  1042.34    244.862  35.367  10.761  43.053  5.3676  -7.685833      12.02501  
1 1 1 -12 29  27 o 22.296  7.2264  278.290    199.365  392.686    436.022  248.053    224.170  27.985  10.551  21.793  7.6610  6.191545       13.03930  
1 1 1 -12 29  28 f 62.293  2.6709  2119.52    180.202  2311.87    548.847  2096.28    190.779  62.372  8.3328  61.915  2.8449  0.4566879      8.805028  
1 1 1 -12 29  29 o 64.051  3.7933  2274.91    261.982  1846.65    563.343  2393.08    295.929  54.119  9.9783  65.532  4.1913  -11.41275      10.82278  
1 1 1 -12 29  30 o 47.943  4.6488  1308.27    238.363  1022.56    520.629  1384.04    268.113  37.858  11.601  49.076  5.1194  -11.21839      12.68020  
1 1 1 -12 29  31 o 16.498  7.2450  7.4966     249.234  612.898    477.847  -218.7454  292.115  29.270  11.043  14.923  7.0234  14.34694       13.08766  
1 1 1 -12 29  32 o 18.882  8.6354  -54.7810   395.627  0.0000     0.0000   -54.7810   395.627  ?       ?       18.882  8.6354  0.000000       8.635427  
1 1 1 -12 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 30  1  o 212.875 4.2771  24560.37   986.160  24786.07   1070.83  23300.05   2530.42  213.837 4.6235  206.539 11.355  7.297440       12.26026  
1 1 1 -12 30  2  o 501.854 8.4837  136822.00  4611.38  138239.09  5323.43  132562.20  9229.65  504.194 9.7482  491.544 17.336  12.64978       19.88894  
1 1 1 -12 30  3  o 732.735 15.944  294045.41  12653.85 284295.41  13885.49 341806.69  30732.44 719.484 17.818  771.602 36.773  -52.11792      40.86290  
1 1 1 -12 30  4  o 506.952 10.058  139824.80  5522.45  141905.41  5983.45  127862.30  14347.35 510.524 10.821  476.735 27.908  33.78900       29.93200  
1 1 1 -12 30  5  o 152.147 3.3621  12543.00   554.046  12649.35   614.901  12084.10   1277.34  152.781 3.7159  148.943 7.9467  3.838043       8.772567  
1 1 1 -12 30  6  o 254.016 4.1840  34973.83   1151.12  35411.06   1486.30  34318.47   1819.68  255.527 5.3703  251.455 6.6813  4.072021       8.572094  
1 1 1 -12 30  7  o 395.041 6.6142  84706.96   2830.00  82483.41   4001.34  86932.48   4003.12  389.352 9.4884  399.762 9.2454  -10.41013      13.24794  
1 1 1 -12 30  8  o 233.065 4.3672  29447.77   1102.43  28879.88   1558.09  30017.09   1560.05  230.680 6.2361  235.187 6.1243  -4.506943      8.740451  
1 1 1 -12 30  9  o 280.408 4.8926  42642.45   1485.94  41613.97   2100.05  43673.65   2102.83  276.799 7.0048  283.585 6.8462  -6.785919      9.794793  
1 1 1 -12 30  10 o 168.005 4.4427  15304.97   808.423  13808.88   1312.08  16220.46   1026.39  159.389 7.6004  172.900 5.4808  -13.51111      9.370441  
1 1 1 -12 30  11 o 180.807 4.1855  17725.17   819.660  17445.42   1002.29  18289.99   1424.20  179.318 5.1606  183.452 7.1677  -4.133850      8.832168  
1 1 1 -12 30  12 o 220.297 4.1408  26314.87   988.009  26066.36   1398.43  26562.54   1396.08  219.114 5.8925  221.196 5.8273  -2.081741      8.287256  
1 1 1 -12 30  13 o 178.474 3.6181  17267.58   699.398  17619.86   992.170  16919.63   986.053  180.195 5.0836  176.573 5.1559  3.621964       7.240611  
1 1 1 -12 30  14 o 207.892 3.9838  23436.39   897.033  24028.80   1271.80  22849.91   1265.42  210.369 5.5817  205.133 5.6955  5.236359       7.974555  
1 1 1 -12 30  15 o 78.011  2.6632  3297.89    225.021  3192.48    286.107  3468.83    364.348  76.737  3.4423  79.856  4.2276  -3.118721      5.451777  
1 1 1 -12 30  16 o 167.010 4.0446  15131.13   731.629  14019.46   1280.67  15669.72   891.412  160.440 7.3698  169.893 4.8443  -9.453629      8.819375  
1 1 1 -12 30  17 o 113.087 4.3672  6941.56    534.916  6557.42    781.959  7279.43    733.350  109.554 6.6211  115.551 5.8790  -5.997505      8.854466  
1 1 1 -12 30  18 o 247.333 6.4762  33329.35   1734.89  33391.68   2461.19  33267.79   2445.88  246.808 9.2070  246.363 9.1662  0.4451752      12.99184  
1 1 1 -12 30  19 o 127.198 4.4273  8793.19    609.942  0.0000     0.0000   8793.19    609.942  ?       ?       127.198 4.4273  0.000000       4.427299  
1 1 1 -12 30  20 o 129.517 4.3761  9125.98    613.881  0.0000     0.0000   9125.98    613.881  ?       ?       129.517 4.3761  0.000000       4.376114  
1 1 1 -12 30  21 o 48.034  5.1596  1274.06    264.223  0.0000     0.0000   1274.06    264.223  ?       ?       48.034  5.1596  0.000000       5.159562  
1 1 1 -12 30  22 o 60.234  3.5653  1981.69    231.559  1956.83    468.993  1989.70    266.279  59.003  7.5089  60.273  4.1033  -1.269634      8.556900  
1 1 1 -12 30  23 f 57.682  2.5232  1807.43    157.635  1669.99    197.261  2050.28    262.211  55.286  3.3095  61.167  3.9795  -5.881199      5.175830  
1 1 1 -12 30  24 o 95.074  2.7073  4916.20    278.788  5214.16    503.572  4784.51    334.772  97.474  4.7698  93.695  3.2989  3.779243       5.799465  
1 1 1 -12 30  25 o 41.866  4.7799  976.228    212.858  860.206    462.895  1007.34    239.705  37.778  10.782  42.395  5.3387  -4.617050      12.03102  
1 1 1 -12 30  26 o 17.963  7.0436  115.609    199.689  320.076    413.422  53.390     228.057  26.630  10.218  17.500  7.2801  9.130348       12.54624  
1 1 1 -12 30  27 o 13.134  6.2155  -255.7810  234.587  88.845     421.782  -410.1333  282.274  23.013  9.7567  13.423  6.4759  9.589968       11.71034  
1 1 1 -12 30  28 o 33.785  6.3358  666.433    223.327  374.035    473.923  749.896    253.202  27.839  10.869  35.715  6.7939  -7.875877      12.81759  
1 1 1 -12 30  29 o 35.466  5.9747  733.309    221.347  1177.92    484.012  615.734    248.899  42.529  10.557  31.907  7.3533  10.62231       12.86534  
1 1 1 -12 30  30 o 16.780  6.9705  73.516     208.634  -103.3857  467.741  117.453    233.108  20.702  9.4373  18.331  7.4647  2.371420       12.03260  
1 1 1 -12 30  31 o 24.203  8.2292  373.773    257.862  279.547    491.958  409.466    302.788  24.539  10.474  25.161  8.8976  -0.6218777     13.74333  
1 1 1 -12 30  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 31  1  f 293.272 4.7906  46626.57   1521.69  44459.45   1754.67  53200.57   3056.11  286.316 5.6582  312.851 9.0191  -26.53421      10.64701  
1 1 1 -12 31  2  o 67.292  2.8227  2453.18    205.734  2666.69    231.298  1644.28    450.201  70.158  3.0439  54.469  7.8584  15.68856       8.427332  
1 1 1 -12 31  3  o 240.498 4.7448  31355.80   1235.96  31035.45   1336.23  33253.20   3251.96  239.244 5.1567  246.951 12.158  -7.707092      13.20642  
1 1 1 -12 31  4  o 182.585 3.7169  18065.70   735.037  18667.73   847.094  16231.01   1478.77  185.585 4.2142  172.865 7.8981  12.71931       8.952096  
1 1 1 -12 31  5  o 56.220  2.0521  1712.02    124.957  1598.47    187.567  1802.63    167.554  54.220  3.2082  57.684  2.6818  -3.463730      4.181457  
1 1 1 -12 31  6  o 293.441 5.5890  46706.52   1776.35  46916.91   2726.27  46551.30   2341.65  293.784 8.5678  292.779 7.3843  1.005646       11.31090  
1 1 1 -12 31  7  o 208.291 3.7740  23513.29   851.424  22416.66   1202.78  24614.74   1205.42  203.290 5.4626  213.039 5.2241  -9.748428      7.558488  
1 1 1 -12 31  8  o 138.919 3.1294  10456.95   470.857  10535.22   665.169  10378.34   666.617  139.400 4.4056  138.356 4.4484  1.043320       6.260787  
1 1 1 -12 31  9  f 493.060 8.1354  132192.20  4344.57  126553.10  6143.17  137834.91  6145.14  481.358 11.783  502.530 11.290  -21.17212      16.31887  
1 1 1 -12 31  10 o 383.464 7.5282  79926.68   3126.71  77551.70   5416.20  81113.79   3829.21  376.261 13.290  385.960 9.1600  -9.699127      16.14118  
1 1 1 -12 31  11 o 271.194 6.1734  39934.71   1813.31  39975.58   2022.34  39767.09   4095.38  271.245 6.8837  268.767 14.118  2.477631       15.70673  
1 1 1 -12 31  12 o 209.145 3.9778  23716.11   901.075  23282.66   1277.74  24144.95   1270.92  207.098 5.6963  210.910 5.5635  -3.811783      7.962485  
1 1 1 -12 31  13 o 283.717 5.0568  43680.89   1553.93  43196.07   2200.04  44163.57   2195.14  281.845 7.2069  284.999 7.1113  -3.154266      10.12474  
1 1 1 -12 31  14 o 84.988  2.9599  3914.50    272.458  4071.63    395.262  3772.24    376.082  86.643  4.2119  83.399  4.1635  3.244888       5.922377  
1 1 1 -12 31  15 o 110.597 3.0349  6629.96    363.543  6735.35    523.184  6531.56    505.525  111.422 4.3352  109.727 4.2536  1.694908       6.073506  
1 1 1 -12 31  16 o 128.314 3.2139  8926.15    446.658  8641.52    647.556  9184.46    616.899  126.170 4.7386  130.096 4.3780  -3.925941      6.451491  
1 1 1 -12 31  17 o 262.818 4.7657  37512.79   1356.60  37775.40   1922.26  37252.21   1914.80  263.365 6.7388  261.530 6.7598  1.834717       9.544955  
1 1 1 -12 31  18 o 136.335 3.7484  10087.22   553.513  9919.32    976.782  10166.64   671.784  134.885 6.6859  136.804 4.5338  -1.918274      8.078179  
1 1 1 -12 31  19 o 241.408 9.0433  32054.12   2364.55  0.0000     0.0000   32054.12   2364.55  ?       ?       241.408 9.0433  0.000000       9.043292  
1 1 1 -12 31  20 o 127.327 4.4076  8822.52    607.846  0.0000     0.0000   8822.52    607.846  ?       ?       127.327 4.4076  0.000000       4.407587  
1 1 1 -12 31  21 o 68.730  4.5914  2587.12    339.827  0.0000     0.0000   2587.12    339.827  ?       ?       68.730  4.5914  0.000000       4.591448  
1 1 1 -12 31  22 o 43.391  6.5630  1059.81    298.807  0.0000     0.0000   1059.81    298.807  ?       ?       43.391  6.5630  0.000000       6.563042  
1 1 1 -12 31  23 o 57.758  5.3461  1847.19    330.649  0.0000     0.0000   1847.19    330.649  ?       ?       57.758  5.3461  0.000000       5.346120  
1 1 1 -12 31  24 o 20.719  7.0418  223.725    188.815  478.447    438.327  165.692    209.221  30.200  10.703  19.572  7.3229  10.62787       12.96807  
1 1 1 -12 31  25 o 15.536  6.6336  4.4533     197.436  -290.0877  452.203  73.825     219.458  19.807  9.1221  17.698  7.2290  2.109087       11.63923  
1 1 1 -12 31  26 o 28.454  2.2047  442.908    67.415   419.677    70.226   715.837    240.705  27.671  2.3659  35.197  6.5552  -7.526114      6.969103  
1 1 1 -12 31  27 o 33.418  1.8895  608.942    68.111   608.003    70.875   620.286    246.283  33.382  1.9690  32.404  7.2039  0.9783707      7.468113  
1 1 1 -12 31  28 o 41.761  2.1200  952.079    95.577   948.900    103.375  970.801    250.850  41.661  2.2998  41.149  5.7885  0.5128822      6.228635  
1 1 1 -12 31  29 o 57.576  2.4803  1812.02    154.677  1836.29    185.752  1757.16    279.341  57.769  2.9789  55.875  4.6583  1.894070       5.529297  
1 1 1 -12 31  30 o 33.953  6.3255  694.012    224.063  954.154    496.741  627.563    251.054  36.421  11.360  31.680  7.4430  4.740944       13.58119  
1 1 1 -12 31  31 o 25.229  8.2596  413.915    260.181  719.312    492.808  295.893    306.357  30.982  11.301  22.757  8.7793  8.225163       14.31045  
1 1 1 -12 31  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 32  1  o 255.587 4.9856  35418.42   1380.15  36398.04   1591.66  32449.84   2770.76  259.053 5.6727  244.152 10.478  14.90083       11.91484  
1 1 1 -12 32  2  o 127.056 3.0805  8746.39    423.924  8666.12    477.118  9047.38    923.869  126.464 3.4833  128.948 6.6374  -2.484337      7.495917  
1 1 1 -12 32  3  o 336.364 5.9105  61374.77   2153.28  61879.84   2484.93  59852.36   4314.25  337.654 6.7947  331.293 12.023  6.360657       13.81039  
1 1 1 -12 32  4  o 543.010 10.422  160537.91  6129.57  159649.41  7504.56  162318.50  10624.09 540.769 12.813  543.123 18.060  -2.353149      22.14362  
1 1 1 -12 32  5  o 385.623 7.0814  80736.66   2957.69  81295.09   3167.02  76926.54   8272.55  386.886 7.5578  372.372 20.591  14.51370       21.93444  
1 1 1 -12 32  6  o 210.239 4.0187  23957.16   915.096  23606.24   1293.19  24309.12   1295.09  208.602 5.7237  211.689 5.6485  -3.087524      8.041509  
1 1 1 -12 32  7  o 133.915 3.1414  9717.04    455.645  10087.34   629.379  9309.21    660.507  136.411 4.2598  131.032 4.6540  5.379639       6.309218  
1 1 1 -12 32  8  o 201.094 3.8852  21919.33   846.218  22024.89   1194.57  21813.00   1198.91  201.490 5.4738  200.515 5.5204  0.9745789      7.774128  
1 1 1 -12 32  9  o 267.911 5.1317  38935.00   1489.09  38996.43   1968.76  38852.88   2276.36  267.957 6.7836  267.330 7.8618  0.6261292      10.38386  
1 1 1 -12 32  10 o 96.824  3.3230  5080.69    348.487  4711.05    605.680  5263.61    426.076  92.960  6.0485  98.535  3.9923  -5.574669      7.247254  
1 1 1 -12 32  11 o 86.601  3.4128  4064.83    320.113  3611.12    393.036  4958.85    551.716  81.478  4.4708  95.444  5.3587  -13.96556      6.978762  
1 1 1 -12 32  12 o 131.335 3.1189  9347.99    443.666  9342.72    629.252  9353.20    625.641  131.249 4.4265  131.324 4.3986  -0.7482910E-01 6.240278  
1 1 1 -12 32  13 o 134.107 3.1540  9747.38    458.122  9535.95    651.591  9954.07    644.235  132.587 4.5374  135.470 4.3907  -2.882721      6.313916  
1 1 1 -12 32  14 o 250.632 4.6224  34081.78   1254.79  34986.02   1776.77  33182.04   1772.33  253.709 6.4658  247.059 6.6233  6.649704       9.256080  
1 1 1 -12 32  15 o 195.511 3.8515  20730.66   815.594  20884.72   1157.46  20578.73   1149.43  196.094 5.4497  194.652 5.4520  1.442108       7.708643  
1 1 1 -12 32  16 o 231.781 4.3185  29152.48   1084.13  29973.10   1537.42  28340.85   1528.99  234.792 6.0456  228.289 6.1837  6.503448       8.647981  
1 1 1 -12 32  17 o 171.616 3.5481  15975.67   659.512  17460.71   940.412  14538.43   925.156  179.289 4.8428  163.559 5.2224  15.72995       7.122203  
1 1 1 -12 32  18 o 127.422 3.1823  8806.82    439.198  8610.71    632.250  8989.70    610.558  125.882 4.6372  128.646 4.3819  -2.763710      6.379985  
1 1 1 -12 32  19 o 101.400 3.0983  5579.06    340.283  5764.79    494.100  5411.48    469.321  102.970 4.4303  99.773  4.3430  3.197563       6.203944  
1 1 1 -12 32  20 o 87.474  4.1753  4162.68    395.580  0.0000     0.0000   4162.68    395.580  ?       ?       87.474  4.1753  0.000000       4.175266  
1 1 1 -12 32  21 o 101.105 4.2663  5570.29    467.194  0.0000     0.0000   5570.29    467.194  ?       ?       101.105 4.2663  0.000000       4.266315  
1 1 1 -12 32  22 o 30.680  8.1990  542.613    277.664  0.0000     0.0000   542.613    277.664  ?       ?       30.680  8.1990  0.000000       8.199043  
1 1 1 -12 32  23 o 52.919  5.6762  1558.13    320.259  0.0000     0.0000   1558.13    320.259  ?       ?       52.919  5.6762  0.000000       5.676156  
1 1 1 -12 32  24 o 71.666  4.7994  2833.47    370.382  0.0000     0.0000   2833.47    370.382  ?       ?       71.666  4.7994  0.000000       4.799364  
1 1 1 -12 32  25 o 13.944  6.5528  -252.3232  252.624  0.0000     0.0000   -252.3232  252.624  ?       ?       13.944  6.5528  0.000000       6.552786  
1 1 1 -12 32  26 o 49.001  4.4532  1333.33    233.764  1942.78    515.638  1175.68    262.263  57.577  8.5263  45.716  5.4010  11.86059       10.09298  
1 1 1 -12 32  27 f 53.885  4.2402  1611.69    245.473  1496.43    538.591  1641.91    275.782  49.077  10.453  54.227  4.7432  -5.150284      11.47846  
1 1 1 -12 32  28 o 103.244 3.3019  5850.62    369.226  5964.12    770.458  5816.78    420.680  101.665 7.0403  102.732 3.7807  -1.066742      7.991197  
1 1 1 -12 32  29 o 4.0772  2.0135  -71.9541   32.319   -74.9467   32.652   72.909     227.176  4.0558  2.0067  17.520  7.2753  -13.46407      7.547032  
1 1 1 -12 32  30 o 34.126  1.3944  633.429    51.541   649.383    52.752   297.795    241.961  34.552  1.4096  22.516  7.9547  12.03553       8.078638  
1 1 1 -12 32  31 o 17.892  2.1454  177.955    40.747   176.180    40.922   384.049    440.937  17.797  2.1678  25.426  10.299  -7.629519      10.52437  
1 1 1 -12 32  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 33  1  o 367.151 6.8636  73169.95   2729.38  74484.18   3237.24  69939.02   5075.79  370.270 8.0721  357.865 13.095  12.40466       15.38323  
1 1 1 -12 33  2  o 329.041 5.7115  58726.84   2035.48  59124.31   2348.61  57527.24   4080.18  330.067 6.5696  324.852 11.596  5.215668       13.32802  
1 1 1 -12 33  3  o 276.402 4.8928  41422.89   1464.78  40890.61   1689.60  43033.33   2938.90  274.564 5.6816  281.241 9.6480  -6.677368      11.19660  
1 1 1 -12 33  4  o 297.747 5.1996  48076.20   1676.81  48161.07   1934.84  47820.10   3360.83  297.942 5.9957  296.333 10.471  1.609375       12.06627  
1 1 1 -12 33  5  o 264.841 4.4872  38025.05   1287.15  37360.74   1574.96  39361.12   2233.57  262.445 5.5407  269.183 7.6609  -6.737518      9.454569  
1 1 1 -12 33  6  o 130.501 3.0902  9227.70    436.788  9378.42    616.263  9075.56    619.169  131.530 4.3259  129.386 4.4183  2.144058       6.183373  
1 1 1 -12 33  7  o 191.686 3.9977  19916.64   829.976  18948.58   1110.43  21142.08   1249.35  186.893 5.4856  197.392 5.8436  -10.49838      8.014984  
1 1 1 -12 33  8  o 144.021 3.2642  11240.25   509.179  11170.23   696.723  11320.50   745.973  143.531 4.4817  144.481 4.7670  -0.9506073     6.542911  
1 1 1 -12 33  9  o 130.743 3.0326  9262.64    429.444  9568.75    607.255  8956.38    607.396  132.849 4.2203  128.523 4.3634  4.326355       6.070390  
1 1 1 -12 33  10 o 52.856  3.8578  1522.54    219.324  1899.73    371.923  1321.43    271.568  58.864  5.9136  49.080  5.1872  9.783787       7.866250  
1 1 1 -12 33  11 o 176.774 4.1430  16943.92   793.243  16482.24   969.840  17876.94   1378.73  174.291 5.1375  181.366 7.0186  -7.075211      8.698005  
1 1 1 -12 33  12 o 206.133 3.9653  23038.82   885.304  22565.20   1251.98  23512.49   1252.03  203.876 5.6697  208.121 5.5543  -4.245697      7.937011  
1 1 1 -12 33  13 o 114.636 3.0389  7122.09    377.321  6775.56    533.318  7469.39    533.907  111.766 4.4056  117.357 4.2003  -5.591492      6.087059  
1 1 1 -12 33  14 o 176.343 3.6310  16860.53   693.515  15559.05   983.453  18147.95   978.126  169.283 5.3638  182.860 4.9386  -13.57780      7.291096  
1 1 1 -12 33  15 o 140.796 3.2615  10747.06   497.365  10056.29   709.288  11415.29   697.619  136.110 4.8113  145.041 4.4408  -8.930664      6.547431  
1 1 1 -12 33  16 o 227.814 4.3094  28164.65   1063.33  26713.96   1507.13  29602.49   1500.44  221.610 6.2790  233.339 5.9369  -11.72821      8.641338  
1 1 1 -12 33  17 o 78.320  2.6772  3325.05    227.101  3173.41    292.652  3554.61    360.067  76.486  3.5326  80.820  4.1271  -4.334274      5.432534  
1 1 1 -12 33  18 o 243.644 4.4826  32254.56   1182.92  33876.08   1677.76  30651.67   1668.09  249.313 6.2132  237.081 6.4961  12.23177       8.989040  
1 1 1 -12 33  19 o 311.339 5.5165  52834.91   1860.23  52602.09   2633.83  53066.64   2627.70  309.627 7.8538  311.018 7.8004  -1.391602      11.06928  
1 1 1 -12 33  20 o 128.348 3.1360  8945.23    435.952  9421.68    886.396  8793.21    500.694  131.198 6.2378  127.193 3.6344  4.004593       7.219367  
1 1 1 -12 33  21 o 86.307  2.7984  4045.30    261.597  4160.58    417.805  3970.96    335.499  87.233  4.4367  85.429  3.6259  1.803909       5.729843  
1 1 1 -12 33  22 o 111.860 4.4579  6835.83    540.104  0.0000     0.0000   6835.83    540.104  ?       ?       111.860 4.4579  0.000000       4.457924  
1 1 1 -12 33  23 o 93.320  4.4812  4765.78    452.942  0.0000     0.0000   4765.78    452.942  ?       ?       93.320  4.4812  0.000000       4.481232  
1 1 1 -12 33  24 o 36.882  7.5142  788.454    289.976  0.0000     0.0000   788.454    289.976  ?       ?       36.882  7.5142  0.000000       7.514155  
1 1 1 -12 33  25 o 32.987  8.0795  641.126    286.379  0.0000     0.0000   641.126    286.379  ?       ?       32.987  8.0795  0.000000       8.079492  
1 1 1 -12 33  26 o 42.376  6.8098  1035.41    301.972  0.0000     0.0000   1035.41    301.972  ?       ?       42.376  6.8098  0.000000       6.809824  
1 1 1 -12 33  27 o 60.114  5.3408  2032.04    344.120  0.0000     0.0000   2032.04    344.120  ?       ?       60.114  5.3408  0.000000       5.340837  
1 1 1 -12 33  28 o 71.438  2.7601  2790.23    213.561  2896.24    610.050  2775.43    227.987  69.869  8.2185  71.199  2.9564  -1.329620      8.734070  
1 1 1 -12 33  29 o 13.484  1.8380  100.802    26.144   -147.8360  493.902  101.500    26.181   21.245  9.6899  13.532  1.8335  7.713311       9.861797  
1 1 1 -12 33  30 f 44.836  5.1701  1168.06    246.469  1374.22    553.759  1117.14    275.234  43.229  11.590  43.326  6.0285  -0.9693146E-01 13.06400  
1 1 1 -12 33  31 o 18.091  2.3885  182.979    45.657   180.175    45.866   488.340    478.692  17.942  2.4221  27.176  10.826  -9.234264      11.09351  
1 1 1 -12 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 34  1  o 230.863 4.4100  28891.78   1102.72  28892.71   1270.83  28888.93   2218.45  230.829 5.0831  230.505 8.8859  0.3239594      10.23700  
1 1 1 -12 34  2  o 109.374 2.6929  6480.79    319.013  6435.97    362.484  6634.74    671.842  108.989 3.0707  110.454 5.6346  -1.464546      6.416999  
1 1 1 -12 34  3  o 74.851  2.7319  3035.28    221.481  3281.05    251.773  2194.32    465.732  77.819  2.9871  63.203  6.9163  14.61649       7.533823  
1 1 1 -12 34  4  o 137.016 3.0858  10171.77   457.942  10099.05   526.231  10398.67   929.555  136.514 3.5590  138.431 6.1997  -1.916931      7.148654  
1 1 1 -12 34  5  o 131.635 3.0058  9388.52    428.554  8816.67    603.434  9970.46    608.733  127.529 4.3687  135.624 4.1440  -8.095055      6.021473  
1 1 1 -12 34  6  o 328.407 5.5302  58507.38   1967.10  56763.18   2780.89  60254.11   2782.90  323.181 7.9445  333.004 7.7158  -9.822876      11.07468  
1 1 1 -12 34  7  o 252.136 4.5789  34470.81   1250.45  33386.96   1767.34  35557.29   1769.48  247.977 6.5802  255.929 6.3835  -7.952316      9.167755  
1 1 1 -12 34  8  o 294.444 5.1938  47030.25   1656.36  45849.02   2341.08  48214.24   2343.83  290.466 7.4413  297.888 7.2644  -7.422058      10.39931  
1 1 1 -12 34  9  o 115.510 2.9948  7229.95    374.683  7012.16    524.744  7456.48    535.174  113.723 4.2602  117.272 4.2134  -3.549110      5.991823  
1 1 1 -12 34  10 o 181.207 4.1752  17803.85   819.448  17599.70   1419.98  17905.78   1003.38  179.943 7.2858  181.671 5.0993  -1.727951      8.893029  
1 1 1 -12 34  11 o 255.847 5.3347  35522.71   1478.29  34446.22   1808.95  37686.99   2564.95  251.798 6.6329  263.021 9.0037  -11.22292      11.18308  
1 1 1 -12 34  12 o 139.184 3.1880  10499.38   480.589  10040.60   679.735  10957.94   679.575  136.051 4.6129  142.140 4.4142  -6.089096      6.384635  
1 1 1 -12 34  13 o 253.598 4.6335  34890.62   1272.69  34409.79   1800.88  35370.35   1798.82  251.612 6.6082  255.113 6.5101  -3.501404      9.276297  
1 1 1 -12 34  14 o 128.467 3.1303  8945.77    435.564  8804.34    620.791  9082.90    611.279  127.386 4.4994  129.393 4.3617  -2.006721      6.266500  
1 1 1 -12 34  15 f 292.827 5.2088  46566.40   1652.03  47477.22   2338.78  45659.41   2333.87  295.278 7.3129  289.542 7.4421  5.736206       10.43375  
1 1 1 -12 34  16 o 78.549  3.1015  3345.09    263.868  3332.55    387.391  3355.95    360.402  78.215  4.5931  78.522  4.2535  -0.3079224     6.260059  
1 1 1 -12 34  17 o 145.805 3.3048  11530.47   521.907  11843.13   741.773  11223.94   734.459  147.660 4.6381  143.740 4.7176  3.919266       6.615679  
1 1 1 -12 34  18 o 151.273 3.3677  12417.01   551.780  12914.98   794.872  11953.87   766.566  154.125 4.7616  148.278 4.7731  5.847076       6.742087  
1 1 1 -12 34  19 o 127.194 3.1753  8781.33    437.449  8840.90    637.409  8728.29    601.450  127.464 4.6170  126.679 4.3835  0.7844849      6.366473  
1 1 1 -12 34  20 o 98.203  2.9876  5236.20    317.777  5580.52    656.393  5130.79    363.175  100.803 6.0398  97.168  3.4508  3.635681       6.956143  
1 1 1 -12 34  21 o 79.933  3.0891  3472.44    267.441  3667.19    547.310  3411.36    306.529  81.468  6.2503  79.179  3.5743  2.288956       7.200162  
1 1 1 -12 34  22 o 64.776  3.4205  2290.69    239.126  2296.12    480.279  2288.90    275.733  64.036  7.0410  64.663  3.9560  -0.6273880     8.076227  
1 1 1 -12 34  23 o 101.656 3.0987  5625.33    341.182  5473.47    682.179  5675.98    393.999  99.258  6.3793  102.027 3.5654  -2.769325      7.308010  
1 1 1 -12 34  24 o 84.345  4.5811  3916.15    416.931  0.0000     0.0000   3916.15    416.931  ?       ?       84.345  4.5811  0.000000       4.581074  
1 1 1 -12 34  25 o 37.719  7.4693  828.493    294.351  0.0000     0.0000   828.493    294.351  ?       ?       37.719  7.4693  0.000000       7.469274  
1 1 1 -12 34  26 o 37.157  7.4661  810.925    290.044  0.0000     0.0000   810.925    290.044  ?       ?       37.157  7.4661  0.000000       7.466140  
1 1 1 -12 34  27 o 31.328  8.3636  592.952    289.109  0.0000     0.0000   592.952    289.109  ?       ?       31.328  8.3636  0.000000       8.363562  
1 1 1 -12 34  28 o 45.763  6.5895  1217.32    317.199  0.0000     0.0000   1217.32    317.199  ?       ?       45.763  6.5895  0.000000       6.589500  
1 1 1 -12 34  29 o 22.188  8.5149  240.159    287.117  0.0000     0.0000   240.159    287.117  ?       ?       22.188  8.5149  0.000000       8.514928  
1 1 1 -12 34  30 o 33.751  7.4315  718.951    264.315  0.0000     0.0000   718.951    264.315  ?       ?       33.751  7.4315  0.000000       7.431486  
1 1 1 -12 34  31 o 15.420  7.3352  -288.8295  334.981  150.910    486.196  -686.2081  462.185  22.829  10.069  15.825  7.7758  7.004272       12.72206  
1 1 1 -12 34  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 35  1  o 129.110 2.9664  9031.53    414.819  9265.50    474.794  8276.96    852.665  130.764 3.3523  123.330 6.4053  7.433495       7.229488  
1 1 1 -12 35  2  o 254.519 4.5543  35119.77   1255.48  34296.14   1447.33  37623.41   2523.41  251.467 5.3139  263.038 8.8572  -11.57086      10.32901  
1 1 1 -12 35  3  o 208.979 4.0083  23670.90   907.264  23736.68   1045.69  23470.62   1824.63  209.240 4.6141  207.821 8.1062  1.419708       9.327390  
1 1 1 -12 35  4  o 407.884 6.9782  90333.93   3082.83  90948.46   3558.50  88485.15   6172.16  409.095 8.0311  402.047 14.174  7.048096       16.29105  
1 1 1 -12 35  5  o 145.569 3.1520  11482.03   496.972  11215.63   701.286  11750.79   704.375  143.829 4.5017  147.224 4.4173  -3.394547      6.306972  
1 1 1 -12 35  6  o 324.223 5.6379  57033.74   1979.84  60366.17   2799.92  53701.33   2799.91  333.285 7.7564  314.280 8.2254  19.00491       11.30568  
1 1 1 -12 35  7  o 188.919 3.7275  19344.55   762.714  19610.76   1076.72  19076.44   1080.56  190.136 5.2284  187.523 5.3202  2.613708       7.459270  
1 1 1 -12 35  8  o 104.620 2.8809  5930.65    326.454  5876.46    461.274  5985.04    462.079  104.113 4.0906  105.072 4.0603  -0.9583359     5.763578  
1 1 1 -12 35  9  o 327.509 5.6593  58213.12   2007.50  55923.07   2837.41  60508.44   2840.67  320.628 8.1705  333.569 7.8626  -12.94110      11.33919  
1 1 1 -12 35  10 o 520.387 11.216  147958.50  6321.62  144197.91  9837.41  150603.70  8250.69  510.326 17.798  523.443 14.553  -13.11621      22.99010  
1 1 1 -12 35  11 o 397.145 7.7961  85804.03   3353.50  83450.08   4105.75  90521.82   5812.50  391.178 9.6905  406.201 13.211  -15.02359      16.38443  
1 1 1 -12 35  12 o 188.026 3.7559  19167.35   764.893  19087.69   1081.69  19247.02   1081.76  187.529 5.3255  188.312 5.3037  -0.7827606     7.516033  
1 1 1 -12 35  13 o 77.462  2.9990  3252.01    251.618  3550.20    360.400  2968.45    351.451  80.802  4.1319  73.843  4.4145  6.959084       6.046468  
1 1 1 -12 35  14 o 54.580  3.5363  1621.93    207.923  1666.09    297.219  1579.60    290.976  55.173  5.0289  53.706  5.0620  1.467491       7.135407  
1 1 1 -12 35  15 o 187.230 3.7506  19012.27   760.590  19497.20   1079.51  18534.25   1071.80  189.468 5.2604  184.720 5.3571  4.747986       7.508040  
1 1 1 -12 35  16 o 178.120 3.6417  17209.65   702.571  17317.81   998.467  17103.59   988.773  178.532 5.1635  177.427 5.1453  1.105621       7.289428  
1 1 1 -12 35  17 o 142.966 3.3488  11087.04   518.549  10689.07   746.748  11457.65   720.627  140.244 4.9161  145.232 4.5812  -4.988174      6.719775  
1 1 1 -12 35  18 o 112.379 3.0010  6850.59    365.273  7019.78    517.583  6682.71    515.571  113.668 4.2041  110.898 4.2923  2.770203       6.008195  
1 1 1 -12 35  19 o 90.529  3.0044  4447.79    294.588  4690.02    432.579  4238.30    402.290  92.857  4.3011  88.281  4.2073  4.576561       6.016709  
1 1 1 -12 35  20 o 30.689  4.7759  525.532    153.584  1120.20    374.742  405.481    168.374  44.383  8.0938  26.701  5.9717  17.68210       10.05837  
1 1 1 -12 35  21 o 65.831  3.3768  2363.47    239.963  1992.99    477.792  2488.45    277.499  59.557  7.5785  67.490  3.8118  -7.933094      8.483152  
1 1 1 -12 35  22 o 140.121 3.2839  10686.38   498.384  9596.91    994.651  11051.60   575.893  131.444 7.0118  142.391 3.7341  -10.94637      7.944136  
1 1 1 -12 35  23 f 114.416 3.1239  7127.94    387.129  7034.83    771.988  7159.22    447.457  112.549 6.3589  114.564 3.6061  -2.015366      7.310194  
1 1 1 -12 35  24 o 48.309  2.0959  1267.54    109.666  1315.78    120.529  1035.52    264.324  49.208  2.2614  42.880  5.8435  6.328644       6.265838  
1 1 1 -12 35  25 o 46.868  4.7052  1221.83    235.627  1726.74    494.313  1073.37    268.039  54.310  8.6968  43.586  5.8234  10.72407       10.46639  
1 1 1 -12 35  26 f 79.456  4.6852  3501.96    401.421  0.0000     0.0000   3501.96    401.421  ?       ?       79.456  4.6852  0.000000       4.685181  
1 1 1 -12 35  27 o 94.840  4.5337  4985.15    465.708  0.0000     0.0000   4985.15    465.708  ?       ?       94.840  4.5337  0.000000       4.533676  
1 1 1 -12 35  28 o 65.165  5.1865  2395.14    363.036  0.0000     0.0000   2395.14    363.036  ?       ?       65.165  5.1865  0.000000       5.186462  
1 1 1 -12 35  29 o 31.296  8.5689  620.764    298.965  0.0000     0.0000   620.764    298.965  ?       ?       31.296  8.5689  0.000000       8.568866  
1 1 1 -12 35  30 o 24.715  8.8293  381.548    298.887  0.0000     0.0000   381.548    298.887  ?       ?       24.715  8.8293  0.000000       8.829315  
1 1 1 -12 35  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 36  1  o 225.232 4.1817  27498.33   1020.11  27329.65   1175.31  28013.50   2053.96  224.504 4.8335  227.013 8.3536  -2.508774      9.651132  
1 1 1 -12 36  2  o 214.618 4.0829  24966.74   949.076  24696.02   1093.33  25794.43   1911.71  213.418 4.7299  217.859 8.1017  -4.441116      9.381294  
1 1 1 -12 36  3  o 48.174  1.7572  1257.03    91.688   992.521    157.612  1392.33    112.725  42.658  3.4405  50.699  2.0528  -8.040913      4.006411  
1 1 1 -12 36  4  o 180.500 3.5765  17656.58   699.215  17851.53   987.765  17460.79   989.917  181.431 5.0266  179.431 5.0937  1.999985       7.156259  
1 1 1 -12 36  5  o 115.928 2.8787  7281.56    361.452  7447.84    509.305  7112.83    513.056  117.218 4.0116  114.548 4.1353  2.669983       5.761390  
1 1 1 -12 36  6  o 199.557 3.7387  21584.45   808.079  21110.20   1141.36  22061.10   1144.24  197.266 5.3419  201.667 5.2386  -4.400620      7.481900  
1 1 1 -12 36  7  o 270.092 4.9217  39565.70   1439.78  39450.25   2035.51  39681.29   2036.81  269.492 6.9736  270.282 6.9577  -0.7898560     9.850899  
1 1 1 -12 36  8  o 146.096 3.2181  11566.69   509.218  11863.11   719.670  11269.48   720.617  147.908 4.4923  144.155 4.6154  3.753448       6.440692  
1 1 1 -12 36  9  o 225.903 4.0448  27667.44   989.670  26653.27   1397.89  28686.58   1401.32  221.591 5.8244  229.905 5.6275  -8.314697      8.098952  
1 1 1 -12 36  10 o 377.050 7.4370  77296.63   3037.18  78002.65   5260.49  76943.61   3719.78  377.282 12.873  375.810 9.1386  1.472107       15.78721  
1 1 1 -12 36  11 o 192.514 4.0076  20095.26   835.625  19951.13   1120.06  20276.18   1254.91  191.727 5.3937  193.232 5.9960  -1.505264      8.064984  
1 1 1 -12 36  12 o 203.389 4.0539  22432.13   893.044  23009.44   1194.47  21700.41   1344.76  205.889 5.3564  199.867 6.2120  6.021698       8.202438  
1 1 1 -12 36  13 o 280.194 5.0033  42610.18   1518.39  39887.82   2145.50  45341.85   2149.17  270.757 7.3161  288.755 6.8718  -17.99771      10.03728  
1 1 1 -12 36  14 o 125.059 3.1096  8477.79    421.200  8769.36    606.423  8206.03    585.464  127.130 4.4041  122.980 4.3954  4.150620       6.222167  
1 1 1 -12 36  15 f 226.497 4.2729  27837.04   1048.23  27480.73   1484.76  28191.11   1480.09  224.813 6.0977  227.715 6.0010  -2.901535      8.555346  
1 1 1 -12 36  16 o 94.466  3.0471  4838.48    311.765  5106.27    460.922  4612.64    423.284  96.984  4.3879  92.185  4.2394  4.799423       6.101323  
1 1 1 -12 36  17 o 162.812 3.4669  14381.99   611.358  14472.81   870.446  14293.58   858.852  163.172 4.9252  162.163 4.8899  1.009155       6.940350  
1 1 1 -12 36  18 o 100.344 3.0886  5462.93    335.674  5508.42    480.345  5419.51    469.277  100.664 4.4056  99.854  4.3390  0.8099899      6.183607  
1 1 1 -12 36  19 o 117.183 3.0775  7454.04    390.597  7418.83    563.401  7486.62    541.995  116.756 4.4552  117.312 4.2656  -0.5562057     6.168038  
1 1 1 -12 36  20 o 77.020  3.4505  3224.88    287.844  3361.47    523.330  3165.64    344.661  78.057  6.2423  76.126  4.1963  1.930382       7.521646  
1 1 1 -12 36  21 o 165.718 3.5326  14947.02   634.074  15014.68   1266.28  14924.38   732.527  164.850 7.0920  165.452 4.0877  -0.6028595     8.185726  
1 1 1 -12 36  22 o 111.179 3.1021  6724.72    373.546  6791.73    745.418  6702.25    431.658  110.797 6.2369  110.906 3.5935  -0.1088181     7.198070  
1 1 1 -12 36  23 o 94.219  3.0920  4833.87    315.532  5461.01    631.211  4624.96    364.316  99.267  5.8973  92.061  3.6537  7.206375       6.937440  
1 1 1 -12 36  24 o 58.123  4.0238  1858.05    251.751  2256.86    519.908  1735.90    287.733  62.853  7.8051  55.988  4.7910  6.865459       9.158262  
1 1 1 -12 36  25 o 34.897  2.5682  666.562    96.388   583.960    103.655  1194.44    262.037  32.589  2.9692  46.146  5.3415  -13.55697      6.111254  
1 1 1 -12 36  26 o 53.171  4.3638  1569.28    249.094  2177.66    520.793  1388.82    283.643  61.082  8.0695  49.689  5.3549  11.39245       9.684675  
1 1 1 -12 36  27 o 42.118  2.2999  969.352    104.520  1605.27    508.261  941.272    106.803  51.236  9.5089  41.487  2.3869  9.749588       9.803884  
1 1 1 -12 36  28 o 37.139  2.1865  754.411    87.563   979.746    486.135  746.856    89.019   38.696  11.051  36.943  2.2352  1.752743       11.27455  
1 1 1 -12 36  29 o 26.139  2.0313  375.068    57.055   0.0000     0.0000   375.068    57.055   ?       ?       26.139  2.0313  0.000000       2.031252  
1 1 1 -12 36  30 o 27.887  8.8968  517.973    303.091  0.0000     0.0000   517.973    303.091  ?       ?       27.887  8.8968  0.000000       8.896801  
1 1 1 -12 36  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 37  1  o 79.114  2.6681  3390.96    228.630  3485.43    257.730  3042.06    495.309  80.205  2.9668  74.614  6.1847  5.590828       6.859478  
1 1 1 -12 37  2  o 110.363 3.0583  6599.58    365.576  6949.96    417.964  5458.79    754.172  113.248 3.4075  100.018 7.0061  13.22997       7.790768  
1 1 1 -12 37  3  o 133.110 2.6708  9599.22    385.059  9501.90    496.415  9746.21    610.116  132.415 3.4613  134.085 4.2011  -1.669891      5.443312  
1 1 1 -12 37  4  o 53.253  2.7638  1540.61    158.863  1547.94    222.759  1533.02    226.624  53.299  3.8855  53.032  3.9744  0.2664566      5.558133  
1 1 1 -12 37  5  o 51.972  2.1026  1463.16    118.358  1387.04    138.500  1669.25    227.900  50.599  2.5272  55.363  3.8241  -4.763905      4.583687  
1 1 1 -12 37  6  o 266.229 4.8840  38440.61   1408.33  38967.40   1991.04  37913.13   1992.33  267.856 6.8629  264.196 6.9625  3.659485       9.776286  
1 1 1 -12 37  7  o 282.468 4.9872  43278.39   1525.81  43404.89   2156.77  43151.63   2158.86  282.657 7.0449  281.828 7.0725  0.8293457      9.982485  
1 1 1 -12 37  8  o 420.463 6.9970  96053.72   3186.45  94300.38   4505.58  97808.20   4507.05  415.900 10.002  423.615 9.8232  -7.714722      14.01915  
1 1 1 -12 37  9  o 209.525 3.8864  23799.68   881.965  23770.56   1246.27  23828.88   1248.30  209.287 5.4980  209.543 5.5002  -0.2564087     7.776855  
1 1 1 -12 37  10 o 111.245 3.4415  6707.83    414.663  6218.58    718.295  6952.38    507.829  106.825 6.2352  113.233 4.1407  -6.408005      7.484858  
1 1 1 -12 37  11 o 138.783 3.1316  10438.63   470.737  10096.76   664.601  10782.81   666.851  136.437 4.4974  141.002 4.3665  -4.565369      6.268387  
1 1 1 -12 37  12 o 87.496  2.9793  4148.92    282.345  4409.78    393.615  3872.45    405.229  90.177  4.0300  84.375  4.4499  5.801842       6.003568  
1 1 1 -12 37  13 o 103.787 2.9858  5838.23    335.636  5815.00    474.930  5861.41    474.393  103.538 4.2350  103.951 4.2134  -0.4132156     5.974004  
1 1 1 -12 37  14 o 170.572 3.5543  15776.32   656.654  15515.48   931.173  16034.34   926.146  169.044 5.0858  171.857 4.9756  -2.812881      7.114913  
1 1 1 -12 37  15 o 150.309 3.3487  12250.75   545.162  12030.36   775.424  12466.16   766.603  148.851 4.8097  151.534 4.6708  -2.683350      6.704437  
1 1 1 -12 37  16 o 226.233 4.2711  27784.62   1046.58  26944.40   1482.70  28618.94   1477.48  222.497 6.1526  229.344 5.9479  -6.847214      8.557559  
1 1 1 -12 37  17 o 188.887 3.8096  19367.26   779.377  20381.41   1051.38  18130.18   1161.20  193.602 5.0139  182.459 5.8759  11.14368       7.724329  
1 1 1 -12 37  18 o 215.673 4.1212  25278.89   962.704  24564.65   1362.96  25990.03   1359.99  212.206 5.9300  218.322 5.7513  -6.116806      8.260894  
1 1 1 -12 37  19 o 92.824  3.0129  4677.34    302.915  4801.17    442.162  4567.83    415.823  93.923  4.3465  91.629  4.1899  2.294617       6.037171  
1 1 1 -12 37  20 o 162.606 3.4493  14376.74   607.493  15806.67   879.288  13070.85   840.287  170.190 4.7701  154.700 5.0150  15.48979       6.921238  
1 1 1 -12 37  21 o 121.530 3.1465  8031.50    414.178  8201.17    824.207  7974.18    479.058  121.914 6.2630  121.009 3.6551  0.9056396      7.251526  
1 1 1 -12 37  22 o 65.129  3.3941  2316.31    238.598  2104.64    474.204  2388.06    276.092  61.147  7.3048  66.051  3.8762  -4.904461      8.269506  
1 1 1 -12 37  23 o 59.083  3.5652  1911.59    227.081  1982.98    454.386  1887.83    262.167  59.196  7.2378  58.597  4.1577  0.5981789      8.347017  
1 1 1 -12 37  24 o 60.913  3.8944  2038.49    255.587  2139.97    525.923  2007.11    292.444  61.003  8.1645  60.293  4.5109  0.7105141      9.327774  
1 1 1 -12 37  25 o 40.360  2.2571  888.612    98.271   642.262    482.479  899.274    100.375  33.241  11.257  40.597  2.2921  -7.355793      11.48776  
1 1 1 -12 37  26 o 72.427  2.6803  2861.09    210.263  3135.39    279.308  2502.34    319.427  75.654  3.4086  67.192  4.4137  8.462234       5.576715  
1 1 1 -12 37  27 o 51.169  4.4811  1461.49    245.849  1206.05    506.305  1540.31    281.229  43.542  10.791  52.346  5.0220  -8.804054      11.90198  
1 1 1 -12 37  28 o 33.263  6.4708  653.138    224.731  849.558    464.585  593.138    256.771  36.075  10.939  31.241  7.6497  4.834129       13.34849  
1 1 1 -12 37  29 o 16.359  1.4080  146.562    24.706   95.836     34.368   200.807    35.540   13.005  2.5309  19.122  1.7348  -6.117186      3.068412  
1 1 1 -12 37  30 o 14.298  6.6623  -165.8608  252.054  -308.0583  443.258  -97.9093   306.416  18.007  8.5282  16.701  7.6230  1.306028       11.43852  
1 1 1 -12 37  31 o 19.446  9.0404  -137.4451  459.906  -137.4451  459.906  0.0000     0.0000   19.446  9.0404  ?       ?       0.000000       9.040409  
1 1 1 -12 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 38  1  o 357.823 6.5327  69510.87   2531.82  70603.66   2713.79  62172.00   7032.68  360.565 6.9490  334.618 19.489  25.94772       20.69066  
1 1 1 -12 38  2  f 307.957 5.4213  51447.65   1808.26  50989.61   2086.02  52832.27   3626.86  306.493 6.2839  311.292 10.757  -4.798798      12.45796  
1 1 1 -12 38  3  o 174.314 3.1809  16465.19   600.550  16370.08   794.880  16591.68   916.697  173.771 4.2233  174.914 4.8387  -1.143433      6.422596  
1 1 1 -12 38  4  o 247.114 4.7952  33115.77   1283.43  33535.71   1700.18  32559.46   1956.85  248.550 6.3155  244.799 7.3804  3.751312       9.713688  
1 1 1 -12 38  5  o 178.432 3.6481  17255.96   705.025  17140.49   995.660  17372.09   998.457  177.761 5.1714  178.959 5.1512  -1.198059      7.299152  
1 1 1 -12 38  6  o 42.269  3.0717  973.240    139.663  941.677    193.720  1007.40    201.538  41.444  4.3821  42.879  4.4019  -1.435558      6.211279  
1 1 1 -12 38  7  o 428.611 7.2819  99834.27   3380.48  96794.62   4779.65  102876.60  4781.79  421.253 10.476  434.378 10.164  -13.12433      14.59593  
1 1 1 -12 38  8  o 273.236 4.8125  40495.00   1424.21  40278.83   2014.06  40711.21   2014.23  272.288 6.8293  273.750 6.7934  -1.462097      9.632682  
1 1 1 -12 38  9  o 199.730 4.0722  21629.01   880.937  22270.71   1177.95  20814.65   1326.99  202.583 5.3685  195.777 6.2580  6.806152       8.245240  
1 1 1 -12 38  10 o 91.049  3.3961  4493.33    334.911  4589.39    571.406  4443.05    413.355  91.762  5.7788  90.517  4.2162  1.244690       7.153351  
1 1 1 -12 38  11 o 182.650 3.6995  18086.11   731.873  18311.39   1031.85  17858.03   1038.23  183.689 5.1864  181.393 5.2845  2.295486       7.404342  
1 1 1 -12 38  12 o 181.664 3.6292  17892.20   714.077  17303.84   1009.12  18482.29   1010.60  178.546 5.2182  184.538 5.0562  -5.992645      7.266004  
1 1 1 -12 38  13 o 165.960 3.5049  14932.96   630.017  14516.95   890.777  15349.34   891.179  163.532 5.0292  168.165 4.8928  -4.633682      7.016559  
1 1 1 -12 38  14 o 153.464 3.3490  12768.81   556.665  13547.33   789.806  12000.31   784.704  157.991 4.6155  148.678 4.8729  9.312744       6.711780  
1 1 1 -12 38  15 o 240.665 4.6969  31448.84   1224.31  31128.35   1627.59  31866.53   1858.09  239.189 6.2825  241.854 7.0932  -2.664398      9.475415  
1 1 1 -12 38  16 o 67.595  2.5981  2476.74    190.213  3012.12    347.105  2246.96    227.396  74.356  4.3287  64.282  3.2769  10.07436       5.429162  
1 1 1 -12 38  17 o 126.160 3.1641  8634.43    432.359  8181.12    618.550  9067.51    604.585  122.681 4.6551  129.190 4.3208  -6.508347      6.351260  
1 1 1 -12 38  18 o 145.286 3.4020  11460.14   535.341  11103.82   764.793  11802.45   749.609  142.807 4.9445  147.270 4.6995  -4.462128      6.821544  
1 1 1 -12 38  19 o 154.580 3.4095  12982.53   570.833  13391.82   819.726  12597.19   795.383  156.742 4.8285  152.020 4.8306  4.721832       6.830046  
1 1 1 -12 38  20 o 155.416 3.4519  13136.33   581.072  13639.94   851.539  12697.49   794.902  158.007 4.9757  152.494 4.8127  5.513367       6.922451  
1 1 1 -12 38  21 o 70.637  2.6413  2710.23    202.080  2468.42    281.056  2969.02    290.760  67.185  3.8788  73.833  3.6359  -6.647491      5.316492  
1 1 1 -12 38  22 o 56.448  3.6361  1744.21    221.127  2062.23    437.628  1635.18    256.245  60.657  6.7771  54.515  4.3767  6.141979       8.067512  
1 1 1 -12 38  23 o 58.450  3.6022  1871.77    226.936  2379.81    452.066  1700.61    262.394  65.156  6.4923  55.542  4.3977  9.614304       7.841541  
1 1 1 -12 38  24 o 48.614  1.8386  1282.91    96.811   -409.2910  457.381  1362.28    99.055   18.909  8.8642  50.096  1.8256  -31.18629      9.050212  
1 1 1 -12 38  25 o 64.424  3.8047  2283.19    264.306  2301.82    531.549  2277.08    304.636  63.092  7.9553  64.167  4.4101  -1.074612      9.095935  
1 1 1 -12 38  26 o 57.734  4.0913  1844.62    254.183  1609.44    500.954  1926.16    294.974  51.690  9.2894  58.816  4.6688  -7.125942      10.39663  
1 1 1 -12 38  27 o 50.912  2.5366  1414.38    139.875  1338.70    160.518  1653.14    285.122  49.365  3.0167  54.282  4.9025  -4.917488      5.756257  
1 1 1 -12 38  28 o 61.989  3.9828  2137.71    265.992  2101.97    535.037  2149.45    306.561  58.713  8.6747  61.886  4.6066  -3.172386      9.822001  
1 1 1 -12 38  29 o 27.198  7.3934  461.302    223.515  469.928    456.284  458.578    256.383  27.837  10.721  26.947  8.1163  0.8907242      13.44692  
1 1 1 -12 38  30 o 40.056  2.6104  887.602    112.635  827.511    119.064  1399.44    347.488  38.586  2.8694  47.676  6.9324  -9.090206      7.502749  
1 1 1 -12 38  31 o 40.075  11.616  1275.41    533.461  0.0000     0.0000   1275.41    533.461  ?       ?       40.075  11.616  0.000000       11.61578  
1 1 1 -12 38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 39  1  o 99.936  2.7761  5411.11    300.485  5703.02    341.950  4421.68    629.549  102.591 3.0774  90.013  6.5011  12.57806       7.192666  
1 1 1 -12 39  2  o 230.332 4.8368  28771.25   1206.66  28318.43   1324.70  30977.66   2924.16  228.476 5.3531  238.251 11.332  -9.775177      12.53250  
1 1 1 -12 39  3  o 340.532 5.7892  62926.85   2135.24  62234.32   3018.75  63620.23   3020.61  338.302 8.2386  342.062 8.1530  -3.760590      11.59080  
1 1 1 -12 39  4  o 231.843 4.4870  29145.13   1126.73  28846.28   1592.64  29444.57   1594.23  230.506 6.3792  232.890 6.3202  -2.383484      8.979921  
1 1 1 -12 39  5  f 68.346  2.6457  2530.77    195.846  2508.61    273.682  2554.03    280.376  67.928  3.7342  68.538  3.7916  -0.6100845     5.321710  
1 1 1 -12 39  6  o 80.043  2.4287  3471.03    210.554  3528.69    274.912  3389.22    327.472  80.695  3.1454  79.072  3.8237  1.622955       4.951172  
1 1 1 -12 39  7  o 52.293  2.9153  1486.38    164.464  1550.80    234.140  1423.64    231.066  53.327  4.0848  51.068  4.2152  2.258949       5.869701  
1 1 1 -12 39  8  o 155.447 3.2682  13095.58   550.248  13415.12   778.788  12777.05   777.550  157.276 4.5718  153.485 4.6773  3.791046       6.540509  
1 1 1 -12 39  9  o 83.836  2.5676  3808.12    233.148  3792.77    358.856  3819.33    306.695  83.639  3.9613  83.945  3.3732  -0.3054352     5.202932  
1 1 1 -12 39  10 o 319.367 7.9409  55501.30   2746.83  56330.77   3882.10  54669.68   3887.11  320.996 11.166  316.178 11.351  4.817810       15.92227  
1 1 1 -12 39  11 o 80.634  2.9158  3523.50    254.652  3437.61    357.004  3612.47    363.343  79.508  4.1601  81.513  4.1289  -2.004814      5.861272  
1 1 1 -12 39  12 o 344.525 5.9680  64482.18   2227.00  61561.68   3148.39  67406.62   3150.50  336.055 8.6498  351.746 8.2695  -15.69049      11.96681  
1 1 1 -12 39  13 o 141.163 3.3897  10803.48   518.257  10624.18   710.612  11007.22   757.482  139.915 4.6892  142.400 4.9113  -2.485214      6.790359  
1 1 1 -12 39  14 f 175.972 3.6297  16793.24   691.801  16252.94   972.620  17346.48   984.191  172.992 5.1910  178.727 5.0842  -5.735291      7.266000  
1 1 1 -12 39  15 o 110.102 3.0412  6572.43    362.667  6392.39    518.462  6744.92    507.490  108.515 4.4112  111.479 4.2030  -2.964386      6.092971  
1 1 1 -12 39  16 o 93.521  3.0224  4742.92    306.150  4371.10    441.092  5088.54    425.265  89.588  4.5608  96.817  4.0555  -7.228157      6.103113  
1 1 1 -12 39  17 o 306.174 5.4452  51042.14   1805.74  48705.48   2554.98  53374.11   2552.42  298.191 7.9109  312.315 7.5455  -14.12418      10.93236  
1 1 1 -12 39  18 o 142.363 3.2892  11003.48   507.173  10789.38   719.503  11214.92   715.021  140.784 4.7185  143.552 4.5987  -2.768051      6.588857  
1 1 1 -12 39  19 o 66.346  3.1646  2390.93    227.407  2872.00    339.986  2001.46    305.910  72.492  4.3503  60.414  4.7123  12.07764       6.413322  
1 1 1 -12 39  20 o 89.469  3.1643  4351.10    306.632  4720.90    460.554  4056.67    410.958  93.005  4.5720  86.126  4.4204  6.879486       6.359462  
1 1 1 -12 39  21 o 87.570  3.0935  4170.60    293.413  3918.30    578.385  4258.03    340.477  84.066  6.4003  88.423  3.5551  -4.356979      7.321429  
1 1 1 -12 39  22 o 100.606 2.9433  5506.22    320.721  5666.00    568.213  5431.51    388.528  101.446 5.1888  99.810  3.5940  1.635452       6.311900  
1 1 1 -12 39  23 o 153.997 3.4259  12937.10   571.414  13896.39   1140.63  12615.69   660.236  158.010 6.6649  151.866 4.0139  6.144287       7.780223  
1 1 1 -12 39  24 o 73.829  3.4896  2978.25    279.046  3020.76    548.374  2963.39    324.151  73.078  7.0143  73.413  4.0929  -0.3344345     8.121149  
1 1 1 -12 39  25 o 76.833  3.4758  3231.17    289.246  3338.84    571.120  3194.02    335.448  76.618  6.9580  76.133  4.0829  0.4857559      8.067469  
1 1 1 -12 39  26 o 60.488  4.1328  2025.80    269.142  1859.44    512.586  2089.12    316.242  55.882  8.7565  61.196  4.8100  -5.314018      9.990611  
1 1 1 -12 39  27 o 91.399  3.0080  4573.26    297.780  4790.38    655.352  4516.77    334.281  91.439  6.6630  90.697  3.4029  0.7421188      7.481696  
1 1 1 -12 39  28 o 14.208  6.4176  -85.8389   210.288  -238.8293  423.647  -35.8199   242.237  18.877  8.7415  16.098  7.1035  2.778772       11.26382  
1 1 1 -12 39  29 o 56.323  2.3532  1738.63    143.554  1674.04    512.563  1744.13    149.538  50.178  9.7826  56.385  2.4486  -6.206947      10.08442  
1 1 1 -12 39  30 o 48.208  5.8482  1384.20    299.109  1031.43    509.948  1569.23    369.309  36.710  11.520  50.480  6.9380  -13.77019      13.44785  
1 1 1 -12 39  31 o 36.759  11.640  1093.54    519.542  0.0000     0.0000   1093.54    519.542  ?       ?       36.759  11.640  0.000000       11.63980  
1 1 1 -12 39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 40  1  o 137.695 3.0123  10273.44   449.243  10119.03   514.683  10767.45   920.614  136.643 3.4776  140.848 6.0347  -4.204956      6.965021  
1 1 1 -12 40  2  o 283.665 4.8470  43639.54   1489.19  44669.34   2000.66  42360.06   2230.04  286.835 6.4398  279.211 7.3741  7.623169       9.790200  
1 1 1 -12 40  3  o 397.250 7.0650  85725.57   3039.79  83159.23   4298.06  88293.98   4299.78  390.616 10.159  402.569 9.8613  -11.95279      14.15810  
1 1 1 -12 40  4  o 449.219 7.5838  109681.50  3689.93  107853.70  5217.73  111510.10  5218.96  444.622 10.835  452.150 10.657  -7.528015      15.19744  
1 1 1 -12 40  5  o 293.248 5.6200  46665.82   1785.01  46537.18   2739.31  46760.75   2353.22  292.436 8.6485  293.326 7.4070  -0.8901367     11.38684  
1 1 1 -12 40  6  o 291.398 5.1302  46064.84   1619.17  47142.54   2289.45  44986.37   2290.27  294.542 7.1765  287.703 7.3497  6.838470       10.27234  
1 1 1 -12 40  7  f 348.445 6.1486  65922.14   2320.51  67559.31   3281.24  64284.05   3282.16  352.311 8.5989  343.620 8.8188  8.690887       12.31715  
1 1 1 -12 40  8  f 112.696 2.8849  6881.96    352.136  7297.98    499.261  6470.12    496.740  116.021 3.9730  109.236 4.1985  6.785744       5.780329  
1 1 1 -12 40  9  o 113.562 2.9083  6988.41    357.716  7064.73    507.767  6913.20    504.028  114.145 4.1071  112.914 4.1213  1.231201       5.818411  
1 1 1 -12 40  10 o 230.669 6.1171  28898.38   1528.30  29170.49   2157.14  28624.15   2165.55  231.425 8.6060  229.230 8.7222  2.195206       12.25316  
1 1 1 -12 40  11 o 109.735 2.9828  6526.04    354.514  6448.55    493.950  6608.36    509.112  109.042 4.1823  110.382 4.2584  -1.339890      5.968718  
1 1 1 -12 40  12 o 110.200 3.0659  6582.22    365.935  6700.59    503.341  6449.51    532.948  111.146 4.1812  109.029 4.5131  2.116539       6.152255  
1 1 1 -12 40  13 o 164.389 3.4661  14652.25   617.138  13846.36   865.938  15484.06   879.755  159.701 5.0062  168.898 4.8091  -9.196747      6.941892  
1 1 1 -12 40  14 o 217.195 4.1069  25595.26   966.135  24057.59   1361.78  27153.63   1370.91  210.348 5.9772  223.520 5.6627  -13.17128      8.233641  
1 1 1 -12 40  15 o 207.615 3.9904  23391.22   897.312  22029.62   1263.58  24776.41   1274.47  201.252 5.7968  213.474 5.5121  -12.22256      7.999150  
1 1 1 -12 40  16 o 230.456 4.3009  28845.21   1073.53  27797.26   1517.92  29893.94   1518.49  225.879 6.2045  234.292 5.9839  -8.412918      8.619871  
1 1 1 -12 40  17 o 157.354 3.4106  13439.64   581.266  13917.03   823.481  12965.59   820.596  159.953 4.7532  154.366 4.9080  5.586914       6.832428  
1 1 1 -12 40  18 o 114.186 3.0012  7076.69    371.181  7057.10    535.648  7094.77    514.829  113.891 4.3423  114.216 4.1617  -0.3250351     6.014566  
1 1 1 -12 40  19 o 70.740  3.1260  2718.28    239.507  2551.62    354.164  2858.74    325.125  68.226  4.8238  72.340  4.1672  -4.113884      6.374518  
1 1 1 -12 40  20 o 92.784  3.1507  4680.12    316.626  4723.01    466.334  4643.44    431.272  93.002  4.6295  92.265  4.3156  0.7369843      6.329039  
1 1 1 -12 40  21 o 72.656  2.5522  2867.28    200.839  2530.40    489.744  2935.39    220.207  67.324  6.8100  73.494  2.7664  -6.170517      7.350392  
1 1 1 -12 40  22 o 53.866  3.7338  1590.67    216.494  1823.60    424.214  1508.63    251.746  56.873  7.0368  52.309  4.4868  4.563965       8.345591  
1 1 1 -12 40  23 o 59.209  3.6622  1921.85    233.700  2043.20    487.109  1885.57    266.357  59.873  7.6892  58.526  4.2303  1.346252       8.776085  
1 1 1 -12 40  24 o 76.198  3.4535  3172.74    285.021  3421.09    559.702  3085.79    331.179  77.909  6.6980  74.902  4.0978  3.006256       7.852064  
1 1 1 -12 40  25 o 99.901  3.0489  5450.59    329.902  5504.56    694.203  5434.85    374.946  98.730  6.5287  99.632  3.4745  -0.9018326     7.395659  
1 1 1 -12 40  26 o 80.337  2.8941  3526.79    251.822  3393.78    363.478  3649.56    349.211  78.274  4.3039  81.407  3.9606  -3.132713      5.848911  
1 1 1 -12 40  27 o 24.123  7.5107  339.328    217.242  398.720    437.319  319.870    250.311  27.754  10.542  23.873  8.1079  3.880877       13.29955  
1 1 1 -12 40  28 o 13.547  2.3654  103.131    33.443   100.748    33.751   231.896    248.106  13.376  2.4187  21.405  7.9812  -8.029611      8.339656  
1 1 1 -12 40  29 o 21.656  7.4258  277.204    209.992  374.378    450.819  250.278    237.309  25.987  10.453  21.253  7.8285  4.733686       13.05931  
1 1 1 -12 40  30 o 23.179  8.4764  325.522    277.503  582.307    465.858  184.293    345.487  28.823  10.897  21.371  8.9313  7.452293       14.08954  
1 1 1 -12 40  31 o 21.040  9.7239  -50.7619   520.442  0.0000     0.0000   -50.7619   520.442  ?       ?       21.040  9.7239  0.000000       9.723917  
1 1 1 -12 40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 41  1  o 123.427 2.9655  8254.67    396.446  8227.63    453.461  8342.38    816.658  123.214 3.3979  123.970 6.0821  -0.7563934     6.966908  
1 1 1 -12 41  2  o 316.021 5.0264  54171.35   1720.46  52686.30   2220.35  56402.70   2721.68  311.481 6.5814  322.101 7.8014  -10.61957      10.20674  
1 1 1 -12 41  3  o 230.327 4.3763  28764.84   1091.74  27353.71   1542.47  30181.39   1545.43  224.454 6.3448  235.798 6.0512  -11.34361      8.767736  
1 1 1 -12 41  4  o 224.695 4.5780  27379.00   1114.14  28400.80   1691.03  26595.21   1481.04  228.660 6.8280  221.333 6.1780  7.327454       9.208112  
1 1 1 -12 41  5  o 196.235 3.8684  20874.80   822.200  20241.49   1161.38  21511.14   1164.16  193.134 5.5519  199.111 5.3982  -5.976105      7.743661  
1 1 1 -12 41  6  o 172.052 3.5165  16044.35   655.306  15415.21   925.783  16676.09   927.706  168.568 5.0706  175.338 4.8850  -6.769470      7.040917  
1 1 1 -12 41  7  o 150.447 3.2847  12266.85   535.239  12439.41   756.735  12094.11   757.150  151.446 4.6133  149.326 4.6814  2.120102       6.572567  
1 1 1 -12 41  8  o 98.111  2.7978  5215.78    297.301  5555.41    420.042  4874.84    420.853  101.229 3.8310  94.819  4.0979  6.410370       5.609795  
1 1 1 -12 41  9  o 14.224  5.5626  64.507     124.291  144.319    175.768  -15.3180   175.782  18.339  6.7400  14.477  6.2223  3.862318       9.173096  
1 1 1 -12 41  10 o 267.459 7.9194  38933.88   2294.15  39021.36   2801.79  38755.92   3996.36  267.432 9.6728  265.105 13.967  2.326874       16.98964  
1 1 1 -12 41  11 o 60.355  3.5830  1981.83    233.173  1586.10    317.238  2446.83    343.884  53.767  5.5262  66.983  4.7712  -13.21668      7.300891  
1 1 1 -12 41  12 o 80.087  2.7180  3475.87    235.762  3562.39    374.345  3418.99    303.520  80.922  4.2863  79.410  3.5289  1.512695       5.552107  
1 1 1 -12 41  13 o 26.050  6.3103  383.759    176.163  463.829    232.268  275.323    270.297  28.654  7.4239  23.953  8.4128  4.700928       11.22005  
1 1 1 -12 41  14 o 122.447 3.1390  8129.06    416.299  7902.32    579.754  8370.42    598.148  120.658 4.4363  124.179 4.4472  -3.521461      6.281595  
1 1 1 -12 41  15 o 40.260  4.8841  893.466    208.615  898.476    287.680  887.909    302.966  40.047  6.8803  39.732  7.3096  0.3155594      10.03832  
1 1 1 -12 41  16 o 235.567 4.3942  30148.02   1121.16  28727.86   1583.11  31577.02   1588.03  229.548 6.3675  240.730 6.0906  -11.18250      8.811328  
1 1 1 -12 41  17 o 90.110  3.0845  4406.07    301.044  4255.65    422.359  4561.41    429.205  88.467  4.4079  91.596  4.3263  -3.129761      6.176274  
1 1 1 -12 41  18 o 51.564  2.0476  1441.48    114.355  1509.48    125.942  1122.15    272.935  52.761  2.2039  44.972  5.7337  7.788864       6.142686  
1 1 1 -12 41  19 o 83.434  3.2309  3782.98    291.969  3859.17    448.520  3726.96    384.621  83.932  4.9558  82.592  4.3145  1.339622       6.570798  
1 1 1 -12 41  20 o 213.296 4.1448  24808.56   957.546  24945.76   1368.34  24676.90   1340.44  213.120 5.9279  212.013 5.8373  1.106705       8.319528  
1 1 1 -12 41  21 o 44.617  4.8340  1102.22    229.868  1258.78    389.896  1018.81    284.589  46.927  7.9553  42.527  6.3749  4.399593       10.19439  
1 1 1 -12 41  22 o 90.620  2.8277  4467.35    277.539  4264.94    454.959  4587.33    350.262  88.049  4.7887  91.715  3.5260  -3.665703      5.946774  
1 1 1 -12 41  23 o 93.711  3.1223  4786.17    316.910  4586.93    645.719  4849.38    363.729  90.514  6.6327  94.237  3.5636  -3.723267      7.529434  
1 1 1 -12 41  24 o 66.439  2.7292  2404.37    196.394  2905.20    517.543  2320.12    212.271  71.697  6.7438  65.224  3.0048  6.473213       7.382962  
1 1 1 -12 41  25 o 55.452  2.5321  1675.18    152.079  1639.23    178.845  1769.04    288.998  54.702  3.0304  56.370  4.7784  -1.667324      5.658332  
1 1 1 -12 41  26 o 69.719  3.7010  2679.13    278.474  3127.09    547.796  2523.02    323.375  73.789  6.9356  67.387  4.4557  6.402359       8.243559  
1 1 1 -12 41  27 o 22.314  7.5220  278.024    215.428  445.070    429.538  221.884    249.010  28.405  10.519  21.408  7.9931  6.996887       13.21140  
1 1 1 -12 41  28 o 14.476  6.4839  -63.1711   209.662  -3.2187    424.779  -82.4811   241.074  21.193  9.3761  15.294  6.8929  5.899026       11.63719  
1 1 1 -12 41  29 o 31.486  1.2647  538.885    43.129   549.514    43.741   166.910    258.757  31.794  1.2702  19.728  7.9248  12.06582       8.025977  
1 1 1 -12 41  30 o 23.524  9.3825  306.376    359.960  -127.7311  464.172  961.297    570.131  19.829  9.1708  34.566  12.211  -14.73706      15.27111  
1 1 1 -12 41  31 o 18.285  8.8028  -407.8330  514.994  0.0000     0.0000   -407.8330  514.994  ?       ?       18.285  8.8028  0.000000       8.802786  
1 1 1 -12 41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 42  1  o 191.252 3.8512  19827.57   797.760  19735.20   918.281  20111.81   1610.85  190.776 4.4441  192.338 7.7325  -1.562668      8.918571  
1 1 1 -12 42  2  o 175.684 3.7430  16730.21   712.241  15605.91   959.394  18110.69   1063.09  169.606 5.2226  182.701 5.3723  -13.09538      7.492450  
1 1 1 -12 42  3  o 371.950 6.4337  75124.58   2591.89  72367.86   3664.46  77884.38   3666.51  364.531 9.2812  378.244 8.9497  -13.71298      12.89337  
1 1 1 -12 42  4  o 239.834 4.2914  31188.31   1114.77  29716.96   1575.13  32664.86   1577.91  233.952 6.2161  245.309 5.9388  -11.35690      8.597057  
1 1 1 -12 42  5  o 308.081 5.3221  51499.18   1775.89  50418.25   2510.40  52581.98   2512.56  304.527 7.6111  311.017 7.4587  -6.489868      10.65648  
1 1 1 -12 42  6  o 182.521 3.7526  18058.85   741.848  18086.93   1047.09  18030.54   1051.19  182.575 5.2951  182.288 5.3242  0.2867584      7.508952  
1 1 1 -12 42  7  o 212.792 4.0077  24549.79   923.672  25312.91   1306.02  23786.08   1306.52  215.957 5.5836  209.328 5.7626  6.629547       8.023952  
1 1 1 -12 42  8  o 216.294 4.0195  25365.77   941.644  26103.77   1331.53  24627.43   1331.84  219.294 5.6060  212.988 5.7734  6.306503       8.047297  
1 1 1 -12 42  9  o 151.780 3.3356  12486.53   548.345  13461.65   775.210  11510.06   775.745  157.537 4.5432  145.651 4.9174  11.88615       6.694909  
1 1 1 -12 42  10 o 119.389 4.3607  7731.19    563.886  7169.73    791.381  8310.23    803.672  114.692 6.3961  123.693 5.9988  -9.000771      8.769015  
1 1 1 -12 42  11 o 264.269 5.0154  37905.85   1435.56  36276.83   1895.16  40098.89   2198.91  258.290 6.7743  271.435 7.4795  -13.14481      10.09129  
1 1 1 -12 42  12 o 43.098  4.1040  1016.66    189.260  702.951    248.151  1452.89    292.623  35.371  6.7231  51.452  5.3281  -16.08090      8.578422  
1 1 1 -12 42  13 o 198.982 3.8659  21476.43   833.167  20007.10   1172.47  22975.21   1184.17  191.882 5.6416  205.662 5.3160  -13.78018      7.751602  
1 1 1 -12 42  14 o 70.253  3.2027  2676.16    243.697  2488.76    352.138  2848.41    337.601  67.521  4.8473  72.312  4.3304  -4.790764      6.499914  
1 1 1 -12 42  15 o 106.630 3.0842  6165.93    356.199  6299.29    494.713  6022.37    513.284  107.711 4.2406  105.299 4.5005  2.411491       6.183606  
1 1 1 -12 42  16 o 56.975  3.6373  1769.21    223.284  1809.84    321.641  1731.42    310.211  57.437  5.2275  56.178  5.1558  1.258957       7.342261  
1 1 1 -12 42  17 o 147.901 3.4562  11877.82   553.651  11756.75   753.502  12019.87   816.214  146.974 4.7334  148.555 5.0728  -1.580658      6.938187  
1 1 1 -12 42  18 o 45.455  4.0597  1132.91    197.762  1427.65    280.958  843.476    278.415  50.897  5.1682  38.647  6.9046  12.25023       8.624637  
1 1 1 -12 42  19 o 108.231 3.1747  6366.13    372.161  6339.87    539.023  6390.05    514.466  107.796 4.6167  108.261 4.3875  -0.4646988     6.368997  
1 1 1 -12 42  20 o 126.471 3.2722  8700.92    448.223  8172.56    641.082  9206.20    626.922  122.246 4.8418  129.843 4.4578  -7.596764      6.581448  
1 1 1 -12 42  21 o 15.515  6.4958  26.260     183.230  -17.0962   280.988  58.335     241.684  18.168  7.8381  18.208  7.5278  -0.3993416E-01 10.86753  
1 1 1 -12 42  22 o 66.520  3.3477  2418.04    240.428  2622.92    471.045  2345.86    279.591  68.492  6.4247  65.399  3.9659  3.093773       7.550208  
1 1 1 -12 42  23 o 23.001  6.9304  299.231    186.910  221.225    396.921  321.457    211.871  24.880  9.8747  23.908  7.4129  0.9722691      12.34751  
1 1 1 -12 42  24 o 59.825  2.4092  1947.27    156.111  2093.94    186.177  1599.94    286.500  61.990  2.7729  53.602  4.9923  8.388691       5.710675  
1 1 1 -12 42  25 o 67.859  3.6905  2533.28    270.226  2922.14    528.887  2395.91    314.355  71.562  6.9095  65.759  4.4396  5.803001       8.212888  
1 1 1 -12 42  26 o 49.070  2.3885  1312.26    126.943  1254.31    472.503  1316.77    131.789  44.985  9.9605  49.079  2.4873  -4.093670      10.26637  
1 1 1 -12 42  27 o 31.812  6.7366  600.301    224.885  660.519    443.172  579.417    260.983  32.470  10.787  30.899  7.7980  1.570541       13.31045  
1 1 1 -12 42  28 o 46.853  4.8601  1251.31    243.044  1311.84    486.862  1231.21    280.494  44.436  10.314  46.024  5.7525  -1.587784      11.81005  
1 1 1 -12 42  29 o 31.271  7.0472  610.895    232.973  367.829    462.793  693.400    269.629  25.821  10.517  32.980  7.6898  -7.159256      13.02816  
1 1 1 -12 42  30 o 28.578  9.8030  571.057    365.976  794.297    472.702  237.005    578.240  32.349  11.139  24.869  10.974  7.479929       15.63654  
1 1 1 -12 42  31 o 27.702  11.534  563.082    573.109  0.0000     0.0000   563.082    573.109  ?       ?       27.702  11.534  0.000000       11.53392  
1 1 1 -12 42  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 43  1  o 168.955 3.4103  15470.90   624.066  15123.16   717.156  16555.59   1266.61  167.022 3.9643  174.585 6.6983  -7.562439      7.783525  
1 1 1 -12 43  2  f 361.941 6.2325  71126.95   2443.26  69840.63   3454.95  72413.80   3455.64  358.173 8.9059  364.745 8.7472  -6.572266      12.48314  
1 1 1 -12 43  3  o 234.946 4.3574  29931.33   1108.84  30097.24   1567.43  29765.12   1568.84  235.448 6.1464  234.142 6.1863  1.306534       8.720600  
1 1 1 -12 43  4  o 174.848 3.5683  16570.40   675.755  17488.96   955.339  15650.60   955.985  179.559 4.9122  169.844 5.1968  9.715698       7.150967  
1 1 1 -12 43  5  o 140.647 3.2410  10720.56   493.723  10815.87   676.864  10612.20   721.757  141.227 4.4250  139.876 4.7641  1.351013       6.502078  
1 1 1 -12 43  6  o 196.702 3.8759  20975.79   825.751  21555.73   1166.62  20393.53   1168.96  199.303 5.4044  193.843 5.5677  5.459518       7.759332  
1 1 1 -12 43  7  o 245.473 4.7684  32686.29   1267.80  31857.59   1930.48  33314.75   1681.14  242.063 7.3632  247.672 6.2670  -5.608536      9.669097  
1 1 1 -12 43  8  o 226.764 4.1886  27884.46   1028.75  28326.89   1455.05  27442.23   1454.70  228.410 5.8816  224.805 5.9744  3.604248       8.383715  
1 1 1 -12 43  9  o 245.776 4.4778  32765.26   1192.01  33793.16   1685.88  31737.66   1685.62  249.414 6.2407  241.685 6.4393  7.728607       8.967241  
1 1 1 -12 43  10 o 190.019 4.3145  19584.96   887.959  19600.53   1085.68  19553.49   1543.26  190.020 5.2751  189.560 7.5166  0.4596100      9.182933  
1 1 1 -12 43  11 o 91.990  2.7919  4586.00    278.172  4038.52    404.100  5079.08    383.496  86.171  4.3437  96.784  3.6584  -10.61259      5.679012  
1 1 1 -12 43  12 o 212.611 4.0268  24519.55   927.287  22928.18   1301.93  26157.98   1321.04  205.413 5.8518  219.440 5.5581  -14.02774      8.070742  
1 1 1 -12 43  13 o 114.569 3.0518  7115.94    378.694  6482.42    523.931  7808.96    547.986  109.287 4.4262  119.961 4.2175  -10.67411      6.113863  
1 1 1 -12 43  14 o 183.723 3.6926  18311.93   734.786  17467.76   1033.36  19175.27   1045.03  179.268 5.3220  187.850 5.1363  -8.581192      7.396302  
1 1 1 -12 43  15 o 185.020 3.9157  18582.52   784.694  17583.44   1049.42  19849.52   1181.78  179.787 5.3892  190.968 5.7135  -11.18114      7.854160  
1 1 1 -12 43  16 o 97.841  2.8285  5192.12    299.745  4935.57    441.669  5411.18    408.121  95.299  4.2790  99.824  3.7747  -4.524780      5.705956  
1 1 1 -12 43  17 o 172.466 3.7803  16162.62   706.154  15700.93   1048.20  16546.27   955.522  169.620 5.7056  174.268 5.0623  -4.647919      7.627627  
1 1 1 -12 43  18 o 133.509 3.2025  9682.57    463.093  9715.28    652.179  9649.31    657.679  133.534 4.5092  133.071 4.5631  0.4638214      6.415241  
1 1 1 -12 43  19 o 85.241  3.2107  3949.86    296.429  3890.09    433.623  4002.30    406.152  84.271  4.7703  85.554  4.3979  -1.282555      6.488296  
1 1 1 -12 43  20 o 126.535 3.3116  8712.04    453.860  8294.68    644.017  9123.84    639.714  123.139 4.8287  129.214 4.5709  -6.075226      6.649049  
1 1 1 -12 43  21 o 7.1620  2.8548  13.911     33.308   6.1973     33.548   546.596    278.781  6.7665  2.8017  30.714  8.2187  -23.94709      8.683130  
1 1 1 -12 43  22 o 9.9548  2.3388  56.010     24.789   54.562     24.937   177.307    228.276  9.8255  2.3705  20.334  7.6410  -10.50815      8.000266  
1 1 1 -12 43  23 o 65.479  2.6935  2333.61    191.026  3009.47    513.815  2225.21    205.776  73.198  6.5502  63.905  2.9729  9.292477       7.193287  
1 1 1 -12 43  24 o 41.049  5.1206  945.827    222.710  752.447    431.706  1015.96    259.975  35.268  10.512  42.358  5.8204  -7.089966      12.01537  
1 1 1 -12 43  25 o 52.946  4.2814  1554.95    243.424  1758.97    477.503  1483.31    282.952  54.668  8.3275  51.434  5.1483  3.233982       9.790373  
1 1 1 -12 43  26 f 8.2946  2.8738  33.857     31.490   30.129     31.753   255.914    245.093  8.0477  2.8775  22.261  7.9908  -14.21343      8.493149  
1 1 1 -12 43  27 o 46.851  4.8134  1238.57    240.783  1549.62    477.316  1132.41    278.865  50.120  9.1291  44.308  5.9623  5.812252       10.90365  
1 1 1 -12 43  28 o 45.572  5.1968  1195.69    251.925  894.208    480.685  1309.86    295.805  35.844  11.174  47.334  5.8978  -11.48986      12.63508  
1 1 1 -12 43  29 o 15.023  6.6725  -30.6615   217.189  450.662    439.178  -186.4864  249.885  26.901  10.474  14.034  6.5701  12.86745       12.36413  
1 1 1 -12 43  30 o 31.297  2.1946  540.075    73.921   531.307    74.520   1079.48    584.496  31.031  2.2321  36.114  12.389  -5.082899      12.58813  
1 1 1 -12 43  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 44  1  o 175.091 3.1889  16613.73   604.748  16423.11   779.629  16901.70   958.216  174.043 4.1358  176.513 5.0121  -2.469925      6.498138  
1 1 1 -12 44  2  o 51.285  2.8539  1429.55    157.894  1412.42    223.959  1446.48    222.639  50.876  4.0991  51.497  4.0236  -0.6207199     5.743825  
1 1 1 -12 44  3  o 211.271 4.2349  24202.16   969.072  23892.56   1463.68  24443.79   1293.07  209.747 6.4429  212.224 5.6255  -2.477066      8.553144  
1 1 1 -12 44  4  o 375.412 7.0206  76584.08   2854.64  76720.32   3745.86  76395.34   4408.82  375.284 9.2155  374.057 10.882  1.227203       14.25999  
1 1 1 -12 44  5  o 215.883 4.2902  25272.02   1003.16  26267.45   1335.87  23984.83   1519.08  219.992 5.6064  210.119 6.6749  9.872925       8.717008  
1 1 1 -12 44  6  o 156.439 3.4401  13264.83   582.890  13694.26   791.812  12756.81   861.214  158.897 4.6008  153.331 5.1858  5.566788       6.932504  
1 1 1 -12 44  7  o 112.561 2.8634  6865.65    349.088  6852.85    494.853  6878.33    492.525  112.422 4.0640  112.631 4.0374  -0.2096558     5.728592  
1 1 1 -12 44  8  o 222.822 4.1911  26924.54   1011.48  26919.03   1429.56  26930.07   1431.34  222.646 5.9281  222.691 5.9343  -0.4499817E-01 8.387980  
1 1 1 -12 44  9  o 391.711 6.6220  83394.80   2809.49  78788.08   3970.06  88016.16   3976.37  379.971 9.6467  401.764 9.1379  -21.79327      13.28754  
1 1 1 -12 44  10 o 401.399 7.8715  87734.84   3422.21  87155.03   4189.65  88897.27   5932.22  399.511 9.6823  401.863 13.629  -2.351349      16.71829  
1 1 1 -12 44  11 o 110.719 3.0124  6644.47    361.246  6330.28    497.927  6993.62    524.898  108.023 4.2558  113.541 4.2682  -5.518196      6.027400  
1 1 1 -12 44  12 o 99.262  3.0074  5340.92    323.329  4911.67    442.920  5830.63    473.081  95.143  4.2981  103.666 4.2134  -8.523033      6.018817  
1 1 1 -12 44  13 o 162.854 3.4720  14383.20   612.424  13537.57   856.204  15269.08   876.345  157.872 5.0073  167.683 4.8252  -9.810257      6.953809  
1 1 1 -12 44  14 o 92.571  3.0550  4646.73    306.306  4252.10    420.780  5091.56    446.749  88.493  4.3901  96.842  4.2592  -8.349609      6.116710  
1 1 1 -12 44  15 o 149.124 3.3531  12065.44   541.584  12215.48   759.571  11910.29   772.422  149.918 4.6778  148.017 4.8181  1.900864       6.715357  
1 1 1 -12 44  16 o 260.607 4.7347  36949.30   1336.43  34878.66   1886.73  39034.37   1893.28  252.550 6.8975  267.303 6.5395  -14.75293      9.504740  
1 1 1 -12 44  17 o 96.969  3.1237  5104.79    328.070  4337.74    465.929  5859.01    462.019  89.103  4.8461  103.792 4.1099  -14.68902      6.354196  
1 1 1 -12 44  18 o 99.834  3.0819  5413.81    333.248  5468.77    475.516  5360.77    467.162  100.187 4.3821  99.197  4.3481  0.9896317      6.173249  
1 1 1 -12 44  19 o 162.809 3.6658  14428.59   646.432  13858.15   966.190  14890.87   869.778  159.013 5.6099  165.076 4.8647  -6.062164      7.425412  
1 1 1 -12 44  20 f 70.782  2.8188  2722.83    216.103  3206.61    408.110  2534.33    254.749  76.376  4.9603  68.140  3.4631  8.235611       6.049613  
1 1 1 -12 44  21 o 125.162 3.2871  8531.88    445.606  8262.96    634.791  8793.13    625.673  122.789 4.7731  126.733 4.5581  -3.944038      6.599916  
1 1 1 -12 44  22 o 54.674  3.8381  1641.24    225.843  1296.04    422.042  1779.76    267.340  47.230  8.5657  56.832  4.3768  -9.602039      9.619126  
1 1 1 -12 44  23 o 99.315  3.2218  5381.62    346.564  5024.76    677.547  5508.07    403.316  94.611  6.6543  100.353 3.7106  -5.741676      7.618934  
1 1 1 -12 44  24 f 45.880  4.7243  1173.42    231.409  1041.17    449.484  1221.11    269.931  41.299  10.126  46.599  5.4512  -5.300556      11.50036  
1 1 1 -12 44  25 o 78.678  2.8560  3380.08    243.379  3355.94    345.444  3403.88    342.950  77.954  4.1058  78.533  4.0457  -0.5783920     5.764137  
1 1 1 -12 44  26 o 49.594  4.5768  1374.74    243.072  1081.27    472.585  1480.31    283.438  41.368  10.523  51.262  5.1759  -9.893578      11.72664  
1 1 1 -12 44  27 o 13.404  6.1825  -139.8138  208.820  23.789     411.022  -196.7343  242.440  21.473  9.3702  13.961  6.5149  7.512444       11.41245  
1 1 1 -12 44  28 o 58.604  3.9056  1925.36    246.482  2505.32    534.125  1768.44    277.833  63.780  7.9011  55.765  4.6421  8.014633       9.163835  
1 1 1 -12 44  29 o 21.858  8.5194  250.365    290.792  -11.4243   466.452  416.786    371.907  21.186  9.5647  25.856  9.7458  -4.669590      13.65518  
1 1 1 -12 44  30 o 16.113  2.2852  145.378    38.764   144.103    38.859   406.478    556.085  16.037  2.3033  26.393  11.197  -10.35642      11.43156  
1 1 1 -12 44  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 44  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 45  1  o 233.646 4.4022  29603.50   1114.03  28592.14   1574.91  30616.31   1576.04  229.455 6.3370  237.460 6.1278  -8.004669      8.815231  
1 1 1 -12 45  2  o 163.707 3.5680  14526.39   632.645  14788.91   857.370  14212.59   937.361  165.121 4.7940  161.840 5.3475  3.280869       7.181792  
1 1 1 -12 45  3  o 230.565 4.6603  28832.81   1163.80  28111.61   1544.90  29779.10   1769.63  227.523 6.2691  234.097 6.9794  -6.573929      9.381521  
1 1 1 -12 45  4  o 234.372 4.2241  29785.09   1072.29  29833.28   1515.74  29736.82   1517.15  234.413 5.9700  234.033 5.9852  0.3807831      8.453618  
1 1 1 -12 45  5  o 104.103 2.7979  5872.34    315.478  6059.20    441.879  5678.08    450.556  105.719 3.8590  102.334 4.0650  3.384850       5.605004  
1 1 1 -12 45  6  o 177.161 3.9399  17016.51   755.992  16854.48   1068.93  17178.66   1069.33  176.212 5.6007  177.903 5.5496  -1.690338      7.884551  
1 1 1 -12 45  7  o 91.063  2.7916  4493.50    275.341  4516.11    388.920  4470.77    389.864  91.265  3.9345  90.805  3.9640  0.4601364      5.585090  
1 1 1 -12 45  8  o 160.450 3.3923  13954.70   589.526  14172.39   833.091  13736.34   834.342  161.624 4.7590  159.113 4.8414  2.510849       6.788731  
1 1 1 -12 45  9  o 232.505 4.9838  29337.72   1255.06  28233.48   2172.25  29891.04   1537.68  227.574 8.8128  234.569 6.0524  -6.994705      10.69099  
1 1 1 -12 45  10 o 228.039 4.9235  28224.74   1216.06  27283.48   1487.91  30118.37   2110.42  224.067 6.1310  235.085 8.2885  -11.01743      10.30958  
1 1 1 -12 45  11 o 202.411 3.9114  22220.76   857.499  21086.80   1206.23  23379.31   1219.24  197.018 5.6527  207.477 5.4256  -10.45895      7.835210  
1 1 1 -12 45  12 o 125.266 3.1383  8507.08    425.798  7994.75    594.653  9046.16    609.978  121.365 4.5238  129.109 4.3620  -7.744293      6.284249  
1 1 1 -12 45  13 o 149.698 3.3999  12153.36   551.258  11255.43   741.664  13261.76   824.016  143.962 4.7565  156.257 4.8689  -12.29453      6.806627  
1 1 1 -12 45  14 o 161.838 3.4368  14208.63   602.423  13001.95   844.500  15458.88   859.611  154.659 5.0414  168.680 4.7051  -14.02126      6.895931  
1 1 1 -12 45  15 o 55.321  3.6232  1668.32    215.896  1767.31    292.348  1549.56    320.196  56.810  4.7960  53.044  5.6607  3.765888       7.419235  
1 1 1 -12 45  16 o 72.420  3.3018  2847.06    258.992  3062.24    363.222  2624.51    369.396  74.897  4.4984  69.254  4.9575  5.643333       6.694145  
1 1 1 -12 45  17 o 162.240 3.4763  14301.50   610.866  14313.81   861.000  14289.03   866.819  162.046 4.9056  161.898 4.9433  0.1484680      6.964291  
1 1 1 -12 45  18 o 62.573  3.4900  2135.62    235.583  2300.76    346.369  1993.45    321.365  64.724  4.9790  60.221  4.9714  4.502972       7.036030  
1 1 1 -12 45  19 o 133.356 3.2741  9672.16    472.908  9633.33    674.081  9709.80    663.626  132.791 4.6868  133.340 4.5951  -0.5485382     6.563573  
1 1 1 -12 45  20 f 57.489  3.8363  1809.76    237.500  1467.31    346.080  2114.61    326.523  51.203  6.3787  61.958  4.9058  -10.75527      8.047042  
1 1 1 -12 45  21 o 85.132  3.3460  3949.05    308.526  3602.51    443.553  4273.88    429.431  80.833  5.0923  88.232  4.5087  -7.399765      6.801450  
1 1 1 -12 45  22 o 70.172  3.4255  2686.40    260.352  2778.58    487.136  2649.55    308.037  70.436  6.4573  69.458  4.1129  0.9772949      7.655876  
1 1 1 -12 45  23 o 71.660  3.5114  2806.55    272.535  2749.08    541.721  2826.02    315.350  69.542  7.3011  71.682  4.0786  -2.140656      8.363098  
1 1 1 -12 45  24 o 39.702  5.3815  890.027    225.446  893.832    447.687  888.734    260.948  38.145  10.503  39.376  6.3333  -1.230911      12.26467  
1 1 1 -12 45  25 o 131.834 3.3539  9522.71    478.900  9087.21    951.846  9670.31    554.147  126.197 6.9911  132.604 3.8583  -6.406830      7.985157  
1 1 1 -12 45  26 o 52.995  4.4033  1566.04    250.456  1866.00    498.899  1464.97    289.592  55.861  8.5151  50.905  5.3315  4.956272       10.04643  
1 1 1 -12 45  27 o 28.453  1.3688  439.698    42.184   446.194    42.773   208.470    255.191  28.662  1.3778  21.048  8.0393  7.613810       8.156554  
1 1 1 -12 45  28 o 25.722  7.6381  414.286    228.257  345.317    481.828  434.243    259.186  26.052  10.684  26.212  8.2107  -0.1605663     13.47483  
1 1 1 -12 45  29 o 36.840  7.5720  859.785    292.036  410.568    504.622  1086.00    358.096  26.645  10.932  40.899  8.3658  -14.25488      13.76539  
1 1 1 -12 45  30 o 40.042  9.3083  1111.90    396.032  917.924    527.833  1361.74    599.049  33.762  11.762  40.473  12.451  -6.710850      17.12793  
1 1 1 -12 45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 45  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 46  1  o 44.102  2.1124  1053.66    100.902  1108.92    200.272  1034.87    116.811  45.033  4.1528  43.634  2.4819  1.398903       4.837939  
1 1 1 -12 46  2  o 133.004 3.0201  9586.25    435.066  9711.43    614.263  9460.25    616.295  133.827 4.2378  132.082 4.3080  1.744797       6.042980  
1 1 1 -12 46  3  o 230.456 4.2348  28798.68   1057.05  28739.40   1493.95  28858.11   1495.84  230.070 5.9952  230.546 5.9904  -0.4751282     8.475129  
1 1 1 -12 46  4  o 112.215 2.9251  6823.58    355.518  6452.95    500.361  7201.46    505.232  109.088 4.2348  115.248 4.0475  -6.159782      5.857996  
1 1 1 -12 46  5  o 149.711 3.2324  12147.30   524.137  12227.70   739.977  12066.36   742.512  150.149 4.5502  149.153 4.5962  0.9962158      6.467562  
1 1 1 -12 46  6  o 73.859  2.4861  2955.63    198.877  3039.84    309.930  2896.69    259.303  74.781  3.8394  73.106  3.2748  1.675133       5.046336  
1 1 1 -12 46  7  o 222.269 4.4531  26796.57   1072.05  27685.27   1625.52  26112.48   1426.17  225.707 6.6493  219.273 6.0051  6.434311       8.959569  
1 1 1 -12 46  8  o 118.979 2.9501  7671.83    380.170  7967.90    539.265  7379.30    536.032  121.212 4.1076  116.644 4.2429  4.568474       5.905437  
1 1 1 -12 46  9  o 250.323 5.2881  34019.41   1433.74  33220.95   2477.94  34421.25   1757.88  246.729 9.2725  251.644 6.4496  -4.914337      11.29502  
1 1 1 -12 46  10 o 238.376 5.0904  30847.90   1314.27  31175.27   1607.73  30188.48   2281.82  239.496 6.1979  235.213 8.9568  4.283340       10.89210  
1 1 1 -12 46  11 o 156.208 3.3471  13229.58   566.289  12499.61   787.860  14009.78   814.513  151.745 4.7936  160.659 4.6808  -8.914185      6.699929  
1 1 1 -12 46  12 o 102.127 3.0359  5654.36    335.812  5769.57    461.575  5524.80    489.471  103.115 4.1329  100.887 4.4794  2.228432       6.094738  
1 1 1 -12 46  13 o 117.676 3.1292  7508.94    398.833  7386.00    557.527  7637.80    570.776  116.633 4.4134  118.603 4.4432  -1.969437      6.262619  
1 1 1 -12 46  14 o 148.875 3.3150  12023.57   534.541  11213.28   747.544  12871.39   764.656  143.635 4.8052  153.913 4.5869  -10.27840      6.642981  
1 1 1 -12 46  15 o 193.376 3.7995  20307.18   795.789  18829.24   1119.86  21814.81   1131.05  185.912 5.5614  200.180 5.2166  -14.26822      7.625145  
1 1 1 -12 46  16 o 71.846  3.2082  2802.12    249.649  2709.84    342.457  2906.77    364.707  70.428  4.5132  72.934  4.6409  -2.506531      6.473583  
1 1 1 -12 46  17 o 113.908 3.1129  7046.40    384.046  6590.06    536.347  7526.56    550.162  109.989 4.5022  117.572 4.3203  -7.582886      6.239824  
1 1 1 -12 46  18 o 24.270  6.7087  333.933    182.240  615.092    284.409  138.081    237.372  32.693  8.0786  19.807  7.7036  12.88558       11.16285  
1 1 1 -12 46  19 o 101.279 3.2208  5578.90    353.306  5359.63    515.529  5773.08    485.153  99.008  4.8074  102.844 4.3554  -3.835678      6.486989  
1 1 1 -12 46  20 f 68.924  3.3086  2586.18    246.992  2513.21    342.298  2665.43    356.748  67.606  4.7039  69.621  4.7595  -2.014351      6.691789  
1 1 1 -12 46  21 o 91.660  3.2234  4576.78    320.010  4832.08    464.700  4346.52    441.329  93.903  4.5690  88.940  4.5971  4.963257       6.481451  
1 1 1 -12 46  22 o 65.064  3.4075  2316.11    239.299  2408.78    464.648  2282.66    279.169  65.450  6.6468  64.464  4.0183  0.9860229      7.767062  
1 1 1 -12 46  23 o 72.924  3.4845  2906.93    275.223  2814.08    558.448  2936.71    316.304  70.254  7.4529  73.081  4.0114  -2.827332      8.463854  
1 1 1 -12 46  24 f 44.248  4.8920  1095.57    230.529  1142.38    470.014  1080.75    264.533  43.163  10.213  43.689  5.7284  -0.5250626     11.70983  
1 1 1 -12 46  25 o 24.510  7.5113  348.353    218.258  618.992    447.786  264.022    249.960  32.177  10.845  22.589  8.0739  9.587915       13.52022  
1 1 1 -12 46  26 o 64.237  2.6677  2254.46    185.608  2262.69    232.254  2239.91    308.771  64.106  3.3567  63.358  4.5294  0.7480850      5.637618  
1 1 1 -12 46  27 o 20.801  7.5981  225.585    222.883  19.524     459.102  289.126    254.941  22.218  9.7929  22.844  8.1551  -0.6252155     12.74385  
1 1 1 -12 46  28 o 16.542  7.0583  42.994     223.249  -292.3615  468.218  141.668    253.978  18.898  8.8937  19.197  7.8017  -0.2989979     11.83063  
1 1 1 -12 46  29 o 24.121  1.2015  316.229    31.389   321.419    31.528   -269.5772  334.974  24.318  1.1970  15.708  7.4320  8.609806       7.527790  
1 1 1 -12 46  30 o 19.327  8.6404  21.699     370.435  483.974    492.824  -578.6990  561.644  26.819  10.879  18.254  8.8835  8.564512       14.04526  
1 1 1 -12 46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 46  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 47  1  o 348.819 6.0189  66066.33   2273.99  62604.56   3215.37  69530.41   3216.45  339.062 8.7555  357.424 8.3085  -18.36142      12.07023  
1 1 1 -12 47  2  o 253.639 4.5103  34891.05   1239.05  35007.93   1751.69  34774.02   1752.87  253.878 6.3703  253.025 6.3961  0.8526154      9.027269  
1 1 1 -12 47  3  o 277.471 4.9502  41768.67   1487.68  41686.95   2103.25  41850.49   2104.53  276.951 7.0116  277.495 7.0021  -0.5440369     9.909242  
1 1 1 -12 47  4  o 201.240 4.0732  21958.47   887.802  21700.53   1336.60  22162.13   1187.64  199.895 6.1735  202.074 5.4263  -2.179703      8.219278  
1 1 1 -12 47  5  o 180.443 3.6552  17650.72   714.373  16718.11   1008.19  18591.08   1012.37  175.512 5.3035  185.102 5.0496  -9.589142      7.322993  
1 1 1 -12 47  6  o 223.365 4.2415  27057.36   1026.14  27024.89   1449.52  27089.98   1452.84  223.073 5.9994  223.341 6.0059  -0.2677917     8.489040  
1 1 1 -12 47  7  o 226.452 4.2883  27813.16   1051.79  28675.11   1486.51  26949.01   1488.41  229.771 5.9732  222.726 6.1699  7.044739       8.587599  
1 1 1 -12 47  8  o 251.681 4.6218  34367.71   1259.90  34855.98   1780.93  33878.54   1782.59  253.234 6.4932  249.644 6.5927  3.589981       9.253337  
1 1 1 -12 47  9  o 91.677  3.4000  4556.40    337.608  4622.04    585.440  4523.69    413.243  92.049  5.9032  91.323  4.1779  0.7264328      7.232068  
1 1 1 -12 47  10 f 103.704 3.4918  5831.11    392.204  6004.02    479.897  5483.32    680.601  105.202 4.2117  100.233 6.3012  4.968590       7.579172  
1 1 1 -12 47  11 o 98.119  3.0359  5218.97    322.630  4578.74    446.599  5917.81    466.593  91.849  4.4893  104.437 4.1249  -12.58849      6.096561  
1 1 1 -12 47  12 o 133.461 3.1743  9657.92    458.847  9153.09    638.013  10198.76   660.380  129.842 4.5367  137.065 4.4483  -7.222870      6.353693  
1 1 1 -12 47  13 o 130.129 3.1788  9183.51    448.033  9172.69    623.318  9195.08    644.439  129.964 4.4281  130.111 4.5730  -0.1464844     6.365523  
1 1 1 -12 47  14 o 190.664 3.7836  19734.70   781.355  18631.00   1098.78  20863.75   1111.33  185.010 5.4834  195.826 5.2397  -10.81537      7.584271  
1 1 1 -12 47  15 f 76.886  3.1398  3207.91    261.469  2924.16    356.983  3536.32    384.042  73.189  4.5255  80.526  4.4202  -7.337021      6.326003  
1 1 1 -12 47  16 o 112.145 3.1132  6827.47    378.138  6658.48    531.993  7000.02    537.586  110.609 4.4406  113.418 4.3762  -2.809425      6.234604  
1 1 1 -12 47  17 o 144.432 3.3151  11335.62   518.599  10648.89   720.517  12073.80   747.019  139.738 4.7606  148.820 4.6345  -9.082748      6.643905  
1 1 1 -12 47  18 o 115.794 3.1466  7287.82    394.635  6729.15    561.208  7834.29    555.040  111.024 4.6670  119.871 4.2750  -8.847572      6.329029  
1 1 1 -12 47  19 o 75.369  3.3148  3090.72    270.597  2843.55    387.932  3324.95    377.639  71.907  5.0123  77.893  4.4953  -5.986031      6.732802  
1 1 1 -12 47  20 o 57.474  3.8619  1810.18    239.012  1563.87    348.464  2029.01    328.449  52.892  6.2003  60.624  5.0480  -7.731251      7.995412  
1 1 1 -12 47  21 o 122.038 3.2482  8115.04    429.349  8005.95    627.925  8210.82    588.384  120.779 4.8001  122.432 4.4371  -1.653702      6.536681  
1 1 1 -12 47  22 o 75.146  4.0003  3099.55    324.415  2844.01    511.683  3271.31    419.509  71.104  6.7239  76.901  5.0650  -5.796371      8.418116  
1 1 1 -12 47  23 o 22.255  7.3530  270.199    206.021  356.847    422.498  243.169    235.978  27.475  10.380  22.004  7.8469  5.470781       13.01217  
1 1 1 -12 47  24 o 53.202  4.2193  1567.57    241.132  2001.02    495.340  1432.96    276.049  58.611  8.0128  50.588  5.1081  8.023060       9.502510  
1 1 1 -12 47  25 o 29.473  6.9921  513.497    219.836  451.882    452.305  532.555    251.546  29.096  10.790  29.862  7.7205  -0.7662868     13.26800  
1 1 1 -12 47  26 f 16.122  2.3118  144.561    39.212   631.219    451.924  140.869    39.360   31.986  10.894  15.902  2.3565  16.08362       11.14614  
1 1 1 -12 47  27 o 43.570  5.3087  1092.32    245.343  911.873    503.370  1148.55    280.977  36.372  11.450  44.342  6.0049  -7.969616      12.92949  
1 1 1 -12 47  28 o 53.096  4.5958  1610.54    261.692  1707.22    534.339  1580.03    300.153  50.039  10.205  52.084  5.3992  -2.044788      11.54525  
1 1 1 -12 47  29 o 20.584  8.8864  109.613    361.680  105.343    476.778  115.402    555.094  22.431  9.9283  23.616  10.566  -1.185301      14.49883  
1 1 1 -12 47  30 o 22.994  9.4469  283.422    377.500  21.847     503.437  619.418    570.576  21.521  9.8029  28.762  11.692  -7.241188      15.25757  
1 1 1 -12 47  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 48  1  o 425.134 7.4504  98285.87   3430.62  101806.60  4852.19  94766.71   4851.09  431.844 10.374  416.522 10.753  15.32214       14.94138  
1 1 1 -12 48  2  o 333.959 5.9252  60557.36   2143.21  58947.83   3030.62  62167.60   3031.29  329.033 8.5040  337.947 8.2815  -8.913574      11.87017  
1 1 1 -12 48  3  o 230.659 4.3098  28853.12   1076.70  28189.04   1522.12  29518.18   1523.25  227.822 6.1685  233.146 6.0322  -5.323807      8.627753  
1 1 1 -12 48  4  o 251.906 4.5737  34420.29   1247.88  33954.73   1763.66  34887.02   1765.88  249.990 6.5136  253.409 6.4338  -3.418777      9.155383  
1 1 1 -12 48  5  o 67.323  2.3718  2455.58    172.945  2320.30    215.807  2698.41    289.134  65.432  3.0451  70.446  3.8035  -5.013252      4.872316  
1 1 1 -12 48  6  o 232.641 4.3027  29354.38   1084.16  28448.11   1531.21  30265.49   1535.28  228.838 6.1778  236.055 6.0049  -7.216751      8.615354  
1 1 1 -12 48  7  o 41.058  3.4581  920.330    152.349  1090.13    209.720  730.605    221.686  44.614  4.3973  36.221  5.8501  8.392593       7.318484  
1 1 1 -12 48  8  o 113.162 2.9487  6940.37    361.412  7500.30    511.845  6383.63    510.385  117.599 4.0185  108.479 4.3439  9.120216       5.917626  
1 1 1 -12 48  9  o 55.995  3.7454  1707.88    225.843  2071.37    404.575  1543.34    272.201  61.430  6.1637  53.112  4.7831  8.317699       7.801901  
1 1 1 -12 48  10 o 85.338  2.9057  3947.40    268.572  4115.30    376.817  3774.03    382.893  87.100  3.9943  83.293  4.2585  3.807373       5.838577  
1 1 1 -12 48  11 o 99.158  2.9180  5329.98    313.386  5385.90    440.949  5272.90    445.475  99.630  4.0863  98.576  4.1724  1.054726       5.840054  
1 1 1 -12 48  12 o 158.262 3.4375  13585.19   589.237  13552.69   826.558  13618.77   840.224  157.954 4.8314  158.332 4.8996  -0.3777313     6.880984  
1 1 1 -12 48  13 o 95.462  3.0208  4942.07    312.333  4829.74    437.341  5058.99    446.204  94.305  4.2817  96.518  4.2683  -2.213081      6.045760  
1 1 1 -12 48  14 o 265.353 5.0568  38311.03   1453.35  36397.52   1916.62  40899.88   2229.33  258.136 6.8552  273.395 7.5286  -15.25909      10.18198  
1 1 1 -12 48  15 o 211.082 4.0590  24217.12   927.995  22448.55   1310.03  25998.42   1314.74  202.802 5.9640  218.361 5.5590  -15.55847      8.153036  
1 1 1 -12 48  16 o 41.456  4.3050  945.318    190.478  1038.22    257.367  832.797    283.242  43.245  5.6281  38.369  7.0763  4.876148       9.041551  
1 1 1 -12 48  17 o 68.069  2.7046  2515.30    199.399  2744.78    363.057  2416.17    238.607  70.771  4.7641  66.675  3.3041  4.096260       5.797747  
1 1 1 -12 48  18 o 94.048  3.1639  4808.68    322.289  4731.00    455.338  4886.67    456.234  93.099  4.5156  94.629  4.4514  -1.529755      6.340783  
1 1 1 -12 48  19 o 81.034  3.2561  3572.77    285.778  3428.14    409.698  3709.82    398.823  79.017  4.8100  82.281  4.4922  -3.263634      6.581471  
1 1 1 -12 48  20 o 205.851 4.0282  23142.83   898.125  23078.35   1275.00  23206.35   1265.34  204.671 5.7515  205.274 5.6912  -0.6032410     8.091329  
1 1 1 -12 48  21 o 94.175  3.0255  4829.31    308.606  4864.40    417.118  4786.88    458.709  94.305  4.0837  93.444  4.5323  0.8615494      6.100670  
1 1 1 -12 48  22 o 78.500  3.7301  3369.76    317.147  3654.36    527.694  3208.82    396.809  80.898  6.0667  76.208  4.8324  4.689888       7.756096  
1 1 1 -12 48  23 o 54.002  4.1421  1610.77    240.420  2120.98    489.008  1448.13    276.093  60.738  7.5998  50.933  5.0723  9.804592       9.136957  
1 1 1 -12 48  24 o 35.654  5.9201  728.691    220.600  624.084    454.415  760.945    252.328  32.473  10.925  36.202  6.6814  -3.728706      12.80597  
1 1 1 -12 48  25 o 40.428  5.3857  927.532    229.959  1069.85    468.558  882.375    263.931  41.285  10.465  39.033  6.4695  2.252239       12.30304  
1 1 1 -12 48  26 o 13.794  6.3088  -120.2264  211.206  195.690    432.967  -218.8770  241.946  24.321  10.067  13.719  6.4363  10.60165       11.94874  
1 1 1 -12 48  27 o 22.393  7.7124  289.780    226.633  645.624    465.659  179.329    259.432  31.244  11.036  20.290  8.0053  10.95419       13.63340  
1 1 1 -12 48  28 o 14.272  6.5071  -95.6505   222.495  -23.7019   458.415  -117.8226  254.479  21.072  9.5005  15.044  6.8969  6.027826       11.73991  
1 1 1 -12 48  29 o 33.020  9.9022  773.195    382.238  356.520    508.521  1314.40    579.550  25.718  10.798  40.711  12.189  -14.99349      16.28406  
1 1 1 -12 48  30 f 30.981  10.093  713.015    388.702  760.014    517.216  652.021    589.209  30.818  11.517  29.076  11.857  1.741951       16.52978  
1 1 1 -12 48  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 49  1  o 223.068 3.9511  26979.90   954.605  27130.93   1349.81  26828.78   1350.22  223.558 5.5746  222.307 5.6077  1.251495       7.907079  
1 1 1 -12 49  2  o 41.679  3.0525  946.460    136.837  752.941    195.073  1133.93    191.997  36.916  5.0081  45.563  3.9290  -8.647076      6.365397  
1 1 1 -12 49  3  o 140.138 3.2506  10644.12   493.384  9738.00    696.278  11557.94   699.233  133.975 4.7983  145.978 4.4225  -12.00323      6.525497  
1 1 1 -12 49  4  o 125.815 3.0217  8578.73    411.775  8336.93    573.087  8836.80    592.053  123.984 4.2676  127.646 4.2823  -3.662193      6.045732  
1 1 1 -12 49  5  o 145.375 3.2022  11454.69   504.200  10697.90   710.734  12221.42   715.381  140.423 4.6730  150.105 4.4002  -9.681656      6.418635  
1 1 1 -12 49  6  o 107.242 2.8456  6232.61    330.525  6088.64    459.533  6386.92    475.756  105.960 4.0041  108.523 4.0476  -2.562775      5.693463  
1 1 1 -12 49  7  f 50.059  3.1559  1363.69    170.236  1384.97    234.266  1339.88    247.805  50.343  4.3387  49.473  4.6802  0.8701019      6.381933  
1 1 1 -12 49  8  o 156.443 3.2402  13267.15   549.039  12295.60   772.885  14256.87   780.082  150.523 4.7407  162.104 4.4430  -11.58150      6.497266  
1 1 1 -12 49  9  o 264.740 5.5447  38072.64   1589.90  37692.03   2754.36  38262.84   1947.02  262.589 9.6844  265.199 6.7784  -2.610535      11.82096  
1 1 1 -12 49  10 o 186.319 3.7181  18828.57   750.326  18858.75   1057.55  18797.98   1064.73  186.328 5.2402  186.023 5.2845  0.3052216      7.442168  
1 1 1 -12 49  11 o 156.278 3.3889  13244.80   573.621  12539.00   811.625  13949.21   810.821  151.938 4.9320  160.279 4.6707  -8.340805      6.792598  
1 1 1 -12 49  12 f 108.131 2.9432  6339.64    344.695  6273.99    489.590  6404.17    485.381  107.501 4.2048  108.616 4.1259  -1.114494      5.890985  
1 1 1 -12 49  13 o 156.479 3.3695  13285.11   571.074  12607.74   803.919  13975.09   811.374  152.283 4.8741  160.353 4.6717  -8.070648      6.751378  
1 1 1 -12 49  14 o 47.538  3.9061  1235.78    199.341  1200.40    262.492  1283.99    306.394  46.657  5.2877  48.155  6.0049  -1.498280      8.001151  
1 1 1 -12 49  15 o 113.409 2.9630  6979.81    363.955  6971.81    516.344  6987.71    513.092  113.224 4.2105  113.356 4.1791  -0.1325455     5.932361  
1 1 1 -12 49  16 o 77.312  2.7535  3244.05    230.571  3565.34    374.616  3048.11    292.548  80.811  4.2955  74.882  3.6070  5.928787       5.609060  
1 1 1 -12 49  17 o 109.354 3.1267  6498.01    370.332  6416.16    529.145  6576.59    518.475  108.465 4.5042  109.838 4.3582  -1.372154      6.267474  
1 1 1 -12 49  18 o 70.990  3.4210  2742.09    263.036  2575.24    366.422  2919.49    377.818  68.441  4.9771  72.929  4.8102  -4.487305      6.921632  
1 1 1 -12 49  19 o 81.458  3.2510  3610.97    286.830  3200.52    409.560  4006.05    401.827  76.281  4.9845  85.526  4.3522  -9.244537      6.617205  
1 1 1 -12 49  20 o 20.011  1.3818  218.123    29.766   219.534    29.954   106.768    266.113  20.076  1.3861  19.848  8.0141  0.2281990      8.133096  
1 1 1 -12 49  21 o 50.154  4.3252  1387.86    232.656  1284.75    350.118  1469.39    311.337  47.526  7.0123  51.279  5.7022  -3.752365      9.038089  
1 1 1 -12 49  22 o 70.645  3.5658  2734.49    271.960  2617.91    400.115  2834.61    370.778  68.594  5.4299  71.594  4.8095  -2.999832      7.253617  
1 1 1 -12 49  23 o 100.512 3.0063  5513.38    327.279  5429.55    564.732  5555.78    401.593  98.822  5.2954  100.706 3.6818  -1.883690      6.449596  
1 1 1 -12 49  24 o 23.256  1.3993  294.532    35.084   409.956    50.286   185.055    48.973   27.422  1.7015  18.254  2.5464  9.167877       3.062548  
1 1 1 -12 49  25 o ?       ?       -135.7310  33.854   -146.4548  34.200   387.180    238.814  ?       ?       25.684  7.8547  0.000000       7.854745  
1 1 1 -12 49  26 o ?       ?       -287.9087  38.712   -289.2893  39.241   -237.7368  236.556  ?       ?       13.286  6.2736  0.000000       6.273573  
1 1 1 -12 49  27 o 45.014  5.1883  1168.66    248.325  1121.23    504.003  1183.86    285.367  39.943  11.198  44.849  6.0272  -4.906200      12.71737  
1 1 1 -12 49  28 o 18.325  7.4126  130.071    228.106  -95.3317   473.214  198.299    260.350  20.602  9.4301  20.400  8.0288  0.2016697      12.38497  
1 1 1 -12 49  29 o 19.810  8.7341  51.460     365.490  203.234    484.564  -148.8441  556.668  23.530  10.222  21.231  9.8955  2.298576       14.22697  
1 1 1 -12 49  30 o 38.907  12.724  1333.67    617.504  0.0000     0.0000   1333.67    617.504  ?       ?       38.907  12.724  0.000000       12.72392  
1 1 1 -12 49  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 50  1  o 109.623 2.7707  6512.04    328.979  6899.23    464.654  6122.88    465.841  112.804 3.8031  106.260 4.0476  6.544395       5.553941  
1 1 1 -12 50  2  o 269.259 4.9308  39340.01   1437.99  39273.30   2033.53  39406.73   2033.71  268.764 6.9857  269.222 6.9744  -0.4578552     9.871288  
1 1 1 -12 50  3  o 161.261 3.4281  14096.59   598.762  13831.22   845.348  14363.76   848.215  159.656 4.8885  162.706 4.8132  -3.049438      6.860368  
1 1 1 -12 50  4  o 202.765 3.9298  22293.92   863.037  23008.24   1219.77  21577.86   1221.26  205.864 5.4705  199.345 5.6563  6.518921       7.868976  
1 1 1 -12 50  5  o 109.811 2.8837  6534.91    342.980  6253.13    487.358  6811.40    482.768  107.374 4.1906  112.073 3.9771  -4.699081      5.777422  
1 1 1 -12 50  6  o 107.593 2.8789  6273.81    335.497  6057.83    469.789  6498.61    479.282  105.685 4.1041  109.465 4.0425  -3.779877      5.760668  
1 1 1 -12 50  7  o 135.954 3.1956  10019.17   470.557  9779.55    648.474  10285.65   683.874  134.259 4.4594  137.682 4.5859  -3.422974      6.396671  
1 1 1 -12 50  8  f 343.493 6.0768  64126.21   2260.79  65516.76   3196.43  62734.26   3198.05  346.599 8.5147  339.104 8.7073  7.494324       12.17852  
1 1 1 -12 50  9  o 72.733  4.3045  2880.51    337.586  2727.99    482.106  3027.25    472.866  70.537  6.3794  74.394  5.9174  -3.857811      8.701326  
1 1 1 -12 50  10 o 119.625 3.0651  7758.12    397.128  7514.94    558.772  8006.32    564.520  117.668 4.3844  121.459 4.2912  -3.791824      6.134904  
1 1 1 -12 50  11 o 105.340 2.9650  6016.31    338.296  5763.85    476.378  6273.15    480.495  103.043 4.2684  107.507 4.1265  -4.464554      5.936912  
1 1 1 -12 50  12 o 65.299  2.5072  2311.37    177.327  2422.66    305.965  2255.08    217.600  66.658  4.2601  64.483  3.1156  2.175804       5.277852  
1 1 1 -12 50  13 o 93.620  2.9851  4754.14    302.690  4872.73    422.099  4628.60    434.299  94.713  4.1147  92.293  4.3446  2.419212       5.983819  
1 1 1 -12 50  14 o 51.053  3.5405  1422.02    194.563  1477.47    268.453  1360.68    282.383  51.882  4.8329  49.695  5.3295  2.186447       7.194473  
1 1 1 -12 50  15 o 103.430 2.9885  5806.73    334.793  5598.00    470.517  6020.79    476.478  101.431 4.2829  105.203 4.1816  -3.772232      5.985713  
1 1 1 -12 50  16 o 45.329  3.9095  1126.22    190.065  1298.35    261.919  934.761    276.236  48.514  5.0590  40.800  6.4666  7.713661       8.210426  
1 1 1 -12 50  17 o 147.514 3.4379  11835.08   549.285  11602.55   808.122  12034.75   748.869  145.677 5.1217  148.487 4.6564  -2.810455      6.921983  
1 1 1 -12 50  18 o 90.963  2.9156  4496.82    287.249  4395.66    376.134  4638.38    444.945  89.814  3.8666  92.166  4.4572  -2.352615      5.900617  
1 1 1 -12 50  19 o 92.880  3.1872  4694.76    320.632  4812.88    454.944  4578.17    451.956  93.819  4.4771  91.486  4.5611  2.332825       6.391242  
1 1 1 -12 50  20 o 92.648  3.3025  4676.90    331.398  4669.69    468.139  4684.14    469.199  92.173  4.7049  92.315  4.7083  -0.1418762     6.656084  
1 1 1 -12 50  21 o 106.710 3.2288  6207.77    373.182  6155.71    538.130  6256.00    517.965  105.873 4.6928  106.798 4.4778  -0.9252319     6.486375  
1 1 1 -12 50  22 o 116.203 3.2907  7372.33    414.162  8012.14    606.881  6814.60    566.615  120.658 4.6439  111.253 4.7023  9.404282       6.608831  
1 1 1 -12 50  23 o 36.455  5.4258  753.030    207.709  1088.40    446.912  660.628    234.585  42.284  9.9280  33.744  6.6550  8.540218       11.95219  
1 1 1 -12 50  24 o 32.512  6.2916  613.495    213.540  645.104    448.567  604.233    242.819  32.767  10.851  31.995  7.1829  0.7721462      13.01294  
1 1 1 -12 50  25 o 17.682  7.1086  98.831     208.394  -162.8635  434.025  177.236    237.569  20.160  9.1517  20.203  7.7472  -0.4272079E-01 11.99056  
1 1 1 -12 50  26 o 36.990  5.9570  798.099    230.559  974.560    476.683  744.211    263.421  38.262  10.948  35.166  7.1594  3.096046       13.08137  
1 1 1 -12 50  27 o 70.621  3.8106  2790.73    290.392  2274.89    587.854  2957.23    333.987  59.094  9.5070  72.403  4.2780  -13.30907      10.42514  
1 1 1 -12 50  28 o 31.982  8.2625  666.122    288.247  475.259    489.907  767.180    356.481  27.627  10.969  33.587  9.4186  -5.959774      14.45763  
1 1 1 -12 50  29 o 52.742  7.4613  1754.74    414.334  1366.11    553.684  2249.33    624.622  41.890  11.735  55.965  10.695  -14.07441      15.87708  
1 1 1 -12 50  30 o 36.051  12.642  1159.99    610.293  0.0000     0.0000   1159.99    610.293  ?       ?       36.051  12.642  0.000000       12.64234  
1 1 1 -12 50  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 51  1  o 182.961 4.0369  18153.24   799.972  17097.96   1073.72  19469.88   1199.34  177.451 5.5865  189.336 5.8484  -11.88490      8.087834  
1 1 1 -12 51  2  o 117.670 2.8828  7503.72    367.412  7532.12    518.542  7475.08    520.663  117.851 4.0624  117.403 4.0946  0.4483490      5.767869  
1 1 1 -12 51  3  o 167.035 3.4381  15125.10   622.007  14923.55   877.748  15328.41   881.565  165.833 4.8869  168.070 4.8428  -2.237503      6.879950  
1 1 1 -12 51  4  f 88.232  2.7861  4218.79    266.257  4119.05    374.556  4320.68    378.565  87.153  3.9680  89.262  3.9157  -2.109154      5.574677  
1 1 1 -12 51  5  o 92.203  2.6863  4606.92    268.272  4525.17    394.309  4677.37    366.053  91.346  3.9854  92.881  3.6387  -1.534355      5.396668  
1 1 1 -12 51  6  o 339.601 5.9744  62660.48   2197.53  62484.16   3106.72  62837.04   3108.83  338.566 8.4720  339.526 8.4538  -0.9594421     11.96841  
1 1 1 -12 51  7  o 236.311 4.6057  30303.68   1178.83  30751.50   1564.20  29714.97   1793.44  237.872 6.0713  233.679 7.0859  4.193039       9.331171  
1 1 1 -12 51  8  o 157.848 3.3150  13508.68   566.742  12933.28   799.366  14090.25   803.640  154.354 4.7814  161.124 4.6050  -6.770004      6.638401  
1 1 1 -12 51  9  o 280.185 7.1093  42755.43   2157.47  40841.10   3049.71  44673.32   3052.54  272.990 10.314  285.654 9.8662  -12.66406      14.27331  
1 1 1 -12 51  10 o 214.585 4.1109  24989.14   955.435  24701.30   1349.84  25278.14   1352.54  213.116 5.8478  215.599 5.7921  -2.482727      8.230757  
1 1 1 -12 51  11 o 180.076 3.6883  17594.90   719.378  18141.79   1013.70  17040.05   1021.05  182.690 5.1230  177.030 5.3251  5.660538       7.389320  
1 1 1 -12 51  12 o 154.013 3.3650  12869.52   561.320  12515.24   795.227  13221.32   792.431  151.729 4.8390  155.968 4.6909  -4.239349      6.739455  
1 1 1 -12 51  13 o 244.926 4.5506  32617.82   1207.18  31860.69   1704.95  33378.99   1709.49  241.557 6.5166  247.287 6.3825  -5.729904      9.121563  
1 1 1 -12 51  14 o 122.163 3.0691  8099.62    406.095  7594.89    570.002  8619.90    578.709  118.155 4.4541  125.902 4.2438  -7.747223      6.152127  
1 1 1 -12 51  15 o 174.079 3.5919  16469.67   677.237  15692.43   952.724  17263.56   962.872  169.594 5.1866  177.929 4.9963  -8.334885      7.201710  
1 1 1 -12 51  16 f 40.268  4.4874  894.714    192.390  1098.49    297.852  748.830    252.016  44.303  6.3922  36.376  6.6413  7.927132       9.217724  
1 1 1 -12 51  17 o 72.999  3.3472  2898.24    264.651  2517.03    379.042  3260.86    369.681  67.629  5.2149  77.182  4.4410  -9.552376      6.849658  
1 1 1 -12 51  18 o 65.022  3.5758  2309.08    250.861  2324.97    349.693  2292.24    360.078  64.984  5.0069  64.481  5.2000  0.5028915      7.218608  
1 1 1 -12 51  19 o 76.558  3.3738  3192.43    279.754  3152.10    393.708  3233.55    397.583  75.698  4.8271  76.677  4.8117  -0.9791718     6.815704  
1 1 1 -12 51  20 o 131.655 3.3067  9445.93    471.522  9087.22    683.520  9771.63    651.312  128.649 4.9054  133.549 4.5027  -4.900513      6.658659  
1 1 1 -12 51  21 o 56.640  4.0391  1764.93    246.161  1858.24    368.626  1689.82    330.702  57.599  5.9967  55.010  5.6297  2.588982       8.225190  
1 1 1 -12 51  22 o 64.962  3.8565  2319.99    270.132  2464.78    413.009  2211.74    357.107  66.356  5.8050  63.012  5.2812  3.343792       7.847847  
1 1 1 -12 51  23 o 123.401 3.1642  8321.94    422.912  8056.66    828.882  8415.30    491.733  119.590 6.4228  123.900 3.6643  -4.310715      7.394498  
1 1 1 -12 51  24 o 106.316 3.1904  6185.73    367.383  5866.15    750.810  6286.33    421.259  101.427 6.8751  107.011 3.6345  -5.584511      7.776690  
1 1 1 -12 51  25 o 18.242  7.1968  123.234    209.662  -95.7536   432.103  190.667    239.779  20.767  9.3046  20.524  7.8038  0.2430344      12.14395  
1 1 1 -12 51  26 o 39.551  5.6475  906.906    235.057  350.601    480.383  1082.03    269.527  26.846  10.793  43.124  5.9272  -16.27826      12.31334  
1 1 1 -12 51  27 o 47.884  4.9594  1319.29    253.477  1310.74    513.897  1322.04    291.390  43.138  10.973  47.443  5.7908  -4.305401      12.40726  
1 1 1 -12 51  28 o 37.436  6.7084  859.205    262.014  1054.70    375.903  674.471    365.407  39.890  8.9237  31.268  9.7417  8.622265       13.21111  
1 1 1 -12 51  29 o 43.103  8.7549  1246.24    394.776  692.615    527.345  1952.05    595.429  30.180  11.550  51.461  11.015  -21.28109      15.96034  
1 1 1 -12 51  30 o 18.998  9.1206  -364.3470  544.027  0.0000     0.0000   -364.3470  544.027  ?       ?       18.998  9.1206  0.000000       9.120604  
1 1 1 -12 51  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 52  1  o 313.667 5.6812  53432.54   1930.10  54253.48   2729.75  52611.82   2729.38  315.633 7.9849  310.794 8.1082  4.838928       11.37986  
1 1 1 -12 52  2  f 184.072 3.7962  18372.40   756.846  18074.38   1069.25  18671.63   1071.43  182.454 5.4107  185.451 5.3342  -2.996643      7.597986  
1 1 1 -12 52  3  o 201.796 4.1592  22086.67   909.060  21674.25   1214.83  22611.49   1370.40  199.778 5.6143  203.989 6.2025  -4.211090      8.366137  
1 1 1 -12 52  4  o 281.053 5.0196  42874.29   1528.03  41536.00   2159.90  44215.19   2162.01  276.299 7.2175  285.110 7.0013  -8.810944      10.05531  
1 1 1 -12 52  5  o 243.483 4.5144  32165.68   1190.52  32260.38   1681.50  32070.49   1685.81  243.614 6.3727  242.891 6.4081  0.7230530      9.037408  
1 1 1 -12 52  6  o 114.740 2.9113  7135.46    361.805  6985.35    507.619  7290.46    515.819  113.479 4.1300  115.932 4.1079  -2.452751      5.825130  
1 1 1 -12 52  7  f 221.924 4.4070  26725.10   1059.29  27105.05   1409.37  26231.78   1605.93  223.329 5.8265  219.571 6.7528  3.758560       8.918973  
1 1 1 -12 52  8  o 114.133 2.9720  7061.33    367.392  6943.39    519.229  7179.58    519.914  113.119 4.2379  115.031 4.1730  -1.911346      5.947593  
1 1 1 -12 52  9  o 287.479 5.9231  44944.98   1844.27  44910.80   2257.06  45013.64   3199.18  287.067 7.2592  286.480 10.310  0.5873718      12.60949  
1 1 1 -12 52  10 o 271.351 4.8862  40002.95   1436.06  39472.23   2029.51  40535.12   2032.28  269.103 6.9631  272.723 6.8801  -3.619904      9.788776  
1 1 1 -12 52  11 o 288.239 5.1308  45173.87   1601.80  44759.24   2265.10  45588.64   2265.46  286.326 7.3039  288.988 7.2378  -2.661682      10.28266  
1 1 1 -12 52  12 o 204.228 3.9713  22651.51   878.448  22753.85   1241.24  22548.82   1243.38  204.403 5.6066  203.473 5.6419  0.9302063      7.953959  
1 1 1 -12 52  13 o 233.446 4.3448  29629.63   1098.56  28196.00   1550.97  31073.00   1556.23  227.235 6.3017  238.632 6.0211  -11.39722      8.715812  
1 1 1 -12 52  14 o 92.652  2.9197  4658.76    292.993  4309.37    408.908  5027.40    420.025  89.005  4.2417  96.155  4.0331  -7.150108      5.853022  
1 1 1 -12 52  15 o 47.738  3.7647  1246.98    193.076  1220.99    259.751  1279.07    288.626  47.016  5.1872  48.049  5.6542  -1.033253      7.673127  
1 1 1 -12 52  16 f 63.263  3.3694  2182.06    230.044  2322.59    342.605  2066.70    310.433  65.038  4.8996  61.364  4.7066  3.674232       6.793951  
1 1 1 -12 52  17 o 85.690  3.1372  3992.10    291.168  3933.02    422.632  4045.48    401.712  84.738  4.6223  86.004  4.3263  -1.266258      6.331065  
1 1 1 -12 52  18 o 112.832 3.0965  6924.46    378.415  6248.09    548.332  7539.54    522.894  106.870 4.7372  117.543 4.1072  -10.67343      6.269749  
1 1 1 -12 52  19 o 85.219  3.2597  3955.00    300.871  3905.98    423.517  4004.94    427.503  84.320  4.6554  85.388  4.6398  -1.068573      6.572730  
1 1 1 -12 52  20 o 105.410 3.2253  6054.71    368.229  5847.82    526.414  6252.93    515.273  103.233 4.7080  106.823 4.4535  -3.589355      6.480668  
1 1 1 -12 52  21 o 73.836  2.8258  2968.85    225.986  3225.99    404.792  2852.42    272.386  76.390  4.9186  72.271  3.4798  4.119377       6.025037  
1 1 1 -12 52  22 o 76.657  2.9741  3205.26    246.936  3603.22    473.031  3056.18    289.516  80.427  5.4626  74.735  3.5767  5.692017       6.529402  
1 1 1 -12 52  23 o 51.288  4.1636  1456.87    229.292  1571.52    493.929  1425.38    258.876  51.229  9.2419  50.548  4.7854  0.6803169      10.40731  
1 1 1 -12 52  24 f 29.683  6.5824  516.781    206.076  752.995    458.054  456.838    230.748  34.866  10.914  27.749  7.4991  7.117094       13.24227  
1 1 1 -12 52  25 o 32.305  1.3973  566.614    48.889   578.375    49.927   292.545    241.014  32.637  1.4124  23.002  7.9515  9.635641       8.076010  
1 1 1 -12 52  26 f 37.961  2.3003  790.581    94.131   755.312    100.309  1050.71    272.421  37.055  2.5142  42.307  6.1231  -5.252213      6.619231  
1 1 1 -12 52  27 o 59.715  2.6867  1961.59    173.771  1888.89    209.906  2119.92    309.781  58.263  3.3403  60.935  4.7308  -2.672188      5.791181  
1 1 1 -12 52  28 o 26.254  8.6323  449.057    284.074  356.609    493.161  494.964    347.521  25.787  10.715  27.285  9.5416  -1.497707      14.34744  
1 1 1 -12 52  29 o 22.383  9.3228  237.902    374.635  -131.1806  503.369  696.202    560.918  20.303  9.4452  30.061  11.800  -9.758492      15.11425  
1 1 1 -12 52  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 53  1  o 246.307 4.5205  32915.19   1205.96  33532.38   1705.66  32298.26   1705.30  248.383 6.3402  243.753 6.4592  4.630325       9.050927  
1 1 1 -12 53  2  o 267.080 4.7739  38709.76   1380.96  39893.59   1952.89  37525.75   1953.05  270.868 6.6566  262.674 6.8648  8.194977       9.562155  
1 1 1 -12 53  3  o 86.665  2.7627  4070.35    259.330  4068.18    362.831  4072.62    370.795  86.613  3.8677  86.657  3.9506  -0.4464722E-01 5.528657  
1 1 1 -12 53  4  o 141.350 3.1487  10830.18   482.058  10759.97   680.735  10900.80   682.736  140.825 4.4630  141.744 4.4471  -0.9195557     6.300423  
1 1 1 -12 53  5  o 154.136 3.3153  12880.06   553.470  12615.98   780.068  13147.77   785.410  152.463 4.7239  155.648 4.6589  -3.184814      6.634773  
1 1 1 -12 53  6  o 158.305 3.3924  13587.71   581.661  13550.61   819.954  13625.29   825.258  157.995 4.7915  158.429 4.8093  -0.4333954     6.788862  
1 1 1 -12 53  7  f 284.784 5.0987  44045.45   1572.71  42422.22   2222.64  45673.07   2225.66  279.061 7.3536  289.615 7.0952  -10.55365      10.21851  
1 1 1 -12 53  8  o 204.104 3.9180  22601.00   866.138  22441.17   1220.76  22763.02   1229.09  203.197 5.5468  204.650 5.5450  -1.452148      7.843097  
1 1 1 -12 53  9  o 68.656  3.3827  2556.44    251.543  2569.75    303.067  2526.95    450.973  68.689  4.0922  67.861  6.2043  0.8284454      7.432295  
1 1 1 -12 53  10 o 38.812  3.9734  826.151    164.675  909.251    234.765  745.659    231.051  40.522  5.4904  36.532  6.0511  3.989624       8.170666  
1 1 1 -12 53  11 o 196.874 3.8704  21042.77   825.313  21101.61   1163.92  20983.26   1170.45  196.907 5.4575  196.346 5.5038  0.5612030      7.750835  
1 1 1 -12 53  12 o 148.221 3.3010  11922.77   529.933  12095.17   748.406  11749.41   750.475  149.136 4.6332  146.978 4.7143  2.157867       6.609938  
1 1 1 -12 53  13 o 51.843  3.5088  1466.22    195.865  1564.08    280.319  1372.88    273.787  53.374  4.9038  49.942  5.1346  3.432865       7.100141  
1 1 1 -12 53  14 o 105.620 2.9818  6055.84    341.109  5888.28    478.393  6229.14    486.510  104.021 4.2461  106.995 4.1982  -2.974274      5.971116  
1 1 1 -12 53  15 o 90.496  3.0222  4447.97    296.221  4557.33    427.820  4347.26    410.554  91.464  4.3186  89.340  4.2428  2.123657       6.054058  
1 1 1 -12 53  16 o 60.889  3.5816  2024.09    235.164  2008.96    347.134  2036.92    319.703  60.359  5.3658  60.872  4.8903  -0.5132561     7.260001  
1 1 1 -12 53  17 o 69.537  3.4228  2631.23    257.793  3063.21    366.114  2206.44    363.053  74.758  4.5431  63.241  5.3505  11.51692       7.019108  
1 1 1 -12 53  18 o 106.979 3.1170  6226.36    361.169  6707.03    518.681  5773.94    503.211  110.797 4.3222  102.759 4.5213  8.038216       6.254851  
1 1 1 -12 53  19 o 80.552  3.2924  3534.68    287.249  3758.61    408.324  3315.27    404.171  82.717  4.5754  77.606  4.8324  5.111359       6.654787  
1 1 1 -12 53  20 o 72.536  3.4950  2870.81    274.584  2769.67    387.192  2973.15    389.459  70.778  5.0846  73.389  4.9282  -2.610680      7.080986  
1 1 1 -12 53  21 o 96.213  3.3356  5053.36    347.601  4652.65    512.042  5395.86    473.393  91.670  5.1783  99.126  4.4092  -7.456299      6.801215  
1 1 1 -12 53  22 o 23.524  7.4888  310.860    214.834  768.106    352.741  41.244     270.865  35.777  9.0859  18.609  7.8502  17.16770       12.00745  
1 1 1 -12 53  23 o 90.199  3.7720  4466.80    368.503  4613.41    658.210  4399.88    444.734  90.080  6.7964  89.104  4.6241  0.9752197      8.220284  
1 1 1 -12 53  24 o 86.594  3.3504  4111.27    314.235  4003.74    645.817  4144.62    359.685  83.352  7.2250  86.783  3.8266  -3.430878      8.175847  
1 1 1 -12 53  25 o 35.517  5.8282  731.454    216.424  692.497    484.478  741.166    241.902  33.039  11.280  35.475  6.5366  -2.435383      13.03675  
1 1 1 -12 53  26 o 53.049  4.3994  1589.77    250.497  2047.94    537.245  1462.49    283.160  56.855  9.0259  50.424  5.2623  6.431446       10.44792  
1 1 1 -12 53  27 o 41.883  5.5964  1029.95    247.524  769.457    520.281  1106.16    281.412  32.677  11.652  43.054  6.2146  -10.37754      13.20544  
1 1 1 -12 53  28 o 23.002  9.3424  264.428    363.919  -56.7753   502.871  617.621    527.318  21.285  9.7348  29.603  11.491  -8.317879      15.05991  
1 1 1 -12 53  29 o 23.505  9.5640  307.963    382.271  342.742    518.237  266.455    566.162  25.187  10.751  24.752  10.894  0.4347343      15.30535  
1 1 1 -12 53  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 54  1  o 99.791  2.8394  5397.10    306.894  5777.83    433.254  5013.67    434.778  103.216 3.8755  96.138  4.1755  7.078697       5.696810  
1 1 1 -12 54  2  f 9.6819  4.2726  -27.8130   87.661   20.281     115.872  -92.1774   134.047  12.553  5.2029  11.010  5.0319  1.542718       7.238139  
1 1 1 -12 54  3  o 256.188 4.6858  35620.21   1300.22  34725.17   1837.68  36517.42   1839.90  252.662 6.7152  259.127 6.5556  -6.465103      9.384556  
1 1 1 -12 54  4  o 238.960 4.5299  30987.71   1172.42  31275.04   1657.87  30700.26   1658.22  239.820 6.3825  237.597 6.4436  2.223328       9.069586  
1 1 1 -12 54  5  o 81.065  2.8449  3561.85    249.783  3338.11    349.944  3794.24    356.645  78.332  4.1394  83.635  3.9371  -5.303596      5.712726  
1 1 1 -12 54  6  o 71.956  2.3517  2805.68    183.284  2765.97    299.868  2829.35    231.577  71.302  3.8977  72.246  2.9594  -0.9447937     4.893918  
1 1 1 -12 54  7  o 143.373 3.1654  11145.08   491.545  11005.13   695.431  11284.79   694.870  142.385 4.5094  144.187 4.4495  -1.802277      6.335034  
1 1 1 -12 54  8  o 90.300  3.2457  4421.79    317.442  3914.53    520.083  4722.97    400.751  84.655  5.7054  93.294  3.9660  -8.638763      6.948427  
1 1 1 -12 54  9  o 186.508 4.3380  18887.73   876.301  19156.82   1071.70  18344.86   1522.19  187.714 5.2712  183.296 7.6674  4.417694       9.304490  
1 1 1 -12 54  10 o 45.058  3.5628  1108.54    172.455  1005.53    231.573  1236.80    258.404  42.701  5.1084  47.420  5.1120  -4.718300      7.226939  
1 1 1 -12 54  11 o 164.086 3.6084  14615.46   641.294  14548.68   864.850  14697.02   955.810  163.549 4.8823  164.306 5.3709  -0.7568665     7.258322  
1 1 1 -12 54  12 o 161.582 3.4645  14174.82   606.315  14364.94   859.526  13986.51   855.407  162.461 4.8847  160.300 4.9268  2.161102       6.937888  
1 1 1 -12 54  13 o 65.795  2.4481  2347.84    174.457  2250.36    304.123  2395.65    212.984  64.160  4.4030  66.439  2.9598  -2.279114      5.305365  
1 1 1 -12 54  14 o 82.753  3.0211  3718.42    270.778  3390.55    383.874  4043.10    382.009  78.765  4.5186  86.195  4.0919  -7.430702      6.096019  
1 1 1 -12 54  15 o 19.008  6.5549  180.498    163.738  274.405    242.057  101.280    222.320  23.230  7.9722  18.559  7.3826  4.671104       10.86549  
1 1 1 -12 54  16 o 25.935  6.1778  384.166    171.057  309.339    254.229  446.066    231.227  24.302  8.1715  27.922  7.4906  -3.620085      11.08524  
1 1 1 -12 54  17 o 83.421  3.1595  3784.94    285.474  3707.02    413.838  3855.69    394.313  82.222  4.6662  83.926  4.3528  -1.704330      6.381237  
1 1 1 -12 54  18 o 85.904  3.2140  4017.10    299.045  3726.00    439.724  4267.58    407.893  82.298  4.9562  88.369  4.2616  -6.071404      6.536484  
1 1 1 -12 54  19 o 106.235 3.1660  6146.33    364.288  5809.43    518.018  6475.96    512.389  102.951 4.6456  108.777 4.3490  -5.826149      6.363652  
1 1 1 -12 54  20 o 88.509  3.2918  4272.21    315.569  4250.56    445.349  4294.04    447.222  87.847  4.6976  88.298  4.6932  -0.4505463     6.640283  
1 1 1 -12 54  21 o 50.214  4.3704  1395.19    235.323  1580.68    337.324  1219.33    328.448  53.006  5.9801  46.224  6.7601  6.781639       9.025599  
1 1 1 -12 54  22 f 115.086 3.3026  7240.65    411.670  7316.39    605.947  7175.73    561.024  115.059 4.8623  114.094 4.5399  0.9643707      6.652291  
1 1 1 -12 54  23 o 24.619  7.8289  346.354    234.843  54.022     446.905  457.872    276.026  23.141  9.9332  27.880  8.4269  -4.738457      13.02617  
1 1 1 -12 54  24 o 15.656  2.0865  135.742    34.501   133.930    34.920   209.775    223.205  15.543  2.1304  20.694  7.5968  -5.151134      7.889892  
1 1 1 -12 54  25 o 37.299  5.5763  803.611    218.363  1037.42    487.597  744.957    244.222  39.526  10.991  35.461  6.6016  4.065186       12.82129  
1 1 1 -12 54  26 o 46.977  4.7041  1259.04    236.135  1345.08    521.001  1236.80    264.907  44.048  10.964  46.195  5.3962  -2.147060      12.21975  
1 1 1 -12 54  27 f 55.067  4.3783  1722.74    258.980  1792.07    550.654  1703.05    293.462  51.273  10.274  54.341  5.0435  -3.068096      11.44487  
1 1 1 -12 54  28 o 61.240  6.3367  2258.97    414.225  1878.41    585.301  2640.83    586.306  51.069  10.913  63.540  8.7515  -12.47132      13.98846  
1 1 1 -12 54  29 o 20.100  8.8048  91.498     366.055  -311.3713  504.783  538.339    531.618  18.865  8.9822  27.663  11.270  -8.798056      14.41137  
1 1 1 -12 54  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 55  1  o 352.761 6.7069  67703.63   2562.54  68174.28   3951.91  67362.16   3366.11  352.864 10.340  351.270 8.8474  1.594147       13.60872  
1 1 1 -12 55  2  o 229.919 4.2295  28681.06   1053.27  28031.36   1488.90  29331.90   1490.20  227.081 6.0536  232.307 5.9226  -5.226868      8.468966  
1 1 1 -12 55  3  o 300.151 5.2527  48929.66   1707.63  48350.28   2414.23  49509.72   2415.67  297.927 7.4817  301.498 7.3975  -3.570618      10.52130  
1 1 1 -12 55  4  o 449.469 7.5679  110076.90  3684.24  112022.00  5210.06  108131.50  5210.54  452.078 10.640  444.061 10.834  8.017029       15.18500  
1 1 1 -12 55  5  o 405.004 6.8511  89293.81   3005.31  91518.00   4249.87  87069.02   4250.44  408.997 9.5937  398.826 9.8397  10.17023       13.74256  
1 1 1 -12 55  6  o 162.469 3.3740  14314.02   593.729  13953.37   838.615  14676.49   840.707  160.297 4.8302  164.408 4.7212  -4.111206      6.754311  
1 1 1 -12 55  7  o 313.144 5.8761  53335.17   1992.98  52397.36   3062.66  54023.96   2624.74  309.429 9.1384  314.670 7.7012  -5.241486      11.95068  
1 1 1 -12 55  8  o 75.476  4.1417  3101.56    337.283  3034.06    470.481  3172.93    483.777  74.444  5.8829  76.135  5.9131  -1.690598      8.341077  
1 1 1 -12 55  9  o 253.760 5.3661  35026.07   1474.87  35864.76   1804.44  33338.01   2559.96  256.520 6.4946  246.390 9.5927  10.13004       11.58443  
1 1 1 -12 55  10 o 222.828 4.2230  26972.71   1019.21  27382.28   1439.70  26561.22   1443.05  224.178 5.9294  220.767 6.0350  3.410675       8.460429  
1 1 1 -12 55  11 o 62.304  2.5499  2104.91    172.072  2665.51    313.858  1863.99    205.750  69.914  4.1636  58.516  3.2593  11.39777       5.287586  
1 1 1 -12 55  12 o 133.414 3.1288  9660.86    452.122  9901.31    637.975  9418.26    640.830  134.922 4.3657  131.572 4.4969  3.349731       6.267447  
1 1 1 -12 55  13 o 80.480  2.6341  3514.19    229.610  3428.87    368.496  3568.33    293.566  79.259  4.3087  81.052  3.3440  -1.792923      5.454123  
1 1 1 -12 55  14 o 129.269 3.1286  9077.13    438.034  9135.80    616.248  9017.21    622.750  129.495 4.3937  128.638 4.4696  0.8566284      6.267586  
1 1 1 -12 55  15 o 23.168  6.5355  303.006    171.113  417.274    259.586  215.204    227.547  27.265  8.1567  21.403  7.6977  5.861221       11.21546  
1 1 1 -12 55  16 o 67.202  3.2968  2456.23    239.965  2552.71    357.025  2376.73    324.086  68.169  4.8675  65.820  4.5744  2.348267       6.679667  
1 1 1 -12 55  17 o 36.997  1.9535  744.595    78.000   1030.93    289.797  722.232    80.989   42.780  6.4552  36.426  2.0612  6.354046       6.776271  
1 1 1 -12 55  18 o 24.046  6.7187  329.797    181.747  172.419    261.904  475.978    252.415  21.098  8.1235  28.723  7.8773  -7.625290      11.31561  
1 1 1 -12 55  19 f 53.107  3.8889  1548.85    222.132  1793.16    324.040  1332.26    305.099  56.837  5.3259  48.775  5.8949  8.062286       7.944479  
1 1 1 -12 55  20 o 55.798  3.9314  1711.85    236.075  1781.33    337.512  1645.31    330.326  56.502  5.5884  54.247  5.7077  2.255127       7.988008  
1 1 1 -12 55  21 o 64.316  3.8905  2274.68    269.744  2305.08    393.149  2247.64    370.783  64.191  5.7145  63.473  5.4461  0.7180977      7.893999  
1 1 1 -12 55  22 o 41.652  5.2548  976.872    231.787  1075.40    372.123  914.410    296.282  42.611  8.3615  39.652  7.1624  2.959579       11.00974  
1 1 1 -12 55  23 o 67.655  4.1737  2531.23    304.343  2964.58    553.932  2343.85    364.246  71.827  7.2180  64.705  5.2424  7.122086       8.920880  
1 1 1 -12 55  24 o 89.024  3.2765  4348.33    315.925  4643.16    657.761  4259.93    360.191  89.865  6.8084  87.924  3.7823  1.940788       7.788430  
1 1 1 -12 55  25 o 84.259  2.9383  3898.92    268.149  4908.45    643.308  3686.63    294.999  91.900  6.5050  81.771  3.3308  10.12888       7.308204  
1 1 1 -12 55  26 o 37.383  1.6274  760.988    65.894   780.182    68.223   494.074    254.410  37.847  1.6643  27.930  8.0003  9.916792       8.171609  
1 1 1 -12 55  27 o 25.044  1.1437  340.681    31.022   347.460    31.211   -214.5292  282.453  25.292  1.1394  14.809  6.9497  10.48267       7.042452  
1 1 1 -12 55  28 o 23.756  8.6778  349.384    290.728  147.490    357.192  745.653    500.421  20.961  8.9357  31.407  11.398  -10.44581      14.48334  
1 1 1 -12 55  29 o 55.863  2.6305  1725.51    159.157  1771.61    165.335  1142.99    587.734  56.574  2.6982  36.444  12.424  20.13008       12.71331  
1 1 1 -12 55  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 56  1  o 285.650 5.9064  44357.09   1827.36  45587.83   2584.94  43127.59   2583.63  289.061 8.2564  281.094 8.4861  7.966766       11.83984  
1 1 1 -12 56  2  o 201.157 3.9582  21951.25   862.390  21903.54   1218.93  21999.08   1220.28  200.765 5.6056  201.203 5.5995  -0.4381561     7.923224  
1 1 1 -12 56  3  o 154.500 3.3388  12943.15   558.711  12476.35   788.727  13413.30   791.555  151.588 4.8039  157.190 4.6493  -5.601715      6.685290  
1 1 1 -12 56  4  o 153.667 3.4009  12804.97   566.032  13254.40   798.986  12352.15   802.003  156.244 4.7213  150.817 4.9097  5.427322       6.811480  
1 1 1 -12 56  5  o 107.087 2.7656  6215.98    320.775  6184.63    461.765  6245.21    445.937  106.763 3.9933  107.293 3.8374  -0.5294189     5.538196  
1 1 1 -12 56  6  o 172.148 3.6902  16076.59   688.060  15913.07   1023.02  16211.67   929.776  171.087 5.5207  172.748 4.9693  -1.661011      7.427816  
1 1 1 -12 56  7  o 207.618 3.8612  23391.44   868.279  23229.25   1228.07  23553.55   1227.80  206.683 5.4859  208.127 5.4466  -1.443802      7.730513  
1 1 1 -12 56  8  o 108.691 3.3945  6408.74    399.610  5383.52    691.151  6923.57    489.772  99.187  6.4689  112.934 4.0040  -13.74715      7.607862  
1 1 1 -12 56  9  o 171.046 3.5291  15877.12   653.798  15920.51   921.877  15833.21   927.368  171.103 4.9744  170.627 5.0180  0.4759827      7.065819  
1 1 1 -12 56  10 o 51.468  3.3812  1443.81    187.438  1265.22    258.431  1642.03    272.263  47.958  5.0512  54.760  4.6340  -6.801941      6.854810  
1 1 1 -12 56  11 f 196.703 4.0257  21026.71   857.683  21208.52   1145.01  20794.29   1294.62  197.288 5.3584  195.169 6.1244  2.119247       8.137621  
1 1 1 -12 56  12 o 65.472  3.0214  2326.67    214.254  2201.72    303.429  2450.92    302.575  63.453  4.4431  66.998  4.1908  -3.544937      6.107673  
1 1 1 -12 56  13 o 25.725  1.7374  360.327    48.126   445.821    229.552  356.397    49.219   27.979  7.4445  25.579  1.7878  2.399366       7.656175  
1 1 1 -12 56  14 o 112.864 3.0404  6919.44    371.665  7304.79    534.780  6559.42    516.903  115.795 4.2640  109.715 4.3498  6.079926       6.091200  
1 1 1 -12 56  15 o 104.818 3.0536  5970.60    346.673  5558.23    498.665  6356.33    482.285  100.919 4.5621  107.998 4.1231  -7.078506      6.149174  
1 1 1 -12 56  16 o 124.082 3.1594  8372.30    424.601  8206.17    611.978  8526.51    589.600  122.560 4.6102  124.988 4.3553  -2.427864      6.342117  
1 1 1 -12 56  17 o 139.754 3.4754  10637.98   526.068  10374.94   746.425  10897.60   741.544  137.592 5.0087  141.066 4.8534  -3.473969      6.974370  
1 1 1 -12 56  18 o 124.998 3.2305  8508.69    437.370  8571.44    635.673  8452.27    602.710  125.074 4.6924  124.266 4.4780  0.8080139      6.486252  
1 1 1 -12 56  19 o 81.468  2.7880  3611.29    246.012  3572.97    426.170  3630.45    301.279  80.495  4.9116  81.589  3.4093  -1.094040      5.978912  
1 1 1 -12 56  20 o 14.700  6.3122  -4.9619    180.586  90.306     263.810  -88.9648   247.722  19.369  7.9203  15.838  7.0743  3.530930       10.61969  
1 1 1 -12 56  21 o 27.387  6.9421  437.819    206.200  275.980    293.228  596.136    290.020  23.797  8.7116  31.723  8.3330  -7.925957      12.05538  
1 1 1 -12 56  22 o 42.125  5.5761  1004.33    248.162  1075.79    374.344  948.311    331.464  42.559  8.4192  40.090  7.9145  2.468468       11.55514  
1 1 1 -12 56  23 o 65.404  3.9369  2362.26    277.590  2539.45    436.286  2241.74    359.815  66.949  6.0830  63.211  5.3046  3.738274       8.071041  
1 1 1 -12 56  24 o 50.698  4.3132  1435.23    234.595  1840.96    511.251  1327.02    264.032  55.058  8.8749  48.442  5.1093  6.615734       10.24055  
1 1 1 -12 56  25 o 31.980  6.4565  611.807    215.934  1189.55    483.991  468.225    241.279  42.141  10.611  27.524  7.7593  14.61715       13.14500  
1 1 1 -12 56  26 o 21.295  7.4276  260.224    210.524  -65.9252   475.310  339.823    234.813  21.169  9.5970  23.663  7.8515  -2.493687      12.39954  
1 1 1 -12 56  27 o 23.657  8.1633  344.031    253.967  669.906    490.719  224.813    296.810  30.719  11.266  21.495  8.5366  9.223787       14.13499  
1 1 1 -12 56  28 o 24.586  9.4494  372.325    353.929  356.157    501.232  388.402    499.834  25.501  10.714  25.910  10.778  -0.4085102     15.19737  
1 1 1 -12 56  29 o 31.559  9.7798  729.854    368.828  537.271    521.014  923.305    522.189  27.440  11.165  33.455  11.696  -6.014725      16.17006  
1 1 1 -12 57  1  o 247.356 4.5338  33215.34   1214.67  32514.38   1717.86  33916.20   1717.74  244.422 6.4890  249.661 6.3524  -5.239090      9.080713  
1 1 1 -12 57  2  o 267.997 4.8074  39002.18   1395.44  39317.83   1974.76  38687.37   1972.15  268.715 6.7850  266.542 6.8313  2.173035       9.628256  
1 1 1 -12 57  3  o 162.648 3.4229  14346.71   602.991  14208.79   851.100  14485.70   854.427  161.749 4.8581  163.320 4.8302  -1.571213      6.850715  
1 1 1 -12 57  4  o 36.024  3.5555  710.732    136.919  584.702    195.369  832.380    191.943  32.306  5.7964  38.877  4.6506  -6.571419      7.431451  
1 1 1 -12 57  5  o 121.618 2.9860  8019.31    393.331  8072.46    555.684  7965.95    556.827  121.950 4.2070  121.141 4.2439  0.8096848      5.975730  
1 1 1 -12 57  6  o 65.851  2.8642  2351.02    204.282  2418.40    287.402  2282.22    290.418  66.633  4.0008  64.706  4.1660  1.926720       5.776016  
1 1 1 -12 57  7  o 80.407  2.7220  3505.14    237.058  3854.86    339.709  3173.20    330.964  84.282  3.7214  76.350  4.0163  7.931992       5.475352  
1 1 1 -12 57  8  o 82.998  4.0732  3740.82    366.164  3628.19    511.368  3859.34    524.550  81.417  5.8377  83.988  5.8019  -2.571533      8.230469  
1 1 1 -12 57  9  o 65.810  3.0185  2349.40    215.158  2319.50    297.780  2382.05    311.224  65.201  4.2397  66.062  4.3744  -0.8612137     6.091821  
1 1 1 -12 57  10 o 49.816  3.2671  1352.60    175.304  1342.70    234.592  1365.12    263.806  49.499  4.4222  49.840  4.9525  -0.3406677     6.639513  
1 1 1 -12 57  11 o 58.966  2.4704  1885.66    157.772  2275.36    277.277  1699.08    191.859  64.577  3.9837  55.856  3.1845  8.721481       5.100132  
1 1 1 -12 57  12 o 94.625  2.9606  4860.45    303.428  4946.95    429.763  4774.46    428.465  95.354  4.1612  93.671  4.2232  1.683662       5.928822  
1 1 1 -12 57  13 o 113.236 3.0032  6963.32    368.326  6855.98    516.778  7074.14    525.104  112.203 4.2523  113.974 4.2537  -1.771042      6.014685  
1 1 1 -12 57  14 o 144.065 3.3473  11283.60   522.298  11661.59   753.499  10934.01   724.630  146.169 4.7595  141.543 4.7267  4.625641       6.707754  
1 1 1 -12 57  15 o 238.904 4.4899  31149.20   1161.80  32516.59   1646.25  29792.41   1639.85  243.215 6.2493  232.659 6.5075  10.55624       9.022297  
1 1 1 -12 57  16 o 254.850 4.8444  35532.11   1337.20  37226.59   1774.31  33304.32   2034.46  259.948 6.3019  244.874 7.6707  15.07475       9.927442  
1 1 1 -12 57  17 o 152.713 3.4341  12704.10   568.007  12890.04   810.705  12524.82   796.061  153.369 4.8804  151.188 4.8614  2.181488       6.888492  
1 1 1 -12 57  18 o 45.237  4.4319  1130.68    214.358  1040.47    307.225  1216.25    299.230  42.784  6.8618  46.546  6.0807  -3.762455      9.168417  
1 1 1 -12 57  19 o 62.801  3.4102  2157.88    231.093  1881.29    352.718  2365.90    305.890  58.087  5.6790  65.568  4.3317  -7.481171      7.142419  
1 1 1 -12 57  20 o 30.202  6.1722  525.087    195.087  250.364    283.928  770.775    268.505  23.122  8.5544  36.503  7.0465  -13.38131      11.08290  
1 1 1 -12 57  21 o 27.841  7.0185  453.505    211.580  515.189    309.187  399.181    290.157  29.613  8.9116  26.612  8.7230  3.001472       12.47021  
1 1 1 -12 57  22 o 65.767  3.9723  2385.73    281.632  2155.82    423.407  2568.17    377.165  61.596  6.4418  67.824  5.1733  -6.228371      8.261925  
1 1 1 -12 57  23 o 83.707  3.5486  3847.39    321.727  3787.75    492.679  3891.72    424.808  82.063  5.5761  83.630  4.7090  -1.566750      7.298494  
1 1 1 -12 57  24 o 87.876  3.3036  4246.59    314.435  4459.69    655.575  4182.91    358.343  87.567  6.9698  87.000  3.8028  0.5666733      7.939773  
1 1 1 -12 57  25 o 43.335  4.9679  1075.87    228.965  931.925    501.119  1113.84    257.404  36.512  11.414  43.816  5.5483  -7.304070      12.69066  
1 1 1 -12 57  26 o 44.474  4.9547  1138.75    234.608  1929.77    515.424  932.036    263.485  54.775  9.0005  39.429  6.3884  15.34677       11.03725  
1 1 1 -12 57  27 o 45.734  5.8045  1239.56    281.048  1578.57    531.221  1107.78    331.197  47.337  10.622  42.000  7.5585  5.337082       13.03681  
1 1 1 -12 57  28 o 29.260  9.7479  605.056    361.813  481.099    513.169  727.585    510.204  27.149  11.068  30.857  11.457  -3.707493      15.92987  
1 1 1 -12 57  29 o 20.339  9.4248  -86.7802   493.671  0.0000     0.0000   -86.7802   493.671  ?       ?       20.339  9.4248  0.000000       9.424776  
1 1 1 -12 58  1  o 173.127 3.5308  16257.84   662.080  16590.94   936.754  15925.34   935.891  174.757 4.9490  171.205 5.0471  3.552063       7.068665  
1 1 1 -12 58  2  o 103.929 2.7502  5855.09    309.578  5826.20    427.058  5887.08    449.415  103.626 3.8050  104.156 3.9837  -0.5307388     5.508895  
1 1 1 -12 58  3  o 348.939 6.0512  66255.80   2286.97  64218.82   3233.57  68294.55   3234.97  342.654 8.7128  353.463 8.4500  -10.80994      12.13733  
1 1 1 -12 58  4  f 153.234 3.2189  12733.96   534.232  12772.58   754.723  12695.17   756.316  153.360 4.5437  152.892 4.5672  0.4676666      6.442352  
1 1 1 -12 58  5  o 23.042  5.0219  299.771    121.794  358.728    172.848  241.632    171.643  25.179  6.3415  21.209  6.6876  3.970524       9.216264  
1 1 1 -12 58  6  o 152.762 3.3141  12658.83   548.349  12447.68   774.171  12871.40   776.801  151.353 4.7225  153.914 4.6597  -2.561325      6.634421  
1 1 1 -12 58  7  o 78.927  2.8193  3378.01    241.014  3489.31    345.063  3271.99    336.779  80.165  3.9741  77.522  4.0248  2.642662       5.656229  
1 1 1 -12 58  8  o 232.919 6.1809  29583.01   1559.29  30787.82   2203.36  28374.22   2206.99  236.860 8.5886  227.252 8.9665  9.608215       12.41621  
1 1 1 -12 58  9  o 213.281 4.0476  24714.76   935.011  24983.94   1319.03  24442.89   1325.60  214.100 5.6881  211.747 5.7800  2.352982       8.109431  
1 1 1 -12 58  10 o 60.918  3.0775  2019.09    202.394  2004.59    279.430  2035.10    293.549  60.565  4.2874  61.003  4.4740  -0.4374275     6.196681  
1 1 1 -12 58  11 o 142.552 3.2986  11035.50   509.305  10621.80   694.225  11517.68   749.476  139.673 4.5890  145.415 4.7586  -5.741776      6.610816  
1 1 1 -12 58  12 o 15.221  5.9997  71.529     145.592  -124.9744  198.712  299.277    213.927  13.517  6.1578  23.513  7.4716  -9.995511      9.682155  
1 1 1 -12 58  13 o 147.399 3.3337  11808.71   532.216  11431.32   755.124  12181.21   750.233  144.740 4.8168  149.454 4.6347  -4.713730      6.684434  
1 1 1 -12 58  14 o 130.218 3.2368  9217.99    456.522  8676.54    637.147  9789.23    654.440  126.077 4.6659  133.952 4.5108  -7.874786      6.489809  
1 1 1 -12 58  15 o 95.040  2.9662  4909.01    305.335  4731.48    470.825  5037.87    401.120  92.944  4.6922  96.163  3.8512  -3.218872      6.070250  
1 1 1 -12 58  16 o 52.673  2.2391  1505.99    127.742  1521.21    361.504  1503.82    136.551  52.105  6.5504  52.627  2.3956  -0.5217857     6.974756  
1 1 1 -12 58  17 o 76.564  3.2158  3191.46    266.674  3115.32    395.531  3254.90    361.086  75.234  4.8803  77.034  4.3455  -1.800011      6.534567  
1 1 1 -12 58  18 o 78.747  3.2042  3378.05    273.288  3154.56    404.034  3566.54    371.044  75.633  4.9596  80.622  4.2643  -4.989662      6.540799  
1 1 1 -12 58  19 f 21.869  7.0559  261.928    190.231  403.451    287.670  151.945    253.596  26.861  8.6779  20.355  7.9497  6.506058       11.76875  
1 1 1 -12 58  20 o 22.644  7.1272  286.921    195.028  320.110    297.391  261.877    258.337  24.894  8.8163  22.895  8.2054  1.999168       12.04397  
1 1 1 -12 58  21 o 55.998  4.1128  1732.11    247.703  2029.23    389.824  1530.91    320.790  59.973  6.0856  52.122  5.7796  7.850319       8.392758  
1 1 1 -12 58  22 o 53.386  4.6242  1586.35    264.742  1082.33    396.102  1993.28    355.916  42.440  8.9014  59.540  5.5843  -17.10038      10.50805  
1 1 1 -12 58  23 o 68.033  3.9860  2561.25    292.438  2932.27    464.659  2317.91    376.314  71.857  6.0259  64.104  5.4724  7.753670       8.139956  
1 1 1 -12 58  24 o 48.168  2.5711  1272.67    133.651  2136.98    508.711  1208.59    138.517  59.522  8.1013  46.895  2.7390  12.62687       8.551797  
1 1 1 -12 58  25 o 32.488  6.4262  634.822    218.112  787.682    480.356  595.122    244.802  33.704  11.232  30.983  7.3972  2.721020       13.44908  
1 1 1 -12 58  26 o 15.953  1.9758  141.071    33.411   141.200    33.757   134.883    233.886  15.957  1.9969  18.637  7.5175  -2.680859      7.778219  
1 1 1 -12 58  27 o 21.099  8.8810  159.844    345.432  323.817    485.232  -8.6436    491.865  25.277  10.576  21.593  9.7785  3.683887       14.40386  
1 1 1 -12 58  28 o 19.548  8.5671  68.306     346.914  -278.7193  488.678  420.875    492.566  18.918  8.9582  26.134  10.770  -7.215992      14.00879  
1 1 1 -12 58  29 o 22.695  10.086  155.895    496.987  0.0000     0.0000   155.895    496.987  ?       ?       22.695  10.086  0.000000       10.08628  
1 1 1 -12 59  1  o 171.393 3.5067  15935.86   650.973  16275.31   920.754  15596.61   920.477  173.066 4.9120  169.407 5.0166  3.659225       7.021008  
1 1 1 -12 59  2  o 136.506 3.0096  10104.06   444.965  10253.35   628.607  9954.14    629.947  137.426 4.2232  135.400 4.2955  2.025909       6.023847  
1 1 1 -12 59  3  o 270.770 5.0276  39848.66   1474.45  41163.95   1950.54  38095.09   2252.20  274.855 6.5521  264.052 7.8749  10.80319       10.24426  
1 1 1 -12 59  4  o 44.624  3.1660  1085.43    152.029  1254.58    209.229  896.231    221.281  47.901  4.0714  40.271  5.1943  7.630035       6.599810  
1 1 1 -12 59  5  o 36.888  2.0090  739.544    79.962   701.348    86.848   952.167    204.906  35.903  2.2446  41.607  4.6252  -5.704441      5.141070  
1 1 1 -12 59  6  o 49.528  3.1155  1335.85    166.278  1207.52    235.853  1462.67    234.459  46.900  4.7064  51.722  4.2221  -4.821682      6.322711  
1 1 1 -12 59  7  f 140.211 3.1589  10665.60   479.712  10891.88   678.811  10439.86   678.020  141.567 4.4271  138.589 4.5170  2.978729       6.324694  
1 1 1 -12 59  8  o 171.555 5.0336  16017.89   935.306  16819.76   1320.30  15210.09   1325.16  175.404 6.9496  166.710 7.3390  8.694427       10.10735  
1 1 1 -12 59  9  o 63.808  2.9944  2209.24    206.945  2144.73    284.889  2281.32    301.114  62.669  4.2217  64.629  4.3266  -1.960037      6.045072  
1 1 1 -12 59  10 o 116.855 2.9849  7411.15    377.781  7120.49    530.093  7711.13    538.533  114.409 4.2778  119.072 4.1757  -4.663132      5.978014  
1 1 1 -12 59  11 f 122.695 3.0661  8173.83    407.454  7908.71    571.565  8447.79    581.006  120.526 4.3784  124.577 4.3060  -4.050804      6.141009  
1 1 1 -12 59  12 o 110.596 3.0195  6642.70    361.695  6584.38    516.130  6698.98    507.019  109.945 4.3342  110.914 4.2205  -0.9692764     6.049670  
1 1 1 -12 59  13 o 91.001  3.0247  4498.82    298.125  4529.95    428.367  4469.57    415.168  91.163  4.3384  90.568  4.2323  0.5954361      6.060867  
1 1 1 -12 59  14 o 188.675 3.9719  19393.40   811.671  19623.34   1093.19  19110.90   1211.69  189.341 5.3306  186.590 5.9956  2.751358       8.022665  
1 1 1 -12 59  15 o 13.120  1.6730  94.836     23.232   -108.1565  231.904  96.894     23.350   15.074  6.7803  13.265  1.6617  1.808791       6.980906  
1 1 1 -12 59  16 o 85.487  3.1297  3976.40    289.780  4044.18    425.893  3917.98    395.424  85.859  4.5964  84.566  4.3317  1.293243       6.315894  
1 1 1 -12 59  17 o 57.842  3.5878  1831.15    223.658  1971.28    335.764  1719.38    299.872  59.676  5.2481  55.756  5.0194  3.919689       7.262041  
1 1 1 -12 59  18 o 71.775  3.2957  2808.25    256.203  2868.74    384.132  2759.78    343.857  72.086  4.9499  70.814  4.5067  1.272369       6.694173  
1 1 1 -12 59  19 o 89.126  3.1633  4331.72    305.364  4618.34    446.180  4079.18    418.818  91.706  4.4920  86.070  4.5083  5.635689       6.364209  
1 1 1 -12 59  20 o 32.082  2.1165  561.754    73.129   813.964    302.037  546.048    75.372   37.281  7.7336  31.616  2.2150  5.664526       8.044577  
1 1 1 -12 59  21 o 58.411  4.0332  1883.23    253.598  1854.85    396.110  1902.94    330.123  57.114  6.5201  58.328  5.2828  -1.214325      8.391655  
1 1 1 -12 59  22 o 60.798  4.3153  2049.01    282.318  2098.01    434.338  2013.16    371.501  60.550  6.7371  59.705  5.8188  0.8445625      8.902080  
1 1 1 -12 59  23 o 31.493  7.2398  592.364    241.788  573.482    373.390  605.999    317.297  30.661  9.8846  31.427  8.9115  -0.7660732     13.30871  
1 1 1 -12 59  24 f 16.318  6.8578  47.649     205.449  242.538    439.223  -6.9338    232.445  24.734  10.179  16.195  7.0573  8.539074       12.38624  
1 1 1 -12 59  25 o 33.580  6.2355  674.461    218.441  1083.07    480.935  568.255    245.191  39.477  10.893  30.179  7.5266  9.297750       13.24015  
1 1 1 -12 59  26 o 23.981  8.5601  345.826    280.884  160.202    474.240  446.128    348.608  23.426  10.145  26.556  9.5303  -3.130051      13.91902  
1 1 1 -12 59  27 o 39.474  8.8553  1039.41    369.285  1332.13    516.330  732.865    528.375  42.528  11.093  31.326  11.654  11.20227       16.08945  
1 1 1 -12 59  28 o 26.971  8.8178  495.190    296.575  456.137    365.874  570.013    506.436  26.047  9.6960  28.207  11.167  -2.160282      14.78903  
1 1 1 -12 59  29 o 33.733  11.745  938.037    526.235  0.0000     0.0000   938.037    526.235  ?       ?       33.733  11.745  0.000000       11.74451  
1 1 1 -12 60  1  o 119.802 2.9584  7783.13    383.870  7995.08    543.548  7572.24    542.202  121.344 4.1357  118.083 4.2394  3.260284       5.922540  
1 1 1 -12 60  2  o 295.978 5.6716  47679.09   1818.17  47253.60   2397.25  48255.29   2789.70  294.097 7.5258  296.770 8.6789  -2.673126      11.48746  
1 1 1 -12 60  3  o 58.111  2.8331  1831.12    178.315  1819.02    248.835  1843.90    255.654  57.745  4.0033  58.132  4.0864  -0.3867493     5.720567  
1 1 1 -12 60  4  o 174.904 3.5514  16601.25   672.770  17390.63   951.325  15811.49   951.556  178.844 4.9111  170.497 5.1528  8.347153       7.118363  
1 1 1 -12 60  5  o 146.822 3.3209  11696.32   528.097  11397.00   771.047  11960.79   724.782  144.766 4.9175  148.353 4.5107  -3.586533      6.672913  
1 1 1 -12 60  6  o 152.314 3.4139  12590.67   563.197  12682.99   768.043  12483.30   828.331  152.733 4.6428  151.471 5.0490  1.261703       6.859165  
1 1 1 -12 60  7  o 184.555 3.8700  18499.89   773.590  18756.82   1037.90  18178.75   1160.36  185.620 5.1625  182.599 5.8671  3.021317       7.814998  
1 1 1 -12 60  8  o 67.317  2.6106  2457.71    190.341  2320.58    292.186  2558.81    250.878  65.208  4.1587  68.654  3.3739  -3.446381      5.355179  
1 1 1 -12 60  9  o 74.470  2.8758  3009.27    231.960  2651.24    320.866  3401.21    335.720  69.687  4.2717  79.104  3.9184  -9.416817      5.796681  
1 1 1 -12 60  10 o 131.278 3.1022  9356.97    441.094  9365.41    620.469  9348.34    627.188  131.172 4.3672  131.045 4.4188  0.1275024      6.212801  
1 1 1 -12 60  11 o 76.838  2.5581  3203.60    212.892  2976.04    336.031  3356.19    275.160  73.817  4.2205  78.601  3.2321  -4.784393      5.315913  
1 1 1 -12 60  12 o 38.442  4.0850  813.617    167.480  726.500    252.299  882.246    223.933  35.794  6.7554  39.834  5.3235  -4.039806      8.600865  
1 1 1 -12 60  13 o 16.335  6.2977  96.903     157.566  47.963     233.684  137.702    213.363  17.810  7.3860  19.116  7.3392  -1.305838      10.41233  
1 1 1 -12 60  14 o 95.525  2.8251  4957.42    292.298  4581.90    455.189  5220.92    381.301  91.483  4.6087  97.935  3.5947  -6.452431      5.844788  
1 1 1 -12 60  15 o 94.304  2.8383  4833.60    289.910  5048.08    443.257  4673.27    383.248  96.158  4.2560  92.592  3.8215  3.566261       5.719925  
1 1 1 -12 60  16 f 64.675  3.3516  2283.95    233.973  2068.27    343.619  2470.39    319.475  61.167  5.2372  67.072  4.4225  -5.905018      6.854712  
1 1 1 -12 60  17 o 86.447  3.1511  4069.43    295.043  4210.86    435.885  3949.83    400.823  87.546  4.6132  84.843  4.3767  2.703148       6.359046  
1 1 1 -12 60  18 o 25.026  6.8587  360.480    191.435  419.357    281.777  310.009    260.888  27.241  8.5657  24.221  8.2772  3.020203       11.91142  
1 1 1 -12 60  19 o 31.151  5.8578  554.989    190.387  429.364    290.888  649.131    251.816  27.479  8.7105  33.410  7.1731  -5.931751      11.28390  
1 1 1 -12 60  20 f 25.488  2.1855  355.769    59.750   825.269    299.219  336.270    60.978   37.545  7.6185  24.760  2.3001  12.78565       7.958135  
1 1 1 -12 60  21 o 51.581  4.4536  1477.39    246.373  1666.74    400.745  1362.33    312.382  53.873  7.0359  49.020  6.0095  4.853535       9.253019  
1 1 1 -12 60  22 o 90.033  3.5338  4448.33    344.597  4305.91    504.452  4572.94    471.849  87.697  5.3362  90.653  4.8230  -2.956337      7.192816  
1 1 1 -12 60  23 o 26.782  1.6268  391.263    46.966   505.957    384.998  389.531    47.320   29.123  10.051  26.721  1.6430  2.402384       10.18428  
1 1 1 -12 60  24 o 59.739  2.4483  1953.27    158.411  1542.44    522.665  1994.82    166.230  48.416  10.284  60.346  2.5433  -11.93007      10.59428  
1 1 1 -12 60  25 o 6.7802  2.7242  11.994     30.585   14.351     30.805   -151.0346  256.233  6.9373  2.7517  14.787  6.8303  -7.850066      7.363715  
1 1 1 -12 60  26 o 21.869  8.9596  204.121    338.391  272.270    470.175  130.887    487.404  24.724  10.382  23.230  10.168  1.494217       14.53166  
1 1 1 -12 60  27 o 29.000  9.6660  582.083    355.737  799.210    497.210  354.376    509.181  32.469  11.410  25.708  10.800  6.760775       15.71031  
1 1 1 -12 60  28 o 21.711  9.0032  221.280    347.215  290.187    485.868  149.361    496.373  24.257  10.383  22.767  10.101  1.490206       14.48589  
1 1 1 -12 61  1  o 117.700 3.0338  7514.05    386.753  7177.06    544.003  7858.44    549.949  114.933 4.3701  120.278 4.2215  -5.345139      6.076045  
1 1 1 -12 61  2  o 110.612 2.9617  6635.83    354.818  6464.70    501.761  6807.00    501.816  109.089 4.2466  111.949 4.1386  -2.859528      5.929762  
1 1 1 -12 61  3  o 69.771  2.6527  2639.49    200.461  2589.21    273.359  2697.99    294.847  68.967  3.6728  70.384  3.8827  -1.416893      5.344603  
1 1 1 -12 61  4  o 307.185 5.4045  51372.49   1798.16  50038.48   2542.38  52707.78   2543.59  302.326 7.7641  310.370 7.5665  -8.043182      10.84133  
1 1 1 -12 61  5  o 128.559 3.1217  8966.92    434.677  8654.71    614.958  9278.65    614.493  126.176 4.4998  130.662 4.3421  -4.486137      6.253172  
1 1 1 -12 61  6  o 92.587  2.8000  4649.69    280.786  4399.33    394.688  4906.24    399.541  89.983  4.0497  95.039  3.8814  -5.055489      5.609413  
1 1 1 -12 61  7  o 195.677 4.4586  20825.10   944.953  19884.97   1635.91  21295.86   1157.61  190.325 7.9358  197.676 5.4068  -7.351318      9.602631  
1 1 1 -12 61  8  o 179.683 4.5032  17568.75   876.399  17464.45   1001.45  17909.89   1811.15  179.014 5.1651  179.778 9.3335  -0.7642822     10.66732  
1 1 1 -12 61  9  o 75.239  2.8827  3072.34    234.914  2941.66    325.657  3214.11    339.195  73.427  4.1114  76.764  4.0944  -3.337273      5.802387  
1 1 1 -12 61  10 o 84.600  2.9030  3885.35    265.999  3674.28    376.876  4094.86    375.487  82.047  4.2556  86.757  3.9960  -4.709572      5.837622  
1 1 1 -12 61  11 o 47.071  1.9721  1201.39    100.544  968.878    245.858  1248.08    110.178  41.734  5.5786  47.973  2.1205  -6.238239      5.968038  
1 1 1 -12 61  12 o 78.446  2.9702  3342.78    252.361  3044.31    362.387  3623.81    351.641  74.580  4.5074  81.578  3.9798  -6.997444      6.012894  
1 1 1 -12 61  13 o 101.230 3.0190  5568.60    331.010  5727.24    474.313  5417.97    462.162  102.487 4.2730  99.680  4.2807  2.806725       6.048361  
1 1 1 -12 61  14 o 59.440  3.4263  1929.07    219.648  1792.31    323.069  2046.62    299.523  56.958  5.2976  61.043  4.5633  -4.085426      6.992008  
1 1 1 -12 61  15 o 132.236 3.2745  9517.89    468.999  10426.03   672.034  8655.66    654.830  138.094 4.4931  125.738 4.8083  12.35578       6.580868  
1 1 1 -12 61  16 o 40.910  4.5604  927.075    198.630  766.490    281.510  1086.29    280.304  36.497  7.3752  43.986  6.0433  -7.489441      9.534939  
1 1 1 -12 61  17 o 68.126  3.4008  2530.42    250.937  2573.54    380.832  2497.33    333.598  68.212  5.1937  67.341  4.6013  0.8709030      6.938819  
1 1 1 -12 61  18 o 79.927  2.8593  3478.37    247.526  4471.68    439.190  3015.99    299.650  90.268  4.4921  74.192  3.7410  16.07584       5.845857  
1 1 1 -12 61  19 o 63.834  3.5583  2234.38    245.038  2843.86    378.123  1793.11    321.737  71.664  4.9009  56.716  5.2989  14.94850       7.217838  
1 1 1 -12 61  20 o 141.968 3.3862  11022.24   520.683  11262.90   747.932  10795.93   725.304  142.789 4.8361  139.824 4.7893  2.964920       6.806241  
1 1 1 -12 61  21 o 44.706  2.6011  1092.86    125.404  1329.15    373.442  1062.83    133.135  47.832  7.4510  44.051  2.8050  3.781189       7.961467  
1 1 1 -12 61  22 o 21.372  1.1366  248.419    26.215   -496.4729  345.220  252.739    26.291   14.761  7.1315  21.558  1.1299  -6.796697      7.220443  
1 1 1 -12 61  23 o 19.740  1.7961  213.743    37.980   113.340    365.433  214.839    38.187   21.695  9.1332  19.790  1.8013  1.904873       9.309162  
1 1 1 -12 61  24 o 21.014  8.0439  216.215    255.825  290.809    443.783  179.090    313.080  25.219  10.288  21.344  8.6665  3.875492       13.45183  
1 1 1 -12 61  25 o 17.066  7.1726  65.182     224.770  30.660     448.972  76.728     259.651  21.704  9.6190  18.215  7.6851  3.488676       12.31203  
1 1 1 -12 61  26 o 21.729  8.9284  200.227    337.261  677.410    466.354  -322.9712  488.323  30.948  11.032  18.979  8.9775  11.96907       14.22303  
1 1 1 -12 61  27 o 36.658  9.1864  920.804    364.005  981.466    507.228  856.389    522.681  35.583  11.526  33.163  11.694  2.419369       16.41951  
1 1 1 -12 61  28 o 23.100  9.2460  300.882    350.845  930.771    491.865  -351.5475  500.589  34.351  11.362  18.568  8.8697  15.78227       14.41404  
1 1 1 -12 62  1  o 104.813 2.7922  5958.05    316.982  5667.57    440.932  6268.73    456.008  102.149 3.9854  107.435 3.9188  -5.286179      5.589306  
1 1 1 -12 62  2  o 45.421  3.0210  1124.12    147.774  1139.91    213.848  1109.69    204.439  45.589  4.3850  44.993  4.2453  0.5957146      6.103374  
1 1 1 -12 62  3  o 94.106  2.5379  4801.87    258.683  4603.30    365.659  5000.83    366.008  92.078  3.6665  95.981  3.5207  -3.903069      5.083163  
1 1 1 -12 62  4  o 110.580 2.9936  6633.82    358.545  6874.33    505.808  6390.91    508.321  112.475 4.1520  108.432 4.3282  4.042862       5.997717  
1 1 1 -12 62  5  o 74.851  2.5280  3038.17    204.945  2754.90    264.353  3464.91    324.470  71.237  3.4262  79.872  3.7507  -8.634827      5.080011  
1 1 1 -12 62  6  o 162.015 3.4001  14251.42   596.651  14210.91   843.578  14291.98   844.006  161.576 4.8203  162.038 4.8090  -0.4621429     6.808994  
1 1 1 -12 62  7  o 32.489  5.2420  589.693    178.180  438.885    295.458  675.888    223.369  28.246  8.7532  34.664  6.1758  -6.418175      10.71255  
1 1 1 -12 62  8  o 168.933 3.4977  15503.75   639.975  15327.04   902.135  15682.78   908.015  167.700 4.9667  169.640 4.9419  -1.940353      7.006464  
1 1 1 -12 62  9  o 152.423 3.4076  12622.98   562.558  12007.53   762.820  13356.82   832.955  148.433 4.7448  156.515 4.9136  -8.081955      6.830556  
1 1 1 -12 62  10 o 86.310  2.8347  4044.18    264.992  4201.37    374.786  3887.03    374.726  87.871  3.9379  84.504  4.0942  3.367279       5.680625  
1 1 1 -12 62  11 o 13.907  2.8642  108.892    41.707   447.512    210.139  95.006     42.554   27.978  6.9625  12.966  3.0765  15.01202       7.611864  
1 1 1 -12 62  12 o 42.383  3.9675  986.745    180.010  1262.70    259.189  729.614    250.193  47.802  5.0841  35.863  6.6870  11.93887       8.400243  
1 1 1 -12 62  13 o 124.589 3.1165  8438.67    420.545  7801.45    597.894  9062.63    591.636  119.518 4.6187  128.903 4.2376  -9.384674      6.268166  
1 1 1 -12 62  14 o 42.222  4.4176  984.116    199.028  1013.28    285.340  956.479    277.749  42.421  6.4102  41.184  6.4374  1.237347       9.084667  
1 1 1 -12 62  15 o 90.373  3.0206  4442.74    295.665  4150.63    423.180  4721.31    413.262  87.002  4.5063  92.989  4.1032  -5.986893      6.094477  
1 1 1 -12 62  16 o 80.595  3.1247  3536.26    272.768  3490.70    394.704  3577.90    377.383  79.705  4.5915  80.762  4.3300  -1.056740      6.311219  
1 1 1 -12 62  17 o 81.092  3.1460  3582.75    276.312  3842.31    403.867  3354.33    378.860  83.606  4.4762  78.095  4.4981  5.510956       6.345797  
1 1 1 -12 62  18 o 75.719  2.7311  3121.08    223.985  3207.02    397.842  3081.20    271.018  76.186  4.8465  75.139  3.3301  1.046722       5.880335  
1 1 1 -12 62  19 o 66.642  3.6876  2437.86    265.136  2587.06    400.064  2321.00    354.057  68.122  5.4682  64.624  5.0998  3.497711       7.477245  
1 1 1 -12 62  20 o 28.693  6.4211  478.970    194.571  498.850    299.834  464.509    255.728  29.129  8.7780  28.108  8.0108  1.021166       11.88385  
1 1 1 -12 62  21 o 86.231  3.0670  4064.38    286.448  3886.50    478.287  4163.87    357.692  83.398  5.3227  87.068  3.7930  -3.669830      6.535925  
1 1 1 -12 62  22 o 39.908  1.8816  866.208    81.331   746.405    369.514  872.307    83.376   34.649  9.5426  40.045  1.9223  -5.395130      9.734334  
1 1 1 -12 62  23 f 43.605  5.8234  1100.97    268.161  883.327    419.308  1251.59    348.822  36.771  10.181  45.756  7.2827  -8.984493      12.51739  
1 1 1 -12 62  24 o 34.069  7.7169  722.344    278.152  595.499    465.153  792.948    347.035  30.269  10.989  34.953  9.0836  -4.684320      14.25704  
1 1 1 -12 62  25 o 29.297  9.4599  565.196    341.890  463.986    473.134  675.794    494.591  27.749  10.853  31.302  11.336  -3.552565      15.69356  
1 1 1 -12 62  26 o 28.407  9.5672  543.359    348.495  1008.90    480.973  28.840     505.644  37.015  11.109  22.250  10.010  14.76531       14.95363  
1 1 1 -12 62  27 o 17.414  7.9497  -86.4989   333.395  -178.5447  461.388  14.076     482.290  19.281  8.9942  21.411  9.6906  -2.129810      13.22131  
1 1 1 -12 62  28 o 18.104  8.1728  -31.9023   340.542  126.340    479.156  -193.4140  484.080  22.321  9.9127  19.429  9.1114  2.892355       13.46403  
1 1 1 -12 63  1  f 177.727 3.5599  17150.60   685.271  17362.36   969.683  16939.33   968.557  178.592 5.0130  176.393 5.0696  2.199432       7.129590  
1 1 1 -12 63  2  o 93.982  2.7724  4790.99    282.211  4848.72    399.375  4733.41    398.837  94.473  3.9030  93.340  3.9451  1.133347       5.549543  
1 1 1 -12 63  3  o 97.220  2.7722  5126.93    291.908  5012.06    409.296  5245.85    416.436  96.046  3.9345  98.262  3.9128  -2.216309      5.548923  
1 1 1 -12 63  4  o 98.314  2.7387  5243.01    291.625  5402.03    410.805  5081.48    414.056  99.718  3.8036  96.702  3.9532  3.016045       5.485922  
1 1 1 -12 63  5  o 204.577 3.9574  22746.33   876.884  21316.45   1238.57  24183.31   1241.64  197.641 5.7859  210.605 5.4432  -12.96349      7.943908  
1 1 1 -12 63  6  o 295.485 5.2387  47597.69   1676.61  48232.03   2370.73  46962.96   2371.44  296.485 7.3826  292.506 7.4853  3.979828       10.51342  
1 1 1 -12 63  7  o 99.153  4.1062  5347.50    440.982  5050.58    616.462  5658.67    631.079  95.951  5.9613  101.626 5.7570  -5.674927      8.287391  
1 1 1 -12 63  8  o 104.797 2.8977  5961.51    328.906  6013.53    460.898  5907.53    469.508  105.136 4.0475  104.192 4.1604  0.9441986      5.804427  
1 1 1 -12 63  9  o 103.164 2.8289  5777.50    316.089  6280.99    460.066  5327.33    435.020  107.442 3.9534  98.938  4.0595  8.504852       5.666531  
1 1 1 -12 63  10 f 77.590  2.8781  3269.08    241.870  3101.64    346.627  3427.97    337.660  75.338  4.2655  79.362  3.9282  -4.023941      5.798742  
1 1 1 -12 63  11 o 49.148  2.3706  1310.69    126.194  1704.63    266.592  1196.93    143.260  55.736  4.4533  46.861  2.8359  8.875103       5.279583  
1 1 1 -12 63  12 o 93.708  2.9944  4771.65    303.917  4637.79    428.264  4907.45    431.360  92.220  4.2876  94.877  4.1977  -2.656815      6.000340  
1 1 1 -12 63  13 o 41.217  4.3199  937.102    189.985  991.309    263.931  878.812    273.693  42.074  5.9582  39.409  6.6487  2.665718       8.927813  
1 1 1 -12 63  14 f 113.424 3.0809  6997.96    378.493  6700.94    542.510  7279.64    528.314  110.709 4.5243  115.460 4.2246  -4.751511      6.190083  
1 1 1 -12 63  15 o 43.543  4.0720  1044.24    189.812  1193.05    271.665  902.304    265.316  46.265  5.5311  39.951  6.3435  6.313808       8.416257  
1 1 1 -12 63  16 o 55.981  3.6955  1717.61    222.809  1820.83    336.282  1636.84    297.474  57.246  5.4909  54.345  5.1140  2.901756       7.503558  
1 1 1 -12 63  17 o 13.074  5.9370  -103.1157  182.861  -130.3585  271.998  -80.6481   247.012  16.153  7.2971  15.959  7.1009  0.1936989      10.18186  
1 1 1 -12 63  18 f 40.635  2.0316  896.875    89.413   1031.43    289.156  882.649    94.021   42.564  6.4765  40.246  2.1649  2.317844       6.828766  
1 1 1 -12 63  19 o 38.471  4.8834  829.332    198.900  1047.57    297.819  653.618    267.234  42.768  6.6450  33.355  7.5705  9.413269       10.07312  
1 1 1 -12 63  20 o 41.918  4.7970  982.920    213.869  1099.38    338.441  905.501    275.949  43.463  7.4579  39.634  6.6648  3.829445       10.00200  
1 1 1 -12 63  21 o 76.300  3.6589  3197.18    302.377  3494.52    443.735  2939.42    413.153  79.049  5.2119  72.432  5.3032  6.617508       7.435647  
1 1 1 -12 63  22 o 42.788  5.1396  1039.18    233.423  1304.79    381.488  880.221    295.115  46.747  7.8101  38.431  7.3579  8.316280       10.73018  
1 1 1 -12 63  23 o 23.924  8.3008  331.593    262.764  337.448    406.208  327.380    344.564  25.669  10.051  24.733  9.3667  0.9360256      13.73909  
1 1 1 -12 63  24 o 38.862  8.6149  962.607    353.099  1243.38    480.644  633.414    520.441  42.869  10.447  30.993  11.559  11.87633       15.58031  
1 1 1 -12 63  25 o 43.967  7.8819  1210.99    361.554  1351.06    500.901  1058.63    522.407  44.135  10.610  38.010  11.616  6.124729       15.73205  
1 1 1 -12 63  26 o 51.029  7.6644  1635.91    410.521  1210.32    532.509  2259.39    644.527  40.011  11.608  56.377  10.950  -16.36668      15.95745  
1 1 1 -12 63  27 o 43.747  8.2086  1252.06    374.657  1104.75    521.683  1408.96    538.402  37.431  11.636  42.941  11.390  -5.509521      16.28266  
1 1 1 -12 64  1  o 167.969 3.4366  15320.15   625.218  15705.81   884.846  14935.63   883.539  169.851 4.8098  165.613 4.9256  4.238083       6.884483  
1 1 1 -12 64  2  o 193.130 3.8233  20266.94   799.755  20004.48   1131.48  20528.98   1130.57  191.545 5.4539  194.057 5.3790  -2.512711      7.660159  
1 1 1 -12 64  3  o 184.294 3.6608  18450.77   730.724  18501.36   1032.61  18400.03   1034.19  184.260 5.1741  183.750 5.1964  0.5101776      7.333057  
1 1 1 -12 64  4  o 40.129  3.2231  879.830    138.903  928.202    192.190  826.931    200.981  41.075  4.3879  38.661  4.9105  2.414585       6.585325  
1 1 1 -12 64  5  f 122.533 2.9764  8148.95    395.010  8312.81    556.355  7982.39    560.930  123.629 4.1549  121.132 4.2754  2.497185       5.961762  
1 1 1 -12 64  6  f 59.611  2.8170  1928.41    181.880  1891.03    260.020  1964.22    254.503  58.819  4.1072  59.974  3.9399  -1.154457      5.691406  
1 1 1 -12 64  7  o 104.120 4.1499  5899.28    467.990  6132.69    656.054  5657.46    667.777  105.774 5.7481  101.503 6.1025  4.271530       8.383370  
1 1 1 -12 64  8  o 148.623 3.3096  12001.37   532.764  11717.42   754.532  12283.68   752.356  146.602 4.7519  150.128 4.6269  -3.526627      6.632422  
1 1 1 -12 64  9  o 168.818 3.5705  15496.92   652.851  15180.48   885.711  15873.37   966.054  166.786 4.9030  170.459 5.2325  -3.673477      7.170698  
1 1 1 -12 64  10 o 96.361  2.9412  5043.42    306.973  4910.05    432.356  5179.01    435.915  94.932  4.2049  97.508  4.1275  -2.576118      5.892211  
1 1 1 -12 64  11 o 62.279  3.2819  2114.55    220.600  1955.52    308.891  2280.09    315.153  59.648  4.8225  64.488  4.5411  -4.839558      6.624010  
1 1 1 -12 64  12 o 63.492  3.2964  2198.44    225.909  2220.22    316.156  2175.72    322.919  63.594  4.6216  62.921  4.7739  0.6724739      6.644553  
1 1 1 -12 64  13 o 31.449  5.1949  555.869    170.771  480.424    246.299  625.715    236.983  28.899  7.7217  33.065  6.8427  -4.166130      10.31733  
1 1 1 -12 64  14 o 81.555  3.0427  3618.04    268.766  3699.48    382.569  3538.68    377.662  82.174  4.3135  80.354  4.3556  1.819824       6.130064  
1 1 1 -12 64  15 o 89.215  3.1890  4333.57    308.146  4593.74    449.666  4103.22    423.115  91.604  4.5322  86.460  4.5341  5.143570       6.410810  
1 1 1 -12 64  16 o 134.206 3.2549  9815.74    473.131  9878.53    676.814  9755.74    661.660  134.195 4.6565  133.386 4.5799  0.8088226      6.531369  
1 1 1 -12 64  17 o 64.987  3.3820  2310.85    237.225  2377.25    347.428  2252.86    324.699  65.543  4.9301  63.851  4.7287  1.692230       6.831308  
1 1 1 -12 64  18 o 35.298  5.2049  702.181    193.015  652.233    288.976  742.413    259.350  33.265  8.0969  35.832  6.9333  -2.566662      10.65973  
1 1 1 -12 64  19 o 90.589  3.2261  4483.23    316.536  4713.41    469.805  4291.87    428.359  92.318  4.7143  88.164  4.5009  4.153694       6.517825  
1 1 1 -12 64  20 o 39.323  4.9255  868.653    205.180  383.210    309.048  1251.27    274.372  26.327  9.0088  47.125  5.4777  -20.79720      10.54341  
1 1 1 -12 64  21 o 26.340  7.4787  410.706    223.318  536.468    347.093  321.873    291.716  29.920  9.5181  24.529  8.7270  5.390829       12.91338  
1 1 1 -12 64  22 o 15.999  7.1375  -65.1774   251.349  100.356    384.371  -188.8429  332.225  21.931  9.3070  16.981  7.8200  4.950218       12.15612  
1 1 1 -12 64  23 o 24.426  8.4654  351.222    273.257  647.467    443.935  170.512    346.725  31.394  10.795  21.896  9.0313  9.498297       14.07483  
1 1 1 -12 64  24 o 31.611  9.3807  656.795    344.372  674.765    466.350  635.246    510.697  31.568  11.052  30.918  11.466  0.6500473      15.92553  
1 1 1 -12 64  25 o 40.010  7.0172  981.605    292.997  1528.99    494.578  685.611    363.688  47.638  9.9082  31.791  9.6872  15.84692       13.85693  
1 1 1 -12 64  26 o 38.920  8.8254  1008.93    363.464  721.276    501.881  1326.20    527.075  31.250  11.404  42.225  11.301  -10.97503      16.05511  
1 1 1 -12 64  27 o 26.967  9.6020  495.740    353.216  766.453    492.397  208.771    506.966  31.616  11.329  23.735  10.380  7.881130       15.36519  
1 1 1 -12 65  1  o 150.633 3.3285  12321.85   543.052  12942.38   768.895  11704.24   767.091  154.187 4.6042  146.587 4.8315  7.599411       6.673940  
1 1 1 -12 65  2  o 114.568 2.9661  7123.90    368.061  7520.27    521.416  6730.26    519.623  117.595 4.0938  111.222 4.3135  6.373604       5.946858  
1 1 1 -12 65  3  o 88.581  2.6966  4257.24    258.719  4464.51    365.328  4048.70    366.443  90.637  3.7214  86.296  3.9205  4.340584       5.405518  
1 1 1 -12 65  4  o 104.652 2.7240  5942.63    308.766  5560.33    443.593  6301.94    430.045  101.111 4.0506  107.682 3.6872  -6.571411      5.477472  
1 1 1 -12 65  5  o 87.516  2.5094  4154.88    237.867  4152.91    358.758  4156.44    317.753  87.399  3.7899  87.474  3.3538  -0.7407379E-01 5.060757  
1 1 1 -12 65  6  o 87.585  2.8426  4163.86    269.659  4200.66    387.839  4129.41    375.188  87.865  4.0754  87.127  3.9758  0.7384796      5.693485  
1 1 1 -12 65  7  o 165.397 4.9448  14923.03   885.829  15942.76   1260.11  13926.76   1245.52  170.395 6.8278  159.126 7.2267  11.26889       9.942039  
1 1 1 -12 65  8  f 76.258  2.9343  3157.91    242.363  3180.53    345.943  3136.11    339.648  76.308  4.2019  75.779  4.1540  0.5288544      5.908603  
1 1 1 -12 65  9  o 244.617 4.5100  32627.13   1194.91  31553.53   1690.89  33698.12   1688.82  239.674 6.5136  247.802 6.2923  -8.127747      9.056502  
1 1 1 -12 65  10 o 184.266 3.7053  18477.93   739.490  18232.95   1042.51  18726.02   1049.12  182.585 5.2716  185.050 5.2344  -2.465103      7.428916  
1 1 1 -12 65  11 o 37.020  4.4195  758.185    173.704  557.130    234.040  1004.78    259.191  31.171  7.0920  42.422  5.7924  -11.25161      9.156823  
1 1 1 -12 65  12 o 31.697  5.0697  563.321    168.181  602.991    242.894  526.786    233.096  32.413  7.1139  30.264  7.2133  2.149254       10.13110  
1 1 1 -12 65  13 o 94.216  2.9623  4826.76    302.289  4850.01    427.484  4803.50    427.520  94.253  4.1875  93.796  4.2082  0.4567871      5.936713  
1 1 1 -12 65  14 o 75.975  3.1355  3141.42    258.016  2864.41    358.622  3438.69    371.498  72.200  4.6100  79.193  4.3478  -6.993011      6.336845  
1 1 1 -12 65  15 o 150.500 3.3652  12344.06   548.554  12480.42   782.238  12212.12   769.466  150.842 4.7879  149.223 4.7608  1.619537       6.752007  
1 1 1 -12 65  16 o 10.328  4.9446  -216.5992  157.489  -40.4867   226.344  -381.8782  219.272  15.843  6.9323  11.396  5.5468  4.447542       8.878279  
1 1 1 -12 65  17 o 45.960  4.1831  1167.11    205.954  1048.95    307.787  1262.92    277.142  42.827  6.8673  47.498  5.4882  -4.670437      8.790909  
1 1 1 -12 65  18 o 22.945  6.9344  299.275    186.920  436.611    261.697  156.237    267.075  27.435  8.1858  20.704  8.1370  6.730875       11.54201  
1 1 1 -12 65  19 o 89.868  3.1739  4411.67    308.940  4818.64    449.882  4048.49    424.993  93.537  4.4406  85.568  4.6026  7.969414       6.395544  
1 1 1 -12 65  20 o 28.304  6.7178  470.208    202.854  240.886    326.060  615.014    259.102  23.506  9.0602  32.203  7.5583  -8.697546      11.79894  
1 1 1 -12 65  21 o 47.369  4.9849  1264.14    251.918  1280.99    395.362  1252.62    326.864  46.259  8.1908  46.456  6.6891  -0.1968040     10.57507  
1 1 1 -12 65  22 o 56.655  5.0955  1821.82    309.327  1733.96    497.709  1877.11    394.845  52.829  9.0221  56.693  6.5508  -3.863758      11.14954  
1 1 1 -12 65  23 o 53.846  6.7117  1719.30    382.932  1657.15    517.731  1794.38    568.986  50.506  9.8179  52.031  10.459  -1.525055      14.34523  
1 1 1 -12 65  24 o 21.187  8.6751  174.014    317.010  267.371    405.446  27.173     508.491  24.126  9.8368  22.748  10.150  1.377705       14.13450  
1 1 1 -12 65  25 o 31.167  8.3614  633.571    288.109  1011.06    481.418  422.930    359.617  37.282  11.098  26.041  9.6287  11.24039       14.69250  
1 1 1 -12 65  26 o 41.458  8.4616  1126.76    367.093  1084.60    510.703  1171.84    528.026  37.702  11.477  39.091  11.619  -1.388493      16.33212  
1 1 1 -12 65  27 o 35.878  9.2965  893.247    364.195  747.184    505.960  1050.30    524.647  31.227  11.442  36.421  11.714  -5.194597      16.37484  
1 1 1 -12 66  1  o 148.894 3.2586  12040.49   525.514  12863.14   724.429  11126.75   763.485  153.724 4.3509  142.868 4.9339  10.85579       6.578337  
1 1 1 -12 66  2  o 89.894  2.7341  4385.17    266.204  4473.74    383.580  4302.88    369.739  90.702  3.9045  88.959  3.8374  1.742645       5.474551  
1 1 1 -12 66  3  o 86.556  2.7587  4065.77    258.628  4311.53    375.855  3844.76    356.429  89.041  3.8973  84.081  3.9138  4.959320       5.523300  
1 1 1 -12 66  4  o 54.072  2.9424  1591.91    171.673  1434.53    249.458  1733.50    236.617  51.120  4.5531  56.323  3.9028  -5.203667      5.996888  
1 1 1 -12 66  5  o 235.548 4.2741  30206.36   1090.43  31837.11   1544.91  28587.44   1539.30  241.242 5.9126  228.476 6.2203  12.76595       8.582048  
1 1 1 -12 66  6  o 132.874 3.1378  9589.90    451.574  9584.06    644.558  9595.53    632.848  132.628 4.4870  132.722 4.4024  -0.9432983E-01 6.286030  
1 1 1 -12 66  7  o 165.944 4.2699  14999.47   767.441  14934.83   886.982  15191.96   1530.66  165.422 4.9505  165.359 8.5758  0.6324768E-01  9.902119  
1 1 1 -12 66  8  o 32.677  4.6987  594.182    161.515  563.687    224.311  627.017    232.757  31.435  6.7870  33.203  6.7033  -1.767820      9.539238  
1 1 1 -12 66  9  o 116.784 2.9941  7409.20    378.715  7322.64    535.879  7495.57    535.290  115.912 4.2684  117.282 4.2139  -1.370155      5.998067  
1 1 1 -12 66  10 o 75.056  3.0216  3061.32    245.634  3084.22    340.743  3036.54    354.418  75.100  4.2060  74.479  4.4132  0.6210022      6.096461  
1 1 1 -12 66  11 o 41.892  3.9091  964.506    175.319  986.227    246.816  942.385    249.078  42.058  5.5541  41.052  5.7603  1.005661       8.001824  
1 1 1 -12 66  12 o 44.147  4.0520  1071.99    191.589  1072.43    285.090  1071.64    258.721  43.715  6.1945  43.843  5.5744  -0.1272774     8.333377  
1 1 1 -12 66  13 o 17.320  6.3599  133.537    156.452  186.830    203.106  55.776     245.342  20.037  7.2632  18.280  7.5732  1.757563       10.49323  
1 1 1 -12 66  14 o 26.013  5.9014  387.583    162.453  414.967    223.914  357.149    236.053  26.877  7.4391  25.265  7.8230  1.611382       10.79535  
1 1 1 -12 66  15 o 91.169  3.0438  4525.81    300.564  4309.10    429.109  4734.54    421.126  88.568  4.4879  93.025  4.1797  -4.456047      6.132753  
1 1 1 -12 66  16 o 65.420  3.4052  2341.64    240.445  2382.82    335.354  2298.08    344.928  65.683  4.7459  64.434  4.9812  1.249023       6.880080  
1 1 1 -12 66  17 o 21.405  6.9732  250.010    185.530  -122.9707  291.464  504.087    240.561  16.869  7.5934  29.361  7.5288  -12.49155      10.69306  
1 1 1 -12 66  18 o 38.877  4.8157  845.894    198.441  883.992    291.903  813.159    270.583  39.048  7.1660  37.493  6.9181  1.554932       9.960519  
1 1 1 -12 66  19 o 54.419  3.8147  1632.12    223.424  1765.38    327.152  1515.65    305.859  56.117  5.4513  51.937  5.5219  4.180618       7.759375  
1 1 1 -12 66  20 o 63.774  4.1257  2250.78    283.451  2584.28    472.590  2063.40    354.241  67.294  6.5677  60.562  5.4591  6.731964       8.540260  
1 1 1 -12 66  21 o 32.419  7.3408  631.030    251.770  569.898    358.346  690.623    353.810  30.427  9.6703  33.241  9.4049  -2.813143      13.48954  
1 1 1 -12 66  22 o 51.386  6.6545  1556.51    361.662  1727.93    477.808  1326.54    553.415  52.791  8.6567  43.987  11.490  8.803921       14.38619  
1 1 1 -12 66  23 o 96.877  4.9364  5327.10    516.249  4902.71    706.928  5812.05    755.681  90.549  7.2694  98.824  7.1075  -8.275742      10.16664  
1 1 1 -12 66  24 o 66.536  4.4746  2508.03    320.589  2433.35    490.009  2563.92    423.903  63.326  7.2764  66.156  5.9806  -2.830059      9.418788  
1 1 1 -12 66  25 o 44.996  7.9917  1284.61    375.211  1372.40    514.057  1184.51    548.912  43.820  10.881  39.523  11.869  4.297283       16.10212  
1 1 1 -12 66  26 f 24.958  9.4095  390.289    346.740  340.579    483.557  442.900    497.468  25.247  10.560  26.740  10.899  -1.492573      15.17555  
1 1 1 -12 66  27 o 24.162  9.3347  354.204    346.730  214.146    482.885  503.271    498.174  23.528  10.213  27.430  11.004  -3.902004      15.01280  
1 1 1 -12 67  1  o 26.268  4.0805  384.238    112.325  298.445    172.879  446.915    147.765  23.054  6.5921  28.211  5.0200  -5.156349      8.285896  
1 1 1 -12 67  2  o 32.566  3.5783  583.345    124.135  562.757    184.283  600.447    167.958  31.637  5.5819  32.836  4.8702  -1.198795      7.407873  
1 1 1 -12 67  3  o 60.080  2.8946  1959.62    188.361  1784.93    274.774  2114.48    258.716  57.069  4.4814  62.232  3.8573  -5.162498      5.912815  
1 1 1 -12 67  4  o 165.732 3.5586  14931.58   638.795  15054.83   945.943  14828.24   866.112  166.042 5.2599  164.890 4.8496  1.152298       7.154391  
1 1 1 -12 67  5  o 44.484  3.4119  1081.76    163.137  1264.56    229.663  895.575    231.774  47.970  4.4718  40.120  5.4769  7.850212       7.070627  
1 1 1 -12 67  6  o 93.615  3.3792  4763.47    342.637  4596.06    625.360  4835.28    409.588  91.318  6.3624  94.247  4.0124  -2.929070      7.521990  
1 1 1 -12 67  7  o 57.302  3.7067  1793.71    228.819  1805.75    294.058  1775.24    364.310  57.332  4.7791  56.603  6.0355  0.7293243      7.698499  
1 1 1 -12 67  8  o 31.460  4.6424  551.383    153.434  315.028    223.543  761.917    210.979  24.055  7.6370  36.937  5.4362  -12.88185      9.374284  
1 1 1 -12 67  9  o 105.220 2.9748  6015.40    339.016  5909.75    476.694  6123.54    482.236  104.117 4.2272  105.988 4.2008  -1.870895      5.959498  
1 1 1 -12 67  10 f 102.085 2.9588  5663.49    327.152  5663.68    462.592  5663.30    462.735  101.907 4.1911  101.903 4.1925  0.3631592E-02  5.928093  
1 1 1 -12 67  11 o 63.101  3.1354  2165.58    214.288  2088.87    301.696  2243.68    304.421  61.665  4.5493  63.945  4.4225  -2.280289      6.344649  
1 1 1 -12 67  12 o 113.576 3.0832  7016.52    379.276  6885.76    535.695  7147.94    537.061  112.256 4.4059  114.390 4.3348  -2.133476      6.180821  
1 1 1 -12 67  13 o 138.911 3.2590  10505.75   490.330  10937.28   700.909  10092.16   686.187  141.369 4.5776  135.770 4.6663  5.599319       6.536684  
1 1 1 -12 67  14 o 97.935  3.0680  5221.36    325.438  5236.49    468.694  5207.28    452.225  97.801  4.4246  97.562  4.2796  0.2391968      6.155651  
1 1 1 -12 67  15 o 57.445  3.5669  1807.90    220.831  1862.06    304.893  1748.14    320.279  58.011  4.8983  56.084  5.3369  1.927635       7.244016  
1 1 1 -12 67  16 o 63.780  3.4498  2227.26    237.431  2430.87    350.069  2053.81    323.107  66.280  4.9114  60.886  4.9423  5.394432       6.967607  
1 1 1 -12 67  17 o 85.586  3.1718  3997.34    294.017  4077.21    428.158  3926.07    404.458  85.953  4.6160  84.399  4.4401  1.553482       6.404846  
1 1 1 -12 67  18 o 79.341  3.3211  3440.43    285.398  2949.24    408.957  3906.75    398.473  72.799  5.2213  84.153  4.3870  -11.35450      6.819638  
1 1 1 -12 67  19 o 83.182  2.9481  3777.92    265.610  3886.19    480.457  3730.26    318.747  83.437  5.3446  82.501  3.5671  0.9359741      6.425694  
1 1 1 -12 67  20 o 68.329  4.0772  2584.77    300.372  2840.20    429.941  2341.24    419.820  70.949  5.6415  64.149  6.1164  6.799850       8.320877  
1 1 1 -12 67  21 o 19.855  8.3591  81.956     306.127  319.014    396.810  -266.5565  481.132  25.572  9.9561  20.066  9.3004  5.505650       13.62433  
1 1 1 -12 67  22 o 53.125  7.1157  1685.39    399.147  1889.33    565.138  1482.39    563.822  53.987  10.034  46.606  11.289  7.380554       15.10374  
1 1 1 -12 67  23 o 59.614  4.9228  2026.16    315.016  2134.65    496.338  1952.98    407.642  58.930  7.9816  57.342  6.6893  1.588631       10.41405  
1 1 1 -12 67  24 o 33.118  8.0018  698.455    283.820  753.304    448.703  661.874    366.440  32.799  10.852  31.348  9.7536  1.450722       14.59115  
1 1 1 -12 67  25 o 21.381  8.9068  178.477    342.023  317.829    453.634  -5.0881    520.649  24.956  10.315  22.159  10.045  2.796562       14.39827  
1 1 1 -12 67  26 o 55.191  6.7783  1867.96    396.671  1873.48    557.059  1862.28    564.980  51.569  10.333  51.155  10.547  0.4131584      14.76581  
1 1 1 -12 68  1  o 149.796 3.3326  12193.50   540.697  11936.01   760.060  12457.32   769.346  147.947 4.7432  151.153 4.6993  -3.205887      6.676944  
1 1 1 -12 68  2  o 151.797 3.1796  12517.62   522.757  12503.45   735.703  12532.07   742.931  151.477 4.4842  151.642 4.5233  -0.1650391     6.369349  
1 1 1 -12 68  3  o 93.869  2.8384  4783.84    288.583  4877.23    405.242  4687.75    411.055  94.669  3.9522  92.796  4.0898  1.873154       5.687382  
1 1 1 -12 68  4  o 51.350  3.2044  1438.17    177.328  1396.65    250.990  1479.55    250.571  50.400  4.6503  51.910  4.5012  -1.510124      6.471934  
1 1 1 -12 68  5  o 36.014  3.8283  713.627    147.044  825.828    207.024  599.392    208.891  38.564  5.0801  32.550  6.1505  6.013851       7.977187  
1 1 1 -12 68  6  o 36.193  7.3796  747.529    279.480  901.616    383.563  573.130    408.061  39.495  9.1466  32.225  10.328  7.269581       13.79560  
1 1 1 -12 68  7  o 124.065 3.0997  8363.74    416.519  8555.88    591.568  8174.85    586.557  125.277 4.3598  122.444 4.4229  2.833199       6.210420  
1 1 1 -12 68  8  o 11.564  1.7855  74.204     21.643   47.565     197.934  74.526     21.773   16.559  6.8262  11.589  1.7926  4.970731       7.057641  
1 1 1 -12 68  9  o 85.639  2.9661  3985.57    275.124  3681.72    386.005  4299.31    392.237  82.031  4.3602  88.808  4.0778  -6.777237      5.969905  
1 1 1 -12 68  10 f 176.787 3.8203  17031.09   731.500  16609.52   987.459  17543.79   1088.97  174.112 5.2362  178.783 5.6237  -4.671005      7.683995  
1 1 1 -12 68  11 o 123.751 3.1091  8329.76    416.728  8318.06    585.112  8341.81    593.664  123.401 4.3777  123.563 4.4359  -0.1618347     6.232338  
1 1 1 -12 68  12 o 117.851 3.0639  7555.93    391.093  7700.84    557.495  7415.52    548.786  118.706 4.3361  116.483 4.3498  2.223167       6.141882  
1 1 1 -12 68  13 o 87.335  3.0188  4150.71    285.553  4189.44    409.707  4114.12    398.205  87.520  4.3221  86.746  4.2383  0.7739029      6.053384  
1 1 1 -12 68  14 o 73.356  3.3294  2933.06    264.529  2874.36    383.414  2986.38    365.434  72.180  4.9339  73.666  4.6031  -1.485863      6.747740  
1 1 1 -12 68  15 o 21.271  6.8183  247.948    177.854  58.858     270.868  391.256    235.808  19.028  7.9265  26.144  7.7634  -7.115814      11.09502  
1 1 1 -12 68  16 o 53.247  3.7503  1558.28    214.903  1621.98    312.950  1501.43    295.628  53.907  5.4341  51.872  5.3381  2.034119       7.617374  
1 1 1 -12 68  17 o 88.770  2.8944  4295.80    278.290  4056.19    456.041  4437.97    351.277  85.586  4.9406  90.064  3.6010  -4.478348      6.113719  
1 1 1 -12 68  18 o 88.671  3.2561  4296.69    312.716  4476.82    467.124  4150.39    420.964  89.912  4.8142  86.684  4.4992  3.227310       6.589309  
1 1 1 -12 68  19 o 32.303  1.0681  565.735    37.370   110.171    271.667  574.522    37.728   19.769  8.0553  32.552  1.0701  -12.78362      8.126050  
1 1 1 -12 68  20 o 31.989  9.4555  632.745    350.423  533.206    499.234  729.417    491.991  30.609  11.339  34.043  11.368  -3.434460      16.05657  
1 1 1 -12 68  21 o 37.003  8.5216  853.197    334.478  1057.58    440.302  574.310    514.326  40.337  10.100  30.747  11.486  9.590271       15.29534  
1 1 1 -12 68  22 o 49.444  5.3786  1405.87    283.396  1207.16    417.327  1575.92    386.061  43.499  9.1479  51.306  7.1410  -7.806408      11.60506  
1 1 1 -12 68  23 o 25.588  8.5055  404.497    275.517  337.224    390.937  470.886    388.357  25.141  9.8560  27.554  10.035  -2.413244      14.06561  
1 1 1 -12 68  24 o 33.934  7.9783  735.070    288.299  609.095    458.295  817.569    370.874  29.928  10.901  34.770  9.5537  -4.842703      14.49490  
1 1 1 -12 68  25 o 18.961  8.3323  32.201     330.132  58.528     427.736  -6.5894    519.200  21.218  9.3970  22.067  10.014  -0.8486671     13.73269  
1 1 1 -12 68  26 o 23.816  9.2076  333.283    337.539  332.612    449.687  334.149    510.844  24.849  10.271  25.435  10.758  -0.5855236     14.87340  
1 1 1 -12 69  1  o 51.602  3.2879  1452.89    182.803  1492.06    247.412  1405.80    271.278  52.140  4.4227  50.499  5.0266  1.641098       6.695292  
1 1 1 -12 69  2  o 117.749 3.0803  7531.65    392.844  6834.36    547.579  8271.17    563.912  111.968 4.5153  123.227 4.2251  -11.25912      6.183769  
1 1 1 -12 69  3  o 65.381  2.5355  2319.84    179.553  2335.72    214.142  2282.25    329.494  65.576  3.0150  64.508  4.7493  1.067619       5.625461  
1 1 1 -12 69  4  o 164.613 3.4411  14732.62   613.532  14664.82   866.029  14800.94   869.312  163.909 4.8782  164.669 4.8741  -0.7600555     6.895898  
1 1 1 -12 69  5  o 80.681  2.5252  3532.89    220.667  3277.26    354.477  3694.63    281.963  77.440  4.2424  82.457  3.1572  -5.016685      5.288214  
1 1 1 -12 69  6  o 33.251  8.0539  636.395    286.983  784.638    377.960  434.572    441.005  36.795  9.4380  29.833  10.718  6.962385       14.28103  
1 1 1 -12 69  7  o 22.205  6.2541  278.259    156.824  257.229    230.994  296.241    213.592  22.557  7.7853  23.370  7.4700  -0.8125973     10.78940  
1 1 1 -12 69  8  o 19.525  1.2699  207.452    26.710   78.469     209.572  209.582    26.929   17.623  7.1133  19.625  1.2738  -2.002087      7.226441  
1 1 1 -12 69  9  o 109.581 3.0038  6527.72    356.512  6050.56    505.158  7001.22    503.215  105.266 4.4307  113.301 4.1006  -8.034775      6.037056  
1 1 1 -12 69  10 o 67.036  2.4418  2440.07    177.291  2191.97    314.905  2555.20    214.519  63.155  4.6360  68.563  2.8887  -5.407932      5.462353  
1 1 1 -12 69  11 o 84.821  2.9759  3912.59    273.399  3885.74    387.161  3939.30    386.129  84.241  4.2570  84.935  4.1973  -0.6938019     5.978287  
1 1 1 -12 69  12 o 11.341  5.2473  -124.3404  152.158  -200.4463  223.321  -58.3973   207.876  13.467  6.2739  14.879  6.5722  -1.411635      9.085973  
1 1 1 -12 69  13 f 32.624  5.4329  600.806    185.219  787.028    259.140  406.316    264.831  37.131  6.6897  26.832  8.2825  10.29857       10.64670  
1 1 1 -12 69  14 o 31.221  5.4993  552.731    179.168  562.564    263.001  544.216    244.745  31.057  7.8226  30.589  7.4551  0.4681091      10.80612  
1 1 1 -12 69  15 o 28.997  6.3835  485.186    195.058  452.148    283.353  514.945    268.919  28.059  8.5508  29.691  8.1258  -1.631420      11.79594  
1 1 1 -12 69  16 o 47.360  3.9943  1237.64    202.980  1210.02    293.996  1262.79    280.587  46.293  6.0050  47.439  5.5667  -1.146271      8.188243  
1 1 1 -12 69  17 o 66.187  2.6346  2385.75    188.865  2247.30    391.110  2427.85    215.679  63.330  5.7650  66.716  2.9848  -3.385307      6.491840  
1 1 1 -12 69  18 o 81.767  3.4681  3660.50    307.146  3945.46    444.256  3399.56    425.116  84.309  4.8860  78.175  5.0477  6.134010       7.025139  
1 1 1 -12 69  19 o 29.230  1.8200  466.149    57.334   727.547    312.808  457.062    58.322   34.706  8.4098  28.937  1.8709  5.769133       8.615348  
1 1 1 -12 69  20 o 62.700  5.6669  2237.97    380.684  2573.60    509.653  1814.38    572.557  66.312  7.2123  53.586  10.238  12.72633       12.52364  
1 1 1 -12 69  21 o 41.548  7.3029  1040.01    316.639  948.292    398.525  1197.03    521.451  38.300  9.6199  41.975  11.244  -3.675602      14.79746  
1 1 1 -12 69  22 o 17.271  7.4334  27.138     251.508  -177.7497  367.059  208.464    345.310  17.834  8.2154  22.481  9.1110  -4.646473      12.26796  
1 1 1 -12 69  23 o 56.821  5.0215  1850.23    305.860  1617.83    461.289  2032.57    408.591  50.434  8.7626  58.480  6.5641  -8.045532      10.94853  
1 1 1 -12 69  24 f 26.833  9.4497  463.204    341.193  528.710    448.958  373.649    524.943  28.416  10.708  26.612  11.056  1.803598       15.39167  
1 1 1 -12 69  25 o 31.264  9.5305  676.609    351.963  731.165    463.847  602.567    540.374  31.569  11.024  29.359  11.563  2.209558       15.97627  
1 1 1 -12 69  26 o 20.303  8.6568  126.919    335.363  208.499    448.548  23.510     505.006  23.181  9.9510  21.954  9.9280  1.227507       14.05658  
1 1 1 -12 70  1  o 96.007  2.9007  5005.98    301.635  4950.17    423.047  5063.70    430.196  95.334  4.0970  96.418  4.1194  -1.084000      5.809937  
1 1 1 -12 70  2  o 79.350  2.6467  3418.00    227.464  3338.01    287.750  3551.24    371.387  78.356  3.3906  80.617  4.2686  -2.260849      5.451301  
1 1 1 -12 70  3  o 54.574  3.4484  1625.93    202.785  1547.62    277.341  1715.88    297.255  53.020  4.8844  55.836  4.9671  -2.815701      6.966357  
1 1 1 -12 70  4  o 150.741 3.2750  12352.32   534.707  12623.58   753.822  12077.62   758.581  152.113 4.5754  148.755 4.7083  3.357986       6.565224  
1 1 1 -12 70  5  o 139.377 3.1757  10558.73   479.403  10608.62   674.502  10507.79   681.508  139.457 4.4655  138.777 4.5340  0.6797791      6.363832  
1 1 1 -12 70  6  o 117.965 4.3612  7590.30    557.224  8048.45    800.269  7159.13    776.344  120.904 6.1313  113.954 6.3148  6.950127       8.801622  
1 1 1 -12 70  7  o 15.179  5.8569  83.092     136.368  127.536    206.784  48.889     181.406  18.664  7.2093  15.976  6.5544  2.688177       9.743369  
1 1 1 -12 70  8  o 58.148  3.2791  1845.12    205.674  1910.99    289.606  1778.09    292.144  58.973  4.5697  56.831  4.7908  2.141716       6.620740  
1 1 1 -12 70  9  o 24.591  5.8193  345.451    152.580  346.008    222.686  344.958    209.481  24.884  7.5797  24.743  7.3099  0.1411152      10.53022  
1 1 1 -12 70  10 o 40.390  4.1806  899.887    180.239  792.695    249.057  1017.76    261.168  37.415  6.3743  42.647  5.8049  -5.231205      8.621435  
1 1 1 -12 70  11 o 57.595  3.3065  1812.03    205.402  1750.64    292.869  1871.45    288.153  56.329  4.8476  58.305  4.6004  -1.976337      6.682989  
1 1 1 -12 70  12 o 71.916  3.1497  2815.85    245.333  2713.07    339.881  2927.65    354.485  70.260  4.4898  72.991  4.5059  -2.731842      6.360955  
1 1 1 -12 70  13 o 90.202  3.0331  4430.23    296.329  4480.92    425.759  4382.62    412.691  90.460  4.3455  89.482  4.2582  0.9780731      6.084013  
1 1 1 -12 70  14 o 109.945 3.0526  6585.54    363.512  6168.51    510.829  7013.38    517.400  106.051 4.4472  113.151 4.2218  -7.100182      6.132000  
1 1 1 -12 70  15 o 61.349  3.3863  2060.90    224.140  2004.13    319.504  2115.91    314.517  60.120  4.9507  61.846  4.7312  -1.725471      6.847889  
1 1 1 -12 70  16 o 53.964  3.8276  1602.70    222.270  1429.02    328.702  1749.02    301.704  50.292  6.1633  56.074  5.0208  -5.781326      7.949543  
1 1 1 -12 70  17 o 106.541 3.0257  6194.21    349.153  6170.25    529.515  6212.64    464.417  105.800 4.6209  106.386 4.0304  -0.5864105     6.131609  
1 1 1 -12 70  18 o 18.539  7.0050  149.007    192.435  227.443    275.772  74.567     268.656  22.270  8.3926  19.050  7.9113  3.219950       11.53361  
1 1 1 -12 70  19 o 28.944  7.3980  501.053    232.804  498.058    303.713  505.320    362.504  28.782  8.8673  29.189  9.7579  -0.4069309     13.18506  
1 1 1 -12 70  20 o 40.041  7.9721  976.108    333.585  691.547    437.345  1371.97    515.830  32.806  10.707  45.919  10.588  -13.11301      15.05815  
1 1 1 -12 70  21 o 70.559  4.0994  2782.07    311.937  3011.98    448.926  2567.44    433.757  72.350  5.7770  66.555  6.0845  5.795105       8.390148  
1 1 1 -12 70  22 o 36.137  7.1692  795.921    270.698  906.045    397.150  700.368    369.944  37.023  9.7640  32.605  9.7335  4.418129       13.78680  
1 1 1 -12 70  23 o 57.819  5.1951  1926.18    321.869  2226.91    517.429  1736.36    411.085  59.686  8.2223  53.372  7.3028  6.313900       10.99712  
1 1 1 -12 70  24 o 44.720  7.9415  1265.23    370.564  995.294    492.130  1618.67    563.130  36.774  11.281  47.534  11.133  -10.75941      15.84944  
1 1 1 -12 70  25 o 45.679  7.8835  1328.34    375.946  1462.16    503.437  1159.65    565.251  45.467  10.443  38.401  12.139  7.065765       16.01292  
1 1 1 -12 71  1  o 20.941  1.5972  239.091    35.953   234.168    36.607   373.302    191.127  20.719  1.6448  25.589  6.7854  -4.870428      6.981878  
1 1 1 -12 71  2  o 71.157  2.5826  2748.71    199.041  2765.54    335.256  2739.55    247.352  71.082  4.3759  70.991  3.2169  0.9088135E-01  5.431105  
1 1 1 -12 71  3  o 96.682  3.0152  5079.02    315.742  5014.34    443.876  5145.27    449.225  95.903  4.2733  97.147  4.2694  -1.244545      6.040563  
1 1 1 -12 71  4  f 113.558 3.0769  7008.41    378.440  6663.27    531.566  7363.14    538.900  110.514 4.4409  116.203 4.2817  -5.689102      6.168846  
1 1 1 -12 71  5  o 29.050  5.6043  477.816    169.949  436.020    232.599  525.682    248.918  27.625  7.5558  30.238  7.6070  -2.612753      10.72179  
1 1 1 -12 71  6  o 76.646  3.6764  3198.79    305.200  3047.32    359.040  3593.31    579.443  74.583  4.4651  80.464  6.7100  -5.880722      8.059843  
1 1 1 -12 71  7  o 39.342  4.1150  853.158    172.751  726.626    245.701  976.857    242.935  35.769  6.5847  41.864  5.4901  -6.095013      8.573206  
1 1 1 -12 71  8  o 83.097  2.9437  3753.58    264.938  3836.37    378.373  3673.94    371.091  83.851  4.1662  81.948  4.1950  1.903244       5.912311  
1 1 1 -12 71  9  o 160.305 3.4372  13991.86   596.791  13620.07   842.197  14366.84   845.794  157.712 4.9303  162.018 4.8198  -4.305420      6.894861  
1 1 1 -12 71  10 o 45.721  3.7082  1146.96    182.053  1259.68    261.607  1041.12    253.507  47.657  5.1501  43.187  5.5479  4.469967       7.569846  
1 1 1 -12 71  11 o 39.034  4.1557  841.789    172.995  794.421    230.400  903.006    261.925  37.541  5.8576  39.977  6.2541  -2.435719      8.568873  
1 1 1 -12 71  12 o 44.514  3.8348  1089.85    183.086  999.182    257.858  1182.03    260.000  42.182  5.7972  46.062  5.3086  -3.879749      7.860574  
1 1 1 -12 71  13 o 48.537  3.8758  1295.69    202.053  1239.92    274.859  1361.26    298.037  47.109  5.4898  49.337  5.6810  -2.228069      7.900113  
1 1 1 -12 71  14 o 45.402  4.1393  1138.16    201.312  1139.75    296.315  1136.80    274.349  44.890  6.2652  44.975  5.7646  -0.8487320E-01 8.513705  
1 1 1 -12 71  15 o 56.838  3.5320  1772.34    216.360  1594.55    308.008  1945.52    303.989  53.433  5.3960  59.255  4.7772  -5.821133      7.206800  
1 1 1 -12 71  16 o 134.444 3.2966  9872.96    480.037  10109.93   686.275  9645.94    671.709  135.463 4.6774  132.313 4.6871  3.149719       6.621752  
1 1 1 -12 71  17 f 91.024  2.8808  4520.26    284.011  4656.51    458.449  4435.40    361.800  91.743  4.6286  89.947  3.7137  1.796577       5.934294  
1 1 1 -12 71  18 o 98.205  4.4300  5330.68    471.202  4563.88    643.813  6215.29    691.502  89.503  6.6896  104.931 6.1109  -15.42767      9.060585  
1 1 1 -12 71  19 o 32.703  7.9089  649.023    277.071  769.139    412.975  550.697    373.645  34.812  10.258  30.070  9.9007  4.742264       14.25635  
1 1 1 -12 71  20 o 52.279  4.8696  1547.99    272.560  1371.25    391.355  1714.47    379.819  47.563  7.8722  54.080  6.6228  -6.517097      10.28752  
1 1 1 -12 71  21 f 74.844  4.2753  3139.65    345.137  2889.33    497.771  3371.41    478.966  70.158  6.6292  76.482  5.8257  -6.324844      8.825296  
1 1 1 -12 71  22 o 19.310  7.8725  132.030    259.652  27.749     384.108  219.781    352.352  20.504  8.9995  22.682  9.1996  -2.178593      12.86950  
1 1 1 -12 71  23 o 45.665  6.3175  1243.66    304.091  1790.93    487.540  895.184    389.040  52.826  8.8329  36.415  9.6927  16.41133       13.11368  
1 1 1 -12 71  24 o 50.318  7.6971  1586.36    406.155  1756.45    509.426  1289.60    672.879  51.239  9.5300  39.498  13.294  11.74088       16.35701  
1 1 1 -12 71  25 o 20.915  8.7972  157.737    338.547  188.742    448.674  116.747    515.887  23.060  9.9266  23.175  10.289  -0.1158733     14.29698  
1 1 1 -12 72  1  o 62.733  3.0227  2138.81    205.379  2219.71    288.868  2056.11    292.057  63.666  4.2130  61.227  4.4341  2.438816       6.116409  
1 1 1 -12 72  2  o 103.398 2.9817  5809.88    333.927  5852.93    466.197  5764.51    478.531  103.611 4.1542  102.802 4.2977  0.8098297      5.977314  
1 1 1 -12 72  3  o 147.577 3.3122  11845.63   529.425  12069.77   747.252  11619.71   750.198  148.658 4.6410  145.830 4.7496  2.827087       6.640597  
1 1 1 -12 72  4  o 86.214  2.7532  4037.58    257.095  3781.19    406.260  4208.85    332.042  83.096  4.5310  87.943  3.4859  -4.847130      5.716814  
1 1 1 -12 72  5  o 63.405  3.9347  2199.30    268.880  1803.33    471.409  2390.24    327.349  56.474  7.9250  65.991  4.6089  -9.516510      9.167719  
1 1 1 -12 72  6  o 112.238 3.0203  6848.36    367.168  6871.55    504.646  6822.29    535.209  112.237 4.1513  111.780 4.4207  0.4570236      6.064281  
1 1 1 -12 72  7  o 118.130 3.0586  7587.99    391.335  7513.79    556.391  7660.63    550.518  117.301 4.3793  118.462 4.2907  -1.160362      6.130916  
1 1 1 -12 72  8  o 82.726  3.0547  3721.90    273.704  3568.01    384.878  3879.36    389.312  80.693  4.4205  84.179  4.2841  -3.486099      6.155873  
1 1 1 -12 72  9  o 31.992  1.8913  557.151    65.244   666.827    220.753  546.654    68.295   34.281  6.1724  31.678  2.0008  2.602901       6.488598  
1 1 1 -12 72  10 o 61.866  3.2892  2090.07    219.609  2469.92    307.070  1692.38    314.202  67.092  4.2476  55.257  5.3155  11.83438       6.804162  
1 1 1 -12 72  11 o 17.076  6.3646  124.831    157.744  156.976    239.080  100.049    209.922  20.158  7.7615  18.043  7.1749  2.114964       10.56977  
1 1 1 -12 72  12 o 76.090  3.1771  3154.56    261.837  3263.61    372.231  3047.74    368.386  77.039  4.4803  74.410  4.5934  2.629036       6.416590  
1 1 1 -12 72  13 o 150.675 3.3601  12384.66   548.363  11988.90   776.612  12778.17   774.397  147.666 4.8557  152.527 4.6876  -4.861252      6.749169  
1 1 1 -12 72  14 o 59.849  3.6235  1964.83    233.777  1900.26    332.674  2027.82    328.584  58.427  5.3151  60.443  5.0658  -2.016521      7.342537  
1 1 1 -12 72  15 o 70.941  3.3338  2748.56    256.154  3010.93    378.063  2525.89    348.279  73.784  4.7561  67.544  4.7918  6.240105       6.751424  
1 1 1 -12 72  16 o 47.047  4.1043  1224.19    207.047  1190.72    294.367  1256.96    291.274  45.832  6.0800  47.194  5.8217  -1.362000      8.417752  
1 1 1 -12 72  17 o 56.698  5.0242  1795.76    305.342  1469.68    429.071  2130.34    434.621  49.979  8.2115  61.117  6.6742  -11.13746      10.58177  
1 1 1 -12 72  18 o 77.504  4.3162  3333.28    360.885  3265.80    491.651  3412.12    531.401  75.854  6.0342  77.323  6.4027  -1.469948      8.798083  
1 1 1 -12 72  19 o 79.459  3.5625  3481.76    306.596  3674.99    465.695  3333.93    407.327  80.565  5.3676  76.996  4.9100  3.569702       7.274496  
1 1 1 -12 72  20 o 45.189  5.7111  1180.52    273.286  1246.32    422.043  1133.02    358.625  44.474  9.0690  43.026  7.9897  1.448170       12.08647  
1 1 1 -12 72  21 o 75.543  4.0641  3190.64    331.303  3365.63    488.636  3041.75    450.724  76.243  5.9647  72.607  5.7793  3.636543       8.305305  
1 1 1 -12 72  22 o 13.920  6.5257  -202.5052  247.937  -240.0498  357.705  -167.7889  343.969  16.868  7.8853  17.222  7.9403  -0.3542805     11.19049  
1 1 1 -12 72  23 o 43.515  8.7156  1224.33    396.457  1446.85    572.557  1019.37    549.504  44.457  11.723  36.868  12.000  7.588848       16.77611  
1 1 1 -12 72  24 o 17.023  7.9582  -214.3277  364.347  293.609    529.373  -671.5092  502.228  25.421  10.859  16.960  8.2856  8.461487       13.65871  
1 1 1 -12 72  25 o 18.806  8.3161  15.636     333.762  148.532    444.963  -155.3227  504.678  22.538  9.7932  20.478  9.5034  2.059767       13.64631  
1 1 1 -12 73  1  o 64.832  3.0039  2284.66    210.934  2424.74    297.265  2142.60    299.357  66.553  4.1444  62.492  4.4519  4.061119       6.082396  
1 1 1 -12 73  2  o 137.112 3.2606  10225.50   484.225  10311.56   680.774  10137.38   688.895  137.399 4.5746  136.209 4.6696  1.189697       6.536925  
1 1 1 -12 73  3  o 50.750  3.6086  1409.27    197.065  1766.29    283.695  1076.37    273.945  56.669  4.6634  43.888  5.9135  12.78067       7.531060  
1 1 1 -12 73  4  o 144.592 3.2734  11372.95   512.643  11170.93   722.907  11577.32   727.085  142.972 4.6683  145.566 4.6117  -2.593231      6.562050  
1 1 1 -12 73  5  o 26.298  1.4893  376.092    42.247   221.988    365.804  378.175    42.532   24.535  9.5573  26.371  1.4952  -1.836187      9.673553  
1 1 1 -12 73  6  o 72.686  3.1772  2873.89    250.134  2735.13    346.729  3024.48    361.200  70.602  4.5586  74.266  4.5118  -3.664619      6.413827  
1 1 1 -12 73  7  o 124.723 3.1122  8461.61    420.417  8514.77    594.822  8408.56    594.296  124.839 4.3991  124.052 4.4231  0.7869873      6.238311  
1 1 1 -12 73  8  o 44.766  4.0604  1102.64    194.733  1191.27    272.694  1010.40    278.177  46.243  5.5558  42.370  6.2492  3.872303       8.361772  
1 1 1 -12 73  9  o 96.575  3.0506  5074.87    319.091  5376.96    448.855  4766.22    453.710  99.202  4.1775  93.335  4.4881  5.867226       6.131439  
1 1 1 -12 73  10 o 97.975  3.0240  5224.21    320.898  5300.31    455.016  5148.90    452.630  98.445  4.2674  97.020  4.3074  1.425171       6.063365  
1 1 1 -12 73  11 o 50.748  3.8866  1415.09    212.007  1301.64    309.570  1515.30    290.941  48.152  6.0706  52.234  5.2122  -4.082012      8.001168  
1 1 1 -12 73  12 o 17.875  6.5124  147.229    163.584  257.600    246.613  60.510     218.598  22.677  8.0288  17.434  7.1787  5.243305       10.77009  
1 1 1 -12 73  13 f 68.338  3.3689  2548.70    249.361  2406.06    353.817  2689.46    351.493  65.918  4.9927  69.803  4.6762  -3.885010      6.840601  
1 1 1 -12 73  14 o 129.807 3.2488  9196.06    456.771  9061.50    653.470  9324.63    638.726  128.313 4.7020  130.239 4.5280  -1.925537      6.527740  
1 1 1 -12 73  15 o 67.264  3.3565  2471.79    244.535  2470.01    349.559  2473.49    342.209  66.751  4.8685  66.833  4.7586  -0.8186340E-01 6.807809  
1 1 1 -12 73  16 o 31.602  7.4285  588.364    249.978  650.980    356.389  527.723    350.723  32.911  9.4812  30.032  9.5693  2.879044       13.47086  
1 1 1 -12 73  17 o 67.224  4.4243  2507.10    320.331  2213.49    434.139  2857.98    474.592  62.271  6.5342  70.986  6.2359  -8.715149      9.032304  
1 1 1 -12 73  18 o 53.697  4.2748  1607.30    246.560  1807.64    344.104  1395.92    353.463  56.356  5.7165  48.933  6.8575  7.422722       8.927730  
1 1 1 -12 73  19 o 23.996  7.9175  337.092    238.899  595.251    347.304  105.237    329.135  30.725  9.4850  20.702  8.6889  10.02338       12.86324  
1 1 1 -12 73  20 o 28.322  2.0054  439.495    61.120   803.797    358.212  428.571    62.029   35.409  9.2417  27.957  2.0631  7.451874       9.469223  
1 1 1 -12 73  21 o 48.995  5.6722  1392.65    295.440  1443.94    469.399  1359.00    380.191  47.279  9.4962  47.131  7.7147  0.1481934      12.23499  
1 1 1 -12 73  22 o 28.560  8.5216  523.366    283.612  287.222    444.717  685.247    368.207  24.904  10.245  31.990  9.7471  -7.085499      14.14098  
1 1 1 -12 73  23 o 19.161  8.3755  37.160     329.667  126.836    436.914  -81.3853   502.342  22.400  9.7187  21.321  9.7429  1.079508       13.76148  
1 1 1 -12 73  24 o 16.667  7.7047  -155.0442  327.018  -126.0278  434.197  -193.0780  497.107  19.463  8.9543  20.108  9.3650  -0.6449356     12.95692  
1 1 1 -12 74  1  o 24.344  5.6624  338.132    146.482  183.374    202.471  508.091    212.182  19.957  7.2492  29.771  6.7375  -9.813311      9.896677  
1 1 1 -12 74  2  o 113.197 3.0226  6966.30    370.578  6917.39    523.454  7015.45    524.701  112.576 4.2930  113.375 4.2729  -0.7993011     6.057044  
1 1 1 -12 74  3  o 138.383 3.2276  10417.24   483.764  10114.86   682.565  10722.43   685.737  136.037 4.6325  140.094 4.5193  -4.057144      6.471774  
1 1 1 -12 74  4  f 155.770 3.4483  13208.91   581.771  12802.96   820.825  13618.69   824.687  152.935 4.9553  157.775 4.8259  -4.840225      6.916994  
1 1 1 -12 74  5  o 88.349  4.5675  4277.85    435.578  3899.37    597.493  4707.14    636.341  83.782  6.6387  92.171  6.4142  -8.389114      9.231150  
1 1 1 -12 74  6  o 14.764  6.1750  23.888     165.322  63.209     224.458  -22.7369   244.418  17.760  7.2890  16.859  7.2917  0.9010506      10.31010  
1 1 1 -12 74  7  o 47.446  4.0359  1237.42    205.430  1222.57    280.561  1254.58    301.626  46.830  5.6452  47.358  6.0161  -0.5278816     8.249969  
1 1 1 -12 74  8  o 101.243 3.0294  5576.92    332.197  5442.69    473.396  5707.15    466.281  99.763  4.3811  102.196 4.2126  -2.432411      6.077801  
1 1 1 -12 74  9  o 39.382  4.5625  860.281    191.009  860.331    265.781  860.228    274.695  38.920  6.5367  38.856  6.7734  0.6408310E-01  9.413201  
1 1 1 -12 74  10 o 79.989  3.1343  3484.68    271.545  3335.18    378.759  3642.79    389.511  77.895  4.5087  81.438  4.4326  -3.543564      6.322661  
1 1 1 -12 74  11 o 94.063  3.0496  4818.86    310.696  4681.50    440.326  4955.06    438.460  92.430  4.3984  95.127  4.2555  -2.697838      6.120080  
1 1 1 -12 74  12 o 40.338  5.0146  908.789    214.361  948.463    314.083  874.195    293.288  40.545  7.4257  38.949  7.2180  1.595852       10.35573  
1 1 1 -12 74  13 o 32.797  5.6622  611.651    193.869  777.011    310.760  506.286    248.060  36.379  8.0954  29.422  7.6962  6.957251       11.16993  
1 1 1 -12 74  14 o 37.605  5.2206  795.432    206.898  832.406    294.157  759.232    291.062  37.832  7.4439  36.022  7.6939  1.809742       10.70553  
1 1 1 -12 74  15 o 45.922  5.2342  1182.00    255.693  987.809    342.563  1426.29    384.220  41.019  7.9979  49.754  7.3513  -8.734951      10.86309  
1 1 1 -12 74  16 o 12.725  5.9154  -163.8461  196.846  -158.8349  254.204  -171.3515  311.099  15.024  6.8897  16.796  7.6721  -1.771749      10.31157  
1 1 1 -12 74  17 o 57.590  2.5998  1810.17    162.164  2358.02    386.879  1693.40    178.612  64.618  5.5826  55.557  2.9791  9.061054       6.327731  
1 1 1 -12 74  18 o 40.275  4.9744  921.151    212.382  843.427    299.703  999.553    301.006  37.391  7.6580  41.102  7.0132  -3.711140      10.38412  
1 1 1 -12 74  19 o 59.548  4.5385  1993.80    290.511  2381.43    410.922  1606.46    410.767  64.277  5.9707  51.767  7.5482  12.51043       9.624144  
1 1 1 -12 74  20 o 6.4546  2.6774  5.8068     30.719   -97.3540   412.727  6.3815     30.804   19.869  8.9810  6.4931  2.6863  13.37570       9.374163  
1 1 1 -12 74  21 o 28.239  7.8855  499.308    250.426  629.354    367.203  386.232    342.407  30.965  9.7836  25.672  9.4115  5.292994       13.57547  
1 1 1 -12 74  22 o 22.967  8.7093  287.257    298.143  539.144    526.882  168.613    361.604  29.206  11.444  21.841  9.1334  7.365173       14.64202  
1 1 1 -12 74  23 o 53.020  6.8450  1707.67    383.901  1786.81    516.606  1610.07    573.709  51.757  9.5679  47.157  11.366  4.599979       14.85697  
1 1 1 -12 74  24 o 20.105  8.5937  106.984    331.998  150.471    444.659  52.203     499.069  22.649  9.8155  22.393  10.019  0.2562313      14.02567  
1 1 1 -12 75  1  o 55.489  3.2620  1681.15    195.188  1860.82    271.171  1487.99    281.175  58.216  4.3316  51.881  5.0686  6.335621       6.667303  
1 1 1 -12 75  2  o 151.281 3.4351  12459.81   562.855  12487.21   820.017  12435.40   773.970  150.998 5.0140  150.774 4.7394  0.2237854      6.899446  
1 1 1 -12 75  3  o 87.731  2.9777  4184.93    282.948  4123.96    392.302  4251.03    408.487  86.923  4.1669  88.234  4.2744  -1.310951      5.969379  
1 1 1 -12 75  4  f 42.560  4.1213  997.640    187.596  1222.19    261.914  761.086    268.823  46.929  5.2424  36.487  7.0576  10.44196       8.791601  
1 1 1 -12 75  5  o 108.616 4.5130  6450.94    530.922  6290.00    735.258  6626.29    767.451  106.555 6.4005  109.333 6.5103  -2.778198      9.129643  
1 1 1 -12 75  6  o 102.273 3.0829  5691.06    341.500  5923.25    477.154  5447.22    488.972  104.125 4.2309  99.790  4.5240  4.334221       6.194155  
1 1 1 -12 75  7  o 98.704  3.0881  5301.91    330.136  5343.67    459.490  5257.35    474.643  98.868  4.2909  98.027  4.4705  0.8410568      6.196544  
1 1 1 -12 75  8  o 123.344 3.1149  8282.09    416.140  8342.24    587.388  8221.48    589.639  123.475 4.3921  122.563 4.4418  0.9112549      6.246612  
1 1 1 -12 75  9  o 90.320  3.0341  4441.11    296.810  4283.69    422.844  4594.01    416.727  88.446  4.4140  91.642  4.1984  -3.195862      6.091812  
1 1 1 -12 75  10 o 67.676  3.1585  2495.23    231.515  2407.63    322.988  2587.80    332.022  66.117  4.5377  68.568  4.4956  -2.450775      6.387573  
1 1 1 -12 75  11 o 33.493  5.4725  634.257    191.662  588.302    262.864  686.420    280.055  31.748  7.7193  34.314  7.7219  -2.566471      10.91854  
1 1 1 -12 75  12 o 69.956  2.6062  2662.80    197.476  2318.78    364.399  2805.84    234.970  64.618  5.2520  71.753  3.0235  -7.134537      6.060131  
1 1 1 -12 75  13 o 43.378  2.3494  1026.12    109.971  1081.30    305.389  1017.90    117.879  43.521  6.6931  43.180  2.5316  0.3408432      7.155904  
1 1 1 -12 75  14 o 102.111 4.4111  5733.13    487.850  5191.50    693.123  6264.88    686.770  96.015  6.7072  105.904 6.0121  -9.889038      9.007290  
1 1 1 -12 75  15 o 59.537  5.6846  1991.26    362.117  1915.19    500.624  2074.75    524.428  57.243  8.3180  59.598  8.3537  -2.355541      11.78872  
1 1 1 -12 75  16 o 17.309  7.3387  30.217     238.636  15.011     318.419  49.701     360.438  19.422  8.3615  21.025  8.9699  -1.603638      12.26272  
1 1 1 -12 75  17 o 20.056  6.8127  218.764    176.727  149.974    304.228  253.799    217.117  21.111  8.5531  21.678  7.5440  -0.5671787     11.40477  
1 1 1 -12 75  18 o 71.742  3.6431  2850.00    282.156  2973.23    420.784  2749.32    380.334  72.339  5.4096  69.748  5.0692  2.591209       7.413583  
1 1 1 -12 75  19 o 82.488  3.7220  3768.12    332.538  3802.08    486.025  3738.24    455.973  81.619  5.5305  81.158  5.2149  0.4614487      7.601428  
1 1 1 -12 75  20 o 16.517  2.7836  153.732    48.027   456.818    371.451  148.580    48.433   27.440  9.8387  16.215  2.8625  11.22525       10.24660  
1 1 1 -12 75  21 o 18.010  7.5033  87.106     242.773  259.172    353.841  -65.9356   333.708  23.320  9.3020  18.108  8.1404  5.212152       12.36100  
1 1 1 -12 75  22 o 42.119  8.1518  1123.54    358.440  1701.11    478.308  383.704    541.346  51.358  8.9224  27.077  11.236  24.28127       14.34794  
1 1 1 -12 75  23 o 30.636  9.5009  635.890    348.020  479.002    464.715  836.244    525.159  27.602  10.767  33.555  11.730  -5.952276      15.92188  
1 1 1 -12 76  1  o 164.165 3.4886  14679.82   620.309  14845.75   876.249  14513.13   878.253  164.622 4.9144  162.742 4.9825  1.880600       6.998347  
1 1 1 -12 76  2  o 103.795 3.0133  5859.73    338.760  5832.17    479.491  5887.18    478.667  103.322 4.2846  103.814 4.2570  -0.4919281     6.039909  
1 1 1 -12 76  3  f 109.271 3.0639  6495.56    362.613  6498.41    510.968  6492.66    514.678  109.051 4.3261  108.995 4.3597  0.5587769E-01  6.141842  
1 1 1 -12 76  4  o 57.660  3.4289  1817.17    213.173  1816.51    296.522  1817.88    306.678  57.395  4.8144  57.380  4.9841  0.1494598E-01  6.929683  
1 1 1 -12 76  5  o 70.816  3.8675  2744.32    295.517  2833.17    349.257  2520.41    554.471  71.824  4.5125  66.788  7.8126  5.035797       9.022142  
1 1 1 -12 76  6  o 131.259 3.2207  9380.73    457.885  9064.51    642.922  9706.21    652.274  128.666 4.6134  133.171 4.5222  -4.505005      6.460207  
1 1 1 -12 76  7  o 56.222  3.5805  1730.57    216.898  1486.83    307.421  1972.16    306.064  51.676  5.5812  59.795  4.7654  -8.118935      7.338829  
1 1 1 -12 76  8  o 36.957  4.6051  759.749    180.335  784.178    265.061  738.697    246.062  37.008  6.8655  35.970  6.5574  1.037807       9.493907  
1 1 1 -12 76  9  o 19.736  6.7853  199.496    175.384  103.065    244.130  302.345    252.123  19.113  7.6905  23.926  8.1371  -4.812824      11.19630  
1 1 1 -12 76  10 o 13.141  5.8031  -45.4566   161.985  13.975     235.544  -98.7853   223.123  17.107  7.2736  14.798  6.6541  2.308945       9.858080  
1 1 1 -12 76  11 o 23.871  1.4763  310.225    37.981   206.525    229.748  313.138    38.511   21.036  7.7096  23.982  1.4900  -2.945990      7.852304  
1 1 1 -12 76  12 o 54.745  2.4094  1629.76    142.866  1680.24    328.862  1618.02    158.615  54.819  5.6181  54.520  2.6861  0.2991829      6.227233  
1 1 1 -12 76  13 o 40.152  1.9436  875.593    84.526   1205.14    401.351  860.297    86.466   45.325  8.4874  39.745  2.0152  5.580082       8.723330  
1 1 1 -12 76  14 o 92.471  4.5766  4712.88    458.374  4211.54    631.161  5272.41    666.783  86.272  6.8100  96.819  6.3945  -10.54700      9.341587  
1 1 1 -12 76  15 o 91.117  3.7130  4556.12    366.434  4559.94    455.987  4549.17    615.688  90.703  4.6572  89.705  6.3784  0.9978943      7.897748  
1 1 1 -12 76  16 o 23.393  7.3801  315.014    209.007  -6.2816    293.027  647.753    298.200  18.309  7.9513  32.668  8.3854  -14.35942      11.55581  
1 1 1 -12 76  17 o 63.347  2.7247  2195.79    186.944  2278.45    419.316  2175.28    208.849  62.916  6.2354  62.966  3.0624  -0.4976654E-01 6.946862  
1 1 1 -12 76  18 o 59.116  4.2370  1954.25    269.489  2122.04    420.664  1837.46    350.965  60.347  6.5406  56.536  5.8143  3.810703       8.751348  
1 1 1 -12 76  19 o 17.720  7.3499  79.670     231.477  -19.7422   347.453  159.003    310.388  19.254  8.5011  21.090  8.6039  -1.836143      12.09525  
1 1 1 -12 76  20 o 22.471  1.4252  275.578    34.508   350.247    410.228  275.045    34.631   25.773  10.098  22.449  1.4318  3.323877       10.19936  
1 1 1 -12 76  21 o 52.177  5.3845  1575.11    299.920  2011.66    505.855  1338.46    372.442  56.533  8.5265  46.607  7.6429  9.925606       11.45057  
1 1 1 -12 76  22 o 38.927  8.6124  982.422    353.496  1089.72    486.682  862.606    514.297  38.998  11.029  34.314  11.622  4.683929       16.02237  
1 1 1 -12 76  23 o 37.615  8.8514  933.097    354.602  1043.44    491.533  813.347    512.064  37.779  11.206  33.234  11.584  4.544262       16.11776  
1 1 1 -12 77  1  o 113.688 3.0527  7032.53    375.894  6878.84    527.900  7190.60    535.368  112.169 4.3452  114.692 4.3097  -2.522415      6.119995  
1 1 1 -12 77  2  o 70.379  3.1038  2695.47    236.595  2857.52    331.027  2526.24    338.284  72.188  4.2526  67.778  4.6359  4.409637       6.290958  
1 1 1 -12 77  3  o 106.012 3.0103  6114.42    345.647  6079.10    487.446  6150.14    490.202  105.460 4.2674  106.075 4.2667  -0.6145859     6.034544  
1 1 1 -12 77  4  o 69.933  5.0069  2696.18    376.736  3208.67    523.801  2146.96    542.248  75.909  6.4314  61.353  8.3791  14.55539       10.56277  
1 1 1 -12 77  5  o 69.356  2.5751  2614.23    193.443  2703.92    345.155  2573.15    233.575  70.126  4.5692  68.750  3.1368  1.375885       5.542324  
1 1 1 -12 77  6  o 88.293  3.1187  4244.48    298.239  4261.00    415.847  4226.99    427.960  88.241  4.3511  87.740  4.5187  0.5005341      6.272972  
1 1 1 -12 77  7  o 4.9953  2.2995  -22.3126   28.692   -33.1425   235.480  -22.1494   28.908   16.317  7.1069  5.0263  2.3117  11.29049       7.473458  
1 1 1 -12 77  8  o 18.340  6.7675  150.181    177.473  257.638    243.358  28.114     259.375  22.641  7.9799  18.162  7.6728  4.478853       11.07029  
1 1 1 -12 77  9  o 16.171  6.3782  84.921     164.643  155.786    242.580  24.395     224.186  20.178  7.8043  16.914  7.1388  3.264200       10.57686  
1 1 1 -12 77  10 o 16.172  6.5376  67.763     177.311  94.553     245.771  38.684     256.055  18.947  7.6838  18.204  7.6535  0.7430611      10.84511  
1 1 1 -12 77  11 f 76.374  2.7872  3176.07    230.557  3273.69    392.773  3124.75    284.784  77.009  4.7319  75.641  3.4761  1.368469       5.871468  
1 1 1 -12 77  12 f 87.345  3.6707  4172.42    347.262  4068.09    597.803  4225.56    426.624  85.120  6.5340  87.569  4.5134  -2.448601      7.941307  
1 1 1 -12 77  13 o 86.193  4.6329  4104.40    430.923  4000.58    595.297  4218.69    624.594  84.257  6.5752  86.460  6.7226  -2.202705      9.403559  
1 1 1 -12 77  14 f 47.926  5.5343  1293.96    282.000  1096.25    381.896  1531.04    418.188  42.963  8.5079  51.300  7.7696  -8.336868      11.52183  
1 1 1 -12 77  15 f 40.854  5.3101  945.364    229.414  804.464    331.293  1075.18    317.997  36.478  8.5364  42.935  7.0854  -6.456219      11.09385  
1 1 1 -12 77  16 o 36.478  5.5569  764.042    212.611  833.143    312.177  704.261    290.362  37.120  8.0004  34.071  8.0043  3.049442       11.31703  
1 1 1 -12 77  17 o 39.990  5.5347  919.893    233.303  832.957    335.162  1001.61    324.955  36.628  8.5960  40.761  7.6413  -4.132320      11.50131  
1 1 1 -12 77  18 o 55.547  4.2087  1726.76    251.325  1630.14    382.578  1800.11    333.341  52.583  6.8827  56.061  5.5633  -3.477844      8.849986  
1 1 1 -12 77  19 o 42.093  5.5212  1024.62    245.648  1057.95    356.746  994.562    338.750  41.270  8.2691  40.097  8.0793  1.173111       11.56079  
1 1 1 -12 77  20 o 36.646  2.2475  737.028    88.775   870.979    364.433  728.578    91.532   36.574  9.2063  36.416  2.3329  0.1575775      9.497330  
1 1 1 -12 77  21 o 98.765  3.5446  5422.26    379.170  6502.79    726.975  5018.48    444.405  104.967 6.4253  94.406  4.3462  10.56084       7.757188  
1 1 1 -12 77  22 o 22.962  9.0459  271.547    330.788  421.459    455.874  104.846    480.725  26.764  10.595  22.867  10.052  3.896545       14.60463  
1 1 1 -12 78  1  o 71.725  2.5182  2795.49    195.630  2715.86    239.202  2956.33    339.970  70.631  3.1268  73.400  4.2951  -2.768921      5.312676  
1 1 1 -12 78  2  o 117.260 3.0921  7484.64    392.711  7428.47    555.827  7540.63    554.928  116.512 4.4045  117.399 4.3642  -0.8873825     6.200449  
1 1 1 -12 78  3  o 63.257  3.3387  2186.11    227.935  2017.25    327.259  2345.20    317.652  60.413  5.0476  65.294  4.5195  -4.880836      6.775270  
1 1 1 -12 78  4  o 87.639  4.6506  4220.58    439.868  3967.59    611.789  4491.32    632.881  84.285  6.7585  89.785  6.5533  -5.500336      9.413943  
1 1 1 -12 78  5  o 78.832  3.1681  3384.50    270.502  3303.41    379.853  3467.93    385.299  77.523  4.5438  79.448  4.4960  -1.925514      6.392185  
1 1 1 -12 78  6  o 100.763 3.0656  5528.41    334.567  5643.47    473.041  5413.24    473.258  101.540 4.3012  99.424  4.3948  2.115974       6.149337  
1 1 1 -12 78  7  o 91.355  3.0734  4545.19    304.102  4472.66    428.365  4618.88    431.785  90.362  4.3768  91.836  4.3410  -1.473648      6.164438  
1 1 1 -12 78  8  o 76.777  3.1949  3212.83    265.682  3113.72    373.369  3314.50    378.140  75.190  4.6069  77.609  4.5181  -2.419075      6.452636  
1 1 1 -12 78  9  o 122.073 3.1715  8123.87    419.325  8066.74    591.994  8181.40    594.042  121.233 4.5084  122.098 4.4920  -0.8645172     6.364269  
1 1 1 -12 78  10 o 160.789 3.6191  14127.42   630.272  14194.37   864.751  14051.55   920.541  160.532 4.9735  159.525 5.3278  1.007095       7.288381  
1 1 1 -12 78  11 o 112.322 3.6493  6897.77    443.959  6712.70    765.774  6991.46    544.872  109.516 6.4847  112.819 4.4591  -3.302780      7.869868  
1 1 1 -12 78  12 o 66.482  4.7422  2447.38    339.229  2040.01    445.098  3011.94    523.982  59.880  6.9946  73.029  6.6991  -13.14907      9.685158  
1 1 1 -12 78  13 f 68.147  4.5609  2571.34    334.699  2106.40    459.247  3098.05    488.806  60.682  7.1229  74.199  6.1374  -13.51770      9.402328  
1 1 1 -12 78  14 o 102.730 3.0716  5769.48    341.764  5681.57    510.305  5840.98    460.220  101.330 4.6497  102.975 4.1263  -1.644943      6.216568  
1 1 1 -12 78  15 o 40.233  5.2445  918.866    223.101  1091.00    335.176  781.935    298.947  42.973  7.4726  36.083  7.8708  6.889465       10.85305  
1 1 1 -12 78  16 o 63.519  3.8274  2237.59    262.087  2076.73    392.932  2366.52    351.770  60.099  6.1219  64.775  5.0539  -4.676071      7.938495  
1 1 1 -12 78  17 o 43.083  5.0111  1055.59    229.469  1334.68    344.492  832.987    307.659  47.586  6.8840  36.925  7.9295  10.66117       10.50074  
1 1 1 -12 78  18 o 11.946  5.7785  -337.3698  228.493  -391.2255  353.785  -298.8290  299.284  15.616  7.4585  14.769  6.9984  0.8467083      10.22773  
1 1 1 -12 78  19 f 21.727  7.5936  265.583    220.093  401.851    316.330  137.717    306.424  25.935  9.1014  20.550  8.4846  5.384991       12.44285  
1 1 1 -12 78  20 o 10.373  3.1111  60.045     37.728   355.396    434.858  57.805     37.871   25.950  10.324  10.216  3.1285  15.73328       10.78784  
1 1 1 -12 78  21 o 61.588  6.2475  2243.26    410.981  3070.21    604.733  1533.52    560.244  70.230  8.0985  46.562  11.237  23.66759       13.85159  
1 1 1 -12 78  22 o 36.582  8.9463  882.120    351.527  999.288    486.595  754.221    508.391  37.167  11.178  32.406  11.522  4.760712       16.05333  
1 1 1 -12 79  1  o 63.877  3.0495  2221.31    210.984  2092.83    293.299  2359.08    303.727  61.673  4.4201  65.523  4.3037  -3.849735      6.169250  
1 1 1 -12 79  2  o 112.939 3.0899  6944.88    377.967  6411.85    537.248  7467.24    531.844  108.170 4.5856  116.843 4.2025  -8.673332      6.220069  
1 1 1 -12 79  3  o 46.471  2.3708  1176.29    118.935  1101.35    131.156  1523.15    282.164  44.922  2.7083  52.427  5.0309  -7.504559      5.713567  
1 1 1 -12 79  4  o 20.981  8.3370  142.373    283.234  -23.4746   387.093  333.477    415.523  21.120  9.1555  27.272  10.296  -6.151821      13.77799  
1 1 1 -12 79  5  o 117.712 3.1493  7547.73    401.518  7935.21    566.161  7155.65    569.518  120.381 4.3422  114.238 4.6029  6.143700       6.327811  
1 1 1 -12 79  6  o 111.037 3.0072  6713.76    361.664  7241.02    521.051  6223.57    502.399  115.020 4.1825  106.587 4.3519  8.433151       6.035897  
1 1 1 -12 79  7  o 17.441  6.7127  116.190    178.783  94.131     243.709  141.895    263.073  18.897  7.6556  20.410  8.0585  -1.512487      11.11523  
1 1 1 -12 79  8  o 21.295  7.0239  244.179    188.026  106.580    254.898  408.418    278.482  19.456  7.8479  26.908  8.5220  -7.452036      11.58504  
1 1 1 -12 79  9  o 72.154  2.6795  2833.27    209.401  2968.11    366.227  2767.77    255.240  73.356  4.6332  71.224  3.3087  2.132011       5.693318  
1 1 1 -12 79  10 o 18.703  7.2141  135.248    206.833  91.121     367.129  155.766    250.343  22.108  9.2203  20.327  7.9097  1.781202       12.14814  
1 1 1 -12 79  11 o 44.347  6.0800  1113.63    284.353  1285.03    368.628  861.788    446.835  47.216  7.4557  37.701  10.535  9.515644       12.90645  
1 1 1 -12 79  12 o 60.161  5.0605  2015.59    326.685  1698.52    475.620  2298.77    449.492  53.885  8.4252  63.683  6.6132  -9.797581      10.71070  
1 1 1 -12 79  13 o 65.472  3.6264  2357.45    256.153  2332.43    369.745  2380.55    355.203  64.552  5.3362  65.325  5.0597  -0.7725830     7.353636  
1 1 1 -12 79  14 o 22.489  1.2945  275.323    31.399   259.135    260.348  275.562    31.629   22.598  8.2184  22.498  1.3036  0.9918785E-01  8.321115  
1 1 1 -12 79  15 o 19.876  7.1424  201.988    195.858  94.539     275.153  312.347    278.855  19.374  8.0229  23.966  8.5319  -4.592018      11.71149  
1 1 1 -12 79  16 o 30.001  6.4873  534.735    204.663  459.296    293.686  605.961    285.368  27.513  8.7556  31.339  8.2823  -3.825415      12.05221  
1 1 1 -12 79  17 o 35.166  1.5860  672.323    60.409   343.647    381.651  680.770    61.181   25.685  9.8265  35.385  1.5963  -9.700457      9.955313  
1 1 1 -12 79  18 o 36.111  6.1287  767.706    231.137  816.338    344.382  727.841    311.797  35.849  8.9085  34.027  8.4883  1.822208       12.30499  
1 1 1 -12 79  19 o 22.977  7.5633  313.257    218.053  293.180    319.128  330.838    298.638  23.592  8.9952  24.135  8.7983  -0.5431309     12.58262  
1 1 1 -12 79  20 o 17.643  7.3829  77.514     236.506  -19.3131   356.990  153.256    315.737  19.231  8.5476  20.821  8.6059  -1.590195      12.12946  
1 1 1 -12 79  21 o 63.766  5.7590  2376.33    393.455  2556.22    496.063  2071.22    646.045  64.882  7.1794  54.177  11.372  10.70490       13.44877  
1 1 1 -12 79  22 o 31.577  9.7701  677.141    368.261  786.648    547.041  586.386    498.006  32.864  11.919  29.625  11.251  3.238888       16.39027  
1 1 1 -12 80  1  o 101.175 2.9738  5572.54    325.880  5071.20    457.181  6090.38    464.639  96.222  4.3868  105.533 4.0650  -9.310799      5.980606  
1 1 1 -12 80  2  o 140.430 3.3275  10749.86   506.118  10424.03   718.107  11071.47   713.435  137.795 4.8116  142.079 4.6361  -4.283783      6.681667  
1 1 1 -12 80  3  o 119.573 3.1113  7787.93    402.948  7248.37    566.366  8341.00    573.409  114.980 4.5478  123.425 4.2893  -8.445686      6.251500  
1 1 1 -12 80  4  o 124.216 3.6651  8424.51    493.102  8260.39    594.995  8784.43    881.136  122.755 4.4751  125.595 6.4996  -2.840118      7.891253  
1 1 1 -12 80  5  o 94.417  2.8932  4852.96    295.864  4754.48    390.334  4985.96    453.583  93.264  3.8642  95.379  4.3907  -2.115005      5.848938  
1 1 1 -12 80  6  o 20.158  6.7179  215.827    171.836  222.067    257.321  210.806    230.854  22.019  8.1442  21.188  7.7338  0.8309517      11.23119  
1 1 1 -12 80  7  o 37.000  4.8729  765.315    190.531  544.471    273.123  974.670    265.924  30.509  8.1215  41.510  6.0964  -11.00043      10.15505  
1 1 1 -12 80  8  o 28.046  6.2263  453.499    184.204  260.117    266.776  629.703    254.653  23.067  8.3299  32.897  7.3340  -9.829929      11.09843  
1 1 1 -12 80  9  o 68.943  3.8655  2609.00    287.477  2535.70    459.878  2656.01    368.310  67.189  6.3966  69.272  4.9413  -2.082909      8.082857  
1 1 1 -12 80  10 f 76.134  4.7212  3203.60    387.395  3257.92    542.216  3146.95    553.684  76.039  6.6505  74.599  6.9319  1.439270       9.606290  
1 1 1 -12 80  11 o 19.174  7.7193  109.654    246.106  146.014    373.515  81.758     327.166  22.996  9.4163  20.853  8.7012  2.142620       12.82098  
1 1 1 -12 80  12 o 50.172  4.3585  1396.97    234.496  1118.71    327.430  1689.97    335.991  43.952  7.1219  54.760  5.7507  -10.80881      9.153801  
1 1 1 -12 80  13 o 34.442  5.8232  681.941    209.487  760.312    307.573  614.127    286.108  35.588  8.1542  31.946  8.2209  3.642563       11.57905  
1 1 1 -12 80  14 o 72.323  2.7514  2859.38    215.528  2732.07    396.092  2912.93    256.888  69.643  5.2906  72.861  3.2552  -3.217781      6.211811  
1 1 1 -12 80  15 o 70.876  3.7361  2781.04    285.791  2692.06    407.046  2867.55    401.353  68.862  5.5034  71.235  5.2386  -2.373009      7.598105  
1 1 1 -12 80  16 o 49.060  4.5489  1354.01    238.965  1410.87    362.836  1310.45    317.566  48.868  7.0598  47.449  6.3377  1.419483       9.487189  
1 1 1 -12 80  17 o 64.471  2.8850  2281.20    201.459  2534.01    408.250  2199.82    231.625  66.462  5.7272  63.061  3.4038  3.400757       6.662383  
1 1 1 -12 80  18 o 21.164  7.7080  238.156    229.133  68.847     362.448  350.867    295.725  20.739  8.9247  24.661  8.7854  -3.922857      12.52333  
1 1 1 -12 80  19 o 19.014  7.4954  152.847    227.254  157.059    355.447  149.935    295.551  21.746  9.0712  20.440  8.3737  1.305990       12.34522  
1 1 1 -12 80  20 o 15.436  7.0946  -136.9629  271.651  222.576    349.273  -687.4459  432.180  22.543  9.1536  15.482  7.5893  7.060823       11.89057  
1 1 1 -12 80  21 o 29.909  9.2907  591.453    332.634  750.471    470.817  432.976    470.015  32.634  11.120  27.198  10.761  5.436192       15.47396  
1 1 1 -12 81  1  o 31.612  4.9327  561.885    163.375  680.491    237.823  455.893    224.820  34.439  6.6162  28.033  7.3238  6.405661       9.869781  
1 1 1 -12 81  2  o 90.871  3.0078  4497.31    296.037  4470.53    423.989  4522.78    413.526  90.325  4.3339  90.884  4.2009  -0.5584183     6.035753  
1 1 1 -12 81  3  o 183.666 5.4153  18608.01   1077.26  18990.68   1521.25  18223.09   1525.72  183.891 7.6378  179.976 7.8269  3.915649       10.93602  
1 1 1 -12 81  4  o 142.988 3.3332  11151.30   516.213  11394.41   727.770  10905.13   732.323  144.050 4.6646  140.866 4.7998  3.183823       6.693014  
1 1 1 -12 81  5  o 56.441  3.6610  1747.34    222.596  1613.79    310.157  1889.19    319.654  53.828  5.3924  58.358  5.1087  -4.529732      7.428068  
1 1 1 -12 81  6  o 22.720  6.9602  290.129    187.427  303.677    263.546  276.264    266.605  24.079  8.3154  23.461  8.3434  0.6182938      11.77958  
1 1 1 -12 81  7  o 71.408  3.2937  2781.70    254.738  3038.26    348.528  2487.45    373.251  74.305  4.3496  66.976  5.1857  7.328667       6.768317  
1 1 1 -12 81  8  o 79.714  3.8229  3476.75    330.069  3983.26    561.747  3209.68    407.911  84.421  6.1866  76.170  4.9716  8.251442       7.936705  
1 1 1 -12 81  9  o 64.761  4.7272  2321.25    329.291  2632.00    492.384  2069.82    442.911  68.251  6.7492  60.399  6.8940  7.852440       9.647760  
1 1 1 -12 81  10 o 28.163  8.0200  464.625    256.425  520.803    393.747  423.251    337.905  30.262  10.169  27.664  9.4202  2.597990       13.86212  
1 1 1 -12 81  11 o 49.269  4.3850  1347.34    231.552  1206.28    323.856  1494.88    331.194  45.846  6.7216  51.372  6.0696  -5.525360      9.056505  
1 1 1 -12 81  12 o 51.308  4.0162  1457.83    221.404  1489.22    310.456  1425.34    315.840  51.307  5.6820  50.085  5.9378  1.221954       8.218485  
1 1 1 -12 81  13 o 40.595  4.8477  929.222    208.930  808.853    290.913  1057.44    300.253  36.845  7.5437  42.620  6.7276  -5.774471      10.10782  
1 1 1 -12 81  14 o 20.248  7.4433  203.215    214.376  560.062    298.922  -174.6807  307.611  30.190  8.6792  16.445  7.5550  13.74505       11.50679  
1 1 1 -12 81  15 o 64.522  3.7023  2305.91    257.646  2046.82    366.447  2559.19    362.321  59.854  5.7224  67.380  5.0004  -7.526089      7.599293  
1 1 1 -12 81  16 o 32.081  6.7041  614.453    225.444  401.736    315.245  837.119    322.533  26.186  9.0916  36.813  8.2887  -10.62733      12.30284  
1 1 1 -12 81  17 o 52.054  2.3928  1481.34    134.906  1668.21    408.238  1458.43    142.936  52.828  7.3325  51.615  2.5568  1.212917       7.765450  
1 1 1 -12 81  18 f 21.764  7.7396  263.286    229.413  326.446    325.986  201.310    322.914  24.390  9.1378  21.965  8.8425  2.425127       12.71564  
1 1 1 -12 81  19 o 44.476  5.8252  1157.98    273.867  1433.52    482.349  1026.90    332.693  46.611  9.8622  40.664  7.8380  5.946892       12.59746  
1 1 1 -12 81  20 o 14.557  7.0137  -406.0282  328.483  -434.7241  423.913  -362.9051  519.664  16.889  8.0930  19.533  9.2462  -2.644207      12.28777  
1 1 1 -12 81  21 f 18.869  8.0057  82.527     284.306  380.747    370.176  -346.3914  443.942  25.517  9.6977  17.991  8.5248  7.525913       12.91198  
1 1 1 -12 82  1  o 76.302  3.0812  3172.37    254.642  3079.53    362.128  3263.18    358.141  74.790  4.4912  77.045  4.3091  -2.254387      6.224078  
1 1 1 -12 82  2  o 46.783  3.6009  1202.15    181.057  1247.91    246.060  1148.12    267.371  47.403  4.8613  45.270  5.5705  2.133602       7.393416  
1 1 1 -12 82  3  o 14.990  6.9737  -232.5988  274.440  33.854     379.575  -524.4630  397.263  21.632  9.2163  16.345  7.8329  5.286909       12.09517  
1 1 1 -12 82  4  o 17.031  6.3435  125.608    156.650  -47.7197   229.763  276.162    214.136  15.836  6.9553  22.623  7.4974  -6.786837      10.22682  
1 1 1 -12 82  5  o 43.857  4.3037  1064.21    201.799  997.512    278.565  1137.88    292.737  41.930  6.3309  44.881  6.1866  -2.950130      8.851786  
1 1 1 -12 82  6  o 51.156  4.1501  1442.99    227.962  1374.98    324.655  1509.13    320.166  49.385  6.2067  51.896  5.7950  -2.511169      8.491417  
1 1 1 -12 82  7  o 194.813 4.5394  20857.33   957.835  21623.38   1657.80  20473.46   1173.54  195.565 7.8266  192.255 5.6357  3.310120       9.644511  
1 1 1 -12 82  8  o 226.809 6.1779  28670.32   1517.64  28267.72   2148.14  29071.53   2144.41  221.800 8.9419  225.144 8.7938  -3.344284      12.54148  
1 1 1 -12 82  9  o 64.713  4.8061  2322.58    334.460  2257.78    502.646  2374.07    448.044  62.741  7.5482  64.825  6.4676  -2.084248      9.940072  
1 1 1 -12 82  10 o 40.765  5.0690  933.692    218.976  821.259    309.815  1045.93    309.542  37.282  7.9170  42.554  6.9564  -5.271572      10.53902  
1 1 1 -12 82  11 o 83.623  3.2159  3826.70    291.267  3720.86    410.321  3934.20    413.526  81.874  4.6462  84.238  4.5492  -2.363228      6.502528  
1 1 1 -12 82  12 o 40.585  5.0118  930.373    215.630  1222.11    317.207  679.756    294.006  45.989  6.5537  33.540  8.1690  12.44818       10.47296  
1 1 1 -12 82  13 o 42.878  5.0793  1042.02    231.304  1027.32    324.111  1057.28    330.202  41.551  7.4768  42.152  7.5078  -0.6008949     10.59572  
1 1 1 -12 82  14 o 39.092  5.1080  870.439    211.107  831.984    294.626  911.013    302.636  37.180  7.5735  39.015  7.4331  -1.835125      10.61171  
1 1 1 -12 82  15 o 49.973  4.5518  1404.11    243.668  1697.58    364.411  1166.79    327.702  54.105  6.3386  44.390  7.0517  9.714897       9.481749  
1 1 1 -12 82  16 o 45.005  5.1548  1156.20    246.735  1232.48    382.173  1101.69    323.093  44.874  8.1640  42.913  7.2068  1.960514       10.88984  
1 1 1 -12 82  17 o 83.216  3.0069  3809.00    271.022  3907.90    467.356  3758.88    332.671  82.861  5.2344  82.325  3.7309  0.5360794      6.427907  
1 1 1 -12 82  18 o 73.948  4.2066  3068.49    335.532  4083.33    607.683  2623.40    402.440  83.085  6.8128  67.485  5.5552  15.59916       8.790541  
1 1 1 -12 82  19 o 45.182  6.7493  1226.02    320.167  1307.30    422.927  1116.91    490.013  45.081  8.9772  39.973  10.981  5.107697       14.18337  
1 1 1 -12 82  20 o 22.740  8.5777  281.003    288.237  694.367    376.756  -302.4155  447.594  32.112  9.8733  18.470  8.6934  13.64153       13.15513  
1 1 1 -12 83  1  o 132.081 3.1939  9512.09    456.910  9430.28    646.993  9593.49    645.347  131.052 4.5581  132.201 4.5070  -1.149429      6.410115  
1 1 1 -12 83  2  o 84.851  3.0958  3924.01    284.509  3982.60    403.667  3866.17    401.060  85.097  4.3946  83.830  4.4329  1.267426       6.242043  
1 1 1 -12 83  3  o 38.192  7.8151  849.419    312.386  604.720    435.527  1108.69    448.311  32.510  10.688  43.092  9.8237  -10.58173      14.51717  
1 1 1 -12 83  4  o 124.485 3.2329  8452.58    435.896  8420.99    612.943  8484.90    620.017  123.811 4.5708  124.266 4.6066  -0.4550323     6.489458  
1 1 1 -12 83  5  o 98.029  3.1625  5241.08    335.783  5198.49    472.650  5284.47    477.118  97.283  4.4857  98.083  4.4912  -0.7995605     6.347642  
1 1 1 -12 83  6  o 40.244  1.9914  879.661    86.804   1189.72    401.329  864.443    88.909   45.030  8.5411  39.837  2.0677  5.193317       8.787851  
1 1 1 -12 83  7  o 75.234  4.4231  3122.23    358.836  3253.82    491.130  2971.53    525.559  76.237  5.9962  72.510  6.7703  3.727066       9.043854  
1 1 1 -12 83  8  f 178.645 5.2991  17684.41   1025.33  17957.31   1453.15  17413.83   1446.94  177.963 7.5389  175.157 7.6270  2.806030       10.72413  
1 1 1 -12 83  9  o 146.443 3.4308  11737.07   544.169  11870.98   767.620  11601.78   771.536  146.519 4.8371  144.797 4.9196  1.722275       6.899213  
1 1 1 -12 83  10 o 63.501  3.7244  2221.57    255.038  2312.39    384.970  2150.54    340.471  64.118  5.5996  62.009  5.1150  2.108509       7.584105  
1 1 1 -12 83  11 o 38.354  5.2285  834.803    211.539  751.652    311.998  905.552    287.790  35.265  8.3054  39.311  7.0165  -4.045494      10.87251  
1 1 1 -12 83  12 o 36.777  5.4820  775.014    211.698  624.035    283.892  964.130    317.730  32.019  8.1617  40.215  7.5725  -8.195259      11.13355  
1 1 1 -12 83  13 o 17.523  6.8564  119.184    188.913  -3.7365    262.839  250.541    271.709  17.335  7.5296  22.409  8.3529  -5.073864      11.24568  
1 1 1 -12 83  14 o 17.128  6.9744  85.064     203.464  -275.5563  300.381  390.786    276.574  15.111  7.1151  25.752  8.5200  -10.64129      11.10024  
1 1 1 -12 83  15 o 95.461  3.0659  5006.33    316.992  4981.06    487.200  5024.89    417.432  94.148  4.7937  95.134  4.0512  -0.9861450     6.276238  
1 1 1 -12 83  16 o 52.703  4.4009  1561.83    248.916  1621.51    366.217  1510.58    339.356  52.560  6.5770  50.873  6.2931  1.687065       9.102715  
1 1 1 -12 83  17 o 39.351  1.8897  843.973    80.543   592.817    387.666  855.304    82.340   30.307  10.090  39.611  1.9192  -9.303461      10.27080  
1 1 1 -12 83  18 o 16.037  7.0247  -10.8866   232.979  98.982     382.525  -75.6758   293.748  21.420  9.1921  16.939  7.6241  4.480906       11.94242  
1 1 1 -12 83  19 o 17.610  8.0657  -136.9861  346.935  -213.6183  460.835  -36.7331   527.094  19.558  9.0781  22.458  10.151  -2.900009      13.61791  
1 1 1 -12 83  20 o 14.993  7.0947  -276.4890  305.442  -21.4701   435.161  -524.1417  428.830  20.859  9.3422  16.407  7.9318  4.451454       12.25526  
1 1 1 -12 84  1  f 36.073  4.8119  728.389    183.318  738.358    259.541  718.465    258.962  35.748  6.9535  35.231  7.0327  0.5172691      9.889915  
1 1 1 -12 84  2  f 83.978  3.0697  3845.10    279.206  3789.25    396.265  3900.17    393.463  82.951  4.4266  84.190  4.3296  -1.238785      6.191921  
1 1 1 -12 84  3  o 87.538  4.6730  4227.37    441.462  3948.53    612.244  4529.35    637.142  83.735  6.8097  89.820  6.5954  -6.085220      9.480055  
1 1 1 -12 84  4  o 194.255 4.0930  20691.06   861.172  20073.86   1284.95  21194.34   1160.32  189.781 6.2512  195.652 5.4755  -5.871109      8.310171  
1 1 1 -12 84  5  o 113.549 3.4956  7048.16    429.903  7195.46    754.722  6977.41    523.053  113.467 6.1643  112.714 4.2845  0.7524643      7.506987  
1 1 1 -12 84  6  o 18.865  7.6812  92.619     246.784  291.719    365.940  -73.4628   334.223  25.390  9.6439  18.809  8.3193  6.581873       12.73641  
1 1 1 -12 84  7  o 82.555  4.5387  3766.20    404.273  3797.11    580.574  3737.10    563.275  81.998  6.5928  81.420  6.4399  0.5780792      9.216113  
1 1 1 -12 84  8  o 38.859  5.0841  850.332    208.850  853.443    287.104  846.837    304.367  38.247  7.1947  37.928  7.6727  0.3190727      10.51832  
1 1 1 -12 84  9  o 50.352  4.1309  1405.65    223.300  1448.76    325.367  1367.27    307.018  50.465  6.0747  49.075  5.8939  1.389400       8.464100  
1 1 1 -12 84  10 o 75.685  3.3070  3140.32    271.093  3332.20    382.996  2947.66    383.772  77.402  4.5889  72.646  4.9062  4.756287       6.717801  
1 1 1 -12 84  11 o 48.502  4.4698  1315.97    232.169  1331.86    325.149  1299.45    331.621  48.015  6.4125  47.306  6.6563  0.7082100      9.242661  
1 1 1 -12 84  12 o 39.934  5.1517  907.278    217.632  1021.75    319.909  808.659    296.930  41.447  7.3976  36.628  7.7277  4.819630       10.69776  
1 1 1 -12 84  13 o 63.353  3.7775  2224.12    258.026  2020.19    374.451  2408.51    356.053  59.405  5.8976  65.353  5.0698  -5.948250      7.777193  
1 1 1 -12 84  14 o 24.127  7.3484  345.770    209.310  266.426    279.631  446.870    315.650  22.802  8.4788  27.286  9.1056  -4.483585      12.44191  
1 1 1 -12 84  15 o 56.195  2.5076  1727.19    152.623  2065.76    381.131  1662.53    166.561  59.858  5.9579  54.996  2.8055  4.861366       6.585402  
1 1 1 -12 84  16 f 28.946  7.6880  517.416    245.102  821.411    367.062  272.805    329.264  35.682  9.3756  23.480  9.0894  12.20169       13.05832  
1 1 1 -12 84  17 o 7.9434  2.8988  28.316     32.430   -581.6519  377.601  32.848     32.551   14.813  7.2252  8.2574  2.9176  6.555476       7.792084  
1 1 1 -12 84  18 o 29.039  9.3591  545.339    334.761  129.449    497.772  888.763    452.331  23.763  10.342  35.853  10.776  -12.09065      14.93592  
1 1 1 -12 84  19 o 22.291  8.6586  248.727    299.587  311.907    405.296  172.626    444.816  24.851  9.9408  23.398  9.9730  1.452690       14.08121  
1 1 1 -12 85  1  o 59.285  3.4245  1926.99    218.954  1977.91    319.934  1882.13    300.295  59.660  4.9972  58.245  4.8030  1.415283       6.931101  
1 1 1 -12 85  2  o 41.897  7.1363  1012.40    312.225  890.855    429.604  1148.48    454.556  38.345  10.175  43.669  9.8455  -5.324497      14.15894  
1 1 1 -12 85  3  o 17.512  6.4935  136.692    163.787  -0.7693    220.810  304.834    244.212  16.263  6.9814  23.737  8.0088  -7.473883      10.62454  
1 1 1 -12 85  4  o 79.040  3.6016  3418.83    308.326  3489.50    500.926  3375.73    391.212  78.963  5.8997  78.141  4.6432  0.8218384      7.507750  
1 1 1 -12 85  5  o 39.750  5.8212  896.897    243.191  886.106    368.519  905.221    323.676  38.455  9.0061  39.252  7.8871  -0.7970543     11.97150  
1 1 1 -12 85  6  o 87.033  4.1717  4165.77    393.251  4269.07    565.221  4068.84    547.486  87.200  6.0214  85.146  5.9745  2.054756       8.482423  
1 1 1 -12 85  7  o 51.758  3.8206  1478.74    212.667  1451.69    297.026  1507.19    304.631  50.777  5.4881  51.737  5.5216  -0.9601669     7.785077  
1 1 1 -12 85  8  o 25.176  6.6956  371.785    185.746  572.301    269.365  189.995    256.478  30.931  7.9855  21.007  8.0511  9.923462       11.33969  
1 1 1 -12 85  9  o 9.7231  3.0524  51.182     35.799   22.573     251.708  51.772     36.167   17.544  7.4905  9.7771  3.0679  7.766720       8.094414  
1 1 1 -12 85  10 o 44.022  2.3171  1059.38    110.092  1270.78    326.447  1032.26    116.942  46.797  6.6257  43.421  2.4971  3.376156       7.080668  
1 1 1 -12 85  11 o 52.215  2.4480  1488.14    138.446  1513.84    367.142  1483.88    149.481  50.969  6.8216  52.037  2.6611  -1.068275      7.322287  
1 1 1 -12 85  12 o 15.325  6.5793  7.6932     196.111  -95.2870   293.371  90.887     263.685  16.963  7.6283  18.978  7.8561  -2.015854      10.95030  
1 1 1 -12 85  13 o 21.733  7.5505  259.273    217.444  518.399    305.610  -6.4061    309.451  29.033  8.8867  18.603  8.1237  10.43006       12.04025  
1 1 1 -12 85  14 o 38.506  5.5785  855.804    225.884  1382.64    333.872  411.097    306.745  48.636  6.5006  26.346  8.9753  22.29028       11.08217  
1 1 1 -12 85  15 o 43.171  2.2450  1020.42    104.609  1181.06    325.964  1001.98    110.451  44.525  6.9894  42.746  2.3953  1.779301       7.388443  
1 1 1 -12 85  16 o 16.255  6.8747  41.711     208.575  237.323    304.350  -131.5154  286.407  22.356  8.7151  16.094  7.3554  6.261219       11.40415  
1 1 1 -12 85  17 o 43.654  7.7559  1172.28    353.281  1338.86    524.803  1034.24    477.738  44.162  11.010  38.751  10.916  5.410484       15.50442  
1 1 1 -12 85  18 o 29.468  9.3530  562.795    335.302  525.933    500.748  592.756    451.452  29.176  11.233  30.105  10.841  -0.9284744     15.61112  
1 1 1 -12 86  1  o 60.044  3.4481  1978.72    223.302  2182.38    326.633  1800.02    305.971  62.673  4.8496  56.831  5.0225  5.841961       6.981675  
1 1 1 -12 86  2  o 92.702  4.6920  4754.04    469.572  5004.85    651.919  4483.61    676.937  94.269  6.4232  88.828  7.0952  5.440720       9.570746  
1 1 1 -12 86  3  f 68.346  4.3981  2582.94    323.846  2987.77    464.434  2199.83    451.801  72.935  5.9306  62.144  6.8248  10.79105       9.041577  
1 1 1 -12 86  4  o 85.888  4.1998  4059.24    390.690  4238.14    548.403  3874.86    556.731  86.934  5.8584  82.914  6.2452  4.019470       8.562946  
1 1 1 -12 86  5  o 48.105  5.0949  1297.38    261.422  1186.14    349.147  1439.32    394.385  45.141  7.3974  49.748  7.5570  -4.607220      10.57499  
1 1 1 -12 86  6  o 36.849  1.8876  739.891    75.085   744.071    77.585   678.161    298.170  36.946  1.9457  33.629  8.2488  3.317467       8.475124  
1 1 1 -12 86  7  o 31.581  2.2009  545.535    74.813   712.421    290.389  533.671    77.427   34.502  7.9362  31.219  2.3062  3.282522       8.264493  
1 1 1 -12 86  8  o 60.665  3.7336  2032.36    244.130  1801.71    339.010  2280.81    351.851  56.410  5.6236  63.744  5.1399  -7.333904      7.618624  
1 1 1 -12 86  9  o 17.334  6.9461  97.667     198.261  17.118     276.203  183.285    284.760  18.135  7.7973  21.338  8.3971  -3.203217      11.45907  
1 1 1 -12 86  10 o 22.814  7.0135  302.796    190.115  149.793    269.247  454.930    268.482  20.285  8.1066  27.504  8.3104  -7.219666      11.60945  
1 1 1 -12 86  11 o 81.938  3.4248  3693.03    303.940  3700.06    452.068  3687.23    410.591  81.068  5.1756  81.203  4.6883  -0.1353149     6.983325  
1 1 1 -12 86  12 o 40.128  2.0752  879.632    89.885   951.050    327.154  873.800    93.483   39.646  7.8962  39.979  2.1670  -0.3333855     8.188159  
1 1 1 -12 86  13 o 22.937  7.3993  306.162    209.206  561.814    310.963  94.770     282.766  30.052  8.9131  19.462  8.1023  10.58991       12.04537  
1 1 1 -12 86  14 o 65.069  3.7009  2350.08    259.751  2580.45    367.658  2120.50    367.029  67.493  5.0663  60.833  5.6345  6.660633       7.577287  
1 1 1 -12 86  15 o 14.144  6.4775  -121.4405  223.678  112.407    324.128  -334.0595  309.066  20.577  8.6289  14.726  7.0163  5.850931       11.12142  
1 1 1 -12 86  16 o 67.988  4.3053  2596.87    315.399  3232.45    556.455  2296.04    382.834  73.748  7.0524  63.090  5.6628  10.65833       9.044555  
1 1 1 -12 86  17 o 34.717  9.7230  798.989    380.150  1169.83    528.473  401.340    547.244  40.728  11.484  27.827  11.396  12.90073       16.17918  
1 1 1 -12 86  18 o 27.504  8.9575  478.927    306.154  432.530    416.613  533.399    451.411  27.076  10.289  29.048  10.778  -1.971985      14.90068  
1 1 1 -12 87  1  o 24.158  6.2008  340.055    163.067  285.419    212.102  419.028    255.003  22.672  7.4592  26.766  8.1017  -4.094555      11.01265  
1 1 1 -12 87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 87  3  o 70.027  4.1121  2709.10    310.522  3069.25    449.004  2378.93    429.908  73.923  5.6507  64.788  6.2022  9.134193       8.390374  
1 1 1 -12 87  4  o 34.423  6.6457  690.550    238.801  537.177    329.202  860.882    346.926  30.000  9.2301  37.779  8.6631  -7.779398      12.65876  
1 1 1 -12 87  5  o 67.118  3.5175  2478.34    254.817  2509.79    357.424  2445.84    363.381  67.033  4.9581  66.105  5.1151  0.9282608      7.123676  
1 1 1 -12 87  6  f 43.052  4.7420  1040.44    217.451  1038.87    302.902  1042.12    312.361  42.243  6.8552  42.216  7.0821  0.2693558E-01  9.856513  
1 1 1 -12 87  7  o 82.097  3.2716  3696.55    290.905  3831.09    398.203  3542.57    426.006  83.026  4.4442  79.576  4.9675  3.450157       6.665369  
1 1 1 -12 87  8  o 96.154  3.2113  5071.07    334.434  5210.57    468.601  4926.25    477.446  96.897  4.4650  94.102  4.6844  2.795113       6.471471  
1 1 1 -12 87  9  o 18.550  6.8251  165.233    180.305  33.616     253.003  301.065    257.023  17.701  7.5325  23.447  8.2054  -5.746695      11.13850  
1 1 1 -12 87  10 o 34.863  5.8529  703.994    213.176  627.169    318.694  766.203    286.780  31.861  8.8951  35.679  7.6507  -3.817709      11.73268  
1 1 1 -12 87  11 o 68.818  3.7022  2620.52    274.935  2606.53    391.138  2634.18    386.535  67.851  5.3662  68.264  5.2687  -0.4135513     7.520270  
1 1 1 -12 87  12 f 47.470  4.9298  1275.66    249.769  1414.20    369.955  1159.62    338.579  48.878  7.2042  44.112  7.3449  4.766899       10.28819  
1 1 1 -12 87  13 o 73.032  3.5631  2945.25    281.846  3272.00    410.978  2655.14    387.259  76.116  5.0131  68.389  5.2687  7.727623       7.272614  
1 1 1 -12 87  14 o 41.654  5.2694  995.945    232.414  917.410    344.507  1061.54    314.856  38.318  8.5213  42.078  7.1654  -3.759872      11.13352  
1 1 1 -12 87  15 o 35.351  6.5403  745.827    241.195  834.320    389.728  690.892    307.065  35.678  9.7896  33.057  8.5219  2.620548       12.97922  
1 1 1 -12 87  16 o 45.652  6.8863  1248.36    329.913  1375.44    490.208  1143.14    446.047  45.528  10.195  41.510  10.032  4.017597       14.30325  
1 1 1 -12 87  17 o 40.060  8.0408  1000.38    336.753  950.599    479.171  1048.96    473.362  37.006  11.085  39.074  10.817  -2.067898      15.48764  
1 1 1 -12 88  1  o 42.804  6.9126  1065.90    309.555  1065.90    309.555  0.0000     0.0000   42.804  6.9126  ?       ?       0.000000       6.912571  
1 1 1 -12 88  2  o 24.548  8.8533  316.102    301.213  0.0000     0.0000   316.102    301.213  ?       ?       24.548  8.8533  0.000000       8.853258  
1 1 1 -12 88  3  o 54.820  4.0200  1665.07    237.026  1602.98    294.229  1779.87    400.057  53.398  5.1513  55.576  6.7871  -2.178036      8.520551  
1 1 1 -12 88  4  o 42.759  4.0436  1017.08    185.048  911.642    254.661  1135.04    269.353  39.791  6.1037  44.639  5.7012  -4.848267      8.352206  
1 1 1 -12 88  5  o 49.323  4.1993  1353.96    222.199  1438.06    310.560  1265.75    318.046  50.243  5.8143  46.841  6.4393  3.402737       8.675841  
1 1 1 -12 88  6  o 82.820  3.3224  3764.29    298.028  3704.51    418.609  3825.72    424.402  81.465  4.7650  82.798  4.7524  -1.332542      6.729808  
1 1 1 -12 88  7  o 67.619  3.5176  2520.84    256.734  2476.31    367.793  2563.15    358.538  66.348  5.1586  67.615  4.9297  -1.267479      7.135402  
1 1 1 -12 88  8  o 56.738  3.8071  1782.99    232.603  1802.76    336.837  1764.96    321.592  56.343  5.5935  55.839  5.3841  0.5040245      7.763742  
1 1 1 -12 88  9  o 21.489  7.1495  258.598    194.655  194.987    290.000  310.757    262.601  21.625  8.4855  23.731  8.2945  -2.106213      11.86601  
1 1 1 -12 88  10 o 18.523  7.1267  146.389    201.458  264.419    273.775  7.0061     297.512  22.751  8.4034  18.513  8.0260  4.237370       11.62037  
1 1 1 -12 88  11 o 17.177  7.0841  73.654     213.286  -250.7957  303.810  388.968    299.501  15.465  7.2417  25.865  8.8684  -10.40001      11.44949  
1 1 1 -12 88  12 o 14.290  6.3495  -48.9307   196.844  -115.0210  291.018  6.8077     267.256  16.561  7.5086  17.559  7.6096  -0.9976788     10.69046  
1 1 1 -12 88  13 o 43.966  2.2511  1058.05    106.834  1159.29    345.965  1047.38    112.324  43.831  7.5606  43.715  2.3813  0.1163788      7.926726  
1 1 1 -12 88  14 o 33.175  7.2370  669.856    252.726  744.136    389.175  615.690    332.334  33.727  9.9633  31.050  9.2155  2.677046       13.57178  
1 1 1 -12 88  15 o 29.724  8.7601  561.356    301.167  952.165    456.882  261.060    400.495  37.461  10.718  24.235  9.8154  13.22634       14.53357  
1 1 1 -12 88  16 o 30.206  10.311  592.426    404.882  637.914    558.770  542.142    587.488  31.377  11.917  30.150  11.999  1.226954       16.91111  
1 1 1 -12 89  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 89  2  o 46.782  2.2208  1192.16    112.528  1199.08    118.423  1127.80    361.160  46.903  2.3311  43.478  7.9628  3.425392       8.297021  
1 1 1 -12 89  3  o 25.882  6.3495  394.593    176.652  444.595    238.564  333.896    262.846  27.277  7.7246  24.396  8.3083  2.880724       11.34448  
1 1 1 -12 89  4  o 62.115  3.5850  2128.84    240.164  1885.13    335.866  2383.83    343.551  57.744  5.4341  65.234  4.8982  -7.489040      7.315798  
1 1 1 -12 89  5  o 76.910  3.2107  3243.98    267.456  3478.78    376.237  3004.12    380.275  79.093  4.4094  73.296  4.8169  5.797050       6.530372  
1 1 1 -12 89  6  o 77.829  3.3034  3324.91    278.471  3848.18    400.989  2837.47    387.017  83.158  4.4684  71.099  5.0587  12.05930       6.749576  
1 1 1 -12 89  7  o 64.304  3.5194  2281.07    244.184  2146.59    340.449  2423.55    350.423  61.737  5.1381  65.705  4.9606  -3.968422      7.141963  
1 1 1 -12 89  8  o 58.799  3.7840  1914.94    239.706  2029.22    345.468  1808.83    332.873  59.870  5.3852  56.441  5.5157  3.428741       7.708639  
1 1 1 -12 89  9  o 80.011  3.3441  3519.81    289.796  3575.89    399.397  3457.47    421.134  79.974  4.6307  78.441  4.9827  1.533020       6.802268  
1 1 1 -12 89  10 f 46.665  4.8047  1229.36    239.375  1578.39    340.019  886.396    337.056  52.319  6.1157  37.977  8.4156  14.34209       10.40313  
1 1 1 -12 89  11 f 28.381  6.9854  484.970    213.276  550.427    318.750  431.912    286.980  29.759  9.0692  26.778  8.6692  2.980860       12.54615  
1 1 1 -12 89  12 o 19.797  7.4156  189.883    214.673  299.855    342.222  118.534    275.651  24.323  9.3051  19.658  8.0739  4.664827       12.31962  
1 1 1 -12 89  13 o 54.091  4.4546  1646.77    258.659  1869.71    369.495  1432.54    362.211  56.754  6.1070  49.089  7.0117  7.664722       9.298368  
1 1 1 -12 89  14 o 69.230  4.2717  2687.92    318.746  2932.13    570.320  2576.99    384.382  69.770  7.6739  67.147  5.3291  2.623466       9.342797  
1 1 1 -12 89  15 o 24.929  8.4350  372.712    270.907  347.643    377.361  399.372    389.153  25.388  9.7573  26.450  9.9693  -1.061707      13.94964  
1 1 1 -12 89  16 o 36.455  9.0150  855.818    353.960  1129.11    483.266  539.541    519.888  40.698  10.789  29.696  11.442  11.00138       15.72641  
1 1 1 -12 90  1  o 25.862  10.032  314.634    401.711  314.634    401.711  0.0000     0.0000   25.862  10.032  ?       ?       0.000000       10.03181  
1 1 1 -12 90  2  o 100.305 3.0932  5512.37    336.046  5605.51    472.420  5416.97    478.112  100.590 4.3362  98.815  4.4672  1.774200       6.225597  
1 1 1 -12 90  3  o 51.706  3.8497  1481.90    214.051  1480.15    295.398  1483.82    310.602  51.110  5.4188  51.050  5.7155  0.5984116E-01  7.875949  
1 1 1 -12 90  4  o 45.502  4.3438  1157.18    211.475  1292.08    295.231  1015.03    303.066  47.530  5.8589  41.588  6.9752  5.941902       9.109372  
1 1 1 -12 90  5  o 64.464  3.6073  2294.07    250.854  2590.89    351.893  1987.38    357.701  68.031  4.8066  59.165  5.6506  8.865776       7.418414  
1 1 1 -12 90  6  o 31.989  5.9738  595.806    199.365  551.793    266.535  651.706    300.380  30.153  8.0212  32.628  8.4372  -2.474602      11.64157  
1 1 1 -12 90  7  f 41.098  5.0760  958.414    221.145  779.769    304.662  1157.36    321.510  35.836  8.0463  44.428  6.9056  -8.592403      10.60329  
1 1 1 -12 90  8  o 10.949  2.8767  68.035     34.559   117.144    256.832  67.130     34.876   19.289  7.8430  10.882  2.9047  8.407251       8.363584  
1 1 1 -12 90  9  o 77.563  3.4638  3313.21    290.992  3095.58    409.608  3534.96    413.470  74.079  5.1369  79.361  4.8333  -5.282204      7.053214  
1 1 1 -12 90  10 o 27.266  6.7602  445.631    198.652  304.119    282.456  584.138    279.441  23.684  8.5683  30.776  8.2255  -7.092260      11.87749  
1 1 1 -12 90  11 o 41.254  5.2059  973.485    227.434  1063.16    339.343  900.358    306.447  41.881  7.7668  38.545  7.6104  3.335663       10.87390  
1 1 1 -12 90  12 o 48.659  4.5942  1336.87    239.262  1406.91    329.732  1258.97    347.719  49.052  6.3558  45.877  7.2377  3.174458       9.632258  
1 1 1 -12 90  13 o 28.828  7.7876  514.036    248.897  1161.28    468.303  259.224    293.835  41.882  10.377  22.677  8.6349  19.20546       13.49955  
1 1 1 -12 90  14 o 36.326  7.5617  809.585    287.840  765.823    403.581  854.893    410.644  34.001  10.170  35.902  10.123  -1.900211      14.34955  
1 1 1 -12 90  15 o 38.249  8.6147  925.663    348.311  876.030    485.566  978.273    499.921  35.678  11.248  37.570  11.337  -1.892052      15.97046  
1 1 1 -12 91  1  o 36.322  8.1824  800.515    314.171  742.630    431.966  865.520    457.763  34.286  10.577  36.764  10.790  -2.478550      15.10967  
1 1 1 -12 91  2  o 64.197  3.4361  2271.27    238.049  2350.38    331.969  2187.53    341.539  64.798  4.7635  62.352  5.1020  2.445648       6.980056  
1 1 1 -12 91  3  o 112.078 3.1668  6889.47    384.424  7070.99    541.155  6704.56    546.195  112.869 4.4267  109.804 4.5926  3.065353       6.378676  
1 1 1 -12 91  4  o 20.775  6.9797  238.367    185.479  59.681     256.508  434.176    268.517  18.258  7.6674  26.960  8.3429  -8.702229      11.33104  
1 1 1 -12 91  5  o 36.556  5.3839  765.056    206.784  645.416    287.300  893.651    297.858  32.532  8.1662  38.745  7.3671  -6.212872      10.99824  
1 1 1 -12 91  6  o 31.169  6.3820  572.436    208.197  544.161    288.065  603.358    301.249  29.811  8.5044  31.305  8.6140  -1.494015      12.10477  
1 1 1 -12 91  7  o 31.688  6.3720  591.584    211.116  772.946    288.059  381.128    310.305  35.792  7.6619  25.850  9.0176  9.942293       11.83304  
1 1 1 -12 91  8  o 54.308  4.1962  1645.98    244.910  1648.45    338.593  1643.27    354.677  53.575  5.9348  53.323  6.2602  0.2515106      8.626245  
1 1 1 -12 91  9  o 58.484  3.8046  1899.62    239.689  2168.00    343.126  1643.85    334.963  61.866  5.1681  53.466  5.8815  8.399628       7.829536  
1 1 1 -12 91  10 o 24.051  6.9283  345.636    190.311  479.707    312.540  266.631    239.919  27.984  9.0457  22.171  7.9116  5.812832       12.01740  
1 1 1 -12 91  11 o 20.502  7.7965  199.594    239.354  370.407    459.331  135.923    280.439  26.988  10.651  20.070  8.1819  6.918427       13.43059  
1 1 1 -12 91  12 o 14.995  6.8766  -136.8972  253.276  250.249    445.432  -321.8733  307.894  24.905  10.250  14.810  7.0414  10.09447       12.43579  
1 1 1 -12 91  13 o 31.097  8.7222  613.242    305.681  446.102    480.039  727.244    396.452  28.162  10.954  33.254  10.110  -5.092285      14.90676  
1 1 1 -12 91  14 o 18.348  7.9082  33.548     285.492  331.171    450.002  -166.9383  369.337  26.037  10.454  18.042  8.2849  7.995132       13.33860  
1 1 1 -12 92  1  o 76.611  3.2588  3223.14    270.409  3216.13    379.389  3230.37    385.516  75.862  4.6396  75.996  4.7068  -0.1342773     6.609086  
1 1 1 -12 92  2  o 22.785  1.1354  281.625    28.020   285.859    28.197   -53.7013   250.923  22.955  1.1341  16.206  7.1863  6.749346       7.275276  
1 1 1 -12 92  3  o 35.012  5.4597  704.414    200.290  826.694    283.399  582.385    283.108  37.244  7.2864  30.858  8.2928  6.386116       11.03914  
1 1 1 -12 92  4  o 24.460  6.9158  354.868    191.378  518.817    266.387  179.986    275.125  29.200  8.1254  20.993  8.2562  8.207304       11.58390  
1 1 1 -12 92  5  o 44.326  4.6073  1105.31    217.966  864.656    303.595  1361.31    313.127  37.920  7.6556  48.615  6.0797  -10.69428      9.776071  
1 1 1 -12 92  6  o 66.100  3.6487  2416.74    260.212  2672.41    362.500  2144.96    373.749  68.959  4.8850  61.345  5.6899  7.614613       7.499201  
1 1 1 -12 92  7  o 94.014  3.2357  4858.46    329.478  5123.96    451.176  4555.08    482.282  95.984  4.3399  90.012  4.9661  5.971466       6.595175  
1 1 1 -12 92  8  o 65.537  3.5512  2375.98    251.132  2454.94    350.563  2292.73    359.931  65.981  4.9413  63.578  5.2745  2.403103       7.227533  
1 1 1 -12 92  9  o 50.615  4.3571  1437.30    236.536  1456.18    355.971  1422.37    316.518  49.773  6.7795  49.591  6.0160  0.1820526      9.063836  
1 1 1 -12 92  10 f 50.037  4.8058  1417.12    257.250  1768.20    430.853  1222.63    320.685  54.374  7.5169  45.533  6.7030  8.840576       10.07148  
1 1 1 -12 92  11 o 36.911  2.0818  745.413    82.887   1198.91    477.000  731.293    84.168   42.657  10.415  36.549  2.1355  6.108746       10.63146  
1 1 1 -12 92  12 o 44.595  6.9415  1185.88    324.372  1340.08    509.577  1080.83    420.588  44.876  10.645  40.864  9.6558  4.011467       14.37172  
1 1 1 -12 92  13 o 49.204  6.5059  1425.59    338.211  1265.24    526.722  1538.08    441.175  43.093  11.187  49.828  8.4783  -6.735214      14.03665  
1 1 1 -12 93  1  o 70.169  3.1755  2703.10    241.339  2803.34    333.408  2592.77    349.791  70.910  4.3623  67.989  4.7804  2.920517       6.471625  
1 1 1 -12 93  2  o 13.414  5.8811  -26.0041   163.633  -131.0124  219.087  106.473    246.080  13.949  6.3965  18.807  7.6653  -4.857435      9.983570  
1 1 1 -12 93  3  o 66.071  3.5010  2410.27    249.641  2350.99    351.765  2470.42    354.341  64.579  5.0698  66.256  4.9740  -1.676636      7.102386  
1 1 1 -12 93  4  o 80.507  3.2419  3561.37    282.688  3762.39    406.054  3372.30    393.791  82.041  4.5880  77.595  4.7078  4.446266       6.573694  
1 1 1 -12 93  5  o 20.267  6.9392  224.725    183.363  349.477    272.998  122.187    247.502  24.699  8.4670  19.124  7.7264  5.574999       11.46240  
1 1 1 -12 93  6  o 16.956  6.6065  113.809    174.814  85.099     240.954  145.715    254.011  18.201  7.5201  19.743  7.8794  -1.542128      10.89205  
1 1 1 -12 93  7  o 51.876  4.0840  1502.09    227.615  1693.31    324.002  1315.76    319.830  54.428  5.5748  47.531  6.3731  6.896839       8.467297  
1 1 1 -12 93  8  o 39.275  6.2151  902.128    255.586  1099.19    480.378  824.319    301.857  40.840  10.723  36.761  7.8216  4.078381       13.27260  
1 1 1 -12 93  9  f 26.052  7.9035  411.761    242.473  560.204    475.148  359.492    281.948  30.296  11.090  24.891  8.6006  5.405764       14.03394  
1 1 1 -12 93  10 o 18.458  8.0302  10.280     299.892  568.161    438.983  -477.9207  410.654  30.162  10.708  16.514  7.9269  13.64861       13.32304  
1 1 1 -12 93  11 o 65.675  5.5867  2472.91    393.622  2478.72    566.687  2467.49    547.157  63.610  8.4331  63.734  8.1100  -0.1237488     11.70001  
1 1 1 -12 93  12 o 32.196  8.6356  654.679    307.355  803.435    498.639  563.533    390.319  34.478  11.442  29.832  10.125  4.646032       15.27804  
1 1 1 -12 94  1  o 18.074  8.4440  -295.3069  409.139  0.0000     0.0000   -295.3069  409.139  ?       ?       18.074  8.4440  0.000000       8.444001  
1 1 1 -12 94  2  o 25.036  8.3320  365.953    264.363  0.0000     0.0000   365.953    264.363  ?       ?       25.036  8.3320  0.000000       8.332032  
1 1 1 -12 94  3  o 41.702  5.6433  999.913    248.350  1427.06    448.728  811.297    298.183  48.102  8.9420  36.579  7.7663  11.52285       11.84374  
1 1 1 -12 94  4  o 18.208  7.1610  128.938    206.971  364.939    318.097  -44.3254   272.555  25.484  9.1081  16.977  7.5109  8.507074       11.80557  
1 1 1 -12 94  5  o 18.986  7.1444  168.383    199.701  51.853     336.758  231.589    248.015  20.127  8.6306  21.492  7.9864  -1.364794      11.75885  
1 1 1 -12 94  6  f 11.025  5.3289  -289.2501  193.353  -730.2910  332.917  -64.7594   237.518  12.752  6.3267  15.516  6.9289  -2.763917      9.382786  
1 1 1 -12 94  7  f 57.217  4.4706  1837.44    274.850  1923.02    480.357  1795.78    335.131  56.417  8.0928  56.011  5.5993  0.4065933      9.841045  
1 1 1 -12 94  8  o 57.506  5.5063  1890.95    338.768  1486.11    535.686  2160.77    437.323  47.621  10.652  60.719  6.7648  -13.09803      12.61896  
1 1 1 -12 94  9  o 63.245  5.3214  2280.01    361.135  2396.58    502.809  2155.81    519.021  63.382  7.4677  59.472  8.2824  3.909775       11.15187  
1 1 1 -12 94  10 o 25.246  8.6693  375.345    286.259  582.534    384.384  117.349    428.933  30.301  10.045  22.845  9.7666  7.456600       14.01039  
1 1 1 -12 94  11 o 90.890  4.5239  4626.74    445.343  4932.99    638.571  4336.74    621.401  92.122  6.4404  86.098  6.7168  6.024750       9.305600  
1 1 1 -12 95  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 95  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 95  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 95  4  o 60.530  7.2296  2162.39    464.594  0.0000     0.0000   2162.39    464.594  ?       ?       60.530  7.2296  0.000000       7.229580  
1 1 1 -12 95  5  o 37.317  7.0330  831.727    273.833  1167.09    381.327  474.656    393.475  43.612  8.3772  28.311  10.129  15.30061       13.14420  
1 1 1 -12 95  6  o 41.082  6.2787  987.443    270.508  945.997    404.871  1020.86    363.565  38.382  9.7268  40.596  8.5392  -2.213364      12.94329  
1 1 1 -12 95  7  o 49.460  5.3761  1399.35    283.359  1233.82    402.557  1561.91    398.929  44.615  8.6428  51.126  7.4210  -6.511242      11.39166  
1 1 1 -12 95  8  o 27.430  8.5075  462.684    279.039  520.331    375.751  391.804    416.653  29.011  9.9335  26.860  10.269  2.151266       14.28751  
1 1 1 -12 95  9  o 35.766  8.6594  802.991    331.862  963.351    500.939  677.567    443.025  37.714  11.342  32.308  10.787  5.405437       15.65266  
1 1 1 -12 95  10 o 66.347  5.5730  2520.26    396.769  2512.98    580.776  2526.63    543.325  63.981  8.5985  64.722  7.9157  -0.7403526     11.68723  
1 1 1 -12 96  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 96  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 96  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 96  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 96  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 96  6  o 27.401  10.043  433.405    389.890  0.0000     0.0000   433.405    389.890  ?       ?       27.401  10.043  0.000000       10.04321  
1 1 1 -12 96  7  o 52.670  8.6017  1705.56    473.762  0.0000     0.0000   1705.56    473.762  ?       ?       52.670  8.6017  0.000000       8.601682  
1 1 1 -12 96  8  o 22.753  8.6308  259.137    292.851  199.325    420.135  315.659    408.420  23.867  9.9011  25.489  10.048  -1.621923      14.10663  
1 1 1 -12 96  9  o 47.241  6.5781  1312.05    327.448  1408.27    454.975  1208.66    471.636  47.302  9.2118  43.014  10.266  4.287724       13.79305  
1 1 1 -12 97  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 97  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 98  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 98  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 98  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 98  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -12 98  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 0   1  o 582.950 13.710  184631.20  8645.58  184631.20  8645.58  184631.20  8645.58  582.950 13.710  582.950 13.710  0.000000       0.000000  
1 1 1 -11 0   2  o 69.637  3.5079  2646.40    263.052  2646.40    263.052  2646.40    263.052  69.637  3.5079  69.637  3.5079  0.000000       0.000000  
1 1 1 -11 0   3  o 49.117  3.6264  1327.86    190.501  1327.86    190.501  1327.86    190.501  49.117  3.6264  49.117  3.6264  0.000000       0.000000  
1 1 1 -11 0   4  o 667.239 15.559  242000.80  11230.71 242000.80  11230.71 242000.80  11230.71 667.239 15.559  667.239 15.559  0.000000       0.000000  
1 1 1 -11 0   5  f 64.083  3.6163  2245.40    249.177  2245.40    249.177  2245.40    249.177  64.083  3.6163  64.083  3.6163  0.000000       0.000000  
1 1 1 -11 0   6  o 394.948 9.5219  84692.45   4067.85  84692.45   4067.85  84692.45   4067.85  394.948 9.5219  394.948 9.5219  0.000000       0.000000  
1 1 1 -11 0   7  o 632.380 14.792  217396.20  10118.91 217396.20  10118.91 217396.20  10118.91 632.380 14.792  632.380 14.792  0.000000       0.000000  
1 1 1 -11 0   8  o 259.226 6.7777  36484.15   1900.04  36484.15   1900.04  36484.15   1900.04  259.226 6.7777  259.226 6.7777  0.000000       0.000000  
1 1 1 -11 0   9  o 33.424  9.4205  732.871    295.279  732.871    295.279  732.871    295.279  33.424  9.4205  33.424  9.4205  0.000000       0.000000  
1 1 1 -11 0   10 o 366.733 12.681  73266.23   5023.42  73266.23   5023.42  73266.23   5023.42  366.733 12.681  366.733 12.681  0.000000       0.000000  
1 1 1 -11 0   11 o 147.391 4.6646  11804.30   742.972  11804.30   742.972  11804.30   742.972  147.391 4.6646  147.391 4.6646  0.000000       0.000000  
1 1 1 -11 0   12 o 484.697 11.584  127789.70  6073.73  127789.70  6073.73  127789.70  6073.73  484.697 11.584  484.697 11.584  0.000000       0.000000  
1 1 1 -11 0   13 o 528.010 12.550  151809.70  7168.31  151809.70  7168.31  151809.70  7168.31  528.010 12.550  528.010 12.550  0.000000       0.000000  
1 1 1 -11 0   14 f 319.409 7.9411  55449.73   2743.41  55449.73   2743.41  55449.73   2743.41  319.409 7.9411  319.409 7.9411  0.000000       0.000000  
1 1 1 -11 0   15 o 129.864 4.4747  9171.32    627.707  9171.32    627.707  9171.32    627.707  129.864 4.4747  129.864 4.4747  0.000000       0.000000  
1 1 1 -11 0   16 o 462.581 11.084  116590.00  5546.24  116590.00  5546.24  116590.00  5546.24  462.581 11.084  462.581 11.084  0.000000       0.000000  
1 1 1 -11 0   17 o 72.210  4.4289  2857.69    343.403  2857.69    343.403  2857.69    343.403  72.210  4.4289  72.210  4.4289  0.000000       0.000000  
1 1 1 -11 0   18 o 135.478 4.6041  9983.39    673.823  9983.39    673.823  9983.39    673.823  135.478 4.6041  135.478 4.6041  0.000000       0.000000  
1 1 1 -11 0   19 o 15.186  8.9983  137.712    256.280  137.712    256.280  137.712    256.280  15.186  8.9983  15.186  8.9983  0.000000       0.000000  
1 1 1 -11 0   20 o 174.150 5.2386  16494.81   986.088  16494.81   986.088  16494.81   986.088  174.150 5.2386  174.150 5.2386  0.000000       0.000000  
1 1 1 -11 0   21 o 282.438 8.3303  43517.25   2543.31  43517.25   2543.31  43517.25   2543.31  282.438 8.3303  282.438 8.3303  0.000000       0.000000  
1 1 1 -11 0   22 o 285.407 7.2876  44402.37   2249.48  44402.37   2249.48  44402.37   2249.48  285.407 7.2876  285.407 7.2876  0.000000       0.000000  
1 1 1 -11 0   23 o 28.169  1.4472  433.220    43.889   433.220    43.889   433.220    43.889   28.169  1.4472  28.169  1.4472  0.000000       0.000000  
1 1 1 -11 0   24 o 27.789  9.9450  558.245    273.448  558.245    273.448  558.245    273.448  27.789  9.9450  27.789  9.9450  0.000000       0.000000  
1 1 1 -11 0   25 o 92.699  4.9754  4718.75    496.257  4718.75    496.257  4718.75    496.257  92.699  4.9754  92.699  4.9754  0.000000       0.000000  
1 1 1 -11 0   26 o 97.313  4.2625  5183.17    447.310  5183.17    447.310  5183.17    447.310  97.313  4.2625  97.313  4.2625  0.000000       0.000000  
1 1 1 -11 0   27 o 113.003 4.8938  7010.29    596.418  7010.29    596.418  7010.29    596.418  113.003 4.8938  113.003 4.8938  0.000000       0.000000  
1 1 1 -11 0   28 o 12.208  8.2980  -166.8918  332.863  -166.8918  332.863  -166.8918  332.863  12.208  8.2980  12.208  8.2980  0.000000       0.000000  
1 1 1 -11 0   29 o 21.291  11.341  381.367    354.688  381.367    354.688  381.367    354.688  21.291  11.341  21.291  11.341  0.000000       0.000000  
1 1 1 -11 0   30 o 37.829  10.709  981.321    380.020  981.321    380.020  981.321    380.020  37.829  10.709  37.829  10.709  0.000000       0.000000  
1 1 1 -11 0   31 o 11.090  7.8055  -377.1842  367.117  -377.1842  367.117  -377.1842  367.117  11.090  7.8055  11.090  7.8055  0.000000       0.000000  
1 1 1 -11 0   32 o 15.658  9.9308  104.033    364.942  104.033    364.942  104.033    364.942  15.658  9.9308  15.658  9.9308  0.000000       0.000000  
1 1 1 -11 0   33 o 24.577  14.542  658.377    667.600  658.377    667.600  658.377    667.600  24.577  14.542  24.577  14.542  0.000000       0.000000  
1 1 1 -11 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 1   2  o 184.006 3.6205  18339.98   721.563  18723.43   1020.99  17957.34   1019.90  185.900 5.0707  182.055 5.1723  3.844467       7.243292  
1 1 1 -11 1   3  o 200.391 3.8270  21752.38   830.625  21791.60   1175.02  21713.21   1174.35  200.547 5.4095  200.186 5.4162  0.3611450      7.654916  
1 1 1 -11 1   4  o 642.623 10.600  224077.70  7378.03  217449.91  10433.91 230706.09  10434.31 632.393 15.233  651.459 14.788  -19.06610      21.23042  
1 1 1 -11 1   5  o 587.434 9.7418  187196.30  6198.24  188241.91  8765.58  186150.70  8765.69  588.576 13.750  585.286 13.828  3.289551       19.50053  
1 1 1 -11 1   6  o 494.587 8.2666  132642.91  4428.35  133354.41  6262.65  131931.30  6262.61  495.597 11.667  492.939 11.730  2.658264       16.54413  
1 1 1 -11 1   7  o 212.697 4.0196  24507.67   926.011  23954.79   1308.34  25062.66   1310.82  210.249 5.7453  215.058 5.6275  -4.809769      8.042268  
1 1 1 -11 1   8  o 697.679 11.493  264365.19  8685.15  269879.91  12283.04 258851.09  12282.28 703.940 16.110  689.324 16.451  14.61664       23.02529  
1 1 1 -11 1   9  f 210.450 5.6857  24004.31   1295.98  23397.94   1834.93  24607.87   1830.68  207.686 8.1572  212.997 7.9354  -5.311676      11.38026  
1 1 1 -11 1   10 o 128.068 4.3144  8887.04    598.460  8956.67    845.474  8817.13    847.229  128.534 6.0731  127.528 6.1338  1.006546       8.631666  
1 1 1 -11 1   11 o 175.051 3.5479  16601.79   672.680  16559.34   951.444  16644.21   951.181  174.789 5.0257  175.237 5.0115  -0.4477844     7.097396  
1 1 1 -11 1   12 o 654.631 10.838  233182.30  7684.17  234170.20  10867.46 232194.50  10866.65 654.467 15.331  651.674 15.396  2.792603       21.72699  
1 1 1 -11 1   13 o 266.928 4.6764  38626.73   1352.00  40657.93   1915.34  36609.54   1908.72  273.725 6.4604  259.714 6.7854  14.01187       9.369053  
1 1 1 -11 1   14 o 343.778 5.9273  64127.70   2207.01  66251.99   3121.50  62004.29   3120.86  349.104 8.2554  337.684 8.5328  11.42038       11.87270  
1 1 1 -11 1   15 o 256.054 4.7067  35555.50   1305.32  36324.94   1846.31  34786.59   1845.69  258.636 6.5909  253.086 6.7332  5.550873       9.422113  
1 1 1 -11 1   16 o 236.626 4.3830  30364.38   1123.32  29563.36   1591.08  31160.45   1586.15  233.314 6.2962  239.553 6.1133  -6.238663      8.775810  
1 1 1 -11 1   17 o 216.064 4.3263  25319.21   1012.44  24736.81   1535.21  25767.45   1346.83  213.349 6.6436  217.848 5.7081  -4.498978      8.758990  
1 1 1 -11 1   18 o 135.791 3.3603  9995.74    494.221  9685.43    698.994  10305.94   698.875  133.596 4.8307  137.818 4.6819  -4.221619      6.727240  
1 1 1 -11 1   19 o 202.308 4.1155  22201.84   901.798  23458.77   1200.80  20575.95   1365.72  207.839 5.3343  194.521 6.4823  13.31816       8.394899  
1 1 1 -11 1   20 o 133.791 3.2876  9705.86    476.406  9809.78    674.037  9602.12    673.442  134.423 4.6296  132.989 4.6753  1.433640       6.579638  
1 1 1 -11 1   21 o 121.731 3.2040  8036.23    422.432  7928.83    597.403  8143.64    597.416  120.827 4.5649  122.458 4.5042  -1.630424      6.412985  
1 1 1 -11 1   22 f 175.937 3.7264  16803.52   710.085  15894.88   997.794  17735.92   1010.76  170.889 5.3908  180.551 5.1686  -9.662277      7.468332  
1 1 1 -11 1   23 o 20.514  7.1274  207.123    193.763  245.024    284.128  174.173    264.923  23.421  8.5752  21.409  8.1879  2.011885       11.85645  
1 1 1 -11 1   24 o 53.512  3.8597  1566.22    222.199  1563.32    315.044  1569.09    313.436  53.182  5.5512  53.289  5.5101  -0.1066132     7.821549  
1 1 1 -11 1   25 o 163.072 3.7895  14492.29   669.314  13720.98   988.948  15144.20   909.181  158.016 5.7783  166.295 5.0478  -8.278763      7.672631  
1 1 1 -11 1   26 o 82.776  3.7696  3739.54    337.961  3837.23    480.434  3643.85    475.501  83.361  5.3493  81.198  5.4381  2.162567       7.628160  
1 1 1 -11 1   27 o 48.019  4.6636  1278.58    239.492  963.886    371.854  1501.63    313.068  40.445  8.7434  51.804  5.6723  -11.35887      10.42223  
1 1 1 -11 1   28 o 89.943  3.5773  4427.22    348.495  4471.46    493.800  4383.32    491.898  89.773  5.0995  88.868  5.1323  0.9055405      7.235031  
1 1 1 -11 1   29 o 62.954  4.3648  2197.95    295.780  2112.36    419.419  2282.63    417.183  60.871  6.4603  63.445  6.1481  -2.574139      8.918234  
1 1 1 -11 1   30 o 80.764  3.8313  3597.60    335.149  3560.44    475.826  3634.19    472.139  79.378  5.5697  80.262  5.4637  -0.8834305     7.802164  
1 1 1 -11 1   31 o 61.063  4.6695  2095.50    306.484  1795.91    446.433  2362.57    421.508  54.812  7.7349  64.029  6.1538  -9.217506      9.884200  
1 1 1 -11 1   32 o 23.280  8.3444  313.838    267.170  524.896    369.235  81.902     387.068  28.511  9.8428  21.170  9.1662  7.341213       13.44988  
1 1 1 -11 1   33 o 33.322  11.092  860.682    468.534  1032.66    680.727  705.872    645.861  34.096  13.105  30.075  12.356  4.021797       18.01147  
1 1 1 -11 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 2   1  o 648.751 12.181  228496.30  8558.84  222841.41  14824.22 231323.91  10482.45 639.010 21.419  652.360 14.836  -13.35010      26.05492  
1 1 1 -11 2   2  o 687.634 22.826  258319.00  17000.18 0.0000     0.0000   258319.00  17000.18 ?       ?       687.634 22.826  0.000000       22.82581  
1 1 1 -11 2   3  f 331.873 5.7433  59679.84   2064.45  58773.25   2919.25  60586.82   2919.90  329.247 8.1861  334.294 8.0643  -5.046844      11.49114  
1 1 1 -11 2   4  o 456.511 7.6647  112975.70  3789.78  114403.60  5359.67  111548.00  5359.46  459.158 10.777  453.379 10.914  5.778473       15.33839  
1 1 1 -11 2   5  o 234.356 4.3142  29753.44   1095.09  30152.39   1548.46  29354.26   1548.92  235.883 6.0608  232.738 6.1445  3.144989       8.630706  
1 1 1 -11 2   6  o 531.086 8.8413  152970.80  5085.68  153126.00  7192.12  152815.50  7192.34  530.965 12.506  530.425 12.519  0.5403442      17.69554  
1 1 1 -11 2   7  o 504.947 8.4480  138277.50  4620.31  135908.50  6534.08  140646.50  6534.11  500.233 12.060  508.903 11.854  -8.669739      16.91059  
1 1 1 -11 2   8  o 201.074 3.8123  21902.22   830.263  22165.93   1175.19  21639.43   1173.15  202.249 5.3648  199.831 5.4203  2.417740       7.626286  
1 1 1 -11 2   9  o 537.873 12.682  157308.91  7388.40  146562.30  10448.49 168056.59  10449.05 517.971 18.624  554.963 17.384  -36.99194      25.47659  
1 1 1 -11 2   10 o 301.020 7.4669  49151.86   2434.47  49151.86   2434.47  0.0000     0.0000   301.020 7.4669  ?       ?       0.000000       7.466879  
1 1 1 -11 2   11 o 240.772 4.4822  31415.93   1168.88  31110.85   1653.22  31720.89   1652.88  239.516 6.3727  241.856 6.3098  -2.340195      8.967997  
1 1 1 -11 2   12 o 561.006 9.3524  171047.41  5682.79  171649.91  8036.80  170444.91  8036.54  561.001 13.227  559.015 13.273  1.986450       18.73825  
1 1 1 -11 2   13 o 295.424 5.2131  47326.25   1668.07  47429.79   2357.87  47222.50   2360.16  295.553 7.3657  294.904 7.3891  0.6490173      10.43321  
1 1 1 -11 2   14 o 196.035 3.8473  20828.97   816.894  20359.78   1152.50  21302.69   1158.05  193.732 5.4925  198.173 5.3952  -4.441147      7.699099  
1 1 1 -11 2   15 o 119.786 3.0287  7775.12    392.949  7923.15    556.225  7627.64    555.205  120.888 4.2481  118.609 4.3218  2.278221       6.060072  
1 1 1 -11 2   16 o 422.442 7.1851  97001.80   3287.53  96574.78   4649.41  97428.77   4649.12  420.723 10.203  422.593 10.157  -1.870087      14.39701  
1 1 1 -11 2   17 o 259.479 4.6745  36525.88   1313.72  36807.09   1858.28  36244.91   1857.49  260.253 6.5924  258.251 6.6407  2.001740       9.357307  
1 1 1 -11 2   18 o 24.106  6.5346  326.241    174.888  390.160    248.339  263.352    246.331  26.640  7.9799  23.201  8.0377  3.438570       11.32623  
1 1 1 -11 2   19 o 397.033 6.8282  85758.78   2936.31  85352.53   4153.95  86164.48   4151.20  395.173 9.7052  397.068 9.6525  -1.894867      13.68798  
1 1 1 -11 2   20 o 79.889  3.3973  3460.93    293.966  3409.11    416.294  3512.48    415.169  79.083  4.8840  80.287  4.7963  -1.203575      6.845274  
1 1 1 -11 2   21 o 146.042 3.4556  11569.22   546.599  10872.87   766.335  12290.36   779.859  141.452 5.0020  150.411 4.7870  -8.959732      6.923528  
1 1 1 -11 2   22 o 128.046 3.2289  8895.29    447.812  9123.01    628.757  8660.87    637.946  129.566 4.4805  126.223 4.6663  3.342964       6.469089  
1 1 1 -11 2   23 o 101.354 3.1629  5576.34    347.208  5558.78    501.575  5592.50    481.116  101.062 4.5822  101.390 4.3811  -0.3275986     6.339637  
1 1 1 -11 2   24 o 90.215  2.9939  4420.44    292.544  4892.37    441.826  4052.03    390.374  94.761  4.3048  86.255  4.1786  8.506508       5.999292  
1 1 1 -11 2   25 o 66.281  3.9851  2404.24    284.760  2376.23    409.048  2430.58    396.660  65.505  5.8263  66.316  5.5741  -0.8114624     8.063263  
1 1 1 -11 2   26 o 142.520 3.5344  11075.41   545.582  11212.29   786.942  10948.72   757.063  142.878 5.0852  141.241 4.9488  1.637009       7.095752  
1 1 1 -11 2   27 o 76.660  2.9330  3201.32    243.534  2841.27    440.561  3359.74    292.244  71.417  5.7441  78.448  3.4395  -7.031227      6.695119  
1 1 1 -11 2   28 o 41.505  5.8942  976.886    257.523  962.134    368.911  990.908    359.651  40.221  8.7197  40.950  8.3909  -0.7286186     12.10121  
1 1 1 -11 2   29 o 107.887 3.4947  6382.35    408.366  6552.16    581.519  6217.15    573.596  108.644 4.9418  105.796 5.0057  2.847488       7.034127  
1 1 1 -11 2   30 o 68.661  4.2712  2620.98    316.060  2370.98    464.987  2835.68    430.908  64.029  6.8094  70.744  5.6714  -6.715332      8.861865  
1 1 1 -11 2   31 o 20.468  7.9559  182.118    253.069  -301.6097  364.382  632.858    351.738  16.767  7.8765  31.677  9.4988  -14.91033      12.33963  
1 1 1 -11 2   32 o 15.185  6.9564  -123.8164  258.282  43.916     357.632  -306.6766  373.411  20.048  8.7445  16.655  7.8698  3.393143       11.76434  
1 1 1 -11 2   33 f 33.637  10.964  870.860    458.656  1192.35    683.444  607.426    618.661  36.289  13.298  28.873  11.999  7.415874       17.91111  
1 1 1 -11 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 3   1  o 377.385 6.3968  77180.58   2614.66  80133.13   3697.94  74228.86   3697.43  384.412 8.8816  369.960 9.2273  14.45233       12.80728  
1 1 1 -11 3   2  o 348.759 5.9554  65909.85   2249.62  62490.10   3181.22  69330.53   3181.66  339.477 8.6519  357.598 8.2146  -18.12015      11.93046  
1 1 1 -11 3   3  o 461.808 7.6982  115611.60  3850.53  113583.90  5445.23  117639.70  5445.70  457.500 10.989  465.613 10.798  -8.112946      15.40654  
1 1 1 -11 3   4  o 318.437 5.5398  54943.99   1910.67  55658.48   2702.01  54229.40   2702.19  320.418 7.7857  316.273 7.8883  4.144684       11.08346  
1 1 1 -11 3   5  o 229.335 4.2489  28491.97   1055.40  28490.72   1491.64  28493.22   1493.49  229.293 6.0062  229.303 6.0134  -0.9872437E-02 8.499201  
1 1 1 -11 3   6  o 138.387 3.0124  10372.98   451.514  9862.77    636.457  10889.92   640.637  134.928 4.3551  141.782 4.1718  -6.854111      6.030799  
1 1 1 -11 3   7  o 591.141 9.7851  189607.80  6265.06  186071.70  8859.85  193144.30  8860.41  585.019 13.983  596.076 13.724  -11.05731      19.59237  
1 1 1 -11 3   8  o 655.558 12.507  233537.80  8880.41  232864.50  15380.42 233874.41  10876.55 652.342 21.768  655.467 15.320  -3.125061      26.61897  
1 1 1 -11 3   9  o 670.243 15.714  244798.09  11407.36 244798.09  11407.36 0.0000     0.0000   670.243 15.714  ?       ?       0.000000       15.71386  
1 1 1 -11 3   10 o 359.031 12.398  70124.23   4821.18  70124.23   4821.18  0.0000     0.0000   359.031 12.398  ?       ?       0.000000       12.39800  
1 1 1 -11 3   11 o 165.912 3.4380  14913.27   617.803  14926.77   874.034  14899.79   873.377  165.954 4.8626  165.803 4.8634  0.1500397      6.877329  
1 1 1 -11 3   12 o 463.993 7.7665  116877.40  3903.09  114542.80  5519.24  119213.00  5520.36  458.746 11.108  468.051 10.889  -9.304535      15.55529  
1 1 1 -11 3   13 o 308.937 5.4047  51760.20   1808.47  52185.69   2557.83  51334.88   2557.29  309.987 7.6183  307.443 7.6797  2.544312       10.81742  
1 1 1 -11 3   14 o 32.773  4.7908  594.716    165.038  842.388    242.067  379.596    225.599  38.962  5.9228  26.160  7.5456  12.80169       9.592439  
1 1 1 -11 3   15 o 88.588  2.9988  4252.47    287.734  4750.36    408.963  3764.43    404.902  93.610  4.0336  83.198  4.5101  10.41115       6.050736  
1 1 1 -11 3   16 o 229.779 4.3099  28631.27   1072.63  28584.96   1520.05  28677.20   1513.83  229.438 6.1168  229.811 6.0818  -0.3733826     8.625750  
1 1 1 -11 3   17 o 233.505 4.3514  29572.57   1100.53  30468.56   1557.21  28678.50   1555.55  236.847 6.0703  229.764 6.2507  7.083176       8.713214  
1 1 1 -11 3   18 o 239.226 4.6508  31051.58   1205.06  31967.88   1597.94  29843.31   1834.95  242.567 6.0822  234.210 7.2335  8.356369       9.450742  
1 1 1 -11 3   19 f 136.803 3.3009  10146.09   489.098  9912.31    691.847  10379.65   691.532  135.142 4.7266  138.298 4.6166  -3.156082      6.607127  
1 1 1 -11 3   20 o 211.206 4.0763  24203.79   932.489  23589.04   1318.88  24818.28   1318.59  208.295 5.8460  213.675 5.6975  -5.379333      8.163169  
1 1 1 -11 3   21 o 75.111  2.6985  3058.30    219.528  2950.13    372.160  3116.02    271.864  73.548  4.6964  75.797  3.3115  -2.249489      5.746501  
1 1 1 -11 3   22 o 44.988  4.5387  1111.08    218.132  1338.65    311.448  891.964    305.605  49.212  5.9650  39.778  7.3645  9.433708       9.477220  
1 1 1 -11 3   23 o 58.269  3.7447  1852.43    235.083  2113.42    334.379  1597.35    330.568  62.085  5.0154  53.797  5.7629  8.288296       7.639735  
1 1 1 -11 3   24 o 37.124  5.2950  767.956    206.875  622.647    286.398  926.491    299.149  32.917  8.0904  40.468  7.0831  -7.551064      10.75293  
1 1 1 -11 3   25 o 97.902  3.4581  5218.12    366.694  4959.27    539.331  5440.64    500.061  94.974  5.2636  99.760  4.6280  -4.786110      7.008859  
1 1 1 -11 3   26 o 111.529 3.4499  6780.25    416.737  6774.47    608.347  6785.35    572.037  111.067 5.0570  111.248 4.7475  -0.1807098     6.936276  
1 1 1 -11 3   27 o 58.153  2.7900  1841.14    175.729  2050.98    397.759  1790.25    195.882  60.471  6.1589  57.213  3.1735  3.258904       6.928441  
1 1 1 -11 3   28 o 47.171  5.2129  1245.95    261.882  1629.83    378.117  892.046    363.055  53.519  6.6676  38.654  8.8611  14.86517       11.08949  
1 1 1 -11 3   29 o 52.747  4.8856  1555.79    275.949  1659.40    400.021  1461.71    381.164  53.611  7.0608  50.200  7.2179  3.411423       10.09715  
1 1 1 -11 3   30 o 26.966  8.1825  434.478    259.874  637.135    389.889  272.470    348.601  32.056  10.075  24.233  9.3604  7.822807       13.75233  
1 1 1 -11 3   31 o 59.433  4.5517  1982.33    290.776  1943.87    418.991  2018.06    403.866  57.614  6.8485  58.973  6.4269  -1.359039      9.391899  
1 1 1 -11 3   32 o 45.537  5.7654  1214.42    277.985  1076.61    400.177  1342.94    386.442  40.505  9.3158  46.436  7.9706  -5.930466      12.26033  
1 1 1 -11 3   33 o 21.618  9.7802  41.260     490.636  -970.4636  670.914  1204.32    719.344  18.306  9.0645  36.037  13.560  -17.73056      16.31048  
1 1 1 -11 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 4   1  o 602.544 9.9777  196946.00  6511.62  200803.91  9209.02  193088.50  9208.61  607.924 13.986  596.091 14.263  11.83264       19.97604  
1 1 1 -11 4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 4   3  o 138.450 3.0716  10382.38   460.604  10158.04   651.393  10606.71   651.394  136.935 4.3920  139.927 4.2981  -2.992401      6.145132  
1 1 1 -11 4   4  o 537.284 8.9145  156549.30  5187.67  152728.91  7336.18  160370.20  7336.76  530.301 12.773  543.442 12.465  -13.14081      17.84675  
1 1 1 -11 4   5  o 279.290 4.9705  42261.52   1503.57  42131.13   2125.41  42392.14   2127.32  278.796 7.0386  279.659 7.0232  -0.8627930     9.943176  
1 1 1 -11 4   6  o 334.681 5.7898  60698.54   2098.78  59768.95   2967.12  61629.41   2969.14  332.000 8.2514  337.134 8.1313  -5.133881      11.58461  
1 1 1 -11 4   7  f 702.104 11.558  267677.19  8789.62  275924.09  12430.73 259431.20  12430.09 711.935 16.121  690.215 16.627  21.71985       23.15911  
1 1 1 -11 4   8  o 284.829 5.8064  43967.78   1791.26  43112.38   2192.59  45684.42   3106.09  281.989 7.1789  290.131 9.8844  -8.141327      12.21627  
1 1 1 -11 4   9  o 675.451 12.903  248122.91  9439.74  248122.91  9439.74  0.0000     0.0000   675.451 12.903  ?       ?       0.000000       12.90317  
1 1 1 -11 4   10 o 341.601 8.4880  63329.47   3140.47  57156.31   4444.56  69484.46   4438.02  324.102 12.661  357.502 11.461  -33.40054      17.07845  
1 1 1 -11 4   11 o 377.710 6.4684  77372.29   2646.20  75690.84   3742.23  79053.86   3742.36  373.301 9.2555  381.528 9.0563  -8.226990      12.94915  
1 1 1 -11 4   12 o 369.538 6.3626  74076.53   2546.61  73741.70   3602.52  74410.96   3600.39  368.392 9.0287  370.066 8.9825  -1.674255      12.73594  
1 1 1 -11 4   13 o 382.436 6.5167  79370.08   2699.33  78818.98   3817.68  79921.03   3817.18  380.704 9.2585  383.368 9.1930  -2.663544      13.04726  
1 1 1 -11 4   14 o 96.605  2.9813  5056.56    311.947  4751.46    436.105  5376.23    446.395  93.620  4.3008  99.589  4.1385  -5.968834      5.968586  
1 1 1 -11 4   15 o 176.806 3.5779  16942.88   685.158  17678.03   969.941  16210.71   967.982  180.534 4.9604  172.867 5.1699  7.666260       7.164756  
1 1 1 -11 4   16 o 352.056 6.0967  67301.34   2324.76  67147.37   3288.08  67455.23   3287.34  351.179 8.6446  351.988 8.6228  -0.8088989     12.20986  
1 1 1 -11 4   17 o 116.430 3.1201  7346.92    393.458  7168.03    564.318  7516.15    548.870  114.954 4.5324  117.722 4.3047  -2.767746      6.250864  
1 1 1 -11 4   18 o 48.364  3.9134  1276.74    203.240  1186.39    288.884  1365.29    285.987  46.367  5.8849  49.859  5.3811  -3.492313      7.974264  
1 1 1 -11 4   19 o 213.760 4.0455  24785.33   936.624  26115.96   1321.94  23444.02   1327.24  219.265 5.5664  207.707 5.8997  11.55823       8.111159  
1 1 1 -11 4   20 o 161.576 3.7067  14160.67   648.679  14036.78   961.493  14264.17   878.812  160.712 5.5237  162.059 5.0067  -1.347382      7.455061  
1 1 1 -11 4   21 o 137.275 3.2963  10220.50   490.096  10569.34   694.621  9874.70    691.590  139.499 4.5973  134.825 4.7360  4.674026       6.600381  
1 1 1 -11 4   22 o 117.254 3.1769  7458.69    403.458  6960.54    571.861  7952.40    569.299  113.154 4.6660  120.979 4.3447  -7.824440      6.375613  
1 1 1 -11 4   23 o 78.413  3.3034  3338.53    280.560  3694.44    400.158  2994.41    393.470  82.273  4.5078  73.981  4.9388  8.291954       6.686719  
1 1 1 -11 4   24 o 148.502 3.3936  11988.02   545.832  11534.47   772.997  12439.05   770.855  145.366 4.9096  151.005 4.7132  -5.639130      6.805723  
1 1 1 -11 4   25 o 27.183  7.5012  422.883    228.062  430.810    338.430  416.288    308.676  28.279  9.4280  27.610  8.9945  0.6697712      13.03025  
1 1 1 -11 4   26 o 69.199  4.0237  2624.97    300.273  2132.58    445.687  3034.24    406.337  61.632  6.7892  74.158  5.0897  -12.52604      8.485231  
1 1 1 -11 4   27 o 78.990  3.7729  3412.01    322.788  3406.01    452.865  3418.22    460.206  78.360  5.3682  78.473  5.4483  -0.1133194     7.648653  
1 1 1 -11 4   28 f 72.929  3.8742  2924.01    304.921  2897.13    440.667  2948.70    422.361  71.972  5.6996  72.730  5.4002  -0.7580719     7.851591  
1 1 1 -11 4   29 o 47.984  5.4091  1299.07    276.217  1547.55    415.101  1101.62    370.032  51.456  7.6836  43.028  8.2400  8.427933       11.26654  
1 1 1 -11 4   30 o 44.808  5.7987  1149.60    274.822  916.734    410.714  1338.39    369.811  38.161  9.8647  47.645  7.4068  -9.483433      12.33585  
1 1 1 -11 4   31 o 22.559  8.0787  275.134    250.371  372.682    363.517  187.098    345.337  26.085  9.6737  22.427  9.1035  3.658291       13.28361  
1 1 1 -11 4   32 o 49.281  2.2609  1329.16    120.679  1336.50    127.087  1261.88    384.919  49.390  2.3757  44.773  8.2412  4.617256       8.576766  
1 1 1 -11 4   33 o 23.410  10.189  219.390    483.244  -453.3918  823.784  572.374    596.696  22.641  10.957  28.385  11.789  -5.744373      16.09489  
1 1 1 -11 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 5   1  o 497.839 8.2829  134376.50  4466.26  138569.80  6316.49  130183.90  6316.01  505.271 11.542  489.708 11.908  15.56290       16.58361  
1 1 1 -11 5   2  o 431.821 7.2601  101073.30  3395.59  101716.60  4802.11  100430.00  4802.06  433.001 10.239  430.249 10.305  2.752045       14.52696  
1 1 1 -11 5   3  o 51.514  2.4793  1437.26    138.332  1611.38    193.990  1257.11    197.316  54.443  3.3054  48.022  3.8254  6.421066       5.055620  
1 1 1 -11 5   4  f 459.304 7.7224  114365.50  3841.72  116667.60  5432.89  112063.20  5433.12  463.670 10.818  454.409 11.039  9.261078       15.45614  
1 1 1 -11 5   5  o 267.468 4.7973  38758.39   1389.76  38540.24   1964.14  38977.10   1966.70  266.658 6.8006  268.166 6.7712  -1.507996      9.596716  
1 1 1 -11 5   6  o 336.578 5.8150  61389.27   2119.86  60261.04   2997.48  62518.20   2998.40  333.360 8.3018  339.554 8.1529  -6.193756      11.63569  
1 1 1 -11 5   7  o 308.173 5.3606  51461.55   1789.28  52403.75   2531.50  50520.94   2529.35  310.894 7.5179  305.251 7.6504  5.642365       10.72598  
1 1 1 -11 5   8  o 341.189 6.7417  63106.21   2491.35  61741.07   3050.35  65841.41   4317.74  337.387 8.3474  348.171 11.450  -10.78424      14.16949  
1 1 1 -11 5   9  o 408.469 8.0017  90505.23   3540.05  90505.23   3540.05  0.0000     0.0000   408.469 8.0017  ?       ?       0.000000       8.001673  
1 1 1 -11 5   10 o 483.170 9.3639  126759.00  4900.35  127362.70  6002.57  125552.60  8485.10  484.006 11.450  479.585 16.335  4.420776       19.94853  
1 1 1 -11 5   11 o 60.022  3.5544  1958.75    230.043  2069.52    284.919  1751.31    389.902  61.649  4.2938  56.455  6.4949  5.194149       7.785933  
1 1 1 -11 5   12 o 274.953 4.9346  40982.21   1469.53  38119.33   2077.97  43846.49   2078.48  265.022 7.2392  284.274 6.7505  -19.25259      9.898242  
1 1 1 -11 5   13 f 72.576  2.9019  2853.66    228.106  3384.63    324.150  2332.78    321.053  79.028  3.7870  65.440  4.5581  13.58777       5.925978  
1 1 1 -11 5   14 o 75.476  2.9979  3086.57    245.073  3595.28    356.277  2629.68    337.644  81.442  4.0390  69.498  4.5099  11.94362       6.054150  
1 1 1 -11 5   15 o 304.941 5.3602  50450.77   1770.38  48858.48   2502.47  52046.20   2504.93  299.798 7.7067  309.458 7.4735  -9.660278      10.73529  
1 1 1 -11 5   16 o 67.463  3.2236  2466.56    235.545  2737.82    343.588  2226.04    323.538  70.908  4.4970  63.889  4.7087  7.019058       6.511138  
1 1 1 -11 5   17 o 240.292 4.4831  31319.62   1166.77  31266.33   1650.69  31372.84   1649.42  239.893 6.3530  240.303 6.3373  -0.4102020     8.973375  
1 1 1 -11 5   18 o 209.070 4.0713  23706.15   921.921  22797.01   1304.21  24614.13   1303.38  204.860 5.8779  212.893 5.6525  -8.032410      8.154751  
1 1 1 -11 5   19 o 53.782  2.4794  1567.40    144.431  1565.05    162.219  1576.39    317.234  53.664  2.8006  53.587  5.5460  0.7755661E-01  6.213058  
1 1 1 -11 5   20 o 52.536  4.1610  1507.06    234.836  1301.30    323.655  1735.82    341.261  48.506  6.3100  56.226  5.6817  -7.720833      8.491004  
1 1 1 -11 5   21 o 45.858  4.4956  1152.96    220.422  1163.25    313.591  1142.91    309.888  45.762  6.5104  45.355  6.4936  0.4071846      9.195248  
1 1 1 -11 5   22 o 71.250  3.5128  2755.20    271.082  2587.22    397.563  2901.15    370.591  68.735  5.3832  72.898  4.7189  -4.162804      7.158723  
1 1 1 -11 5   23 o 177.183 3.6759  17057.00   705.426  17060.63   997.586  17053.38   997.660  176.912 5.2062  176.874 5.2077  0.3794861E-01  7.363766  
1 1 1 -11 5   24 o 126.931 3.2317  8755.48    444.289  9282.73    631.295  8238.07    625.385  130.492 4.4666  122.888 4.6986  7.604813       6.482850  
1 1 1 -11 5   25 o 49.739  2.4384  1343.34    131.363  1496.51    368.432  1321.04    140.603  51.635  6.7493  49.242  2.6459  2.392979       7.249412  
1 1 1 -11 5   26 o 50.392  4.7714  1404.43    257.322  958.007    376.594  1795.39    352.423  40.472  8.8386  56.771  5.8134  -16.29929      10.57911  
1 1 1 -11 5   27 o 56.991  4.5937  1795.58    281.146  1670.68    394.426  1924.57    400.854  54.280  6.8623  58.461  6.4374  -4.180836      9.409109  
1 1 1 -11 5   28 o 42.958  5.6651  1042.12    257.154  995.560    374.066  1083.84    354.096  40.927  8.7062  43.057  7.8833  -2.130436      11.74499  
1 1 1 -11 5   29 o 82.199  3.8110  3714.05    339.295  3794.53    504.578  3647.63    458.409  82.156  5.7059  80.761  5.2695  1.395012       7.766882  
1 1 1 -11 5   30 o 33.414  7.3019  666.998    256.880  754.848    375.944  590.059    351.821  34.731  9.6486  30.972  9.5440  3.758617       13.57145  
1 1 1 -11 5   31 o 30.534  7.7542  570.209    256.921  314.909    372.943  800.812    354.446  25.112  9.6869  35.630  9.1401  -10.51792      13.31825  
1 1 1 -11 5   32 o 39.882  1.9470  868.176    84.104   884.134    86.356   574.153    370.676  40.241  1.9813  29.504  9.8673  10.73708       10.06425  
1 1 1 -11 5   33 f 29.769  10.866  665.188    455.709  92.991     695.125  1096.46    603.487  24.486  11.289  35.755  12.570  -11.26901      16.89498  
1 1 1 -11 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 6   1  o 520.330 8.5952  146805.70  4844.03  152910.09  6850.73  140702.20  6850.26  530.730 11.918  509.050 12.424  21.68005       17.21623  
1 1 1 -11 6   2  o 176.666 3.5296  16905.87   675.371  17340.52   955.273  16471.49   954.964  178.904 4.9299  174.362 5.0567  4.542480       7.062131  
1 1 1 -11 6   3  o 130.841 2.9617  9272.48    419.719  9408.69    592.082  9134.90    595.073  131.789 4.1479  129.857 4.2309  1.932434       5.925038  
1 1 1 -11 6   4  o 210.378 3.9706  23975.13   904.755  23381.26   1278.68  24570.54   1280.35  207.726 5.6833  212.946 5.5512  -5.220261      7.944585  
1 1 1 -11 6   5  o 304.107 5.3427  50109.34   1759.78  50364.03   2487.63  49854.21   2489.77  304.800 7.5353  303.251 7.5803  1.548523       10.68839  
1 1 1 -11 6   6  o 364.339 6.2494  71941.08   2466.13  71744.13   3487.21  72138.12   3488.06  363.703 8.8524  364.702 8.8303  -0.9986267     12.50356  
1 1 1 -11 6   7  o 410.959 6.8920  91550.05   3067.72  91880.53   3542.42  90558.87   6134.82  411.634 7.9455  408.123 13.878  3.511017       15.99191  
1 1 1 -11 6   8  o 855.194 19.972  399644.09  18499.58 399644.09  18499.58 0.0000     0.0000   855.194 19.972  ?       ?       0.000000       19.97225  
1 1 1 -11 6   9  o 543.596 10.456  160482.70  6155.94  160482.70  6155.94  0.0000     0.0000   543.596 10.456  ?       ?       0.000000       10.45557  
1 1 1 -11 6   10 o 452.068 8.7876  110932.90  4302.72  111089.20  5270.33  110620.40  7450.84  452.123 10.762  450.371 15.274  1.751648       18.68523  
1 1 1 -11 6   11 o 100.922 3.3434  5517.96    365.461  5717.25    449.374  5128.68    628.057  102.719 4.0391  97.069  6.0032  5.649620       7.235573  
1 1 1 -11 6   12 o 181.930 3.6707  17934.59   723.306  17211.95   1023.07  18656.78   1022.74  178.172 5.3015  185.508 5.0902  -7.336044      7.349537  
1 1 1 -11 6   13 f 289.817 5.1056  45545.79   1602.67  46118.96   2267.13  44973.24   2265.91  291.451 7.1819  287.799 7.2691  3.651947       10.21862  
1 1 1 -11 6   14 f 246.007 4.5032  32811.93   1199.88  33240.13   1697.64  32384.49   1696.14  247.468 6.3337  244.255 6.4113  3.212631       9.012233  
1 1 1 -11 6   15 o 380.858 6.5282  78768.72   2692.94  78977.88   3808.75  78559.63   3808.03  380.844 9.2335  379.829 9.2564  1.014923       13.07430  
1 1 1 -11 6   16 o 166.208 3.4958  14973.71   629.325  14948.85   891.041  14998.45   888.964  165.996 4.9560  166.273 4.9362  -0.2763367     6.994846  
1 1 1 -11 6   17 o 236.657 4.4351  30378.41   1136.83  29074.39   1608.40  31680.22   1607.04  231.322 6.4196  241.499 6.1438  -10.17737      8.885828  
1 1 1 -11 6   18 o 105.339 3.1042  6014.38    354.172  6223.52    511.550  5821.83    490.842  107.109 4.4095  103.596 4.3745  3.512878       6.211307  
1 1 1 -11 6   19 o 357.743 6.6408  69611.74   2573.12  69462.59   3380.21  69817.28   3967.92  356.788 8.7471  357.193 10.256  -0.4049072     13.47972  
1 1 1 -11 6   20 o 348.471 6.4146  66076.39   2421.05  66381.73   3738.55  65855.85   3177.28  348.125 9.9151  347.282 8.4470  0.8431091      13.02540  
1 1 1 -11 6   21 o 192.252 3.8243  20057.15   796.333  19622.13   1122.81  20497.44   1129.59  189.955 5.4574  194.158 5.3715  -4.203140      7.657434  
1 1 1 -11 6   22 o 167.262 3.8752  15191.45   702.042  15113.73   943.965  15287.64   1050.18  166.651 5.2297  167.516 5.7881  -0.8645782     7.800792  
1 1 1 -11 6   23 o 36.199  5.3692  729.818    204.128  656.776    292.495  799.171    285.013  33.890  8.0821  37.555  7.2696  -3.665546      10.87049  
1 1 1 -11 6   24 f 86.674  3.2158  4082.41    301.886  4521.79    431.176  3659.91    422.810  91.086  4.3705  81.757  4.7958  9.329338       6.488496  
1 1 1 -11 6   25 o 42.956  1.6819  1000.56    78.252   788.351    110.779  1211.90    110.553  37.996  2.7096  47.256  2.1599  -9.260338      3.465152  
1 1 1 -11 6   26 o 102.532 3.3487  5728.62    371.887  5859.56    538.699  5609.41    514.023  103.358 4.8121  101.160 4.6914  2.198494       6.720531  
1 1 1 -11 6   27 o 38.728  6.3459  854.754    256.962  1086.87    360.193  614.187    366.694  43.246  7.9839  32.340  9.6989  10.90655       12.56232  
1 1 1 -11 6   28 o 81.396  3.7597  3630.20    331.457  3693.39    493.169  3578.15    447.633  81.336  5.6328  80.237  5.1785  1.098595       7.651462  
1 1 1 -11 6   29 o 50.734  5.1714  1446.13    280.199  1340.43    421.819  1529.60    374.848  47.417  8.5269  51.503  6.8926  -4.086010      10.96435  
1 1 1 -11 6   30 o 45.001  5.6129  1155.82    267.627  1353.29    391.418  982.456    366.748  47.671  7.8544  40.070  8.6998  7.601337       11.72085  
1 1 1 -11 6   31 o 31.479  7.6184  604.281    256.953  341.065    374.321  838.838    353.356  25.599  9.7464  36.537  8.9904  -10.93758      13.25973  
1 1 1 -11 6   32 o 72.042  3.0325  2864.99    236.625  2758.26    279.879  3132.47    443.075  70.280  3.6897  73.491  5.6087  -3.211067      6.713562  
1 1 1 -11 6   33 o 19.893  9.0971  -46.7832   438.965  -610.8363  679.790  356.624    574.893  20.019  9.7491  25.776  11.166  -5.757179      14.82291  
1 1 1 -11 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 7   1  o 159.995 3.3203  13865.43   575.382  13692.99   813.282  14038.23   814.145  158.981 4.7231  160.974 4.6696  -1.992371      6.641707  
1 1 1 -11 7   2  o 625.498 10.351  212270.09  7012.57  216797.70  9917.32  207742.59  9917.22  631.576 14.498  618.197 14.811  13.37891       20.72575  
1 1 1 -11 7   3  o 362.253 6.1519  71113.21   2413.74  69964.35   3413.04  72262.73   3414.03  359.193 8.7729  365.053 8.6346  -5.859863      12.30933  
1 1 1 -11 7   4  o 685.278 16.019  255476.30  11889.74 255744.80  16815.19 255207.91  16814.06 684.076 22.695  683.351 22.717  0.7246094      32.11132  
1 1 1 -11 7   5  o 379.190 6.4678  77926.95   2656.34  77384.22   3755.88  78470.10   3757.38  377.719 9.1806  380.364 9.1204  -2.644775      12.94088  
1 1 1 -11 7   6  o 437.436 7.3471  103734.30  3480.98  100603.50  4922.25  106866.60  4923.46  430.546 10.555  443.773 10.243  -13.22739      14.70853  
1 1 1 -11 7   7  o 349.990 6.9634  66402.92   2639.66  66452.40   3232.35  66303.88   4573.62  350.033 8.5259  349.377 12.086  0.6558228      14.79089  
1 1 1 -11 7   8  o 426.121 8.3049  98489.86   3832.98  97712.07   4693.47  100047.30  6641.62  424.263 10.214  428.812 14.300  -4.548920      17.57307  
1 1 1 -11 7   9  o 406.158 7.9685  89486.80   3505.45  89486.80   3505.45  0.0000     0.0000   406.158 7.9685  ?       ?       0.000000       7.968533  
1 1 1 -11 7   10 o 600.331 11.463  195958.41  7453.75  197948.41  9129.36  191979.70  12909.06 602.782 13.983  591.737 20.142  11.04559       24.51980  
1 1 1 -11 7   11 o 138.286 3.6379  10360.96   544.881  10916.41   671.565  9290.84    932.142  141.929 4.3686  130.713 6.6055  11.21654       7.919417  
1 1 1 -11 7   12 o 332.520 5.8074  59964.66   2091.56  58184.90   2415.44  65298.50   4181.53  327.461 6.8103  346.333 11.147  -18.87161      13.06305  
1 1 1 -11 7   13 o 352.642 6.0525  67468.89   2311.73  66790.13   3269.77  68147.24   3268.78  350.535 8.6122  354.092 8.5231  -3.556824      12.11670  
1 1 1 -11 7   14 o 352.429 6.0800  67405.76   2320.86  67643.90   3282.68  67167.76   3281.71  352.681 8.5936  351.433 8.6216  1.248230       12.17299  
1 1 1 -11 7   15 o 230.289 4.3095  28754.56   1074.90  29057.95   1518.75  28450.06   1521.51  231.365 6.0607  228.925 6.1364  2.439697       8.624772  
1 1 1 -11 7   16 o 246.209 4.5181  32877.01   1204.85  33187.55   1706.98  32568.69   1700.86  247.188 6.3758  244.868 6.4131  2.319809       9.043098  
1 1 1 -11 7   17 o 199.084 3.8681  21490.11   834.081  19404.96   1177.61  23589.22   1181.54  189.042 5.7514  208.477 5.2326  -19.43503      7.775532  
1 1 1 -11 7   18 o 89.869  3.0343  4377.42    295.348  4631.21    420.385  4130.05    415.038  92.403  4.2004  87.142  4.4117  5.261017       6.091500  
1 1 1 -11 7   19 o 238.732 4.6767  30932.15   1209.27  30133.90   1838.83  31540.43   1605.20  235.278 7.2159  240.876 6.1527  -5.598373      9.482855  
1 1 1 -11 7   20 o 217.966 4.1912  25781.50   989.461  25285.54   1400.56  26275.68   1398.06  215.629 5.9969  219.829 5.8718  -4.200226      8.392884  
1 1 1 -11 7   21 o 122.273 3.2606  8108.66    431.818  7149.77    613.345  9051.08    608.055  114.704 4.9369  129.108 4.3483  -14.40308      6.578813  
1 1 1 -11 7   22 o 97.050  2.9960  5108.99    314.925  5622.67    424.800  4482.17    469.253  101.759 3.8543  90.663  4.7957  11.09599       6.152612  
1 1 1 -11 7   23 o 144.617 3.5424  11361.16   554.860  12507.74   815.027  10370.70   757.508  151.514 4.9665  137.947 5.0700  13.56700       7.097233  
1 1 1 -11 7   24 o 139.134 3.3139  10522.39   499.387  10552.81   715.464  10493.48   697.363  139.064 4.7501  138.696 4.6422  0.3679047      6.641802  
1 1 1 -11 7   25 o 49.652  4.6934  1360.00    249.407  1507.89    345.625  1199.32    360.261  51.953  6.2689  45.930  7.5008  6.022713       9.775523  
1 1 1 -11 7   26 o 41.067  2.0511  915.468    91.233   927.281    95.078   778.238    324.067  41.272  2.1342  36.518  8.3721  4.754562       8.639808  
1 1 1 -11 7   27 o 19.611  2.3645  212.077    49.210   203.306    49.733   622.153    340.066  19.182  2.4498  32.470  9.2322  -13.28860      9.551670  
1 1 1 -11 7   28 o 97.281  3.5504  5179.08    374.089  5047.29    552.861  5290.37    508.059  95.253  5.3808  97.902  4.7913  -2.649460      7.204831  
1 1 1 -11 7   29 o 105.009 3.4989  6048.08    397.948  6138.29    574.412  5964.83    551.833  105.074 5.0473  103.648 4.9156  1.425972       7.045412  
1 1 1 -11 7   30 o 79.985  3.7856  3528.06    327.951  3586.84    475.447  3474.72    452.957  79.664  5.5448  78.512  5.3586  1.152084       7.710993  
1 1 1 -11 7   31 f 33.391  7.3526  674.519    258.717  218.565    376.823  1081.11    355.840  23.505  9.5205  42.097  8.0982  -18.59271      12.49884  
1 1 1 -11 7   32 o 62.736  2.1735  2152.82    147.689  2192.97    211.464  2114.60    206.356  62.996  3.0992  61.868  3.0795  1.128017       4.369049  
1 1 1 -11 7   33 o 26.228  10.481  453.112    450.084  735.525    702.672  256.631    586.099  30.311  12.708  24.823  10.996  5.488649       16.80481  
1 1 1 -11 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 8   1  o 340.240 5.8302  62728.59   2148.52  62235.03   3038.38  63222.21   3038.57  338.798 8.2800  341.478 8.2155  -2.679596      11.66419  
1 1 1 -11 8   2  o 271.763 4.8237  40012.39   1419.85  40934.07   2007.91  39090.60   2008.03  274.822 6.7456  268.558 6.9034  6.264587       9.651936  
1 1 1 -11 8   3  o 200.712 3.8488  21822.25   836.709  21815.70   1182.33  21828.82   1184.24  200.656 5.4402  200.716 5.4474  -0.6019592E-01 7.698700  
1 1 1 -11 8   4  o 241.520 4.4280  31600.98   1158.32  32717.53   1637.27  30482.15   1638.94  245.710 6.1522  237.162 6.3804  8.548492       8.863337  
1 1 1 -11 8   5  o 149.630 3.2051  12127.13   519.428  12037.81   732.148  12217.65   737.040  149.063 4.5348  150.173 4.5314  -1.109360      6.410752  
1 1 1 -11 8   6  o 696.854 10.204  263513.91  7701.73  266352.00  9942.59  259256.20  12178.06 700.135 13.111  690.119 16.292  10.01550       20.91287  
1 1 1 -11 8   7  o 284.441 5.6414  43844.33   1738.00  39601.86   2126.72  52374.53   3015.65  270.270 7.2651  310.725 8.9606  -40.45447      11.53575  
1 1 1 -11 8   8  o 151.458 4.5716  12428.91   749.940  12428.91   749.940  0.0000     0.0000   151.458 4.5716  ?       ?       0.000000       4.571572  
1 1 1 -11 8   9  o 552.896 10.594  166047.91  6344.15  166047.91  6344.15  0.0000     0.0000   552.896 10.594  ?       ?       0.000000       10.59399  
1 1 1 -11 8   10 o 725.270 13.807  286548.81  10845.64 280837.00  13283.52 297970.41  18784.14 716.878 17.108  735.452 23.581  -18.57391      29.13344  
1 1 1 -11 8   11 o 441.914 8.6519  106044.10  4141.12  104092.30  5071.77  109947.80  7172.77  437.516 10.703  448.822 14.755  -11.30655      18.22805  
1 1 1 -11 8   12 o 86.813  2.9055  4082.88    273.200  4174.95    319.944  3835.01    524.944  87.781  3.3651  83.891  5.8132  3.890129       6.716947  
1 1 1 -11 8   13 o 284.125 5.0574  43774.58   1556.35  43291.95   2201.44  44256.83   2200.58  282.368 7.1981  285.506 7.1163  -3.137787      10.12198  
1 1 1 -11 8   14 o 270.716 4.8619  39742.71   1425.58  40764.41   2016.96  38722.81   2015.19  273.997 6.7964  267.030 6.9676  6.967346       9.733425  
1 1 1 -11 8   15 o 442.445 7.5048  106402.30  3596.40  107440.00  5086.51  105364.90  5085.65  443.796 10.582  439.458 10.685  4.337616       15.03792  
1 1 1 -11 8   16 o 56.175  2.4789  1709.72    150.827  1482.06    173.052  2429.23    307.645  52.205  3.0741  66.795  4.2749  -14.58978      5.265412  
1 1 1 -11 8   17 o 159.223 3.3884  13742.15   584.355  13431.26   823.619  14057.27   829.215  157.336 4.8331  160.966 4.7562  -3.629654      6.780924  
1 1 1 -11 8   18 o 113.104 3.1047  6933.71    380.337  7359.24    534.505  6497.28    541.315  116.479 4.2368  109.432 4.5671  7.047905       6.229621  
1 1 1 -11 8   19 o 50.016  3.9900  1365.53    214.348  2121.46    308.493  659.940    298.045  62.354  4.6003  34.117  8.1731  28.23662       9.378813  
1 1 1 -11 8   20 o 109.989 3.0999  6558.79    369.289  5878.02    514.185  7284.04    530.713  104.056 4.5623  115.854 4.2294  -11.79831      6.221111  
1 1 1 -11 8   21 o 174.612 3.6630  16543.12   692.756  15914.28   988.425  17150.25   971.210  171.079 5.3343  177.635 5.0479  -6.556549      7.344147  
1 1 1 -11 8   22 o 140.317 3.3464  10684.24   508.582  10540.18   722.543  10825.70   715.989  139.219 4.7918  141.105 4.6848  -1.885971      6.701386  
1 1 1 -11 8   23 o 271.265 4.9640  40095.09   1458.46  39523.90   2063.85  40664.86   2061.31  268.470 7.0976  272.369 6.9874  -3.899628      9.959896  
1 1 1 -11 8   24 o 114.594 3.1418  7135.61    389.953  6315.03    550.910  7959.58    552.046  107.576 4.7282  120.867 4.2169  -13.29156      6.335488  
1 1 1 -11 8   25 o 36.856  6.7368  772.916    259.013  1698.23    448.659  310.368    317.212  54.749  7.7853  25.294  9.0896  29.45557       11.96797  
1 1 1 -11 8   26 o 28.194  7.9009  458.466    250.943  507.050    430.538  433.468    308.826  30.736  10.627  27.904  8.9889  2.832180       13.91917  
1 1 1 -11 8   27 o 67.323  4.3183  2496.47    313.220  2557.97    536.694  2464.70    385.722  67.039  7.5212  66.580  5.3953  0.4592056      9.256204  
1 1 1 -11 8   28 o 78.617  2.9828  3372.15    253.983  3552.11    312.954  3024.93    434.707  80.554  3.5869  73.622  5.4910  6.932365       6.558769  
1 1 1 -11 8   29 o 57.566  4.5401  1844.12    280.781  1545.17    409.466  2109.45    385.762  51.438  7.5765  61.048  5.9081  -9.609512      9.607757  
1 1 1 -11 8   30 o 58.081  4.5709  1886.43    285.220  1955.75    415.569  1824.69    392.170  58.113  6.7267  56.195  6.5671  1.917297       9.400827  
1 1 1 -11 8   31 o 38.104  1.8046  790.209    74.478   637.593    379.815  796.312    75.952   31.667  9.9427  38.248  1.8334  -6.580544      10.11031  
1 1 1 -11 8   32 o 52.207  2.6383  1501.69    148.701  1502.38    160.704  1497.55    392.140  52.143  2.8564  49.269  7.5923  2.873688       8.111880  
1 1 1 -11 8   33 o 27.451  10.627  531.246    450.156  -207.5713  708.372  1031.71    583.014  22.577  10.718  34.890  12.346  -12.31241      16.34913  
1 1 1 -11 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 9   1  o 651.320 10.799  230200.00  7617.89  225734.59  10773.12 234665.70  10773.52 644.294 15.438  656.967 15.141  -12.67352      21.62328  
1 1 1 -11 9   2  o 610.814 10.048  202404.41  6647.77  205616.59  9401.31  199192.20  9401.42  615.117 14.111  605.398 14.338  9.719666       20.11704  
1 1 1 -11 9   3  o 356.026 6.1476  68689.86   2370.60  69728.95   3352.15  67650.30   3352.91  358.592 8.6308  353.200 8.7646  5.392517       12.30077  
1 1 1 -11 9   4  o 779.133 14.712  330035.09  12415.22 333504.69  21503.82 328300.31  15205.47 780.195 25.447  776.310 18.084  3.884644       31.21855  
1 1 1 -11 9   5  o 287.860 5.0828  44896.48   1584.72  43807.05   2240.31  45987.52   2241.96  284.274 7.2762  291.269 7.1066  -6.995514      10.17087  
1 1 1 -11 9   6  o 344.901 5.8757  64464.91   2194.96  63967.24   2534.32  65958.88   4390.97  343.527 6.8113  348.529 11.632  -5.002258      13.47944  
1 1 1 -11 9   7  o 314.188 6.2694  53503.49   2133.46  50588.86   2611.73  59348.98   3698.68  305.436 7.8947  330.671 10.327  -25.23483      12.99910  
1 1 1 -11 9   8  o 574.365 11.006  179168.41  6846.92  179168.41  6846.92  0.0000     0.0000   574.365 11.006  ?       ?       0.000000       11.00619  
1 1 1 -11 9   9  o 142.811 3.1217  11047.86   482.856  10087.59   557.899  13914.49   963.928  136.455 3.7748  160.225 5.5545  -23.77022      6.715773  
1 1 1 -11 9   10 o 272.410 5.5650  40226.22   1641.96  42104.89   2014.49  36507.88   2834.10  278.639 6.6750  259.225 10.094  19.41339       12.10151  
1 1 1 -11 9   11 o 246.382 5.2470  32907.51   1400.20  31266.86   1714.90  36188.71   2425.21  240.091 6.5947  258.148 8.6738  -18.05675      10.89608  
1 1 1 -11 9   12 o 92.543  2.9057  4639.65    291.247  4544.67    338.673  4909.34    570.675  91.584  3.4142  94.985  5.5714  -3.400780      6.534355  
1 1 1 -11 9   13 o 407.844 6.9509  90302.77   3070.46  88582.73   4342.62  92022.30   4341.96  403.422 9.9385  411.219 9.7486  -7.796783      13.92155  
1 1 1 -11 9   14 o 148.598 3.2696  11965.54   526.235  12073.82   742.069  11856.00   746.367  149.224 4.5913  147.869 4.6602  1.354843       6.541995  
1 1 1 -11 9   15 o 245.296 4.4504  32627.75   1182.40  32766.94   1671.10  32488.20   1673.23  245.660 6.2805  244.610 6.3156  1.050674       8.906830  
1 1 1 -11 9   16 o 217.728 4.1282  25704.79   973.523  24768.72   1377.61  26638.57   1375.93  213.583 5.9551  221.519 5.7348  -7.936188      8.267467  
1 1 1 -11 9   17 o 159.943 3.4217  13867.03   592.762  14523.44   845.626  13232.91   831.145  163.611 4.7719  156.164 4.9139  7.446899       6.849645  
1 1 1 -11 9   18 o 127.726 3.1943  8842.85    441.903  9066.40    635.433  8633.47    614.961  129.270 4.5384  126.148 4.5009  3.122223       6.391791  
1 1 1 -11 9   19 f 149.509 3.4082  12119.51   551.899  12642.07   766.631  11557.35   795.156  152.622 4.6377  145.899 5.0319  6.722534       6.843071  
1 1 1 -11 9   20 o 282.948 5.0945  43488.91   1561.28  43842.11   2209.65  43136.79   2206.32  283.666 7.1919  281.363 7.2399  2.302399       10.20487  
1 1 1 -11 9   21 o 202.940 3.9615  22353.81   870.752  24195.76   1742.20  21740.49   1005.32  210.493 7.6417  200.053 4.6397  10.44005       8.939953  
1 1 1 -11 9   22 o 171.401 3.5855  15947.63   665.623  15555.45   1324.71  16080.08   769.865  168.665 7.2515  172.045 4.1315  -3.379715      8.345812  
1 1 1 -11 9   23 o 240.561 4.4654  31497.59   1163.47  30575.72   2319.52  31807.50   1344.89  235.156 9.1069  241.544 5.1407  -6.388306      10.45767  
1 1 1 -11 9   24 o 51.213  2.1353  1422.63    118.445  1381.34    356.394  1427.76    125.583  49.669  6.8036  51.301  2.2601  -1.631527      7.169232  
1 1 1 -11 9   25 o 94.247  3.1758  4832.57    324.183  5659.08    666.919  4576.86    370.957  101.185 6.1141  91.638  3.7375  9.546585       7.165941  
1 1 1 -11 9   26 o 110.815 3.2195  6689.03    386.414  7035.33    777.912  6575.60    445.227  112.515 6.4099  109.759 3.7452  2.755890       7.423816  
1 1 1 -11 9   27 o 24.530  7.2292  344.312    205.107  318.089    425.736  352.238    234.060  26.991  10.366  24.978  7.7991  2.012976       12.97236  
1 1 1 -11 9   28 f 3.7175  1.8471  -71.1401   28.778   -74.9838   28.974   211.097    248.278  3.6693  1.8280  21.437  7.9858  -17.76818      8.192337  
1 1 1 -11 9   29 o 45.142  2.2404  1109.44    109.539  1826.60    472.386  1068.68    112.609  55.740  8.0585  44.231  2.3591  11.50915       8.396729  
1 1 1 -11 9   30 o 18.082  7.6688  42.916     260.717  -209.5658  427.366  192.584    329.039  19.446  8.9231  22.389  8.9566  -2.943363      12.64289  
1 1 1 -11 9   31 o 6.7081  2.6557  13.398     28.643   206.752    359.394  12.162     28.735   22.977  9.3008  6.6396  2.6500  16.33701       9.670980  
1 1 1 -11 9   32 o 23.806  1.9881  311.643    50.794   308.468    51.330   461.346    352.441  23.678  2.0209  26.988  9.5934  -3.310429      9.803991  
1 1 1 -11 9   33 o 28.436  12.389  552.721    716.091  552.721    716.091  0.0000     0.0000   28.436  12.389  ?       ?       0.000000       12.38937  
1 1 1 -11 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 10  1  o 328.848 5.6090  58596.16   1997.80  56994.75   2825.04  60198.19   2825.59  324.229 8.0446  333.226 7.8289  -8.997192      11.22525  
1 1 1 -11 10  2  o 498.365 8.3249  134667.91  4493.64  128173.50  6354.48  141164.20  6355.45  485.874 12.075  509.962 11.506  -24.08801      16.67938  
1 1 1 -11 10  3  o 179.618 3.5088  17475.83   682.627  16694.51   963.638  18262.83   967.131  175.536 5.0685  183.600 4.8634  -8.063400      7.024407  
1 1 1 -11 10  4  o 440.939 7.3352  105395.90  3503.16  100197.70  4953.38  110597.70  4955.07  429.695 10.643  451.488 10.133  -21.79330      14.69533  
1 1 1 -11 10  5  o 573.208 8.4436  178176.30  5242.17  182934.70  6767.29  171037.09  8289.19  580.567 10.762  560.997 13.642  19.56909       17.37604  
1 1 1 -11 10  6  o 381.055 7.5716  78724.70   3124.95  81882.73   3826.56  72401.69   5414.54  388.525 9.0933  364.959 13.698  23.56573       16.44125  
1 1 1 -11 10  7  o 485.767 10.430  128089.40  5487.61  128689.80  6040.84  125254.70  13126.28 486.787 11.457  476.944 25.502  9.843567       27.95792  
1 1 1 -11 10  8  o 538.782 10.297  157607.80  6009.07  157607.80  6009.07  0.0000     0.0000   538.782 10.297  ?       ?       0.000000       10.29732  
1 1 1 -11 10  9  o 335.928 5.8454  61171.02   2126.81  60124.01   2455.44  64316.01   4255.65  332.984 6.8083  343.993 11.422  -11.00946      13.29724  
1 1 1 -11 10  10 o 172.724 4.1381  16165.32   774.155  14773.18   949.198  18931.11   1337.91  165.090 5.3084  186.837 6.6114  -21.74742      8.478767  
1 1 1 -11 10  11 o 450.733 8.7881  110338.70  4290.26  109598.80  5254.89  111817.90  7429.77  448.888 10.808  452.461 15.161  -3.572876      18.61907  
1 1 1 -11 10  12 o 363.273 6.2456  71590.32   2457.43  71283.76   2837.89  72509.23   4913.31  362.388 7.2302  364.668 12.440  -2.279449      14.38818  
1 1 1 -11 10  13 f 205.710 4.6210  22942.07   1029.60  22684.53   1263.72  23450.54   1775.67  204.493 5.7056  207.758 7.8910  -3.264633      9.737675  
1 1 1 -11 10  14 o 336.525 5.8915  61454.58   2147.40  61329.01   3038.54  61579.88   3035.22  335.839 8.3534  336.529 8.3272  -0.6904602     11.79498  
1 1 1 -11 10  15 o 126.832 3.0715  8717.13    421.943  9511.77    599.301  7936.06    594.166  132.452 4.1775  120.972 4.5347  11.47980       6.165653  
1 1 1 -11 10  16 o 398.420 6.8139  86261.31   2940.41  85653.20   4158.09  86869.59   4158.65  396.320 9.6867  399.143 9.6195  -2.823303      13.65168  
1 1 1 -11 10  17 o 101.571 3.0084  5591.10    330.955  5628.63    471.477  5554.65    464.679  101.873 4.2730  101.202 4.2393  0.6705017      6.019140  
1 1 1 -11 10  18 o 376.706 6.4862  77140.87   2646.42  78111.61   3743.71  76171.27   3741.51  378.367 9.1352  373.604 9.2462  4.763000       12.99787  
1 1 1 -11 10  19 o 247.508 4.8566  33255.30   1301.94  34273.69   2431.75  32846.08   1541.48  250.546 8.9611  245.856 5.7888  4.690674       10.66824  
1 1 1 -11 10  20 o 138.285 3.4003  10370.06   509.286  10049.81   1061.07  10465.93   580.527  135.614 7.2501  138.895 3.8589  -3.280548      8.213094  
1 1 1 -11 10  21 o 39.528  1.8597  846.585    79.619   796.953    378.421  848.884    81.442   37.401  9.3631  39.581  1.8997  -2.180107      9.553848  
1 1 1 -11 10  22 o 54.987  3.7032  1649.02    219.265  1344.39    404.342  1775.92    260.968  48.942  7.8966  57.011  4.2570  -8.069611      8.970926  
1 1 1 -11 10  23 o 176.428 3.8191  16920.03   729.791  16835.85   1720.31  16938.50   805.901  174.231 9.1481  176.453 4.2168  -2.221695      10.07323  
1 1 1 -11 10  24 o 107.253 2.9861  6249.12    346.880  5685.99    630.034  6494.08    415.531  101.722 5.7419  109.270 3.5110  -7.547295      6.730290  
1 1 1 -11 10  25 o 111.902 3.1556  6812.57    382.462  7020.66    777.866  6746.23    439.220  112.624 6.4033  111.271 3.6444  1.353615       7.367748  
1 1 1 -11 10  26 f 105.308 3.2023  6040.61    365.248  6506.55    737.178  5889.01    420.490  108.223 6.3165  103.870 3.7376  4.353111       7.339445  
1 1 1 -11 10  27 o 24.535  7.2293  344.549    205.127  590.172    428.058  271.332    233.709  32.102  10.598  22.752  7.8321  9.349922       13.17837  
1 1 1 -11 10  28 o 72.085  3.6282  2852.53    282.371  2926.09    552.588  2826.53    328.498  71.620  7.2222  71.574  4.2567  0.4566193E-01  8.383245  
1 1 1 -11 10  29 o 21.561  1.1722  252.878    27.272   0.0000     0.0000   252.878    27.272   ?       ?       21.561  1.1722  0.000000       1.172187  
1 1 1 -11 10  30 o 36.125  2.1356  713.367    83.189   688.255    458.854  714.220    84.590   33.120  10.975  36.141  2.1710  -3.021545      11.18761  
1 1 1 -11 10  31 o 30.245  7.0012  551.697    224.817  741.640    451.994  489.259    259.147  33.686  10.877  28.216  8.0720  5.470158       13.54502  
1 1 1 -11 10  32 o 4.8608  2.2709  -28.4757   29.595   -30.1793   29.706   196.961    341.720  4.8180  2.2587  21.894  8.9907  -17.07608      9.270045  
1 1 1 -11 10  33 o 34.660  13.568  1124.93    740.023  1124.93    740.023  0.0000     0.0000   34.660  13.568  ?       ?       0.000000       13.56803  
1 1 1 -11 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 11  1  o 773.649 14.560  325352.09  12200.09 308642.09  21131.83 333706.31  14941.76 750.458 25.998  782.839 17.622  -32.38080      31.40760  
1 1 1 -11 11  2  o 82.990  2.6080  3730.33    234.424  3157.51    329.775  4315.48    333.304  76.241  4.0076  89.258  3.4476  -13.01704      5.286496  
1 1 1 -11 11  3  o 812.141 26.952  361867.91  23707.56 0.0000     0.0000   361867.91  23707.56 ?       ?       812.141 26.952  0.000000       26.95165  
1 1 1 -11 11  4  o 728.570 12.011  288230.19  9478.44  289973.41  13404.09 286486.59  13404.98 729.807 16.957  725.383 17.062  4.424805       24.05542  
1 1 1 -11 11  5  o 502.381 8.3771  136864.50  4558.21  137126.41  5262.97  136078.20  9118.50  502.750 9.6652  499.915 16.841  2.834503       19.41701  
1 1 1 -11 11  6  o 473.536 9.1638  121641.80  4699.98  121411.60  5755.13  122102.80  8143.86  472.885 11.236  473.629 15.875  -0.7435608     19.44950  
1 1 1 -11 11  7  o 216.914 5.8194  25499.99   1367.22  25499.99   1367.22  0.0000     0.0000   216.914 5.8194  ?       ?       0.000000       5.819422  
1 1 1 -11 11  8  o 382.187 7.4320  79210.76   3076.45  79210.76   3076.45  0.0000     0.0000   382.187 7.4320  ?       ?       0.000000       7.431963  
1 1 1 -11 11  9  o 623.197 10.262  210955.09  6926.70  208554.00  7998.09  218159.59  13854.31 619.317 11.923  631.020 20.271  -11.70380      23.51757  
1 1 1 -11 11  10 o 481.113 9.2757  125705.30  4833.51  125876.40  5920.72  125363.40  8369.30  481.103 11.362  479.102 16.128  2.001251       19.72883  
1 1 1 -11 11  11 o 122.737 3.5041  8161.92    465.817  7740.27    571.481  8996.68    804.084  119.508 4.4150  128.809 5.7635  -9.301193      7.260185  
1 1 1 -11 11  12 o 342.028 5.9453  63452.98   2202.45  61676.70   2543.09  68783.20   4405.33  337.107 6.9650  355.342 11.446  -18.23492      13.39880  
1 1 1 -11 11  13 o 48.725  3.4528  1292.99    181.038  1180.48    212.931  1586.47    343.902  46.470  4.2786  53.741  6.0113  -7.270737      7.378458  
1 1 1 -11 11  14 o 120.733 2.9840  7898.10    390.211  9223.65    551.009  6564.50    552.679  130.448 3.8999  110.029 4.6376  20.41915       6.059440  
1 1 1 -11 11  15 o 191.429 3.7628  19864.07   780.163  19807.22   1169.71  19909.62   1047.08  191.041 5.6530  191.576 5.0463  -0.5348511     7.577701  
1 1 1 -11 11  16 o 276.827 4.9550  41577.20   1485.66  41357.69   2102.05  41796.29   2100.03  275.839 7.0359  277.304 6.9920  -1.465179      9.919221  
1 1 1 -11 11  17 o 310.311 5.4680  52275.51   1837.80  53167.68   2600.38  51385.18   2597.70  312.577 7.6809  307.268 7.8055  5.308594       10.95089  
1 1 1 -11 11  18 o 303.263 5.3645  49934.90   1762.06  51062.21   3522.39  49558.64   2034.98  305.506 10.645  301.983 6.2217  3.523285       12.32988  
1 1 1 -11 11  19 o 180.617 3.6478  17690.94   713.604  17294.68   1423.08  17824.05   824.799  178.206 7.3728  181.254 4.2014  -3.048050      8.485885  
1 1 1 -11 11  20 o 143.504 3.3115  11167.00   514.709  12633.77   1025.36  10672.90   595.122  152.388 6.2123  140.257 3.9175  12.13101       7.344397  
1 1 1 -11 11  21 o 106.272 2.9769  6124.03    342.648  5116.06    698.076  6443.96    393.286  96.650  6.7101  108.994 3.3315  -12.34467      7.491634  
1 1 1 -11 11  22 o 135.715 3.3115  9995.41    486.770  9737.94    935.705  10090.95   569.965  133.565 6.4681  136.311 3.8605  -2.746094      7.532586  
1 1 1 -11 11  23 o 38.546  2.2089  808.303    91.836   1249.65    338.882  773.322    95.406   47.284  6.8138  37.689  2.3489  9.595390       7.207253  
1 1 1 -11 11  24 o 42.574  4.1965  997.132    190.990  920.887    332.661  1034.62    233.266  40.124  7.9358  43.222  5.0798  -3.097752      9.422397  
1 1 1 -11 11  25 o 25.241  7.1570  362.625    204.658  145.858    423.861  428.525    233.706  24.525  10.035  27.351  7.6106  -2.826420      12.59476  
1 1 1 -11 11  26 o 49.486  4.5048  1352.24    238.808  2039.49    477.178  1122.60    275.836  59.989  7.5086  44.743  5.8304  15.24607       9.506434  
1 1 1 -11 11  27 o 37.958  5.4401  811.878    217.261  1236.92    450.715  683.221    247.973  45.632  9.4311  34.372  6.9006  11.25979       11.68600  
1 1 1 -11 11  28 o 52.202  4.3563  1509.73    244.056  2106.77    487.689  1310.26    281.894  60.480  7.6137  48.280  5.4882  12.19963       9.385560  
1 1 1 -11 11  29 o 39.124  2.0843  835.128    88.002   826.219    93.448   904.940    261.602  38.893  2.2276  39.613  6.3087  -0.7201538     6.690474  
1 1 1 -11 11  30 o 3.3182  1.6802  -106.2530  30.113   346.204    427.255  -108.5117  30.188   26.642  10.343  3.2973  1.6710  23.34506       10.47676  
1 1 1 -11 11  31 o 29.139  7.1656  514.794    224.573  256.112    448.547  601.328    259.429  25.182  10.316  31.321  7.7013  -6.138353      12.87366  
1 1 1 -11 11  32 o 55.554  2.6254  1696.96    157.972  1638.73    185.586  1850.16    301.000  54.320  3.1681  56.746  4.9468  -2.426613      5.874349  
1 1 1 -11 11  33 o 18.148  8.3107  -79.5948   368.118  0.0000     0.0000   -79.5948   368.118  ?       ?       18.148  8.3107  0.000000       8.310709  
1 1 1 -11 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 12  1  o 405.054 6.8261  88926.05   2994.73  91168.19   4235.18  86683.88   4235.21  409.966 9.5379  399.740 9.7820  10.22659       13.66232  
1 1 1 -11 12  2  o 434.106 7.3175  102152.80  3440.54  102426.40  4865.32  101879.20  4866.00  434.479 10.339  433.315 10.368  1.164459       14.64203  
1 1 1 -11 12  3  f 463.655 7.6647  116545.40  3849.13  120029.10  5443.09  113060.70  5443.90  470.296 10.686  456.411 11.012  13.88544       15.34466  
1 1 1 -11 12  4  o 779.737 18.254  331311.59  15416.48 346799.50  21801.67 315822.09  21802.72 795.486 25.304  758.680 26.533  36.80554       36.66430  
1 1 1 -11 12  5  o 252.790 4.5908  34620.80   1256.95  35518.38   1451.13  31924.00   2515.33  256.030 5.2329  242.578 9.5736  13.45171       10.91039  
1 1 1 -11 12  6  o 395.651 7.6446  84876.34   3275.95  80751.35   4010.32  93149.59   5679.44  385.783 9.5977  414.052 12.664  -28.26837      15.89023  
1 1 1 -11 12  7  o 293.219 6.0277  46599.31   1914.31  46599.31   1914.31  0.0000     0.0000   293.219 6.0277  ?       ?       0.000000       6.027675  
1 1 1 -11 12  8  o 251.386 4.8920  34244.08   1331.99  33933.83   1438.73  36105.34   3523.92  250.231 5.3084  257.684 12.626  -7.453384      13.69659  
1 1 1 -11 12  9  o 394.198 6.6624  84261.45   2844.55  82248.31   3284.69  90299.61   5688.66  389.369 7.7887  407.359 12.893  -17.98984      15.06320  
1 1 1 -11 12  10 o 368.418 7.3392  73637.70   2928.61  70881.68   3587.74  79141.06   5069.84  361.277 9.1688  381.324 12.275  -20.04718      15.32149  
1 1 1 -11 12  11 o 207.465 4.6084  23328.50   1035.54  22026.10   1268.40  25931.77   1793.26  201.541 5.8106  218.581 7.5746  -17.03967      9.546640  
1 1 1 -11 12  12 o 110.732 3.0014  6643.07    359.974  5870.90    417.009  8900.93    713.081  104.087 3.6990  128.125 5.1385  -24.03847      6.331354  
1 1 1 -11 12  13 o 206.882 3.9061  23197.22   875.259  24210.43   1012.63  20204.32   1740.40  211.327 4.4241  192.798 8.3344  18.52919       9.435853  
1 1 1 -11 12  14 o 276.873 4.8948  41573.92   1467.87  43308.87   2079.38  39850.59   2072.40  282.405 6.7982  270.866 7.0640  11.53940       9.803823  
1 1 1 -11 12  15 o 198.392 4.0432  21338.73   868.795  22158.71   1312.52  20699.28   1159.06  202.033 5.9981  195.306 5.4793  6.727127       8.123996  
1 1 1 -11 12  16 f 173.126 3.2148  16244.30   602.818  15084.41   953.824  17015.71   777.862  166.720 5.2822  177.148 4.0541  -10.42796      6.658608  
1 1 1 -11 12  17 o 179.111 3.5917  17391.98   696.769  17138.61   1390.14  17476.99   805.217  177.514 7.2303  179.517 4.1413  -2.003143      8.332306  
1 1 1 -11 12  18 o 128.946 3.1302  9012.44    437.170  8491.42    868.620  9189.19    505.915  124.819 6.4471  130.186 3.5879  -5.367241      7.378223  
1 1 1 -11 12  19 o 83.221  2.7371  3753.57    246.712  4216.73    387.132  3436.84    320.142  88.165  4.0541  79.606  3.7130  8.558647       5.497447  
1 1 1 -11 12  20 o 174.351 3.6085  16487.90   681.432  16433.76   1352.38  16506.32   788.900  173.663 7.1899  174.402 4.1764  -0.7391357     8.314823  
1 1 1 -11 12  21 o 160.658 3.5296  14003.75   614.185  12526.32   1398.30  14356.93   683.665  151.029 8.5836  162.640 3.8810  -11.61087      9.420177  
1 1 1 -11 12  22 o 101.444 2.8900  5582.08    317.535  5203.41    559.382  5762.10    385.701  97.614  5.3109  103.031 3.4563  -5.417511      6.336492  
1 1 1 -11 12  23 o 118.306 3.0745  7598.70    393.953  7194.69    767.422  7743.26    459.055  114.514 6.2106  119.376 3.5504  -4.861931      7.153795  
1 1 1 -11 12  24 o 111.166 3.0550  6715.09    367.831  5447.48    705.419  7188.45    431.073  99.306  6.5960  114.962 3.4620  -15.65648      7.449312  
1 1 1 -11 12  25 o 37.371  5.4974  782.745    215.867  1090.47    448.177  689.791    246.322  43.104  9.8190  34.746  6.7886  8.358093       11.93731  
1 1 1 -11 12  26 o 162.299 3.7726  14382.17   663.172  15525.56   1504.54  14106.46   738.815  165.784 8.4065  160.561 4.2484  5.223709       9.419013  
1 1 1 -11 12  27 o 77.447  3.4060  3275.43    285.706  3373.30    577.632  3243.73    328.733  77.297  6.9746  76.860  3.9624  0.4373856      8.021566  
1 1 1 -11 12  28 o 36.987  5.7602  778.595    223.245  513.534    446.950  866.706    257.693  30.498  10.807  38.882  6.3374  -8.383883      12.52849  
1 1 1 -11 12  29 o 46.971  4.3246  1228.58    217.542  1302.73    370.516  1189.58    268.740  47.156  7.5060  45.820  5.5266  1.335144       9.321175  
1 1 1 -11 12  30 o 40.244  5.4356  925.387    230.868  1504.33    466.171  737.249    265.746  49.575  9.0139  35.166  7.2189  14.40915       11.54825  
1 1 1 -11 12  31 o 17.832  7.1970  106.058    214.502  181.544    434.932  81.795     246.576  23.880  10.004  18.223  7.5746  5.656357       12.54787  
1 1 1 -11 12  32 o 25.780  1.5842  363.287    44.019   364.806    44.680   313.073    256.882  25.830  1.6049  23.008  8.1890  2.822502       8.344821  
1 1 1 -11 12  33 o 32.281  10.344  777.967    409.393  0.0000     0.0000   777.967    409.393  ?       ?       32.281  10.344  0.000000       10.34429  
1 1 1 -11 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 13  1  o 128.755 2.9138  8979.12    406.343  8692.45    573.815  9267.48    575.501  126.672 4.1823  130.796 4.0624  -4.123978      5.830512  
1 1 1 -11 13  2  o 263.236 4.7684  37541.34   1359.52  38438.50   1922.21  36643.34   1923.10  266.310 6.6641  260.012 6.8287  6.298187       9.541590  
1 1 1 -11 13  3  o 795.378 15.202  344064.91  13096.33 346584.31  16038.93 339024.81  22685.58 797.451 18.570  786.073 26.645  11.37793       32.47750  
1 1 1 -11 13  4  o 656.336 10.757  233800.70  7647.02  231965.00  8829.36  239311.20  15297.42 653.507 12.474  661.900 21.338  -8.392578      24.71674  
1 1 1 -11 13  5  o 304.839 6.0880  50361.60   2010.09  48825.46   2459.00  53455.33   3489.67  300.094 7.5654  313.851 10.266  -13.75702      12.75226  
1 1 1 -11 13  6  o 484.547 9.2271  127376.00  4842.50  122134.80  5929.08  137876.91  8392.37  474.234 11.543  503.324 15.395  -29.09012      19.24152  
1 1 1 -11 13  7  o 447.448 8.7000  108612.90  4216.32  108612.90  4216.32  0.0000     0.0000   447.448 8.7000  ?       ?       0.000000       8.700035  
1 1 1 -11 13  8  o 206.539 3.9372  23111.05   880.771  22426.79   1017.12  25162.35   1761.07  203.443 4.6159  215.394 7.5487  -11.95067      8.848150  
1 1 1 -11 13  9  o 66.500  2.8510  2395.48    205.345  2323.32    238.875  2599.74    401.919  65.400  3.3838  69.044  5.4181  -3.643318      6.387968  
1 1 1 -11 13  10 o 507.426 8.4590  139779.41  4649.03  136500.00  5368.04  149620.30  9299.08  501.216 9.8883  523.232 16.409  -22.01593      19.15792  
1 1 1 -11 13  11 o 361.435 7.1844  70890.88   2812.48  69953.67   3444.62  72765.14   4871.20  358.846 8.8626  365.458 12.306  -6.612122      15.16549  
1 1 1 -11 13  12 o 220.896 4.1435  26446.24   991.349  27036.47   1145.56  24685.99   1978.30  223.320 4.7361  213.138 8.5696  10.18166       9.791241  
1 1 1 -11 13  13 o 474.881 8.0116  122548.40  4120.74  121137.70  4758.40  126779.30  8240.58  471.856 9.3107  480.613 15.830  -8.757599      18.36547  
1 1 1 -11 13  14 o 395.669 6.7131  85011.47   2876.92  85180.70   4069.45  84842.39   4067.70  395.528 9.4992  394.738 9.5141  0.7895508      13.44449  
1 1 1 -11 13  15 o 350.442 6.4066  66694.73   2431.72  61844.81   6722.24  67424.93   2608.37  333.487 18.686  352.287 6.8360  -18.80069      19.89722  
1 1 1 -11 13  16 o 157.873 3.3882  13509.35   579.364  12663.18   1154.57  13794.12   669.797  152.633 6.9840  159.507 3.8770  -6.873764      7.987927  
1 1 1 -11 13  17 f 124.783 3.0992  8439.15    418.871  7667.48    824.659  8707.46    486.269  118.611 6.4434  126.736 3.5425  -8.124924      7.352966  
1 1 1 -11 13  18 o 291.184 5.1571  46028.63   1626.46  47305.52   3251.48  45602.49   1878.34  294.160 10.205  289.712 5.9860  4.448456       11.83138  
1 1 1 -11 13  19 o 177.196 3.7037  17028.41   710.818  16933.92   1412.75  17060.43   822.514  176.325 7.3975  177.320 4.2827  -0.9948578     8.547736  
1 1 1 -11 13  20 o 42.365  4.2866  984.037    193.985  1349.25    367.524  843.003    228.390  49.269  7.0915  38.992  5.5658  10.27626       9.014894  
1 1 1 -11 13  21 o 100.864 3.0963  5517.41    338.255  5318.65    641.981  5593.79    397.980  98.650  6.0374  101.533 3.6190  -2.883049      7.038996  
1 1 1 -11 13  22 o 143.714 3.2785  11208.67   510.325  10347.15   1003.81  11508.95   592.624  137.613 6.7348  145.577 3.7585  -7.964752      7.712560  
1 1 1 -11 13  23 o 48.064  3.8251  1263.87    197.480  1506.02    360.085  1159.71    236.164  52.042  6.5322  45.884  4.8244  6.158131       8.120596  
1 1 1 -11 13  24 o 67.059  2.5914  2441.32    188.214  2063.59    252.089  2917.11    282.922  61.450  3.8063  73.222  3.5674  -11.77238      5.216778  
1 1 1 -11 13  25 o 102.009 3.2197  5663.24    355.729  5517.00    717.033  5710.99    409.704  99.664  6.6812  102.358 3.6956  -2.693863      7.635118  
1 1 1 -11 13  26 o 80.236  3.4255  3510.33    297.687  3396.04    587.118  3549.88    345.374  77.779  7.0458  80.596  3.9565  -2.816132      8.080650  
1 1 1 -11 13  27 o 51.218  2.2516  1425.88    124.908  1464.66    141.707  1290.76    264.484  51.886  2.5216  48.099  5.1573  3.786674       5.740725  
1 1 1 -11 13  28 o 18.221  7.1738  116.986    207.934  -26.6075   418.287  164.117    239.641  21.590  9.4361  20.138  7.7659  1.452263       12.22082  
1 1 1 -11 13  29 o 43.989  4.8570  1086.74    227.549  843.433    463.245  1164.11    261.237  36.639  10.882  45.352  5.4260  -8.712784      12.15934  
1 1 1 -11 13  30 o 16.981  7.0220  65.959     210.359  656.977    425.146  -125.6399  242.067  32.413  10.556  14.884  6.7867  17.52829       12.54919  
1 1 1 -11 13  31 f 28.429  7.2375  491.684    223.438  485.965    455.233  493.500    256.454  28.838  10.799  28.298  8.0074  0.5397549      13.44417  
1 1 1 -11 13  32 o 42.837  2.5499  1011.95    117.771  924.253    129.471  1432.46    283.504  40.807  2.9492  49.591  5.3636  -8.783951      6.120930  
1 1 1 -11 13  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 14  1  o 460.282 7.7094  114858.60  3843.40  122059.70  5435.58  107658.60  5435.19  474.263 10.582  445.345 11.268  28.91696       15.45773  
1 1 1 -11 14  2  o 329.050 5.7048  58671.13   2033.16  60575.85   2875.19  56766.05   2875.46  334.254 7.9418  323.559 8.2051  10.69452       11.41911  
1 1 1 -11 14  3  o 638.977 10.012  221527.59  6928.90  228484.41  8403.12  206750.91  12246.84 648.673 11.960  615.934 18.358  32.73926       21.91023  
1 1 1 -11 14  4  f 315.438 6.3717  53927.09   2176.89  54582.51   2664.33  52610.90   3775.59  317.289 7.7529  311.310 11.198  5.978912       13.61953  
1 1 1 -11 14  5  o 397.133 7.8483  85516.57   3375.82  86906.77   4132.56  82728.23   5852.64  400.230 9.5332  390.094 13.852  10.13586       16.81546  
1 1 1 -11 14  6  o 370.211 8.9767  74351.86   3599.44  74351.86   3599.44  0.0000     0.0000   370.211 8.9767  ?       ?       0.000000       8.976662  
1 1 1 -11 14  7  o 336.978 6.7494  61561.74   2463.40  61561.74   2463.40  0.0000     0.0000   336.978 6.7494  ?       ?       0.000000       6.749375  
1 1 1 -11 14  8  o 201.882 3.8841  22080.62   849.302  22029.10   980.449  22235.50   1699.86  201.633 4.4895  202.467 7.7516  -0.8339996     8.957787  
1 1 1 -11 14  9  o 245.549 4.4409  32672.01   1181.08  31391.95   1364.13  36504.60   2360.41  240.662 5.2333  259.351 8.4029  -18.68837      9.899319  
1 1 1 -11 14  10 o 319.476 5.5579  55332.89   1923.17  53827.48   2220.82  59846.77   3845.58  315.037 6.5085  331.769 10.702  -16.73166      12.52554  
1 1 1 -11 14  11 o 160.680 3.9232  13990.54   682.758  13548.62   838.604  14859.42   1175.87  158.094 4.8975  165.501 6.5598  -7.406891      8.186336  
1 1 1 -11 14  12 o 58.083  3.2085  1833.47    201.066  1868.63    237.836  1745.40    376.433  58.600  3.7672  56.372  6.2716  2.228405       7.316079  
1 1 1 -11 14  13 o 69.188  2.9928  2593.69    224.273  2268.67    261.911  3487.08    434.225  64.590  3.7601  80.031  5.0351  -15.44104      6.284173  
1 1 1 -11 14  14 o 355.084 6.0804  68434.72   2338.47  70665.64   3308.33  66207.16   3305.84  360.445 8.4742  348.839 8.7496  11.60602       12.18062  
1 1 1 -11 14  15 o 120.609 3.0244  7882.70    395.082  7734.15    807.166  7929.50    453.064  119.179 6.2752  120.955 3.4583  -1.776093      7.165055  
1 1 1 -11 14  16 o 77.108  2.9330  3221.96    244.952  2785.13    483.003  3373.22    284.213  71.328  6.3174  78.889  3.3263  -7.561501      7.139546  
1 1 1 -11 14  17 o 202.669 3.9345  22272.93   863.675  22407.74   1724.81  22227.82   997.776  202.890 7.8489  202.419 4.5510  0.4707184      9.072927  
1 1 1 -11 14  18 o 136.672 3.2063  10125.32   474.627  11291.51   946.510  9733.58    548.583  144.152 6.0622  133.977 3.7804  10.17534       7.144400  
1 1 1 -11 14  19 o 220.122 4.1755  26288.74   995.510  25537.06   1985.72  26541.09   1150.54  216.329 8.4749  221.109 4.8042  -4.780533      9.741870  
1 1 1 -11 14  20 o 153.646 3.3822  12802.36   562.846  13041.55   1112.85  12720.14   652.448  154.765 6.6389  153.113 3.9343  1.651306       7.717069  
1 1 1 -11 14  21 o 244.142 4.6800  32387.50   1237.53  28686.13   3217.82  33029.98   1340.64  226.818 13.155  246.489 5.0216  -19.67140      14.08068  
1 1 1 -11 14  22 o 96.432  3.0539  5045.43    318.968  4672.27    603.220  5190.26    375.803  92.350  6.0645  97.775  3.5487  -5.424995      7.026419  
1 1 1 -11 14  23 o 180.798 3.6792  17768.15   720.472  17137.04   1429.07  17983.22   834.253  176.536 7.4739  181.779 4.2373  -5.242752      8.591515  
1 1 1 -11 14  24 o 17.385  6.8886  91.770     192.875  207.536    271.147  -26.8030   274.415  22.191  8.3299  17.863  7.7262  4.327650       11.36140  
1 1 1 -11 14  25 o 28.540  1.6233  443.112    49.973   444.237    51.043   417.123    245.314  28.574  1.6564  27.061  7.8866  1.513144       8.058636  
1 1 1 -11 14  26 o 42.294  4.8958  994.959    220.125  1377.75    453.482  876.960    251.777  48.633  8.9385  39.378  6.1005  9.254547       10.82187  
1 1 1 -11 14  27 o 78.938  3.3558  3402.33    286.919  3608.52    580.313  3335.63    330.086  80.048  6.7564  77.949  3.9222  2.098785       7.812402  
1 1 1 -11 14  28 o 88.436  3.2904  4276.26    315.178  5318.98    635.978  3936.80    362.873  97.357  6.0613  84.674  3.9567  12.68298       7.238436  
1 1 1 -11 14  29 o 27.094  1.0339  397.996    30.341   -174.5098  424.188  400.940    30.419   19.878  9.0327  27.194  1.0328  -7.315855      9.091546  
1 1 1 -11 14  30 o 85.522  2.9569  4006.80    273.898  3848.80    414.346  4129.42    365.025  83.017  4.6266  86.457  3.8981  -3.440247      6.049814  
1 1 1 -11 14  31 o 48.324  4.7424  1322.09    245.022  1413.64    497.621  1292.80    281.513  46.697  10.130  47.388  5.5926  -0.6907616     11.57136  
1 1 1 -11 14  32 f 37.643  1.2616  770.210    51.436   787.098    73.438   753.948    72.063   37.983  1.7851  37.174  1.7898  0.8091621      2.527854  
1 1 1 -11 14  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 15  1  o 196.926 4.0380  21007.71   861.275  20373.96   1298.06  21506.14   1151.18  193.893 6.1811  199.226 5.3349  -5.332642      8.164966  
1 1 1 -11 15  2  o 161.055 3.3449  14050.06   583.474  14535.11   824.631  13563.77   825.684  163.795 4.6482  158.225 4.8180  5.569977       6.694736  
1 1 1 -11 15  3  o 175.863 3.5821  16753.17   682.310  16869.51   786.366  16398.74   1372.49  176.466 4.1143  173.926 7.2858  2.539749       8.367178  
1 1 1 -11 15  4  f 351.248 7.6363  66890.64   2905.14  62321.27   3214.05  87292.37   6791.37  338.978 8.7541  400.521 15.655  -61.54312      17.93664  
1 1 1 -11 15  5  o 455.149 8.8764  112370.10  4375.85  114001.10  5357.40  109101.20  7584.55  458.263 10.794  447.717 15.641  10.54514       19.00354  
1 1 1 -11 15  6  f 326.693 6.4552  57852.22   2284.14  57852.22   2284.14  0.0000     0.0000   326.693 6.4552  ?       ?       0.000000       6.455234  
1 1 1 -11 15  7  o 451.093 7.5466  110351.40  3687.10  110163.40  4257.01  110915.80  7376.73  450.604 8.7225  451.305 15.091  -0.7010498     17.43060  
1 1 1 -11 15  8  o 147.237 3.2010  11743.56   510.475  11493.45   589.854  12489.75   1018.84  145.654 3.7390  151.784 6.1974  -6.130371      7.237929  
1 1 1 -11 15  9  o 372.260 6.3391  75141.03   2555.92  74333.77   2951.21  77563.51   5112.40  370.174 7.3608  377.529 12.503  -7.355316      14.50859  
1 1 1 -11 15  10 o 231.238 4.2854  28976.48   1073.29  29948.28   1239.90  26071.81   2143.61  235.062 4.8701  219.095 9.0332  15.96655       10.26241  
1 1 1 -11 15  11 o 169.926 4.0536  15647.94   746.061  15727.00   914.165  15490.26   1291.00  170.326 4.9554  168.950 7.0550  1.375717       8.621417  
1 1 1 -11 15  12 o 481.237 8.0725  125816.00  4207.62  123787.70  4858.93  131897.00  8413.24  477.073 9.4034  490.523 15.836  -13.45038      18.41710  
1 1 1 -11 15  13 o 188.416 3.2897  19236.87   671.349  19781.45   870.118  18435.78   1055.32  191.028 4.2054  184.364 5.2849  6.663971       6.753956  
1 1 1 -11 15  14 o 134.396 3.1636  9787.76    460.513  10035.02   647.910  9535.32    654.670  136.044 4.3971  132.608 4.5581  3.436386       6.333285  
1 1 1 -11 15  15 o 229.494 4.4647  28561.75   1109.78  25688.98   2861.83  29070.21   1204.00  216.330 12.264  231.502 4.8018  -15.17258      13.17095  
1 1 1 -11 15  16 o 237.343 4.3878  30551.59   1127.97  29443.28   2254.27  30921.75   1302.79  232.455 8.9536  238.720 5.0387  -6.264908      10.27398  
1 1 1 -11 15  17 o 375.336 6.7339  76584.26   2737.52  75754.03   5079.40  76924.13   3249.90  371.519 12.623  375.877 7.9828  -4.358185      14.93531  
1 1 1 -11 15  18 o 141.366 3.2262  10833.10   493.985  9977.02    979.112  11125.42   572.140  135.451 6.6739  143.240 3.6878  -7.789124      7.625050  
1 1 1 -11 15  19 o 98.520  2.8312  5261.00    302.114  4666.12    525.123  5555.31    369.365  92.537  5.2610  101.220 3.3691  -8.683380      6.247369  
1 1 1 -11 15  20 o 153.985 3.5433  12861.03   590.961  12558.49   1119.32  12977.95   695.848  151.844 6.8059  154.638 4.1546  -2.793610      7.973765  
1 1 1 -11 15  21 o 41.470  4.2796  943.874    189.462  571.190    341.763  1109.22    227.645  31.951  9.3078  44.930  4.7499  -12.97903      10.44974  
1 1 1 -11 15  22 o 94.510  2.8279  4845.14    289.479  4937.40    592.599  4816.23    331.755  94.984  5.7878  94.202  3.2515  0.7817078      6.638637  
1 1 1 -11 15  23 o 251.906 5.0703  34613.05   1383.37  30719.08   3341.35  35418.58   1519.74  232.106 13.347  254.655 5.5099  -22.54875      14.43998  
1 1 1 -11 15  24 o 153.130 3.4231  12755.58   567.734  12461.86   1112.17  12859.09   660.237  150.361 6.8292  153.632 3.9678  -3.271393      7.898144  
1 1 1 -11 15  25 o 109.455 3.2815  6522.34    389.023  7383.81    771.248  6228.36    450.537  115.529 6.1861  106.845 3.8932  8.683624       7.309195  
1 1 1 -11 15  26 o 58.561  3.8842  1882.01    244.972  1579.94    499.212  1977.82    281.150  52.051  9.1910  59.939  4.3606  -7.888290      10.17300  
1 1 1 -11 15  27 o 34.960  1.9677  665.842    74.202   679.748    441.670  665.438    75.272   33.953  10.730  34.946  1.9970  -0.9930420     10.91431  
1 1 1 -11 15  28 o 66.911  2.6611  2439.97    192.855  2460.04    250.518  2410.77    302.161  66.951  3.4666  66.058  4.2457  0.8936615      5.481180  
1 1 1 -11 15  29 o 65.809  2.7026  2364.25    192.631  2596.84    537.731  2330.01    206.324  66.825  7.5625  65.287  2.9178  1.538422       8.105847  
1 1 1 -11 15  30 o 36.470  1.6988  723.065    67.103   737.060    69.566   535.831    254.446  36.817  1.7445  29.729  7.8033  7.088158       7.995948  
1 1 1 -11 15  31 o 40.424  5.4865  943.066    234.013  798.398    478.564  988.528    268.274  34.539  11.196  41.055  6.2287  -6.515469      12.81226  
1 1 1 -11 15  32 o 18.657  1.8574  191.877    37.033   190.844    37.402   243.515    264.391  18.601  1.8823  21.400  8.1808  -2.798262      8.394514  
1 1 1 -11 15  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 16  1  o 410.300 7.0603  91254.96   3137.57  90547.67   4436.75  91962.54   4437.63  408.510 10.027  411.695 9.9519  -3.185211      14.12765  
1 1 1 -11 16  2  o 212.952 4.1683  24566.68   961.411  25285.82   1109.02  22391.70   1928.68  216.036 4.7396  203.191 8.7637  12.84448       9.963242  
1 1 1 -11 16  3  f 795.135 17.734  344486.50  15273.06 313798.81  21594.64 375201.09  21604.10 756.114 26.369  827.698 24.099  -71.58374      35.72195  
1 1 1 -11 16  4  o 756.344 17.657  311738.19  14464.59 311738.19  14464.59 0.0000     0.0000   756.344 17.657  ?       ?       0.000000       17.65699  
1 1 1 -11 16  5  o 215.021 5.7184  25055.50   1331.77  25055.50   1331.77  0.0000     0.0000   215.021 5.7184  ?       ?       0.000000       5.718416  
1 1 1 -11 16  6  o 339.482 6.7646  62478.07   2487.30  62478.07   2487.30  0.0000     0.0000   339.482 6.7646  ?       ?       0.000000       6.764595  
1 1 1 -11 16  7  o 437.727 7.3789  103907.40  3498.38  103446.60  4038.98  105291.30  6999.88  436.654 8.5401  439.735 14.697  -3.081268      16.99812  
1 1 1 -11 16  8  o 759.018 12.431  313365.09  10219.10 307678.09  11799.53 330431.31  20440.66 751.507 14.496  774.607 24.364  -23.10046      28.35025  
1 1 1 -11 16  9  o 388.113 6.5791  81688.54   2765.62  79165.48   3193.10  89264.67   5533.16  381.973 7.7181  404.959 12.615  -22.98660      14.78885  
1 1 1 -11 16  10 o 558.531 9.3090  169480.09  5631.44  165892.70  6502.52  180243.59  11263.41 552.268 10.871  573.449 18.134  -21.18079      21.14314  
1 1 1 -11 16  11 o 242.102 6.3231  31796.68   1658.06  31563.76   2351.12  32027.14   2338.62  241.001 9.0071  242.774 8.8938  -1.773148      12.65811  
1 1 1 -11 16  12 o 230.778 3.8464  28863.44   961.430  27995.60   1242.41  30158.89   1517.94  227.221 5.0483  235.779 5.9440  -8.557861      7.798503  
1 1 1 -11 16  13 f 138.220 3.1537  10351.95   472.127  11045.99   664.912  9646.20    670.500  142.744 4.3007  133.382 4.6412  9.362137       6.327449  
1 1 1 -11 16  14 o 320.792 5.5985  55839.41   1945.22  53310.46   2751.63  58365.89   2750.28  313.105 8.1139  327.674 7.7493  -14.56894      11.21997  
1 1 1 -11 16  15 o 174.201 3.5472  16448.54   669.279  14794.61   1336.73  17001.87   773.171  164.960 7.4816  177.084 4.0311  -12.12444      8.498474  
1 1 1 -11 16  16 o 321.542 5.6155  56127.56   1955.66  55306.15   3910.67  56401.49   2258.33  317.984 11.355  322.196 6.4714  -4.212738      13.06937  
1 1 1 -11 16  17 o 231.053 4.6147  28963.47   1154.84  29316.46   2988.75  28901.52   1252.08  230.960 11.989  230.769 5.0094  0.1906891      12.99341  
1 1 1 -11 16  18 o 209.156 4.0037  23726.77   906.982  20754.25   1800.66  24737.29   1049.89  195.097 8.5214  213.518 4.5398  -18.42076      9.655280  
1 1 1 -11 16  19 o 193.214 3.7874  20248.90   792.599  18914.40   1569.96  20705.38   918.206  186.269 7.7818  195.332 4.3401  -9.063431      8.910219  
1 1 1 -11 16  20 o 209.985 4.0535  23928.96   921.909  25005.76   1836.23  23566.04   1066.00  214.029 7.9211  208.309 4.7248  5.720306       9.223166  
1 1 1 -11 16  21 o 143.505 3.3352  11172.23   518.390  10173.48   1124.20  11441.95   584.208  136.219 7.6507  145.195 3.7149  -8.976990      8.504877  
1 1 1 -11 16  22 o 134.865 3.2049  9871.41    468.143  9432.44    920.006  10024.78   543.811  131.396 6.4645  135.860 3.6956  -4.463547      7.446313  
1 1 1 -11 16  23 o 109.660 3.0605  6529.85    363.504  6313.18    712.437  6606.11    422.659  107.217 6.1609  110.249 3.5395  -3.032043      7.105254  
1 1 1 -11 16  24 o 82.094  2.7507  3660.57    244.580  3458.12    371.550  3815.38    324.901  79.503  4.3312  83.726  3.5828  -4.223167      5.620975  
1 1 1 -11 16  25 o 35.643  5.7332  715.951    213.828  992.154    440.998  631.057    244.490  41.011  10.015  33.134  7.0304  7.876652       12.23611  
1 1 1 -11 16  26 o 160.725 3.6799  14104.75   640.603  14572.28   1455.64  13992.45   713.400  160.440 8.4059  159.920 4.1187  0.5207367      9.360698  
1 1 1 -11 16  27 o 43.365  2.0417  1021.56    95.894   668.003    454.360  1038.04    98.104   33.760  10.906  43.712  2.0722  -9.951504      11.10107  
1 1 1 -11 16  28 o 14.471  3.7624  119.110    59.520   74.773     61.364   823.913    244.661  12.007  4.0147  37.917  6.1695  -25.91059      7.360809  
1 1 1 -11 16  29 o 49.195  4.4687  1349.99    235.508  1250.77    482.853  1380.96    269.773  44.805  10.181  49.546  5.1000  -4.741375      11.38715  
1 1 1 -11 16  30 o ?       ?       -266.4378  28.361   -272.0856  28.578   101.986    230.813  ?       ?       18.315  7.4396  0.000000       7.439556  
1 1 1 -11 16  31 o 21.040  1.9191  243.172    43.251   568.202    449.641  240.137    43.453   30.149  10.823  20.904  1.9414  9.245712       10.99594  
1 1 1 -11 16  32 o 28.737  2.3287  455.972    71.858   428.503    74.428   833.314    275.857  27.812  2.4974  36.522  7.2296  -8.709545      7.648754  
1 1 1 -11 16  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 17  1  o 425.948 7.7718  98369.91   3585.48  99109.02   4695.55  97336.30   5552.85  427.368 10.144  423.349 12.110  4.018921       15.79736  
1 1 1 -11 17  2  f 459.793 8.9001  114666.60  4432.29  114266.50  5426.42  115468.60  7682.61  458.811 10.920  460.690 15.397  -1.878357      18.87590  
1 1 1 -11 17  3  o 542.244 10.279  159566.91  6036.65  155254.30  7391.08  168208.09  10462.20 534.562 12.766  555.649 17.384  -21.08710      21.56770  
1 1 1 -11 17  4  o 217.746 5.6683  25693.75   1336.81  25693.75   1336.81  0.0000     0.0000   217.746 5.6683  ?       ?       0.000000       5.668256  
1 1 1 -11 17  5  o 215.050 4.6945  25056.97   1093.44  25056.97   1093.44  0.0000     0.0000   215.050 4.6945  ?       ?       0.000000       4.694467  
1 1 1 -11 17  6  o 418.909 8.2382  95186.64   3737.85  95186.64   3737.85  0.0000     0.0000   418.909 8.2382  ?       ?       0.000000       8.238193  
1 1 1 -11 17  7  o 362.973 6.2443  71422.05   2454.87  71790.68   2833.94  70313.97   4913.38  363.848 7.1912  359.580 12.616  4.267334       14.52141  
1 1 1 -11 17  8  o 239.648 4.2959  31118.86   1115.06  30876.80   1286.96  31847.78   2233.28  238.692 4.9780  242.247 8.5117  -3.554794      9.860480  
1 1 1 -11 17  9  f 91.131  2.7385  4498.66    270.304  4345.45    311.737  4962.84    542.617  89.562  3.2136  95.541  5.2640  -5.978798      6.167402  
1 1 1 -11 17  10 o 255.967 4.6464  35511.02   1288.15  34258.25   1488.30  39251.67   2571.75  251.372 5.4664  268.823 8.8327  -17.45139      10.38740  
1 1 1 -11 17  11 o 93.778  3.9935  4765.95    405.629  5279.98    584.697  4289.02    563.198  98.522  5.5013  88.731  5.8938  9.790749       8.062329  
1 1 1 -11 17  12 o 225.751 4.2227  27624.56   1032.49  27195.80   1461.16  28052.15   1459.17  223.888 6.0256  227.392 5.9246  -3.504578      8.450341  
1 1 1 -11 17  13 o 73.504  2.8812  2927.33    229.377  2631.09    329.173  3206.96    319.806  69.526  4.3939  76.921  3.8386  -7.395027      5.834454  
1 1 1 -11 17  14 o 182.872 3.5951  18125.66   712.085  18403.88   1007.17  17847.60   1006.91  184.196 5.0484  181.387 5.1252  2.809662       7.194052  
1 1 1 -11 17  15 o 213.234 4.0783  24652.72   941.905  23610.02   1332.10  25695.27   1332.01  208.542 5.8976  217.578 5.6522  -9.036301      8.168818  
1 1 1 -11 17  16 o 38.038  1.3901  783.689    57.273   827.676    60.322   381.286    182.452  39.091  1.4247  25.985  6.4993  13.10577       6.653601  
1 1 1 -11 17  17 o 49.771  3.5068  1349.57    187.835  1528.15    348.570  1276.50    222.980  52.669  6.2311  48.321  4.3056  4.348259       7.573941  
1 1 1 -11 17  18 o 134.477 3.1569  9802.72    459.809  9504.73    904.775  9906.48    533.893  132.228 6.3175  135.165 3.6469  -2.936676      7.294558  
1 1 1 -11 17  19 o 112.518 3.0310  6863.20    369.380  6232.96    719.307  7088.92    430.475  106.870 6.2414  114.335 3.4762  -7.464302      7.144100  
1 1 1 -11 17  20 o 47.290  2.3381  1211.94    119.758  1097.49    138.642  1548.31    237.691  44.902  2.8657  53.249  4.1541  -8.346935      5.046652  
1 1 1 -11 17  21 o 141.881 3.2655  10920.54   501.818  10124.26   980.954  11202.78   584.021  136.240 6.6478  143.663 3.7533  -7.423340      7.634127  
1 1 1 -11 17  22 o 60.672  3.3700  2004.53    220.582  1820.87    424.736  2072.36    258.121  57.271  6.9925  61.638  3.8863  -4.367573      7.999866  
1 1 1 -11 17  23 o 131.128 3.1605  9339.17    448.866  8994.86    892.682  9455.68    519.288  127.935 6.4632  131.881 3.6354  -3.946266      7.415479  
1 1 1 -11 17  24 o 202.559 3.9663  22360.26   870.183  20633.62   1731.89  22943.36   1006.45  192.550 8.3044  204.987 4.5331  -12.43707      9.461061  
1 1 1 -11 17  25 o 133.753 3.3037  9741.78    478.607  10628.11   960.618  9449.12    551.997  138.661 6.3962  131.593 3.8729  7.068512       7.477371  
1 1 1 -11 17  26 o 35.315  5.8127  706.355    214.598  1205.80    439.346  549.859    245.932  45.274  9.2715  30.750  7.4603  14.52486       11.90025  
1 1 1 -11 17  27 o 100.993 3.2243  5566.67    352.692  6109.34    709.665  5388.67    406.439  104.497 6.2996  99.222  3.7820  5.275970       7.347672  
1 1 1 -11 17  28 o 134.560 3.3419  9906.40    487.051  10300.33   976.223  9775.85    561.992  135.175 6.6678  133.430 3.8887  1.744125       7.718921  
1 1 1 -11 17  29 o 39.429  5.3874  883.693    224.054  1076.83    462.563  824.491    256.102  41.418  10.342  37.666  6.5133  3.752552       12.22253  
1 1 1 -11 17  30 o 20.541  7.3618  218.767    207.948  666.782    433.811  85.111     236.945  32.574  10.665  18.144  7.4728  14.42999       13.02275  
1 1 1 -11 17  31 o 35.285  6.2255  735.623    229.227  831.782    468.641  705.381    262.812  35.141  11.046  34.020  7.3474  1.120544       13.26649  
1 1 1 -11 17  32 o 31.193  1.3118  529.174    44.319   538.829    44.946   190.330    266.264  31.475  1.3184  20.248  8.0715  11.22686       8.178511  
1 1 1 -11 17  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 18  1  o 667.964 22.223  244003.80  16077.62 0.0000     0.0000   244003.80  16077.62 ?       ?       667.964 22.223  0.000000       22.22280  
1 1 1 -11 18  2  o 241.335 5.1092  31557.95   1335.51  32020.90   1633.32  30624.08   2319.79  243.069 6.2040  237.606 9.0141  5.462357       10.94272  
1 1 1 -11 18  3  o 285.532 7.1696  44198.20   2217.26  44198.20   2217.26  0.0000     0.0000   285.532 7.1696  ?       ?       0.000000       7.169560  
1 1 1 -11 18  4  o 919.335 30.629  466821.50  30498.68 466821.50  30498.68 0.0000     0.0000   919.335 30.629  ?       ?       0.000000       30.62929  
1 1 1 -11 18  5  o 598.553 11.513  194599.80  7463.97  194599.80  7463.97  0.0000     0.0000   598.553 11.513  ?       ?       0.000000       11.51322  
1 1 1 -11 18  6  o 208.741 3.9866  23606.21   901.317  23679.42   1038.83  23383.28   1812.75  209.051 4.5880  207.628 8.0608  1.423218       9.275048  
1 1 1 -11 18  7  o 451.822 7.3849  110718.50  3613.94  109037.40  4172.20  115769.70  7232.14  448.261 8.5934  461.040 14.483  -12.77945      16.84049  
1 1 1 -11 18  8  o 185.387 3.5843  18619.54   719.696  17576.52   830.000  21779.99   1444.80  180.106 4.2548  200.409 6.6561  -20.30354      7.899809  
1 1 1 -11 18  9  o 148.734 3.1857  11984.29   513.197  12186.54   592.383  11375.85   1027.47  149.976 3.6468  144.829 6.5501  5.147369       7.496816  
1 1 1 -11 18  10 o 281.332 5.0223  42905.12   1530.36  42229.83   1767.32  44929.03   3059.62  279.060 5.8472  287.490 9.8260  -8.429108      11.43412  
1 1 1 -11 18  11 o 115.028 4.2125  7171.33    524.828  6391.84    752.006  7911.52    732.803  108.349 6.4370  120.782 5.6017  -12.43295      8.533079  
1 1 1 -11 18  12 o 301.547 5.2866  49315.19   1726.65  48319.36   2443.61  50308.14   2440.09  298.261 7.5642  304.356 7.4021  -6.095276      10.58340  
1 1 1 -11 18  13 o 85.052  2.9226  3919.40    269.227  3972.16    386.232  3869.54    375.486  85.600  4.1658  84.489  4.1032  1.111664       5.847270  
1 1 1 -11 18  14 o 347.772 6.0429  65654.28   2276.20  66977.36   3221.19  64334.73   3216.89  350.856 8.4765  343.834 8.6381  7.022064       12.10237  
1 1 1 -11 18  15 o 262.821 4.7830  37469.23   1361.55  35627.27   1926.36  39307.96   1924.68  256.046 6.9463  268.991 6.6062  -12.94571      9.586020  
1 1 1 -11 18  16 o 302.864 5.3270  49785.98   1747.43  48204.27   3491.64  50314.52   2018.39  296.969 10.855  304.358 6.1228  -7.388977      12.46311  
1 1 1 -11 18  17 o 458.481 7.7541  114429.00  3850.55  113502.80  7698.85  114738.00  4446.66  453.009 15.691  458.705 8.9501  -5.696930      18.06407  
1 1 1 -11 18  18 o 215.757 4.0992  25250.67   957.940  24696.32   1909.08  25437.22   1107.45  212.844 8.2812  216.495 4.7229  -3.650452      9.533278  
1 1 1 -11 18  19 o 118.511 3.0603  7613.96    392.812  7241.80    779.963  7740.44    454.686  115.215 6.2738  119.471 3.5138  -4.255341      7.190815  
1 1 1 -11 18  20 o 220.357 4.1616  26357.05   993.260  26026.12   1979.58  26468.39   1148.26  218.205 8.3760  220.738 4.8028  -2.533188      9.655278  
1 1 1 -11 18  21 o 103.758 3.0174  5839.02    339.098  5740.21    668.874  5873.21    393.401  102.465 6.0538  104.034 3.4913  -1.569046      6.988431  
1 1 1 -11 18  22 o 202.096 3.9550  22196.03   865.705  22676.21   1730.22  22035.67   999.859  203.226 7.8605  201.243 4.5872  1.982742       9.101119  
1 1 1 -11 18  23 o 166.492 3.5211  15068.11   634.963  15500.63   1267.40  14923.17   733.679  167.950 6.9673  165.581 4.0910  2.368927       8.079547  
1 1 1 -11 18  24 o 59.662  3.4895  1943.84    224.508  2379.85    423.891  1773.85    264.680  65.538  6.0396  56.853  4.3309  8.685219       7.431905  
1 1 1 -11 18  25 o 122.349 3.1895  8148.92    422.665  7576.65    828.288  8350.40    491.469  116.821 6.5729  123.749 3.6668  -6.927597      7.526529  
1 1 1 -11 18  26 o 120.723 3.2606  7945.08    426.342  7887.26    856.964  7964.09    491.481  118.861 6.6837  120.737 3.7584  -1.875664      7.667969  
1 1 1 -11 18  27 o ?       ?       -283.0544  27.003   -289.9627  27.180   240.626    236.648  ?       ?       21.980  7.8560  0.000000       7.855960  
1 1 1 -11 18  28 o 37.875  5.5384  814.299    220.488  283.372    453.375  978.770    252.339  26.563  10.550  41.515  5.7677  -14.95171      12.02384  
1 1 1 -11 18  29 o 72.789  3.6158  2911.85    285.062  3017.34    565.576  2875.93    330.051  72.166  7.3379  72.020  4.2499  0.1457291      8.479783  
1 1 1 -11 18  30 o 51.748  2.5052  1462.51    140.413  1981.98    500.140  1418.06    146.297  57.476  8.2724  50.860  2.6650  6.615791       8.691103  
1 1 1 -11 18  31 o 43.590  5.1012  1087.83    236.286  914.410    484.362  1141.99    270.678  36.613  11.185  44.352  5.7714  -7.739048      12.58582  
1 1 1 -11 18  32 o 57.816  2.7506  1844.94    172.247  1724.17    205.040  2134.54    317.513  55.508  3.4272  60.829  4.8599  -5.320141      5.946761  
1 1 1 -11 18  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 19  1  o 389.099 13.302  82287.25   5605.78  0.0000     0.0000   82287.25   5605.78  ?       ?       389.099 13.302  0.000000       13.30165  
1 1 1 -11 19  2  o 216.644 5.6662  25434.28   1329.57  25434.28   1329.57  0.0000     0.0000   216.644 5.6662  ?       ?       0.000000       5.666248  
1 1 1 -11 19  3  o 317.829 6.4436  54753.03   2218.17  54753.03   2218.17  0.0000     0.0000   317.829 6.4436  ?       ?       0.000000       6.443642  
1 1 1 -11 19  4  o 171.551 4.0439  15943.41   751.386  15943.41   751.386  0.0000     0.0000   171.551 4.0439  ?       ?       0.000000       4.043903  
1 1 1 -11 19  5  o 392.274 6.5911  83418.50   2800.38  81096.05   3232.11  90411.60   5608.51  386.702 7.7168  407.824 12.697  -21.12158      14.85819  
1 1 1 -11 19  6  o 578.490 9.2165  181624.41  5774.77  174753.41  6667.10  202263.00  11554.90 567.205 10.852  608.752 17.525  -41.54675      20.61304  
1 1 1 -11 19  7  o 582.289 9.5911  184095.20  6048.91  183670.09  6984.06  185371.20  12101.04 581.363 11.092  582.047 19.195  -0.6833496     22.16936  
1 1 1 -11 19  8  o 253.829 4.5182  34914.14   1242.16  33881.14   1433.68  38024.21   2487.64  250.016 5.2944  264.666 8.6780  -14.64993      10.16552  
1 1 1 -11 19  9  f 250.723 4.5284  34067.53   1229.73  33700.81   1419.56  35170.20   2461.56  249.338 5.2565  254.482 8.9306  -5.144211      10.36277  
1 1 1 -11 19  10 o 178.154 3.5878  17197.21   692.299  17328.23   981.005  17067.22   977.123  178.785 5.0661  177.433 5.0845  1.352280       7.177517  
1 1 1 -11 19  11 o 621.768 14.668  211469.20  9877.99  197215.80  13969.53 225722.80  13969.64 596.980 21.605  639.550 20.167  -42.57007      29.55463  
1 1 1 -11 19  12 o 194.942 3.7942  20595.92   801.121  20694.17   1134.36  20498.15   1131.56  195.332 5.3617  194.404 5.3741  0.9279938      7.591361  
1 1 1 -11 19  13 o 370.886 6.3555  74670.22   2553.04  74384.47   3611.34  74955.71   3609.76  369.734 9.0180  371.158 8.9794  -1.424469      12.72611  
1 1 1 -11 19  14 o 407.732 6.9723  90320.84   3079.07  88093.59   4354.45  92548.14   4354.49  401.991 10.001  412.095 9.7559  -10.10397      13.97141  
1 1 1 -11 19  15 o 201.627 3.8671  22040.06   844.519  22346.40   1196.06  21735.47   1192.61  202.915 5.4421  200.117 5.5023  2.797791       7.739001  
1 1 1 -11 19  16 o 184.545 3.9281  18466.19   785.150  19545.76   1482.53  18045.36   925.615  189.586 7.2198  182.383 4.6857  7.203598       8.607083  
1 1 1 -11 19  17 o 65.929  3.0349  2355.82    216.719  2038.98    416.647  2473.33    253.746  60.918  6.4109  67.455  3.4850  -6.536972      7.296934  
1 1 1 -11 19  18 o 118.149 3.0122  7566.40    385.470  7261.94    761.119  7671.44    447.042  115.428 6.1097  118.949 3.4699  -3.521111      7.026278  
1 1 1 -11 19  19 o 266.465 4.8040  38552.75   1386.48  35960.60   2764.24  39424.10   1602.66  256.251 9.9596  269.351 5.4935  -13.10056      11.37418  
1 1 1 -11 19  20 o 88.307  3.0219  4228.38    289.032  4617.89    567.232  4091.79    335.911  91.962  5.7232  86.848  3.5710  5.114082       6.745924  
1 1 1 -11 19  21 o 115.784 3.0205  7271.36    378.794  7828.53    763.305  7089.31    436.310  119.877 5.8788  114.293 3.5246  5.583961       6.854444  
1 1 1 -11 19  22 o 19.761  6.6616  199.427    168.962  544.921    327.882  74.509     197.155  31.137  9.1301  17.185  6.9125  13.95145       11.45170  
1 1 1 -11 19  23 o 59.356  3.3380  1920.58    213.725  1881.98    424.618  1933.68    247.341  58.136  6.8767  59.493  3.8593  -1.357231      7.885667  
1 1 1 -11 19  24 o 44.605  1.9071  1079.12    92.138   1136.97    101.053  793.990    224.352  45.780  2.0380  37.633  5.6810  8.147007       6.035495  
1 1 1 -11 19  25 o 110.319 3.1887  6625.68    381.011  7165.76    770.043  6450.60    438.442  113.709 6.2768  108.748 3.7224  4.960716       7.297522  
1 1 1 -11 19  26 o 63.566  3.6961  2214.47    253.369  2395.97    514.905  2156.48    291.043  65.000  7.4482  62.589  4.3197  2.411091       8.610185  
1 1 1 -11 19  27 o 73.725  3.5198  2971.53    281.060  3393.12    558.153  2828.31    325.314  77.565  6.7099  71.663  4.2097  5.902710       7.921114  
1 1 1 -11 19  28 o 79.313  2.8608  3432.97    245.751  3663.56    593.529  3385.26    269.981  80.211  6.8990  78.692  3.1676  1.519051       7.591450  
1 1 1 -11 19  29 o 51.730  2.1423  1456.86    120.031  1554.17    133.151  1034.79    277.299  53.409  2.3018  42.390  6.2251  11.01806       6.636977  
1 1 1 -11 19  30 o 28.721  6.9818  493.680    215.074  823.295    447.971  394.944    245.179  35.743  10.720  25.759  7.9722  9.983318       13.35956  
1 1 1 -11 19  31 o 30.753  6.8031  572.289    220.596  979.826    462.229  452.091    251.028  38.061  10.743  27.022  8.0068  11.03885       13.39864  
1 1 1 -11 19  32 o 47.704  1.9138  1244.10    98.885   1153.32    145.002  1323.02    135.202  45.546  2.9553  48.950  2.5590  -3.403328      3.909270  
1 1 1 -11 19  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 20  1  o 455.161 15.372  112756.00  7578.26  112756.00  7578.26  0.0000     0.0000   455.161 15.372  ?       ?       0.000000       15.37213  
1 1 1 -11 20  2  o 407.225 13.864  90175.18   6114.84  90175.18   6114.84  0.0000     0.0000   407.225 13.864  ?       ?       0.000000       13.86374  
1 1 1 -11 20  3  o 499.275 9.7705  135277.59  5283.54  135277.59  5283.54  0.0000     0.0000   499.275 9.7705  ?       ?       0.000000       9.770479  
1 1 1 -11 20  4  o 373.255 7.3471  75542.07   2970.23  75542.07   2970.23  0.0000     0.0000   373.255 7.3471  ?       ?       0.000000       7.347058  
1 1 1 -11 20  5  o 170.927 3.3779  15826.50   625.360  15521.78   719.387  16768.97   1265.16  169.266 3.9240  175.873 6.6417  -6.607224      7.714223  
1 1 1 -11 20  6  o 437.745 7.0956  103911.90  3364.18  100416.70  3883.49  114422.00  6734.20  430.211 8.3343  458.536 13.559  -28.32516      15.91604  
1 1 1 -11 20  7  o 225.271 4.0407  27495.30   985.909  26927.16   1136.99  29217.16   1979.37  222.913 4.7092  232.063 7.8750  -9.150406      9.175666  
1 1 1 -11 20  8  o 68.379  2.4120  2532.59    178.632  2720.31    237.642  2288.73    270.852  70.863  3.0962  64.878  3.8721  5.985138       4.957804  
1 1 1 -11 20  9  o 291.093 4.5684  45923.52   1440.34  43623.40   1859.56  49372.88   2277.21  283.628 6.0533  301.674 6.9694  -18.04672      9.231164  
1 1 1 -11 20  10 o 276.443 4.9138  41427.61   1471.27  40423.72   2081.31  42430.30   2080.07  272.927 7.0408  279.633 6.8678  -6.705902      9.835611  
1 1 1 -11 20  11 o 119.721 4.1200  7768.43    534.235  8518.99    789.526  7134.55    725.565  125.320 5.8167  114.535 5.8685  10.78549       8.262779  
1 1 1 -11 20  12 o 334.026 5.7995  60532.23   2098.18  61573.64   2967.67  59491.37   2966.89  336.592 8.1403  330.831 8.2799  5.760651       11.61126  
1 1 1 -11 20  13 o 322.592 5.5960  56461.93   1955.25  54761.90   2765.44  58161.23   2764.85  317.383 8.0447  327.123 7.8035  -9.739532      11.20769  
1 1 1 -11 20  14 o 43.246  3.5312  1020.40    163.956  1194.31    234.495  854.060    229.330  46.691  4.7008  39.287  5.5435  7.404655       7.268322  
1 1 1 -11 20  15 o 120.930 2.9801  7924.95    390.328  8260.92    555.779  7597.94    548.312  123.429 4.1573  118.368 4.2768  5.060806       5.964465  
1 1 1 -11 20  16 o 433.696 8.4443  102446.30  3966.60  93100.58   6867.92  107124.20  4858.93  410.704 15.439  442.933 10.128  -32.22916      18.46488  
1 1 1 -11 20  17 o 107.984 2.9493  6319.64    344.941  6299.31    680.161  6326.68    400.228  107.531 5.8621  108.030 3.4205  -0.4993896     6.787040  
1 1 1 -11 20  18 o 86.930  2.7051  4095.41    254.700  4393.29    541.406  4010.75    288.634  89.756  5.5971  86.017  3.0981  3.738846       6.397273  
1 1 1 -11 20  19 o 124.174 3.0942  8359.50    416.157  8302.15    825.612  8379.04    481.848  123.546 6.1699  124.296 3.5792  -0.7500610     7.132860  
1 1 1 -11 20  20 o 323.187 5.6661  56817.42   1983.38  56424.26   3965.62  56948.57   2290.42  319.885 11.446  323.321 6.5405  -3.436157      13.18277  
1 1 1 -11 20  21 o 164.658 3.5948  14716.22   641.109  14918.53   1229.18  14640.62   751.413  165.288 6.8660  164.163 4.2260  1.125198       8.062317  
1 1 1 -11 20  22 o 70.896  3.1424  2728.43    241.297  3040.95    481.596  2623.67    278.819  74.374  6.0304  69.390  3.7234  4.984131       7.087258  
1 1 1 -11 20  23 o 153.636 3.5378  12834.35   588.709  13080.98   1326.03  12773.80   657.009  153.647 7.9958  153.195 3.9596  0.4517517      8.922499  
1 1 1 -11 20  24 o 24.006  6.4293  328.530    170.512  920.961    321.473  96.612     201.137  40.108  7.6799  17.744  7.0336  22.36342       10.41404  
1 1 1 -11 20  25 o 53.772  4.0329  1587.87    233.168  1742.50    478.846  1539.81    266.955  55.201  8.2631  52.812  4.7166  2.388775       9.514482  
1 1 1 -11 20  26 o 120.307 3.2198  7891.06    419.552  7392.02    806.506  8076.21    491.256  115.099 6.4960  121.572 3.7308  -6.472725      7.491119  
1 1 1 -11 20  27 o 71.987  3.4768  2832.79    271.086  3364.52    555.794  2666.81    310.528  77.217  6.7123  69.593  4.1383  7.623848       7.885523  
1 1 1 -11 20  28 o 16.368  6.8055  47.114     199.135  232.642    412.437  -9.2837    227.396  25.020  10.021  16.277  7.0366  8.742973       12.24480  
1 1 1 -11 20  29 o 18.996  1.9260  198.260    39.079   194.883    39.585   328.012    245.377  18.826  1.9705  24.085  8.0278  -5.259045      8.266128  
1 1 1 -11 20  30 o 28.331  7.0380  481.198    214.999  1439.81    449.405  196.674    244.835  48.456  8.8904  20.692  7.8814  27.76458       11.88090  
1 1 1 -11 20  31 o 30.200  6.8725  554.269    219.740  695.315    459.910  512.546    250.139  32.283  10.990  28.693  7.8303  3.589567       13.49427  
1 1 1 -11 20  32 o 35.041  1.7765  672.211    67.205   679.801    69.284   551.392    276.424  35.229  1.8220  28.807  8.3650  6.422596       8.561076  
1 1 1 -11 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 21  1  o 230.748 8.5775  28881.42   2143.72  28881.42   2143.72  0.0000     0.0000   230.748 8.5775  ?       ?       0.000000       8.577502  
1 1 1 -11 21  2  o 122.061 6.3180  8097.31    832.409  8097.31    832.409  0.0000     0.0000   122.061 6.3180  ?       ?       0.000000       6.317991  
1 1 1 -11 21  3  o 577.862 19.311  182378.00  12086.35 182378.00  12086.35 0.0000     0.0000   577.862 19.311  ?       ?       0.000000       19.31081  
1 1 1 -11 21  4  o 631.383 10.548  216461.91  7213.05  218344.20  8328.09  210810.50  14430.34 633.851 12.131  620.502 21.472  13.34912       24.66135  
1 1 1 -11 21  5  o 252.229 4.8637  34474.05   1328.71  34378.43   1435.04  35048.52   3517.34  251.866 5.2605  253.542 12.850  -1.675659      13.88544  
1 1 1 -11 21  6  o 873.487 14.317  415541.69  13544.87 410147.00  15639.57 431731.59  27093.39 866.933 16.656  883.098 28.326  -16.16455      32.85998  
1 1 1 -11 21  7  o 251.465 4.4512  34265.46   1212.34  32840.23   1398.32  38579.73   2432.86  246.151 5.2449  266.620 8.4247  -20.46892      9.923923  
1 1 1 -11 21  8  o 258.761 4.5798  36286.42   1283.56  35120.64   1480.90  39807.24   2573.58  254.537 5.3716  270.770 8.7754  -16.23279      10.28893  
1 1 1 -11 21  9  o 219.500 4.1454  26109.25   985.531  28221.62   1315.31  23405.29   1488.14  228.159 5.3226  207.719 6.6145  20.43980       8.490076  
1 1 1 -11 21  10 f 149.443 3.3314  12100.44   539.221  12591.85   742.099  11550.79   784.841  152.417 4.4953  145.967 4.9643  6.450684       6.697151  
1 1 1 -11 21  11 o 261.402 6.7066  37087.07   1898.82  36085.67   2687.52  38085.23   2683.15  257.544 9.6345  264.617 9.3618  -7.072998      13.43378  
1 1 1 -11 21  12 o 232.835 4.3014  29388.57   1084.76  28383.20   1534.83  30391.97   1533.32  228.693 6.1964  236.665 5.9818  -7.971268      8.612569  
1 1 1 -11 21  13 o 51.008  3.1325  1415.19    172.224  1781.65    247.463  1070.97    239.839  57.189  4.0207  44.141  5.1111  13.04760       6.503039  
1 1 1 -11 21  14 f 206.042 3.9739  23015.47   886.835  21239.84   1255.02  24786.35   1253.33  197.810 5.8577  213.724 5.4143  -15.91371      7.976715  
1 1 1 -11 21  15 o 167.213 3.4361  15155.19   622.315  15579.31   886.359  14742.86   873.944  169.464 4.8291  164.848 4.8947  4.615860       6.875932  
1 1 1 -11 21  16 o 195.661 3.8088  20756.79   807.159  20278.29   1143.75  21231.54   1139.26  193.272 5.4638  197.775 5.3184  -4.503098      7.624835  
1 1 1 -11 21  17 o 166.975 3.4527  15114.90   624.430  13464.36   1241.80  15673.47   722.404  157.308 7.2884  170.007 3.9232  -12.69861      8.277216  
1 1 1 -11 21  18 o 334.418 5.8313  60773.79   2112.16  65427.76   4224.17  59222.32   2438.94  345.355 11.293  329.911 6.8255  15.44333       13.19535  
1 1 1 -11 21  19 f 66.647  2.3721  2407.05    171.234  2858.86    229.954  1844.71    256.544  72.621  2.9235  58.164  4.0985  14.45719       5.034371  
1 1 1 -11 21  20 o 141.210 3.2577  10814.90   498.247  12179.10   994.950  10358.28   575.625  149.564 6.1419  138.156 3.8468  11.40881       7.247135  
1 1 1 -11 21  21 o 171.379 3.5753  15942.78   663.651  16391.71   1325.51  15792.60   766.664  173.191 7.0662  170.501 4.1515  2.690292       8.195542  
1 1 1 -11 21  22 o 97.362  2.8291  5143.66    298.339  4657.34    522.958  5378.29    363.248  92.276  5.2542  99.516  3.3701  -7.240707      6.242141  
1 1 1 -11 21  23 o 120.749 3.0945  7921.11    404.712  8123.68    806.780  7853.00    467.833  121.566 6.1473  120.162 3.5946  1.403976       7.121178  
1 1 1 -11 21  24 o 111.355 3.0717  6742.81    370.479  6336.01    715.322  6891.94    433.091  107.103 6.1928  112.501 3.5543  -5.398544      7.140314  
1 1 1 -11 21  25 o 114.629 3.1388  7153.21    389.695  6325.10    726.865  7487.26    461.651  106.770 6.3135  117.170 3.6377  -10.39988      7.286470  
1 1 1 -11 21  26 o 69.840  3.5872  2670.88    270.437  2343.27    537.650  2781.84    312.902  64.038  7.9205  71.168  4.0763  -7.129524      8.907891  
1 1 1 -11 21  27 o 66.741  3.5876  2443.64    258.389  2473.14    530.206  2434.45    295.906  65.724  7.5876  66.477  4.1301  -0.7531204     8.638820  
1 1 1 -11 21  28 o 70.387  2.6973  2702.02    205.631  2778.80    276.589  2607.13    307.469  71.096  3.6036  68.691  4.1522  2.405281       5.497908  
1 1 1 -11 21  29 o 51.587  4.4103  1484.37    244.049  1431.47    486.504  1502.16    282.112  48.170  9.6609  51.644  5.1106  -3.473694      10.92939  
1 1 1 -11 21  30 o 54.732  4.1933  1670.81    246.691  1818.25    506.911  1625.05    282.387  54.554  8.8848  53.686  4.9108  0.8677063      10.15160  
1 1 1 -11 21  31 o 24.635  1.3288  330.693    35.325   380.270    442.581  330.375    35.438   26.582  10.466  24.623  1.3338  1.959301       10.55069  
1 1 1 -11 21  32 o 37.244  6.1763  843.208    240.415  629.477    479.410  915.016    277.882  29.492  11.075  38.294  6.9560  -8.802082      13.07833  
1 1 1 -11 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 22  1  o 650.300 15.955  230361.41  11237.76 230361.41  11237.76 0.0000     0.0000   650.300 15.955  ?       ?       0.000000       15.95495  
1 1 1 -11 22  2  o 678.824 18.583  251552.09  13662.67 258433.91  16228.74 234804.20  25317.08 687.014 21.810  647.731 36.232  39.28308       42.28976  
1 1 1 -11 22  3  o 91.809  3.5951  4566.09    357.491  4431.15    466.237  4758.62    556.894  90.305  4.7838  93.542  5.5211  -3.237091      7.305311  
1 1 1 -11 22  4  o 275.826 6.9179  41250.79   2066.72  38990.88   2919.34  43521.40   2926.24  267.985 10.058  283.163 9.5412  -15.17731      13.86344  
1 1 1 -11 22  5  o 226.994 4.8883  27922.11   1201.82  27733.34   1470.52  28301.83   2085.60  226.189 6.0025  228.388 8.4311  -2.199326      10.34958  
1 1 1 -11 22  6  o 356.587 6.1196  68935.05   2363.51  67086.61   2728.06  74498.18   4732.71  351.704 7.1615  370.154 11.805  -18.44983      13.80727  
1 1 1 -11 22  7  o 162.885 3.4061  14373.49   600.905  13901.64   692.856  15805.71   1207.10  160.178 3.9936  170.724 6.5279  -10.54602      7.652666  
1 1 1 -11 22  8  o 517.200 7.5050  145147.50  4204.16  135696.00  5426.75  159335.20  6648.82  499.693 10.027  541.206 11.343  -41.51376      15.13911  
1 1 1 -11 22  9  o 197.409 3.6561  21115.64   781.718  21346.33   1105.84  20885.22   1105.20  198.433 5.1453  196.276 5.1988  2.157089       7.314435  
1 1 1 -11 22  10 o 348.266 5.8801  65786.56   2218.02  67307.66   3137.33  64266.57   3136.18  352.008 8.2288  343.939 8.4188  8.068451       11.77239  
1 1 1 -11 22  11 o 165.584 4.8953  14866.33   877.938  14212.34   1245.95  15511.26   1237.28  161.792 7.1101  169.044 6.7577  -7.252655      9.809132  
1 1 1 -11 22  12 o 231.394 4.2342  29025.46   1061.20  29950.22   1504.12  28108.91   1497.42  234.939 5.9109  227.590 6.0746  7.348938       8.475863  
1 1 1 -11 22  13 o 243.116 4.4352  32047.88   1167.87  33359.74   1652.93  30740.20   1650.30  247.901 6.1561  237.946 6.4035  9.955063       8.882668  
1 1 1 -11 22  14 o 179.258 3.5828  17417.23   695.613  16819.84   985.060  18011.43   982.436  176.073 5.1654  182.215 4.9780  -6.142075      7.173626  
1 1 1 -11 22  15 o 169.164 3.5187  15511.75   644.697  14879.26   917.266  16129.21   906.312  165.593 5.1143  172.425 4.8530  -6.832108      7.050317  
1 1 1 -11 22  16 o 64.646  3.0063  2264.91    210.499  2354.97    303.712  2181.65    292.015  65.755  4.2879  63.278  4.2860  2.476578       6.062685  
1 1 1 -11 22  17 o 219.922 4.1439  26233.22   987.083  24571.81   1973.56  26787.47   1139.90  212.304 8.5827  222.180 4.7369  -9.876663      9.803062  
1 1 1 -11 22  18 o 351.539 6.0866  67181.18   2317.50  68028.25   4635.08  66898.84   2676.01  351.745 12.166  350.572 7.0476  1.173096       14.06012  
1 1 1 -11 22  19 o 211.959 4.0508  24377.40   929.959  22480.71   1856.20  25013.02   1074.54  202.889 8.4469  214.642 4.6221  -11.75301      9.628782  
1 1 1 -11 22  20 o 261.116 5.0415  37060.53   1425.83  35795.29   3775.56  37270.99   1539.85  253.254 13.817  261.779 5.4309  -8.525391      14.84561  
1 1 1 -11 22  21 o 183.706 3.7201  18323.86   740.195  19493.43   1479.17  17933.15   854.938  188.798 7.2336  181.651 4.3454  7.146530       8.438395  
1 1 1 -11 22  22 o 38.651  4.3590  823.127    179.294  879.180    355.842  804.055    207.567  39.185  8.6187  38.062  5.1687  1.123089       10.04976  
1 1 1 -11 22  23 o 94.317  3.0102  4832.45    307.503  5183.14    603.861  4709.67    357.299  97.112  5.7670  93.055  3.5451  4.056770       6.769461  
1 1 1 -11 22  24 o 120.797 3.1180  7936.47    407.948  7058.60    801.780  8243.12    473.871  112.900 6.5853  123.029 3.5562  -10.12827      7.484200  
1 1 1 -11 22  25 o 86.611  3.2295  4085.36    302.959  4090.91    616.971  4083.60    347.774  85.637  6.7053  86.515  3.7114  -0.8782654     7.663899  
1 1 1 -11 22  26 o 64.890  3.5994  2307.09    251.983  2494.83    517.286  2248.68    288.531  66.327  7.3227  63.929  4.1902  2.398479       8.436812  
1 1 1 -11 22  27 o 21.961  1.6381  263.199    38.684   262.470    39.251   287.886    228.409  21.928  1.6651  23.061  7.7455  -1.132948      7.922438  
1 1 1 -11 22  28 o 66.067  3.6455  2401.93    259.855  2880.75    535.050  2254.13    297.267  70.903  7.0612  63.787  4.3284  7.115719       8.282213  
1 1 1 -11 22  29 o 17.013  6.9267  79.521     200.665  -75.2808   423.186  124.423    227.916  20.823  9.2776  18.781  7.4736  2.042215       11.91338  
1 1 1 -11 22  30 o 60.832  3.9015  2055.01    255.705  2240.64    526.891  1997.82    292.454  61.123  8.1628  59.708  4.5567  1.414539       9.348485  
1 1 1 -11 22  31 o ?       ?       -209.0927  29.179   -215.4884  29.407   199.326    234.995  ?       ?       20.221  7.7167  0.000000       7.716724  
1 1 1 -11 22  32 o 41.220  6.8253  1053.52    294.052  1416.34    512.172  875.129    359.141  43.918  10.834  35.620  9.2328  8.298462       14.23466  
1 1 1 -11 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 23  1  o 241.607 4.3939  31627.28   1149.82  31207.15   1325.51  32904.53   2311.15  239.977 5.0997  246.271 8.6645  -6.293655      10.05388  
1 1 1 -11 23  2  o 581.934 9.4797  183798.09  5975.00  178988.41  6898.07  198248.50  11956.59 574.037 11.095  602.573 18.320  -28.53674      21.41772  
1 1 1 -11 23  3  o 45.053  4.6312  1111.41    222.769  1098.25    306.522  1126.15    324.316  44.535  6.5503  45.063  6.8614  -0.5278778     9.486093  
1 1 1 -11 23  4  o 725.606 16.774  287241.50  13182.41 261684.80  18640.77 312809.00  18644.72 689.502 24.961  754.859 22.804  -65.35748      33.80951  
1 1 1 -11 23  5  o 300.898 7.5093  49109.27   2447.30  50027.04   3459.60  48190.00   3462.43  303.467 10.526  297.825 10.734  5.642242       15.03327  
1 1 1 -11 23  6  o 461.613 16.891  116386.10  8445.19  114553.90  11943.30 118218.40  11943.32 455.287 24.308  462.679 23.915  -7.391663      34.09936  
1 1 1 -11 23  7  o 374.419 6.3873  76021.58   2590.29  76576.06   2990.46  74355.70   5183.42  375.701 7.3490  369.528 12.951  6.173462       14.89069  
1 1 1 -11 23  8  o 659.004 10.925  236211.50  7798.09  239836.91  11028.02 232585.80  11028.32 662.641 15.366  652.459 15.606  10.18152       21.90073  
1 1 1 -11 23  9  o 520.724 8.4406  147273.59  4760.47  135105.41  6731.44  159448.20  6733.21  497.886 12.483  541.147 11.488  -43.26053      16.96428  
1 1 1 -11 23  10 o 105.786 2.7716  6062.54    317.568  5857.76    452.241  6261.75    446.042  103.964 4.0162  107.493 3.8311  -3.528915      5.550449  
1 1 1 -11 23  11 f 122.935 4.2311  8192.16    563.379  8669.85    804.442  7732.33    789.252  126.414 5.8753  119.217 6.1331  7.196930       8.493146  
1 1 1 -11 23  12 o 365.574 6.1972  72533.88   2453.82  74245.65   3471.90  70825.39   3468.57  369.475 8.6758  360.829 8.8752  8.646454       12.41128  
1 1 1 -11 23  13 o 79.444  2.8042  3419.61    241.290  3616.46    347.225  3235.78    335.545  81.679  3.9249  77.153  4.0294  4.525528       5.625026  
1 1 1 -11 23  14 f 277.329 4.9614  41723.46   1490.29  39798.55   2108.15  43646.30   2107.02  270.600 7.1929  283.425 6.8637  -12.82489      9.942252  
1 1 1 -11 23  15 o 189.840 3.7797  19538.51   777.175  19003.41   1101.26  20069.42   1096.94  187.114 5.4339  192.303 5.2665  -5.189667      7.567294  
1 1 1 -11 23  16 o 212.667 4.0137  24525.89   924.513  24505.04   1310.45  24546.56   1304.49  212.433 5.6954  212.616 5.6647  -0.1829834     8.032848  
1 1 1 -11 23  17 o 146.893 3.4296  11698.05   545.649  12960.70   1226.16  11386.27   609.306  154.320 7.3359  144.900 3.8824  9.419495       8.299896  
1 1 1 -11 23  18 o 36.551  4.4990  735.949    174.348  1082.92    353.916  624.766    200.344  43.946  7.7171  33.441  5.7380  10.50527       9.616551  
1 1 1 -11 23  19 o 50.354  3.6290  1382.43    196.597  1302.45    397.236  1408.37    226.248  48.250  7.8727  50.775  4.1503  -2.524734      8.899678  
1 1 1 -11 23  20 o 102.682 3.0014  5717.62    333.805  6915.04    670.052  5322.34    384.979  112.746 5.4870  99.040  3.5888  13.70533       6.556478  
1 1 1 -11 23  21 o 110.814 3.0314  6662.00    363.837  6543.77    726.376  6701.60    420.374  109.352 6.1579  111.110 3.4931  -1.758278      7.079690  
1 1 1 -11 23  22 o 172.680 3.7519  16208.13   701.722  15816.89   1653.81  16294.03   774.939  168.850 9.0763  173.069 4.1341  -4.219025      9.973475  
1 1 1 -11 23  23 o 143.398 3.2624  11177.84   506.696  11297.47   1005.75  11137.15   586.576  143.375 6.4766  143.044 3.7860  0.3310394      7.502020  
1 1 1 -11 23  24 o 122.006 3.1305  8097.26    413.686  8046.12    814.705  8115.03    480.199  120.668 6.2550  122.046 3.6327  -1.378075      7.233378  
1 1 1 -11 23  25 o 86.982  3.2218  4120.71    303.526  4332.55    617.479  4053.22    348.542  88.198  6.5099  86.183  3.7339  2.015335       7.504720  
1 1 1 -11 23  26 o 13.587  2.6724  103.935    37.926   95.913     38.477   378.132    224.954  13.025  2.8099  25.676  7.5721  -12.65109      8.076612  
1 1 1 -11 23  27 f 68.341  3.5500  2561.93    261.871  2295.09    535.568  2645.77    300.205  63.045  8.0252  69.332  4.0149  -6.287041      8.973467  
1 1 1 -11 23  28 o 82.839  3.3412  3758.23    299.786  3403.41    613.335  3869.61    343.630  76.842  7.4635  83.927  3.7803  -7.084442      8.366214  
1 1 1 -11 23  29 o 45.781  4.6570  1176.07    227.706  1431.64    476.169  1100.29    259.273  48.229  9.4534  43.939  5.5733  4.290104       10.97399  
1 1 1 -11 23  30 o 40.633  5.2320  942.693    224.909  860.624    467.732  967.376    256.511  36.246  10.973  40.864  5.9718  -4.617817      12.49255  
1 1 1 -11 23  31 o 58.358  2.7444  1872.11    173.467  1645.37    214.387  2301.98    295.195  54.282  3.6680  63.905  4.2897  -9.623531      5.644121  
1 1 1 -11 23  32 o 23.664  8.4898  351.661    276.619  91.805     495.367  469.405    333.450  22.361  9.9948  26.437  9.3385  -4.075722      13.67853  
1 1 1 -11 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 24  1  o 402.347 6.9003  87774.57   3007.06  87615.09   3470.85  88254.59   6021.42  401.900 7.9735  402.714 13.805  -0.8140869     15.94211  
1 1 1 -11 24  2  o 603.918 9.8746  198007.91  6459.04  193878.20  7457.01  210413.91  12924.61 597.316 11.526  620.386 19.235  -23.07007      22.42385  
1 1 1 -11 24  3  o 261.930 4.6608  37175.80   1322.25  36639.70   1525.21  38797.65   2652.85  260.009 5.4159  267.363 9.1610  -7.354523      10.64216  
1 1 1 -11 24  4  o 214.047 6.2181  24838.16   1441.58  21964.34   2412.59  26433.96   1797.81  200.741 11.140  220.761 7.5188  -20.02022      13.43999  
1 1 1 -11 24  5  o 204.453 5.5464  22657.65   1228.22  21974.92   1734.36  23344.50   1739.59  201.253 7.9566  207.440 7.7425  -6.186905      11.10197  
1 1 1 -11 24  6  o 407.904 9.7935  90377.34   4326.81  88830.70   6116.73  91926.31   6121.32  403.771 13.987  410.786 13.758  -7.015686      19.61921  
1 1 1 -11 24  7  o 122.030 4.2956  8069.49    567.760  8821.44    797.942  7298.43    808.021  127.556 5.7756  115.827 6.4666  11.72924       8.670373  
1 1 1 -11 24  8  o 204.871 4.5270  22747.75   1004.52  22446.65   1228.45  23355.35   1745.06  203.469 5.5743  207.432 7.7672  -3.962387      9.560464  
1 1 1 -11 24  9  o 484.068 8.0697  127250.80  4230.89  127437.60  5983.42  127063.90  5983.35  483.750 11.420  483.037 11.437  0.7137146      16.16185  
1 1 1 -11 24  10 o 222.731 4.1286  26887.98   995.998  27561.59   1410.56  26218.19   1406.56  225.415 5.7775  219.845 5.9070  5.570206       8.262708  
1 1 1 -11 24  11 o 223.980 5.9335  27218.73   1439.42  27945.90   2038.34  26495.37   2032.97  226.750 8.2997  220.767 8.5021  5.983002       11.88152  
1 1 1 -11 24  12 o 163.386 3.3905  14466.37   599.997  13522.21   853.187  15390.16   843.936  157.903 4.9887  168.473 4.6250  -10.57068      6.802721  
1 1 1 -11 24  13 o 306.701 5.3126  51035.20   1764.79  50081.19   2498.06  51985.75   2493.51  303.530 7.5986  309.271 7.4439  -5.741028      10.63722  
1 1 1 -11 24  14 o 146.363 3.3067  11610.23   524.201  11503.56   748.778  11712.76   734.104  145.629 4.7472  146.953 4.6122  -1.324814      6.618770  
1 1 1 -11 24  15 o 192.159 3.8016  20019.21   791.229  19556.81   1121.63  20477.23   1116.32  189.815 5.4557  194.242 5.3061  -4.427475      7.610476  
1 1 1 -11 24  16 o 44.916  3.8523  1101.93    185.596  971.252    267.165  1223.81    258.019  41.853  6.0708  47.209  5.1286  -5.355843      7.947151  
1 1 1 -11 24  17 o 216.955 4.7672  25544.65   1120.22  25566.82   1937.98  25533.53   1372.79  216.590 8.2612  216.792 5.8464  -0.2020264     10.12066  
1 1 1 -11 24  18 o 111.032 2.9459  6682.54    354.273  6449.14    681.036  6769.13    414.818  108.776 5.8015  111.730 3.4278  -2.954506      6.738478  
1 1 1 -11 24  19 o 135.608 3.1807  9971.53    467.180  10229.72   936.262  9885.93    539.088  137.098 6.3051  134.995 3.6870  2.103088       7.304008  
1 1 1 -11 24  20 o 228.116 4.2867  28260.83   1059.14  30444.83   2119.71  27534.13   1222.72  235.850 8.2979  225.046 5.0163  10.80377       9.696346  
1 1 1 -11 24  21 o 180.634 3.8392  17722.73   751.112  18277.75   1431.34  17511.81   882.364  182.750 7.2313  179.449 4.5398  3.300262       8.538209  
1 1 1 -11 24  22 o 166.659 3.5022  15091.75   632.176  13182.06   1261.55  15732.09   730.516  154.832 7.5227  170.078 3.9656  -15.24571      8.503920  
1 1 1 -11 24  23 f 19.571  6.5259  199.484    162.144  394.227    310.797  126.659    190.059  27.193  9.0334  18.163  6.9378  9.029688       11.39020  
1 1 1 -11 24  24 f 69.995  3.0874  2665.04    234.059  2561.83    467.168  2699.63    270.452  67.840  6.4349  70.308  3.5632  -2.467400      7.355555  
1 1 1 -11 24  25 f 35.770  1.1897  693.458    46.092   715.764    47.080   179.051    226.089  36.340  1.1961  20.345  7.6123  15.99576       7.705706  
1 1 1 -11 24  26 o 87.546  2.8802  4174.51    273.103  4340.28    620.273  4134.64    304.173  88.000  6.5547  87.064  3.2256  0.9366226      7.305388  
1 1 1 -11 24  27 o 80.090  2.8355  3497.01    245.967  3452.70    590.728  3506.30    270.534  77.958  7.0731  80.141  3.1167  -2.182495      7.729329  
1 1 1 -11 24  28 o 88.451  3.3290  4285.12    318.927  4244.32    637.494  4298.74    368.335  86.222  6.8838  88.426  3.8459  -2.204071      7.885228  
1 1 1 -11 24  29 o 52.027  2.4534  1476.84    138.249  1555.49    491.654  1470.09    144.062  50.345  9.3610  51.891  2.5633  -1.545753      9.705576  
1 1 1 -11 24  30 f ?       ?       -347.4078  30.471   -354.0896  30.750   15.492     226.617  ?       ?       16.466  7.0708  0.000000       7.070767  
1 1 1 -11 24  31 o 30.051  1.2586  490.652    40.965   500.707    41.575   155.729    239.935  30.357  1.2645  19.279  7.6693  11.07833       7.772814  
1 1 1 -11 24  32 o 21.856  8.3363  272.726    274.149  563.334    491.151  141.208    330.411  28.271  11.057  20.316  8.6257  7.954990       14.02380  
1 1 1 -11 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 25  1  o 150.378 3.4627  12250.39   563.982  12474.89   624.128  11251.14   1316.76  151.745 3.7974  143.749 8.4950  7.996185       9.305168  
1 1 1 -11 25  2  o 640.018 11.071  222567.09  7674.42  225085.30  8860.59  215005.00  15354.37 643.290 12.717  625.768 22.654  17.52197       25.97953  
1 1 1 -11 25  3  o 478.217 8.6277  124103.60  4468.78  122982.80  5309.11  126827.50  8276.81  475.845 10.301  482.262 15.846  -6.417389      18.89967  
1 1 1 -11 25  4  o 307.950 5.4407  51401.06   1814.69  51209.68   2094.24  51977.80   3635.55  307.332 6.2914  309.281 10.853  -1.948517      12.54464  
1 1 1 -11 25  5  o 104.629 4.0346  5931.41    457.212  5627.69    641.149  6245.67    652.182  101.720 5.8440  107.191 5.6372  -5.471954      8.119804  
1 1 1 -11 25  6  o 474.850 11.169  122608.50  5744.47  114277.10  8120.94  130952.20  8126.87  457.362 16.394  489.866 15.317  -32.50403      22.43580  
1 1 1 -11 25  7  o 295.713 7.4071  47449.50   2372.39  47980.72   3352.99  46916.96   3357.14  297.079 10.421  293.753 10.552  3.326050       14.82983  
1 1 1 -11 25  8  o 619.757 14.571  209765.30  9781.01  203932.20  13831.24 215600.41  13833.63 608.348 20.991  625.805 20.409  -17.45624      29.27748  
1 1 1 -11 25  9  o 455.444 8.8182  112722.00  4349.95  109679.10  5326.53  118815.10  7537.33  448.834 10.957  466.094 14.930  -17.26001      18.51954  
1 1 1 -11 25  10 o 251.344 4.5676  34247.34   1243.45  34264.36   1759.75  34230.38   1757.27  251.276 6.4659  251.152 6.4600  0.1241608      9.139995  
1 1 1 -11 25  11 o 160.559 4.8196  13978.40   838.138  13088.23   1188.60  14858.76   1182.04  155.250 7.0686  165.447 6.5963  -10.19678      9.668329  
1 1 1 -11 25  12 o 456.004 8.3422  113078.30  4120.19  115944.60  5395.32  109068.00  6381.79  461.102 10.803  446.459 13.197  14.64310       17.05524  
1 1 1 -11 25  13 o 209.890 3.9963  23882.64   908.494  24239.38   1289.64  23531.20   1280.03  211.341 5.6340  208.228 5.6756  3.113388       7.997104  
1 1 1 -11 25  14 o 98.327  2.8519  5238.88    303.726  6046.83    444.005  4528.31    416.391  105.610 3.8816  91.384  4.2069  14.22646       5.724044  
1 1 1 -11 25  15 o 294.241 5.2017  46985.81   1657.74  45063.53   2345.58  48904.21   2343.22  287.827 7.5240  299.895 7.2139  -12.06818      10.42359  
1 1 1 -11 25  16 o 302.941 5.3638  49821.67   1759.95  48994.93   2490.53  50646.31   2487.37  300.035 7.6639  305.076 7.5277  -5.041199      10.74251  
1 1 1 -11 25  17 o 112.212 3.0225  6824.94    367.350  6923.08    527.738  6732.69    511.657  112.965 4.3132  111.404 4.2404  1.560844       6.048549  
1 1 1 -11 25  18 o 106.646 2.9792  6165.23    344.124  5813.82    689.862  6281.63    397.051  103.212 6.1999  107.632 3.4059  -4.420319      7.073799  
1 1 1 -11 25  19 o 138.485 3.2436  10400.07   486.524  11359.82   969.290  10076.84   562.518  144.474 6.1943  136.281 3.8109  8.193573       7.272737  
1 1 1 -11 25  20 o 55.687  2.3182  1680.82    139.819  1718.91    169.918  1600.95    246.056  56.304  2.7863  54.130  4.2305  2.173714       5.065653  
1 1 1 -11 25  21 o 153.719 3.6671  12832.95   610.543  12792.75   1336.66  12843.54   686.322  152.430 8.1255  153.725 4.1220  -1.295685      9.111297  
1 1 1 -11 25  22 o 36.632  1.3344  727.077    52.945   761.199    55.189   332.885    187.581  37.481  1.3595  24.302  6.8383  13.17915       6.972098  
1 1 1 -11 25  23 o 48.319  3.8181  1279.16    198.193  1318.26    374.823  1263.98    233.506  48.319  7.3975  47.912  4.5544  0.4069328      8.687078  
1 1 1 -11 25  24 o 141.459 3.2361  10890.92   495.824  10118.23   980.110  11156.68   574.802  135.253 6.6905  143.063 3.7095  -7.809784      7.650032  
1 1 1 -11 25  25 o 153.977 3.4555  12927.91   576.280  12756.73   1157.80  12984.28   664.432  151.322 7.0642  154.141 3.9798  -2.818985      8.108102  
1 1 1 -11 25  26 o 56.694  3.8665  1766.79    236.008  1502.55    487.338  1847.74    269.750  50.515  9.2480  57.876  4.3347  -7.360619      10.21349  
1 1 1 -11 25  27 o 79.293  3.3379  3437.20    286.668  3953.41    586.885  3275.45    328.526  83.714  6.5242  77.165  3.9439  6.549065       7.623607  
1 1 1 -11 25  28 o 68.627  3.6689  2593.24    271.724  2367.18    542.750  2668.85    313.894  63.602  8.0596  69.449  4.1926  -5.847588      9.084933  
1 1 1 -11 25  29 o 73.037  2.7632  2916.44    218.587  2870.74    302.749  2966.21    315.930  72.027  3.8952  73.176  4.0013  -1.148338      5.584196  
1 1 1 -11 25  30 o 46.276  1.9731  1166.53    98.892   1213.73    107.004  890.157    258.927  47.185  2.0937  38.957  6.3557  8.228317       6.691717  
1 1 1 -11 25  31 o ?       ?       -192.5437  43.789   -248.8054  453.096  -192.0132  43.995   19.012  8.8836  ?       ?       0.000000       8.883589  
1 1 1 -11 25  32 o 20.065  8.1103  185.477    272.846  -190.1449  491.152  353.136    328.137  19.691  9.2163  23.987  9.1271  -4.295565      12.97088  
1 1 1 -11 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 26  1  o 366.655 6.1692  72882.01   2449.96  74782.45   2827.57  67158.07   4907.20  371.346 7.0302  351.331 12.896  20.01437       14.68753  
1 1 1 -11 26  2  o 864.575 28.954  414410.59  27113.29 0.0000     0.0000   414410.59  27113.29 ?       ?       864.575 28.954  0.000000       28.95407  
1 1 1 -11 26  3  o 597.881 9.8302  194126.30  6365.74  187347.20  7349.24  214492.09  12738.19 587.035 11.559  626.148 18.783  -39.11212      22.05442  
1 1 1 -11 26  4  f 117.759 2.8462  7511.63    363.020  7100.46    416.671  8806.98    739.557  114.485 3.3603  127.469 5.3567  -12.98419      6.323402  
1 1 1 -11 26  5  o 159.148 3.4728  13721.69   598.616  13627.92   661.794  14143.64   1403.89  158.596 3.8527  161.441 8.0287  -2.845520      8.905245  
1 1 1 -11 26  6  o 478.999 9.0453  124601.30  4692.74  118941.20  8128.14  127431.30  5747.38  466.587 16.084  484.091 10.962  -17.50394      19.46392  
1 1 1 -11 26  7  o 285.195 7.1338  44131.78   2203.61  41606.78   3113.21  46667.06   3119.54  276.621 10.391  293.022 9.8293  -16.40112      14.30334  
1 1 1 -11 26  8  o 164.554 4.8960  14678.77   872.602  16220.17   1231.69  13125.51   1236.42  172.909 6.5768  155.508 7.3408  17.40120       9.856004  
1 1 1 -11 26  9  o 258.593 7.6947  36312.82   2155.15  36164.17   2636.18  36612.39   3742.29  257.885 9.4380  258.601 13.407  -0.7157288     16.39576  
1 1 1 -11 26  10 o 202.516 4.5108  22233.63   989.417  22184.15   1212.17  22332.41   1712.64  202.238 5.5339  202.757 7.7987  -0.5188293     9.562577  
1 1 1 -11 26  11 o 239.885 6.2700  31231.72   1629.07  30141.30   2304.93  32320.13   2302.79  235.384 9.0409  243.781 8.7214  -8.397476      12.56183  
1 1 1 -11 26  12 o 425.069 7.1976  98161.28   3313.73  96101.41   4686.12  100221.50  4686.51  419.887 10.304  428.850 10.090  -8.963531      14.42133  
1 1 1 -11 26  13 o 151.279 3.3283  12402.87   545.342  11233.11   772.608  13564.33   769.860  143.904 4.9570  158.155 4.4942  -14.25197      6.691037  
1 1 1 -11 26  14 o 288.391 5.4248  45137.74   1694.49  44070.06   2237.04  46574.95   2595.46  284.719 7.2541  292.544 8.1913  -7.825256      10.94166  
1 1 1 -11 26  15 o 44.732  3.6690  1092.07    176.196  1304.16    258.258  907.389    240.994  48.775  4.9575  40.494  5.6485  8.281216       7.515476  
1 1 1 -11 26  16 o 79.439  2.9693  3420.07    255.479  3512.15    369.100  3335.38    353.977  80.357  4.2560  78.308  4.1886  2.048523       5.971460  
1 1 1 -11 26  17 o 60.341  3.2917  1979.73    214.318  1955.92    313.957  2000.51    293.281  59.830  4.8876  60.552  4.5040  -0.7225952     6.646413  
1 1 1 -11 26  18 o 60.699  3.2722  2003.47    214.334  2575.03    429.720  1814.19    247.291  68.580  5.8408  57.692  3.9819  10.88864       7.069015  
1 1 1 -11 26  19 o 162.533 3.4573  14328.96   608.625  14435.71   1217.14  14293.37   702.801  162.751 6.9047  162.288 3.9983  0.4633942      7.978830  
1 1 1 -11 26  20 o 57.587  3.4294  1805.81    212.936  1830.44    424.673  1797.54    246.110  57.497  6.9611  57.400  3.9833  0.9713364E-01  8.020163  
1 1 1 -11 26  21 o 144.025 3.2440  11259.51   506.039  9849.73    1011.22  11730.51   584.489  133.965 6.9934  146.958 3.6721  -12.99289      7.898890  
1 1 1 -11 26  22 o 80.034  2.9709  3477.84    257.531  3593.75    517.549  3439.69    296.897  80.829  5.9536  79.558  3.4455  1.271355       6.878735  
1 1 1 -11 26  23 o 65.761  3.1482  2351.04    224.231  2509.42    442.222  2296.23    260.155  67.312  6.1330  64.835  3.7202  2.476242       7.173129  
1 1 1 -11 26  24 o 61.870  3.4001  2090.85    226.973  1861.64    422.832  2183.64    269.017  57.579  6.9185  63.138  3.9538  -5.558727      7.968573  
1 1 1 -11 26  25 o 65.776  3.5385  2366.94    251.161  2375.55    515.992  2364.26    287.522  64.784  7.4919  65.633  4.0646  -0.8495483     8.523474  
1 1 1 -11 26  26 o 77.592  3.3219  3285.98    279.175  3484.77    570.962  3223.52    320.041  78.685  6.7653  76.651  3.8674  2.034615       7.792711  
1 1 1 -11 26  27 o 48.824  4.3310  1321.67    226.655  1529.84    470.095  1258.61    258.712  50.857  8.8560  47.418  5.1186  3.439255       10.22884  
1 1 1 -11 26  28 o 12.511  2.1810  87.636     28.479   87.434     28.685   101.602    238.177  12.493  2.2003  18.661  7.5654  -6.167951      7.878827  
1 1 1 -11 26  29 o 42.875  1.6173  998.816    75.105   1046.30    78.896   540.119    245.215  43.879  1.6601  29.959  7.5575  13.91919       7.737726  
1 1 1 -11 26  30 o 51.124  4.4124  1468.02    241.936  1006.21    523.190  1593.63    272.863  38.534  11.592  53.113  4.7949  -14.57893      12.54412  
1 1 1 -11 26  31 o 28.022  7.2192  490.584    220.458  1169.45    490.712  318.914    246.763  40.652  10.915  23.116  8.0427  17.53651       13.55802  
1 1 1 -11 26  32 o 66.252  4.7758  2539.53    340.398  2816.25    597.828  2406.78    414.076  65.347  8.6599  63.217  6.1243  2.129757       10.60663  
1 1 1 -11 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 27  1  o 393.359 6.7555  83907.65   2878.15  86079.05   3322.05  77372.14   5763.36  398.336 7.6999  376.878 14.119  21.45853       16.08216  
1 1 1 -11 27  2  o 319.370 5.7638  55291.21   1993.77  57026.90   2300.85  50059.59   3994.59  324.297 6.5505  303.370 12.157  20.92719       13.80955  
1 1 1 -11 27  3  o 458.920 8.4554  114302.60  4202.82  117773.30  4992.66  105861.90  7786.01  465.648 9.8993  440.350 16.325  25.29810       19.09174  
1 1 1 -11 27  4  o 145.732 3.2513  11505.31   513.190  10809.85   597.293  13466.41   1003.00  141.249 3.9042  157.605 5.8758  -16.35568      7.054590  
1 1 1 -11 27  5  o 330.363 6.2116  59180.81   2222.62  58830.66   2385.24  61489.16   6124.34  329.350 6.6866  334.944 16.937  -5.594025      18.20886  
1 1 1 -11 27  6  o 175.420 3.5661  16672.38   677.545  15896.35   955.536  17457.11   960.874  171.246 5.1518  179.463 4.9433  -8.216797      7.139836  
1 1 1 -11 27  7  o 172.512 4.3469  16128.70   812.207  14096.35   1320.97  17364.06   1029.89  161.155 7.5679  178.964 5.3132  -17.80821      9.246801  
1 1 1 -11 27  8  o 322.452 7.9519  56462.36   2777.20  55018.26   3925.57  57909.38   3929.54  317.843 11.403  326.132 11.124  -8.288269      15.93054  
1 1 1 -11 27  9  o 461.554 11.005  116038.70  5501.71  112952.20  7779.42  119127.00  7781.77  453.977 15.821  466.364 15.406  -12.38721      22.08284  
1 1 1 -11 27  10 o 40.305  5.1557  895.322    219.910  1160.23    321.988  663.723    301.066  45.753  6.6958  34.266  8.2180  11.48698       10.60040  
1 1 1 -11 27  11 o 290.272 8.4008  45812.66   2641.17  46549.50   3209.61  44267.21   4648.31  292.331 10.137  283.665 15.184  8.666168       18.25716  
1 1 1 -11 27  12 o 269.801 4.8447  39479.50   1415.74  39937.50   2003.31  39022.54   2001.01  271.165 6.8209  268.032 6.8927  3.132507       9.697165  
1 1 1 -11 27  13 o 295.178 5.2088  47273.32   1665.31  48067.22   2357.73  46482.94   2352.49  297.378 7.3201  292.420 7.4276  4.957642       10.42847  
1 1 1 -11 27  14 o 221.093 4.1740  26506.46   999.539  25791.34   1416.32  27216.03   1410.81  217.939 6.0001  223.896 5.8177  -5.956360      8.357442  
1 1 1 -11 27  15 o 85.178  2.6743  3931.35    246.723  3892.55    328.635  3981.48    373.493  84.737  3.5807  85.688  4.0243  -0.9508362     5.386726  
1 1 1 -11 27  16 f 63.956  3.1528  2217.06    218.395  2318.46    315.819  2124.14    302.337  65.218  4.4985  62.411  4.5028  2.806549       6.364858  
1 1 1 -11 27  17 o 177.745 3.6212  17131.83   697.146  17570.56   989.627  16699.62   982.242  179.893 5.0791  175.370 5.1712  4.523407       7.248351  
1 1 1 -11 27  18 o 253.610 4.6353  34916.06   1273.25  35764.14   2545.84  34633.17   1470.34  255.766 9.1901  252.475 5.3769  3.291046       10.64745  
1 1 1 -11 27  19 o 134.022 3.1807  9740.81    461.709  9795.25    922.588  9722.62    533.295  134.120 6.3510  133.866 3.6781  0.2538605      7.339235  
1 1 1 -11 27  20 o 383.119 6.5850  80084.88   2732.48  81640.14   5464.50  79566.34   3155.29  382.559 13.188  381.386 7.6384  1.172668       15.24043  
1 1 1 -11 27  21 o 215.474 4.1195  25242.16   961.412  25377.15   1922.39  25197.13   1110.23  214.788 8.2634  215.141 4.7645  -0.3523560     9.538614  
1 1 1 -11 27  22 o 40.905  3.8838  918.421    170.005  992.220    284.227  877.311    212.135  42.071  6.4426  39.786  5.0356  2.285751       8.177046  
1 1 1 -11 27  23 o 53.514  1.8167  1552.94    105.298  1433.68    159.350  1645.39    140.291  51.286  2.8803  55.059  2.3525  -3.772800      3.718954  
1 1 1 -11 27  24 o 77.875  2.6927  3296.06    227.117  3065.40    340.630  3480.67    304.741  74.789  4.2224  79.924  3.5203  -5.135292      5.497355  
1 1 1 -11 27  25 o 79.910  2.7068  3473.40    234.280  3610.80    349.203  3360.93    315.933  81.271  3.9671  78.453  3.7180  2.817551       5.437075  
1 1 1 -11 27  26 o 88.914  2.9190  4307.80    281.109  3993.05    442.426  4520.90    364.038  85.025  4.8241  90.919  3.6968  -5.894081      6.077674  
1 1 1 -11 27  27 o 31.058  6.5805  561.095    214.481  1052.02    441.311  409.277    245.414  41.548  9.9401  26.528  7.9297  15.01959       12.71552  
1 1 1 -11 27  28 o 62.095  3.7843  2127.61    253.298  1869.36    537.156  2201.46    287.238  55.728  9.2218  63.022  4.2326  -7.294407      10.14677  
1 1 1 -11 27  29 o 26.496  7.1647  418.893    210.551  564.806    461.708  380.582    236.583  30.847  10.979  25.385  7.8271  5.462227       13.48314  
1 1 1 -11 27  30 o 12.863  5.9845  -158.4027  202.180  -206.7719  453.566  -146.4086  225.860  19.847  9.1387  13.931  6.4269  5.916018       11.17228  
1 1 1 -11 27  31 o 39.931  5.5103  936.524    231.968  1196.14    513.327  869.905    260.032  40.603  11.273  37.858  6.5804  2.745163       13.05271  
1 1 1 -11 27  32 o 14.108  2.4782  112.726    36.487   0.0000     0.0000   112.726    36.487   ?       ?       14.108  2.4782  0.000000       2.478236  
1 1 1 -11 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 28  1  o 234.308 4.8561  29753.13   1232.37  30370.28   1332.10  26088.19   3246.19  236.713 5.1957  218.413 13.793  18.29990       14.73919  
1 1 1 -11 28  2  o 205.449 4.2184  22871.27   938.694  22743.78   1020.58  23571.52   2391.81  204.865 4.5995  207.991 10.653  -3.125519      11.60353  
1 1 1 -11 28  3  o 207.119 3.9497  23243.27   886.048  23152.32   1021.37  23519.90   1781.27  206.696 4.5623  208.193 7.8994  -1.496414      9.122206  
1 1 1 -11 28  4  o 164.086 3.3648  14586.33   597.998  13949.69   688.494  16541.82   1206.65  160.454 3.9617  174.654 6.3787  -14.20058      7.508863  
1 1 1 -11 28  5  o 243.866 4.0447  32225.04   1068.34  30449.30   1378.57  34894.93   1690.39  237.000 5.3705  253.672 6.1524  -16.67180      8.166636  
1 1 1 -11 28  6  o 260.521 5.0228  36790.88   1417.28  36605.24   1873.71  37039.11   2166.76  259.769 6.6595  261.233 7.6579  -1.464417      10.14857  
1 1 1 -11 28  7  o 907.797 15.002  450428.31  14750.18 441795.31  20859.34 459062.31  20860.46 894.715 21.525  912.358 21.110  -17.64313      30.14901  
1 1 1 -11 28  8  o 423.439 7.0101  97316.43   3215.04  93206.07   4545.67  101430.70  4547.83  413.898 10.140  431.854 9.7229  -17.95599      14.04824  
1 1 1 -11 28  9  o 161.153 4.8161  14080.41   840.626  13945.12   1186.50  14216.77   1191.16  160.284 6.8345  161.839 6.7954  -1.555756      9.637875  
1 1 1 -11 28  10 o 225.472 5.9778  27583.92   1459.83  27842.99   2064.34  27324.76   2064.68  226.316 8.4216  224.191 8.5028  2.124298       11.96754  
1 1 1 -11 28  11 o 130.837 4.3734  9280.83    619.755  8742.95    879.747  9810.75    873.221  126.745 6.4295  134.455 5.9962  -7.709587      8.791691  
1 1 1 -11 28  12 o 231.727 6.1116  29149.82   1533.92  28913.72   2171.79  29384.84   2166.78  230.502 8.6991  232.384 8.6087  -1.881958      12.23863  
1 1 1 -11 28  13 o 126.267 3.1029  8639.98    424.350  8476.42    605.435  8797.92    594.945  125.021 4.4711  127.376 4.3124  -2.355087      6.211906  
1 1 1 -11 28  14 o 177.013 3.6374  16985.68   697.379  16386.10   993.023  17569.17   979.599  173.765 5.2763  179.946 5.0262  -6.181046      7.287059  
1 1 1 -11 28  15 o 371.705 6.3867  75072.17   2571.26  75299.77   3638.02  74845.00   3634.60  371.650 9.0377  370.521 9.0568  1.129181       12.79477  
1 1 1 -11 28  16 o 103.120 2.9711  5763.26    331.845  5731.68    474.075  5793.59    464.666  102.794 4.2580  103.352 4.1510  -0.5578308     5.946562  
1 1 1 -11 28  17 o 141.903 3.2645  10916.79   501.735  10283.04   713.512  11536.68   705.673  137.636 4.7863  145.807 4.4684  -8.170486      6.547938  
1 1 1 -11 28  18 f 125.968 3.5884  8606.09    489.587  7924.87    846.157  8948.92    600.270  120.501 6.5073  128.410 4.3160  -7.908531      7.808526  
1 1 1 -11 28  19 o 26.958  1.7423  395.385    50.601   386.472    52.335   523.229    198.214  26.645  1.8244  30.453  6.2198  -3.807266      6.481845  
1 1 1 -11 28  20 o 64.094  3.2994  2234.98    228.270  2655.65    453.019  2091.83    264.272  69.536  6.0760  61.937  3.9601  7.598740       7.252607  
1 1 1 -11 28  21 o 50.600  3.7041  1398.53    201.593  1088.07    387.313  1513.89    236.095  43.733  8.4828  52.598  4.1787  -8.864807      9.456214  
1 1 1 -11 28  22 o 151.471 3.3393  12469.39   547.843  12009.54   1093.93  12623.33   632.933  147.816 6.8328  152.316 3.8366  -4.499924      7.836187  
1 1 1 -11 28  23 o 54.258  3.5919  1609.75    209.891  1446.12    390.282  1676.33    248.958  50.625  7.3311  55.280  4.1892  -4.655014      8.443621  
1 1 1 -11 28  24 o 52.662  3.7783  1520.31    214.074  1404.18    462.055  1552.05    241.565  49.239  8.9953  53.130  4.2329  -3.890945      9.941486  
1 1 1 -11 28  25 o 45.549  4.3907  1147.05    213.928  1817.91    444.972  945.372    243.973  56.542  7.4471  41.020  5.6406  15.52272       9.342134  
1 1 1 -11 28  26 o 34.506  5.9593  679.010    214.665  924.020    440.724  602.805    245.792  39.098  10.274  32.153  7.2331  6.945011       12.56435  
1 1 1 -11 28  27 o 43.427  4.7589  1053.71    220.171  1374.59    479.162  967.833    247.890  47.749  9.5980  41.325  5.6891  6.423256       11.15739  
1 1 1 -11 28  28 o 43.544  4.8503  1064.98    224.868  1083.71    488.234  1059.94    253.338  41.430  10.778  43.209  5.5409  -1.778721      12.11868  
1 1 1 -11 28  29 o 35.079  5.9730  713.495    218.807  402.789    480.366  794.838    245.786  28.258  10.968  36.911  6.3788  -8.652378      12.68764  
1 1 1 -11 28  30 o 49.091  4.7219  1363.60    247.973  1495.52    521.588  1325.08    281.865  47.888  10.357  48.017  5.5201  -0.1286507     11.73654  
1 1 1 -11 28  31 o 15.535  6.7453  11.014     210.795  -260.2599  473.791  77.964     235.374  19.168  8.9970  17.466  7.3402  1.701916       11.61143  
1 1 1 -11 28  32 o 24.489  9.9428  348.496    412.035  0.0000     0.0000   348.496    412.035  ?       ?       24.489  9.9428  0.000000       9.942780  
1 1 1 -11 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 29  1  o 266.758 4.6338  38563.59   1338.84  37618.55   1543.65  41432.94   2689.77  263.435 5.4101  276.237 8.9901  -12.80194      10.49240  
1 1 1 -11 29  2  o 406.065 7.4058  89456.14   3257.17  89556.57   3866.23  89210.56   6045.80  406.144 8.7890  404.611 13.796  1.532379       16.35753  
1 1 1 -11 29  3  o 160.375 3.6453  13934.94   633.200  13790.48   706.491  14524.81   1427.64  159.532 4.0887  163.592 8.0573  -4.060165      9.035320  
1 1 1 -11 29  4  o 34.854  3.4460  664.572    128.383  683.010    143.169  588.888    290.070  35.300  3.8047  32.323  8.2559  2.976807       9.090446  
1 1 1 -11 29  5  o 111.723 2.7525  6761.61    333.080  6863.43    466.547  6655.77    475.677  112.547 3.8273  110.829 3.9627  1.717865       5.509180  
1 1 1 -11 29  6  f 74.112  2.7491  2975.44    220.673  2904.98    310.135  3047.70    314.060  73.112  3.9309  74.895  3.8849  -1.782715      5.526692  
1 1 1 -11 29  7  o 359.827 5.8814  70222.30   2292.17  67592.06   3240.50  72856.22   3242.75  352.740 8.4818  366.259 8.1744  -13.51874      11.77969  
1 1 1 -11 29  8  o 150.575 3.3331  12284.92   543.585  11950.37   742.471  12671.41   798.021  148.475 4.6170  152.881 4.8194  -4.406738      6.674030  
1 1 1 -11 29  9  o 161.653 3.5458  14160.75   620.829  13729.63   843.587  14670.13   916.966  159.127 4.8946  164.477 5.1473  -5.349350      7.102924  
1 1 1 -11 29  10 o 179.492 4.1473  17463.90   806.269  19056.59   1398.20  16670.46   986.876  187.343 6.8907  175.320 5.1971  12.02264       8.630825  
1 1 1 -11 29  11 o 234.898 6.1713  29949.90   1570.09  28242.17   2221.01  31655.88   2219.88  227.809 9.0014  241.249 8.4956  -13.43935      12.37742  
1 1 1 -11 29  12 o 314.885 7.8413  53912.80   2674.29  53136.38   3785.67  54686.23   3778.39  311.957 11.204  316.516 11.022  -4.558563      15.71643  
1 1 1 -11 29  13 f 250.673 6.5584  34133.34   1780.64  32539.06   2525.39  35709.59   2511.08  244.333 9.5428  256.042 9.0548  -11.70903      13.15503  
1 1 1 -11 29  14 o 201.225 4.4742  21961.75   975.143  23123.41   1199.48  19697.50   1674.62  206.409 5.3653  190.235 8.1275  16.17349       9.738708  
1 1 1 -11 29  15 o 106.158 2.9312  6107.38    337.035  6544.69    487.741  5707.73    466.263  109.856 4.0992  102.588 4.1963  7.268082       5.866179  
1 1 1 -11 29  16 o 105.431 3.0170  6024.75    344.524  6627.70    496.595  5465.22    478.378  110.540 4.1477  100.369 4.4005  10.17117       6.047160  
1 1 1 -11 29  17 o 15.783  6.2866  68.078     161.407  118.242    233.603  22.251     223.276  19.398  7.6144  17.070  7.1602  2.327589       10.45216  
1 1 1 -11 29  18 o 58.644  3.2941  1870.76    208.384  1920.15    290.669  1818.52    298.902  59.297  4.5608  57.667  4.8301  1.630707       6.643054  
1 1 1 -11 29  19 o 286.251 5.1138  44544.77   1585.47  46368.14   3170.75  43936.88   1830.78  290.456 10.079  284.099 5.9497  6.355988       11.70397  
1 1 1 -11 29  20 o 301.992 5.3536  49655.16   1751.12  49916.51   3501.58  49568.00   2022.15  300.349 10.764  301.454 6.1933  -1.104950      12.41840  
1 1 1 -11 29  21 o 48.883  3.6224  1305.37    190.423  1132.36    379.524  1363.58    220.137  44.693  8.1401  49.906  4.1091  -5.212898      9.118458  
1 1 1 -11 29  22 o 75.938  3.0097  3132.32    247.545  3348.72    494.025  3059.77    286.046  77.970  5.8934  75.012  3.5208  2.958984       6.864996  
1 1 1 -11 29  23 o 63.534  2.5556  2192.08    175.861  2122.28    226.518  2298.00    279.020  62.361  3.3662  64.800  3.9950  -2.439339      5.224062  
1 1 1 -11 29  24 o 16.993  6.6068  102.326    174.546  102.100    386.451  102.384    195.638  22.939  9.5044  17.668  6.9578  5.271267       11.77897  
1 1 1 -11 29  25 o 40.225  4.8911  902.054    208.709  1607.46    442.562  700.303    236.681  52.906  7.9707  34.975  6.4867  17.93010       10.27661  
1 1 1 -11 29  26 o 76.794  3.3472  3220.67    278.404  3853.35    584.369  3034.90    316.650  82.782  6.5715  74.324  3.9476  8.458160       7.666075  
1 1 1 -11 29  27 o 67.065  3.5755  2471.05    258.780  3002.42    547.925  2318.50    293.586  72.519  7.0657  64.776  4.2073  7.742325       8.223462  
1 1 1 -11 29  28 o 31.748  6.3894  588.672    212.102  93.828     466.510  717.617    238.139  23.906  10.202  35.095  6.5044  -11.18983      12.09897  
1 1 1 -11 29  29 o 65.859  3.7190  2398.26    264.202  2530.20    564.483  2361.25    298.970  65.214  8.1711  65.139  4.2610  0.7456970E-01  9.215419  
1 1 1 -11 29  30 o 41.083  5.4818  974.450    237.840  1128.32    502.182  929.955    270.047  40.812  11.077  39.630  6.5180  1.181675       12.85250  
1 1 1 -11 29  31 o 75.027  2.8539  3109.04    231.913  2306.99    616.827  3241.09    250.277  58.039  10.184  76.514  3.0200  -18.47492      10.62206  
1 1 1 -11 29  32 o 27.586  10.397  535.237    423.260  0.0000     0.0000   535.237    423.260  ?       ?       27.586  10.397  0.000000       10.39710  
1 1 1 -11 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 30  1  o 464.125 8.2287  116928.10  4136.54  113362.50  4912.63  125615.40  7668.15  456.752 9.9303  479.826 14.755  -23.07388      17.78535  
1 1 1 -11 30  2  f 273.756 5.0487  40620.93   1496.98  40861.55   1726.95  39893.66   3002.37  274.526 5.8080  270.923 10.232  3.602966       11.76523  
1 1 1 -11 30  3  o 196.378 3.9778  20896.38   846.065  21257.20   922.706  18991.09   2120.31  198.057 4.3013  186.603 10.534  11.45398       11.37824  
1 1 1 -11 30  4  o 143.642 2.8732  11177.26   447.016  11210.69   576.216  11126.72   708.419  143.842 3.6985  143.284 4.5648  0.5586395      5.875089  
1 1 1 -11 30  5  o 121.930 3.0110  8054.09    397.640  7372.17    558.608  8754.58    566.164  116.630 4.4221  127.103 4.1126  -10.47218      6.038892  
1 1 1 -11 30  6  o 544.762 9.0841  161267.80  5359.92  159680.80  7579.60  162855.20  7580.54  541.121 12.932  546.510 12.807  -5.388977      18.20044  
1 1 1 -11 30  7  o 397.526 6.7260  85754.64   2895.97  80154.73   4094.13  91362.19   4096.92  383.880 9.8468  409.949 9.2269  -26.06879      13.49430  
1 1 1 -11 30  8  o 528.865 8.7723  152040.30  5024.93  147664.91  7105.57  156417.59  7107.07  520.163 12.612  535.472 12.254  -15.30963      17.58496  
1 1 1 -11 30  9  o 270.364 4.7809  39633.07   1399.99  38941.50   1979.51  40325.16   1980.27  267.829 6.8238  272.557 6.7081  -4.727844      9.568849  
1 1 1 -11 30  10 o 156.832 3.1907  13327.79   541.986  14204.28   774.199  12485.40   758.995  161.864 4.4160  151.747 4.6179  10.11722       6.389570  
1 1 1 -11 30  11 o 286.945 7.2379  44735.26   2249.49  43931.64   3184.10  45536.02   3178.43  283.875 10.356  289.049 10.152  -5.174286      14.50236  
1 1 1 -11 30  12 o 64.381  4.4414  2258.34    307.810  2228.82    473.638  2279.92    404.994  63.671  6.9826  64.547  5.8568  -0.8753357     9.113633  
1 1 1 -11 30  13 o 188.755 5.8027  19341.61   1186.31  20073.31   1503.51  18134.71   1930.97  192.165 7.2238  182.100 9.8267  10.06464       12.19617  
1 1 1 -11 30  14 o 115.903 4.3050  7285.45    540.432  6278.27    777.084  8228.91    752.099  107.274 6.7220  123.116 5.6402  -15.84155      8.774800  
1 1 1 -11 30  15 o 222.156 5.9372  26806.15   1428.59  27236.81   2035.30  26387.93   2005.70  223.603 8.4039  220.090 8.4139  3.513596       11.89195  
1 1 1 -11 30  16 o 201.228 3.9020  21960.30   850.454  22606.17   1207.76  21325.09   1197.74  204.026 5.4655  198.149 5.5809  5.877167       7.811360  
1 1 1 -11 30  17 o 33.962  5.2767  641.215    187.798  831.234    285.429  496.165    249.378  38.472  7.1119  29.629  7.7003  8.842726       10.48205  
1 1 1 -11 30  18 o 45.409  4.3715  1129.62    212.344  880.246    335.619  1296.08    274.204  39.443  8.1265  48.550  5.3006  -9.107460      9.702367  
1 1 1 -11 30  19 o 155.706 3.3894  13152.58   571.603  12804.72   1140.74  13269.21   660.507  153.216 6.8740  156.350 3.9004  -3.134201      7.903509  
1 1 1 -11 30  20 o 70.379  3.1171  2687.56    237.611  2276.51    471.002  2827.89    275.196  64.179  6.8832  72.174  3.5204  -7.994980      7.731254  
1 1 1 -11 30  21 o 129.661 3.1313  9127.92    439.746  8482.99    877.154  9344.43    508.226  124.299 6.5384  131.139 3.5781  -6.840279      7.453393  
1 1 1 -11 30  22 o 162.166 3.6000  14305.51   632.310  13549.83   1211.56  14588.39   741.271  156.803 7.1338  163.634 4.1825  -6.830322      8.269437  
1 1 1 -11 30  23 o 128.383 3.1424  8964.73    436.959  8286.28    857.059  9203.02    507.932  122.407 6.4876  129.989 3.6077  -7.581436      7.423254  
1 1 1 -11 30  24 o 86.664  3.1316  4088.40    293.948  4899.89    622.014  3855.06    333.543  94.002  6.1431  84.075  3.6628  9.927124       7.152192  
1 1 1 -11 30  25 o 29.055  1.2207  457.624    38.414   252.628    306.635  460.892    38.719   23.684  8.8645  29.159  1.2260  -5.475143      8.948849  
1 1 1 -11 30  26 o 30.725  2.1424  515.498    70.849   490.334    74.345   764.317    233.781  29.941  2.3104  36.597  6.1135  -6.655926      6.535522  
1 1 1 -11 30  27 o 43.150  1.5402  1010.60    71.984   1064.40    75.549   480.521    237.154  44.282  1.5752  28.517  7.5568  15.76469       7.719246  
1 1 1 -11 30  28 o 65.398  3.6708  2358.69    258.959  2478.03    551.406  2324.92    293.317  64.937  8.0096  64.745  4.2055  0.1921082      9.046571  
1 1 1 -11 30  29 o 17.408  7.0192  95.122     203.831  -18.1103   452.611  123.929    228.291  22.027  9.7151  18.719  7.4701  3.307505       12.25501  
1 1 1 -11 30  30 o 22.534  7.6146  294.137    220.770  207.772    470.929  318.464    249.936  24.612  10.365  23.450  8.0979  1.161438       13.15331  
1 1 1 -11 30  31 o 20.153  7.4723  222.987    216.878  511.249    488.379  152.176    242.054  27.917  10.993  18.989  7.6518  8.927780       13.39426  
1 1 1 -11 30  32 o 30.660  10.686  707.950    435.746  0.0000     0.0000   707.950    435.746  ?       ?       30.660  10.686  0.000000       10.68645  
1 1 1 -11 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 31  1  o 637.525 11.547  221174.50  7973.50  221883.41  8503.39  216012.00  22946.27 638.339 12.299  617.548 34.443  20.79114       36.57329  
1 1 1 -11 31  2  o 583.122 9.4332  184745.00  5957.82  180026.80  6878.04  198923.50  11923.24 575.283 11.039  602.396 18.274  -27.11377      21.34951  
1 1 1 -11 31  3  o 541.601 9.0065  159337.80  5283.31  163967.91  6099.92  145434.70  10570.35 549.166 10.255  514.760 18.959  34.40662       21.55491  
1 1 1 -11 31  4  o 766.091 12.646  319815.91  10492.84 304411.31  14838.39 335223.59  14839.84 744.843 18.393  782.104 17.518  -37.26044      25.40071  
1 1 1 -11 31  5  o 393.495 6.7193  84008.67   2863.76  85591.66   4049.53  82424.99   4050.41  396.830 9.4217  389.393 9.6037  7.437622       13.45364  
1 1 1 -11 31  6  o 300.886 5.3079  49088.65   1729.79  48920.72   2445.29  49256.86   2447.29  300.184 7.5209  301.216 7.5013  -1.031464      10.62235  
1 1 1 -11 31  7  o 462.339 7.6225  116077.30  3817.06  110616.00  5396.90  121543.70  5399.40  450.653 11.057  472.510 10.550  -21.85681      15.28275  
1 1 1 -11 31  8  o 155.494 3.1805  13100.50   535.656  12670.93   756.008  13533.54   759.063  152.882 4.5656  158.005 4.4354  -5.122910      6.365379  
1 1 1 -11 31  9  o 184.312 3.5941  18409.88   717.488  18738.60   1014.30  18080.67   1015.06  185.888 5.0378  182.591 5.1327  3.297226       7.191948  
1 1 1 -11 31  10 o 222.289 4.1422  26786.16   997.293  26641.95   1412.05  26929.69   1408.73  221.577 5.8837  222.774 5.8384  -1.196793      8.288855  
1 1 1 -11 31  11 o 300.422 6.0530  48990.68   1969.58  47082.25   2411.41  52815.45   3413.77  294.321 7.5645  311.280 10.125  -16.95938      12.63905  
1 1 1 -11 31  12 o 159.555 3.3971  13797.57   587.075  13550.55   829.733  14045.21   830.766  158.055 4.8468  160.919 4.7665  -2.863266      6.797925  
1 1 1 -11 31  13 o 127.678 4.3871  8840.68    606.688  8010.65    864.797  9645.07    851.335  121.249 6.6101  133.284 5.8973  -12.03482      8.858381  
1 1 1 -11 31  14 o 47.885  4.9896  1257.63    254.980  1101.34    389.634  1374.69    337.213  44.246  8.4384  49.900  6.3858  -5.653580      10.58228  
1 1 1 -11 31  15 o 252.443 6.5515  34638.53   1791.33  34756.04   2545.36  34523.21   2521.46  252.400 9.3109  251.565 9.2541  0.8355408      13.12745  
1 1 1 -11 31  16 f 259.972 6.7186  36760.24   1891.80  36276.20   2682.44  37239.23   2668.43  257.672 9.6115  261.112 9.4354  -3.439667      13.46876  
1 1 1 -11 31  17 o 79.387  3.7781  3418.27    324.852  3146.55    415.832  3843.78    520.372  75.950  5.0844  83.901  5.7612  -7.951614      7.683914  
1 1 1 -11 31  18 o 170.535 3.5886  15775.78   662.842  15327.85   943.056  16213.13   931.844  167.944 5.1844  172.749 4.9803  -4.805023      7.189013  
1 1 1 -11 31  19 o 153.177 3.4014  12729.98   564.311  14874.57   1106.58  11976.25   656.023  165.227 6.1835  148.513 4.0783  16.71402       7.407316  
1 1 1 -11 31  20 o 151.749 3.3337  12499.67   547.927  14857.51   1111.69  11743.08   629.730  164.972 6.2216  147.016 3.9548  17.95590       7.372128  
1 1 1 -11 31  21 o 161.141 3.4408  14107.64   600.523  14157.45   1199.53  14090.98   693.717  160.645 6.8940  160.958 3.9792  -0.3128815     7.960040  
1 1 1 -11 31  22 o 97.327  3.0126  5146.70    317.574  4849.67    613.763  5255.30    371.114  93.819  6.0726  98.294  3.4859  -4.474686      7.001996  
1 1 1 -11 31  23 o 51.345  2.2044  1430.82    122.593  1482.82    142.550  1283.12    240.238  52.252  2.5188  48.222  4.6576  4.029957       5.295101  
1 1 1 -11 31  24 o 104.587 2.9955  5952.51    339.330  5738.70    725.217  6012.44    383.953  101.536 6.6308  105.043 3.3747  -3.506973      7.440196  
1 1 1 -11 31  25 o 88.141  3.1984  4235.72    305.341  4320.92    633.576  4209.94    348.480  87.789  6.7142  87.780  3.6653  0.9124756E-02  7.649532  
1 1 1 -11 31  26 o 47.007  4.3991  1224.98    221.370  1106.87    477.324  1257.34    249.867  42.639  10.423  47.492  4.9294  -4.853123      11.53004  
1 1 1 -11 31  27 o 23.286  7.2008  309.923    200.069  538.421    439.386  250.157    224.716  30.737  10.730  21.883  7.6715  8.853962       13.19033  
1 1 1 -11 31  28 o 37.048  1.4478  745.133    58.095   769.053    59.950   376.451    235.363  37.637  1.4706  25.346  7.8055  12.29065       7.942851  
1 1 1 -11 31  29 f 54.010  2.5252  1593.46    147.722  1530.47    175.037  1749.37    275.383  52.736  3.0778  55.869  4.5915  -3.133068      5.527617  
1 1 1 -11 31  30 o 46.151  2.4105  1168.85    120.072  1941.79    514.810  1124.39    123.478  55.620  8.8416  45.232  2.5306  10.38774       9.196627  
1 1 1 -11 31  31 o 30.812  6.8913  594.295    224.215  408.430    493.268  642.698    251.723  26.386  10.815  31.734  7.4510  -5.348507      13.13288  
1 1 1 -11 31  32 o 16.574  7.9050  -317.5595  394.419  0.0000     0.0000   -317.5595  394.419  ?       ?       16.574  7.9050  0.000000       7.905011  
1 1 1 -11 31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 32  1  o 335.799 5.9750  61149.70   2173.15  61105.71   2507.52  61282.46   4355.79  335.601 6.8984  335.468 11.988  0.1335754      13.83112  
1 1 1 -11 32  2  o 332.267 5.8161  59866.37   2093.08  60823.70   2415.35  56979.75   4194.15  334.845 6.6599  323.473 11.971  11.37173       13.69898  
1 1 1 -11 32  3  o 265.416 4.2597  38177.36   1224.54  39451.29   1580.33  36263.18   1937.17  269.748 5.4090  258.524 6.9182  11.22412       8.781786  
1 1 1 -11 32  4  o 392.399 6.7126  83541.20   2852.93  81739.50   4033.90  85344.23   4035.40  387.770 9.6046  396.259 9.4024  -8.489288      13.44075  
1 1 1 -11 32  5  o 68.832  2.6240  2566.52    195.624  2502.41    274.045  2633.14    279.341  67.853  3.7434  69.609  3.7185  -1.756821      5.276415  
1 1 1 -11 32  6  o 138.391 3.0843  10376.37   462.308  10712.28   651.237  10035.12   656.398  140.585 4.2769  136.064 4.4540  4.520798       6.174982  
1 1 1 -11 32  7  o 175.890 3.7143  16765.37   707.595  16952.78   953.963  16536.14   1055.03  176.822 4.9811  174.609 5.5787  2.213272       7.478809  
1 1 1 -11 32  8  o 195.153 3.7065  20639.43   783.440  21057.35   1106.96  20220.01   1108.94  197.052 5.1866  193.088 5.3025  3.963699       7.417395  
1 1 1 -11 32  9  f 130.458 3.0564  9221.65    431.868  8904.51    607.949  9544.70    613.599  128.161 4.3797  132.691 4.2694  -4.530640      6.116348  
1 1 1 -11 32  10 o 210.570 5.0204  24048.70   1145.00  23705.42   1831.53  24268.93   1467.01  208.808 8.0984  211.431 6.4061  -2.623047      10.32577  
1 1 1 -11 32  11 o 317.676 6.4401  54799.13   2215.89  55510.46   2713.09  53373.90   3840.34  319.526 7.8395  312.641 11.341  6.885193       13.78687  
1 1 1 -11 32  12 o 249.385 4.5416  33729.14   1226.73  32913.00   1735.41  34544.25   1734.32  246.164 6.5089  252.208 6.3489  -6.044510      9.092545  
1 1 1 -11 32  13 o 170.475 3.5276  15752.94   651.351  15220.65   923.339  16280.22   918.976  167.486 5.0899  173.230 4.8979  -5.743988      7.063784  
1 1 1 -11 32  14 o 132.003 3.6658  9446.66    524.117  10728.60   912.403  8815.33    640.300  140.549 5.9936  127.475 4.6375  13.07370       7.578286  
1 1 1 -11 32  15 o 230.924 6.1120  28973.20   1528.70  29414.33   2175.93  28543.25   2148.17  232.295 8.6484  228.827 8.6674  3.468719       12.24414  
1 1 1 -11 32  16 o 275.423 7.0502  41283.36   2103.16  40237.33   2980.46  42320.81   2968.21  271.200 10.147  278.214 9.8502  -7.013672      14.14146  
1 1 1 -11 32  17 o 65.335  4.7850  2329.93    336.252  2423.11    563.421  2278.38    419.065  66.180  8.0243  64.448  6.0752  1.732445       10.06465  
1 1 1 -11 32  18 o 28.496  8.0320  455.360    258.560  888.176    411.673  173.401    332.272  39.477  9.6980  23.174  9.0861  16.30271       13.28942  
1 1 1 -11 32  19 o 187.428 3.9639  19074.19   804.681  19465.73   1962.53  18995.06   882.252  187.887 9.6767  186.987 4.3562  0.8997498      10.61202  
1 1 1 -11 32  20 o 295.359 5.5019  47557.34   1760.10  47981.03   3285.14  47386.75   2084.53  294.243 10.308  294.429 6.5367  -0.1859741     12.20593  
1 1 1 -11 32  21 o 71.172  2.6706  2748.85    205.869  2403.04    294.731  3078.31    287.681  66.325  4.1232  75.259  3.5293  -8.934189      5.427382  
1 1 1 -11 32  22 o 145.235 3.2650  11469.06   513.597  11178.37   1027.42  11565.90   593.007  142.483 6.6575  145.752 3.7564  -3.269150      7.644171  
1 1 1 -11 32  23 o 43.538  4.0863  1043.43    190.441  747.916    347.906  1169.86    227.562  35.813  8.9843  46.024  4.6278  -10.21078      10.10619  
1 1 1 -11 32  24 o 54.171  1.6933  1591.73    99.349   1831.90    148.631  1397.77    133.573  58.071  2.3631  50.721  2.4314  7.350048       3.390603  
1 1 1 -11 32  25 o 77.983  3.3181  3317.74    280.259  2781.68    584.038  3478.11    319.440  69.850  7.8561  79.774  3.6971  -9.924225      8.682518  
1 1 1 -11 32  26 o 38.097  5.2047  816.989    209.145  930.096    455.265  786.733    235.462  39.033  10.527  37.128  6.0646  1.904816       12.14918  
1 1 1 -11 32  27 o 18.554  7.0481  146.667    195.471  874.704    435.722  -36.7722   218.715  37.591  10.366  15.487  6.7946  22.10315       12.39463  
1 1 1 -11 32  28 o 34.839  5.8888  700.614    214.288  552.935    465.780  740.264    241.347  30.826  11.021  35.613  6.4963  -4.787092      12.79317  
1 1 1 -11 32  29 o 45.628  1.9864  1133.69    98.167   1174.18    106.324  899.744    255.570  46.419  2.1148  39.313  6.2081  7.105076       6.558430  
1 1 1 -11 32  30 o 7.6509  2.8793  23.865     32.436   21.010     32.750   170.392    234.637  7.4949  2.8759  19.561  7.6447  -12.06560      8.167771  
1 1 1 -11 32  31 o 50.082  1.5636  1367.01    84.816   1324.03    124.628  1404.09    115.759  49.094  2.3438  50.624  2.1112  -1.530270      3.154425  
1 1 1 -11 32  32 o 44.136  10.053  1405.70    469.806  0.0000     0.0000   1405.70    469.806  ?       ?       44.136  10.053  0.000000       10.05257  
1 1 1 -11 32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 33  1  o 258.387 4.4627  36185.34   1248.92  35846.64   1439.86  37214.37   2509.74  257.139 5.1699  261.724 8.8535  -4.585297      10.25239  
1 1 1 -11 33  2  o 140.142 3.0668  10640.09   465.513  10192.04   521.124  12409.68   1035.65  137.152 3.5081  151.253 6.3218  -14.10179      7.229903  
1 1 1 -11 33  3  o 97.902  2.7090  5192.21    287.256  5354.11    404.421  5027.36    408.087  99.402  3.7564  96.319  3.9118  3.083267       5.423290  
1 1 1 -11 33  4  o 80.920  2.6659  3547.19    233.652  3437.21    328.794  3659.39    332.100  79.643  3.8116  82.178  3.7312  -2.534851      5.333848  
1 1 1 -11 33  5  o 98.708  2.7247  5278.25    291.297  5256.21    408.399  5301.08    415.607  98.485  3.8286  98.904  3.8797  -0.4186096     5.450733  
1 1 1 -11 33  6  o 320.460 5.5422  55695.90   1923.65  53940.62   2719.53  57453.57   2721.38  315.123 7.9679  325.252 7.7250  -10.12909      11.09787  
1 1 1 -11 33  7  o 172.258 3.4781  16079.05   648.925  16407.70   915.945  15747.85   919.504  173.959 4.8613  170.420 4.9815  3.538879       6.960466  
1 1 1 -11 33  8  o 362.345 6.5866  71266.84   2584.94  72722.41   3394.52  69257.70   3988.11  365.734 8.5693  356.601 10.326  9.132782       13.41826  
1 1 1 -11 33  9  o 343.010 6.3863  63865.18   2372.61  64107.00   3117.94  63532.54   3656.90  343.370 8.3837  341.562 9.8849  1.808350       12.96141  
1 1 1 -11 33  10 o 429.335 8.3626  100255.80  3888.72  106235.20  6736.29  97267.20   4762.39  440.196 14.129  422.387 10.410  17.80893       17.54955  
1 1 1 -11 33  11 o 308.658 7.0588  51763.51   2359.82  50300.76   2619.39  58066.17   5437.21  304.131 7.9519  324.890 15.451  -20.75967      17.37755  
1 1 1 -11 33  12 o 227.479 4.2588  28059.56   1049.30  27193.16   1483.03  28928.08   1484.83  223.787 6.1185  230.833 5.9390  -7.046036      8.526839  
1 1 1 -11 33  13 o 90.902  2.7071  4477.43    266.529  4719.22    405.740  4293.89    353.495  93.293  4.0154  88.999  3.6672  4.294327       5.437957  
1 1 1 -11 33  14 o 112.343 3.0191  6839.96    367.358  6486.04    525.082  7179.27    514.135  109.351 4.4334  115.059 4.1256  -5.707771      6.056019  
1 1 1 -11 33  15 o 80.719  3.0270  3531.40    264.639  3771.75    386.003  3318.24    363.520  83.275  4.2942  78.093  4.3145  5.182449       6.087324  
1 1 1 -11 33  16 o 169.867 5.0244  15666.58   924.396  15648.19   1320.17  15684.27   1294.79  169.538 7.1894  169.752 7.0423  -0.2134094     10.06384  
1 1 1 -11 33  17 o 148.672 4.6846  12000.42   754.344  12412.11   1085.13  11615.40   1049.38  151.009 6.6345  146.082 6.6323  4.926620       9.381049  
1 1 1 -11 33  18 o 123.041 4.4541  8221.26    593.582  8332.54    857.570  8118.91    822.434  123.522 6.4322  121.953 6.2474  1.568710       8.966759  
1 1 1 -11 33  19 o 54.826  6.9844  1667.56    405.327  0.0000     0.0000   1667.56    405.327  ?       ?       54.826  6.9844  0.000000       6.984381  
1 1 1 -11 33  20 o 56.102  4.8405  1726.24    291.249  0.0000     0.0000   1726.24    291.249  ?       ?       56.102  4.8405  0.000000       4.840487  
1 1 1 -11 33  21 o 66.297  3.1982  2387.68    229.652  2449.06    488.095  2370.23    260.259  66.432  6.8834  65.923  3.6594  0.5094299      7.795702  
1 1 1 -11 33  22 o 58.933  3.4721  1896.20    220.646  1433.06    458.638  2035.68    251.686  50.019  8.7864  61.017  3.8277  -10.99865      9.583972  
1 1 1 -11 33  23 o 52.327  2.1957  1486.26    124.445  1512.23    430.220  1483.89    130.002  51.521  7.9667  52.280  2.2959  -0.7585030     8.290874  
1 1 1 -11 33  24 o 138.300 3.2569  10421.19   487.857  11034.64   993.652  10226.35   559.999  141.045 6.5044  136.858 3.7779  4.186569       7.521921  
1 1 1 -11 33  25 o 135.366 3.3362  9999.04    489.142  11100.98   985.084  9638.43    563.522  141.180 6.4421  132.712 3.9204  8.468704       7.541253  
1 1 1 -11 33  26 o 69.221  2.6936  2610.50    201.947  2490.65    275.345  2750.02    297.086  67.314  3.7921  70.714  3.8939  -3.400597      5.435264  
1 1 1 -11 33  27 o 46.006  4.5152  1180.07    222.090  1657.81    480.466  1050.27    250.452  52.822  8.7011  43.077  5.4930  9.744869       10.28993  
1 1 1 -11 33  28 o 23.873  7.2946  332.260    206.019  -260.8308  458.176  482.563    230.651  19.807  9.1434  28.410  7.4163  -8.602507      11.77301  
1 1 1 -11 33  29 o 27.244  7.3681  448.306    222.653  478.453    470.977  439.630    252.671  29.113  10.969  26.944  8.0442  2.169170       13.60214  
1 1 1 -11 33  30 o 37.878  5.7100  842.156    226.979  812.869    497.404  849.859    255.086  34.007  11.430  37.649  6.4899  -3.641739      13.14394  
1 1 1 -11 33  31 o 12.564  3.0177  90.943     40.550   85.337     40.921   396.366    302.031  12.169  3.0969  24.898  8.8777  -12.72909      9.402318  
1 1 1 -11 33  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 34  1  o 370.235 6.3083  74359.32   2529.64  73619.59   2919.23  76589.18   5068.38  368.280 7.3185  374.814 12.485  -6.533844      14.47176  
1 1 1 -11 34  2  o 289.754 5.1270  45518.79   1609.02  46025.28   1856.24  43988.10   3226.93  291.309 5.8831  284.328 10.479  6.980682       12.01710  
1 1 1 -11 34  3  o 518.033 9.1117  145861.41  5112.43  134877.70  7929.58  153675.00  6688.06  496.686 14.740  531.120 11.626  -34.43372      18.77327  
1 1 1 -11 34  4  o 167.962 3.4498  15286.08   627.584  15465.40   886.461  15105.88   888.620  168.900 4.8457  166.922 4.9151  1.977341       6.902126  
1 1 1 -11 34  5  o 104.345 2.9424  5898.76    332.545  6012.11    469.095  5784.25    471.493  105.322 4.1122  103.305 4.2139  2.017273       5.887858  
1 1 1 -11 34  6  o 317.866 5.5172  54799.86   1899.48  54928.68   2685.63  54670.93   2686.91  318.001 7.7974  317.251 7.8195  0.7496643      11.04280  
1 1 1 -11 34  7  o 528.994 8.8076  152154.30  5046.39  151623.91  7136.04  152685.00  7137.30  527.001 12.502  528.856 12.460  -1.854858      17.65091  
1 1 1 -11 34  8  o 417.973 7.0277  94865.81   3181.49  97413.50   4499.00  92317.43   4499.61  423.005 9.8197  411.732 10.090  11.27347       14.07959  
1 1 1 -11 34  9  o 371.229 6.2529  74804.74   2514.18  73773.84   3554.76  75836.59   3556.41  368.223 8.9131  373.359 8.7946  -5.135437      12.52151  
1 1 1 -11 34  10 o 257.801 5.4085  36058.96   1510.19  34973.94   2616.25  36601.14   1849.41  253.400 9.5324  259.617 6.5770  -6.217026      11.58118  
1 1 1 -11 34  11 o 211.444 4.5751  24246.50   1047.77  22885.37   1281.48  26991.49   1819.83  205.338 5.7620  222.821 7.5406  -17.48303      9.490034  
1 1 1 -11 34  12 f 219.674 4.1467  26165.88   986.622  25078.95   1393.59  27258.12   1397.00  214.919 5.9868  224.083 5.7559  -9.164795      8.304948  
1 1 1 -11 34  13 o 57.563  3.2978  1801.81    204.750  1993.04    289.727  1611.01    289.394  60.455  4.4561  54.263  4.9796  6.192413       6.682296  
1 1 1 -11 34  14 o 199.327 4.0964  21546.57   884.377  22058.19   1331.97  21143.19   1182.69  201.510 6.1028  197.340 5.5333  4.169647       8.237826  
1 1 1 -11 34  15 o 129.635 3.1560  9109.29    443.127  9844.22    628.437  8382.53    624.931  134.710 4.3072  124.290 4.6422  10.41990       6.332623  
1 1 1 -11 34  16 o 133.488 3.2597  9660.53    471.291  9660.65    674.662  9660.42    658.639  133.411 4.6690  133.417 4.5579  -0.5447388E-02 6.524905  
1 1 1 -11 34  17 o 117.507 3.5645  7489.10    453.655  7269.85    808.465  7589.86    548.072  115.388 6.4953  118.254 4.2791  -2.865852      7.778131  
1 1 1 -11 34  18 o 32.864  7.0771  611.581    244.464  394.249    412.774  728.996    303.396  28.977  10.373  35.827  8.0187  -6.850119      13.11133  
1 1 1 -11 34  19 o 70.621  4.6694  2723.49    355.143  2451.31    536.457  2935.85    473.847  66.510  7.5825  73.139  6.0355  -6.629044      9.691325  
1 1 1 -11 34  20 o 134.666 4.4977  9869.24    656.018  0.0000     0.0000   9869.24    656.018  ?       ?       134.666 4.4977  0.000000       4.497684  
1 1 1 -11 34  21 o 115.210 4.2764  7230.23    533.629  0.0000     0.0000   7230.23    533.629  ?       ?       115.210 4.2764  0.000000       4.276390  
1 1 1 -11 34  22 o 99.774  3.5946  5419.35    388.456  4668.83    666.677  5805.14    477.979  91.771  6.7547  103.153 4.2782  -11.38204      7.995527  
1 1 1 -11 34  23 o 57.215  3.7784  1792.73    232.825  1766.40    454.277  1802.11    271.144  55.827  7.7194  57.251  4.4065  -1.424076      8.888555  
1 1 1 -11 34  24 o 122.101 3.2143  8123.16    425.090  8231.74    821.502  8083.45    496.768  121.741 6.2513  121.663 3.7698  0.7753754E-01  7.300007  
1 1 1 -11 34  25 o 90.078  3.3426  4428.60    326.116  4273.72    667.058  4477.24    373.837  87.032  7.1393  90.465  3.8153  -3.432472      8.094807  
1 1 1 -11 34  26 o 39.365  5.3577  874.131    222.498  1027.08    477.864  831.795    251.413  40.863  10.679  38.096  6.3142  2.766308       12.40566  
1 1 1 -11 34  27 o 42.735  1.9308  992.785    89.370   1019.12    96.110   824.512    242.936  43.288  2.0499  37.872  6.1321  5.415745       6.465701  
1 1 1 -11 34  28 o 56.879  3.9828  1793.86    243.812  2014.84    524.280  1732.88    275.404  57.993  8.6080  55.680  4.6081  2.312859       9.763878  
1 1 1 -11 34  29 o 75.022  3.6041  3107.09    292.859  2677.06    604.259  3239.11    334.809  66.370  8.6086  76.302  4.0659  -9.932434      9.520505  
1 1 1 -11 34  30 o 17.463  7.0931  105.419    209.794  -261.8863  468.148  197.720    234.679  19.256  9.0080  20.080  7.7000  -0.8243752     11.85047  
1 1 1 -11 34  31 o 33.519  7.5637  720.737    268.071  698.841    499.871  729.576    317.605  30.687  11.351  32.885  8.7598  -2.198042      14.33806  
1 1 1 -11 34  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 35  1  o 173.305 3.6191  16274.89   679.338  16275.14   794.018  16274.21   1312.26  173.287 4.2305  173.161 6.9968  0.1262054      8.176328  
1 1 1 -11 35  2  o 138.154 2.7897  10340.06   417.434  10665.53   537.344  9844.69    662.920  140.297 3.5362  134.765 4.5416  5.531662       5.755968  
1 1 1 -11 35  3  o 424.021 7.2350  97602.77   3322.74  91593.66   4698.04  103617.20  4700.10  410.200 10.574  436.423 9.9433  -26.22321      14.51497  
1 1 1 -11 35  4  o 212.296 4.2612  24428.46   979.814  23676.14   1481.62  25013.22   1306.23  208.879 6.5489  214.754 5.6158  -5.874725      8.627021  
1 1 1 -11 35  5  o 378.027 6.5733  77553.91   2691.38  77186.84   3805.58  77921.20   3806.78  376.729 9.3266  378.524 9.2853  -1.794922      13.16059  
1 1 1 -11 35  6  o 380.586 7.0766  78641.70   2917.08  79568.74   3826.71  77355.77   4507.01  382.481 9.2373  376.775 11.044  5.706177       14.39804  
1 1 1 -11 35  7  o 378.187 6.4376  77626.90   2636.92  76886.91   3728.47  78367.44   3729.88  375.955 9.1564  379.573 9.0725  -3.617859      12.88994  
1 1 1 -11 35  8  o 234.536 4.2383  29819.67   1076.65  29842.89   1521.71  29796.39   1523.53  234.508 5.9911  234.324 6.0029  0.1837006      8.481048  
1 1 1 -11 35  9  o 328.422 5.5639  58522.88   1979.16  60633.13   2798.60  56411.55   2799.32  333.997 7.7362  322.116 8.0236  11.88138       11.14571  
1 1 1 -11 35  10 o 338.359 6.7409  62182.59   2470.40  55176.69   4275.86  65692.92   3026.68  317.614 12.430  347.563 8.0401  -29.94913      14.80325  
1 1 1 -11 35  11 o 120.232 3.5028  7835.11    456.142  8391.49    556.789  6699.60    795.428  124.407 4.1322  110.859 6.6554  13.54822       7.833872  
1 1 1 -11 35  12 o 348.141 5.9577  65808.07   2246.48  62599.07   3173.32  69031.98   3180.68  339.061 8.6410  356.143 8.2457  -17.08237      11.94398  
1 1 1 -11 35  13 o 303.863 5.3110  50113.80   1747.94  49176.06   2469.38  51055.47   2474.54  300.662 7.5829  306.376 7.4571  -5.714172      10.63529  
1 1 1 -11 35  14 o 397.723 6.7515  85997.14   2908.37  83279.45   4112.64  88715.92   4113.47  390.578 9.7217  403.224 9.4187  -12.64569      13.53602  
1 1 1 -11 35  15 o 208.728 4.0274  23630.39   910.498  22621.85   1284.87  24647.67   1290.42  204.055 5.8136  213.021 5.5929  -8.966217      8.067114  
1 1 1 -11 35  16 o 267.869 4.8245  38954.29   1399.72  38053.16   1978.29  39857.63   1980.73  264.411 6.9078  270.637 6.7572  -6.225891      9.663210  
1 1 1 -11 35  17 o 164.080 3.4868  14602.10   619.656  14539.91   878.832  14663.58   873.841  163.602 4.9596  164.302 4.9104  -0.6993408     6.979253  
1 1 1 -11 35  18 o 124.863 3.1912  8456.42    431.576  8522.36    616.737  8393.13    604.140  125.249 4.5463  124.301 4.4874  0.9481812      6.387887  
1 1 1 -11 35  19 o 116.432 4.4003  7369.35    554.913  7522.74    805.280  7230.66    765.742  117.227 6.3662  114.959 6.1725  2.267525       8.867262  
1 1 1 -11 35  20 o 30.561  7.1496  532.607    232.449  0.0000     0.0000   532.607    232.449  ?       ?       30.561  7.1496  0.000000       7.149619  
1 1 1 -11 35  21 o 73.875  4.2453  2982.87    338.251  0.0000     0.0000   2982.87    338.251  ?       ?       73.875  4.2453  0.000000       4.245252  
1 1 1 -11 35  22 o 70.632  4.7846  2739.79    363.874  0.0000     0.0000   2739.79    363.874  ?       ?       70.632  4.7846  0.000000       4.784625  
1 1 1 -11 35  23 o 97.524  4.4617  5201.75    471.277  0.0000     0.0000   5201.75    471.277  ?       ?       97.524  4.4617  0.000000       4.461654  
1 1 1 -11 35  24 o 141.643 3.8883  10965.74   596.519  11461.16   1051.45  10730.60   724.378  143.478 6.7660  139.787 4.7844  3.691116       8.286716  
1 1 1 -11 35  25 o 63.755  2.6584  2212.45    183.574  2174.94    231.920  2275.38    300.392  63.020  3.4104  64.245  4.3425  -1.224949      5.521591  
1 1 1 -11 35  26 o 50.307  4.5107  1405.28    243.164  1325.55    518.708  1427.73    275.288  46.496  10.543  50.540  5.0987  -4.043854      11.71108  
1 1 1 -11 35  27 o 55.293  4.3930  1698.97    260.921  1945.85    521.656  1616.60    301.322  57.240  8.6870  53.635  5.2544  3.605232       10.15252  
1 1 1 -11 35  28 o 28.923  1.3208  453.984    41.376   461.746    41.993   195.745    242.209  29.168  1.3292  20.710  7.8507  8.458851       7.962436  
1 1 1 -11 35  29 o 57.151  4.0651  1822.17    249.991  1784.75    535.200  1832.61    282.730  53.214  9.6408  57.077  4.6128  -3.863129      10.68751  
1 1 1 -11 35  30 o 42.555  5.1542  1050.05    232.721  1093.22    508.881  1038.64    261.689  38.843  11.370  41.888  5.9340  -3.045441      12.82528  
1 1 1 -11 35  31 o 24.186  8.2426  373.385    258.706  721.612    489.437  238.368    304.761  31.036  11.271  21.628  8.6310  9.407923       14.19626  
1 1 1 -11 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 36  1  o 81.571  2.4032  3604.37    212.323  3583.32    235.073  3697.61    494.728  81.330  2.6686  82.382  5.5774  -1.052116      6.182927  
1 1 1 -11 36  2  o 319.149 5.3962  55236.52   1865.32  55281.16   2637.52  55191.83   2638.41  319.059 7.6323  318.800 7.6411  0.2588806      10.79991  
1 1 1 -11 36  3  o 406.003 6.9284  89474.06   3046.71  90501.29   4308.45  88446.61   4308.94  407.867 9.7529  403.189 9.8672  4.678131       13.87368  
1 1 1 -11 36  4  o 117.938 2.8220  7535.59    360.483  7231.60    508.207  7843.43    511.408  115.510 4.0621  120.301 3.9249  -4.790405      5.648479  
1 1 1 -11 36  5  o 319.512 5.6409  55374.71   1952.11  54833.16   2760.02  55916.81   2761.39  317.685 8.0213  320.818 7.9469  -3.133392      11.29136  
1 1 1 -11 36  6  o 535.795 9.6034  156220.41  5573.06  157254.50  7287.46  154763.59  8649.35  536.654 12.538  531.437 15.027  5.216980       19.57010  
1 1 1 -11 36  7  o 357.288 6.0758  69272.70   2351.20  67395.84   3324.04  71151.96   3326.15  352.035 8.7178  361.751 8.4891  -9.716034      12.16822  
1 1 1 -11 36  8  o 311.317 5.5548  52582.09   1873.03  52097.55   2648.20  53067.13   2649.51  309.592 7.8975  312.469 7.8287  -2.877533      11.12023  
1 1 1 -11 36  9  o 392.109 6.7416  83499.84   2863.13  84199.43   4048.46  82799.84   4049.69  393.199 9.5062  389.898 9.5896  3.300934       13.50291  
1 1 1 -11 36  10 o 258.702 5.3987  36314.67   1512.72  34777.70   2612.63  37089.79   1855.36  252.648 9.5475  261.328 6.5550  -8.680450      11.58117  
1 1 1 -11 36  11 o 266.958 5.5202  38677.32   1596.12  37904.32   1953.37  40230.27   2768.71  264.127 6.8281  271.712 9.4080  -7.584473      11.62473  
1 1 1 -11 36  12 o 60.971  3.2666  2020.55    214.933  1913.34    290.025  2151.17    320.122  59.219  4.5567  62.795  4.7417  -3.575748      6.576282  
1 1 1 -11 36  13 o 60.472  2.3790  1981.26    155.819  1721.98    296.570  2080.12    183.133  56.120  4.9291  61.958  2.7290  -5.837837      5.634088  
1 1 1 -11 36  14 o 428.935 7.2557  100096.00  3370.87  93603.12   4765.37  106598.50  4768.89  413.705 10.635  441.753 9.9671  -28.04810      14.57550  
1 1 1 -11 36  15 o 157.908 3.4366  13519.32   587.767  12659.20   827.158  14396.58   835.359  152.703 5.0012  162.866 4.7356  -10.16258      6.887477  
1 1 1 -11 36  16 o 81.252  2.7993  3578.32    246.348  3623.60    393.408  3549.11    315.964  81.589  4.4689  80.897  3.6061  0.6919785      5.742365  
1 1 1 -11 36  17 o 35.635  5.1715  704.336    193.770  885.252    281.616  541.677    267.029  39.766  6.7817  30.917  7.9344  8.848684       10.43776  
1 1 1 -11 36  18 o 104.330 3.1739  5904.28    358.654  5670.45    514.174  6125.87    500.528  102.149 4.6473  106.195 4.3517  -4.045425      6.366698  
1 1 1 -11 36  19 o 84.374  3.0951  3862.96    282.852  3897.30    409.204  3831.54    391.414  84.538  4.4851  83.840  4.3251  0.6978226      6.230810  
1 1 1 -11 36  20 o 148.271 3.3299  11941.14   534.758  11948.14   1073.86  11938.83   616.657  147.641 6.7153  148.183 3.8422  -0.5419159     7.736794  
1 1 1 -11 36  21 o 82.525  4.2951  3721.91    382.587  0.0000     0.0000   3721.91    382.587  ?       ?       82.525  4.2951  0.000000       4.295136  
1 1 1 -11 36  22 o 56.421  5.3654  1760.58    323.928  0.0000     0.0000   1760.58    323.928  ?       ?       56.421  5.3654  0.000000       5.365374  
1 1 1 -11 36  23 o 151.315 4.8527  12549.65   795.310  0.0000     0.0000   12549.65   795.310  ?       ?       151.315 4.8527  0.000000       4.852717  
1 1 1 -11 36  24 o 121.801 4.5535  8138.85    600.704  0.0000     0.0000   8138.85    600.704  ?       ?       121.801 4.5535  0.000000       4.553454  
1 1 1 -11 36  25 o 34.244  7.8609  688.215    285.393  0.0000     0.0000   688.215    285.393  ?       ?       34.244  7.8609  0.000000       7.860898  
1 1 1 -11 36  26 o 24.274  8.4327  314.753    271.223  0.0000     0.0000   314.753    271.223  ?       ?       24.274  8.4327  0.000000       8.432666  
1 1 1 -11 36  27 o 46.209  4.8095  1196.81    237.184  1130.07    482.293  1218.10    272.401  42.453  10.538  46.376  5.5323  -3.922329      11.90195  
1 1 1 -11 36  28 o 81.889  3.4855  3686.24    309.145  3395.91    619.575  3782.48    356.724  76.203  7.6084  82.765  3.9794  -6.561546      8.586261  
1 1 1 -11 36  29 o 59.382  2.4247  1927.68    155.949  2054.78    182.508  1583.79    300.198  61.226  2.7522  52.656  5.3375  8.570538       6.005240  
1 1 1 -11 36  30 o 8.7616  2.8669  40.838     31.347   265.986    469.924  39.832     31.417   24.644  10.365  8.6891  2.8714  15.95533       10.75542  
1 1 1 -11 36  31 o 3.2565  1.6463  -95.8630   28.233   -117.4839  472.220  -95.7854   28.283   20.034  9.2603  3.2627  1.6493  16.77146       9.406006  
1 1 1 -11 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 37  1  o 108.040 2.7770  6323.69    324.957  6172.94    370.731  6823.56    675.099  106.738 3.2068  112.165 5.5570  -5.427788      6.415885  
1 1 1 -11 37  2  o 299.567 6.2014  48690.49   2012.11  46828.66   2845.31  50552.98   2845.80  293.485 8.9510  304.976 8.6153  -11.49118      12.42353  
1 1 1 -11 37  3  o 313.644 5.9514  53367.29   2021.73  52852.14   2660.64  54071.13   3109.97  311.921 7.8754  315.335 9.1057  -3.413849      12.03892  
1 1 1 -11 37  4  o 272.675 4.8979  40314.14   1446.53  39384.64   2044.71  41245.45   2046.70  269.342 7.0090  275.646 6.8554  -6.304199      9.804243  
1 1 1 -11 37  5  o 382.022 6.6189  79215.23   2738.71  80297.48   3872.71  78132.53   3873.52  384.194 9.3067  378.956 9.4373  5.238708       13.25430  
1 1 1 -11 37  6  o 235.365 4.6391  30035.36   1182.62  29901.32   1568.68  30211.86   1800.03  234.734 6.1700  235.876 7.0457  -1.141800      9.365445  
1 1 1 -11 37  7  o 90.507  2.6991  4437.95    264.590  4438.40    373.254  4437.49    375.127  90.492  3.8082  90.483  3.8277  0.9712219E-02  5.399453  
1 1 1 -11 37  8  o 237.854 4.3293  30672.82   1115.32  30979.98   1577.28  30365.65   1577.32  238.908 6.0955  236.522 6.1571  2.386017       8.663993  
1 1 1 -11 37  9  o 314.053 5.4302  53513.79   1847.10  52013.20   2610.66  55017.92   2613.74  309.311 7.7927  318.152 7.5850  -8.841125      10.87466  
1 1 1 -11 37  10 o 64.385  3.6826  2254.33    255.743  2336.40    419.469  2205.77    322.645  65.331  5.9949  63.598  4.7175  1.732395       7.628518  
1 1 1 -11 37  11 o 52.324  2.0608  1483.11    116.789  1202.42    251.662  1560.16    131.846  46.808  5.0436  53.664  2.2684  -6.856392      5.530253  
1 1 1 -11 37  12 o 218.262 4.3702  25836.13   1033.12  25086.02   1371.28  26820.80   1571.13  214.943 5.8902  222.184 6.5287  -7.240814      8.793153  
1 1 1 -11 37  13 o 153.339 3.3103  12744.77   549.782  13588.02   771.726  11875.75   783.425  158.270 4.5019  147.941 4.8892  10.32957       6.646152  
1 1 1 -11 37  14 o 231.358 4.3305  29036.44   1085.15  26721.57   1530.93  31373.82   1538.36  221.726 6.3748  240.315 5.9103  -18.58891      8.693102  
1 1 1 -11 37  15 o 136.634 3.3292  10121.39   492.684  9896.58    689.666  10355.70   704.080  135.032 4.7155  138.129 4.7062  -3.097260      6.662153  
1 1 1 -11 37  16 o 145.287 3.3073  11445.56   520.444  11515.54   733.075  11374.46   739.000  145.641 4.6472  144.741 4.7139  0.9000397      6.619504  
1 1 1 -11 37  17 o 176.826 3.6505  16963.83   699.143  16605.03   990.593  17319.96   986.892  174.779 5.2328  178.518 5.1041  -3.739075      7.309850  
1 1 1 -11 37  18 o 249.739 4.5474  33895.12   1230.05  32806.10   1738.42  34986.98   1740.69  245.234 6.5449  253.309 6.3446  -8.075455      9.115344  
1 1 1 -11 37  19 o 95.209  3.0774  4919.27    317.341  4956.89    449.979  4882.04    447.605  95.472  4.3516  94.748  4.3617  0.7244949      6.161200  
1 1 1 -11 37  20 o 87.550  2.7671  4160.10    262.397  4267.78    579.723  4132.35    294.266  88.099  6.1133  87.232  3.1145  0.8664703      6.860962  
1 1 1 -11 37  21 o 147.438 3.4024  11822.33   543.324  11360.09   1190.43  11943.95   610.635  143.084 7.7099  148.115 3.8064  -5.031631      8.598332  
1 1 1 -11 37  22 o 38.040  4.8529  804.301    195.389  1068.19    388.954  715.233    225.970  42.986  8.6535  35.573  6.0836  7.413864       10.57796  
1 1 1 -11 37  23 o 89.849  3.7609  4404.79    365.995  0.0000     0.0000   4404.79    365.995  ?       ?       89.849  3.7609  0.000000       3.760883  
1 1 1 -11 37  24 f 58.228  5.3375  1884.31    332.871  0.0000     0.0000   1884.31    332.871  ?       ?       58.228  5.3375  0.000000       5.337496  
1 1 1 -11 37  25 o 46.221  6.2936  1211.41    306.880  0.0000     0.0000   1211.41    306.880  ?       ?       46.221  6.2936  0.000000       6.293613  
1 1 1 -11 37  26 o 55.528  5.5241  1732.17    327.824  0.0000     0.0000   1732.17    327.824  ?       ?       55.528  5.5241  0.000000       5.524096  
1 1 1 -11 37  27 o 19.871  8.0450  122.422    268.944  0.0000     0.0000   122.422    268.944  ?       ?       19.871  8.0450  0.000000       8.045019  
1 1 1 -11 37  28 o 27.711  8.6606  460.264    288.551  0.0000     0.0000   460.264    288.551  ?       ?       27.711  8.6606  0.000000       8.660600  
1 1 1 -11 37  29 o 70.278  2.3710  2700.00    180.474  2525.01    282.654  2820.43    234.496  67.326  3.8928  71.619  3.0230  -4.292305      4.928699  
1 1 1 -11 37  30 o 41.393  5.6550  1012.51    246.899  1290.23    504.065  924.841    283.198  42.382  10.915  38.698  7.0149  3.683952       12.97453  
1 1 1 -11 37  31 o 36.761  7.7870  874.837    300.399  199.402    511.943  1229.52    370.980  23.719  10.401  43.405  8.1915  -19.68534      13.23931  
1 1 1 -11 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 38  1  o 103.615 2.6100  5816.15    292.910  5855.36    377.288  5756.68    464.719  103.952 3.3510  103.057 4.1634  0.8955002      5.344389  
1 1 1 -11 38  2  o 71.160  2.5795  2743.17    198.810  2916.56    279.126  2564.64    283.240  73.363  3.5128  68.685  3.8225  4.678711       5.191445  
1 1 1 -11 38  3  o 197.288 4.0352  21096.14   862.249  21034.48   1297.43  21144.92   1153.95  196.894 6.0839  197.451 5.3958  -0.5561676     8.131947  
1 1 1 -11 38  4  o 216.055 4.6357  25308.02   1084.81  25816.73   1533.93  24799.01   1534.38  218.098 6.4936  213.746 6.6277  4.351837       9.278643  
1 1 1 -11 38  5  o 319.777 5.4952  55468.03   1903.29  54955.11   2690.90  55981.52   2692.41  318.031 7.8119  320.996 7.7441  -2.965332      10.99986  
1 1 1 -11 38  6  o 78.657  2.4163  3351.66    205.855  3296.42    318.673  3391.23    269.671  77.988  3.7727  79.111  3.1472  -1.123268      4.913057  
1 1 1 -11 38  7  o 201.208 4.1028  21946.58   894.117  21968.06   1348.04  21929.71   1194.74  201.178 6.1866  201.052 5.4865  0.1269073      8.268950  
1 1 1 -11 38  8  f 123.916 3.0207  8320.29    405.413  9133.26    576.867  7526.89    569.878  129.797 4.1034  117.820 4.4657  11.97739       6.064685  
1 1 1 -11 38  9  o 304.598 5.7323  50353.76   1891.15  50680.69   2490.73  49908.73   2906.02  305.346 7.5312  302.795 8.8609  2.550781       11.62907  
1 1 1 -11 38  10 o 181.006 4.1288  17763.94   809.448  15119.53   1384.74  19136.53   997.644  166.751 7.6671  187.824 4.9040  -21.07291      9.101320  
1 1 1 -11 38  11 o 360.235 6.1263  70469.58   2390.32  66866.84   3377.85  74083.34   3383.01  350.373 8.9010  368.897 8.4670  -18.52353      12.28485  
1 1 1 -11 38  12 o 199.932 3.8877  21672.79   841.876  21439.33   1185.62  21910.20   1195.62  198.735 5.5081  200.907 5.4945  -2.171661      7.780034  
1 1 1 -11 38  13 o 353.342 6.0206  67818.45   2304.12  64310.22   3254.11  71345.74   3262.94  343.504 8.7464  361.915 8.3240  -18.41077      12.07431  
1 1 1 -11 38  14 o 203.100 4.1700  22374.86   917.318  21842.70   1220.69  23065.28   1390.39  200.538 5.6200  206.005 6.2314  -5.466690      8.391388  
1 1 1 -11 38  15 o 429.710 7.2337  100536.50  3366.71  95197.83   4759.73  105882.10  4762.77  416.892 10.541  439.915 9.9959  -23.02310      14.52698  
1 1 1 -11 38  16 o 246.739 4.5228  33051.05   1208.69  30665.83   1709.30  35436.52   1709.39  237.331 6.6496  255.216 6.1839  -17.88512      9.080616  
1 1 1 -11 38  17 o 163.709 3.4656  14539.01   614.496  14007.05   866.343  15077.62   871.740  160.539 4.9824  166.579 4.8317  -6.039780      6.940425  
1 1 1 -11 38  18 f 89.817  3.0872  4376.26    300.331  4923.38    424.706  3829.00    424.758  95.203  4.1188  83.789  4.6994  11.41383       6.248895  
1 1 1 -11 38  19 f 86.545  3.1088  4065.41    291.408  4141.88    413.612  3990.03    410.630  87.148  4.3961  85.524  4.4483  1.623802       6.254061  
1 1 1 -11 38  20 o 105.861 3.5009  6091.43    401.403  6223.79    690.053  6023.74    493.485  106.459 6.0091  105.168 4.3323  1.290817       7.408005  
1 1 1 -11 38  21 o 226.176 4.2530  27895.61   1041.87  27955.87   2077.62  27875.37   1204.23  224.078 8.5605  225.830 4.9233  -1.751877      9.875260  
1 1 1 -11 38  22 o 157.550 3.4675  13516.99   591.711  13001.69   1173.86  13692.53   685.120  153.188 7.0749  158.428 3.9927  -5.239487      8.123753  
1 1 1 -11 38  23 o 154.155 3.4178  12951.88   570.660  12189.15   1138.36  13207.89   659.513  147.991 7.1019  155.516 3.9154  -7.525696      8.109735  
1 1 1 -11 38  24 o 51.612  4.2855  1469.51    237.397  1328.54    466.516  1518.77    275.773  47.461  9.4078  52.325  4.9239  -4.864349      10.61843  
1 1 1 -11 38  25 o 54.267  2.4834  1602.53    145.970  0.0000     0.0000   1602.53    145.970  ?       ?       54.267  2.4834  0.000000       2.483448  
1 1 1 -11 38  26 o 46.708  6.2721  1244.41    309.285  0.0000     0.0000   1244.41    309.285  ?       ?       46.708  6.2721  0.000000       6.272113  
1 1 1 -11 38  27 o 45.740  6.4144  1204.92    309.042  0.0000     0.0000   1204.92    309.042  ?       ?       45.740  6.4144  0.000000       6.414416  
1 1 1 -11 38  28 o 29.791  8.5169  542.401    288.600  0.0000     0.0000   542.401    288.600  ?       ?       29.791  8.5169  0.000000       8.516913  
1 1 1 -11 38  29 o 53.322  5.9996  1654.74    340.480  0.0000     0.0000   1654.74    340.480  ?       ?       53.322  5.9996  0.000000       5.999636  
1 1 1 -11 38  30 o 29.493  8.8887  580.739    307.433  0.0000     0.0000   580.739    307.433  ?       ?       29.493  8.8887  0.000000       8.888684  
1 1 1 -11 38  31 o 26.311  11.369  373.587    593.079  0.0000     0.0000   373.587    593.079  ?       ?       26.311  11.369  0.000000       11.36916  
1 1 1 -11 38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 39  1  o 443.950 7.7115  107066.60  3708.04  108596.40  5244.21  105537.20  5243.70  446.435 10.846  440.064 11.002  6.371948       15.44859  
1 1 1 -11 39  2  o 21.429  4.1952  257.559    93.884   122.837    133.964  387.593    131.612  16.446  5.9073  26.329  4.7918  -9.882990      7.606373  
1 1 1 -11 39  3  o 142.912 3.0585  11066.08   473.423  10772.04   668.282  11362.32   670.768  140.964 4.3770  144.778 4.2776  -3.813995      6.120157  
1 1 1 -11 39  4  o 139.416 3.2521  10532.05   491.066  10277.63   673.436  10820.93   717.611  137.685 4.5159  141.271 4.6899  -3.586121      6.510640  
1 1 1 -11 39  5  o 410.358 7.1312  91455.45   3169.56  89021.32   4481.55  93891.49   4483.31  404.248 10.236  415.221 9.9689  -10.97324      14.28796  
1 1 1 -11 39  6  o 329.377 6.1381  58882.74   2189.77  59086.48   2879.66  58603.41   3371.87  329.682 8.0645  328.091 9.4887  1.590576       12.45275  
1 1 1 -11 39  7  o 166.193 3.5663  14969.32   641.941  15314.86   869.240  14554.77   952.091  168.048 4.7757  163.795 5.3667  4.253174       7.183908  
1 1 1 -11 39  8  o 170.059 3.6505  15675.08   672.388  15992.50   907.409  15288.57   1001.31  171.715 4.8789  167.858 5.5075  3.856659       7.357774  
1 1 1 -11 39  9  o 328.918 5.7401  58718.05   2044.92  58848.07   2891.13  58587.89   2892.78  328.920 8.1154  328.188 8.1381  0.7319946      11.49294  
1 1 1 -11 39  10 o 384.287 9.3085  80462.04   3874.42  78236.99   5476.79  82691.10   5481.73  377.717 13.387  388.447 13.029  -10.73071      18.68089  
1 1 1 -11 39  11 o 269.985 4.7982  39542.50   1403.10  36781.37   1980.17  42326.67   1988.41  260.133 7.0281  279.118 6.5773  -18.98477      9.625736  
1 1 1 -11 39  12 o 198.086 3.8533  21274.29   826.727  20907.44   1166.12  21645.01   1172.24  196.253 5.4860  199.690 5.4199  -3.437347      7.711784  
1 1 1 -11 39  13 o 87.812  3.1076  4179.39    295.565  4163.86    411.342  4195.96    424.976  87.615  4.3347  87.833  4.4821  -0.2182312     6.235307  
1 1 1 -11 39  14 o 70.734  3.2707  2712.33    250.574  3010.61    355.408  2417.52    353.332  74.358  4.4331  66.553  4.9368  7.804581       6.635130  
1 1 1 -11 39  15 o 174.559 3.5471  16523.62   670.633  16689.88   944.467  16354.55   952.419  175.322 4.9737  173.543 5.0670  1.778839       7.100162  
1 1 1 -11 39  16 o 97.916  3.0722  5198.33    325.821  5370.82    456.212  5018.75    465.488  99.475  4.2343  96.147  4.4700  3.327911       6.157113  
1 1 1 -11 39  17 o 63.350  2.5594  2175.54    175.609  1912.05    333.821  2276.36    206.490  59.063  5.2738  64.791  2.9425  -5.728199      6.039116  
1 1 1 -11 39  18 o 149.734 3.3365  12167.83   541.106  11573.87   762.695  12769.77   767.808  145.863 4.8276  153.242 4.6260  -7.378662      6.686239  
1 1 1 -11 39  19 o 223.289 4.4748  27133.64   1082.20  25714.08   1644.70  28217.53   1437.14  216.598 7.0107  227.314 5.8372  -10.71582      9.122634  
1 1 1 -11 39  20 f 76.283  2.6275  3158.26    217.094  3384.38    269.922  2744.04    365.329  78.928  3.1575  70.765  4.7947  8.162888       5.740997  
1 1 1 -11 39  21 o 249.832 4.6312  34089.81   1253.18  32868.62   2497.56  34500.71   1448.75  242.030 9.5275  250.989 5.3293  -8.959213      10.91668  
1 1 1 -11 39  22 o 140.586 3.4046  10761.94   518.414  10024.14   996.953  11035.38   606.924  134.399 6.8717  142.230 3.9398  -7.830429      7.920976  
1 1 1 -11 39  23 f 63.941  3.6538  2238.03    251.991  2390.45    472.194  2177.35    297.968  65.267  6.7786  62.913  4.4005  2.353519       8.081720  
1 1 1 -11 39  24 o 33.462  1.4209  607.192    51.498   672.552    73.974   545.728    71.736   35.142  1.9512  31.628  2.1061  3.513924       2.871037  
1 1 1 -11 39  25 o 33.716  6.4775  655.795    227.945  462.422    427.416  732.654    269.464  29.452  10.554  35.451  7.2621  -5.998842      12.81154  
1 1 1 -11 39  26 o 74.939  3.5323  3077.84    286.701  3135.74    566.725  3057.93    332.369  73.993  7.1610  74.422  4.1397  -0.4285507     8.271492  
1 1 1 -11 39  27 o 42.495  6.8581  1051.89    304.905  0.0000     0.0000   1051.89    304.905  ?       ?       42.495  6.8581  0.000000       6.858062  
1 1 1 -11 39  28 f 26.346  8.6568  410.091    285.706  0.0000     0.0000   410.091    285.706  ?       ?       26.346  8.6568  0.000000       8.656775  
1 1 1 -11 39  29 o 39.632  7.6300  965.891    315.634  0.0000     0.0000   965.891    315.634  ?       ?       39.632  7.6300  0.000000       7.629980  
1 1 1 -11 39  30 o 41.838  7.4395  1098.09    324.769  0.0000     0.0000   1098.09    324.769  ?       ?       41.838  7.4395  0.000000       7.439482  
1 1 1 -11 39  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 40  1  o 290.797 5.5667  45872.14   1753.30  45575.57   2311.98  46273.54   2689.75  289.672 7.3690  291.738 8.5123  -2.066284      11.25885  
1 1 1 -11 40  2  o 155.073 3.3200  13030.82   557.631  12964.79   787.924  13097.07   789.296  154.632 4.7045  155.420 4.6888  -0.7875061     6.642086  
1 1 1 -11 40  3  o 59.857  2.6686  1941.10    173.009  1841.74    243.703  2042.05    245.652  58.162  3.8910  61.270  3.7193  -3.107796      5.382651  
1 1 1 -11 40  4  o 117.249 2.9407  7448.51    373.449  7677.99    526.705  7216.51    529.579  119.014 4.0860  115.378 4.2378  3.636177       5.886784  
1 1 1 -11 40  5  o 147.610 3.3004  11807.30   527.654  12835.70   745.075  10772.58   747.360  153.864 4.4709  140.940 4.8958  12.92317       6.630066  
1 1 1 -11 40  6  o 30.776  1.4408  512.993    48.025   456.688    170.031  517.875    50.064   28.507  5.7059  30.922  1.4948  -2.414219      5.898477  
1 1 1 -11 40  7  o 209.340 4.1905  23758.60   950.128  23808.42   1267.26  23694.66   1435.85  209.470 5.5856  208.909 6.3457  0.5602722      8.453852  
1 1 1 -11 40  8  o 160.124 3.4912  13896.24   605.489  14102.28   821.532  13651.23   895.869  161.254 4.7038  158.628 5.2143  2.626007       7.022396  
1 1 1 -11 40  9  o 147.467 3.2914  11785.63   525.703  12196.88   743.309  11374.04   743.603  149.966 4.5762  144.812 4.7410  5.154556       6.589278  
1 1 1 -11 40  10 f 263.366 7.8067  37727.88   2226.88  37813.23   2722.01  37555.13   3872.33  263.380 9.5419  261.223 13.735  2.156799       16.72394  
1 1 1 -11 40  11 o 446.218 7.4401  108282.00  3595.80  99824.34   5082.62  116757.10  5087.84  427.384 10.980  462.516 10.156  -35.13156      14.95692  
1 1 1 -11 40  12 o 208.382 3.9999  23546.44   902.776  22844.51   1267.78  24268.51   1285.85  205.114 5.7066  211.419 5.6153  -6.305115      8.006075  
1 1 1 -11 40  13 o 229.848 4.3752  28659.13   1089.21  28219.55   1443.75  29239.86   1659.43  227.925 5.8483  231.911 6.6064  -3.986282      8.823125  
1 1 1 -11 40  14 o 179.623 3.6443  17495.77   709.003  16674.55   992.113  18352.94   1013.59  175.235 5.2272  183.856 5.0900  -8.620590      7.296002  
1 1 1 -11 40  15 o 192.019 3.7883  19999.73   787.887  18617.20   1113.65  21385.22   1114.83  185.092 5.5551  198.419 5.1875  -13.32693      7.600567  
1 1 1 -11 40  16 o 19.463  6.8070  182.681    176.871  281.411    251.043  85.370     249.234  23.719  8.1194  19.174  7.7509  4.545513       11.22508  
1 1 1 -11 40  17 o 125.925 3.2249  8601.84    439.838  8282.89    624.394  8916.01    619.682  123.455 4.6696  128.105 4.4661  -4.650536      6.461540  
1 1 1 -11 40  18 o 107.468 3.0821  6266.80    358.752  6186.25    499.043  6352.95    516.091  106.674 4.3192  108.094 4.4082  -1.419090      6.171516  
1 1 1 -11 40  19 o 101.722 3.0563  5617.33    336.730  5655.51    475.536  5578.94    476.883  101.944 4.3068  101.247 4.3487  0.6973343      6.120419  
1 1 1 -11 40  20 o 86.731  3.1017  4086.87    291.371  3958.87    412.592  4214.22    411.531  85.095  4.4925  87.938  4.3207  -2.843346      6.233091  
1 1 1 -11 40  21 o 77.908  3.3029  3301.89    278.711  2746.24    526.620  3518.09    328.488  70.170  7.0234  80.363  3.7739  -10.19306      7.973096  
1 1 1 -11 40  22 f 78.641  3.2790  3366.69    279.293  3236.22    531.502  3416.46    328.268  76.266  6.4962  79.145  3.8294  -2.879410      7.540923  
1 1 1 -11 40  23 o 107.087 3.0828  6245.21    357.566  6456.14    644.448  6151.39    429.789  108.081 5.5236  106.140 3.7386  1.941170       6.669861  
1 1 1 -11 40  24 o 27.973  6.8987  454.374    207.703  865.059    413.546  315.829    240.196  37.999  9.9357  24.051  7.9391  13.94844       12.71803  
1 1 1 -11 40  25 o 21.547  7.3660  245.767    206.611  700.923    408.604  89.414     239.483  34.158  10.237  18.574  7.5652  15.58431       12.72882  
1 1 1 -11 40  26 o 54.019  4.2537  1617.85    246.865  1753.43    487.033  1570.97    286.380  54.468  8.5361  52.975  5.0524  1.492527       9.919206  
1 1 1 -11 40  27 o 40.989  5.2966  953.260    229.642  999.684    463.204  938.131    264.426  39.734  10.576  40.307  6.2601  -0.5729942     12.29018  
1 1 1 -11 40  28 o 49.276  2.3651  1325.44    126.231  1320.08    141.163  1346.83    282.001  49.054  2.6669  48.589  5.4526  0.4654732      6.069907  
1 1 1 -11 40  29 f 64.738  3.9480  2347.24    275.500  2295.76    551.289  2364.38    318.065  60.442  8.6694  64.613  4.5745  -4.170731      9.802236  
1 1 1 -11 40  30 o 26.473  1.5988  383.312    45.626   0.0000     0.0000   383.312    45.626   ?       ?       26.473  1.5988  0.000000       1.598761  
1 1 1 -11 40  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 41  1  o 154.924 3.3951  13006.46   569.693  12403.99   805.558  13609.26   805.777  151.239 4.9177  158.426 4.6959  -7.187027      6.799665  
1 1 1 -11 41  2  o 140.481 3.1288  10693.47   476.067  11158.29   655.583  10174.91   692.450  143.469 4.2189  136.986 4.6670  6.483292       6.291300  
1 1 1 -11 41  3  o 102.925 2.7827  5739.57    310.212  5572.91    437.270  5908.44    440.155  101.396 3.9816  104.406 3.8923  -3.009895      5.568063  
1 1 1 -11 41  4  o 340.066 5.9395  62757.31   2187.68  63245.88   3093.29  62268.38   3094.41  341.039 8.3743  338.382 8.4431  2.657227       11.89176  
1 1 1 -11 41  5  o 213.671 4.1340  24750.08   956.717  24707.80   1352.07  24792.47   1353.93  213.379 5.8503  213.744 5.8483  -0.3654480     8.272198  
1 1 1 -11 41  6  o 195.350 4.0499  20687.44   856.894  20234.99   1145.12  21263.18   1291.75  193.121 5.4746  197.928 6.0256  -4.806946      8.141212  
1 1 1 -11 41  7  o 361.259 6.7396  70883.91   2637.09  70725.48   3462.25  71102.83   4069.79  360.470 8.8678  361.087 10.406  -0.6170959     13.67210  
1 1 1 -11 41  8  o 364.683 6.2788  72212.93   2480.06  72419.67   3506.48  72005.98   3508.20  364.725 8.8764  363.676 8.9063  1.049683       12.57430  
1 1 1 -11 41  9  o 294.387 5.2111  47022.00   1661.56  48391.27   2349.60  45652.26   2350.00  298.375 7.2704  289.776 7.4875  8.599518       10.43654  
1 1 1 -11 41  10 o 103.476 4.2067  5806.10    471.472  5877.79    657.295  5730.14    676.649  103.885 5.8657  102.541 6.1204  1.343613       8.477343  
1 1 1 -11 41  11 o 90.709  2.7215  4458.55    267.379  4043.69    398.375  4798.63    360.691  86.350  4.2595  94.087  3.5395  -7.736282      5.538136  
1 1 1 -11 41  12 o 159.441 3.4147  13780.57   589.685  13398.25   798.344  14239.59   874.765  157.146 4.6905  161.986 4.9859  -4.839478      6.845422  
1 1 1 -11 41  13 o 369.384 6.2989  74163.91   2520.07  70224.11   3561.34  78115.18   3566.51  358.705 9.1666  378.467 8.7005  -19.76239      12.63824  
1 1 1 -11 41  14 o 114.022 3.0831  7047.45    380.748  6681.82    528.096  7443.27    549.458  110.969 4.3938  117.125 4.3313  -6.155632      6.169701  
1 1 1 -11 41  15 o 117.740 3.1437  7516.16    400.900  7364.41    561.110  7674.40    572.993  116.478 4.4477  118.904 4.4492  -2.426140      6.291052  
1 1 1 -11 41  16 o 202.920 3.9733  22348.02   873.254  21544.36   1231.96  23159.59   1238.00  199.005 5.7156  206.359 5.5390  -7.353485      7.959143  
1 1 1 -11 41  17 o 177.622 3.5898  17123.38   690.606  16656.06   973.527  17596.77   979.834  174.980 5.1368  179.870 5.0295  -4.890137      7.189033  
1 1 1 -11 41  18 o 15.003  6.2279  29.338     166.388  248.665    243.225  -163.5910  228.118  22.671  7.9791  14.221  6.5234  8.450208       10.30633  
1 1 1 -11 41  19 o 111.813 3.1234  6789.03    378.263  6847.46    533.291  6729.86    536.615  112.144 4.3905  111.168 4.4567  0.9762726      6.256113  
1 1 1 -11 41  20 o 44.606  4.3001  1094.46    205.180  1251.25    318.391  983.105    268.326  47.320  6.3744  41.913  6.0889  5.407425       8.815176  
1 1 1 -11 41  21 o 35.928  5.4155  723.030    204.195  189.221    369.761  957.251    244.930  24.045  9.5348  41.403  5.6059  -17.35865      11.06065  
1 1 1 -11 41  22 o 79.025  3.2920  3400.47    281.772  3653.49    534.627  3303.15    331.559  81.152  6.1276  77.694  3.9531  3.457924       7.292117  
1 1 1 -11 41  23 o 56.133  3.9631  1730.96    239.399  1978.71    471.887  1645.10    277.803  59.002  7.5578  54.545  4.7497  4.457333       8.926414  
1 1 1 -11 41  24 o 32.341  6.2001  599.850    209.280  678.175    415.740  573.266    242.206  33.886  10.364  31.362  7.2718  2.524094       12.66039  
1 1 1 -11 41  25 o 52.293  1.8627  1485.31    105.504  1426.75    156.552  1534.04    142.804  51.074  2.8412  53.083  2.4838  -2.008648      3.773840  
1 1 1 -11 41  26 o 70.491  3.6430  2734.25    277.191  2505.00    546.833  2813.52    321.565  65.610  7.8510  71.331  4.1804  -5.721146      8.894610  
1 1 1 -11 41  27 o 62.927  3.8895  2190.24    263.797  1851.22    523.029  2305.90    305.501  55.368  9.0330  64.385  4.4074  -9.016289      10.05091  
1 1 1 -11 41  28 o 18.158  7.2390  118.962    214.188  -28.5989   433.647  166.577    246.332  21.331  9.4537  19.989  7.8272  1.341873       12.27344  
1 1 1 -11 41  29 o 29.504  7.2765  541.681    231.071  600.670    463.371  522.157    266.583  30.061  10.959  28.618  8.1870  1.442780       13.67967  
1 1 1 -11 41  30 o 23.680  7.7698  352.237    230.189  177.161    465.241  408.989    264.882  23.144  10.035  25.219  8.3377  -2.074289      13.04690  
1 1 1 -11 41  31 o 37.372  12.738  1211.88    617.865  0.0000     0.0000   1211.88    617.865  ?       ?       37.372  12.738  0.000000       12.73817  
1 1 1 -11 41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 41  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 42  1  o 181.351 3.6723  17824.77   721.315  17677.16   1020.09  17972.37   1020.10  180.526 5.2171  182.029 5.1741  -1.503540      7.347699  
1 1 1 -11 42  2  o 23.255  4.1630  302.067    101.004  281.182    145.675  321.403    140.166  22.368  5.9204  23.864  5.5309  -1.495859      8.101922  
1 1 1 -11 42  3  o 283.444 5.4149  43584.24   1662.36  43652.32   2193.20  43492.32   2548.48  283.483 7.1430  282.811 8.3198  0.6721497      10.96548  
1 1 1 -11 42  4  o 174.247 3.6981  16456.15   697.937  16242.39   1039.67  16631.51   941.661  173.023 5.5478  175.115 4.9648  -2.092560      7.444940  
1 1 1 -11 42  5  o 355.541 6.2271  68621.14   2397.97  69120.36   3390.48  68121.47   3392.01  356.411 8.7829  353.813 8.8514  2.597839       12.46949  
1 1 1 -11 42  6  o 93.132  2.6384  4699.24    266.141  4652.84    388.778  4740.17    365.097  92.647  3.8744  93.518  3.6045  -0.8714218     5.291776  
1 1 1 -11 42  7  o 248.483 4.7690  33487.57   1283.51  34066.56   1699.65  32719.25   1957.94  250.486 6.2648  245.362 7.3675  5.124283       9.670986  
1 1 1 -11 42  8  o 438.214 7.3679  104380.50  3497.03  105204.90  4944.81  103555.60  4946.29  439.138 10.396  435.656 10.483  3.482452       14.76367  
1 1 1 -11 42  9  o 377.425 6.3304  77364.88   2587.80  77102.38   3658.97  77627.59   3660.43  376.241 8.9789  377.527 8.9519  -1.285767      12.67896  
1 1 1 -11 42  10 o 121.536 3.4529  8006.36    454.528  7690.18    550.323  8684.96    806.223  119.084 4.2667  126.474 5.8855  -7.390228      7.269404  
1 1 1 -11 42  11 o 203.040 3.9197  22353.07   861.985  22046.29   1216.37  22662.54   1221.71  201.516 5.5730  204.318 5.5207  -2.801743      7.844460  
1 1 1 -11 42  12 o 344.329 5.9665  64406.23   2225.18  61541.65   3145.27  67276.70   3148.50  336.016 8.6423  351.419 8.2719  -15.40295      11.96303  
1 1 1 -11 42  13 o 193.877 3.8130  20384.38   800.697  18952.94   1125.13  21853.20   1139.72  186.800 5.5610  200.616 5.2452  -13.81656      7.644448  
1 1 1 -11 42  14 o 98.603  2.9339  5270.05    313.336  5129.41    465.748  5386.35    423.506  97.222  4.4230  99.649  3.9239  -2.427071      5.912654  
1 1 1 -11 42  15 o 274.430 4.9045  40905.84   1457.79  39226.61   2059.25  42592.85   2064.01  268.309 7.0860  279.649 6.8144  -11.33997      9.830983  
1 1 1 -11 42  16 o 330.891 5.6910  59576.82   2039.58  54751.42   2879.82  64433.00   2889.00  316.322 8.4056  343.410 7.7672  -27.08801      11.44477  
1 1 1 -11 42  17 o 253.346 4.8344  34908.38   1326.57  32611.99   2021.10  36646.47   1758.33  244.090 7.6448  259.201 6.2632  -15.11131      9.882852  
1 1 1 -11 42  18 o 124.405 3.1548  8400.77    425.086  7964.32    598.085  8846.31    604.288  120.977 4.5645  127.525 4.3750  -6.547844      6.322567  
1 1 1 -11 42  19 o 50.112  3.8301  1373.77    206.310  1632.85    296.002  1129.00    287.707  54.470  5.0757  45.023  6.0532  9.447029       7.899621  
1 1 1 -11 42  20 o 46.156  2.0533  1155.51    102.649  1170.09    110.982  1069.21    269.998  46.440  2.2064  43.786  5.8387  2.654499       6.241677  
1 1 1 -11 42  21 o 94.986  3.1708  4907.81    326.206  5080.88    625.951  4843.28    382.209  95.903  6.0573  94.277  3.7430  1.625755       7.120452  
1 1 1 -11 42  22 o 129.555 3.3071  9141.61    464.056  9187.09    942.722  9127.07    533.119  128.538 6.7956  129.333 3.8058  -0.7940369     7.788707  
1 1 1 -11 42  23 o 20.185  1.7243  222.651    37.335   220.363    37.823   309.582    233.124  20.076  1.7571  23.840  7.8190  -3.763170      8.014035  
1 1 1 -11 42  24 o 32.580  6.1559  608.763    209.267  501.833    417.224  644.706    241.895  30.213  10.461  33.350  6.9233  -3.137220      12.54450  
1 1 1 -11 42  25 o 22.613  7.3710  283.575    207.293  356.359    409.839  258.554    240.296  27.160  10.232  22.414  7.9264  4.746239       12.94303  
1 1 1 -11 42  26 o 24.133  7.4291  336.407    213.232  82.349     422.228  423.385    247.051  22.907  9.7389  26.801  7.9436  -3.894070      12.56765  
1 1 1 -11 42  27 o 32.367  6.5881  615.630    223.101  237.186    447.343  740.924    257.397  25.390  10.340  35.448  6.9525  -10.05775      12.46028  
1 1 1 -11 42  28 o 27.665  7.3229  464.860    222.858  29.947     450.961  605.395    256.347  22.293  9.7690  31.478  7.6042  -9.184317      12.37972  
1 1 1 -11 42  29 o 27.226  1.5245  404.715    44.775   408.095    45.450   293.493    260.699  27.337  1.5413  22.622  8.2244  4.715305       8.367589  
1 1 1 -11 42  30 o 20.264  8.1900  183.208    278.209  43.018     478.057  255.003    342.109  21.814  9.7795  22.536  9.0913  -0.7220993     13.35252  
1 1 1 -11 42  31 o 25.383  11.110  325.696    581.728  0.0000     0.0000   325.696    581.728  ?       ?       25.383  11.110  0.000000       11.10981  
1 1 1 -11 42  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 42  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 43  1  o 270.397 5.3815  39664.23   1576.07  38041.43   2081.19  41846.29   2413.30  264.619 7.2614  277.439 8.0311  -12.82022      10.82712  
1 1 1 -11 43  2  o 320.596 5.4970  55763.00   1908.77  58197.42   2699.81  53330.07   2698.99  327.246 7.6171  313.213 7.9559  14.03299       11.01441  
1 1 1 -11 43  3  o 91.019  2.6595  4488.36    262.183  4239.46    364.156  4756.25    377.784  88.439  3.8017  93.676  3.7234  -5.237061      5.321337  
1 1 1 -11 43  4  o 168.554 3.4631  15397.29   632.235  14773.68   892.461  16025.54   895.779  165.040 4.9927  171.899 4.8112  -6.859726      6.933582  
1 1 1 -11 43  5  o 210.134 3.9396  23936.59   896.638  23301.14   1266.42  24575.30   1269.66  207.219 5.6426  212.819 5.5082  -5.600327      7.885346  
1 1 1 -11 43  6  o 345.851 6.4729  64953.64   2424.69  62723.68   3185.12  68026.95   3739.21  339.497 8.6620  353.324 9.7709  -13.82690      13.05762  
1 1 1 -11 43  7  o 322.317 5.7078  56384.19   1992.61  56312.34   2817.04  56456.13   2818.92  321.758 8.0834  322.169 8.0784  -0.4113770     11.42815  
1 1 1 -11 43  8  o 379.093 6.5726  78062.55   2698.71  78344.52   3815.37  77780.23   3817.72  379.208 9.2894  377.830 9.3291  1.377838       13.16529  
1 1 1 -11 43  9  o 254.710 4.6775  35190.47   1290.42  35766.93   1823.71  34612.48   1826.14  256.590 6.5621  252.401 6.6800  4.189270       9.363947  
1 1 1 -11 43  10 o 204.859 4.5674  22763.79   1013.43  22795.38   1237.57  22699.49   1765.70  204.921 5.5759  204.236 7.9820  0.6853790      9.736688  
1 1 1 -11 43  11 o 120.120 3.0638  7820.04    398.607  7870.74    559.081  7767.63    568.467  120.465 4.2849  119.669 4.3859  0.7959671      6.131593  
1 1 1 -11 43  12 o 49.147  3.6331  1316.78    192.023  1492.03    264.112  1120.26    279.680  52.225  4.7202  45.035  5.8737  7.189758       7.535269  
1 1 1 -11 43  13 o 91.212  2.9884  4509.49    295.236  4623.37    413.941  4391.58    421.206  92.320  4.1397  89.969  4.3225  2.350746       5.985085  
1 1 1 -11 43  14 o 117.463 3.0759  7479.94    391.330  6983.91    551.211  7984.02    555.664  113.434 4.4865  121.299 4.2295  -7.865463      6.165775  
1 1 1 -11 43  15 o 206.303 4.1682  23100.91   931.373  23091.64   1244.57  23112.71   1404.14  206.080 5.5759  206.061 6.2914  0.1881409E-01  8.406661  
1 1 1 -11 43  16 o 180.096 3.6504  17601.86   712.059  16879.07   999.135  18347.88   1015.06  176.166 5.2364  183.691 5.1019  -7.525024      7.310928  
1 1 1 -11 43  17 o 111.115 3.0089  6698.30    362.117  6839.63    523.869  6568.98    501.110  112.176 4.3117  109.944 4.2082  2.232300       6.024928  
1 1 1 -11 43  18 o 59.055  3.5944  1901.68    228.814  2098.09    332.488  1724.97    315.372  61.853  5.0060  56.004  5.2608  5.848404       7.261961  
1 1 1 -11 43  19 o 41.696  4.2980  956.874    191.319  1093.97    275.744  829.615    265.670  44.328  5.8890  38.348  6.6365  5.980080       8.872619  
1 1 1 -11 43  20 o 73.958  3.3591  2975.13    269.079  2795.46    399.509  3124.31    364.031  71.288  5.2102  75.534  4.4695  -4.245682      6.864626  
1 1 1 -11 43  21 o 96.201  3.6789  5042.67    383.325  5121.63    631.690  4996.65    482.269  96.258  6.0904  95.585  4.6583  0.6731339      7.667643  
1 1 1 -11 43  22 o 14.521  6.3093  -25.1499   184.661  -165.0007  327.249  40.184     223.673  17.611  7.9756  17.236  7.1934  0.3753109      10.74032  
1 1 1 -11 43  23 o 100.059 3.1891  5456.99    345.615  5354.70    682.267  5492.29    400.853  97.946  6.4677  100.273 3.6909  -2.327095      7.446738  
1 1 1 -11 43  24 o 29.831  6.5826  515.950    206.986  684.750    410.928  458.562    239.602  33.926  10.288  28.019  7.6709  5.907528       12.83307  
1 1 1 -11 43  25 o 62.952  3.7591  2181.07    255.140  1996.20    507.974  2243.45    295.059  58.472  8.2501  63.693  4.3023  -5.221004      9.304474  
1 1 1 -11 43  26 o 27.568  1.0301  412.041    30.757   508.430    44.036   320.232    42.977   30.611  1.3282  24.226  1.6477  6.385254       2.116340  
1 1 1 -11 43  27 o 15.984  6.9196  -5.6419    220.498  487.260    434.998  -176.0816  255.795  29.286  10.627  14.759  6.8197  14.52682       12.62727  
1 1 1 -11 43  28 o 28.622  7.2602  499.607    225.417  1011.20    465.374  342.783    257.660  38.932  10.704  24.215  8.2260  14.71660       13.49963  
1 1 1 -11 43  29 o 35.852  6.4019  777.865    239.473  524.730    503.466  851.880    272.241  28.590  11.191  37.182  7.0174  -8.591923      13.20949  
1 1 1 -11 43  30 o 17.409  7.6338  19.558     275.762  119.186    484.354  -28.2253   335.436  22.658  10.019  18.217  8.1776  4.440689       12.93245  
1 1 1 -11 43  31 f 16.634  8.2079  -779.4516  533.381  0.0000     0.0000   -779.4516  533.381  ?       ?       16.634  8.2079  0.000000       8.207867  
1 1 1 -11 43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 44  1  o 97.151  2.7787  5113.77    292.387  4580.79    413.099  5648.82    413.896  91.922  4.1492  102.087 3.7433  -10.16519      5.588218  
1 1 1 -11 44  2  o 557.699 9.5475  169398.20  5767.11  172641.59  8156.09  166155.00  8155.76  561.467 13.412  550.697 13.674  10.76959       19.15314  
1 1 1 -11 44  3  o 230.447 4.5140  28796.44   1126.68  28415.91   1710.12  29088.30   1497.67  228.723 6.9031  231.501 5.9730  -2.777206      9.128537  
1 1 1 -11 44  4  o 257.703 4.6371  36014.19   1294.30  36445.39   1829.90  35582.49   1830.94  259.068 6.5214  255.974 6.6040  3.094086       9.281274  
1 1 1 -11 44  5  o 129.733 3.0294  9120.07    425.673  8703.27    598.828  9545.81    605.209  126.693 4.3639  132.689 4.2111  -5.996429      6.064458  
1 1 1 -11 44  6  o 188.885 3.8995  19340.82   797.767  19080.50   1067.53  19670.08   1200.59  187.532 5.2557  190.367 5.8228  -2.835526      7.843942  
1 1 1 -11 44  7  o 93.586  2.7699  4745.65    280.770  4766.04    392.321  4724.24    401.993  93.764  3.8631  93.349  3.9759  0.4148865      5.543600  
1 1 1 -11 44  8  o 127.679 3.0163  8834.12    417.121  8527.29    584.851  9151.78    595.077  125.400 4.3060  129.914 4.2291  -4.513702      6.035493  
1 1 1 -11 44  9  o 181.726 4.5238  17911.62   890.402  18738.50   1442.71  17402.87   1131.64  185.660 7.1745  179.036 5.8357  6.623413       9.248201  
1 1 1 -11 44  10 o 503.155 9.7846  138140.41  5332.32  136124.30  6528.85  142179.50  9241.18  498.483 12.092  506.737 16.837  -8.253876      20.72984  
1 1 1 -11 44  11 o 245.453 4.4669  32682.70   1187.53  31591.52   1678.63  33775.93   1680.21  241.101 6.4281  249.325 6.2220  -8.223892      8.946148  
1 1 1 -11 44  12 o 134.772 3.1991  9845.84    466.981  9845.20    656.366  9846.51    664.532  134.704 4.4988  134.710 4.5546  -0.5798340E-02 6.401796  
1 1 1 -11 44  13 o 236.728 4.3887  30407.98   1125.27  30753.67   1594.31  30064.83   1588.46  237.840 6.1889  235.154 6.2367  2.685822       8.786307  
1 1 1 -11 44  14 o 178.240 3.6538  17231.75   705.376  16829.40   996.331  17636.09   998.779  176.003 5.2265  180.183 5.1178  -4.180725      7.314964  
1 1 1 -11 44  15 o 254.707 4.6554  35238.16   1284.31  33482.74   1815.30  36997.41   1817.27  247.873 6.7616  260.635 6.4375  -12.76120      9.335973  
1 1 1 -11 44  16 o 30.413  5.8992  520.853    187.309  506.116    272.417  534.068    257.965  29.926  8.1736  30.661  7.7608  -0.7352238     11.27115  
1 1 1 -11 44  17 o 100.238 3.0391  5451.98    329.946  4948.77    465.451  5960.25    467.787  95.389  4.5051  104.721 4.1243  -9.331642      6.107828  
1 1 1 -11 44  18 o 81.752  3.0956  3628.65    274.108  3729.85    385.685  3525.38    389.639  82.673  4.3222  80.344  4.4956  2.329628       6.236352  
1 1 1 -11 44  19 o 20.170  6.6451  213.990    168.309  158.363    244.338  264.219    232.177  20.460  7.8542  22.787  7.8083  -2.327719      11.07513  
1 1 1 -11 44  20 o 141.947 3.3745  10961.87   518.807  10384.31   736.268  11531.45   731.166  137.798 4.9331  145.290 4.6463  -7.491745      6.776754  
1 1 1 -11 44  21 o 95.355  3.3053  4949.36    341.370  4313.54    494.160  5529.76    472.132  88.546  5.1751  100.606 4.3328  -12.05991      6.749447  
1 1 1 -11 44  22 o 40.849  2.2256  908.846    98.097   867.820    106.475  1139.18    252.290  39.885  2.4770  45.223  5.2483  -5.337944      5.803446  
1 1 1 -11 44  23 o 53.908  2.2877  1579.17    133.572  1650.97    153.628  1356.77    270.377  55.095  2.5745  49.377  5.1305  5.717400       5.740225  
1 1 1 -11 44  24 o 67.879  2.6836  2509.27    197.299  2479.50    260.016  2549.67    302.918  67.235  3.5835  68.043  4.1298  -0.8077011     5.467800  
1 1 1 -11 44  25 o 81.351  3.3882  3622.18    298.541  3360.08    611.626  3704.16    342.056  76.502  7.4771  82.142  3.8447  -5.640442      8.407660  
1 1 1 -11 44  26 o 35.811  5.9641  738.329    223.191  551.153    469.443  792.995    253.698  30.987  11.066  36.920  6.5858  -5.933346      12.87731  
1 1 1 -11 44  27 o 38.494  5.7190  852.122    231.193  791.972    484.163  869.888    263.130  35.138  11.248  38.577  6.5306  -3.439037      13.00657  
1 1 1 -11 44  28 o 60.740  2.8198  2025.92    185.510  1780.46    230.478  2477.49    312.610  56.513  3.7873  66.401  4.3711  -9.888660      5.783626  
1 1 1 -11 44  29 o 34.789  6.6085  739.702    239.902  451.407    503.844  824.225    272.812  27.422  11.043  36.420  7.1712  -8.998203      13.16730  
1 1 1 -11 44  30 o 10.776  4.1495  46.417     68.340   6.1872     69.382   1356.04    395.863  9.3145  3.9536  45.624  8.3174  -36.30914      9.209231  
1 1 1 -11 44  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 44  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 45  1  o 412.905 7.1938  92633.54   3217.19  93494.86   4550.03  91772.40   4549.56  414.149 10.143  410.292 10.238  3.857574       14.41190  
1 1 1 -11 45  2  f 155.571 3.1064  13114.83   523.424  12624.07   739.222  13608.28   741.248  152.582 4.4730  158.425 4.3199  -5.843063      6.218461  
1 1 1 -11 45  3  o 433.488 7.4089  102123.40  3478.58  96933.06   4918.51  107317.70  4920.39  421.503 10.774  443.666 10.239  -22.16293      14.86325  
1 1 1 -11 45  4  o 177.817 3.6244  17138.04   698.039  17427.89   986.290  16847.13   988.064  179.241 5.0804  176.223 5.1767  3.017426       7.253171  
1 1 1 -11 45  5  o 174.044 3.8601  16420.58   727.666  15856.55   1028.85  16985.09   1029.30  170.938 5.5571  176.929 5.3712  -5.990372      7.728568  
1 1 1 -11 45  6  o 76.963  2.2783  3208.89    189.917  2980.82    298.456  3364.07    246.192  74.061  3.7326  78.793  2.8848  -4.731819      4.717485  
1 1 1 -11 45  7  o 150.639 3.1896  12297.77   520.408  12280.21   733.371  12315.58   738.593  150.478 4.4997  150.693 4.5252  -0.2153015     6.381591  
1 1 1 -11 45  8  o 20.152  5.3189  228.286    117.795  168.553    161.063  296.979    172.721  18.669  6.4976  23.105  6.5831  -4.435707      9.249624  
1 1 1 -11 45  9  f 179.843 4.3975  17541.57   856.588  16610.35   1385.73  18117.45   1089.72  174.775 7.3203  182.694 5.5071  -7.918900      9.160492  
1 1 1 -11 45  10 o 245.602 5.0776  32735.51   1350.71  30668.65   1651.84  36906.02   2346.42  237.573 6.4195  260.317 8.3221  -22.74390      10.51035  
1 1 1 -11 45  11 o 168.034 3.4813  15307.36   633.595  14548.87   889.017  16090.30   903.230  163.723 5.0134  172.191 4.8430  -8.467590      6.970581  
1 1 1 -11 45  12 o 167.321 3.5362  15179.68   640.850  15314.13   903.240  15043.39   909.389  167.963 4.9650  166.465 5.0438  1.497589       7.077495  
1 1 1 -11 45  13 o 69.689  3.1470  2632.86    237.535  2747.55    330.703  2510.64    341.402  71.027  4.3193  67.848  4.6743  3.178078       6.364367  
1 1 1 -11 45  14 o 186.527 3.7598  18874.57   759.575  19208.42   1073.05  18539.28   1075.36  188.011 5.2694  184.695 5.3756  3.316605       7.527573  
1 1 1 -11 45  15 o 78.674  3.0800  3356.61    262.454  2975.44    369.414  3745.10    372.943  73.862  4.6412  83.055  4.1458  -9.192474      6.223238  
1 1 1 -11 45  16 o 74.791  3.0987  3034.56    251.012  2905.11    357.193  3160.85    352.817  72.967  4.5422  76.151  4.2952  -3.184387      6.251420  
1 1 1 -11 45  17 o 129.307 3.1539  9075.30    441.718  9369.77    619.755  8771.28    629.732  131.255 4.3595  126.966 4.5793  4.289085       6.322583  
1 1 1 -11 45  18 o 90.038  3.0428  4401.91    296.733  4348.94    420.162  4454.63    419.126  89.373  4.3405  90.460  4.2778  -1.086380      6.094204  
1 1 1 -11 45  19 o 153.233 3.4339  12768.88   569.910  13214.95   822.531  12357.00   790.380  155.558 4.8819  150.431 4.8510  5.126404       6.882218  
1 1 1 -11 45  20 o 35.146  5.8983  696.346    216.573  736.210    316.398  661.201    297.075  35.666  8.3395  33.812  8.1970  1.854187       11.69354  
1 1 1 -11 45  21 o 79.670  3.4187  3457.11    295.006  3301.01    418.900  3610.70    415.524  77.440  5.0214  81.071  4.7529  -3.631584      6.914083  
1 1 1 -11 45  22 o 56.789  3.6206  1766.82    221.535  2007.01    431.533  1680.87    258.149  59.724  6.7918  55.241  4.3497  4.482765       8.065301  
1 1 1 -11 45  23 o 49.939  4.3227  1377.39    231.506  1781.95    476.915  1252.68    264.796  55.621  8.1590  47.384  5.2476  8.236980       9.700919  
1 1 1 -11 45  24 o 22.482  7.3546  277.968    206.303  261.917    429.260  282.789    235.253  25.987  10.283  23.015  7.8600  2.971764       12.94316  
1 1 1 -11 45  25 o 71.907  3.5597  2833.97    277.240  3580.24    571.947  2604.77    316.967  79.373  6.7160  68.628  4.2857  10.74477       7.966904  
1 1 1 -11 45  26 o 41.923  4.8503  988.489    216.173  1218.93    481.086  930.190    241.978  44.195  10.249  40.374  5.6915  3.821186       11.72359  
1 1 1 -11 45  27 o 52.076  2.2350  1478.57    126.064  1527.98    144.699  1322.94    256.803  52.889  2.5260  48.393  4.9700  4.496109       5.575086  
1 1 1 -11 45  28 o 27.853  7.4301  479.489    228.288  352.075    478.307  517.076    259.788  26.547  10.736  28.723  8.0353  -2.175289      13.40963  
1 1 1 -11 45  29 f 29.325  7.6784  549.593    246.755  625.054    496.381  524.825    284.382  29.989  11.268  28.302  8.5533  1.687454       14.14653  
1 1 1 -11 45  30 o 5.1228  2.5051  -86.7711   46.242   -86.9914   46.402   -54.9774   557.462  5.1329  2.5099  21.940  10.113  -16.80662      10.41983  
1 1 1 -11 45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 45  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 46  1  o 210.347 3.8695  23984.94   881.572  22995.31   1246.17  24976.37   1247.30  205.853 5.5892  214.554 5.3674  -8.700974      7.749058  
1 1 1 -11 46  2  o 263.846 4.8580  37758.30   1388.30  38095.47   1962.99  37420.87   1963.71  264.821 6.8438  262.458 6.9079  2.362793       9.724023  
1 1 1 -11 46  3  o 154.924 3.2209  13006.85   540.457  12600.97   763.101  13415.34   765.547  152.432 4.6221  157.287 4.4938  -4.854614      6.446490  
1 1 1 -11 46  4  o 263.639 5.0635  37705.11   1445.88  37669.88   1911.34  37752.24   2210.76  263.346 6.7010  263.502 7.7462  -0.1555176     10.24240  
1 1 1 -11 46  5  o 383.437 7.0996  79894.80   2948.47  78950.59   3867.71  81204.86   4555.80  380.679 9.3805  385.671 10.906  -4.992218      14.38543  
1 1 1 -11 46  6  o 242.553 4.7365  31910.46   1244.32  32319.28   1648.60  31369.24   1896.89  243.961 6.2391  240.230 7.2903  3.731430       9.595576  
1 1 1 -11 46  7  o 188.011 3.7581  19162.33   765.285  18575.95   1080.53  19752.53   1084.04  185.012 5.3922  190.792 5.2458  -5.779968      7.522902  
1 1 1 -11 46  8  o 62.490  2.9106  2116.11    197.002  1955.93    274.760  2285.58    282.611  59.906  4.2624  64.799  4.0470  -4.893269      5.877584  
1 1 1 -11 46  9  o 85.094  3.3379  3924.85    307.638  3807.76    537.594  3981.87    375.132  83.522  5.9823  85.692  4.0418  -2.170891      7.219719  
1 1 1 -11 46  10 o 217.965 4.7860  25778.61   1129.86  25974.61   1381.91  25383.39   1962.34  218.689 5.8342  215.853 8.3936  2.836105       10.22203  
1 1 1 -11 46  11 o 91.952  3.0213  4582.82    300.901  4152.21    417.088  5050.19    434.525  87.373  4.4218  96.491  4.1577  -9.118744      6.069516  
1 1 1 -11 46  12 o 283.381 5.3807  43614.32   1651.50  43035.55   2179.79  44394.25   2530.39  281.184 7.1574  285.366 8.1868  -4.181427      10.87437  
1 1 1 -11 46  13 o 121.377 3.0935  7987.00    406.685  8121.63    571.608  7848.98    578.737  122.333 4.3141  120.254 4.4434  2.078659       6.193103  
1 1 1 -11 46  14 o 319.706 5.6123  55581.27   1943.39  54425.82   2747.46  56738.23   2749.28  315.685 8.0354  322.376 7.8738  -6.690338      11.25010  
1 1 1 -11 46  15 o 30.132  5.5492  509.566    174.428  723.768    244.671  288.185    248.737  35.890  6.5350  23.835  8.0824  12.05419       10.39384  
1 1 1 -11 46  16 o 118.125 3.0885  7570.67    395.144  7638.94    558.897  7502.45    558.740  118.548 4.3528  117.480 4.3911  1.067680       6.182930  
1 1 1 -11 46  17 o 189.179 3.7922  19448.73   777.030  19624.72   1104.11  19276.03   1093.73  189.702 5.3737  188.010 5.3710  1.692245       7.597670  
1 1 1 -11 46  18 o 95.324  2.9101  4933.45    300.450  4815.06    441.572  5035.51    409.985  94.026  4.3359  96.203  3.9347  -2.176407      5.855085  
1 1 1 -11 46  19 o 101.528 2.9964  5600.77    329.499  5239.35    451.017  6014.48    482.544  98.034  4.2476  105.036 4.2416  -7.002693      6.002775  
1 1 1 -11 46  20 o 67.281  3.5661  2471.77    258.945  2119.14    376.098  2789.58    357.051  61.875  5.6752  71.290  4.6496  -9.415123      7.336634  
1 1 1 -11 46  21 o 134.098 3.3429  9793.73    485.532  9408.21    690.369  10171.04   682.982  131.018 4.8650  136.304 4.6263  -5.285751      6.713446  
1 1 1 -11 46  22 o 98.800  3.0032  5314.89    321.380  5229.34    544.832  5360.54    397.994  97.355  5.1856  99.085  3.7085  -1.729706      6.375272  
1 1 1 -11 46  23 o 56.236  3.9927  1740.23    241.609  2214.13    494.401  1591.55    276.930  62.339  7.4712  53.568  4.8248  8.770275       8.893700  
1 1 1 -11 46  24 o 59.207  3.8966  1930.56    248.481  1779.90    510.142  1977.43    284.512  54.984  8.8678  59.781  4.4255  -4.797089      9.910719  
1 1 1 -11 46  25 o 51.376  2.1466  1435.92    119.448  1516.17    133.295  1108.76    269.138  52.770  2.3321  44.195  5.7593  8.575020       6.213599  
1 1 1 -11 46  26 o 74.868  2.8911  3064.07    234.436  2604.40    329.965  3532.64    333.143  68.444  4.4757  80.104  3.8398  -11.66001      5.897076  
1 1 1 -11 46  27 o 17.763  7.1702  101.277    212.944  692.806    455.988  -63.7064   240.816  32.977  10.941  15.676  6.9905  17.30114       12.98372  
1 1 1 -11 46  28 o 24.567  7.6180  370.407    223.752  272.906    477.453  397.846    253.288  25.257  10.523  25.374  8.1371  -0.1168652     13.30179  
1 1 1 -11 46  29 o 20.891  1.6137  239.223    36.230   240.950    36.597   154.395    256.474  20.965  1.6243  19.398  7.8553  1.566957       8.021524  
1 1 1 -11 46  30 o 28.047  10.005  549.453    383.677  580.560    511.031  509.265    580.851  28.602  11.251  27.854  11.606  0.7475796      16.16403  
1 1 1 -11 46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 46  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 47  1  o 209.758 4.0099  23853.07   911.002  23803.92   1288.16  23902.25   1288.55  209.429 5.6789  209.862 5.6689  -0.4328766     8.024067  
1 1 1 -11 47  2  o 136.621 3.0178  10114.38   446.560  9785.79    630.572  10444.96   632.494  134.340 4.3337  138.796 4.2074  -4.455856      6.040106  
1 1 1 -11 47  3  o 149.903 3.2929  12178.14   534.633  12485.31   731.079  11825.03   783.847  151.736 4.4484  147.648 4.9015  4.087830       6.619166  
1 1 1 -11 47  4  o 196.953 3.9110  21029.01   834.304  19597.25   1178.11  22469.43   1181.67  190.016 5.7243  203.493 5.3614  -13.47649      7.842973  
1 1 1 -11 47  5  o 205.812 3.9900  22964.86   889.435  23107.02   1256.66  22822.15   1259.05  206.335 5.6231  205.056 5.6689  1.279495       7.984705  
1 1 1 -11 47  6  o 159.229 3.4525  13742.16   595.426  13601.10   808.754  13909.11   879.850  158.351 4.7155  160.114 5.0735  -1.762909      6.926475  
1 1 1 -11 47  7  o 166.150 3.4074  14962.71   613.190  14725.94   864.552  15202.37   869.836  164.758 4.8448  167.405 4.7973  -2.646820      6.818082  
1 1 1 -11 47  8  o 152.342 3.2397  12578.67   534.565  12969.06   756.123  12188.56   755.857  154.629 4.5147  149.897 4.6556  4.732605       6.485170  
1 1 1 -11 47  9  o 221.367 4.8169  26588.47   1154.92  24009.26   1998.09  27882.51   1415.29  209.890 8.7893  226.596 5.7666  -16.70575      10.51215  
1 1 1 -11 47  10 o 94.155  2.7749  4804.19    282.978  4353.93    415.152  5194.93    386.741  89.592  4.2783  97.884  3.6479  -8.292625      5.622319  
1 1 1 -11 47  11 o 183.369 3.8963  18235.47   773.844  18340.21   1038.72  18104.83   1160.06  183.791 5.2180  182.546 5.8673  1.245178       7.851967  
1 1 1 -11 47  12 o 214.118 4.0983  24872.32   950.450  24644.85   1343.26  25100.38   1345.02  212.945 5.8240  214.910 5.7783  -1.964996      8.204153  
1 1 1 -11 47  13 o 258.858 4.7391  36385.15   1328.71  36215.20   1877.43  36555.70   1880.73  257.904 6.7210  259.117 6.7013  -1.213654      9.491035  
1 1 1 -11 47  14 o 137.958 3.2674  10322.37   488.217  10540.65   679.045  10088.80   702.435  139.315 4.5002  136.274 4.7591  3.041565       6.549845  
1 1 1 -11 47  15 o 197.257 3.8971  21126.01   832.619  21225.85   1177.08  21026.04   1177.92  197.471 5.5034  196.534 5.5336  0.9371490      7.804388  
1 1 1 -11 47  16 o 146.564 3.3141  11659.84   526.093  11549.43   743.871  11770.32   744.145  145.697 4.7139  147.090 4.6709  -1.392868      6.636137  
1 1 1 -11 47  17 o 26.956  5.3223  410.061    149.874  516.901    244.334  345.613    189.769  30.092  7.5182  24.740  6.8487  5.351439       10.16998  
1 1 1 -11 47  18 o 109.644 3.0170  6529.60    358.291  6079.12    511.195  6964.58    502.321  105.609 4.4691  113.096 4.1008  -7.487442      6.065372  
1 1 1 -11 47  19 f 116.235 3.1403  7344.56    395.350  7813.01    573.185  6919.47    546.023  119.661 4.4226  112.600 4.4772  7.060768       6.293165  
1 1 1 -11 47  20 o 45.115  4.4772  1122.74    215.886  964.833    316.895  1259.50    294.908  41.128  7.3853  47.522  5.8533  -6.394146      9.423567  
1 1 1 -11 47  21 o 64.177  3.7357  2254.51    258.545  2228.69    371.920  2278.66    359.663  63.424  5.4675  64.199  5.2176  -0.7753563     7.557580  
1 1 1 -11 47  22 o 90.236  3.1985  4437.40    312.604  4098.95    593.619  4567.27    367.723  85.688  6.4433  91.448  3.7126  -5.760170      7.436385  
1 1 1 -11 47  23 o 64.685  3.6837  2295.49    257.014  2635.86    523.596  2187.44    295.000  68.155  7.2020  62.978  4.3514  5.177017       8.414528  
1 1 1 -11 47  24 o 57.728  3.9803  1837.76    247.351  977.373    506.962  2106.57    283.368  39.703  11.267  61.745  4.2633  -22.04229      12.04620  
1 1 1 -11 47  25 o 59.227  3.9729  1938.47    253.380  1935.75    522.151  1939.31    289.786  57.117  8.7164  59.052  4.5663  -1.934696      9.840063  
1 1 1 -11 47  26 o 27.867  7.1997  462.134    218.856  188.019    458.491  543.023    249.062  24.931  10.343  30.100  7.6296  -5.168495      12.85248  
1 1 1 -11 47  27 o 27.952  7.3156  473.451    224.056  168.087    472.300  562.130    254.518  24.454  10.344  30.324  7.7270  -5.870710      12.91110  
1 1 1 -11 47  28 o 38.905  5.7662  891.265    235.623  1063.09    498.089  841.728    267.440  38.633  11.232  37.176  6.8958  1.457024       13.17963  
1 1 1 -11 47  29 o 19.565  1.0833  208.530    22.867   266.335    34.911   165.097    30.261   22.071  1.4688  17.329  1.6315  4.741634       2.195281  
1 1 1 -11 47  30 o 22.558  9.3643  244.727    376.179  117.120    499.937  411.270    571.138  22.607  10.077  26.534  11.305  -3.927523      15.14437  
1 1 1 -11 47  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 47  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 48  1  o 228.277 4.2806  28255.90   1058.36  28566.08   1496.97  27945.91   1496.51  229.385 6.0253  226.876 6.0901  2.509705       8.566972  
1 1 1 -11 48  2  o 299.894 5.6769  48813.05   1843.97  47768.80   2430.29  50229.88   2830.82  296.415 7.5699  303.781 8.6036  -7.366241      11.45972  
1 1 1 -11 48  3  o 251.058 4.5732  34183.57   1243.56  34237.24   1758.35  34129.86   1758.97  251.074 6.4660  250.679 6.4784  0.3954315      9.153082  
1 1 1 -11 48  4  o 326.816 6.0411  57990.41   2138.42  56295.05   3290.19  59230.32   2813.75  321.410 9.4513  329.998 7.8723  -8.587311      12.30044  
1 1 1 -11 48  5  o 333.453 5.8000  60360.14   2094.76  59588.33   2961.52  61132.89   2963.35  330.907 8.2630  335.188 8.1625  -4.280884      11.61482  
1 1 1 -11 48  6  o 298.623 5.6677  48406.72   1833.17  48769.19   2415.22  47914.13   2815.56  299.484 7.4458  296.616 8.7640  2.867859       11.49988  
1 1 1 -11 48  7  o 149.944 3.2295  12185.51   524.488  12521.43   741.724  11849.56   741.752  151.939 4.5071  147.800 4.6335  4.139008       6.464061  
1 1 1 -11 48  8  o 105.863 2.9165  6073.35    334.414  6303.72    472.162  5841.48    473.708  107.818 4.0432  103.784 4.2141  4.034134       5.840089  
1 1 1 -11 48  9  o 261.210 6.7170  37093.38   1900.34  36850.11   2686.16  37337.13   2688.82  259.842 9.5445  261.565 9.4910  -1.722748      13.46021  
1 1 1 -11 48  10 o 228.774 4.5444  28397.09   1126.04  28755.96   1497.08  27929.57   1708.75  230.053 6.0082  226.595 6.9624  3.457657       9.196412  
1 1 1 -11 48  11 o 123.190 3.0772  8226.09    410.589  8317.26    584.469  8137.26    576.925  123.812 4.3584  122.466 4.3494  1.346634       6.157382  
1 1 1 -11 48  12 o 287.896 5.1196  45017.34   1596.40  44249.21   2256.79  45786.63   2258.50  284.997 7.3111  289.933 7.1920  -4.936584      10.25559  
1 1 1 -11 48  13 o 54.239  3.6156  1602.86    211.187  1629.64    299.523  1576.40    297.811  54.526  5.1321  53.612  5.1938  0.9138336      7.301684  
1 1 1 -11 48  14 o 143.668 3.2801  11196.01   510.405  11227.84   719.744  11163.80   723.919  143.758 4.6225  143.343 4.6628  0.4145355      6.565719  
1 1 1 -11 48  15 o 194.598 4.0884  20570.67   861.710  20358.13   1156.41  20836.04   1292.14  193.347 5.5221  195.482 6.1028  -2.135818      8.230328  
1 1 1 -11 48  16 o 149.046 3.4245  12062.09   552.828  11928.29   756.948  12215.03   809.308  148.043 4.7207  149.768 4.9891  -1.725311      6.868523  
1 1 1 -11 48  17 o 56.786  2.4866  1749.34    152.938  1590.12    177.979  2198.76    299.016  54.031  3.0538  63.400  4.3814  -9.369190      5.340596  
1 1 1 -11 48  18 o 54.676  3.5369  1632.59    208.331  1835.19    315.478  1475.92    277.426  57.738  5.0971  51.747  5.0127  5.991337       7.148946  
1 1 1 -11 48  19 o 49.936  3.9298  1367.10    210.829  1296.98    319.034  1421.45    280.907  48.174  6.2626  50.702  5.1884  -2.527878      8.132587  
1 1 1 -11 48  20 o 34.580  5.4813  672.062    198.449  649.595    298.292  689.901    265.806  33.460  8.2766  34.643  7.3136  -1.183041      11.04498  
1 1 1 -11 48  21 f 108.183 3.2355  6374.93    379.120  6284.72    558.864  6451.84    516.010  107.038 4.8206  108.571 4.3881  -1.532425      6.518683  
1 1 1 -11 48  22 o 82.242  2.8543  3681.88    254.247  3244.83    378.468  4041.32    343.228  76.766  4.5726  86.015  3.6842  -9.248688      5.872112  
1 1 1 -11 48  23 o 39.122  5.3387  861.163    220.314  808.165    451.869  877.690    252.339  36.594  10.715  39.278  6.1319  -2.683846      12.34531  
1 1 1 -11 48  24 o 22.103  7.3792  266.108    207.304  90.111     429.922  319.426    236.631  23.361  9.8744  23.965  7.8785  -0.6031513     12.63227  
1 1 1 -11 48  25 o 13.063  6.0482  -155.1848  202.695  32.136     425.572  -210.1466  230.521  22.333  9.6405  13.485  6.3122  8.848186       11.52319  
1 1 1 -11 48  26 o 58.860  2.5862  1891.51    164.873  2277.14    528.007  1849.85    173.551  62.054  8.0453  58.177  2.7543  3.877045       8.503727  
1 1 1 -11 48  27 f 19.348  7.4131  169.924    217.409  550.212    457.551  59.027     247.084  29.966  10.896  17.805  7.5037  12.16111       13.22941  
1 1 1 -11 48  28 o ?       ?       -381.0855  32.463   -388.9403  32.758   48.984     242.391  ?       ?       17.213  7.3499  0.000000       7.349898  
1 1 1 -11 48  29 o 18.858  7.9004  111.192    271.271  81.791     477.279  125.223    329.703  22.299  9.8984  20.290  8.6157  2.008259       13.12283  
1 1 1 -11 48  30 o 26.152  9.9014  460.507    384.966  185.697    511.392  819.891    584.814  23.361  10.314  31.688  12.154  -8.326632      15.94059  
1 1 1 -11 48  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 48  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 49  1  o 156.833 3.3154  13330.64   563.183  12001.72   827.011  14479.86   769.065  148.731 5.1338  163.408 4.3453  -14.67780      6.725891  
1 1 1 -11 49  2  o 13.632  4.9042  84.097     92.364   51.623     131.373  115.839    129.884  14.145  5.6591  16.079  5.8114  -1.934457      8.111569  
1 1 1 -11 49  3  o 202.007 3.8161  22121.69   834.948  20958.35   1180.07  23287.88   1181.52  196.511 5.5444  207.167 5.2656  -10.65549      7.646361  
1 1 1 -11 49  4  o 150.896 3.3127  12340.69   541.409  11897.32   764.655  12786.41   766.685  148.099 4.7670  153.541 4.6102  -5.442093      6.631610  
1 1 1 -11 49  5  o 192.353 3.7378  20057.81   778.732  20015.31   1100.02  20100.51   1102.57  192.051 5.2883  192.459 5.2893  -0.4082336     7.479484  
1 1 1 -11 49  6  o 133.266 3.0465  9624.69    439.731  9552.67    619.445  9697.84    624.332  132.720 4.3092  133.725 4.3106  -1.004608      6.095088  
1 1 1 -11 49  7  o 126.817 3.0366  8715.87    417.099  9312.54    585.666  8101.75    594.160  131.045 4.1263  122.215 4.4886  8.830681       6.097019  
1 1 1 -11 49  8  o 283.056 5.0569  43482.27   1550.33  44373.26   2191.83  42590.20   2193.16  285.647 7.0845  279.824 7.2363  5.823334       10.12685  
1 1 1 -11 49  9  o 244.867 6.3819  32589.44   1692.57  31361.82   2392.33  33819.79   2394.99  239.740 9.2132  249.024 8.8796  -9.284195      12.79570  
1 1 1 -11 49  10 o 166.008 3.5157  14941.92   632.144  15618.45   892.554  14261.04   895.426  169.635 4.8579  162.077 5.1008  7.557571       7.043950  
1 1 1 -11 49  11 o 157.836 3.3979  13507.57   580.871  13559.66   819.974  13455.09   822.987  158.045 4.7901  157.432 4.8265  0.6134491      6.800032  
1 1 1 -11 49  12 o 248.686 4.5685  33574.20   1230.54  32710.88   1737.82  34442.36   1742.69  245.152 6.5449  251.585 6.3954  -6.433151      9.150717  
1 1 1 -11 49  13 o 157.992 3.4177  13539.47   584.845  13756.21   824.025  13319.48   830.200  159.131 4.7810  156.573 4.8955  2.558212       6.842769  
1 1 1 -11 49  14 o 66.447  3.2526  2395.15    234.088  2682.80    333.629  2116.22    328.530  70.136  4.4144  62.198  4.9168  7.937878       6.607738  
1 1 1 -11 49  15 o 90.422  2.9914  4435.68    292.967  4260.31    412.283  4614.56    416.383  88.533  4.2995  92.150  4.1718  -3.617096      5.990835  
1 1 1 -11 49  16 o 97.415  3.0299  5150.61    319.688  5101.28    458.738  5197.19    445.756  96.831  4.3740  97.754  4.2101  -0.9226456     6.070987  
1 1 1 -11 49  17 o 83.064  3.0148  3746.64    271.237  3683.27    384.203  3809.60    382.974  82.128  4.3345  83.542  4.2464  -1.414238      6.067983  
1 1 1 -11 49  18 o 190.060 3.7665  19662.03   775.349  20572.08   1105.48  18780.95   1087.75  193.941 5.2627  185.250 5.4213  8.690872       7.555559  
1 1 1 -11 49  19 o 133.490 3.2475  9692.79    469.531  9328.63    689.232  10008.14   641.381  130.600 4.8725  135.403 4.3734  -4.802307      6.547343  
1 1 1 -11 49  20 o 103.928 3.1093  5876.76    349.992  6681.09    515.630  5189.59    476.599  110.575 4.3054  97.410  4.5173  13.16480       6.240379  
1 1 1 -11 49  21 o 116.443 3.1740  7385.01    400.299  7605.86    581.022  7185.47    552.289  117.815 4.5532  114.543 4.4517  3.272743       6.367868  
1 1 1 -11 49  22 o 125.469 3.7057  8602.22    503.589  7653.37    847.300  9120.46    626.191  116.984 6.7153  128.926 4.4843  -11.94169      8.074900  
1 1 1 -11 49  23 o 94.206  3.2586  4846.05    332.491  5458.55    670.234  4646.11    382.932  98.693  6.3029  92.095  3.8390  6.598091       7.380006  
1 1 1 -11 49  24 o 45.135  2.0816  1107.60    101.762  1127.57    110.526  996.434    260.759  45.526  2.2415  41.858  5.9165  3.667343       6.326825  
1 1 1 -11 49  25 o 92.059  2.9832  4632.80    297.452  4258.17    476.200  4872.49    380.902  87.365  5.0541  94.161  3.7348  -6.796265      6.284325  
1 1 1 -11 49  26 o 31.390  2.3050  540.077    77.818   504.255    81.643   895.789    257.274  30.291  2.5111  39.288  6.2558  -8.996628      6.740986  
1 1 1 -11 49  27 o 51.163  4.5669  1478.73    250.413  1431.31    516.095  1493.34    286.383  46.533  10.491  51.083  5.2508  -4.550190      11.73129  
1 1 1 -11 49  28 o 50.696  4.6611  1470.10    253.070  1392.69    524.812  1493.56    288.874  44.335  10.985  50.689  5.3421  -6.353565      12.21530  
1 1 1 -11 49  29 o 38.918  7.1767  946.254    291.369  1356.00    517.985  756.594    352.408  43.023  11.056  33.162  9.3876  9.861240       14.50394  
1 1 1 -11 49  30 o 50.108  8.0044  1634.17    419.792  1665.09    560.465  1594.67    633.588  46.848  11.198  43.570  12.668  3.277878       16.90752  
1 1 1 -11 49  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 50  1  o 209.032 4.2344  23693.27   958.691  24488.23   1447.61  23072.23   1279.49  212.345 6.2942  206.164 5.7300  6.180603       8.511727  
1 1 1 -11 50  2  o 193.339 3.7949  20264.14   794.665  21130.77   1123.85  19397.58   1123.81  197.336 5.2581  189.053 5.4883  8.282883       7.600616  
1 1 1 -11 50  3  o 112.385 3.0224  6844.57    367.902  6087.65    518.057  7614.69    522.556  105.946 4.5147  118.507 4.0712  -12.56152      6.079190  
1 1 1 -11 50  4  f 63.317  2.8187  2172.42    193.305  2217.42    273.683  2127.61    273.068  63.828  3.9786  62.510  4.0551  1.317543       5.680953  
1 1 1 -11 50  5  o 267.268 4.8139  38752.38   1393.53  38649.26   1969.82  38855.69   1971.68  266.676 6.8198  267.388 6.8081  -0.7128601     9.636376  
1 1 1 -11 50  6  o 170.210 3.4786  15704.47   641.293  15647.03   906.070  15762.12   907.783  169.817 4.9262  170.441 4.9174  -0.6240234     6.960497  
1 1 1 -11 50  7  o 125.550 3.0163  8542.83    410.168  8718.82    579.028  8365.56    581.108  126.791 4.2164  124.192 4.3201  2.599686       6.036646  
1 1 1 -11 50  8  o 146.236 3.2101  11591.54   508.448  11639.84   718.244  11543.03   719.869  146.475 4.5273  145.863 4.5566  0.6120453      6.423298  
1 1 1 -11 50  9  o 144.198 4.5882  11282.36   716.593  12172.71   1016.12  10401.42   1010.73  149.655 6.2688  138.299 6.7476  11.35562       9.210164  
1 1 1 -11 50  10 o 339.406 5.9212  62603.22   2176.70  63191.72   3077.16  62013.82   3079.49  340.412 8.3459  337.201 8.4318  3.211670       11.86379  
1 1 1 -11 50  11 o 334.503 5.8157  60823.28   2107.03  59764.08   2978.52  61884.29   2981.07  330.933 8.3098  336.794 8.1722  -5.861115      11.65492  
1 1 1 -11 50  12 o 109.058 3.0215  6448.42    356.909  5720.95    498.692  7212.32    511.024  102.652 4.4853  115.282 4.0927  -12.63023      6.071945  
1 1 1 -11 50  13 o 236.326 4.7011  30343.67   1203.31  29593.02   1595.96  31332.56   1831.78  233.080 6.3219  239.661 7.0568  -6.580994      9.474386  
1 1 1 -11 50  14 o 83.953  2.9846  3822.89    271.391  3683.28    378.804  3970.11    389.008  82.229  4.2679  85.488  4.2013  -3.259750      5.988816  
1 1 1 -11 50  15 o 74.096  3.1424  2979.51    252.188  2766.85    361.345  3181.46    352.129  71.155  4.7153  76.380  4.2736  -5.224403      6.363832  
1 1 1 -11 50  16 o 103.951 2.9983  5865.73    337.579  5475.73    476.641  6258.26    478.180  100.302 4.3875  107.262 4.1160  -6.960037      6.015913  
1 1 1 -11 50  17 f 40.361  4.2039  896.601    181.075  851.010    256.950  941.580    255.217  38.915  6.3124  41.063  5.9085  -2.147411      8.646261  
1 1 1 -11 50  18 o 65.641  3.4007  2349.79    240.945  2088.69    370.759  2540.68    317.013  61.489  5.6295  68.121  4.3190  -6.631973      7.095404  
1 1 1 -11 50  19 o 78.690  3.2442  3368.59    276.505  3266.06    418.865  3447.78    368.108  77.077  5.0452  79.361  4.2985  -2.283516      6.628104  
1 1 1 -11 50  20 o 126.728 3.2974  8745.51    452.597  9016.52    669.508  8517.42    614.199  128.276 4.8188  124.756 4.5455  3.520454       6.624348  
1 1 1 -11 50  21 o 64.075  3.6062  2247.26    249.250  2217.69    371.067  2271.58    336.455  63.216  5.4734  64.142  4.8796  -0.9257240     7.332732  
1 1 1 -11 50  22 o 84.510  3.1361  3893.85    287.055  3965.42    394.101  3812.98    418.953  84.928  4.2983  83.164  4.6701  1.764893       6.347061  
1 1 1 -11 50  23 o 79.772  3.3836  3478.35    292.344  3378.46    589.486  3510.93    336.662  77.112  7.1390  80.027  3.8840  -2.915863      8.127212  
1 1 1 -11 50  24 o 99.379  3.2531  5402.29    350.154  5408.04    706.792  5400.42    403.098  97.653  6.7234  99.199  3.7517  -1.546104      7.699350  
1 1 1 -11 50  25 o 53.596  4.3062  1596.17    247.868  1993.40    507.152  1471.50    284.113  58.111  8.2930  51.148  5.2009  6.962509       9.788876  
1 1 1 -11 50  26 o 21.702  7.5229  256.776    215.801  90.606     447.251  307.201    246.378  23.206  9.9484  23.428  8.0429  -0.2220898     12.79290  
1 1 1 -11 50  27 o 57.773  4.2236  1875.67    262.455  2089.12    541.566  1810.15    300.043  57.611  8.9712  56.363  4.9657  1.247707       10.25375  
1 1 1 -11 50  28 f 24.082  7.7113  359.899    227.538  -24.3482   479.297  471.693    258.528  21.483  9.6974  27.136  8.1450  -5.653650      12.66408  
1 1 1 -11 50  29 o 24.071  8.5328  362.818    278.636  -5.4653    490.474  538.313    338.577  21.497  9.7471  28.135  9.4303  -6.638054      13.56227  
1 1 1 -11 50  30 o 59.069  10.591  2540.27    652.711  0.0000     0.0000   2540.27    652.711  ?       ?       59.069  10.591  0.000000       10.59128  
1 1 1 -11 50  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 51  1  o 248.844 4.9286  33595.54   1328.37  32496.99   1759.53  35051.51   2025.66  244.561 6.6426  253.896 7.3661  -9.334686      9.918877  
1 1 1 -11 51  2  o 88.212  2.5384  4216.02    242.529  4067.21    365.099  4333.55    324.461  86.613  3.8919  89.417  3.3502  -2.804054      5.135230  
1 1 1 -11 51  3  o 252.905 4.8489  34699.69   1328.23  34555.56   1759.48  34890.65   2025.22  252.208 6.4410  253.304 7.3818  -1.095810      9.796796  
1 1 1 -11 51  4  o 100.610 2.8022  5485.13    305.359  5133.44    431.505  5837.92    432.182  97.298  4.0946  103.768 3.8453  -6.469543      5.617153  
1 1 1 -11 51  5  o 152.285 3.3935  12570.40   559.718  12509.60   821.652  12623.03   764.552  151.835 4.9963  152.543 4.6275  -0.7082977     6.810013  
1 1 1 -11 51  6  o 217.604 4.1409  25679.62   975.960  25122.04   1379.43  26238.47   1381.00  215.070 5.9217  219.810 5.8006  -4.739777      8.289412  
1 1 1 -11 51  7  o 255.501 4.6157  35418.40   1277.34  34768.85   1805.38  36069.46   1807.48  252.905 6.5908  257.609 6.4780  -4.703262      9.241407  
1 1 1 -11 51  8  o 244.948 4.5296  32552.95   1201.71  33844.11   1698.93  31260.12   1700.03  249.545 6.2857  239.794 6.5456  9.751419       9.074978  
1 1 1 -11 51  9  o 126.503 3.5409  8676.93    485.157  8464.46    592.992  9107.08    843.750  124.905 4.3833  129.454 6.0177  -4.549232      7.444820  
1 1 1 -11 51  10 o 259.672 4.7247  36603.45   1328.83  36644.95   1875.95  36561.66   1882.57  259.513 6.6741  259.212 6.7054  0.3007813      9.460773  
1 1 1 -11 51  11 o 186.811 3.7429  18930.57   757.321  19535.64   1069.55  18322.19   1072.48  189.627 5.2075  183.622 5.3926  6.004898       7.496521  
1 1 1 -11 51  12 o 178.028 3.6397  17194.70   701.816  17248.50   992.722  17140.93   992.313  178.148 5.1449  177.590 5.1589  0.5581207      7.285913  
1 1 1 -11 51  13 f 170.872 3.5792  15843.86   662.417  15995.13   934.041  15690.79   939.582  171.517 5.0279  169.867 5.1069  1.650269       7.166618  
1 1 1 -11 51  14 o 190.838 3.8270  19778.13   791.021  19710.85   1119.34  19845.24   1118.01  190.243 5.4323  190.895 5.4073  -0.6523590     7.664763  
1 1 1 -11 51  15 o 281.340 5.0336  43115.02   1533.84  40799.87   2167.62  45436.81   2170.74  272.795 7.3363  288.057 6.9576  -15.26193      10.11085  
1 1 1 -11 51  16 o 183.690 3.7440  18345.03   744.896  18014.75   1056.06  18672.05   1050.84  181.653 5.3676  184.971 5.2452  -3.317795      7.504869  
1 1 1 -11 51  17 o 76.184  3.0426  3152.98    251.062  3094.59    355.706  3210.95    354.408  75.223  4.3849  76.646  4.2864  -1.422340      6.131881  
1 1 1 -11 51  18 o 112.090 3.0414  6828.94    369.243  7278.08    542.261  6440.67    504.191  115.501 4.3346  108.662 4.2840  6.838417       6.094383  
1 1 1 -11 51  19 o 81.896  3.1478  3648.46    279.221  3574.86    411.785  3711.10    379.897  80.706  4.7315  82.334  4.2748  -1.627769      6.376571  
1 1 1 -11 51  20 o 70.648  3.3352  2719.02    255.206  2971.63    385.167  2521.33    340.735  73.458  4.8687  67.684  4.6766  5.774223       6.750919  
1 1 1 -11 51  21 o 31.754  1.0901  546.451    37.492   687.843    53.384   408.846    52.665   35.618  1.3838  27.392  1.7849  8.226194       2.258458  
1 1 1 -11 51  22 o 88.032  3.0073  4223.93    286.736  4609.75    487.736  4020.16    354.459  91.340  4.9485  85.715  3.8180  5.625053       6.250238  
1 1 1 -11 51  23 o 17.313  6.8474  100.156    190.238  -24.2372   436.032  129.402    211.421  22.093  9.6456  18.630  7.2634  3.463289       12.07453  
1 1 1 -11 51  24 o 103.740 3.2625  5889.06    366.575  6394.16    742.640  5726.35    421.504  106.317 6.4801  102.104 3.8114  4.213211       7.517900  
1 1 1 -11 51  25 o 79.238  3.4829  3446.16    298.912  3078.07    610.837  3562.05    342.754  72.574  7.8985  80.411  3.9355  -7.837212      8.824647  
1 1 1 -11 51  26 o 16.535  6.9739  40.455     213.695  85.496     450.581  27.383     242.731  23.107  9.9472  17.210  7.3520  5.896690       12.36931  
1 1 1 -11 51  27 o 45.433  5.1086  1187.16    247.027  2195.41    517.740  889.983    281.085  59.485  8.2587  38.274  7.0399  21.21115       10.85202  
1 1 1 -11 51  28 o 18.705  7.4480  148.740    226.491  -648.4070  480.124  376.907    256.869  16.705  8.1481  24.572  8.2141  -7.867065      11.56991  
1 1 1 -11 51  29 o 57.318  2.8837  1822.60    178.453  1752.18    200.568  2090.14    390.944  55.979  3.3229  58.958  6.2158  -2.978710      7.048224  
1 1 1 -11 51  30 o 27.501  11.436  531.651    562.487  0.0000     0.0000   531.651    562.487  ?       ?       27.501  11.436  0.000000       11.43638  
1 1 1 -11 51  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 52  1  o 166.205 3.4258  14973.60   616.707  14205.64   871.489  15743.92   872.823  161.805 4.9728  170.357 4.7304  -8.551071      6.863315  
1 1 1 -11 52  2  o 298.111 5.3917  48237.09   1740.89  46971.64   2461.75  49503.04   2462.24  293.823 7.7355  301.673 7.5357  -7.849182      10.79928  
1 1 1 -11 52  3  o 241.723 4.4900  31693.35   1175.54  31084.32   1661.76  32303.41   1663.18  239.192 6.4143  243.851 6.2971  -4.659592      8.988742  
1 1 1 -11 52  4  o 154.438 3.4538  12929.07   577.731  12724.21   786.614  13169.00   851.280  153.145 4.7423  155.780 5.0453  -2.635117      6.924228  
1 1 1 -11 52  5  o 140.375 3.1458  10680.17   478.285  10507.99   673.344  10855.50   679.494  139.181 4.4667  141.465 4.4347  -2.284409      6.294288  
1 1 1 -11 52  6  o 96.235  2.8575  5018.90    297.848  4617.44    417.719  5434.12    424.812  92.268  4.1798  100.105 3.9180  -7.836823      5.729067  
1 1 1 -11 52  7  o 62.669  2.4802  2128.04    168.350  2267.54    291.588  2058.29    206.188  64.521  4.1953  61.546  3.1031  2.975887       5.218201  
1 1 1 -11 52  8  o 315.385 6.3944  54074.02   2184.29  49477.34   3782.63  56373.58   2675.44  300.359 11.627  321.750 7.6773  -21.39026      13.93330  
1 1 1 -11 52  9  o 95.308  3.3781  4925.08    348.717  5152.57    426.642  4467.21    605.266  97.460  4.0417  90.432  6.2173  7.027802       7.415514  
1 1 1 -11 52  10 o 161.775 3.4305  14191.76   601.093  13896.72   846.162  14492.31   854.039  159.976 4.8835  163.373 4.8264  -3.397263      6.866057  
1 1 1 -11 52  11 o 133.242 3.1563  9626.49    455.502  9590.53    637.128  9664.08    651.465  132.912 4.4258  133.414 4.5084  -0.5024261     6.317677  
1 1 1 -11 52  12 o 276.603 5.0113  41585.51   1501.34  42037.69   2122.21  41132.48   2124.22  277.605 7.0581  274.576 7.1428  3.029083       10.04172  
1 1 1 -11 52  13 o 175.018 3.6338  16626.37   688.826  16442.18   974.136  16810.56   974.159  173.843 5.1736  175.788 5.1165  -1.945541      7.276291  
1 1 1 -11 52  14 o 21.421  6.4060  253.239    160.135  198.952    219.572  314.923    234.053  20.892  7.5551  24.287  7.8255  -3.394976      10.87745  
1 1 1 -11 52  15 o 79.221  3.0087  3406.43    258.159  3246.65    361.396  3572.92    368.904  77.126  4.3440  80.936  4.2229  -3.810875      6.058278  
1 1 1 -11 52  16 o 119.053 3.0680  7697.62    395.606  7535.25    558.708  7860.88    560.237  117.617 4.3858  120.144 4.3053  -2.527168      6.145761  
1 1 1 -11 52  17 o 88.410  3.1358  4247.75    300.275  4239.54    435.286  4255.21    414.764  88.034  4.5809  88.348  4.3345  -0.3132629     6.306549  
1 1 1 -11 52  18 o 78.894  2.7867  3381.46    238.127  3314.51    307.550  3481.69    376.275  78.022  3.6394  79.754  4.3726  -1.731674      5.688999  
1 1 1 -11 52  19 o 108.584 3.0874  6413.86    363.106  6356.67    521.570  6467.64    505.810  107.835 4.4656  108.811 4.2918  -0.9758682     6.193674  
1 1 1 -11 52  20 o 68.536  3.4576  2566.85    255.838  2595.60    396.965  2546.43    334.596  68.483  5.3955  68.035  4.5671  0.4479752      7.068962  
1 1 1 -11 52  21 o 124.894 3.2200  8502.33    435.582  8828.15    634.501  8211.92    599.039  126.833 4.6188  122.360 4.5201  4.472549       6.462537  
1 1 1 -11 52  22 o 58.832  2.6790  1884.37    170.709  1750.04    202.118  2218.65    318.845  56.523  3.3160  63.331  4.6814  -6.808784      5.736897  
1 1 1 -11 52  23 o 80.521  3.3075  3544.39    288.458  3033.08    606.635  3693.77    327.901  72.585  7.8409  82.108  3.6871  -9.522636      8.664531  
1 1 1 -11 52  24 o 51.472  4.3392  1471.56    239.656  1510.02    513.046  1460.83    271.045  49.759  9.8680  51.089  4.9608  -1.330097      11.04477  
1 1 1 -11 52  25 o 45.047  2.4900  1110.22    121.019  1035.33    134.840  1420.39    274.410  43.420  2.8836  50.214  5.1170  -6.793968      5.873549  
1 1 1 -11 52  26 o 33.861  1.8707  626.136    68.340   626.741    70.829   617.979    260.081  33.867  1.9390  31.809  7.6439  2.057743       7.886020  
1 1 1 -11 52  27 o 68.607  2.7268  2588.32    202.625  2684.99    260.626  2440.61    322.168  69.555  3.4596  65.593  4.5632  3.962425       5.726374  
1 1 1 -11 52  28 o 29.343  2.3173  474.978    73.047   450.892    75.833   784.782    271.967  28.547  2.4772  35.418  7.3312  -6.870689      7.738379  
1 1 1 -11 52  29 o 30.836  9.8204  674.530    369.410  595.260    522.562  753.716    522.287  28.928  11.378  31.383  11.604  -2.455297      16.25138  
1 1 1 -11 52  30 o 27.456  11.144  542.042    517.407  0.0000     0.0000   542.042    517.407  ?       ?       27.456  11.144  0.000000       11.14365  
1 1 1 -11 52  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 53  1  o 151.550 3.1389  12448.06   515.232  12960.89   729.126  11936.58   728.171  154.583 4.3548  148.340 4.5322  6.243652       6.285296  
1 1 1 -11 53  2  o 195.288 3.7582  20677.29   794.917  20738.94   1123.32  20615.44   1125.04  195.468 5.3059  194.883 5.3300  0.5848846      7.520729  
1 1 1 -11 53  3  o 218.221 3.9916  25822.85   943.439  25912.47   1333.48  25733.03   1334.97  218.456 5.6358  217.696 5.6618  0.7603302      7.988579  
1 1 1 -11 53  4  o 172.313 3.5372  16096.70   660.149  15603.22   933.123  16591.17   934.062  169.556 5.0811  174.852 4.9321  -5.296539      7.081194  
1 1 1 -11 53  5  o 91.279  2.6753  4514.95    264.489  4449.52    393.146  4569.05    357.480  90.581  4.0073  91.802  3.5953  -1.221046      5.383689  
1 1 1 -11 53  6  o 309.651 5.7618  52079.08   1932.43  50502.23   2968.38  53238.89   2545.77  304.282 9.0069  312.758 7.5152  -8.475616      11.73038  
1 1 1 -11 53  7  o 298.222 5.6257  48305.36   1817.14  49080.04   2395.14  47254.73   2789.30  300.289 7.3641  294.349 8.7491  5.940613       11.43578  
1 1 1 -11 53  8  o 82.452  3.3350  3685.78    297.832  3265.28    512.381  3900.36    366.018  77.257  6.1749  84.798  3.9852  -7.540443      7.349177  
1 1 1 -11 53  9  f 270.300 5.5257  39698.59   1617.72  38578.65   1979.01  41954.13   2808.49  266.221 6.8633  277.016 9.3605  -10.79483      11.60707  
1 1 1 -11 53  10 f 47.020  3.4728  1205.56    175.611  1069.91    241.224  1358.52    256.150  44.081  5.1495  49.786  4.8101  -5.705704      7.046616  
1 1 1 -11 53  11 o 91.174  2.9354  4507.04    289.868  4518.14    398.842  4494.61    422.009  91.238  4.0360  90.988  4.2822  0.2505646      5.884460  
1 1 1 -11 53  12 o 312.358 5.9715  53136.12   2020.24  51808.66   2658.75  54949.58   3107.57  307.755 7.9763  316.486 9.0656  -8.731506      12.07505  
1 1 1 -11 53  13 o 256.989 4.6903  35914.27   1305.52  35612.35   1844.23  36217.52   1848.34  255.368 6.6677  257.542 6.6262  -2.173950      9.400256  
1 1 1 -11 53  14 o 38.274  2.0090  796.211    82.991   1032.88    242.978  764.953    88.302   43.219  5.3018  37.500  2.1835  5.719189       5.733834  
1 1 1 -11 53  15 o 61.516  3.2374  2060.83    214.943  2113.27    301.115  2006.34    306.920  62.137  4.5047  60.505  4.7208  1.632557       6.525214  
1 1 1 -11 53  16 o 121.428 3.1586  8010.75    415.412  7485.50    586.143  8540.82    588.828  117.166 4.6188  125.203 4.3421  -8.036652      6.339384  
1 1 1 -11 53  17 o 32.806  1.4806  583.316    52.610   326.207    271.020  593.383    53.630   24.990  8.4369  33.088  1.4965  -8.097273      8.568556  
1 1 1 -11 53  18 o 52.322  3.8415  1499.66    216.178  1700.66    313.563  1317.57    298.440  55.470  5.2830  48.656  5.7759  6.813774       7.827524  
1 1 1 -11 53  19 o 91.727  3.1665  4579.22    314.589  4545.54    454.936  4610.08    435.492  91.019  4.6300  91.829  4.3786  -0.8092651     6.372495  
1 1 1 -11 53  20 o 77.156  3.2407  3243.05    270.817  3178.49    405.799  3294.89    363.645  75.929  4.9617  77.469  4.3515  -1.539993      6.599527  
1 1 1 -11 53  21 o 53.574  2.4583  1560.50    142.647  1539.27    162.397  1632.21    298.454  53.099  2.8340  54.198  5.1459  -1.099430      5.874650  
1 1 1 -11 53  22 o 30.470  6.8486  540.229    220.519  212.025    377.983  709.580    271.515  24.230  9.6301  34.858  7.4193  -10.62725      12.15670  
1 1 1 -11 53  23 o 36.032  1.7684  705.060    69.015   713.700    72.287   616.042    232.024  36.200  1.8498  32.504  6.8087  3.696373       7.055523  
1 1 1 -11 53  24 o 100.748 3.2151  5554.71    350.832  5967.50    729.209  5430.38    400.192  102.537 6.6011  99.440  3.7157  3.096947       7.574965  
1 1 1 -11 53  25 o 74.058  2.8598  3000.07    229.387  3665.21    598.987  2885.76    248.318  79.636  7.0161  72.553  3.1600  7.083244       7.694864  
1 1 1 -11 53  26 o 31.776  6.9050  608.640    230.855  821.775    491.912  548.440    261.432  34.962  11.353  29.770  7.9558  5.192263       13.86291  
1 1 1 -11 53  27 o 33.897  6.7277  700.276    238.286  1060.61    506.831  598.027    269.987  38.374  11.379  30.619  8.0387  7.755037       13.93173  
1 1 1 -11 53  28 o 28.680  7.5987  524.978    239.820  997.529    508.338  389.692    271.992  36.525  11.508  24.863  8.4517  11.66189       14.27819  
1 1 1 -11 53  29 o 21.761  9.0941  206.135    358.173  394.575    509.434  21.927     503.680  25.981  10.851  21.760  9.8705  4.221342       14.66848  
1 1 1 -11 53  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 54  1  o 190.154 3.6717  19604.11   756.214  20388.80   1070.41  18822.22   1068.49  193.819 5.0990  186.207 5.2979  7.611221       7.353054  
1 1 1 -11 54  2  o 260.773 4.8971  36902.16   1383.16  38184.96   1831.46  35199.17   2110.20  265.078 6.3790  254.309 7.6611  10.76898       9.969167  
1 1 1 -11 54  3  o 244.423 4.5381  32411.01   1201.40  32759.13   1698.83  32062.72   1699.24  245.519 6.3884  242.886 6.4592  2.633179       9.084805  
1 1 1 -11 54  4  o 262.618 4.8348  37426.13   1375.21  35400.39   1943.95  39455.62   1945.74  255.122 7.0350  269.398 6.6684  -14.27522      9.693254  
1 1 1 -11 54  5  o 189.390 3.7513  19449.02   769.489  19172.26   1086.23  19727.82   1090.22  187.917 5.3369  190.625 5.2804  -2.708313      7.507646  
1 1 1 -11 54  6  o 113.342 2.8346  6962.23    347.976  6353.13    492.790  7568.00    491.439  108.222 4.2041  118.133 3.8408  -9.911018      5.694447  
1 1 1 -11 54  7  o 152.676 3.3836  12637.97   559.533  13203.39   764.468  11985.57   821.170  155.984 4.5249  148.575 5.1029  7.408752       6.820141  
1 1 1 -11 54  8  o 323.918 6.5344  57080.56   2292.51  49443.14   3968.24  60906.51   2808.63  299.774 12.222  334.287 7.7572  -34.51321      14.47568  
1 1 1 -11 54  9  o 138.503 3.1506  10400.57   472.629  10414.94   667.865  10386.16   668.932  138.519 4.4515  138.326 4.4649  0.1924896      6.304851  
1 1 1 -11 54  10 o 109.503 2.9411  6501.00    348.828  6613.15    490.691  6386.40    495.984  110.385 4.1042  108.469 4.2217  1.915855       5.887922  
1 1 1 -11 54  11 o 174.234 3.5904  16471.39   677.557  16230.10   952.790  16718.24   963.723  172.787 5.0912  175.368 5.0738  -2.581406      7.187711  
1 1 1 -11 54  12 o 215.537 4.3371  25240.68   1012.50  25114.92   1347.57  25403.71   1534.33  214.725 5.7943  215.779 6.5651  -1.053467      8.756348  
1 1 1 -11 54  13 o 224.880 4.2466  27487.42   1034.33  27453.27   1461.24  27521.71   1464.29  224.327 6.0141  224.605 6.0192  -0.2780304     8.508813  
1 1 1 -11 54  14 o 101.220 2.9654  5560.32    325.102  5355.68    455.872  5772.10    463.757  99.229  4.2416  103.024 4.1561  -3.794510      5.938385  
1 1 1 -11 54  15 o 143.252 3.3863  11150.26   525.414  10651.24   720.493  11717.06   767.862  139.784 4.7589  146.595 4.8361  -6.811386      6.784870  
1 1 1 -11 54  16 o 138.272 3.2696  10391.58   489.667  10521.50   676.613  10248.71   709.547  138.909 4.4972  137.036 4.7805  1.873337       6.563379  
1 1 1 -11 54  17 o 42.620  4.5329  1002.51    206.034  1094.22    310.200  930.109    275.611  44.091  6.7070  40.632  6.4803  3.458897       9.326239  
1 1 1 -11 54  18 o 98.406  3.1623  5267.53    337.047  5671.12    493.574  4914.90    461.367  101.881 4.4729  94.842  4.4914  7.039139       6.338709  
1 1 1 -11 54  19 o 21.874  6.5883  267.661    168.935  423.721    279.564  177.897    212.024  27.444  8.5161  19.996  7.3934  7.447941       11.27769  
1 1 1 -11 54  20 f 41.607  4.7288  961.500    209.315  881.768    322.003  1019.84    275.450  39.001  7.8938  42.514  6.1614  -3.513824      10.01372  
1 1 1 -11 54  21 o 50.577  4.0123  1409.03    217.990  1747.23    335.914  1162.98    286.514  55.937  5.6205  45.431  5.9670  10.50565       8.197233  
1 1 1 -11 54  22 o 22.219  7.5067  264.635    214.555  118.086    349.632  353.158    271.736  22.021  9.0744  25.310  8.4485  -3.289284      12.39847  
1 1 1 -11 54  23 f 82.041  3.3268  3682.56    295.615  3412.69    614.383  3763.87    337.216  77.117  7.4483  82.825  3.7590  -5.708420      8.343139  
1 1 1 -11 54  24 o 43.408  2.2118  1028.24    103.642  1016.49    113.833  1085.22    250.600  43.122  2.4474  43.807  5.3957  -0.6850090     5.924806  
1 1 1 -11 54  25 o 95.034  3.2428  4957.80    333.789  6020.12    698.854  4643.84    379.926  102.646 6.3167  91.735  3.8238  10.91056       7.383869  
1 1 1 -11 54  26 o 15.007  6.6721  -46.7477   217.681  -262.8129  468.903  12.610     245.770  19.545  9.1003  16.889  7.3083  2.655363       11.67163  
1 1 1 -11 54  27 o 63.845  4.0499  2293.62    278.603  2760.03    582.787  2155.46    317.197  66.360  8.2892  61.418  4.8067  4.942192       9.581970  
1 1 1 -11 54  28 o 33.492  8.0491  726.747    288.357  746.806    516.595  717.669    347.538  31.802  11.575  32.404  9.3708  -0.6020069     14.89270  
1 1 1 -11 54  29 f 28.461  9.8291  572.570    368.227  654.515    523.202  492.143    518.334  29.570  11.455  27.232  11.115  2.338106       15.96105  
1 1 1 -11 54  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 55  1  o 54.840  2.8245  1634.13    167.198  1560.92    238.031  1705.44    234.908  53.487  4.1411  55.945  3.9012  -2.457455      5.689259  
1 1 1 -11 55  2  o 219.878 4.1578  26221.72   990.189  26325.99   1399.96  26117.33   1400.72  220.148 5.8712  219.271 5.8979  0.8771973      8.322080  
1 1 1 -11 55  3  o 399.041 7.3719  86650.63   3186.16  85868.04   4178.30  87737.94   4925.03  396.527 9.7287  400.214 11.362  -3.686096      14.95789  
1 1 1 -11 55  4  o 293.967 5.3441  46920.84   1701.56  45906.62   2405.37  47936.75   2407.37  290.378 7.6480  296.762 7.4897  -6.383484      10.70456  
1 1 1 -11 55  5  o 278.370 5.0003  42064.21   1507.61  42952.85   2132.25  41175.84   2131.92  280.974 7.0065  275.074 7.1557  5.900940       10.01474  
1 1 1 -11 55  6  o 242.852 4.5005  32003.89   1183.77  31794.73   1672.90  32213.65   1675.32  241.809 6.3875  243.402 6.3548  -1.592834      9.010195  
1 1 1 -11 55  7  o 57.040  3.0100  1768.59    185.298  1751.32    267.750  1784.47    256.703  56.639  4.3991  57.199  4.1723  -0.5593681     6.063018  
1 1 1 -11 55  8  o 265.467 6.8105  38366.47   1958.22  38114.36   2766.94  38619.46   2771.75  263.886 9.6808  265.643 9.6335  -1.756470      13.65736  
1 1 1 -11 55  9  f 118.406 2.9934  7601.03    383.884  7715.75    542.614  7486.08    543.175  119.231 4.2018  117.438 4.2703  1.792274       5.990863  
1 1 1 -11 55  10 o 23.874  5.8035  322.517    148.605  380.323    210.352  264.922    209.967  26.021  7.2132  22.545  7.4218  3.476294       10.34956  
1 1 1 -11 55  11 o 156.108 3.3848  13222.00   572.305  13672.68   805.880  12763.45   812.889  158.611 4.6910  153.222 4.8982  5.389099       6.782211  
1 1 1 -11 55  12 o 99.311  2.9285  5349.78    315.001  5333.95    441.437  5366.20    449.635  99.086  4.1133  99.380  4.1773  -0.2940369     5.862480  
1 1 1 -11 55  13 o 17.002  6.1207  132.300    143.891  162.005    199.517  100.104    207.717  19.415  7.1733  18.128  7.1597  1.287056       10.13498  
1 1 1 -11 55  14 o 141.408 3.2490  10859.13   497.610  10874.84   700.989  10843.17   706.496  141.317 4.5798  141.104 4.6228  0.2132874      6.507271  
1 1 1 -11 55  15 o 136.144 3.2473  10070.78   478.837  9892.48    683.392  10242.73   671.131  134.695 4.6843  137.091 4.5199  -2.395859      6.509397  
1 1 1 -11 55  16 o 64.079  3.3811  2238.96    233.832  2030.69    348.682  2409.17    315.220  60.694  5.3591  66.323  4.4133  -5.628834      6.942449  
1 1 1 -11 55  17 o 102.959 3.1172  5763.27    347.621  5759.86    503.120  5766.39    480.855  102.707 4.5227  102.803 4.3186  -0.9537506E-01 6.253407  
1 1 1 -11 55  18 o 140.053 3.3309  10677.39   505.267  11673.38   717.695  9698.64    711.455  146.119 4.5349  133.071 4.9362  13.04813       6.703073  
1 1 1 -11 55  19 o 45.614  4.2535  1147.22    207.717  890.367    302.098  1377.55    286.071  39.395  7.3504  49.772  5.3929  -10.37677      9.116559  
1 1 1 -11 55  20 o 98.100  3.1711  5243.52    336.937  5439.08    489.606  5067.59    464.395  99.597  4.5387  96.156  4.4590  3.440681       6.362598  
1 1 1 -11 55  21 o 99.865  3.1799  5439.62    343.955  5606.94    509.181  5299.20    466.473  100.978 4.6556  98.253  4.3834  2.725662       6.394422  
1 1 1 -11 55  22 o 52.004  4.5574  1500.41    254.107  1417.19    410.219  1552.23    323.686  49.364  7.9417  52.527  5.7854  -3.162296      9.825580  
1 1 1 -11 55  23 o 34.758  5.8180  691.765    211.287  925.102    462.907  630.361    237.466  38.600  10.700  32.821  6.8991  5.779331       12.73175  
1 1 1 -11 55  24 o 91.460  3.2596  4582.60    322.899  5466.54    675.727  4321.03    367.582  98.123  6.3931  88.618  3.8297  9.504875       7.452358  
1 1 1 -11 55  25 o 82.401  3.3663  3735.00    300.440  4461.87    635.623  3525.89    340.930  87.837  6.7324  79.832  3.9429  8.005554       7.802018  
1 1 1 -11 55  26 o 20.295  7.4871  214.580    217.188  164.918    475.211  227.693    244.183  23.957  10.262  21.065  7.9053  2.892330       12.95396  
1 1 1 -11 55  27 o 57.318  4.3918  1863.94    270.573  2276.91    557.844  1736.91    309.405  59.517  8.9292  54.772  5.2809  4.744831       10.37393  
1 1 1 -11 55  28 o 16.871  7.8144  -161.2888  338.868  -169.6923  479.819  -152.9263  478.646  19.905  9.2472  20.028  9.2805  -0.1229763     13.10106  
1 1 1 -11 55  29 o 26.561  9.7095  482.492    364.063  380.777    514.944  584.144    514.783  25.675  10.827  28.426  11.257  -2.750301      15.61888  
1 1 1 -11 55  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 56  1  o 119.047 2.8478  7680.69    367.190  7706.06    519.951  7655.43    518.623  119.198 4.0274  118.806 4.0304  0.3923645      5.697680  
1 1 1 -11 56  2  o 230.142 4.4483  28736.39   1108.82  28149.50   1567.80  29323.77   1568.43  227.561 6.3609  232.276 6.2344  -4.715118      8.906672  
1 1 1 -11 56  3  o 98.853  2.8846  5296.21    308.850  5299.19    435.002  5293.19    438.581  98.843  4.0633  98.785  4.0991  0.5735016E-01  5.771721  
1 1 1 -11 56  4  o 411.408 7.0571  92108.02   3144.62  90940.76   4446.50  93275.97   4447.82  407.771 10.068  413.023 9.9427  -5.252380      14.14978  
1 1 1 -11 56  5  o 414.732 7.1596  93634.67   3216.10  93728.34   4547.71  93540.96   4548.80  413.858 10.145  413.439 10.158  0.4193115      14.35682  
1 1 1 -11 56  6  f 135.589 3.1546  9966.55    463.280  9840.32    654.287  10093.46   656.070  134.654 4.4862  136.378 4.4416  -1.723907      6.312945  
1 1 1 -11 56  7  o 42.176  3.5332  971.440    159.915  930.498    227.223  1011.62    225.100  41.060  5.2280  42.880  4.9369  -1.820511      7.190559  
1 1 1 -11 56  8  o 231.564 6.1276  29173.31   1536.86  28948.03   2170.97  29399.62   2175.94  230.128 8.7099  231.928 8.6621  -1.799820      12.28390  
1 1 1 -11 56  9  o 58.901  3.0893  1886.42    196.395  1799.87    265.783  1990.51    291.481  57.417  4.3051  60.378  4.4893  -2.960754      6.219966  
1 1 1 -11 56  10 o 117.020 2.9952  7426.11    379.626  7251.89    536.196  7601.21    537.551  115.556 4.2841  118.313 4.1948  -2.757240      5.995856  
1 1 1 -11 56  11 o 124.210 3.0869  8369.25    415.293  8340.28    582.742  8399.15    591.994  123.892 4.3427  124.323 4.3964  -0.4313354     6.179605  
1 1 1 -11 56  12 o 262.313 4.8026  37439.07   1364.48  38297.21   1928.51  36578.85   1930.83  264.705 6.7265  258.639 6.8926  6.065979       9.630840  
1 1 1 -11 56  13 o 151.434 3.3201  12452.17   544.559  12424.92   768.053  12479.72   772.210  151.068 4.6941  151.398 4.7092  -0.3301849     6.649088  
1 1 1 -11 56  14 o 198.384 3.9237  21406.73   843.092  20950.46   1191.67  21863.98   1192.96  195.810 5.6189  200.069 5.5052  -4.259201      7.866344  
1 1 1 -11 56  15 o 139.473 3.2333  10570.86   488.432  10429.58   689.033  10713.54   692.474  138.295 4.6001  140.173 4.5611  -1.878204      6.477982  
1 1 1 -11 56  16 o 73.096  3.1939  2904.59    252.859  2894.69    374.748  2912.85    342.602  72.644  4.7897  72.953  4.3558  -0.3083420     6.474126  
1 1 1 -11 56  17 o 79.657  3.3261  3452.39    286.967  3871.85    423.126  3095.13    390.500  84.042  4.6667  75.079  4.8277  8.962776       6.714538  
1 1 1 -11 56  18 f 132.204 3.2866  9515.66    470.605  9763.61    681.208  9289.28    650.898  133.544 4.7096  130.288 4.6125  3.255478       6.592112  
1 1 1 -11 56  19 o 70.356  3.3753  2697.59    257.211  2981.39    376.654  2449.60    352.088  73.592  4.7508  66.638  4.9128  6.953873       6.834167  
1 1 1 -11 56  20 o 31.279  1.8475  532.845    62.313   661.755    306.170  527.274    63.645   33.567  8.4324  31.110  1.8979  2.456842       8.643303  
1 1 1 -11 56  21 o 130.483 3.3016  9295.26    466.608  9704.96    687.088  8944.59    635.674  132.743 4.7789  127.514 4.6026  5.228889       6.634941  
1 1 1 -11 56  22 o 46.249  4.8929  1194.39    241.376  803.317    378.717  1461.92    313.243  36.462  9.4958  50.935  5.7803  -14.47379      11.11675  
1 1 1 -11 56  23 o 32.817  7.1571  633.575    247.225  1173.54    458.136  411.735    293.651  43.770  9.8960  26.819  8.7746  16.95133       13.22591  
1 1 1 -11 56  24 o 35.050  5.9108  708.608    216.408  788.171    473.246  687.571    243.341  35.376  11.097  34.202  6.8082  1.173695       13.01902  
1 1 1 -11 56  25 o 64.074  3.7694  2278.36    260.443  2366.73    562.748  2254.27    293.802  62.367  8.5564  63.506  4.2967  -1.138851      9.574590  
1 1 1 -11 56  26 o 47.450  5.0242  1292.52    254.281  1200.77    519.473  1321.43    291.604  41.290  11.291  47.561  5.7794  -6.271721      12.68423  
1 1 1 -11 56  27 o 31.699  1.7683  549.633    60.470   551.622    60.910   413.697    503.520  31.754  1.7781  27.060  10.990  4.694613       11.13248  
1 1 1 -11 56  28 o 26.548  1.2630  383.249    36.316   521.130    51.114   242.698    51.607   30.928  1.5259  20.902  2.3186  10.02569       2.775609  
1 1 1 -11 56  29 o 36.446  2.1718  731.805    85.343   727.970    86.480   874.737    527.984  36.340  2.2076  32.871  11.736  3.468853       11.94169  
1 1 1 -11 56  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 57  1  f 205.784 4.2319  22974.12   943.228  23704.99   1424.23  22403.11   1258.88  208.805 6.2975  203.060 5.7238  5.745148       8.510039  
1 1 1 -11 57  2  o 41.765  3.1212  950.842    140.170  972.847    199.611  929.437    196.877  42.109  4.4437  41.143  4.4910  0.9665298      6.317863  
1 1 1 -11 57  3  o 463.300 7.7463  116952.10  3887.08  114272.00  5496.77  119633.10  5497.56  456.495 11.117  467.211 10.864  -10.71634      15.54416  
1 1 1 -11 57  4  o 341.433 6.0129  63370.00   2223.61  61347.18   3143.93  65394.70   3145.39  335.265 8.6579  346.231 8.3876  -10.96576      12.05453  
1 1 1 -11 57  5  o 342.506 5.8503  63764.69   2170.30  61026.02   3068.35  66506.63   3070.19  334.394 8.4718  349.197 8.1175  -14.80295      11.73311  
1 1 1 -11 57  6  o 128.699 3.1269  8979.95    435.867  8719.20    606.299  9258.86    627.044  126.746 4.4165  130.609 4.4326  -3.862434      6.257274  
1 1 1 -11 57  7  o 100.627 2.8519  5489.06    310.823  5648.19    439.675  5330.08    439.467  102.027 3.9788  99.106  4.0941  2.920372       5.708934  
1 1 1 -11 57  8  o 92.686  3.3014  4659.14    331.427  4580.67    402.122  4825.36    585.243  91.869  4.0413  94.009  5.7757  -2.140106      7.049146  
1 1 1 -11 57  9  o 183.540 3.6788  18279.90   731.309  17988.51   1031.97  18573.86   1036.50  181.883 5.2385  184.828 5.1776  -2.944260      7.365418  
1 1 1 -11 57  10 o 23.192  5.7717  304.455    144.405  57.843     203.550  554.335    204.895  17.063  6.9650  31.344  6.2545  -14.28076      9.361150  
1 1 1 -11 57  11 o 43.022  3.8120  1012.99    175.787  1276.69    240.355  709.718    257.757  48.231  4.6591  35.434  6.9645  12.79691       8.379237  
1 1 1 -11 57  12 o 25.093  5.4953  356.570    145.215  302.088    197.844  420.203    213.814  23.441  7.1454  27.211  7.1585  -3.769905      10.11437  
1 1 1 -11 57  13 o 156.654 3.3965  13330.16   576.302  13079.96   812.661  13583.28   817.388  154.937 4.8427  157.902 4.7794  -2.965332      6.803958  
1 1 1 -11 57  14 o 48.135  3.6145  1266.79    187.068  1518.32    264.229  1014.01    264.881  52.568  4.6900  42.656  5.8903  9.912109       7.529412  
1 1 1 -11 57  15 o 94.447  3.1167  4847.12    318.829  5132.66    470.765  4605.18    433.341  97.015  4.4802  91.913  4.3530  5.102318       6.246627  
1 1 1 -11 57  16 o 139.002 3.2866  10507.67   494.815  10524.02   706.129  10491.90   693.589  138.808 4.6968  138.615 4.6198  0.1927795      6.588020  
1 1 1 -11 57  17 o 91.951  3.1055  4598.44    309.284  4766.57    455.720  4454.88    421.115  93.397  4.5050  90.327  4.3044  3.070160       6.230810  
1 1 1 -11 57  18 o 88.802  2.8237  4287.98    271.587  4584.90    435.351  4098.81    347.495  91.562  4.3899  86.695  3.7007  4.867004       5.741653  
1 1 1 -11 57  19 o 133.082 3.2618  9650.09    470.159  9632.50    673.713  9666.79    656.434  132.530 4.6934  132.811 4.5634  -0.2810974     6.546188  
1 1 1 -11 57  20 o 58.206  3.7558  1859.43    235.511  2003.84    348.407  1737.92    319.583  60.015  5.4183  55.879  5.3456  4.135841       7.611403  
1 1 1 -11 57  21 o 56.054  2.4342  1709.40    147.788  1788.93    356.309  1692.87    162.418  56.433  5.9174  55.755  2.6896  0.6785583      6.499957  
1 1 1 -11 57  22 o 49.392  4.6757  1358.13    247.155  1359.67    384.925  1357.05    322.390  48.387  7.5949  48.867  6.2330  -0.4806595     9.825113  
1 1 1 -11 57  23 f 39.277  2.1530  841.772    91.242   1068.09    470.663  832.934    93.007   41.447  10.479  39.062  2.2073  2.384972       10.70857  
1 1 1 -11 57  24 o 17.635  7.0119  107.451    200.474  353.466    444.385  44.590     224.631  27.125  10.543  17.053  7.1689  10.07254       12.74940  
1 1 1 -11 57  25 o 16.920  7.1444  46.998     224.681  -171.5933  454.177  117.828    258.532  20.162  9.2322  19.201  7.8448  0.9612656      12.11510  
1 1 1 -11 57  26 o 13.203  6.1876  -184.8572  222.655  -270.6271  458.430  -158.3783  254.715  19.006  8.8981  14.642  6.7797  4.363104       11.18662  
1 1 1 -11 57  27 o 38.776  8.9261  990.087    367.120  1213.32    515.890  761.060    522.545  40.854  11.285  32.377  11.663  8.477016       16.22904  
1 1 1 -11 57  28 o 21.491  8.9717  190.732    348.063  475.081    488.508  -102.4630  496.049  27.174  10.898  20.644  9.5243  6.529709       14.47362  
1 1 1 -11 57  29 o 16.308  7.6597  -205.6262  344.335  -78.7703   483.066  -336.6606  490.957  20.290  9.3742  18.415  8.7931  1.874716       12.85279  
1 1 1 -11 57  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 58  1  o 61.409  2.8070  2043.91    186.697  2051.31    266.459  2036.77    261.665  61.361  4.0318  61.147  3.9725  0.2134514      5.659989  
1 1 1 -11 58  2  o 255.464 4.9480  35434.91   1369.09  34669.29   2089.02  36011.35   1812.64  252.233 7.6466  257.289 6.5046  -5.056107      10.03896  
1 1 1 -11 58  3  o 211.628 4.1436  24299.46   949.781  23858.63   1342.77  24740.83   1343.61  209.498 5.9177  213.350 5.8145  -3.852020      8.296234  
1 1 1 -11 58  4  o 156.190 3.3455  13227.83   565.950  12597.11   799.255  13862.09   801.497  152.316 4.8447  159.799 4.6308  -7.482819      6.701923  
1 1 1 -11 58  5  o 112.732 2.8823  6888.96    351.926  6672.76    496.285  7107.65    499.124  110.892 4.1320  114.454 4.0263  -3.562309      5.769279  
1 1 1 -11 58  6  o 267.789 4.7713  38944.78   1383.88  36937.93   1955.43  40958.55   1958.79  260.391 6.9334  274.274 6.5937  -13.88318      9.568141  
1 1 1 -11 58  7  o 59.555  3.6198  1931.22    232.384  2138.12    397.752  1824.00    286.336  62.406  5.9569  57.770  4.6147  4.636066       7.535240  
1 1 1 -11 58  8  o 131.178 3.5906  9336.38    510.154  9597.92    622.332  8800.57    890.747  132.946 4.3219  126.923 6.5014  6.023331       7.806824  
1 1 1 -11 58  9  o 20.530  6.1383  232.031    147.044  226.981    201.130  237.829    215.516  21.275  7.2677  21.867  7.5215  -0.5923004     10.45902  
1 1 1 -11 58  10 o 181.798 3.6620  17943.13   721.067  17534.46   1017.97  18354.66   1021.53  179.484 5.2365  183.651 5.1355  -4.167542      7.334472  
1 1 1 -11 58  11 o 32.525  1.9776  575.470    69.337   754.584    206.758  552.774    73.599   36.842  5.3368  31.861  2.1452  4.981045       5.751787  
1 1 1 -11 58  12 o 40.801  3.7126  911.974    162.272  844.968    223.326  986.921    236.189  38.992  5.4359  42.224  5.2800  -3.231609      7.578079  
1 1 1 -11 58  13 o 120.496 3.0643  7883.91    399.925  7556.29    555.511  8236.40    576.214  117.806 4.3537  122.998 4.3253  -5.191711      6.136997  
1 1 1 -11 58  14 o 64.225  3.0281  2240.46    210.645  2082.25    294.059  2407.21    301.890  61.656  4.4330  66.348  4.2230  -4.691998      6.122491  
1 1 1 -11 58  15 o 38.546  4.3727  820.423    179.323  809.632    255.476  830.903    251.766  37.872  6.4599  38.420  6.2662  -0.5480003     8.999785  
1 1 1 -11 58  16 o 41.399  4.5098  946.637    198.944  1349.88    308.967  661.036    260.022  49.239  5.9116  33.950  7.2891  15.28909       9.384992  
1 1 1 -11 58  17 o 79.083  3.1870  3403.13    272.981  3353.76    404.886  3444.28    369.626  78.128  4.8080  79.288  4.3204  -1.159447      6.463990  
1 1 1 -11 58  18 o 80.732  3.1857  3548.52    278.566  3590.88    406.091  3510.88    382.839  80.839  4.6577  79.984  4.4366  0.8548737      6.432525  
1 1 1 -11 58  19 o 45.868  4.3333  1162.09    212.727  1135.82    312.605  1184.74    290.314  44.760  6.6503  45.923  5.9785  -1.162628      8.942538  
1 1 1 -11 58  20 o 51.577  4.0546  1465.74    224.681  1446.25    332.396  1482.15    304.877  50.664  6.1858  51.487  5.5551  -0.8227959     8.314063  
1 1 1 -11 58  21 o 16.974  6.9766  61.931     205.997  -124.5378  351.194  159.738    254.348  18.667  8.3744  20.456  7.9692  -1.789200      11.56023  
1 1 1 -11 58  22 o 5.0786  2.2641  -10.3291   25.246   -106.8860  338.219  -9.7881    25.317   18.422  8.2445  5.1117  2.2739  13.31022       8.552355  
1 1 1 -11 58  23 o 89.355  3.8324  4389.85    370.899  4041.47    650.204  4557.90    451.577  83.881  7.2273  90.633  4.6154  -6.752029      8.575306  
1 1 1 -11 58  24 f 54.947  4.1048  1679.46    242.525  1861.12    513.878  1627.41    275.088  55.379  8.8664  53.837  4.7669  1.542049       10.06662  
1 1 1 -11 58  25 o 43.075  5.4180  1070.13    247.182  1172.58    492.407  1035.62    285.800  41.691  10.813  41.814  6.5236  -0.1230316     12.62859  
1 1 1 -11 58  26 o 14.991  7.1462  -330.2427  321.462  -745.3948  449.056  106.126    460.388  15.575  7.6555  22.778  9.9289  -7.202945      12.53750  
1 1 1 -11 58  27 o 40.575  8.6914  1075.28    370.460  1289.12    519.235  853.555    528.713  42.144  11.188  33.807  11.772  8.336723       16.24058  
1 1 1 -11 58  28 o 38.854  9.0703  1026.33    374.761  835.006    527.774  1220.91    532.238  32.715  11.728  39.681  11.632  -6.966019      16.51774  
1 1 1 -11 58  29 o 24.047  10.453  267.117    507.288  0.0000     0.0000   267.117    507.288  ?       ?       24.047  10.453  0.000000       10.45268  
1 1 1 -11 59  1  o 107.922 2.9566  6313.84    345.596  6270.68    494.593  6355.01    483.102  107.495 4.2481  108.222 4.1215  -0.7270203     5.918830  
1 1 1 -11 59  2  o 96.960  2.7005  5095.52    283.601  4563.03    385.056  5726.83    419.268  91.713  3.8764  102.750 3.7674  -11.03712      5.405487  
1 1 1 -11 59  3  o 147.823 3.3491  11849.45   536.221  11743.36   757.468  11956.02   759.198  147.062 4.7555  148.390 4.7237  -1.328186      6.702810  
1 1 1 -11 59  4  o 261.225 4.8084  37058.33   1360.46  35815.59   1922.97  38303.68   1924.99  256.422 6.9238  265.228 6.7010  -8.805847      9.635509  
1 1 1 -11 59  5  o 51.340  1.9787  1428.11    110.027  1083.93    223.739  1537.89    126.362  44.427  4.7221  53.273  2.1900  -8.846600      5.205207  
1 1 1 -11 59  6  o 104.532 2.8829  5924.21    326.406  5779.67    461.627  6068.71    461.588  103.188 4.1304  105.743 4.0303  -2.554588      5.770875  
1 1 1 -11 59  7  o 140.627 3.6980  10731.08   563.250  9844.15    973.312  11177.66   690.644  134.386 6.6869  143.459 4.4448  -9.073395      8.029430  
1 1 1 -11 59  8  o 88.690  3.2823  4267.25    315.300  4058.96    382.658  4707.69    556.447  86.457  4.0864  92.840  5.5593  -6.382980      6.899589  
1 1 1 -11 59  9  o 121.352 3.0291  7988.20    398.129  8135.03    559.299  7837.38    566.858  122.367 4.2200  120.095 4.3579  2.272301       6.066281  
1 1 1 -11 59  10 o 192.792 3.8115  20187.75   795.886  20024.22   1123.93  20352.23   1127.19  191.726 5.4124  193.296 5.3840  -1.569870      7.634178  
1 1 1 -11 59  11 o 161.297 3.5515  14130.51   620.453  13773.78   839.944  14558.93   920.480  159.043 4.8760  163.452 5.1994  -4.408905      7.128066  
1 1 1 -11 59  12 o 25.933  5.3875  380.473    146.383  453.022    202.356  300.834    212.014  28.198  6.7208  23.549  7.4334  4.648428       10.02120  
1 1 1 -11 59  13 o 89.599  2.6941  4357.17    261.450  4631.42    391.520  4136.44    351.243  92.263  3.9179  87.213  3.7184  5.049431       5.401551  
1 1 1 -11 59  14 f 37.144  4.4126  762.510    174.046  1075.78    262.017  515.134    232.836  43.985  5.6290  29.986  7.2491  13.99986       9.177984  
1 1 1 -11 59  15 o 64.711  3.2668  2282.68    228.223  2199.14    327.477  2361.56    318.233  63.268  4.8150  65.633  4.5039  -2.364208      6.593150  
1 1 1 -11 59  16 o 192.706 3.8387  20238.07   801.224  20386.01   1138.83  20093.06   1127.46  192.793 5.4538  191.409 5.4383  1.383453       7.701914  
1 1 1 -11 59  17 o 80.848  2.8153  3553.65    246.528  3831.49    431.170  3418.71    300.491  83.510  4.7869  79.214  3.5024  4.296341       5.931338  
1 1 1 -11 59  18 o 76.154  3.2907  3159.36    271.425  3238.86    413.072  3098.96    360.070  76.654  5.0027  75.113  4.4457  1.541222       6.692636  
1 1 1 -11 59  19 o 41.075  4.8464  939.384    211.456  743.541    319.921  1091.32    281.783  35.592  8.4289  43.998  6.0751  -8.405540      10.39005  
1 1 1 -11 59  20 o 101.155 3.2301  5583.46    353.895  5834.53    505.932  5342.91    495.207  103.027 4.5339  98.557  4.6390  4.470222       6.486650  
1 1 1 -11 59  21 o 46.933  4.6547  1225.56    233.495  1257.25    370.803  1204.74    300.571  46.555  7.6172  46.070  6.1793  0.4847603      9.808466  
1 1 1 -11 59  22 o 67.668  3.9504  2524.21    288.273  2898.60    426.998  2210.66    390.767  71.945  5.5218  62.658  5.8247  9.286976       8.026017  
1 1 1 -11 59  23 o 64.855  4.0534  2327.53    283.306  2613.99    430.108  2108.00    376.529  67.960  5.9018  61.044  5.7631  6.915745       8.248915  
1 1 1 -11 59  24 o 24.342  1.3680  322.741    35.921   326.336    36.265   136.038    261.349  24.477  1.3735  19.748  7.9533  4.728382       8.071015  
1 1 1 -11 59  25 o 26.878  9.5483  440.432    349.076  367.307    469.197  531.087    522.416  26.644  10.682  29.547  11.446  -2.903410      15.65650  
1 1 1 -11 59  26 o 20.027  8.6189  76.385     338.077  -55.0297   459.921  230.863    498.650  20.966  9.4784  24.810  10.567  -3.844213      14.19481  
1 1 1 -11 59  27 o 20.440  8.2228  185.948    279.032  74.071     476.641  244.281    344.171  22.297  9.8951  22.528  9.1079  -0.2314491     13.44864  
1 1 1 -11 59  28 o 39.483  9.0107  1059.63    376.839  1320.09    531.589  796.535    534.283  41.466  11.456  31.915  11.748  9.551010       16.40903  
1 1 1 -11 59  29 o 19.686  9.2004  -155.6667  486.406  0.0000     0.0000   -155.6667  486.406  ?       ?       19.686  9.2004  0.000000       9.200390  
1 1 1 -11 60  1  o 91.030  2.7261  4491.71    268.782  4720.42    381.652  4266.65    378.597  93.279  3.7776  88.675  3.9419  4.603699       5.459727  
1 1 1 -11 60  2  o 198.178 3.7454  21306.73   803.943  21278.84   1136.87  21334.63   1137.03  197.873 5.3046  198.133 5.2984  -0.2600555     7.497440  
1 1 1 -11 60  3  o 48.634  2.0294  1281.60    106.903  1285.00    121.607  1270.07    224.275  48.695  2.3057  48.175  4.3450  0.5200348      4.918883  
1 1 1 -11 60  4  o 223.198 4.1742  27040.98   1009.09  25855.35   1425.84  28230.74   1428.32  217.975 6.0394  227.813 5.7886  -9.837585      8.365558  
1 1 1 -11 60  5  o 321.123 5.6545  56092.86   1966.67  54240.73   2779.99  57948.46   2782.60  315.027 8.1475  325.710 7.8877  -10.68268      11.34007  
1 1 1 -11 60  6  o 226.825 4.2737  27938.24   1049.95  27882.76   1484.05  27993.84   1485.65  226.291 6.0550  226.742 6.0494  -0.4514160     8.559099  
1 1 1 -11 60  7  o 195.895 4.4406  20848.47   942.187  18683.77   1630.32  21934.00   1154.50  184.751 8.1473  200.793 5.3086  -16.04178      9.724167  
1 1 1 -11 60  8  o 202.234 3.9401  22209.84   863.049  21607.14   1219.83  22813.92   1221.24  199.181 5.6543  204.697 5.5083  -5.516098      7.893871  
1 1 1 -11 60  9  o 111.583 2.9485  6754.24    356.343  6498.99    503.313  7010.77    504.579  109.354 4.2494  113.592 4.1012  -4.237816      5.905718  
1 1 1 -11 60  10 o 226.962 4.2082  28005.73   1034.47  26785.85   1459.79  29236.27   1466.16  221.491 6.0850  231.473 5.8480  -9.981567      8.439607  
1 1 1 -11 60  11 o 121.022 3.0199  7950.03    395.848  7688.23    553.523  8224.07    566.324  118.873 4.2991  122.952 4.2526  -4.078842      6.047096  
1 1 1 -11 60  12 o 38.701  3.8769  822.680    160.322  846.884    212.305  790.563    244.562  39.068  5.1422  37.514  6.2380  1.553852       8.084258  
1 1 1 -11 60  13 o 82.719  2.8286  3715.12    253.421  3607.22    360.652  3820.36    356.171  81.291  4.1095  83.783  3.9249  -2.492142      5.682684  
1 1 1 -11 60  14 o 49.013  3.7078  1314.72    195.377  1566.86    277.977  1068.55    274.661  53.347  4.8644  43.757  5.9497  9.590454       7.685121  
1 1 1 -11 60  15 o 143.448 3.3562  11193.67   521.443  11404.52   752.244  10998.64   723.461  144.454 4.8080  141.886 4.7077  2.567123       6.728926  
1 1 1 -11 60  16 o 85.147  3.1419  3943.85    289.752  4021.19    428.894  3878.92    392.998  85.630  4.6417  84.167  4.3256  1.463058       6.344824  
1 1 1 -11 60  17 o 39.422  1.8203  843.021    77.724   441.884    311.815  869.596    80.257   28.190  9.0271  40.037  1.8508  -11.84677      9.214917  
1 1 1 -11 60  18 o 28.877  6.1270  477.937    185.701  308.879    285.371  602.106    244.568  24.623  8.6444  32.272  7.1819  -7.649521      11.23853  
1 1 1 -11 60  19 f 18.495  7.0516  137.852    196.118  328.402    274.999  -59.3634   279.767  24.860  8.4981  17.394  7.6564  7.466228       11.43842  
1 1 1 -11 60  20 o 21.913  7.1158  263.611    193.253  357.602    287.085  185.728    261.330  25.643  8.6832  21.214  8.1277  4.429302       11.89356  
1 1 1 -11 60  21 o 55.910  4.2698  1729.08    256.609  1720.40    389.323  1735.75    341.216  54.957  6.6778  55.552  5.7545  -0.5948830     8.815145  
1 1 1 -11 60  22 o 84.538  3.6636  3920.06    335.452  3569.63    504.629  4197.51    449.025  79.680  5.8890  86.968  4.7854  -7.287827      7.588153  
1 1 1 -11 60  23 o 35.483  6.3457  732.174    234.928  637.072    317.181  847.753    349.665  32.306  8.8180  37.259  8.8043  -4.953323      12.46088  
1 1 1 -11 60  24 o 64.249  5.8814  2370.09    404.733  2113.23    547.021  2680.80    601.625  58.592  8.8997  66.363  8.5704  -7.771091      12.35540  
1 1 1 -11 60  25 o 28.978  9.5831  541.168    349.915  549.701    467.813  530.331    527.204  29.435  10.962  29.433  11.471  0.1916885E-02  15.86717  
1 1 1 -11 60  26 o 61.955  4.1738  2165.64    278.443  2346.40    561.904  2106.81    320.570  60.600  8.8196  60.632  4.9240  -0.3154755E-01 10.10102  
1 1 1 -11 60  27 o 47.038  6.1965  1328.19    308.007  1349.65    526.243  1317.02    379.871  42.853  11.210  45.429  8.0131  -2.576557      13.77921  
1 1 1 -11 60  28 o 44.177  8.2655  1279.95    380.952  1387.09    533.453  1168.44    544.202  42.608  11.354  38.206  11.886  4.402409       16.43762  
1 1 1 -11 60  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 61  1  o 145.865 3.2591  11539.14   514.899  11893.44   729.411  11187.22   726.950  147.986 4.5507  143.513 4.6767  4.472229       6.525413  
1 1 1 -11 61  2  o 48.684  2.9610  1289.83    155.391  1300.64    224.048  1279.80    215.702  48.759  4.2860  48.378  4.1569  0.3807678      5.970743  
1 1 1 -11 61  3  o 144.562 3.2324  11334.06   506.123  10923.76   712.238  11752.59   719.346  141.811 4.6371  147.104 4.5148  -5.293060      6.471959  
1 1 1 -11 61  4  o 126.991 3.0696  8745.51    422.206  8826.46    588.656  8659.75    605.894  127.496 4.2628  126.273 4.4301  1.223129       6.147952  
1 1 1 -11 61  5  o 104.145 2.8414  5881.04    320.507  5479.45    450.630  6292.16    455.948  100.456 4.1417  107.664 3.9100  -7.207802      5.695740  
1 1 1 -11 61  6  o 47.839  3.1830  1246.92    163.986  1234.89    230.493  1259.25    233.354  47.457  4.5396  47.926  4.5501  -0.4688988     6.427393  
1 1 1 -11 61  7  o 128.119 4.3770  8919.59    607.382  8790.36    855.641  9050.85    862.335  126.967 6.2220  128.841 6.1795  -1.873550      8.769233  
1 1 1 -11 61  8  o 146.160 3.2513  11592.76   514.698  11161.45   727.297  12025.50   728.491  143.258 4.6873  148.721 4.5225  -5.463455      6.513368  
1 1 1 -11 61  9  o 113.536 2.9270  6993.70    359.939  6826.46    506.321  7164.57    511.786  112.063 4.1715  114.811 4.1156  -2.747437      5.860019  
1 1 1 -11 61  10 o 119.488 3.0156  7749.06    390.278  7840.30    549.258  7656.02    554.655  120.062 4.2238  118.632 4.3167  1.430840       6.039378  
1 1 1 -11 61  11 o 68.453  2.4767  2541.87    183.623  2577.17    302.266  2521.22    231.168  68.708  4.0800  68.140  3.1322  0.5682144      5.143703  
1 1 1 -11 61  12 o 70.743  2.8822  2717.15    220.840  2749.32    308.772  2683.46    315.982  70.961  4.0341  70.082  4.1818  0.8792725      5.810459  
1 1 1 -11 61  13 o 58.131  3.2855  1842.58    206.016  1983.16    301.843  1719.98    281.882  60.113  4.6727  55.954  4.6946  4.159798       6.623716  
1 1 1 -11 61  14 o 40.157  2.4997  878.692    108.185  1629.44    271.630  737.153    117.943  54.439  4.6514  36.712  2.9922  17.72699       5.530713  
1 1 1 -11 61  15 o 76.896  3.0954  3215.06    257.803  3538.69    370.727  2912.02    358.744  80.417  4.2717  72.871  4.5684  7.545692       6.254369  
1 1 1 -11 61  16 o 53.065  2.3383  1528.93    134.393  1748.29    318.092  1481.26    148.277  56.205  5.2874  52.147  2.6338  4.058308       5.907067  
1 1 1 -11 61  17 o 119.450 3.2129  7769.16    415.670  7690.45    608.565  7838.00    569.110  118.466 4.7429  119.697 4.3898  -1.231758      6.462597  
1 1 1 -11 61  18 o 53.992  3.9905  1602.23    231.704  1603.32    347.821  1601.35    310.675  53.490  6.1134  53.648  5.4211  -0.1572647     8.170760  
1 1 1 -11 61  19 o 149.420 3.4868  12192.24   564.299  12873.99   793.936  11496.22   802.206  152.976 4.7917  144.394 5.1294  8.581467       7.019352  
1 1 1 -11 61  20 o 42.871  4.8406  1025.60    220.830  840.121    336.111  1166.47    292.926  37.678  8.4452  45.382  6.1151  -7.704620      10.42663  
1 1 1 -11 61  21 o 53.448  4.5249  1585.82    259.485  1640.48    384.901  1540.27    351.327  53.581  6.7844  52.058  6.3634  1.522995       9.301657  
1 1 1 -11 61  22 o 31.189  7.6496  578.428    256.448  806.895    388.503  402.012    341.391  36.266  9.7012  27.017  9.4566  9.249146       13.54766  
1 1 1 -11 61  23 o 17.983  7.6392  38.082     259.391  12.056     421.591  53.936     329.044  21.777  9.4965  20.141  8.5810  1.635483       12.79909  
1 1 1 -11 61  24 o 52.533  6.8235  1629.93    379.074  1709.52    509.945  1531.64    566.722  52.005  9.3993  47.760  11.157  4.245358       14.58861  
1 1 1 -11 61  25 o 58.150  6.4363  1998.07    398.572  1659.82    537.516  2411.20    594.044  49.876  10.291  61.450  9.2091  -11.57333      13.81021  
1 1 1 -11 61  26 o 27.619  7.6972  483.897    238.861  832.337    475.379  366.214    276.269  34.020  11.166  24.440  8.5096  9.579391       14.03891  
1 1 1 -11 61  27 o 20.373  8.7064  119.572    340.623  275.155    475.237  -44.7908   488.463  24.482  10.367  21.146  9.6414  3.335457       14.15713  
1 1 1 -11 61  28 o 22.962  9.2130  292.055    349.270  216.108    489.572  370.776    498.431  23.491  10.239  25.456  10.689  -1.964554      14.80178  
1 1 1 -11 61  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 62  1  o 64.941  2.6553  2286.33    186.765  2400.78    269.202  2180.13    259.327  66.405  3.7583  63.266  3.8022  3.139538       5.346149  
1 1 1 -11 62  2  o 85.484  2.6666  3961.72    246.896  3946.22    350.288  3977.02    348.050  85.270  3.7928  85.604  3.7539  -0.3340073     5.336381  
1 1 1 -11 62  3  o 72.373  2.4200  2839.15    189.699  3024.34    307.215  2725.03    241.168  74.548  3.8176  70.881  3.1414  3.666840       4.943947  
1 1 1 -11 62  4  o 25.612  4.3559  366.225    116.510  410.918    174.253  330.090    156.684  26.934  6.1131  24.147  6.0137  2.787714       8.575231  
1 1 1 -11 62  5  o 117.490 2.9742  7486.86    378.477  7323.66    533.723  7651.93    536.786  116.112 4.2439  118.692 4.1755  -2.579597      5.953636  
1 1 1 -11 62  6  o 73.140  2.7803  2901.06    220.250  3138.47    310.504  2660.65    312.466  76.029  3.7707  69.862  4.1480  6.167259       5.605720  
1 1 1 -11 62  7  o 89.615  3.6628  4360.42    355.522  4079.31    453.763  4807.33    572.137  86.457  4.8655  93.758  5.6606  -7.301460      7.464266  
1 1 1 -11 62  8  o 244.762 4.5328  32585.93   1201.65  32842.50   1699.04  32329.14   1699.75  245.192 6.3977  243.250 6.4515  1.941620       9.085879  
1 1 1 -11 62  9  o 113.777 2.9637  7025.16    365.228  6618.52    516.521  7431.77    516.498  110.306 4.3233  116.915 4.0788  -6.609070      5.943711  
1 1 1 -11 62  10 o 67.542  2.9906  2476.36    218.780  2210.98    305.378  2756.22    313.589  63.575  4.4632  71.067  4.0913  -7.492538      6.054637  
1 1 1 -11 62  11 o 58.328  2.2531  1845.21    142.340  1720.23    262.837  1897.07    169.317  56.036  4.3650  59.126  2.6440  -3.089169      5.103327  
1 1 1 -11 62  12 o 154.623 3.3312  12994.32   557.879  12893.68   787.658  13095.62   790.267  153.742 4.7301  154.946 4.7089  -1.204254      6.674455  
1 1 1 -11 62  13 o 111.159 3.0309  6713.47    364.908  6679.85    519.595  6746.19    512.592  110.691 4.3339  111.253 4.2539  -0.5618439     6.072803  
1 1 1 -11 62  14 f 83.368  2.7610  3775.26    249.310  3695.42    404.160  3824.30    316.756  82.146  4.5605  83.833  3.4885  -1.687218      5.741716  
1 1 1 -11 62  15 o 92.960  2.8699  4697.03    288.957  4942.69    438.389  4508.31    384.237  95.152  4.2538  90.932  3.9013  4.219406       5.771889  
1 1 1 -11 62  16 o 102.305 2.9438  5692.33    326.199  5669.48    491.768  5710.27    435.899  101.820 4.4592  102.296 3.9342  -0.4758224     5.946653  
1 1 1 -11 62  17 o 31.597  5.7590  566.805    189.832  840.877    266.789  285.744    270.169  38.429  6.6504  23.839  8.4074  14.59026       10.71971  
1 1 1 -11 62  18 o 34.939  5.1309  685.544    188.381  614.636    277.732  745.963    256.370  32.427  7.9653  36.042  6.8170  -3.615246      10.48415  
1 1 1 -11 62  19 o 64.144  3.4252  2253.23    237.107  2221.07    346.253  2281.62    325.362  63.260  5.0968  64.234  4.7094  -0.9741173     6.939448  
1 1 1 -11 62  20 o 49.838  4.2646  1374.62    227.986  1065.43    336.926  1635.75    309.641  42.822  7.5397  54.082  5.3565  -11.25982      9.248746  
1 1 1 -11 62  21 o 54.719  4.6450  1664.36    272.693  1617.65    419.651  1698.50    358.762  52.860  7.5438  54.762  6.1553  -1.901875      9.736357  
1 1 1 -11 62  22 f 100.991 3.6322  5601.23    397.307  5678.29    605.620  5543.02    526.422  100.598 5.5802  99.915  4.8644  0.6828613      7.402770  
1 1 1 -11 62  23 o 24.841  9.2097  323.844    329.435  448.266    437.154  160.320    501.161  28.420  10.595  25.038  10.626  3.381435       15.00560  
1 1 1 -11 62  24 o 19.148  8.3621  14.375     327.914  306.413    432.874  -378.8760  502.315  25.424  10.237  19.340  9.1353  6.083422       13.72028  
1 1 1 -11 62  25 o 44.816  5.2641  1161.07    250.655  1347.17    501.863  1099.22    289.325  44.447  10.578  42.957  6.4150  1.489445       12.37113  
1 1 1 -11 62  26 o 23.413  1.7349  300.503    43.683   299.890    44.261   323.512    271.068  23.385  1.7604  23.360  8.4017  0.2489090E-01  8.584127  
1 1 1 -11 62  27 o 26.787  9.6349  476.721    356.489  699.473    488.263  222.413    521.701  30.816  11.248  24.294  10.580  6.521780       15.44162  
1 1 1 -11 62  28 o 20.764  8.8215  158.472    345.970  439.019    485.445  -131.1065  493.198  26.275  10.744  20.123  9.3573  6.152020       14.24760  
1 1 1 -11 63  1  f 79.148  2.7118  3396.68    232.467  3832.51    331.180  2973.37    326.389  84.031  3.6388  73.881  4.0948  10.14995       5.477978  
1 1 1 -11 63  2  o 226.869 4.2844  27959.96   1052.77  29086.69   1489.65  26835.68   1488.02  231.062 5.9523  221.887 6.1917  9.175171       8.588750  
1 1 1 -11 63  3  o 124.129 2.9671  8356.94    398.914  8288.16    562.793  8426.38    565.516  123.523 4.2066  124.550 4.1921  -1.027077      5.938787  
1 1 1 -11 63  4  o 267.213 4.8312  38829.33   1398.24  39695.95   1977.31  37962.54   1977.51  269.639 6.7705  263.637 6.9254  6.002411       9.685050  
1 1 1 -11 63  5  o 188.001 3.6919  19189.43   751.768  18631.35   1062.20  19749.53   1064.12  184.998 5.3011  190.495 5.1575  -5.497086      7.396053  
1 1 1 -11 63  6  o 146.244 3.2349  11606.45   512.399  10965.88   721.051  12259.95   728.286  141.989 4.6886  150.163 4.4779  -8.173141      6.483352  
1 1 1 -11 63  7  o 158.278 3.9014  13611.39   668.820  13419.55   815.716  14004.90   1168.29  157.028 4.7961  160.033 6.7401  -3.004684      8.272393  
1 1 1 -11 63  8  o 205.919 3.9794  23048.87   887.526  22675.82   1253.40  23424.03   1256.91  203.855 5.6767  207.211 5.6004  -3.356720      7.974330  
1 1 1 -11 63  9  o 132.477 3.1153  9528.08    447.000  9110.83    632.213  9945.18    632.094  129.366 4.5120  135.190 4.3169  -5.823730      6.244507  
1 1 1 -11 63  10 o 198.473 3.8933  21424.82   836.922  21018.28   1183.43  21831.56   1183.74  196.139 5.5707  199.930 5.4665  -3.791245      7.804831  
1 1 1 -11 63  11 o 175.892 3.7059  16826.41   706.002  16446.35   949.878  17295.52   1055.30  173.576 5.0525  177.877 5.4775  -4.301285      7.451952  
1 1 1 -11 63  12 o 70.024  3.0392  2663.86    230.504  2612.33    340.194  2707.59    313.415  69.058  4.5742  70.384  4.1294  -1.326096      6.162344  
1 1 1 -11 63  13 o 34.272  4.7903  653.631    172.958  683.306    250.986  626.795    238.678  34.623  6.9347  33.140  6.8748  1.482590       9.764894  
1 1 1 -11 63  14 o 28.010  5.8842  446.712    172.834  300.786    253.770  572.961    236.041  24.049  8.1637  31.598  7.0732  -7.549391      10.80173  
1 1 1 -11 63  15 o 156.011 3.5911  13260.70   606.805  13250.91   837.219  13271.53   880.740  155.527 4.9701  155.553 5.2276  -0.2642822E-01 7.213117  
1 1 1 -11 63  16 o 129.246 3.2070  9094.19    448.945  9543.74    648.923  8681.49    621.756  132.055 4.5370  125.942 4.5580  6.112747       6.431175  
1 1 1 -11 63  17 f 100.852 3.1299  5539.51    341.888  6014.96    504.003  5134.25    465.315  104.791 4.4406  96.817  4.4374  7.974487       6.277643  
1 1 1 -11 63  18 o 126.815 3.2080  8768.44    440.629  8531.65    636.600  8986.22    610.505  124.604 4.7170  127.999 4.4036  -3.395355      6.453053  
1 1 1 -11 63  19 o 70.370  3.3173  2703.68    252.839  2568.01    369.251  2823.44    346.929  68.043  5.0463  71.533  4.5008  -3.489555      6.761795  
1 1 1 -11 63  20 o 98.048  3.0196  5246.53    320.673  5183.44    501.970  5290.03    416.811  96.896  4.7830  98.196  3.9190  -1.299431      6.183514  
1 1 1 -11 63  21 o 60.582  4.4817  2035.27    291.983  1900.70    441.273  2140.08    389.422  57.463  7.2515  61.611  5.9081  -4.148209      9.353631  
1 1 1 -11 63  22 o 25.167  9.2050  329.476    327.279  247.231    436.791  434.756    494.190  25.451  10.271  29.185  11.178  -3.733791      15.18006  
1 1 1 -11 63  23 o 40.940  8.2622  1026.07    353.730  548.273    473.218  1631.11    532.516  30.259  11.068  50.627  10.066  -20.36804      14.96103  
1 1 1 -11 63  24 o 43.502  5.2966  1091.43    244.409  1326.23    491.973  1014.49    281.620  44.546  10.388  41.299  6.5116  3.247147       12.25996  
1 1 1 -11 63  25 o 56.321  4.4060  1796.13    266.633  1589.26    533.695  1864.93    307.798  48.394  10.485  57.022  5.0354  -8.627663      11.63138  
1 1 1 -11 63  26 o 60.134  5.1380  2091.74    331.431  2021.72    552.375  2131.12    414.293  55.078  9.6090  59.573  6.5277  -4.495083      11.61652  
1 1 1 -11 63  27 o 24.595  9.4602  368.164    354.905  752.443    483.526  -80.6740   522.567  31.655  11.238  21.264  9.7979  10.39068       14.90979  
1 1 1 -11 63  28 o 20.329  8.7377  126.819    346.619  -242.9736  484.367  514.955    496.235  19.086  9.0016  27.433  10.990  -8.346279      14.20626  
1 1 1 -11 64  1  o 51.366  2.0514  1429.99    114.130  1481.99    226.675  1412.33    132.096  52.077  4.0506  51.041  2.3895  1.036339       4.702815  
1 1 1 -11 64  2  o 51.195  2.8828  1426.03    159.196  1522.97    228.367  1334.38    222.041  52.799  4.0236  49.382  4.1909  3.416782       5.809772  
1 1 1 -11 64  3  o 197.337 3.7780  21145.82   807.495  21791.54   1141.81  20499.75   1142.13  200.074 5.2691  194.020 5.4350  6.053024       7.569822  
1 1 1 -11 64  4  o 211.700 4.2396  24356.12   972.102  24121.50   1467.93  24539.38   1297.34  210.195 6.4478  212.208 5.6445  -2.013184      8.569394  
1 1 1 -11 64  5  o 97.228  2.7146  5127.19    285.870  5072.08    419.616  5174.92    390.514  96.617  4.0098  97.616  3.6936  -0.9990540     5.451709  
1 1 1 -11 64  6  o 103.846 3.2003  5853.26    359.958  4754.65    634.210  6375.34    437.199  93.082  6.3283  108.335 3.7260  -15.25358      7.343687  
1 1 1 -11 64  7  o 200.824 4.9164  21965.55   1069.39  21621.69   1211.06  23182.76   2278.52  199.073 5.6167  204.097 10.341  -5.023926      11.76797  
1 1 1 -11 64  8  o 112.089 2.9095  6818.75    353.229  6864.29    500.570  6773.58    498.520  112.341 4.1139  111.595 4.1245  0.7459259      5.825441  
1 1 1 -11 64  9  o 98.336  2.8924  5249.08    308.069  5185.25    432.541  5314.81    438.880  97.622  4.0908  98.833  4.0999  -1.211037      5.791693  
1 1 1 -11 64  10 o 46.269  3.4350  1169.88    170.914  972.347    245.161  1356.66    238.398  41.823  5.5492  49.702  4.4765  -7.879757      7.129702  
1 1 1 -11 64  11 o 101.370 2.8367  5579.80    311.452  5354.58    457.957  5773.62    424.827  99.137  4.2650  103.006 3.8079  -3.868835      5.717515  
1 1 1 -11 64  12 o 56.292  3.3660  1729.09    204.282  1638.79    280.137  1831.65    298.536  54.583  4.7869  57.722  4.8192  -3.139072      6.792575  
1 1 1 -11 64  13 o 29.851  5.3776  502.543    167.472  674.175    245.173  352.407    229.306  34.392  6.8227  25.161  7.6971  9.231020       10.28569  
1 1 1 -11 64  14 o 59.930  3.3984  1961.21    219.688  2270.15    321.312  1690.02    301.049  64.275  4.6467  55.322  5.0810  8.953125       6.885391  
1 1 1 -11 64  15 o 150.654 3.3605  12358.50   548.350  12362.63   778.849  12354.43   772.164  150.260 4.7856  150.224 4.7457  0.3619385E-01  6.739712  
1 1 1 -11 64  16 o 86.358  3.1510  4060.15    294.731  4271.15    436.511  3883.36    399.560  88.198  4.5853  84.134  4.4000  4.063728       6.354887  
1 1 1 -11 64  17 o 33.571  5.3938  635.877    189.485  582.500    282.660  679.441    255.359  31.575  8.1942  34.306  7.1062  -2.731113      10.84635  
1 1 1 -11 64  18 o 77.183  3.2550  3249.83    272.108  3106.63    400.741  3372.33    370.655  74.947  4.9648  78.274  4.3897  -3.326538      6.627176  
1 1 1 -11 64  19 o 21.976  6.8821  270.311    182.105  251.024    272.679  285.838    244.664  22.889  8.3976  23.255  8.0131  -0.3659058     11.60730  
1 1 1 -11 64  20 o 43.311  2.5839  1025.35    120.663  1746.42    387.797  948.062    126.965  55.406  6.5915  41.601  2.8347  13.80519       7.175175  
1 1 1 -11 64  21 o 68.212  5.3550  2605.89    392.452  2803.25    523.153  2351.87    593.502  69.970  6.9969  62.969  8.9543  7.000919       11.36382  
1 1 1 -11 64  22 o 27.627  9.6073  437.730    352.086  387.845    432.879  535.237    605.204  27.537  10.482  31.623  12.300  -4.086094      16.16051  
1 1 1 -11 64  23 o 26.852  8.2843  441.060    264.986  184.744    418.706  612.310    342.245  23.621  9.8487  31.060  9.3824  -7.438311      13.60242  
1 1 1 -11 64  24 o 16.598  1.8069  151.849    31.958   144.395    448.405  151.887    32.039   23.264  9.9668  16.599  1.8115  6.664457       10.13006  
1 1 1 -11 64  25 o 20.329  7.6413  213.999    228.320  216.388    461.794  213.226    262.671  24.092  10.211  20.892  8.1098  3.199993       13.03997  
1 1 1 -11 64  26 o 22.356  8.5070  276.939    285.076  318.453    476.965  253.867    355.576  25.242  10.517  22.837  9.2488  2.404989       14.00519  
1 1 1 -11 64  27 o 41.116  8.8629  1135.11    383.067  1228.38    517.588  1022.15    569.619  40.102  11.385  35.480  12.227  4.622101       16.70684  
1 1 1 -11 64  28 o 15.538  7.3790  -275.1048  336.265  -142.5826  470.421  -413.5694  480.852  19.641  9.1350  17.797  8.5520  1.844025       12.51335  
1 1 1 -11 65  1  o 51.921  2.9485  1467.17    165.127  1458.11    237.051  1475.71    230.153  51.617  4.2787  51.949  4.1243  -0.3320923     5.942829  
1 1 1 -11 65  2  o 42.586  1.8970  982.859    87.497   972.937    97.511   1023.86    198.224  42.312  2.1346  43.188  4.2945  -0.8760147     4.795784  
1 1 1 -11 65  3  o 175.043 3.6385  16639.14   689.817  15991.73   974.571  17289.15   976.528  171.347 5.2513  178.199 5.0595  -6.851898      7.292118  
1 1 1 -11 65  4  o 181.137 3.8482  17825.83   754.977  17686.81   1015.14  17997.89   1129.36  180.191 5.2014  181.654 5.7401  -1.462250      7.746210  
1 1 1 -11 65  5  o 110.169 2.9028  6585.50    346.369  6604.17    489.534  6566.78    490.147  110.220 4.1007  109.905 4.1175  0.3142319      5.811156  
1 1 1 -11 65  6  o 246.184 5.2719  33040.44   1405.71  31640.92   2433.38  33741.40   1722.13  239.197 9.3926  248.391 6.4012  -9.194809      11.36641  
1 1 1 -11 65  7  o 38.478  3.7894  812.500    155.877  600.371    211.832  1063.01    230.198  32.603  6.2258  43.897  4.9268  -11.29361      7.939402  
1 1 1 -11 65  8  o 112.824 2.8905  6909.61    353.224  6719.86    500.281  7098.23    498.792  111.127 4.1565  114.229 4.0316  -3.101929      5.790476  
1 1 1 -11 65  9  o 56.799  3.1458  1757.60    192.770  1707.23    269.210  1810.62    276.158  55.802  4.4923  57.480  4.4710  -1.678379      6.337991  
1 1 1 -11 65  10 o 153.434 3.3399  12795.15   555.048  13054.26   785.366  12536.57   784.548  154.711 4.6869  151.591 4.7783  3.119736       6.693209  
1 1 1 -11 65  11 o 141.150 3.2656  10829.42   499.250  11120.94   690.156  10509.41   723.087  142.810 4.4619  138.751 4.8116  4.059326       6.561974  
1 1 1 -11 65  12 o 27.605  5.6677  432.602    163.785  496.433    240.355  377.269    223.785  29.410  7.5171  25.856  7.5318  3.553837       10.64116  
1 1 1 -11 65  13 o 61.521  3.3445  2065.25    222.017  1970.42    312.473  2161.92    315.507  59.833  4.8638  62.727  4.6775  -2.894489      6.748057  
1 1 1 -11 65  14 o 74.588  3.0441  3025.78    245.920  2725.70    350.470  3316.83    345.158  70.452  4.6185  77.851  4.1079  -7.399849      6.181061  
1 1 1 -11 65  15 o 21.406  6.7030  252.130    172.754  -12.3603   255.146  476.025    234.749  17.379  7.4835  28.718  7.4747  -11.33814      10.57707  
1 1 1 -11 65  16 o 102.524 3.0703  5722.72    340.942  5824.03    489.897  5627.57    474.787  103.143 4.3853  101.404 4.3229  1.739090       6.157748  
1 1 1 -11 65  17 o 101.661 3.1208  5631.67    343.630  5777.29    498.874  5500.19    474.011  102.629 4.4880  100.170 4.3690  2.458221       6.263388  
1 1 1 -11 65  18 o 85.576  2.9035  3989.91    269.122  4306.48    453.696  3818.05    334.284  88.338  4.7594  83.558  3.6937  4.780182       6.024537  
1 1 1 -11 65  19 o 43.515  4.7284  1055.65    219.271  936.592    309.679  1175.36    310.515  40.144  7.3947  45.403  6.4999  -5.258503      9.845323  
1 1 1 -11 65  20 o 34.144  6.7831  677.735    242.007  620.119    414.589  707.513    298.057  32.347  10.414  34.511  8.1110  -2.163677      13.20029  
1 1 1 -11 65  21 o 42.746  8.3078  1090.69    370.780  1417.02    522.612  759.967    526.130  47.765  10.397  35.112  11.756  12.65266       15.69363  
1 1 1 -11 65  22 o 60.301  5.5097  2064.37    355.876  1920.62    449.573  2305.61    582.396  57.090  7.4481  61.546  9.0030  -4.455952      11.68455  
1 1 1 -11 65  23 o 46.948  5.6004  1273.16    279.157  1512.58    426.174  1093.23    369.451  49.580  8.2243  41.870  8.4382  7.709930       11.78314  
1 1 1 -11 65  24 o 33.085  7.9486  687.244    281.278  664.189    460.331  700.981    355.326  31.488  10.983  32.658  9.4842  -1.169073      14.51145  
1 1 1 -11 65  25 o 22.942  7.7984  315.846    231.569  590.142    477.710  231.594    264.755  29.755  11.079  21.290  8.1751  8.465120       13.76833  
1 1 1 -11 65  26 o 18.099  8.1954  -65.4548   345.401  219.421    464.891  -416.4749  516.047  23.737  10.158  18.773  8.9780  4.964437       13.55720  
1 1 1 -11 65  27 o 21.505  9.0526  186.771    358.957  475.100    482.433  -170.8279  537.267  26.975  10.826  20.667  9.6623  6.308271       14.51093  
1 1 1 -11 66  1  o 57.005  2.7932  1762.91    172.456  1870.50    249.863  1665.03    238.325  58.534  3.9646  55.204  4.0134  3.329655       5.641375  
1 1 1 -11 66  2  o 64.903  2.3102  2284.00    162.397  2422.32    277.604  2212.04    200.234  66.656  3.8617  63.850  2.8954  2.806099       4.826571  
1 1 1 -11 66  3  o 23.453  4.5640  309.509    111.763  444.390    156.481  169.055    159.681  28.096  5.3373  18.592  6.4697  9.504148       8.387139  
1 1 1 -11 66  4  o 58.930  2.8609  1884.30    182.601  1731.23    255.464  2044.20    261.101  56.265  4.2228  61.198  3.9603  -4.933567      5.789345  
1 1 1 -11 66  5  o 158.510 3.3957  13645.74   582.981  14093.93   824.927  13198.57   823.994  160.875 4.7343  155.653 4.8876  5.222275       6.804595  
1 1 1 -11 66  6  o 140.578 4.5022  10759.26   685.502  10236.26   960.844  11301.43   978.283  136.728 6.4882  143.715 6.2848  -6.986465      9.033031  
1 1 1 -11 66  7  o 178.968 3.6352  17409.58   704.644  17052.57   994.433  17769.60   998.616  176.786 5.1935  180.486 5.1084  -3.700378      7.284754  
1 1 1 -11 66  8  o 205.515 3.9787  22980.49   885.638  23037.82   1252.33  22923.13   1252.63  205.291 5.6322  204.774 5.6478  0.5169525      7.976178  
1 1 1 -11 66  9  o 193.736 3.8522  20422.34   808.334  20404.68   1145.43  20439.85   1140.90  193.191 5.4741  193.366 5.4475  -0.1752472     7.722731  
1 1 1 -11 66  10 o 101.468 2.9245  5591.80    321.404  5653.98    451.941  5528.18    457.172  101.889 4.0953  100.736 4.1901  1.153152       5.859051  
1 1 1 -11 66  11 o 93.924  2.8357  4791.40    288.471  4509.53    436.222  5010.46    384.564  90.928  4.4293  95.949  3.7005  -5.020172      5.771707  
1 1 1 -11 66  12 o 141.850 3.2577  10943.06   500.514  10738.22   711.329  11143.92   704.389  140.201 4.6844  142.859 4.5523  -2.658417      6.532004  
1 1 1 -11 66  13 o 73.844  3.0324  2965.10    242.534  2928.80    343.942  3001.01    342.056  73.105  4.3637  74.020  4.2849  -0.9145508     6.115742  
1 1 1 -11 66  14 o 57.740  3.5346  1822.94    219.982  1830.88    310.497  1814.93    311.711  57.586  5.0286  57.323  5.0730  0.2630501      7.142972  
1 1 1 -11 66  15 o 11.396  5.2474  -112.3959  149.520  -5.3492    205.016  -234.0291  218.538  15.702  6.7335  12.868  6.0619  2.833982       9.060197  
1 1 1 -11 66  16 o 41.181  4.2945  938.206    188.734  595.060    268.654  1272.58    265.199  31.958  7.8244  47.824  5.2039  -15.86611      9.396852  
1 1 1 -11 66  17 o 80.921  3.2325  3571.11    283.321  3620.86    421.549  3530.13    382.626  81.000  4.8269  80.094  4.4278  0.9055710      6.550166  
1 1 1 -11 66  18 o 132.423 3.3537  9576.52    481.009  9895.48    695.416  9283.94    666.034  134.029 4.7905  129.846 4.7359  4.182678       6.736230  
1 1 1 -11 66  19 o 22.090  7.3772  264.650    207.190  340.761    305.529  199.849    281.916  25.408  8.9428  21.916  8.4311  3.491787       12.29051  
1 1 1 -11 66  20 o 51.627  5.7043  1503.53    313.641  1250.22    460.502  1722.71    428.353  45.394  9.6626  54.586  7.4388  -9.191998      12.19436  
1 1 1 -11 66  21 o 16.582  7.4760  -110.4778  283.846  89.741     353.305  -474.9837  476.705  21.370  8.9876  18.566  8.8078  2.804012       12.58389  
1 1 1 -11 66  22 o 34.978  1.6414  665.200    62.184   280.212    379.816  675.803    63.034   24.644  9.6980  35.255  1.6507  -10.61102      9.837474  
1 1 1 -11 66  23 o 52.994  2.5787  1539.12    148.012  1615.32    426.038  1528.67    157.844  51.403  7.9056  52.695  2.7754  -1.292255      8.378580  
1 1 1 -11 66  24 o 28.011  8.3985  497.648    274.980  487.657    441.833  503.964    351.309  28.178  10.622  28.114  9.6051  0.6416512E-01  14.32090  
1 1 1 -11 66  25 o 44.282  5.3235  1142.10    250.205  1141.03    499.233  1142.45    289.140  39.828  11.138  43.707  6.2889  -3.878693      12.79074  
1 1 1 -11 66  26 o 40.320  8.7795  1077.48    372.538  1035.97    498.445  1130.00    560.735  37.089  11.349  37.946  12.101  -0.8571358     16.58968  
1 1 1 -11 66  27 o 23.583  9.4315  310.601    364.728  405.004    498.505  201.856    535.036  26.124  10.807  24.047  10.586  2.077431       15.12823  
1 1 1 -11 67  1  o 84.779  2.5646  3898.69    235.495  3880.31    315.754  3921.73    353.518  84.523  3.4491  84.943  3.8425  -0.4199219     5.163418  
1 1 1 -11 67  2  o 70.164  2.7397  2670.99    208.201  2877.62    299.206  2477.03    289.896  72.664  3.8150  67.381  3.9900  5.283463       5.520395  
1 1 1 -11 67  3  o 67.673  2.7023  2484.68    198.070  2540.45    278.574  2427.66    281.679  68.264  3.7825  66.710  3.9156  1.553467       5.444206  
1 1 1 -11 67  4  o 197.651 3.8376  21237.44   821.545  21336.55   1161.79  21138.32   1161.89  197.735 5.4247  196.807 5.4507  0.9278870      7.690093  
1 1 1 -11 67  5  o 171.107 3.5036  15907.97   649.318  14800.94   916.331  17024.44   920.229  164.733 5.1357  176.752 4.8069  -12.01852      7.034316  
1 1 1 -11 67  6  o 118.236 4.2256  7608.95    541.139  7445.12    755.954  7781.14    774.971  116.507 6.0111  119.110 6.0267  -2.602852      8.512044  
1 1 1 -11 67  7  o 99.378  2.8574  5361.35    307.558  5448.91    435.031  5273.86    434.874  100.068 4.0138  98.440  4.0787  1.628105       5.722419  
1 1 1 -11 67  8  o 86.954  2.8821  4105.42    271.440  4280.79    392.208  3944.19    376.051  88.675  4.0836  85.118  4.0790  3.557083       5.771844  
1 1 1 -11 67  9  o 137.508 3.1607  10274.07   470.743  10146.68   667.602  10400.04   663.875  136.417 4.5183  138.126 4.4375  -1.709137      6.333013  
1 1 1 -11 67  10 o 132.394 3.1234  9525.33    447.883  8986.42    630.505  10074.25   636.339  128.349 4.5355  135.941 4.3218  -7.592056      6.264906  
1 1 1 -11 67  11 o 63.174  2.4920  2166.50    170.514  2382.26    310.190  2073.06    204.122  65.941  4.3679  61.760  3.0515  4.180687       5.328229  
1 1 1 -11 67  12 o 103.793 3.0608  5857.48    344.088  5834.09    487.646  5880.68    485.590  103.375 4.3553  103.794 4.3194  -0.4187775     6.134028  
1 1 1 -11 67  13 o 82.654  3.0192  3715.18    270.288  3784.46    384.018  3647.17    380.496  83.139  4.2791  81.605  4.3203  1.534500       6.080761  
1 1 1 -11 67  14 o 12.300  5.7381  -174.3219  187.878  -126.7556  232.607  -263.5943  318.662  14.807  6.7130  16.249  7.5445  -1.442547      10.09874  
1 1 1 -11 67  15 o 50.180  3.9116  1383.39    210.917  1422.81    296.662  1343.10    299.929  50.547  5.5079  49.032  5.7572  1.514828       7.967523  
1 1 1 -11 67  16 o 68.901  3.2353  2587.75    241.442  2467.27    347.037  2700.77    336.126  66.846  4.8257  70.050  4.4533  -3.203674      6.566549  
1 1 1 -11 67  17 o 138.308 3.3308  10439.45   498.967  10857.17   720.281  10054.04   691.868  140.501 4.7332  135.208 4.7244  5.292587       6.687562  
1 1 1 -11 67  18 o 113.373 3.2433  7018.30    398.263  6651.15    573.859  7359.45    553.170  109.824 4.8243  115.693 4.4145  -5.868713      6.539256  
1 1 1 -11 67  19 o 68.413  4.5292  2589.57    333.705  2623.94    456.124  2549.98    489.503  68.229  6.2414  66.991  6.8424  1.237625       9.261429  
1 1 1 -11 67  20 o 42.112  7.6160  1041.74    334.591  972.450    438.893  1137.90    517.011  39.647  10.171  42.513  11.106  -2.865734      15.05962  
1 1 1 -11 67  21 o 16.082  7.1694  -69.4516   253.105  9.6387     388.871  -127.5837  333.390  20.994  9.1387  17.827  8.0637  3.167116       12.18764  
1 1 1 -11 67  22 o 100.259 3.6288  5557.87    394.053  5858.93    581.766  5302.65    535.638  101.640 5.3030  96.827  5.1257  4.813202       7.375288  
1 1 1 -11 67  23 o 22.196  8.1823  264.609    259.314  77.119     394.842  406.814    343.869  21.468  9.2766  26.203  9.4580  -4.735149      13.24797  
1 1 1 -11 67  24 o 84.627  4.1560  4016.30    380.937  3733.52    631.773  4177.84    477.504  78.340  7.5388  85.368  5.1889  -7.027939      9.151946  
1 1 1 -11 67  25 o 31.070  8.2761  626.983    283.498  248.109    456.892  864.175    361.507  24.211  10.203  35.901  9.2421  -11.68991      13.76687  
1 1 1 -11 67  26 o 28.713  9.6044  565.762    351.186  428.124    461.876  754.378    540.688  26.428  10.598  31.599  11.782  -5.170162      15.84710  
1 1 1 -11 67  27 o 31.047  9.7540  683.723    365.469  898.038    493.959  424.498    543.253  34.070  11.391  26.662  11.175  7.407583       15.95736  
1 1 1 -11 68  1  o 89.123  2.6758  4309.78    258.292  4556.78    367.630  4068.99    362.974  91.561  3.7071  86.507  3.8740  5.053902       5.361909  
1 1 1 -11 68  2  o 100.239 2.8249  5453.16    306.696  5051.74    434.733  5850.91    432.742  96.358  4.1655  103.735 3.8515  -7.377083      5.673242  
1 1 1 -11 68  3  o 117.055 2.9424  7437.82    373.039  7174.59    530.239  7695.78    524.915  114.816 4.2638  118.938 4.0747  -4.122734      5.897748  
1 1 1 -11 68  4  o 41.746  3.0931  951.468    138.860  598.721    197.974  1293.06    194.819  32.619  5.8169  48.628  3.7273  -16.00928      6.908583  
1 1 1 -11 68  5  o 106.404 3.3429  6151.16    385.257  5975.25    660.683  6241.80    474.229  104.362 5.8688  107.100 4.0882  -2.737434      7.152301  
1 1 1 -11 68  6  o 69.403  3.5076  2624.86    262.815  2737.93    325.822  2414.30    444.642  70.782  4.2700  66.088  6.2876  4.694138       7.600396  
1 1 1 -11 68  7  o 156.516 3.3900  13314.76   574.682  13872.36   817.489  12769.97   808.038  159.486 4.7325  152.984 4.8766  6.501328       6.795401  
1 1 1 -11 68  8  o 139.223 3.2023  10532.50   482.883  10560.42   684.819  10504.90   680.995  139.169 4.5432  138.806 4.5297  0.3635712      6.415501  
1 1 1 -11 68  9  o 66.980  2.3945  2434.46    173.714  1811.61    309.987  2719.60    209.742  57.369  5.0399  70.772  2.7362  -13.40392      5.734785  
1 1 1 -11 68  10 o 76.913  2.9981  3214.44    249.755  2969.52    354.535  3455.72    351.894  73.641  4.4661  79.527  4.0993  -5.885765      6.062191  
1 1 1 -11 68  11 o 88.174  2.7277  4223.32    260.504  4017.65    401.214  4373.23    342.524  85.693  4.3369  89.633  3.5282  -3.940125      5.590761  
1 1 1 -11 68  12 o 16.377  6.3462  95.542     160.644  264.375    246.169  -29.6845   212.008  22.969  8.0307  15.556  6.7595  7.413674       10.49682  
1 1 1 -11 68  13 o 105.706 3.0333  6077.83    347.287  6306.02    497.885  5861.61    484.659  107.438 4.2786  103.575 4.3203  3.863785       6.080386  
1 1 1 -11 68  14 o 51.739  3.6905  1467.36    205.452  1540.17    304.279  1406.36    278.530  52.659  5.4120  50.349  5.1815  2.309399       7.492498  
1 1 1 -11 68  15 o 71.667  3.2264  2798.49    250.445  2692.94    366.407  2891.05    343.106  69.870  4.8723  72.528  4.3884  -2.658531      6.557195  
1 1 1 -11 68  16 o 27.859  6.3011  447.620    185.680  476.482    256.049  415.606    269.661  28.629  7.9660  27.031  8.3600  1.598164       11.54757  
1 1 1 -11 68  17 o 34.842  5.4654  686.749    199.466  775.380    282.965  599.209    281.218  36.516  7.4078  31.907  8.1178  4.609295       10.98978  
1 1 1 -11 68  18 f 79.227  4.3107  3460.02    368.510  3733.53    502.512  3141.80    542.033  81.777  5.7092  74.518  6.7902  7.259102       8.871440  
1 1 1 -11 68  19 o 63.464  4.6265  2233.95    315.831  2217.27    426.936  2254.10    469.380  62.568  6.3897  62.812  7.0194  -0.2444000     9.492141  
1 1 1 -11 68  20 f 66.375  4.1111  2437.53    294.097  2074.78    418.825  2790.37    413.067  60.245  6.5228  70.484  5.4532  -10.23910      8.502050  
1 1 1 -11 68  21 o 52.341  4.9114  1544.24    275.177  1236.46    395.112  1834.14    383.466  45.127  8.3927  56.352  6.3961  -11.22474      10.55212  
1 1 1 -11 68  22 o 28.387  8.1609  500.558    264.289  466.190    395.761  528.221    355.064  27.918  10.136  29.012  9.6562  -1.094240      13.99917  
1 1 1 -11 68  23 o 70.119  4.2137  2759.58    318.528  2946.70    477.816  2609.91    427.332  70.985  6.2796  67.035  5.9475  3.950218       8.648996  
1 1 1 -11 68  24 o 23.712  8.4770  330.522    275.558  304.404    441.994  347.127    352.436  25.099  10.256  24.798  9.4534  0.3010902      13.94848  
1 1 1 -11 68  25 o 38.424  7.3679  922.350    295.476  1213.66    479.567  744.093    375.139  41.358  10.644  32.836  9.8014  8.521523       14.46903  
1 1 1 -11 68  26 o 19.340  8.4746  52.988     339.337  136.656    447.949  -59.6845   519.823  22.309  9.7572  21.435  9.8378  0.8746719      13.85586  
1 1 1 -11 69  1  o 9.9022  4.4264  -42.2316   97.188   9.4624     140.910  -89.1360   134.224  13.425  5.6627  11.046  5.0432  2.379189       7.582827  
1 1 1 -11 69  2  o 54.223  2.1837  1594.40    128.247  1808.73    253.370  1520.57    148.702  57.510  4.0944  52.937  2.5935  4.572174       4.846676  
1 1 1 -11 69  3  o 27.503  4.3652  421.913    125.688  238.940    192.742  557.288    165.788  21.400  7.1141  31.583  5.0141  -10.18285      8.703490  
1 1 1 -11 69  4  o 156.543 3.4231  13317.61   580.396  13617.17   795.873  12977.34   848.233  158.061 4.6489  154.207 5.0786  3.853790       6.885061  
1 1 1 -11 69  5  o 162.228 4.1313  14327.53   725.915  15108.43   1194.64  13870.42   914.007  165.901 6.6484  159.351 5.2957  6.550232       8.499768  
1 1 1 -11 69  6  o 100.833 3.4272  5526.79    374.298  5708.31    461.380  5177.36    640.165  102.385 4.1606  97.012  6.1240  5.373596       7.403583  
1 1 1 -11 69  7  o 47.085  3.6500  1213.05    184.686  1433.57    263.479  1000.03    258.950  51.032  4.8240  42.358  5.7964  8.674538       7.541188  
1 1 1 -11 69  8  f 90.808  2.9430  4479.19    289.455  4645.37    408.610  4311.80    410.095  92.349  4.0851  88.949  4.2567  3.399422       5.899807  
1 1 1 -11 69  9  o 59.320  2.4084  1909.77    154.740  1862.35    295.108  1927.75    181.725  58.215  4.7210  59.575  2.8163  -1.360485      5.497228  
1 1 1 -11 69  10 o 87.974  2.9894  4206.37    284.848  4148.05    398.857  4267.08    406.937  87.206  4.2228  88.445  4.2480  -1.238609      5.989765  
1 1 1 -11 69  11 o 82.010  2.6501  3653.37    235.398  3473.05    364.380  3782.53    308.388  79.662  4.2383  83.364  3.4155  -3.701187      5.443254  
1 1 1 -11 69  12 o 62.523  3.2807  2133.30    221.393  1988.61    320.965  2264.62    305.780  60.055  4.9794  64.228  4.4225  -4.173275      6.659780  
1 1 1 -11 69  13 o 21.420  6.5351  255.096    165.438  412.136    247.042  127.404    222.765  26.917  7.9343  19.073  7.4503  7.844728       10.88388  
1 1 1 -11 69  14 o 69.761  3.1625  2650.22    238.956  2756.45    342.462  2549.42    333.584  70.810  4.4885  68.074  4.5506  2.736229       6.391715  
1 1 1 -11 69  15 o 89.821  3.0454  4394.31    296.276  4223.08    424.452  4557.00    413.750  87.651  4.4860  91.237  4.1869  -3.586075      6.136341  
1 1 1 -11 69  16 o 49.531  4.1313  1353.03    219.607  1096.40    317.491  1588.45    304.086  43.804  6.9219  53.394  5.3293  -9.590324      8.735821  
1 1 1 -11 69  17 o 39.633  5.8439  889.916    243.334  619.350    318.618  1268.60    376.941  32.322  8.8444  46.820  7.7010  -14.49767      11.72731  
1 1 1 -11 69  18 o 133.945 4.5156  9879.46    655.111  9313.81    914.105  10476.77   939.345  128.715 6.5789  136.841 6.3378  -8.126190      9.135049  
1 1 1 -11 69  19 o 33.744  6.2266  657.504    219.189  418.806    319.828  868.912    300.991  27.234  9.1653  38.466  7.4939  -11.23124      11.83897  
1 1 1 -11 69  20 o 91.716  3.5718  4622.86    354.816  4379.57    507.299  4855.84    496.447  88.340  5.3269  93.265  4.9321  -4.924461      7.259551  
1 1 1 -11 69  21 o 43.662  5.8880  1101.73    271.342  1171.98    398.591  1041.05    370.427  43.522  8.7590  41.043  8.6077  2.478848       12.28059  
1 1 1 -11 69  22 o 50.434  5.2839  1457.74    284.347  1178.27    419.412  1695.47    386.817  42.922  9.2912  53.492  6.8325  -10.57075      11.53299  
1 1 1 -11 69  23 o 17.534  7.5058  41.341     253.933  -17.6869   379.118  89.370     341.979  19.848  8.8157  20.450  8.7312  -0.6020164     12.40768  
1 1 1 -11 69  24 o 60.525  4.7334  2091.04    307.826  2467.91    467.655  1802.91    408.901  64.071  6.8449  54.490  7.0968  9.581001       9.859860  
1 1 1 -11 69  25 o 63.003  6.0959  2359.27    410.778  1999.71    552.645  2803.19    614.052  54.492  9.7201  65.697  8.8552  -11.20496      13.14898  
1 1 1 -11 69  26 o 25.663  9.8907  411.378    388.546  1032.41    562.943  -153.6330  536.952  36.001  12.159  20.955  9.7506  15.04694       15.58605  
1 1 1 -11 70  1  o 116.695 2.9039  7393.73    367.032  7532.08    516.806  7252.94    521.348  117.637 4.0561  115.420 4.1704  2.216911       5.817597  
1 1 1 -11 70  2  o 97.749  2.6461  5185.60    280.150  5429.02    385.496  4913.15    407.831  99.930  3.5617  95.019  3.9628  4.910217       5.328132  
1 1 1 -11 70  3  o 196.394 3.7900  20981.37   806.202  21953.83   1145.15  20025.73   1135.20  200.477 5.2738  191.407 5.4757  9.069778       7.602446  
1 1 1 -11 70  4  o 153.206 3.2668  12754.24   542.094  13214.52   766.013  12292.47   767.262  155.702 4.5423  150.133 4.7184  5.568787       6.549490  
1 1 1 -11 70  5  o 51.823  5.7778  1487.66    318.781  1481.87    425.262  1495.09    481.631  51.231  7.9194  51.176  9.0188  0.5533600E-01  12.00230  
1 1 1 -11 70  6  o 143.266 3.2250  11153.96   500.430  10431.70   703.623  11893.27   711.878  138.281 4.6979  147.707 4.4497  -9.425339      6.470757  
1 1 1 -11 70  7  o 134.850 3.1458  9881.96    459.464  9804.50    653.172  9957.83    646.440  134.078 4.4978  135.140 4.4165  -1.061401      6.303592  
1 1 1 -11 70  8  o 65.171  3.0999  2308.30    218.812  2175.21    315.252  2432.01    303.951  62.956  4.6563  66.661  4.2317  -3.704731      6.291936  
1 1 1 -11 70  9  o 80.090  2.9750  3485.93    258.066  3359.01    368.274  3608.38    361.735  78.343  4.3574  81.251  4.1240  -2.908073      5.999512  
1 1 1 -11 70  10 o 189.261 3.8051  19517.53   780.010  19386.76   1103.13  19648.29   1103.07  188.036 5.4165  189.316 5.3795  -1.279907      7.633961  
1 1 1 -11 70  11 o 138.056 3.2708  10371.27   489.071  10619.73   678.880  10103.20   705.171  139.403 4.4962  135.888 4.7912  3.515350       6.570526  
1 1 1 -11 70  12 o 42.409  4.1062  990.891    186.248  1004.62    274.806  979.226    253.296  42.260  6.1871  41.819  5.7440  0.4412308      8.442361  
1 1 1 -11 70  13 o 75.371  3.2016  3093.19    261.362  3312.63    372.158  2879.64    367.136  77.681  4.4417  72.346  4.7110  5.334724       6.474763  
1 1 1 -11 70  14 o 47.650  3.7889  1247.57    193.930  1271.49    276.401  1224.38    272.165  47.750  5.4415  46.840  5.4676  0.9103813      7.713979  
1 1 1 -11 70  15 o 29.194  5.7107  486.686    174.103  484.880    246.062  488.497    246.377  28.865  7.7202  28.969  7.7147  -0.1035271     10.91409  
1 1 1 -11 70  16 o 20.637  7.5530  199.617    220.402  17.932     267.025  587.987    390.405  18.163  7.7339  31.820  10.092  -13.65780      12.71426  
1 1 1 -11 70  17 o 21.984  7.5087  255.877    214.695  436.913    277.605  -13.5596   338.667  27.525  8.4772  19.759  8.5646  7.765764       12.05054  
1 1 1 -11 70  18 o 38.553  5.6908  843.512    230.485  714.676    288.306  1071.67    383.667  34.786  7.8397  42.480  8.6330  -7.694111      11.66149  
1 1 1 -11 70  19 o 40.360  2.2030  889.101    95.936   1139.05    359.356  869.919    99.550   43.965  7.8338  39.905  2.3132  4.059765       8.168209  
1 1 1 -11 70  20 o 61.743  4.4429  2126.81    295.133  1907.52    430.640  2321.02    405.276  57.175  7.1074  63.805  5.9324  -6.629639      9.257846  
1 1 1 -11 70  21 o 79.357  3.8227  3490.86    328.569  3954.96    472.419  3056.02    457.282  83.478  5.2518  72.948  5.8365  10.52976       7.851515  
1 1 1 -11 70  22 o 30.295  8.2770  576.787    279.296  559.062    445.118  588.296    358.694  29.790  10.759  30.248  9.6815  -0.4581928     14.47403  
1 1 1 -11 70  23 o 21.722  8.2012  245.913    263.642  324.820    398.736  184.622    351.422  25.044  9.9107  22.049  9.0932  2.994568       13.45022  
1 1 1 -11 70  24 o 43.369  6.2575  1123.68    285.432  1286.43    432.152  997.739    380.153  44.111  9.3363  38.812  9.1860  5.298969       13.09768  
1 1 1 -11 70  25 o 32.529  9.5077  728.261    356.072  806.223    474.007  627.289    539.438  33.050  11.158  29.867  11.614  3.183527       16.10513  
1 1 1 -11 70  26 o 37.317  9.1373  946.468    366.355  1161.01    491.151  677.391    550.047  39.527  11.045  30.347  11.748  9.179482       16.12481  
1 1 1 -11 71  1  o 99.029  2.8659  5324.90    307.398  5030.18    415.176  5682.49    457.327  96.131  3.9875  102.155 4.1333  -6.023872      5.743167  
1 1 1 -11 71  2  o 106.792 2.9049  6192.89    335.998  6447.69    472.101  5931.35    478.305  108.834 4.0050  104.354 4.2318  4.479904       5.826509  
1 1 1 -11 71  3  o 158.621 3.3424  13675.26   574.227  14051.48   812.900  13300.57   811.262  160.510 4.6759  156.133 4.7973  4.376724       6.699098  
1 1 1 -11 71  4  o 55.226  3.2859  1663.39    195.658  1582.86    270.805  1751.34    283.000  53.665  4.7066  56.475  4.6684  -2.810120      6.629159  
1 1 1 -11 71  5  o 91.347  4.5115  4550.28    446.359  4794.42    614.512  4277.60    649.427  93.305  6.1146  87.913  6.8751  5.391907       9.200819  
1 1 1 -11 71  6  o 45.094  3.7898  1114.53    183.379  826.206    264.254  1382.34    254.686  38.240  6.6199  50.103  4.7500  -11.86323      8.147740  
1 1 1 -11 71  7  o 43.417  1.7112  1021.98    80.471   537.608    248.553  1078.70    85.052   30.590  7.5481  44.605  1.7605  -14.01409      7.750674  
1 1 1 -11 71  8  o 55.384  3.3900  1674.86    202.372  1605.32    285.966  1744.64    286.427  53.964  4.9477  56.314  4.7401  -2.350189      6.851879  
1 1 1 -11 71  9  o 55.727  3.3935  1696.10    203.854  1724.70    287.000  1666.98    289.603  55.968  4.7804  54.991  4.9141  0.9765129      6.855637  
1 1 1 -11 71  10 o 62.641  3.2659  2140.69    220.813  2163.94    308.539  2116.28    316.153  62.762  4.5702  62.030  4.7416  0.7322464      6.585554  
1 1 1 -11 71  11 o 21.222  6.3283  251.773    156.444  431.141    226.627  88.487     216.229  27.405  7.4427  18.022  7.2426  9.382948       10.38503  
1 1 1 -11 71  12 o 21.943  6.4779  270.816    164.563  6.0149     246.742  482.976    220.858  17.404  7.4231  28.930  7.1011  -11.52644      10.27269  
1 1 1 -11 71  13 o 63.015  3.4080  2170.62    231.735  2273.25    348.493  2089.27    310.272  64.141  5.0574  61.562  4.6885  2.578373       6.896347  
1 1 1 -11 71  14 o 17.894  6.6839  137.730    174.158  106.065    270.767  160.073    227.450  19.915  8.0690  19.892  7.5917  0.2310371E-01  11.07897  
1 1 1 -11 71  15 o 55.014  4.0756  1666.14    241.121  1742.83    409.199  1625.35    298.435  55.439  6.9688  54.069  5.1586  1.369671       8.670359  
1 1 1 -11 71  16 o 33.301  6.5632  639.723    228.305  809.336    302.749  416.095    347.628  37.199  7.7651  27.692  9.5510  9.506752       12.30927  
1 1 1 -11 71  17 o 33.436  6.7623  648.178    236.481  587.021    310.779  732.291    364.469  31.465  8.7837  34.934  9.4182  -3.468649      12.87852  
1 1 1 -11 71  18 o 64.384  3.6085  2278.75    250.620  1923.28    358.888  2617.08    350.134  58.455  5.7427  68.655  4.7376  -10.20023      7.444655  
1 1 1 -11 71  19 o 25.198  1.1102  344.318    30.300   206.321    401.014  345.110    30.387   24.204  9.8152  25.227  1.1121  -1.022858      9.877963  
1 1 1 -11 71  20 o 82.271  3.8225  3740.92    340.610  3417.67    497.042  4027.12    467.688  77.320  5.9817  84.541  5.1319  -7.221695      7.881422  
1 1 1 -11 71  21 o 21.991  8.0280  257.807    248.764  384.337    353.982  134.343    349.667  26.004  9.5638  21.496  8.9846  4.507410       13.12208  
1 1 1 -11 71  22 f 39.861  6.6989  949.678    278.954  859.991    419.372  1020.85    373.587  35.851  10.272  40.054  8.8475  -4.203037      13.55727  
1 1 1 -11 71  23 o 17.068  7.4246  12.594     256.318  326.449    376.789  -257.7568  349.702  24.747  9.6831  16.464  7.7284  8.282419       12.38916  
1 1 1 -11 71  24 o 26.942  8.6039  468.521    283.410  242.362    453.399  613.555    363.084  24.120  10.165  30.108  9.7516  -5.987286      14.08605  
1 1 1 -11 71  25 o 17.212  7.8854  -112.1723  331.890  -331.7433  440.464  176.245    504.816  17.777  8.4431  23.693  10.360  -5.915918      13.36494  
1 1 1 -11 72  1  f 169.267 3.4694  15579.83   636.065  15403.51   897.019  15758.13   902.067  167.957 4.9310  169.888 4.9024  -1.930405      6.953259  
1 1 1 -11 72  2  o 67.985  3.0580  2511.01    225.174  2310.60    311.458  2730.46    325.923  64.950  4.4543  70.658  4.2789  -5.708603      6.176591  
1 1 1 -11 72  3  f 88.773  2.5017  4277.06    240.539  4536.63    388.741  4116.03    306.194  91.282  3.9319  87.022  3.2486  4.260887       5.100333  
1 1 1 -11 72  4  o 134.155 3.2404  9782.80    470.838  9463.33    674.633  10086.18   657.431  131.672 4.7305  135.994 4.4633  -4.322632      6.503750  
1 1 1 -11 72  5  o 95.573  3.4894  4968.54    361.205  5037.07    427.982  4798.88    673.401  96.148  4.1098  93.143  6.7202  3.005020       7.877245  
1 1 1 -11 72  6  o 125.518 3.1395  8563.91    426.811  8560.28    600.207  8567.63    607.057  125.262 4.4240  125.305 4.4729  -0.4351044E-01 6.291134  
1 1 1 -11 72  7  o 68.466  2.5139  2544.95    186.423  2493.89    228.417  2646.82    322.621  67.730  3.1137  69.523  4.3056  -1.793457      5.313510  
1 1 1 -11 72  8  o 74.318  2.9958  3002.28    241.145  3083.41    347.217  2926.69    335.164  75.049  4.2893  73.118  4.2505  1.931290       6.038629  
1 1 1 -11 72  9  o 81.364  2.9839  3599.06    262.959  3448.35    376.378  3742.77    367.540  79.345  4.3968  82.832  4.0967  -3.486809      6.009582  
1 1 1 -11 72  10 o 31.927  4.8751  570.446    163.236  586.578    233.819  555.109    227.993  31.962  6.9521  31.081  6.9472  0.8811455      9.828274  
1 1 1 -11 72  11 o 42.722  3.9538  1004.43    180.878  901.814    261.700  1098.29    250.282  39.970  6.2498  44.420  5.3072  -4.450333      8.199135  
1 1 1 -11 72  12 o 34.045  4.9747  648.911    178.025  458.309    265.437  804.746    240.010  28.256  8.1947  37.725  6.0807  -9.469099      10.20432  
1 1 1 -11 72  13 o 56.787  3.6374  1767.11    222.548  1580.84    314.983  1952.79    314.477  53.273  5.5399  59.426  4.9304  -6.152527      7.416186  
1 1 1 -11 72  14 o 18.538  6.7018  162.007    172.757  71.914     262.408  230.928    229.512  19.015  7.8514  21.669  7.7375  -2.653746      11.02329  
1 1 1 -11 72  15 o 37.648  5.8664  803.528    231.420  667.472    310.397  973.809    347.250  33.618  8.5152  40.812  8.1411  -7.193916      11.78077  
1 1 1 -11 72  16 o 42.925  5.8875  1041.83    266.514  641.968    380.174  1428.23    373.724  32.896  9.8778  49.953  7.1080  -17.05703      12.16942  
1 1 1 -11 72  17 o 42.308  4.7195  999.097    212.581  854.411    304.413  1136.82    296.995  38.193  7.6258  44.675  6.3138  -6.481731      9.900356  
1 1 1 -11 72  18 o 20.533  7.0798  222.471    191.007  240.755    268.431  203.717    271.851  22.416  8.3128  21.669  8.2926  0.7473106      11.74179  
1 1 1 -11 72  19 o 42.553  5.7473  1036.36    258.110  1220.18    383.297  883.844    349.135  45.122  8.1426  38.026  8.6696  7.095718       11.89382  
1 1 1 -11 72  20 o 74.387  3.8883  3073.91    312.192  3049.93    447.816  3096.58    435.454  73.054  5.7048  73.755  5.4904  -0.7004242     7.917701  
1 1 1 -11 72  21 o 83.927  3.7570  3906.18    341.517  3883.84    488.993  3927.45    477.180  82.429  5.5089  83.027  5.3346  -0.5982971     7.668449  
1 1 1 -11 72  22 f 23.988  8.3362  339.004    265.066  338.924    395.389  339.069    357.228  25.346  9.9188  24.915  9.5129  0.4310951      13.74328  
1 1 1 -11 72  23 o 24.903  8.3520  382.888    265.575  501.337    394.690  284.891    359.000  27.999  10.129  23.714  9.3977  4.284643       13.81695  
1 1 1 -11 72  24 f 40.691  8.5105  1073.10    363.024  1259.77    483.172  831.135    550.102  42.300  10.575  33.345  11.971  8.955212       15.97294  
1 1 1 -11 72  25 o 15.374  7.2932  -283.6583  326.815  -237.3609  431.859  -345.7070  499.954  18.364  8.6101  18.931  8.9923  -0.5669689     12.44969  
1 1 1 -11 73  1  o 153.522 3.3916  12817.21   563.956  12002.89   794.397  13644.60   800.748  148.218 4.9484  158.104 4.6761  -9.886200      6.808270  
1 1 1 -11 73  2  o 94.547  2.9380  4856.27    300.862  4557.38    419.047  5174.26    432.227  91.438  4.2312  97.450  4.0951  -6.012077      5.888358  
1 1 1 -11 73  3  o 65.427  2.5441  2323.77    180.288  2231.32    217.449  2527.07    322.463  64.073  3.1334  67.928  4.4067  -3.854889      5.407118  
1 1 1 -11 73  4  o 61.177  3.9466  2047.10    260.116  2451.17    471.335  1870.14    311.916  66.412  6.6417  58.284  4.9891  8.127857       8.306832  
1 1 1 -11 73  5  o 185.906 4.6254  18873.06   931.349  18680.30   1063.14  19509.18   1931.28  184.709 5.3141  186.252 9.6063  -1.542496      10.97820  
1 1 1 -11 73  6  o 121.319 3.1024  8001.71    407.664  7782.80    569.304  8232.09    584.026  119.414 4.4017  122.815 4.3905  -3.400848      6.216980  
1 1 1 -11 73  7  o 22.851  5.8621  297.632    145.794  384.149    206.595  211.801    205.775  25.951  7.1305  20.808  7.3375  5.142670       10.23144  
1 1 1 -11 73  8  o 138.281 3.2994  10404.19   494.154  10068.83   686.841  10764.04   711.490  135.714 4.6726  140.318 4.6815  -4.604492      6.614382  
1 1 1 -11 73  9  o 171.128 3.5549  15951.14   658.891  15526.74   929.231  16380.30   934.417  168.326 5.0969  172.934 4.9887  -4.607529      7.132006  
1 1 1 -11 73  10 o 148.792 3.3538  12055.58   540.488  11671.74   766.448  12435.28   762.299  145.969 4.8479  150.730 4.6693  -4.760971      6.730882  
1 1 1 -11 73  11 o 52.469  3.3991  1506.16    192.132  1722.30    268.757  1280.23    274.775  55.926  4.4743  47.969  5.3814  7.956783       6.998517  
1 1 1 -11 73  12 o 66.576  3.2289  2414.68    232.834  2264.30    327.429  2568.50    331.156  64.079  4.7516  68.330  4.4998  -4.250816      6.544100  
1 1 1 -11 73  13 o 13.237  5.7651  -24.4704   154.927  -105.9907  214.476  64.480     224.037  14.356  6.4830  17.696  7.2748  -3.340568      9.744355  
1 1 1 -11 73  14 o 12.663  5.9350  -200.2314  204.852  186.106    301.791  -530.3318  278.963  22.210  8.6728  12.474  6.1112  9.736286       10.60965  
1 1 1 -11 73  15 o 77.279  4.4964  3293.09    374.725  2767.72    514.848  3884.93    546.446  69.974  6.8822  83.356  6.0948  -13.38287      9.193033  
1 1 1 -11 73  16 o 45.840  4.2221  1163.29    207.266  986.737    304.601  1315.53    282.843  41.370  7.0508  48.426  5.4895  -7.056477      8.935816  
1 1 1 -11 73  17 o 45.928  4.6793  1176.31    229.516  1244.12    350.131  1125.23    303.922  46.381  7.2035  44.316  6.5274  2.065105       9.720971  
1 1 1 -11 73  18 f 72.772  3.5389  2906.76    278.930  2918.01    412.981  2897.32    378.239  72.128  5.3240  72.071  4.8741  0.5711365E-01  7.218128  
1 1 1 -11 73  19 o 23.806  8.1167  320.469    250.862  658.903    388.386  78.200     328.605  32.389  10.036  20.419  8.6318  11.97050       13.23707  
1 1 1 -11 73  20 o 43.175  5.8827  1081.55    267.932  1186.63    375.314  972.344    382.617  43.992  8.1779  39.148  9.1824  4.843719       12.29616  
1 1 1 -11 73  21 o 69.050  4.2373  2671.85    315.366  2806.26    462.806  2555.34    430.893  69.462  6.2173  66.377  6.0604  3.084877       8.682332  
1 1 1 -11 73  22 o 65.774  4.4258  2441.32    313.461  2086.67    461.722  2744.52    426.921  58.703  7.4281  68.800  5.7828  -10.09684      9.413640  
1 1 1 -11 73  23 o 28.055  8.6030  508.011    286.259  374.944    458.756  592.858    366.325  26.214  10.544  29.799  9.8029  -3.585180      14.39709  
1 1 1 -11 73  24 o 28.935  9.5176  564.629    345.319  114.007    456.413  1167.93    528.103  22.424  9.8271  39.487  11.590  -17.06305      15.19507  
1 1 1 -11 73  25 o 34.202  9.3721  800.701    357.474  508.973    478.360  1169.66    537.963  27.886  10.911  39.133  11.750  -11.24701      16.03461  
1 1 1 -11 74  1  o 47.838  3.4801  1251.68    179.080  1411.74    246.941  1074.13    260.084  50.654  4.5495  43.928  5.5932  6.726009       7.209877  
1 1 1 -11 74  2  f 63.575  2.5104  2194.22    172.860  2110.04    206.167  2393.46    317.185  62.307  3.0550  66.078  4.4579  -3.770844      5.404274  
1 1 1 -11 74  3  o 27.659  5.2703  432.421    152.121  339.903    226.406  508.560    205.390  24.772  7.6600  29.831  6.5373  -5.058662      10.07035  
1 1 1 -11 74  4  o 33.467  8.0706  646.487    289.143  735.098    393.773  542.808    425.940  35.599  9.8694  31.657  10.577  3.941484       14.46670  
1 1 1 -11 74  5  o 116.983 3.0720  7439.76    389.239  7229.98    547.205  7654.61    553.789  115.092 4.3897  118.439 4.3170  -3.346703      6.156744  
1 1 1 -11 74  6  o 82.640  3.0511  3712.84    273.094  3472.66    386.046  3953.44    386.379  79.618  4.4951  85.129  4.1905  -5.511192      6.145416  
1 1 1 -11 74  7  o 73.902  3.1494  2970.46    252.093  2821.70    350.709  3129.49    362.615  71.722  4.5380  75.565  4.4502  -3.842575      6.355909  
1 1 1 -11 74  8  o 40.132  4.2278  888.791    181.003  829.980    257.751  946.009    254.237  38.294  6.4431  41.076  5.8824  -2.782162      8.724494  
1 1 1 -11 74  9  o 57.505  3.3004  1806.15    204.705  1677.43    297.354  1922.11    282.231  55.095  5.0388  59.131  4.4391  -4.036831      6.715328  
1 1 1 -11 74  10 o 49.001  2.4702  1307.72    130.678  1670.01    287.458  1213.35    146.715  54.985  4.8774  47.145  2.8871  7.840637       5.667850  
1 1 1 -11 74  11 o 90.232  3.0785  4432.56    300.862  4544.16    430.780  4326.28    420.375  91.120  4.3649  88.908  4.3654  2.211411       6.173254  
1 1 1 -11 74  12 o 40.705  4.4488  918.387    192.945  1112.77    282.516  748.466    264.141  44.470  6.0203  36.073  7.0131  8.396374       9.242708  
1 1 1 -11 74  13 o 72.113  4.2994  2859.69    334.281  2258.82    445.703  3632.29    505.392  63.385  6.5884  80.822  5.8122  -17.43648      8.785670  
1 1 1 -11 74  14 o 90.310  4.2317  4473.19    413.928  4599.38    592.859  4353.16    578.182  90.790  6.0638  88.308  6.0820  2.481567       8.588443  
1 1 1 -11 74  15 o 21.096  6.8941  242.493    181.293  388.308    277.004  133.235    239.780  26.292  8.5177  19.534  7.6996  6.758121       11.48199  
1 1 1 -11 74  16 o 16.451  6.6134  77.568     180.361  312.233    276.983  -95.1812   237.649  24.340  8.5180  15.325  6.8809  9.015288       10.95002  
1 1 1 -11 74  17 o 14.088  6.1326  -20.8329   175.113  -54.6148   246.583  13.538     248.724  16.195  7.1556  17.373  7.4325  -1.177631      10.31720  
1 1 1 -11 74  18 o 52.795  4.0989  1548.62    232.547  1928.51    332.822  1186.24    325.057  58.474  5.3131  45.115  6.8691  13.35875       8.684046  
1 1 1 -11 74  19 o 49.250  4.9957  1374.34    262.796  1459.34    381.772  1297.80    362.293  49.571  7.3318  46.654  7.4181  2.917122       10.42993  
1 1 1 -11 74  20 o 59.188  2.9302  1923.82    187.844  2137.96    437.954  1875.55    207.942  60.280  6.8283  58.241  3.3101  2.039223       7.588305  
1 1 1 -11 74  21 o 19.031  7.8289  113.149    259.690  196.141    403.774  54.601     339.138  23.310  9.6911  19.970  8.6134  3.339348       12.96565  
1 1 1 -11 74  22 o 27.437  8.2696  476.127    266.095  827.322    390.010  170.267    363.968  35.113  9.8533  22.018  9.1815  13.09504       13.46799  
1 1 1 -11 74  23 o 18.876  7.9348  98.210     275.155  314.036    435.462  -45.2296   355.004  24.983  10.191  18.727  8.4092  6.255888       13.21282  
1 1 1 -11 74  24 o 22.258  9.0158  233.315    337.953  102.132    446.300  409.642    517.426  22.131  9.7077  26.854  11.049  -4.722403      14.70815  
1 1 1 -11 75  1  f 135.771 3.2019  10024.49   470.853  9895.30    662.739  10156.17   669.080  134.610 4.5456  136.377 4.5297  -1.766830      6.417214  
1 1 1 -11 75  2  o 31.374  5.0335  551.664    165.264  504.738    228.659  602.986    239.130  29.640  7.1951  32.445  7.0096  -2.805202      10.04512  
1 1 1 -11 75  3  o 66.036  3.1560  2371.24    225.733  2458.29    317.661  2282.45    320.831  66.967  4.4041  64.476  4.6249  2.490768       6.386385  
1 1 1 -11 75  4  o 24.283  8.5367  293.853    278.347  502.333    378.982  49.676     410.147  30.326  9.9705  22.869  9.6542  7.456902       13.87860  
1 1 1 -11 75  5  o 14.855  6.0876  42.811     156.273  108.885    237.735  -7.4630    207.370  19.141  7.6278  15.788  6.7713  3.352450       10.19975  
1 1 1 -11 75  6  f 79.273  2.7608  3414.66    237.048  3124.82    297.844  3915.49    391.522  75.741  3.6307  84.582  4.2878  -8.840210      5.618414  
1 1 1 -11 75  7  o 148.124 3.3898  11944.45   543.833  11770.40   767.557  12119.90   770.646  146.647 4.8325  148.825 4.7809  -2.177963      6.797769  
1 1 1 -11 75  8  o 101.485 3.0001  5601.92    329.771  5694.39    466.752  5509.77    465.981  102.103 4.2206  100.421 4.2843  1.681870       6.014041  
1 1 1 -11 75  9  f 26.076  5.8206  388.953    160.225  461.341    238.528  329.435    216.287  28.285  7.6163  24.288  7.4830  3.997456       10.67726  
1 1 1 -11 75  10 o 59.653  2.4427  1933.42    157.823  1740.50    323.047  1993.90    180.878  56.001  5.3927  60.552  2.7580  -4.551186      6.056990  
1 1 1 -11 75  11 o 97.060  3.0560  5129.81    321.264  5076.87    459.767  5180.32    449.093  96.273  4.4092  97.285  4.2621  -1.012054      6.132395  
1 1 1 -11 75  12 o 44.552  5.4108  1109.76    255.738  1433.16    380.728  843.894    345.211  50.169  7.2141  37.905  8.6051  12.26402       11.22907  
1 1 1 -11 75  13 o 76.911  4.3216  3254.26    358.542  3115.69    517.295  3382.37    497.399  74.532  6.4723  77.883  5.9413  -3.351547      8.785789  
1 1 1 -11 75  14 o 49.226  3.8691  1334.58    204.625  1373.51    292.379  1297.20    286.477  49.519  5.5467  48.090  5.6052  1.429043       7.885699  
1 1 1 -11 75  15 o 18.028  6.7553  141.006    178.172  272.363    241.250  -16.6120   264.268  22.849  7.9522  17.471  7.5692  5.377949       10.97865  
1 1 1 -11 75  16 o 32.068  5.5924  587.826    187.180  411.484    268.613  754.282    260.976  26.697  8.3581  36.001  6.9445  -9.304522      10.86665  
1 1 1 -11 75  17 o 53.309  4.0769  1575.19    233.610  1380.04    358.575  1719.10    307.927  48.802  6.9829  55.319  5.2004  -6.517059      8.706589  
1 1 1 -11 75  18 o 28.376  6.9746  481.281    212.843  506.213    321.625  461.854    283.902  28.880  9.1596  27.687  8.5804  1.193560       12.55077  
1 1 1 -11 75  19 o 21.207  8.0227  218.083    252.610  376.702    401.786  114.399    324.843  26.510  10.097  20.746  8.6644  5.764624       13.30460  
1 1 1 -11 75  20 o 31.906  1.6856  555.458    58.043   199.841    433.393  561.953    58.570   24.005  10.015  32.092  1.6910  -8.086874      10.15703  
1 1 1 -11 75  21 o 28.151  7.8699  494.262    249.290  452.734    367.930  529.505    338.949  27.269  9.7904  28.830  9.4268  -1.560349      13.59106  
1 1 1 -11 75  22 o 15.871  7.2405  -112.7801  276.000  287.377    450.533  -353.1710  349.196  24.984  10.299  15.593  7.4372  9.390773       12.70344  
1 1 1 -11 75  23 o 27.800  9.4672  506.627    341.289  401.565    452.461  645.306    519.834  26.402  10.523  30.517  11.517  -4.115602      15.60052  
1 1 1 -11 75  24 o 15.652  7.3815  -254.5579  325.623  -323.5013  429.891  -161.7615  498.744  17.687  8.3832  20.433  9.4701  -2.745825      12.64753  
1 1 1 -11 76  1  o 52.164  3.3807  1486.88    189.976  1443.06    262.063  1535.42    275.796  51.154  4.7855  52.761  4.8815  -1.606873      6.835946  
1 1 1 -11 76  2  o 60.770  3.2641  2014.79    214.057  2027.01    299.275  2001.99    306.292  60.740  4.5829  60.334  4.7248  0.4053764      6.582272  
1 1 1 -11 76  3  f 41.778  4.6075  965.140    205.022  915.996    414.291  981.078    235.939  39.569  9.7337  41.988  5.3065  -2.418739      11.08624  
1 1 1 -11 76  4  o 73.737  2.8329  2954.87    226.247  2961.76    338.733  2949.32    304.002  73.538  4.2712  73.462  3.8340  0.7526398E-01  5.739573  
1 1 1 -11 76  5  o 86.794  3.1145  4097.40    292.785  4021.87    412.578  4174.03    415.558  85.683  4.4611  87.304  4.4089  -1.621475      6.272188  
1 1 1 -11 76  6  o 53.308  3.5238  1554.54    202.309  1444.01    281.539  1672.55    290.906  51.070  5.1606  55.049  4.9313  -3.978752      7.137920  
1 1 1 -11 76  7  o 52.314  3.7492  1499.75    211.027  1527.66    282.908  1464.75    316.841  52.557  5.0313  51.276  5.8074  1.281502       7.683792  
1 1 1 -11 76  8  o 92.139  3.0630  4619.65    305.673  4947.88    433.445  4294.90    431.137  95.155  4.2057  88.482  4.5137  6.672569       6.169383  
1 1 1 -11 76  9  o 128.235 3.1802  8954.37    441.700  8510.08    619.960  9412.39    629.466  124.644 4.5922  131.136 4.4318  -6.492500      6.381946  
1 1 1 -11 76  10 o 91.573  3.1300  4567.03    310.443  4547.57    445.289  4585.44    433.032  91.101  4.5128  91.513  4.3688  -0.4120407     6.281121  
1 1 1 -11 76  11 o 38.008  6.2697  820.700    249.102  1053.58    397.719  670.373    319.543  42.360  8.9491  33.780  8.6853  8.579334       12.47078  
1 1 1 -11 76  12 o 75.830  4.1533  3158.82    339.819  3029.55    476.812  3292.25    484.433  73.682  6.0275  76.889  5.8612  -3.206802      8.407350  
1 1 1 -11 76  13 o 31.534  5.7202  566.910    188.177  773.931    251.583  304.004    283.515  36.740  6.5632  24.356  8.6101  12.38328       10.82629  
1 1 1 -11 76  14 o 63.761  3.6130  2230.20    248.486  2468.56    355.577  2002.69    347.390  66.728  4.9553  59.928  5.4104  6.800381       7.336675  
1 1 1 -11 76  15 o 59.185  3.6715  1925.79    234.193  2276.80    351.135  1644.53    314.314  63.945  5.1127  54.183  5.4289  9.761410       7.457359  
1 1 1 -11 76  16 o 13.789  6.1035  -48.4190   180.210  -282.4322  279.772  117.526    235.595  14.525  6.8477  18.959  7.5809  -4.434025      10.21574  
1 1 1 -11 76  17 o 40.280  4.9579  916.723    211.736  817.563    296.778  1019.52    302.175  36.998  7.6583  41.747  6.9256  -4.748947      10.32535  
1 1 1 -11 76  18 o 42.654  5.0908  1035.02    230.542  1216.72    352.049  898.584    305.050  45.154  7.4588  38.626  7.5623  6.528454       10.62174  
1 1 1 -11 76  19 o 70.826  3.9854  2793.02    304.484  2727.16    447.461  2849.81    415.520  68.765  6.0702  70.705  5.4684  -1.940468      8.170098  
1 1 1 -11 76  20 o 14.772  2.0130  121.159    31.369   360.772    338.915  119.089    31.504   25.312  9.3497  14.638  2.0427  10.67373       9.570291  
1 1 1 -11 76  21 o 27.949  7.9294  489.551    251.146  440.636    369.874  531.395    342.097  26.952  9.7966  28.787  9.4733  -1.835262      13.62783  
1 1 1 -11 76  22 o 18.582  7.9290  67.545     281.736  233.207    427.549  -59.5976   374.559  23.837  9.9465  19.089  8.5989  4.747576       13.14817  
1 1 1 -11 76  23 f 27.727  9.9195  503.545    377.378  1101.13    547.298  -38.1064   521.055  38.167  11.927  22.005  10.004  16.16165       15.56732  
1 1 1 -11 77  1  o 97.542  2.9716  5172.95    313.939  4962.94    439.276  5392.21    448.832  95.344  4.2537  99.398  4.1690  -4.053642      5.956108  
1 1 1 -11 77  2  o 39.711  4.2051  870.196    178.114  798.850    247.274  947.130    256.776  37.592  6.2958  41.091  5.9420  -3.499668      8.657090  
1 1 1 -11 77  3  o 59.710  5.3480  1970.97    342.205  1635.25    475.366  2332.10    493.019  53.486  8.4894  64.499  7.1792  -11.01303      11.11800  
1 1 1 -11 77  4  o 32.057  5.3549  578.559    179.371  500.280    250.338  661.148    257.136  29.452  7.7446  33.917  7.2210  -4.465040      10.58877  
1 1 1 -11 77  5  o 89.840  3.0588  4390.60    297.636  4328.57    424.890  4450.36    417.062  88.990  4.4082  90.260  4.2661  -1.269653      6.134536  
1 1 1 -11 77  6  o 97.667  3.1016  5190.38    328.100  5268.39    460.125  5109.68    467.981  98.178  4.3270  96.658  4.4701  1.519966       6.221366  
1 1 1 -11 77  7  o 64.229  3.3921  2253.46    235.140  2046.86    333.794  2456.96    331.296  60.865  5.1107  66.839  4.6044  -5.974308      6.878907  
1 1 1 -11 77  8  o 52.142  3.7367  1490.96    209.632  1667.11    300.471  1323.90    292.614  54.866  5.1152  48.712  5.6511  6.153542       7.622332  
1 1 1 -11 77  9  o 44.055  4.3886  1072.84    206.623  1362.68    284.344  748.559    300.765  49.473  5.3939  35.876  7.9494  13.59731       9.606598  
1 1 1 -11 77  10 o 124.148 4.5450  8450.90    611.148  8846.45    861.576  8050.31    867.039  126.306 6.2980  120.139 6.6898  6.167191       9.187895  
1 1 1 -11 77  11 o 79.818  4.6471  3509.92    400.013  3427.27    556.610  3598.19    575.259  78.186  6.6355  80.101  6.6919  -1.915268      9.423985  
1 1 1 -11 77  12 o 101.092 3.1593  5572.74    345.924  5511.50    493.585  5631.85    484.951  100.167 4.5495  101.295 4.4202  -1.127800      6.343207  
1 1 1 -11 77  13 o 84.866  3.2241  3929.87    296.354  3802.30    430.331  4044.96    408.719  82.965  4.8095  85.710  4.4178  -2.744423      6.530580  
1 1 1 -11 77  14 o 66.937  3.5434  2457.52    255.977  2192.45    380.300  2677.09    346.122  62.588  5.6716  69.570  4.6197  -6.982273      7.314965  
1 1 1 -11 77  15 o 64.516  3.4421  2284.69    239.654  2341.12    346.549  2232.96    331.778  64.845  4.9721  63.356  4.8723  1.489403       6.961342  
1 1 1 -11 77  16 o 17.756  2.4957  175.202    46.671   748.871    298.350  160.812    47.252   35.351  7.9810  16.968  2.6585  18.38373       8.412164  
1 1 1 -11 77  17 o 54.435  4.0483  1647.88    236.977  1755.30    367.257  1571.24    310.195  55.228  6.2495  52.558  5.5322  2.670448       8.346373  
1 1 1 -11 77  18 o 30.734  7.6240  576.570    252.566  1094.94    403.222  241.883    324.000  41.747  9.1685  22.996  8.9844  18.75116       12.83670  
1 1 1 -11 77  19 o 45.836  5.4808  1207.44    266.701  1035.80    367.916  1397.52    387.164  40.765  8.6031  48.113  7.6885  -7.347401      11.53801  
1 1 1 -11 77  20 o 16.102  7.1238  -35.0803   245.197  -149.6016  374.057  51.204     324.684  18.333  8.3889  19.594  8.4396  -1.261238      11.89957  
1 1 1 -11 77  21 o 43.455  2.4571  1038.09    115.173  1215.91    403.082  1022.29    120.184  43.597  8.8387  43.088  2.5873  0.5097008      9.209630  
1 1 1 -11 77  22 o 58.604  5.0343  1974.54    316.447  2338.22    524.823  1766.79    396.664  61.150  8.1252  54.052  6.9354  7.097549       10.68264  
1 1 1 -11 77  23 o 33.905  9.3039  773.380    352.000  928.873    469.590  573.957    531.802  35.860  11.022  29.424  11.506  6.436337       15.93389  
1 1 1 -11 78  1  o 99.961  2.8494  5432.29    308.498  5121.81    415.602  5813.30    460.392  96.887  3.9604  103.189 4.1193  -6.301903      5.714331  
1 1 1 -11 78  2  f 38.976  4.4849  841.249    185.877  866.820    295.231  824.456    239.248  38.930  7.2691  38.261  5.9681  0.6693420      9.405185  
1 1 1 -11 78  3  o 115.782 4.4058  7328.18    552.505  7334.02    753.880  7321.41    812.083  115.198 6.0634  114.907 6.5522  0.2918549      8.927300  
1 1 1 -11 78  4  o 211.434 4.1386  24414.83   947.761  23849.47   1339.58  24981.47   1341.10  208.045 5.9448  213.006 5.8130  -4.960358      8.314555  
1 1 1 -11 78  5  o 56.131  3.6834  1725.21    222.697  1453.55    313.896  2000.52    315.997  51.070  5.7764  60.225  4.8865  -9.155392      7.565962  
1 1 1 -11 78  6  o 75.987  3.1318  3143.05    257.756  3024.62    360.148  3267.42    369.059  74.207  4.5022  77.154  4.4351  -2.946571      6.319762  
1 1 1 -11 78  7  o 21.222  6.8608  244.092    179.787  47.257     248.650  459.739    260.261  18.189  7.5872  28.267  8.0903  -10.07784      11.09137  
1 1 1 -11 78  8  o 21.190  6.5818  248.645    166.943  107.842    228.990  408.382    243.900  18.782  7.4858  26.738  7.8843  -7.955610      10.87198  
1 1 1 -11 78  9  o 68.963  4.5785  2618.86    340.045  2364.02    502.067  2834.83    462.195  64.679  7.2943  71.338  6.0385  -6.659439      9.469436  
1 1 1 -11 78  10 o 134.923 4.5386  9988.42    663.251  9605.93    936.129  10373.94   939.840  131.211 6.6083  136.654 6.3498  -5.443253      9.164585  
1 1 1 -11 78  11 o 117.435 3.2315  7521.48    411.028  7092.74    592.830  7918.36    570.384  113.551 4.8203  120.139 4.3834  -6.588402      6.515302  
1 1 1 -11 78  12 o 85.539  3.2340  3991.89    299.626  3951.02    428.909  4030.85    418.743  84.630  4.6976  85.536  4.5361  -0.9058685     6.530230  
1 1 1 -11 78  13 o 106.038 3.1934  6136.97    366.768  6281.98    523.734  5997.41    513.786  106.866 4.5248  104.410 4.5433  2.455132       6.412134  
1 1 1 -11 78  14 o 83.452  3.2530  3805.94    294.031  3728.42    415.286  3883.87    416.361  82.071  4.6913  83.802  4.6048  -1.731201      6.573659  
1 1 1 -11 78  15 o 21.942  7.3120  264.580    203.572  183.340    311.656  325.038    268.853  22.105  8.7574  24.403  8.4004  -2.298359      12.13500  
1 1 1 -11 78  16 o 29.286  2.2916  470.230    72.109   889.091    298.323  444.239    74.313   38.725  7.3820  28.437  2.4363  10.28844       7.773581  
1 1 1 -11 78  17 o 15.277  6.5558  9.2497     194.572  120.038    321.128  -55.0150   244.578  20.853  8.6540  15.928  7.0774  4.925446       11.17945  
1 1 1 -11 78  18 o 27.247  7.5981  452.016    232.674  649.835    330.996  258.777    327.141  32.095  9.1022  23.345  9.0536  8.750423       12.83814  
1 1 1 -11 78  19 o 55.542  4.5024  1737.84    268.525  1902.30    380.089  1573.96    379.415  57.147  6.2423  51.483  6.9846  5.664146       9.367505  
1 1 1 -11 78  20 o 28.689  7.5431  510.217    237.498  550.735    330.295  466.842    341.743  29.326  9.2803  27.432  9.4693  1.894051       13.25862  
1 1 1 -11 78  21 o 26.521  1.6908  384.651    48.313   301.644    362.894  386.149    48.747   24.136  9.4853  26.571  1.7028  -2.434734      9.636978  
1 1 1 -11 78  22 f 44.448  8.4813  1265.47    393.408  1409.32    564.605  1129.72    548.472  43.904  11.672  38.903  11.905  5.001251       16.67215  
1 1 1 -11 78  23 o 16.598  7.6745  -162.3004  324.714  -206.5081  432.628  -105.2674  491.393  18.798  8.7488  20.893  9.5802  -2.094986      12.97394  
1 1 1 -11 79  1  o 44.390  3.8756  1083.20    184.466  1074.97    260.216  1091.51    261.536  43.867  5.6049  44.213  5.5861  -0.3461800     7.913268  
1 1 1 -11 79  2  o 22.284  6.0547  282.930    149.942  258.265    213.035  307.144    211.079  22.189  7.4801  23.576  7.4137  -1.387009      10.53162  
1 1 1 -11 79  3  o 77.485  4.7880  3301.83    399.857  3361.45    557.166  3238.51    574.185  77.628  6.6921  76.064  7.0496  1.563866       9.720112  
1 1 1 -11 79  4  o 65.946  3.3389  2374.89    237.704  2511.04    334.311  2235.68    338.050  67.569  4.5954  63.660  4.9415  3.908356       6.748052  
1 1 1 -11 79  5  o 101.349 3.0645  5590.78    336.393  5603.46    474.354  5577.94    477.121  101.210 4.3272  100.971 4.3628  0.2390976      6.144801  
1 1 1 -11 79  6  o 44.680  4.1154  1100.25    196.919  1019.79    302.092  1159.71    259.668  42.360  6.8155  45.616  5.3577  -3.256008      8.669233  
1 1 1 -11 79  7  o 32.579  5.3222  598.526    181.316  545.535    264.826  645.284    248.766  30.624  7.9237  33.444  7.0877  -2.820204      10.63110  
1 1 1 -11 79  8  o 84.357  4.4899  3910.88    408.756  3836.25    581.183  3983.93    575.003  82.878  6.5273  84.544  6.3252  -1.666267      9.089232  
1 1 1 -11 79  9  o 19.136  7.6069  116.531    235.889  358.100    305.805  -238.3898  370.671  26.007  8.9587  18.084  8.3026  7.923437       12.21439  
1 1 1 -11 79  10 o 109.385 3.7833  6541.68    448.224  6062.04    555.318  7438.29    759.254  104.967 4.8845  115.627 6.0840  -10.65989      7.802087  
1 1 1 -11 79  11 o 72.260  3.4638  2851.33    271.098  2954.32    381.615  2746.39    385.189  73.112  4.8466  70.409  5.0852  2.702713       7.024856  
1 1 1 -11 79  12 o 69.472  3.5708  2645.29    267.778  2433.69    375.853  2863.41    381.603  66.153  5.2899  71.908  4.9294  -5.754326      7.230620  
1 1 1 -11 79  13 o 56.233  3.9263  1742.48    237.635  1804.69    322.278  1668.37    351.791  56.840  5.2958  54.370  6.0778  2.469971       8.061383  
1 1 1 -11 79  14 o 39.134  5.3042  865.498    219.034  792.966    322.989  927.256    298.036  36.427  8.3631  39.901  7.1594  -3.473927      11.00903  
1 1 1 -11 79  15 o 75.431  3.3917  3121.16    277.103  3228.30    396.728  3019.11    387.212  76.072  4.8402  73.535  4.8895  2.537277       6.880033  
1 1 1 -11 79  16 o 4.4917  2.0959  -24.0427   25.083   26.772     334.830  -24.3295   25.154   19.820  8.5535  4.4899  2.0963  15.33005       8.806624  
1 1 1 -11 79  17 o 64.313  4.1469  2305.67    287.328  2463.15    443.032  2191.35    377.481  65.272  6.3470  61.921  5.6921  3.350521       8.525525  
1 1 1 -11 79  18 o 62.370  4.1694  2173.60    280.031  2250.60    424.499  2114.28    372.605  62.216  6.3902  60.689  5.7365  1.527401       8.587339  
1 1 1 -11 79  19 o 15.482  6.7664  -13.2406   215.088  -29.3324   308.238  2.0311     300.280  18.068  7.9906  18.293  7.9949  -0.2252369     11.30350  
1 1 1 -11 79  20 o 29.859  7.4226  552.569    239.016  319.229    347.435  762.224    329.330  24.402  9.3661  34.418  8.8001  -10.01658      12.85169  
1 1 1 -11 79  21 o 12.473  2.3583  87.961     30.693   460.035    444.315  86.177     30.766   27.553  10.588  12.337  2.3887  15.21510       10.85406  
1 1 1 -11 79  22 o 36.875  8.6000  882.299    337.173  978.472    413.303  690.929    583.011  37.851  9.9502  31.429  12.115  6.421755       15.67729  
1 1 1 -11 80  1  o 48.623  3.7054  1297.14    193.673  1302.07    273.009  1292.15    274.789  48.394  5.2949  48.192  5.3550  0.2015457      7.530737  
1 1 1 -11 80  2  o 31.774  8.3997  587.767    293.464  839.541    413.640  332.605    416.414  37.693  9.9762  27.323  10.309  10.37008       14.34579  
1 1 1 -11 80  3  o 80.504  3.6351  3535.04    316.961  3480.48    376.852  3666.94    585.970  79.634  4.3861  81.031  6.7377  -1.397476      8.039533  
1 1 1 -11 80  4  o 43.113  4.0947  1024.82    188.914  720.702    276.343  1291.63    258.843  35.317  7.4582  48.251  5.0267  -12.93397      8.994010  
1 1 1 -11 80  5  o 73.411  3.3508  2937.03    266.430  2991.66    380.251  2884.34    373.420  73.700  4.7896  72.360  4.7918  1.339989       6.775048  
1 1 1 -11 80  6  o 39.688  4.6571  875.081    196.386  812.674    274.345  940.669    281.248  37.652  6.9844  40.683  6.6097  -3.030266      9.616075  
1 1 1 -11 80  7  o 59.873  4.9748  1983.40    319.691  2178.97    458.225  1797.92    446.237  62.186  6.9207  56.220  7.5165  5.965878       10.21732  
1 1 1 -11 80  8  o 27.482  7.4480  437.569    227.231  446.376    327.046  429.350    315.948  28.296  9.2602  27.791  9.1020  0.5043201      12.98454  
1 1 1 -11 80  9  f 86.991  3.5794  4132.86    337.254  4014.44    421.129  4344.61    563.135  85.393  4.5698  88.367  5.9179  -2.973541      7.476964  
1 1 1 -11 80  10 o 130.524 3.2864  9294.40    464.594  9617.89    669.647  8994.17    645.109  132.279 4.6739  127.926 4.6559  4.353783       6.597217  
1 1 1 -11 80  11 o 85.593  3.3259  3999.46    308.328  3429.31    452.783  4492.44    421.031  78.591  5.3511  90.474  4.2966  -11.88317      6.862532  
1 1 1 -11 80  12 o 64.824  3.6050  2306.31    252.111  2404.25    365.071  2217.03    348.577  65.738  5.1690  63.120  5.1435  2.618195       7.292052  
1 1 1 -11 80  13 f 51.020  4.2107  1441.43    230.605  1318.02    335.856  1551.50    317.192  47.993  6.6389  52.493  5.6689  -4.500290      8.729926  
1 1 1 -11 80  14 o 69.416  3.5739  2651.46    267.790  2702.97    388.090  2604.63    369.984  69.487  5.1941  68.269  5.0393  1.217026       7.236934  
1 1 1 -11 80  15 o 39.728  5.5767  902.879    233.353  771.291    362.936  995.612    304.677  35.220  9.3557  41.125  7.0966  -5.904236      11.74270  
1 1 1 -11 80  16 o 68.334  2.6505  2554.05    196.175  1895.55    390.777  2775.92    226.829  57.220  6.4158  71.159  2.9431  -13.93852      7.058653  
1 1 1 -11 80  17 o 45.902  4.7919  1191.92    234.724  1381.92    356.998  1047.25    311.528  48.359  7.0210  41.949  7.1104  6.409626       9.992657  
1 1 1 -11 80  18 o 30.721  7.0696  572.251    230.348  868.737    335.731  308.543    316.629  37.272  8.5043  24.071  9.0081  13.20082       12.38828  
1 1 1 -11 80  19 o 33.787  7.1428  695.344    253.218  697.892    385.946  693.418    335.532  32.565  9.9898  32.799  9.1164  -0.2345085     13.52426  
1 1 1 -11 80  20 o 16.543  7.2177  1.0817     243.796  -211.3088  386.136  141.871    314.381  17.891  8.3061  20.647  8.5649  -2.756254      11.93103  
1 1 1 -11 80  21 f 27.570  7.9902  482.983    252.434  512.043    388.805  461.807    331.900  28.146  10.069  26.948  9.3303  1.197931       13.72700  
1 1 1 -11 80  22 o 28.168  8.8696  516.424    302.009  602.327    394.378  394.617    469.619  29.880  10.177  26.547  10.672  3.332603       14.74648  
1 1 1 -11 81  1  o 96.785  2.7883  5095.21    292.297  5180.89    394.514  4990.94    435.219  97.426  3.7387  95.524  4.2065  1.902122       5.627846  
1 1 1 -11 81  2  o 104.367 4.5272  5967.19    511.755  5869.72    724.033  6064.51    723.429  102.679 6.5444  104.426 6.4274  -1.746109      9.172834  
1 1 1 -11 81  3  o 120.943 3.1174  7965.30    408.358  7530.37    577.333  8400.75    577.678  117.231 4.5469  123.896 4.3049  -6.664513      6.261466  
1 1 1 -11 81  4  o 139.731 3.3064  10640.67   500.402  10337.18   704.388  10949.90   711.010  137.269 4.7377  141.314 4.6454  -4.044678      6.635167  
1 1 1 -11 81  5  o 10.370  3.6708  50.917     51.551   700.221    246.309  21.172     52.719   34.933  6.7542  8.9566  3.5844  25.97643       7.646401  
1 1 1 -11 81  6  o 74.168  4.3460  3023.60    347.596  3389.45    528.058  2743.88    461.740  77.926  6.3107  70.121  6.1416  7.804543       8.805883  
1 1 1 -11 81  7  o 99.152  4.3526  5388.46    467.433  5751.81    667.221  5038.26    655.047  101.692 6.0857  95.019  6.4022  6.673286       8.833116  
1 1 1 -11 81  8  o 95.780  3.5916  5010.24    372.595  4742.80    456.815  5541.75    643.995  92.956  4.5373  99.824  5.9839  -6.867691      7.509606  
1 1 1 -11 81  9  f 68.723  3.4099  2577.78    253.809  2695.91    364.725  2466.87    353.424  69.841  4.8517  66.774  4.9214  3.066780       6.910782  
1 1 1 -11 81  10 o 97.162  3.1986  5150.05    336.610  5132.05    485.400  5166.73    467.198  96.603  4.6391  96.989  4.4474  -0.3856659     6.426601  
1 1 1 -11 81  11 o 134.159 3.3055  9830.91    480.314  9647.72    683.501  10009.63   675.110  132.295 4.7701  134.825 4.6231  -2.530396      6.642810  
1 1 1 -11 81  12 o 90.411  3.1707  4465.45    310.488  4433.39    437.986  4497.84    440.214  89.575  4.5291  90.343  4.4988  -0.7676697     6.383786  
1 1 1 -11 81  13 o 58.786  3.8698  1907.57    245.017  2008.40    353.424  1814.27    339.979  59.756  5.5232  56.739  5.6055  3.016308       7.869356  
1 1 1 -11 81  14 o 29.831  7.2371  530.401    231.444  360.503    339.823  677.395    316.088  25.930  9.3956  33.310  8.6752  -7.380951      12.78809  
1 1 1 -11 81  15 o 57.685  4.1906  1853.94    260.034  1908.59    400.699  1814.18    341.777  57.406  6.5625  56.415  5.6702  0.9908638      8.672768  
1 1 1 -11 81  16 o 60.569  2.6136  2006.43    171.463  2270.30    410.745  1950.74    188.689  62.821  6.1142  59.650  2.9205  3.170303       6.775905  
1 1 1 -11 81  17 o 22.914  7.6922  301.910    225.273  358.198    376.275  270.463    281.248  25.878  9.7911  22.851  8.5020  3.026968       12.96727  
1 1 1 -11 81  18 o 22.190  1.4667  268.789    35.052   -139.3665  333.790  273.341    35.247   17.430  7.9559  22.378  1.4622  -4.948757      8.089147  
1 1 1 -11 81  19 o 31.538  6.9028  605.157    229.248  511.035    339.310  684.206    310.955  28.392  9.4390  32.727  8.6438  -4.335276      12.79889  
1 1 1 -11 81  20 o 18.204  7.4757  106.652    236.273  233.497    366.153  16.151     309.280  23.042  9.3662  18.549  8.1102  4.492870       12.38959  
1 1 1 -11 81  21 o 17.699  7.7471  8.7919     282.913  18.196     366.122  -5.1458    445.716  19.834  8.7434  21.192  9.4757  -1.357378      12.89323  
1 1 1 -11 82  1  o 25.885  5.7433  384.022    156.809  303.508    227.092  457.396    216.790  23.608  7.7160  28.106  7.1149  -4.497156      10.49560  
1 1 1 -11 82  2  o 58.526  5.5216  1904.64    345.879  1727.31    488.417  2083.04    489.879  54.737  8.5151  60.542  7.6409  -5.804756      11.44067  
1 1 1 -11 82  3  o 20.207  2.1233  224.166    45.778   217.420    46.685   392.690    233.330  19.887  2.2045  26.204  7.7072  -6.317520      8.016295  
1 1 1 -11 82  4  o 52.247  2.4646  1483.84    139.472  1416.74    156.132  1748.87    310.302  50.943  2.8410  56.144  5.1606  -5.201126      5.890917  
1 1 1 -11 82  5  o 53.159  4.7352  1563.64    269.779  1770.34    405.886  1400.06    361.082  55.981  6.8362  49.678  6.8968  6.302799       9.710786  
1 1 1 -11 82  6  o 42.160  5.9219  1001.98    262.957  1068.84    361.151  926.547    383.619  42.915  8.0658  39.589  9.1327  3.326725       12.18458  
1 1 1 -11 82  7  o 100.792 3.5249  5546.56    384.811  5558.33    481.709  5525.79    639.713  100.666 4.4181  99.693  5.9516  0.9728699      7.412227  
1 1 1 -11 82  8  o 159.396 3.4969  13873.01   603.716  13551.94   853.843  14193.99   853.725  156.857 5.0258  160.592 4.9082  -3.735031      7.024881  
1 1 1 -11 82  9  o 131.181 3.2954  9391.94    468.228  9575.36    660.277  9206.40    664.088  131.965 4.6195  129.346 4.7403  2.619049       6.618927  
1 1 1 -11 82  10 o 108.238 3.2217  6395.78    377.695  6650.34    535.571  6143.91    532.723  109.954 4.4971  105.626 4.6565  4.328415       6.473584  
1 1 1 -11 82  11 o 65.136  3.7015  2331.66    260.057  2087.07    367.209  2577.76    368.347  61.028  5.6185  68.089  5.0303  -7.061325      7.541349  
1 1 1 -11 82  12 o 84.443  3.3520  3903.79    306.572  3987.74    432.477  3819.01    434.647  84.770  4.7291  82.895  4.8623  1.874985       6.782822  
1 1 1 -11 82  13 o 21.600  7.5991  245.596    220.588  264.742    322.616  228.786    302.291  23.788  9.0503  22.696  8.7306  1.091190       12.57502  
1 1 1 -11 82  14 f 49.031  4.4264  1344.96    232.530  1316.96    337.506  1370.25    320.821  47.545  6.7429  48.761  6.2160  -1.216179      9.170899  
1 1 1 -11 82  15 o 84.419  3.5076  3926.01    320.718  3610.27    481.340  4178.10    430.100  79.737  5.6092  86.444  4.6104  -6.706955      7.260737  
1 1 1 -11 82  16 o 67.468  2.6459  2490.81    193.348  2659.56    379.732  2431.75    224.650  68.566  5.1509  66.530  3.1176  2.035660       6.020922  
1 1 1 -11 82  17 o 70.792  3.9621  2790.81    302.570  2814.86    427.776  2766.73    428.021  70.094  5.6836  69.450  5.7416  0.6438293      8.078946  
1 1 1 -11 82  18 f 66.110  2.9890  2404.46    214.021  2999.44    462.597  2242.42    241.411  71.960  5.9897  63.561  3.5204  8.399265       6.947670  
1 1 1 -11 82  19 o 26.228  7.9957  427.653    247.726  383.999    420.422  450.871    306.606  26.338  10.250  26.876  8.9742  -0.5386524     13.62329  
1 1 1 -11 82  20 f 58.543  5.0270  1965.43    315.662  2080.15    540.944  1906.19    388.706  56.933  9.0772  56.660  6.4488  0.2733269      11.13472  
1 1 1 -11 82  21 o 49.979  6.9644  1511.45    366.754  1644.13    521.265  1381.38    516.110  49.518  10.062  44.566  10.804  4.951439       14.76417  
1 1 1 -11 83  1  o 123.348 4.5246  8345.35    604.473  7339.74    843.984  9404.49    866.156  114.566 6.8326  130.248 6.1398  -15.68214      9.185976  
1 1 1 -11 83  2  o 90.142  3.5409  4435.06    345.706  4323.12    410.178  4709.57    642.340  88.841  4.2627  91.833  6.5000  -2.991394      7.773067  
1 1 1 -11 83  3  o 27.026  5.9053  419.303    168.029  555.506    236.291  279.969    238.991  30.936  7.1889  23.118  7.9221  7.818247       10.69764  
1 1 1 -11 83  4  o 42.381  5.1951  1003.38    233.475  983.306    357.411  1018.32    308.360  41.047  8.3241  42.202  6.9908  -1.155811      10.87024  
1 1 1 -11 83  5  o 70.185  4.4866  2712.94    339.279  3028.99    482.106  2402.82    477.552  73.672  6.0966  65.299  6.8544  8.372887       9.173407  
1 1 1 -11 83  6  o 97.119  3.6318  5152.36    382.031  5334.77    477.713  4828.71    636.308  98.605  4.4730  92.999  6.3552  5.605278       7.771473  
1 1 1 -11 83  7  o 79.762  3.2443  3470.04    280.272  3302.80    393.308  3642.58    399.494  77.373  4.7158  81.318  4.5541  -3.945328      6.555788  
1 1 1 -11 83  8  o 80.939  3.2159  3574.30    281.921  3531.28    401.317  3616.21    396.127  79.998  4.6518  80.994  4.5337  -0.9968948     6.495684  
1 1 1 -11 83  9  o 60.803  3.5710  2028.76    234.143  1819.92    329.044  2242.98    333.253  57.094  5.3846  63.595  4.8753  -6.500782      7.263772  
1 1 1 -11 83  10 o 76.019  3.2674  3157.76    269.023  3419.73    382.291  2900.77    378.646  78.671  4.5052  72.316  4.8625  6.355751       6.628820  
1 1 1 -11 83  11 o 13.225  2.1834  97.643     30.185   420.191    289.686  94.103     30.350   27.019  8.7061  12.968  2.2418  14.05080       8.990078  
1 1 1 -11 83  12 o 59.358  2.2536  1918.62    144.887  1494.68    323.728  2024.81    162.020  51.262  5.9407  60.948  2.4544  -9.685738      6.427755  
1 1 1 -11 83  13 o 43.997  4.7354  1088.81    222.103  1060.64    321.809  1114.44    306.923  42.398  7.2694  43.745  6.6905  -1.346455      9.879658  
1 1 1 -11 83  14 o 21.901  7.5307  264.574    216.040  589.304    338.008  40.293     280.907  30.832  9.3265  18.572  7.9209  12.26003       12.23619  
1 1 1 -11 83  15 o 31.891  6.5120  602.286    217.325  362.498    317.928  812.602    297.751  25.446  9.1045  36.618  7.7490  -11.17213      11.95574  
1 1 1 -11 83  16 o 30.174  1.1327  494.033    37.018   124.121    333.564  498.646    37.248   21.100  8.7934  30.314  1.1345  -9.214025      8.866248  
1 1 1 -11 83  17 o 38.461  6.3773  873.294    256.353  676.488    398.713  1011.98    334.705  32.257  10.195  40.644  7.8876  -8.386944      12.89000  
1 1 1 -11 83  18 o 43.154  2.7332  1026.18    127.089  1857.18    383.958  923.938    134.680  56.200  6.4232  40.846  3.0666  15.35376       7.117675  
1 1 1 -11 83  19 o 23.723  7.9935  337.125    243.279  40.114     406.905  502.357    303.496  21.102  9.2624  28.070  8.8972  -6.967825      12.84341  
1 1 1 -11 83  20 o 25.081  8.8982  379.604    303.068  249.337    401.650  551.828    461.828  23.789  9.7554  29.256  10.893  -5.466822      14.62266  
1 1 1 -11 84  1  o 131.917 4.8186  9565.13    688.477  9770.17    989.809  9372.95    958.264  132.116 6.9414  129.445 6.8593  2.670654       9.758780  
1 1 1 -11 84  2  o 74.521  3.4988  3031.18    282.400  2839.97    462.353  3144.95    356.658  71.345  6.0400  75.619  4.3733  -4.273827      7.457013  
1 1 1 -11 84  3  o 60.232  4.1893  1996.30    271.600  2115.66    406.197  1899.79    365.258  61.459  6.1862  58.309  5.8630  3.149948       8.523078  
1 1 1 -11 84  4  o 24.313  7.5094  332.987    217.662  384.473    311.945  284.136    303.857  26.673  9.0513  24.298  8.8722  2.375422       12.67442  
1 1 1 -11 84  5  o 72.220  3.3364  2845.73    260.980  2876.15    360.407  2812.20    378.413  72.214  4.6323  71.319  4.9291  0.8955383      6.764183  
1 1 1 -11 84  6  o 114.415 3.1974  7140.17    396.236  6995.22    566.984  7278.54    553.968  112.805 4.6406  115.138 4.4422  -2.333427      6.424017  
1 1 1 -11 84  7  o 139.314 3.3398  10597.27   503.950  10575.11   712.106  10619.50   713.281  138.594 4.7438  138.885 4.7417  -0.2915649     6.707295  
1 1 1 -11 84  8  o 161.663 3.5414  14292.47   620.085  14341.49   871.217  14242.14   882.762  161.169 4.9908  160.557 5.0763  0.6122589      7.118778  
1 1 1 -11 84  9  o 88.105  3.2304  4241.02    308.270  4416.38    442.259  4075.30    429.922  89.402  4.5827  85.849  4.6409  3.552475       6.522196  
1 1 1 -11 84  10 o 30.854  2.3949  521.411    79.406   1149.76    314.003  478.483    82.074   44.711  6.6897  29.519  2.5934  15.19163       7.174823  
1 1 1 -11 84  11 o 54.115  4.0263  1621.66    234.304  1606.76    345.493  1634.35    318.824  53.116  6.1172  53.804  5.5507  -0.6883202     8.260212  
1 1 1 -11 84  12 o 43.515  4.7831  1065.25    221.711  934.418    327.828  1175.54    300.982  39.479  7.9418  45.139  6.3304  -5.659561      10.15613  
1 1 1 -11 84  13 o 28.552  1.7467  444.908    53.756   648.380    339.041  439.660    54.445   32.299  9.2303  28.378  1.7804  3.921038       9.400441  
1 1 1 -11 84  14 o 89.422  3.3383  4397.69    323.331  4286.27    468.785  4498.80    446.544  87.344  4.9759  89.717  4.6110  -2.372955      6.783864  
1 1 1 -11 84  15 o 47.574  4.9673  1282.65    252.182  1294.07    363.210  1272.01    350.414  46.564  7.4531  46.283  7.2264  0.2814178      10.38125  
1 1 1 -11 84  16 o 50.689  4.5878  1448.64    249.149  1685.33    376.020  1263.40    332.652  53.626  6.6140  46.212  6.8537  7.413773       9.524627  
1 1 1 -11 84  17 o 18.115  7.4057  102.294    230.566  44.731     334.197  154.578    318.508  19.763  8.5372  21.132  8.6791  -1.368952      12.17416  
1 1 1 -11 84  18 o 33.899  1.6278  625.414    59.765   434.162    426.207  629.250    60.362   27.303  10.399  34.001  1.6391  -6.698036      10.52724  
1 1 1 -11 84  19 o 19.589  7.7820  162.191    246.723  345.213    405.542  54.644     310.873  25.425  10.016  19.162  8.2556  6.263020       12.97978  
1 1 1 -11 84  20 o 27.543  9.0640  484.516    313.173  372.051    424.123  619.355    464.399  25.995  10.242  30.441  10.991  -4.446421      15.02321  
1 1 1 -11 85  1  o 61.427  7.9454  2161.19    516.233  0.0000     0.0000   2161.19    516.233  ?       ?       61.427  7.9454  0.000000       7.945371  
1 1 1 -11 85  2  o 106.643 4.1843  6232.38    483.307  6243.08    693.292  6222.27    674.111  105.887 6.0705  105.786 5.9070  0.1004105      8.470162  
1 1 1 -11 85  3  o 92.479  4.0986  4685.30    410.539  4744.72    584.436  4627.42    576.820  92.335  5.8744  91.183  5.8718  1.151772       8.305799  
1 1 1 -11 85  4  o 149.295 3.4398  12171.61   556.229  11869.45   782.833  12479.70   790.477  146.794 4.9237  150.559 4.8474  -3.765228      6.909436  
1 1 1 -11 85  5  o 131.938 3.2799  9501.14    468.701  9590.30    666.557  9413.94    659.192  132.032 4.6611  130.816 4.6524  1.215881       6.585649  
1 1 1 -11 85  6  o 115.171 3.2276  7240.27    402.620  7407.35    571.114  7075.20    567.682  116.045 4.5439  113.383 4.6226  2.662254       6.481918  
1 1 1 -11 85  7  o 123.918 3.2168  8384.83    431.749  8563.48    614.047  8210.15    607.182  124.721 4.5456  122.101 4.5913  2.620178       6.460821  
1 1 1 -11 85  8  o 15.597  6.5697  25.330     189.248  33.675     261.047  16.086     274.753  18.165  7.6872  18.290  7.8179  -0.1243382     10.96409  
1 1 1 -11 85  9  o 58.505  3.7736  1886.34    237.848  1691.42    323.411  2115.95    351.017  54.841  5.5198  61.468  5.3250  -6.627300      7.669719  
1 1 1 -11 85  10 o 19.391  7.1144  179.649    195.717  298.679    265.527  38.050     289.609  23.671  8.3363  18.966  8.0647  4.704981       11.59881  
1 1 1 -11 85  11 o 60.525  3.7862  2025.02    246.955  2119.91    363.586  1943.74    336.482  61.238  5.5418  58.703  5.3509  2.534573       7.703468  
1 1 1 -11 85  12 o 45.543  4.6200  1165.05    224.743  955.686    306.598  1408.18    330.404  40.129  7.3239  49.395  6.3207  -9.265999      9.674270  
1 1 1 -11 85  13 o 76.175  2.8769  3177.62    237.361  3099.62    414.953  3215.56    289.379  74.147  5.1999  76.426  3.4959  -2.279556      6.265741  
1 1 1 -11 85  14 o 80.978  3.5415  3615.16    310.613  3950.28    465.471  3346.13    417.052  83.680  5.1609  77.075  5.0233  6.605530       7.201963  
1 1 1 -11 85  15 o 38.015  5.5298  833.726    221.011  674.127    317.860  983.102    307.511  32.794  8.7760  40.511  7.2757  -7.717010      11.39975  
1 1 1 -11 85  16 o 35.198  6.3466  733.667    233.049  379.879    355.389  1000.58    308.685  25.928  9.5749  40.758  7.2586  -14.83067      12.01518  
1 1 1 -11 85  17 o 72.093  4.0848  2907.34    317.644  2827.69    478.694  2970.01    424.589  69.493  6.4328  71.959  5.4891  -2.465958      8.456475  
1 1 1 -11 85  18 o 11.455  3.3511  73.999     44.217   790.737    411.801  65.639     44.474   34.227  10.281  10.910  3.3985  23.31718       10.82823  
1 1 1 -11 85  19 o 30.088  9.7017  594.075    359.686  869.194    515.160  332.391    502.425  34.983  11.631  26.335  10.868  8.648550       15.91803  
1 1 1 -11 86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 86  2  o 114.313 4.2562  7171.75    526.968  7997.45    768.167  6437.74    724.261  119.979 5.9113  107.317 6.2581  12.66173       8.608563  
1 1 1 -11 86  3  o 67.107  3.2627  2458.24    237.145  2490.16    332.022  2425.00    338.830  67.131  4.5940  66.195  4.7576  0.9358521      6.613611  
1 1 1 -11 86  4  o 68.700  2.6636  2569.87    198.196  2522.52    238.018  2676.93    357.929  67.978  3.2327  69.546  4.7808  -1.567833      5.771202  
1 1 1 -11 86  5  o 41.676  4.5336  966.609    201.342  1293.67    300.294  699.506    271.377  47.884  5.9159  34.575  7.4653  13.30914       9.525185  
1 1 1 -11 86  6  o 32.414  6.2231  605.377    210.538  684.789    301.606  529.905    294.029  33.962  8.2753  29.957  8.6066  4.004662       11.93959  
1 1 1 -11 86  7  o 16.569  6.5654  90.241     175.200  139.784    246.198  39.413     249.373  19.762  7.7980  17.887  7.5383  1.874758       10.84595  
1 1 1 -11 86  8  o 46.283  4.1119  1188.01    203.983  1277.06    284.632  1093.99    292.479  47.528  5.6393  43.688  6.3683  3.839500       8.506265  
1 1 1 -11 86  9  o 60.686  3.7163  2031.09    243.091  2142.61    351.658  1929.03    336.412  61.769  5.3078  58.566  5.3629  3.202854       7.545475  
1 1 1 -11 86  10 o 74.667  3.5259  3063.54    285.147  3165.61    404.571  2962.79    401.959  75.204  4.9953  72.676  5.1396  2.528427       7.167177  
1 1 1 -11 86  11 o 31.869  6.5973  598.980    220.219  682.424    314.707  518.917    308.266  33.335  8.6439  29.228  8.9214  4.106569       12.42207  
1 1 1 -11 86  12 o 20.652  7.2717  226.121    202.031  203.305    303.222  244.335    270.927  22.045  8.6683  22.290  8.3344  -0.2454433     12.02503  
1 1 1 -11 86  13 o 19.922  7.4142  191.619    213.912  372.600    337.267  69.818     276.683  25.908  9.3644  18.932  7.9575  6.975910       12.28875  
1 1 1 -11 86  14 o 38.466  5.5318  852.377    223.839  1002.24    328.784  722.903    305.598  40.712  7.7391  34.188  8.3295  6.523399       11.36989  
1 1 1 -11 86  15 o 25.063  7.5526  378.712    221.967  -311.4395  341.401  884.072    292.142  15.958  7.5356  38.299  7.3093  -22.34097      10.49820  
1 1 1 -11 86  16 o 25.810  8.1195  406.546    253.157  475.859    387.830  355.087    334.170  28.016  10.052  25.159  9.2859  2.856810       13.68499  
1 1 1 -11 86  17 o 64.941  4.3979  2374.94    307.514  2386.00    438.970  2364.29    430.922  63.726  6.4486  63.508  6.3498  0.2181740      9.050121  
1 1 1 -11 86  18 o 4.2497  2.0677  -53.6436   30.376   658.612    496.616  -56.3184   30.433   31.395  11.361  4.1947  2.0472  27.19997       11.54382  
1 1 1 -11 86  19 o 41.603  7.9465  1077.67    345.011  1240.34    459.520  867.491    522.332  43.113  10.030  34.941  11.713  8.171970       15.42040  
1 1 1 -11 87  1  o 33.071  6.0798  627.500    209.747  796.598    296.467  458.036    296.788  36.871  7.6733  28.159  8.7806  8.712658       11.66097  
1 1 1 -11 87  2  o 23.711  6.6659  324.488    178.327  485.839    274.479  206.636    234.581  28.785  8.3288  21.061  7.7788  7.724802       11.39637  
1 1 1 -11 87  3  o 100.951 3.0613  5561.65    334.727  5726.37    470.734  5393.18    476.061  102.070 4.2580  98.992  4.4401  3.077553       6.151839  
1 1 1 -11 87  4  o 91.067  3.0792  4527.32    303.719  4531.59    437.469  4523.35    421.996  90.715  4.4524  90.684  4.2964  0.3076935E-01  6.187352  
1 1 1 -11 87  5  o 40.984  4.6288  938.068    201.870  805.534    273.262  1097.29    299.515  37.210  7.0380  43.769  6.5167  -6.558968      9.591758  
1 1 1 -11 87  6  o 79.917  3.2138  3492.51    278.186  3636.72    392.027  3346.25    394.815  81.064  4.4823  77.661  4.7161  3.403725       6.506390  
1 1 1 -11 87  7  o 139.154 3.3791  10607.17   509.290  10782.13   718.105  10430.10   722.404  139.523 4.7520  137.154 4.8630  2.368683       6.799222  
1 1 1 -11 87  8  o 95.083  3.1467  4949.10    324.058  5080.09    461.837  4822.06    454.819  95.821  4.4500  93.334  4.4991  2.487244       6.328066  
1 1 1 -11 87  9  o 71.739  3.3606  2824.50    261.119  2986.97    366.867  2657.68    371.738  73.195  4.6518  68.864  5.0185  4.331108       6.842858  
1 1 1 -11 87  10 o 40.927  4.8771  946.106    211.937  1107.82    302.301  789.790    297.212  43.641  6.6018  36.232  7.8042  7.408875       10.22202  
1 1 1 -11 87  11 o 46.862  4.5365  1231.49    227.375  1444.42    339.063  1057.48    306.509  49.986  6.4105  42.448  6.9040  7.537632       9.421237  
1 1 1 -11 87  12 o 14.196  6.2578  -36.0538   187.530  -56.7600   267.167  -15.9443   263.289  16.670  7.4025  17.159  7.4931  -0.4888020     10.53299  
1 1 1 -11 87  13 o 27.426  6.8676  451.306    203.546  316.722    288.621  584.475    287.100  24.067  8.6680  30.763  8.3864  -6.696150      12.06091  
1 1 1 -11 87  14 o 30.198  7.1116  551.146    228.759  751.231    361.132  417.055    295.637  34.337  9.4244  26.405  8.8122  7.931767       12.90252  
1 1 1 -11 87  15 o 40.242  5.3296  931.768    226.584  724.082    327.749  1121.90    313.594  33.809  8.8477  43.423  6.8984  -9.614159      11.21918  
1 1 1 -11 87  16 o 43.609  5.8364  1107.56    268.758  733.540    374.295  1505.64    386.143  33.489  9.7365  50.007  7.3485  -16.51826      12.19830  
1 1 1 -11 87  17 o 34.338  7.7402  733.128    280.989  903.275    475.769  641.990    348.205  36.124  11.093  31.367  9.4612  4.757303       14.57983  
1 1 1 -11 87  18 o 29.403  9.9227  559.795    374.883  870.855    536.407  262.804    524.135  35.038  11.869  25.793  10.903  9.244995       16.11654  
1 1 1 -11 88  1  f 46.800  3.9294  1210.93    197.336  1137.24    283.051  1280.62    275.263  44.741  5.9915  47.710  5.4232  -2.968788      8.081395  
1 1 1 -11 88  2  o 96.850  2.8993  5118.91    304.129  5003.08    407.455  5264.62    457.006  95.439  3.9417  97.765  4.3159  -2.326180      5.844981  
1 1 1 -11 88  3  o 61.197  3.4216  2056.50    225.886  2142.74    317.027  1967.57    321.932  62.081  4.7509  59.372  5.0543  2.708477       6.936662  
1 1 1 -11 88  4  o 56.843  3.5588  1777.82    218.001  1576.56    321.077  1949.95    296.935  52.859  5.6982  59.216  4.6675  -6.356682      7.365831  
1 1 1 -11 88  5  o 70.914  3.4434  2755.70    264.478  2811.17    373.673  2700.02    374.385  71.048  4.8856  69.577  5.0014  1.470840       6.991639  
1 1 1 -11 88  6  o 43.038  4.5727  1036.03    209.890  1224.98    310.253  876.576    285.010  46.201  6.3694  38.705  7.0587  7.495754       9.507633  
1 1 1 -11 88  7  o 45.405  4.1685  1147.30    202.709  1143.44    259.145  1153.38    325.375  44.913  5.4380  44.496  6.9811  0.4169998      8.849174  
1 1 1 -11 88  8  o 35.291  5.4657  713.013    202.163  587.856    271.907  867.719    302.305  31.193  8.0074  38.175  7.5787  -6.982401      11.02522  
1 1 1 -11 88  9  o 32.643  6.0111  619.648    204.697  911.717    302.085  371.685    278.342  39.185  7.3887  25.447  8.5503  13.73738       11.30046  
1 1 1 -11 88  10 o 61.345  3.8178  2083.74    252.411  1988.86    371.311  2165.24    344.160  59.048  5.8842  61.980  5.1740  -2.932133      7.835478  
1 1 1 -11 88  11 o 20.808  7.3145  230.755    204.351  249.596    308.565  216.036    272.733  23.038  8.8305  21.691  8.3048  1.346920       12.12217  
1 1 1 -11 88  12 o 23.222  7.3634  314.813    207.861  388.444    314.634  257.788    276.891  25.994  9.0795  22.608  8.4311  3.386145       12.39038  
1 1 1 -11 88  13 o 34.856  6.0901  711.270    221.547  705.867    332.422  715.587    297.164  33.517  8.9771  34.079  8.1591  -0.5620041     12.13088  
1 1 1 -11 88  14 o 27.961  1.9444  427.979    58.520   272.126    320.615  433.350    59.519   23.437  8.9970  28.133  1.9657  -4.696234      9.209226  
1 1 1 -11 88  15 o 22.539  7.8535  287.868    235.332  417.577    344.708  174.642    322.063  26.558  9.4826  21.566  8.7773  4.991087       12.92130  
1 1 1 -11 88  16 o 15.625  7.0132  -69.2325   246.644  207.889    384.314  -263.3090  321.616  23.133  9.5210  15.713  7.3872  7.419901       12.05071  
1 1 1 -11 88  17 o 26.722  9.9058  421.548    381.093  837.304    563.489  71.084     517.355  34.510  12.145  23.579  10.394  10.93189       15.98536  
1 1 1 -11 89  1  o 48.146  3.7084  1280.27    191.894  1260.81    284.943  1296.41    259.584  47.167  5.6928  48.055  5.0636  -0.8879509     7.618929  
1 1 1 -11 89  2  o 30.498  5.7034  535.845    181.471  354.446    265.376  695.176    248.710  25.080  8.3480  34.447  6.9065  -9.367260      10.83462  
1 1 1 -11 89  3  o 46.948  3.8458  1219.89    193.844  1263.13    283.051  1181.69    266.016  47.210  5.6477  45.701  5.4836  1.508495       7.871880  
1 1 1 -11 89  4  o 30.147  5.9960  527.421    188.889  714.789    271.842  352.507    262.653  34.719  7.4520  24.965  8.3049  9.753107       11.15809  
1 1 1 -11 89  5  o 65.320  3.5980  2350.99    253.569  2280.36    357.305  2422.65    359.910  63.729  5.2223  65.754  5.0933  -2.025105      7.294818  
1 1 1 -11 89  6  o 18.221  6.8739  147.238    185.116  -91.9263   278.532  336.459    247.749  16.638  7.4613  24.332  8.0644  -7.694822      10.98667  
1 1 1 -11 89  7  o 69.484  3.4701  2652.73    261.154  2456.54    374.773  2837.91    364.112  66.056  5.2825  71.282  4.7432  -5.226448      7.099466  
1 1 1 -11 89  8  o 74.350  3.4835  3038.52    280.523  2714.71    392.980  3374.96    400.566  69.444  5.2639  77.718  4.7818  -8.274521      7.111574  
1 1 1 -11 89  9  o 99.411  3.2174  5422.61    346.425  5464.77    481.780  5377.47    498.483  99.189  4.4845  98.282  4.6828  0.9065247      6.483779  
1 1 1 -11 89  10 o 48.410  4.3031  1309.79    223.275  1230.44    316.728  1388.18    314.798  45.998  6.5417  49.138  6.0422  -3.140018      8.905142  
1 1 1 -11 89  11 o 51.724  4.1770  1493.27    232.010  1560.90    329.633  1426.88    326.610  52.121  5.9455  49.683  6.2048  2.438503       8.593461  
1 1 1 -11 89  12 o 54.716  4.0228  1668.10    236.729  1958.79    339.541  1393.15    330.224  58.680  5.4031  48.941  6.3815  9.738628       8.361662  
1 1 1 -11 89  13 o 45.041  4.8866  1151.49    234.562  1264.85    322.445  1024.07    341.846  46.400  6.6022  40.942  7.9957  5.458233       10.36923  
1 1 1 -11 89  14 o 30.536  1.7008  508.960    56.027   635.858    364.404  505.887    56.702   31.470  9.7158  30.440  1.7269  1.029812       9.868105  
1 1 1 -11 89  15 o 53.023  4.3462  1582.64    247.407  1405.60    357.675  1745.06    342.585  48.520  7.0093  54.877  5.8541  -6.357010      9.132425  
1 1 1 -11 89  16 o 20.958  8.1891  200.846    269.193  107.206    460.754  249.374    331.690  23.087  9.9984  22.977  9.0561  0.1100349      13.48997  
1 1 1 -11 89  17 o 24.431  9.3524  319.111    345.843  460.622    469.011  150.465    512.005  28.094  10.856  24.380  10.549  3.714211       15.13712  
1 1 1 -11 90  1  o 21.645  6.2215  271.651    153.612  395.885    226.282  165.464    209.201  25.888  7.5830  19.293  7.3004  6.594658       10.52606  
1 1 1 -11 90  2  o 40.616  4.2768  921.472    185.318  1143.74    282.738  754.069    245.375  44.700  5.9906  35.961  6.5409  8.739792       8.869613  
1 1 1 -11 90  3  o 68.124  3.2111  2543.22    236.933  2700.49    341.043  2396.50    329.408  69.652  4.5456  65.549  4.6704  4.103088       6.517286  
1 1 1 -11 90  4  o 83.127  3.1779  3786.43    286.124  3805.44    401.194  3766.75    408.176  82.741  4.4936  82.268  4.5993  0.4728394      6.430103  
1 1 1 -11 90  5  o 58.613  3.6682  1897.43    231.702  2123.48    336.604  1693.87    319.424  61.478  5.1012  54.717  5.4629  6.761127       7.474293  
1 1 1 -11 90  6  o 45.593  4.4493  1162.80    216.915  1195.44    294.233  1123.94    321.047  45.616  6.1088  43.827  6.9987  1.788158       9.289699  
1 1 1 -11 90  7  o 44.593  4.5630  1115.15    217.284  1207.45    317.425  1033.77    298.060  45.604  6.6198  42.075  6.7702  3.529163       9.468755  
1 1 1 -11 90  8  o 85.348  3.2988  3999.32    304.945  4053.68    435.838  3947.19    426.817  85.189  4.7424  84.079  4.7058  1.109627       6.680895  
1 1 1 -11 90  9  o 61.699  4.7672  2134.83    316.107  2529.01    393.750  1420.18    530.174  66.823  5.4888  47.088  10.645  19.73484       11.97708  
1 1 1 -11 90  10 o 99.521  3.3211  5445.69    357.980  5339.40    507.876  5550.65    504.660  97.748  4.7971  99.743  4.6714  -1.994637      6.695816  
1 1 1 -11 90  11 o 50.575  4.6312  1438.86    250.868  1251.78    358.275  1618.82    351.388  45.808  7.4793  52.894  6.2547  -7.085457      9.749870  
1 1 1 -11 90  12 o 25.497  7.5790  391.983    224.652  563.683    324.049  233.099    311.720  30.021  9.1432  22.597  8.8170  7.424484       12.70187  
1 1 1 -11 90  13 o 16.286  6.9811  20.265     220.207  -188.5005  318.911  210.506    304.434  16.499  7.6205  21.963  8.6698  -5.464039      11.54283  
1 1 1 -11 90  14 o 39.113  5.9036  893.559    242.313  573.632    383.966  1105.30    312.372  30.016  10.043  43.028  6.9387  -13.01246      12.20653  
1 1 1 -11 90  15 o 41.432  7.0530  1032.73    305.163  959.603    596.602  1058.64    355.137  36.658  12.517  41.248  8.2376  -4.590260      14.98439  
1 1 1 -11 90  16 f 22.840  9.3884  201.078    373.087  -138.3961  563.297  466.379    497.971  22.439  10.277  28.485  11.136  -6.046175      15.15348  
1 1 1 -11 91  1  o 79.364  3.1058  3450.32    266.975  3203.27    372.848  3710.26    382.455  75.847  4.5598  81.753  4.3347  -5.906105      6.291372  
1 1 1 -11 91  2  o 39.600  2.2052  856.749    94.206   837.536    100.918  986.945    262.705  39.121  2.3932  41.426  6.0320  -2.305378      6.489422  
1 1 1 -11 91  3  o 23.368  6.6262  320.012    175.422  240.815    246.651  401.076    249.542  21.877  7.9927  26.074  8.0384  -4.197298      11.33577  
1 1 1 -11 91  4  o 52.662  3.9352  1537.82    222.836  1626.17    319.837  1454.48    310.639  53.541  5.5982  50.531  5.7797  3.009121       8.046412  
1 1 1 -11 91  5  o 70.798  3.3286  2751.27    255.245  2728.85    359.851  2773.99    362.100  69.863  4.7844  70.446  4.7739  -0.5825500     6.758749  
1 1 1 -11 91  6  f 86.836  3.2536  4137.26    306.010  3998.63    424.186  4287.69    441.884  84.685  4.6424  87.686  4.6696  -3.000793      6.584570  
1 1 1 -11 91  7  o 71.501  2.6454  2793.40    204.869  2918.21    363.396  2735.24    248.045  72.268  4.6676  70.595  3.2441  1.673553       5.684185  
1 1 1 -11 91  8  o 95.345  3.1926  4989.65    329.695  4799.39    461.687  5187.64    470.970  92.851  4.5908  96.584  4.5021  -3.732903      6.429996  
1 1 1 -11 91  9  o 23.943  7.2893  337.963    205.987  324.871    314.235  347.828    272.766  24.656  9.0195  24.703  8.4634  -0.4671097E-01 12.36851  
1 1 1 -11 91  10 o 19.583  7.5506  167.176    226.511  -130.9688  341.115  402.325    302.941  17.888  8.1177  26.212  8.9196  -8.323734      12.06047  
1 1 1 -11 91  11 o 42.456  5.1577  1028.31    232.304  934.952    318.906  1133.85    339.077  39.252  7.7762  43.492  7.4671  -4.240234      10.78087  
1 1 1 -11 91  12 o 34.871  6.1624  715.085    224.237  896.271    338.375  573.211    299.424  37.983  8.4438  30.275  8.6814  7.707415       12.11054  
1 1 1 -11 91  13 o 17.320  7.0831  88.361     211.013  70.842     324.740  101.164    277.608  19.977  8.5181  19.335  8.0369  0.6415482      11.71111  
1 1 1 -11 91  14 o 34.415  6.8309  712.982    245.640  599.425    411.053  776.061    306.359  30.517  10.390  35.250  8.1818  -4.733688      13.22465  
1 1 1 -11 91  15 o 18.072  8.2733  -151.1790  364.391  -395.1240  561.417  26.396     478.995  20.460  9.6621  22.541  9.9653  -2.080975      13.88031  
1 1 1 -11 92  1  o 20.444  6.6218  234.375    167.421  483.387    230.312  -44.6610   243.802  28.418  7.4072  16.149  7.1260  12.26877       10.27846  
1 1 1 -11 92  2  o 33.670  5.1889  647.236    183.147  697.810    293.045  614.820    234.611  33.949  8.0853  32.215  6.9295  1.733788       10.64847  
1 1 1 -11 92  3  o 41.990  2.3051  963.893    104.431  955.901    112.084  1016.50    287.548  41.782  2.4880  41.810  6.5662  -0.2740860E-01 7.021773  
1 1 1 -11 92  4  o 60.166  3.6603  2000.01    237.396  2024.03    339.106  1976.91    332.451  59.897  5.2811  59.210  5.2380  0.6871033      7.438219  
1 1 1 -11 92  5  o 96.696  3.1561  5127.34    330.546  4993.25    458.299  5272.71    477.200  94.836  4.4618  97.421  4.5225  -2.585014      6.352986  
1 1 1 -11 92  6  o 54.180  4.1130  1633.21    239.560  1546.41    335.677  1723.30    341.990  51.903  6.0867  54.944  5.8362  -3.040134      8.432581  
1 1 1 -11 92  7  o 20.705  7.2733  228.248    202.039  197.368    275.132  264.389    297.646  21.352  8.2967  23.163  8.7211  -1.811016      12.03710  
1 1 1 -11 92  8  o 23.316  7.2094  318.307    200.553  499.516    294.574  161.742    273.812  28.624  8.7175  20.576  8.1904  8.048016       11.96151  
1 1 1 -11 92  9  o 33.853  5.8638  666.961    207.216  701.607    301.685  636.017    285.112  33.748  8.3089  32.173  8.1675  1.575249       11.65104  
1 1 1 -11 92  10 o 42.666  4.8305  1031.69    219.293  999.670    314.225  1062.09    306.186  40.848  7.3737  42.368  6.9107  -1.519997      10.10588  
1 1 1 -11 92  11 o 25.241  7.3791  384.069    214.464  420.830    323.642  355.289    286.362  26.649  9.2142  24.845  8.6629  1.803415       12.64705  
1 1 1 -11 92  12 o 25.916  7.2175  407.402    210.087  650.768    302.017  179.238    292.432  32.211  8.5241  21.122  8.4459  11.08888       11.99971  
1 1 1 -11 92  13 o 31.657  7.2292  611.097    242.429  70.447     412.806  895.724    299.520  21.850  9.4634  38.364  7.4771  -16.51344      12.06075  
1 1 1 -11 92  14 o 55.515  6.0402  1791.21    357.326  1560.21    548.186  1961.87    471.181  48.407  10.737  56.854  7.8621  -8.446903      13.30760  
1 1 1 -11 93  1  f 64.629  3.3442  2299.95    233.294  2411.59    326.006  2182.78    333.993  65.704  4.6102  62.330  4.9891  3.373383       6.793058  
1 1 1 -11 93  2  o 53.761  3.6322  1598.32    210.257  1816.31    314.474  1422.09    282.747  56.745  5.1735  50.113  5.2892  6.631809       7.398717  
1 1 1 -11 93  3  o 28.487  5.9750  474.958    178.467  465.067    244.510  486.237    261.084  27.795  7.8025  28.364  8.0979  -0.5695095     11.24522  
1 1 1 -11 93  4  o 64.643  3.5454  2306.65    247.284  2332.21    354.045  2282.31    345.535  64.349  5.1222  63.687  5.0506  0.6619453      7.193451  
1 1 1 -11 93  5  o 17.338  6.7686  116.746    183.777  125.679    274.048  109.446    247.740  19.920  8.1008  18.936  7.7015  0.9843330      11.17747  
1 1 1 -11 93  6  o 49.607  4.3996  1377.09    233.932  1229.84    326.944  1531.56    334.856  45.857  6.7877  51.598  6.1105  -5.741081      9.132945  
1 1 1 -11 93  7  o 95.283  3.3283  4992.04    343.484  4927.88    486.722  5055.69    484.804  93.793  4.8073  95.176  4.7029  -1.382896      6.725151  
1 1 1 -11 93  8  o 96.970  3.2554  5170.22    341.906  4926.70    486.919  5407.07    480.208  93.714  4.8134  98.492  4.5015  -4.777206      6.590306  
1 1 1 -11 93  9  o 54.955  4.1896  1687.21    247.493  1942.91    371.459  1483.08    331.891  58.107  5.9879  50.600  6.1846  7.507492       8.608415  
1 1 1 -11 93  10 o 14.768  6.5057  -32.2945   202.370  -82.1168   309.446  4.9369     267.502  17.511  7.8580  17.519  7.6027  -0.7448196E-02 10.93384  
1 1 1 -11 93  11 o 24.421  7.3892  357.968    212.150  370.109    315.323  347.928    286.758  25.408  9.0697  24.632  8.6644  0.7762108      12.54314  
1 1 1 -11 93  12 o 41.878  2.3509  961.501    106.202  1211.39    523.281  950.766    108.460  42.214  11.244  41.628  2.4159  0.5857849      11.50018  
1 1 1 -11 93  13 o 60.342  4.6417  2054.67    301.041  2240.10    570.139  1982.98    354.484  59.867  9.0774  58.718  5.6434  1.149300       10.68869  
1 1 1 -11 94  1  o 44.637  3.9586  1109.35    189.400  1080.11    273.967  1136.11    262.130  43.293  6.0043  44.609  5.5449  -1.316402      8.173003  
1 1 1 -11 94  2  o 61.262  3.4166  2069.85    225.802  2329.70    334.707  1852.81    305.899  64.440  4.8307  57.370  4.9721  7.070431       6.932321  
1 1 1 -11 94  3  o 54.992  3.7288  1675.15    220.781  2049.91    310.112  1289.96    314.396  60.445  4.7758  47.227  6.3036  13.21728       7.908452  
1 1 1 -11 94  4  o 29.768  6.2830  522.074    196.215  341.454    283.262  688.688    272.058  24.681  8.6153  33.781  7.6173  -9.100674      11.49990  
1 1 1 -11 94  5  o 70.132  3.4366  2706.73    261.042  2659.88    378.045  2749.42    360.891  68.690  5.1181  70.012  4.7879  -1.322357      7.008477  
1 1 1 -11 94  6  o 98.726  3.1745  5353.69    339.453  5416.02    477.363  5289.93    482.801  98.621  4.4690  97.401  4.5765  1.219933       6.396607  
1 1 1 -11 94  7  o 44.509  4.6016  1116.17    218.631  1082.21    289.880  1160.98    332.958  43.060  6.4110  44.235  7.1970  -1.174545      9.638285  
1 1 1 -11 94  8  o 46.487  4.4215  1214.18    219.943  1173.64    307.427  1256.68    314.796  44.775  6.5315  46.404  6.4366  -1.629227      9.170038  
1 1 1 -11 94  9  o 19.729  7.3689  188.799    211.677  455.208    323.481  -10.7068   279.932  27.451  9.2176  17.647  7.7158  9.804016       12.02069  
1 1 1 -11 94  10 o 43.977  4.7655  1096.43    223.361  765.056    319.070  1414.88    312.784  35.000  8.5013  49.438  5.9617  -14.43782      10.38330  
1 1 1 -11 94  11 o 57.215  4.5513  1843.65    279.708  1965.15    477.211  1780.06    345.226  56.967  7.9510  55.545  5.8250  1.421124       9.856447  
1 1 1 -11 94  12 o 66.147  5.1258  2485.85    364.364  2618.15    528.984  2366.42    502.605  66.186  7.5122  62.883  7.5292  3.303413       10.63583  
1 1 1 -11 94  13 f 41.270  7.1345  1022.58    307.372  670.738    446.576  1339.31    423.704  32.052  10.830  46.296  8.7710  -14.24350      13.93622  
1 1 1 -11 95  1  o 64.969  2.4123  2304.32    169.747  2324.44    201.147  2254.54    316.394  65.148  2.8506  63.428  4.6376  1.720295       5.443690  
1 1 1 -11 95  2  o 31.925  5.3681  587.678    179.029  695.084    273.205  506.848    237.008  33.898  7.6258  28.947  7.4990  4.951082       10.69521  
1 1 1 -11 95  3  o 53.932  3.9267  1616.99    227.797  1678.27    331.078  1561.91    313.914  54.181  5.7286  52.298  5.6307  1.883564       8.032501  
1 1 1 -11 95  4  o 59.918  3.7314  1989.56    240.956  2043.60    346.658  1939.05    335.160  60.002  5.3917  58.455  5.3532  1.546745       7.597815  
1 1 1 -11 95  5  o 78.624  3.3919  3402.86    288.850  3391.28    409.729  3414.31    407.274  77.675  4.8952  77.967  4.8469  -0.2918320     6.888753  
1 1 1 -11 95  6  o 46.662  4.3949  1222.07    219.499  993.582    316.996  1432.53    304.233  40.708  7.4647  49.973  5.7241  -9.264950      9.406744  
1 1 1 -11 95  7  o 35.418  5.6515  726.651    209.511  596.783    276.398  902.044    321.212  31.124  8.1154  38.455  7.9737  -7.330616      11.37718  
1 1 1 -11 95  8  f 36.239  5.9528  765.961    225.532  942.579    312.148  573.063    326.218  39.501  7.5715  30.252  9.1649  9.249083       11.88794  
1 1 1 -11 95  9  o 45.270  4.7441  1160.54    229.154  1361.29    329.762  973.071    318.670  48.212  6.4790  40.068  7.6214  8.143982       10.00314  
1 1 1 -11 95  10 f 25.538  7.7349  395.109    232.379  367.623    396.660  409.473    286.736  26.208  10.020  26.101  8.6770  0.1077709      13.25483  
1 1 1 -11 95  11 o 37.308  8.0287  857.833    314.809  1119.58    508.322  694.977    400.956  40.694  11.186  32.709  10.207  7.985031       15.14306  
1 1 1 -11 95  12 o 23.513  8.5217  304.435    279.566  272.482    409.232  332.398    382.821  24.737  9.9558  25.377  9.8072  -0.6396751     13.97494  
1 1 1 -11 96  1  o 21.221  7.9790  218.038    248.989  0.0000     0.0000   218.038    248.989  ?       ?       21.221  7.9790  0.000000       7.979015  
1 1 1 -11 96  2  o 31.673  5.3934  579.595    178.389  705.662    268.652  480.174    238.576  34.189  7.4642  28.129  7.6352  6.060089       10.67757  
1 1 1 -11 96  3  o 73.105  3.4682  2944.45    274.610  3374.45    390.257  2522.72    386.486  77.601  4.6648  66.673  5.3983  10.92770       7.134542  
1 1 1 -11 96  4  o 85.142  3.2587  3986.64    300.510  4077.57    430.151  3899.95    420.000  85.309  4.6732  83.429  4.6667  1.879906       6.604297  
1 1 1 -11 96  5  o 61.155  3.7069  2073.68    244.375  2195.45    337.105  1938.81    354.769  62.330  5.0364  58.212  5.7000  4.118679       7.606284  
1 1 1 -11 96  6  o 58.797  3.7628  1919.29    238.370  1687.99    338.935  2145.66    335.305  54.177  5.8700  61.580  5.0724  -7.403526      7.757943  
1 1 1 -11 96  7  o 61.771  4.5591  2142.96    302.869  2287.72    518.116  2067.82    373.290  61.713  7.9352  60.011  5.8161  1.702652       9.838412  
1 1 1 -11 96  8  o 40.807  6.4557  979.567    275.833  1095.69    481.254  922.757    336.609  40.646  10.762  38.645  8.2904  2.001476       13.58497  
1 1 1 -11 96  9  o 19.197  7.4263  160.739    219.681  389.468    492.223  103.848    245.486  27.685  10.994  18.618  7.6299  9.066339       13.38200  
1 1 1 -11 96  10 o 29.643  8.8234  550.050    304.326  699.486    509.437  467.132    379.477  32.777  11.546  27.944  9.9523  4.832790       15.24366  
1 1 1 -11 97  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 97  2  o 29.932  10.750  539.970    443.612  0.0000     0.0000   539.970    443.612  ?       ?       29.932  10.750  0.000000       10.74984  
1 1 1 -11 97  3  o 18.591  7.7048  87.665     254.059  0.0000     0.0000   87.665     254.059  ?       ?       18.591  7.7048  0.000000       7.704788  
1 1 1 -11 97  4  o 15.922  6.7941  21.949     206.853  -37.3364   341.282  56.375     260.066  18.993  8.4036  18.183  7.6825  0.8102112      11.38597  
1 1 1 -11 97  5  o 33.561  6.3779  665.586    223.365  638.969    332.190  687.551    301.768  31.844  9.1479  33.280  8.3776  -1.436882      12.40433  
1 1 1 -11 97  6  o 21.040  7.5341  235.669    217.753  130.626    383.633  285.596    264.488  22.247  9.3614  22.962  8.2937  -0.7146626     12.50687  
1 1 1 -11 97  7  o 39.518  7.7214  948.111    318.641  1205.08    461.922  714.829    440.119  43.204  10.059  33.167  10.736  10.03689       14.71201  
1 1 1 -11 97  8  o 28.015  8.4837  483.423    279.566  439.363    372.871  539.991    422.493  27.399  9.8539  29.678  10.509  -2.278746      14.40589  
1 1 1 -11 97  9  o 31.220  9.2653  616.995    335.945  556.159    515.277  661.972    443.057  30.450  11.473  32.060  10.787  -1.609922      15.74770  
1 1 1 -11 98  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 98  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 98  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 98  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 98  5  o 34.156  10.127  753.203    401.472  0.0000     0.0000   753.203    401.472  ?       ?       34.156  10.127  0.000000       10.12692  
1 1 1 -11 98  6  o 19.487  7.5311  166.206    225.746  61.164     315.223  276.798    323.444  19.694  8.3948  23.643  9.0459  -3.949097      12.34103  
1 1 1 -11 98  7  o 21.290  8.1931  210.181    266.298  259.096    354.037  146.448    404.118  23.775  9.3607  22.873  9.6155  0.9019604      13.41943  
1 1 1 -11 98  8  o 18.513  8.0044  20.349     294.312  99.575     429.187  -49.9761   404.361  22.718  9.7425  20.353  9.0684  2.365501       13.30983  
1 1 1 -11 99  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 99  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 99  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 99  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 99  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -11 100 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 0   1  o 437.917 10.446  104118.50  4948.11  104118.50  4948.11  104118.50  4948.11  437.917 10.446  437.917 10.446  0.000000       0.000000  
1 1 1 -10 0   2  o 180.782 5.0520  17744.06   987.472  17744.06   987.472  17744.06   987.472  180.782 5.0520  180.782 5.0520  0.000000       0.000000  
1 1 1 -10 0   3  o 662.976 15.493  238864.30  11111.16 238864.30  11111.16 238864.30  11111.16 662.976 15.493  662.976 15.493  0.000000       0.000000  
1 1 1 -10 0   4  f 438.954 10.465  104613.90  4969.00  104613.90  4969.00  104613.90  4969.00  438.954 10.465  438.954 10.465  0.000000       0.000000  
1 1 1 -10 0   5  o 531.742 12.560  153574.20  7224.73  153574.20  7224.73  153574.20  7224.73  531.742 12.560  531.742 12.560  0.000000       0.000000  
1 1 1 -10 0   6  o 87.068  3.5301  4126.05    331.655  4126.05    331.655  4126.05    331.655  87.068  3.5301  87.068  3.5301  0.000000       0.000000  
1 1 1 -10 0   7  o 41.878  4.1441  977.495    183.744  977.495    183.744  977.495    183.744  41.878  4.1441  41.878  4.1441  0.000000       0.000000  
1 1 1 -10 0   8  o 437.541 10.479  103959.80  4959.60  103959.80  4959.60  103959.80  4959.60  437.541 10.479  437.541 10.479  0.000000       0.000000  
1 1 1 -10 0   9  o 513.330 11.863  143134.80  6587.77  143134.80  6587.77  143134.80  6587.77  513.330 11.863  513.330 11.863  0.000000       0.000000  
1 1 1 -10 0   10 o 419.099 14.301  95676.17   6474.50  95676.17   6474.50  95676.17   6474.50  419.099 14.301  419.099 14.301  0.000000       0.000000  
1 1 1 -10 0   11 o 645.716 21.559  228001.70  15040.04 228001.70  15040.04 228001.70  15040.04 645.716 21.559  645.716 21.559  0.000000       0.000000  
1 1 1 -10 0   12 o 92.543  4.3138  4669.55    430.245  4669.55    430.245  4669.55    430.245  92.543  4.3138  92.543  4.3138  0.000000       0.000000  
1 1 1 -10 0   13 o 101.434 6.4963  5644.77    706.985  5644.77    706.985  5644.77    706.985  101.434 6.4963  101.434 6.4963  0.000000       0.000000  
1 1 1 -10 0   14 o 39.854  6.0528  918.298    243.412  918.298    243.412  918.298    243.412  39.854  6.0528  39.854  6.0528  0.000000       0.000000  
1 1 1 -10 0   15 o 82.753  4.2122  3739.13    375.307  3739.13    375.307  3739.13    375.307  82.753  4.2122  82.753  4.2122  0.000000       0.000000  
1 1 1 -10 0   16 o 441.536 12.339  106342.80  5890.28  106342.80  5890.28  106342.80  5890.28  441.536 12.339  441.536 12.339  0.000000       0.000000  
1 1 1 -10 0   17 o 66.672  4.6096  2443.47    329.220  2443.47    329.220  2443.47    329.220  66.672  4.6096  66.672  4.6096  0.000000       0.000000  
1 1 1 -10 0   18 o 33.088  8.4372  698.153    261.409  698.153    261.409  698.153    261.409  33.088  8.4372  33.088  8.4372  0.000000       0.000000  
1 1 1 -10 0   19 o 46.206  6.0817  1216.67    289.718  1216.67    289.718  1216.67    289.718  46.206  6.0817  46.206  6.0817  0.000000       0.000000  
1 1 1 -10 0   20 o 206.434 6.3681  23192.61   1420.77  23192.61   1420.77  23192.61   1420.77  206.434 6.3681  206.434 6.3681  0.000000       0.000000  
1 1 1 -10 0   21 o 222.189 6.0742  26854.91   1459.30  26854.91   1459.30  26854.91   1459.30  222.189 6.0742  222.189 6.0742  0.000000       0.000000  
1 1 1 -10 0   22 o 182.939 5.3332  18208.76   1054.70  18208.76   1054.70  18208.76   1054.70  182.939 5.3332  182.939 5.3332  0.000000       0.000000  
1 1 1 -10 0   23 o 60.778  5.3694  2052.48    347.114  2052.48    347.114  2052.48    347.114  60.778  5.3694  60.778  5.3694  0.000000       0.000000  
1 1 1 -10 0   24 o 13.702  8.7077  32.917     282.163  32.917     282.163  32.917     282.163  13.702  8.7077  13.702  8.7077  0.000000       0.000000  
1 1 1 -10 0   25 o 15.820  9.5956  131.629    304.947  131.629    304.947  131.629    304.947  15.820  9.5956  15.820  9.5956  0.000000       0.000000  
1 1 1 -10 0   26 o 149.963 5.1174  12301.21   828.998  12301.21   828.998  12301.21   828.998  149.963 5.1174  149.963 5.1174  0.000000       0.000000  
1 1 1 -10 0   27 o 45.728  8.4367  1261.68    375.970  1261.68    375.970  1261.68    375.970  45.728  8.4367  45.728  8.4367  0.000000       0.000000  
1 1 1 -10 0   28 o 20.118  11.032  325.241    345.246  325.241    345.246  325.241    345.246  20.118  11.032  20.118  11.032  0.000000       0.000000  
1 1 1 -10 0   29 o 67.579  5.9832  2571.23    430.043  2571.23    430.043  2571.23    430.043  67.579  5.9832  67.579  5.9832  0.000000       0.000000  
1 1 1 -10 0   30 o 68.428  5.9952  2644.93    436.483  2644.93    436.483  2644.93    436.483  68.428  5.9952  68.428  5.9952  0.000000       0.000000  
1 1 1 -10 0   31 o 18.132  10.870  226.883    382.213  226.883    382.213  226.883    382.213  18.132  10.870  18.132  10.870  0.000000       0.000000  
1 1 1 -10 0   32 o 18.448  10.837  266.471    366.013  266.471    366.013  266.471    366.013  18.448  10.837  18.448  10.837  0.000000       0.000000  
1 1 1 -10 0   33 o 36.627  11.430  1007.26    397.592  1007.26    397.592  1007.26    397.592  36.627  11.430  36.627  11.430  0.000000       0.000000  
1 1 1 -10 0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 1   2  o 259.702 4.6498  36537.11   1307.92  37351.94   1849.74  35722.41   1849.60  262.540 6.5050  256.745 6.6513  5.794495       9.303467  
1 1 1 -10 1   3  o 298.785 5.2374  48366.33   1694.91  48860.57   2397.00  47872.12   2396.93  300.245 7.3709  297.190 7.4465  3.055084       10.47761  
1 1 1 -10 1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 1   5  o 176.518 3.5090  16877.30   670.884  17463.15   949.878  16294.16   947.674  179.538 4.8847  173.423 5.0452  6.115509       7.022461  
1 1 1 -10 1   6  o 442.763 7.4706  106264.10  3582.59  105780.50  5066.24  106747.90  5066.85  441.546 10.594  443.564 10.547  -2.018188      14.94833  
1 1 1 -10 1   7  o 294.459 5.1537  46977.66   1643.66  46752.37   2324.45  47202.95   2324.53  293.684 7.3075  295.097 7.2728  -1.413116      10.30985  
1 1 1 -10 1   8  o 869.763 16.528  411762.00  15569.99 415788.69  19069.15 403708.50  26968.32 872.925 20.169  856.689 29.064  16.23553       35.37688  
1 1 1 -10 1   9  o 112.579 2.8654  6864.77    349.396  7129.80    405.895  6106.60    686.517  114.729 3.2664  105.980 6.0054  8.748138       6.836281  
1 1 1 -10 1   10 o 557.419 13.125  168940.00  7924.16  161461.00  11206.11 176420.00  11206.79 543.752 19.028  568.585 18.198  -24.83264      26.32878  
1 1 1 -10 1   11 o 259.752 6.6463  36583.80   1869.86  38289.77   2644.62  34878.46   2644.14  265.591 9.1935  253.455 9.6319  12.13588       13.31520  
1 1 1 -10 1   12 o 147.329 3.2855  11759.09   524.274  12121.94   737.655  11388.70   745.275  149.561 4.5537  144.962 4.7467  4.598251       6.577796  
1 1 1 -10 1   13 o 277.649 5.3655  41795.59   1613.51  41926.65   2474.38  41698.64   2128.24  277.869 8.2216  277.208 7.0883  0.6608276      10.85538  
1 1 1 -10 1   14 o 155.470 3.3712  13097.06   567.673  12570.14   802.674  13624.35   802.947  152.265 4.8671  158.529 4.6764  -6.263412      6.749584  
1 1 1 -10 1   15 o 97.447  2.9747  5145.11    313.967  4738.08    437.729  5576.40    450.582  93.487  4.3230  101.426 4.1016  -7.939056      5.959136  
1 1 1 -10 1   16 o 43.309  4.1630  1026.29    192.873  1046.54    265.611  1003.69    280.527  43.534  5.7756  42.543  6.2766  0.9914818      8.529552  
1 1 1 -10 1   17 o 293.734 5.1457  46815.93   1637.08  46216.87   2315.10  47415.06   2315.26  291.557 7.3312  295.327 7.2381  -3.769867      10.30231  
1 1 1 -10 1   18 o 304.444 5.3788  50313.86   1773.63  48551.50   2509.78  52072.05   2506.82  298.683 7.7581  309.376 7.4811  -10.69284      10.77753  
1 1 1 -10 1   19 o 191.615 3.7562  19909.41   779.558  19864.99   1102.42  19953.83   1102.50  191.278 5.3212  191.706 5.3097  -0.4283142     7.517235  
1 1 1 -10 1   20 o 348.591 6.0446  66057.28   2282.19  65248.75   3229.34  66863.97   3225.66  345.774 8.6229  350.064 8.5075  -4.289368      12.11327  
1 1 1 -10 1   21 o 258.144 5.1366  36203.66   1436.19  34390.58   2195.70  37559.39   1898.68  251.007 8.0764  262.644 6.6744  -11.63683      10.47739  
1 1 1 -10 1   22 o 54.339  4.1564  1612.54    242.768  1975.44    335.247  1212.41    352.018  60.051  5.2059  46.600  7.2070  13.45094       8.890563  
1 1 1 -10 1   23 o 102.788 3.1645  5733.14    352.302  5963.94    499.114  5503.97    497.351  104.739 4.3997  100.604 4.5643  4.134842       6.339579  
1 1 1 -10 1   24 o 208.531 4.0592  23657.54   916.803  24981.47   1290.52  22308.56   1302.67  213.855 5.5715  201.968 5.9550  11.88757       8.155026  
1 1 1 -10 1   25 o 83.662  2.9040  3802.81    263.145  3620.00    437.484  3906.44    329.394  81.221  4.9973  84.723  3.5896  -3.501488      6.152907  
1 1 1 -10 1   26 o 129.972 3.4525  9203.12    486.016  9236.82    688.388  9169.62    686.277  129.819 4.8958  129.345 4.8987  0.4740143      6.925779  
1 1 1 -10 1   27 o 162.369 3.6973  14398.17   650.219  14717.95   920.532  14079.75   918.568  163.493 5.1984  159.854 5.3054  3.638672       7.427692  
1 1 1 -10 1   28 o 40.460  6.0909  930.076    258.646  851.830    366.619  1007.61    364.947  37.783  9.0731  41.363  8.4321  -3.580318      12.38631  
1 1 1 -10 1   29 f 58.805  4.5704  1920.46    288.816  1669.63    408.969  2170.03    407.927  53.820  7.1960  61.926  6.1638  -8.106415      9.474925  
1 1 1 -10 1   30 o 32.090  7.6298  616.986    261.301  729.200    371.240  506.809    367.854  34.310  9.6081  29.294  9.8295  5.015867       13.74533  
1 1 1 -10 1   31 o 40.398  6.6048  957.434    279.008  645.879    407.684  1231.91    382.657  32.025  10.329  45.130  8.1274  -13.10452      13.14321  
1 1 1 -10 1   32 o 30.397  8.1136  579.276    272.118  773.142    375.145  364.004    395.313  34.359  9.6714  25.899  9.9780  8.460371       13.89590  
1 1 1 -10 1   33 o 36.027  7.3459  822.843    276.928  425.344    391.530  1220.77    391.740  25.867  9.9394  42.883  8.7309  -17.01645      13.22951  
1 1 1 -10 1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 2   1  o 185.197 3.6344  18577.82   729.005  19298.27   1031.15  17857.87   1030.79  188.736 5.0442  181.553 5.2420  7.182922       7.274820  
1 1 1 -10 2   2  o 684.628 22.708  255853.30  16838.56 255853.30  16838.56 0.0000     0.0000   684.628 22.708  ?       ?       0.000000       22.70805  
1 1 1 -10 2   3  o 118.687 2.8056  7629.54    360.664  7975.55    510.748  7285.40    509.367  121.341 3.8862  115.971 4.0552  5.370026       5.616684  
1 1 1 -10 2   4  o 521.862 8.6931  147661.91  4913.60  145276.41  6948.60  150047.80  6949.14  517.312 12.402  525.758 12.203  -8.446594      17.39876  
1 1 1 -10 2   5  o 461.097 7.7419  115250.90  3866.44  114381.60  5467.65  116120.30  5468.28  459.129 10.995  462.612 10.913  -3.483154      15.49177  
1 1 1 -10 2   6  o 366.035 6.2879  72605.84   2492.84  72434.45   3525.45  72777.22   3525.38  365.481 8.9059  366.346 8.8847  -0.8648376     12.57991  
1 1 1 -10 2   7  o 477.739 8.0199  123739.50  4149.84  125198.90  5868.93  122280.40  5868.60  480.284 11.282  474.641 11.416  5.643524       16.05000  
1 1 1 -10 2   8  o 398.699 6.7672  86159.33   2922.29  86122.07   4132.62  86196.59   4132.87  398.443 9.5761  398.615 9.5726  -0.1726074     13.54015  
1 1 1 -10 2   9  o 751.200 12.384  306550.19  10076.35 306041.41  11635.26 308076.50  20152.23 750.183 14.320  749.564 24.822  0.6198120      28.65678  
1 1 1 -10 2   10 o 293.310 10.403  46707.20   3304.92  46707.20   3304.92  0.0000     0.0000   293.310 10.403  ?       ?       0.000000       10.40314  
1 1 1 -10 2   11 o 593.419 11.363  191390.80  7303.22  200898.09  12649.06 186636.59  8944.76  605.945 19.273  585.434 14.107  20.51050       23.88414  
1 1 1 -10 2   12 o 244.210 4.4831  32318.88   1185.81  32311.60   1677.19  32326.16   1676.79  244.101 6.3437  244.156 6.3408  -0.5511475E-01 8.969250  
1 1 1 -10 2   13 o 374.347 6.8144  76031.97   2762.96  74445.11   4267.97  77176.79   3625.11  369.925 10.652  376.911 8.8800  -6.985840      13.86803  
1 1 1 -10 2   14 o 257.805 4.6646  36031.34   1302.50  35711.20   1842.12  36351.43   1841.92  256.519 6.6302  258.813 6.5708  -2.294128      9.334596  
1 1 1 -10 2   15 o 131.632 3.2415  9389.08    462.147  8184.56    658.484  10558.34   648.772  122.850 4.9488  139.557 4.2921  -16.70642      6.550774  
1 1 1 -10 2   16 o 446.858 7.5322  108536.10  3645.53  104578.60  5155.31  112494.30  5155.81  437.768 10.873  454.155 10.481  -16.38757      15.10228  
1 1 1 -10 2   17 o 236.024 4.7653  30218.76   1218.19  30666.99   1614.86  29626.86   1855.70  237.622 6.2745  233.434 7.3396  4.188660       9.656044  
1 1 1 -10 2   18 o 147.495 3.2948  11791.88   526.356  12597.13   745.027  10989.41   743.735  152.389 4.5139  142.315 4.8250  10.07317       6.607235  
1 1 1 -10 2   19 o 186.439 3.7602  18848.42   759.307  19629.36   1070.02  18056.28   1077.66  190.151 5.1954  182.350 5.4564  7.801407       7.534261  
1 1 1 -10 2   20 o 194.600 3.8689  20540.01   815.464  21772.74   1149.31  19290.24   1157.22  200.217 5.2998  188.418 5.6705  11.79939       7.761639  
1 1 1 -10 2   21 o 131.719 3.3632  9408.72    479.805  9326.50    679.391  9490.53    677.705  131.049 4.7865  132.201 4.7330  -1.151505      6.731378  
1 1 1 -10 2   22 o 198.451 3.9652  21378.46   852.286  21054.66   1205.68  21701.87   1204.95  196.701 5.6592  199.716 5.5704  -3.015366      7.940779  
1 1 1 -10 2   23 o 153.526 3.7112  12799.65   617.109  12634.84   847.589  12985.56   900.237  152.342 5.1368  154.402 5.3831  -2.060028      7.440754  
1 1 1 -10 2   24 o 45.131  4.4960  1120.05    216.846  903.261    307.686  1333.99    305.658  39.928  7.3869  49.057  5.8692  -9.128822      9.434670  
1 1 1 -10 2   25 o 23.652  7.7446  299.147    228.742  401.816    312.983  181.434    335.131  27.378  9.0637  23.155  9.1104  4.223318       12.85106  
1 1 1 -10 2   26 o 112.874 3.2643  6936.76    399.071  7299.50    587.541  6626.09    543.744  115.458 4.6983  110.038 4.5623  5.419998       6.548956  
1 1 1 -10 2   27 o 44.932  5.5501  1130.00    264.362  1007.46    375.372  1250.59    372.376  41.488  8.6344  46.680  7.6287  -5.192066      11.52172  
1 1 1 -10 2   28 o 44.212  5.6097  1100.01    262.587  1163.57    373.661  1038.00    369.090  44.679  8.0160  42.005  8.4060  2.673969       11.61538  
1 1 1 -10 2   29 o 97.669  3.5698  5228.34    377.640  5383.83    536.586  5075.74    531.577  98.406  5.0514  95.488  5.1590  2.917793       7.220245  
1 1 1 -10 2   30 o 79.078  3.8611  3445.46    330.707  3589.89    469.968  3303.80    465.446  79.870  5.4655  76.505  5.6572  3.365265       7.866138  
1 1 1 -10 2   31 o 24.293  8.3334  335.737    264.470  108.678    386.544  535.574    362.634  22.135  9.3599  29.577  9.7545  -7.441822      13.51877  
1 1 1 -10 2   32 o 37.432  7.1572  849.418    279.596  1234.05    385.580  422.909    406.029  44.563  8.2938  27.045  10.185  17.51807       13.13488  
1 1 1 -10 2   33 o 29.464  1.1920  471.928    38.040   475.970    38.238   85.873     373.710  29.590  1.1931  20.426  8.9234  9.163715       9.002855  
1 1 1 -10 2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 3   2  o 33.290  2.6522  604.035    94.837   596.514    131.766  612.118    136.603  32.972  3.7568  33.395  3.8470  -0.4236603     5.377057  
1 1 1 -10 3   3  o 605.754 14.185  199337.00  9306.70  202635.50  13162.18 196039.00  13161.14 609.821 19.928  599.751 20.261  10.06989       28.41833  
1 1 1 -10 3   4  o 317.068 5.5321  54469.63   1899.83  55529.33   2686.58  53409.64   2686.95  320.063 7.7499  313.889 7.9034  6.174164       11.06905  
1 1 1 -10 3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 3   6  o 464.745 7.8117  117088.40  3932.15  118284.10  5560.99  115892.70  5560.80  466.878 10.997  462.125 11.110  4.753296       15.63216  
1 1 1 -10 3   7  o 475.133 7.9694  122392.10  4101.18  121912.30  5799.97  122871.90  5799.92  473.935 11.299  475.801 11.255  -1.865753      15.94770  
1 1 1 -10 3   8  o 479.819 8.0361  124830.10  4176.29  123281.20  4822.25  129477.80  8353.16  476.732 9.3391  487.826 15.809  -11.09357      18.36183  
1 1 1 -10 3   9  o 124.951 3.3914  8457.15    458.970  7862.69    562.527  9640.96    793.816  120.471 4.3111  133.385 5.4947  -12.91364      6.984077  
1 1 1 -10 3   10 f 185.686 7.4324  18696.30   1494.79  18696.30   1494.79  0.0000     0.0000   185.686 7.4324  ?       ?       0.000000       7.432426  
1 1 1 -10 3   11 o 627.003 12.000  213760.50  8148.99  211353.00  14113.44 214964.50  9980.79  620.901 20.987  628.143 14.670  -7.242126      25.60565  
1 1 1 -10 3   12 o 546.647 9.1568  162280.30  5421.50  161528.91  7667.24  163031.80  7667.08  544.611 12.998  547.153 12.938  -2.541870      18.33937  
1 1 1 -10 3   13 o 335.054 6.1902  60888.86   2246.42  57673.41   3464.16  63222.27   2951.02  325.707 9.8197  341.239 7.9844  -15.53204      12.65615  
1 1 1 -10 3   14 o 193.802 3.8147  20354.62   800.737  19915.52   1132.69  20793.28   1132.13  191.629 5.4573  195.812 5.3381  -4.183563      7.634010  
1 1 1 -10 3   15 o 323.509 5.9435  56791.40   2082.55  57518.57   3205.01  56260.03   2739.76  325.136 9.1011  321.751 7.8618  3.385620       12.02656  
1 1 1 -10 3   16 o 57.060  3.3193  1770.45    204.253  1485.41    295.749  2030.38    282.427  52.055  5.3204  61.043  4.2991  -8.988571      6.840242  
1 1 1 -10 3   17 f 98.281  3.0364  5234.48    323.217  4808.47    457.551  5658.81    456.645  94.159  4.4865  102.157 4.1270  -7.998543      6.095997  
1 1 1 -10 3   18 o 301.728 5.6766  49433.63   1855.13  48292.36   2850.91  50271.76   2443.13  297.664 8.8427  303.991 7.4202  -6.326721      11.54356  
1 1 1 -10 3   19 o 209.759 4.0233  23862.79   914.063  23549.15   1292.79  24176.32   1292.57  208.217 5.7324  210.980 5.6564  -2.762756      8.053332  
1 1 1 -10 3   20 o 398.471 6.8279  86405.93   2946.82  88412.63   4167.94  84400.21   4166.91  402.134 9.5693  392.815 9.7939  9.319305       13.69280  
1 1 1 -10 3   21 o 39.262  5.1220  851.552    212.625  1173.09    303.158  540.246    298.295  46.018  6.2435  30.987  8.5897  15.03175       10.61903  
1 1 1 -10 3   22 o 153.974 3.4837  12862.71   580.974  13170.90   823.429  12557.22   819.825  155.670 4.8837  151.989 4.9801  3.680756       6.975122  
1 1 1 -10 3   23 o 51.771  4.2606  1466.53    236.784  1839.64    329.523  1068.21    340.471  57.880  5.3158  43.573  7.4839  14.30635       9.179662  
1 1 1 -10 3   24 o 64.647  3.5930  2278.43    250.591  2321.90    356.723  2236.08    352.102  65.046  5.1044  63.820  5.1373  1.225914       7.241972  
1 1 1 -10 3   25 o 90.560  3.4401  4461.58    337.423  4630.99    469.305  4280.29    485.481  91.959  4.7278  88.319  5.0968  3.640564       6.951956  
1 1 1 -10 3   26 o 153.161 3.6635  12790.01   607.735  12482.21   834.815  13137.06   886.442  150.827 5.1102  154.660 5.2918  -3.832993      7.356452  
1 1 1 -10 3   27 o 147.830 3.5717  11928.74   571.881  11718.82   810.670  12136.68   806.867  145.915 5.1295  148.547 5.0150  -2.631424      7.173672  
1 1 1 -10 3   28 o 77.969  3.7905  3328.52    320.100  3333.88    455.309  3323.28    450.117  77.399  5.4664  77.296  5.4106  0.1025925      7.691327  
1 1 1 -10 3   29 o 16.623  7.2386  -22.8932   244.138  -85.7708   349.184  37.238     341.471  18.979  8.4437  20.443  8.7262  -1.463781      12.14260  
1 1 1 -10 3   30 o 48.608  5.3779  1337.08    278.391  1127.36    396.525  1540.94    390.944  43.091  8.7936  51.392  7.2228  -8.300396      11.37970  
1 1 1 -10 3   31 o 63.287  4.4433  2239.17    302.642  2137.36    431.062  2338.14    425.003  60.658  6.6714  63.734  6.2367  -3.075523      9.132548  
1 1 1 -10 3   32 o 26.023  8.3982  415.766    269.483  378.879    372.814  456.128    389.979  25.925  9.7604  27.535  10.052  -1.610060      14.01077  
1 1 1 -10 3   33 f 61.493  2.8677  2092.84    191.002  2076.64    212.469  2161.12    436.054  61.003  3.2272  59.241  6.9266  1.761490       7.641518  
1 1 1 -10 3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 4   2  o 674.483 22.380  248274.41  16349.21 0.0000     0.0000   248274.41  16349.21 ?       ?       674.483 22.380  0.000000       22.37976  
1 1 1 -10 4   3  o 603.651 9.9436  197641.91  6501.31  213342.70  9194.53  181943.09  9193.97  626.758 13.544  578.658 14.669  48.09998       19.96597  
1 1 1 -10 4   4  o 453.808 7.6197  111630.40  3745.26  111175.80  5296.24  112085.00  5296.94  452.673 10.802  454.524 10.760  -1.850494      15.24658  
1 1 1 -10 4   5  o 97.969  2.6626  5198.35    282.526  5795.82    398.284  4593.21    400.830  103.441 3.5549  92.083  4.0189  11.35767       5.365557  
1 1 1 -10 4   6  o 292.705 5.1204  46418.57   1623.32  46081.64   2295.17  46755.82   2296.28  291.576 7.2676  293.703 7.2185  -2.126923      10.24331  
1 1 1 -10 4   7  o 88.409  2.6112  4233.36    250.042  4103.51    353.260  4363.73    353.966  87.037  3.7473  89.755  3.6411  -2.717842      5.224940  
1 1 1 -10 4   8  o 561.429 9.3291  170977.70  5672.89  167365.20  6550.35  181817.00  11346.44 555.302 10.891  577.643 18.136  -22.34131      21.15442  
1 1 1 -10 4   9  o 520.454 9.9495  146989.20  5608.61  139864.50  6868.37  161248.00  9716.52  507.387 12.498  544.153 16.486  -36.76529      20.68808  
1 1 1 -10 4   10 f 906.095 21.049  449250.81  20657.08 449250.81  20657.08 0.0000     0.0000   906.095 21.049  ?       ?       0.000000       21.04869  
1 1 1 -10 4   11 f 360.317 7.0837  70408.45   2764.50  65249.54   4784.26  72994.38   3387.22  346.317 12.755  366.758 8.5269  -20.44086      15.34248  
1 1 1 -10 4   12 o 268.195 4.8774  38984.09   1416.81  39134.65   2005.84  38834.18   2001.53  268.606 6.8946  267.572 6.9064  1.033875       9.758797  
1 1 1 -10 4   13 o 206.616 3.9900  23133.78   892.906  22389.54   1260.48  23883.42   1265.05  203.196 5.7273  209.873 5.5652  -6.677170      7.985852  
1 1 1 -10 4   14 o 448.155 7.6179  109076.20  3697.70  106034.90  5229.35  112117.50  5229.33  441.198 10.943  453.748 10.640  -12.55011      15.26347  
1 1 1 -10 4   15 o 123.803 3.1196  8305.07    418.315  8464.88    598.356  8152.29    585.041  124.954 4.4212  122.625 4.4049  2.328369       6.241014  
1 1 1 -10 4   16 o 179.229 3.7863  17412.49   735.013  17623.84   1100.45  17242.27   987.613  180.211 5.6379  178.282 5.1146  1.928879       7.612175  
1 1 1 -10 4   17 o 184.054 3.6978  18364.02   737.155  18840.45   1047.25  17896.14   1037.81  186.335 5.1890  181.599 5.2763  4.735794       7.400387  
1 1 1 -10 4   18 o 390.703 6.6947  82972.66   2833.00  83564.68   4005.62  82380.16   4007.31  391.380 9.4493  388.575 9.5216  2.805603       13.41454  
1 1 1 -10 4   19 o 277.495 4.9716  41795.57   1494.25  40701.11   2113.28  42889.84   2113.09  273.511 7.1336  280.803 6.9478  -7.291290      9.957947  
1 1 1 -10 4   20 o 366.941 6.2831  73219.34   2497.11  73315.98   3533.80  73122.95   3529.11  366.423 8.9041  365.941 8.9040  0.4827271      12.59219  
1 1 1 -10 4   21 o 100.290 3.1863  5453.71    346.109  5733.32    492.484  5180.84    486.514  102.770 4.4244  97.683  4.5984  5.086349       6.381265  
1 1 1 -10 4   22 o 220.949 4.4083  26515.87   1054.96  26815.80   1409.13  26133.36   1591.30  221.944 5.8619  218.924 6.7110  3.019211       8.910654  
1 1 1 -10 4   23 o 113.252 3.2559  6960.84    399.382  6927.86    558.763  6995.29    571.060  112.867 4.5708  113.406 4.6492  -0.5397186     6.519737  
1 1 1 -10 4   24 o 166.288 3.7693  15034.60   678.882  14080.04   919.292  16179.61   1006.84  160.614 5.2845  172.143 5.4001  -11.52946      7.555543  
1 1 1 -10 4   25 o 173.538 3.9393  16407.08   740.437  16108.83   1101.42  16653.01   1000.16  171.304 5.9363  174.414 5.2944  -3.109818      7.954274  
1 1 1 -10 4   26 o 28.519  2.1808  444.075    66.850   425.996    68.131   911.391    346.390  27.918  2.2728  39.642  8.3321  -11.72379      8.636508  
1 1 1 -10 4   27 o 44.383  2.0964  1069.72    100.777  1074.52    104.960  1013.04    360.552  44.478  2.1788  41.713  8.2726  2.765266       8.554737  
1 1 1 -10 4   28 o 21.309  7.8942  209.279    241.958  292.038    344.776  128.966    339.643  25.065  9.3961  21.990  8.9889  3.074896       13.00332  
1 1 1 -10 4   29 o 19.989  7.8425  150.186    247.693  37.842     354.467  257.388    346.258  20.785  8.8821  24.233  9.3377  -3.447432      12.88737  
1 1 1 -10 4   30 o 52.160  5.1988  1533.46    289.789  1596.99    426.028  1478.74    395.339  52.033  7.7998  50.186  7.5033  1.846268       10.82302  
1 1 1 -10 4   31 o 11.991  5.8394  -404.4915  243.801  -412.1192  349.600  -397.2699  340.166  15.428  7.3815  15.267  7.2979  0.1615152      10.38011  
1 1 1 -10 4   32 o 15.267  6.9482  -109.2551  252.245  -410.8299  359.635  182.762    353.890  15.542  7.4491  22.219  9.1397  -6.677720      11.79084  
1 1 1 -10 4   33 o 23.712  1.3900  307.117    35.543   308.229    35.690   172.264    393.092  23.755  1.3932  21.889  9.3535  1.866451       9.456728  
1 1 1 -10 4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 5   1  o 702.787 16.503  268603.50  12561.79 283415.00  17764.29 253789.50  17765.82 720.542 22.762  681.524 24.068  39.01776       33.12674  
1 1 1 -10 5   2  o 366.181 7.2261  72674.54   2865.97  71908.63   3510.46  74205.37   4962.93  364.170 8.9000  369.728 12.393  -5.557465      15.25788  
1 1 1 -10 5   3  o 437.397 7.3898  103696.00  3500.89  102418.90  4950.78  104973.30  4951.22  434.506 10.520  439.900 10.392  -5.394318      14.78697  
1 1 1 -10 5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 5   5  o 747.031 17.415  303708.00  14090.61 309325.41  19927.37 298090.81  19926.88 752.113 24.462  738.193 24.923  13.91992       34.92213  
1 1 1 -10 5   6  o 291.392 5.1055  46003.00   1611.34  44979.83   2277.88  47027.81   2279.70  288.067 7.3007  294.558 7.1456  -6.490570      10.21565  
1 1 1 -10 5   7  o 147.684 3.1951  11813.75   511.088  11363.78   590.617  13155.20   1019.78  144.839 3.7649  155.808 6.0429  -10.96815      7.119765  
1 1 1 -10 5   8  o 327.412 5.6793  58088.89   2014.02  57339.43   2325.77  60335.84   4027.06  325.258 6.6019  333.394 11.152  -8.136414      12.95980  
1 1 1 -10 5   9  o 304.826 6.1379  50359.58   2026.46  50495.27   2481.33  50087.83   3511.55  305.178 7.5069  303.764 10.673  1.413818       13.04875  
1 1 1 -10 5   10 o 435.613 10.423  103029.00  4917.58  103029.00  4917.58  0.0000     0.0000   435.613 10.423  ?       ?       0.000000       10.42270  
1 1 1 -10 5   11 o 138.096 3.7598  10331.78   562.360  10107.68   934.045  10459.20   704.321  136.540 6.3159  138.929 4.6807  -2.389450      7.861276  
1 1 1 -10 5   12 o 176.087 3.4616  16798.58   660.202  16610.30   892.588  17026.01   980.994  175.068 4.7073  177.233 5.1104  -2.165375      6.947999  
1 1 1 -10 5   13 o 344.850 5.9881  64496.57   2236.60  65997.09   3163.48  62996.90   3162.59  348.595 8.3786  340.556 8.5740  8.038513       11.98813  
1 1 1 -10 5   14 o 83.906  2.6697  3813.97    242.615  4268.87    378.094  3495.55    316.329  88.750  3.9333  80.315  3.6364  8.435570       5.356713  
1 1 1 -10 5   15 o 427.657 7.7213  99382.15   3576.49  101059.10  4685.47  97041.05   5536.14  430.744 10.043  421.542 12.125  9.202332       15.74443  
1 1 1 -10 5   16 o 183.979 3.7313  18347.36   743.534  17985.99   1048.78  18712.53   1054.28  182.073 5.3182  185.719 5.2412  -3.645950      7.466835  
1 1 1 -10 5   17 o 40.832  4.2985  914.107    187.246  715.637    266.010  1109.02    263.618  35.657  7.1369  44.864  5.5430  -9.207222      9.036629  
1 1 1 -10 5   18 o 148.751 3.3072  11993.59   532.825  12823.58   754.972  11169.92   752.093  153.750 4.5336  143.478 4.8397  10.27240       6.631444  
1 1 1 -10 5   19 o 300.800 5.6276  49141.89   1833.45  49461.87   2413.29  48705.08   2819.68  301.462 7.3911  298.857 8.7109  2.604248       11.42403  
1 1 1 -10 5   20 o 264.300 5.0873  37932.93   1456.32  37241.91   1925.40  38856.84   2226.31  261.603 6.7953  267.033 7.6975  -5.429047      10.26781  
1 1 1 -10 5   21 o 276.490 5.0264  41527.81   1505.24  41942.52   2129.97  41114.06   2127.50  277.445 7.0881  274.676 7.1512  2.768738       10.06877  
1 1 1 -10 5   22 f 58.502  4.4179  1869.46    277.871  1858.29    444.082  1876.66    356.223  57.907  7.2386  58.448  5.6996  -0.5412407     9.213143  
1 1 1 -10 5   23 o 215.245 4.3499  25186.79   1014.10  25553.43   2565.32  25118.88   1104.02  214.294 11.091  214.876 4.7437  -0.5826569     12.06245  
1 1 1 -10 5   24 o 84.135  2.7520  3841.74    250.787  4072.24    539.027  3778.05    283.319  86.114  5.8132  83.409  3.1361  2.705658       6.605198  
1 1 1 -10 5   25 o 57.617  3.7739  1815.38    234.206  2372.93    499.020  1657.86    265.233  65.170  7.1893  54.934  4.4972  10.23650       8.480043  
1 1 1 -10 5   26 o 60.476  2.6125  1987.49    171.119  2026.43    206.112  1901.13    306.981  60.940  3.1333  58.701  4.8723  2.238152       5.792863  
1 1 1 -10 5   27 o 83.474  2.5824  3789.27    233.483  3570.55    395.901  3905.91    289.112  80.553  4.5564  84.663  3.1528  -4.109993      5.540831  
1 1 1 -10 5   28 o 83.297  3.3185  3789.39    299.393  3707.96    392.590  3902.57    462.840  82.012  4.4362  83.900  5.1177  -1.888512      6.772819  
1 1 1 -10 5   29 o 118.570 3.9479  7726.70    506.996  8248.55    856.219  7444.93    629.152  120.798 6.5689  115.869 5.0132  4.928787       8.263331  
1 1 1 -10 5   30 o 23.323  8.1274  295.615    252.032  397.205    364.703  202.750    348.689  26.971  9.7395  23.067  9.2229  3.904350       13.41340  
1 1 1 -10 5   31 o 43.795  5.8745  1105.33    271.632  1167.27    391.593  1047.89    377.108  43.640  8.5906  41.224  8.7183  2.416065       12.23958  
1 1 1 -10 5   32 o 30.979  1.9187  525.167    64.062   528.799    65.054   408.829    368.185  31.082  1.9421  26.435  9.7490  4.646814       9.940566  
1 1 1 -10 5   33 o 44.268  6.2907  1189.69    293.136  1575.20    410.212  787.395    419.043  49.599  7.9011  32.790  10.461  16.80829       13.10961  
1 1 1 -10 5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 6   3  o 186.534 3.6244  18847.16   732.250  19020.61   1034.82  18673.22   1036.30  187.372 5.0991  185.652 5.1536  1.719727       7.249866  
1 1 1 -10 6   4  f 828.920 27.463  376573.41  24656.50 376573.41  24656.50 0.0000     0.0000   828.920 27.463  ?       ?       0.000000       27.46305  
1 1 1 -10 6   5  o 698.861 11.511  265070.00  8713.34  262681.81  12322.05 267458.69  12323.01 694.938 16.371  701.255 16.224  -6.317444      23.04848  
1 1 1 -10 6   6  o 736.058 12.065  294125.19  9618.71  287774.41  13602.50 300476.69  13603.31 727.132 17.272  743.086 16.902  -15.95343      24.16579  
1 1 1 -10 6   7  o 417.906 7.0833  94663.73   3206.15  96802.62   3702.28  88248.96   6411.59  422.544 8.0896  402.907 14.692  19.63669       16.77219  
1 1 1 -10 6   8  o 697.563 11.371  264163.19  8591.49  262688.00  9920.62  268588.91  17182.86 695.321 13.173  700.844 22.636  -5.522278      26.19018  
1 1 1 -10 6   9  f 333.789 6.4700  60389.78   2339.10  53390.64   2863.47  74427.12   4055.20  313.756 8.4262  370.326 10.110  -56.57004      13.16114  
1 1 1 -10 6   10 o 471.384 9.1641  120576.90  4678.81  120576.90  4678.81  0.0000     0.0000   471.384 9.1641  ?       ?       0.000000       9.164107  
1 1 1 -10 6   11 f 198.406 5.4797  21336.45   1177.54  20618.69   1666.27  22052.54   1664.33  194.949 7.8914  201.626 7.6212  -6.676743      10.97070  
1 1 1 -10 6   12 o 516.131 8.6005  144628.41  4807.87  138847.59  6799.33  150409.30  6799.37  505.020 12.430  525.732 11.941  -20.71228      17.23659  
1 1 1 -10 6   13 o 310.070 5.4142  52129.65   1818.29  52909.07   2572.02  51350.92   2570.89  312.196 7.6063  307.554 7.7178  4.642151       10.83607  
1 1 1 -10 6   14 o 60.791  3.1951  2007.86    209.635  2072.48    298.694  1945.12    294.292  61.667  4.5031  59.725  4.5844  1.942368       6.426113  
1 1 1 -10 6   15 o 334.490 5.8126  60708.50   2105.84  62173.01   2978.70  59245.16   2977.52  338.188 8.1320  330.098 8.3280  8.089447       11.63985  
1 1 1 -10 6   16 f 189.237 3.7333  19411.15   765.180  21030.99   1083.73  17800.85   1080.53  196.898 5.0817  181.120 5.5081  15.77763       7.494202  
1 1 1 -10 6   17 o 410.694 7.0150  91678.81   3120.42  90814.76   4414.33  92541.79   4411.56  407.988 9.9896  411.880 9.8890  -3.891571      14.05644  
1 1 1 -10 6   18 o 295.818 5.2482  47498.29   1681.52  45929.45   2378.48  49065.95   2377.59  290.537 7.5584  300.339 7.3089  -9.802399      10.51425  
1 1 1 -10 6   19 o 165.846 3.5142  14912.26   631.255  14362.79   893.941  15458.77   891.521  162.662 5.0740  168.770 4.8772  -6.107193      7.037921  
1 1 1 -10 6   20 o 531.362 9.4747  154355.59  5452.90  158749.09  10082.39 152539.20  6482.82  532.895 17.468  527.146 11.354  5.748596       20.83422  
1 1 1 -10 6   21 o 111.815 3.0578  6778.59    370.321  7075.72    693.577  6660.11    437.975  114.084 5.6130  110.807 3.6493  3.277718       6.695071  
1 1 1 -10 6   22 o 56.403  3.6843  1733.74    223.836  2047.79    436.774  1621.89    260.667  60.917  6.7324  54.462  4.4581  6.454765       8.074652  
1 1 1 -10 6   23 o 67.822  3.3529  2496.75    246.297  2664.28    481.134  2437.25    286.712  69.552  6.4606  66.860  3.9772  2.692093       7.586667  
1 1 1 -10 6   24 o 152.442 3.3980  12626.28   561.046  11987.23   1094.23  12854.20   653.482  147.798 6.8355  153.727 3.9247  -5.929855      7.882107  
1 1 1 -10 6   25 o 80.894  3.2653  3558.68    286.095  4075.69    600.603  3406.93    325.383  85.805  6.5111  79.092  3.7983  6.713173       7.538002  
1 1 1 -10 6   26 o 107.025 3.3054  6237.74    383.157  6869.33    750.741  6015.28    445.555  111.354 6.2499  104.981 3.9185  6.373199       7.376727  
1 1 1 -10 6   27 o 42.131  1.5248  962.689    69.579   1095.52    458.099  959.553    70.396   42.851  10.045  42.062  1.5452  0.7887306      10.16324  
1 1 1 -10 6   28 o 109.095 3.1368  6494.36    370.645  6198.77    661.863  6629.41    447.374  105.470 5.8164  110.044 3.7535  -4.574280      6.922348  
1 1 1 -10 6   29 o 181.868 3.8251  18163.32   753.469  19735.54   1503.65  17636.19   870.666  186.003 7.4638  178.738 4.4974  7.264877       8.714053  
1 1 1 -10 6   30 o 94.522  3.3867  4903.77    346.724  4884.57    688.417  4910.30    401.345  92.171  6.9469  94.368  3.9266  -2.197105      7.979825  
1 1 1 -10 6   31 o 29.500  8.3268  533.645    277.680  154.496    449.405  767.788    353.162  23.992  10.116  34.979  9.1990  -10.98716      13.67301  
1 1 1 -10 6   32 o 40.087  1.5980  874.341    69.383   1124.07    98.713   630.503    97.542   45.391  2.0078  33.795  2.6870  11.59616       3.354307  
1 1 1 -10 6   33 o 23.121  1.8214  293.865    45.243   499.405    382.411  290.947    45.563   27.133  9.9462  23.001  1.8445  4.132860       10.11581  
1 1 1 -10 6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 7   1  o 563.344 10.743  172172.91  6555.02  175289.20  8028.79  165942.91  11352.04 568.178 13.047  552.011 18.987  16.16748       23.03732  
1 1 1 -10 7   2  o 483.244 8.0609  126593.50  4219.09  128349.90  5966.66  124837.00  5966.74  486.345 11.327  479.630 11.486  6.715088       16.13148  
1 1 1 -10 7   3  o 688.115 16.116  257472.30  12011.38 251265.70  16987.41 263677.81  16985.91 678.313 23.122  695.003 22.565  -16.68958      32.30792  
1 1 1 -10 7   4  o 79.961  2.5705  3462.90    222.624  3789.10    311.180  3120.89    318.628  83.639  3.4351  75.804  3.8939  7.834244       5.192525  
1 1 1 -10 7   5  f 323.038 5.6211  56542.19   1966.73  57235.51   2780.56  55848.05   2782.19  324.930 7.9008  320.964 8.0031  3.966797       11.24602  
1 1 1 -10 7   6  o 165.573 3.3506  14849.16   600.865  14078.24   693.466  17171.41   1203.58  161.211 3.9715  178.008 6.2426  -16.79642      7.398846  
1 1 1 -10 7   7  o 614.346 10.168  204770.50  6765.79  204926.30  7812.40  204303.00  13531.85 614.391 11.740  611.937 20.416  2.454285       23.55124  
1 1 1 -10 7   8  o 505.958 8.4648  138824.00  4638.74  140440.80  5356.52  133974.70  9276.65  508.785 9.7203  495.970 17.269  12.81458       19.81664  
1 1 1 -10 7   9  o 556.877 10.641  168341.59  6418.17  162437.70  7859.71  180157.70  11119.18 546.664 13.274  574.851 17.859  -28.18713      22.25173  
1 1 1 -10 7   10 o 300.960 6.1611  49097.38   2008.33  49097.38   2008.33  0.0000     0.0000   300.960 6.1611  ?       ?       0.000000       6.161077  
1 1 1 -10 7   11 o 445.222 10.643  107701.60  5132.38  105221.90  7258.77  110180.80  7257.80  439.307 15.255  449.608 14.904  -10.30151      21.32733  
1 1 1 -10 7   12 o 48.765  3.5339  1295.16    185.387  943.791    264.450  1634.71    259.961  41.277  6.0989  54.745  4.4220  -13.46814      7.533291  
1 1 1 -10 7   13 o 277.760 4.9360  41823.47   1484.96  42767.80   2101.04  40880.93   2099.05  280.741 6.9097  274.466 7.0610  6.274933       9.879313  
1 1 1 -10 7   14 o 358.970 6.1452  69916.30   2389.25  70039.98   3379.51  69792.70   3378.31  358.948 8.6927  358.311 8.7050  0.6361389      12.30200  
1 1 1 -10 7   15 o 41.987  3.9887  964.194    179.214  961.799    255.114  966.528    251.813  41.703  5.8054  41.822  5.7081  -0.1185951     8.141603  
1 1 1 -10 7   16 o 148.006 3.3214  11871.87   532.434  12017.64   750.333  11724.03   755.646  148.860 4.6538  147.026 4.7452  1.833878       6.646401  
1 1 1 -10 7   17 o 446.709 8.0742  108594.30  3906.54  105100.70  6050.71  111091.50  5115.64  437.873 12.758  451.068 10.471  -13.19531      16.50491  
1 1 1 -10 7   18 o 284.871 5.0716  44041.51   1564.82  44476.75   3126.93  43896.09   1807.42  285.371 10.117  284.297 5.8697  1.073425       11.69619  
1 1 1 -10 7   19 o 167.274 3.6569  15171.59   662.540  14457.46   1546.28  15332.18   733.260  162.577 8.8143  168.135 4.0265  -5.558502      9.690400  
1 1 1 -10 7   20 o 282.694 5.0986  43398.06   1561.11  44162.07   3118.83  43142.65   1803.28  284.018 10.139  281.727 5.9097  2.290344       11.73520  
1 1 1 -10 7   21 o 207.024 4.0326  23257.10   904.223  22770.18   1802.79  23420.77   1045.20  204.214 8.1506  207.683 4.6465  -3.469040      9.382035  
1 1 1 -10 7   22 o 70.849  3.3000  2722.97    253.229  2106.67    495.272  2941.11    294.655  61.645  7.5773  73.523  3.7122  -11.87750      8.437792  
1 1 1 -10 7   23 o 146.731 3.4275  11688.01   544.717  11123.16   1044.24  11899.17   638.466  142.643 6.7589  147.988 3.9833  -5.344940      7.845364  
1 1 1 -10 7   24 o 165.658 3.5222  14914.60   631.970  13117.04   1238.36  15547.61   734.867  154.420 7.4041  169.047 4.0136  -14.62776      8.421990  
1 1 1 -10 7   25 o 46.551  4.3288  1192.25    215.755  928.853    473.506  1261.26    242.379  39.826  10.734  47.818  4.7424  -7.992123      11.73497  
1 1 1 -10 7   26 o 119.452 3.2655  7769.61    422.490  8430.95    846.531  7550.24    487.553  123.343 6.3582  117.634 3.8267  5.709557       7.420955  
1 1 1 -10 7   27 o 78.829  2.7684  3381.50    236.362  3616.27    589.871  3336.59    257.978  80.270  6.8504  78.265  3.0433  2.005104       7.495955  
1 1 1 -10 7   28 o 117.015 3.1846  7473.60    403.619  6626.62    754.301  7813.41    477.772  108.712 6.4348  119.485 3.6918  -10.77335      7.418620  
1 1 1 -10 7   29 o 72.581  2.7912  2874.28    219.426  2922.43    293.022  2812.80    331.082  72.884  3.7244  71.312  4.3067  1.571495       5.693716  
1 1 1 -10 7   30 o 73.171  3.6583  2945.35    289.931  3421.31    577.973  2785.31    335.149  77.019  7.0051  70.786  4.3931  6.232819       8.268643  
1 1 1 -10 7   31 o 49.699  2.2055  1346.82    118.722  1205.78    486.271  1355.76    122.427  43.205  10.495  49.854  2.2673  -6.648785      10.73741  
1 1 1 -10 7   32 o 29.311  1.1654  466.443    36.997   374.133    52.306   558.856    52.336   26.136  1.8599  32.057  1.5073  -5.920975      2.394031  
1 1 1 -10 7   33 o 20.536  8.8300  124.574    354.232  391.149    446.702  -327.0676  581.440  25.557  10.361  20.300  9.6586  5.256664       14.16461  
1 1 1 -10 7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 8   1  o 514.902 9.9718  143800.70  5561.22  135932.50  9632.79  147734.30  6810.91  499.773 17.795  521.711 12.053  -21.93747      21.49325  
1 1 1 -10 8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 8   3  o 582.873 9.6235  184256.30  6075.46  181647.09  8591.66  186865.91  8592.33  578.296 13.717  586.568 13.525  -8.272766      19.26310  
1 1 1 -10 8   4  o 232.234 4.2815  29215.79   1076.93  29210.45   1522.15  29221.15   1523.88  232.178 6.0529  232.220 6.0587  -0.4237366E-01 8.564215  
1 1 1 -10 8   5  o 476.504 7.8763  123088.60  4064.96  117852.80  5748.08  128326.80  5749.37  465.999 11.389  486.308 10.915  -20.30902      15.77477  
1 1 1 -10 8   6  o 536.596 8.9528  156145.30  5203.27  156048.50  6007.94  156435.59  10407.99 536.307 10.343  535.993 17.928  0.3142700      20.69776  
1 1 1 -10 8   7  o 304.075 5.3563  50098.54   1764.06  50421.01   2036.68  49130.05   3529.56  305.026 6.1647  300.881 10.831  4.144775       12.46224  
1 1 1 -10 8   8  o 584.620 11.128  185534.59  7046.24  177766.59  8629.04  201079.30  12206.70 571.864 13.932  607.330 18.557  -35.46619      23.20437  
1 1 1 -10 8   9  o 548.179 12.967  163318.41  7698.92  163318.41  7698.92  0.0000     0.0000   548.179 12.967  ?       ?       0.000000       12.96693  
1 1 1 -10 8   10 o 291.843 6.0640  46167.33   1916.81  46167.33   1916.81  0.0000     0.0000   291.843 6.0640  ?       ?       0.000000       6.064010  
1 1 1 -10 8   11 o 395.914 9.5646  85115.93   4101.47  83184.54   5801.75  87045.46   5798.96  390.843 13.705  399.860 13.390  -9.017517      19.16034  
1 1 1 -10 8   12 o 286.528 5.0656  44500.36   1572.04  45173.34   2223.85  43828.16   2222.56  288.561 7.1154  284.224 7.2197  4.336304       10.13673  
1 1 1 -10 8   13 o 247.914 4.5615  33313.87   1224.84  32838.14   1732.85  33788.86   1731.52  246.026 6.5029  249.569 6.4057  -3.542633      9.128052  
1 1 1 -10 8   14 o 139.203 3.3240  10499.76   501.163  10807.54   690.047  10156.19   729.064  141.195 4.5122  136.861 4.9183  4.334167       6.674572  
1 1 1 -10 8   15 o 268.857 4.8423  39199.01   1410.07  37273.16   1992.72  41130.36   1995.56  261.973 7.0230  275.230 6.6942  -13.25745      9.702271  
1 1 1 -10 8   16 o 276.924 4.9146  41597.01   1474.08  42237.94   2085.62  40957.27   2083.70  278.830 6.9060  274.557 7.0070  4.272552       9.838252  
1 1 1 -10 8   17 o 294.716 5.1735  47133.07   1651.42  44694.07   3301.36  47947.04   1907.19  286.056 10.655  297.157 5.9257  -11.10065      12.19229  
1 1 1 -10 8   18 o 251.116 4.6243  34210.72   1257.74  35720.81   2512.96  33706.02   1452.80  255.952 9.0648  249.178 5.3830  6.773926       10.54261  
1 1 1 -10 8   19 o 122.671 3.1222  8156.72    414.832  8423.13    821.943  8065.67    480.521  124.501 6.0953  121.965 3.6375  2.536339       7.098216  
1 1 1 -10 8   20 o 234.156 4.5935  29759.79   1164.99  30181.55   2178.26  29590.82   1378.74  235.158 8.5523  233.383 5.4544  1.774841       10.14354  
1 1 1 -10 8   21 o 211.340 4.0603  24237.79   929.410  24527.48   1858.38  24141.17   1073.28  211.954 8.0951  210.844 4.6998  1.109009       9.360522  
1 1 1 -10 8   22 f 116.695 3.0762  7385.64    388.815  7298.66    755.811  7416.94    453.413  115.604 6.0574  116.911 3.5807  -1.307617      7.036572  
1 1 1 -10 8   23 o 75.922  2.7367  3126.53    225.048  2864.81    319.643  3383.79    316.907  72.491  4.0877  78.933  3.7068  -6.441406      5.518189  
1 1 1 -10 8   24 o 89.890  2.8130  4385.87    273.876  4128.67    446.537  4540.97    346.757  86.901  4.7623  91.408  3.5025  -4.506912      5.911610  
1 1 1 -10 8   25 o 68.227  2.5391  2527.39    187.628  2362.86    532.667  2550.70    200.477  64.854  7.7358  68.529  2.7010  -3.675072      8.193767  
1 1 1 -10 8   26 o 65.263  3.6848  2330.07    259.403  2147.47    527.167  2388.41    297.974  61.456  8.1186  65.981  4.1913  -4.525307      9.136622  
1 1 1 -10 8   27 o 115.036 3.2249  7213.84    401.807  7855.66    819.180  7010.51    461.083  118.748 6.3927  113.270 3.7583  5.478889       7.415619  
1 1 1 -10 8   28 o 59.196  3.9981  1929.74    254.839  2124.73    508.020  1864.17    294.584  60.739  7.9098  57.984  4.7319  2.755592       9.217184  
1 1 1 -10 8   29 o 56.928  2.4981  1765.68    154.032  1777.74    181.109  1734.13    292.842  56.982  2.9446  55.744  4.9001  1.238159       5.716741  
1 1 1 -10 8   30 o 59.791  3.8188  1977.06    246.014  2652.18    522.167  1784.45    278.908  67.594  7.2453  56.526  4.5954  11.06806       8.579702  
1 1 1 -10 8   31 o 21.918  1.7652  262.983    41.551   516.120    439.650  260.702    41.738   29.576  10.691  21.820  1.7816  7.755623       10.83887  
1 1 1 -10 8   32 o 35.627  1.4254  689.994    55.002   707.708    56.257   306.298    261.827  36.080  1.4396  23.183  8.2657  12.89733       8.390164  
1 1 1 -10 8   33 o 35.459  8.8464  854.021    338.634  0.0000     0.0000   854.021    338.634  ?       ?       35.459  8.8464  0.000000       8.846369  
1 1 1 -10 8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 9   1  o 98.520  2.6275  5256.93    280.375  5037.43    396.271  5476.96    396.750  96.435  3.7939  100.555 3.6429  -4.119987      5.259675  
1 1 1 -10 9   2  o 110.959 2.8096  6668.36    337.664  6814.83    477.045  6521.29    478.014  112.164 3.9268  109.721 4.0223  2.442932       5.621274  
1 1 1 -10 9   3  o 741.686 17.267  299317.31  13871.31 302691.19  19618.23 295944.31  19615.77 744.125 24.341  735.707 24.617  8.418030       34.61910  
1 1 1 -10 9   4  o 115.128 2.7951  7178.82    348.536  7402.45    491.349  6952.34    494.474  116.900 3.8807  113.289 4.0298  3.610916       5.594543  
1 1 1 -10 9   5  o 457.707 7.5645  113560.80  3750.06  112792.60  4329.80  115867.30  7502.16  456.082 8.7651  461.689 15.003  -5.606995      17.37539  
1 1 1 -10 9   6  f 204.315 3.6951  22612.14   817.706  21380.72   943.556  26326.81   1638.80  198.664 4.3851  220.396 6.8652  -21.73167      8.146141  
1 1 1 -10 9   7  o 553.894 9.1775  166401.80  5505.80  161810.70  6357.29  180179.80  11012.99 546.045 10.749  575.180 17.678  -29.13495      20.68945  
1 1 1 -10 9   8  o 580.925 11.084  183197.70  6974.05  179281.80  8540.74  191033.41  12081.38 574.317 13.730  591.883 18.846  -17.56683      23.31678  
1 1 1 -10 9   9  o 170.007 4.0954  15657.78   754.116  15657.78   754.116  0.0000     0.0000   170.007 4.0954  ?       ?       0.000000       4.095447  
1 1 1 -10 9   10 o 441.230 7.4250  105578.10  3548.40  101069.20  4097.22  119107.50  7097.38  431.588 8.7650  467.819 14.007  -36.23102      16.52348  
1 1 1 -10 9   11 o 208.516 5.7199  23569.19   1291.80  21835.35   1831.09  25287.21   1822.71  200.585 8.4283  215.892 7.7949  -15.30650      11.48031  
1 1 1 -10 9   12 o 92.893  2.9499  4674.58    296.794  4508.87    337.741  5236.39    621.871  91.227  3.4181  98.097  5.8801  -6.869484      6.801412  
1 1 1 -10 9   13 o 261.195 4.7312  36981.79   1338.47  35431.61   1893.30  38530.59   1892.46  255.529 6.8408  266.491 6.5565  -10.96227      9.475492  
1 1 1 -10 9   14 o 313.022 5.4698  53144.45   1854.46  53017.95   2623.27  53270.82   2621.94  312.408 7.7527  313.155 7.7302  -0.7469177     10.94807  
1 1 1 -10 9   15 o 329.085 5.0259  58735.28   1791.39  59838.99   2834.56  58001.30   2311.52  331.803 7.8874  326.856 6.5294  4.947601       10.23933  
1 1 1 -10 9   16 o 276.564 4.9547  41490.66   1484.17  40646.20   2965.78  41772.80   1714.26  273.036 10.029  277.428 5.7050  -4.391998      11.53797  
1 1 1 -10 9   17 f 238.712 4.3917  30904.81   1135.49  30492.46   2264.69  31043.28   1312.36  236.586 8.8379  239.188 5.0657  -2.602066      10.18677  
1 1 1 -10 9   18 o 193.762 3.8034  20356.48   798.188  19950.64   1592.34  20492.68   922.450  191.464 7.6785  194.370 4.3817  -2.905975      8.840743  
1 1 1 -10 9   19 o 363.954 6.2843  71997.51   2477.27  71235.78   4952.54  72251.69   2860.89  360.007 12.701  364.376 7.2490  -4.369598      14.62432  
1 1 1 -10 9   20 o 73.908  3.2111  2961.44    257.052  3503.18    505.131  2772.13    298.608  80.068  5.8655  71.384  3.8767  8.684677       7.030885  
1 1 1 -10 9   21 o 176.876 3.6672  16971.23   702.552  17656.16   1392.27  16737.25   813.752  179.987 7.1419  175.600 4.2786  4.387619       8.325428  
1 1 1 -10 9   22 o 124.764 3.1928  8443.50    431.454  8327.12    831.366  8486.40    504.747  123.466 6.2371  125.044 3.7268  -1.577904      7.265718  
1 1 1 -10 9   23 o 228.194 4.2756  28309.63   1056.74  25797.87   2102.12  29159.03   1222.43  216.417 8.9680  231.458 4.8762  -15.04105      10.20796  
1 1 1 -10 9   24 o 17.077  6.4568  115.577    163.564  294.300    284.846  27.657     199.785  24.514  8.6341  16.239  6.7896  8.274738       10.98393  
1 1 1 -10 9   25 o 42.123  1.3609  961.634    62.088   1218.59    90.556   733.691    85.291   47.406  1.7636  36.710  2.1545  10.69613       2.784335  
1 1 1 -10 9   26 o 28.669  6.8343  473.651    209.216  157.390    429.595  571.983    239.543  24.755  10.113  31.477  7.1845  -6.722103      12.40536  
1 1 1 -10 9   27 o 61.305  2.1282  2041.21    141.310  2348.13    513.129  2016.02    146.993  64.309  7.5082  60.917  2.2279  3.392418       7.831762  
1 1 1 -10 9   28 o 29.798  6.8541  517.232    216.600  714.185    436.917  453.056    249.405  34.559  10.634  27.852  7.9019  6.706966       13.24809  
1 1 1 -10 9   29 o 68.464  2.7756  2557.44    205.818  2422.72    269.514  2745.93    318.792  66.326  3.7672  70.488  4.1946  -4.161514      5.637973  
1 1 1 -10 9   30 o 57.393  3.9027  1824.18    241.160  2360.49    513.775  1672.63    273.116  63.498  7.6228  54.690  4.6550  8.808109       8.931737  
1 1 1 -10 9   31 o 33.418  6.5255  659.803    227.717  1049.57    458.639  532.283    262.337  40.281  10.430  29.514  8.0044  10.76685       13.14756  
1 1 1 -10 9   32 o 52.639  2.2646  1515.07    129.112  1584.62    144.225  1234.41    289.719  53.783  2.4759  45.921  5.9659  7.861721       6.459255  
1 1 1 -10 9   33 o 26.359  9.2069  467.121    323.525  0.0000     0.0000   467.121    323.525  ?       ?       26.359  9.2069  0.000000       9.206931  
1 1 1 -10 9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 10  1  o 509.659 8.3980  140825.80  4635.84  135013.91  6555.66  146639.20  6556.47  498.730 12.136  519.806 11.646  -21.07584      16.81976  
1 1 1 -10 10  2  o 259.084 4.5049  36363.07   1264.14  37588.82   1787.50  35136.58   1788.03  263.375 6.2661  254.633 6.4832  8.741547       9.016455  
1 1 1 -10 10  3  o 793.698 26.300  344927.00  22609.35 0.0000     0.0000   344927.00  22609.35 ?       ?       793.698 26.300  0.000000       26.30040  
1 1 1 -10 10  4  o 146.118 3.1231  11564.17   494.271  11175.35   697.119  11957.24   700.907  143.628 4.4812  148.569 4.3557  -4.940903      6.249311  
1 1 1 -10 10  5  o 490.922 8.1211  130660.60  4318.15  127799.80  4985.66  139250.00  8638.97  485.421 9.4827  506.031 15.762  -20.60968      18.39475  
1 1 1 -10 10  6  o 438.116 7.3556  104046.30  3490.42  103030.30  4029.96  107097.00  6983.05  435.901 8.5358  443.890 14.524  -7.988464      16.84693  
1 1 1 -10 10  7  o 442.310 7.4606  106056.50  3574.15  106528.80  4126.98  104639.30  7148.82  443.220 8.5969  438.659 15.047  4.561035       17.32934  
1 1 1 -10 10  8  o 425.594 8.2528  98223.21   3804.24  95242.92   4658.62  104188.50  6590.87  418.934 10.267  437.788 13.900  -18.85428      17.28048  
1 1 1 -10 10  9  o 151.249 3.8000  12392.56   622.501  12392.56   622.501  0.0000     0.0000   151.249 3.8000  ?       ?       0.000000       3.799957  
1 1 1 -10 10  10 o 508.034 8.5166  140034.91  4686.26  137261.59  5411.22  148355.09  9372.61  502.809 9.9362  521.551 16.592  -18.74200      19.33951  
1 1 1 -10 10  11 o 277.368 7.0383  41726.21   2114.45  40034.57   2992.30  43413.30   2988.26  271.465 10.177  282.724 9.7586  -11.25897      14.09972  
1 1 1 -10 10  12 f 155.795 3.4145  13150.19   576.167  12783.48   667.048  14227.65   1143.39  153.596 4.0097  161.962 6.5179  -8.366821      7.652517  
1 1 1 -10 10  13 o 176.830 3.7415  16944.01   716.591  15954.65   1073.11  17740.22   962.680  171.517 5.7765  180.897 4.9134  -9.379517      7.583519  
1 1 1 -10 10  14 o 293.292 4.5902  46635.47   1458.15  47847.03   2306.27  45828.62   1882.06  296.844 7.1732  290.633 5.9788  6.210297       9.338164  
1 1 1 -10 10  15 o 396.102 6.7108  85194.17   2879.06  89644.30   5757.31  83710.23   3324.61  404.796 13.131  392.450 7.8214  12.34570       15.28432  
1 1 1 -10 10  16 o 227.617 4.5165  28096.60   1113.46  27955.17   2872.24  28121.61   1207.92  225.835 11.783  227.691 4.8981  -1.855148      12.76077  
1 1 1 -10 10  17 o 199.207 3.8788  21515.38   836.890  20176.16   1669.76  21964.67   967.134  192.547 8.0066  201.240 4.4371  -8.693512      9.153877  
1 1 1 -10 10  18 o 371.626 6.3922  75048.94   2572.92  74755.67   5144.23  75146.78   2971.25  368.971 12.872  371.656 7.3812  -2.684753      14.83847  
1 1 1 -10 10  19 o 335.073 5.8609  60996.71   2127.02  59229.86   4249.36  61587.39   2456.97  328.536 11.942  336.518 6.7410  -7.981689      13.71304  
1 1 1 -10 10  20 o 96.805  3.0568  5080.15    320.511  5338.12    633.860  4991.54    371.504  98.917  5.9439  95.939  3.5752  2.977737       6.936277  
1 1 1 -10 10  21 o 376.419 6.4521  77137.66   2630.53  73923.23   5256.97  78211.37   3038.26  365.402 13.283  378.714 7.4070  -13.31186      15.20858  
1 1 1 -10 10  22 o 93.219  3.0633  4713.09    309.293  4365.30    589.288  4845.32    363.366  89.305  6.1294  94.493  3.5504  -5.187935      7.083375  
1 1 1 -10 10  23 o 147.353 3.3310  11786.81   531.620  11377.91   1044.55  11929.75   617.591  144.253 6.6855  148.184 3.8479  -3.931473      7.713783  
1 1 1 -10 10  24 o 236.548 4.3570  30474.00   1116.28  28098.89   2222.12  31275.66   1290.99  225.012 9.1178  239.433 4.9782  -14.42105      10.38832  
1 1 1 -10 10  25 o 151.638 3.4397  12513.29   564.928  12761.49   1127.11  12430.02   652.852  152.045 6.8442  151.005 3.9916  1.039719       7.923191  
1 1 1 -10 10  26 o 107.987 3.0708  6346.43    359.167  6107.41    646.898  6452.95    431.844  105.154 5.7012  108.775 3.6654  -3.620941      6.777819  
1 1 1 -10 10  27 o 59.008  1.9392  1890.24    123.936  1512.77    493.897  1915.60    128.033  50.766  9.3262  59.399  1.9901  -8.633228      9.536141  
1 1 1 -10 10  28 o 17.616  7.0695  91.641     205.701  213.254    416.467  52.400     236.571  24.998  10.050  17.779  7.4070  7.218966       12.48431  
1 1 1 -10 10  29 o 58.948  4.0304  1920.18    255.782  2193.13    509.607  1828.27    295.732  61.412  7.8404  57.269  4.8123  4.142929       9.199459  
1 1 1 -10 10  30 o 17.125  2.4052  162.989    43.383   594.778    438.151  158.714    43.597   31.407  10.727  16.886  2.4557  14.52156       11.00426  
1 1 1 -10 10  31 o 69.342  3.7489  2663.43    280.516  3234.52    561.600  2473.57    323.802  74.425  7.0510  66.479  4.5239  7.946068       8.377480  
1 1 1 -10 10  32 o 52.380  2.6401  1509.31    149.299  1400.09    172.614  1833.69    297.470  50.265  3.1871  56.726  4.8894  -6.460865      5.836385  
1 1 1 -10 10  33 o 29.349  9.2479  599.084    328.270  0.0000     0.0000   599.084    328.270  ?       ?       29.349  9.2479  0.000000       9.247948  
1 1 1 -10 10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 11  1  o 212.063 3.8794  24359.87   891.053  24432.11   1259.93  24287.58   1260.34  212.352 5.4780  211.723 5.4960  0.6293640      7.759824  
1 1 1 -10 11  2  o 344.296 5.9328  64231.35   2212.38  65073.41   3128.57  63389.07   3128.98  346.451 8.3375  341.932 8.4487  4.518188       11.86989  
1 1 1 -10 11  3  o 444.590 7.5190  107140.70  3620.70  110472.00  5120.19  103808.60  5120.69  451.255 10.476  437.410 10.809  13.84583       15.05229  
1 1 1 -10 11  4  o 680.085 12.955  251166.59  9542.36  247782.00  11686.25 257938.09  16529.86 675.003 15.985  687.365 22.203  -12.36169      27.35831  
1 1 1 -10 11  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 11  6  o 474.775 7.8720  122204.80  4048.02  119100.30  4673.76  131526.20  8098.63  468.612 9.2084  491.822 15.203  -23.20941      17.77441  
1 1 1 -10 11  7  o 289.122 5.1151  45291.28   1601.78  46787.53   1849.77  40806.27   3202.56  293.839 5.8122  274.205 10.783  19.63385       12.24995  
1 1 1 -10 11  8  o 319.964 6.3857  55487.56   2213.01  52102.22   2709.70  62268.24   3834.93  309.974 8.0710  338.719 10.453  -28.74481      13.20640  
1 1 1 -10 11  9  o 921.424 21.502  464556.19  21458.79 464556.19  21458.79 0.0000     0.0000   921.424 21.502  ?       ?       0.000000       21.50183  
1 1 1 -10 11  10 o 150.467 3.2910  12264.47   536.340  11997.84   620.360  13053.66   1067.29  148.815 3.8488  155.173 6.3503  -6.357803      7.425631  
1 1 1 -10 11  11 o 224.153 4.8747  27230.15   1183.49  26260.21   1451.36  29154.95   2044.54  220.079 6.0887  231.787 8.1440  -11.70790      10.16843  
1 1 1 -10 11  12 o 234.025 4.3249  29679.96   1096.23  29082.22   1266.47  31465.82   2189.10  231.628 5.0482  240.734 8.3957  -9.106339      9.796539  
1 1 1 -10 11  13 o 196.639 3.4453  20951.24   733.776  20156.35   1162.07  21478.34   946.287  192.792 5.5651  199.065 4.3889  -6.273499      7.087545  
1 1 1 -10 11  14 o 129.268 3.0677  9053.98    429.509  8790.53    854.432  9143.06    496.846  127.277 6.1981  129.892 3.5316  -2.615440      7.133610  
1 1 1 -10 11  15 o 206.005 3.9467  23003.73   880.617  21245.29   1755.33  23595.16   1017.99  197.670 8.1987  208.607 4.5055  -10.93645      9.355156  
1 1 1 -10 11  16 o 287.012 5.1043  44690.75   1586.75  44785.88   3171.74  44658.99   1832.56  286.548 10.220  286.824 5.8989  -0.2763977     11.79982  
1 1 1 -10 11  17 o 136.494 3.2342  10097.58   478.129  10030.51   945.426  10120.63   554.229  135.880 6.4240  136.631 3.7452  -0.7516785     7.435960  
1 1 1 -10 11  18 o 163.079 3.4417  14417.00   607.916  14598.71   1204.99  14354.96   704.085  163.867 6.7893  162.700 3.9955  1.166595       7.877690  
1 1 1 -10 11  19 o 202.994 3.9548  22348.38   869.511  22186.95   1735.79  22402.46   1004.65  201.811 7.9411  203.190 4.5650  -1.378860      9.159717  
1 1 1 -10 11  20 o 117.103 3.1172  7434.25    395.365  7019.70    766.540  7584.50    461.486  113.437 6.2632  118.259 3.6029  -4.821983      7.225542  
1 1 1 -10 11  21 o 302.598 5.3646  49770.88   1758.23  48734.88   3509.82  50117.96   2031.51  297.728 10.884  303.468 6.1807  -5.740326      12.51661  
1 1 1 -10 11  22 f 190.343 3.7932  19666.67   782.016  17605.50   1550.60  20369.77   905.626  179.374 7.9812  193.648 4.3178  -14.27409      9.074322  
1 1 1 -10 11  23 o 146.206 3.3557  11605.07   531.401  10218.53   1153.25  11978.82   598.755  136.227 7.8493  148.500 3.7227  -12.27310      8.687355  
1 1 1 -10 11  24 o 92.389  3.0435  4635.57    304.558  4365.29    580.709  4738.11    357.699  89.088  6.0542  93.360  3.5374  -4.271645      7.011870  
1 1 1 -10 11  25 f 43.812  4.6399  1060.24    216.826  1949.77    470.348  820.196    244.337  58.860  7.5521  38.165  6.1176  20.69461       9.718976  
1 1 1 -10 11  26 o 27.622  6.9291  439.891    206.944  295.261    425.627  484.666    236.820  26.854  10.351  28.951  7.4940  -2.097422      12.77932  
1 1 1 -10 11  27 o 71.404  2.0420  2768.60    157.922  2850.90    283.545  2731.59    190.143  72.155  3.6399  70.879  2.4768  1.275299       4.402658  
1 1 1 -10 11  28 o 33.340  6.4596  641.247    224.838  546.609    438.309  675.042    261.925  31.174  10.726  33.987  7.3308  -2.812500      12.99196  
1 1 1 -10 11  29 o 13.483  6.1783  -129.3930  203.914  -449.4345  413.651  -26.6518   234.371  17.198  8.1722  16.212  7.0750  0.9857006      10.80926  
1 1 1 -10 11  30 o 41.259  5.3240  967.497    232.367  856.448    461.933  1005.12    268.860  36.655  10.862  41.760  6.1263  -5.105038      12.47015  
1 1 1 -10 11  31 o 19.162  7.3659  160.536    215.079  -365.1354  434.815  330.816    247.474  18.137  8.5461  23.982  8.0622  -5.845688      11.74882  
1 1 1 -10 11  32 o 28.126  2.0462  434.111    61.908   422.718    63.695   628.612    263.181  27.736  2.1367  31.717  7.7314  -3.980680      8.021206  
1 1 1 -10 11  33 o 25.654  9.1816  436.728    323.351  0.0000     0.0000   436.728    323.351  ?       ?       25.654  9.1816  0.000000       9.181550  
1 1 1 -10 11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 12  1  f 801.023 26.543  351400.00  23028.77 0.0000     0.0000   351400.00  23028.77 ?       ?       801.023 26.543  0.000000       26.54333  
1 1 1 -10 12  2  o 204.989 4.0014  22762.06   888.406  22639.86   1255.78  22884.50   1257.01  204.411 5.6720  205.513 5.6472  -1.101883      8.003894  
1 1 1 -10 12  3  o 377.839 6.8338  77371.64   2796.66  83517.68   3669.04  68849.45   4320.46  392.470 8.6313  356.195 11.199  36.27469       14.13904  
1 1 1 -10 12  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 12  5  f 538.148 8.8992  157046.41  5187.06  155252.41  5989.04  162432.00  10376.51 534.940 10.337  546.240 17.539  -11.29999      20.35813  
1 1 1 -10 12  6  o 139.526 3.1198  10544.46   471.463  10860.68   544.110  9591.78    944.430  141.599 3.5478  133.034 6.5544  8.564453       7.453015  
1 1 1 -10 12  7  o 393.964 7.7206  84147.05   3294.39  83793.05   4033.99  84855.88   5708.31  393.022 9.4765  395.181 13.336  -2.158112      16.36049  
1 1 1 -10 12  8  o 470.192 11.168  120030.20  5687.73  120030.20  5687.73  0.0000     0.0000   470.192 11.168  ?       ?       0.000000       11.16848  
1 1 1 -10 12  9  o 1061.55 35.608  628025.81  40941.58 628025.81  40941.58 0.0000     0.0000   1061.55 35.608  ?       ?       0.000000       35.60844  
1 1 1 -10 12  10 f 255.937 4.5960  35493.98   1274.03  33509.59   1470.88  41454.93   2549.31  248.651 5.4616  276.404 8.5155  -27.75276      10.11642  
1 1 1 -10 12  11 o 263.561 5.5663  37655.55   1588.97  36460.77   1949.71  40018.65   2742.00  259.275 6.9429  271.465 9.3258  -12.18930      11.62640  
1 1 1 -10 12  12 o 229.718 3.8359  28593.67   954.408  28721.51   1234.50  28403.74   1504.74  230.188 4.9515  228.859 6.0705  1.329926       7.833794  
1 1 1 -10 12  13 o 188.262 3.7273  19206.15   760.035  19042.44   1075.91  19369.22   1073.80  187.398 5.3008  189.002 5.2455  -1.603577      7.457448  
1 1 1 -10 12  14 o 164.519 3.4503  14667.15   614.805  15264.67   1226.85  14466.78   710.449  167.686 6.7550  163.373 4.0150  4.313141       7.858113  
1 1 1 -10 12  15 o 87.698  2.8564  4167.06    271.316  3650.94    536.309  4344.58    314.535  81.790  6.0978  89.540  3.2433  -7.749527      6.906683  
1 1 1 -10 12  16 o 206.054 3.9797  23018.57   888.178  23444.49   1774.08  22876.11   1026.02  207.618 7.8893  205.377 4.6125  2.241745       9.138682  
1 1 1 -10 12  17 o 86.744  2.9282  4077.66    275.117  4058.05    543.831  4084.41    318.939  86.253  5.8560  86.806  3.3922  -0.5536804     6.767579  
1 1 1 -10 12  18 o 57.216  1.9345  1773.45    119.882  2295.47    184.717  1393.57    157.576  65.086  2.6203  50.627  2.8856  14.45880       3.897769  
1 1 1 -10 12  19 o 170.287 3.7275  15724.41   687.503  15788.70   1619.46  15710.27   759.323  169.895 8.8312  170.186 4.1194  -0.2904053     9.744721  
1 1 1 -10 12  20 o 111.749 2.9723  6769.40    359.752  6691.90    690.951  6798.23    421.372  110.807 5.7772  111.966 3.4746  -1.158974      6.741573  
1 1 1 -10 12  21 o 71.996  3.2881  2811.09    256.404  2395.14    467.565  2989.97    306.619  65.988  6.6317  74.134  3.8317  -8.146553      7.659108  
1 1 1 -10 12  22 o 86.820  3.0632  4088.36    288.049  4060.37    547.732  4099.06    338.661  86.141  5.9063  86.907  3.5978  -0.7661514     6.915843  
1 1 1 -10 12  23 o 217.556 4.2231  25734.64   995.102  26180.40   1975.40  25583.05   1151.94  218.166 8.3598  216.763 4.9065  1.402924       9.693311  
1 1 1 -10 12  24 o 138.894 3.3253  10483.17   500.241  10172.85   950.103  10602.18   588.404  136.186 6.4412  139.592 3.8917  -3.406998      7.525635  
1 1 1 -10 12  25 o 104.322 3.1482  5918.54    355.718  6170.69    724.616  5838.48    408.302  105.661 6.3614  103.541 3.6408  2.119766       7.329580  
1 1 1 -10 12  26 o 37.922  5.4175  806.122    216.190  160.978    444.023  1006.58    247.509  25.104  10.272  42.431  5.5160  -17.32740      11.65902  
1 1 1 -10 12  27 o 57.347  2.3470  1787.47    145.782  1488.81    484.901  1817.14    152.853  50.365  9.2291  57.813  2.4411  -7.447250      9.546434  
1 1 1 -10 12  28 o 18.700  7.4144  116.714    223.561  -84.7479   415.635  198.727    265.190  20.904  9.2601  21.552  8.2040  -0.6480179     12.37154  
1 1 1 -10 12  29 o 25.629  7.3972  384.548    216.753  70.300     436.202  487.583    249.772  23.114  9.8645  28.661  7.8259  -5.547050      12.59178  
1 1 1 -10 12  30 o 48.324  1.5124  1268.20    79.157   1358.68    83.042   368.507    261.873  50.016  1.5329  25.252  8.2874  24.76475       8.427967  
1 1 1 -10 12  31 o 28.651  7.2001  495.227    223.169  569.886    450.588  470.960    256.890  30.579  10.850  27.809  8.0607  2.769835       13.51632  
1 1 1 -10 12  32 o 35.729  2.1218  699.851    81.741   683.320    85.781   863.043    269.526  35.275  2.2570  37.780  6.8384  -2.505211      7.201238  
1 1 1 -10 12  33 o 16.668  7.6096  -85.6065   305.566  0.0000     0.0000   -85.6065   305.566  ?       ?       16.668  7.6096  0.000000       7.609584  
1 1 1 -10 12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 13  1  o 116.426 3.3294  7342.11    419.840  7158.77    720.708  7436.29    516.533  114.795 5.8155  117.165 4.0703  -2.370384      7.098394  
1 1 1 -10 13  2  o 624.394 11.878  211616.70  8033.19  196708.30  13914.30 219070.20  9838.47  600.462 21.395  634.969 14.306  -34.50629      25.73675  
1 1 1 -10 13  3  o 702.485 15.710  268329.31  11952.96 242780.30  16900.32 293900.91  16907.75 666.568 23.409  733.966 21.269  -67.39789      31.62800  
1 1 1 -10 13  4  o 770.797 14.794  322927.81  12351.00 330999.31  15126.27 306781.41  21394.14 779.709 17.911  748.310 26.396  31.39935       31.89956  
1 1 1 -10 13  5  o 130.294 2.9304  9195.00    413.546  9188.70    476.695  9214.19    831.432  130.246 3.3791  130.400 5.8868  -0.1545258     6.787687  
1 1 1 -10 13  6  o 356.196 6.0258  68754.55   2324.73  67896.77   2684.00  71330.70   4651.38  353.927 7.0016  362.469 11.848  -8.542236      13.76210  
1 1 1 -10 13  7  o 116.579 3.3060  7361.54    417.434  7552.26    509.384  6971.58    728.382  118.074 3.9831  113.266 5.9583  4.807907       7.167016  
1 1 1 -10 13  8  o 320.425 6.4518  55650.14   2239.13  55650.14   2239.13  0.0000     0.0000   320.425 6.4518  ?       ?       0.000000       6.451826  
1 1 1 -10 13  9  o 393.435 6.6912  83915.97   2851.32  81870.38   3292.25  90055.20   5703.50  388.535 7.8233  406.987 12.939  -18.45114      15.12002  
1 1 1 -10 13  10 o 145.615 3.2185  11486.15   507.609  11258.22   586.161  12169.70   1015.09  144.155 3.7542  149.825 6.2553  -5.669952      7.295413  
1 1 1 -10 13  11 f 494.635 9.5089  132886.70  5094.29  134812.30  6240.50  129040.20  8819.95  497.856 11.573  485.930 16.758  11.92563       20.36575  
1 1 1 -10 13  12 o 478.066 8.0806  124081.40  4184.12  122713.80  5918.12  125448.30  5916.36  474.813 11.508  480.102 11.378  -5.288422      16.18266  
1 1 1 -10 13  13 o 117.162 3.0251  7436.94    383.881  7147.07    542.094  7728.52    543.689  114.830 4.3586  119.413 4.2037  -4.583298      6.055459  
1 1 1 -10 13  14 o 345.780 5.9685  64874.80   2235.31  64301.66   4468.36  65066.11   2581.54  343.244 12.019  346.180 6.8851  -2.936066      13.85153  
1 1 1 -10 13  15 o 318.396 5.5774  55004.38   1923.40  51487.63   3844.90  56178.18   2221.32  307.095 11.560  321.682 6.3755  -14.58768      13.20119  
1 1 1 -10 13  16 o 255.604 4.6383  35434.50   1284.08  36553.84   2566.77  35060.84   1483.00  259.048 9.1482  254.186 5.3867  4.862137       10.61632  
1 1 1 -10 13  17 o 226.324 4.2360  27778.23   1038.39  26878.91   2071.01  28080.23   1200.14  222.147 8.6074  227.500 4.8706  -5.352615      9.889900  
1 1 1 -10 13  18 o 359.575 6.1891  70249.72   2410.40  72575.58   4818.18  69473.30   2783.80  363.753 12.229  357.378 7.1919  6.375336       14.18738  
1 1 1 -10 13  19 o 227.465 4.2867  28069.41   1056.10  28734.13   2105.06  27845.83   1220.86  229.559 8.4664  226.488 4.9768  3.070328       9.820847  
1 1 1 -10 13  20 o 54.596  3.5642  1623.37    209.606  1171.41    383.978  1815.22    250.168  45.682  8.0550  57.703  4.0281  -12.02133      9.005983  
1 1 1 -10 13  21 o 33.726  2.2114  619.036    80.335   863.917    339.542  604.515    82.682   39.037  8.2869  33.319  2.3053  5.717548       8.601527  
1 1 1 -10 13  22 o 107.748 2.9110  6296.17    339.716  5367.26    617.855  6698.68    406.712  99.109  5.7809  111.111 3.3796  -12.00233      6.696267  
1 1 1 -10 13  23 o 199.436 4.0698  21622.02   879.109  20666.57   1644.54  22004.28   1040.21  193.992 7.8269  201.048 4.7769  -7.056015      9.169497  
1 1 1 -10 13  24 f 91.902  2.8287  4585.45    281.561  4577.41    586.592  4587.85    320.952  91.236  5.9689  91.891  3.2248  -0.6544952     6.784348  
1 1 1 -10 13  25 o 99.645  3.1255  5399.69    337.318  6054.90    640.878  5148.62    396.716  104.871 5.6632  97.208  3.7680  7.662521       6.802188  
1 1 1 -10 13  26 o 30.474  6.6973  534.236    215.026  612.745    426.828  507.534    248.920  32.853  10.566  29.600  7.6935  3.253317       13.07012  
1 1 1 -10 13  27 o 62.310  2.6612  2112.54    179.602  2267.46    515.985  2091.19    191.583  63.054  7.7164  61.972  2.8542  1.081432       8.227362  
1 1 1 -10 13  28 o 67.899  3.7028  2531.67    271.280  2371.90    533.385  2587.42    315.074  64.203  7.8328  68.491  4.2685  -4.288475      8.920326  
1 1 1 -10 13  29 o 98.834  2.8514  5333.19    305.232  5728.14    698.667  5240.04    339.327  100.586 6.4470  97.864  3.2013  2.721863       7.198049  
1 1 1 -10 13  30 o 65.661  2.6578  2355.24    189.014  2470.58    238.744  2161.54    309.400  67.097  3.2852  62.202  4.6256  4.894833       5.673483  
1 1 1 -10 13  31 o 18.219  7.2567  120.233    215.058  298.772    437.061  63.196     247.032  25.801  10.322  17.957  7.5318  7.843697       12.77795  
1 1 1 -10 13  32 o 22.087  1.9027  268.033    45.074   263.654    45.783   406.028    257.013  21.896  1.9509  25.576  8.1962  -3.679241      8.425170  
1 1 1 -10 13  33 o 14.413  6.8679  -276.9848  296.269  0.0000     0.0000   -276.9848  296.269  ?       ?       14.413  6.8679  0.000000       6.867900  
1 1 1 -10 13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 14  1  o 437.988 7.3791  103980.10  3500.55  103299.20  4950.27  104661.10  4950.79  436.355 10.474  439.227 10.407  -2.872131      14.76510  
1 1 1 -10 14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 14  3  o 341.886 5.6779  63333.61   2102.51  61260.25   2426.80  69573.69   4210.09  336.209 6.6643  358.079 10.855  -21.87003      12.73776  
1 1 1 -10 14  4  o 167.756 3.5394  15243.59   643.103  15250.10   707.285  15212.50   1545.04  167.788 3.8919  167.281 8.5562  0.5072327      9.399747  
1 1 1 -10 14  5  o 333.388 5.8065  60227.46   2096.70  60940.79   2420.77  58085.36   4194.94  335.325 6.6653  327.102 11.841  8.222778       13.58766  
1 1 1 -10 14  6  o 594.001 11.308  191526.00  7275.40  186685.59  8909.47  201213.50  12604.27 586.079 14.035  607.518 19.155  -21.43909      23.74697  
1 1 1 -10 14  7  o 289.354 5.9115  45372.45   1852.68  43703.73   2267.70  48721.83   3212.76  283.929 7.3740  299.660 9.8987  -15.73114      12.34345  
1 1 1 -10 14  8  o 131.672 3.6421  9391.77    519.413  9391.77    519.413  0.0000     0.0000   131.672 3.6421  ?       ?       0.000000       3.642087  
1 1 1 -10 14  9  o 273.469 4.9035  40523.74   1452.39  39358.46   1677.29  44015.92   2903.64  269.479 5.7466  284.786 9.4136  -15.30707      11.02900  
1 1 1 -10 14  10 o 359.993 6.1474  70257.85   2396.94  68883.67   2767.82  74379.51   4793.49  356.386 7.1705  369.849 11.966  -13.46262      13.95015  
1 1 1 -10 14  11 o 337.319 6.7381  61713.09   2461.79  62330.41   4270.65  61405.88   3012.70  338.496 11.648  336.351 8.2698  2.145538       14.28553  
1 1 1 -10 14  12 o 203.504 3.9224  22441.47   864.566  22897.89   1224.28  21987.44   1221.08  205.503 5.5004  201.372 5.5986  4.131317       7.848452  
1 1 1 -10 14  13 o 134.800 3.1214  9845.12    455.739  9951.05    647.207  9740.93    641.850  135.492 4.4102  134.054 4.4206  1.438416       6.244332  
1 1 1 -10 14  14 o 341.590 5.9222  63311.64   2191.06  67060.12   4381.91  62061.98   2530.07  350.620 11.539  338.086 6.9093  12.53470       13.44915  
1 1 1 -10 14  15 o 89.453  2.8738  4335.65    278.436  4111.81    551.798  4412.11    322.504  86.843  5.9015  90.231  3.3000  -3.388222      6.761434  
1 1 1 -10 14  16 o 320.605 5.6143  55788.36   1949.57  54274.57   3897.54  56293.50   2251.48  315.132 11.419  321.938 6.4569  -6.805817      13.11813  
1 1 1 -10 14  17 o 146.773 3.2853  11676.11   522.258  11518.53   1042.22  11728.94   603.495  145.592 6.6093  147.084 3.7882  -1.492035      7.617937  
1 1 1 -10 14  18 o 274.543 4.9461  40905.02   1470.78  38978.40   2936.20  41550.36   1699.34  267.096 10.150  276.608 5.6721  -9.511719      11.62700  
1 1 1 -10 14  19 o 221.384 4.3348  26590.12   1039.41  23580.09   1947.22  27789.52   1229.17  207.916 8.6468  226.252 5.0159  -18.33595      9.996355  
1 1 1 -10 14  20 o 257.831 4.7111  36091.33   1315.60  36490.84   2622.00  35956.91   1520.91  258.295 9.3723  257.239 5.4588  1.055573       10.84614  
1 1 1 -10 14  21 f 91.367  3.0602  4526.56    302.833  4589.01    583.972  4503.59    354.178  91.649  5.9145  91.113  3.5890  0.5354462      6.918262  
1 1 1 -10 14  22 o 99.703  2.9036  5391.23    313.558  5868.82    636.169  5237.98    360.372  103.660 5.6879  98.250  3.3865  5.409195       6.619732  
1 1 1 -10 14  23 o 129.654 3.2436  9126.03    455.490  9174.92    888.692  9108.61    530.463  129.552 6.3334  129.473 3.7828  0.7981873E-01  7.377060  
1 1 1 -10 14  24 o 16.011  6.3359  77.262     162.962  -169.2921  319.227  164.159    189.517  17.427  7.8861  19.163  7.0054  -1.735830      10.54824  
1 1 1 -10 14  25 o 205.221 3.9878  22966.28   886.391  25126.85   1777.86  22251.56   1022.54  212.654 7.7189  201.741 4.6797  10.91277       9.026663  
1 1 1 -10 14  26 o 65.168  2.7368  2309.26    193.175  2267.40    247.156  2374.99    309.680  64.389  3.5578  65.742  4.3741  -1.353134      5.638295  
1 1 1 -10 14  27 o 61.604  2.4867  2063.86    165.920  1754.40    503.646  2101.53    175.729  54.934  8.7590  62.151  2.6105  -7.217289      9.139709  
1 1 1 -10 14  28 o 42.790  2.2768  998.568    105.142  963.541    114.954  1177.89    260.096  41.995  2.5393  45.818  5.3414  -3.823425      5.914258  
1 1 1 -10 14  29 o 44.285  2.0481  1066.59    98.237   961.283    471.263  1071.37    100.443  39.182  10.771  44.380  2.0896  -5.197655      10.97157  
1 1 1 -10 14  30 o 49.921  2.3122  1358.59    125.018  1370.58    139.612  1310.07    280.858  50.034  2.5851  48.009  5.5005  2.024738       6.077647  
1 1 1 -10 14  31 o 50.858  4.5340  1453.58    247.131  1070.27    496.641  1579.72    284.909  40.198  11.060  52.813  5.0420  -12.61489      12.15493  
1 1 1 -10 14  32 o 34.757  1.2883  656.455    48.499   773.210    69.204   543.766    67.988   37.675  1.6959  31.496  2.0034  6.179043       2.624879  
1 1 1 -10 14  33 o 21.245  8.6622  218.366    314.389  0.0000     0.0000   218.366    314.389  ?       ?       21.245  8.6622  0.000000       8.662232  
1 1 1 -10 14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 15  1  o 486.179 8.0292  128142.90  4228.04  133562.09  5979.35  122723.60  5979.36  496.111 11.128  475.512 11.610  20.59833       16.08141  
1 1 1 -10 15  2  o 216.260 4.0788  25334.49   955.378  25090.79   1101.96  26072.09   1917.11  215.207 4.7276  219.298 8.0713  -4.090378      9.353935  
1 1 1 -10 15  3  f 151.535 3.1954  12437.62   524.446  12235.57   604.082  13055.98   1056.78  150.294 3.7109  155.218 6.2860  -4.923569      7.299640  
1 1 1 -10 15  4  o 381.869 6.5693  79029.54   2717.10  79487.76   3136.78  77652.55   5437.63  382.929 7.5630  378.099 13.278  4.830231       15.28091  
1 1 1 -10 15  5  o 313.061 5.4210  53103.70   1838.15  52018.44   2121.96  56366.18   3679.12  309.817 6.3236  322.302 10.539  -12.48514      12.29082  
1 1 1 -10 15  6  o 703.167 13.273  268642.09  10108.65 260509.91  12379.22 284916.81  17512.34 691.824 16.521  721.985 22.395  -30.16125      27.82905  
1 1 1 -10 15  7  o 601.850 14.142  196937.09  9218.48  196937.09  9218.48  0.0000     0.0000   601.850 14.142  ?       ?       0.000000       14.14169  
1 1 1 -10 15  8  o 584.045 11.210  185233.20  7090.99  185233.20  7090.99  0.0000     0.0000   584.045 11.210  ?       ?       0.000000       11.20960  
1 1 1 -10 15  9  o 689.313 11.372  258152.80  8490.05  254932.91  9803.29  267814.09  16981.02 684.612 13.221  698.840 22.434  -14.22766      26.04025  
1 1 1 -10 15  10 o 375.025 6.4336  76258.02   2613.26  74725.13   3696.66  77789.34   3694.77  371.003 9.1994  378.552 9.0114  -7.549164      12.87769  
1 1 1 -10 15  11 o 357.101 7.0849  69177.23   2740.30  67207.38   4748.88  70160.58   3355.27  351.350 12.479  359.483 8.6174  -8.132721      15.16531  
1 1 1 -10 15  12 o 195.626 4.4371  20741.50   940.155  20538.48   1153.63  21142.98   1622.28  194.626 5.4726  197.359 7.5892  -2.733017      9.356620  
1 1 1 -10 15  13 o 127.337 3.0833  8785.14    425.246  8687.57    600.835  8883.08    601.942  126.598 4.3818  128.016 4.3413  -1.417725      6.168265  
1 1 1 -10 15  14 o 230.676 4.9142  28855.28   1227.78  27259.29   2122.78  29657.57   1505.07  223.881 8.7542  233.789 5.9438  -9.907379      10.58135  
1 1 1 -10 15  15 o 106.240 2.9582  6115.85    340.404  5753.76    669.190  6242.25    395.379  102.782 6.0377  107.323 3.4013  -4.541237      6.929893  
1 1 1 -10 15  16 o 260.601 4.7121  36836.44   1330.03  36612.29   2659.07  36911.23   1535.98  259.187 9.4721  260.798 5.4377  -1.610168      10.92193  
1 1 1 -10 15  17 o 170.488 3.4547  15755.61   637.933  15305.67   1263.09  15909.69   739.131  167.795 6.9500  171.293 3.9839  -3.497498      8.010863  
1 1 1 -10 15  18 o 218.135 4.1281  25806.73   975.308  25713.02   1944.16  25838.24   1127.44  217.255 8.2621  218.214 4.7702  -0.9582825     9.540334  
1 1 1 -10 15  19 o 180.455 3.8181  17660.17   746.262  16802.47   1782.15  17842.54   821.779  175.137 9.4297  181.358 4.1836  -6.221268      10.31612  
1 1 1 -10 15  20 o 281.917 5.0396  43166.16   1538.83  41253.42   3072.04  43806.87   1777.98  274.328 10.339  283.871 5.7828  -9.543488      11.84647  
1 1 1 -10 15  21 o 241.017 4.4509  31544.14   1161.90  30881.30   2312.38  31768.02   1343.87  237.479 8.9901  241.763 5.1321  -4.283295      10.35183  
1 1 1 -10 15  22 o 263.573 4.9744  37785.52   1420.08  32918.02   3751.21  38599.78   1534.27  241.807 14.388  266.315 5.3191  -24.50841      15.33967  
1 1 1 -10 15  23 o 167.362 3.5082  15213.77   635.938  15350.76   1268.34  15167.76   735.003  167.380 6.9962  167.024 4.0629  0.3551636      8.090387  
1 1 1 -10 15  24 o 75.400  3.1114  3088.62    254.097  2958.67    502.910  3133.17    294.445  73.151  6.4122  75.902  3.5816  -2.751541      7.344688  
1 1 1 -10 15  25 o 90.324  3.1691  4437.89    310.031  5483.02    642.038  4120.08    354.045  99.665  5.9752  86.951  3.7593  12.71390       7.059462  
1 1 1 -10 15  26 o 80.396  3.3678  3522.03    293.254  3442.16    590.730  3548.15    337.820  78.382  7.0331  80.614  3.8691  -2.231735      8.027108  
1 1 1 -10 15  27 o 40.081  5.1778  899.832    219.524  540.622    449.753  1012.17    251.520  31.351  10.861  42.431  5.6105  -11.08094      12.22434  
1 1 1 -10 15  28 o 109.778 3.2420  6582.86    385.470  7397.63    775.539  6315.53    444.228  114.883 6.2563  107.346 3.8207  7.536797       7.330708  
1 1 1 -10 15  29 o 127.553 3.3965  8915.68    469.233  9331.19    927.169  8772.61    544.052  128.181 6.7015  126.250 3.9787  1.931450       7.793623  
1 1 1 -10 15  30 o 89.533  2.9879  4389.97    289.743  4583.35    451.303  4254.37    377.913  90.682  4.6101  87.764  3.9756  2.918495       6.087584  
1 1 1 -10 15  31 o 24.016  1.4848  314.576    38.435   777.963    442.780  311.058    38.580   34.557  10.717  23.879  1.4993  10.67747       10.82095  
1 1 1 -10 15  32 o ?       ?       -124.2170  32.214   -131.8472  32.481   333.532    251.579  ?       ?       23.594  8.1258  0.000000       8.125812  
1 1 1 -10 15  33 o 25.365  9.1465  427.363    321.483  0.0000     0.0000   427.363    321.483  ?       ?       25.365  9.1465  0.000000       9.146537  
1 1 1 -10 15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 16  1  o 180.942 3.2540  17733.47   637.709  17763.71   822.373  17687.85   1009.98  181.085 4.1929  180.684 5.1608  0.4007416      6.649423  
1 1 1 -10 16  2  o 211.072 4.3191  24134.48   987.412  24387.48   1071.84  22715.63   2538.28  212.170 4.6642  204.256 11.520  7.914276       12.42884  
1 1 1 -10 16  3  o 487.724 9.2520  129008.30  4887.41  129008.30  4887.41  0.0000     0.0000   487.724 9.2520  ?       ?       0.000000       9.251966  
1 1 1 -10 16  4  o 662.845 10.841  238423.41  7782.82  239044.00  8986.23  236560.70  15568.70 663.484 12.505  658.206 21.838  5.277649       25.16513  
1 1 1 -10 16  5  o 568.372 10.930  175322.30  6728.76  176521.30  8239.93  172922.50  11657.60 570.012 13.347  563.228 19.110  6.784058       23.30909  
1 1 1 -10 16  6  o 422.082 8.1519  96600.30   3726.69  92811.06   4562.45  104196.70  6459.91  413.576 10.185  437.872 13.621  -24.29688      17.00798  
1 1 1 -10 16  7  o 476.662 9.2024  123254.60  4750.96  123254.60  4750.96  0.0000     0.0000   476.662 9.2024  ?       ?       0.000000       9.202405  
1 1 1 -10 16  8  o 187.510 4.3050  19048.97   874.311  19048.97   874.311  0.0000     0.0000   187.510 4.3050  ?       ?       0.000000       4.304971  
1 1 1 -10 16  9  o 352.852 5.4640  67477.90   2088.21  63436.11   2695.84  73540.91   3301.80  342.019 7.2773  368.179 8.2798  -26.15994      11.02340  
1 1 1 -10 16  10 o 111.583 2.9005  6744.44    350.539  6917.31    498.657  6575.57    492.869  112.990 4.0747  110.163 4.1307  2.827202       5.802218  
1 1 1 -10 16  11 o 172.243 4.0160  16075.58   749.209  18043.17   1316.02  15132.10   911.302  182.389 6.6618  167.085 5.0356  15.30453       8.350904  
1 1 1 -10 16  12 o 144.551 3.7197  11322.26   582.368  11176.25   714.425  11611.43   1005.40  143.594 4.5936  146.305 6.3447  -2.710663      7.832968  
1 1 1 -10 16  13 o 300.275 5.3151  48896.99   1728.63  48407.03   2445.55  49386.24   2443.76  298.554 7.5628  301.568 7.4818  -3.013611      10.63829  
1 1 1 -10 16  14 o 147.259 3.2392  11750.62   516.642  12111.40   734.220  11396.79   727.117  149.460 4.5355  144.981 4.6305  4.479889       6.481695  
1 1 1 -10 16  15 o 423.673 7.1919  97529.09   3300.24  92719.79   6599.52  99132.81   3810.97  410.903 14.829  426.922 8.2417  -16.01953      16.96512  
1 1 1 -10 16  16 o 251.114 4.5541  34200.19   1238.64  32254.30   2472.50  34852.17   1431.18  243.281 9.3834  253.438 5.2138  -10.15739      10.73456  
1 1 1 -10 16  17 o 131.777 3.1241  9411.45    445.896  9526.36    865.652  9369.95    520.220  132.439 6.0347  131.467 3.6534  0.9713440      7.054466  
1 1 1 -10 16  18 o 277.180 5.2592  41707.71   1578.88  39438.81   4225.54  42075.89   1702.18  266.974 14.669  278.349 5.6460  -11.37549      15.71841  
1 1 1 -10 16  19 o 128.415 3.1324  8939.09    435.676  8657.34    856.605  9037.41    506.013  126.192 6.2673  129.098 3.6188  -2.906776      7.237053  
1 1 1 -10 16  20 o 207.222 4.0033  23297.73   898.512  21719.78   1788.26  23830.63   1039.22  199.480 8.2768  209.519 4.5794  -10.03914      9.459182  
1 1 1 -10 16  21 o 135.814 3.2264  10003.82   474.605  9835.75    934.372  10062.26   550.975  134.379 6.4197  136.177 3.7356  -1.797485      7.427489  
1 1 1 -10 16  22 o 105.428 3.1034  6029.75    354.380  6308.69    694.394  5931.51    412.083  107.422 5.9921  104.531 3.6397  2.890472       7.010877  
1 1 1 -10 16  23 o 35.374  1.5620  678.062    59.844   696.173    62.466   475.781    208.760  35.843  1.6091  28.906  6.7844  6.936573       6.972558  
1 1 1 -10 16  24 o 59.846  2.5508  1943.85    165.341  2388.84    439.451  1870.47    178.454  65.698  6.2511  58.692  2.8072  7.006500       6.852460  
1 1 1 -10 16  25 o 177.383 3.9001  17156.47   749.314  19648.86   1768.69  16611.28   827.217  187.303 8.7184  174.387 4.3796  12.91583       9.756614  
1 1 1 -10 16  26 o 176.450 3.7170  16989.81   710.362  17031.56   1421.60  16975.92   820.087  174.634 7.5159  176.153 4.2983  -1.519012      8.658197  
1 1 1 -10 16  27 o 88.541  2.9212  4270.75    280.142  3990.36    441.744  4459.38    362.319  85.026  4.8166  90.314  3.7040  -5.287849      6.076073  
1 1 1 -10 16  28 o 99.988  3.2472  5461.70    351.663  6414.25    712.021  5154.37    404.432  106.989 6.1706  96.963  3.8510  10.02599       7.273698  
1 1 1 -10 16  29 o 27.326  7.3459  441.838    222.108  808.096    442.719  318.646    256.758  36.042  10.621  24.064  8.2115  11.97819       13.42492  
1 1 1 -10 16  30 o 17.666  7.1543  94.043     212.750  483.747    428.619  -33.3584   245.071  29.124  10.552  16.345  7.1810  12.77849       12.76377  
1 1 1 -10 16  31 o 22.631  1.2626  278.888    30.825   223.846    432.866  279.168    30.903   24.531  10.102  22.642  1.2652  1.889606       10.18047  
1 1 1 -10 16  32 o 23.268  1.4719  295.712    36.903   298.080    37.305   187.654    251.997  23.360  1.4821  20.152  7.9092  3.207966       8.046843  
1 1 1 -10 16  33 o 22.503  8.8775  286.352    319.018  0.0000     0.0000   286.352    319.018  ?       ?       22.503  8.8775  0.000000       8.877529  
1 1 1 -10 16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 17  1  o 285.284 5.9022  44101.15   1823.74  44101.15   1823.74  0.0000     0.0000   285.284 5.9022  ?       ?       0.000000       5.902232  
1 1 1 -10 17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 17  3  o 821.871 27.252  370477.81  24258.95 370477.81  24258.95 0.0000     0.0000   821.871 27.252  ?       ?       0.000000       27.25198  
1 1 1 -10 17  4  o 116.526 2.9063  7354.44    366.806  7369.85    419.513  7304.39    755.871  116.645 3.3205  115.943 6.0400  0.7025909      6.892603  
1 1 1 -10 17  5  o 485.548 9.2996  127876.80  4890.66  124992.50  5987.93  133656.30  8476.20  479.838 11.522  495.662 15.789  -15.82388      19.54555  
1 1 1 -10 17  6  o 212.795 5.6818  24537.60   1309.55  24537.60   1309.55  0.0000     0.0000   212.795 5.6818  ?       ?       0.000000       5.681843  
1 1 1 -10 17  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 17  8  o 386.987 7.0442  81195.85   2952.57  81194.45   3161.67  81205.48   8255.94  386.951 7.5438  384.975 19.868  1.976685       21.25167  
1 1 1 -10 17  9  o 677.349 11.021  249274.30  8085.40  244771.80  11434.44 253776.80  11434.53 670.070 15.755  682.365 15.471  -12.29486      22.08150  
1 1 1 -10 17  10 o 290.880 5.0820  45857.96   1601.09  44855.66   2264.96  46859.07   2263.60  287.563 7.2721  293.926 7.1104  -6.362213      10.17056  
1 1 1 -10 17  11 o 81.923  3.2957  3635.99    292.434  3110.93    519.101  3880.10    353.942  75.465  6.4116  84.622  3.8617  -9.156929      7.484737  
1 1 1 -10 17  12 o 208.690 4.5955  23606.75   1038.74  23767.35   1272.90  23286.63   1797.15  209.352 5.6136  207.079 8.0127  2.272720       9.783436  
1 1 1 -10 17  13 o 382.804 7.0473  79557.39   2921.92  78542.67   4516.96  80287.52   3831.55  379.677 10.984  384.217 9.2072  -4.540009      14.33253  
1 1 1 -10 17  14 o 173.530 3.5392  16319.14   665.191  16301.72   943.673  16336.35   937.798  173.374 5.0254  173.560 4.9887  -0.1858368     7.081076  
1 1 1 -10 17  15 o 349.374 6.0462  66259.90   2287.95  70288.22   4573.83  64915.52   2642.29  358.653 11.774  345.663 7.0576  12.99017       13.72750  
1 1 1 -10 17  16 o 378.600 6.4936  77862.66   2662.78  84060.01   5324.35  75795.64   3074.94  391.746 12.549  373.329 7.6046  18.41681       14.67293  
1 1 1 -10 17  17 o 224.257 4.2161  27273.98   1024.06  27331.90   2043.46  27254.56   1183.38  224.018 8.4219  224.123 4.8749  -0.1044159     9.731061  
1 1 1 -10 17  18 o 350.942 6.0389  66912.77   2295.42  61728.34   4586.94  68644.83   2651.27  335.259 12.632  355.283 6.8899  -20.02414      14.38881  
1 1 1 -10 17  19 o 269.258 4.8327  39354.23   1409.39  35744.95   2812.82  40564.14   1628.58  255.595 10.161  273.271 5.5023  -17.67601      11.55482  
1 1 1 -10 17  20 o 315.534 5.8637  54133.76   2003.95  51655.45   3722.70  55144.91   2377.87  306.609 11.210  318.224 6.8990  -11.61511      13.16278  
1 1 1 -10 17  21 o 108.376 3.0464  6369.16    357.598  6548.49    712.633  6308.81    413.416  109.517 6.0310  107.837 3.5396  1.680244       6.992993  
1 1 1 -10 17  22 o 20.833  6.3155  238.010    154.867  321.104    249.955  186.238    197.299  24.699  8.0962  20.032  7.1718  4.667250       10.81581  
1 1 1 -10 17  23 o 159.808 3.4982  13873.30   605.503  14678.66   1201.46  13599.11   701.041  163.687 6.7768  158.131 4.0931  5.555969       7.916996  
1 1 1 -10 17  24 o 208.394 4.0263  23650.80   908.774  23541.21   1809.38  23687.78   1050.95  206.159 8.1032  208.360 4.6569  -2.200745      9.346032  
1 1 1 -10 17  25 o 68.670  3.4122  2567.30    253.787  3335.45    535.889  2345.21    288.149  77.496  6.4429  65.433  4.0863  12.06290       7.629463  
1 1 1 -10 17  26 o 137.305 3.3579  10274.09   499.372  10738.71   1001.88  10120.50   576.027  139.106 6.6496  136.124 3.9070  2.982391       7.712465  
1 1 1 -10 17  27 o 65.868  2.6253  2360.95    187.291  2454.47    236.618  2204.07    306.469  67.072  3.2571  63.192  4.5073  3.880341       5.560964  
1 1 1 -10 17  28 o 94.670  3.2677  4897.34    335.060  5859.52    681.012  4590.04    384.864  102.216 6.1803  91.484  3.8841  10.73285       7.299509  
1 1 1 -10 17  29 o 114.014 3.2643  7118.98    403.099  7352.00    743.188  7021.85    479.809  114.201 6.0298  112.955 3.9219  1.246193       7.192988  
1 1 1 -10 17  30 o 23.419  7.5106  316.576    215.783  201.534    439.862  353.036    247.627  24.625  10.166  24.685  8.0568  -0.5932045E-01 12.97164  
1 1 1 -10 17  31 o 15.932  6.8381  14.540     211.758  27.960     430.759  10.263     243.169  21.864  9.5652  16.872  7.2852  4.992947       12.02361  
1 1 1 -10 17  32 o 4.8052  2.2451  -27.8990   28.936   -29.6659   29.134   100.453    248.306  4.7698  2.2364  18.302  7.6037  -13.53258      7.925783  
1 1 1 -10 17  33 o 52.003  6.7735  1676.64    372.457  0.0000     0.0000   1676.64    372.457  ?       ?       52.003  6.7735  0.000000       6.773498  
1 1 1 -10 17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 18  1  o 534.087 9.9914  154741.80  5779.77  151855.41  7077.54  160520.50  10014.27 528.843 12.356  543.084 17.025  -14.24133      21.03615  
1 1 1 -10 18  2  o 496.331 9.3060  133607.59  5002.67  133607.59  5002.67  0.0000     0.0000   496.331 9.3060  ?       ?       0.000000       9.305953  
1 1 1 -10 18  3  o 164.260 3.4136  14614.79   607.318  14733.45   699.802  14252.75   1222.36  164.920 3.9177  162.161 6.9596  2.759674       7.986513  
1 1 1 -10 18  4  o 211.784 4.3869  24298.29   1006.28  21996.86   1228.30  28995.51   1754.79  201.482 5.6285  231.288 7.0049  -29.80620      8.986048  
1 1 1 -10 18  5  o 488.407 9.1584  129385.00  4844.77  123316.20  5931.39  141549.80  8397.66  476.601 11.490  510.152 15.198  -33.55069      19.05278  
1 1 1 -10 18  6  o 562.866 10.689  171959.50  6516.35  171959.50  6516.35  0.0000     0.0000   562.866 10.689  ?       ?       0.000000       10.68882  
1 1 1 -10 18  7  o 415.597 8.1153  93668.89   3652.99  93668.89   3652.99  0.0000     0.0000   415.597 8.1153  ?       ?       0.000000       8.115338  
1 1 1 -10 18  8  f 621.304 10.142  209566.91  6824.66  212119.20  9651.44  207014.50  9651.60  624.320 14.273  616.724 14.449  7.595276       20.30991  
1 1 1 -10 18  9  f 287.268 5.3778  44726.38   1673.27  45899.58   2208.13  43144.14   2564.33  290.930 7.0076  281.978 8.3963  8.951385       10.93636  
1 1 1 -10 18  10 o 131.129 2.9857  9314.54    424.054  9320.57    602.277  9308.61    597.162  131.152 4.2398  131.069 4.2065  0.8358765E-01  5.972518  
1 1 1 -10 18  11 o 310.136 6.2853  52165.58   2111.28  49650.48   3659.47  53420.43   2584.85  302.086 11.185  313.737 7.6068  -11.65042      13.52613  
1 1 1 -10 18  12 o 100.344 3.3510  5455.51    364.193  4928.01    451.074  6443.29    617.259  95.353  4.3676  109.011 5.2279  -13.65867      6.812245  
1 1 1 -10 18  13 o 121.466 2.9911  7993.80    393.510  8072.35    559.937  7917.14    553.140  122.034 4.2363  120.855 4.2257  1.178604       5.983571  
1 1 1 -10 18  14 o 201.415 3.9216  21989.27   855.521  21072.10   1211.03  22902.98   1208.75  197.074 5.6736  205.473 5.4314  -8.399185      7.854265  
1 1 1 -10 18  15 o 164.913 3.4209  14739.52   611.033  14642.24   1220.74  14772.04   705.816  164.175 6.8651  165.073 3.9477  -0.8978882     7.919188  
1 1 1 -10 18  16 o 271.478 4.8784  39982.73   1434.44  40660.98   2865.82  39756.01   1656.93  273.068 9.6897  270.626 5.6528  2.441254       11.21801  
1 1 1 -10 18  17 o 381.178 6.8931  78987.81   2845.84  71750.10   7932.13  80057.07   3048.81  357.398 20.578  383.652 7.3371  -26.25412      21.84705  
1 1 1 -10 18  18 o 89.973  2.9598  4387.37    288.430  4183.72    557.921  4461.65    336.950  87.560  5.9177  90.719  3.4292  -3.159599      6.839514  
1 1 1 -10 18  19 o 153.824 3.3919  12829.07   565.109  11097.03   1265.67  13260.34   631.557  142.422 8.2401  156.369 3.7290  -13.94649      9.044581  
1 1 1 -10 18  20 o 197.534 3.8931  21168.85   832.920  22874.46   1665.35  20599.87   961.867  204.843 7.5061  194.797 4.5589  10.04617       8.782117  
1 1 1 -10 18  21 o 103.130 2.9041  5766.93    324.394  5602.09    583.964  5840.50    390.124  101.360 5.3381  103.759 3.4714  -2.399315      6.367548  
1 1 1 -10 18  22 o 78.354  3.1004  3330.80    263.115  3846.19    523.773  3156.85    304.297  83.811  5.8057  76.252  3.6845  7.558914       6.876193  
1 1 1 -10 18  23 o 57.820  3.4491  1822.52    215.021  1490.02    426.477  1935.85    248.983  51.472  7.9024  59.547  3.8817  -8.074745      8.804316  
1 1 1 -10 18  24 o 38.589  4.6026  823.745    188.572  695.932    358.340  872.696    221.762  34.717  9.3298  39.604  5.3029  -4.887360      10.73152  
1 1 1 -10 18  25 o 101.194 3.0830  5570.09    337.909  6420.83    696.938  5308.64    386.359  107.833 5.9908  98.709  3.6138  9.123573       6.996407  
1 1 1 -10 18  26 o 64.090  2.6258  2233.15    182.275  2226.99    232.463  2242.99    293.693  63.833  3.3743  63.889  4.2688  -0.5538940E-01 5.441386  
1 1 1 -10 18  27 f 23.362  7.4234  304.023    211.174  620.486    422.587  198.694    243.797  32.689  10.513  21.136  7.9055  11.55316       13.15397  
1 1 1 -10 18  28 o 16.882  1.8884  156.739    33.939   327.937    426.873  155.650    34.046   26.960  10.374  16.821  1.9022  10.13911       10.54667  
1 1 1 -10 18  29 o 56.149  2.5984  1719.68    158.022  1654.67    186.696  1883.89    296.743  54.898  3.1531  58.103  4.7570  -3.205120      5.707150  
1 1 1 -10 18  30 o 67.807  2.8042  2515.31    205.942  2160.27    553.692  2572.31    221.860  59.773  8.8173  68.523  2.9893  -8.750607      9.310260  
1 1 1 -10 18  31 f 56.838  4.2188  1807.48    257.865  1916.83    518.540  1771.55    297.221  55.690  8.8962  55.930  4.9578  -0.2404671     10.18443  
1 1 1 -10 18  32 o 29.902  1.2429  485.900    40.255   494.812    40.766   137.524    254.875  30.175  1.2473  19.135  7.8003  11.03989       7.899408  
1 1 1 -10 18  33 o 21.462  8.7339  228.838    318.858  0.0000     0.0000   228.838    318.858  ?       ?       21.462  8.7339  0.000000       8.733949  
1 1 1 -10 18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 19  1  o 74.047  2.5388  2969.61    203.611  2908.60    231.352  3179.24    428.828  73.281  2.9148  76.424  5.2117  -3.143547      5.971455  
1 1 1 -10 19  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 19  3  o 868.910 28.845  414956.31  27146.37 0.0000     0.0000   414956.31  27146.37 ?       ?       868.910 28.845  0.000000       28.84474  
1 1 1 -10 19  4  o 541.090 10.370  158867.80  6077.25  157358.30  7441.17  161891.41  10531.48 538.240 12.764  545.164 17.836  -6.924011      21.93264  
1 1 1 -10 19  5  o 369.345 8.8657  73986.98   3546.64  73986.98   3546.64  0.0000     0.0000   369.345 8.8657  ?       ?       0.000000       8.865730  
1 1 1 -10 19  6  o 728.123 13.680  288199.19  10788.27 288199.19  10788.27 0.0000     0.0000   728.123 13.680  ?       ?       0.000000       13.67970  
1 1 1 -10 19  7  o 682.645 11.007  253043.20  8138.23  249324.30  9396.64  264205.31  16279.41 677.289 12.809  694.880 21.630  -17.59167      25.13846  
1 1 1 -10 19  8  o 365.441 6.1554  72391.72   2436.40  70641.42   3446.02  74141.13   3445.15  360.816 8.8178  369.663 8.6046  -8.846924      12.32045  
1 1 1 -10 19  9  o 297.156 5.1999  47857.13   1673.58  46374.63   2366.88  49339.45   2366.73  292.396 7.4737  301.613 7.2448  -9.216492      10.40880  
1 1 1 -10 19  10 o 65.488  2.7519  2323.11    195.192  2270.62    285.539  2369.16    267.437  64.604  4.1020  66.020  3.7556  -1.415901      5.561530  
1 1 1 -10 19  11 o 193.609 4.3527  20314.60   912.765  21156.87   1595.26  19904.64   1112.95  197.442 7.4597  191.609 5.3628  5.832993       9.187297  
1 1 1 -10 19  12 o 116.721 3.3875  7381.82    428.252  7145.75    524.566  7853.62    741.565  114.823 4.2179  120.336 5.6896  -5.513191      7.082578  
1 1 1 -10 19  13 o 128.225 3.0654  8908.48    425.734  8384.84    603.956  9425.67    600.219  124.365 4.4837  131.866 4.2025  -7.501564      6.145283  
1 1 1 -10 19  14 o 89.144  2.8164  4305.49    271.931  3892.30    387.519  4706.32    381.684  84.734  4.2225  93.183  3.7818  -8.449699      5.668428  
1 1 1 -10 19  15 o 309.502 5.4410  51979.22   1823.94  48791.99   2580.02  55163.61   2578.87  299.526 7.9528  318.562 7.4742  -19.03583      10.91378  
1 1 1 -10 19  16 o 205.238 3.9551  22838.14   879.186  22424.43   1754.40  22976.88   1015.97  203.007 7.9789  205.821 4.5574  -2.813385      9.188776  
1 1 1 -10 19  17 o 143.075 3.2503  11095.33   503.687  11101.47   997.095  11093.22   583.627  142.934 6.4407  143.040 3.7671  -0.1058502     7.461450  
1 1 1 -10 19  18 o 209.589 3.9950  23823.01   906.879  20345.00   1808.27  24991.76   1048.24  193.179 8.6424  214.626 4.5093  -21.44746      9.748055  
1 1 1 -10 19  19 o 257.725 4.6944  36053.04   1310.42  35884.47   2619.54  36109.30   1513.39  256.237 9.4387  257.828 5.4194  -1.591553      10.88389  
1 1 1 -10 19  20 o 52.515  2.1893  1494.33    124.522  1571.05    146.258  1292.23    237.392  53.841  2.5081  48.575  4.5657  5.265896       5.209243  
1 1 1 -10 19  21 o 70.999  3.2022  2734.00    246.242  3478.10    491.095  2484.09    284.604  79.744  5.7239  67.539  3.9073  12.20579       6.930392  
1 1 1 -10 19  22 o 108.555 3.0504  6393.35    358.657  7066.15    715.118  6167.24    414.566  113.707 5.8262  106.581 3.5912  7.125443       6.844040  
1 1 1 -10 19  23 o 86.721  3.0367  4082.78    285.230  4630.47    567.255  3897.45    329.979  91.893  5.7279  84.688  3.5975  7.205040       6.763888  
1 1 1 -10 19  24 o 21.946  6.6048  267.456    169.833  345.276    323.298  237.796    199.590  26.252  9.2018  21.452  7.2402  4.800808       11.70869  
1 1 1 -10 19  25 o 85.657  3.1853  3992.48    295.519  4367.88    612.795  3878.72    337.337  88.728  6.4199  84.358  3.6920  4.370209       7.405792  
1 1 1 -10 19  26 o 68.784  3.5640  2587.82    264.612  2406.22    536.364  2646.24    304.210  65.124  7.7567  69.457  4.0615  -4.332939      8.755685  
1 1 1 -10 19  27 o 94.709  3.2482  4894.44    333.200  4979.14    673.242  4866.96    383.456  94.193  6.6416  94.324  3.7534  -0.1304474     7.628788  
1 1 1 -10 19  28 o 52.671  2.5821  1511.12    147.301  2182.16    493.851  1445.59    154.326  61.569  7.5648  51.419  2.7814  10.15018       8.059939  
1 1 1 -10 19  29 o 82.073  3.3810  3692.81    300.547  3747.73    607.719  3675.03    345.794  80.819  7.0121  81.708  3.9074  -0.8893814     8.027242  
1 1 1 -10 19  30 o 52.770  4.3130  1554.13    244.358  1637.82    499.553  1527.80    280.163  51.622  9.2755  52.043  5.0331  -0.4204636     10.55306  
1 1 1 -10 19  31 o 69.326  3.7618  2668.99    281.407  2536.55    566.381  2712.41    324.263  64.630  8.2816  69.615  4.3219  -4.985275      9.341504  
1 1 1 -10 19  32 o 43.407  1.7252  1027.30    81.108   1092.61    117.989  968.792    111.679  44.547  2.4549  41.934  2.4697  2.612072       3.482271  
1 1 1 -10 19  33 o 52.803  8.6782  1862.06    479.065  0.0000     0.0000   1862.06    479.065  ?       ?       52.803  8.6782  0.000000       8.678191  
1 1 1 -10 19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 20  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 20  2  o 548.343 11.712  163235.09  6955.87  163196.80  7647.27  163418.70  16740.53 548.137 12.881  544.659 28.476  3.477844       31.25420  
1 1 1 -10 20  3  o 504.782 9.6064  138222.59  5252.12  135517.59  6430.21  143644.30  9103.46  499.595 11.883  513.766 16.360  -14.17059      20.21997  
1 1 1 -10 20  4  o 542.630 10.383  159781.00  6102.09  159766.91  7471.54  159809.30  10574.69 542.331 12.720  541.576 18.028  0.7547607      22.06317  
1 1 1 -10 20  5  f 631.021 11.848  216232.50  8097.79  216232.50  8097.79  0.0000     0.0000   631.021 11.848  ?       ?       0.000000       11.84820  
1 1 1 -10 20  6  o 388.058 7.4781  81647.23   3143.11  81647.23   3143.11  0.0000     0.0000   388.058 7.4781  ?       ?       0.000000       7.478133  
1 1 1 -10 20  7  o 317.435 5.4759  54607.09   1882.71  54400.53   2661.98  54813.84   2663.13  316.723 7.7599  317.926 7.7339  -1.202362      10.95574  
1 1 1 -10 20  8  o 320.550 5.5405  55690.32   1923.58  54215.77   2719.88  57165.92   2720.84  316.144 7.9432  324.645 7.7379  -8.501190      11.08916  
1 1 1 -10 20  9  o 288.490 4.9625  45104.56   1550.62  42268.79   2192.30  47943.46   2193.51  279.158 7.2507  297.334 6.8112  -18.17615      9.948125  
1 1 1 -10 20  10 o 67.441  2.6902  2463.75    196.506  2708.08    281.608  2231.87    274.338  70.602  3.6955  64.057  3.9737  6.545288       5.426532  
1 1 1 -10 20  11 o 99.303  3.3229  5342.63    357.394  4026.24    627.730  5974.00    434.733  85.877  6.8045  104.999 3.8227  -19.12202      7.804733  
1 1 1 -10 20  12 o 68.798  2.7655  2564.15    206.071  3004.69    294.648  2142.35    288.312  74.464  3.6533  62.724  4.2692  11.73912       5.618986  
1 1 1 -10 20  13 o 170.290 3.4646  15714.29   639.016  16235.45   905.579  15197.42   901.843  173.038 4.8319  167.408 4.9737  5.629257       6.934342  
1 1 1 -10 20  14 o 147.065 3.2248  11720.00   513.661  11499.28   728.507  11938.22   724.362  145.626 4.6188  148.384 4.5071  -2.757797      6.453456  
1 1 1 -10 20  15 o 393.004 6.7138  83900.29   2857.82  79930.08   4042.03  87868.68   4041.10  382.945 9.7452  401.629 9.2897  -18.68454      13.46362  
1 1 1 -10 20  16 o 126.295 3.0372  8643.95    415.458  8058.13    822.601  8844.55    481.363  121.643 6.2648  127.738 3.4792  -6.095169      7.166112  
1 1 1 -10 20  17 o 437.207 7.3785  103983.50  3494.00  107133.20  6987.55  102933.40  4034.62  440.892 14.633  434.654 8.5702  6.237701       16.95765  
1 1 1 -10 20  18 o 99.430  2.9479  5358.21    317.467  6056.69    566.098  5037.76    383.437  105.637 4.9477  96.390  3.6727  9.246506       6.161919  
1 1 1 -10 20  19 o 113.448 3.0030  6976.60    369.002  8226.16    738.229  6560.42    426.044  123.049 5.5391  109.990 3.5763  13.05930       6.593296  
1 1 1 -10 20  20 o 124.497 3.1081  8403.67    419.108  8084.59    835.262  8511.03    484.517  121.720 6.3577  125.266 3.5711  -3.546524      7.292008  
1 1 1 -10 20  21 f 216.826 4.3599  25533.67   1023.90  24935.60   2596.63  25643.79   1114.18  212.233 11.337  217.236 4.7353  -5.003296      12.28627  
1 1 1 -10 20  22 o 43.753  4.2071  1049.87    196.913  704.191    380.236  1176.56    230.183  35.181  9.6764  46.280  4.6553  -11.09874      10.73795  
1 1 1 -10 20  23 o 147.996 3.3035  11897.07   529.532  12361.57   1056.48  11741.22   611.951  150.218 6.4934  146.946 3.8449  3.271606       7.546355  
1 1 1 -10 20  24 o 123.304 3.0994  8263.19    413.927  7548.31    825.886  8503.00    478.342  116.955 6.5460  125.014 3.5327  -8.058769      7.438473  
1 1 1 -10 20  25 o 135.714 3.2534  10025.44   478.220  11501.08   970.497  9552.24    549.573  144.394 6.2055  132.342 3.8341  12.05220       7.294376  
1 1 1 -10 20  26 o 58.720  3.9903  1893.28    252.281  1360.91    499.702  2075.39    292.263  47.976  9.9432  61.399  4.4245  -13.42324      10.88320  
1 1 1 -10 20  27 o 141.481 3.3734  10929.62   516.928  11118.32   1036.23  10867.10   596.442  140.949 6.7877  140.878 3.9089  0.7090759E-01  7.832786  
1 1 1 -10 20  28 o 44.507  2.2892  1080.53    109.977  1054.88    121.218  1199.90    261.504  43.934  2.5585  46.214  5.3216  -2.279770      5.904630  
1 1 1 -10 20  29 o 33.559  6.2155  653.299    217.597  1177.75    452.549  495.589    248.167  43.686  9.8049  28.814  7.7730  14.87280       12.51221  
1 1 1 -10 20  30 o 18.413  7.2629  127.500    213.501  287.310    432.114  75.888     245.568  25.748  10.277  18.229  7.5665  7.518394       12.76167  
1 1 1 -10 20  31 o 21.640  7.5278  260.691    216.171  645.724    443.532  140.734    247.565  31.665  10.793  19.383  7.7638  12.28151       13.29490  
1 1 1 -10 20  32 o 39.570  1.8926  855.083    81.115   868.649    85.046   718.425    269.921  39.869  1.9695  33.694  7.5798  6.174458       7.831448  
1 1 1 -10 20  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 21  1  o 617.980 14.444  207607.70  9667.96  206503.09  13667.47 208713.91  13677.65 615.146 20.513  618.452 20.419  -3.305725      28.94374  
1 1 1 -10 21  2  o 497.341 9.6914  134183.41  5220.48  136694.20  6391.60  129151.50  9048.28  501.768 11.761  487.033 17.153  14.73590       20.79755  
1 1 1 -10 21  3  o 352.196 6.9939  67236.72   2667.94  67270.01   3264.89  67169.81   4628.54  352.203 8.5586  351.697 12.151  0.5066223      14.86245  
1 1 1 -10 21  4  o 386.623 9.2519  81083.04   3874.24  81083.04   3874.24  0.0000     0.0000   386.623 9.2519  ?       ?       0.000000       9.251863  
1 1 1 -10 21  5  o 271.725 5.4581  40009.16   1606.35  40009.16   1606.35  0.0000     0.0000   271.725 5.4581  ?       ?       0.000000       5.458083  
1 1 1 -10 21  6  o 273.630 4.3222  40564.34   1280.97  40217.33   1652.96  41086.05   2026.78  272.420 5.6022  275.302 6.7972  -2.882172      8.808266  
1 1 1 -10 21  7  o 108.610 2.6938  6389.32    316.888  6278.22    446.104  6502.47    450.217  107.652 3.8260  109.558 3.7941  -1.906006      5.388266  
1 1 1 -10 21  8  o 133.172 2.8400  9606.39    409.637  10463.45   580.420  8755.84    578.216  138.973 3.8561  127.123 4.1995  11.84954       5.701298  
1 1 1 -10 21  9  o 238.412 4.3219  30799.63   1116.03  30233.14   1578.96  31365.18   1577.65  236.138 6.1736  240.524 6.0559  -4.385681      8.647961  
1 1 1 -10 21  10 o 335.471 5.7561  61018.29   2091.46  59438.72   2958.00  62597.37   2957.55  330.896 8.2535  339.595 8.0408  -8.699097      11.52278  
1 1 1 -10 21  11 o 135.338 3.5974  9924.58    527.319  10690.50   920.740  9550.73    643.263  140.394 6.0550  132.745 4.4740  7.649277       7.528653  
1 1 1 -10 21  12 o 238.792 4.3302  30908.04   1119.95  30018.95   1586.06  31792.22   1581.66  235.219 6.2256  242.080 6.0323  -6.861542      8.668687  
1 1 1 -10 21  13 o 152.421 3.2868  12588.82   542.606  12483.72   769.070  12692.99   765.664  151.738 4.6795  153.006 4.6202  -1.268814      6.576024  
1 1 1 -10 21  14 o 563.528 9.4116  172908.80  5744.46  167523.41  8124.17  178293.50  8123.62  553.081 13.562  570.777 13.141  -17.69611      18.88381  
1 1 1 -10 21  15 o 360.785 6.7091  70710.02   2621.69  66519.63   4048.38  73736.61   3440.58  349.097 10.707  368.053 8.6308  -18.95532      13.75241  
1 1 1 -10 21  16 o 311.183 5.4668  52560.32   1842.54  54609.73   3685.38  51877.33   2127.52  316.164 10.762  309.032 6.3562  7.131927       12.49906  
1 1 1 -10 21  17 o 49.173  3.5019  1317.44    185.292  1507.23    374.975  1256.13    213.131  52.222  6.7901  47.949  4.1447  4.273281       7.955140  
1 1 1 -10 21  18 o 370.607 6.7769  74697.80   2720.29  78151.13   5049.46  73285.72   3228.90  377.225 12.359  366.747 8.1287  10.47842       14.79235  
1 1 1 -10 21  19 o 48.692  2.2205  1284.64    117.106  1273.20    135.924  1317.56    230.671  48.400  2.6024  49.080  4.3855  -0.6799889     5.099523  
1 1 1 -10 21  20 o 188.508 3.7815  19278.57   772.089  21391.73   1543.76  18573.67   891.612  198.110 7.1945  184.967 4.4505  13.14334       8.459835  
1 1 1 -10 21  21 o 148.103 3.3499  11899.50   537.367  13102.20   1073.21  11497.09   620.791  155.050 6.3907  145.529 3.9385  9.521149       7.506795  
1 1 1 -10 21  22 o 109.484 3.0466  6503.96    361.271  6844.60    720.800  6389.68    417.496  111.854 5.9712  108.481 3.5533  3.373772       6.948493  
1 1 1 -10 21  23 o 38.327  2.0205  798.651    83.579   778.682    90.453   915.271    218.589  37.828  2.2174  40.655  5.0746  -2.826759      5.537922  
1 1 1 -10 21  24 o 143.517 3.2813  11200.72   510.067  10759.68   1003.23  11354.47   592.338  139.778 6.6266  144.400 3.7873  -4.621979      7.632565  
1 1 1 -10 21  25 o 171.139 3.6680  15966.08   679.896  17387.16   1356.28  15489.10   785.756  177.018 7.0739  168.353 4.3092  8.665527       8.283111  
1 1 1 -10 21  26 o 97.554  3.1422  5184.28    332.003  5041.84    683.863  5228.21    379.759  95.007  6.6884  97.880  3.5822  -2.872604      7.587262  
1 1 1 -10 21  27 o 28.446  1.8804  441.252    57.609   434.302    59.315   556.857    241.915  28.213  1.9531  30.873  7.3419  -2.660225      7.597257  
1 1 1 -10 21  28 o 57.033  3.9760  1794.86    244.074  2171.67    497.106  1675.17    280.170  61.336  7.6490  54.867  4.7618  6.469208       9.010077  
1 1 1 -10 21  29 o 41.901  1.5288  953.243    69.382   933.030    465.962  953.701    70.165   38.448  10.763  41.910  1.5457  -3.461967      10.87379  
1 1 1 -10 21  30 o 34.191  6.3853  685.432    227.764  550.330    456.944  730.096    262.729  30.468  10.914  35.001  7.1715  -4.533237      13.05895  
1 1 1 -10 21  31 o 28.322  0.9860  435.085    30.244   579.197    43.583   301.225    42.004   32.662  1.2320  23.472  1.6630  9.189795       2.069592  
1 1 1 -10 21  32 o 19.576  7.5018  193.118    222.663  155.897    475.647  203.564    251.977  23.190  10.101  20.319  7.9274  2.871328       12.84004  
1 1 1 -10 21  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 22  1  f 502.619 26.324  138950.91  14280.68 0.0000     0.0000   138950.91  14280.68 ?       ?       502.619 26.324  0.000000       26.32406  
1 1 1 -10 22  2  o 533.436 12.578  154560.80  7266.94  154560.80  7266.94  0.0000     0.0000   533.436 12.578  ?       ?       0.000000       12.57764  
1 1 1 -10 22  3  o 102.370 3.8539  5676.83    427.306  5676.83    427.306  0.0000     0.0000   102.370 3.8539  ?       ?       0.000000       3.853876  
1 1 1 -10 22  4  o 325.211 6.3880  57322.25   2250.10  57322.25   2250.10  0.0000     0.0000   325.211 6.3880  ?       ?       0.000000       6.388019  
1 1 1 -10 22  5  o 860.760 28.639  408137.91  26700.38 408137.91  26700.38 0.0000     0.0000   860.760 28.639  ?       ?       0.000000       28.63949  
1 1 1 -10 22  6  o 753.026 12.327  308147.09  10053.99 302179.59  14218.09 314115.31  14218.88 744.359 17.636  759.019 17.296  -14.65985      24.70139  
1 1 1 -10 22  7  o 312.660 5.2595  52977.26   1781.08  54176.90   2518.68  51777.33   2518.98  316.075 7.3572  308.986 7.5269  7.088806       10.52532  
1 1 1 -10 22  8  o 243.527 4.3243  32134.05   1140.59  33609.95   1613.00  30657.98   1613.09  248.997 5.9809  237.799 6.2629  11.19760       8.660019  
1 1 1 -10 22  9  o 359.023 5.9042  69882.80   2295.92  70086.47   3247.62  69679.30   3246.22  359.346 8.3442  358.298 8.3649  1.047363       11.81513  
1 1 1 -10 22  10 o 277.150 4.8832  41634.36   1465.84  42479.63   2074.01  40790.72   2072.02  279.831 6.8430  274.202 6.9767  5.628540       9.772487  
1 1 1 -10 22  11 o 276.375 5.7184  41423.43   1711.76  39043.32   2968.36  42609.28   2095.23  267.904 10.230  280.213 6.9036  -12.30865      12.34129  
1 1 1 -10 22  12 o 204.249 3.9223  22609.51   867.692  23083.36   1228.49  22137.79   1225.72  206.302 5.4979  202.027 5.6016  4.275345       7.848884  
1 1 1 -10 22  13 o 150.552 3.3065  12282.17   539.175  12014.76   764.062  12547.42   760.964  148.856 4.7391  152.125 4.6184  -3.268692      6.617290  
1 1 1 -10 22  14 o 139.592 3.2738  10559.79   494.971  11518.54   726.404  9728.82    676.271  145.744 4.6017  133.941 4.6616  11.80272       6.550282  
1 1 1 -10 22  15 o 130.277 3.1198  9197.44    440.213  9108.07    631.272  9282.04    614.190  129.595 4.4974  130.833 4.3343  -1.238449      6.245979  
1 1 1 -10 22  16 o 188.507 4.3172  19271.51   881.453  18781.62   1522.10  19518.69   1081.20  185.820 7.5628  189.645 5.2637  -3.825546      9.214256  
1 1 1 -10 22  17 o 238.505 4.4154  30856.70   1140.62  31636.82   2280.87  30596.55   1317.15  240.925 8.7407  237.430 5.1219  3.494415       10.13086  
1 1 1 -10 22  18 o 201.909 3.9288  22109.68   859.195  23126.85   1718.50  21770.68   992.093  206.079 7.6992  200.304 4.5729  5.774460       8.954843  
1 1 1 -10 22  19 f 310.186 5.4386  52274.56   1827.16  53085.71   3653.27  52003.97   2110.02  311.092 10.842  309.211 6.3003  1.880768       12.53993  
1 1 1 -10 22  20 o 161.584 3.5508  14162.57   621.429  13107.99   1423.58  14410.83   690.713  154.627 8.5332  162.966 3.9132  -8.339157      9.387668  
1 1 1 -10 22  21 o 264.729 4.8163  38094.25   1380.97  38236.01   2760.35  38046.93   1594.92  263.742 9.6631  264.398 5.5694  -0.6567383     11.15317  
1 1 1 -10 22  22 o 180.849 3.7566  17765.89   735.844  18752.60   1399.02  17388.52   865.189  185.118 6.9775  178.806 4.4674  6.312546       8.285185  
1 1 1 -10 22  23 o 97.803  2.9802  5193.59    315.696  5761.17    628.806  5002.31    365.036  102.506 5.6860  95.937  3.5130  6.569099       6.683691  
1 1 1 -10 22  24 o 86.121  3.0605  4031.54    285.481  4793.07    559.621  3763.64    331.918  93.346  5.5603  83.141  3.6859  10.20547       6.671049  
1 1 1 -10 22  25 o 154.484 3.4766  13002.57   581.709  13145.69   1168.09  12955.36   670.807  153.918 7.0068  154.046 4.0205  -0.1280365     8.078289  
1 1 1 -10 22  26 o 43.769  1.9644  1039.92    93.124   1068.39    100.411  864.843    248.992  44.357  2.0900  39.094  6.0778  5.263409       6.427083  
1 1 1 -10 22  27 o 127.292 3.2683  8844.45    450.602  9052.42    904.575  8775.81    519.667  127.100 6.5936  126.625 3.7891  0.4740982      7.604809  
1 1 1 -10 22  28 o 30.670  6.7668  549.717    218.759  399.029    436.990  600.109    252.703  28.251  10.581  31.894  7.4499  -3.643181      12.94027  
1 1 1 -10 22  29 o 103.210 3.2549  5836.94    363.851  5953.77    735.125  5799.03    418.738  102.154 6.6809  102.672 3.7655  -0.5177917     7.668994  
1 1 1 -10 22  30 o 63.685  3.9299  2249.53    269.747  2261.90    531.687  2245.25    313.024  61.552  8.1776  63.352  4.5931  -1.799953      9.379212  
1 1 1 -10 22  31 o 35.176  1.6786  673.277    63.952   684.662    66.109   507.263    252.444  35.467  1.7209  28.629  7.8886  6.838295       8.074109  
1 1 1 -10 22  32 o 42.383  5.4519  1057.31    244.469  1147.65    520.192  1031.69    276.959  39.057  11.514  41.262  6.4049  -2.204853      13.17516  
1 1 1 -10 22  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 23  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 23  2  o 88.474  5.5536  4258.30    529.479  4258.30    529.479  0.0000     0.0000   88.474  5.5536  ?       ?       0.000000       5.553583  
1 1 1 -10 23  3  o 566.514 10.916  174215.70  6698.12  174215.70  6698.12  0.0000     0.0000   566.514 10.916  ?       ?       0.000000       10.91621  
1 1 1 -10 23  4  o 81.092  3.0776  3561.88    270.310  3561.88    270.310  0.0000     0.0000   81.092  3.0776  ?       ?       0.000000       3.077621  
1 1 1 -10 23  5  o 282.428 4.5819  43217.22   1401.61  41245.81   1808.35  46183.45   2218.18  275.864 6.0523  291.870 7.0168  -16.00534      9.266341  
1 1 1 -10 23  6  o 425.921 7.0542  98359.04   3254.22  92459.52   4601.13  104263.80  4603.18  412.674 10.294  438.288 9.6968  -25.61420      14.14198  
1 1 1 -10 23  7  o 302.350 5.2859  49543.04   1731.01  48365.21   2447.32  50722.20   2448.71  298.618 7.5667  305.819 7.3927  -7.200287      10.57859  
1 1 1 -10 23  8  o 605.965 9.9143  199432.41  6506.99  197849.41  9201.82  201015.80  9202.73  602.663 14.097  607.494 13.986  -4.831116      19.85812  
1 1 1 -10 23  9  o 298.143 5.0420  48178.88   1628.17  47357.57   2302.48  49000.36   2302.70  295.461 7.1949  300.550 7.0737  -5.089569      10.08982  
1 1 1 -10 23  10 o 413.145 6.8838  92605.25   3080.38  88342.76   4356.19  96868.20   4356.42  403.121 9.9770  422.196 9.5268  -19.07452      13.79495  
1 1 1 -10 23  11 o 438.444 8.4821  104437.80  4027.98  111397.40  6981.75  100965.60  4931.46  451.497 14.277  430.714 10.571  20.78333       17.76461  
1 1 1 -10 23  12 o 64.120  2.8867  2227.48    200.476  2229.25    292.301  2225.90    275.478  63.990  4.2415  63.960  3.9966  0.2927017E-01  5.827774  
1 1 1 -10 23  13 o 178.874 3.6322  17340.43   703.705  17125.02   999.216  17552.41   991.211  177.690 5.1919  179.899 5.0871  -2.209183      7.268694  
1 1 1 -10 23  14 o 62.085  3.1267  2094.07    209.581  1724.85    309.448  2406.95    284.860  56.154  5.1451  66.515  3.9722  -10.36157      6.500030  
1 1 1 -10 23  15 o 35.439  4.2461  690.746    159.736  831.514    233.453  566.826    219.038  38.722  5.7402  31.719  6.5910  7.003260       8.740149  
1 1 1 -10 23  16 o 157.848 3.3654  13505.22   575.362  13732.59   817.306  13281.84   810.112  159.102 4.7428  156.467 4.7803  2.635040       6.733898  
1 1 1 -10 23  17 o 163.624 3.4497  14513.51   611.356  14731.60   1221.80  14440.67   706.109  164.603 6.8532  163.184 3.9951  1.418381       7.932648  
1 1 1 -10 23  18 o 121.082 3.0669  7946.77    402.208  8299.24    803.810  7829.05    464.547  123.581 6.0052  120.163 3.5693  3.418465       6.985921  
1 1 1 -10 23  19 o 51.264  3.6530  1432.49    201.504  2102.10    402.768  1208.93    232.723  61.881  6.0882  46.965  4.6355  14.91571       7.652063  
1 1 1 -10 23  20 o 183.095 3.7099  18187.92   735.710  17431.86   1467.30  18441.83   850.323  178.735 7.5795  184.316 4.2594  -5.580566      8.694312  
1 1 1 -10 23  21 o 190.496 3.7784  19698.92   779.594  18147.03   1558.96  20216.41   900.242  182.113 7.9036  192.914 4.3085  -10.80095      9.001661  
1 1 1 -10 23  22 o 132.280 3.2311  9498.20    462.926  10348.65   913.614  9204.43    536.960  137.660 6.1275  130.159 3.8089  7.500381       7.214863  
1 1 1 -10 23  23 o 50.158  2.1534  1364.38    116.985  1411.44    136.606  1234.94    226.553  51.005  2.4728  47.404  4.4651  3.600468       5.104111  
1 1 1 -10 23  24 o 144.060 3.6036  11298.57   562.270  11146.52   1157.27  11345.55   643.302  141.631 7.5715  144.243 4.1177  -2.612335      8.618748  
1 1 1 -10 23  25 o 173.087 3.8479  16346.75   721.375  17887.32   1384.06  15772.17   845.262  179.438 7.1215  169.746 4.5975  9.691818       8.476583  
1 1 1 -10 23  26 o 84.049  2.8507  3845.00    259.507  3644.05    602.364  3890.80    287.562  80.545  6.9736  84.502  3.1419  -3.956963      7.648677  
1 1 1 -10 23  27 o 27.203  6.9378  430.810    205.053  530.361    427.692  401.097    233.659  30.837  10.596  26.341  7.7027  4.495726       13.10013  
1 1 1 -10 23  28 o 100.283 3.3001  5501.31    358.453  5831.30    711.589  5389.10    414.945  101.612 6.4998  99.071  3.8670  2.540939       7.563113  
1 1 1 -10 23  29 o 88.436  3.3239  4288.27    318.376  4756.79    643.877  4136.65    366.288  91.331  6.5526  86.656  3.9026  4.674599       7.626691  
1 1 1 -10 23  30 o 30.037  2.1307  494.007    68.870   477.459    71.346   720.081    263.708  29.509  2.2492  34.711  7.2482  -5.202719      7.589156  
1 1 1 -10 23  31 o 4.0789  2.0009  -60.5661   30.213   -61.5621   30.459   0.3778     238.262  4.0847  2.0049  16.465  7.1602  -12.37984      7.435546  
1 1 1 -10 23  32 o 18.984  7.4403  170.508    222.732  -130.0175  481.635  252.262    251.208  20.248  9.3565  21.302  8.0135  -1.054567      12.31913  
1 1 1 -10 23  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 24  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 24  2  o 641.698 33.948  228762.20  23510.97 228762.20  23510.97 0.0000     0.0000   641.698 33.948  ?       ?       0.000000       33.94826  
1 1 1 -10 24  3  o 223.322 8.3633  27047.71   2022.94  27047.71   2022.94  0.0000     0.0000   223.322 8.3633  ?       ?       0.000000       8.363342  
1 1 1 -10 24  4  o 94.734  2.7636  4860.97    283.559  5195.17    324.763  3788.88    581.668  97.935  3.0617  83.354  6.4941  14.58036       7.179634  
1 1 1 -10 24  5  o 330.180 6.1683  59090.89   2205.90  57910.41   3397.06  59951.56   2900.64  326.662 9.6014  332.473 8.0550  -5.811249      12.53279  
1 1 1 -10 24  6  f 443.683 7.3323  106750.90  3523.57  100877.90  4981.77  112630.10  4984.40  430.980 10.672  455.461 10.104  -24.48038      14.69649  
1 1 1 -10 24  7  o 322.604 5.6448  56411.01   1972.38  56231.83   2788.55  56590.40   2790.18  321.948 7.9969  322.975 7.9762  -1.026306      11.29467  
1 1 1 -10 24  8  o 514.779 8.3979  143822.41  4682.35  141419.09  6621.35  146226.41  6622.33  509.886 11.990  518.517 11.792  -8.631287      16.81650  
1 1 1 -10 24  9  o 347.849 5.8869  65606.20   2217.92  66070.38   3136.61  65142.02   3136.60  348.870 8.3010  346.404 8.3600  2.465607       11.78114  
1 1 1 -10 24  10 f 132.199 3.0072  9467.98    430.591  10125.21   616.398  8841.60    601.760  136.688 4.1635  127.726 4.3498  8.961823       6.021288  
1 1 1 -10 24  11 o 363.124 7.1788  71578.60   2823.41  74993.54   4896.05  69877.16   3455.92  370.855 12.189  358.553 8.8990  12.30231       15.09191  
1 1 1 -10 24  12 o 188.319 3.7081  19219.49   756.334  19483.48   1071.59  18957.44   1067.66  189.542 5.2198  186.963 5.2724  2.578934       7.419188  
1 1 1 -10 24  13 o 86.874  2.9373  4089.23    276.386  3584.20    394.604  4575.58    387.238  81.181  4.5055  91.878  3.8913  -10.69730      5.953326  
1 1 1 -10 24  14 o 224.689 4.1992  27371.91   1021.92  26977.90   1448.52  27762.35   1441.95  222.932 5.9990  226.160 5.8866  -3.227798      8.404765  
1 1 1 -10 24  15 o 194.633 3.8230  20536.75   805.916  21100.26   1141.92  19977.54   1137.57  197.185 5.3468  191.858 5.4743  5.327271       7.652157  
1 1 1 -10 24  16 o 245.548 4.5245  32704.83   1203.31  32384.43   1703.50  33023.90   1699.97  244.141 6.4422  246.549 6.3660  -2.408081      9.056919  
1 1 1 -10 24  17 o 258.207 4.7065  36174.56   1316.23  37254.62   2630.09  35813.67   1520.31  261.312 9.2927  256.830 5.4653  4.482208       10.78072  
1 1 1 -10 24  18 o 78.768  3.0069  3362.95    256.529  4434.59    513.424  3006.42    296.144  90.216  5.2774  74.459  3.6721  15.75626       6.429247  
1 1 1 -10 24  19 o 197.284 3.8756  21113.32   828.141  22595.10   1656.32  20619.43   956.246  203.618 7.5103  194.903 4.5298  8.714844       8.770662  
1 1 1 -10 24  20 o 346.032 6.0088  65162.60   2252.02  62097.79   4502.20  66185.32   2600.77  335.140 12.403  348.469 6.8908  -13.32910      14.18864  
1 1 1 -10 24  21 o 54.966  3.6312  1646.98    214.962  2497.09    421.549  1348.24    249.893  67.461  5.8265  49.580  4.7100  17.88063       7.492167  
1 1 1 -10 24  22 o 100.812 3.0209  5515.46    329.848  5043.19    652.608  5677.51    382.269  95.854  6.3215  102.249 3.4518  -6.394875      7.202473  
1 1 1 -10 24  23 f 129.340 3.1599  9088.04    442.664  9522.69    881.512  8941.47    511.886  131.817 6.1743  128.221 3.6859  3.596207       7.190803  
1 1 1 -10 24  24 o 104.044 2.8941  5882.98    326.137  5017.15    662.751  6159.65    374.636  95.213  6.4649  106.414 3.2504  -11.20062      7.236062  
1 1 1 -10 24  25 o 75.678  3.3655  3119.76    275.861  3216.12    564.386  3089.51    316.207  75.828  6.9492  75.137  3.8989  0.6905365      7.968249  
1 1 1 -10 24  26 o 26.846  6.8915  417.092    201.402  289.175    421.131  455.024    229.328  26.523  10.276  28.001  7.4364  -1.477673      12.68454  
1 1 1 -10 24  27 o 40.287  1.4921  880.480    65.108   957.692    442.094  878.768    65.826   39.756  10.213  40.247  1.5100  -0.4913292     10.32384  
1 1 1 -10 24  28 o 95.493  3.2392  4987.17    335.032  5745.62    679.226  4743.30    385.146  100.997 6.2398  92.950  3.8257  8.046646       7.319196  
1 1 1 -10 24  29 o 44.283  1.7378  1065.66    83.352   1116.34    88.339   654.503    251.624  45.318  1.7998  33.217  7.2015  12.10067       7.422999  
1 1 1 -10 24  30 o 61.375  2.3058  2054.65    153.278  2296.59    182.336  1471.79    283.007  64.826  2.5969  50.973  5.1989  13.85320       5.811426  
1 1 1 -10 24  31 o 92.743  3.3736  4753.13    338.885  4858.14    698.158  4720.77    387.611  90.410  7.1890  92.127  3.8845  -1.717506      8.171371  
1 1 1 -10 24  32 o 12.730  2.0483  90.885     27.284   -274.6805  476.534  92.088     27.329   18.896  8.9170  12.818  2.0366  6.078402       9.146605  
1 1 1 -10 24  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 25  1  o 194.098 7.5943  20427.02   1596.54  20427.02   1596.54  0.0000     0.0000   194.098 7.5943  ?       ?       0.000000       7.594300  
1 1 1 -10 25  2  o 222.251 8.3395  26789.38   2007.49  26789.38   2007.49  0.0000     0.0000   222.251 8.3395  ?       ?       0.000000       8.339475  
1 1 1 -10 25  3  o 445.672 12.649  107937.20  6105.77  107173.10  7298.46  109718.90  11145.14 443.754 15.185  446.963 23.101  -3.208618      27.64498  
1 1 1 -10 25  4  o 424.616 10.180  97870.49   4681.88  99000.73   6619.85  96739.35   6622.50  426.571 14.328  421.647 14.501  4.923737       20.38570  
1 1 1 -10 25  5  o 313.032 6.3634  53118.36   2157.48  55000.68   2640.99  49341.90   3740.77  318.460 7.6567  301.367 11.460  17.09271       13.78270  
1 1 1 -10 25  6  o 487.512 8.1545  128936.10  4305.76  126146.50  6088.52  131727.00  6090.01  481.766 11.668  492.344 11.420  -10.57806      16.32706  
1 1 1 -10 25  7  o 363.242 6.5645  71544.39   2582.68  71577.58   3390.85  71498.54   3985.77  363.162 8.6206  362.812 10.143  0.3504944      13.31136  
1 1 1 -10 25  8  o 242.201 4.2407  31786.64   1112.46  32207.52   1572.14  31364.55   1574.39  243.731 5.9554  240.516 6.0436  3.214828       8.484822  
1 1 1 -10 25  9  o 211.492 4.0276  24237.26   922.602  23488.72   1304.54  24986.30   1304.98  208.135 5.7868  214.675 5.6124  -6.540344      8.061448  
1 1 1 -10 25  10 o 522.599 8.6051  148361.30  4870.73  152112.70  6888.85  144611.20  6887.66  528.386 12.037  515.112 12.345  13.27374       17.24237  
1 1 1 -10 25  11 o 348.641 7.7547  66015.65   2928.29  65197.19   4585.74  66579.17   3805.11  345.732 12.246  349.786 10.044  -4.053772      15.83810  
1 1 1 -10 25  12 o 288.408 5.1193  45108.74   1599.15  45949.41   2261.82  44268.49   2261.25  290.886 7.1790  285.501 7.3126  5.384857       10.24754  
1 1 1 -10 25  13 o 140.471 3.2684  10692.76   497.274  10415.24   729.559  10933.58   679.599  138.583 4.8605  142.007 4.4185  -3.423843      6.568654  
1 1 1 -10 25  14 o 222.643 4.1988  26876.08   1012.53  26696.80   1433.23  27054.71   1430.63  221.766 5.9669  223.252 5.9165  -1.486069      8.402913  
1 1 1 -10 25  15 o 129.284 3.0933  9058.02    433.152  9284.63    615.903  8836.24    609.290  130.847 4.3459  127.646 4.4071  3.201088       6.189421  
1 1 1 -10 25  16 o 129.890 3.1157  9143.83    438.334  9274.89    624.131  9016.27    615.749  130.767 4.4066  128.931 4.4094  1.836121       6.233864  
1 1 1 -10 25  17 o 68.933  3.0441  2575.43    227.282  2550.67    452.613  2583.78    262.821  68.237  6.1914  68.945  3.5314  -0.7078629     7.127699  
1 1 1 -10 25  18 o 242.400 4.7512  31891.87   1247.39  30667.70   3254.11  32102.73   1350.55  235.726 12.793  243.155 5.1281  -7.428787      13.78285  
1 1 1 -10 25  19 o 135.611 3.1924  9970.87    468.898  10283.43   915.882  9859.84    545.861  137.504 6.1497  134.825 3.7380  2.679428       7.196635  
1 1 1 -10 25  20 o 105.317 3.0446  6014.46    347.298  6259.43    692.636  5932.19    401.404  107.077 5.9964  104.570 3.5441  2.506279       6.965433  
1 1 1 -10 25  21 o 57.407  3.5866  1795.78    221.892  2137.68    425.880  1668.38    259.966  62.279  6.4049  55.238  4.3811  7.040592       7.759961  
1 1 1 -10 25  22 o 109.825 3.0323  6546.52    360.700  6665.61    715.968  6506.01    417.562  110.301 6.0157  109.443 3.5226  0.8588257      6.971174  
1 1 1 -10 25  23 o 62.743  3.2564  2145.00    220.535  1524.30    433.521  2361.71    256.156  51.959  7.9567  65.800  3.6080  -13.84146      8.736527  
1 1 1 -10 25  24 o 90.783  3.0612  4481.23    301.002  4595.68    581.311  4439.30    351.842  91.255  5.9133  90.289  3.5979  0.9659653      6.921801  
1 1 1 -10 25  25 o 85.702  3.2266  3999.31    299.508  4411.49    609.690  3868.20    343.859  89.103  6.3593  84.202  3.7704  4.901230       7.393006  
1 1 1 -10 25  26 o 41.209  4.8807  946.361    213.610  1235.31    441.931  858.273    244.008  45.786  9.2303  38.940  5.9763  6.845470       10.99616  
1 1 1 -10 25  27 o 50.580  2.1937  1390.70    120.181  1446.62    134.458  1168.48    268.013  51.568  2.4073  45.597  5.5407  5.970261       6.041041  
1 1 1 -10 25  28 o 112.589 3.0529  6926.46    372.294  6840.29    708.755  6959.30    437.514  110.378 5.9505  112.666 3.5853  -2.287903      6.947122  
1 1 1 -10 25  29 f 73.737  2.7486  2970.59    219.513  3015.55    304.625  2922.03    316.597  73.898  3.8190  72.657  4.0390  1.240997       5.558656  
1 1 1 -10 25  30 o 35.295  6.0061  724.624    221.375  862.124    479.836  687.444    249.517  36.370  11.136  33.965  7.0150  2.405678       13.16112  
1 1 1 -10 25  31 o 31.709  6.7560  608.665    224.930  20.155     490.131  765.676    253.163  22.594  10.030  35.636  6.8072  -13.04213      12.12199  
1 1 1 -10 25  32 o 19.549  7.4428  200.683    218.286  118.902    483.464  221.624    244.642  22.587  9.9974  20.440  7.8561  2.147146       12.71481  
1 1 1 -10 25  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 26  1  o 331.948 6.1955  59723.38   2227.47  59986.94   2389.97  57980.54   6145.87  332.659 6.6332  325.655 17.488  7.003723       18.70403  
1 1 1 -10 26  2  o 163.153 5.0898  14423.79   899.430  12799.17   1416.37  15521.66   1164.33  153.372 8.5604  169.221 6.3526  -15.84952      10.66004  
1 1 1 -10 26  3  o 882.210 29.416  429804.50  28107.94 429804.50  28107.94 0.0000     0.0000   882.210 29.416  ?       ?       0.000000       29.41622  
1 1 1 -10 26  4  o 657.223 34.978  241396.50  24809.46 0.0000     0.0000   241396.50  24809.46 ?       ?       657.223 34.978  0.000000       34.97842  
1 1 1 -10 26  5  o 390.502 10.970  82837.09   4639.89  84425.02   5567.22  79225.44   8396.07  393.976 13.047  379.910 20.480  14.06552       24.28268  
1 1 1 -10 26  6  o 424.073 8.3120  97578.01   3817.83  95900.73   4673.95  100940.80  6618.12  420.201 10.270  430.530 14.193  -10.32956      17.51844  
1 1 1 -10 26  7  o 331.797 5.7530  59679.10   2067.46  60427.81   2923.14  58929.68   2924.52  333.709 8.0875  329.537 8.1937  4.171265       11.51276  
1 1 1 -10 26  8  o 59.609  3.0047  1929.73    193.365  2417.55    271.578  1428.16    275.380  66.691  3.7752  51.083  5.0430  15.60807       6.299532  
1 1 1 -10 26  9  o 310.625 5.3908  52311.42   1813.67  51339.73   2564.28  53284.08   2565.56  307.550 7.6980  313.332 7.5598  -5.782288      10.78933  
1 1 1 -10 26  10 o 168.880 3.4603  15453.37   632.934  15372.40   895.074  15534.35   895.134  168.393 4.9076  169.278 4.8822  -0.8856201     6.922441  
1 1 1 -10 26  11 o 458.315 10.956  114429.50  5438.41  113557.80  7691.48  115301.00  7690.67  455.188 15.601  458.711 15.479  -3.522583      21.97725  
1 1 1 -10 26  12 o 393.673 6.7156  84135.59   2863.45  80316.40   4049.67  87954.23   4049.38  384.115 9.7339  402.054 9.2990  -17.93982      13.46180  
1 1 1 -10 26  13 f 97.519  2.8435  5152.65    300.335  5325.91    429.823  4987.36    419.829  99.121  4.0036  95.918  4.0411  3.202957       5.688581  
1 1 1 -10 26  14 o 193.216 3.8051  20237.26   796.309  19636.22   1127.40  20835.63   1124.90  190.226 5.4719  195.962 5.3000  -5.735809      7.617842  
1 1 1 -10 26  15 o 242.219 4.4386  31819.22   1164.46  30385.62   1647.82  33249.25   1645.76  236.510 6.4327  247.437 6.1409  -10.92734      8.893249  
1 1 1 -10 26  16 o 148.966 3.2924  12028.10   531.223  11697.63   754.211  12353.45   748.350  146.837 4.7423  150.906 4.5786  -4.069305      6.591851  
1 1 1 -10 26  17 o 251.840 5.7723  34448.53   1574.52  33322.31   3505.42  34733.17   1762.29  245.819 13.215  252.788 6.4365  -6.968689      14.69871  
1 1 1 -10 26  18 o 101.703 2.9772  5606.61    327.954  6975.81    656.536  5151.37    378.569  113.331 5.3486  97.467  3.5861  15.86361       6.439515  
1 1 1 -10 26  19 o 422.326 7.1872  97171.80   3287.61  96312.59   6574.47  97458.30   3796.34  416.599 14.570  422.529 8.2954  -5.929291      16.76637  
1 1 1 -10 26  20 o 271.721 4.8989  40121.50   1441.77  38354.79   2882.14  40711.17   1665.08  264.215 10.071  273.562 5.6196  -9.347473      11.53311  
1 1 1 -10 26  21 o 69.770  3.1412  2641.04    237.372  2702.30    473.453  2620.47    274.344  70.105  6.3027  69.379  3.6639  0.7257156      7.290238  
1 1 1 -10 26  22 o 72.616  3.1102  2862.60    244.621  2855.13    481.950  2865.19    283.911  71.995  6.2423  72.618  3.6096  -0.6231003     7.210842  
1 1 1 -10 26  23 o 22.337  1.3402  271.351    32.274   -94.4761   311.974  275.309    32.448   18.136  8.0290  22.500  1.3375  -4.364416      8.139629  
1 1 1 -10 26  24 o 138.859 3.2681  10491.15   491.522  10709.14   970.621  10415.97   570.013  139.361 6.4304  138.245 3.8068  1.116226       7.472752  
1 1 1 -10 26  25 o 111.931 3.2259  6822.56    391.085  6877.46    778.509  6804.03    452.297  111.271 6.4878  111.673 3.7394  -0.4014053     7.488334  
1 1 1 -10 26  26 o 68.694  3.5996  2584.50    266.888  3162.13    543.251  2400.73    306.415  75.003  6.7600  66.038  4.3075  8.964180       8.015754  
1 1 1 -10 26  27 o 44.828  4.6835  1118.51    224.042  1741.26    484.678  949.284    252.655  54.646  8.4624  40.934  5.8665  13.71256       10.29698  
1 1 1 -10 26  28 o 63.571  3.7598  2226.38    257.726  1859.51    545.544  2331.78    292.415  55.664  9.3823  64.935  4.1799  -9.270161      10.27124  
1 1 1 -10 26  29 o 42.354  5.0318  1013.45    226.313  567.460    485.486  1137.28    255.807  31.200  11.241  44.771  5.3832  -13.57117      12.46393  
1 1 1 -10 26  30 o 47.454  4.6479  1267.32    235.823  1702.71    512.261  1150.23    265.646  52.402  9.3694  44.811  5.5952  7.591297       10.91297  
1 1 1 -10 26  31 o 13.893  6.3143  -91.9471   207.402  -88.9388   461.246  -92.7095   232.201  20.829  9.4472  14.770  6.7007  6.058297       11.58227  
1 1 1 -10 26  32 o 34.706  6.3734  739.556    230.751  325.674    506.120  848.164    259.265  25.205  10.687  36.991  6.7185  -11.78583      12.62348  
1 1 1 -10 26  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 27  1  f 859.159 46.669  420974.09  43265.42 420974.09  43265.42 0.0000     0.0000   859.159 46.669  ?       ?       0.000000       46.66909  
1 1 1 -10 27  2  o 293.054 5.2140  46538.54   1654.95  47467.01   1909.67  43737.82   3316.71  295.934 5.9579  283.803 10.790  12.13156       12.32560  
1 1 1 -10 27  3  o 118.562 3.3675  7614.71    432.435  7865.06    766.686  7497.91    523.685  120.462 5.8762  117.642 4.1100  2.820175       7.170896  
1 1 1 -10 27  4  o 315.987 9.1399  54187.34   3128.10  54232.98   3781.76  54088.47   5566.28  315.966 11.051  314.543 16.395  1.422882       19.77177  
1 1 1 -10 27  5  o 207.529 5.5939  23343.51   1257.37  22407.47   1774.52  24287.32   1781.87  203.234 8.0615  211.600 7.7748  -8.366348      11.19981  
1 1 1 -10 27  6  o 413.996 9.9009  93083.02   4439.57  90285.92   6275.71  95885.08   6281.29  407.112 14.232  419.616 13.821  -12.50397      19.83864  
1 1 1 -10 27  7  o 254.101 5.4646  34999.75   1503.94  36414.84   1839.99  32151.46   2610.46  259.133 6.5558  243.278 9.9070  15.85460       11.87970  
1 1 1 -10 27  8  o 494.171 8.9867  132628.09  4810.04  130180.90  6293.05  136066.59  7459.61  489.070 11.880  499.573 13.786  -10.50330      18.19884  
1 1 1 -10 27  9  o 398.121 6.7464  85992.53   2909.09  86401.00   4113.70  85583.92   4114.45  398.705 9.5260  396.808 9.5733  1.896881       13.50527  
1 1 1 -10 27  10 o 103.535 2.8349  5807.24    317.900  6033.28    449.574  5581.20    449.584  105.512 3.9339  101.479 4.0904  4.032944       5.675117  
1 1 1 -10 27  11 o 417.666 11.695  95128.96   5290.33  97039.09   6336.61  90734.41   9611.32  421.241 13.889  403.793 22.060  17.44879       26.06771  
1 1 1 -10 27  12 o 291.429 5.1416  46062.46   1622.94  44499.57   2295.61  47624.17   2294.75  286.215 7.4052  296.123 7.1547  -9.908173      10.29692  
1 1 1 -10 27  13 o 159.862 3.3737  13849.71   584.146  13599.35   828.649  14097.02   823.589  158.351 4.8315  161.228 4.7163  -2.876953      6.751770  
1 1 1 -10 27  14 f 107.813 2.9365  6298.56    342.903  5938.29    488.812  6647.62    481.153  104.648 4.3126  110.732 4.0118  -6.083366      5.890088  
1 1 1 -10 27  15 o 104.544 2.9264  5922.66    331.357  6560.83    472.913  5307.20    464.421  110.002 3.9693  98.925  4.3345  11.07739       5.877294  
1 1 1 -10 27  16 o 251.575 4.5993  34334.29   1253.23  33810.72   1772.56  34857.60   1772.13  249.426 6.5613  253.272 6.4601  -3.845673      9.207752  
1 1 1 -10 27  17 f 161.708 3.4499  14176.49   604.241  14374.69   858.507  13981.92   850.600  162.747 4.8704  160.507 4.8929  2.240433       6.903648  
1 1 1 -10 27  18 o 145.561 3.2721  11487.30   515.880  10342.01   1029.43  11871.38   596.137  137.676 6.9256  147.951 3.7201  -10.27446      7.861506  
1 1 1 -10 27  19 o 178.792 3.6508  17339.19   706.978  16142.29   1411.37  17740.10   816.847  172.058 7.5735  180.803 4.1712  -8.744812      8.646196  
1 1 1 -10 27  20 o 159.455 3.4377  13793.51   593.715  13838.37   1185.83  13778.50   685.871  159.297 6.8730  159.321 3.9747  -0.2406311E-01 7.939518  
1 1 1 -10 27  21 o 85.020  2.7219  3920.11    250.645  4297.87    403.259  3682.29    319.955  88.935  4.1864  82.357  3.5869  6.578140       5.512856  
1 1 1 -10 27  22 o 39.825  4.1798  872.171    177.605  688.422    353.534  934.200    205.406  34.664  9.2460  41.153  4.6921  -6.489239      10.36844  
1 1 1 -10 27  23 o 84.821  2.9908  3908.48    274.764  3745.66    542.708  3964.60    318.616  82.406  6.1242  85.384  3.4453  -2.977615      7.026789  
1 1 1 -10 27  24 o 100.716 3.0305  5516.18    330.587  4532.77    641.174  5872.27    385.825  90.377  6.5956  103.856 3.4300  -13.47875      7.434149  
1 1 1 -10 27  25 o 157.292 3.4868  13487.48   594.020  14051.58   1198.10  13303.61   684.011  158.991 6.9575  156.038 4.0473  2.953613       8.049013  
1 1 1 -10 27  26 o 33.069  5.9975  624.096    206.903  266.246    453.703  718.056    232.485  26.678  10.567  35.453  6.2845  -8.774792      12.29473  
1 1 1 -10 27  27 o 130.460 3.2964  9298.22    465.785  9651.66    948.993  9186.06    534.611  130.978 6.7120  129.480 3.8121  1.498123       7.719039  
1 1 1 -10 27  28 f 52.920  4.1733  1552.20    237.266  1424.68    509.495  1587.51    268.113  48.174  10.088  53.366  4.6860  -5.191395      11.12324  
1 1 1 -10 27  29 o 23.630  7.5124  322.200    216.251  190.252    457.184  360.230    245.445  24.870  10.324  24.917  8.0122  -0.4614258E-01 13.06810  
1 1 1 -10 27  30 o 55.886  2.5715  1707.54    155.653  1990.50    535.755  1681.45    162.670  56.950  8.9834  55.429  2.7096  1.521324       9.383143  
1 1 1 -10 27  31 o 45.120  5.0888  1171.74    244.341  637.534    509.687  1331.15    278.420  30.931  11.458  47.914  5.4626  -16.98310      12.69335  
1 1 1 -10 27  32 o 22.036  1.4532  265.615    34.488   -237.3708  484.259  268.179    34.575   19.229  9.0480  22.143  1.4497  -2.913879      9.163383  
1 1 1 -10 27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 28  1  o 160.915 3.0675  14026.04   534.631  13147.17   613.508  16799.95   1089.94  155.785 3.6360  176.059 5.7157  -20.27454      6.774230  
1 1 1 -10 28  2  o 433.207 7.9609  101792.60  3735.33  103370.40  4435.83  97946.48   6925.63  436.418 9.3843  424.081 15.078  12.33694       17.75972  
1 1 1 -10 28  3  o 369.370 6.6283  73969.55   2651.76  72578.79   3481.14  75892.20   4093.05  365.725 8.7881  373.861 10.108  -8.135712      13.39415  
1 1 1 -10 28  4  o 111.352 3.2452  6716.69    391.386  7031.59    683.905  6563.33    477.267  113.901 5.5437  110.065 4.0035  3.836189       6.838171  
1 1 1 -10 28  5  o 719.357 16.823  282492.91  13107.22 276414.31  18535.18 288573.09  18537.65 708.582 24.151  724.250 23.632  -15.66785      33.78956  
1 1 1 -10 28  6  o 530.420 15.329  153459.09  8806.68  144773.09  10489.76 174201.59  16210.10 514.256 18.833  561.085 26.674  -46.82886      32.65232  
1 1 1 -10 28  7  o 391.041 11.065  83149.02   4686.45  84056.32   5622.50  81083.99   8482.36  392.828 13.215  383.740 20.482  9.087555       24.37537  
1 1 1 -10 28  8  o 313.974 6.3444  53466.27   2157.50  52759.08   2640.83  54885.70   3741.35  311.770 7.8205  317.654 10.874  -5.884460      13.39447  
1 1 1 -10 28  9  o 552.284 9.9081  165863.00  5926.84  168102.50  7748.34  162704.70  9201.34  555.214 12.885  545.357 15.578  9.856445       20.21581  
1 1 1 -10 28  10 f 237.288 4.3524  30519.73   1118.59  31502.75   1583.18  29539.82   1580.68  240.977 6.0657  233.336 6.2545  7.641174       8.712722  
1 1 1 -10 28  11 o 174.186 5.0358  16452.78   950.063  16023.09   1346.16  16879.21   1341.04  171.775 7.2354  176.319 7.0222  -4.543274      10.08281  
1 1 1 -10 28  12 o 136.815 3.1434  10142.68   465.803  9999.59    657.960  10286.46   659.533  135.807 4.4731  137.743 4.4208  -1.936066      6.289001  
1 1 1 -10 28  13 o 262.562 4.7395  37387.71   1347.84  38597.31   1907.50  36181.57   1904.76  266.595 6.6061  258.094 6.8139  8.500641       9.490454  
1 1 1 -10 28  14 o 269.372 4.8502  39360.88   1415.10  39467.32   2002.78  39254.77   1999.73  269.513 6.8609  268.785 6.8690  0.7277527      9.708555  
1 1 1 -10 28  15 o 241.111 4.4407  31530.25   1159.67  32034.46   1641.56  31027.93   1638.49  242.854 6.2408  238.998 6.3297  3.855865       8.888894  
1 1 1 -10 28  16 o 232.266 4.3430  29261.17   1092.56  28643.75   1546.69  29876.09   1543.55  229.614 6.2192  234.518 6.0768  -4.904312      8.695141  
1 1 1 -10 28  17 f 149.170 3.3231  12062.79   536.907  11924.30   763.207  12198.48   755.456  148.233 4.7537  149.934 4.6520  -1.701096      6.651194  
1 1 1 -10 28  18 o 193.125 3.8159  20229.87   798.187  19862.61   1594.91  20352.59   921.948  190.908 7.7134  193.661 4.3954  -2.753387      8.877780  
1 1 1 -10 28  19 o 99.651  2.8436  5383.17    306.918  4648.77    544.973  5724.30    371.422  92.318  5.4747  102.740 3.3378  -10.42197      6.411954  
1 1 1 -10 28  20 o 179.304 3.6587  17446.71   710.531  18257.21   1420.44  17176.22   820.570  182.888 7.1708  177.844 4.2600  5.044510       8.340744  
1 1 1 -10 28  21 o 143.072 3.2882  11109.51   509.548  11103.86   1011.68  11111.43   589.824  142.575 6.5514  143.031 3.8073  -0.4562683     7.577342  
1 1 1 -10 28  22 o 75.482  3.0210  3093.16    246.983  3032.74    492.682  3113.44    285.440  74.201  6.1868  75.699  3.4814  -1.497894      7.099041  
1 1 1 -10 28  23 o 46.393  3.8662  1179.94    192.500  1310.00    368.114  1130.98    225.841  48.213  7.2757  45.284  4.6716  2.928726       8.646375  
1 1 1 -10 28  24 o 17.377  1.5946  165.093    29.678   162.516    30.006   280.909    201.174  17.236  1.6265  22.699  7.2490  -5.462399      7.429197  
1 1 1 -10 28  25 o 100.237 3.1617  5471.78    343.261  6770.35    708.423  5073.35    392.403  110.573 5.9370  96.408  3.7579  14.16482       7.026362  
1 1 1 -10 28  26 o 48.312  4.3207  1290.02    223.702  1610.95    481.718  1201.79    252.590  52.572  8.7689  46.428  5.1074  6.143505       10.14785  
1 1 1 -10 28  27 o 18.141  7.0257  126.041    196.792  249.883    432.625  93.731     220.977  25.823  10.290  18.111  7.3064  7.712585       12.62032  
1 1 1 -10 28  28 o 40.938  5.0663  944.257    219.842  575.132    476.448  1044.10    247.798  31.602  11.163  42.952  5.4490  -11.35012      12.42165  
1 1 1 -10 28  29 o 40.125  5.4545  918.346    230.906  1080.95    486.171  870.983    262.390  41.067  10.790  38.665  6.4959  2.402203       12.59433  
1 1 1 -10 28  30 o 46.157  2.4701  1167.40    123.038  1664.36    512.827  1137.04    126.739  51.537  9.5384  45.526  2.5809  6.010807       9.881434  
1 1 1 -10 28  31 o 17.700  7.2252  104.653    219.057  -173.0131  466.704  183.110    248.082  20.008  9.2334  20.019  7.8505  -0.1042366E-01 12.11964  
1 1 1 -10 28  32 o 44.097  6.1595  1177.99    286.160  821.179    527.370  1326.88    340.675  32.374  11.709  46.128  7.0419  -13.75413      13.66305  
1 1 1 -10 28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 29  1  o 701.708 16.423  268540.81  12481.83 279522.19  17652.30 257560.30  17651.64 713.578 22.840  684.573 23.806  29.00470       32.99089  
1 1 1 -10 29  2  o 811.955 17.687  359979.69  15554.07 360389.81  17060.30 357960.31  37860.01 811.740 19.404  791.671 44.332  20.06854       48.39250  
1 1 1 -10 29  3  o 365.776 7.3531  72561.33   2913.09  72332.93   4119.53  72789.77   4119.92  364.930 10.422  366.084 10.391  -1.153839      14.71698  
1 1 1 -10 29  4  o 94.317  2.7232  4818.46    278.192  4630.25    390.429  5012.56    396.485  92.446  3.8993  96.188  3.8057  -3.741821      5.448649  
1 1 1 -10 29  5  o 401.410 6.8285  87381.97   2968.84  90369.08   4198.31  84394.10   4198.84  407.948 9.5017  394.193 9.8345  13.75464       13.67473  
1 1 1 -10 29  6  o 245.612 6.3635  32711.76   1692.83  32628.16   2391.93  32795.67   2396.12  245.138 9.0088  245.767 9.0015  -0.6289825     12.73523  
1 1 1 -10 29  7  o 254.858 6.5580  35228.45   1810.24  34969.28   2557.22  35488.77   2562.93  253.724 9.3054  255.606 9.2575  -1.881683      13.12604  
1 1 1 -10 29  8  o 520.331 12.344  147497.59  6956.69  149716.50  9837.38  145277.91  9839.12  522.709 17.376  514.808 17.646  7.900818       24.76483  
1 1 1 -10 29  9  o 177.136 5.0930  17011.65   977.133  17828.04   1380.32  16191.58   1383.43  181.243 7.0315  172.704 7.3958  8.538345       10.20491  
1 1 1 -10 29  10 o 295.601 5.0693  47380.36   1623.04  48216.85   2298.47  46548.44   2292.19  298.017 7.1208  292.805 7.2277  5.212402       10.14621  
1 1 1 -10 29  11 o 361.498 8.8173  71064.95   3452.31  69778.02   4882.42  72351.77   4882.18  357.436 12.611  364.023 12.383  -6.587524      17.67429  
1 1 1 -10 29  12 o 199.887 3.8648  21656.82   836.728  20977.50   1181.55  22340.20   1185.08  196.636 5.5478  202.932 5.3917  -6.296478      7.736187  
1 1 1 -10 29  13 o 238.312 4.3347  30793.88   1118.87  30607.44   1583.76  30979.64   1580.88  237.441 6.1583  238.885 6.1100  -1.443954      8.675079  
1 1 1 -10 29  14 o 345.364 5.9724  64758.84   2234.08  63495.22   3160.45  66020.88   3158.50  341.525 8.5439  348.287 8.3729  -6.761993      11.96256  
1 1 1 -10 29  15 o 148.970 3.2894  12028.16   530.750  11479.68   753.217  12569.06   747.999  145.466 4.7807  152.225 4.5368  -6.759064      6.590672  
1 1 1 -10 29  16 o 158.986 3.4185  13702.05   588.659  12986.59   835.554  14407.10   829.457  154.694 4.9869  162.954 4.6996  -8.260010      6.852381  
1 1 1 -10 29  17 o 184.783 3.7213  18515.44   744.778  18906.31   1056.46  18129.25   1050.11  186.605 5.2271  182.723 5.3061  3.882172       7.448301  
1 1 1 -10 29  18 o 114.071 3.0226  7053.69    373.445  7087.30    744.481  7042.39    431.684  114.014 6.0504  113.960 3.4974  0.5390167E-01  6.988477  
1 1 1 -10 29  19 o 72.641  3.0890  2861.10    243.032  2897.03    483.026  2848.93    281.220  72.701  6.1933  72.471  3.5827  0.2302094      7.154925  
1 1 1 -10 29  20 o 144.286 3.2778  11293.62   512.245  12532.89   1023.58  10879.55   591.665  151.656 6.2315  141.569 3.8587  10.08662       7.329474  
1 1 1 -10 29  21 o 134.211 3.1979  9775.96    464.862  8765.61    983.643  10066.51   527.485  126.328 7.2189  136.154 3.5769  -9.825722      8.056499  
1 1 1 -10 29  22 o 71.290  3.0520  2759.56    235.657  3170.16    469.608  2621.36    272.445  75.943  5.7519  69.349  3.6399  6.594597       6.806846  
1 1 1 -10 29  23 o 179.091 3.6244  17456.38   703.045  15418.33   1398.99  18144.97   813.186  166.841 7.7418  182.458 4.1149  -15.61746      8.767445  
1 1 1 -10 29  24 o 17.308  6.4824  125.436    164.030  175.112    297.187  103.673    196.706  22.050  8.6075  17.749  6.9808  4.301399       11.08245  
1 1 1 -10 29  25 o 95.946  3.1694  5014.10    329.365  5574.32    681.232  4843.19    376.265  100.130 6.3138  94.201  3.6878  5.929245       7.311885  
1 1 1 -10 29  26 o 52.625  1.9211  1503.65    109.501  1542.19    164.699  1473.13    146.592  53.135  2.8725  52.033  2.6011  1.102062       3.875197  
1 1 1 -10 29  27 o 18.495  1.5942  187.015    31.624   188.359    31.948   121.841    222.490  18.561  1.6050  18.761  7.4098  -0.2002640     7.581658  
1 1 1 -10 29  28 o 31.192  6.4209  567.428    209.692  -0.0039    456.721  718.988    236.041  22.642  9.8788  35.206  6.4271  -12.56328      11.78552  
1 1 1 -10 29  29 o 64.670  3.7185  2310.99    259.363  2776.55    551.561  2178.81    293.882  68.906  7.5121  62.551  4.3652  6.354717       8.688305  
1 1 1 -10 29  30 o 51.701  4.3532  1498.89    241.497  1652.63    521.703  1456.97    272.444  51.086  9.7849  50.681  5.0297  0.4055595      11.00193  
1 1 1 -10 29  31 o 18.914  1.4959  195.868    30.395   -403.7508  474.076  198.343    30.458   18.247  8.6928  19.035  1.4892  -0.7876415     8.819444  
1 1 1 -10 29  32 o 51.294  5.4316  1553.68    297.169  1760.19    546.295  1466.90    354.150  49.522  10.510  48.633  6.9184  0.8883781      12.58289  
1 1 1 -10 29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 30  1  f 162.829 3.7113  14363.69   654.533  14607.90   719.736  13196.13   1573.75  164.201 4.0469  155.630 9.3801  8.570694       10.21584  
1 1 1 -10 30  2  o 315.151 5.4090  53831.03   1846.31  53199.46   2251.18  55128.82   3227.02  313.233 6.6355  318.670 9.3496  -5.436920      11.46489  
1 1 1 -10 30  3  o 345.373 6.4296  64673.91   2405.15  62824.30   3159.74  67221.88   3708.60  340.242 8.5742  351.843 9.7318  -11.60049      12.97011  
1 1 1 -10 30  4  o 466.072 7.8031  117851.00  3939.03  121577.90  5570.53  114123.70  5570.72  472.981 10.874  458.200 11.225  14.78189       15.62821  
1 1 1 -10 30  5  o 864.193 14.278  407045.09  13364.27 403458.09  18899.54 410632.41  18900.34 857.560 20.348  865.249 20.168  -7.689026      28.64910  
1 1 1 -10 30  6  o 215.234 4.0675  25101.93   948.223  25633.90   1341.09  24570.12   1340.89  217.445 5.6943  212.880 5.8155  4.564682       8.139109  
1 1 1 -10 30  7  o 702.602 16.539  270058.00  12586.24 280251.41  17798.88 259862.91  17800.38 712.354 23.069  685.418 23.977  26.93591       33.27301  
1 1 1 -10 30  8  o 361.093 10.252  70917.91   4009.72  71964.08   4823.66  68578.50   7213.25  363.411 12.255  352.769 18.948  10.64227       22.56568  
1 1 1 -10 30  9  o 190.243 5.3363  19625.63   1099.56  19387.51   1558.35  19861.71   1551.69  188.957 7.6143  191.262 7.4904  -2.305130      10.68102  
1 1 1 -10 30  10 o 284.155 7.1899  43841.30   2212.83  41832.45   3131.18  45845.62   3127.65  277.171 10.430  290.233 9.9495  -13.06204      14.41457  
1 1 1 -10 30  11 o 244.631 6.3638  32480.89   1686.15  30665.40   2385.11  34294.78   2384.05  237.399 9.2759  251.118 8.7653  -13.71913      12.76219  
1 1 1 -10 30  12 o 139.337 3.2738  10521.05   494.068  10193.69   714.865  10820.42   683.617  137.100 4.8141  141.266 4.4679  -4.165543      6.567935  
1 1 1 -10 30  13 f 279.318 4.9666  42320.49   1502.56  39191.50   2123.40  45458.58   2126.48  268.539 7.3005  289.283 6.7869  -20.74442      9.967912  
1 1 1 -10 30  14 o 227.100 4.2110  27966.25   1035.78  27639.93   1467.19  28290.45   1462.45  225.622 6.0039  228.270 5.9151  -2.648361      8.428265  
1 1 1 -10 30  15 o 46.969  2.0651  1195.11    105.056  1208.87    118.334  1143.90    228.256  47.237  2.3129  45.682  4.6792  1.554352       5.219673  
1 1 1 -10 30  16 o 102.034 2.9265  5642.17    323.415  5460.32    464.408  5813.41    450.658  100.335 4.2735  103.537 4.0187  -3.202560      5.866176  
1 1 1 -10 30  17 o 302.543 5.3307  49706.27   1746.81  49002.22   2472.46  50407.93   2468.27  299.966 7.6101  304.264 7.4898  -4.298706      10.67757  
1 1 1 -10 30  18 o 96.855  3.1948  5085.97    335.148  5082.59    522.966  5088.33    436.586  96.615  5.0148  96.840  4.1624  -0.2251205     6.517232  
1 1 1 -10 30  19 o 204.430 3.9643  22679.72   877.768  22845.48   1754.97  22624.42   1013.67  204.538 7.9218  204.109 4.5853  0.4292297      9.153134  
1 1 1 -10 30  20 o 120.193 3.0706  7835.77    399.732  7530.80    800.063  7937.22    461.455  117.366 6.3171  120.938 3.5229  -3.572807      7.232966  
1 1 1 -10 30  21 o 126.795 3.1183  8725.34    428.240  8646.20    853.166  8752.00    495.132  125.806 6.2613  126.942 3.6012  -1.136353      7.223021  
1 1 1 -10 30  22 o 82.342  2.4732  3678.54    220.569  3873.83    526.828  3637.03    242.881  83.957  5.8296  81.859  2.7394  2.097519       6.441195  
1 1 1 -10 30  23 o 36.282  2.2394  717.010    87.572   631.793    95.981   1140.41    213.942  34.009  2.6260  45.509  4.3950  -11.50020      5.119794  
1 1 1 -10 30  24 o 96.762  3.0691  5093.79    321.648  4372.58    611.054  5370.22    378.300  88.759  6.3991  99.282  3.5180  -10.52323      7.302402  
1 1 1 -10 30  25 o 66.822  2.6662  2428.26    192.964  3017.55    541.116  2342.40    206.543  73.330  6.8940  65.604  2.9068  7.725479       7.481718  
1 1 1 -10 30  26 o 50.773  4.1550  1422.23    226.492  1902.37    485.791  1288.87    256.021  57.495  8.0192  48.118  4.9847  9.377380       9.442229  
1 1 1 -10 30  27 o 92.646  3.2344  4690.46    324.552  3985.46    669.375  4907.14    371.089  83.498  7.4808  94.654  3.6197  -11.15586      8.310522  
1 1 1 -10 30  28 o 29.997  1.0867  487.891    35.305   424.226    51.048   546.265    48.881   27.895  1.6977  31.726  1.4225  -3.831350      2.214852  
1 1 1 -10 30  29 o 31.820  2.3064  554.818    78.947   516.716    83.343   887.651    246.324  30.664  2.5321  39.224  5.9878  -8.560629      6.501203  
1 1 1 -10 30  30 o 54.718  4.1806  1674.60    245.893  2274.46    527.311  1507.92    277.965  61.343  8.1373  51.536  5.0445  9.807461       9.574076  
1 1 1 -10 30  31 o 19.108  7.4451  169.495    222.017  23.909     474.317  210.342    251.240  21.910  9.7876  20.564  7.9456  1.345924       12.60672  
1 1 1 -10 30  32 o 22.144  8.7245  268.544    307.741  0.0000     0.0000   268.544    307.741  ?       ?       22.144  8.7245  0.000000       8.724493  
1 1 1 -10 30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 31  1  o 471.373 8.4982  120582.30  4338.72  117308.40  5153.62  128549.60  8039.63  464.709 10.239  485.556 15.287  -20.84708      18.39934  
1 1 1 -10 31  2  o 301.465 5.9677  49268.52   1948.55  48896.38   2995.48  49541.50   2565.55  300.107 9.2155  302.184 7.8386  -2.077484      12.09832  
1 1 1 -10 31  3  o 449.394 8.1570  109588.90  3970.34  107363.00  5198.91  112703.70  6149.98  444.471 10.799  455.125 12.476  -10.65375      16.50076  
1 1 1 -10 31  4  o 524.263 8.9822  149223.91  5100.39  149287.59  7212.48  149160.30  7213.59  523.710 12.715  523.486 12.723  0.2248535      17.98727  
1 1 1 -10 31  5  o 380.723 7.0512  78627.88   2907.66  79346.08   4491.77  78109.84   3814.78  382.026 10.856  379.237 9.2873  2.789246       14.28628  
1 1 1 -10 31  6  o 178.182 3.4459  17200.97   665.016  16722.38   938.841  17682.91   942.118  175.646 4.9349  180.624 4.8157  -4.977859      6.895259  
1 1 1 -10 31  7  o 336.213 5.7859  61296.96   2106.94  59807.72   2978.46  62788.63   2980.88  331.875 8.2860  340.066 8.0930  -8.191040      11.58255  
1 1 1 -10 31  8  o 451.767 8.7598  110894.80  4286.29  114496.60  7425.21  109094.70  5249.21  457.589 14.982  447.695 10.825  9.893982       18.48352  
1 1 1 -10 31  9  o 293.005 7.3279  46612.43   2325.55  44862.84   3286.97  48366.00   3290.70  287.056 10.572  298.109 10.192  -11.05286      14.68456  
1 1 1 -10 31  10 o 137.944 4.4711  10315.68   668.019  10317.62   941.936  10313.71   947.531  137.887 6.3071  137.859 6.3458  0.2786255E-01  8.947010  
1 1 1 -10 31  11 o 400.841 9.6980  87474.41   4210.41  85637.10   5955.83  89309.98   5953.00  395.509 13.903  403.994 13.605  -8.484924      19.45224  
1 1 1 -10 31  12 o 85.251  3.3112  3938.57    305.741  3763.58    378.657  4266.36    518.242  83.211  4.2151  88.510  5.4322  -5.299004      6.875749  
1 1 1 -10 31  13 o 113.669 2.9971  7001.51    368.995  6717.97    518.024  7293.56    525.738  111.308 4.2969  115.982 4.1851  -4.674156      5.998210  
1 1 1 -10 31  14 o 170.020 3.5386  15668.92   651.634  15609.88   877.318  15741.57   973.226  169.635 4.7750  170.317 5.2758  -0.6824951     7.115764  
1 1 1 -10 31  15 o 119.786 2.9969  7776.16    388.822  7829.22    557.273  7725.83    542.767  120.149 4.2823  119.357 4.1985  0.7925491      5.997134  
1 1 1 -10 31  16 o 101.146 2.9301  5544.54    320.995  5594.05    460.665  5497.82    447.531  101.557 4.1880  100.683 4.1039  0.8742065      5.863560  
1 1 1 -10 31  17 o 114.502 3.0247  7106.61    375.115  7262.52    538.140  6959.26    523.162  115.698 4.2944  113.258 4.2648  2.439896       6.052272  
1 1 1 -10 31  18 o 48.971  3.6633  1307.97    192.899  1585.71    290.254  1088.26    258.158  53.801  5.0398  44.419  5.4823  9.381439       7.446778  
1 1 1 -10 31  19 o 45.175  3.8969  1115.66    188.807  1140.41    368.987  1106.88    219.755  45.063  7.8450  44.913  4.5816  0.1496353      9.084840  
1 1 1 -10 31  20 o 105.261 2.9907  6009.77    340.965  6294.76    680.611  5914.29    393.967  107.330 5.8771  104.393 3.4843  2.937675       6.832308  
1 1 1 -10 31  21 o 61.400  3.3323  2052.90    220.775  2439.00    426.996  1912.02    257.926  66.569  5.9862  59.169  4.0490  7.400066       7.227000  
1 1 1 -10 31  22 o 67.695  3.0800  2489.08    225.827  2639.70    447.354  2437.57    261.605  69.171  6.0315  66.856  3.6263  2.315277       7.037683  
1 1 1 -10 31  23 o 58.796  3.3328  1886.58    211.367  1883.46    405.682  1887.75    247.635  58.117  6.5596  58.729  3.9154  -0.6120796     7.639295  
1 1 1 -10 31  24 o 97.790  3.1064  5203.60    329.023  5108.21    685.538  5232.16    375.043  95.861  6.6436  97.989  3.5337  -2.127777      7.524963  
1 1 1 -10 31  25 o 30.655  6.4943  540.590    208.921  512.162    436.546  549.036    237.939  30.818  10.699  30.761  7.2587  0.5715752E-01  12.92879  
1 1 1 -10 31  26 o 49.348  4.3767  1347.15    231.500  1415.49    480.749  1326.52    264.141  48.880  9.4223  48.791  5.0726  0.8927917E-01  10.70096  
1 1 1 -10 31  27 o 73.126  3.5203  2927.73    278.816  3272.08    573.284  2821.05    319.097  75.787  7.0654  71.520  4.1370  4.267136       8.187493  
1 1 1 -10 31  28 o 62.937  3.8625  2187.16    262.022  2619.86    539.097  2053.32    299.817  67.196  7.5371  60.732  4.5919  6.464516       8.825696  
1 1 1 -10 31  29 o 33.393  1.5996  605.841    57.855   615.770    59.627   446.114    239.154  33.663  1.6354  27.269  7.7383  6.394180       7.909185  
1 1 1 -10 31  30 o 37.673  2.1257  776.596    86.381   761.487    91.841   892.465    254.332  37.273  2.2860  39.000  6.2307  -1.726475      6.636851  
1 1 1 -10 31  31 o 28.352  7.2008  504.944    221.542  -40.4088   483.866  649.592    249.197  21.332  9.6756  32.166  7.3178  -10.83380      12.13125  
1 1 1 -10 31  32 o 19.004  1.9268  199.596    39.112   0.0000     0.0000   199.596    39.112   ?       ?       19.004  1.9268  0.000000       1.926797  
1 1 1 -10 31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 32  1  o 51.833  2.3844  1455.22    133.861  1223.25    171.647  1815.30    213.853  47.399  3.3653  57.784  3.4323  -10.38537      4.806913  
1 1 1 -10 32  2  o 582.810 9.7200  184488.70  6135.72  187040.20  8677.11  181937.20  8677.33  585.986 13.672  577.890 13.863  8.096191       19.47064  
1 1 1 -10 32  3  o 513.492 8.6997  143137.80  4838.44  135625.30  6841.76  150653.91  6843.42  499.165 12.655  526.228 12.007  -27.06314      17.44440  
1 1 1 -10 32  4  o 393.576 6.6300  84009.86   2826.27  84264.39   3996.41  83755.18   3997.50  393.885 9.3676  392.690 9.3987  1.195740       13.26984  
1 1 1 -10 32  5  o 258.157 4.9642  36123.15   1388.05  36239.23   1835.78  35968.20   2120.95  258.488 6.5571  257.452 7.6061  1.035797       10.04234  
1 1 1 -10 32  6  o 57.340  2.1138  1780.89    131.277  1923.28    238.365  1718.89    157.278  59.462  3.7198  56.331  2.5778  3.130672       4.525728  
1 1 1 -10 32  7  o 79.097  2.7355  3389.18    234.353  3475.03    326.388  3297.81    336.704  80.082  3.7630  77.907  4.0038  2.174461       5.494576  
1 1 1 -10 32  8  o 307.072 5.4479  51133.39   1811.91  50052.96   2561.19  52215.93   2563.68  303.597 7.7889  310.104 7.6328  -6.507263      10.90533  
1 1 1 -10 32  9  o 86.199  3.2126  4025.90    299.937  4001.08    527.089  4037.79    364.751  85.696  5.7115  86.315  3.9016  -0.6196136     6.916877  
1 1 1 -10 32  10 o 231.803 6.1069  29156.85   1533.25  29497.40   2167.02  28815.46   2169.66  232.926 8.5896  230.206 8.7017  2.720078       12.22709  
1 1 1 -10 32  11 o 292.447 7.3327  46462.05   2322.63  47210.16   3288.50  45717.40   3280.90  294.341 10.315  289.625 10.459  4.715942       14.68983  
1 1 1 -10 32  12 o 220.743 5.8954  26447.19   1409.51  26066.66   1995.19  26826.33   1991.52  218.897 8.4154  222.080 8.2795  -3.182831      11.80548  
1 1 1 -10 32  13 o 143.817 3.8755  11212.75   603.679  11313.22   710.714  10952.48   1143.86  144.431 4.5432  141.741 7.4773  2.690002       8.749350  
1 1 1 -10 32  14 o 118.060 3.0870  7553.63    394.741  7460.89    560.100  7645.16    556.414  117.290 4.4090  118.732 4.3267  -1.442787      6.177322  
1 1 1 -10 32  15 o 230.121 4.2662  28720.60   1063.34  29002.75   1502.51  28437.48   1505.07  231.082 6.0032  228.811 6.0731  2.270828       8.539340  
1 1 1 -10 32  16 o 121.302 3.1057  7975.38    408.030  8330.54    575.488  7616.36    578.608  123.925 4.2875  118.484 4.5087  5.441330       6.221864  
1 1 1 -10 32  17 o 17.066  6.2839  124.462    152.887  258.989    232.454  21.902     202.964  22.808  7.8130  16.313  6.8339  6.494526       10.38003  
1 1 1 -10 32  18 o 150.929 3.3203  12352.26   542.783  12682.02   774.481  12033.94   760.920  152.833 4.6787  148.874 4.7190  3.959564       6.645229  
1 1 1 -10 32  19 o 37.105  2.2153  748.789    88.626   644.370    100.372  1118.23    188.797  34.369  2.7185  45.225  3.8922  -10.85651      4.747569  
1 1 1 -10 32  20 o 167.195 3.4948  15172.65   632.870  16249.93   1266.46  14814.10   730.636  172.497 6.7786  165.141 4.0849  7.356720       7.914255  
1 1 1 -10 32  21 o 66.678  3.1028  2413.44    224.081  2119.32    446.287  2512.59    259.110  61.853  6.7723  67.919  3.5345  -6.065807      7.639136  
1 1 1 -10 32  22 o 44.789  3.7700  1099.05    181.183  1197.58    357.883  1065.09    210.096  46.061  7.4261  43.981  4.4726  2.079689       8.669008  
1 1 1 -10 32  23 o 100.030 2.8550  5437.32    309.323  4785.35    538.806  5757.83    377.780  93.294  5.3547  102.864 3.3908  -9.570358      6.337995  
1 1 1 -10 32  24 o 130.665 3.1836  9293.51    450.557  10835.34   922.036  8809.86    516.411  140.146 6.0743  127.093 3.7515  13.05284       7.139391  
1 1 1 -10 32  25 o 92.296  3.1754  4642.39    317.427  5130.83    657.842  4494.15    362.408  95.928  6.3677  90.710  3.6887  5.217735       7.358907  
1 1 1 -10 32  26 o 77.073  2.7479  3234.98    229.386  3261.67    333.484  3211.02    316.022  77.047  4.0101  76.590  3.8096  0.4571686      5.531113  
1 1 1 -10 32  27 o 24.866  7.1010  359.510    200.734  337.960    438.307  365.230    225.807  27.237  10.503  25.151  7.6263  2.085627       12.97964  
1 1 1 -10 32  28 o 59.716  3.8599  1970.54    248.316  1572.68    530.136  2082.36    281.055  50.499  10.046  61.262  4.2623  -10.76251      10.91278  
1 1 1 -10 32  29 o 26.629  7.1196  423.210    209.309  390.487    457.644  431.865    235.368  27.792  10.728  26.848  7.6965  0.9446011      13.20315  
1 1 1 -10 32  30 o ?       ?       -413.7352  30.722   -423.3362  31.005   104.581    227.809  ?       ?       18.120  7.3792  0.000000       7.379182  
1 1 1 -10 32  31 o 38.704  2.0436  821.652    85.364   819.442    90.435   839.723    258.555  38.620  2.1708  37.016  6.6955  1.604660       7.038620  
1 1 1 -10 32  32 o 13.182  6.4019  -393.4315  287.739  0.0000     0.0000   -393.4315  287.739  ?       ?       13.182  6.4019  0.000000       6.401895  
1 1 1 -10 32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 33  1  o 313.534 5.4172  53287.58   1839.63  52432.29   2601.25  54143.36   2602.02  310.854 7.7260  315.895 7.6050  -5.040985      10.84097  
1 1 1 -10 33  2  o 470.179 7.7551  119957.20  3949.32  123571.10  5585.21  116343.40  5585.17  476.763 10.816  462.554 11.148  14.20844       15.53278  
1 1 1 -10 33  3  o 487.271 7.8145  128848.00  4124.23  124065.50  5831.75  133633.09  5833.33  477.610 11.273  495.760 10.864  -18.14987      15.65593  
1 1 1 -10 33  4  o 159.523 3.5276  13787.26   609.502  14638.48   860.797  12931.39   863.140  164.342 4.8360  154.454 5.1596  9.888275       7.071596  
1 1 1 -10 33  5  o 206.846 4.1475  23185.28   929.179  23397.71   1239.47  22912.71   1403.96  207.740 5.5087  205.539 6.3065  2.200607       8.373634  
1 1 1 -10 33  6  o 219.188 4.3746  26037.96   1038.54  25477.99   1381.16  26766.48   1575.36  216.751 5.8832  222.127 6.5480  -5.376434      8.802749  
1 1 1 -10 33  7  f 134.786 3.0173  9842.34    440.481  9501.45    621.760  10185.82   624.115  132.403 4.3357  137.092 4.2032  -4.688782      6.038639  
1 1 1 -10 33  8  o 125.048 3.0243  8471.92    409.613  8413.55    570.988  8533.80    587.945  124.591 4.2313  125.476 4.3262  -0.8847809     6.051429  
1 1 1 -10 33  9  o 230.719 4.1384  28852.49   1034.16  27928.33   1461.72  29778.68   1463.32  226.888 5.9481  234.296 5.7664  -7.408173      8.284415  
1 1 1 -10 33  10 o 135.101 3.8222  9892.46    559.290  11132.40   918.532  9161.88    705.061  143.238 5.9206  129.979 5.0082  13.25853       7.754731  
1 1 1 -10 33  11 o 324.296 8.0098  57174.90   2813.42  54886.29   3978.03  59465.23   3979.52  317.071 11.584  330.134 11.129  -13.06326      16.06368  
1 1 1 -10 33  12 o 208.232 5.6671  23531.10   1278.15  21220.89   1808.51  25836.56   1806.64  197.493 8.4547  218.006 7.6513  -20.51367      11.40280  
1 1 1 -10 33  13 o 211.195 5.6980  24210.46   1303.41  24929.73   1853.35  23506.58   1833.40  214.073 7.9933  207.855 8.1438  6.217896       11.41114  
1 1 1 -10 33  14 o 195.449 5.4778  20734.71   1159.60  20348.29   1653.51  21108.69   1626.67  193.381 7.8944  196.993 7.6239  -3.611496      10.97480  
1 1 1 -10 33  15 o 223.201 4.2361  27019.21   1024.09  26098.42   1448.64  27939.09   1447.92  219.192 6.1019  226.813 5.8940  -7.621078      8.483650  
1 1 1 -10 33  16 o 135.311 3.1200  9924.13    457.255  10161.22   644.684  9684.11    648.646  136.860 4.3491  133.601 4.4826  3.258942       6.245668  
1 1 1 -10 33  17 o 239.872 4.4276  31224.19   1150.31  29939.23   1627.17  32507.94   1626.40  234.623 6.4031  244.523 6.1410  -9.899857      8.871959  
1 1 1 -10 33  18 o 110.650 3.0173  6637.84    361.606  6831.64    520.272  6456.73    502.944  112.190 4.2816  109.070 4.2574  3.120476       6.038001  
1 1 1 -10 33  19 o 56.393  3.3023  1730.92    200.821  1498.81    401.407  1808.41    231.934  51.898  7.3464  57.606  3.7375  -5.708549      8.242432  
1 1 1 -10 33  20 o 170.040 3.9627  15705.75   729.820  16571.66   1648.79  15494.75   813.897  173.418 8.8070  168.827 4.4510  4.591614       9.867858  
1 1 1 -10 33  21 o 251.371 4.6030  34405.39   1253.22  33134.21   2505.46  34829.56   1447.29  244.561 9.4586  252.697 5.2879  -8.135986      10.83641  
1 1 1 -10 33  22 o 192.510 3.8172  20169.60   795.920  19967.68   1590.64  20237.04   919.280  190.096 7.7256  192.674 4.4051  -2.578171      8.893211  
1 1 1 -10 33  23 o 72.272  3.1465  2840.78    246.298  2612.43    463.602  2930.57    290.719  68.591  6.3112  73.350  3.6594  -4.759392      7.295328  
1 1 1 -10 33  24 f 37.746  1.3402  772.296    54.793   803.492    56.739   340.801    211.018  38.500  1.3607  24.578  7.3544  13.92163       7.479189  
1 1 1 -10 33  25 o 48.049  4.2921  1274.77    221.019  906.612    471.792  1378.28    250.169  38.846  10.815  49.887  4.6848  -11.04148      11.78590  
1 1 1 -10 33  26 o 51.076  4.1276  1439.91    226.387  1339.51    486.516  1467.66    255.764  47.299  9.8181  51.442  4.6403  -4.143528      10.85949  
1 1 1 -10 33  27 o 40.691  1.5358  898.633    67.686   937.519    70.692   470.307    234.617  41.560  1.5705  28.231  7.5332  13.32899       7.695109  
1 1 1 -10 33  28 o 26.557  7.0696  417.572    206.949  173.163    455.212  481.247    232.348  24.717  10.284  28.415  7.4560  -3.698776      12.70256  
1 1 1 -10 33  29 o 34.731  5.9865  700.389    217.063  599.222    474.897  727.106    244.048  31.484  11.142  35.144  6.6551  -3.659325      12.97823  
1 1 1 -10 33  30 o 67.064  3.7269  2501.75    269.643  2983.33    572.664  2364.56    305.646  70.448  7.6269  64.871  4.3757  5.577454       8.792983  
1 1 1 -10 33  31 o 47.955  2.4279  1266.89    125.693  1231.44    141.418  1400.20    274.266  47.153  2.7813  48.960  5.2541  -1.807343      5.944883  
1 1 1 -10 33  32 o 37.329  10.621  1043.97    449.928  0.0000     0.0000   1043.97    449.928  ?       ?       37.329  10.621  0.000000       10.62124  
1 1 1 -10 33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 34  1  o 329.029 5.7891  58696.96   2063.08  58316.33   2917.64  59077.59   2917.65  327.767 8.2186  329.904 8.1654  -2.137390      11.58524  
1 1 1 -10 34  2  o 405.888 6.9493  89369.13   3055.05  90965.13   4320.27  87772.82   4320.71  409.161 9.7487  401.892 9.9260  7.268127       13.91269  
1 1 1 -10 34  3  o 349.279 6.4404  66165.75   2436.44  61886.55   3755.71  69275.30   3201.54  337.406 10.277  357.219 8.2747  -19.81219      13.19428  
1 1 1 -10 34  4  o 593.305 9.7735  191315.91  6280.52  187808.41  8881.51  194824.20  8882.49  586.746 13.975  597.683 13.721  -10.93732      19.58537  
1 1 1 -10 34  5  o 41.778  2.9782  950.333    133.880  1171.04    184.553  705.168    194.509  46.340  3.7080  35.695  5.1826  10.64539       6.372473  
1 1 1 -10 34  6  o 327.967 5.7928  58333.62   2057.73  58899.30   2908.95  57767.06   2911.19  329.324 8.1553  326.133 8.2415  3.190460       11.59446  
1 1 1 -10 34  7  o 224.241 4.1769  27253.07   1014.47  27478.87   1434.10  27026.91   1435.26  225.079 5.8826  223.217 5.9365  1.861877       8.357504  
1 1 1 -10 34  8  o 65.972  2.7889  2357.91    199.279  2571.82    277.648  2130.62    286.193  68.788  3.7407  62.552  4.2494  6.235577       5.661302  
1 1 1 -10 34  9  o 216.511 4.0263  25407.94   944.190  24945.26   1334.62  25871.54   1335.95  214.436 5.7463  218.387 5.6480  -3.951385      8.057282  
1 1 1 -10 34  10 o 218.562 4.7831  25903.09   1132.29  26307.78   1956.83  25699.39   1388.31  219.984 8.2128  217.628 5.8898  2.356796       10.10644  
1 1 1 -10 34  11 o 551.699 10.545  165972.09  6301.10  161772.91  7716.22  174377.30  10916.74 543.661 13.104  561.857 17.939  -18.19623      22.21535  
1 1 1 -10 34  12 o 312.507 7.7756  53102.73   2631.86  51997.07   3722.63  54207.65   3721.40  308.581 11.138  315.127 10.903  -6.545471      15.58636  
1 1 1 -10 34  13 o 67.892  4.2133  2508.97    308.287  2695.18    452.630  2347.84    421.050  70.199  6.0110  65.486  6.0031  4.713531       8.495286  
1 1 1 -10 34  14 o 238.522 6.3085  30905.37   1629.76  27287.83   2307.58  34505.69   2302.08  223.688 9.5245  251.726 8.4435  -28.03825      12.72828  
1 1 1 -10 34  15 o 254.062 6.5334  35081.22   1797.84  36179.60   2554.52  34003.21   2530.72  257.566 9.1570  249.660 9.3589  7.906036       13.09347  
1 1 1 -10 34  16 f 165.015 3.9943  14768.75   713.894  15438.21   880.511  13484.43   1219.58  168.656 4.8202  157.415 7.1531  11.24043       8.625567  
1 1 1 -10 34  17 o 202.477 3.9168  22238.31   858.967  22105.61   1212.41  22372.04   1217.13  201.706 5.5496  202.919 5.5379  -1.213333      7.840018  
1 1 1 -10 34  18 o 65.177  3.5564  2311.10    250.113  2193.35    350.992  2432.57    356.498  63.325  5.1624  66.734  4.9678  -3.408772      7.164441  
1 1 1 -10 34  19 o 29.591  6.3437  495.317    197.210  653.950    390.412  440.975    228.506  34.150  9.9483  27.927  7.4260  6.223078       12.41426  
1 1 1 -10 34  20 o 77.789  2.9516  3282.83    248.679  3025.01    497.354  3368.78    287.150  74.185  6.2480  78.779  3.3653  -4.594498      7.096711  
1 1 1 -10 34  21 f 110.709 2.9377  6653.03    352.259  6447.91    679.688  6728.36    411.893  108.472 5.8063  111.288 3.4172  -2.816254      6.737202  
1 1 1 -10 34  22 o 58.040  3.2737  1837.08    204.957  1887.83    401.194  1819.16    238.416  58.266  6.4663  57.681  3.8381  0.5852699      7.519597  
1 1 1 -10 34  23 o 54.902  3.4800  1647.68    205.868  1131.55    382.666  1857.90    244.222  44.381  8.2649  58.247  3.8936  -13.86654      9.136133  
1 1 1 -10 34  24 o 70.063  3.4132  2674.97    259.007  2898.65    540.245  2608.22    295.137  71.899  7.0272  68.997  3.9660  2.902359       8.069153  
1 1 1 -10 34  25 o 64.648  2.1173  2269.98    148.251  2031.58    232.342  2433.70    192.540  60.899  3.5377  66.882  2.6579  -5.983109      4.424905  
1 1 1 -10 34  26 o 45.048  2.3129  1106.44    112.471  492.670    473.582  1143.13    115.784  30.554  11.088  45.787  2.3426  -15.23232      11.33324  
1 1 1 -10 34  27 o 76.200  3.3696  3178.68    278.103  3787.10    581.902  2998.57    316.600  81.684  6.6345  73.751  3.9781  7.932983       7.735797  
1 1 1 -10 34  28 o 48.927  2.2249  1303.81    117.908  1303.36    489.041  1303.83    121.492  45.710  10.143  48.919  2.2930  -3.209858      10.39897  
1 1 1 -10 34  29 o 16.649  6.8880  62.509     202.542  431.995    447.580  -32.6401   227.129  28.264  10.682  15.716  6.9088  12.54742       12.72168  
1 1 1 -10 34  30 o 48.242  4.8203  1325.35    248.492  1106.40    517.816  1390.86    283.237  39.839  11.414  49.124  5.4132  -9.285618      12.63299  
1 1 1 -10 34  31 o 36.677  1.5691  733.092    62.334   145.609    489.659  742.769    62.846   23.106  10.151  36.918  1.5717  -13.81276      10.27182  
1 1 1 -10 34  32 o 27.713  1.7112  421.071    51.111   0.0000     0.0000   421.071    51.111   ?       ?       27.713  1.7112  0.000000       1.711156  
1 1 1 -10 34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 35  1  o 357.946 6.4625  69493.98   2505.48  66039.88   3542.95  72949.38   3543.62  348.638 9.3825  366.479 8.9274  -17.84119      12.95110  
1 1 1 -10 35  2  o 154.329 3.4764  12904.24   581.091  12327.88   821.807  13480.55   821.765  150.806 5.0313  157.705 4.8110  -6.899155      6.961281  
1 1 1 -10 35  3  o 850.433 19.954  397642.31  18380.05 389280.50  25992.36 406005.31  25994.28 834.727 28.750  853.023 28.135  -18.29645      40.22578  
1 1 1 -10 35  4  o 406.719 6.9733  89757.27   3071.88  91469.86   4344.02  88044.24   4344.56  410.198 9.7775  402.414 9.9679  7.784424       13.96273  
1 1 1 -10 35  5  o 247.820 4.5794  33288.51   1229.17  33075.47   1737.24  33502.09   1739.37  246.916 6.4959  248.505 6.4623  -1.589569      9.162860  
1 1 1 -10 35  6  o 182.094 3.6267  17967.51   715.284  17895.50   1011.15  18039.63   1011.98  181.675 5.1386  182.406 5.1223  -0.7308044     7.255574  
1 1 1 -10 35  7  o 192.369 3.7673  20054.14   784.933  20988.38   1109.74  19118.81   1110.39  196.738 5.2079  187.760 5.4601  8.978760       7.545524  
1 1 1 -10 35  8  o 299.189 5.2263  48543.56   1693.61  47390.45   2394.83  49697.24   2395.41  295.401 7.4850  302.524 7.3105  -7.123718      10.46277  
1 1 1 -10 35  9  o 51.128  3.0628  1421.44    168.829  1391.33    238.002  1451.94    239.525  50.469  4.3979  51.572  4.3282  -1.102406      6.170454  
1 1 1 -10 35  10 o 213.355 4.6801  24683.38   1081.50  22909.37   1870.08  25574.87   1325.68  205.250 8.4121  217.110 5.6375  -11.86050      10.12650  
1 1 1 -10 35  11 o 246.554 5.1574  32975.98   1377.26  31817.98   1685.39  35303.64   2389.49  242.074 6.4281  254.717 8.6612  -12.64354      10.78592  
1 1 1 -10 35  12 o 295.265 5.1800  47299.96   1656.59  44625.76   2341.60  49979.48   2343.94  286.503 7.5459  303.264 7.1360  -16.76129      10.38574  
1 1 1 -10 35  13 o 214.117 4.7416  24868.85   1099.63  23726.41   1900.46  25443.83   1348.24  208.775 8.4045  216.495 5.7498  -7.719940      10.18307  
1 1 1 -10 35  14 o 328.948 8.0999  58902.71   2885.85  61258.45   4084.32  56554.12   4078.12  334.657 11.268  321.422 11.714  13.23523       16.25402  
1 1 1 -10 35  15 o 54.808  4.7334  1641.99    278.231  2208.21    430.567  1236.05    364.572  63.432  6.3525  47.105  7.3888  16.32671       9.744165  
1 1 1 -10 35  16 o 322.111 7.9787  56538.23   2783.61  57602.38   3942.05  55479.91   3931.22  324.149 11.228  318.057 11.412  6.091705       16.00935  
1 1 1 -10 35  17 o 57.451  4.8445  1804.71    298.638  1429.94    469.792  2058.86    386.862  50.435  8.9268  61.261  5.9035  -10.82650      10.70231  
1 1 1 -10 35  18 o 164.777 3.6754  14730.05   655.950  13862.84   964.999  15474.90   894.332  159.667 5.5801  168.776 4.8924  -9.108154      7.421088  
1 1 1 -10 35  19 o 104.055 3.4295  5875.08    386.509  5498.73    598.395  6144.48    506.290  100.362 5.5262  106.348 4.3954  -5.986092      7.061045  
1 1 1 -10 35  20 o 79.907  3.1584  3465.35    273.350  3756.74    550.682  3370.07    314.882  82.718  6.1914  78.769  3.6908  3.949074       7.208034  
1 1 1 -10 35  21 o 63.729  3.4422  2213.25    236.717  2135.36    479.800  2238.31    272.144  61.917  7.2945  64.028  3.9435  -2.110668      8.292205  
1 1 1 -10 35  22 o 140.279 3.1950  10697.50   485.431  10416.74   963.942  10792.89   561.879  137.616 6.4671  140.815 3.6840  -3.198212      7.442830  
1 1 1 -10 35  23 o 25.359  6.0130  368.000    162.647  302.710    302.378  394.580    192.935  24.864  8.8809  26.228  6.7517  -1.363863      11.15598  
1 1 1 -10 35  24 o 18.065  6.7269  140.951    176.134  -517.8962  413.392  287.084    194.690  16.927  8.0785  22.759  7.1141  -5.832771      10.76439  
1 1 1 -10 35  25 o 54.878  3.8988  1655.51    230.234  1762.54    486.764  1624.66    261.313  55.229  8.4023  54.231  4.4891  0.9974136      9.526349  
1 1 1 -10 35  26 o 44.153  4.5829  1084.43    215.970  1764.46    463.602  895.941    244.071  55.206  7.9854  39.746  5.8441  15.45984       9.895473  
1 1 1 -10 35  27 f 41.773  4.8981  979.312    217.406  1306.72    470.607  890.481    245.131  46.342  9.6878  39.492  5.9127  6.849358       11.34964  
1 1 1 -10 35  28 o 34.381  1.6217  642.124    60.390   653.622    62.484   479.153    235.237  34.685  1.6632  28.310  7.5378  6.374983       7.719121  
1 1 1 -10 35  29 o 32.683  6.3194  628.224    215.607  84.882     468.344  774.342    242.873  23.476  10.124  36.338  6.4050  -12.86162      11.97972  
1 1 1 -10 35  30 f 68.263  3.8313  2602.36    282.129  2472.07    582.312  2642.32    322.509  62.691  8.8198  68.478  4.3711  -5.786774      9.843589  
1 1 1 -10 35  31 o 13.510  6.2154  -110.0340  209.164  197.868    464.961  -188.1518  234.199  23.321  10.072  13.424  6.3089  9.897142       11.88472  
1 1 1 -10 35  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 36  1  o 394.638 6.6122  84486.12   2826.27  85127.90   3997.06  83844.41   3996.82  395.798 9.3239  392.793 9.3947  3.005310       13.23611  
1 1 1 -10 36  2  o 187.264 3.7041  19001.34   751.286  19019.03   1061.89  18983.61   1063.07  187.300 5.2345  187.125 5.2451  0.1749420      7.410206  
1 1 1 -10 36  3  o 295.514 5.2065  47344.94   1666.46  47747.89   2356.09  46941.54   2357.37  296.608 7.3339  294.087 7.4009  2.521027       10.41918  
1 1 1 -10 36  4  o 36.588  2.5216  728.618    99.319   554.759    114.921  1241.70    197.421  31.819  3.3867  47.714  3.8530  -15.89496      5.129855  
1 1 1 -10 36  5  o 169.288 3.4236  15528.04   627.744  14982.82   886.145  16077.28   889.392  166.243 4.9214  172.214 4.7682  -5.970490      6.852461  
1 1 1 -10 36  6  o 354.245 6.0588  68075.73   2324.69  68946.49   3287.29  67204.65   3287.92  356.206 8.5205  351.662 8.6323  4.543976       12.12912  
1 1 1 -10 36  7  o 300.190 5.6915  48879.21   1850.53  48740.23   2436.87  49068.53   2844.16  299.586 7.5100  300.446 8.7401  -0.8598938     11.52345  
1 1 1 -10 36  8  o 231.505 4.2026  29051.07   1053.79  28336.22   1488.65  29769.06   1491.92  228.529 6.0142  234.245 5.8804  -5.716339      8.411304  
1 1 1 -10 36  9  o 264.398 4.7342  37905.49   1355.74  37362.78   1915.43  38450.32   1919.19  262.330 6.7414  266.128 6.6582  -3.798798      9.475113  
1 1 1 -10 36  10 o 269.701 6.2146  39484.11   1815.36  42318.21   2862.62  37577.63   2347.85  278.779 9.4806  262.875 8.2462  15.90439       12.56505  
1 1 1 -10 36  11 o 248.310 5.1562  33448.70   1386.73  32291.03   1696.89  35776.33   2406.13  243.859 6.4246  256.401 8.6642  -12.54231      10.78628  
1 1 1 -10 36  12 o 177.075 3.5976  16996.06   689.982  17146.39   975.138  16845.34   976.428  177.778 5.0643  176.207 5.1162  1.570831       7.198768  
1 1 1 -10 36  13 o 195.960 3.8620  20818.90   819.699  20705.24   1157.46  20933.25   1161.00  195.315 5.4715  196.388 5.4582  -1.073486      7.728416  
1 1 1 -10 36  14 o 157.943 3.4424  13522.37   588.882  12343.41   823.782  14754.43   842.130  150.819 5.0430  164.913 4.7147  -14.09416      6.903613  
1 1 1 -10 36  15 o 42.947  5.5854  1018.38    253.662  823.081    394.366  1156.19    331.287  38.094  9.5703  45.598  6.9257  -7.503998      11.81336  
1 1 1 -10 36  16 o 58.003  4.9541  1839.72    308.251  2506.10    524.212  1487.53    381.102  67.459  7.2905  51.825  6.9657  15.63383       10.08329  
1 1 1 -10 36  17 o 73.059  4.4014  2907.44    346.656  2838.45    529.034  2959.36    458.902  71.879  6.8794  73.555  5.8075  -1.675491      9.002913  
1 1 1 -10 36  18 o 161.445 4.7841  14159.78   836.547  15808.27   1203.17  12617.08   1163.92  170.354 6.5208  152.114 7.0645  18.23975       9.613987  
1 1 1 -10 36  19 o 59.400  5.0144  1932.64    319.592  1580.57    489.378  2194.46    422.010  52.981  8.8395  63.139  6.2532  -10.15745      10.82775  
1 1 1 -10 36  20 o 226.969 4.2452  28013.71   1043.61  26703.88   2084.42  28451.89   1205.60  220.133 8.7424  228.589 4.8694  -8.455780      10.00700  
1 1 1 -10 36  21 o 166.475 3.6868  15070.08   664.768  16331.33   1541.87  14782.11   736.762  171.885 8.2821  164.791 4.1279  7.093643       9.253762  
1 1 1 -10 36  22 o 79.641  3.1348  3448.09    270.410  3100.12    549.447  3559.31    310.634  74.679  6.8700  80.873  3.5463  -6.193924      7.731314  
1 1 1 -10 36  23 o 58.287  3.3183  1855.33    208.618  1949.76    394.276  1818.61    245.853  59.148  6.2491  57.602  3.9648  1.545589       7.400753  
1 1 1 -10 36  24 o 108.128 3.0579  6365.44    358.125  5801.21    751.549  6531.19    407.347  101.935 6.8469  109.451 3.4362  -7.515945      7.660735  
1 1 1 -10 36  25 o 67.767  3.5692  2515.31    261.053  2582.05    532.402  2494.19    299.533  67.442  7.4107  67.354  4.1258  0.8868408E-01  8.481771  
1 1 1 -10 36  26 o 89.509  3.2123  4375.69    311.421  4328.20    643.652  4390.21    355.845  87.488  6.8471  89.542  3.6691  -2.053635      7.768268  
1 1 1 -10 36  27 o 22.381  7.2185  281.043    199.115  422.165    433.953  243.409    224.098  28.493  10.569  21.676  7.6557  6.816952       13.05031  
1 1 1 -10 36  28 o 20.242  7.2381  209.386    200.911  348.609    439.833  172.677    225.850  27.026  10.493  19.834  7.5661  7.191479       12.93643  
1 1 1 -10 36  29 o 3.6183  1.8081  -79.6403   29.278   -82.1231   29.527   65.710     225.923  3.6036  1.8030  17.396  7.2421  -13.79221      7.463206  
1 1 1 -10 36  30 o 28.214  7.1434  492.314    218.507  748.727    481.412  425.783    245.222  32.857  11.244  26.107  7.9544  6.749800       13.77293  
1 1 1 -10 36  31 o 25.229  7.5135  407.096    220.632  242.248    483.766  450.390    247.917  24.082  10.336  26.319  7.9933  -2.237329      13.06600  
1 1 1 -10 36  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 37  1  o 429.622 7.6431  100201.00  3556.52  103682.10  4660.86  95348.83   5502.68  436.669 9.8547  418.314 12.145  18.35446       15.64029  
1 1 1 -10 37  2  o 279.473 5.1821  42345.73   1568.60  41377.98   2217.97  43314.13   2218.71  276.097 7.4169  282.497 7.2513  -6.400116      10.37266  
1 1 1 -10 37  3  o 323.718 5.4926  56824.57   1925.81  56836.57   2723.03  56812.56   2723.99  323.542 7.7705  323.473 7.7749  0.6881714E-01  10.99232  
1 1 1 -10 37  4  o 397.910 6.9337  85928.88   2988.29  89236.14   4225.83  82620.82   4226.33  405.094 9.6313  389.725 10.012  15.36911       13.89278  
1 1 1 -10 37  5  o 299.127 5.3191  48519.93   1723.30  46392.63   2435.82  50651.77   2438.41  292.287 7.6942  305.444 7.3706  -13.15674      10.65492  
1 1 1 -10 37  6  o 173.184 3.4975  16252.31   656.042  16540.94   926.230  15961.72   929.345  174.666 4.8960  171.576 5.0009  3.089706       6.998564  
1 1 1 -10 37  7  o 293.069 5.1721  46576.84   1641.73  46290.11   2320.49  46864.18   2323.03  291.964 7.3380  293.773 7.3008  -1.808899      10.35129  
1 1 1 -10 37  8  o 363.276 6.7040  71641.09   2637.79  72206.80   3462.93  70859.14   4071.27  364.394 8.7741  360.672 10.422  3.722198       13.62354  
1 1 1 -10 37  9  o 206.286 4.1899  23068.63   936.155  22335.81   1247.52  24013.20   1416.33  202.896 5.6768  210.337 6.2170  -7.441406      8.418849  
1 1 1 -10 37  10 o 290.532 5.9621  45812.94   1876.13  46275.27   3249.43  45581.74   2297.83  291.357 10.297  289.635 7.3248  1.721924       12.63650  
1 1 1 -10 37  11 o 255.685 5.3534  35471.70   1482.54  34946.83   1816.24  36519.67   2566.39  253.659 6.6108  258.960 9.1500  -5.300537      11.28826  
1 1 1 -10 37  12 o 240.130 4.4210  31270.41   1149.84  31318.00   1625.01  31222.70   1627.23  240.146 6.2475  239.779 6.2657  0.3675842      8.848179  
1 1 1 -10 37  13 o 252.667 4.6132  34628.88   1262.47  34227.01   1785.33  35030.82   1785.47  250.988 6.5674  253.928 6.4919  -2.939560      9.234489  
1 1 1 -10 37  14 o 222.777 4.1750  26915.48   1007.39  26812.50   1425.11  27018.34   1424.22  222.191 5.9218  223.045 5.8954  -0.8540649     8.356036  
1 1 1 -10 37  15 o 158.198 3.4188  13567.74   585.801  13295.06   826.844  13842.54   830.061  156.514 4.8775  159.710 4.7985  -3.195679      6.842238  
1 1 1 -10 37  16 o 173.242 4.1321  16281.90   775.336  14588.51   1339.34  17135.42   950.863  163.650 7.5562  177.657 4.9416  -14.00749      9.028598  
1 1 1 -10 37  17 o 63.584  2.9832  2191.77    205.449  2259.22    489.350  2177.34    226.366  63.997  7.1838  63.280  3.3143  0.7170830      7.911507  
1 1 1 -10 37  18 o 164.225 4.9479  14657.36   880.099  15236.23   1277.44  14134.33   1214.25  167.131 7.0569  160.989 6.9637  6.141815       9.914317  
1 1 1 -10 37  19 o 147.727 4.7499  11867.62   759.993  11607.60   1090.45  12113.21   1059.79  145.763 6.9070  148.966 6.5685  -3.202957      9.531582  
1 1 1 -10 37  20 o 126.297 4.3949  8678.70    601.187  0.0000     0.0000   8678.70    601.187  ?       ?       126.297 4.3949  0.000000       4.394876  
1 1 1 -10 37  21 o 250.665 6.5661  34494.80   1782.67  0.0000     0.0000   34494.80   1782.67  ?       ?       250.665 6.5661  0.000000       6.566073  
1 1 1 -10 37  22 f 93.359  3.0845  4738.28    311.900  4500.99    615.648  4820.21    361.763  90.225  6.3402  94.105  3.5493  -3.879372      7.266031  
1 1 1 -10 37  23 o 143.961 3.3578  11284.70   523.565  10672.67   1031.59  11497.04   607.642  138.812 6.8614  145.181 3.8643  -6.368835      7.874699  
1 1 1 -10 37  24 f 43.528  4.7788  1051.85    221.589  448.665    445.127  1250.58    255.497  29.757  10.758  47.443  5.0498  -17.68558      11.88397  
1 1 1 -10 37  25 o 22.346  1.9903  273.305    47.668   263.552    48.809   474.693    221.796  21.930  2.0798  28.554  7.1792  -6.623951      7.474410  
1 1 1 -10 37  26 o 54.475  4.1011  1638.72    240.197  1548.15    496.250  1666.43    274.494  50.980  9.3311  54.781  4.6709  -3.800385      10.43493  
1 1 1 -10 37  27 o 83.275  2.8300  3786.11    255.254  3816.54    390.010  3763.31    337.603  83.046  4.3511  82.767  3.7660  0.2793274      5.754540  
1 1 1 -10 37  28 o 51.563  4.2533  1480.44    235.423  1152.44    505.278  1571.40    266.068  42.408  10.931  52.982  4.6848  -10.57388      11.89280  
1 1 1 -10 37  29 o 67.451  3.7821  2523.84    275.196  2418.73    563.717  2556.73    315.323  63.172  8.4507  67.645  4.3264  -4.473560      9.493780  
1 1 1 -10 37  30 o 50.574  4.4836  1453.85    243.054  1957.84    522.726  1314.83    274.537  55.149  9.0663  47.563  5.4263  7.585785       10.56610  
1 1 1 -10 37  31 o 26.716  1.2484  388.135    36.125   -267.3044  481.372  391.847    36.227   19.030  8.9747  26.844  1.2460  -7.813818      9.060796  
1 1 1 -10 37  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 38  1  o 680.687 11.294  252334.30  8326.55  250636.80  11775.57 254031.80  11775.48 676.453 16.072  681.071 15.963  -4.618103      22.65244  
1 1 1 -10 38  2  f 95.047  2.6596  4893.93    273.793  4953.40    385.630  4833.48    388.793  95.609  3.7239  94.443  3.8008  1.165596       5.321091  
1 1 1 -10 38  3  o 144.587 3.3023  11326.93   517.156  10877.86   756.846  11720.24   708.303  141.649 4.9332  147.046 4.4473  -5.397537      6.641864  
1 1 1 -10 38  4  o 222.615 4.1098  26859.03   990.934  26565.31   1400.28  27153.68   1402.51  221.306 5.8419  223.746 5.7873  -2.440613      8.223186  
1 1 1 -10 38  5  f 382.732 6.5225  79491.12   2703.83  74973.98   3822.58  84013.95   3825.00  371.273 9.5059  393.110 8.9835  -21.83713      13.07922  
1 1 1 -10 38  6  o 103.723 2.7932  5828.59    313.793  5879.16    442.065  5777.23    445.496  104.153 3.9187  103.245 3.9839  0.9081345      5.588180  
1 1 1 -10 38  7  o 288.572 5.1630  45160.38   1613.72  45405.78   2281.29  44914.61   2283.01  289.155 7.2842  287.582 7.3295  1.573212       10.33348  
1 1 1 -10 38  8  o 182.044 3.6382  17960.48   717.364  18107.83   1013.12  17812.32   1015.90  182.723 5.1191  181.223 5.1757  1.500061       7.279638  
1 1 1 -10 38  9  o 223.596 4.1642  27103.10   1008.49  26689.07   1425.65  27517.79   1426.78  221.762 5.9355  225.185 5.8499  -3.423477      8.333724  
1 1 1 -10 38  10 o 34.482  5.2815  659.921    190.967  731.751    306.180  614.188    244.310  35.979  8.0573  33.000  7.0494  2.979664       10.70582  
1 1 1 -10 38  11 o 93.332  2.8735  4720.05    290.478  4688.26    407.053  4753.04    414.649  92.992  4.0414  93.631  4.0888  -0.6390686     5.749009  
1 1 1 -10 38  12 o 190.634 3.7801  19701.01   780.494  19792.47   1099.73  19608.19   1107.88  190.979 5.3166  190.083 5.3812  0.8958740      7.564601  
1 1 1 -10 38  13 o 366.152 6.2924  72826.97   2495.46  73037.96   3529.84  72616.15   3528.39  366.122 8.9014  365.058 8.9237  1.064362       12.60427  
1 1 1 -10 38  14 o 187.427 3.7533  19046.74   761.928  19183.25   1081.08  18912.01   1074.02  187.986 5.3096  186.652 5.3126  1.333954       7.511022  
1 1 1 -10 38  15 o 225.831 4.2338  27665.65   1035.58  27694.93   1465.55  27636.45   1463.53  225.759 5.9936  225.521 5.9916  0.2382202      8.474799  
1 1 1 -10 38  16 o 177.801 3.8226  17146.42   736.151  16804.40   1097.62  17426.03   992.451  175.847 5.7630  179.136 5.1151  -3.289108      7.705632  
1 1 1 -10 38  17 o 244.598 4.5177  32482.66   1196.85  31794.13   1693.47  33169.77   1691.73  241.669 6.4697  246.869 6.3269  -5.200836      9.049175  
1 1 1 -10 38  18 o 85.773  4.2406  3995.20    393.960  4354.55    594.812  3714.36    525.831  89.198  6.1952  82.386  5.9325  6.812286       8.577623  
1 1 1 -10 38  19 o 55.897  4.8882  1712.84    292.968  1585.99    471.486  1792.62    373.914  53.110  8.4818  56.997  6.1545  -3.887947      10.47949  
1 1 1 -10 38  20 o 83.889  3.5580  3823.38    323.278  0.0000     0.0000   3823.38    323.278  ?       ?       83.889  3.5580  0.000000       3.557981  
1 1 1 -10 38  21 o 116.873 4.2947  7442.82    543.643  0.0000     0.0000   7442.82    543.643  ?       ?       116.873 4.2947  0.000000       4.294676  
1 1 1 -10 38  22 o 21.137  8.0924  174.346    258.957  0.0000     0.0000   174.346    258.957  ?       ?       21.137  8.0924  0.000000       8.092439  
1 1 1 -10 38  23 o 65.044  4.0161  2318.15    281.547  2448.28    478.720  2249.34    348.117  66.164  6.7757  63.846  5.0760  2.318417       8.466197  
1 1 1 -10 38  24 o 33.314  1.9399  604.454    69.695   596.152    72.690   699.007    245.309  33.074  2.0391  34.897  6.7341  -1.822887      7.036050  
1 1 1 -10 38  25 o 78.395  3.3856  3355.56    287.471  3493.54    576.788  3309.96    331.591  78.748  6.8301  77.648  3.9559  1.099930       7.893028  
1 1 1 -10 38  26 o 49.730  4.3950  1371.83    234.293  1116.63    476.603  1453.16    269.047  42.666  10.407  51.043  4.9279  -8.377083      11.51434  
1 1 1 -10 38  27 f 63.639  2.6747  2209.61    184.362  2467.60    530.720  2174.21    196.605  65.168  7.6655  63.090  2.8772  2.078079       8.187708  
1 1 1 -10 38  28 o 33.203  6.3751  644.605    220.928  439.569    459.142  706.380    252.022  28.732  10.829  34.575  6.9706  -5.842308      12.87844  
1 1 1 -10 38  29 o 31.179  6.6541  580.774    217.870  891.517    475.516  498.210    245.111  36.601  11.060  28.526  7.7373  8.074547       13.49777  
1 1 1 -10 38  30 o 29.358  1.3178  468.571    41.903   477.276    42.544   186.424    242.216  29.629  1.3257  19.893  7.7693  9.736126       7.881562  
1 1 1 -10 38  31 o 13.480  6.3715  -215.1910  245.113  77.715     465.740  -327.3991  288.265  21.875  9.7404  13.795  6.6271  8.079538       11.78107  
1 1 1 -10 38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 39  1  o 407.341 6.9573  90059.34   3069.51  87512.39   4340.74  92606.80   4341.16  401.064 9.9926  412.625 9.7136  -11.56085      13.93582  
1 1 1 -10 39  2  o 140.573 3.2272  10706.67   491.357  10323.21   693.856  11092.42   695.917  137.997 4.6423  143.050 4.4916  -5.053497      6.459472  
1 1 1 -10 39  3  f 325.144 5.6864  57339.56   2002.54  55734.00   2831.29  58946.77   2832.74  320.301 8.1612  329.431 7.9391  -9.130188      11.38574  
1 1 1 -10 39  4  o 141.445 3.2352  10840.12   495.628  10762.23   722.550  10909.34   681.130  140.895 4.7348  141.864 4.4329  -0.9691467     6.486042  
1 1 1 -10 39  5  o 11.962  4.7349  41.024     91.029   19.542     117.132  73.786     144.650  12.603  5.2280  15.313  5.9974  -2.709796      7.956179  
1 1 1 -10 39  6  o 169.179 3.4662  15509.68   635.135  15444.88   896.854  15574.88   899.586  168.773 4.9063  169.482 4.9006  -0.7090454     6.934504  
1 1 1 -10 39  7  o 273.451 4.8145  40546.02   1425.93  39369.74   2014.87  41726.28   2018.28  269.275 6.9084  277.236 6.7214  -7.961121      9.638680  
1 1 1 -10 39  8  o 317.490 5.5279  54685.81   1900.89  55076.30   2687.81  54295.05   2688.71  318.341 7.7954  316.066 7.8541  2.274323       11.06590  
1 1 1 -10 39  9  o 263.237 4.6716  37576.54   1331.92  37281.12   1882.35  37872.77   1884.89  262.022 6.6327  264.097 6.5895  -2.075562      9.349586  
1 1 1 -10 39  10 o 125.018 4.3292  8474.64    586.203  8451.02    823.540  8498.89    834.604  124.769 6.0941  125.118 6.1587  -0.3496017     8.664154  
1 1 1 -10 39  11 o 322.284 5.6266  56373.03   1964.05  57442.47   2775.79  55300.82   2779.38  324.983 7.8860  318.839 8.0483  6.144287       11.26785  
1 1 1 -10 39  12 o 54.325  3.3235  1605.52    194.613  1530.94    269.375  1686.94    281.470  52.913  4.7509  55.567  4.7215  -2.654163      6.698043  
1 1 1 -10 39  13 o 316.671 5.5007  54436.28   1886.68  50909.74   2667.04  57968.83   2669.31  305.827 8.0516  326.442 7.5496  -20.61478      11.03742  
1 1 1 -10 39  14 o 174.112 3.6627  16436.30   690.716  17114.23   932.322  15611.50   1028.36  177.589 4.8471  169.556 5.5997  8.033493       7.406126  
1 1 1 -10 39  15 o 244.041 4.5164  32317.13   1193.79  32744.53   1691.40  31892.87   1685.17  245.409 6.3634  242.187 6.4242  3.221664       9.042307  
1 1 1 -10 39  16 o 170.836 3.7027  15828.83   685.128  15363.53   1020.92  16210.08   924.131  168.144 5.6058  172.780 4.9382  -4.636581      7.470695  
1 1 1 -10 39  17 o 36.332  5.1043  731.232    195.321  426.378    279.520  1022.13    273.045  27.878  8.4921  42.927  6.0396  -15.04961      10.42082  
1 1 1 -10 39  18 o 145.296 3.4480  11454.63   542.610  11404.52   742.234  11512.14   795.239  144.855 4.7308  145.500 5.0462  -0.6456146     6.917001  
1 1 1 -10 39  19 o 156.010 3.3508  13211.95   566.205  13356.57   798.981  13066.05   802.499  156.681 4.7081  154.957 4.7815  1.724640       6.710380  
1 1 1 -10 39  20 o 113.339 4.2352  6990.62    519.911  0.0000     0.0000   6990.62    519.911  ?       ?       113.339 4.2352  0.000000       4.235241  
1 1 1 -10 39  21 o 91.180  4.1320  4529.55    408.061  0.0000     0.0000   4529.55    408.061  ?       ?       91.180  4.1320  0.000000       4.131953  
1 1 1 -10 39  22 o 50.482  5.7266  1416.87    307.575  0.0000     0.0000   1416.87    307.575  ?       ?       50.482  5.7266  0.000000       5.726635  
1 1 1 -10 39  23 o 66.205  4.9157  2415.94    349.968  0.0000     0.0000   2415.94    349.968  ?       ?       66.205  4.9157  0.000000       4.915654  
1 1 1 -10 39  24 o 134.777 4.6600  9970.93    680.252  0.0000     0.0000   9970.93    680.252  ?       ?       134.777 4.6600  0.000000       4.659970  
1 1 1 -10 39  25 o 22.713  8.3807  242.301    272.150  0.0000     0.0000   242.301    272.150  ?       ?       22.713  8.3807  0.000000       8.380654  
1 1 1 -10 39  26 o 32.939  0.9684  588.081    34.551   601.986    34.937   -29.8012   232.898  33.327  0.9679  16.145  7.0489  17.18170       7.115088  
1 1 1 -10 39  27 o 21.025  7.4026  230.302    209.367  380.773    435.180  184.984    238.823  27.666  10.515  20.479  7.7879  7.186819       13.08471  
1 1 1 -10 39  28 o 47.873  2.4339  1253.40    125.787  1208.69    140.669  1431.79    280.989  46.939  2.7793  50.329  5.2311  -3.390007      5.923624  
1 1 1 -10 39  29 o 30.946  6.6684  574.137    216.917  562.971    476.926  577.049    243.568  30.263  11.105  30.740  7.4037  -0.4772854     13.34709  
1 1 1 -10 39  30 o 51.345  2.4640  1447.87    137.029  1414.45    157.804  1550.31    276.298  50.538  2.8949  51.832  4.9831  -1.293518      5.762974  
1 1 1 -10 39  31 o 26.462  8.2759  461.783    263.436  824.226    497.840  320.827    310.464  32.745  11.422  23.279  8.8731  9.466311       14.46351  
1 1 1 -10 39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 40  1  o 83.866  2.4819  3810.12    225.448  3894.75    341.919  3745.03    299.867  84.776  3.7237  83.137  3.3302  1.639900       4.995625  
1 1 1 -10 40  2  o 237.236 4.6305  30510.55   1189.82  30795.80   1578.51  30135.26   1810.58  238.251 6.1171  235.608 7.0951  2.642303       9.367957  
1 1 1 -10 40  3  o 215.906 4.3846  25268.36   1025.33  24262.75   1364.36  26573.24   1554.18  211.482 5.9564  221.287 6.4845  -9.805054      8.804980  
1 1 1 -10 40  4  o 334.023 5.7969  60523.45   2097.21  56517.04   2964.54  64537.23   2967.27  322.469 8.4879  344.667 7.9485  -22.19781      11.62855  
1 1 1 -10 40  5  o 165.877 3.4665  14910.20   622.799  13640.99   922.127  15974.77   844.523  158.592 5.3683  171.659 4.5423  -13.06723      7.032173  
1 1 1 -10 40  6  o 353.043 6.5353  67653.68   2498.99  68917.98   3282.22  65909.99   3854.59  356.042 8.5113  347.885 10.230  8.156738       13.30764  
1 1 1 -10 40  7  o 357.227 6.1907  69259.07   2395.25  69149.52   3386.28  69368.77   3388.51  356.553 8.7686  357.119 8.7604  -0.5662537     12.39487  
1 1 1 -10 40  8  o 125.210 2.9553  8494.64    400.780  8386.64    566.376  8602.96    567.201  124.378 4.2043  125.973 4.1571  -1.595345      5.912466  
1 1 1 -10 40  9  f 163.339 3.3260  14458.58   588.412  13789.66   828.157  15140.53   836.181  159.456 4.7951  167.092 4.6203  -7.636627      6.658896  
1 1 1 -10 40  10 o 28.675  7.1209  464.465    220.155  420.823    295.515  518.896    330.029  27.965  8.7685  30.719  9.1986  -2.753820      12.70832  
1 1 1 -10 40  11 f 146.336 3.2584  11605.64   516.446  11422.13   727.151  11792.44   733.622  145.119 4.6263  147.454 4.5935  -2.335266      6.519397  
1 1 1 -10 40  12 o 212.421 4.0540  24466.61   932.721  24098.83   1317.26  24836.41   1320.88  210.685 5.7726  213.891 5.7016  -3.206390      8.113641  
1 1 1 -10 40  13 o 83.523  2.9949  3780.68    270.930  3719.92    379.115  3844.09    387.323  82.711  4.2463  84.081  4.2671  -1.370834      6.019843  
1 1 1 -10 40  14 o 174.957 3.6012  16596.20   682.417  16176.09   965.301  17015.93   964.867  172.623 5.1629  177.058 5.0313  -4.435120      7.209015  
1 1 1 -10 40  15 o 214.000 4.1011  24842.65   950.568  23568.24   1344.83  26115.08   1343.79  208.244 5.9624  219.246 5.6589  -11.00165      8.220298  
1 1 1 -10 40  16 o 121.597 3.1241  8016.26    411.456  8269.03    593.309  7782.06    571.099  123.428 4.4381  119.741 4.4035  3.687439       6.252005  
1 1 1 -10 40  17 o 146.514 3.1913  11641.42   506.434  12317.95   719.190  10976.01   713.257  150.615 4.4086  142.155 4.6325  8.460388       6.394989  
1 1 1 -10 40  18 o 103.700 3.1108  5833.33    349.399  5967.62    490.659  5695.18    497.665  104.806 4.3224  102.373 4.4883  2.433113       6.231213  
1 1 1 -10 40  19 o 76.985  3.2557  3217.23    271.472  3520.86    394.950  2945.31    373.765  80.317  4.5589  73.414  4.7256  6.903099       6.566192  
1 1 1 -10 40  20 o 46.651  4.5700  1196.87    227.948  1573.41    400.364  1016.26    277.278  53.054  7.1493  42.656  6.1817  10.39777       9.451235  
1 1 1 -10 40  21 o 123.414 3.1673  8279.05    423.367  6948.37    833.757  8741.36    491.439  112.085 6.9014  126.748 3.5798  -14.66250      7.774601  
1 1 1 -10 40  22 o 89.953  4.4404  4420.79    432.623  0.0000     0.0000   4420.79    432.623  ?       ?       89.953  4.4404  0.000000       4.440415  
1 1 1 -10 40  23 o 57.775  5.2445  1848.50    324.602  0.0000     0.0000   1848.50    324.602  ?       ?       57.775  5.2445  0.000000       5.244466  
1 1 1 -10 40  24 o 56.137  5.4511  1754.28    327.257  0.0000     0.0000   1754.28    327.257  ?       ?       56.137  5.4511  0.000000       5.451085  
1 1 1 -10 40  25 o 109.258 4.4889  6564.06    531.203  0.0000     0.0000   6564.06    531.203  ?       ?       109.258 4.4889  0.000000       4.488863  
1 1 1 -10 40  26 o 60.780  5.2069  2064.47    339.462  0.0000     0.0000   2064.47    339.462  ?       ?       60.780  5.2069  0.000000       5.206863  
1 1 1 -10 40  27 o 56.374  5.4974  1793.39    331.392  0.0000     0.0000   1793.39    331.392  ?       ?       56.374  5.4974  0.000000       5.497391  
1 1 1 -10 40  28 o 84.812  3.4346  3954.48    315.503  4101.27    636.984  3906.76    363.183  84.134  7.0553  84.080  3.9881  0.5432892E-01  8.104411  
1 1 1 -10 40  29 o 67.286  3.8869  2523.44    282.062  2275.75    567.389  2604.75    325.077  60.405  8.9426  68.077  4.4329  -7.671986      9.981043  
1 1 1 -10 40  30 o 40.778  5.8367  988.407    250.433  1219.03    523.848  920.085    285.125  40.571  11.432  38.539  7.0921  2.032688       13.45285  
1 1 1 -10 40  31 o 30.482  8.6330  628.765    297.958  483.106    517.199  701.123    364.528  27.254  11.111  31.429  9.7198  -4.175365      14.76239  
1 1 1 -10 40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 41  1  o 294.380 5.6734  47006.07   1808.93  47985.05   2777.14  46284.62   2384.05  297.117 8.6298  291.933 7.5398  5.184082       11.45959  
1 1 1 -10 41  2  o 179.335 3.5999  17428.19   699.248  16944.75   988.424  17912.55   989.350  176.770 5.1626  181.754 5.0257  -4.984360      7.204834  
1 1 1 -10 41  3  o 91.573  2.7967  4543.06    277.384  4486.06    391.422  4600.57    393.143  90.978  3.9722  92.133  3.9397  -1.154419      5.594655  
1 1 1 -10 41  4  o 87.549  2.5961  4152.36    246.171  4113.08    365.187  4185.07    333.276  87.115  3.8703  87.881  3.5014  -0.7652893     5.219122  
1 1 1 -10 41  5  o 268.637 4.9109  39132.23   1428.88  38865.09   2019.67  39399.94   2021.82  267.544 6.9697  269.382 6.9295  -1.838654      9.828279  
1 1 1 -10 41  6  o 162.061 3.5369  14233.29   620.838  13940.56   839.810  14586.06   921.917  160.337 4.8359  163.991 5.1904  -3.653702      7.094095  
1 1 1 -10 41  7  o 99.498  2.7936  5363.73    301.052  5490.44    424.453  5235.47    427.062  100.644 3.8938  98.277  4.0121  2.367424       5.590894  
1 1 1 -10 41  8  o 113.406 2.9688  6968.64    364.660  7289.87    514.266  6643.78    517.159  115.962 4.0945  110.698 4.3134  5.264236       5.947268  
1 1 1 -10 41  9  o 67.702  2.4207  2483.18    177.506  2870.05    297.488  2269.29    221.198  72.666  3.7929  64.712  3.1559  7.954086       4.934197  
1 1 1 -10 41  10 f 258.659 6.6633  36342.39   1866.77  36695.79   2640.71  35989.36   2639.32  259.526 9.3944  257.002 9.4817  2.524597       13.34754  
1 1 1 -10 41  11 o 340.673 6.3303  63033.68   2335.78  62989.14   3069.18  63095.00   3600.70  340.193 8.3297  340.159 9.7732  0.3417969E-01  12.84126  
1 1 1 -10 41  12 o 172.726 3.6604  16173.36   684.787  16322.13   923.224  15991.40   1021.01  173.447 4.9144  171.641 5.4921  1.805710       7.369851  
1 1 1 -10 41  13 o 240.709 4.4469  31429.64   1159.37  31197.77   1638.22  31662.30   1640.97  239.619 6.3122  241.401 6.2761  -1.781891      8.901342  
1 1 1 -10 41  14 o 236.972 4.4103  30466.32   1131.96  30130.98   1600.86  30801.65   1600.82  235.446 6.2776  238.061 6.2084  -2.615463      8.829093  
1 1 1 -10 41  15 o 123.833 3.1515  8312.95    422.694  7823.32    594.276  8814.30    601.345  120.063 4.5699  127.453 4.3561  -7.390038      6.313483  
1 1 1 -10 41  16 o 233.350 4.3415  29555.80   1097.28  29274.23   1550.59  29838.24   1552.98  231.966 6.1717  234.199 6.1222  -2.232498      8.693172  
1 1 1 -10 41  17 o 134.805 3.2505  9856.43    474.593  10000.19   670.274  9711.90    672.081  135.684 4.5609  133.707 4.6409  1.977173       6.506902  
1 1 1 -10 41  18 f 149.057 3.3518  12057.05   541.135  12116.16   775.185  12000.87   755.747  149.261 4.7950  148.562 4.6968  0.6991425      6.712047  
1 1 1 -10 41  19 o 136.379 3.2216  10097.17   475.867  10420.08   675.407  9778.87    670.574  138.380 4.5063  134.039 4.6190  4.341522       6.453055  
1 1 1 -10 41  20 o 134.271 3.7602  9806.00    546.845  9105.71    983.348  10119.52   657.967  128.492 7.0933  136.282 4.4576  -7.789337      8.377589  
1 1 1 -10 41  21 o 37.714  1.9735  773.549    80.334   764.651    86.256   831.756    220.612  37.483  2.1335  38.607  5.4256  -1.124481      5.829969  
1 1 1 -10 41  22 o 18.472  6.9354  142.391    187.983  147.127    341.947  140.340    225.039  22.637  9.1041  19.455  7.5191  3.181358       11.80768  
1 1 1 -10 41  23 o 66.627  2.7220  2413.91    196.434  2038.19    259.362  2919.37    300.827  60.961  3.9493  73.031  3.8164  -12.06938      5.492003  
1 1 1 -10 41  24 o 60.513  5.1637  2031.48    335.199  0.0000     0.0000   2031.48    335.199  ?       ?       60.513  5.1637  0.000000       5.163691  
1 1 1 -10 41  25 o 38.479  7.9071  868.317    318.525  0.0000     0.0000   868.317    318.525  ?       ?       38.479  7.9071  0.000000       7.907111  
1 1 1 -10 41  26 o 18.868  7.8270  73.105     262.551  0.0000     0.0000   73.105     262.551  ?       ?       18.868  7.8270  0.000000       7.827044  
1 1 1 -10 41  27 o 42.953  6.8370  1073.02    307.415  0.0000     0.0000   1073.02    307.415  ?       ?       42.953  6.8370  0.000000       6.836978  
1 1 1 -10 41  28 o 68.481  5.0777  2640.00    373.942  0.0000     0.0000   2640.00    373.942  ?       ?       68.481  5.0777  0.000000       5.077694  
1 1 1 -10 41  29 o 51.089  6.1962  1529.56    335.851  0.0000     0.0000   1529.56    335.851  ?       ?       51.089  6.1962  0.000000       6.196211  
1 1 1 -10 41  30 o 19.640  7.9435  162.731    261.922  0.0000     0.0000   162.731    261.922  ?       ?       19.640  7.9435  0.000000       7.943545  
1 1 1 -10 41  31 o 30.777  2.4581  524.859    81.258   502.860    83.330   950.739    366.647  30.086  2.5822  37.112  9.1737  -7.026508      9.530161  
1 1 1 -10 41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 41  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 42  1  o 183.901 3.5266  18326.75   702.438  18300.03   993.895  18353.41   992.901  183.707 4.9951  183.976 4.9828  -0.2683105     7.055459  
1 1 1 -10 42  2  o 122.680 2.9801  8154.28    395.983  7981.96    560.620  8325.85    559.390  121.347 4.2655  123.936 4.1672  -2.589096      5.963222  
1 1 1 -10 42  3  o 88.551  2.7582  4248.13    264.538  4301.12    373.405  4194.74    374.825  89.084  3.8700  87.974  3.9337  1.109779       5.518239  
1 1 1 -10 42  4  o 391.848 7.2557  83389.51   3079.42  81824.27   4038.37  85564.09   4759.97  387.737 9.6161  396.172 11.093  -8.435669      14.68077  
1 1 1 -10 42  5  o 298.109 5.3891  48205.55   1740.05  48232.75   2459.92  48178.32   2461.68  297.950 7.6227  297.781 7.6325  0.1694031      10.78700  
1 1 1 -10 42  6  o 117.452 2.9145  7474.46    370.765  7729.80    520.354  7211.13    528.422  119.415 4.0232  115.334 4.2301  4.081604       5.837812  
1 1 1 -10 42  7  o 11.056  4.7214  -4.0772    100.036  -54.0814   152.507  33.686     132.532  12.659  5.6086  13.706  5.6103  -1.046576      7.932916  
1 1 1 -10 42  8  o 207.228 3.9587  23279.25   888.524  22993.83   1256.34  23564.87   1256.79  205.848 5.6349  208.393 5.5681  -2.545349      7.921891  
1 1 1 -10 42  9  o 292.504 5.1305  46415.50   1625.42  46891.45   2297.94  45938.93   2299.44  293.748 7.2226  290.738 7.3021  3.009949       10.27068  
1 1 1 -10 42  10 o 223.481 4.8101  27090.73   1164.29  26410.82   1423.83  28462.85   2022.67  220.563 5.9601  228.723 8.1648  -8.160324      10.10874  
1 1 1 -10 42  11 o 283.383 4.9960  43569.94   1533.45  42318.26   2166.76  44825.95   2170.50  279.011 7.1700  287.187 6.9779  -8.176544      10.00499  
1 1 1 -10 42  12 o 72.416  3.0131  2841.98    236.331  2928.27    328.843  2749.80    339.875  73.366  4.1554  71.064  4.4379  2.302040       6.079618  
1 1 1 -10 42  13 o 168.394 3.5279  15373.09   643.443  15700.83   908.260  15042.88   911.683  170.093 4.9301  166.482 5.0560  3.611038       7.061791  
1 1 1 -10 42  14 o 192.367 3.8176  20068.16   795.416  20214.82   1124.67  19921.38   1125.10  192.935 5.3820  191.525 5.4237  1.409561       7.640863  
1 1 1 -10 42  15 o 94.558  3.0494  4847.01    312.309  5034.24    453.151  4677.63    431.022  96.318  4.3438  92.846  4.2861  3.471611       6.102377  
1 1 1 -10 42  16 o 251.521 4.6017  34351.95   1253.62  34987.79   1774.28  33718.09   1771.51  253.510 6.4618  248.845 6.5727  4.664993       9.217153  
1 1 1 -10 42  17 o 83.937  2.7694  3820.00    251.771  4011.14    332.488  3563.08    385.474  85.978  3.5704  80.872  4.4175  5.105988       5.679974  
1 1 1 -10 42  18 o 103.135 3.0147  5770.77    336.764  6450.58    484.338  5134.52    468.567  108.958 4.1041  97.181  4.4516  11.77678       6.054821  
1 1 1 -10 42  19 o 48.292  1.8404  1264.06    96.264   1319.23    104.074  937.314    253.279  49.332  1.9478  41.021  5.8678  8.311321       6.182608  
1 1 1 -10 42  20 o 64.177  3.3130  2244.35    229.506  2471.08    333.921  2041.36    315.964  67.162  4.6185  60.980  4.8233  6.181984       6.677876  
1 1 1 -10 42  21 o 60.953  3.3710  2027.31    221.683  2233.47    440.632  1957.45    256.511  63.366  6.5129  59.800  3.9831  3.565304       7.634371  
1 1 1 -10 42  22 o 134.828 3.2853  9895.03    479.765  9865.87    941.634  9905.25    557.563  133.640 6.5054  134.777 3.8195  -1.137268      7.543804  
1 1 1 -10 42  23 o 43.241  4.7976  1038.11    220.906  934.893    446.941  1071.48    254.116  39.619  10.315  43.780  5.4791  -4.160248      11.67943  
1 1 1 -10 42  24 o 45.002  4.6603  1124.11    223.861  1171.14    455.986  1109.18    256.958  44.336  9.7600  44.504  5.4444  -0.1673126     11.17579  
1 1 1 -10 42  25 o 63.309  3.7458  2202.61    255.706  2220.75    519.528  2196.81    293.750  62.063  7.9083  63.073  4.3261  -1.009342      9.014264  
1 1 1 -10 42  26 o 75.915  4.7401  3200.30    387.797  0.0000     0.0000   3200.30    387.797  ?       ?       75.915  4.7401  0.000000       4.740057  
1 1 1 -10 42  27 o 108.211 4.5362  6490.05    531.655  0.0000     0.0000   6490.05    531.655  ?       ?       108.211 4.5362  0.000000       4.536180  
1 1 1 -10 42  28 o 80.537  4.7746  3635.58    414.627  0.0000     0.0000   3635.58    414.627  ?       ?       80.537  4.7746  0.000000       4.774552  
1 1 1 -10 42  29 f 22.363  8.5597  255.581    289.678  0.0000     0.0000   255.581    289.678  ?       ?       22.363  8.5597  0.000000       8.559746  
1 1 1 -10 42  30 o 22.958  8.6984  301.302    297.241  0.0000     0.0000   301.302    297.241  ?       ?       22.958  8.6984  0.000000       8.698446  
1 1 1 -10 42  31 o 30.500  11.767  721.400    550.369  0.0000     0.0000   721.400    550.369  ?       ?       30.500  11.767  0.000000       11.76693  
1 1 1 -10 42  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 42  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 43  1  o 82.233  2.4380  3663.27    217.147  3488.94    333.584  3791.45    286.051  80.233  3.8387  83.650  3.1572  -3.416809      4.970273  
1 1 1 -10 43  2  o 189.890 4.0301  19544.65   828.881  19791.53   1246.18  19348.77   1110.03  190.982 6.0245  188.868 5.4263  2.113220       8.107969  
1 1 1 -10 43  3  f 135.401 3.0866  9933.67    452.661  9635.94    655.760  10204.67   625.622  133.315 4.5415  137.204 4.2099  -3.888794      6.192598  
1 1 1 -10 43  4  o 64.087  2.3430  2224.91    162.635  2063.71    203.198  2512.25    271.283  61.715  3.0399  67.983  3.6982  -6.268234      4.787224  
1 1 1 -10 43  5  o 71.438  2.2963  2764.61    177.673  2798.66    225.048  2708.27    289.479  71.870  2.8911  70.585  3.8005  1.284775       4.775105  
1 1 1 -10 43  6  o 56.453  1.9091  1726.29    116.729  1800.78    165.713  1652.93    164.454  57.653  2.6538  55.234  2.7489  2.418190       3.820912  
1 1 1 -10 43  7  o 255.974 4.9523  35538.34   1373.01  35731.27   1816.82  35281.43   2096.53  256.522 6.5391  254.783 7.5973  1.738586       10.02391  
1 1 1 -10 43  8  o 364.592 6.8068  72203.34   2687.94  71306.34   3528.53  73443.57   4149.04  361.914 9.0016  366.967 10.439  -5.052948      13.78393  
1 1 1 -10 43  9  o 361.752 7.2075  71119.70   2824.02  69524.63   4891.67  71917.07   3458.59  356.366 12.673  363.465 8.7855  -7.098450      15.42072  
1 1 1 -10 43  10 o 397.891 7.8246  86112.15   3372.07  88147.64   4128.33  82031.70   5845.12  402.157 9.4778  386.516 13.962  15.64169       16.87525  
1 1 1 -10 43  11 o 261.599 4.7245  37122.82   1338.63  36511.43   1891.06  37736.87   1895.17  259.211 6.7357  263.538 6.6395  -4.326782      9.457890  
1 1 1 -10 43  12 o 138.187 3.1918  10349.89   477.715  10337.96   672.314  10362.05   678.916  138.051 4.4964  138.210 4.5353  -0.1588287     6.386399  
1 1 1 -10 43  13 o 254.891 4.6430  35252.25   1281.82  33807.58   1811.21  36701.91   1814.33  249.353 6.7063  259.847 6.4466  -10.49417      9.302291  
1 1 1 -10 43  14 o 253.806 4.6189  34958.70   1269.74  32769.39   1792.56  37163.31   1798.82  245.439 6.7431  261.442 6.3525  -16.00313      9.264078  
1 1 1 -10 43  15 o 185.087 3.7366  18581.42   749.069  17286.82   1059.94  19873.10   1058.74  178.359 5.4868  191.280 5.1104  -12.92055      7.498022  
1 1 1 -10 43  16 o 184.495 3.7560  18468.35   750.554  18230.38   1066.88  18701.53   1056.09  183.122 5.3790  185.489 5.2567  -2.367340      7.521110  
1 1 1 -10 43  17 o 74.275  3.1384  2992.43    252.474  2676.20    364.524  3284.00    350.022  69.997  4.8378  77.649  4.1772  -7.651512      6.391677  
1 1 1 -10 43  18 o 39.404  4.3595  854.452    182.944  1264.46    275.116  529.435    244.947  47.875  5.4000  30.489  7.4750  17.38610       9.221488  
1 1 1 -10 43  19 o 256.629 4.7160  35879.89   1310.84  34163.37   1855.48  37590.22   1852.13  249.584 6.8639  261.960 6.5278  -12.37564      9.472311  
1 1 1 -10 43  20 f 153.522 3.3726  12813.84   560.792  13114.24   799.309  12522.62   786.995  155.011 4.7608  151.465 4.7972  3.545853       6.758621  
1 1 1 -10 43  21 o 40.821  2.2876  907.220    100.734  842.917    110.370  1228.01    246.512  39.311  2.6070  47.136  4.9001  -7.825546      5.550473  
1 1 1 -10 43  22 o 41.422  4.7775  951.604    210.406  854.033    385.361  993.045    251.145  38.164  9.3875  42.136  5.6449  -3.972221      10.95404  
1 1 1 -10 43  23 o 63.461  3.7108  2206.20    253.947  2285.07    518.424  2181.30    291.287  63.431  7.7040  62.979  4.2959  0.4527473      8.820844  
1 1 1 -10 43  24 o 4.3241  2.0885  -47.3815   29.562   -51.6491   29.817   198.815    226.472  4.2473  2.0623  20.764  7.6477  -16.51635      7.920904  
1 1 1 -10 43  25 o 46.862  2.0187  1193.30    102.461  1239.57    111.689  947.521    257.423  47.750  2.1596  40.824  6.0009  6.925205       6.377638  
1 1 1 -10 43  26 o 23.222  7.4312  305.063    211.333  -3.5101    455.233  389.832    238.601  22.612  9.8644  25.862  7.8388  -3.249506      12.59973  
1 1 1 -10 43  27 o 43.240  5.0912  1055.65    233.867  559.307    499.311  1195.14    264.698  31.246  11.379  45.919  5.4271  -14.67343      12.60661  
1 1 1 -10 43  28 o 21.724  7.5421  259.416    216.945  -47.9874   337.111  476.724    283.436  18.783  8.3292  27.954  8.5585  -9.171461      11.94254  
1 1 1 -10 43  29 o 20.461  8.3027  165.491    287.151  0.0000     0.0000   165.491    287.151  ?       ?       20.461  8.3027  0.000000       8.302743  
1 1 1 -10 43  30 o 27.195  1.4031  403.537    41.187   0.0000     0.0000   403.537    41.187   ?       ?       27.195  1.4031  0.000000       1.403109  
1 1 1 -10 43  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 43  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 44  1  o 102.679 2.7703  5712.07    308.095  5577.61    436.151  5845.98    435.275  101.440 3.9697  103.854 3.8696  -2.414131      5.543680  
1 1 1 -10 44  2  o 408.397 8.2125  90669.93   3632.67  90067.15   5137.50  91272.65   5137.25  406.247 11.676  408.978 11.597  -2.730743      16.45681  
1 1 1 -10 44  3  o 220.811 4.4714  26435.02   1069.38  27571.17   1622.27  25561.96   1422.09  225.350 6.6465  217.031 6.0497  8.319382       8.987502  
1 1 1 -10 44  4  o 168.735 3.4053  15429.25   622.343  15185.57   879.758  15673.33   880.495  167.339 4.8540  170.009 4.7817  -2.669678      6.813649  
1 1 1 -10 44  5  o 157.912 3.3328  13513.17   570.026  12942.14   804.227  14089.66   808.064  154.484 4.8064  161.196 4.6283  -6.711365      6.672571  
1 1 1 -10 44  6  o 283.161 5.0903  43491.39   1561.15  42430.16   2206.40  44555.33   2209.21  279.451 7.2897  286.385 7.1223  -6.934113      10.19148  
1 1 1 -10 44  7  o 367.217 6.7750  73241.58   2694.64  73427.05   3536.87  72984.98   4160.13  367.295 8.8907  365.825 10.499  1.469513       13.75792  
1 1 1 -10 44  8  o 287.330 5.0698  44786.16   1577.77  43864.23   2230.30  45709.75   2232.31  284.105 7.2479  290.039 7.1060  -5.934631      10.15028  
1 1 1 -10 44  9  o 131.225 3.5893  9333.85    510.149  9040.73    877.767  9483.37    626.896  129.029 6.2809  132.243 4.3768  -3.213898      7.655443  
1 1 1 -10 44  10 o 85.866  3.0448  3995.52    283.173  4444.04    379.971  3435.24    424.684  90.538  3.8748  79.419  4.9619  11.11855       6.295614  
1 1 1 -10 44  11 o 300.020 5.3316  48853.43   1732.54  49350.37   2448.46  48355.10   2451.90  301.218 7.5048  298.150 7.5927  3.068085       10.67577  
1 1 1 -10 44  12 o 163.233 3.4545  14444.23   610.753  14363.17   863.894  14525.22   863.577  162.692 4.9026  163.609 4.8733  -0.9171753     6.912616  
1 1 1 -10 44  13 o 82.737  2.7229  3709.73    244.006  3863.41    389.950  3610.83    312.815  84.282  4.2859  81.607  3.5391  2.674599       5.558189  
1 1 1 -10 44  14 o 247.632 4.6021  33280.45   1234.33  32601.06   1746.54  33958.39   1744.68  244.814 6.5868  249.882 6.4463  -5.067612      9.216312  
1 1 1 -10 44  15 o 80.929  3.0680  3550.88    268.920  3542.63    381.582  3559.01    379.051  80.670  4.3837  80.860  4.3440  -0.1907120     6.171462  
1 1 1 -10 44  16 o 65.030  3.2842  2299.53    230.573  2139.48    332.147  2448.40    320.332  62.552  4.9427  66.999  4.4394  -4.446827      6.643743  
1 1 1 -10 44  17 o 137.937 3.2050  10322.63   478.823  10806.50   681.300  9850.34    673.090  141.013 4.4608  134.614 4.6165  6.399673       6.419545  
1 1 1 -10 44  18 o 140.354 3.2840  10694.09   499.231  10463.10   715.674  10913.02   696.744  138.644 4.7659  141.626 4.5421  -2.982651      6.583669  
1 1 1 -10 44  19 o 98.603  3.0352  5279.23    324.147  4741.50    466.316  5782.00    450.898  93.284  4.6153  103.086 4.0384  -9.802078      6.132706  
1 1 1 -10 44  20 o 127.327 3.1690  8811.68    437.029  8443.00    624.741  9164.98    611.573  124.378 4.6375  129.646 4.3553  -5.268036      6.362033  
1 1 1 -10 44  21 o 86.463  3.1110  4065.51    291.339  4078.17    568.744  4061.01    339.225  85.866  6.1563  86.350  3.6271  -0.4837494     7.145282  
1 1 1 -10 44  22 o 102.310 3.1318  5697.00    347.037  5525.31    674.777  5758.74    404.656  99.825  6.2728  102.774 3.6352  -2.948883      7.250072  
1 1 1 -10 44  23 o 72.194  3.4911  2843.51    272.978  2995.83    556.070  2795.14    313.332  72.942  7.1297  71.371  4.0702  1.571243       8.209677  
1 1 1 -10 44  24 o 45.846  4.6129  1166.76    225.947  975.994    472.749  1223.23    257.228  40.113  10.688  46.814  5.1588  -6.700848      11.86817  
1 1 1 -10 44  25 o 54.140  4.1492  1620.07    241.458  1899.40    505.791  1537.62    274.793  56.985  8.4510  52.532  4.8856  4.453049       9.761608  
1 1 1 -10 44  26 o 26.477  7.2760  413.314    215.097  394.180    460.867  418.642    243.212  28.298  10.805  26.670  7.8756  1.627876       13.37056  
1 1 1 -10 44  27 o 45.364  5.0686  1160.95    244.785  1506.79    501.542  1052.81    280.458  49.439  9.7127  42.737  6.2431  6.702442       11.54610  
1 1 1 -10 44  28 o 37.706  2.4349  780.047    98.907   724.387    106.463  1130.93    267.306  36.269  2.7302  44.304  5.7029  -8.035828      6.322716  
1 1 1 -10 44  29 o 19.363  7.4738  178.429    222.108  183.325    484.314  177.125    249.941  23.974  10.317  19.883  7.8535  4.090384       12.96577  
1 1 1 -10 44  30 o 19.496  7.7052  177.850    240.723  -563.8939  491.780  411.576    276.056  17.305  8.3965  25.296  8.5150  -7.990200      11.95852  
1 1 1 -10 44  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 44  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 44  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 45  1  o 81.706  2.5451  3616.66    225.227  3581.45    319.214  3651.56    317.828  81.291  3.6255  82.084  3.5749  -0.7926941     5.091577  
1 1 1 -10 45  2  o 213.749 4.3437  24769.99   1005.61  24562.27   1522.15  24930.87   1339.58  212.697 6.6073  214.352 5.7700  -1.654633      8.772048  
1 1 1 -10 45  3  o 266.367 4.8727  38477.50   1405.80  37888.29   1987.72  39067.15   1988.48  264.129 6.9482  268.218 6.8448  -4.088776      9.753395  
1 1 1 -10 45  4  o 453.749 7.8422  111910.40  3854.11  111308.20  5450.22  112512.70  5450.86  451.683 11.141  454.138 11.082  -2.454956      15.71364  
1 1 1 -10 45  5  o 135.357 3.0793  9927.89    451.439  10151.03   636.660  9702.24    640.217  136.832 4.2959  133.768 4.4188  3.063354       6.162799  
1 1 1 -10 45  6  o 298.897 5.2340  48465.71   1694.43  49099.42   2395.41  47831.08   2397.18  300.591 7.3575  296.669 7.4603  3.922089       10.47807  
1 1 1 -10 45  7  o 250.116 4.5103  33923.61   1221.85  33937.80   1726.86  33909.39   1729.05  250.002 6.3774  249.896 6.3882  0.1057892      9.026635  
1 1 1 -10 45  8  o 167.606 3.4565  15225.57   627.470  15665.19   886.062  14783.34   888.698  169.944 4.8138  165.083 4.9703  4.861237       6.919284  
1 1 1 -10 45  9  o 178.350 4.1693  17247.33   805.391  17603.29   1395.89  17069.69   986.077  179.964 7.1613  177.373 5.1328  2.591888       8.810816  
1 1 1 -10 45  10 o 259.601 5.3873  36575.30   1514.76  36217.93   1853.03  37295.08   2629.80  258.187 6.6264  261.589 9.2818  -3.402039      11.40445  
1 1 1 -10 45  11 o 292.396 5.5260  46413.18   1750.04  46427.81   2305.19  46393.27   2688.71  292.180 7.2843  291.847 8.5059  0.3325806      11.19867  
1 1 1 -10 45  12 o 119.509 3.0940  7741.13    400.495  7469.20    565.982  8013.83    566.789  117.339 4.4534  121.548 4.3053  -4.209595      6.194211  
1 1 1 -10 45  13 o 205.722 3.9805  22954.05   886.928  22467.34   1252.28  23443.93   1256.34  203.369 5.6852  207.754 5.5833  -4.384323      7.968342  
1 1 1 -10 45  14 o 222.679 4.2074  26904.68   1014.76  25593.94   1433.62  28220.81   1436.57  216.959 6.1008  227.862 5.8208  -10.90297      8.432178  
1 1 1 -10 45  15 o 146.188 3.3360  11589.63   528.210  11070.72   750.349  12099.39   743.699  142.767 4.8525  149.275 4.5998  -6.507767      6.686182  
1 1 1 -10 45  16 o 154.633 3.3917  12971.78   568.049  13319.77   801.275  12620.19   805.425  156.564 4.7252  152.380 4.8801  4.184143       6.792820  
1 1 1 -10 45  17 f 54.641  3.6149  1627.98    212.729  1740.48    321.051  1539.93    284.027  56.291  5.3293  52.965  5.0106  3.325798       7.314874  
1 1 1 -10 45  18 o 64.001  3.2645  2229.68    225.539  2186.38    328.976  2268.09    309.806  63.179  4.8444  64.409  4.4686  -1.229820      6.590637  
1 1 1 -10 45  19 o 100.183 2.8971  5449.30    314.359  5633.92    433.796  5245.13    456.191  101.756 3.9360  98.138  4.2918  3.617493       5.823379  
1 1 1 -10 45  20 o 96.822  3.0991  5095.24    324.996  5071.24    485.675  5114.71    437.343  96.376  4.6527  96.865  4.1685  -0.4897385     6.246981  
1 1 1 -10 45  21 o 98.265  3.0176  5250.41    321.160  4526.24    641.007  5493.13    371.098  90.322  6.5980  100.454 3.4108  -10.13143      7.427443  
1 1 1 -10 45  22 o 17.151  6.7325  98.548     182.628  331.955    333.489  -1.4333    218.265  25.947  9.3203  16.265  6.9605  9.682013       11.63260  
1 1 1 -10 45  23 o 110.899 3.2723  6704.88    393.051  7176.67    782.526  6545.69    454.550  113.513 6.3907  109.439 3.8348  4.074104       7.452986  
1 1 1 -10 45  24 o 84.688  3.3086  3915.67    303.484  3834.72    620.426  3941.13    347.954  82.387  7.0198  84.857  3.7858  -2.470428      7.975603  
1 1 1 -10 45  25 o 49.702  4.4454  1371.58    236.780  1036.14    494.828  1471.19    269.656  40.867  10.956  51.354  4.9078  -10.48714      12.00463  
1 1 1 -10 45  26 o 60.490  3.9383  2022.16    256.617  2165.77    534.011  1979.03    292.618  60.599  8.3585  59.634  4.5651  0.9653244      9.523866  
1 1 1 -10 45  27 o 26.178  2.0798  375.397    58.485   363.037    60.180   585.543    248.142  25.726  2.1803  31.263  7.4365  -5.536993      7.749530  
1 1 1 -10 45  28 o 36.633  6.3101  791.176    241.334  1228.39    499.370  657.944    275.663  43.015  10.749  32.661  7.8826  10.35345       13.32939  
1 1 1 -10 45  29 o 21.435  7.8011  258.570    234.646  706.305    488.419  124.224    267.543  31.599  11.287  19.149  7.9188  12.45078       13.78780  
1 1 1 -10 45  30 o 21.616  1.3624  255.258    31.733   261.771    31.988   -149.4198  252.139  21.892  1.3557  14.475  6.7173  7.417423       6.852760  
1 1 1 -10 45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 45  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 46  1  o 294.616 5.4575  47089.79   1741.48  48493.50   2297.15  45192.76   2670.46  298.790 7.0983  288.246 8.5537  10.54416       11.11534  
1 1 1 -10 46  2  o 139.767 3.2337  10585.84   489.521  10566.41   713.495  10603.12   672.864  139.589 4.7192  139.842 4.4424  -0.2528839     6.481190  
1 1 1 -10 46  3  o 256.004 5.0885  35548.38   1410.94  34240.40   1865.92  37294.89   2156.15  251.088 6.8611  261.963 7.5992  -10.87515      10.23831  
1 1 1 -10 46  4  o 142.135 3.2122  10947.63   494.512  10324.03   697.839  11576.64   700.861  137.979 4.6695  146.119 4.4285  -8.140793      6.435524  
1 1 1 -10 46  5  o 55.348  2.7473  1659.77    164.694  1556.26    229.525  1769.62    236.455  53.431  3.9950  57.007  3.8522  -3.576080      5.549732  
1 1 1 -10 46  6  o 99.969  2.7633  5414.80    299.195  5395.64    420.217  5434.50    426.096  99.767  3.8888  100.125 3.9291  -0.3576660     5.528174  
1 1 1 -10 46  7  o 255.640 4.5838  35441.18   1269.19  35270.44   1794.44  35612.10   1795.36  254.842 6.5011  256.077 6.4731  -1.234482      9.174170  
1 1 1 -10 46  8  o 207.662 3.9385  23378.87   885.836  22361.77   1249.94  24405.19   1255.60  202.976 5.6856  212.065 5.4665  -9.089294      7.887261  
1 1 1 -10 46  9  o 339.333 6.8076  62567.94   2502.01  62234.86   4334.15  62734.41   3064.13  337.278 11.864  339.500 8.3329  -2.222565      14.49832  
1 1 1 -10 46  10 o 271.388 4.8856  39959.49   1436.08  40315.69   2030.78  39603.19   2031.06  272.350 6.8844  269.923 6.9472  2.426331       9.780540  
1 1 1 -10 46  11 o 147.230 3.2913  11749.68   524.844  11773.86   740.864  11725.32   743.628  147.316 4.6432  147.011 4.6702  0.3055267      6.585600  
1 1 1 -10 46  12 o 128.263 3.1457  8917.34    437.005  9048.76    608.476  8777.34    628.024  129.151 4.3498  127.189 4.5589  1.962463       6.301143  
1 1 1 -10 46  13 o 99.233  2.9898  5337.52    321.341  5140.04    449.799  5543.36    459.237  97.336  4.2665  101.086 4.1945  -3.749657      5.983052  
1 1 1 -10 46  14 o 265.340 5.1720  38244.64   1486.38  38095.56   1964.15  38444.45   2273.80  264.518 6.8557  265.492 7.9073  -0.9744873     10.46548  
1 1 1 -10 46  15 o 92.162  3.0368  4605.46    303.135  4449.40    426.740  4764.43    430.684  90.528  4.3522  93.684  4.2445  -3.155830      6.079249  
1 1 1 -10 46  16 o 182.797 3.7260  18136.55   737.697  17554.26   1047.96  18708.51   1038.63  179.618 5.3867  185.464 5.1705  -5.845444      7.466620  
1 1 1 -10 46  17 o 169.964 3.5320  15684.45   650.209  16036.54   922.385  15336.68   916.710  171.648 4.9614  167.847 5.0425  3.801224       7.074066  
1 1 1 -10 46  18 o 143.663 3.3385  11209.33   519.482  11098.07   716.121  11332.90   754.714  142.759 4.6314  144.226 4.8314  -1.467331      6.692683  
1 1 1 -10 46  19 o 125.962 3.1415  8620.27    428.599  8854.77    618.047  8403.03    594.879  127.452 4.4772  124.169 4.4233  3.283943       6.293700  
1 1 1 -10 46  20 o 36.530  1.7809  723.587    70.465   720.591    73.912   753.483    233.472  36.403  1.8810  36.560  6.1118  -0.1565208     6.394679  
1 1 1 -10 46  21 o 25.938  7.2112  384.226    209.915  629.630    345.073  240.067    264.479  32.970  9.2740  22.721  8.2803  10.24863       12.43265  
1 1 1 -10 46  22 o 71.275  3.3556  2768.44    259.049  2588.87    491.191  2837.63    304.898  67.970  6.7618  71.974  3.9260  -4.003258      7.818972  
1 1 1 -10 46  23 o 107.790 3.2196  6334.13    375.882  6128.79    756.208  6401.52    433.186  104.680 6.7049  108.248 3.6947  -3.567551      7.655543  
1 1 1 -10 46  24 o 63.454  3.5442  2208.25    242.608  1935.93    431.442  2334.18    293.388  58.344  6.9651  65.086  4.1840  -6.741577      8.125180  
1 1 1 -10 46  25 o 50.317  4.0967  1400.88    221.327  1446.44    387.579  1378.83    269.611  49.998  7.3789  49.634  5.0871  0.3639374      8.962468  
1 1 1 -10 46  26 o 22.891  7.4676  294.906    212.743  519.890    452.978  231.237    240.973  30.316  10.865  21.620  7.9000  8.695827       13.43376  
1 1 1 -10 46  27 o 64.080  3.8401  2273.36    265.293  2810.46    557.273  2115.97    301.670  69.235  7.5540  61.539  4.5584  7.695786       8.822835  
1 1 1 -10 46  28 o 37.677  5.9083  830.886    233.174  1237.94    501.641  718.699    263.354  42.917  10.800  34.342  7.3047  8.574699       13.03861  
1 1 1 -10 46  29 o 34.453  6.5252  723.133    234.583  1150.07    501.911  603.805    265.348  39.792  11.182  30.667  7.9299  9.125408       13.70828  
1 1 1 -10 46  30 o 35.991  7.6795  831.176    290.240  927.981    519.452  787.236    349.965  34.562  11.680  33.801  9.2776  0.7607918      14.91650  
1 1 1 -10 46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 46  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 47  1  o 150.284 3.2780  12239.27   533.572  12185.65   754.762  12292.84   754.407  149.904 4.6486  150.563 4.6261  -0.6588135     6.558258  
1 1 1 -10 47  2  o 359.664 6.7903  70254.39   2645.21  69822.15   4081.81  70567.34   3473.22  357.841 10.532  360.096 8.9052  -2.254791      13.79190  
1 1 1 -10 47  3  o 51.721  2.8372  1453.79    158.333  1524.02    221.143  1379.93    226.796  52.881  3.8883  50.276  4.2035  2.605476       5.726084  
1 1 1 -10 47  4  f 181.962 3.6696  17946.11   723.212  18126.43   1021.77  17765.07   1023.79  182.797 5.1607  180.962 5.2234  1.834946       7.342823  
1 1 1 -10 47  5  o 91.318  2.7684  4518.23    273.811  4565.37    384.783  4469.88    389.720  91.771  3.8711  90.804  3.9626  0.9669418      5.539632  
1 1 1 -10 47  6  o 98.610  2.7011  5268.60    288.486  5144.62    406.758  5394.09    409.216  97.419  3.8550  99.754  3.7875  -2.335793      5.404252  
1 1 1 -10 47  7  o 129.721 3.0331  9118.67    426.159  9373.65    599.829  8858.79    605.570  131.483 4.2120  127.815 4.3743  3.668045       6.072537  
1 1 1 -10 47  8  o 149.366 3.2578  12091.27   527.036  11907.42   745.919  12274.55   744.764  148.168 4.6480  150.439 4.5708  -2.270645      6.518880  
1 1 1 -10 47  9  o 87.164  3.5366  4118.29    333.885  4719.94    547.117  3761.26    421.465  93.096  5.4498  83.138  4.6997  9.957642       7.196348  
1 1 1 -10 47  10 o 211.909 4.0733  24350.75   934.908  24762.83   1320.82  23937.00   1323.50  213.559 5.7103  209.957 5.8200  3.601761       8.153505  
1 1 1 -10 47  11 o 399.893 6.8735  86955.17   2977.10  86831.70   4208.72  87078.82   4211.78  398.792 9.7439  399.362 9.7371  -0.5693359     13.77515  
1 1 1 -10 47  12 o 353.658 6.0989  67970.09   2336.18  66120.19   3300.97  69826.50   3306.76  348.172 8.7534  357.861 8.5314  -9.689117      12.22320  
1 1 1 -10 47  13 f 29.228  5.6268  479.809    171.666  409.112    233.956  562.265    252.667  27.053  7.6456  31.503  7.5109  -4.449795      10.71771  
1 1 1 -10 47  14 o 290.390 5.1844  45814.16   1630.60  44352.13   2304.64  47279.70   2307.40  285.229 7.4600  294.551 7.2326  -9.321777      10.39044  
1 1 1 -10 47  15 o 213.965 4.3091  24858.39   998.614  25041.51   1333.18  24624.31   1507.31  214.533 5.7375  212.589 6.5462  1.944229       8.704716  
1 1 1 -10 47  16 o 146.808 3.3086  11694.23   526.099  11373.38   744.801  12013.73   743.235  144.632 4.7545  148.665 4.6158  -4.032745      6.626538  
1 1 1 -10 47  17 f 142.238 3.4944  10986.02   538.341  11134.72   768.931  10843.07   753.947  143.003 4.9645  141.122 4.9326  1.880356       6.998310  
1 1 1 -10 47  18 o 130.034 3.1887  9182.87    449.102  8474.06    648.845  9834.75    622.243  124.691 4.8043  134.419 4.2739  -9.727852      6.430261  
1 1 1 -10 47  19 o 99.536  3.0171  5382.30    325.262  5238.23    466.680  5518.39    453.581  98.022  4.3957  100.644 4.1610  -2.621956      6.052727  
1 1 1 -10 47  20 o 82.377  3.1181  3689.66    278.200  3908.06    422.671  3522.73    369.530  84.451  4.6387  80.241  4.2673  4.210373       6.302925  
1 1 1 -10 47  21 o 21.995  7.3494  255.214    205.635  409.246    334.669  161.789    260.640  27.707  9.3753  20.866  8.0843  6.841467       12.37945  
1 1 1 -10 47  22 o 85.152  3.1302  3948.89    288.697  3338.84    563.872  4165.62    336.088  77.220  6.8117  87.388  3.5509  -10.16777      7.681633  
1 1 1 -10 47  23 o 61.970  3.7974  2107.28    253.653  2289.52    515.393  2049.03    291.385  63.393  7.6617  60.957  4.4440  2.435760       8.857278  
1 1 1 -10 47  24 o 52.797  4.1937  1539.90    237.842  1678.63    491.037  1497.38    271.862  53.486  8.7810  51.873  4.8967  1.612934       10.05405  
1 1 1 -10 47  25 o 32.372  6.4091  607.966    216.766  355.099    453.822  682.708    246.731  27.700  10.686  34.198  6.8991  -6.498503      12.71921  
1 1 1 -10 47  26 f 63.793  3.8455  2247.23    264.458  2197.54    548.265  2262.29    301.901  60.865  8.5527  63.821  4.3943  -2.955093      9.615502  
1 1 1 -10 47  27 o 65.710  3.6553  2387.07    259.122  2460.99    569.019  2367.73    291.051  64.064  8.4032  65.255  4.1394  -1.191536      9.367430  
1 1 1 -10 47  28 o 19.547  7.4434  182.274    218.341  -143.2683  466.389  273.648    247.090  20.496  9.3742  22.238  8.0188  -1.742582      12.33598  
1 1 1 -10 47  29 o 14.940  1.9784  124.056    31.226   125.955    31.478   6.9017     247.238  15.056  1.9782  16.574  7.2487  -1.517535      7.513781  
1 1 1 -10 47  30 o 16.202  7.3804  -85.3954   285.411  -334.7801  483.283  48.164     353.675  18.516  8.8085  19.520  8.5999  -1.004742      12.31046  
1 1 1 -10 47  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 47  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 48  1  o 176.378 3.4691  16860.07   662.718  16055.67   937.013  17665.19   937.436  172.047 5.0284  180.477 4.7957  -8.430649      6.948606  
1 1 1 -10 48  2  o 177.560 3.8240  17089.64   735.406  16950.90   1099.47  17201.96   989.280  176.734 5.7437  178.076 5.1291  -1.341782      7.700508  
1 1 1 -10 48  3  o 293.057 5.2540  46592.07   1667.69  45079.65   2358.16  48105.28   2358.78  287.989 7.5601  297.531 7.3196  -9.541565      10.52286  
1 1 1 -10 48  4  o 253.126 4.6765  34748.00   1282.11  33896.10   1812.18  35601.78   1814.18  249.818 6.6974  256.043 6.5418  -6.225449      9.362186  
1 1 1 -10 48  5  o 155.527 3.2936  13108.80   554.809  12807.60   781.235  13415.28   788.045  153.673 4.6937  157.279 4.6260  -3.606674      6.590218  
1 1 1 -10 48  6  o 249.721 4.5404  33818.96   1228.06  32459.02   1735.24  35183.60   1738.24  244.463 6.5536  254.544 6.3049  -10.08093      9.093988  
1 1 1 -10 48  7  o 175.255 3.5549  16648.23   674.795  16617.16   954.281  16679.31   954.326  175.014 5.0342  175.341 5.0251  -0.3275299     7.113018  
1 1 1 -10 48  8  o 188.702 3.7689  19303.66   770.291  19452.98   1087.60  19153.37   1091.12  189.334 5.3036  187.866 5.3623  1.467957       7.542055  
1 1 1 -10 48  9  o 203.084 6.3586  22404.93   1398.64  21976.71   1749.49  23163.30   2328.22  200.947 8.0382  205.683 10.486  -4.735733      13.21227  
1 1 1 -10 48  10 o 389.612 6.6718  82509.31   2815.44  82376.22   3980.35  82642.59   3982.93  388.577 9.4574  389.207 9.4482  -0.6304932     13.36835  
1 1 1 -10 48  11 o 208.996 4.0172  23689.11   909.343  23672.00   1282.90  23706.39   1289.14  208.770 5.6735  208.919 5.6971  -0.1491241     8.040236  
1 1 1 -10 48  12 o 213.721 4.0813  24776.23   944.749  24525.09   1333.46  25029.35   1338.71  212.461 5.7947  214.639 5.7585  -2.177444      8.169371  
1 1 1 -10 48  13 o 198.445 4.1092  21366.48   883.224  20638.46   1180.02  22293.92   1331.86  194.880 5.5905  202.482 6.0730  -7.602234      8.254365  
1 1 1 -10 48  14 o 174.057 3.5957  16433.81   677.873  15957.17   956.614  16914.55   960.715  171.365 5.1540  176.446 5.0270  -5.080292      7.199637  
1 1 1 -10 48  15 o 97.365  3.0444  5141.18    321.048  5023.19    445.120  5269.12    463.500  96.175  4.2731  98.497  4.3447  -2.321579      6.093894  
1 1 1 -10 48  16 o 78.212  2.7111  3317.36    229.661  3423.29    293.775  3150.86    368.294  79.418  3.4153  76.000  4.4942  3.418663       5.644599  
1 1 1 -10 48  17 o 52.133  3.5334  1482.89    198.333  1584.10    289.711  1393.62    272.090  53.692  5.0408  50.328  5.0601  3.363724       7.142459  
1 1 1 -10 48  18 o 50.873  3.5984  1413.92    196.995  1291.26    288.824  1520.62    269.377  48.286  5.6281  52.599  4.7806  -4.312977      7.384420  
1 1 1 -10 48  19 o 34.493  1.4880  644.835    55.589   329.404    254.467  660.642    56.965   24.844  8.1701  34.913  1.5064  -10.06833      8.307838  
1 1 1 -10 48  20 o 97.754  3.1390  5196.68    332.353  5197.05    491.384  5196.38    451.217  97.513  4.6525  97.578  4.2694  -0.6414032E-01 6.314545  
1 1 1 -10 48  21 o 20.682  7.1015  218.680    192.080  383.736    285.700  82.536     259.474  26.503  8.6542  19.215  7.8559  7.288231       11.68804  
1 1 1 -10 48  22 o 70.387  3.2998  2700.24    251.568  2572.01    486.298  2747.09    293.958  67.715  6.7192  70.812  3.8471  -3.097107      7.742617  
1 1 1 -10 48  23 o 89.551  2.9243  4368.63    283.633  4284.81    447.889  4424.75    366.483  88.156  4.7079  89.951  3.7616  -1.795227      6.026104  
1 1 1 -10 48  24 o 54.304  4.1457  1628.73    241.995  1293.91    494.348  1734.25    277.521  46.180  10.159  55.915  4.6239  -9.735592      11.16219  
1 1 1 -10 48  25 o 56.244  4.0869  1749.76    247.267  1989.93    510.176  1676.02    282.689  58.215  8.3287  54.820  4.8096  3.394424       9.617653  
1 1 1 -10 48  26 o 25.879  7.3727  395.400    216.653  554.299    453.404  348.383    246.632  30.889  10.892  24.684  8.0398  6.205141       13.53761  
1 1 1 -10 48  27 f 36.767  5.4484  776.728    210.399  356.329    485.848  873.767    233.422  27.416  10.911  38.935  5.7044  -11.51904      12.31231  
1 1 1 -10 48  28 o 43.411  2.3521  1034.55    110.178  1000.43    120.320  1211.73    274.177  42.618  2.6193  45.602  5.6738  -2.984249      6.249204  
1 1 1 -10 48  29 o 44.194  5.2567  1139.55    246.686  1362.63    519.845  1074.71    280.250  43.525  11.017  42.257  6.3170  1.268066       12.69972  
1 1 1 -10 48  30 o 27.306  8.8473  502.828    298.846  464.734    505.240  523.328    370.635  26.969  10.987  27.576  9.8342  -0.6068249     14.74522  
1 1 1 -10 48  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 48  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 49  1  o 389.419 7.1082  82394.23   2998.09  83580.13   3933.58  80750.38   4631.20  391.764 9.2703  384.608 11.117  7.155945       14.47537  
1 1 1 -10 49  2  o 217.391 4.3478  25624.49   1023.72  24729.33   1550.37  26316.51   1363.16  213.379 6.7083  220.208 5.7153  -6.829193      8.812869  
1 1 1 -10 49  3  o 174.257 3.4517  16457.44   651.464  16670.03   920.986  16244.55   921.633  175.312 4.8503  173.057 4.9170  2.255463       6.906679  
1 1 1 -10 49  4  o 423.338 7.0997  97380.55   3255.36  93066.59   4602.90  101697.80  4604.64  413.094 10.288  431.953 9.8421  -18.85928      14.23733  
1 1 1 -10 49  5  o 188.647 3.9185  19292.77   800.638  19167.90   1073.69  19449.17   1201.63  187.956 5.2741  189.288 5.8611  -1.332031      7.884706  
1 1 1 -10 49  6  o 328.460 6.1902  58582.03   2202.19  57321.25   2895.58  60311.79   3391.65  324.573 8.2367  332.693 9.4123  -8.119598      12.50741  
1 1 1 -10 49  7  o 180.112 3.5361  17583.97   689.818  17466.71   974.599  17701.69   976.504  179.430 5.0149  180.634 4.9912  -1.204422      7.075389  
1 1 1 -10 49  8  o 111.432 2.9365  6728.84    354.418  6857.99    503.182  6601.69    499.286  112.460 4.1310  110.337 4.1779  2.123169       5.875375  
1 1 1 -10 49  9  o 145.590 3.7513  11491.97   591.542  11609.93   721.506  11250.09   1033.18  146.296 4.5534  143.878 6.6300  2.418777       8.042994  
1 1 1 -10 49  10 o 92.584  2.9101  4645.47    291.820  4688.07    408.840  4601.22    416.663  92.975  4.0599  92.106  4.1766  0.8690338      5.824702  
1 1 1 -10 49  11 f 96.336  2.9572  5030.03    308.556  5243.44    431.741  4807.23    441.138  98.324  4.0541  94.135  4.3267  4.188606       5.929230  
1 1 1 -10 49  12 o 344.725 6.0024  64593.71   2241.12  63444.01   3167.57  65746.11   3171.28  340.989 8.5766  347.164 8.4339  -6.174286      12.02871  
1 1 1 -10 49  13 o 241.926 4.4804  31770.04   1174.01  31417.19   1658.32  32124.60   1662.29  240.292 6.3717  242.992 6.3160  -2.700180      8.971710  
1 1 1 -10 49  14 o 100.207 3.0385  5444.79    329.785  4892.60    467.906  5989.87    464.882  94.915  4.5515  105.049 4.0858  -10.13418      6.116359  
1 1 1 -10 49  15 o 193.111 3.8517  20245.01   805.620  20533.36   1135.34  19952.58   1143.34  194.253 5.3962  191.466 5.5133  2.787033       7.714623  
1 1 1 -10 49  16 o 126.916 3.1323  8740.68    430.569  8275.57    608.091  9208.31    609.744  123.355 4.5514  130.148 4.3255  -6.792801      6.278944  
1 1 1 -10 49  17 o 71.859  3.0978  2803.25    241.105  2911.12    344.898  2700.16    337.181  73.010  4.3818  70.295  4.4516  2.714935       6.246348  
1 1 1 -10 49  18 o 59.494  3.4013  1930.08    218.262  1765.46    326.699  2062.79    293.327  56.585  5.3960  61.367  4.4432  -4.782265      6.989876  
1 1 1 -10 49  19 o 126.489 3.1786  8697.78    435.464  9114.07    643.503  8346.10    591.461  129.210 4.5982  123.685 4.4151  5.524948       6.374640  
1 1 1 -10 49  20 o 186.518 3.7852  18958.71   764.680  19167.06   1092.03  18758.27   1071.11  186.938 5.3935  184.954 5.3469  1.984177       7.594666  
1 1 1 -10 49  21 o 98.281  3.2187  5259.44    342.629  5408.92    514.828  5140.59    459.056  99.343  4.7847  96.943  4.3720  2.400383       6.481309  
1 1 1 -10 49  22 o 83.320  3.1467  3782.16    283.967  3191.54    551.145  3995.61    331.331  75.429  6.8199  85.564  3.5752  -10.13539      7.700227  
1 1 1 -10 49  23 o 86.840  3.3225  4116.32    312.499  3933.22    633.621  4175.18    359.228  83.468  7.0753  87.353  3.7968  -3.885468      8.029700  
1 1 1 -10 49  24 o 73.604  3.5455  2965.35    282.645  3140.70    577.151  2910.02    324.180  74.188  7.2763  72.662  4.1363  1.525887       8.369774  
1 1 1 -10 49  25 o 17.066  7.0034  68.580     207.172  -417.8549  443.148  204.627    234.359  18.235  8.6032  20.888  7.7631  -2.652430      11.58799  
1 1 1 -10 49  26 o 53.825  2.3337  1578.78    136.049  1628.80    155.829  1418.40    279.022  54.624  2.6339  50.154  5.2126  4.470013       5.840219  
1 1 1 -10 49  27 o 22.798  7.6221  297.613    221.178  206.178    475.192  322.900    249.898  25.015  10.466  23.758  8.1010  1.256832       13.23505  
1 1 1 -10 49  28 f 42.414  5.3703  1045.66    241.178  968.133    516.637  1067.26    272.718  36.614  11.609  42.447  6.1079  -5.832706      13.11741  
1 1 1 -10 49  29 o 63.590  4.2094  2291.96    288.281  2058.20    591.775  2364.70    330.097  54.602  10.386  64.186  4.7826  -9.583897      11.43425  
1 1 1 -10 49  30 o 21.362  9.0460  176.777    361.866  -6.9663    509.650  363.590    513.888  21.566  9.8387  25.600  10.807  -4.034725      14.61464  
1 1 1 -10 49  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 49  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 50  1  o 292.139 5.3090  46305.71   1679.85  47266.23   2376.18  45346.02   2375.15  294.887 7.4397  288.812 7.5928  6.074158       10.63014  
1 1 1 -10 50  2  o 339.471 5.8656  62552.49   2156.70  63755.02   3050.23  61350.28   3049.83  342.339 8.2263  335.792 8.3856  6.547882       11.74696  
1 1 1 -10 50  3  o 605.042 10.138  199623.20  6643.48  198061.50  9395.12  201184.91  9395.49  600.547 14.444  605.329 14.330  -4.782471      20.34666  
1 1 1 -10 50  4  o 234.111 4.6380  29724.97   1176.05  29554.03   1561.44  29949.07   1787.84  233.304 6.1792  234.768 7.0310  -1.464111      9.360435  
1 1 1 -10 50  5  o 213.988 4.3139  24830.25   999.838  24707.06   1331.99  24989.26   1513.26  213.348 5.7642  214.494 6.5137  -1.146317      8.697989  
1 1 1 -10 50  6  o 303.549 5.7353  50016.53   1885.62  50266.98   2483.67  49675.73   2897.17  304.049 7.5419  302.024 8.8565  2.024353       11.63260  
1 1 1 -10 50  7  o 304.599 5.3695  50353.45   1771.47  50550.83   2504.59  50155.86   2505.89  304.870 7.5849  303.671 7.6188  1.199127       10.75071  
1 1 1 -10 50  8  o 372.160 7.4057  75329.30   2985.16  68747.66   5169.74  78621.50   3656.32  353.779 13.492  379.848 8.8872  -26.06958      16.15575  
1 1 1 -10 50  9  o 357.267 7.1145  69416.41   2753.01  69561.66   3370.10  69125.09   4773.01  357.266 8.7093  354.990 12.414  2.275543       15.16425  
1 1 1 -10 50  10 o 176.647 3.7496  16919.90   717.408  17003.67   965.356  16816.58   1072.17  176.994 5.0357  175.968 5.6255  1.025894       7.550098  
1 1 1 -10 50  11 o 139.733 3.2835  10584.99   496.941  11018.75   687.461  10110.30   719.172  142.505 4.4540  136.479 4.8651  6.026016       6.596011  
1 1 1 -10 50  12 o 404.777 6.9346  89196.81   3040.23  88849.63   4298.63  89544.29   4300.44  402.918 9.8502  404.505 9.8156  -1.586884      13.90584  
1 1 1 -10 50  13 o 342.928 5.9777  63969.14   2220.27  62730.16   3138.27  65210.76   3141.60  338.807 8.5520  345.498 8.3953  -6.690491      11.98403  
1 1 1 -10 50  14 o 163.315 3.5739  14471.29   632.175  14338.61   857.167  14629.52   936.099  162.434 4.8721  164.025 5.2692  -1.591080      7.176474  
1 1 1 -10 50  15 o 255.138 4.6836  35391.52   1294.26  35442.63   1829.50  35340.32   1831.21  254.820 6.6287  254.447 6.6446  0.3728485      9.385679  
1 1 1 -10 50  16 o 77.003  3.0447  3217.67    253.939  3226.53    358.371  3208.73    359.882  76.910  4.3196  76.693  4.3504  0.2169800      6.130626  
1 1 1 -10 50  17 o 110.778 3.0429  6662.76    365.095  6393.25    516.473  6931.96    516.171  108.364 4.4004  112.861 4.2226  -4.496826      6.098667  
1 1 1 -10 50  18 o 51.601  3.3282  1453.29    185.019  1719.92    285.200  1259.53    243.120  55.946  4.7516  47.813  4.7578  8.132401       6.724197  
1 1 1 -10 50  19 o 67.473  3.2508  2475.87    237.574  3047.72    364.500  2053.53    313.252  74.579  4.5339  61.122  4.7696  13.45752       6.580684  
1 1 1 -10 50  20 o 55.478  3.7762  1685.36    225.558  1717.04    343.553  1661.36    299.035  55.594  5.7905  54.834  5.0932  0.7603188      7.711703  
1 1 1 -10 50  21 o 66.040  3.4971  2384.20    249.253  2018.81    379.852  2660.50    330.311  60.212  5.9003  69.587  4.4053  -9.374279      7.363423  
1 1 1 -10 50  22 o 97.220  3.1648  5150.79    333.250  5494.21    693.183  5047.56    380.052  99.225  6.4856  96.141  3.6497  3.084129       7.442027  
1 1 1 -10 50  23 o 102.504 2.9377  5726.63    326.145  6533.81    729.199  5524.78    364.651  108.113 6.2540  100.585 3.3471  7.527573       7.093370  
1 1 1 -10 50  24 o 28.068  7.1430  462.308    217.693  -63.4511   460.703  613.443    247.008  22.179  9.7910  32.334  7.2341  -10.15431      12.17356  
1 1 1 -10 50  25 o 57.810  4.1051  1849.94    255.367  2077.47    540.815  1784.65    289.697  59.202  8.6931  56.560  4.7735  2.641449       9.917497  
1 1 1 -10 50  26 o 20.476  7.4821  207.558    216.159  515.096    468.225  124.260    243.681  30.130  11.012  19.191  7.6971  10.93860       13.43509  
1 1 1 -10 50  27 o 30.008  7.1976  546.945    230.928  1056.85    500.790  409.239    260.250  39.592  11.185  25.997  8.2388  13.59564       13.89159  
1 1 1 -10 50  28 o 13.590  6.1615  -78.8521   195.951  -190.0713  486.910  -57.3583   214.050  20.182  9.3548  14.578  6.5392  5.603491       11.41372  
1 1 1 -10 50  29 o 54.238  7.1873  1814.17    411.822  2510.55    583.988  1125.29    580.832  61.959  8.9626  37.780  12.340  24.17934       15.25104  
1 1 1 -10 50  30 o 19.019  8.5123  7.6840     360.599  185.439    511.085  -168.5200  508.851  23.388  10.319  20.082  9.3934  3.305832       13.95425  
1 1 1 -10 50  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 51  1  o 75.745  2.8352  3108.74    232.598  2692.22    330.384  3518.07    327.521  70.327  4.3588  80.561  3.7536  -10.23357      5.752298  
1 1 1 -10 51  2  o 155.980 3.3981  13186.29   574.085  13049.47   781.467  13346.70   846.143  155.115 4.6514  156.855 4.9805  -1.739532      6.814792  
1 1 1 -10 51  3  o 54.142  2.8228  1592.65    164.959  1570.46    234.182  1614.50    232.403  53.668  4.0588  54.427  3.9698  -0.7589035     5.677368  
1 1 1 -10 51  4  o 121.741 2.9925  8031.23    394.589  7591.13    563.084  8455.88    553.115  118.315 4.3940  124.884 4.0892  -6.568527      6.002428  
1 1 1 -10 51  5  o 358.108 6.1856  69639.66   2399.19  66471.82   3391.87  72811.62   3394.08  349.345 8.9643  365.715 8.5686  -16.37039      12.40075  
1 1 1 -10 51  6  o 429.507 8.5441  100444.20  3974.73  101101.00  5621.38  99787.52   5620.84  429.756 12.077  426.925 12.156  2.830750       17.13502  
1 1 1 -10 51  7  o 84.505  2.7827  3869.58    254.693  3763.88    362.495  3972.64    357.929  83.316  4.0170  85.599  3.8606  -2.283371      5.571439  
1 1 1 -10 51  8  o 199.514 4.4849  21592.42   969.151  21255.50   1674.22  21762.21   1188.53  197.620 7.8219  200.216 5.4808  -2.595642      9.550946  
1 1 1 -10 51  9  o 216.038 4.7220  25324.79   1104.90  25784.67   1352.53  24402.26   1915.67  217.890 5.7311  211.627 8.3576  6.262848       10.13383  
1 1 1 -10 51  10 o 227.449 4.2829  28063.56   1055.10  29063.03   1491.95  27063.56   1492.33  231.281 5.9559  223.156 6.1743  8.124786       8.578708  
1 1 1 -10 51  11 o 319.282 5.6349  55386.79   1948.64  57862.40   2754.85  52907.79   2756.73  325.852 7.8056  311.496 8.1709  14.35605       11.30007  
1 1 1 -10 51  12 o 83.908  3.0168  3816.80    274.165  3526.38    380.222  4131.33    395.697  80.487  4.3780  87.254  4.1870  -6.767052      6.057898  
1 1 1 -10 51  13 o 125.463 3.0973  8535.52    420.893  8021.19    590.583  9066.38    599.994  121.539 4.4864  129.230 4.2866  -7.691124      6.205021  
1 1 1 -10 51  14 o 69.317  3.1454  2606.13    236.150  2757.52    329.235  2445.71    338.908  71.125  4.2939  66.921  4.7057  4.203819       6.370341  
1 1 1 -10 51  15 o 103.936 3.0113  5860.56    338.987  5489.39    477.367  6238.13    481.458  100.491 4.3859  107.147 4.1487  -6.655472      6.037158  
1 1 1 -10 51  16 o 97.301  2.9774  5137.95    313.784  4764.23    442.560  5515.75    444.964  93.582  4.3663  100.721 4.0788  -7.139793      5.975024  
1 1 1 -10 51  17 o 195.787 4.0324  20858.26   855.109  20730.41   1145.31  21019.30   1285.40  194.810 5.4280  195.957 6.0563  -1.146851      8.132753  
1 1 1 -10 51  18 o 32.626  5.1834  595.901    177.042  449.876    267.544  709.656    236.138  28.205  8.2408  35.423  6.3898  -7.218409      10.42784  
1 1 1 -10 51  19 o 149.392 3.3760  12143.13   546.264  11861.91   791.837  12398.50   754.577  147.252 4.9648  150.646 4.6246  -3.394028      6.785011  
1 1 1 -10 51  20 o 178.993 3.8421  17473.52   744.863  17566.70   1139.72  17404.04   984.117  178.622 5.8910  178.160 5.1000  0.4626770      7.791916  
1 1 1 -10 51  21 o 150.535 3.4315  12353.31   559.482  12326.84   816.924  12376.70   767.811  149.806 5.0348  150.237 4.7185  -0.4313202     6.900267  
1 1 1 -10 51  22 o 47.437  2.1684  1222.37    111.413  1522.79    476.401  1204.98    114.590  51.082  8.9361  47.093  2.2466  3.988712       9.214159  
1 1 1 -10 51  23 o 137.488 3.3530  10326.12   499.303  11498.15   1005.66  9942.69    575.208  143.401 6.4748  134.689 3.9430  8.712357       7.580907  
1 1 1 -10 51  24 o 37.510  1.9968  766.867    80.831   765.037    85.122   783.654    257.831  37.452  2.1070  36.784  6.7191  0.6675987      7.041722  
1 1 1 -10 51  25 o 74.293  2.7958  3013.50    224.969  3544.75    597.879  2925.88    242.815  78.589  7.1007  73.145  3.0649  5.443657       7.733911  
1 1 1 -10 51  26 o 14.775  6.5767  -59.2261   212.115  -4.8596    455.612  -74.2707   239.674  22.299  9.7943  15.540  6.9485  6.759459       12.00872  
1 1 1 -10 51  27 o 113.154 3.3520  7067.76    410.813  7228.97    838.550  7016.85    471.238  110.769 7.0258  112.392 3.8711  -1.622322      8.021662  
1 1 1 -10 51  28 o 39.156  5.9298  910.222    243.615  757.063    523.157  952.629    275.283  32.456  11.672  39.650  6.6452  -7.194649      13.43112  
1 1 1 -10 51  29 o 40.367  9.0516  1091.73    385.980  1400.24    543.282  777.303    548.472  43.367  11.412  32.059  11.884  11.30860       16.47571  
1 1 1 -10 51  30 o 26.889  11.111  475.169    526.160  0.0000     0.0000   475.169    526.160  ?       ?       26.889  11.111  0.000000       11.11128  
1 1 1 -10 51  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 52  1  o 81.042  2.3421  3558.20    205.584  3632.28    268.003  3452.28    320.457  81.871  3.0223  79.804  3.7075  2.067177       4.783261  
1 1 1 -10 52  2  o 444.265 7.6476  107325.50  3679.94  108241.20  5204.41  106409.90  5204.02  445.256 10.792  441.443 10.884  3.813354       15.32732  
1 1 1 -10 52  3  o 359.185 6.1521  70055.55   2393.37  71906.88   3384.77  68204.30   3384.71  363.436 8.5987  353.905 8.8301  9.530945       12.32507  
1 1 1 -10 52  4  o 163.500 3.5294  14489.90   625.019  14519.46   927.035  14465.26   846.293  163.578 5.2324  163.299 4.7848  0.2791595      7.090329  
1 1 1 -10 52  5  o 243.825 4.5022  32244.04   1188.99  32451.94   1680.55  32035.69   1682.41  244.428 6.3479  242.850 6.3962  1.578201       9.011542  
1 1 1 -10 52  6  o 187.866 3.9030  19135.74   794.180  19173.52   1066.07  19088.62   1190.48  187.963 5.2365  187.496 5.8622  0.4667053      7.860434  
1 1 1 -10 52  7  o 104.497 2.8980  5917.56    328.001  6025.04    460.981  5807.35    466.799  105.408 4.0377  103.482 4.1648  1.926132       5.800783  
1 1 1 -10 52  8  f 370.517 7.3824  74694.34   2962.61  73514.88   5130.72  75284.30   3628.68  365.812 12.949  371.551 9.0169  -5.739197      15.77949  
1 1 1 -10 52  9  o 103.960 3.3108  5858.64    372.787  5572.32    453.270  6457.15    655.332  101.360 4.1288  108.900 5.5747  -7.540871      6.937140  
1 1 1 -10 52  10 o 85.325  2.9326  3945.97    271.018  4161.22    383.898  3732.10    382.659  87.588  4.0467  82.831  4.2799  4.756889       5.890137  
1 1 1 -10 52  11 o 347.443 6.0355  65634.17   2271.26  66990.52   3211.98  64277.70   3212.12  350.345 8.4646  343.122 8.6432  7.223785       12.09768  
1 1 1 -10 52  12 o 202.300 3.9122  22204.94   857.212  22756.34   1212.65  21654.21   1211.91  204.612 5.4719  199.577 5.6065  5.034637       7.834143  
1 1 1 -10 52  13 f 206.494 4.0282  23145.69   900.915  22875.32   1273.91  23416.21   1274.27  205.039 5.7363  207.460 5.6710  -2.421021      8.066283  
1 1 1 -10 52  14 o 168.223 3.5303  15358.61   643.242  15140.72   907.156  15578.95   912.228  166.842 5.0200  169.246 4.9764  -2.403656      7.068618  
1 1 1 -10 52  15 o 58.043  3.3730  1834.96    211.136  1924.44    296.629  1743.08    300.593  59.296  4.6561  56.371  4.9743  2.925564       6.813412  
1 1 1 -10 52  16 o 153.431 3.4811  12788.69   578.502  12656.60   789.085  12942.19   850.628  152.426 4.7796  154.074 5.0973  -1.647949      6.987655  
1 1 1 -10 52  17 o 55.928  3.5302  1707.28    212.745  1579.33    309.796  1821.47    292.668  53.488  5.4224  57.601  4.7329  -4.113293      7.197448  
1 1 1 -10 52  18 o 121.022 3.1464  7961.08    412.436  7917.87    594.450  8001.19    572.702  120.451 4.5565  121.121 4.3655  -0.6702576     6.310310  
1 1 1 -10 52  19 o 122.820 3.1743  8204.22    422.272  8094.39    606.373  8307.65    588.397  121.709 4.5999  123.347 4.4042  -1.638817      6.368384  
1 1 1 -10 52  20 o 152.015 3.3824  12586.70   556.909  12682.48   801.835  12497.44   774.075  152.126 4.8664  151.061 4.7311  1.064957       6.787142  
1 1 1 -10 52  21 o 139.464 3.3081  10600.12   499.708  10733.41   724.234  10479.00   690.370  139.859 4.7810  138.255 4.6103  1.604065       6.641739  
1 1 1 -10 52  22 o 65.520  3.9671  2358.00    280.198  2641.45    537.346  2252.15    328.377  68.231  7.3892  63.822  4.7853  4.408936       8.803357  
1 1 1 -10 52  23 o 53.342  4.1711  1571.66    239.068  1771.90    502.540  1513.09    271.793  54.983  8.7304  52.148  4.8684  2.835068       9.996077  
1 1 1 -10 52  24 o 117.248 3.2824  7520.32    416.831  8520.86    841.247  7194.75    479.881  122.985 6.3370  114.457 3.8710  8.527824       7.425737  
1 1 1 -10 52  25 o 126.877 3.3315  8820.84    457.816  9942.35    925.172  8457.17    526.842  132.596 6.4420  123.954 3.9242  8.642555       7.543134  
1 1 1 -10 52  26 o 7.6375  2.8128  25.270     30.634   24.404     30.879   79.233     243.723  7.5965  2.8190  18.229  7.5499  -10.63269      8.059045  
1 1 1 -10 52  27 o 72.697  3.5725  2929.21    281.292  2990.55    507.522  2902.02    337.947  71.230  6.6555  71.837  4.3641  -0.6065674     7.958741  
1 1 1 -10 52  28 o 49.775  2.4185  1359.33    130.386  1378.95    134.305  1037.80    543.690  50.118  2.4742  37.244  11.919  12.87363       12.17343  
1 1 1 -10 52  29 o 21.683  2.5536  262.250    58.820   253.484    59.200   938.564    519.984  21.296  2.6220  34.903  11.687  -13.60734      11.97726  
1 1 1 -10 52  30 o 39.005  11.989  1248.27    555.605  0.0000     0.0000   1248.27    555.605  ?       ?       39.005  11.989  0.000000       11.98949  
1 1 1 -10 52  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 53  1  f 196.228 3.9553  20876.38   840.638  21257.15   1264.05  20574.43   1125.64  197.871 5.8981  194.712 5.3375  3.158920       7.954605  
1 1 1 -10 53  2  o 232.747 4.3612  29377.19   1099.42  29132.96   1554.42  29621.66   1555.20  231.614 6.1963  233.553 6.1479  -1.939606      8.728774  
1 1 1 -10 53  3  o 185.785 3.7071  18711.18   745.949  19021.02   1054.91  18401.31   1054.95  187.225 5.2021  184.143 5.2894  3.081375       7.418894  
1 1 1 -10 53  4  o 73.088  2.4348  2894.16    192.746  2708.97    245.454  3192.05    311.301  70.699  3.2054  76.734  3.7456  -6.034431      4.929963  
1 1 1 -10 53  5  o 224.368 4.1158  27298.21   1000.21  26844.29   1413.10  27753.95   1415.91  222.344 5.8678  226.089 5.7821  -3.744553      8.237974  
1 1 1 -10 53  6  o 50.940  1.7921  1405.62    98.877   1183.63    220.235  1461.67    110.657  46.504  4.4258  51.944  1.9669  -5.439697      4.843155  
1 1 1 -10 53  7  o 199.133 4.0703  21504.88   877.889  21418.43   1322.82  21572.92   1173.58  198.553 6.1511  199.338 5.4357  -0.7848511     8.208706  
1 1 1 -10 53  8  o 51.808  4.6871  1468.25    260.163  1483.10    360.029  1452.02    376.367  51.825  6.5609  51.206  6.9670  0.6191826      9.569947  
1 1 1 -10 53  9  o 204.892 3.9456  22768.14   875.616  22664.18   1237.80  22872.26   1238.81  204.273 5.5946  205.211 5.5736  -0.9378510     7.897144  
1 1 1 -10 53  10 o 76.781  2.9296  3195.45    243.629  3266.59    339.726  3120.13    349.573  77.493  4.0617  75.711  4.2805  1.781189       5.900849  
1 1 1 -10 53  11 o 158.036 3.3914  13543.43   580.507  13845.90   818.668  13237.55   823.272  159.690 4.7333  156.130 4.8684  3.559311       6.790064  
1 1 1 -10 53  12 o 173.223 3.5921  16277.84   673.940  16933.61   951.328  15617.17   954.872  176.539 4.9753  169.512 5.2008  7.026779       7.197378  
1 1 1 -10 53  13 o 134.323 3.2305  9786.97    469.998  9715.81    649.972  9864.96    680.428  133.733 4.4873  134.738 4.6625  -1.005768      6.471094  
1 1 1 -10 53  14 o 179.843 3.6652  17560.13   713.929  16278.32   1006.43  18858.46   1012.90  172.902 5.3742  186.165 5.0234  -13.26279      7.356373  
1 1 1 -10 53  15 o 128.423 3.1360  8951.59    436.204  8661.24    614.913  9245.69    618.876  126.174 4.4996  130.377 4.3826  -4.202927      6.281198  
1 1 1 -10 53  16 f 119.307 3.0778  7728.86    397.724  7304.67    561.869  8154.86    563.066  115.817 4.4791  122.406 4.2471  -6.588783      6.172519  
1 1 1 -10 53  17 f 107.809 3.0228  6313.59    352.968  5629.35    499.941  6993.64    498.406  101.605 4.5429  113.328 4.0605  -11.72301      6.093061  
1 1 1 -10 53  18 f 41.277  4.5128  940.797    198.464  986.226    310.105  909.282    258.288  41.715  7.1191  40.247  6.1178  1.467739       9.386622  
1 1 1 -10 53  19 o 31.887  5.8016  575.588    192.990  598.617    295.142  558.387    255.079  32.155  8.3869  31.105  7.6293  1.050400       11.33785  
1 1 1 -10 53  20 o 94.445  3.1908  4856.52    326.402  5008.15    493.931  4738.97    434.890  95.592  4.7706  93.089  4.3133  2.503456       6.431430  
1 1 1 -10 53  21 o 142.646 3.3778  11095.04   521.870  12175.34   765.633  10157.57   713.224  148.936 4.7463  135.999 4.8419  12.93697       6.780222  
1 1 1 -10 53  22 o 85.864  3.6316  4029.91    337.736  5087.43    628.109  3599.79    400.572  95.493  6.1048  80.803  4.5960  14.68925       7.641467  
1 1 1 -10 53  23 o 47.105  4.4203  1231.31    222.886  1747.83    488.397  1095.43    250.492  54.654  8.5291  44.156  5.3466  10.49770       10.06634  
1 1 1 -10 53  24 o 70.233  3.6927  2713.93    279.915  2968.22    575.264  2635.05    320.404  71.762  7.5126  69.007  4.3084  2.755325       8.660285  
1 1 1 -10 53  25 o 46.454  4.9323  1212.48    244.373  1003.51    512.176  1274.07    278.065  39.618  11.352  47.423  5.5167  -7.805519      12.62183  
1 1 1 -10 53  26 o 23.788  2.3605  311.837    60.014   558.291    481.135  307.942    60.486   30.586  11.165  23.631  2.3963  6.954811       11.41913  
1 1 1 -10 53  27 o 25.414  9.4462  374.101    347.012  481.120    490.352  266.735    491.146  28.424  11.067  25.377  10.631  3.047251       15.34593  
1 1 1 -10 53  28 o 56.415  6.7668  1921.50    405.223  2011.47    571.268  1830.37    574.893  54.629  10.024  51.357  10.683  3.271519       14.64980  
1 1 1 -10 53  29 o 42.921  6.7019  1131.90    301.372  808.257    545.273  1274.25    361.625  32.347  11.874  44.743  7.7423  -12.39695      14.17506  
1 1 1 -10 53  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 53  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 54  1  o 326.315 5.6681  57805.98   2003.31  57521.62   2833.61  58090.14   2832.62  325.111 8.0471  326.722 8.0046  -1.611084      11.35029  
1 1 1 -10 54  2  o 209.247 3.8192  23737.75   865.578  23384.42   1223.62  24091.65   1224.60  207.565 5.4428  210.687 5.3665  -3.122025      7.643503  
1 1 1 -10 54  3  o 164.048 3.3791  14587.04   600.403  14380.89   848.128  14794.14   850.072  162.811 4.8096  165.138 4.7527  -2.326187      6.761657  
1 1 1 -10 54  4  o 191.591 3.9700  19903.52   823.825  18988.08   1236.81  20633.61   1104.52  186.975 6.1073  194.984 5.2300  -8.009598      8.040635  
1 1 1 -10 54  5  o 177.017 3.5688  16987.10   684.240  16669.51   966.253  17306.54   969.077  175.260 5.0902  178.584 5.0101  -3.323257      7.142235  
1 1 1 -10 54  6  o 109.304 2.8838  6474.63    341.401  6419.34    480.543  6530.98    485.116  108.798 4.0780  109.740 4.0814  -0.9417877     5.769562  
1 1 1 -10 54  7  o 340.799 5.8526  63086.37   2160.30  62440.34   3054.88  63732.61   3055.37  338.530 8.3316  342.036 8.2475  -3.505890      11.72331  
1 1 1 -10 54  8  o 162.696 4.8448  14366.00   853.736  13558.04   1203.19  15185.29   1211.59  157.866 7.0368  167.107 6.6940  -9.241379      9.712203  
1 1 1 -10 54  9  o 154.149 3.3393  12882.77   557.533  12823.70   788.316  12941.89   788.625  153.707 4.7352  154.415 4.7153  -0.7082062     6.682514  
1 1 1 -10 54  10 o 147.428 3.2691  11784.51   522.007  11679.67   735.535  11890.91   740.954  146.683 4.6297  148.004 4.6222  -1.321045      6.542064  
1 1 1 -10 54  11 o 79.921  2.9697  3462.92    257.067  3836.28    359.715  3073.21    367.505  84.084  3.9498  75.099  4.5395  8.985283       6.017293  
1 1 1 -10 54  12 o 142.124 3.2613  10955.78   502.034  11617.38   704.532  10273.29   715.563  146.257 4.4475  137.503 4.8047  8.753342       6.547138  
1 1 1 -10 54  13 o 126.945 3.1546  8741.95    433.735  8475.97    611.769  9010.77    615.032  124.886 4.5228  128.777 4.4095  -3.890739      6.316561  
1 1 1 -10 54  14 o 110.382 3.0144  6610.60    360.383  6362.31    505.771  6866.68    513.637  108.184 4.3164  112.399 4.2191  -4.215797      6.035923  
1 1 1 -10 54  15 o 174.881 3.6125  16616.08   684.260  16150.15   966.033  17085.23   969.354  172.118 5.1820  177.059 5.0547  -4.941071      7.238961  
1 1 1 -10 54  16 o 105.557 3.0043  6050.45    343.480  5630.28    485.015  6473.20    486.498  101.668 4.4046  109.052 4.1188  -7.384773      6.030337  
1 1 1 -10 54  17 o 151.986 3.3705  12559.71   554.840  12159.48   784.866  12959.52   784.460  149.225 4.8561  154.096 4.7001  -4.871063      6.758143  
1 1 1 -10 54  18 o 170.137 3.5585  15756.23   655.749  16162.21   936.021  15364.94   918.952  171.881 5.0279  167.576 5.0630  4.304825       7.135424  
1 1 1 -10 54  19 o 55.020  3.8028  1658.20    225.230  1938.95    329.656  1412.40    308.446  59.246  5.1896  50.368  5.7574  8.877754       7.751151  
1 1 1 -10 54  20 o 23.326  1.3713  295.984    34.492   516.431    279.230  292.568    34.758   29.868  8.3217  23.189  1.3903  6.679075       8.437009  
1 1 1 -10 54  21 o 99.270  3.1633  5369.94    340.120  5195.58    502.740  5517.09    461.862  97.262  4.7723  100.371 4.2485  -3.109787      6.389415  
1 1 1 -10 54  22 f 87.874  3.7916  4225.95    360.874  4239.13    636.726  4219.71    438.019  86.758  6.8313  87.465  4.6403  -0.7069931     8.258245  
1 1 1 -10 54  23 o 57.005  3.8976  1790.68    239.206  2170.45    514.259  1685.82    270.219  61.253  7.9382  55.125  4.5669  6.128017       9.158128  
1 1 1 -10 54  24 o 107.331 3.0163  6294.98    350.642  7325.26    751.768  6008.52    396.402  114.066 6.1071  104.700 3.4956  9.366356       7.036736  
1 1 1 -10 54  25 o 58.529  4.1470  1901.29    261.187  1667.38    538.549  1973.23    298.663  51.952  9.9329  59.438  4.6770  -7.485767      10.97895  
1 1 1 -10 54  26 o 15.291  6.7754  -44.9106   222.645  -315.5952  468.578  34.022     253.034  19.282  9.0177  17.574  7.5070  1.708323       11.73344  
1 1 1 -10 54  27 o 57.195  2.8897  1806.39    178.431  1789.77    561.089  1808.26    188.200  51.525  10.412  57.161  3.0508  -5.636383      10.85010  
1 1 1 -10 54  28 o 25.921  7.7412  426.454    233.969  814.933    508.567  322.158    263.511  33.293  11.548  23.223  8.2910  10.07015       14.21627  
1 1 1 -10 54  29 f 50.358  5.8487  1514.62    313.062  1369.22    567.409  1578.26    375.366  41.760  11.943  50.385  7.0732  -8.624813      13.88073  
1 1 1 -10 54  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 54  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 55  1  o 72.919  2.5782  2881.01    203.624  3152.17    293.611  2629.75    282.639  76.255  3.5550  69.544  3.7664  6.710999       5.179142  
1 1 1 -10 55  2  o 140.566 3.2103  10709.21   488.754  10716.19   690.370  10702.20   692.039  140.554 4.5349  140.462 4.5489  0.9249878E-01  6.423197  
1 1 1 -10 55  3  o 342.735 6.4619  63830.11   2398.77  63003.52   3152.62  64966.63   3696.73  340.076 8.5591  344.991 9.8933  -4.915253      13.08182  
1 1 1 -10 55  4  o 270.835 4.7702  39798.77   1399.30  36676.30   1976.24  42938.15   1981.58  259.707 7.0256  281.086 6.5088  -21.37842      9.577277  
1 1 1 -10 55  5  f 324.182 5.7166  57071.64   2007.22  58274.15   2838.52  55868.91   2838.76  327.144 8.0109  320.284 8.1832  6.860199       11.45162  
1 1 1 -10 55  6  o 210.842 4.0174  24108.21   917.418  23569.62   1296.23  24648.79   1298.62  208.321 5.7449  213.049 5.6277  -4.728073      8.042077  
1 1 1 -10 55  7  o 244.600 4.4564  32459.47   1180.63  33343.73   1670.31  31576.56   1669.03  247.696 6.2260  241.020 6.3935  6.676346       8.924128  
1 1 1 -10 55  8  o 191.049 4.3235  19803.05   894.637  20492.83   1093.32  18405.29   1556.35  194.268 5.1961  183.797 7.8180  10.47023       9.387300  
1 1 1 -10 55  9  o 222.767 4.1992  26925.35   1013.17  26875.72   1432.44  26975.04   1433.23  222.350 5.9480  222.762 5.9403  -0.4115448     8.406263  
1 1 1 -10 55  10 o 71.915  2.9655  2803.68    230.985  2771.41    328.469  2835.24    324.886  71.333  4.2711  72.161  4.1746  -0.8287125     5.972402  
1 1 1 -10 55  11 o 350.874 6.0763  67004.77   2309.21  68344.94   3265.57  65664.38   3265.84  353.515 8.5287  346.443 8.7035  7.071838       12.18561  
1 1 1 -10 55  12 o 188.510 3.9601  19291.91   808.561  19481.57   1081.12  19051.17   1218.04  189.254 5.2742  187.030 6.0128  2.224182       7.998241  
1 1 1 -10 55  13 o 40.610  3.9139  903.925    170.023  906.263    232.420  901.234    249.373  40.438  5.4450  40.246  5.8956  0.1918411      8.025314  
1 1 1 -10 55  14 o 142.584 3.3372  11037.10   515.376  10511.04   706.748  11634.53   753.169  138.977 4.6952  146.206 4.7562  -7.229599      6.683241  
1 1 1 -10 55  15 o 116.468 3.1248  7365.31    394.186  7509.81    554.877  7218.08    560.086  117.460 4.3615  115.138 4.4912  2.321609       6.260499  
1 1 1 -10 55  16 o 156.235 3.4113  13268.10   577.259  13623.15   816.256  12912.85   816.479  158.032 4.7688  153.826 4.9006  4.206131       6.837934  
1 1 1 -10 55  17 o 154.437 3.4192  12972.48   571.933  13051.72   820.548  12897.60   797.610  154.556 4.9017  153.671 4.7921  0.8852234      6.855006  
1 1 1 -10 55  18 o 111.451 3.1744  6755.25    383.188  6721.65    559.724  6784.89    525.693  110.904 4.6597  111.488 4.3534  -0.5845108     6.376936  
1 1 1 -10 55  19 o 64.956  3.5734  2306.22    250.435  2286.23    376.165  2322.13    335.629  64.283  5.4542  64.941  4.8058  -0.6582794     7.269403  
1 1 1 -10 55  20 o 62.292  3.6652  2124.37    246.196  2062.74    380.937  2168.57    322.630  60.871  5.8500  62.703  4.7868  -1.831596      7.558796  
1 1 1 -10 55  21 o 45.522  4.4098  1146.68    214.700  1187.17    342.216  1120.40    275.712  45.566  7.1711  44.636  5.8432  0.9298401      9.250275  
1 1 1 -10 55  22 o 14.748  6.5188  -54.0415   204.854  -111.9802  338.931  -20.6932   257.137  18.478  8.2625  17.180  7.4549  1.297287       11.12852  
1 1 1 -10 55  23 o 56.908  2.3035  1762.14    141.981  1879.95    167.891  1466.33    266.031  58.736  2.6391  51.287  4.8466  7.449787       5.518522  
1 1 1 -10 55  24 o 70.665  3.5579  2745.42    271.441  3025.15    577.071  2665.95    307.594  72.416  7.4644  69.459  4.1069  2.957031       8.519581  
1 1 1 -10 55  25 o 62.134  4.0663  2141.75    272.147  2135.77    551.020  2143.68    312.984  59.570  8.8057  61.916  4.7023  -2.345943      9.982539  
1 1 1 -10 55  26 o 46.637  7.8801  1323.13    383.863  734.070    521.086  2022.10    567.623  33.300  11.682  56.476  9.6246  -23.17598      15.13584  
1 1 1 -10 55  27 o 69.299  5.8423  2804.30    434.427  2957.75    605.538  2641.56    623.606  68.768  8.2976  63.939  9.2755  4.828285       12.44529  
1 1 1 -10 55  28 o 37.689  6.2084  855.769    244.606  600.169    523.608  927.121    276.649  29.610  11.462  38.873  6.8194  -9.263191      13.33738  
1 1 1 -10 55  29 o 20.276  8.1914  190.875    278.176  70.975     509.675  241.746    331.984  22.350  10.052  21.996  8.9267  0.3541164      13.44390  
1 1 1 -10 55  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 56  1  o 164.797 3.4515  14722.14   616.062  14768.81   872.375  14675.71   870.116  164.976 4.8822  164.455 4.8849  0.5209961      6.906379  
1 1 1 -10 56  2  o 192.580 3.7439  20108.15   780.924  19588.69   1103.95  20628.43   1104.83  189.959 5.3656  194.947 5.2325  -4.987671      7.494600  
1 1 1 -10 56  3  o 275.078 5.0549  41066.40   1506.06  39272.09   2129.18  42863.09   2130.59  268.685 7.3164  280.753 7.0066  -12.06778      10.13023  
1 1 1 -10 56  4  o 136.223 3.1303  10057.81   461.855  10133.10   636.653  9974.18    671.024  136.681 4.3006  135.591 4.5692  1.089783       6.274720  
1 1 1 -10 56  5  o 51.296  3.0964  1431.38    171.228  1426.02    240.407  1436.90    243.938  51.084  4.3876  51.275  4.4361  -0.1908607     6.239389  
1 1 1 -10 56  6  o 85.389  2.8213  3951.45    260.931  4085.27    366.836  3814.41    371.229  86.793  3.9022  83.861  4.0871  2.932343       5.650804  
1 1 1 -10 56  7  o 175.687 4.1493  16743.88   789.552  15962.32   1365.67  17136.28   967.664  171.227 7.3638  177.664 5.0287  -6.436569      8.917049  
1 1 1 -10 56  8  o 100.895 3.3458  5519.38    365.624  5513.25    444.854  5532.14    641.855  100.810 4.0742  100.714 5.9099  0.9608459E-01  7.178200  
1 1 1 -10 56  9  o 119.903 2.9984  7793.80    389.394  8147.41    549.066  7435.99    552.321  122.536 4.1371  117.051 4.3566  5.484474       6.007917  
1 1 1 -10 56  10 o 137.915 3.1798  10313.96   474.985  10281.04   671.867  10346.84   671.594  137.604 4.5080  138.045 4.4918  -0.4409027     6.363784  
1 1 1 -10 56  11 o 90.250  2.9236  4416.47    285.782  4498.06    403.585  4334.42    404.731  91.025  4.0936  89.349  4.1822  1.675896       5.852233  
1 1 1 -10 56  12 o 103.350 2.8453  5792.48    318.495  6126.57    460.408  5485.88    441.055  106.215 4.0021  100.505 4.0517  5.710518       5.694964  
1 1 1 -10 56  13 o 59.793  3.1304  1945.28    202.026  1982.38    281.991  1906.14    289.574  60.232  4.3518  59.029  4.5647  1.203190       6.306745  
1 1 1 -10 56  14 o 74.304  3.0848  2996.90    248.265  3082.51    349.508  2909.70    352.714  75.154  4.3118  72.987  4.4835  2.167305       6.220377  
1 1 1 -10 56  15 f 74.457  3.0399  3010.33    245.153  2832.71    341.499  3199.19    352.143  71.989  4.4009  76.541  4.2646  -4.551682      6.128223  
1 1 1 -10 56  16 o 149.271 3.3559  12112.64   542.568  11399.12   770.055  12816.08   764.589  144.493 4.9204  153.288 4.6052  -8.794708      6.739349  
1 1 1 -10 56  17 o 38.720  1.6942  812.805    71.052   491.586    287.634  833.680    73.324   29.395  8.5320  39.213  1.7264  -9.817774      8.704931  
1 1 1 -10 56  18 o 59.176  3.6039  1914.25    229.889  2174.94    334.638  1681.27    316.357  62.844  4.9566  55.118  5.3674  7.726040       7.305928  
1 1 1 -10 56  19 o 43.894  4.4225  1064.24    207.386  988.129    305.615  1129.20    282.341  41.661  7.0226  44.884  5.9548  -3.223083      9.207433  
1 1 1 -10 56  20 o 47.498  4.3328  1245.06    220.451  1389.06    328.612  1127.22    297.269  49.722  6.2393  44.697  6.3165  5.025478       8.878448  
1 1 1 -10 56  21 o 47.573  4.2476  1250.19    216.566  1349.16    337.888  1181.19    282.137  48.806  6.5578  45.838  5.8135  2.967983       8.763685  
1 1 1 -10 56  22 f 41.437  5.3148  965.098    233.034  1094.39    367.771  878.362    301.221  43.213  8.1566  38.854  7.4286  4.359451       11.03240  
1 1 1 -10 56  23 o 63.748  3.6644  2235.21    251.951  2924.35    532.275  2036.22    286.023  71.610  6.9502  60.632  4.3850  10.97799       8.217907  
1 1 1 -10 56  24 o 59.611  4.1556  1967.86    266.624  2099.97    531.659  1923.47    308.179  59.631  8.4698  58.682  4.8933  0.9482880      9.781719  
1 1 1 -10 56  25 o 36.123  9.1840  812.199    360.121  434.742    486.930  1267.93    535.038  28.795  11.080  44.123  11.182  -15.32806      15.74119  
1 1 1 -10 56  26 o 66.277  5.9674  2546.09    423.775  2296.16    580.655  2830.94    619.883  60.366  9.1693  67.586  8.6677  -7.220612      12.61765  
1 1 1 -10 56  27 o 40.162  5.4055  941.198    229.165  1099.88    389.241  857.014    283.508  41.088  8.9958  37.250  7.2880  3.838432       11.57753  
1 1 1 -10 56  28 o 33.878  2.0627  630.257    75.325   1176.64    513.201  618.227    76.150   39.827  11.347  33.542  2.1068  6.285507       11.54135  
1 1 1 -10 56  29 o 31.024  9.8012  689.590    368.533  410.808    521.201  968.336    521.168  26.205  10.962  34.849  11.700  -8.644131      16.03307  
1 1 1 -10 56  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 57  1  o 297.249 5.2250  47962.30   1682.21  50233.84   2380.41  45696.12   2377.60  303.881 7.2323  289.768 7.5756  14.11292       10.47364  
1 1 1 -10 57  2  o 235.666 4.3344  30125.85   1106.37  29792.17   1564.66  30459.52   1564.64  234.163 6.1692  236.780 6.1010  -2.616653      8.676466  
1 1 1 -10 57  3  f 194.779 3.8153  20572.10   804.901  19805.51   1137.40  21341.13   1139.20  190.985 5.4985  198.269 5.3049  -7.283905      7.640391  
1 1 1 -10 57  4  f 236.309 4.5923  30298.41   1175.38  29289.52   1785.98  31069.24   1561.11  232.036 7.1064  239.133 6.0273  -7.096832      9.318225  
1 1 1 -10 57  5  o 216.133 4.0888  25337.48   957.172  25298.27   1353.30  25376.72   1353.99  215.797 5.7900  216.132 5.7840  -0.3350220     8.184052  
1 1 1 -10 57  6  o 125.734 3.0016  8569.09    408.763  8286.28    578.165  8851.73    577.990  123.583 4.3194  127.738 4.1776  -4.154617      6.009141  
1 1 1 -10 57  7  o 283.040 5.8569  43540.38   1795.50  44945.22   3110.89  42838.63   2198.67  286.584 10.022  280.486 7.2374  6.097870       12.36218  
1 1 1 -10 57  8  o 47.082  3.9691  1211.10    200.514  1062.67    242.092  1535.41    357.837  43.928  5.1884  52.744  6.3946  -8.816090      8.234703  
1 1 1 -10 57  9  o 164.092 3.4118  14602.99   606.368  14553.77   856.169  14652.53   858.905  163.696 4.8289  164.250 4.8280  -0.5545654     6.828501  
1 1 1 -10 57  10 o 320.279 5.6071  55796.60   1945.10  56577.93   2750.36  55014.79   2751.20  321.823 7.8905  317.306 8.0052  4.517029       11.24026  
1 1 1 -10 57  11 o 247.899 4.5730  33393.04   1227.85  33607.45   1735.73  33178.27   1737.15  248.279 6.4546  246.676 6.5019  1.602554       9.161711  
1 1 1 -10 57  12 o 353.309 6.1563  68083.96   2355.85  67631.43   3330.43  68537.18   3332.93  350.857 8.7640  353.228 8.7117  -2.371643      12.35718  
1 1 1 -10 57  13 o 115.526 3.0104  7242.18    376.677  7166.26    535.143  7316.72    530.294  114.799 4.3039  116.007 4.2205  -1.207970      6.027925  
1 1 1 -10 57  14 o 194.350 3.8656  20535.67   813.713  20747.87   1148.45  20321.75   1153.09  194.978 5.4382  192.943 5.5178  2.034515       7.747252  
1 1 1 -10 57  15 o 246.606 4.8783  33177.52   1303.00  31921.50   1726.42  34840.00   1986.22  241.156 6.6097  251.575 7.2894  -10.41948      9.839838  
1 1 1 -10 57  16 o 51.576  2.2840  1443.24    127.590  1575.79    274.545  1406.73    144.095  53.516  4.7871  50.837  2.6260  2.678947       5.460056  
1 1 1 -10 57  17 o 92.507  3.1717  4653.01    317.789  4523.30    478.509  4755.36    425.065  90.831  4.8818  93.377  4.2029  -2.545471      6.441746  
1 1 1 -10 57  18 o 45.403  4.3693  1136.38    212.211  1543.08    319.143  814.045    284.123  52.694  5.6817  37.725  7.2164  14.96851       9.184703  
1 1 1 -10 57  19 o 46.622  2.3174  1180.47    117.019  1301.17    331.262  1163.26    125.084  48.067  6.5321  46.202  2.5090  1.864567       6.997421  
1 1 1 -10 57  20 o 123.503 3.2995  8314.92    441.361  8346.24    646.767  8287.62    603.802  123.269 4.8442  122.942 4.5344  0.3267517      6.635315  
1 1 1 -10 57  21 o 80.878  3.3592  3570.81    294.266  3735.14    450.723  3448.74    388.488  82.148  5.0908  79.096  4.5540  3.051826       6.830488  
1 1 1 -10 57  22 o 47.206  4.7959  1241.44    241.807  1505.72    380.444  1062.31    313.212  51.282  7.0348  42.958  6.9705  8.323502       9.903385  
1 1 1 -10 57  23 o 61.743  4.0003  2104.12    266.076  2228.44    523.822  2060.90    308.892  61.881  8.0030  60.878  4.7216  1.002850       9.292022  
1 1 1 -10 57  24 o 58.442  4.1891  1894.32    263.409  2081.93    521.972  1830.22    305.109  59.331  8.3539  57.164  4.9776  2.167152       9.724373  
1 1 1 -10 57  25 o 42.281  8.2963  1089.32    366.358  733.807    492.721  1528.87    547.872  33.802  11.376  48.673  10.685  -14.87094      15.60732  
1 1 1 -10 57  26 o 60.123  4.0336  2026.46    261.140  2000.13    559.771  2033.79    295.235  55.626  9.6403  59.939  4.5824  -4.312672      10.67394  
1 1 1 -10 57  27 o 37.247  6.3257  833.240    246.064  656.291    507.375  887.658    281.368  30.889  11.434  38.012  7.0951  -7.123232      13.45633  
1 1 1 -10 57  28 o 14.107  2.6182  112.959    38.531   109.200    38.956   282.211    261.421  13.848  2.6942  22.141  8.2049  -8.292370      8.635958  
1 1 1 -10 57  29 o 35.786  2.2133  705.894    85.365   699.567    86.521   937.924    523.963  35.613  2.2547  34.136  11.728  1.476467       11.94326  
1 1 1 -10 57  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 58  1  o 184.535 3.8795  18466.86   775.406  18557.83   1162.83  18394.03   1040.51  184.831 5.8086  184.068 5.2191  0.7630310      7.808922  
1 1 1 -10 58  2  o 118.885 2.9390  7660.24    378.437  7762.14    542.317  7563.53    528.338  119.625 4.1856  118.087 4.1309  1.537865       5.880780  
1 1 1 -10 58  3  o 204.112 4.1110  22597.86   908.836  21857.06   1368.59  23182.25   1215.56  200.525 6.3014  206.613 5.4318  -6.087982      8.319376  
1 1 1 -10 58  4  o 69.674  2.4433  2630.43    184.384  2478.22    231.331  2895.57    305.321  67.615  3.1588  72.966  3.8773  -5.351410      5.001132  
1 1 1 -10 58  5  o 291.199 5.5954  46066.45   1764.78  43172.72   2325.84  49993.23   2709.37  281.526 7.6277  302.797 8.2613  -21.27060      11.24411  
1 1 1 -10 58  6  o 191.143 3.7302  19814.87   772.262  19232.19   1092.94  20395.85   1091.35  188.165 5.3627  193.792 5.1995  -5.626434      7.469499  
1 1 1 -10 58  7  o 65.508  3.5329  2334.00    249.740  2330.37    424.949  2335.91    308.670  65.182  6.0898  65.460  4.3789  -0.2782211     7.500653  
1 1 1 -10 58  8  o 57.759  3.0835  1813.93    192.205  1672.87    271.122  1956.45    272.520  55.321  4.5656  59.892  4.2283  -4.570351      6.222785  
1 1 1 -10 58  9  f 231.734 4.3383  29155.99   1088.89  28858.62   1539.81  29453.45   1540.03  230.248 6.1745  232.621 6.1124  -2.372849      8.688220  
1 1 1 -10 58  10 o 184.128 3.6901  18398.77   735.909  18047.72   1040.44  18750.21   1041.03  182.165 5.2733  185.691 5.1761  -3.525909      7.389147  
1 1 1 -10 58  11 o 139.647 3.2931  10581.33   498.085  10351.06   685.769  10838.45   724.632  137.994 4.5883  141.188 4.7386  -3.193863      6.595934  
1 1 1 -10 58  12 o 73.229  2.9288  2909.16    232.299  2947.64    323.687  2868.29    333.578  73.539  4.0799  72.517  4.2658  1.021660       5.902739  
1 1 1 -10 58  13 o 98.502  2.9311  5265.40    312.716  5344.10    444.734  5188.44    439.802  99.133  4.1420  97.677  4.1571  1.455864       5.868412  
1 1 1 -10 58  14 o 111.258 2.9829  6720.52    359.445  6358.46    504.660  7093.32    512.086  108.071 4.3114  114.168 4.1412  -6.097618      5.978134  
1 1 1 -10 58  15 o 164.019 3.4759  14626.70   617.498  13368.24   872.154  15891.65   874.397  156.436 5.1474  170.677 4.7300  -14.24123      6.990611  
1 1 1 -10 58  16 f 28.901  5.8375  474.128    176.440  551.349    262.319  410.329    238.435  30.964  7.8198  26.915  7.7555  4.049889       11.01347  
1 1 1 -10 58  17 o 107.406 3.1382  6273.36    365.072  6428.83    539.393  6141.94    495.922  108.473 4.5911  106.079 4.3163  2.393532       6.301476  
1 1 1 -10 58  18 o 21.870  6.9012  262.322    182.752  274.919    268.508  251.450    249.445  23.599  8.3752  22.675  8.0697  0.9241352      11.63027  
1 1 1 -10 58  19 f 19.403  7.0914  172.493    194.186  -6.3058    308.969  289.234    249.657  19.166  8.2440  23.585  8.0963  -4.418993      11.55478  
1 1 1 -10 58  20 o 24.301  6.9954  337.678    194.075  558.007    290.584  160.255    260.759  30.893  8.4434  20.732  8.0711  10.16090       11.68054  
1 1 1 -10 58  21 o 104.617 3.2689  5974.24    370.397  6420.69    550.548  5605.07    500.642  107.999 4.7066  100.950 4.5788  7.048546       6.566379  
1 1 1 -10 58  22 o 102.526 3.4632  5751.10    384.574  6319.94    578.797  5301.46    514.588  106.890 4.9994  97.960  4.8500  8.930565       6.965390  
1 1 1 -10 58  23 o 78.072  3.5514  3341.07    300.306  3267.78    592.540  3366.40    348.360  75.440  7.3450  78.098  4.1330  -2.657990      8.427954  
1 1 1 -10 58  24 o 54.091  6.6670  1686.82    382.326  2256.43    516.282  995.128    568.925  61.977  7.8684  39.107  12.151  22.86938       14.47599  
1 1 1 -10 58  25 o 43.422  8.1168  1149.90    367.705  1000.09    493.253  1337.29    551.662  38.705  11.155  44.672  11.372  -5.966152      15.93005  
1 1 1 -10 58  26 o 93.347  3.4601  4831.38    349.836  5754.75    702.327  4526.67    403.449  98.721  6.6066  89.903  4.1433  8.817703       7.798296  
1 1 1 -10 58  27 o 70.071  2.9459  2710.55    223.577  3438.26    606.503  2596.10    240.515  74.769  7.5948  68.437  3.2447  6.331642       8.258853  
1 1 1 -10 58  28 o 24.329  8.5748  372.950    280.993  888.821    492.564  124.073    342.125  34.234  11.372  20.435  8.7290  13.79959       14.33606  
1 1 1 -10 58  29 f 25.660  10.798  386.279    510.453  0.0000     0.0000   386.279    510.453  ?       ?       25.660  10.798  0.000000       10.79813  
1 1 1 -10 58  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 59  1  o 145.571 3.1431  11487.15   495.573  11873.02   701.672  11103.09   700.024  147.928 4.3794  143.043 4.5183  4.885437       6.292397  
1 1 1 -10 59  2  o 63.570  2.2236  2189.58    153.105  2138.45    186.622  2294.84    267.765  62.816  2.7430  64.937  3.8239  -2.121326      4.706016  
1 1 1 -10 59  3  o 92.868  2.4723  4673.49    248.680  4689.10    353.057  4658.13    350.333  92.994  3.5052  92.687  3.4897  0.3070602      4.946195  
1 1 1 -10 59  4  o 112.957 2.8817  6915.77    352.565  6680.15    494.937  7158.51    502.351  110.967 4.1180  114.875 4.0375  -3.908325      5.767066  
1 1 1 -10 59  5  o 79.831  2.7320  3454.05    236.227  3540.22    324.440  3356.83    344.623  80.793  3.7076  78.557  4.0643  2.236778       5.501291  
1 1 1 -10 59  6  o 91.408  2.7993  4528.93    277.141  4263.82    392.674  4792.06    391.204  88.648  4.0897  93.989  3.8429  -5.341400      5.611907  
1 1 1 -10 59  7  o 147.806 5.0169  11867.38   803.151  11489.96   1057.64  12381.49   1234.39  145.259 6.7224  150.488 7.5978  -5.228180      10.14480  
1 1 1 -10 59  8  o 175.146 3.5781  16641.17   678.777  16541.16   959.595  16741.31   960.277  174.468 5.0781  175.524 5.0512  -1.055557      7.162494  
1 1 1 -10 59  9  o 92.641  2.8826  4653.53    289.244  4615.54    410.923  4690.84    407.209  92.203  4.1148  92.956  4.0445  -0.7530899     5.769723  
1 1 1 -10 59  10 o 187.476 3.7562  19079.71   762.716  18684.53   1080.76  19471.81   1076.54  185.290 5.3853  189.176 5.2540  -3.885742      7.523680  
1 1 1 -10 59  11 o 152.233 3.4114  12578.73   562.493  12093.56   767.261  13142.49   827.073  149.111 4.7508  155.420 4.9132  -6.308594      6.834438  
1 1 1 -10 59  12 o 192.852 3.7848  20206.21   790.566  20044.32   1116.15  20369.19   1119.92  191.765 5.3738  193.319 5.3486  -1.553604      7.581929  
1 1 1 -10 59  13 o 155.806 3.3727  13185.55   569.157  13189.55   805.345  13181.56   804.474  155.597 4.7787  155.550 4.7750  0.4643250E-01  6.755487  
1 1 1 -10 59  14 o 158.759 3.4310  13698.61   589.978  13593.39   836.312  13802.85   832.410  157.857 4.8914  159.083 4.8311  -1.225693      6.874982  
1 1 1 -10 59  15 o 34.917  4.4812  675.545    165.565  464.375    224.608  926.814    245.007  28.483  7.2593  40.757  5.7066  -12.27387      9.233778  
1 1 1 -10 59  16 o 33.612  5.0618  631.246    178.559  416.951    258.837  825.829    246.645  27.222  8.1451  38.311  6.1522  -11.08897      10.20744  
1 1 1 -10 59  17 f 38.034  4.6956  802.669    189.327  775.930    284.230  823.994    253.839  36.789  7.3897  38.181  6.3621  -1.391785      9.751095  
1 1 1 -10 59  18 o 31.784  6.3497  577.089    210.944  517.486    308.392  629.494    289.173  30.032  8.8684  32.911  8.1542  -2.879095      12.04739  
1 1 1 -10 59  19 f 25.805  6.7380  383.476    190.360  424.106    283.065  349.929    257.209  27.432  8.5786  25.251  8.2097  2.181110       11.87399  
1 1 1 -10 59  20 o 81.734  3.2794  3643.64    290.310  3840.33    426.401  3473.69    396.363  83.461  4.7365  79.396  4.6293  4.065163       6.623000  
1 1 1 -10 59  21 o 30.621  6.9145  545.916    223.899  935.354    388.108  351.655    274.111  39.562  9.2269  25.328  8.4852  14.23412       12.53529  
1 1 1 -10 59  22 o 53.946  4.8478  1621.05    280.228  1575.92    422.696  1656.43    374.305  52.107  7.7235  53.940  6.5406  -1.832661      10.12089  
1 1 1 -10 59  23 o 90.210  4.9522  4526.68    482.012  4417.41    660.194  4651.42    705.385  87.976  6.9859  90.086  7.2919  -2.109085      10.09828  
1 1 1 -10 59  24 o 19.856  8.5149  36.002     327.843  -186.9548  435.202  328.530    498.499  19.914  9.0879  27.466  11.011  -7.551823      14.27725  
1 1 1 -10 59  25 o 64.534  3.9806  2322.41    276.875  2561.62    557.520  2244.09    318.993  65.017  8.0921  63.075  4.7031  1.941971       9.359546  
1 1 1 -10 59  26 o 60.792  2.6436  2029.84    174.069  2058.36    208.260  1963.72    317.068  60.956  3.1653  58.535  5.0505  2.421219       5.960463  
1 1 1 -10 59  27 o 61.196  4.2695  2122.14    281.218  2111.27    568.390  2125.66    323.600  56.335  9.6633  60.784  4.9585  -4.449436      10.86117  
1 1 1 -10 59  28 o 23.685  8.6286  345.374    287.165  221.289    491.807  409.564    353.728  23.892  10.338  25.405  9.5185  -1.513277      14.05291  
1 1 1 -10 59  29 o 32.967  11.794  890.559    533.475  0.0000     0.0000   890.559    533.475  ?       ?       32.967  11.794  0.000000       11.79391  
1 1 1 -10 60  1  o 369.410 6.3064  74210.99   2523.24  78338.27   3569.72  70089.81   3567.08  378.833 8.6999  358.169 9.1951  20.66406       12.65852  
1 1 1 -10 60  2  o 142.718 3.1073  11041.77   480.326  11247.49   679.450  10836.25   679.117  143.970 4.3573  141.309 4.4372  2.661713       6.218866  
1 1 1 -10 60  3  o 163.528 3.4422  14500.36   609.669  13693.36   861.050  15311.69   863.358  158.800 5.0062  167.945 4.7463  -9.144608      6.898506  
1 1 1 -10 60  4  o 103.415 2.7847  5796.73    311.914  6066.13    431.060  5500.65    451.902  105.753 3.7633  100.687 4.1438  5.066521       5.597681  
1 1 1 -10 60  5  o 206.310 3.9238  23091.73   876.783  21635.86   1236.56  24563.69   1243.38  199.499 5.7228  212.614 5.3993  -13.11458      7.867838  
1 1 1 -10 60  6  o 115.119 2.9643  7184.63    369.607  6563.69    520.625  7815.59    524.806  109.962 4.3713  120.012 4.0374  -10.05003      5.950573  
1 1 1 -10 60  7  o 226.012 6.7948  27833.81   1663.32  28503.58   2060.19  26579.87   2818.94  228.364 8.3293  219.167 11.920  9.196838       14.54178  
1 1 1 -10 60  8  o 129.681 3.0917  9120.11    434.251  9193.03    614.128  9047.20    614.120  130.108 4.3580  129.069 4.3930  1.038956       6.187904  
1 1 1 -10 60  9  o 174.358 3.5737  16498.18   674.881  16425.92   954.227  16570.51   954.624  173.791 5.0694  174.557 5.0492  -0.7661285     7.154960  
1 1 1 -10 60  10 f 184.037 3.6927  18388.65   736.068  18268.68   1038.94  18509.55   1042.98  183.201 5.2359  184.408 5.2219  -1.206314      7.394800  
1 1 1 -10 60  11 o 118.442 3.0191  7611.88    387.303  7366.16    544.233  7864.02    551.292  116.398 4.3169  120.276 4.2319  -3.878410      6.045185  
1 1 1 -10 60  12 o 100.562 2.9355  5488.16    319.734  5526.20    447.158  5448.37    457.358  100.809 4.0954  100.084 4.2191  0.7250519      5.879896  
1 1 1 -10 60  13 o 83.899  2.6836  3819.80    243.860  3938.57    385.938  3740.87    314.625  85.068  4.1887  82.968  3.5012  2.100273       5.459270  
1 1 1 -10 60  14 o 19.693  6.2202  209.720    148.437  383.593    216.008  54.151     204.323  26.035  7.3425  16.948  6.9549  9.087328       10.11351  
1 1 1 -10 60  15 o 12.690  5.6326  -54.1297   154.505  -37.5959   226.315  -68.5626   211.448  15.992  6.9663  14.903  6.6032  1.088946       9.598559  
1 1 1 -10 60  16 o 109.711 3.0863  6543.76    366.735  6322.49    528.495  6749.27    509.321  107.599 4.5349  111.232 4.2276  -3.632957      6.199794  
1 1 1 -10 60  17 o 98.392  3.0767  5266.12    327.880  5191.76    476.672  5332.89    451.719  97.445  4.5164  98.820  4.2204  -1.375282      6.181390  
1 1 1 -10 60  18 o 72.865  2.6774  2886.10    211.302  3331.80    368.768  2668.23    257.825  77.924  4.3872  69.980  3.4016  7.943604       5.551370  
1 1 1 -10 60  19 o 48.916  4.2059  1318.94    220.664  1401.55    328.056  1250.68    298.208  49.943  6.1978  47.203  5.9660  2.739555       8.602672  
1 1 1 -10 60  20 o 38.816  5.0925  844.053    208.934  859.423    310.478  831.331    282.460  38.424  7.7281  37.951  7.1336  0.4732666      10.51723  
1 1 1 -10 60  21 o 29.296  7.7083  504.168    247.896  477.987    375.689  524.358    329.911  29.244  9.9330  29.968  9.2433  -0.7244301     13.56849  
1 1 1 -10 60  22 o 50.393  6.8237  1455.87    362.863  1243.05    483.711  1729.77    548.753  45.079  10.151  53.563  9.8208  -8.484089      14.12429  
1 1 1 -10 60  23 o 18.846  8.2419  -27.1777   319.573  -9.5972    420.658  -51.1726   491.442  21.690  9.4717  22.816  10.090  -1.125486      13.83914  
1 1 1 -10 60  24 o 69.103  2.8928  2614.67    216.514  3143.55    569.256  2525.22    234.108  73.391  7.2564  67.831  3.1865  5.560036       7.925188  
1 1 1 -10 60  25 o 47.569  4.9589  1290.78    251.738  1485.35    502.989  1225.75    290.775  47.673  10.058  45.817  6.0040  1.855988       11.71340  
1 1 1 -10 60  26 o 76.454  3.7105  3255.58    307.253  3368.58    613.857  3217.81    354.911  74.133  7.7601  75.503  4.3585  -1.369980      8.900310  
1 1 1 -10 60  27 o 5.1144  2.5166  -101.5927  48.984   582.205    479.910  -108.7916  49.241   29.325  11.067  5.0228  2.4814  24.30185       11.34133  
1 1 1 -10 60  28 o 23.705  8.6780  347.577    290.970  664.876    493.148  178.123    360.387  30.049  11.243  21.451  9.0524  8.597639       14.43414  
1 1 1 -10 60  29 o 35.432  12.003  1043.83    548.586  0.0000     0.0000   1043.83    548.586  ?       ?       35.432  12.003  0.000000       12.00316  
1 1 1 -10 61  1  o 153.286 3.3236  12740.59   551.795  12915.21   783.029  12568.33   777.709  154.237 4.6873  152.149 4.7193  2.087906       6.651493  
1 1 1 -10 61  2  o 156.730 3.4709  13321.16   589.200  13495.72   803.244  13117.84   866.901  157.662 4.7038  155.400 5.1505  2.262039       6.975187  
1 1 1 -10 61  3  o 227.715 4.1987  28139.70   1035.57  28240.12   1464.64  28039.32   1464.39  227.887 5.9339  227.072 5.9542  0.8148193      8.406171  
1 1 1 -10 61  4  o 173.045 3.7151  16243.61   696.306  16081.48   939.995  16440.75   1036.52  172.058 5.0441  173.919 5.5025  -1.860611      7.464579  
1 1 1 -10 61  5  o 234.421 4.2365  29828.04   1075.65  26665.71   1517.68  33019.91   1524.75  221.336 6.3308  246.415 5.7129  -25.07954      8.527394  
1 1 1 -10 61  6  o 141.548 3.8030  10871.72   583.036  9898.94    1102.96  11248.96   686.843  134.464 7.6044  143.935 4.4058  -9.470642      8.788509  
1 1 1 -10 61  7  o 60.689  2.5127  1996.47    165.165  2011.87    276.638  1987.94    205.889  60.724  4.2325  60.461  3.1550  0.2634811      5.279041  
1 1 1 -10 61  8  o 72.513  2.8932  2851.41    227.231  2763.81    321.653  2938.69    321.054  71.215  4.1885  73.455  4.0511  -2.240295      5.827082  
1 1 1 -10 61  9  o 157.156 3.3821  13403.05   575.684  13588.42   812.092  13215.79   816.204  158.082 4.7430  155.887 4.8341  2.194870       6.772369  
1 1 1 -10 61  10 o 60.789  2.4034  2003.55    158.241  1950.08    290.873  2026.03    188.591  59.713  4.5312  61.115  2.8491  -1.401222      5.352463  
1 1 1 -10 61  11 o 19.660  6.0533  210.809    141.559  158.292    204.132  259.462    196.478  19.438  7.2411  22.110  7.1747  -2.672033      10.19355  
1 1 1 -10 61  12 o 20.842  6.1624  241.128    148.822  304.890    222.798  189.759    199.980  23.809  7.6312  20.152  7.2197  3.657629       10.50523  
1 1 1 -10 61  13 o 12.234  5.2970  -17.5302   129.254  -150.9263  174.462  144.782    192.444  12.052  5.5910  18.730  7.0201  -6.677931      8.974474  
1 1 1 -10 61  14 o 106.578 2.9593  6169.88    341.604  6211.56    476.118  6125.65    490.400  106.788 4.1164  106.024 4.2705  0.7643204      5.931442  
1 1 1 -10 61  15 o 225.249 4.2795  27667.23   1044.06  28649.54   1480.17  26694.52   1472.92  228.464 5.9817  220.437 6.1691  8.026535       8.592941  
1 1 1 -10 61  16 o 63.829  3.5080  2224.61    241.591  2428.34    377.017  2082.67    314.690  66.362  5.2893  61.536  4.7585  4.825207       7.114764  
1 1 1 -10 61  17 o 99.602  3.1406  5398.49    338.807  5415.36    499.030  5384.06    461.462  99.477  4.6316  99.262  4.2922  0.2149658      6.314697  
1 1 1 -10 61  18 o 46.310  4.0325  1180.41    200.245  1189.81    292.518  1172.12    274.699  46.054  6.0073  45.794  5.6587  0.2601547      8.252774  
1 1 1 -10 61  19 o 121.609 3.2033  8060.73    421.921  8123.82    602.729  8000.10    590.822  121.679 4.5734  120.769 4.5168  0.9107742      6.427843  
1 1 1 -10 61  20 o 55.718  4.1583  1711.46    249.138  1757.35    350.636  1664.68    354.057  55.984  5.8699  54.393  6.1158  1.590984       8.476955  
1 1 1 -10 61  21 o 113.840 4.7262  7148.99    582.749  6821.53    805.250  7509.07    844.407  109.951 6.7951  115.382 6.7867  -5.430901      9.603809  
1 1 1 -10 61  22 o 78.064  5.1697  3395.79    434.630  3117.59    589.672  3726.70    643.121  73.654  7.4962  80.611  7.4502  -6.957352      10.56871  
1 1 1 -10 61  23 o 37.520  2.3952  770.302    96.829   1487.58    468.011  738.226    98.970   49.618  9.0417  36.710  2.5041  12.90843       9.382035  
1 1 1 -10 61  24 o 59.066  4.1597  1945.44    264.417  2571.94    528.183  1735.92    305.447  65.941  7.5304  55.351  5.1542  10.58997       9.125395  
1 1 1 -10 61  25 o 38.864  5.9043  887.080    240.715  801.047    481.800  915.699    277.883  34.106  11.243  39.013  6.8249  -4.907085      13.15261  
1 1 1 -10 61  26 o 39.326  6.0004  916.423    247.483  467.351    498.967  1062.94    285.011  28.024  11.088  42.138  6.4501  -14.11378      12.82728  
1 1 1 -10 61  27 o 34.948  6.7254  750.910    245.332  661.713    496.049  779.793    282.271  30.535  11.305  35.043  7.6514  -4.508572      13.65084  
1 1 1 -10 61  28 o 22.359  9.2138  240.584    360.466  206.270    486.414  282.386    536.862  23.495  10.224  24.911  10.790  -1.415615      14.86491  
1 1 1 -10 61  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 62  1  o 20.873  5.0433  246.184    112.742  142.512    167.720  331.643    152.278  18.038  6.5908  24.214  5.8678  -6.176048      8.824363  
1 1 1 -10 62  2  o 178.993 3.5933  17378.70   696.619  17723.91   986.667  17035.59   983.674  180.620 5.0435  177.069 5.1291  3.551605       7.193366  
1 1 1 -10 62  3  o 348.278 6.0857  66000.95   2295.67  67348.43   3246.91  64654.05   3246.21  351.011 8.5404  343.852 8.7164  7.159393       12.20302  
1 1 1 -10 62  4  o 175.591 3.5536  16725.28   675.846  16819.70   955.400  16630.71   956.181  175.940 5.0136  174.945 5.0462  0.9950562      7.113413  
1 1 1 -10 62  5  o 88.044  2.8287  4202.70    269.751  3792.30    378.105  4628.12    384.960  83.580  4.1768  92.349  3.8487  -8.769180      5.679581  
1 1 1 -10 62  6  o 170.962 4.5946  15878.54   850.780  14728.61   1608.74  16325.03   1002.43  163.655 9.1119  173.253 5.3420  -9.597534      10.56241  
1 1 1 -10 62  7  o 51.324  3.7627  1437.47    207.706  1326.27    249.715  1687.15    374.168  49.171  4.7479  55.275  6.3661  -6.104130      7.941685  
1 1 1 -10 62  8  o 390.665 6.7356  83322.30   2850.02  84573.07   4029.97  82070.82   4031.11  392.034 9.4909  386.094 9.6397  5.939819       13.52777  
1 1 1 -10 62  9  o 61.098  3.0131  2025.24    199.393  2006.46    284.035  2043.48    279.977  60.601  4.3565  61.172  4.2521  -0.5718880     6.087623  
1 1 1 -10 62  10 o 172.153 3.7180  16099.48   693.250  15638.68   936.004  16659.42   1031.79  169.441 5.1002  174.811 5.4494  -5.370560      7.463816  
1 1 1 -10 62  11 o 184.829 3.7044  18564.62   741.570  18732.04   1047.81  18396.61   1049.67  185.344 5.2196  183.663 5.2766  1.680786       7.422056  
1 1 1 -10 62  12 o 56.336  3.1701  1729.13    192.644  1567.96    275.721  1882.86    269.272  53.416  4.8175  58.657  4.2676  -5.240730      6.435931  
1 1 1 -10 62  13 o 54.912  3.1499  1643.55    186.559  1488.80    258.388  1812.07    269.641  52.051  4.6317  57.506  4.3616  -5.455803      6.362080  
1 1 1 -10 62  14 o 58.373  2.3031  1848.81    145.613  1640.40    306.862  1909.38    165.424  54.522  5.2618  59.308  2.5752  -4.786076      5.858174  
1 1 1 -10 62  15 o 142.805 3.2860  11091.69   508.254  10869.62   726.680  11304.36   711.133  141.036 4.7571  143.880 4.5633  -2.844284      6.591958  
1 1 1 -10 62  16 o 154.620 3.4186  13016.29   572.504  13026.62   818.106  13006.38   801.437  154.250 4.8968  154.163 4.7998  0.8699036E-01  6.856867  
1 1 1 -10 62  17 o 24.763  1.9543  334.783    51.990   792.095    272.470  317.504    52.963   37.213  7.0175  24.101  2.0483  13.11166       7.310291  
1 1 1 -10 62  18 o 83.049  3.2371  3757.61    291.182  3977.27    434.461  3578.48    392.341  85.026  4.7365  80.698  4.5068  4.327721       6.538028  
1 1 1 -10 62  19 o 44.278  4.6826  1088.51    221.162  926.359    319.719  1237.30    306.256  39.990  7.6604  46.838  6.1884  -6.847874      9.847767  
1 1 1 -10 62  20 o 86.763  3.5933  4116.34    337.678  3719.38    549.086  4357.79    428.230  81.456  6.2719  89.046  4.4401  -7.589912      7.684519  
1 1 1 -10 62  21 o 84.818  5.1684  3999.81    472.539  3584.25    609.795  4624.45    747.611  79.323  7.1753  89.811  7.7618  -10.48785      10.57029  
1 1 1 -10 62  22 o 82.624  4.5202  3780.11    402.978  3643.09    508.166  4012.29    661.469  80.505  5.8683  83.642  7.3771  -3.136612      9.426512  
1 1 1 -10 62  23 o 33.613  7.7329  677.939    275.669  803.776    459.159  607.016    344.709  35.653  10.889  31.485  9.3949  4.167950       14.38197  
1 1 1 -10 62  24 o 24.936  7.1550  374.065    203.329  272.684    327.819  437.451    259.213  23.600  9.0880  26.787  8.1819  -3.187160      12.22841  
1 1 1 -10 62  25 o 22.387  7.7492  290.256    228.940  -153.9204  464.423  432.843    263.134  20.257  9.2979  26.346  8.2763  -6.088600      12.44787  
1 1 1 -10 62  26 o 26.071  1.7519  372.184    49.184   477.289    476.663  371.053    49.448   27.928  10.901  26.029  1.7644  1.899155       11.04319  
1 1 1 -10 62  27 o 21.160  8.3777  220.990    285.051  275.005    478.783  191.330    354.782  24.590  10.409  21.749  9.0667  2.841663       13.80376  
1 1 1 -10 62  28 o 16.171  7.6343  -247.2888  350.035  -307.9825  470.303  -171.9147  524.104  18.372  8.7254  20.391  9.5365  -2.018732      12.92584  
1 1 1 -10 62  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 63  1  f 200.321 4.0412  21780.29   876.805  22878.65   1320.76  20914.77   1172.43  205.043 5.9471  196.111 5.5197  8.932251       8.113896  
1 1 1 -10 63  2  o 170.888 3.4654  15841.07   641.406  16616.51   909.269  15073.04   904.917  174.888 4.8002  166.543 5.0166  8.344757       6.943251  
1 1 1 -10 63  3  o 219.231 4.1425  26091.31   983.627  25711.16   1390.81  26471.73   1391.31  217.356 5.9078  220.563 5.8240  -3.206696      8.295844  
1 1 1 -10 63  4  f 55.595  2.9085  1680.49    174.527  1649.97    244.403  1712.25    249.308  54.974  4.1350  56.007  4.1392  -1.033051      5.850704  
1 1 1 -10 63  5  o 150.302 3.2738  12254.45   532.959  12026.46   753.593  12482.59   753.842  148.769 4.6769  151.573 4.5919  -2.804199      6.554262  
1 1 1 -10 63  6  o 46.909  2.3912  1195.90    121.088  1145.00    131.654  1475.34    308.481  45.877  2.6609  51.763  5.5910  -5.886066      6.191901  
1 1 1 -10 63  7  o 66.007  2.9120  2363.08    208.185  2620.63    294.347  2105.29    294.490  69.357  3.9345  62.087  4.4079  7.269730       5.908490  
1 1 1 -10 63  8  o 109.396 2.9535  6492.08    349.949  6212.63    491.518  6779.35    498.359  106.919 4.2444  111.700 4.1192  -4.781563      5.914650  
1 1 1 -10 63  9  o 78.377  2.8617  3332.69    242.930  3167.86    345.647  3493.59    341.501  76.221  4.2031  80.183  3.9322  -3.962227      5.755744  
1 1 1 -10 63  10 o 114.905 2.9251  7165.16    364.045  7126.53    518.273  7202.78    511.468  114.470 4.1802  115.090 4.1031  -0.6196976     5.857426  
1 1 1 -10 63  11 o 156.529 3.3832  13310.65   573.580  13372.17   812.877  13249.64   809.464  156.642 4.7912  155.922 4.7931  0.7197113      6.777178  
1 1 1 -10 63  12 f 134.255 3.1227  9790.40    454.077  9393.16    640.576  10191.59   643.760  131.291 4.5047  136.787 4.3452  -5.495621      6.258821  
1 1 1 -10 63  13 f 114.743 3.0012  7151.95    372.980  7097.77    524.916  7207.20    530.068  114.132 4.2463  115.007 4.2554  -0.8749313     6.011615  
1 1 1 -10 63  14 o 133.270 3.1965  9655.16    461.397  10023.02   646.580  9273.48    658.615  135.553 4.4039  130.329 4.6657  5.224380       6.415913  
1 1 1 -10 63  15 o 125.829 3.1864  8611.11    434.261  8763.98    622.884  8466.53    605.750  126.663 4.5403  124.506 4.4919  2.156639       6.386863  
1 1 1 -10 63  16 o 140.981 3.3585  10821.50   512.831  11369.64   717.240  10248.17   733.540  144.172 4.5932  136.766 4.9519  7.405350       6.754178  
1 1 1 -10 63  17 o 41.731  4.3501  962.507    193.726  1105.27    286.634  842.452    262.849  44.344  6.1320  38.511  6.5353  5.833576       8.961631  
1 1 1 -10 63  18 o 88.921  3.1832  4308.18    306.579  4184.13    453.153  4412.88    416.320  87.163  4.8187  89.774  4.2816  -2.611755      6.446104  
1 1 1 -10 63  19 o 100.939 3.0257  5552.71    330.789  5695.30    509.926  5449.12    434.651  101.798 4.6249  99.751  4.0230  2.046753       6.129765  
1 1 1 -10 63  20 o 45.828  5.6375  1181.76    273.922  1187.61    367.724  1174.46    410.577  45.211  7.7907  44.561  8.8190  0.6494331      11.76730  
1 1 1 -10 63  21 f 65.006  5.5489  2366.42    386.944  2536.58    510.798  2137.29    592.744  66.595  7.1961  59.945  9.4418  6.650051       11.87143  
1 1 1 -10 63  22 o 22.207  7.4484  270.471    211.222  312.962    274.891  209.221    330.041  24.178  8.4844  22.959  9.0385  1.218697       12.39673  
1 1 1 -10 63  23 o 33.128  7.4364  658.041    260.277  460.555    393.610  811.492    346.963  28.376  10.133  36.257  8.9009  -7.881552      13.48701  
1 1 1 -10 63  24 o 12.595  5.9507  -214.5692  213.376  6.1012     437.200  -283.5658  244.468  21.586  9.5330  13.033  6.2180  8.552744       11.38168  
1 1 1 -10 63  25 o 33.952  6.6997  697.556    237.623  567.956    486.079  738.254    272.390  29.779  11.158  34.528  7.4984  -4.748985      13.44339  
1 1 1 -10 63  26 o 28.913  7.5344  527.772    238.333  941.418    484.350  395.617    273.770  36.104  11.210  25.166  8.4796  10.93814       14.05618  
1 1 1 -10 63  27 o 29.043  8.6914  563.154    294.706  779.962    498.205  446.455    365.514  32.285  11.414  26.276  9.7089  6.009048       14.98442  
1 1 1 -10 63  28 o 24.366  9.5350  363.126    365.368  58.771     496.345  723.111    539.804  21.930  9.8865  30.546  11.686  -8.616661      15.30739  
1 1 1 -10 64  1  o 292.152 5.2836  46420.29   1671.91  47519.97   2365.49  45322.57   2363.38  294.990 7.4036  288.032 7.5757  6.957397       10.59267  
1 1 1 -10 64  2  o 85.019  2.5036  3918.23    230.541  4200.14    349.428  3700.93    306.787  87.976  3.6671  82.593  3.4294  5.382835       5.020845  
1 1 1 -10 64  3  o 115.828 2.9524  7275.55    370.394  7427.21    524.621  7124.82    523.016  116.952 4.1416  114.540 4.2159  2.411125       5.909854  
1 1 1 -10 64  4  o 186.002 3.7605  18779.33   757.586  18608.04   1070.54  18951.16   1072.24  184.934 5.3446  186.638 5.3042  -1.703781      7.529909  
1 1 1 -10 64  5  o 30.882  1.9070  518.760    63.473   692.383    206.644  500.673    66.698   35.233  5.6026  30.326  2.0425  4.907047       5.963260  
1 1 1 -10 64  6  o 81.838  3.4478  3634.86    305.605  3839.08    377.656  3247.43    520.171  84.065  4.1478  76.907  6.2999  7.157074       7.542728  
1 1 1 -10 64  7  o 154.583 3.3309  12969.13   557.692  11894.33   785.793  14059.97   791.632  147.850 4.9070  160.801 4.5453  -12.95117      6.688687  
1 1 1 -10 64  8  o 315.758 5.5861  54359.61   1910.43  54056.00   2701.57  54663.30   2701.95  313.796 7.9487  315.578 7.9050  -1.781158      11.21032  
1 1 1 -10 64  9  o 243.114 4.4765  32161.73   1178.74  30582.29   1666.44  33743.24   1667.53  236.441 6.5072  248.477 6.1961  -12.03520      8.985320  
1 1 1 -10 64  10 o 153.565 3.4549  12811.86   574.645  12831.25   781.773  12789.07   847.548  153.473 4.7030  153.139 5.1098  0.3337555      6.944704  
1 1 1 -10 64  11 o 120.603 3.0192  7898.17    394.381  7638.57    552.641  8167.58    562.982  118.440 4.3080  122.482 4.2438  -4.042526      6.047174  
1 1 1 -10 64  12 o 143.859 3.2281  11245.70   502.978  11152.26   710.083  11339.80   712.560  143.013 4.5842  144.215 4.5618  -1.202286      6.467230  
1 1 1 -10 64  13 o 127.785 3.1423  8874.07    434.907  8732.36    630.186  9002.93    600.956  126.508 4.5992  128.510 4.3175  -2.001999      6.308221  
1 1 1 -10 64  14 o 173.323 3.5742  16350.94   670.968  16998.19   951.437  15710.56   946.367  176.301 4.9826  169.434 5.1569  6.867737       7.170758  
1 1 1 -10 64  15 o 137.196 3.3010  10243.39   490.516  10116.16   684.475  10377.72   703.297  136.017 4.6462  137.744 4.7141  -1.727737      6.618849  
1 1 1 -10 64  16 o 103.409 3.1902  5820.03    357.314  5847.14    531.458  5797.66    482.692  103.336 4.7484  102.994 4.3270  0.3421097      6.424192  
1 1 1 -10 64  17 o 29.329  5.9171  491.114    181.479  301.698    270.223  646.738    244.935  24.224  8.4170  33.523  6.9730  -9.299479      10.93018  
1 1 1 -10 64  18 o 45.847  4.4638  1163.04    218.848  1316.27    310.313  1011.42    308.690  48.396  6.0523  42.053  7.0251  6.342770       9.272693  
1 1 1 -10 64  19 o 76.610  4.3738  3232.20    361.418  3025.72    495.612  3466.71    528.186  73.464  6.2894  78.685  6.2491  -5.221428      8.866053  
1 1 1 -10 64  20 f 58.305  5.2777  1897.30    329.674  2039.22    482.319  1772.86    451.650  59.531  7.6578  55.418  7.7354  4.113255       10.88480  
1 1 1 -10 64  21 o 28.910  8.0569  494.032    261.707  662.536    380.351  342.530    360.654  33.160  9.8627  26.158  9.6484  7.001987       13.79727  
1 1 1 -10 64  22 o 90.418  3.6429  4491.08    356.758  4617.65    529.515  4385.85    482.783  90.766  5.4108  88.645  5.0493  2.121185       7.400793  
1 1 1 -10 64  23 o 26.048  8.1010  405.737    252.812  662.409    380.057  202.025    338.586  32.408  9.9086  22.642  9.0758  9.765356       13.43691  
1 1 1 -10 64  24 o 52.664  4.5040  1567.01    254.441  1790.43    508.944  1492.56    293.791  53.163  9.1699  50.930  5.4087  2.233116       10.64620  
1 1 1 -10 64  25 o 49.736  4.8003  1412.56    255.377  1374.16    522.126  1424.63    292.789  44.619  10.898  49.528  5.5536  -4.908848      12.23127  
1 1 1 -10 64  26 o 20.280  7.6731  213.633    231.098  228.589    477.062  209.047    264.161  24.263  10.334  20.728  8.1085  3.534918       13.13581  
1 1 1 -10 64  27 o 24.563  8.7338  381.818    292.131  101.193    490.754  535.830    363.562  22.572  10.028  28.011  9.7613  -5.438192      13.99427  
1 1 1 -10 64  28 o 20.557  8.8723  123.860    360.329  263.928    487.488  -44.8306   534.982  24.092  10.359  21.578  9.9320  2.513268       14.35087  
1 1 1 -10 65  1  o 156.422 3.3639  13275.99   569.916  13042.62   807.029  13508.16   804.941  154.887 4.8107  157.639 4.7145  -2.752151      6.735622  
1 1 1 -10 65  2  o 67.953  2.7271  2503.88    200.716  2607.10    287.826  2406.17    280.044  69.189  3.8561  66.456  3.9079  2.733421       5.490086  
1 1 1 -10 65  3  o 260.901 4.7599  37008.50   1345.06  37857.13   1902.61  36160.59   1901.80  263.377 6.6696  257.362 6.8226  6.015015       9.541070  
1 1 1 -10 65  4  o 53.497  1.8741  1550.87    108.588  1177.52    223.953  1665.62    124.159  46.327  4.5209  55.437  2.0678  -9.110420      4.971350  
1 1 1 -10 65  5  o 259.265 5.4518  36606.02   1530.92  34752.75   2651.92  37532.35   1874.88  251.085 9.7515  262.185 6.6023  -11.09998      11.77631  
1 1 1 -10 65  6  o 80.802  2.8840  3541.67    252.394  3401.43    290.907  3968.63    507.586  79.160  3.3929  85.166  5.5326  -6.006104      6.490154  
1 1 1 -10 65  7  o 94.628  2.8709  4858.07    294.245  5045.04    412.312  4664.02    420.047  96.355  3.9508  92.625  4.1869  3.729324       5.756657  
1 1 1 -10 65  8  o 130.907 3.1056  9301.71    440.330  9414.96    623.862  9189.28    621.586  131.553 4.3784  129.962 4.4159  1.591309       6.218538  
1 1 1 -10 65  9  o 84.933  2.8513  3914.84    262.297  3790.55    364.279  4048.65    377.989  83.485  4.0286  86.279  4.0449  -2.793991      5.708817  
1 1 1 -10 65  10 o 83.870  2.6179  3816.86    237.807  3841.81    364.221  3798.32    313.967  84.033  4.0017  83.604  3.4673  0.4291611      5.294855  
1 1 1 -10 65  11 o 193.635 3.8327  20399.27   803.820  19966.80   1137.16  20831.16   1136.39  191.108 5.4938  195.241 5.3739  -4.132401      7.685048  
1 1 1 -10 65  12 o 116.131 2.9828  7325.91    375.186  7627.93    529.987  7022.52    531.202  118.335 4.1351  113.512 4.3207  4.823433       5.980531  
1 1 1 -10 65  13 o 81.348  2.9893  3595.71    263.380  3308.82    386.449  3844.55    359.915  77.723  4.6113  84.010  3.9555  -6.287369      6.075319  
1 1 1 -10 65  14 o 182.997 3.7485  18242.32   742.972  18064.63   1053.10  18418.41   1048.36  181.550 5.3555  183.350 5.2791  -1.800064      7.520020  
1 1 1 -10 65  15 f 106.928 3.1086  6219.85    360.025  5831.57    518.918  6580.21    499.917  103.252 4.6401  109.778 4.2045  -6.525406      6.261660  
1 1 1 -10 65  16 o 126.256 3.1804  8677.68    434.916  8854.57    624.534  8511.12    606.011  127.196 4.5333  124.718 4.4862  2.477699       6.377828  
1 1 1 -10 65  17 o 134.707 3.3839  9892.60    493.711  9843.49    714.808  9937.41    682.722  133.874 4.9297  134.603 4.6829  -0.7289886     6.799405  
1 1 1 -10 65  18 o 145.497 4.6906  11632.32   739.182  11472.87   1037.31  11796.82   1053.60  143.438 6.6769  145.441 6.6883  -2.003815      9.450649  
1 1 1 -10 65  19 o 84.852  4.3100  3962.92    394.807  3878.01    544.651  4056.93    573.120  83.277  6.0804  85.106  6.2615  -1.828636      8.727990  
1 1 1 -10 65  20 f 76.117  3.6387  3172.76    299.980  3481.28    462.965  2949.49    393.841  79.019  5.4425  72.864  5.0210  6.154877       7.404862  
1 1 1 -10 65  21 o 24.602  8.2827  334.753    261.199  370.844    417.570  311.554    334.783  27.439  10.330  25.099  9.2883  2.340010       13.89165  
1 1 1 -10 65  22 o 41.707  6.0433  999.331    265.041  856.544    394.898  1116.37    357.530  37.107  9.7124  43.311  7.9132  -6.203827      12.52789  
1 1 1 -10 65  23 o 88.487  3.8123  4334.33    365.374  4697.53    560.788  4066.43    481.630  90.731  5.7360  84.731  5.2743  6.000648       7.792312  
1 1 1 -10 65  24 o 47.701  4.8501  1297.52    247.098  1170.97    480.235  1343.09    288.172  41.589  10.623  48.129  5.6347  -6.540504      12.02488  
1 1 1 -10 65  25 o 42.709  2.2122  1000.38    101.982  1223.23    473.762  989.552    104.430  42.332  10.406  42.460  2.2791  -0.1282959     10.65296  
1 1 1 -10 65  26 o 13.954  6.4259  -122.0805  224.342  -556.6066  454.028  18.277     258.044  16.625  8.0667  17.045  7.4315  -0.4202690     10.96808  
1 1 1 -10 65  27 o 24.299  9.4264  351.578    354.719  380.332    476.395  315.800    531.398  25.742  10.598  25.395  10.864  0.3463669      15.17750  
1 1 1 -10 65  28 o 31.601  11.882  791.968    552.197  0.0000     0.0000   791.968    552.197  ?       ?       31.601  11.882  0.000000       11.88237  
1 1 1 -10 66  1  o 112.660 2.9025  6884.26    354.168  7129.64    502.770  6642.57    498.989  114.565 4.0518  110.573 4.1665  3.992172       5.811771  
1 1 1 -10 66  2  o 91.930  2.7695  4583.34    275.756  4911.74    393.108  4265.20    386.921  95.106  3.8162  88.611  4.0315  6.494240       5.551247  
1 1 1 -10 66  3  o 133.638 3.1165  9689.59    451.094  9752.14    651.752  9632.08    624.977  133.934 4.4928  133.125 4.3345  0.8092804      6.242843  
1 1 1 -10 66  4  o 72.209  2.6958  2827.78    210.837  2643.12    299.034  3010.33    297.312  69.639  3.9811  74.456  3.6867  -4.817070      5.425975  
1 1 1 -10 66  5  o 68.791  3.2543  2568.40    242.467  1950.90    413.653  2891.62    299.271  59.406  6.5371  72.863  3.8054  -13.45694      7.563997  
1 1 1 -10 66  6  o 129.827 3.5033  9152.88    492.618  8556.14    599.834  10389.21   863.393  125.422 4.4156  137.993 5.7767  -12.57092      7.271009  
1 1 1 -10 66  7  o 101.174 2.8778  5554.34    315.354  5143.67    445.573  5966.50    446.384  97.250  4.2302  104.771 3.9337  -7.520218      5.776515  
1 1 1 -10 66  8  o 40.347  3.7861  892.596    163.519  956.308    225.969  822.559    236.922  41.572  5.1271  38.368  5.8893  3.203934       7.808421  
1 1 1 -10 66  9  o 154.097 3.3290  12899.82   555.615  12445.99   784.630  13356.27   786.891  151.109 4.7941  156.569 4.6402  -5.460312      6.671930  
1 1 1 -10 66  10 o 44.457  2.0406  1071.72    98.256   1208.87    230.776  1041.35    108.591  46.873  4.6051  43.755  2.2994  3.118107       5.147245  
1 1 1 -10 66  11 o 109.097 2.9519  6464.31    348.803  6491.44    496.080  6437.79    490.530  109.165 4.1956  108.717 4.1658  0.4476318      5.912453  
1 1 1 -10 66  12 o 98.620  2.9076  5283.02    310.580  5699.72    466.375  4950.96    416.326  102.266 4.2105  95.337  4.0318  6.928650       5.829569  
1 1 1 -10 66  13 o 127.218 3.1221  8798.71    430.201  9136.28    611.052  8466.94    605.776  129.399 4.3599  124.540 4.4909  4.858582       6.259133  
1 1 1 -10 66  14 o 46.131  3.9009  1168.38    193.082  1232.56    281.504  1111.36    265.333  47.054  5.6356  44.654  5.6099  2.400509       7.951846  
1 1 1 -10 66  15 o 38.290  4.4143  811.782    179.716  573.286    254.709  1048.22    253.610  31.492  7.5627  43.341  5.5284  -11.84916      9.367902  
1 1 1 -10 66  16 o 129.883 3.2142  9186.83    452.159  9511.83    648.160  8878.73    631.081  131.796 4.5406  127.324 4.5762  4.472664       6.446586  
1 1 1 -10 66  17 o 56.864  4.8983  1789.32    298.742  1855.80    424.586  1724.14    420.416  57.307  6.9850  55.133  7.2134  2.173820       10.04109  
1 1 1 -10 66  18 o 75.193  4.7222  3120.86    382.637  3368.36    519.173  2826.57    566.133  77.600  6.2295  70.522  7.5281  7.077805       9.771348  
1 1 1 -10 66  19 o 53.758  4.5677  1601.52    263.436  1469.93    333.339  1820.43    429.940  51.010  6.1580  56.445  7.1963  -5.435001      9.471383  
1 1 1 -10 66  20 o 11.566  2.9594  75.773     37.225   362.991    334.591  72.173     37.457   26.260  9.3460  11.303  3.0071  14.95712       9.817844  
1 1 1 -10 66  21 o 86.493  3.6986  4107.38    346.487  3966.69    511.940  4226.31    470.672  84.065  5.6555  87.109  5.0098  -3.044670      7.555247  
1 1 1 -10 66  22 o 66.008  4.3508  2426.04    309.312  2778.58    473.770  2164.14    408.351  69.620  6.3529  61.453  6.2207  8.166325       8.891430  
1 1 1 -10 66  23 o 23.752  8.1913  325.348    255.692  171.999    386.056  445.185    341.276  22.800  9.4774  27.194  9.4585  -4.393845      13.38976  
1 1 1 -10 66  24 o 56.501  4.2909  1798.08    260.622  2346.91    511.384  1605.51    302.913  62.062  7.7785  52.800  5.3716  9.261951       9.452971  
1 1 1 -10 66  25 o 42.139  5.4753  1036.24    243.990  782.983    481.520  1123.73    283.013  33.281  11.246  43.496  6.1813  -10.21492      12.83256  
1 1 1 -10 66  26 o 61.527  4.1572  2144.31    275.410  2365.45    542.004  2067.34    319.769  60.740  8.4691  59.844  4.9785  0.8955688      9.824033  
1 1 1 -10 66  27 o 28.698  9.6892  574.217    357.452  648.344    474.187  476.656    544.002  29.764  11.046  27.350  11.300  2.413853       15.80199  
1 1 1 -10 67  1  o 132.752 3.0932  9562.75    444.758  9701.93    643.445  9435.42    615.454  133.574 4.4475  131.743 4.3132  1.831390       6.195492  
1 1 1 -10 67  2  o 204.926 4.1322  22823.23   917.165  23776.40   1226.91  21615.91   1380.83  208.894 5.4227  198.938 6.4085  9.956848       8.394865  
1 1 1 -10 67  3  o 22.263  4.8536  280.214    113.736  363.884    161.208  197.287    160.490  25.323  5.9742  19.527  6.4916  5.796087       8.822280  
1 1 1 -10 67  4  o 160.582 3.3185  13998.79   577.175  14121.84   816.271  13875.74   816.227  161.094 4.6783  159.677 4.7195  1.416672       6.645311  
1 1 1 -10 67  5  o 91.150  3.9959  4515.97    394.501  4368.10    546.426  4676.96    570.146  89.302  5.6788  92.409  5.7246  -3.106972      8.063500  
1 1 1 -10 67  6  o 84.316  2.8329  3857.51    258.711  3915.29    362.187  3797.31    369.675  84.867  3.9402  83.567  4.0843  1.300140       5.675097  
1 1 1 -10 67  7  o 254.250 4.6666  35207.16   1285.08  34337.55   1817.08  36077.34   1817.68  250.337 6.7016  256.673 6.5383  -6.335388      9.362769  
1 1 1 -10 67  8  o 211.477 4.0562  24331.16   929.070  23793.28   1313.60  24869.55   1314.21  208.622 5.8134  213.331 5.6878  -4.709045      8.133049  
1 1 1 -10 67  9  o 55.158  3.1170  1657.64    185.449  2018.52    267.561  1323.99    257.270  60.763  4.0893  49.027  4.9109  11.73581       6.390541  
1 1 1 -10 67  10 o 61.644  2.4547  2061.93    163.892  2378.62    294.714  1920.15    197.197  65.962  4.1462  59.375  3.0769  6.586689       5.163209  
1 1 1 -10 67  11 o 95.324  2.9134  4935.41    300.793  4947.85    432.107  4923.71    418.968  95.295  4.1865  95.079  4.0684  0.2167282      5.837711  
1 1 1 -10 67  12 o 123.759 3.0832  8324.61    413.287  8788.22    589.007  7875.00    580.049  126.946 4.2838  120.135 4.4579  6.811081       6.182524  
1 1 1 -10 67  13 o 21.557  6.2770  260.945    155.459  397.203    217.163  117.722    222.644  26.387  7.3341  18.889  7.4277  7.498194       10.43836  
1 1 1 -10 67  14 o 65.990  3.2691  2369.91    233.652  2112.45    343.390  2591.87    318.842  61.867  5.1720  68.757  4.3031  -6.889320      6.728020  
1 1 1 -10 67  15 o 116.507 3.1538  7388.02    397.970  7088.09    572.498  7668.47    553.606  113.784 4.6454  118.438 4.3156  -4.654572      6.340659  
1 1 1 -10 67  16 o 20.466  7.1120  211.819    192.925  305.082    267.527  110.766    278.477  24.250  8.3778  20.251  8.1908  3.998417       11.71650  
1 1 1 -10 67  17 o 16.975  6.9331  65.500     201.847  -27.9571   263.834  197.409    313.445  17.348  7.5396  22.721  8.8479  -5.372110      11.62458  
1 1 1 -10 67  18 o 37.267  6.2164  791.916    242.078  933.528    320.168  602.907    369.888  40.086  7.6533  32.057  9.7697  8.028984       12.41049  
1 1 1 -10 67  19 o 45.823  4.5049  1166.40    220.692  1047.65    309.474  1289.28    314.806  42.673  6.9338  47.675  6.2468  -5.002052      9.332731  
1 1 1 -10 67  20 o 82.861  3.6448  3762.47    327.111  3594.11    468.218  3922.98    457.189  80.250  5.4186  84.018  5.0475  -3.768021      7.405270  
1 1 1 -10 67  21 o 39.406  6.4440  897.929    265.522  925.982    398.135  875.455    356.341  38.787  9.5425  37.972  8.8311  0.8149681      13.00188  
1 1 1 -10 67  22 o 115.993 3.5344  7412.82    444.033  6990.15    654.364  7773.54    604.510  111.355 5.4255  117.987 4.7304  -6.631966      7.198115  
1 1 1 -10 67  23 o 80.202  3.9163  3576.88    340.197  4044.52    513.639  3211.42    454.070  83.921  5.6844  74.772  5.6485  9.149399       8.013614  
1 1 1 -10 67  24 o 25.912  1.8169  367.696    50.670   306.304    447.686  368.492    50.998   25.414  10.346  25.939  1.8269  -0.5243111     10.50655  
1 1 1 -10 67  25 o 58.063  4.2858  1907.92    267.623  2172.22    528.391  1816.73    310.378  58.463  8.6017  56.113  5.1649  2.350494       10.03320  
1 1 1 -10 67  26 o 16.396  7.3693  -51.9157   273.326  -474.3570  447.053  200.260    345.404  16.931  8.1637  21.751  8.9965  -4.819620      12.14833  
1 1 1 -10 67  27 o 40.584  8.8676  1106.37    378.892  1250.09    506.609  923.934    570.783  40.786  11.149  33.869  12.191  6.916939       16.52007  
1 1 1 -10 68  1  f 55.888  2.9127  1699.39    175.706  1618.84    252.734  1774.75    244.443  54.388  4.3261  57.006  3.9841  -2.617210      5.881139  
1 1 1 -10 68  2  o 141.628 3.1064  10886.75   476.507  11074.39   676.405  10701.88   671.390  142.688 4.3767  140.262 4.4194  2.426346       6.219885  
1 1 1 -10 68  3  o 98.706  2.7743  5285.81    296.602  5138.97    420.360  5431.39    418.562  97.233  3.9915  99.972  3.8655  -2.739639      5.556505  
1 1 1 -10 68  4  o 238.526 4.4687  30960.22   1154.49  31249.04   1632.46  30671.23   1632.94  239.068 6.3045  236.825 6.3661  2.242661       8.959556  
1 1 1 -10 68  5  o 151.164 4.6307  12442.03   758.162  11328.37   1064.55  13588.30   1080.02  143.783 6.8358  157.606 6.3269  -13.82236      9.314363  
1 1 1 -10 68  6  f 239.296 4.4466  31174.11   1152.49  30826.71   1629.17  31522.11   1630.56  237.319 6.3382  240.007 6.2726  -2.688034      8.917251  
1 1 1 -10 68  7  o 36.149  4.0524  719.711    155.931  738.106    214.313  699.019    227.300  36.342  5.6265  35.238  6.1808  1.103306       8.358272  
1 1 1 -10 68  8  o 172.166 3.5510  16112.82   662.167  15786.73   936.313  16439.09   936.578  170.080 5.0827  173.585 4.9815  -3.504837      7.116867  
1 1 1 -10 68  9  o 43.692  3.7455  1045.99    175.537  979.915    254.242  1106.19    242.656  41.939  5.7483  44.727  5.1002  -2.788109      7.684713  
1 1 1 -10 68  10 o 19.734  2.0366  213.445    42.906   750.569    227.159  193.573    43.693   36.558  5.9409  18.764  2.1911  17.79420       6.332049  
1 1 1 -10 68  11 o 68.666  2.9494  2561.62    219.354  2511.04    313.228  2610.29    307.284  67.731  4.2919  69.089  4.1252  -1.358154      5.953004  
1 1 1 -10 68  12 o 56.488  2.3440  1731.91    143.411  1906.19    291.168  1676.09    164.785  58.902  4.6005  55.548  2.7389  3.353714       5.354078  
1 1 1 -10 68  13 o 80.582  3.1161  3531.73    271.966  3541.35    402.732  3523.67    368.748  80.351  4.6474  80.231  4.2587  0.1199188      6.303580  
1 1 1 -10 68  14 o 116.895 3.1229  7434.81    395.388  7286.71    568.114  7573.94    550.621  115.424 4.5443  117.733 4.3180  -2.309204      6.268654  
1 1 1 -10 68  15 o 63.744  3.4938  2221.41    240.295  1955.45    348.486  2462.49    331.786  59.373  5.4809  66.899  4.6071  -7.525635      7.159996  
1 1 1 -10 68  16 o 109.088 4.2185  6513.14    498.430  6534.24    694.843  6490.77    715.378  108.557 5.9321  108.107 6.1349  0.4500275      8.533834  
1 1 1 -10 68  17 o 43.776  5.7833  1078.15    267.497  754.303    379.766  1397.03    376.846  35.609  9.6195  49.457  7.2502  -13.84858      12.04578  
1 1 1 -10 68  18 o 57.794  4.0158  1839.41    249.816  1821.53    379.286  1853.11    332.004  56.845  6.2644  57.634  5.3808  -0.7891197     8.258038  
1 1 1 -10 68  19 o 31.336  6.2841  567.195    205.864  460.183    287.256  680.188    295.176  28.135  8.6163  33.879  8.1446  -5.744093      11.85650  
1 1 1 -10 68  20 o 19.617  7.7522  137.621    243.648  128.415    353.425  145.959    336.351  22.135  9.1227  22.034  8.9689  0.1013031      12.79319  
1 1 1 -10 68  21 o 83.219  3.1281  3793.31    281.949  4247.25    494.757  3574.98    343.115  87.012  5.2747  80.524  3.9341  6.487816       6.580265  
1 1 1 -10 68  22 o 22.882  8.3425  278.748    268.511  264.155    436.522  287.630    340.560  25.182  10.230  24.122  9.2697  1.060160       13.80531  
1 1 1 -10 68  23 o 19.672  7.5515  179.995    225.860  73.997     396.368  230.962    274.847  21.493  9.2908  21.718  8.3318  -0.2253265     12.47954  
1 1 1 -10 68  24 o 39.587  6.9954  950.910    288.973  1049.35    475.842  893.392    363.725  38.872  10.875  37.016  9.1294  1.856667       14.19897  
1 1 1 -10 68  25 o 35.631  6.4255  768.587    238.850  615.927    474.531  820.388    276.419  30.013  11.068  36.326  7.2792  -6.313004      13.24703  
1 1 1 -10 68  26 o 44.001  6.5584  1178.89    303.011  892.757    501.565  1343.34    380.245  34.337  11.478  45.913  7.9334  -11.57569      13.95288  
1 1 1 -10 68  27 o 38.244  9.1914  1000.44    376.006  1060.71    502.979  924.090    566.105  37.130  11.407  33.923  12.148  3.207695       16.66373  
1 1 1 -10 69  1  o 134.969 3.0400  9888.09    444.406  10189.75   628.106  9585.71    628.864  136.863 4.2372  132.725 4.3746  4.138077       6.090195  
1 1 1 -10 69  2  o 126.084 3.0475  8629.27    416.172  9158.11    598.856  8135.30    578.771  129.745 4.2615  122.271 4.3703  7.474014       6.104106  
1 1 1 -10 69  3  o 20.901  5.0927  247.626    114.229  253.086    164.384  242.528    158.846  21.444  6.5080  21.012  6.4020  0.4314690      9.129009  
1 1 1 -10 69  4  o 125.834 3.5308  8603.27    481.214  6961.50    870.779  9325.10    577.389  112.394 7.1908  130.936 4.0714  -18.54165      8.263361  
1 1 1 -10 69  5  o 213.631 5.1294  24892.94   1186.86  24869.13   1338.78  24980.35   2565.20  213.318 5.7944  210.876 11.272  2.442886       12.67409  
1 1 1 -10 69  6  f 157.515 3.4918  13483.07   595.722  13213.62   809.201  13801.90   880.230  155.694 4.7986  159.052 5.1096  -3.358719      7.009600  
1 1 1 -10 69  7  o 49.684  3.1374  1346.09    167.964  1293.69    233.318  1402.45    241.995  48.526  4.4901  50.544  4.4664  -2.018230      6.333245  
1 1 1 -10 69  8  o 65.237  2.9958  2311.34    211.680  2030.14    295.179  2609.06    303.726  60.867  4.5096  69.110  4.0757  -8.242599      6.078441  
1 1 1 -10 69  9  o 55.133  3.2207  1657.43    191.486  1543.28    283.981  1752.61    259.302  52.930  5.0133  56.559  4.2642  -3.628792      6.581535  
1 1 1 -10 69  10 o 65.000  2.4443  2292.96    172.083  2141.50    313.657  2358.18    205.826  62.469  4.6695  65.890  2.8841  -3.421173      5.488400  
1 1 1 -10 69  11 o 203.246 3.9761  22509.30   875.285  21933.79   1236.84  23086.66   1238.84  199.979 5.7103  205.229 5.5732  -5.249634      7.979248  
1 1 1 -10 69  12 o 176.022 3.7403  16880.26   713.091  17739.43   965.945  15851.20   1057.14  180.041 4.9535  169.884 5.7453  10.15724       7.585828  
1 1 1 -10 69  13 o 49.789  3.6337  1357.69    194.598  1261.59    273.974  1455.53    276.448  47.653  5.4037  51.306  5.0399  -3.652405      7.389199  
1 1 1 -10 69  14 o 66.519  3.2620  2409.09    235.017  2603.88    337.158  2225.01    327.769  68.838  4.5477  63.557  4.7967  5.281269       6.609838  
1 1 1 -10 69  15 o 77.506  4.1442  3293.83    346.633  3096.39    477.807  3513.20    503.639  74.647  5.9594  79.565  5.8860  -4.917572      8.376153  
1 1 1 -10 69  16 o 23.929  8.1256  303.951    251.404  248.650    330.739  379.632    386.912  24.093  9.1642  27.605  10.022  -3.511564      13.58022  
1 1 1 -10 69  17 o 69.955  3.3862  2671.43    256.568  2616.19    370.479  2722.34    355.659  68.730  5.0113  70.209  4.7042  -1.478584      6.873340  
1 1 1 -10 69  18 o 28.032  6.4480  456.079    191.697  182.736    274.128  717.674    268.172  21.422  8.2933  35.083  7.2953  -13.66058      11.04539  
1 1 1 -10 69  19 o 72.932  3.6335  2913.17    287.020  3095.87    427.153  2762.78    387.546  74.532  5.3265  70.468  5.1124  4.063950       7.382966  
1 1 1 -10 69  20 o 118.730 3.4927  7728.91    449.147  7641.00    631.214  7819.07    639.243  117.320 4.9675  118.676 4.9732  -1.355850      7.029096  
1 1 1 -10 69  21 o 86.367  3.7073  4111.29    346.797  4046.27    504.556  4169.51    477.457  84.620  5.5356  86.149  5.1404  -1.528709      7.554272  
1 1 1 -10 69  22 o 29.898  8.0146  554.006    264.824  844.714    402.119  331.353    351.916  35.980  9.9728  24.978  9.4645  11.00190       13.74895  
1 1 1 -10 69  23 o 28.768  8.0817  518.130    262.222  464.947    393.287  560.694    351.841  27.702  10.097  29.569  9.6013  -1.866983      13.93320  
1 1 1 -10 69  24 o 49.002  5.8457  1406.16    304.129  1195.71    497.424  1531.80    384.334  41.417  10.929  50.184  7.2836  -8.767258      13.13410  
1 1 1 -10 69  25 o 15.738  6.8726  2.5383     221.472  -10.4270   444.149  6.8289     255.503  20.915  9.3978  16.820  7.3622  4.095308       11.93820  
1 1 1 -10 69  26 o 36.580  9.2526  914.376    366.847  792.154    489.765  1070.59    553.697  32.453  11.328  36.816  12.049  -4.363243      16.53825  
1 1 1 -10 69  27 o 32.959  9.6381  764.246    365.829  799.868    491.915  720.165    547.214  32.401  11.351  30.842  11.774  1.559162       16.35468  
1 1 1 -10 70  1  o 127.785 3.0471  8865.30    421.740  8534.71    595.403  9198.18    597.462  125.212 4.3903  130.010 4.2429  -4.798103      6.105515  
1 1 1 -10 70  2  o 111.812 2.8798  6785.70    348.759  6858.82    497.336  6714.95    489.203  112.284 4.0894  111.104 4.0653  1.180901       5.766263  
1 1 1 -10 70  3  o 157.946 3.3757  13552.51   577.484  13823.44   817.303  13282.40   816.071  159.275 4.7377  156.109 4.8265  3.166229       6.763156  
1 1 1 -10 70  4  o 252.125 5.3396  34701.82   1458.13  34465.45   2527.46  34819.74   1785.17  249.208 9.3638  252.050 6.5392  -2.842010      11.42108  
1 1 1 -10 70  5  o 169.401 4.0685  15615.94   746.485  16007.77   911.899  14819.99   1299.69  171.324 4.9143  164.149 7.3102  7.174942       8.808498  
1 1 1 -10 70  6  o 88.310  2.8370  4233.68    271.358  4090.78    381.122  4380.61    386.449  86.696  4.0588  89.723  3.9767  -3.027557      5.682217  
1 1 1 -10 70  7  o 111.782 2.9177  6785.04    353.254  6335.90    504.618  7216.67    494.683  107.845 4.3201  115.151 3.9663  -7.305405      5.864717  
1 1 1 -10 70  8  f 118.814 3.0263  7668.16    389.450  7631.48    557.104  7703.21    544.638  118.339 4.3465  118.913 4.2287  -0.5746765     6.064145  
1 1 1 -10 70  9  o 97.273  2.9239  5139.71    308.052  5044.64    434.671  5235.65    436.637  96.219  4.1709  98.032  4.1123  -1.813049      5.857268  
1 1 1 -10 70  10 o 26.744  5.3855  405.330    150.602  265.554    209.100  555.996    217.093  22.407  7.4079  31.209  6.6271  -8.802097      9.939566  
1 1 1 -10 70  11 o 31.890  4.9965  569.423    166.912  575.099    240.879  564.180    231.498  31.640  7.1919  31.363  6.9931  0.2772655      10.03134  
1 1 1 -10 70  12 o 46.910  2.0200  1193.88    102.633  927.727    283.095  1234.15    110.125  40.485  6.6897  47.690  2.1320  -7.204472      7.021190  
1 1 1 -10 70  13 o 76.563  3.0470  3188.74    252.672  3085.89    358.640  3290.09    356.040  75.003  4.4345  77.491  4.2584  -2.487747      6.148040  
1 1 1 -10 70  14 f 27.844  7.4204  447.318    227.838  821.072    331.464  112.569    313.692  37.551  8.3642  21.255  8.6578  16.29645       12.03814  
1 1 1 -10 70  15 o 106.431 4.2676  6200.78    491.949  6128.68    698.346  6271.80    693.125  105.033 6.1657  106.308 6.0447  -1.274811      8.634499  
1 1 1 -10 70  16 o 73.117  3.2960  2915.91    261.021  3135.64    373.770  2706.75    364.677  75.435  4.5966  69.999  4.8397  5.435173       6.674724  
1 1 1 -10 70  17 o 66.142  2.3689  2378.97    169.702  1945.96    345.378  2516.78    194.845  59.063  5.4608  67.996  2.6457  -8.933170      6.067911  
1 1 1 -10 70  18 o 44.888  4.6415  1121.31    222.401  755.295    335.106  1409.43    297.319  35.592  8.7535  50.106  5.5729  -14.51405      10.37691  
1 1 1 -10 70  19 o 67.289  3.7967  2491.87    275.576  2958.85    413.897  2120.01    369.343  72.817  5.2839  61.457  5.6105  11.35995       7.707030  
1 1 1 -10 70  20 o 52.232  4.8826  1528.31    273.019  1648.03    389.188  1412.30    383.097  53.418  6.8871  49.147  7.4285  4.270432       10.12994  
1 1 1 -10 70  21 o 38.515  6.6848  873.814    268.746  876.954    397.361  871.166    364.845  37.132  9.7541  37.311  9.1078  -0.1796074     13.34521  
1 1 1 -10 70  22 o 48.876  5.4162  1372.42    281.900  1429.02    417.613  1325.05    382.084  48.142  8.3093  46.625  7.8446  1.517239       11.42721  
1 1 1 -10 70  23 o 47.539  5.6448  1311.49    284.969  1033.29    428.086  1532.86    381.875  39.430  10.007  50.456  7.1913  -11.02620      12.32293  
1 1 1 -10 70  24 o 25.541  8.5564  406.135    278.734  305.743    452.488  467.525    353.839  25.224  10.351  27.191  9.6181  -1.966339      14.12944  
1 1 1 -10 70  25 o 46.936  6.1720  1316.77    306.157  1685.89    506.504  1104.27    384.310  50.060  9.6919  40.908  8.9246  9.151173       13.17507  
1 1 1 -10 70  26 o 24.052  9.3594  335.897    350.526  1.4477     464.334  779.012    534.470  21.146  9.5452  32.024  11.756  -10.87815      15.14285  
1 1 1 -10 71  1  o 159.549 3.4143  13832.36   590.021  13286.97   833.691  14379.65   835.142  156.087 4.9314  162.420 4.7473  -6.332947      6.845128  
1 1 1 -10 71  2  o 121.133 2.9937  7967.01    392.769  8134.60    557.016  7801.27    553.915  122.245 4.2069  119.705 4.2723  2.540443       5.995902  
1 1 1 -10 71  3  f 214.808 4.1343  25114.57   961.883  23807.82   1360.00  26422.49   1360.61  208.559 6.0206  219.829 5.7145  -11.26942      8.300809  
1 1 1 -10 71  4  f 48.932  4.6367  1316.52    242.805  1139.01    333.678  1516.29    353.977  45.002  7.0796  52.218  6.3921  -7.215919      9.538366  
1 1 1 -10 71  5  o 133.658 3.0768  9702.84    445.418  9203.68    628.760  10205.68   631.081  129.964 4.4668  136.894 4.2563  -6.930511      6.169907  
1 1 1 -10 71  6  o 108.264 2.9083  6364.68    341.033  7108.92    494.114  5687.63    471.283  114.283 3.9919  102.186 4.2581  12.09636       5.836677  
1 1 1 -10 71  7  o 38.548  4.1252  818.365    169.563  886.960    250.774  760.589    230.148  39.804  6.0035  36.803  5.9790  3.001122       8.472886  
1 1 1 -10 71  8  o 128.458 3.1257  8967.26    434.895  8968.99    617.922  8965.57    612.185  128.245 4.4486  128.228 4.4079  0.1631165E-01  6.262546  
1 1 1 -10 71  9  o 87.521  2.9365  4161.71    278.361  4283.37    398.136  4045.36    389.336  88.648  4.1466  86.146  4.1727  2.501678       5.882663  
1 1 1 -10 71  10 o 33.582  4.6991  627.861    166.238  340.938    241.690  885.476    229.014  24.958  7.9428  39.839  5.4503  -14.88113      9.632973  
1 1 1 -10 71  11 o 58.915  3.4667  1895.94    220.237  1915.05    315.473  1877.78    307.600  58.945  4.9881  58.380  4.9102  0.5648537      6.999429  
1 1 1 -10 71  12 o 91.314  2.7658  4531.73    273.541  4808.36    420.619  4328.98    360.086  93.854  4.1378  89.118  3.7305  4.735168       5.571179  
1 1 1 -10 71  13 o 101.990 4.1875  5683.75    462.573  6122.87    660.980  5262.26    647.580  105.269 5.8198  97.447  6.1674  7.822205       8.479771  
1 1 1 -10 71  14 o 77.230  4.2830  3273.11    356.861  3150.53    510.575  3390.18    498.981  75.182  6.3290  78.136  5.9405  -2.954170      8.680182  
1 1 1 -10 71  15 o 62.615  3.5482  2146.71    239.648  2369.86    366.176  1979.52    316.955  65.400  5.2127  59.809  4.9370  5.590580       7.179561  
1 1 1 -10 71  16 o 15.204  6.4259  16.767     182.033  1.1469     273.117  29.251     244.175  18.093  7.7657  17.645  7.4489  0.4484119      10.76072  
1 1 1 -10 71  17 o 16.800  6.5950  97.527     175.251  86.332     245.346  109.190    250.417  18.718  7.6444  19.320  7.7836  -0.6018448     10.90968  
1 1 1 -10 71  18 o 37.176  5.1697  778.607    202.528  1005.47    290.130  562.997    282.845  41.881  6.6157  30.836  8.2899  11.04544       10.60607  
1 1 1 -10 71  19 o 88.934  3.0665  4322.58    295.374  4581.41    487.498  4172.45    371.287  90.758  4.9783  87.120  3.9348  3.638680       6.345527  
1 1 1 -10 71  20 o 40.804  6.5360  968.305    279.112  775.487    434.640  1103.62    364.109  35.043  10.571  42.878  8.1379  -7.834805      13.34026  
1 1 1 -10 71  21 o 75.494  4.0289  3172.20    328.244  3368.42    489.560  3011.95    442.424  76.608  5.9467  72.606  5.6709  4.001633       8.217242  
1 1 1 -10 71  22 o 46.159  5.7020  1233.87    279.010  1049.89    411.982  1389.75    379.212  40.270  9.5840  47.927  7.5554  -7.657234      12.20397  
1 1 1 -10 71  23 o 75.997  4.1622  3241.94    341.296  3118.08    522.113  3334.36    450.991  72.523  6.7233  76.084  5.5100  -3.560745      8.692745  
1 1 1 -10 71  24 o 20.198  8.1403  170.366    273.996  24.048     440.683  262.575    349.836  21.363  9.4958  23.135  9.2423  -1.772242      13.25105  
1 1 1 -10 71  25 o 26.888  8.6171  471.698    284.088  447.692    463.659  486.128    359.464  26.971  10.683  27.199  9.6864  -0.2272511     14.42040  
1 1 1 -10 71  26 o 22.018  9.0485  221.190    346.453  246.112    458.964  188.179    528.219  23.874  10.152  24.037  10.552  -0.1634083     14.64270  
1 1 1 -10 72  1  o 50.782  3.0245  1405.42    165.599  1168.40    240.446  1619.29    228.402  46.025  4.8987  54.417  3.9011  -8.391666      6.262263  
1 1 1 -10 72  2  o 15.359  5.5169  108.698    116.843  114.419    178.606  104.419    154.487  17.516  6.7172  16.462  6.2628  1.054188       9.183893  
1 1 1 -10 72  3  o 79.802  2.5843  3456.00    223.375  3274.82    290.956  3716.08    348.601  77.618  3.4609  82.642  3.8946  -5.023209      5.210144  
1 1 1 -10 72  4  o 125.181 4.4356  8539.08    601.401  8464.36    868.697  8607.85    833.420  124.033 6.4889  125.329 6.1396  -1.296600      8.933135  
1 1 1 -10 72  5  o 114.618 3.0041  7135.32    372.938  7378.87    532.504  6900.87    522.467  116.391 4.2241  112.549 4.2860  3.842537       6.017661  
1 1 1 -10 72  6  o 68.680  2.9801  2562.15    221.681  2709.41    318.718  2424.16    308.537  70.400  4.1990  66.561  4.3028  3.838463       6.012109  
1 1 1 -10 72  7  o 130.613 3.1615  9271.54    447.256  9434.61    634.594  9110.60    630.458  131.528 4.4546  129.240 4.5039  2.288300       6.334702  
1 1 1 -10 72  8  o 122.994 3.0623  8221.21    407.943  8508.18    575.897  7932.20    577.947  124.918 4.2565  120.582 4.4252  4.335335       6.140044  
1 1 1 -10 72  9  o 111.378 3.0268  6742.74    365.136  6859.74    519.875  6628.82    512.956  112.133 4.2805  110.227 4.2966  1.906593       6.064911  
1 1 1 -10 72  10 o 109.312 3.0596  6496.88    362.247  6395.89    519.610  6592.38    505.281  108.224 4.4329  109.912 4.2444  -1.687729      6.137216  
1 1 1 -10 72  11 o 126.737 3.1358  8737.40    430.445  8288.04    607.763  9189.67    609.726  123.132 4.5572  129.712 4.3399  -6.581024      6.293071  
1 1 1 -10 72  12 o 58.836  4.3703  1902.34    276.509  2067.20    384.440  1725.65    397.999  60.997  5.8924  55.447  6.7678  5.550007       8.973482  
1 1 1 -10 72  13 o 21.462  7.2426  241.303    199.721  99.408     271.374  408.980    295.000  19.856  8.0664  27.191  8.7881  -7.334402      11.92886  
1 1 1 -10 72  14 o 21.842  6.5142  268.605    165.758  380.260    235.787  159.508    233.071  25.869  7.7817  20.036  7.6758  5.832542       10.93036  
1 1 1 -10 72  15 o 75.190  3.2647  3083.00    265.875  2863.50    390.906  3271.95    362.685  71.952  5.0480  77.134  4.3591  -5.181595      6.669601  
1 1 1 -10 72  16 o 30.206  1.9971  497.704    64.969   480.417    275.343  498.723    66.857   28.722  8.3509  30.231  2.0540  -1.509113      8.599851  
1 1 1 -10 72  17 o 22.347  6.9228  281.118    184.827  301.570    264.606  261.633    258.279  23.947  8.3286  22.871  8.2037  1.075735       11.69044  
1 1 1 -10 72  18 o 77.241  3.5081  3266.25    293.490  3101.07    448.404  3390.05    388.193  74.451  5.6018  78.261  4.5999  -3.810463      7.248361  
1 1 1 -10 72  19 o 28.148  7.6575  470.932    239.657  505.690    359.586  443.153    321.461  29.367  9.7148  27.698  9.1864  1.669250       13.37039  
1 1 1 -10 72  20 o 33.821  7.2891  684.995    259.145  861.050    378.000  528.869    355.964  37.063  9.4017  29.494  9.6613  7.568830       13.48088  
1 1 1 -10 72  21 o 62.584  4.3814  2197.11    295.121  2100.67    423.300  2288.34    411.672  59.880  6.6384  62.867  6.1236  -2.986839      9.031425  
1 1 1 -10 72  22 o 63.255  4.4964  2254.75    306.049  2301.96    452.958  2215.09    415.147  62.395  6.8133  61.555  6.3164  0.8399353      9.290739  
1 1 1 -10 72  23 o 13.927  6.5588  -225.7540  255.435  -340.5697  386.791  -136.9515  340.164  16.754  7.9442  17.460  7.9930  -0.7051525     11.26935  
1 1 1 -10 72  24 o 75.074  4.4498  3197.41    360.214  2969.46    592.174  3331.30    453.834  68.898  8.0894  75.671  5.5766  -6.773483      9.825294  
1 1 1 -10 72  25 o 58.504  6.4608  2062.46    402.563  2047.70    540.786  2080.80    602.882  55.461  9.3340  54.483  10.598  0.9780998      14.12230  
1 1 1 -10 72  26 o 19.743  8.5833  74.005     342.190  45.833     456.172  110.255    517.461  21.499  9.6015  23.107  10.280  -1.608418      14.06628  
1 1 1 -10 73  1  o 179.451 3.5253  17509.24   685.193  17487.34   968.209  17531.22   969.811  178.979 4.9946  179.203 4.9966  -0.2238312     7.064796  
1 1 1 -10 73  2  o 189.808 3.8962  19606.46   800.985  19480.44   1201.74  19707.20   1074.45  188.608 5.8827  189.926 5.2231  -1.317383      7.866879  
1 1 1 -10 73  3  o 87.894  2.9865  4195.88    284.304  5004.00    597.828  3959.70    323.189  95.427  5.8118  85.338  3.4966  10.08936       6.782533  
1 1 1 -10 73  4  o 67.064  3.6857  2454.07    266.694  2492.03    309.188  2343.75    527.115  67.500  4.2508  64.726  7.6681  2.774017       8.767499  
1 1 1 -10 73  5  o 93.872  2.7016  4784.21    274.677  4565.52    362.108  5080.56    421.531  91.606  3.6496  96.587  4.0294  -4.980583      5.436504  
1 1 1 -10 73  6  o 50.078  3.5250  1370.85    189.979  1379.48    271.305  1362.55    266.111  49.988  5.0816  49.690  5.0130  0.2977982      7.138151  
1 1 1 -10 73  7  o 9.2883  4.5329  -276.0064  149.161  -153.1094  211.553  -397.5015  210.342  13.635  6.2647  10.940  5.3484  2.694963       8.237226  
1 1 1 -10 73  8  o 46.585  3.6583  1188.76    183.104  982.193    269.669  1365.46    249.412  41.850  6.1311  49.781  4.6807  -7.930294      7.713572  
1 1 1 -10 73  9  o 107.216 2.9550  6248.15    343.149  6203.33    484.919  6293.12    485.653  106.633 4.1986  107.406 4.1747  -0.7734604     5.920872  
1 1 1 -10 73  10 o 62.973  3.2564  2163.38    221.348  2199.13    313.562  2127.86    312.508  63.263  4.6079  62.211  4.6720  1.051567       6.562015  
1 1 1 -10 73  11 o 129.193 4.4734  9124.98    625.953  8671.60    882.447  9584.13    888.043  125.115 6.5346  131.824 6.2197  -6.709053      9.021385  
1 1 1 -10 73  12 o 122.059 4.3675  8148.49    577.393  7824.99    823.261  8461.67    810.013  118.772 6.4235  123.828 6.0395  -5.056007      8.816831  
1 1 1 -10 73  13 o 58.605  4.0153  1885.64    253.340  1770.48    323.980  2066.87    406.431  56.476  5.3607  60.803  6.2610  -4.327789      8.242432  
1 1 1 -10 73  14 f 48.966  3.9762  1319.64    209.056  1279.90    314.010  1351.28    280.174  47.667  6.2312  49.243  5.3385  -1.575932      8.205368  
1 1 1 -10 73  15 o 55.164  3.7728  1671.63    224.066  1524.10    334.706  1791.43    301.625  52.078  6.0464  56.835  4.9493  -4.756325      7.813707  
1 1 1 -10 73  16 o 60.919  2.4596  2018.86    162.285  1980.51    371.534  2027.90    180.404  59.453  5.8453  61.023  2.7295  -1.570042      6.451180  
1 1 1 -10 73  17 o 15.568  6.4646  40.288     179.359  359.227    254.990  -272.0420  252.334  25.281  8.1704  13.697  6.4710  11.58450       10.42255  
1 1 1 -10 73  18 o 53.021  4.0852  1555.21    232.794  1368.11    342.474  1715.92    317.396  48.860  6.6438  55.301  5.3667  -6.440582      8.540530  
1 1 1 -10 73  19 o 27.524  7.5622  452.171    232.376  677.893    344.810  264.350    314.532  33.189  9.2476  23.590  8.9455  9.598413       12.86625  
1 1 1 -10 73  20 o 71.352  3.9535  2828.33    304.340  3061.38    438.631  2611.98    422.620  73.356  5.5620  67.569  5.8319  5.787766       8.059001  
1 1 1 -10 73  21 o 66.594  4.2182  2481.44    302.677  2542.91    434.993  2423.75    421.428  66.261  6.1306  64.710  6.0843  1.550735       8.637344  
1 1 1 -10 73  22 o 21.637  8.1709  238.895    261.735  320.860    391.170  172.452    352.189  25.055  9.8476  21.999  9.0905  3.056746       13.40194  
1 1 1 -10 73  23 o 60.919  4.7106  2112.79    308.400  2044.30    459.997  2168.72    415.653  57.834  7.5216  60.481  6.4444  -2.647350      9.904753  
1 1 1 -10 73  24 o 23.492  8.5396  326.252    281.052  291.223    450.903  348.509    359.413  24.745  10.261  24.666  9.5110  0.7851219E-01  13.99062  
1 1 1 -10 73  25 o 59.010  6.4773  2097.19    407.185  2212.14    547.253  1954.63    609.447  58.102  8.9861  52.195  11.121  5.907223       14.29758  
1 1 1 -10 74  1  o 133.810 3.2085  9730.88    465.003  9395.42    666.785  10048.49   648.811  131.219 4.6916  135.762 4.4123  -4.542923      6.440456  
1 1 1 -10 74  2  o 106.280 2.9502  6135.43    339.601  5818.86    476.114  6463.29    484.533  103.334 4.2540  108.929 4.1068  -5.594864      5.912911  
1 1 1 -10 74  3  o 191.051 5.4671  19973.80   1131.29  19563.00   1596.41  20388.21   1603.40  188.052 7.8378  192.043 7.7085  -3.991409      10.99332  
1 1 1 -10 74  4  o 113.204 2.9923  6962.31    366.887  6852.48    519.157  7071.89    518.557  112.121 4.2750  113.914 4.2029  -1.793266      5.995021  
1 1 1 -10 74  5  o 74.624  2.5064  3022.75    202.584  3055.32    339.255  3004.70    252.556  74.751  4.2074  74.352  3.1361  0.3991928      5.247596  
1 1 1 -10 74  6  o 16.456  6.0421  119.203    141.203  43.237     181.173  236.751    225.368  15.842  6.5307  21.898  7.6824  -6.056126      10.08309  
1 1 1 -10 74  7  f 16.983  6.2858  124.474    153.339  -280.2875  229.130  452.785    206.360  12.822  6.0895  28.102  6.8435  -15.28086      9.160546  
1 1 1 -10 74  8  o 37.194  4.2979  764.773    169.953  782.026    254.165  750.820    228.567  37.147  6.5568  36.507  5.9881  0.6399841      8.879731  
1 1 1 -10 74  9  o 71.248  3.1724  2761.25    244.814  2702.05    341.830  2823.59    350.783  70.179  4.5211  71.743  4.5376  -1.563942      6.405519  
1 1 1 -10 74  10 o 118.537 4.2950  7674.85    551.428  7710.63    789.768  7640.81    770.273  118.117 6.1949  117.628 6.0666  0.4891739      8.670682  
1 1 1 -10 74  11 o 11.668  5.5561  -244.9015  193.185  -18.4220   298.907  -407.3680  253.165  18.705  8.0768  12.532  6.0671  6.172458       10.10175  
1 1 1 -10 74  12 o 71.207  4.1686  2781.28    320.103  2607.78    448.165  2961.98    457.363  68.440  6.1101  73.058  5.8284  -4.618034      8.444131  
1 1 1 -10 74  13 o 51.125  3.7905  1435.36    208.403  1496.83    305.687  1381.99    284.865  51.821  5.5318  49.814  5.3643  2.006756       7.705624  
1 1 1 -10 74  14 o 58.422  3.4817  1869.41    219.312  1735.19    315.807  1994.42    304.794  55.865  5.2820  60.074  4.7224  -4.209358      7.085268  
1 1 1 -10 74  15 o 51.447  3.7901  1455.82    209.710  1654.69    303.180  1273.38    290.384  54.515  5.1976  47.608  5.7478  6.907288       7.749321  
1 1 1 -10 74  16 o 15.231  6.1022  66.454     152.986  69.963     241.249  64.095     197.857  18.273  7.5348  16.761  6.8572  1.511700       10.18794  
1 1 1 -10 74  17 o 57.801  3.7860  1839.43    235.713  1512.63    339.456  2143.72    327.558  51.664  6.1895  62.085  4.9112  -10.42135      7.901277  
1 1 1 -10 74  18 o 30.212  6.9149  537.540    221.387  442.900    369.713  590.445    276.425  28.138  9.8414  31.397  8.0811  -3.258760      12.73414  
1 1 1 -10 74  19 o 77.260  3.7482  3291.16    313.654  3669.31    472.570  2993.41    419.334  80.624  5.4435  72.838  5.3528  7.786156       7.634454  
1 1 1 -10 74  20 o 39.647  2.1321  859.739    91.221   995.940    369.838  850.916    94.129   39.922  8.7910  39.427  2.2132  0.4943428      9.065336  
1 1 1 -10 74  21 f 79.123  3.9448  3479.99    338.062  3807.12    500.516  3205.55    458.434  81.452  5.7095  74.713  5.7083  6.739059       8.073643  
1 1 1 -10 74  22 o 17.694  7.5485  47.719     255.248  339.650    372.385  -210.9864  350.554  25.101  9.6805  17.019  7.9057  8.082277       12.49847  
1 1 1 -10 74  23 o 13.440  6.3857  -258.6557  252.428  -237.6156  373.179  -276.4029  342.735  17.222  8.0519  16.055  7.5720  1.166595       11.05294  
1 1 1 -10 74  24 o 21.068  8.3027  216.357    278.761  254.983    446.111  191.613    357.052  24.113  10.118  21.915  9.1124  2.198467       13.61661  
1 1 1 -10 74  25 f 19.712  8.5532  72.564     338.454  -33.5233   447.557  214.273    517.268  20.602  9.3286  24.346  10.569  -3.744287      14.09686  
1 1 1 -10 75  1  o 45.097  3.8234  1115.12    184.993  1061.08    263.287  1167.81    259.984  43.646  5.7060  45.899  5.3288  -2.252464      7.807401  
1 1 1 -10 75  2  o 22.156  6.0320  278.175    148.642  402.007    203.051  135.195    218.187  26.529  6.9745  19.190  7.4073  7.339382       10.17405  
1 1 1 -10 75  3  o 42.244  6.7780  1006.43    299.637  1007.54    412.670  1005.20    435.776  41.670  9.3707  41.537  9.8379  0.1332207      13.58655  
1 1 1 -10 75  4  o 78.237  2.6634  3323.86    225.689  3082.87    285.417  3725.94    368.675  75.273  3.5008  82.678  4.1170  -7.405022      5.404247  
1 1 1 -10 75  5  o 83.699  2.9309  3806.65    265.697  3833.66    371.415  3778.34    380.244  83.861  4.0891  83.128  4.2373  0.7329788      5.888576  
1 1 1 -10 75  6  o 44.409  1.6214  1069.17    77.987   707.008    241.314  1111.40    82.409   35.288  6.5551  45.276  1.6805  -9.988205      6.767059  
1 1 1 -10 75  7  o 127.066 3.1136  8779.27    428.519  9069.58    602.593  8482.27    609.501  128.911 4.3158  124.621 4.5156  4.289360       6.246326  
1 1 1 -10 75  8  o 54.986  3.4279  1652.08    203.137  1590.17    277.742  1723.29    297.870  53.704  4.8264  55.894  4.9722  -2.190273      6.929429  
1 1 1 -10 75  9  o 45.002  5.1832  1124.43    248.020  1141.13    379.979  1112.04    327.377  44.579  8.1708  44.297  7.0605  0.2823563      10.79875  
1 1 1 -10 75  10 o 118.438 4.3078  7666.81    552.602  7723.15    793.150  7613.67    770.342  118.133 6.2208  117.347 6.0818  0.7866821      8.699831  
1 1 1 -10 75  11 o 79.597  4.0898  3470.63    351.397  3917.40    496.540  3022.39    497.362  84.211  5.4737  73.680  6.2927  10.53099       8.340275  
1 1 1 -10 75  12 o 36.365  1.4380  717.016    56.639   119.195    266.723  745.246    57.961   20.083  8.0535  37.074  1.4434  -16.99032      8.181819  
1 1 1 -10 75  13 o 37.760  4.7405  794.729    189.603  923.535    273.540  675.619    263.045  40.301  6.4867  34.140  7.3325  6.160969       9.789941  
1 1 1 -10 75  14 o 60.036  3.5728  1975.83    231.268  1951.06    345.369  1995.96    311.389  59.186  5.4488  60.045  4.8289  -0.8589554     7.280582  
1 1 1 -10 75  15 o 19.569  1.7970  209.622    37.662   424.318    284.118  205.782    37.997   27.286  8.6042  19.383  1.8316  7.902195       8.796988  
1 1 1 -10 75  16 o 33.317  5.3678  629.480    187.121  425.553    269.450  819.440    260.059  27.158  8.3497  37.745  6.6017  -10.58657      10.64418  
1 1 1 -10 75  17 o 80.686  3.2885  3561.24    287.387  3528.31    419.846  3590.27    394.216  79.692  4.8877  80.530  4.5381  -0.8383942     6.669683  
1 1 1 -10 75  18 o 57.555  4.0473  1836.13    250.693  2029.15    382.269  1690.48    332.072  59.732  5.9894  54.599  5.6994  5.133396       8.267756  
1 1 1 -10 75  19 o 76.602  3.6697  3238.46    304.469  3270.29    441.253  3209.52    420.653  75.987  5.3965  75.402  5.1822  0.5846329      7.481791  
1 1 1 -10 75  20 o 75.586  3.8667  3175.58    315.491  3107.07    470.030  3231.76    425.613  73.489  5.9565  75.453  5.2405  -1.964264      7.933605  
1 1 1 -10 75  21 o 37.706  7.1715  860.255    282.176  587.423    452.697  1033.61    360.855  30.373  10.865  40.640  8.4726  -10.26735      13.77758  
1 1 1 -10 75  22 o 41.586  6.3692  1028.02    277.742  1119.22    409.718  950.483    377.794  41.445  9.3498  38.184  9.2357  3.260559       13.14214  
1 1 1 -10 75  23 f 24.626  8.4158  373.304    269.702  406.424    407.250  347.430    359.948  26.249  10.123  24.776  9.5278  1.473238       13.90187  
1 1 1 -10 75  24 o 55.178  5.7342  1791.93    337.690  2420.22    605.000  1507.61    406.987  60.301  9.5839  48.844  7.9679  11.45692       12.46351  
1 1 1 -10 76  1  o 37.234  4.2840  765.920    169.614  629.927    235.608  912.219    244.372  33.229  6.7761  40.394  5.7477  -7.164776      8.885478  
1 1 1 -10 76  2  o 19.911  6.8622  199.524    179.433  46.478     321.287  268.898    216.311  20.465  8.5868  22.611  7.5374  -2.146004      11.42570  
1 1 1 -10 76  3  o 25.522  1.1492  352.940    31.769   356.558    31.872   -203.4134  395.242  25.653  1.1471  19.353  8.7645  6.299824       8.839281  
1 1 1 -10 76  4  o 33.498  5.0223  626.983    176.600  539.228    257.685  704.704    242.505  30.605  7.7621  35.221  6.5995  -4.615767      10.18836  
1 1 1 -10 76  5  o 31.652  5.3790  563.695    177.804  328.452    263.118  761.398    241.213  24.901  8.3134  36.707  6.2936  -11.80610      10.42700  
1 1 1 -10 76  6  o 16.391  6.1338  111.741    146.804  160.712    191.840  42.542     228.045  19.082  7.0372  17.486  7.2776  1.596052       10.12352  
1 1 1 -10 76  7  o 75.289  3.1363  3083.09    255.756  2928.39    360.152  3240.48    363.254  73.060  4.5744  76.908  4.3789  -3.848755      6.332448  
1 1 1 -10 76  8  o 78.599  4.1811  3382.03    354.658  3050.68    524.063  3662.02    481.732  74.034  6.6049  81.488  5.4901  -7.453697      8.588733  
1 1 1 -10 76  9  o 11.842  5.5911  -210.2553  187.830  -63.1291   243.938  -424.5148  294.377  16.177  7.1337  13.896  6.6810  2.280722       9.773713  
1 1 1 -10 76  10 o 74.252  4.1211  3021.40    330.129  2849.90    467.132  3192.52    466.615  71.609  6.0803  75.928  5.7159  -4.318832      8.345196  
1 1 1 -10 76  11 o 49.597  3.8653  1351.40    206.001  1118.80    300.988  1556.36    282.544  44.506  6.4304  53.012  4.9792  -8.506020      8.132813  
1 1 1 -10 76  12 o 60.738  2.4543  2005.18    161.456  1993.31    328.638  2008.95    185.369  59.988  5.1066  60.760  2.8167  -0.7718239     5.831937  
1 1 1 -10 76  13 o 39.147  5.1165  857.802    211.751  876.131    308.987  841.571    290.766  38.875  7.6108  38.173  7.2986  0.7016335      10.54487  
1 1 1 -10 76  14 o 62.984  3.4294  2172.59    233.065  2178.97    337.134  2166.75    322.557  62.684  5.0074  62.568  4.7963  0.1166458      6.933887  
1 1 1 -10 76  15 o 69.198  2.5246  2605.75    189.214  2336.50    353.426  2713.93    224.024  64.867  5.0708  70.561  2.9313  -5.694016      5.857058  
1 1 1 -10 76  16 f 54.523  4.0342  1641.24    236.546  1754.05    345.052  1541.22    324.909  55.830  5.7904  52.283  5.8373  3.546989       8.222058  
1 1 1 -10 76  17 o 83.193  3.2577  3788.87    293.546  3757.42    432.312  3815.77    399.857  82.166  4.8796  82.985  4.4652  -0.8184357     6.614247  
1 1 1 -10 76  18 o 18.897  1.7350  195.744    35.114   289.292    365.674  194.873    35.277   24.811  9.5859  18.853  1.7474  5.957279       9.743917  
1 1 1 -10 76  19 f 34.516  7.0706  714.587    255.444  998.397    409.772  534.196    326.690  39.548  9.6514  29.340  9.2227  10.20798       13.34944  
1 1 1 -10 76  20 o 55.509  4.8235  1743.66    287.118  1667.95    449.774  1795.72    373.008  52.258  8.2178  55.512  6.3163  -3.254295      10.36472  
1 1 1 -10 76  21 o 36.009  2.0806  710.016    80.802   571.016    366.575  717.114    82.839   29.811  9.8062  36.181  2.1232  -6.370359      10.03341  
1 1 1 -10 76  22 o 23.784  8.3131  335.286    263.776  109.955    388.031  528.864    359.653  21.584  9.2599  28.612  9.7187  -7.028772      13.42388  
1 1 1 -10 76  23 o 32.826  7.8361  685.073    274.743  651.437    406.898  713.259    372.470  30.819  10.338  32.366  9.7904  -1.546371      14.23822  
1 1 1 -10 76  24 o 28.075  9.5609  523.607    348.074  192.436    460.033  967.080    532.350  23.478  10.078  35.782  11.820  -12.30446      15.53269  
1 1 1 -10 77  1  f 18.590  6.1071  182.337    142.196  223.873    194.588  134.740    208.304  20.929  7.1485  18.877  7.2507  2.051853       10.18202  
1 1 1 -10 77  2  o 92.452  3.7726  4655.75    377.763  4280.70    471.273  5329.88    631.831  88.332  4.9458  98.321  5.9613  -9.989204      7.745785  
1 1 1 -10 77  3  o 86.958  3.0050  4110.36    283.024  4123.75    395.404  4096.29    405.291  86.946  4.1988  86.638  4.3191  0.3081284      6.023621  
1 1 1 -10 77  4  f 75.506  2.6299  3096.43    215.072  3139.15    366.713  3074.03    265.534  75.684  4.4937  75.173  3.2613  0.5107346      5.552392  
1 1 1 -10 77  5  o 95.621  3.0912  4972.07    320.146  4869.48    464.623  5064.81    441.751  94.405  4.5440  96.335  4.2337  -1.930916      6.210650  
1 1 1 -10 77  6  o 110.453 2.9941  6633.23    358.192  6845.40    500.832  6411.08    512.490  112.006 4.1284  108.346 4.3672  3.659904       6.009663  
1 1 1 -10 77  7  o 60.171  4.2066  1986.40    272.425  2009.24    394.764  1965.64    376.423  60.083  6.1529  59.480  5.9217  0.6031647      8.539616  
1 1 1 -10 77  8  o 60.985  4.4440  2044.15    291.517  2054.47    401.377  2032.63    424.096  60.726  6.1890  60.285  6.6032  0.4415016      9.050154  
1 1 1 -10 77  9  o 70.656  4.3002  2739.33    327.514  2632.31    487.227  2827.56    442.365  68.639  6.6366  71.422  5.7677  -2.783119      8.792610  
1 1 1 -10 77  10 f 56.538  3.6813  1751.47    224.203  1790.08    319.083  1713.81    315.097  56.827  5.2433  55.580  5.2985  1.247463       7.454229  
1 1 1 -10 77  11 o 114.224 3.1134  7106.36    385.174  7205.36    544.881  7007.47    544.557  114.694 4.3862  113.090 4.4458  1.603470       6.245328  
1 1 1 -10 77  12 f 35.314  1.8382  678.636    70.064   547.581    254.916  689.346    72.871   30.639  7.6928  35.586  1.8974  -4.947453      7.923324  
1 1 1 -10 77  13 o 25.509  6.4668  376.309    178.916  467.904    258.556  292.152    247.835  28.365  8.0449  23.528  8.0673  4.837845       11.39302  
1 1 1 -10 77  14 o 90.761  3.2469  4495.42    319.181  4290.77    474.039  4665.16    431.706  88.081  4.9894  92.187  4.3236  -4.105659      6.602107  
1 1 1 -10 77  15 o 83.820  2.8360  3829.72    257.463  3877.90    432.432  3803.26    320.450  83.713  4.7892  83.376  3.5485  0.3371353      5.960559  
1 1 1 -10 77  16 o 29.296  6.0997  497.414    187.258  511.293    272.029  484.914    258.159  29.351  8.2265  28.627  8.0106  0.7235641      11.48239  
1 1 1 -10 77  17 o 74.611  3.4215  3055.07    276.494  3061.08    417.823  3050.39    368.793  73.855  5.2576  74.018  4.6233  -0.1627731     7.001230  
1 1 1 -10 77  18 o 57.542  2.4999  1808.73    155.804  1348.62    398.236  1891.89    169.299  47.315  8.0597  58.816  2.6576  -11.50092      8.486553  
1 1 1 -10 77  19 o 19.234  7.5548  150.872    230.091  -135.0566  340.359  391.524    312.250  17.752  8.0762  25.923  9.0456  -8.170383      12.12631  
1 1 1 -10 77  20 o 59.448  4.2840  1982.48    273.993  1937.95    399.411  2022.06    376.568  57.495  6.5296  59.108  5.9636  -1.612221      8.843113  
1 1 1 -10 77  21 o 28.359  1.8250  440.046    55.760   176.026    347.280  447.032    56.493   21.934  9.0419  28.583  1.8345  -6.649010      9.226089  
1 1 1 -10 77  22 o 39.553  1.4564  850.977    62.392   95.592     396.241  870.182    63.180   21.492  9.2898  39.997  1.4584  -18.50506      9.403611  
1 1 1 -10 77  23 o 4.7859  2.3458  -80.7697   41.244   322.089    441.758  -84.3122   41.425   25.098  10.255  4.7385  2.3282  20.35998       10.51558  
1 1 1 -10 77  24 o 24.248  9.2910  338.418    341.509  11.675     453.341  767.128    519.282  21.289  9.5351  32.367  11.630  -11.07788      15.03904  
1 1 1 -10 78  1  o 43.457  3.7835  1036.64    176.305  884.160    245.006  1200.40    253.897  39.704  5.8748  46.548  5.1207  -6.844231      7.793235  
1 1 1 -10 78  2  o 53.272  5.5250  1573.09    314.151  1380.96    431.491  1789.81    458.271  49.125  8.4122  56.288  7.7202  -7.163334      11.41782  
1 1 1 -10 78  3  o 54.644  3.4953  1632.16    205.783  1584.06    289.894  1681.01    292.161  53.556  5.0574  55.209  4.9380  -1.652500      7.068339  
1 1 1 -10 78  4  o 111.665 3.1027  6781.49    375.252  6836.06    530.797  6726.96    530.576  111.877 4.3804  110.973 4.4143  0.9036179      6.218860  
1 1 1 -10 78  5  o 75.608  2.6174  3105.54    214.341  2832.78    369.199  3244.21    263.247  71.796  4.7750  77.223  3.1474  -5.427361      5.718976  
1 1 1 -10 78  6  o 102.140 4.1092  5695.16    454.600  5527.71    653.425  5852.24    632.872  99.987  6.0623  103.013 5.6943  -3.026108      8.317272  
1 1 1 -10 78  7  o 91.150  4.3499  4541.68    429.444  4442.30    612.483  4637.77    602.296  89.464  6.3624  91.504  6.1123  -2.040260      8.822700  
1 1 1 -10 78  8  o 68.544  4.5664  2583.04    337.074  2589.15    507.776  2578.23    450.701  67.951  6.9995  68.061  6.1814  -0.1102448     9.338228  
1 1 1 -10 78  9  o 14.427  5.9807  31.810     153.150  57.415     221.988  8.5535     211.562  17.515  7.2257  16.196  6.8900  1.319365       9.984131  
1 1 1 -10 78  10 o 77.251  3.0833  3249.78    257.979  3399.16    367.013  3103.89    362.701  78.682  4.3232  75.139  4.4770  3.543228       6.223664  
1 1 1 -10 78  11 o 28.586  6.3547  470.706    191.656  439.283    271.565  501.889    270.522  27.699  8.3554  29.382  8.1926  -1.682545      11.70179  
1 1 1 -10 78  12 o 130.090 3.2639  9230.84    459.884  8945.90    650.755  9515.12    649.993  127.575 4.7096  131.633 4.5591  -4.057243      6.554776  
1 1 1 -10 78  13 o 105.463 3.1204  6065.02    356.439  5891.14    510.001  6231.06    498.361  103.541 4.5476  106.562 4.3179  -3.021248      6.270974  
1 1 1 -10 78  14 o 64.528  2.5748  2266.51    179.957  2288.83    358.939  2259.02    207.985  64.144  5.2116  64.366  2.9834  -0.2217712     6.005067  
1 1 1 -10 78  15 o 74.583  2.6704  3031.24    215.717  2859.73    395.172  3104.04    257.460  71.678  5.1239  75.381  3.1534  -3.702782      6.016540  
1 1 1 -10 78  16 o 80.911  3.2894  3585.28    288.264  3660.66    428.619  3523.04    389.515  81.070  4.9045  79.688  4.5317  1.382156       6.677578  
1 1 1 -10 78  17 o 72.179  3.5593  2866.66    278.257  2912.29    438.554  2835.90    360.001  71.676  5.6961  71.236  4.6922  0.4398727      7.379840  
1 1 1 -10 78  18 o 35.527  6.6736  747.821    247.369  950.872    416.271  636.972    307.566  38.488  9.9225  31.988  8.6635  6.499531       13.17236  
1 1 1 -10 78  19 o 30.634  7.2367  569.702    236.292  573.950    344.842  565.942    324.426  30.184  9.4734  30.020  9.1498  0.1642151      13.17056  
1 1 1 -10 78  20 o 25.854  7.7728  409.332    235.299  436.168    343.190  385.527    323.231  26.901  9.4769  25.671  9.1807  1.229431       13.19459  
1 1 1 -10 78  21 o 20.852  8.0121  212.311    254.407  364.287    393.815  103.462    333.285  25.704  9.9432  20.452  8.6721  5.251656       13.19372  
1 1 1 -10 78  22 o 27.953  1.8762  428.215    56.476   602.441    384.578  424.375    57.095   30.014  10.051  27.822  1.9062  2.192034       10.22973  
1 1 1 -10 78  23 o ?       ?       -294.9389  34.121   -280.9052  415.507  -295.0342  34.236   17.788  8.3733  ?       ?       0.000000       8.373284  
1 1 1 -10 79  1  o 71.724  4.6561  2825.05    359.753  2876.29    493.893  2767.15    525.073  71.936  6.4060  70.378  6.9803  1.557655       9.474257  
1 1 1 -10 79  2  o 27.261  6.7001  426.740    196.426  362.708    225.644  627.076    399.122  25.384  7.6072  33.119  10.159  -7.735641      12.69129  
1 1 1 -10 79  3  o 93.730  3.0202  4777.83    306.606  4845.53    434.874  4710.92    432.351  94.194  4.2625  92.870  4.2982  1.324112       6.053432  
1 1 1 -10 79  4  o 19.711  6.4124  207.858    156.912  145.938    212.778  281.676    232.323  19.243  7.3431  23.167  7.8114  -3.923773      10.72096  
1 1 1 -10 79  5  o 75.021  4.3807  3086.62    354.409  3104.29    529.912  3072.31    476.719  74.643  6.6233  74.452  5.9617  0.1909409      8.911274  
1 1 1 -10 79  6  f 70.861  4.4673  2757.04    341.111  3217.69    507.547  2377.56    460.662  76.110  6.2111  65.235  6.6111  10.87461       9.071050  
1 1 1 -10 79  7  o 98.800  4.1577  5334.49    444.918  5190.65    633.058  5474.89    625.430  96.786  6.0696  99.497  5.8290  -2.710747      8.415358  
1 1 1 -10 79  8  o 132.247 3.2078  9525.20    459.476  9467.02    646.585  9584.56    653.057  131.469 4.5408  132.277 4.5582  -0.8078461     6.433993  
1 1 1 -10 79  9  o 65.355  3.6083  2337.48    254.430  2029.56    368.266  2618.68    351.926  60.400  5.6965  68.933  4.7424  -8.533009      7.412251  
1 1 1 -10 79  10 o 44.277  4.4301  1084.85    209.603  991.321    309.614  1163.98    284.787  41.606  7.1269  45.516  5.9166  -3.910286      9.262815  
1 1 1 -10 79  11 o 41.325  4.3821  946.611    193.143  693.740    281.207  1172.43    265.741  34.484  7.7212  45.774  5.4683  -11.29013      9.461473  
1 1 1 -10 79  12 o 59.265  2.4667  1910.14    158.338  2189.58    318.268  1818.23    182.529  62.937  4.7029  57.699  2.9304  5.238445       5.541156  
1 1 1 -10 79  13 o 61.802  3.5507  2094.45    236.680  2265.41    326.004  1903.91    344.167  63.982  4.7380  58.401  5.5060  5.581337       7.263949  
1 1 1 -10 79  14 o 84.156  2.9132  3862.54    265.538  4523.29    451.244  3512.53    328.422  90.478  4.6201  80.058  3.7875  10.41959       5.974138  
1 1 1 -10 79  15 o 56.978  4.0749  1794.79    249.812  1447.15    373.429  2076.39    336.090  50.082  7.0817  60.953  5.1388  -10.87072      8.749680  
1 1 1 -10 79  16 o 73.042  3.5855  2932.22    283.655  2580.01    425.649  3213.59    380.444  67.458  5.8846  75.958  4.6467  -8.499435      7.498020  
1 1 1 -10 79  17 o 48.184  4.5536  1303.98    234.828  1181.98    384.691  1376.44    296.474  44.070  8.3653  49.040  5.6872  -4.970169      10.11545  
1 1 1 -10 79  18 o 100.175 3.3862  5528.45    367.398  5449.52    541.487  5595.79    500.132  98.285  5.1042  100.057 4.6150  -1.772484      6.881201  
1 1 1 -10 79  19 o 18.874  7.6293  123.345    241.455  98.861     381.641  139.687    311.790  21.666  9.2362  20.812  8.5719  0.8537674      12.60102  
1 1 1 -10 79  20 o 61.744  4.2263  2140.16    280.936  1861.11    410.999  2384.88    384.891  55.929  6.9334  64.375  5.5752  -8.446270      8.896863  
1 1 1 -10 79  21 f 18.644  7.6248  117.937    244.526  -106.4513  360.618  308.916    332.691  18.316  8.3252  23.942  9.1710  -5.625360      12.38615  
1 1 1 -10 79  22 o 29.964  7.8261  571.161    256.760  560.606    379.863  580.039    348.402  29.050  9.9860  29.532  9.5510  -0.4819889     13.81821  
1 1 1 -10 79  23 o 36.890  8.7138  889.804    342.618  449.305    443.187  1544.12    540.143  27.112  10.531  46.884  10.851  -19.77216      15.12161  
1 1 1 -10 80  1  o 98.160  4.3962  5267.02    467.388  5271.90    649.105  5261.75    673.546  97.582  6.1733  97.401  6.4206  0.1810455      8.906993  
1 1 1 -10 80  2  f 89.762  2.9965  4382.45    291.323  4233.82    413.144  4529.43    410.852  88.017  4.3337  91.070  4.1652  -3.052391      6.010871  
1 1 1 -10 80  3  f 92.585  2.8049  4660.16    281.277  4368.10    368.372  5068.53    435.598  89.493  3.8004  96.331  4.1749  -6.838264      5.645597  
1 1 1 -10 80  4  o 76.777  4.1132  3228.35    340.795  3038.58    509.223  3382.30    458.648  73.881  6.4277  78.268  5.4443  -4.386429      8.423478  
1 1 1 -10 80  5  o 117.624 4.2090  7561.32    536.221  8138.08    772.546  7025.14    744.873  121.506 5.8702  112.648 6.1281  8.858376       8.486079  
1 1 1 -10 80  6  o 132.710 4.4356  9638.51    637.567  9926.68    914.039  9365.44    889.764  133.969 6.2993  130.121 6.3133  3.848373       8.918448  
1 1 1 -10 80  7  o 79.490  3.1500  3440.69    271.199  3382.06    387.957  3496.71    379.259  78.440  4.5864  79.808  4.4045  -1.368141      6.358848  
1 1 1 -10 80  8  o 25.443  1.1575  350.840    31.897   -7.5622    257.378  356.431    32.145   17.497  7.5251  25.645  1.1573  -8.147919      7.613543  
1 1 1 -10 80  9  o 63.155  3.3985  2181.47    231.615  2261.15    327.765  2101.99    327.341  64.004  4.7622  61.652  4.9437  2.352055       6.864260  
1 1 1 -10 80  10 o 74.373  3.3226  3017.02    267.651  3039.50    371.644  2992.79    385.784  74.259  4.6440  73.621  4.8655  0.6377411      6.726056  
1 1 1 -10 80  11 o 89.557  2.9007  4368.36    281.372  4409.62    448.136  4341.51    361.513  89.468  4.6405  89.112  3.7455  0.3559418      5.963491  
1 1 1 -10 80  12 o 40.023  5.0140  896.031    212.581  924.069    311.733  871.659    290.643  39.934  7.4821  38.855  7.1704  1.079266       10.36322  
1 1 1 -10 80  13 o 21.431  7.2175  245.760    198.333  460.105    293.106  64.729     269.367  28.199  8.7149  19.000  7.9088  9.199057       11.76853  
1 1 1 -10 80  14 o 60.950  2.4322  2022.57    160.561  2196.84    342.989  1973.66    181.699  62.770  5.0888  60.158  2.7886  2.611168       5.802765  
1 1 1 -10 80  15 o 20.994  6.9984  241.775    186.480  496.719    275.421  25.971     253.399  28.830  8.3434  17.684  7.5321  11.14637       11.24033  
1 1 1 -10 80  16 o 33.998  5.6345  666.455    200.215  604.474    299.398  716.594    269.283  31.410  8.5646  34.609  7.4075  -3.198225      11.32358  
1 1 1 -10 80  17 o 52.612  4.3833  1550.55    247.504  1430.92    414.272  1616.95    308.643  48.630  8.1539  53.275  5.4246  -4.644653      9.793476  
1 1 1 -10 80  18 f 36.007  6.2197  761.402    233.794  512.261    353.812  954.502    311.488  28.846  9.6403  39.774  7.5057  -10.92837      12.21761  
1 1 1 -10 80  19 o 17.506  7.2473  79.339     224.442  124.282    334.856  42.678     302.433  21.011  8.7880  18.978  8.1595  2.033228       11.99191  
1 1 1 -10 80  20 o 61.555  4.3481  2134.25    288.023  2203.12    433.409  2079.77    385.448  61.012  6.6671  59.712  6.0430  1.299789       8.998226  
1 1 1 -10 80  21 o 72.020  4.0933  2913.98    317.980  3021.05    478.272  2829.16    425.690  71.687  6.2215  69.817  5.6786  1.869934       8.423401  
1 1 1 -10 80  22 o 52.885  5.3357  1621.52    301.448  1787.87    483.440  1515.70    385.590  52.842  8.7531  49.681  7.3909  3.161201       11.45613  
1 1 1 -10 81  1  o 61.637  5.2835  2101.73    349.313  1921.75    485.809  2294.38    502.625  58.153  7.9190  63.797  7.4122  -5.644260      10.84666  
1 1 1 -10 81  2  o 117.652 3.0302  7531.95    386.141  7693.21    546.812  7371.54    545.364  118.631 4.2557  116.104 4.3368  2.527451       6.076075  
1 1 1 -10 81  3  o 172.749 5.0801  16380.57   950.521  16515.77   1346.11  16246.12   1342.38  172.292 7.2135  170.854 7.2540  1.437897       10.23011  
1 1 1 -10 81  4  o 76.312  4.1166  3191.31    338.992  3197.23    509.122  3186.60    454.353  75.806  6.2568  75.889  5.5665  -0.8353424E-01 8.374552  
1 1 1 -10 81  5  o 48.161  4.9753  1286.02    255.786  1548.80    421.322  1132.63    321.896  52.141  7.6915  44.684  6.8712  7.457035       10.31373  
1 1 1 -10 81  6  o 47.361  4.0464  1234.58    205.576  1450.14    319.284  1081.94    268.678  50.933  5.8968  43.930  5.7877  7.003193       8.262585  
1 1 1 -10 81  7  o 30.584  5.7273  532.129    182.751  410.429    246.385  680.973    272.479  26.801  7.9304  34.268  7.5455  -7.466944      10.94652  
1 1 1 -10 81  8  o 29.982  5.7135  512.205    178.766  388.807    248.812  643.873    257.014  26.189  8.0188  33.327  7.3204  -7.137297      10.85771  
1 1 1 -10 81  9  o 106.507 3.1491  6182.46    363.270  5942.21    519.188  6412.88    508.462  104.041 4.6073  108.165 4.3401  -4.124123      6.329604  
1 1 1 -10 81  10 o 168.990 3.6234  15601.38   663.207  15691.96   942.199  15512.43   933.691  168.728 5.1557  167.770 5.1383  0.9580994      7.278945  
1 1 1 -10 81  11 o 175.022 3.8010  16757.20   720.545  16987.87   973.425  16477.63   1071.65  175.507 5.1208  172.454 5.7373  3.052704       7.690238  
1 1 1 -10 81  12 o 102.690 3.1528  5754.68    350.663  5687.47    495.298  5822.23    496.528  101.689 4.4970  102.901 4.4550  -1.212334      6.330121  
1 1 1 -10 81  13 o 90.578  3.1982  4482.32    313.764  4289.23    442.235  4678.04    445.238  88.061  4.6531  92.155  4.4607  -4.093315      6.445881  
1 1 1 -10 81  14 o 82.077  2.8775  3678.81    255.805  3973.04    436.906  3525.34    315.544  84.551  4.7906  80.149  3.6349  4.401962       6.013505  
1 1 1 -10 81  15 o 48.023  4.6181  1291.59    237.243  1302.82    355.361  1282.57    318.657  47.179  7.1808  47.156  6.4047  0.2246475E-01  9.622078  
1 1 1 -10 81  16 o 23.773  7.4087  331.669    211.326  399.061    330.010  284.825    275.137  26.415  9.2945  23.227  8.4483  3.188570       12.56036  
1 1 1 -10 81  17 o 72.141  3.7663  2884.89    293.260  3201.13    428.247  2605.64    402.421  75.176  5.2933  67.648  5.5409  7.527939       7.662972  
1 1 1 -10 81  18 o 61.526  4.2443  2118.55    281.103  1895.13    443.387  2268.71    363.491  56.338  7.4490  63.078  5.3716  -6.740620      9.183737  
1 1 1 -10 81  19 o 65.742  4.2260  2423.07    299.322  2826.95    453.637  2111.66    398.343  69.817  6.0590  60.188  6.1991  9.628967       8.668392  
1 1 1 -10 81  20 o 46.446  5.5554  1252.07    273.924  1312.91    431.929  1211.15    354.282  45.190  9.1387  44.418  7.6395  0.7720413      11.91124  
1 1 1 -10 81  21 o 31.915  7.6384  640.270    260.520  710.183    397.748  587.742    344.768  32.286  10.180  29.829  9.4859  2.456568       13.91480  
1 1 1 -10 81  22 o 52.482  6.4538  1644.30    359.129  1540.96    462.208  1801.72    570.483  48.685  9.1001  51.213  10.633  -2.527866      13.99518  
1 1 1 -10 82  1  o 13.459  5.7244  3.5851     145.981  126.317    233.462  -75.2074   187.060  19.329  7.6043  13.733  6.1397  5.596089       9.773460  
1 1 1 -10 82  2  o 181.143 5.2269  18034.66   1025.50  17377.21   1451.35  18690.16   1449.20  176.376 7.5974  183.128 7.3064  -6.751907      10.54058  
1 1 1 -10 82  3  o 122.732 4.3568  8242.70    579.151  7884.94    819.586  8599.51    818.501  119.181 6.3723  124.760 6.0572  -5.578972      8.791794  
1 1 1 -10 82  4  o 89.412  3.4101  4357.61    330.246  4554.97    409.819  3992.09    557.716  91.274  4.1455  84.770  6.1154  6.503731       7.388041  
1 1 1 -10 82  5  o 32.885  5.6273  612.068    193.224  555.411    284.069  660.855    263.599  30.887  8.3095  33.786  7.4076  -2.898989      11.13193  
1 1 1 -10 82  6  o 47.456  4.2864  1242.64    217.942  1088.44    320.877  1374.69    296.946  43.698  7.0172  49.619  5.6247  -5.921619      8.993232  
1 1 1 -10 82  7  o 62.579  3.5445  2143.95    239.261  1860.90    337.039  2431.51    339.709  57.851  5.4430  66.381  4.7564  -8.530163      7.228364  
1 1 1 -10 82  8  o 57.658  3.6330  1822.55    225.716  1817.42    323.560  1827.42    315.033  57.192  5.2831  57.393  5.1217  -0.2017288     7.358163  
1 1 1 -10 82  9  o 45.934  4.3663  1167.07    214.619  1070.12    291.360  1282.08    317.335  43.448  6.3816  47.654  6.3029  -4.206005      8.969482  
1 1 1 -10 82  10 o 97.965  3.1516  5233.04    334.407  5202.99    475.077  5262.55    470.797  97.337  4.5063  97.912  4.4394  -0.5755539     6.325732  
1 1 1 -10 82  11 o 22.464  7.1693  280.265    196.803  143.485    294.667  390.412    264.427  21.159  8.4719  26.238  8.3035  -5.079357      11.86263  
1 1 1 -10 82  12 o 51.922  4.1493  1489.96    231.397  1469.52    339.398  1507.71    316.309  50.913  6.2884  51.768  5.7378  -0.8550415     8.512733  
1 1 1 -10 82  13 o 27.529  7.1910  446.336    216.761  536.166    305.760  355.575    307.338  29.999  8.8225  25.646  8.9728  4.353064       12.58362  
1 1 1 -10 82  14 o 22.357  1.8486  273.560    44.361   339.462    283.908  271.911    44.912   24.835  8.6276  22.285  1.8782  2.550201       8.829712  
1 1 1 -10 82  15 o 50.296  4.2974  1412.72    231.856  1610.49    333.069  1226.78    322.953  53.049  5.8965  45.864  6.6989  7.185753       8.924353  
1 1 1 -10 82  16 f 33.221  6.1122  646.021    211.825  753.785    307.256  548.409    292.427  35.047  8.2340  29.841  8.5859  5.206169       11.89613  
1 1 1 -10 82  17 o 42.855  5.9302  1064.10    267.880  1226.37    403.164  935.829    358.447  44.548  8.6677  38.741  8.7493  5.807388       12.31581  
1 1 1 -10 82  18 o 54.876  4.5573  1697.23    268.420  1700.84    395.764  1694.15    365.273  53.577  6.9863  53.841  6.3884  -0.2635155     9.466804  
1 1 1 -10 82  19 o 32.096  7.3103  632.333    248.449  621.465    377.192  640.661    330.198  30.886  9.9325  31.529  9.1387  -0.6429062     13.49704  
1 1 1 -10 82  20 o 18.671  7.5835  124.648    239.796  142.868    349.681  108.474    329.468  21.357  8.9597  20.418  8.6381  0.9388084      12.44556  
1 1 1 -10 82  21 o 29.757  7.9890  562.892    262.898  274.050    401.194  780.259    348.034  24.114  9.8032  34.390  9.1742  -10.27660      13.42643  
1 1 1 -10 83  1  o 65.159  4.3622  2334.38    306.075  2316.64    447.181  2350.01    419.824  64.324  6.5082  64.936  6.0383  -0.6124802     8.877946  
1 1 1 -10 83  2  o 91.193  4.1084  4547.41    405.796  4909.35    574.810  4187.79    572.957  94.186  5.6610  86.799  6.1340  7.387146       8.347001  
1 1 1 -10 83  3  o 114.023 3.4511  7089.71    426.206  7323.79    528.751  6655.50    720.150  115.693 4.2196  109.521 6.0951  6.172211       7.413191  
1 1 1 -10 83  4  o 57.934  3.4571  1836.92    215.938  1808.00    297.875  1868.94    313.489  57.184  4.8553  58.103  5.0310  -0.9189873     6.991774  
1 1 1 -10 83  5  o 99.609  3.1360  5405.33    338.327  5398.22    481.855  5412.25    475.150  99.236  4.4831  99.383  4.4142  -0.1471634     6.291508  
1 1 1 -10 83  6  o 17.352  6.6997  112.917    178.523  -42.6537   252.878  267.486    252.062  16.756  7.3297  23.023  8.1206  -6.266344      10.93933  
1 1 1 -10 83  7  o 113.116 3.1267  6972.67    383.072  6983.28    546.528  6962.43    537.087  112.836 4.4719  112.690 4.4004  0.1459732      6.273859  
1 1 1 -10 83  8  o 191.638 3.8654  20083.71   802.314  19871.48   1132.98  20297.20   1136.32  189.671 5.5151  191.721 5.4722  -2.050049      7.769198  
1 1 1 -10 83  9  o 135.597 3.2913  10031.67   483.383  9675.07    687.245  10380.83   680.025  132.618 4.7845  137.465 4.5673  -4.846741      6.614546  
1 1 1 -10 83  10 o 119.463 3.2041  7788.01    414.574  7913.46    596.274  7670.61    576.804  119.941 4.5899  118.119 4.5086  1.822525       6.433871  
1 1 1 -10 83  11 o 113.870 3.1895  7080.39    393.369  7197.07    557.448  6964.66    555.175  114.339 4.5013  112.454 4.5581  1.884521       6.406130  
1 1 1 -10 83  12 o 112.078 3.1858  6866.62    386.726  6940.26    547.579  6793.34    546.249  112.156 4.5077  110.945 4.5458  1.210861       6.401881  
1 1 1 -10 83  13 o 57.576  3.8272  1831.11    237.306  1778.72    335.786  1883.39    335.416  56.123  5.5987  57.838  5.4174  -1.715256      7.790584  
1 1 1 -10 83  14 o 69.724  3.6264  2682.82    272.915  2859.73    401.850  2531.36    371.817  71.282  5.2417  67.085  5.1567  4.196793       7.353052  
1 1 1 -10 83  15 o 77.787  3.5083  3332.49    295.582  3682.15    435.750  3034.48    402.286  80.938  4.9951  73.397  5.0919  7.541496       7.132913  
1 1 1 -10 83  16 o 23.868  7.5550  335.005    218.894  580.423    335.186  152.510    289.040  30.512  9.3004  20.682  8.3518  9.830437       12.49999  
1 1 1 -10 83  17 o 51.531  4.7148  1499.78    260.235  1508.53    382.163  1492.21    355.353  50.359  7.2125  50.398  6.6741  -0.3877258E-01 9.826692  
1 1 1 -10 83  18 o 28.851  7.8159  515.750    250.296  636.896    399.312  437.347    321.235  31.319  10.231  26.820  9.1846  4.498156       13.74917  
1 1 1 -10 83  19 o 14.960  2.2301  124.936    35.030   417.392    367.287  122.252    35.190   26.525  9.7439  14.787  2.2697  11.73744       10.00471  
1 1 1 -10 83  20 o 20.872  7.7754  229.741    235.369  101.302    349.688  336.126    318.252  20.684  8.8299  24.282  9.0421  -3.597887      12.63836  
1 1 1 -10 83  21 o 18.596  7.7257  103.327    256.345  -15.0588   383.016  199.383    345.009  19.818  8.8283  22.069  9.0448  -2.250601      12.63909  
1 1 1 -10 84  1  o 72.319  4.2829  2873.56    333.977  2533.04    484.744  3181.27    460.795  67.156  6.7560  75.712  5.6601  -8.555298      8.813671  
1 1 1 -10 84  2  o 61.931  3.7466  2102.34    250.134  2134.05    312.919  2046.22    416.297  62.192  4.6798  60.387  6.4653  1.804611       7.981266  
1 1 1 -10 84  3  o 78.014  3.0740  3315.11    259.746  3153.93    362.528  3485.13    372.341  75.732  4.4391  79.650  4.3323  -3.917465      6.202775  
1 1 1 -10 84  4  o 16.064  6.2588  90.783     156.900  -17.4156   244.743  166.278    204.436  16.886  7.3000  19.460  7.2470  -2.573853      10.28634  
1 1 1 -10 84  5  o 85.520  3.0728  3984.34    284.627  4356.36    406.612  3626.91    398.556  89.193  4.2090  81.186  4.5508  8.007118       6.198855  
1 1 1 -10 84  6  o 68.807  3.3660  2582.54    250.851  2862.05    374.968  2356.10    337.498  72.004  4.8361  65.309  4.8050  6.695404       6.817292  
1 1 1 -10 84  7  o 76.962  3.1707  3228.93    264.304  3175.93    374.583  3281.49    372.987  75.925  4.5764  77.208  4.4795  -1.282997      6.403862  
1 1 1 -10 84  8  o 57.518  3.8125  1817.45    236.167  1943.76    328.964  1683.12    339.255  59.145  5.1876  54.827  5.8011  4.318329       7.782322  
1 1 1 -10 84  9  o 39.621  4.7746  876.400    200.769  874.515    285.043  878.257    282.830  38.940  7.0166  39.049  6.9416  -0.1092949     9.870048  
1 1 1 -10 84  10 o 73.887  3.3897  2984.01    271.269  2978.62    378.158  2989.72    389.350  73.338  4.7870  73.428  4.9241  -0.9008026E-01 6.867461  
1 1 1 -10 84  11 o 48.530  4.3291  1306.82    225.158  1461.15    333.687  1177.81    305.075  50.729  6.2023  45.413  6.3782  5.316082       8.896585  
1 1 1 -10 84  12 o 63.611  3.6997  2229.71    253.801  1957.75    370.379  2470.46    348.479  58.810  5.8940  66.561  4.8676  -7.750713      7.644116  
1 1 1 -10 84  13 o 64.341  3.7298  2286.46    258.810  2085.34    377.843  2464.23    355.229  60.589  5.8296  66.308  4.9827  -5.718662      7.668863  
1 1 1 -10 84  14 o 29.379  6.6468  512.407    206.563  449.688    293.879  573.650    290.400  27.407  8.7623  30.593  8.4734  -3.185486      12.18918  
1 1 1 -10 84  15 o 19.661  7.2496  189.925    203.588  315.484    291.846  70.905     284.143  24.128  8.7126  19.144  8.0561  4.984554       11.86633  
1 1 1 -10 84  16 o 58.869  4.1320  1933.86    261.794  1974.64    395.420  1902.04    349.318  58.346  6.3601  57.644  5.6682  0.7021904      8.519406  
1 1 1 -10 84  17 o 68.797  3.9297  2635.72    291.600  2606.05    426.649  2661.73    399.462  67.256  5.9171  68.285  5.4464  -1.028580      8.042082  
1 1 1 -10 84  18 o 28.424  7.7226  500.931    243.939  850.579    370.691  233.863    323.973  36.218  9.3763  22.600  8.9366  13.61746       12.95296  
1 1 1 -10 84  19 o 35.178  2.1143  678.335    80.183   819.295    444.226  673.588    81.522   34.587  10.735  35.046  2.1582  -0.4588089     10.95022  
1 1 1 -10 84  20 o 45.336  6.5152  1226.39    310.727  1179.72    547.363  1248.58    377.439  40.393  11.783  44.688  8.0961  -4.295082      14.29627  
1 1 1 -10 85  1  o 18.385  6.6337  159.676    169.143  261.481    247.115  69.939     232.008  22.783  8.0401  18.058  7.4109  4.725100       10.93457  
1 1 1 -10 85  2  o 65.183  3.3191  2322.74    233.550  2259.81    325.763  2389.28    335.012  63.981  4.7345  65.798  4.7325  -1.817215      6.694163  
1 1 1 -10 85  3  o 30.891  5.3431  540.315    172.300  498.707    250.954  577.419    236.984  29.273  7.7814  31.563  7.1037  -2.289902      10.53629  
1 1 1 -10 85  4  o 62.038  3.3644  2105.34    225.221  2064.81    328.833  2141.14    309.103  61.065  5.0161  62.294  4.6141  -1.229218      6.815518  
1 1 1 -10 85  5  o 14.906  6.2025  31.946     165.602  21.671     265.664  38.476     211.783  18.219  7.7349  16.749  6.9956  1.470081       10.42913  
1 1 1 -10 85  6  f 35.524  5.2312  710.000    195.253  777.874    308.583  664.682    252.147  36.459  8.0314  33.874  7.0995  2.584499       10.71943  
1 1 1 -10 85  7  o 85.589  3.2424  3996.75    300.581  4034.84    426.783  3959.26    423.407  85.551  4.6230  84.741  4.6306  0.8096390      6.543348  
1 1 1 -10 85  8  o 59.104  3.6452  1917.81    232.208  1846.85    334.453  1983.84    322.648  57.521  5.4326  59.756  5.0320  -2.234955      7.405012  
1 1 1 -10 85  9  o 29.564  5.9250  502.898    183.115  465.474    293.250  526.817    234.438  28.321  8.7112  29.976  7.2908  -1.655092      11.35959  
1 1 1 -10 85  10 o 67.681  3.5575  2515.73    259.872  2120.81    381.766  2856.73    354.749  61.402  5.8095  71.813  4.5848  -10.41156      7.400689  
1 1 1 -10 85  11 o 29.542  6.5813  511.264    205.191  446.606    280.951  585.178    300.390  27.574  8.5340  31.189  8.6098  -3.614317      12.12265  
1 1 1 -10 85  12 o 48.868  4.2399  1329.50    222.191  1399.80    316.393  1261.09    312.103  49.491  6.0269  46.823  6.3152  2.667526       8.729603  
1 1 1 -10 85  13 o 94.223  3.2191  4872.17    328.519  5097.90    466.042  4649.22    463.164  95.785  4.4922  91.252  4.7022  4.532494       6.503119  
1 1 1 -10 85  14 o 90.103  3.3450  4463.50    326.441  4791.78    475.123  4169.98    449.276  92.541  4.7563  86.271  4.8275  6.270035       6.777009  
1 1 1 -10 85  15 o 28.252  7.2260  481.826    221.999  670.274    340.454  342.429    292.813  32.662  9.2203  24.713  8.7486  7.949844       12.71029  
1 1 1 -10 85  16 o 24.640  8.0718  358.936    248.468  144.114    382.493  515.768    326.814  22.410  9.3843  28.849  9.2421  -6.438807      13.17124  
1 1 1 -10 85  17 o 29.636  7.8935  544.669    257.907  200.760    411.288  767.536    331.091  23.615  9.7964  34.793  8.7844  -11.17812      13.15808  
1 1 1 -10 85  18 o 27.495  7.8594  470.284    245.777  436.045    374.631  496.155    325.655  26.993  9.8522  28.062  9.2432  -1.068953      13.50934  
1 1 1 -10 85  19 o 20.331  7.7508  203.890    236.918  372.163    356.382  70.630     317.145  25.440  9.5497  19.571  8.3833  5.868906       12.70736  
1 1 1 -10 85  20 o 15.284  6.9375  -94.4361   249.327  173.422    409.981  -251.6402  314.082  22.843  9.6484  15.512  7.2951  7.331752       12.09583  
1 1 1 -10 86  1  o 153.229 3.5116  12817.16   582.792  12523.69   852.457  13074.69   798.565  150.740 5.2212  154.238 4.7802  -3.497879      7.078965  
1 1 1 -10 86  2  o 160.646 3.4822  14086.60   605.897  13720.30   855.129  14455.89   858.616  157.886 5.0006  162.120 4.8898  -4.234222      6.993984  
1 1 1 -10 86  3  o 103.312 3.0922  5816.79    346.010  5688.90    485.031  5949.31    493.749  101.843 4.3971  104.154 4.3768  -2.310905      6.204131  
1 1 1 -10 86  4  o 133.020 3.2122  9649.37    462.800  10066.89   658.403  9241.61    650.661  135.420 4.4889  129.694 4.6320  5.726089       6.450196  
1 1 1 -10 86  5  o 144.318 3.3433  11367.56   522.596  11524.07   745.253  11216.14   733.024  144.735 4.7540  142.794 4.7395  1.940063       6.712972  
1 1 1 -10 86  6  o 85.410  3.1413  3979.11    290.596  3964.11    418.244  3993.11    404.054  84.792  4.5710  85.160  4.3956  -0.3672104     6.341551  
1 1 1 -10 86  7  o 163.226 3.5188  14565.67   622.089  14234.18   875.024  14904.43   884.587  160.570 5.0314  164.345 4.9695  -3.775223      7.071836  
1 1 1 -10 86  8  o 51.548  3.8476  1464.38    213.269  1457.67    298.569  1471.37    304.742  50.976  5.4944  51.189  5.5873  -0.2121620     7.836226  
1 1 1 -10 86  9  f 58.944  3.7674  1913.38    239.260  1879.12    327.085  1952.82    350.897  57.955  5.2683  58.984  5.5581  -1.029182      7.658188  
1 1 1 -10 86  10 o 25.905  6.8178  394.188    193.896  316.772    277.559  467.977    270.980  24.308  8.5257  28.109  8.3167  -3.801256      11.91029  
1 1 1 -10 86  11 o 45.872  4.5509  1177.01    223.124  1168.97    334.466  1183.46    299.510  44.717  7.1464  45.376  6.2609  -0.6593285     9.501031  
1 1 1 -10 86  12 o 30.257  6.9011  544.165    221.153  533.210    315.237  554.783    310.336  29.603  9.0186  30.139  8.8953  -0.5361099     12.66733  
1 1 1 -10 86  13 o 48.064  4.7404  1299.42    243.564  1152.98    346.886  1441.83    342.067  44.029  7.5456  49.886  6.4841  -5.857235      9.948883  
1 1 1 -10 86  14 o 46.657  4.5753  1223.99    228.237  1056.75    327.165  1382.54    318.559  42.075  7.4519  48.926  6.1472  -6.851158      9.660193  
1 1 1 -10 86  15 o 21.754  7.5468  261.679    217.195  315.661    335.631  222.786    284.888  24.611  9.2619  21.936  8.4651  2.674868       12.54750  
1 1 1 -10 86  16 o 43.648  5.7926  1103.66    267.081  1050.75    409.099  1142.96    352.588  40.508  9.4905  43.356  7.7950  -2.848446      12.28137  
1 1 1 -10 86  17 o 18.630  7.6979  100.005    252.524  223.904    364.871  -13.9007   349.848  23.137  9.3694  19.329  8.5325  3.807364       12.67238  
1 1 1 -10 86  18 o 52.864  5.1522  1602.03    291.250  1434.22    478.624  1700.71    367.025  46.862  9.7474  53.678  6.4415  -6.816353      11.68349  
1 1 1 -10 86  19 o 24.297  8.2443  355.245    258.801  265.037    425.518  408.205    326.036  24.476  10.040  25.959  9.2271  -1.483479      13.63575  
1 1 1 -10 87  1  o 69.735  3.2695  2653.44    246.947  2702.32    353.211  2606.70    345.391  69.949  4.6893  68.700  4.6695  1.248390       6.617655  
1 1 1 -10 87  2  o 118.479 3.1397  7655.07    402.902  7431.73    568.438  7880.54    571.151  116.308 4.5123  119.810 4.4014  -3.501968      6.303427  
1 1 1 -10 87  3  o 100.122 2.9258  5462.19    317.279  5305.36    424.603  5660.46    477.429  98.417  3.9833  101.550 4.3407  -3.132797      5.891390  
1 1 1 -10 87  4  o 49.919  3.6462  1369.72    195.777  1303.69    279.049  1433.73    274.743  48.258  5.4333  50.738  5.0673  -2.479553      7.429492  
1 1 1 -10 87  5  o 65.455  3.3165  2345.47    234.359  2705.72    337.921  2011.63    325.305  70.016  4.4795  60.171  5.0379  9.844421       6.741399  
1 1 1 -10 87  6  o 139.742 3.3513  10670.29   507.233  10839.43   720.820  10504.39   713.901  140.219 4.7462  138.020 4.7756  2.199158       6.732968  
1 1 1 -10 87  7  o 93.010  3.1257  4724.01    314.884  4844.86    445.522  4603.39    445.104  93.817  4.3845  91.411  4.4956  2.405739       6.279682  
1 1 1 -10 87  8  o 23.720  6.9100  325.477    188.356  244.577    276.058  395.945    257.646  22.686  8.4267  26.186  8.1836  -3.500036      11.74652  
1 1 1 -10 87  9  o 22.651  6.9393  294.046    186.301  156.730    263.190  431.945    263.748  20.462  8.0663  27.112  8.2469  -6.650263      11.53585  
1 1 1 -10 87  10 o 25.207  7.1295  374.516    203.356  207.172    308.546  503.035    270.394  22.382  8.7612  28.946  8.2330  -6.564089      12.02251  
1 1 1 -10 87  11 o 41.524  4.7870  971.694    211.350  1169.57    304.294  787.268    293.771  44.953  6.4332  36.226  7.7232  8.727592       10.05157  
1 1 1 -10 87  12 o 24.503  7.2640  354.661    206.574  669.215    313.228  112.538    274.809  32.987  8.6576  19.712  8.0748  13.27543       11.83879  
1 1 1 -10 87  13 o 66.099  3.6226  2415.18    258.362  2368.54    367.720  2460.65    363.082  64.719  5.2921  66.064  5.1141  -1.344460      7.359397  
1 1 1 -10 87  14 o 37.427  5.7857  811.396    226.970  893.120    345.739  749.502    300.884  37.971  8.6056  34.948  8.1060  3.022614       11.82221  
1 1 1 -10 87  15 o 32.434  6.4260  624.015    217.760  772.312    316.248  490.306    300.290  35.253  8.4016  28.201  8.8385  7.051474       12.19452  
1 1 1 -10 87  16 o 34.767  6.8838  726.527    250.049  673.241    364.924  773.688    343.312  32.286  9.6738  34.834  9.0260  -2.548092      13.23068  
1 1 1 -10 87  17 o 76.716  3.1479  3244.29    261.565  3510.58    541.715  3163.33    298.691  77.379  6.5245  75.523  3.6515  1.855804       7.476825  
1 1 1 -10 87  18 o 53.208  5.0402  1619.68    287.004  2117.90    449.082  1275.69    373.154  59.425  7.1190  45.488  7.8581  13.93678       10.60327  
1 1 1 -10 87  19 o 36.487  7.5463  823.080    288.385  1242.74    538.886  654.663    341.383  41.900  11.518  31.623  9.3286  10.27725       14.82152  
1 1 1 -10 88  1  o 82.650  3.1467  3727.50    281.689  3586.22    400.748  3865.48    396.031  80.595  4.6100  83.760  4.3806  -3.165039      6.359379  
1 1 1 -10 88  2  o 17.445  6.6466  123.472    174.163  468.533    249.717  -203.3465  243.027  28.300  7.8643  14.126  6.5686  14.17439       10.24663  
1 1 1 -10 88  3  o 11.114  5.2411  -177.3737  164.089  -233.3393  225.802  -114.7467  238.862  13.102  6.1690  15.111  6.8312  -2.009435      9.204447  
1 1 1 -10 88  4  o 61.796  3.4700  2094.58    231.311  2263.71    322.175  1914.66    332.307  63.924  4.6859  58.576  5.2951  5.348812       7.070757  
1 1 1 -10 88  5  o 70.876  3.3498  2746.35    257.153  2887.51    361.708  2602.09    365.662  72.219  4.6489  68.436  4.9670  3.783554       6.803192  
1 1 1 -10 88  6  o 29.894  6.4440  519.846    202.498  789.584    295.473  280.950    278.068  36.604  7.6969  23.569  8.5054  13.03548       11.47101  
1 1 1 -10 88  7  o 43.808  4.4613  1069.59    208.731  1221.82    313.104  947.814    280.036  46.196  6.4322  40.532  6.6066  5.664253       9.220651  
1 1 1 -10 88  8  o 83.001  3.1745  3770.28    285.383  3768.74    401.989  3771.83    405.215  82.426  4.5200  82.445  4.5555  -0.1848602E-01 6.417426  
1 1 1 -10 88  9  o 86.779  3.2438  4127.38    304.885  4104.73    439.702  4148.35    423.120  85.839  4.7478  86.399  4.5374  -0.5599136     6.567347  
1 1 1 -10 88  10 o 85.452  3.3869  4009.97    313.467  4175.70    446.618  3849.05    440.074  86.484  4.7866  82.952  4.9201  3.531731       6.864297  
1 1 1 -10 88  11 o 76.719  3.3552  3233.00    278.796  3173.07    397.730  3290.91    390.913  75.259  4.9061  76.741  4.7261  -1.481377      6.812201  
1 1 1 -10 88  12 o 44.852  4.6066  1130.88    220.607  1133.54    316.210  1128.37    307.926  43.968  6.8642  43.952  6.6785  0.1586914E-01  9.577078  
1 1 1 -10 88  13 o 16.041  6.7077  46.516     195.032  173.433    279.219  -74.3990   272.536  20.890  8.2850  16.565  7.4080  4.325850       11.11394  
1 1 1 -10 88  14 o 17.839  7.1533  109.782    210.424  292.855    325.096  -22.2195   276.051  24.011  9.0970  17.378  7.6284  6.633335       11.87218  
1 1 1 -10 88  15 o 67.511  3.9652  2539.27    288.665  2722.14    450.518  2411.90    375.984  68.614  6.1266  65.029  5.3866  3.584908       8.157884  
1 1 1 -10 88  16 o 65.680  4.2833  2420.03    303.035  2474.29    457.078  2377.47    404.784  64.921  6.5917  64.123  5.8943  0.7985764      8.842665  
1 1 1 -10 88  17 f 15.094  6.7426  -55.5240   225.094  -170.4203  454.241  -18.1268   259.151  19.957  9.1732  16.756  7.3726  3.200781       11.76870  
1 1 1 -10 88  18 o 24.508  8.4971  357.379    275.314  -11.8323   471.815  548.001    339.016  21.855  9.7625  29.192  9.4195  -7.336971      13.56585  
1 1 1 -10 89  1  o 25.733  6.4194  385.509    178.326  460.367    254.689  313.517    249.766  27.999  7.9996  23.980  8.0993  4.019581       11.38387  
1 1 1 -10 89  2  o 71.309  3.3188  2780.26    256.327  2773.22    366.134  2787.03    358.974  70.695  4.8103  70.910  4.7006  -0.2148743     6.725695  
1 1 1 -10 89  3  o 25.672  6.5127  384.307    181.374  458.018    249.958  302.340    263.586  27.907  7.9083  23.866  8.3119  4.040751       11.47294  
1 1 1 -10 89  4  o 46.183  4.2867  1184.11    211.980  1166.22    303.340  1201.18    296.353  45.176  6.3768  45.956  6.1050  -0.7800026     8.827995  
1 1 1 -10 89  5  o 33.698  5.7363  650.258    201.865  865.115    295.227  461.606    276.639  38.423  7.3621  28.008  8.4297  10.41496       11.19198  
1 1 1 -10 89  6  o 47.725  4.1947  1264.59    214.624  1214.99    299.052  1317.28    308.203  46.135  6.1369  48.100  6.0498  -1.964188      8.617552  
1 1 1 -10 89  7  o 78.905  3.2412  3410.15    277.000  3357.81    392.343  3462.17    391.135  77.692  4.6844  78.933  4.5949  -1.241035      6.561799  
1 1 1 -10 89  8  o 46.401  4.4514  1202.99    220.971  1039.65    298.931  1399.76    328.101  42.264  6.7579  49.381  6.2762  -7.117313      9.222840  
1 1 1 -10 89  9  o 14.778  6.3994  -9.1793    188.704  221.640    281.634  -197.2280  254.205  22.074  8.4422  14.460  6.7221  7.613746       10.79150  
1 1 1 -10 89  10 o 40.794  5.3263  947.129    229.720  969.279    325.768  925.220    323.986  40.263  7.7515  39.250  7.8946  1.012772       11.06388  
1 1 1 -10 89  11 o 31.176  6.7921  577.011    222.865  687.111    353.868  504.630    286.917  33.190  9.4110  28.815  8.5651  4.375023       12.72504  
1 1 1 -10 89  12 o 32.703  6.3860  629.859    218.084  753.137    330.079  534.354    290.528  34.841  8.7569  29.505  8.5780  5.336899       12.25834  
1 1 1 -10 89  13 o 66.606  3.7585  2459.56    270.038  2614.16    398.736  2328.59    367.014  67.810  5.4757  64.053  5.3388  3.757118       7.647627  
1 1 1 -10 89  14 o 30.424  6.6534  554.072    213.139  615.105    308.861  498.582    294.500  31.311  8.7621  28.389  8.7293  2.922056       12.36837  
1 1 1 -10 89  15 o 92.036  3.5279  4683.28    351.672  4542.58    505.008  4815.75    490.010  89.415  5.2374  92.326  4.9179  -2.910889      7.184441  
1 1 1 -10 89  16 o 94.974  3.5343  4994.25    363.565  4723.90    523.276  5246.56    505.502  90.971  5.3341  96.300  4.8622  -5.328461      7.217560  
1 1 1 -10 89  17 o 4.8451  2.2530  -25.6898   28.587   112.692    397.956  -26.4076   28.661   21.984  9.4033  4.8290  2.2489  17.15541       9.668485  
1 1 1 -10 90  1  o 77.038  3.1882  3245.96    266.022  3149.99    375.441  3342.73    376.988  75.352  4.6225  77.679  4.5001  -2.326942      6.451247  
1 1 1 -10 90  2  o 17.640  6.8240  121.471    185.496  -120.8407  261.221  367.942    263.454  15.753  7.1307  25.451  8.3104  -9.697506      10.95031  
1 1 1 -10 90  3  o 70.066  3.3060  2687.74    250.887  2801.69    350.259  2567.68    359.538  71.046  4.5761  67.871  4.9244  3.174965       6.722388  
1 1 1 -10 90  4  o 78.415  3.2617  3366.67    277.024  3395.08    395.151  3339.22    388.476  78.163  4.6893  77.532  4.6475  0.6304626      6.602173  
1 1 1 -10 90  5  o 116.854 3.2101  7476.77    406.287  7336.65    578.494  7613.17    570.739  115.067 4.6417  117.300 4.4923  -2.232582      6.459580  
1 1 1 -10 90  6  o 61.925  3.5105  2112.16    234.485  2308.29    338.380  1930.97    325.234  64.247  4.8997  58.623  5.1754  5.624489       7.126817  
1 1 1 -10 90  7  o 52.234  3.8509  1510.98    216.324  1684.23    310.846  1348.28    301.238  54.634  5.3206  48.628  5.8360  6.005573       7.897318  
1 1 1 -10 90  8  o 91.171  3.3038  4561.10    326.242  4369.53    457.105  4760.00    465.769  88.484  4.7874  92.430  4.6676  -3.945824      6.686218  
1 1 1 -10 90  9  o 32.065  6.2766  601.686    210.186  602.346    319.608  601.182    279.007  31.325  8.9654  31.464  8.1291  -0.1396084     12.10208  
1 1 1 -10 90  10 o 62.114  3.8027  2136.06    254.601  1990.96    375.490  2259.54    346.388  59.035  5.9538  63.354  5.0910  -4.319714      7.833608  
1 1 1 -10 90  11 o 41.673  5.3793  991.704    237.131  1055.62    338.724  930.266    332.081  41.941  7.7417  39.140  8.1004  2.801052       11.20493  
1 1 1 -10 90  12 o 36.599  5.7670  775.518    221.038  1139.88    331.786  484.752    296.390  43.806  7.2462  28.187  8.7723  15.61864       11.37805  
1 1 1 -10 90  13 o 57.730  3.9639  1856.57    246.355  1882.02    353.116  1832.44    343.864  57.255  5.7730  56.533  5.6934  0.7221336      8.108168  
1 1 1 -10 90  14 o 62.897  3.9638  2205.23    268.650  2199.97    402.786  2209.44    360.568  61.640  6.1137  62.209  5.4051  -0.5685577     8.160443  
1 1 1 -10 90  15 o 4.4550  2.1249  -37.7416   28.512   304.571    350.123  -40.0269   28.607   24.361  9.3890  4.4006  2.1070  19.96086       9.622551  
1 1 1 -10 90  16 o 17.865  7.4552  77.770     240.234  314.387    355.666  -120.7540  325.781  24.538  9.4614  17.361  7.8993  7.177305       12.32546  
1 1 1 -10 90  17 o 18.878  1.9099  196.240    38.514   225.769    577.002  196.108    38.600   26.183  11.264  18.871  1.9151  7.312761       11.42586  
1 1 1 -10 91  1  f 26.363  6.1262  406.471    171.594  328.609    246.057  480.190    239.422  24.162  8.0382  28.387  7.6251  -4.224522      11.07949  
1 1 1 -10 91  2  o 37.725  5.0063  804.504    199.503  541.815    286.851  1050.62    277.653  29.998  8.4616  42.776  6.1714  -12.77725      10.47309  
1 1 1 -10 91  3  o 53.796  3.7939  1600.00    219.642  1564.66    305.871  1637.63    315.600  52.633  5.4442  53.840  5.4888  -1.206944      7.730884  
1 1 1 -10 91  4  o 17.598  6.6652  133.931    174.483  226.826    227.697  1.7881     271.572  21.226  7.6909  17.810  7.6945  3.416689       10.87917  
1 1 1 -10 91  5  o 16.250  6.6568  64.608     186.763  -49.2221   273.584  163.950    255.581  17.082  7.5428  20.341  7.9706  -3.258371      10.97380  
1 1 1 -10 91  6  o 38.743  4.9575  848.883    203.259  1012.34    312.341  728.810    267.699  41.478  7.2145  35.030  7.2927  6.447712       10.25832  
1 1 1 -10 91  7  o 36.374  5.2643  754.025    201.367  790.985    303.434  724.937    269.184  36.252  7.9470  34.897  7.3537  1.354897       10.82736  
1 1 1 -10 91  8  o 36.276  5.6210  755.716    213.711  871.057    286.424  610.862    320.986  38.390  7.1516  31.542  8.9699  6.848274       11.47185  
1 1 1 -10 91  9  o 56.311  4.0115  1761.10    243.063  1743.41    363.324  1775.43    327.020  55.097  6.1957  55.955  5.4658  -0.8571358     8.262058  
1 1 1 -10 91  10 o 24.762  7.0846  364.646    199.614  278.184    287.545  445.071    277.326  23.280  8.6095  27.206  8.4885  -3.926594      12.09039  
1 1 1 -10 91  11 o 75.319  3.5136  3125.82    286.633  3250.88    421.014  3017.78    391.331  75.913  5.1510  73.234  4.9628  2.678291       7.152794  
1 1 1 -10 91  12 o 44.219  5.1969  1115.06    244.154  779.406    348.704  1437.87    341.965  35.161  9.0897  49.620  6.5208  -14.45877      11.18680  
1 1 1 -10 91  13 o 29.396  7.2583  525.328    229.717  385.852    369.381  613.292    293.343  26.290  9.7510  31.352  8.4481  -5.061340      12.90166  
1 1 1 -10 91  14 f 50.437  4.4500  1433.19    240.606  1434.27    350.499  1432.22    330.884  49.269  6.7452  49.480  6.3184  -0.2103958     9.242298  
1 1 1 -10 91  15 o 49.976  2.5834  1372.03    139.359  1336.57    427.695  1376.24    147.403  46.046  8.8979  50.011  2.7316  -3.965672      9.307709  
1 1 1 -10 91  16 o 25.501  8.7579  390.287    292.138  448.973    588.549  371.100    336.522  29.058  11.850  25.434  9.3293  3.624739       15.08195  
1 1 1 -10 92  1  o 92.059  3.5976  4658.74    358.711  4799.15    648.865  4596.94    430.472  91.655  6.5800  91.129  4.3613  0.5257416      7.894153  
1 1 1 -10 92  2  o 18.554  6.8605  161.794    182.568  115.839    263.998  203.917    252.749  19.574  7.9544  21.151  8.0193  -1.576378      11.29517  
1 1 1 -10 92  3  o 77.049  3.2477  3254.64    271.031  3419.42    380.143  3084.27    386.528  78.420  4.4943  74.316  4.8283  4.104401       6.596278  
1 1 1 -10 92  4  o 48.418  4.2071  1305.04    218.434  1628.71    315.148  1005.77    303.033  53.646  5.5017  41.446  6.9998  12.19944       8.903147  
1 1 1 -10 92  5  o 20.687  7.1141  230.213    192.801  -5.7706    281.396  439.015    264.694  17.957  7.7952  27.160  8.2617  -9.202370      11.35880  
1 1 1 -10 92  6  o 56.163  3.8284  1746.24    231.499  2028.00    348.116  1522.85    309.971  59.915  5.4231  51.777  5.6174  8.137882       7.808034  
1 1 1 -10 92  7  o 71.498  3.3845  2807.94    262.097  3111.83    381.528  2536.35    360.674  74.625  4.7450  67.233  4.9885  7.391708       6.884786  
1 1 1 -10 92  8  o 51.837  4.0633  1494.62    226.308  1471.72    317.109  1518.40    323.069  50.719  5.8818  51.520  5.8958  -0.8009796     8.327996  
1 1 1 -10 92  9  o 80.313  3.3254  3545.00    289.266  3528.35    415.115  3560.72    403.308  79.337  4.8542  79.793  4.6872  -0.4551239     6.747807  
1 1 1 -10 92  10 o 51.991  4.1396  1507.68    231.175  1450.00    331.732  1562.13    322.332  50.070  6.2533  52.220  5.7968  -2.149403      8.526842  
1 1 1 -10 92  11 o 7.0639  2.7281  17.759     29.608   -70.4234   310.245  18.569     29.744   17.724  7.9168  7.1261  2.7392  10.59793       8.377261  
1 1 1 -10 92  12 o 32.606  7.2383  643.093    248.957  178.768    375.004  1009.01    332.901  22.798  9.3967  40.741  7.8287  -17.94281      12.23053  
1 1 1 -10 92  13 o 26.583  7.8774  432.080    242.972  447.526    371.804  420.566    320.996  27.468  9.8439  26.548  9.1766  0.9199772      13.45783  
1 1 1 -10 92  14 o 35.364  6.8820  752.115    254.116  576.184    361.935  923.155    356.868  30.044  9.7367  38.192  8.8072  -8.147346      13.12891  
1 1 1 -10 92  15 o 79.296  3.1018  3462.54    266.400  3643.12    469.434  3376.75    323.545  79.802  5.4640  77.969  3.8313  1.833687       6.673387  
1 1 1 -10 93  1  o 47.479  3.8620  1250.21    196.882  1118.13    284.860  1371.01    272.422  44.101  6.1295  49.289  5.1804  -5.188984      8.025401  
1 1 1 -10 93  2  o 48.444  4.0072  1303.53    208.371  1195.74    287.771  1422.33    302.114  45.700  5.9553  50.014  5.6777  -4.313953      8.228169  
1 1 1 -10 93  3  o 64.953  3.4832  2324.25    244.151  2076.85    340.421  2586.29    350.356  60.741  5.2253  68.026  4.7856  -7.285419      7.085658  
1 1 1 -10 93  4  f 75.323  3.3398  3113.97    272.473  3569.53    390.908  2683.50    379.993  80.083  4.5253  69.138  5.1106  10.94422       6.826193  
1 1 1 -10 93  5  o 80.086  3.2495  3518.62    281.868  3467.91    395.770  3570.82    401.536  78.849  4.6548  80.015  4.6533  -1.165802      6.581869  
1 1 1 -10 93  6  o 89.058  3.2388  4351.99    312.408  4087.09    452.158  4593.96    432.143  85.459  4.9055  91.007  4.3841  -5.548370      6.579117  
1 1 1 -10 93  7  o 67.815  3.4973  2536.75    256.006  2450.62    370.103  2615.76    354.496  65.918  5.2267  68.314  4.8221  -2.395782      7.111285  
1 1 1 -10 93  8  o 75.928  3.4314  3171.28    282.190  3134.44    404.828  3206.09    393.565  74.669  5.0350  75.632  4.8297  -0.9623413     6.976899  
1 1 1 -10 93  9  o 28.242  7.1597  479.687    219.307  427.947    303.983  535.847    316.702  26.863  8.9343  29.515  9.0486  -2.651436      12.71609  
1 1 1 -10 93  10 o 46.761  4.6831  1233.08    234.001  1089.47    351.130  1347.82    313.853  42.415  7.9350  48.250  6.1451  -5.835388      10.03625  
1 1 1 -10 93  11 o 29.958  6.6308  536.277    209.462  628.108    301.019  450.073    291.650  31.745  8.5595  27.212  8.7321  4.533821       12.22761  
1 1 1 -10 93  12 o 36.141  1.8553  713.114    72.380   668.306    318.303  715.557    74.327   32.568  8.8104  36.196  1.9026  -3.628235      9.013503  
1 1 1 -10 93  13 o 19.077  7.3416  163.527    213.823  -51.0136   327.306  323.258    282.419  18.323  8.1619  23.950  8.5798  -5.626921      11.84184  
1 1 1 -10 93  14 o 17.321  7.5242  6.7947     262.535  101.137    405.642  -61.2088   344.393  22.116  9.4775  18.632  8.3305  3.483784       12.61827  
1 1 1 -10 94  1  o 54.908  2.4294  1644.62    144.478  1604.16    162.489  1797.40    315.726  54.099  2.7825  56.453  5.2228  -2.354420      5.917782  
1 1 1 -10 94  2  f 15.139  6.3232  37.510     173.028  -101.1391  236.956  195.887    253.252  15.068  6.8087  20.936  8.0059  -5.867791      10.50961  
1 1 1 -10 94  3  o 69.829  3.3723  2678.07    255.055  2518.19    356.572  2845.58    364.980  67.011  4.9478  71.348  4.7501  -4.336937      6.858900  
1 1 1 -10 94  4  o 12.168  5.6644  -151.2678  181.510  56.074     263.240  -339.1959  250.613  18.398  7.7489  12.842  6.1718  5.556342       9.906368  
1 1 1 -10 94  5  o 64.122  4.2094  2286.51    290.718  2216.75    344.218  2460.06    542.953  62.746  5.1094  64.465  7.9443  -1.719501      9.445474  
1 1 1 -10 94  6  o 36.690  5.0254  765.528    194.458  600.151    282.313  914.825    268.237  31.357  8.2142  39.596  6.4786  -8.239130      10.46159  
1 1 1 -10 94  7  f 30.196  6.2602  536.648    198.021  533.288    267.594  540.716    294.411  29.583  8.1097  29.705  8.6348  -0.1225872     11.84600  
1 1 1 -10 94  8  o 29.266  6.9828  513.601    218.255  749.868    339.155  346.594    285.143  34.661  8.9664  24.765  8.6439  9.895338       12.45448  
1 1 1 -10 94  9  o 59.196  4.2127  1955.70    268.337  2100.36    384.150  1817.85    374.987  60.498  5.9392  56.060  6.2839  4.437588       8.646427  
1 1 1 -10 94  10 o 82.718  3.3525  3768.51    300.360  4209.95    430.981  3351.62    418.826  86.676  4.6074  77.051  5.0465  9.624626       6.833346  
1 1 1 -10 94  11 o 47.229  4.7488  1262.02    239.630  1497.24    361.019  1076.78    320.383  50.434  6.7808  42.423  7.2320  8.011112       9.913736  
1 1 1 -10 94  12 o 69.323  3.6650  2667.22    274.205  2914.43    394.228  2435.52    381.648  71.669  5.1121  65.286  5.4470  6.382713       7.470164  
1 1 1 -10 94  13 o 14.801  6.6539  -74.4112   222.983  143.501    367.704  -201.1573  280.431  22.004  9.2066  15.143  7.0464  6.861358       11.59363  
1 1 1 -10 94  14 o 18.807  7.7745  100.529    257.727  5.2526     431.238  153.469    321.451  21.451  9.4709  21.207  8.7156  0.2434063      12.87090  
1 1 1 -10 95  1  o 18.759  6.7642  176.133    175.824  108.160    243.072  250.727    254.635  18.805  7.6361  22.189  8.1189  -3.384401      11.14564  
1 1 1 -10 95  2  o 15.740  6.5473  46.995     184.438  119.475    266.636  -19.5027   255.396  19.639  7.9889  16.895  7.3788  2.744379       10.87513  
1 1 1 -10 95  3  o 27.301  6.8317  443.778    201.521  602.165    274.914  259.827    296.270  31.473  8.0365  23.080  8.6987  8.393425       11.84283  
1 1 1 -10 95  4  f 23.813  7.0669  333.928    195.439  156.798    283.724  493.864    269.602  20.746  8.3108  28.539  8.2536  -7.793226      11.71281  
1 1 1 -10 95  5  o 20.745  7.1772  232.786    196.375  327.360    287.356  149.918    268.985  24.407  8.6639  20.255  8.0998  4.151867       11.86044  
1 1 1 -10 95  6  o 41.300  4.5578  960.572    200.484  774.310    287.331  1137.29    279.872  35.826  7.6381  44.413  5.9693  -8.586296      9.693908  
1 1 1 -10 95  7  o 40.363  5.1398  928.003    219.600  1081.92    309.344  771.641    311.793  42.849  6.8997  35.455  8.2708  7.394157       10.77088  
1 1 1 -10 95  8  o 32.639  6.0096  623.465    204.622  748.000    287.545  495.703    291.248  35.069  7.7743  28.439  8.6697  6.630638       11.64485  
1 1 1 -10 95  9  o 61.472  4.1360  2107.93    273.779  2327.06    392.093  1899.43    382.450  63.768  5.7385  57.271  6.2678  6.496323       8.497949  
1 1 1 -10 95  10 o 48.719  4.4471  1334.95    232.077  1052.13    334.828  1596.46    321.963  41.689  7.6990  52.697  5.7334  -11.00859      9.599249  
1 1 1 -10 95  11 o 17.970  7.1863  116.479    211.732  -126.5779  324.016  297.616    279.715  17.345  7.8866  23.386  8.5165  -6.040918      11.60731  
1 1 1 -10 95  12 o 27.311  7.3853  455.122    223.710  542.128    340.326  388.923    296.858  29.385  9.4330  25.654  8.8273  3.731287       12.91911  
1 1 1 -10 95  13 o 23.357  8.0531  313.318    247.131  340.629    445.961  301.214    296.884  26.284  10.456  23.650  8.7478  2.633707       13.63264  
1 1 1 -10 96  1  o 69.062  3.4345  2623.98    256.904  2690.76    350.889  2546.81    377.168  69.320  4.7013  67.174  5.2251  2.146027       7.028745  
1 1 1 -10 96  2  o 54.734  3.9046  1663.57    229.953  1807.99    329.643  1526.68    320.937  56.424  5.4624  51.637  5.8411  4.786587       7.997223  
1 1 1 -10 96  3  o 19.450  7.0690  189.588    192.573  380.772    275.202  6.1582     269.564  25.548  8.5011  17.697  7.6559  7.850651       11.44034  
1 1 1 -10 96  4  o 39.975  5.0357  908.016    213.194  863.367    307.958  949.107    295.435  37.817  7.7782  40.029  7.0728  -2.212776      10.51313  
1 1 1 -10 96  5  o 23.226  7.2065  315.860    200.198  145.613    292.490  465.918    274.600  20.673  8.3828  27.714  8.4115  -7.040739      11.87537  
1 1 1 -10 96  6  f 46.680  4.4701  1223.71    223.240  760.898    344.242  1559.60    293.266  34.864  9.0404  52.420  5.2353  -17.55570      10.44691  
1 1 1 -10 96  7  o 16.913  6.8836  83.278     198.098  149.137    279.598  16.893     280.712  20.400  8.2225  18.136  7.8292  2.264013       11.35369  
1 1 1 -10 96  8  o 20.288  7.1172  221.387    193.428  432.474    270.405  0.1887     276.805  26.729  8.3888  17.741  7.7165  8.987602       11.39808  
1 1 1 -10 96  9  o 27.680  7.3749  465.758    225.081  599.886    310.424  317.074    326.834  30.944  8.8285  24.477  9.1537  6.467091       12.71737  
1 1 1 -10 96  10 o 22.505  7.7140  287.271    226.602  384.632    369.313  228.486    286.970  26.260  9.7481  22.023  8.4967  4.236450       12.93133  
1 1 1 -10 96  11 o 33.209  6.2578  651.842    216.826  747.324    314.078  564.900    299.704  34.595  8.4539  30.042  8.7061  4.552719       12.13526  
1 1 1 -10 96  12 o 18.303  7.4406  108.177    231.103  202.106    396.435  59.825     284.433  23.466  9.6655  18.825  7.9982  4.640730       12.54566  
1 1 1 -10 97  1  f 45.138  4.2805  1140.94    206.771  1020.64    287.835  1269.22    297.229  41.752  6.5831  46.931  5.9835  -5.179508      8.896000  
1 1 1 -10 97  2  o 64.911  3.4706  2326.52    243.120  2334.98    356.841  2319.20    332.135  64.288  5.1685  64.247  4.8078  0.4062653E-01  7.058933  
1 1 1 -10 97  3  o 25.150  6.8722  377.470    192.520  537.636    302.237  268.109    249.742  29.552  8.7923  22.439  8.0651  7.112606       11.93104  
1 1 1 -10 97  4  o 65.478  3.5379  2369.67    249.975  2245.29    349.041  2500.63    358.172  63.021  5.1587  66.610  5.0011  -3.588779      7.184915  
1 1 1 -10 97  5  f 25.334  7.1153  384.536    203.287  325.937    298.232  435.394    277.832  24.404  8.8081  26.876  8.5121  -2.471931      12.24902  
1 1 1 -10 97  6  o 35.609  5.4987  731.466    205.243  845.533    295.639  625.342    285.159  37.428  7.5532  31.849  8.2133  5.579239       11.15831  
1 1 1 -10 97  7  o 41.105  5.3172  967.530    231.180  1334.78    340.967  655.061    314.509  47.637  6.8016  32.371  8.7580  15.26614       11.08889  
1 1 1 -10 97  8  o 32.735  6.2062  631.881    211.992  552.143    302.794  708.543    296.898  29.763  8.7872  33.845  8.1882  -4.081680      12.01083  
1 1 1 -10 97  9  o 86.349  3.5410  4116.99    331.176  4184.04    474.070  4053.08    462.840  86.027  5.1108  84.695  5.0687  1.331863       7.198117  
1 1 1 -10 97  10 o 51.875  4.5566  1515.48    253.423  1843.50    379.723  1252.04    340.297  56.297  6.3377  45.894  7.0731  10.40258       9.497137  
1 1 1 -10 98  1  o 39.292  4.6048  872.188    192.248  965.880    280.619  789.322    263.910  40.543  6.6189  36.432  6.9416  4.111420       9.591446  
1 1 1 -10 98  2  o 14.919  6.2949  28.242     174.237  -37.4141   266.183  77.464     230.473  16.883  7.4482  17.760  7.3475  -0.8765621     10.46238  
1 1 1 -10 98  3  o 47.699  4.4489  1277.46    227.189  1330.34    336.877  1233.33    307.692  47.657  6.7124  46.046  6.3375  1.610920       9.231538  
1 1 1 -10 98  4  o 11.367  5.3177  -147.2599  163.192  87.286     240.830  -346.3935  221.906  18.231  7.5241  11.646  5.6482  6.585309       9.408235  
1 1 1 -10 98  5  o 71.659  3.5301  2832.61    273.984  2896.13    395.310  2773.90    380.083  71.572  5.1335  70.092  5.0402  1.480476       7.194241  
1 1 1 -10 98  6  o 69.490  3.4208  2661.67    257.469  2677.62    373.342  2647.20    355.542  68.833  5.0428  68.563  4.8183  0.2700577      6.974698  
1 1 1 -10 98  7  o 62.845  3.6827  2190.23    249.576  2054.16    342.825  2343.65    364.036  60.095  5.3221  64.240  5.2787  -4.145889      7.495923  
1 1 1 -10 98  8  o 13.874  6.2277  -68.3763   194.509  -366.1681  280.074  209.075    270.340  13.561  6.5191  21.356  8.2447  -7.794810      10.51066  
1 1 1 -10 98  9  o 19.300  7.9738  104.846    270.881  -112.8220  514.118  188.493    318.707  22.058  9.9922  21.879  8.7928  0.1792030      13.31004  
1 1 1 -10 99  1  o 53.097  8.9609  1739.57    496.992  0.0000     0.0000   1739.57    496.992  ?       ?       53.097  8.9609  0.000000       8.960912  
1 1 1 -10 99  2  o 61.413  5.2624  2140.51    346.656  0.0000     0.0000   2140.51    346.656  ?       ?       61.413  5.2624  0.000000       5.262389  
1 1 1 -10 99  3  o 67.733  4.0352  2553.40    294.685  2911.27    543.924  2404.72    350.597  70.324  7.2448  65.257  4.9984  5.067123       8.801757  
1 1 1 -10 99  4  o 55.482  4.1364  1718.52    246.783  2148.88    411.125  1476.10    308.555  60.923  6.3226  50.706  5.7182  10.21705       8.524828  
1 1 1 -10 99  5  o 29.807  7.3086  538.375    234.139  305.451    404.574  655.675    287.104  25.394  10.004  32.610  8.1510  -7.215656      12.90422  
1 1 1 -10 99  6  o 33.323  6.5565  658.708    228.214  567.534    428.297  694.858    269.688  30.327  10.593  33.825  7.5524  -3.497536      13.00988  
1 1 1 -10 99  7  o 28.166  7.5725  483.357    236.005  429.209    379.869  517.395    301.184  27.313  9.9281  28.918  8.8164  -1.605112      13.27768  
1 1 1 -10 99  8  o 26.229  7.6741  416.778    231.871  476.451    385.144  382.854    290.396  28.278  10.031  25.563  8.7327  2.715015       13.29979  
1 1 1 -10 100 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 100 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 100 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 100 4  o 52.330  6.9524  1610.81    384.302  0.0000     0.0000   1610.81    384.302  ?       ?       52.330  6.9524  0.000000       6.952389  
1 1 1 -10 100 5  o 19.580  7.9052  133.056    258.901  441.102    381.900  -128.9202  352.186  27.595  9.9662  18.176  8.2483  9.419046       12.93678  
1 1 1 -10 100 6  o 26.088  7.7371  411.132    234.320  711.839    348.995  164.304    316.187  33.549  9.2878  21.445  8.7088  12.10340       12.73214  
1 1 1 -10 101 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -10 101 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   2  o 563.575 18.852  173099.80  11478.20 173099.80  11478.20 173099.80  11478.20 563.575 18.852  563.575 18.852  0.000000       0.000000  
1 1 1 -9  0   3  o 83.014  3.5587  3752.97    318.640  3752.97    318.640  3752.97    318.640  83.014  3.5587  83.014  3.5587  0.000000       0.000000  
1 1 1 -9  0   4  o 249.359 6.4197  33751.59   1731.25  33751.59   1731.25  33751.59   1731.25  249.359 6.4197  249.359 6.4197  0.000000       0.000000  
1 1 1 -9  0   5  o 602.690 14.120  197335.41  9206.09  197335.41  9206.09  197335.41  9206.09  602.690 14.120  602.690 14.120  0.000000       0.000000  
1 1 1 -9  0   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   7  o 149.985 4.3806  12215.46   710.256  12215.46   710.256  12215.46   710.256  149.985 4.3806  149.985 4.3806  0.000000       0.000000  
1 1 1 -9  0   8  o 145.821 4.4044  11548.82   694.200  11548.82   694.200  11548.82   694.200  145.821 4.4044  145.821 4.4044  0.000000       0.000000  
1 1 1 -9  0   9  o 520.469 12.214  147137.91  6876.87  147137.91  6876.87  147137.91  6876.87  520.469 12.214  520.469 12.214  0.000000       0.000000  
1 1 1 -9  0   10 o 197.640 5.4769  21208.80   1170.37  21208.80   1170.37  21208.80   1170.37  197.640 5.4769  197.640 5.4769  0.000000       0.000000  
1 1 1 -9  0   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   12 o 258.701 6.5626  36335.13   1836.18  36335.13   1836.18  36335.13   1836.18  258.701 6.5626  258.701 6.5626  0.000000       0.000000  
1 1 1 -9  0   13 o 117.560 4.2390  7515.77    538.156  7515.77    538.156  7515.77    538.156  117.560 4.2390  117.560 4.2390  0.000000       0.000000  
1 1 1 -9  0   14 o 161.783 4.6569  14216.00   814.492  14216.00   814.492  14216.00   814.492  161.783 4.6569  161.783 4.6569  0.000000       0.000000  
1 1 1 -9  0   15 o 870.778 20.533  415659.41  19341.52 415659.41  19341.52 415659.41  19341.52 870.778 20.533  870.778 20.533  0.000000       0.000000  
1 1 1 -9  0   16 o 84.326  4.1768  3881.13    379.349  3881.13    379.349  3881.13    379.349  84.326  4.1768  84.326  4.1768  0.000000       0.000000  
1 1 1 -9  0   17 o 518.264 12.303  146454.20  6897.14  146454.20  6897.14  146454.20  6897.14  518.264 12.303  518.264 12.303  0.000000       0.000000  
1 1 1 -9  0   18 o 59.870  4.8601  1980.98    310.375  1980.98    310.375  1980.98    310.375  59.870  4.8601  59.870  4.8601  0.000000       0.000000  
1 1 1 -9  0   19 o 107.516 4.4434  6297.47    515.433  6297.47    515.433  6297.47    515.433  107.516 4.4434  107.516 4.4434  0.000000       0.000000  
1 1 1 -9  0   20 f 217.223 5.9452  25654.06   1396.39  25654.06   1396.39  25654.06   1396.39  217.223 5.9452  217.223 5.9452  0.000000       0.000000  
1 1 1 -9  0   21 o 135.696 4.6662  10019.35   683.971  10019.35   683.971  10019.35   683.971  135.696 4.6662  135.696 4.6662  0.000000       0.000000  
1 1 1 -9  0   22 o 12.356  8.1183  -47.9712   274.167  -47.9712   274.167  -47.9712   274.167  12.356  8.1183  12.356  8.1183  0.000000       0.000000  
1 1 1 -9  0   23 o 160.760 4.9753  14065.92   864.422  14065.92   864.422  14065.92   864.422  160.760 4.9753  160.760 4.9753  0.000000       0.000000  
1 1 1 -9  0   24 o 26.237  10.482  520.464    288.639  520.464    288.639  520.464    288.639  26.237  10.482  26.237  10.482  0.000000       0.000000  
1 1 1 -9  0   25 o 89.820  4.8364  4423.90    467.389  4423.90    467.389  4423.90    467.389  89.820  4.8364  89.820  4.8364  0.000000       0.000000  
1 1 1 -9  0   26 o 152.508 5.2600  12720.19   866.511  12720.19   866.511  12720.19   866.511  152.508 5.2600  152.508 5.2600  0.000000       0.000000  
1 1 1 -9  0   27 f 18.689  10.921  239.981    368.340  239.981    368.340  239.981    368.340  18.689  10.921  18.689  10.921  0.000000       0.000000  
1 1 1 -9  0   28 o 42.936  9.1163  1146.40    372.743  1146.40    372.743  1146.40    372.743  42.936  9.1163  42.936  9.1163  0.000000       0.000000  
1 1 1 -9  0   29 o 12.400  8.4200  -164.4833  340.925  -164.4833  340.925  -164.4833  340.925  12.400  8.4200  12.400  8.4200  0.000000       0.000000  
1 1 1 -9  0   30 o 13.646  9.0321  -58.4569   349.324  -58.4569   349.324  -58.4569   349.324  13.646  9.0321  13.646  9.0321  0.000000       0.000000  
1 1 1 -9  0   31 o 62.570  6.5434  2247.32    432.342  2247.32    432.342  2247.32    432.342  62.570  6.5434  62.570  6.5434  0.000000       0.000000  
1 1 1 -9  0   32 o 24.786  11.974  542.408    373.950  542.408    373.950  542.408    373.950  24.786  11.974  24.786  11.974  0.000000       0.000000  
1 1 1 -9  0   33 o 31.556  12.105  817.668    391.071  817.668    391.071  817.668    391.071  31.556  12.105  31.556  12.105  0.000000       0.000000  
1 1 1 -9  0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  1   2  o 255.235 4.5731  35291.84   1264.20  35251.20   1787.64  35332.50   1788.07  255.042 6.4714  255.337 6.4655  -0.2941132     9.147752  
1 1 1 -9  1   3  o 410.429 6.9372  91297.56   3083.87  91014.63   4361.31  91580.48   4361.18  409.630 9.8300  410.904 9.7993  -1.273376      13.88003  
1 1 1 -9  1   4  o 469.975 7.8557  119732.20  3998.81  120192.00  5655.12  119272.40  5655.21  470.650 11.094  468.843 11.137  1.807343       15.71916  
1 1 1 -9  1   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  1   6  o 828.375 19.305  373755.31  17321.00 384213.19  24495.35 363296.91  24495.83 837.596 27.001  814.214 27.777  23.38232       38.73766  
1 1 1 -9  1   7  o 142.227 3.1040  10956.40   478.165  11369.99   676.386  10543.19   676.070  144.876 4.3105  139.507 4.4743  5.368530       6.212879  
1 1 1 -9  1   8  o 705.240 11.568  269953.59  8836.56  267550.31  10203.60 277163.19  17673.04 701.821 13.423  712.266 22.909  -10.44470      26.55160  
1 1 1 -9  1   9  o 456.058 7.6410  112754.50  3774.32  110307.30  5337.34  115202.40  5338.06  450.835 10.930  460.751 10.697  -9.915741      15.29353  
1 1 1 -9  1   10 o 590.159 11.279  189087.00  7209.62  193647.30  8830.04  179967.09  12487.12 596.886 13.658  574.201 20.078  22.68488       24.28360  
1 1 1 -9  1   11 o 224.746 8.4203  27397.73   2049.70  0.0000     0.0000   27397.73   2049.70  ?       ?       224.746 8.4203  0.000000       8.420298  
1 1 1 -9  1   12 o 660.627 10.900  237118.50  7799.07  236884.91  11029.22 237352.20  11029.88 659.224 15.447  659.878 15.433  -0.6538696     21.83508  
1 1 1 -9  1   13 o 514.480 8.6035  143696.91  4794.18  142986.80  6779.98  144406.91  6780.02  512.567 12.213  515.119 12.152  -2.551514      17.22853  
1 1 1 -9  1   14 o 382.326 6.5838  79301.00   2726.33  80375.64   3855.78  78226.54   3855.45  384.575 9.2568  379.381 9.3827  5.194427       13.18045  
1 1 1 -9  1   15 o 302.676 5.3376  49684.05   1749.83  50519.34   2474.88  48849.09   2474.40  304.998 7.4918  299.899 7.6177  5.098541       10.68442  
1 1 1 -9  1   16 o 388.228 7.1978  81871.15   3026.59  79346.19   4677.28  83689.95   3969.72  381.343 11.324  392.109 9.3472  -10.76584      14.68361  
1 1 1 -9  1   17 o 184.797 3.7404  18511.69   748.669  19996.13   1059.38  17030.63   1058.17  191.986 5.0946  177.152 5.5150  14.83395       7.508003  
1 1 1 -9  1   18 f 240.118 4.5180  31273.64   1175.01  31638.45   1789.07  30996.92   1558.19  241.268 6.8463  238.907 6.0217  2.360596       9.117754  
1 1 1 -9  1   19 o 341.513 5.9900  63356.59   2215.66  62926.50   3133.50  63786.64   3133.32  339.819 8.5136  342.148 8.4552  -2.329102      11.99878  
1 1 1 -9  1   20 o 259.018 4.7088  36410.23   1321.03  35487.60   1868.10  37333.08   1868.33  255.428 6.7524  262.014 6.5835  -6.585663      9.430706  
1 1 1 -9  1   21 o 153.557 3.4963  12787.41   581.500  13786.79   802.820  11684.42   843.411  159.360 4.6512  146.653 5.3098  12.70731       7.058907  
1 1 1 -9  1   22 o 170.315 3.6588  15737.35   674.935  14839.85   948.152  16659.30   960.980  165.223 5.2983  175.087 5.0675  -9.864136      7.331511  
1 1 1 -9  1   23 o 126.554 3.2194  8689.05    441.291  9229.27    623.258  8145.97    624.903  130.325 4.4154  122.409 4.7134  7.916069       6.458442  
1 1 1 -9  1   24 o 80.868  3.3124  3550.95    290.129  3614.08    411.245  3488.39    409.369  81.343  4.6876  79.902  4.7517  1.441063       6.674758  
1 1 1 -9  1   25 o 103.480 3.6228  5824.70    406.042  5615.69    680.617  5940.20    505.937  100.982 6.2536  104.380 4.4751  -3.398888      7.689922  
1 1 1 -9  1   26 o 71.654  3.1109  2792.81    241.431  2726.29    291.347  2938.59    431.328  70.614  3.8236  72.960  5.4987  -2.345604      6.697398  
1 1 1 -9  1   27 o 151.577 3.7128  12540.44   609.551  12390.06   891.224  12672.62   835.539  149.974 5.4866  151.858 5.0799  -1.883652      7.477172  
1 1 1 -9  1   28 o 36.666  1.7335  729.628    68.842   741.511    70.133   415.642    360.497  36.962  1.7518  27.864  9.7196  9.097980       9.876177  
1 1 1 -9  1   29 o 83.934  3.7378  3861.78    339.797  3628.23    480.193  4096.03    480.900  80.605  5.5338  85.815  5.1985  -5.209373      7.592553  
1 1 1 -9  1   30 o 79.954  3.8792  3519.54    335.933  3726.17    476.379  3315.15    473.794  81.468  5.4299  76.661  5.7480  4.807625       7.907169  
1 1 1 -9  1   31 o 40.787  6.5256  972.055    278.561  944.474    406.612  996.449    382.393  38.660  9.7207  40.087  9.0246  -1.426941      13.26408  
1 1 1 -9  1   32 o 31.550  7.8377  614.736    266.630  679.214    378.384  551.144    375.773  32.413  9.8820  29.607  9.9347  2.805902       14.01257  
1 1 1 -9  1   33 f 30.312  8.1436  596.527    273.059  483.835    388.737  706.283    383.640  27.287  10.024  31.896  9.9891  -4.608814      14.15161  
1 1 1 -9  1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  2   1  o 591.305 13.895  189979.80  8898.98  0.0000     0.0000   189979.80  8898.98  ?       ?       591.305 13.895  0.000000       13.89499  
1 1 1 -9  2   2  o 547.943 18.294  163515.50  10857.04 0.0000     0.0000   163515.50  10857.04 ?       ?       547.943 18.294  0.000000       18.29387  
1 1 1 -9  2   3  o 624.424 14.631  211892.50  9895.02  207211.41  13993.72 216573.41  13993.61 616.359 20.962  630.227 20.500  -13.86786      29.32005  
1 1 1 -9  2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  2   5  o 385.276 6.5569  80439.73   2736.17  79275.17   3869.16  81604.73   3869.90  382.347 9.3430  387.931 9.2103  -5.584442      13.11954  
1 1 1 -9  2   6  o 167.527 3.4026  15201.62   617.400  16116.94   874.355  14291.38   871.921  172.484 4.6803  162.418 4.9565  10.06541       6.816992  
1 1 1 -9  2   7  o 197.422 3.8072  21112.08   814.082  21150.24   1151.07  21073.90   1151.51  197.577 5.3789  197.220 5.3907  0.3570862      7.615252  
1 1 1 -9  2   8  o 567.862 9.4509  174895.00  5812.83  174404.50  6712.07  176366.30  11625.67 566.922 10.931  568.974 18.865  -2.052307      21.80308  
1 1 1 -9  2   9  o 657.073 10.871  234308.41  7736.48  236727.91  8933.40  227050.41  15472.55 660.233 12.493  644.668 22.159  15.56525       25.43809  
1 1 1 -9  2   10 f 492.695 9.5053  131694.41  5072.39  133355.59  6212.08  128371.00  8786.48  495.580 11.573  485.539 16.708  10.04126       20.32463  
1 1 1 -9  2   11 o 77.438  4.2287  3258.48    353.335  3406.93    519.675  3130.85    481.848  79.046  6.1175  75.774  5.9180  3.271996       8.511576  
1 1 1 -9  2   12 o 234.466 4.3767  29787.07   1111.46  30059.10   1569.73  29513.57   1573.97  235.473 6.1548  233.324 6.2283  2.149475       8.756280  
1 1 1 -9  2   13 o 567.271 9.4222  174786.70  5789.12  170016.59  8186.37  179558.41  8187.73  558.599 13.531  574.153 13.166  -15.55389      18.87942  
1 1 1 -9  2   14 o 170.886 3.5958  15822.85   665.539  15763.42   941.486  15882.21   940.942  170.519 5.0977  171.161 5.0756  -0.6420441     7.193591  
1 1 1 -9  2   15 o 123.115 3.0751  8212.34    410.052  8707.86    580.539  7718.99    579.264  126.748 4.2288  119.327 4.4819  7.420135       6.162050  
1 1 1 -9  2   16 o 257.895 4.6868  36064.88   1309.15  36123.57   1851.58  36006.21   1851.26  257.938 6.6276  257.518 6.6373  0.4203491      9.379677  
1 1 1 -9  2   17 o 186.630 3.7608  18880.93   760.200  19331.97   1071.74  18424.23   1078.46  188.760 5.2422  184.264 5.4037  4.495743       7.528626  
1 1 1 -9  2   18 o 193.939 3.8641  20392.60   811.675  19846.14   1147.86  20939.11   1147.91  191.206 5.5426  196.412 5.3959  -5.206696      7.735446  
1 1 1 -9  2   19 o 79.354  3.2038  3413.19    275.360  3587.61    399.749  3255.70    379.849  81.192  4.5643  77.333  4.5551  3.858482       6.448371  
1 1 1 -9  2   20 o 61.952  2.5307  2079.77    169.810  1813.33    337.862  2169.82    196.422  57.522  5.4896  63.273  2.8661  -5.751041      6.192737  
1 1 1 -9  2   21 o 200.468 4.5928  21815.81   997.236  22390.40   1708.84  21519.08   1228.03  202.638 7.7860  198.972 5.6983  3.665649       9.648425  
1 1 1 -9  2   22 o 69.920  2.6247  2650.02    198.773  2556.76    489.221  2668.46    217.538  68.179  6.7120  70.157  2.8628  -1.977242      7.297001  
1 1 1 -9  2   23 o 385.331 6.6513  81030.50   2775.93  82068.44   5548.63  80683.98   3205.99  383.357 13.363  384.002 7.7083  -0.6451416     15.42707  
1 1 1 -9  2   24 o 192.191 4.2537  20091.09   885.459  19587.72   2030.79  20209.26   983.911  187.664 10.027  192.659 4.7152  -4.994873      11.08067  
1 1 1 -9  2   25 o 147.064 3.4443  11759.54   548.635  11347.95   1202.43  11867.75   616.553  143.098 7.7874  147.665 3.8550  -4.566223      8.689357  
1 1 1 -9  2   26 o 34.514  1.7448  647.668    65.013   653.013    67.158   567.991    259.305  34.653  1.7955  31.355  7.6933  3.298334       7.900032  
1 1 1 -9  2   27 o 161.644 3.7181  14261.81   650.945  14404.59   1460.74  14226.43   727.136  159.647 8.4781  161.283 4.1625  -1.635742      9.444865  
1 1 1 -9  2   28 o 143.680 3.6091  11285.39   561.656  11794.39   1152.79  11126.96   643.154  144.576 7.3865  142.445 4.1687  2.131104       8.481605  
1 1 1 -9  2   29 o 3.6243  1.8089  -77.1928   28.914   -79.7601   29.014   293.039    348.422  3.5917  1.7955  25.030  9.4333  -21.43808      9.602678  
1 1 1 -9  2   30 o 68.927  4.6393  2645.07    344.332  2799.02    558.287  2550.56    437.443  69.408  7.5481  67.023  6.0925  2.384674       9.700149  
1 1 1 -9  2   31 o 42.049  6.1981  1025.06    273.813  1444.37    390.799  620.720    383.757  49.339  7.5534  31.553  10.005  17.78545       12.53619  
1 1 1 -9  2   32 o 31.885  7.8166  627.536    267.865  231.215    379.642  1020.43    377.998  23.609  9.5584  40.229  8.9101  -16.61972      13.06725  
1 1 1 -9  2   33 o 64.805  4.5598  2397.15    318.018  2069.45    452.405  2717.26    447.133  57.880  7.3849  67.619  6.1732  -9.739243      9.625233  
1 1 1 -9  2   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   2  o 260.228 4.6760  36686.65   1317.96  36336.20   1863.85  37037.14   1863.91  258.934 6.6459  261.421 6.5829  -2.487366      9.354218  
1 1 1 -9  3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   4  o 476.375 7.8852  123015.00  4068.47  121078.40  5753.42  124952.00  5753.93  472.374 11.245  479.885 11.070  -7.511414      15.77995  
1 1 1 -9  3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   7  o 613.134 9.0850  203856.91  6033.25  205636.00  7788.83  201188.09  9539.52  615.539 11.683  608.490 14.474  7.048401       18.60102  
1 1 1 -9  3   8  o 349.750 6.0213  66285.76   2280.97  67555.66   2634.01  62478.01   4561.06  353.051 6.8883  339.219 12.414  13.83154       14.19710  
1 1 1 -9  3   9  o 559.691 9.3162  169908.09  5647.52  171315.00  6521.27  165687.80  11294.66 561.862 10.716  551.356 18.913  10.50574       21.73824  
1 1 1 -9  3   10 o 356.179 7.0858  68771.19   2733.57  67729.14   3347.34  70857.48   4736.34  353.379 8.7456  361.198 12.107  -7.819733      14.93515  
1 1 1 -9  3   11 o 214.992 5.7365  25049.98   1335.80  26228.28   1895.46  23887.34   1882.82  219.914 7.9578  209.859 8.2835  10.05582       11.48660  
1 1 1 -9  3   12 o 611.920 11.758  203557.50  7792.64  214137.09  13496.45 198266.70  9544.28  625.396 19.925  603.292 14.606  22.10425       24.70520  
1 1 1 -9  3   13 o 536.281 8.9184  156165.09  5180.22  152962.80  7326.39  159366.50  7325.48  530.016 12.762  541.056 12.500  -11.04053      17.86443  
1 1 1 -9  3   14 o 475.327 7.9584  122676.10  4097.22  122209.30  5794.42  123142.90  5794.27  473.797 11.291  475.613 11.248  -1.815796      15.93778  
1 1 1 -9  3   15 o 192.635 3.7979  20110.72   792.410  20394.09   1121.30  19828.03   1119.98  193.919 5.3386  191.205 5.4081  2.713791       7.599226  
1 1 1 -9  3   16 o 258.420 4.6895  36212.12   1312.57  34619.35   1853.96  37812.80   1858.56  252.495 6.7792  263.912 6.5020  -11.41730      9.393267  
1 1 1 -9  3   17 o 467.680 7.9374  118961.90  4020.66  119094.20  5686.21  118829.60  5685.94  466.931 11.243  466.408 11.256  0.5232544      15.90920  
1 1 1 -9  3   18 o 235.097 4.3958  29976.84   1119.33  30030.28   1580.73  29923.10   1585.23  235.131 6.2069  234.708 6.2358  0.4232483      8.798385  
1 1 1 -9  3   19 o 251.904 4.5494  34425.77   1241.24  33504.46   2476.34  34734.91   1434.45  247.824 9.2256  252.959 5.2356  -5.135132      10.60773  
1 1 1 -9  3   20 o 186.948 3.7575  18952.80   760.838  19077.68   1508.77  18910.22   881.067  187.192 7.4416  186.694 4.3572  0.4974060      8.623361  
1 1 1 -9  3   21 o 289.156 5.3810  45429.35   1685.26  44144.10   3138.68  45949.98   1997.63  283.826 10.210  290.622 6.3462  -6.795746      12.02157  
1 1 1 -9  3   22 o 70.805  2.6491  2717.59    203.156  3208.67    495.811  2618.51    222.710  76.551  6.0287  69.494  2.9588  7.056419       6.715684  
1 1 1 -9  3   23 o 195.916 4.0253  20845.39   854.150  18945.07   2070.64  21235.05   937.642  185.026 10.374  197.687 4.3791  -12.66066      11.26060  
1 1 1 -9  3   24 o 96.024  3.1212  5005.29    324.615  5620.00    627.554  4780.73    379.302  101.306 5.7430  93.798  3.7336  7.508339       6.849897  
1 1 1 -9  3   25 o 130.662 3.2233  9278.33    456.171  9384.39    889.882  9240.52    531.287  130.766 6.2830  130.313 3.7642  0.4528656      7.324318  
1 1 1 -9  3   26 o 47.620  4.7202  1252.41    240.246  1539.57    473.274  1152.73    278.845  51.774  8.7517  45.436  5.7985  6.338371       10.49831  
1 1 1 -9  3   27 o 86.580  3.3838  4086.15    317.321  4184.99    623.517  4051.61    368.629  86.562  6.7027  86.111  3.9524  0.4505692      7.781247  
1 1 1 -9  3   28 o 72.331  2.7141  2848.44    212.629  3079.59    280.389  2535.61    326.185  75.086  3.4477  67.795  4.4672  7.290611       5.642929  
1 1 1 -9  3   29 o 48.651  2.2661  1287.59    119.408  1296.27    131.755  1247.68    282.522  48.727  2.5049  47.034  5.6595  1.693741       6.189096  
1 1 1 -9  3   30 o 48.112  4.8100  1297.39    247.289  974.261    485.239  1410.75    287.412  39.179  10.989  49.978  5.3951  -10.79924      12.24223  
1 1 1 -9  3   31 o 34.993  1.5745  665.383    59.676   297.283    453.084  671.881    60.200   26.158  10.494  35.163  1.5806  -9.005075      10.61240  
1 1 1 -9  3   32 o 53.691  5.7567  1662.40    329.544  1412.22    508.102  1844.05    432.957  46.436  10.365  55.545  7.3793  -9.108265      12.72351  
1 1 1 -9  3   33 o 46.491  2.2283  1184.45    112.203  1193.28    116.854  1080.03    401.731  46.643  2.3131  39.999  9.4271  6.643478       9.706714  
1 1 1 -9  3   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  4   1  o 565.396 10.526  173443.00  6446.02  163257.30  11164.72 178536.00  7894.77  547.421 18.830  573.392 12.712  -25.97125      22.71951  
1 1 1 -9  4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  4   3  o 336.876 5.8076  61491.65   2119.05  60007.04   2996.55  62976.71   2997.01  332.689 8.3160  340.831 8.1186  -8.141693      11.62181  
1 1 1 -9  4   4  o 511.592 8.5089  141897.41  4714.87  136169.50  6667.37  147626.80  6668.30  500.856 12.291  521.549 11.805  -20.69269      17.04130  
1 1 1 -9  4   5  o 552.446 9.1589  165491.80  5480.29  161049.70  7749.97  169934.70  7750.64  544.612 13.138  559.471 12.791  -14.85974      18.33620  
1 1 1 -9  4   6  o 652.292 12.442  230974.50  8790.59  229142.91  10766.12 234637.80  15226.04 649.302 15.309  655.903 21.433  -6.601440      26.33861  
1 1 1 -9  4   7  o 348.590 5.9782  65844.59   2257.12  65348.26   2606.38  67333.25   4513.86  347.240 6.9301  352.214 11.832  -4.974579      13.71241  
1 1 1 -9  4   8  f 385.180 6.5818  80405.18   2745.86  78747.59   3170.57  85379.02   5492.17  381.138 7.6804  396.512 12.788  -15.37427      14.91752  
1 1 1 -9  4   9  o 791.525 13.033  340329.19  11173.00 342667.50  12901.61 333314.91  22345.25 793.844 15.005  779.612 26.463  14.23236       30.42096  
1 1 1 -9  4   10 o 475.185 9.2148  122488.80  4742.64  119831.40  5808.06  127806.10  8215.80  469.792 11.414  484.623 15.652  -14.83139      19.37218  
1 1 1 -9  4   11 o 126.669 4.1875  8692.64    574.501  11659.84   827.385  5930.19    798.328  146.687 5.2077  104.343 7.1063  42.34454       8.810204  
1 1 1 -9  4   12 o 291.516 5.9692  46067.49   1884.74  46989.64   3261.91  45605.33   2309.23  294.136 10.239  289.975 7.3525  4.160400       12.60534  
1 1 1 -9  4   13 o 341.771 5.9283  63332.33   2194.49  64089.43   3105.00  62576.72   3101.94  343.608 8.3431  339.520 8.4353  4.088165       11.86429  
1 1 1 -9  4   14 o 243.275 4.4554  32076.94   1173.96  32540.56   1660.74  31613.89   1659.72  244.928 6.2602  241.410 6.3476  3.518158       8.915298  
1 1 1 -9  4   15 o 348.863 5.9711  66029.41   2256.21  66675.57   3191.14  65383.55   3190.39  350.254 8.4119  346.832 8.4929  3.422150       11.95360  
1 1 1 -9  4   16 o 393.911 6.6979  84253.05   2857.64  83859.55   4042.59  84646.08   4040.04  392.464 9.5102  394.311 9.4597  -1.847260      13.41381  
1 1 1 -9  4   17 o 137.202 3.6240  10203.63   538.538  10588.31   920.284  10003.29   664.125  139.650 6.0843  135.815 4.5147  3.835297       7.576375  
1 1 1 -9  4   18 o 203.605 3.9598  22477.32   873.237  21949.50   1741.58  22654.59   1009.28  200.822 8.0068  204.365 4.5597  -3.543152      9.214119  
1 1 1 -9  4   19 o 243.414 4.5051  32143.37   1187.74  34178.66   2372.23  31462.45   1372.11  250.396 8.7470  240.745 5.2621  9.650650       10.20786  
1 1 1 -9  4   20 o 127.206 3.0963  8771.17    426.599  8268.03    843.250  8944.23    494.554  123.160 6.3430  128.436 3.5551  -5.275917      7.271351  
1 1 1 -9  4   21 o 148.758 3.6460  12002.13   587.437  12890.51   1256.91  11753.84   664.474  153.782 7.5462  147.177 4.1684  6.605423       8.620917  
1 1 1 -9  4   22 o 24.908  6.7504  349.201    186.656  552.356    361.202  275.184    218.023  31.672  9.6547  22.975  7.5628  8.697149       12.26417  
1 1 1 -9  4   23 o 166.566 3.5050  15057.50   632.340  15624.94   1257.34  14865.38   731.593  169.159 6.8626  165.436 4.0829  3.722641       7.985294  
1 1 1 -9  4   24 o 42.231  4.3982  980.749    198.221  1073.45    345.073  935.096    242.161  43.613  7.5803  41.027  5.5956  2.585789       9.421824  
1 1 1 -9  4   25 o 96.413  2.8577  5048.00    298.413  5705.36    603.842  4835.58    343.258  101.976 5.4873  94.313  3.3603  7.662880       6.434451  
1 1 1 -9  4   26 o 65.325  3.8201  2334.36    269.106  2387.23    531.721  2316.16    312.017  65.095  7.6901  64.950  4.4624  0.1452179      8.891074  
1 1 1 -9  4   27 o 37.814  5.7867  806.274    229.465  544.656    457.109  894.411    265.317  31.702  10.951  39.714  6.3844  -8.012171      12.67630  
1 1 1 -9  4   28 o 37.533  5.8351  798.778    229.503  772.644    453.284  807.786    266.136  35.907  10.787  37.466  6.8092  -1.558945      12.75606  
1 1 1 -9  4   29 o 57.688  2.5894  1812.90    161.794  1777.81    191.664  1899.92    301.798  56.969  3.1180  58.453  4.8096  -1.483444      5.731915  
1 1 1 -9  4   30 o 56.909  4.2608  1798.61    260.725  1509.39    510.347  1900.75    303.292  49.531  9.8596  58.303  4.8468  -8.771561      10.98649  
1 1 1 -9  4   31 o 34.605  1.5076  650.500    56.506   291.566    449.730  656.257    56.957   26.020  10.449  34.757  1.5130  -8.736950      10.55823  
1 1 1 -9  4   32 o 22.935  7.7792  303.433    230.423  235.031    445.671  328.389    269.195  24.709  10.220  23.949  8.3965  0.7597561      13.22649  
1 1 1 -9  4   33 o 33.232  1.2867  600.456    46.313   616.458    47.318   235.621    225.937  33.671  1.2975  20.662  7.6336  13.00920       7.743041  
1 1 1 -9  4   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   1  f 911.149 30.222  456417.00  29825.57 456417.00  29825.57 0.0000     0.0000   911.149 30.222  ?       ?       0.000000       30.22240  
1 1 1 -9  5   2  o 272.629 4.8424  40267.24   1429.90  39934.26   2022.12  40600.27   2022.24  271.447 6.8778  273.702 6.8216  -2.255890      9.687032  
1 1 1 -9  5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   6  o 860.557 28.504  406104.69  26568.06 406104.69  26568.06 0.0000     0.0000   860.557 28.504  ?       ?       0.000000       28.50428  
1 1 1 -9  5   7  o 354.636 6.0321  68148.98   2316.97  67484.04   2675.45  70143.55   4633.71  352.865 7.0003  359.483 11.901  -6.618103      13.80709  
1 1 1 -9  5   8  o 471.871 7.9283  120711.80  4052.06  121691.20  4679.00  117774.10  8103.70  473.700 9.1197  465.325 16.079  8.375854       18.48514  
1 1 1 -9  5   9  o 535.779 8.7947  155675.59  5103.61  157184.20  5893.44  151151.70  10205.66 538.248 10.109  526.780 17.887  11.46735       20.54620  
1 1 1 -9  5   10 o 604.530 11.499  198435.09  7529.03  188762.41  9220.42  217789.70  13042.72 589.164 14.449  631.878 19.057  -42.71362      23.91582  
1 1 1 -9  5   11 o 516.693 12.192  145073.70  6823.29  147407.59  9651.87  142741.91  9647.30  519.970 17.138  511.620 17.410  8.350037       24.42968  
1 1 1 -9  5   12 o 225.790 4.8552  27627.29   1187.36  26483.51   2052.81  28202.34   1455.55  220.911 8.5795  228.092 5.8918  -7.180695      10.40769  
1 1 1 -9  5   13 o 423.607 7.1828  97348.34   3295.55  96221.13   4660.80  98475.39   4660.44  420.769 10.227  425.687 10.108  -4.917786      14.37926  
1 1 1 -9  5   14 o 325.314 5.5482  57385.76   1954.92  58762.68   2765.21  56009.93   2764.12  328.991 7.7602  321.173 7.9460  7.817810       11.10675  
1 1 1 -9  5   15 o 230.776 4.3432  28869.66   1085.59  29097.86   1535.89  28641.83   1534.64  231.576 6.1234  229.751 6.1671  1.824982       8.690752  
1 1 1 -9  5   16 o 220.922 4.1782  26458.70   999.769  27247.46   1996.31  26194.64   1155.06  223.857 8.2335  219.777 4.8523  4.079941       9.556985  
1 1 1 -9  5   17 o 195.844 3.7990  20791.86   805.846  19959.11   1606.77  21071.71   931.464  191.581 7.7434  197.126 4.3627  -5.544998      8.887789  
1 1 1 -9  5   18 o 379.138 6.4733  78100.29   2658.23  76587.78   5312.25  78605.52   3070.27  373.560 13.130  380.161 7.4566  -6.600586      15.09914  
1 1 1 -9  5   19 o 239.514 4.3887  31119.05   1138.52  33021.14   2273.68  30482.52   1315.30  246.157 8.5280  236.980 5.1244  9.176773       9.949183  
1 1 1 -9  5   20 o 424.530 7.1924  98091.35   3307.13  98139.78   6612.10  98075.20   3819.16  421.431 14.486  424.139 8.3136  -2.708435      16.70195  
1 1 1 -9  5   21 o 193.114 3.8094  20229.77   796.791  21094.09   1588.23  19939.07   921.091  196.734 7.4536  191.665 4.4370  5.069138       8.674278  
1 1 1 -9  5   22 o 204.086 4.0092  22606.13   886.227  22646.11   1767.29  22592.71   1024.33  203.595 8.0144  203.949 4.6371  -0.3548584     9.259234  
1 1 1 -9  5   23 o 133.085 3.2865  9610.07    473.731  9620.48    917.131  9606.28    553.252  132.806 6.3759  133.012 3.8403  -0.2055359     7.443119  
1 1 1 -9  5   24 o 147.504 3.3522  11815.39   535.547  11827.36   1052.68  11811.21   622.067  146.993 6.6119  147.406 3.8963  -0.4133301     7.674535  
1 1 1 -9  5   25 o 53.182  3.6090  1545.52    206.655  1481.89    375.223  1573.22    247.589  51.454  6.9073  53.559  4.3044  -2.104412      8.138703  
1 1 1 -9  5   26 o 92.950  3.3194  4702.83    334.184  4965.41    660.376  4612.44    387.457  94.626  6.4824  91.965  3.8898  2.660194       7.559941  
1 1 1 -9  5   27 o 134.955 3.3730  9927.94    493.036  10273.20   977.807  9810.23    570.927  136.016 6.6373  133.996 3.9339  2.019760       7.715534  
1 1 1 -9  5   28 o 104.309 3.3036  5939.27    373.229  5344.52    734.649  6146.18    433.315  97.382  7.0121  105.982 3.7749  -8.600021      7.963617  
1 1 1 -9  5   29 o 116.121 3.2689  7371.40    411.134  7674.40    763.104  7247.48    488.019  117.027 6.0410  114.905 3.9213  2.121750       7.202134  
1 1 1 -9  5   30 o 58.637  4.1630  1906.88    262.674  2019.37    514.590  1867.24    305.468  58.375  8.3791  57.750  4.9309  0.6258163      9.722280  
1 1 1 -9  5   31 o 41.237  1.9651  925.744    87.771   293.071    466.202  948.993    89.369   26.283  10.609  41.750  1.9763  -15.46790      10.79168  
1 1 1 -9  5   32 o 41.313  2.5148  937.445    111.994  1332.55    484.712  915.163    115.109  45.205  10.148  40.793  2.6191  4.412045       10.48100  
1 1 1 -9  5   33 o ?       ?       -256.6102  29.540   -261.7175  29.738   122.440    256.195  ?       ?       18.767  7.7541  0.000000       7.754089  
1 1 1 -9  5   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   3  o 160.420 3.3302  13939.05   578.629  13082.04   817.990  14797.38   818.620  155.395 4.8601  165.273 4.5731  -9.877625      6.673338  
1 1 1 -9  6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   5  o 606.147 10.036  199279.09  6589.11  198564.09  9318.02  199994.20  9318.79  604.591 14.230  606.771 14.180  -2.179749      20.08838  
1 1 1 -9  6   6  o 277.401 4.9170  41688.84   1477.34  40757.87   1705.80  44482.89   2955.14  274.267 5.7423  286.398 9.5266  -12.13077      11.12340  
1 1 1 -9  6   7  o 669.930 10.960  243523.70  7952.65  246604.91  9182.96  234280.20  15905.14 673.947 12.580  655.074 22.417  18.87311       25.70568  
1 1 1 -9  6   8  o 131.850 3.0111  9416.08    430.004  9978.71    497.977  7766.82    852.596  135.730 3.3874  119.530 6.6113  16.19936       7.428563  
1 1 1 -9  6   9  o 324.854 5.6180  57183.05   1976.69  58505.65   2283.05  53222.98   3950.50  328.561 6.4155  313.107 11.649  15.45410       13.29881  
1 1 1 -9  6   10 o 316.564 6.3382  54314.00   2173.20  53232.81   2660.20  56483.29   3768.09  313.330 7.8387  322.577 10.785  -9.247192      13.33263  
1 1 1 -9  6   11 o 239.931 6.3419  31204.55   1648.08  27966.54   2334.87  34419.75   2326.63  227.010 9.4962  251.893 8.5279  -24.88376      12.76328  
1 1 1 -9  6   12 o 507.032 9.8059  139604.09  5385.10  138467.20  9325.99  140172.70  6595.82  503.562 17.099  507.720 11.994  -4.157532      20.88637  
1 1 1 -9  6   13 o 102.440 2.9005  5684.72    321.820  6175.06    469.275  5249.37    442.176  106.752 4.0586  98.425  4.1478  8.327538       5.803181  
1 1 1 -9  6   14 o 308.921 5.4741  51746.93   1831.59  48836.12   2590.27  54657.72   2590.26  299.893 7.9746  317.310 7.5368  -17.41705      10.97259  
1 1 1 -9  6   15 o 147.138 3.3076  11731.07   527.120  11947.60   1042.77  11656.75   610.923  148.371 6.4889  146.657 3.8460  1.713943       7.543037  
1 1 1 -9  6   16 o 200.747 4.0915  21845.98   889.605  19740.22   2212.22  22252.19   971.628  189.962 10.797  202.587 4.4281  -12.62555      11.66944  
1 1 1 -9  6   17 o 204.406 3.9763  22651.87   880.325  24076.89   1752.91  22171.23   1018.02  210.422 7.6913  202.185 4.6487  8.236389       8.987010  
1 1 1 -9  6   18 o 73.776  3.0457  2949.75    243.370  2511.54    474.417  3106.25    283.518  67.673  6.5547  75.700  3.4579  -8.026794      7.410872  
1 1 1 -9  6   19 f 265.274 4.7857  38184.99   1375.03  37556.05   2746.57  38395.35   1588.43  262.279 9.6684  265.917 5.5151  -3.638092      11.13081  
1 1 1 -9  6   20 o 111.929 3.0281  6790.63    367.099  6908.32    725.864  6750.19    425.531  112.592 5.9736  111.577 3.5212  1.015030       6.934115  
1 1 1 -9  6   21 o 193.476 3.8185  20306.09   800.177  19861.55   1594.70  20455.68   925.061  190.853 7.7146  194.134 4.3994  -3.281342      8.880857  
1 1 1 -9  6   22 o 53.035  1.8973  1523.98    108.986  1513.59    163.318  1532.33    146.335  52.759  2.8688  53.169  2.5411  -0.4105301     3.832383  
1 1 1 -9  6   23 o 165.827 3.6695  14927.78   659.067  14541.87   1521.37  15016.93   731.245  162.555 8.6723  166.277 4.0603  -3.721603      9.575768  
1 1 1 -9  6   24 o 66.893  2.6210  2427.37    189.892  2085.20    255.370  2850.58    284.003  61.821  3.8327  72.434  3.6200  -10.61232      5.272043  
1 1 1 -9  6   25 o 118.258 3.0924  7598.69    396.090  6608.11    757.026  7972.10    464.786  109.507 6.4106  121.066 3.5445  -11.55946      7.325259  
1 1 1 -9  6   26 o 86.380  3.3620  4062.14    314.547  4177.04    621.827  4022.62    364.640  86.686  6.6742  85.878  3.9202  0.8083038      7.740392  
1 1 1 -9  6   27 o 51.332  4.4567  1453.86    245.327  1836.46    486.335  1323.27    284.126  56.640  8.1633  48.720  5.4795  7.920712       9.831783  
1 1 1 -9  6   28 o 118.537 3.2967  7670.02    423.253  7691.14    835.267  7662.73    490.953  117.139 6.6105  118.316 3.8311  -1.177025      7.640389  
1 1 1 -9  6   29 f 62.941  3.9970  2184.28    271.069  2376.43    528.901  2115.83    315.682  64.152  7.7704  61.714  4.7595  2.437832       9.112185  
1 1 1 -9  6   30 o 34.478  1.3752  645.102    51.355   249.808    440.345  650.552    51.708   25.573  10.315  34.623  1.3789  -9.049858      10.40671  
1 1 1 -9  6   31 o 45.382  2.5735  1128.92    125.975  1402.30    490.151  1109.58    130.353  47.182  9.9068  44.966  2.6888  2.216240       10.26526  
1 1 1 -9  6   32 o 17.295  3.2246  169.895    58.184   633.470    458.116  162.295    58.659   31.360  10.956  16.874  3.3278  14.48578       11.45006  
1 1 1 -9  6   33 o 6.4823  2.6843  6.4952     30.800   231.705    440.233  5.3874     30.876   23.621  9.9886  6.4304  2.6772  17.19057       10.34112  
1 1 1 -9  6   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   1  o 283.264 4.9798  43470.87   1527.84  42526.32   2160.44  44415.85   2160.93  280.111 7.1210  286.272 6.9694  -6.160278      9.963975  
1 1 1 -9  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   4  o 378.815 6.4287  77762.16   2637.67  77138.06   3729.67  78386.64   3730.79  377.170 9.1298  380.214 9.0595  -3.043976      12.86187  
1 1 1 -9  7   5  o 412.072 6.9231  92024.65   3089.90  86117.95   4368.98  97935.72   4370.59  398.462 10.123  424.964 9.4955  -26.50128      13.87969  
1 1 1 -9  7   6  o 485.724 8.0691  127896.70  4245.05  123249.70  4901.46  141844.80  8491.70  476.725 9.4926  510.846 15.347  -34.12146      18.04583  
1 1 1 -9  7   7  o 308.003 5.4053  51399.02   1803.20  50566.85   2082.07  53896.39   3606.86  305.473 6.2929  315.185 10.566  -9.712280      12.29766  
1 1 1 -9  7   8  o 110.579 2.7781  6622.81    332.733  6519.55    386.601  6917.84    653.468  109.711 3.2534  112.995 5.3394  -3.284203      6.252553  
1 1 1 -9  7   9  o 512.387 8.5485  142370.09  4744.16  143562.09  5478.31  138795.09  9487.14  514.416 9.8325  504.858 17.350  9.558319       19.94231  
1 1 1 -9  7   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   11 o 558.215 13.155  169438.09  7953.34  169733.80  11249.61 169142.59  11245.85 557.565 18.628  556.586 18.655  0.9783936      26.36306  
1 1 1 -9  7   12 o 492.714 11.731  131992.30  6260.51  0.0000     0.0000   131992.30  6260.51  ?       ?       492.714 11.731  0.000000       11.73126  
1 1 1 -9  7   13 o 475.116 7.9620  122516.70  4097.24  122088.00  5794.12  122945.60  5794.63  473.757 11.292  475.426 11.253  -1.668182      15.94166  
1 1 1 -9  7   14 f 265.209 4.7857  38127.85   1374.69  37919.71   2746.81  38197.40   1587.85  264.094 9.6029  265.408 5.5236  -1.314209      11.07816  
1 1 1 -9  7   15 o 447.216 7.5491  108633.00  3656.66  109257.40  7311.99  108424.80  4222.60  446.515 15.119  446.565 8.7302  -0.4913330E-01 17.45873  
1 1 1 -9  7   16 o 182.303 3.6277  18012.32   716.293  17233.44   1428.09  18274.14   827.974  178.095 7.4034  183.600 4.1636  -5.504547      8.493932  
1 1 1 -9  7   17 o 237.384 4.3722  30557.66   1124.15  30668.38   2245.20  30520.61   1298.65  237.341 8.7340  237.186 5.0551  0.1549225      10.09140  
1 1 1 -9  7   18 o 196.460 3.7918  20925.68   806.854  20163.12   1603.99  21184.01   933.568  192.510 7.6927  197.633 4.3613  -5.123047      8.842961  
1 1 1 -9  7   19 o 96.065  2.7889  5001.06    290.177  5239.07    574.552  4919.56    336.207  98.082  5.4295  95.267  3.2583  2.815338       6.332185  
1 1 1 -9  7   20 o 136.382 3.2452  10083.28   479.362  10717.29   952.154  9868.02    554.802  140.408 6.2610  134.893 3.7973  5.514801       7.322593  
1 1 1 -9  7   21 o 148.610 3.4150  11976.37   549.686  12716.35   1060.10  11704.26   642.859  152.873 6.4025  146.873 4.0411  6.000488       7.571151  
1 1 1 -9  7   22 o 218.433 4.1667  25901.79   985.784  25013.08   1960.24  26202.62   1140.49  213.847 8.4632  219.612 4.7947  -5.765366      9.727062  
1 1 1 -9  7   23 o 47.987  4.0798  1259.79    210.037  1611.74    370.792  1093.50    254.871  53.973  6.4719  44.497  5.3989  9.475693       8.428114  
1 1 1 -9  7   24 o 95.752  3.0295  4976.68    314.189  4810.96    600.344  5039.19    368.715  93.654  5.9493  96.312  3.5346  -2.658234      6.920076  
1 1 1 -9  7   25 o 95.526  2.8509  4955.88    294.964  4907.89    596.354  4971.42    339.384  94.457  5.8580  95.633  3.2765  -1.175377      6.712032  
1 1 1 -9  7   26 o 30.901  1.3240  517.533    44.313   280.659    63.345   744.548    62.012   22.576  2.6405  37.058  1.5450  -14.48233      3.059253  
1 1 1 -9  7   27 o 58.707  4.0391  1892.82    255.270  1723.23    502.628  1951.77    296.331  54.598  8.7986  59.490  4.6356  -4.891346      9.945083  
1 1 1 -9  7   28 o 59.884  4.0037  1973.45    258.185  1992.22    507.613  1966.90    299.870  58.734  8.2033  59.611  4.6821  -0.8769875     9.445451  
1 1 1 -9  7   29 o 85.654  3.4596  4015.80    320.958  4247.75    631.320  3934.95    372.718  86.562  6.7881  84.616  4.0668  1.945541       7.913122  
1 1 1 -9  7   30 o 126.189 3.3384  8731.18    456.275  8634.17    892.549  8765.51    530.886  123.034 6.7233  126.162 3.8851  -3.127502      7.765121  
1 1 1 -9  7   31 o 38.781  2.5318  825.008    105.763  973.838    474.454  817.226    108.493  38.683  10.872  38.581  2.6117  0.1016083      11.18154  
1 1 1 -9  7   32 o 17.221  7.1485  72.665     219.194  318.880    433.869  -11.7142   253.991  25.748  10.290  16.779  7.3426  8.969122       12.64150  
1 1 1 -9  7   33 o 53.865  4.5568  1661.42    263.357  1838.51    522.782  1601.19    304.866  52.290  9.5838  52.264  5.4665  0.2566147E-01  11.03323  
1 1 1 -9  7   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   1  o 501.976 8.2075  136606.50  4462.37  132152.30  6310.43  141061.59  6311.06  493.441 11.807  509.839 11.429  -16.39755      16.43262  
1 1 1 -9  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   5  o 440.964 7.3616  105391.60  3515.97  102975.30  4059.49  112646.50  7034.03  435.814 8.6000  455.370 14.262  -19.55606      16.65398  
1 1 1 -9  8   6  o 688.824 11.388  257477.09  8496.08  258717.00  9810.26  253757.20  16993.05 690.251 13.122  681.701 23.015  8.550476       26.49285  
1 1 1 -9  8   7  o 603.409 10.0000 197502.41  6535.67  197178.30  7546.67  198475.00  13071.70 602.748 11.560  603.418 20.001  -0.6701050     23.10092  
1 1 1 -9  8   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   9  o 1030.51 19.413  579117.62  21667.44 565011.19  26536.76 607332.31  37530.02 1015.97 24.116  1048.44 33.050  -32.46570      40.91257  
1 1 1 -9  8   10 o 524.327 12.414  149352.41  7049.81  149352.41  7049.81  0.0000     0.0000   524.327 12.414  ?       ?       0.000000       12.41381  
1 1 1 -9  8   11 o 395.273 7.7600  84734.59   3322.21  83031.60   4068.17  88144.03   5756.18  391.132 9.6030  402.599 13.201  -11.46722      16.32396  
1 1 1 -9  8   12 o 534.279 10.312  155068.00  5967.47  156938.70  10334.97 154132.30  7308.98  535.851 17.807  532.243 12.679  3.607788       21.85969  
1 1 1 -9  8   13 o 163.722 3.3987  14522.16   602.678  13915.19   1200.56  14726.64   696.843  160.162 6.9208  164.860 3.9026  -4.698349      7.945255  
1 1 1 -9  8   14 o 573.046 9.5493  178538.50  5926.93  177572.80  11852.81 178860.41  6844.04  568.075 19.264  573.188 11.024  -5.113037      22.19532  
1 1 1 -9  8   15 o 293.479 5.2131  46710.43   1657.09  47019.12   3312.06  46607.36   1913.85  293.823 10.407  293.085 6.0290  0.7383423      12.02758  
1 1 1 -9  8   16 o 224.775 4.2225  27390.69   1027.99  25726.35   2048.92  27950.59   1188.40  217.460 8.6991  227.023 4.8331  -9.562912      9.951528  
1 1 1 -9  8   17 o 274.750 4.9052  40949.41   1459.71  43659.96   2917.84  40044.59   1685.83  283.040 9.5179  271.615 5.7305  11.42566       11.10990  
1 1 1 -9  8   18 o 252.667 4.6008  34630.43   1259.07  34965.81   2515.32  34518.30   1454.39  253.263 9.1696  252.186 5.3246  1.076538       10.60348  
1 1 1 -9  8   19 o 110.417 3.0568  6608.00    365.577  6504.48    713.138  6644.90    425.778  109.253 6.0502  110.709 3.5508  -1.456276      7.015174  
1 1 1 -9  8   20 o 248.785 4.6158  33589.19   1243.77  34804.84   2480.62  33180.95   1437.51  252.492 9.0707  247.178 5.3695  5.314713       10.54086  
1 1 1 -9  8   21 o 262.467 4.7441  37404.87   1348.66  38028.45   2692.05  37195.93   1558.32  263.632 9.4279  261.616 5.4995  2.015961       10.91467  
1 1 1 -9  8   22 o 149.157 3.3464  12067.38   540.625  11518.37   1052.49  12264.15   630.104  145.383 6.6840  150.328 3.8699  -4.945587      7.723446  
1 1 1 -9  8   23 o 99.991  3.0492  5423.70    330.232  5124.83    630.742  5536.57    387.602  96.772  6.0481  100.996 3.5433  -4.224174      7.009593  
1 1 1 -9  8   24 o 89.600  2.8232  4356.44    273.979  4265.48    566.174  4384.25    313.078  88.155  5.9648  89.858  3.2168  -1.703384      6.776939  
1 1 1 -9  8   25 o 78.825  3.0724  3376.12    262.312  3024.58    493.095  3514.86    309.781  73.979  6.2114  80.383  3.5581  -6.403419      7.158329  
1 1 1 -9  8   26 o 107.621 3.1910  6302.69    371.958  6424.64    758.007  6264.01    426.887  107.652 6.5319  107.207 3.6764  0.4450684      7.495453  
1 1 1 -9  8   27 o 40.171  1.9919  875.920    86.664   878.540    91.860   854.712    261.375  40.169  2.1189  38.778  6.4496  1.390800       6.788745  
1 1 1 -9  8   28 o 49.605  4.5314  1363.50    240.772  1329.31    478.680  1375.07    278.578  47.200  9.6880  49.623  5.2635  -2.422802      11.02553  
1 1 1 -9  8   29 f 116.884 3.3143  7471.92    419.582  7274.90    831.334  7539.27    486.027  113.381 6.8010  117.217 3.8282  -3.835579      7.804455  
1 1 1 -9  8   30 o 69.739  2.2955  2649.45    173.393  2532.33    271.394  2730.23    225.393  67.762  3.7119  70.660  2.9451  -2.897942      4.738355  
1 1 1 -9  8   31 o 59.444  4.1344  1967.08    264.531  1832.67    522.815  2013.32    306.685  54.624  9.1612  59.877  4.7685  -5.252701      10.32790  
1 1 1 -9  8   32 o 40.633  5.6271  957.005    241.002  841.699    477.691  996.376    279.130  35.279  11.160  41.048  6.4944  -5.769409      12.91222  
1 1 1 -9  8   33 o 44.832  5.3950  1180.05    256.711  783.220    500.548  1321.67    299.032  32.446  11.444  47.059  6.0037  -14.61231      12.92285  
1 1 1 -9  8   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  9   1  o 286.260 5.9066  44401.66   1831.33  43383.28   2243.38  46435.84   3170.61  282.917 7.3211  292.595 10.005  -9.677795      12.39730  
1 1 1 -9  9   2  o 243.947 4.4249  32237.74   1169.15  32704.63   1653.18  31770.58   1653.67  245.672 6.2129  242.136 6.3055  3.535843       8.852082  
1 1 1 -9  9   3  o 673.503 12.577  246245.91  9174.71  249409.30  15891.52 244664.30  11236.53 676.204 21.698  670.922 15.463  5.281372       26.64392  
1 1 1 -9  9   4  o 617.759 10.194  206996.80  6820.87  206070.20  9645.85  207923.59  9646.47  615.883 14.460  618.655 14.396  -2.772095      20.40459  
1 1 1 -9  9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  9   6  o 281.547 5.0100  42945.16   1527.77  43625.38   1763.99  40903.32   3056.21  283.751 5.7397  274.598 10.276  9.152161       11.77014  
1 1 1 -9  9   7  o 629.897 10.412  215254.80  7103.51  212716.50  8202.29  222870.80  14207.72 625.977 12.098  639.306 20.518  -13.32867      23.81942  
1 1 1 -9  9   8  o 910.062 17.246  450828.31  16999.03 450828.31  16999.03 0.0000     0.0000   910.062 17.246  ?       ?       0.000000       17.24577  
1 1 1 -9  9   9  o 246.514 5.1713  32926.07   1380.75  31117.53   1690.34  36552.55   2393.60  239.613 6.5132  259.624 8.5121  -20.01097      10.71808  
1 1 1 -9  9   10 o 455.845 8.8757  112715.30  4382.18  112715.30  4382.18  0.0000     0.0000   455.845 8.8757  ?       ?       0.000000       8.875695  
1 1 1 -9  9   11 o 827.747 15.732  373291.41  14104.51 374128.00  17274.65 371618.41  24429.06 827.432 19.276  820.859 27.477  6.572571       33.56379  
1 1 1 -9  9   12 o 448.915 8.7437  109383.20  4251.36  107865.10  7360.94  110143.10  5207.76  444.757 15.281  450.221 10.680  -5.464081      18.64271  
1 1 1 -9  9   13 o 348.473 6.0086  65847.18   2267.85  64902.75   4534.19  66162.27   2618.99  345.282 12.124  349.232 6.9239  -3.949707      13.96203  
1 1 1 -9  9   14 o 91.829  2.8838  4568.33    286.820  4847.97    565.974  4471.70    332.707  94.387  5.5608  90.846  3.3813  3.541016       6.508111  
1 1 1 -9  9   15 o 205.629 3.9124  22917.27   871.353  23413.66   1735.99  22750.09   1007.45  207.601 7.7205  204.849 4.5407  2.751831       8.956804  
1 1 1 -9  9   16 o 90.874  2.9119  4474.53    286.607  5057.17    567.255  4274.81    332.116  96.394  5.4556  88.814  3.4525  7.580238       6.456279  
1 1 1 -9  9   17 o 61.158  2.3867  2026.39    158.096  2006.01    208.334  2054.06    242.755  60.757  3.1769  61.448  3.6641  -0.6910133     4.849554  
1 1 1 -9  9   18 o 72.931  3.1177  2882.68    246.271  3196.34    474.219  2766.85    288.177  76.510  5.7649  71.341  3.7426  5.169090       6.873226  
1 1 1 -9  9   19 o 253.238 4.6092  34794.30   1264.24  36719.02   2526.31  34151.25   1460.24  259.471 8.9893  250.803 5.3755  8.668396       10.47396  
1 1 1 -9  9   20 o 113.048 3.0810  6927.43    377.241  6660.51    738.856  7021.54    438.738  110.519 6.1974  113.795 3.5597  -3.276611      7.146966  
1 1 1 -9  9   21 o 36.552  4.9035  738.454    189.232  835.338    337.012  693.844    228.685  38.387  8.3438  35.199  6.2263  3.188591       10.41087  
1 1 1 -9  9   22 o 163.617 3.4947  14522.87   619.312  13704.33   1221.91  14805.82   718.425  158.507 7.1174  165.158 4.0162  -6.650375      8.172340  
1 1 1 -9  9   23 o 256.677 4.8882  35836.56   1358.96  32459.14   3567.47  36409.84   1469.77  240.301 13.764  258.636 5.2468  -18.33481      14.73014  
1 1 1 -9  9   24 o 139.613 3.2723  10585.01   494.829  9960.17    960.442  10810.81   577.353  134.867 6.5750  141.030 3.7797  -6.162399      7.583971  
1 1 1 -9  9   25 o 34.402  4.9283  659.286    178.385  600.412    316.058  686.808    216.094  32.318  8.7945  34.927  5.9239  -2.609138      10.60361  
1 1 1 -9  9   26 o 51.094  4.3563  1436.63    238.774  1814.12    482.968  1314.52    274.692  56.473  8.1304  48.667  5.2967  7.805382       9.703520  
1 1 1 -9  9   27 o 71.112  2.7468  2750.76    211.567  2833.58    283.113  2646.02    318.384  71.964  3.6441  69.404  4.2560  2.559547       5.602948  
1 1 1 -9  9   28 o 84.673  3.3961  3915.98    311.458  4426.82    619.962  3743.53    360.215  88.818  6.4895  82.646  4.0241  6.171913       7.635884  
1 1 1 -9  9   29 o 48.965  2.1834  1304.02    115.793  1721.73    479.622  1278.17    119.323  54.136  8.4564  48.468  2.2730  5.667366       8.756569  
1 1 1 -9  9   30 o 87.045  2.9831  4144.44    281.242  4086.64    426.552  4188.89    374.068  85.730  4.6107  87.180  3.9616  -1.449196      6.078844  
1 1 1 -9  9   31 o 17.877  7.2086  102.828    214.994  -142.1367  433.277  182.844    247.631  20.192  9.1574  20.439  7.8909  -0.2478142     12.08818  
1 1 1 -9  9   32 o 24.260  7.6620  353.569    225.230  491.732    453.627  308.365    259.472  28.746  10.777  23.321  8.2377  5.424990       13.56506  
1 1 1 -9  9   33 o 13.613  6.3130  -139.0398  222.120  -249.7814  440.084  -101.1863  257.297  18.420  8.6541  15.257  6.9723  3.162971       11.11333  
1 1 1 -9  9   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  10  2  o 675.654 22.411  249123.50  16400.70 0.0000     0.0000   249123.50  16400.70 ?       ?       675.654 22.411  0.000000       22.41133  
1 1 1 -9  10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  10  4  o 656.688 12.546  234095.41  8923.65  235057.70  10928.41 232170.09  15458.44 657.649 15.342  652.401 21.877  5.248413       26.72035  
1 1 1 -9  10  5  o 410.502 6.9919  91326.51   3108.70  91831.07   3589.25  89811.59   6219.31  411.584 8.0515  406.612 14.122  4.971405       16.25585  
1 1 1 -9  10  6  o 763.593 14.479  316815.81  11974.95 316815.81  11974.95 0.0000     0.0000   763.593 14.479  ?       ?       0.000000       14.47909  
1 1 1 -9  10  7  o 701.894 11.595  267392.09  8814.71  269469.09  10178.27 261160.70  17629.87 704.361 13.342  691.273 23.547  13.08807       27.06370  
1 1 1 -9  10  8  o 350.327 6.0422  66506.59   2292.67  66944.66   2647.75  65193.99   4583.28  351.443 6.9559  346.512 12.212  4.930206       14.05410  
1 1 1 -9  10  9  o 228.036 4.8926  28173.81   1208.40  28715.30   1479.72  27089.67   2093.76  230.193 5.9350  223.499 8.6493  6.694290       10.48974  
1 1 1 -9  10  10 o 692.231 13.108  260440.50  9828.06  260440.50  9828.06  0.0000     0.0000   692.231 13.108  ?       ?       0.000000       13.10830  
1 1 1 -9  10  11 o 569.558 10.973  176204.20  6769.25  163629.50  11725.47 182490.20  8290.33  547.022 19.790  579.240 13.214  -32.21765      23.79661  
1 1 1 -9  10  12 o 339.252 7.2779  62427.76   2674.22  60808.61   4187.86  63542.58   3474.96  334.417 11.562  342.087 9.3787  -7.670105      14.88759  
1 1 1 -9  10  13 o 167.637 3.7494  15226.47   680.772  14108.86   1525.11  15504.57   760.771  160.945 8.7821  169.151 4.1525  -8.205734      9.714333  
1 1 1 -9  10  14 o 149.004 3.2583  12029.36   525.839  10917.43   1046.96  12404.47   608.102  141.837 6.8151  151.299 3.7108  -9.461624      7.759876  
1 1 1 -9  10  15 o 114.886 2.9700  7151.23    369.562  6494.43    734.297  7374.03    427.676  109.218 6.2332  116.654 3.3849  -7.435379      7.092955  
1 1 1 -9  10  16 o 206.332 4.2004  23080.27   938.694  22002.96   1767.36  23503.59   1107.87  201.163 8.1116  208.174 4.9135  -7.011215      9.483750  
1 1 1 -9  10  17 o 152.051 3.3187  12530.21   546.554  13700.91   1089.78  12136.78   631.752  158.832 6.3348  149.623 3.8983  9.208939       7.438152  
1 1 1 -9  10  18 f 80.903  2.9898  3547.11    261.980  3475.28    519.297  3571.63    303.422  79.764  6.0561  81.172  3.4512  -1.408485      6.970459  
1 1 1 -9  10  19 o 175.236 3.8582  16651.71   732.275  17218.42   1740.90  16529.88   807.153  177.437 9.0890  174.568 4.2689  2.868500       10.04164  
1 1 1 -9  10  20 o 129.583 3.1396  9102.53    440.644  8792.45    862.894  9211.92    512.506  127.171 6.2647  130.338 3.6304  -3.166946      7.240611  
1 1 1 -9  10  21 o 206.911 4.0181  23229.05   900.479  23012.55   1790.39  23302.37   1041.84  205.360 8.0494  207.172 4.6430  -1.812119      9.292494  
1 1 1 -9  10  22 o 154.631 3.4382  12970.90   575.839  13992.92   1136.88  12618.22   667.845  160.250 6.5501  152.464 4.0442  7.785294       7.698022  
1 1 1 -9  10  23 o 80.429  2.7415  3508.16    238.819  3496.43    517.118  3511.34    269.253  79.858  6.0230  80.450  3.0900  -0.5924683     6.769356  
1 1 1 -9  10  24 o 20.532  6.5849  225.414    165.868  390.655    293.880  148.168    200.932  27.001  8.7753  19.075  7.1686  7.925694       11.33114  
1 1 1 -9  10  25 o 132.561 3.1906  9551.64    458.101  9449.77    895.446  9587.75    533.152  131.151 6.3037  132.725 3.7088  -1.574310      7.313819  
1 1 1 -9  10  26 o 59.525  3.9129  1941.15    250.864  1891.87    509.223  1956.94    288.272  57.591  8.4117  59.659  4.4942  -2.068050      9.537000  
1 1 1 -9  10  27 o 48.596  4.7004  1307.29    244.315  2053.88    475.278  1039.16    284.829  60.188  7.4498  42.872  6.3238  17.31599       9.771893  
1 1 1 -9  10  28 o 123.247 3.3125  8293.50    442.185  8659.54    879.138  8169.54    511.610  124.320 6.5521  122.143 3.8672  2.176826       7.608287  
1 1 1 -9  10  29 o 119.008 3.2470  7743.91    418.537  8579.59    848.136  7474.90    481.211  123.455 6.3645  116.714 3.8066  6.740852       7.416060  
1 1 1 -9  10  30 o 2.6809  1.3562  -67.0308   19.339   -95.0317   29.179   -45.0939   25.826   3.3739  1.7018  3.9410  1.9149  -0.5670779     2.561841  
1 1 1 -9  10  31 o 32.984  6.6174  643.476    228.186  602.055    459.902  657.003    262.818  31.337  10.975  32.990  7.5223  -1.652594      13.30587  
1 1 1 -9  10  32 o ?       ?       -233.4518  29.456   -237.9322  29.667   78.509     247.548  ?       ?       18.113  7.5641  0.000000       7.564089  
1 1 1 -9  10  33 o 18.425  7.4447  138.146    229.800  9.7622     451.809  182.949    266.901  21.045  9.4653  20.069  8.0532  0.9760571      12.42759  
1 1 1 -9  10  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  11  1  o 580.844 13.546  183220.20  8522.01  186586.30  12054.34 179856.80  12049.55 585.362 19.013  574.651 19.360  10.71100       27.13457  
1 1 1 -9  11  2  o 296.085 5.1488  47494.95   1651.17  46655.58   2334.66  48334.96   2335.55  293.395 7.3468  298.633 7.2207  -5.237885      10.30121  
1 1 1 -9  11  3  f 444.542 7.4699  107110.70  3596.64  108258.00  5086.12  105963.20  5086.70  446.731 10.512  441.963 10.626  4.768158       14.94695  
1 1 1 -9  11  4  o 776.238 14.625  327371.00  12296.08 327371.00  12296.08 0.0000     0.0000   776.238 14.625  ?       ?       0.000000       14.62520  
1 1 1 -9  11  5  o 421.909 7.1112  96475.60   3249.64  95304.06   3751.91  99993.59   6501.61  419.282 8.2618  429.052 13.991  -9.769470      16.24804  
1 1 1 -9  11  6  o 802.825 15.115  350320.00  13143.19 350320.00  13143.19 0.0000     0.0000   802.825 15.115  ?       ?       0.000000       15.11506  
1 1 1 -9  11  7  o 507.401 8.4664  139592.41  4652.86  137659.00  5372.48  145394.09  9306.70  503.769 9.8463  516.958 16.622  -13.18860      19.31901  
1 1 1 -9  11  8  o 472.244 7.9251  120908.00  4053.60  119673.10  4680.76  124612.20  8106.85  469.736 9.2001  478.658 15.637  -8.921356      18.14280  
1 1 1 -9  11  9  o 780.579 14.739  331341.09  12461.23 319378.81  15261.44 355269.31  21584.55 765.473 18.408  805.247 24.748  -39.77411      30.84332  
1 1 1 -9  11  10 o 597.106 11.277  193607.41  7292.94  199510.80  8932.84  181807.30  12629.35 605.765 13.615  576.896 20.212  28.86926       24.37002  
1 1 1 -9  11  11 o 409.923 8.0684  91151.66   3582.27  84539.09   6206.41  94455.17   4386.75  394.041 14.542  417.130 9.7096  -23.08914      17.48572  
1 1 1 -9  11  12 o 335.561 6.7501  61064.77   2453.30  60959.19   3005.06  61275.76   4248.14  335.152 8.2783  335.672 11.685  -0.5191345     14.31993  
1 1 1 -9  11  13 o 203.538 3.9257  22448.18   865.444  23439.65   1729.05  22116.74   999.685  207.817 7.6817  202.010 4.5690  5.807159       8.937763  
1 1 1 -9  11  14 o 106.187 2.8455  6108.60    327.270  6412.20    655.316  6007.71    377.750  108.593 5.5905  105.299 3.3121  3.293533       6.498037  
1 1 1 -9  11  15 o 301.070 5.3192  49163.24   1734.55  49312.64   3467.71  49113.39   2003.15  300.835 10.643  300.840 6.1476  -0.4486084E-02 12.29051  
1 1 1 -9  11  16 o 156.381 3.3972  13253.17   575.409  13618.91   1142.95  13129.01   665.959  158.364 6.6635  155.628 3.9509  2.736343       7.746709  
1 1 1 -9  11  17 o 119.868 3.0268  7786.23    392.961  7671.28    782.874  7824.95    454.344  118.704 6.1099  120.152 3.4913  -1.448158      7.036995  
1 1 1 -9  11  18 o 142.353 3.2537  10983.43   501.663  10903.85   994.112  11010.62   581.077  141.658 6.4792  142.508 3.7646  -0.8497162     7.493512  
1 1 1 -9  11  19 o 313.468 5.4924  53356.37   1864.78  51544.19   3724.96  53962.42   2154.15  306.806 11.210  315.108 6.3117  -8.302399      12.86433  
1 1 1 -9  11  20 o 239.308 4.3952  31073.88   1139.20  31478.15   2266.95  30937.29   1317.67  240.179 8.7144  238.702 5.0966  1.477325       10.09533  
1 1 1 -9  11  21 o 246.819 4.9129  33085.14   1313.37  31994.85   2447.50  33526.06   1556.44  241.819 9.3446  248.321 5.7869  -6.501938      10.99138  
1 1 1 -9  11  22 o 128.044 3.2962  8892.99    457.141  9227.50    913.142  8781.12    528.080  130.137 6.4784  127.201 3.8330  2.935829       7.527374  
1 1 1 -9  11  23 o 61.635  3.4435  2068.31    228.958  1906.97    417.611  2137.64    273.771  58.722  6.6852  62.599  4.0598  -3.877064      7.821369  
1 1 1 -9  11  24 o 34.830  4.9028  673.928    179.840  646.251    342.194  684.490    211.387  33.622  9.1516  34.946  5.7874  -1.323841      10.82804  
1 1 1 -9  11  25 o 152.776 3.3842  12693.53   559.990  13725.84   1109.32  12340.50   648.712  157.982 6.4830  150.516 3.9792  7.466599       7.606845  
1 1 1 -9  11  26 o 147.309 3.4298  11818.94   547.225  12290.41   1095.17  11662.06   631.744  148.988 6.7867  146.181 3.9901  2.806229       7.872735  
1 1 1 -9  11  27 o 119.032 3.3248  7724.02    428.651  8124.98    841.777  7583.65    498.063  120.824 6.4558  117.799 3.9037  3.025810       7.544232  
1 1 1 -9  11  28 o 23.462  1.6642  300.231    42.017   299.102    42.638   338.120    246.992  23.415  1.6926  24.685  8.0459  -1.269232      8.222029  
1 1 1 -9  11  29 o 87.156  2.9349  4146.41    277.051  4921.62    634.421  3963.73    307.968  93.446  6.3051  85.116  3.3406  8.329742       7.135438  
1 1 1 -9  11  30 o 68.531  2.6690  2564.07    198.106  2858.98    254.095  2106.92    316.356  72.225  3.2482  61.401  4.7950  10.82348       5.791609  
1 1 1 -9  11  31 o 27.373  7.3683  451.274    223.285  666.320    449.896  380.993    257.197  32.519  10.871  25.418  8.2047  7.101463       13.61947  
1 1 1 -9  11  32 o 33.855  2.0317  627.396    74.156   617.561    77.153   746.666    268.678  33.570  2.1330  34.999  7.3229  -1.429462      7.627217  
1 1 1 -9  11  33 o 19.179  7.5503  173.470    230.309  271.138    452.142  139.250    267.632  24.121  10.157  19.229  7.9335  4.892036       12.88829  
1 1 1 -9  11  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  12  1  o 157.679 3.1880  13466.55   544.460  13228.21   769.519  13705.46   770.446  156.265 4.5466  159.060 4.4721  -2.794708      6.377402  
1 1 1 -9  12  2  o 231.008 4.2239  28907.61   1056.83  28283.30   1493.99  29532.92   1495.18  228.468 6.0375  233.463 5.9130  -4.995193      8.450693  
1 1 1 -9  12  3  o 485.652 9.1616  127891.20  4819.11  122643.00  5900.73  138403.09  8351.05  475.413 11.459  504.648 15.279  -29.23520      19.09851  
1 1 1 -9  12  4  o 274.757 4.9429  40897.62   1470.97  41314.96   1698.02  39642.57   2944.60  276.138 5.6773  270.350 10.056  5.788666       11.54806  
1 1 1 -9  12  5  o 134.224 3.0756  9758.10    447.127  9921.92    500.767  9113.93    992.977  135.344 3.4161  129.482 7.1076  5.861938       7.885934  
1 1 1 -9  12  6  o 516.973 8.5559  144906.30  4790.74  142345.80  5531.46  152592.50  9583.59  512.277 9.9693  529.629 16.707  -17.35229      19.45495  
1 1 1 -9  12  7  o 565.141 9.3595  173217.80  5729.02  171420.91  6615.09  178610.00  11459.12 562.058 10.866  572.651 18.475  -10.59271      21.43397  
1 1 1 -9  12  8  o 580.446 11.135  182862.50  7000.10  182315.20  8573.09  183957.50  12125.23 579.253 13.665  580.901 19.272  -1.648682      23.62451  
1 1 1 -9  12  9  o 267.625 6.8401  38822.74   1982.70  38822.74   1982.70  0.0000     0.0000   267.625 6.8401  ?       ?       0.000000       6.840066  
1 1 1 -9  12  10 o 351.954 7.0059  67154.77   2670.67  66583.95   3271.76  68294.58   4623.27  350.358 8.6218  354.558 12.039  -4.199280      14.80791  
1 1 1 -9  12  11 o 100.628 3.3987  5485.45    370.424  4784.65    644.985  5830.36    452.489  93.728  6.3916  103.737 4.0272  -10.00959      7.554532  
1 1 1 -9  12  12 f 409.056 7.9897  90797.81   3539.86  87404.18   4334.92  97589.78   6132.63  401.115 9.9780  423.318 13.376  -22.20288      16.68725  
1 1 1 -9  12  13 o 208.945 4.0171  23657.66   909.099  24574.69   1816.57  23351.25   1050.05  212.771 7.8826  207.566 4.6707  5.205704       9.162480  
1 1 1 -9  12  14 o 219.060 4.3580  26010.50   1034.01  24717.77   2646.13  26243.46   1123.32  212.681 11.530  220.023 4.7138  -7.342041      12.45657  
1 1 1 -9  12  15 o 281.631 5.0125  43013.04   1529.00  39780.65   3054.15  44094.12   1766.27  270.223 10.435  285.089 5.7201  -14.86594      11.90007  
1 1 1 -9  12  16 o 262.282 4.7488  37306.86   1349.03  35980.43   2696.45  37749.71   1558.04  257.006 9.6868  263.775 5.4535  -6.768982      11.11639  
1 1 1 -9  12  17 o 318.066 5.9178  54924.41   2038.69  57846.05   3793.12  53737.59   2417.56  325.475 10.760  314.437 7.0986  11.03772       12.89054  
1 1 1 -9  12  18 o 46.057  3.5869  1156.89    177.519  1014.71    329.815  1214.87    210.632  42.583  7.4207  47.147  4.1677  -4.564388      8.510942  
1 1 1 -9  12  19 o 119.491 3.0704  7738.85    397.376  7545.03    779.088  7807.00    461.988  117.679 6.1337  119.999 3.5545  -2.319916      7.089227  
1 1 1 -9  12  20 o 221.470 4.3870  26614.41   1052.32  24994.84   2680.00  26909.63   1144.22  213.066 11.657  222.658 4.7446  -9.591812      12.58592  
1 1 1 -9  12  21 o 134.719 3.1906  9840.67    465.554  9487.23    913.723  9964.59    541.051  132.038 6.3892  135.537 3.6856  -3.499725      7.376016  
1 1 1 -9  12  22 o 208.515 4.0643  23603.07   917.893  22954.26   1825.69  23822.55   1061.86  204.861 8.2280  209.399 4.6819  -4.537811      9.466813  
1 1 1 -9  12  23 o 76.480  2.7067  3172.12    224.212  2997.88    504.793  3214.95    250.252  73.844  6.3739  76.982  3.0014  -3.137672      7.045185  
1 1 1 -9  12  24 o 16.125  6.3695  78.964     164.421  -227.3512  326.598  182.955    190.294  17.028  7.8090  19.730  7.0454  -2.701649      10.51755  
1 1 1 -9  12  25 o 130.158 3.2445  9210.58    457.395  8879.44    891.299  9328.96    532.920  126.888 6.5072  130.904 3.7587  -4.015755      7.514788  
1 1 1 -9  12  26 o 99.703  2.8466  5404.88    307.404  6326.09    551.008  4988.59    370.406  107.489 4.7328  95.677  3.5744  11.81255       5.930933  
1 1 1 -9  12  27 o 122.243 3.2856  8145.65    435.018  8076.27    868.311  8168.90    502.650  120.324 6.6892  122.284 3.7951  -1.960197      7.690754  
1 1 1 -9  12  28 o 24.245  0.9225  318.534    24.225   -244.6335  289.501  322.505    24.311   15.348  7.1476  24.395  0.9201  -9.047958      7.206537  
1 1 1 -9  12  29 o 61.108  3.9600  2059.87    260.684  3199.46    523.930  1684.94    300.524  75.155  6.5005  54.896  5.1132  20.25845       8.270458  
1 1 1 -9  12  30 o 23.618  7.5579  319.666    218.602  407.987    436.610  290.118    252.535  28.038  10.561  23.209  8.1328  4.828262       13.32975  
1 1 1 -9  12  31 o 38.050  5.8396  837.142    232.978  835.944    467.948  837.536    268.640  35.861  11.000  37.640  6.8414  -1.779438      12.95380  
1 1 1 -9  12  32 o 33.100  1.4932  595.676    53.534   605.972    54.683   358.386    262.517  33.383  1.5123  24.555  8.3034  8.828657       8.440009  
1 1 1 -9  12  33 o 37.299  2.1891  765.373    88.048   555.306    480.397  772.675    89.565   28.421  10.985  37.469  2.2168  -9.048355      11.20690  
1 1 1 -9  12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  13  1  o 391.573 6.5626  83089.69   2783.30  83434.91   3935.98  82744.39   3936.37  392.259 9.2642  390.630 9.3038  1.628723       13.12961  
1 1 1 -9  13  2  o 364.184 5.6084  71859.97   2212.21  75021.33   2855.60  67115.05   3498.45  372.056 7.0863  351.815 9.1810  20.24078       11.59770  
1 1 1 -9  13  3  o 67.342  2.4027  2456.11    175.251  2436.13    200.246  2521.47    362.236  67.066  2.7567  68.042  4.9491  -0.9759369     5.665078  
1 1 1 -9  13  4  o 384.022 6.6333  79917.91   2759.01  84207.90   3185.55  67038.89   5519.47  394.159 7.4618  351.272 14.507  42.88647       16.31371  
1 1 1 -9  13  5  o 206.714 3.8794  23146.44   868.576  23003.16   1002.42  23578.08   1739.88  206.065 4.4913  208.560 7.7022  -2.495117      8.916079  
1 1 1 -9  13  6  o 455.643 7.6635  112539.40  3782.01  114072.50  4366.78  107937.30  7565.66  458.667 8.7901  445.553 15.678  13.11420       17.97360  
1 1 1 -9  13  7  o 455.598 7.6816  112522.40  3790.55  112594.50  4376.88  112305.90  7581.48  455.668 8.8684  454.474 15.402  1.194702       17.77269  
1 1 1 -9  13  8  o 443.059 8.6382  106450.80  4145.26  106449.20  5076.62  106454.00  7180.56  442.906 10.583  442.466 14.983  0.4396057      18.34373  
1 1 1 -9  13  9  o 398.235 9.5638  86040.15   4125.15  82845.96   5833.43  89235.24   5834.26  390.394 13.796  405.223 13.293  -14.82864      19.15803  
1 1 1 -9  13  10 o 191.245 3.6692  19813.14   760.032  19797.76   1076.47  19828.43   1073.23  191.142 5.1997  191.291 5.1800  -0.1484375     7.339543  
1 1 1 -9  13  11 o 500.352 9.6879  135920.20  5250.19  128287.20  9094.47  139735.70  6429.83  484.765 17.321  507.033 11.708  -22.26865      20.90706  
1 1 1 -9  13  12 o 529.082 10.172  152098.91  5828.95  145140.50  7138.75  166018.50  10096.68 516.347 12.765  551.155 16.914  -34.80774      21.18975  
1 1 1 -9  13  13 f 221.246 4.1708  26526.72   999.470  24332.70   1996.91  27260.05   1154.48  211.659 8.7107  224.261 4.7530  -12.60159      9.923015  
1 1 1 -9  13  14 o 217.071 4.1105  25538.25   966.417  25335.02   1931.85  25606.09   1116.11  215.944 8.2596  217.331 4.7415  -1.386322      9.523849  
1 1 1 -9  13  15 o 194.077 3.8188  20414.48   802.726  21200.01   1604.74  20152.33   927.045  197.548 7.5000  192.799 4.4394  4.748276       8.715439  
1 1 1 -9  13  16 f 196.668 3.8263  20965.71   815.046  21199.32   1624.79  20887.16   942.161  197.491 7.5959  196.268 4.4321  1.223373       8.794344  
1 1 1 -9  13  17 o 188.203 3.7337  19201.25   761.085  18532.38   1514.81  19427.11   880.256  184.606 7.5760  189.275 4.2938  -4.669708      8.708241  
1 1 1 -9  13  18 o 135.802 3.2373  9995.91    476.166  9714.54    1010.93  10076.13   539.795  133.486 7.0168  136.330 3.6557  -2.844284      7.912014  
1 1 1 -9  13  19 o 168.144 3.5035  15327.81   638.053  14577.36   1265.88  15583.39   738.759  163.693 7.1399  169.510 4.0238  -5.817703      8.195723  
1 1 1 -9  13  20 o 190.619 3.7520  19705.93   774.638  18877.78   1539.23  19986.83   896.433  186.150 7.6343  191.928 4.3123  -5.778381      8.768076  
1 1 1 -9  13  21 o 151.257 3.3686  12406.75   551.860  12558.00   1089.58  12354.57   640.026  151.880 6.6235  150.902 3.9159  0.9784241      7.694469  
1 1 1 -9  13  22 f 64.966  2.6077  2287.95    183.487  1936.43    243.014  2754.11    279.847  59.614  3.7833  71.150  3.6436  -11.53593      5.252530  
1 1 1 -9  13  23 o 122.769 3.1498  8178.42    418.829  9115.12    833.017  7861.52    484.525  129.286 5.9489  120.321 3.7180  8.964401       7.015142  
1 1 1 -9  13  24 o 42.451  4.3673  991.237    197.939  1262.90    381.683  891.298    231.503  47.324  7.7121  40.041  5.4820  7.283520       9.461966  
1 1 1 -9  13  25 o 97.872  3.0622  5206.01    324.609  5111.92    632.130  5239.71    378.297  96.295  6.0922  98.128  3.5594  -1.832268      7.055786  
1 1 1 -9  13  26 o 23.496  2.0024  301.741    50.472   652.780    427.513  296.778    50.828   33.758  10.540  23.297  2.0347  10.46049       10.73492  
1 1 1 -9  13  27 o 50.419  4.3560  1402.70    235.543  800.757    475.635  1598.29    271.123  36.750  11.052  53.765  4.7031  -17.01483      12.01068  
1 1 1 -9  13  28 o 80.468  3.4897  3539.07    304.147  4289.03    591.345  3269.32    354.653  87.487  6.2824  77.054  4.2661  10.43324       7.594008  
1 1 1 -9  13  29 o 59.012  4.0491  1923.51    257.238  1801.56    514.895  1964.07    296.952  55.104  8.9330  59.452  4.6486  -4.348469      10.07014  
1 1 1 -9  13  30 o 62.696  3.9492  2175.20    266.805  2614.09    533.420  2028.76    308.116  67.009  7.4771  60.248  4.7605  6.761246       8.863992  
1 1 1 -9  13  31 o 33.946  6.4610  678.646    228.876  907.512    458.126  602.523    264.211  37.369  10.745  31.469  7.7927  5.899851       13.27335  
1 1 1 -9  13  32 o 64.487  2.2185  2271.96    154.954  2167.60    238.635  2348.04    203.753  62.473  3.5413  65.362  2.8781  -2.889420      4.563373  
1 1 1 -9  13  33 o 33.953  6.6861  715.193    237.130  703.639    477.285  718.979    273.238  30.834  11.141  33.371  7.7140  -2.537264      13.55068  
1 1 1 -9  13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  14  1  o 438.598 7.2152  104259.20  3427.54  106644.90  4847.22  101873.40  4847.34  443.421 10.093  433.372 10.327  10.04901       14.43980  
1 1 1 -9  14  2  o 312.777 5.4066  53003.23   1831.61  50966.04   2113.99  59137.24   3668.25  306.681 6.3642  330.191 10.257  -23.50958      12.07110  
1 1 1 -9  14  3  o 199.929 3.7325  21651.36   808.253  21053.46   932.294  23460.52   1621.72  197.142 4.3662  208.055 7.1966  -10.91298      8.417525  
1 1 1 -9  14  4  o 578.844 10.989  181791.00  6889.75  181791.00  6889.75  0.0000     0.0000   578.844 10.989  ?       ?       0.000000       10.98935  
1 1 1 -9  14  5  o 504.162 8.4804  137808.59  4630.83  140363.30  5346.93  130141.10  9263.18  508.724 9.7040  489.031 17.489  19.69354       20.00043  
1 1 1 -9  14  6  o 476.729 8.0122  123208.90  4137.06  124890.00  4776.77  118163.00  8275.68  479.891 9.1901  466.084 16.393  13.80743       18.79369  
1 1 1 -9  14  7  o 298.598 5.2507  48308.17   1698.14  47583.43   1960.75  50483.15   3396.74  296.325 6.1092  305.042 10.281  -8.716583      11.95909  
1 1 1 -9  14  8  o 393.564 7.6708  83973.01   3269.82  76277.23   5661.27  87825.45   4005.49  374.629 13.952  402.396 9.1904  -27.76620      16.70705  
1 1 1 -9  14  9  o 318.345 6.3552  54927.05   2191.28  54484.14   2685.29  55809.87   3791.10  316.992 7.8212  320.640 10.916  -3.647339      13.42899  
1 1 1 -9  14  10 o 537.022 8.8093  156458.20  5123.91  157730.91  7246.55  155185.59  7246.06  538.728 12.419  534.348 12.520  4.379822       17.63484  
1 1 1 -9  14  11 o 457.512 8.9084  113604.70  4414.42  113019.50  7648.44  113897.00  5405.67  455.322 15.509  457.851 10.901  -2.529419      18.95667  
1 1 1 -9  14  12 o 181.817 4.6325  17914.92   912.261  18407.95   1160.69  17118.17   1475.51  184.264 5.8157  177.619 7.6698  6.645523       9.625384  
1 1 1 -9  14  13 o 586.609 9.7376  187056.59  6186.86  185070.59  8749.70  189042.41  8749.37  582.362 13.872  588.625 13.724  -6.263367      19.51311  
1 1 1 -9  14  14 o 138.352 3.1313  10370.93   469.220  11008.57   931.635  10154.20   543.138  142.450 6.0383  136.887 3.6633  5.563370       7.062626  
1 1 1 -9  14  15 o 154.186 3.3045  12882.29   551.851  12937.65   1102.71  12863.79   637.413  154.375 6.5950  154.059 3.8200  0.3165894      7.621452  
1 1 1 -9  14  16 f 136.365 3.1425  10076.76   464.133  10514.81   919.128  9926.82    537.729  139.175 6.0974  135.331 3.6686  3.844116       7.115941  
1 1 1 -9  14  17 o 248.864 4.7870  33596.14   1290.31  31420.58   3387.68  33965.31   1395.49  239.024 13.136  250.195 5.1497  -11.17090      14.10930  
1 1 1 -9  14  18 o 311.128 5.4635  52549.90   1841.12  52368.81   3678.72  52610.41   2126.62  309.455 10.976  311.181 6.3097  -1.726044      12.66001  
1 1 1 -9  14  19 o 223.850 4.2227  27180.32   1023.80  27480.11   2041.47  27079.59   1183.36  224.550 8.3938  223.374 4.8912  1.175705       9.714945  
1 1 1 -9  14  20 o 200.506 3.9177  21806.46   850.806  21819.02   1693.14  21802.22   984.072  200.090 7.8126  200.432 4.5330  -0.3418427     9.032461  
1 1 1 -9  14  21 o 332.233 5.8164  60020.12   2092.97  58977.18   4178.45  60369.43   2418.21  327.271 11.788  332.976 6.7052  -5.704346      13.56150  
1 1 1 -9  14  22 o 158.476 3.4783  13625.71   597.033  14783.53   1182.62  13229.70   691.640  164.676 6.6305  156.101 4.0908  8.574600       7.790884  
1 1 1 -9  14  23 o 200.848 4.2198  21924.53   917.974  22554.41   2272.93  21801.76   1003.45  201.624 10.444  200.213 4.6274  1.411423       11.42313  
1 1 1 -9  14  24 o 148.092 3.3455  11914.18   536.610  12964.54   1069.05  11560.40   620.432  153.839 6.4159  145.790 3.9291  8.049042       7.523441  
1 1 1 -9  14  25 o 116.577 3.0863  7386.95    389.697  7591.67    753.443  7312.18    455.332  117.455 5.9419  115.905 3.6271  1.550362       6.961440  
1 1 1 -9  14  26 o 106.523 3.1976  6176.77    368.921  6177.59    754.845  6176.52    422.866  105.441 6.6436  106.434 3.6682  -0.9929199     7.588989  
1 1 1 -9  14  27 o 106.777 3.0921  6211.11    357.610  6634.46    641.189  6019.97    430.843  109.696 5.3967  104.966 3.7897  4.729897       6.594351  
1 1 1 -9  14  28 o 51.269  4.3567  1454.06    239.635  1726.41    485.258  1366.22    275.582  54.435  8.5090  49.457  5.2237  4.978413       9.984504  
1 1 1 -9  14  29 o 15.355  6.7319  -35.9231   214.366  -230.6220  416.912  34.050     249.936  19.245  8.8244  17.783  7.5234  1.461475       11.59621  
1 1 1 -9  14  30 o 34.658  6.3373  699.295    229.124  756.993    461.660  680.438    263.923  34.734  10.969  33.797  7.4137  0.9360619      13.23980  
1 1 1 -9  14  31 o 37.034  5.9897  796.510    232.056  487.350    463.618  899.856    268.051  29.284  10.912  39.171  6.5493  -9.887186      12.72639  
1 1 1 -9  14  32 o 22.721  2.4232  285.656    58.712   264.794    60.232   683.416    263.003  21.830  2.5985  33.318  7.4723  -11.48818      7.911190  
1 1 1 -9  14  33 o 37.319  6.1806  846.868    241.075  1234.35    485.529  720.083    277.728  40.939  10.796  33.274  7.8358  7.664852       13.33952  
1 1 1 -9  14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  15  2  o 279.511 5.3691  42328.08   1625.43  43062.49   1749.55  37696.14   4393.81  281.917 5.7297  262.900 15.499  19.01694       16.52425  
1 1 1 -9  15  3  o 113.551 2.7879  6983.48    342.880  7002.45    394.565  6924.99    692.972  113.703 3.2039  112.910 5.6847  0.7925262      6.525372  
1 1 1 -9  15  4  o 208.154 3.8220  23469.76   861.669  23423.30   994.323  23609.89   1726.71  207.940 4.4149  208.703 7.6387  -0.7633209     8.822760  
1 1 1 -9  15  5  o 407.616 7.4994  90060.28   3310.90  89181.51   3542.45  96130.84   9310.65  405.594 8.0638  419.911 20.472  -14.31757      22.00258  
1 1 1 -9  15  6  o 455.588 7.6555  112513.90  3777.62  111721.90  4361.67  114891.40  7557.05  453.906 8.8719  459.722 15.177  -5.816071      17.57991  
1 1 1 -9  15  7  o 159.664 3.2271  13808.12   558.072  13824.29   644.838  13759.87   1113.91  159.753 3.7268  159.342 6.4543  0.4111938      7.452994  
1 1 1 -9  15  8  o 362.133 7.0879  71086.10   2780.08  69719.16   4813.21  71770.43   3405.61  358.289 12.403  363.789 8.6432  -5.500702      15.11765  
1 1 1 -9  15  9  o 462.613 8.7940  116081.80  4406.33  118167.10  5397.43  111914.90  7629.73  466.575 10.681  453.474 15.534  13.10025       18.85162  
1 1 1 -9  15  10 o 753.109 12.225  308241.19  9971.62  297300.81  14102.31 319180.59  14101.69 738.216 17.637  765.092 17.017  -26.87573      24.50847  
1 1 1 -9  15  11 o 112.112 3.5220  6809.16    427.670  5322.00    774.405  7461.76    512.995  98.790  7.2889  117.355 4.0359  -18.56428      8.331663  
1 1 1 -9  15  12 o 287.024 5.8691  44666.36   1824.56  44058.42   2234.98  45881.03   3159.20  284.978 7.2409  290.576 10.038  -5.598419      12.37708  
1 1 1 -9  15  13 o 327.223 5.6745  58062.98   2011.12  54761.99   2843.84  61365.45   2844.48  317.551 8.2684  336.203 7.8114  -18.65140      11.37474  
1 1 1 -9  15  14 o 185.980 3.6905  18744.05   743.392  19142.20   1485.96  18611.14   858.554  187.761 7.3069  185.298 4.2779  2.462967       8.467037  
1 1 1 -9  15  15 o 244.033 4.4653  32286.98   1180.22  32150.33   2356.63  32332.72   1363.54  243.100 8.9503  244.159 5.1562  -1.058670      10.32924  
1 1 1 -9  15  16 o 256.305 4.6812  35626.63   1299.52  36379.25   2595.51  35374.85   1501.23  258.457 9.2718  255.334 5.4284  3.123154       10.74398  
1 1 1 -9  15  17 o 118.720 3.0001  7637.93    385.772  6654.23    751.093  7990.42    449.607  110.508 6.3013  121.416 3.4189  -10.90851      7.169089  
1 1 1 -9  15  18 o 318.346 5.5353  55020.96   1908.58  53495.22   3811.36  55531.61   2204.96  312.677 11.254  319.691 6.3680  -7.013367      12.93087  
1 1 1 -9  15  19 o 71.399  3.0759  2763.08    237.867  2939.83    452.910  2695.76    279.521  73.346  5.7472  70.415  3.6778  2.930817       6.823252  
1 1 1 -9  15  20 o 215.034 4.1194  25085.90   959.432  25038.78   1911.37  25101.77   1109.31  214.262 8.2363  215.038 4.7629  -0.7763214     9.514242  
1 1 1 -9  15  21 o 167.969 3.7190  15304.90   676.580  16974.91   1291.36  14673.04   794.330  176.553 6.7531  164.404 4.4609  12.14906       8.093426  
1 1 1 -9  15  22 o 162.563 3.5073  14338.56   617.539  16268.52   1232.06  13691.02   713.657  172.746 6.5850  158.790 4.1495  13.95609       7.783326  
1 1 1 -9  15  23 o 92.969  3.0809  4689.87    310.229  5119.73    615.044  4543.18    359.281  96.709  5.9000  91.469  3.6265  5.239738       6.925463  
1 1 1 -9  15  24 o 73.974  2.6489  2969.42    212.233  2794.21    496.513  3008.59    234.760  71.112  6.5189  74.445  2.9115  -3.332642      7.139550  
1 1 1 -9  15  25 o 48.964  2.0919  1300.59    110.940  1221.89    383.326  1307.78    115.900  46.325  7.9246  49.095  2.1796  -2.769978      8.218863  
1 1 1 -9  15  26 o 97.336  3.0762  5155.69    324.310  5569.64    686.622  5036.83    367.939  100.193 6.3601  96.134  3.5337  4.058945       7.275880  
1 1 1 -9  15  27 o 69.031  3.5836  2608.26    267.014  2493.75    539.476  2645.42    307.294  66.258  7.6584  69.408  4.1059  -3.149132      8.689625  
1 1 1 -9  15  28 o 35.090  5.9349  702.194    217.519  341.058    447.354  814.012    248.927  27.629  10.622  37.730  6.3145  -10.10151      12.35757  
1 1 1 -9  15  29 o 75.581  2.8702  3118.04    234.957  3167.32    320.408  3060.72    345.576  75.824  3.9148  74.402  4.3068  1.422699       5.820125  
1 1 1 -9  15  30 o 108.956 3.3092  6511.75    390.517  6854.13    778.863  6396.77    451.351  109.566 6.5939  107.739 3.8679  1.827057       7.644602  
1 1 1 -9  15  31 o 64.067  2.7164  2245.85    188.498  2716.66    542.230  2181.13    201.037  67.887  7.4996  63.081  2.9424  4.805588       8.056203  
1 1 1 -9  15  32 o ?       ?       -91.9418   19.153   -145.1102  29.116   -51.3898   25.428   ?       ?       3.7338  1.8325  0.000000       1.832470  
1 1 1 -9  15  33 o 42.542  5.4562  1072.77    245.613  1308.69    490.489  993.812    283.752  42.236  10.707  40.023  6.7883  2.212387       12.67795  
1 1 1 -9  15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  16  1  o 461.145 9.0691  115307.90  4529.72  115307.90  4529.72  0.0000     0.0000   461.145 9.0691  ?       ?       0.000000       9.069104  
1 1 1 -9  16  2  o 298.607 5.2570  48308.58   1700.23  48834.54   1962.44  46725.41   3404.72  300.208 6.0354  293.478 10.711  6.730255       12.29448  
1 1 1 -9  16  3  f 238.058 4.6576  30701.04   1200.92  30943.53   1419.04  30089.10   2254.27  238.981 5.4823  235.571 8.8352  3.410034       10.39786  
1 1 1 -9  16  4  o 513.984 9.9430  143290.00  5535.23  143290.00  5535.23  0.0000     0.0000   513.984 9.9430  ?       ?       0.000000       9.942976  
1 1 1 -9  16  5  o 641.495 10.579  223261.91  7350.19  224389.41  8486.87  219878.00  14702.44 642.923 12.188  634.844 21.382  8.078796       24.61170  
1 1 1 -9  16  6  o 584.796 10.276  185531.50  6508.75  186695.59  6944.97  177128.00  18659.38 586.559 10.932  566.709 30.512  19.85040       32.41113  
1 1 1 -9  16  7  o 212.968 4.5826  24571.52   1057.05  23072.73   1826.65  25326.11   1296.11  206.287 8.1755  216.195 5.5351  -9.908035      9.872992  
1 1 1 -9  16  8  o 501.188 11.832  136394.41  6422.72  129404.40  9082.73  143385.59  9083.48  487.457 17.203  513.255 16.340  -25.79822      23.72643  
1 1 1 -9  16  9  o 721.780 13.754  283251.09  10752.74 281843.59  13169.70 286065.69  18623.32 719.259 16.905  722.515 23.798  -3.255676      29.19127  
1 1 1 -9  16  10 o 440.301 7.2428  105123.10  3454.06  102424.50  4884.96  107821.30  4884.59  434.319 10.384  445.644 10.120  -11.32489      14.49983  
1 1 1 -9  16  11 o 442.415 8.6365  106229.20  4138.46  104131.80  7170.48  107276.90  5067.69  437.040 15.148  444.356 10.530  -7.315643      18.44814  
1 1 1 -9  16  12 o 218.123 4.7365  25785.70   1118.99  25754.91   1372.61  25846.71   1932.13  217.949 5.8146  218.213 8.1750  -0.2634277     10.03195  
1 1 1 -9  16  13 o 175.819 3.6000  16749.70   685.547  16681.10   972.213  16817.54   966.830  175.410 5.1173  176.128 5.0682  -0.7177582     7.202280  
1 1 1 -9  16  14 f 242.425 4.4489  31858.75   1168.14  31640.93   2332.52  31931.67   1349.58  241.232 8.9273  242.662 5.1348  -1.430847      10.29873  
1 1 1 -9  16  15 o 148.516 3.2396  11952.30   521.125  11595.83   1033.94  12073.70   603.369  146.149 6.5317  149.254 3.7324  -3.104492      7.522897  
1 1 1 -9  16  16 o 234.226 4.3416  29747.88   1101.43  30712.17   2198.91  29424.89   1272.59  237.565 8.5458  232.900 5.0448  4.665024       9.923785  
1 1 1 -9  16  17 o 123.204 3.0081  8225.91    401.404  7310.29    790.495  8544.03    465.947  115.839 6.3244  125.551 3.4265  -9.711586      7.192940  
1 1 1 -9  16  18 o 129.094 3.1031  9032.23    433.876  8289.30    854.558  9290.26    503.616  123.344 6.4188  130.908 3.5519  -7.564156      7.336026  
1 1 1 -9  16  19 o 218.494 4.1273  25893.63   976.727  25312.44   1946.72  26089.15   1129.13  215.512 8.3399  219.261 4.7546  -3.749222      9.600029  
1 1 1 -9  16  20 o 100.687 3.1056  5495.80    338.679  5773.47    663.747  5398.06    393.802  102.884 5.9822  99.768  3.6443  3.115883       7.004856  
1 1 1 -9  16  21 o 351.820 6.5940  67393.99   2512.71  67935.27   4665.98  67172.91   2982.04  350.913 12.276  350.851 7.8473  0.6265259E-01  14.57023  
1 1 1 -9  16  22 o 160.134 3.4689  13913.29   601.649  14505.23   1199.80  13714.44   695.402  163.069 6.7930  158.932 4.0397  4.136948       7.903481  
1 1 1 -9  16  23 o 254.483 4.6299  35230.62   1276.15  37853.43   2550.61  34354.80   1473.89  262.158 8.9828  251.091 5.4196  11.06715       10.49104  
1 1 1 -9  16  24 o 30.099  5.5974  510.663    175.759  577.857    346.937  487.464    203.854  31.962  9.3973  29.250  6.5925  2.711954       11.47909  
1 1 1 -9  16  25 f 120.446 3.1204  7887.47    407.071  9090.35    818.061  7491.61    469.298  128.664 5.8703  117.292 3.6941  11.37193       6.935874  
1 1 1 -9  16  26 o 186.702 4.3367  19061.24   876.962  19633.65   2001.40  18925.22   975.606  185.428 10.002  185.811 4.8477  -0.3823547     11.11508  
1 1 1 -9  16  27 o 31.452  6.4364  568.658    211.877  266.310    436.186  662.029    242.395  26.419  10.394  33.896  6.8383  -7.477163      12.44169  
1 1 1 -9  16  28 o 61.605  2.7093  2067.09    180.778  2971.68    520.359  1942.93    192.786  72.541  6.6986  59.691  2.9819  12.85043       7.332309  
1 1 1 -9  16  29 o 65.181  2.7079  2317.12    191.173  2324.57    238.115  2303.60    320.671  65.070  3.3903  64.400  4.6281  0.6697617      5.737068  
1 1 1 -9  16  30 o 57.068  4.3283  1812.58    265.539  2242.78    516.452  1657.99    309.597  61.711  7.9087  54.182  5.3452  7.528797       9.545617  
1 1 1 -9  16  31 o 11.855  5.6788  -269.8629  208.316  -67.6677   420.792  -335.5051  239.758  20.661  9.2249  12.438  5.9924  8.223202       11.00037  
1 1 1 -9  16  32 o 23.300  7.6411  324.228    222.639  229.365    447.742  355.388    256.613  24.369  10.175  24.341  8.2096  0.2806282E-01  13.07357  
1 1 1 -9  16  33 o 36.284  6.4623  811.519    244.656  0.0000     0.0000   811.519    244.656  ?       ?       36.284  6.4623  0.000000       6.462331  
1 1 1 -9  16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  17  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  17  2  o 326.762 5.6166  57851.75   1987.80  55364.82   2294.21  65341.27   3981.33  319.631 6.6269  347.054 10.592  -27.42255      12.49393  
1 1 1 -9  17  3  o 301.743 5.2139  49328.74   1703.99  47423.43   1966.64  55067.17   3413.01  295.834 6.1377  318.635 9.8895  -22.80121      11.63930  
1 1 1 -9  17  4  o 614.424 10.996  204839.80  7317.69  205148.41  8701.73  204094.41  13523.23 614.642 13.071  611.866 20.406  2.776001       24.23327  
1 1 1 -9  17  5  o 547.824 8.9072  162737.20  5285.07  161346.30  6102.15  166912.70  10572.85 545.355 10.331  553.758 17.628  -8.402832      20.43207  
1 1 1 -9  17  6  o 457.076 6.9472  113233.20  3439.29  110540.90  4440.04  117271.90  5438.13  451.478 9.0799  464.885 10.800  -13.40714      14.10990  
1 1 1 -9  17  7  f 88.007  2.9944  4195.14    285.433  4056.51    483.499  4269.30    353.631  86.371  5.1925  88.778  3.6777  -2.407089      6.363010  
1 1 1 -9  17  8  f 523.370 10.030  148629.41  5685.86  151273.09  6964.39  143345.00  9846.34  527.760 12.184  512.923 17.724  14.83685       21.50738  
1 1 1 -9  17  9  o 260.040 4.6589  36637.29   1312.19  36853.99   1856.55  36420.99   1854.89  260.747 6.5738  259.209 6.6069  1.537506       9.320203  
1 1 1 -9  17  10 o 498.595 8.3378  134866.20  4502.66  130937.10  6367.80  138795.20  6367.65  490.818 11.978  505.384 11.633  -14.56573      16.69748  
1 1 1 -9  17  11 o 329.756 6.6541  58966.38   2376.57  57714.16   4123.30  59589.33   2908.25  325.784 11.685  331.387 8.1026  -5.602478      14.21976  
1 1 1 -9  17  12 o 148.268 3.7676  11911.18   605.036  11963.55   741.864  11807.17   1045.56  148.575 4.6101  147.544 6.5427  1.030914       8.003750  
1 1 1 -9  17  13 o 148.308 3.1995  11916.90   513.948  11974.13   732.411  11861.38   721.380  148.630 4.5496  147.930 4.5023  0.7000275      6.400786  
1 1 1 -9  17  14 o 90.501  2.8801  4437.39    282.312  3931.90    402.218  4928.23    396.345  85.054  4.3810  95.359  3.8374  -10.30530      5.824043  
1 1 1 -9  17  15 o 308.568 5.4096  51651.93   1807.96  53565.97   3611.99  51012.06   2088.41  313.465 10.639  306.559 6.2897  6.906311       12.35888  
1 1 1 -9  17  16 o 389.850 7.0646  82584.06   2983.00  75064.69   8335.76  83688.43   3194.55  366.282 21.101  392.361 7.5172  -26.07828      22.39990  
1 1 1 -9  17  17 o 99.586  2.9492  5374.28    318.103  5222.72    613.249  5430.07    372.073  97.908  5.8089  100.090 3.4322  -2.181816      6.747098  
1 1 1 -9  17  18 o 205.425 4.1135  22885.54   915.242  21271.10   2283.44  23194.54   999.000  196.955 10.745  206.782 4.4605  -9.826813      11.63381  
1 1 1 -9  17  19 o 196.573 3.8872  20955.35   827.620  21688.04   1649.04  20708.66   956.857  199.583 7.6284  195.364 4.5220  4.218826       8.868014  
1 1 1 -9  17  20 o 84.516  2.7454  3871.44    251.310  4092.40    398.399  3725.42    323.875  86.846  4.2354  82.882  3.6078  3.963417       5.563754  
1 1 1 -9  17  21 o 30.779  5.9298  532.633    190.511  743.383    367.113  454.960    222.870  36.174  9.3140  28.352  7.2340  7.822227       11.79329  
1 1 1 -9  17  22 f 145.013 3.4137  11409.55   536.166  11374.85   1035.90  11422.25   626.631  144.420 6.6225  145.044 3.9888  -0.6247406     7.730972  
1 1 1 -9  17  23 o 148.750 3.3768  12012.37   544.038  12497.62   1082.99  11848.58   629.189  151.196 6.6133  147.667 3.9339  3.528519       7.694864  
1 1 1 -9  17  24 o 59.230  3.4304  1912.92    219.128  2675.12    433.934  1652.02    253.876  69.698  5.8009  54.913  4.3029  14.78477       7.222551  
1 1 1 -9  17  25 o 105.869 2.9832  6092.24    342.073  6672.59    730.773  5929.39    387.102  109.977 6.1597  104.384 3.4239  5.592682       7.047370  
1 1 1 -9  17  26 o 61.271  3.6446  2054.33    240.779  1734.08    515.031  2143.90    272.377  54.813  8.9867  62.524  4.0437  -7.711174      9.854597  
1 1 1 -9  17  27 o 63.392  3.8293  2204.65    261.686  2518.82    519.157  2097.64    302.994  66.701  7.3056  61.659  4.5695  5.042366       8.616971  
1 1 1 -9  17  28 o 84.507  2.8402  3892.07    259.960  3800.72    541.544  3919.42    296.335  82.361  6.1144  84.725  3.2293  -2.363770      6.914750  
1 1 1 -9  17  29 o 80.162  3.4509  3520.46    299.615  3934.75    598.690  3382.03    346.070  83.199  6.7006  78.285  4.0957  4.914345       7.853186  
1 1 1 -9  17  30 o 123.775 3.3461  8408.80    448.576  8618.75    888.612  8337.00    519.647  122.710 6.7114  122.951 3.9022  -0.2411270     7.763350  
1 1 1 -9  17  31 o 74.780  3.6013  3084.40    291.681  3387.60    579.994  2981.76    337.460  76.128  7.1166  73.138  4.2787  2.990524       8.303830  
1 1 1 -9  17  32 o 20.223  7.5131  211.111    219.465  255.226    440.110  196.511    253.191  24.570  10.158  20.495  7.9603  4.074614       12.90575  
1 1 1 -9  17  33 o 41.366  2.4406  945.315    108.863  0.0000     0.0000   945.315    108.863  ?       ?       41.366  2.4406  0.000000       2.440564  
1 1 1 -9  17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  18  1  o 353.104 6.1549  67561.88   2353.94  66911.34   2717.11  69519.16   4712.98  351.364 7.1397  357.875 12.159  -6.511414      14.10013  
1 1 1 -9  18  2  o 214.095 3.9756  24829.09   921.888  24495.71   1063.32  25838.18   1849.96  212.644 4.6168  218.325 7.8233  -5.680984      9.083993  
1 1 1 -9  18  3  o 347.156 5.8763  65302.23   2209.53  62675.17   2550.34  73208.41   4424.31  340.065 6.9241  367.312 11.121  -27.24631      13.10032  
1 1 1 -9  18  4  o 316.791 5.5270  54375.18   1896.42  53695.10   2188.96  56421.67   3797.18  314.777 6.4204  322.469 10.872  -7.692474      12.62613  
1 1 1 -9  18  5  o 291.941 5.1918  46176.88   1641.64  45366.01   1894.94  48616.32   3286.75  289.343 6.0466  299.365 10.137  -10.02139      11.80313  
1 1 1 -9  18  6  o 202.143 4.4450  22136.38   973.197  21743.13   1680.08  22334.96   1193.89  200.270 7.7454  203.031 5.4292  -2.760986      9.458724  
1 1 1 -9  18  7  f 457.660 8.5297  113581.30  4228.14  104288.80  7320.17  118233.60  5179.52  437.875 15.435  466.801 10.244  -28.92627      18.52516  
1 1 1 -9  18  8  o 608.335 11.338  200924.41  7470.60  207398.70  9150.47  187983.41  12936.96 617.700 13.677  586.760 20.356  30.94086       24.52446  
1 1 1 -9  18  9  o 149.823 3.1675  12158.90   514.001  11563.59   731.280  12740.17   722.612  146.091 4.6216  153.347 4.3507  -7.256439      6.347258  
1 1 1 -9  18  10 o 342.854 5.8791  63716.88   2183.17  64627.69   3087.90  62806.58   3087.03  345.143 8.2603  340.237 8.3770  4.906250       11.76464  
1 1 1 -9  18  11 o 401.080 7.9125  87286.10   3437.26  79825.75   5955.35  91012.84   4209.12  382.705 14.367  409.378 9.4929  -26.67322      17.22010  
1 1 1 -9  18  12 o 233.495 4.9901  29552.36   1261.98  28335.20   1545.51  31987.65   2186.11  228.576 6.2427  242.727 8.3154  -14.15068      10.39792  
1 1 1 -9  18  13 o 33.374  4.1759  613.082    147.642  507.929    210.573  714.761    207.065  30.010  6.6531  35.893  5.5018  -5.883057      8.633260  
1 1 1 -9  18  14 o 95.085  2.8306  4898.31    291.514  4728.37    414.667  5064.37    409.901  93.399  4.0991  96.665  3.9151  -3.265236      5.668355  
1 1 1 -9  18  15 o 501.194 8.3584  136599.59  4537.31  125315.60  9072.14  140363.59  5239.72  476.691 17.571  507.738 9.5279  -31.04700      19.98825  
1 1 1 -9  18  16 o 293.145 5.5678  46636.32   1767.81  46698.84   4778.91  46626.41   1902.79  290.979 15.216  293.065 5.9946  -2.085266      16.35449  
1 1 1 -9  18  17 o 236.210 4.6228  30265.11   1182.69  31064.05   2215.79  29946.81   1398.58  238.835 8.5656  234.885 5.4975  3.950073       10.17802  
1 1 1 -9  18  18 o 102.140 2.8899  5653.80    319.702  5341.43    654.333  5751.75    366.415  98.968  6.1345  103.011 3.2841  -4.042519      6.958263  
1 1 1 -9  18  19 o 167.578 3.5138  15225.64   637.764  16805.89   1272.80  14695.87   736.954  175.793 6.6848  164.600 4.1337  11.19324       7.859648  
1 1 1 -9  18  20 o 95.315  3.0480  4924.99    314.659  5283.43    624.537  4803.05    364.271  98.411  5.8863  94.110  3.5737  4.301857       6.886185  
1 1 1 -9  18  21 o 106.552 3.0669  6155.92    353.937  7140.91    673.302  5779.79    416.060  114.612 5.4239  103.216 3.7217  11.39606       6.577945  
1 1 1 -9  18  22 o 47.484  2.1761  1222.01    111.919  1360.84    399.830  1210.21    116.580  49.309  7.7415  47.252  2.2779  2.056328       8.069692  
1 1 1 -9  18  23 o 131.678 3.2072  9411.72    457.412  9787.99    901.166  9281.13    530.883  133.861 6.2155  130.707 3.7500  3.154907       7.259166  
1 1 1 -9  18  24 o 182.464 3.7419  18107.96   739.495  19286.64   1469.77  17708.45   855.692  187.202 7.2488  180.296 4.3819  6.906311       8.470334  
1 1 1 -9  18  25 o 94.316  2.8920  4834.42    295.431  5864.81    662.575  4578.73    330.057  103.131 5.9570  91.737  3.3218  11.39410       6.820620  
1 1 1 -9  18  26 o 96.332  3.2306  5053.37    337.075  5043.61    679.567  5056.55    388.195  95.185  6.6331  96.275  3.7228  -1.090614      7.606393  
1 1 1 -9  18  27 o 63.006  3.8429  2178.56    260.998  2502.22    516.812  2067.76    302.392  66.463  7.2996  61.203  4.5953  5.260105       8.625558  
1 1 1 -9  18  28 o 7.0101  2.6460  19.286     27.440   18.529     27.639   71.255     229.071  6.9746  2.6501  17.908  7.3582  -10.93310      7.820913  
1 1 1 -9  18  29 o 25.037  7.3569  365.415    212.692  547.302    438.510  309.461    243.217  30.856  10.722  23.700  7.9925  7.156084       13.37332  
1 1 1 -9  18  30 o 46.654  5.0225  1227.62    249.789  861.226    487.784  1357.86    290.814  36.651  11.229  48.866  5.5955  -12.21535      12.54558  
1 1 1 -9  18  31 o 47.143  2.1099  1211.33    107.734  1247.62    116.212  989.493    287.335  47.824  2.2435  41.006  6.7010  6.818199       7.066614  
1 1 1 -9  18  32 o 22.164  7.6630  284.835    223.842  701.928    463.344  157.856    255.655  32.083  11.029  19.702  7.8902  12.38150       13.56064  
1 1 1 -9  18  33 o 21.285  8.1460  254.161    262.332  0.0000     0.0000   254.161    262.332  ?       ?       21.285  8.1460  0.000000       8.145967  
1 1 1 -9  18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  19  1  o 487.972 7.7630  129075.60  4102.94  126493.60  4736.68  136834.20  8210.99  482.984 9.0546  501.759 15.109  -18.77432      17.61429  
1 1 1 -9  19  2  o 384.671 6.3474  80185.68   2644.57  77286.48   3052.57  88908.75   5294.95  377.607 7.4637  404.715 12.079  -27.10855      14.19919  
1 1 1 -9  19  3  o 229.051 4.1927  28420.24   1040.15  27794.18   1199.93  30312.74   2086.25  226.503 4.8912  236.462 8.1458  -9.959152      9.501460  
1 1 1 -9  19  4  o 105.886 2.8776  6072.58    330.016  6507.15    379.581  4726.91    667.952  109.607 3.1974  93.154  6.6642  16.45272       7.391564  
1 1 1 -9  19  5  o 512.442 7.6685  142350.91  4256.22  141585.09  5494.60  143499.70  6729.95  510.890 9.9298  514.128 12.086  -3.237183      15.64172  
1 1 1 -9  19  6  o 585.044 11.060  185761.41  7008.14  181167.70  12135.96 188059.70  8584.06  576.467 19.437  588.345 13.471  -11.87799      23.64861  
1 1 1 -9  19  7  o 534.046 12.586  154913.00  7279.84  157186.41  10295.62 152639.91  10294.87 537.173 17.696  529.301 17.958  7.871826       25.21136  
1 1 1 -9  19  8  o 248.151 5.1534  33366.17   1385.10  33892.10   1697.76  32319.37   2395.21  250.066 6.2683  244.089 9.0600  5.977539       11.01702  
1 1 1 -9  19  9  o 679.174 11.164  250529.80  8212.34  248889.30  11613.98 252170.30  11614.02 675.951 15.863  680.418 15.759  -4.466675      22.36072  
1 1 1 -9  19  10 o 569.329 9.3349  175956.30  5756.30  171755.80  8141.05  180156.00  8140.23  561.786 13.379  575.426 13.061  -13.64026      18.69762  
1 1 1 -9  19  11 o 225.936 4.9181  27666.15   1203.52  24238.68   2087.92  29371.64   1472.82  211.278 9.1241  232.759 5.8422  -21.48067      10.83417  
1 1 1 -9  19  12 o 537.661 10.401  157198.00  6057.04  156479.50  7418.33  158634.91  10491.08 535.868 12.781  537.907 18.007  -2.038208      22.08209  
1 1 1 -9  19  13 o 252.391 4.8444  34534.66   1324.30  34769.09   2024.14  34359.21   1751.09  253.067 7.3847  251.647 6.4246  1.419861       9.788253  
1 1 1 -9  19  14 o 124.139 3.0123  8349.58    405.021  8086.51    573.972  8610.49    571.606  122.135 4.3389  126.035 4.1873  -3.899223      6.029897  
1 1 1 -9  19  15 o 140.605 3.2732  10713.29   498.471  10825.26   961.202  10672.11   582.992  141.215 6.2844  140.318 3.8360  0.8978271      7.362630  
1 1 1 -9  19  16 o 428.552 7.9267  99892.34   3679.29  105833.50  10372.50 99037.20   3935.18  434.268 22.126  426.571 8.5173  7.697021       23.70844  
1 1 1 -9  19  17 o 119.181 3.0418  7697.71    392.653  8470.02    774.954  7430.96    455.443  124.904 5.7284  117.081 3.5915  7.822372       6.761147  
1 1 1 -9  19  18 o 147.787 3.3287  11839.26   532.829  12935.25   1056.72  11465.60   617.008  154.287 6.3235  145.410 3.9176  8.876968       7.438760  
1 1 1 -9  19  19 o 199.551 3.8537  21595.36   832.911  19599.37   1656.71  22270.51   963.535  189.654 8.0652  202.604 4.3909  -12.94986      9.182981  
1 1 1 -9  19  20 o 101.837 3.0727  5622.25    338.919  5897.15    671.316  5528.21    392.630  103.973 5.9865  100.962 3.5905  3.010902       6.980692  
1 1 1 -9  19  21 o 276.057 4.9894  41406.83   1491.82  44414.95   2982.33  40402.96   1722.85  284.616 9.6745  272.524 5.8368  12.09152       11.29881  
1 1 1 -9  19  22 o 50.379  3.8676  1386.01    209.424  1276.24    408.304  1425.19    243.959  47.620  8.2131  51.021  4.4594  -3.401672      9.345634  
1 1 1 -9  19  23 o 140.501 3.3229  10717.76   505.675  10136.75   1087.92  10877.88   571.119  135.755 7.4271  141.500 3.7265  -5.744705      8.309538  
1 1 1 -9  19  24 o 160.062 3.4464  13926.88   597.482  13412.89   1189.20  14100.44   691.032  156.153 7.0313  160.958 3.9638  -4.805298      8.071633  
1 1 1 -9  19  25 o 93.476  3.0461  4750.85    308.399  5450.08    655.124  4551.79    349.553  99.340  6.1185  91.434  3.5297  7.906494       7.063633  
1 1 1 -9  19  26 o 109.289 3.2119  6504.15    380.198  7073.43    765.519  6317.75    438.042  112.932 6.2833  107.602 3.7586  5.329857       7.321710  
1 1 1 -9  19  27 o 60.657  2.4409  2000.51    160.365  2122.68    195.032  1745.51    281.777  62.433  2.8842  56.177  4.6734  6.255653       5.491750  
1 1 1 -9  19  28 o 42.268  4.9917  999.830    224.113  1145.69    457.723  953.836    257.030  43.528  9.9285  40.992  5.9640  2.536297       11.58209  
1 1 1 -9  19  29 o 40.075  5.2958  908.338    224.234  1198.62    461.512  818.635    256.552  44.185  9.8903  37.602  6.5366  6.582539       11.85514  
1 1 1 -9  19  30 o 80.634  3.5735  3576.81    312.093  3414.94    608.905  3634.48    363.465  76.543  7.4387  80.959  4.1591  -4.416595      8.522437  
1 1 1 -9  19  31 o 41.454  2.1051  939.043    94.207   940.975    99.912   923.553    282.849  41.473  2.2324  39.495  6.8612  1.978786       7.215233  
1 1 1 -9  19  32 o 40.653  1.5698  899.502    69.119   -39.3407   495.186  918.157    69.803   21.853  9.8614  41.072  1.5691  -19.21876      9.985481  
1 1 1 -9  19  33 o 40.398  8.2561  1077.75    349.051  0.0000     0.0000   1077.75    349.051  ?       ?       40.398  8.2561  0.000000       8.256129  
1 1 1 -9  19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  20  1  o 369.652 6.1447  74043.95   2460.18  71014.84   2839.53  83163.13   4926.81  361.969 7.2428  391.449 11.620  -29.47983      13.69272  
1 1 1 -9  20  2  o 394.307 6.6407  84259.50   2836.10  81317.34   3273.72  93110.54   5678.13  387.310 7.8039  414.113 12.659  -26.80356      14.87157  
1 1 1 -9  20  3  o 189.666 4.1538  19486.83   853.298  19462.62   943.328  19595.80   2001.43  189.542 4.5950  189.824 9.7677  -0.2821350     10.79456  
1 1 1 -9  20  4  o 581.643 9.7907  183503.91  6167.95  192398.41  7121.77  156809.09  12337.82 595.444 11.043  536.095 21.248  59.34906       23.94654  
1 1 1 -9  20  5  o 451.893 8.5116  110727.00  4165.96  101468.00  7211.76  115364.00  5103.62  431.975 15.414  461.132 10.218  -29.15738      18.49337  
1 1 1 -9  20  6  o 773.436 14.517  325190.69  12160.67 311781.41  21060.59 331897.50  14894.54 754.248 25.780  780.672 17.615  -26.42358      31.22362  
1 1 1 -9  20  7  o 287.573 5.9235  44815.69   1845.00  44029.11   2260.84  46383.91   3192.29  284.988 7.3244  292.375 10.081  -7.387085      12.46069  
1 1 1 -9  20  8  o 506.618 8.4403  139204.50  4631.37  139993.09  6549.71  138416.00  6549.78  507.673 11.912  504.797 11.980  2.876404       16.89362  
1 1 1 -9  20  9  o 205.151 3.8797  22800.54   862.058  22566.91   1219.87  23033.62   1218.40  204.059 5.5193  206.160 5.4565  -2.101044      7.761239  
1 1 1 -9  20  10 o 213.315 3.8891  24653.01   898.546  24804.43   1271.81  24502.10   1269.66  213.923 5.4890  212.615 5.5135  1.308502       7.779944  
1 1 1 -9  20  11 o 393.081 7.7429  83843.51   3296.54  82954.25   5710.93  84287.87   4037.02  390.199 13.513  393.929 9.4618  -3.729950      16.49623  
1 1 1 -9  20  12 o 542.521 10.441  160082.30  6135.20  158345.50  7514.00  163556.09  10626.65 538.968 12.872  546.079 17.967  -7.110962      22.10177  
1 1 1 -9  20  13 o 342.093 5.9306  63481.71   2197.42  60391.20   3108.61  66568.28   3106.62  333.356 8.6097  350.047 8.1939  -16.69113      11.88560  
1 1 1 -9  20  14 o 135.175 3.1842  9900.87    466.194  9890.03    662.213  9911.51    656.422  135.063 4.5268  135.211 4.4823  -0.1480408     6.370468  
1 1 1 -9  20  15 o 283.239 5.8333  43536.64   1789.53  43945.87   3099.24  43331.96   2191.82  283.978 10.076  282.422 7.1653  1.556061       12.36421  
1 1 1 -9  20  16 o 143.245 3.3275  11120.80   516.259  11375.93   1136.62  11054.49   579.482  144.485 7.2866  142.803 3.7466  1.682388       8.193336  
1 1 1 -9  20  17 o 78.043  2.9566  3300.68    249.913  3582.25    495.415  3204.56    289.439  81.032  5.6806  76.888  3.4756  4.143883       6.659519  
1 1 1 -9  20  18 o 58.320  3.3591  1849.81    211.282  2149.24    415.911  1745.67    245.289  62.588  6.2176  56.594  4.0280  5.994469       7.408340  
1 1 1 -9  20  19 o 286.870 5.1157  44679.22   1589.50  43013.32   3176.64  45235.63   1835.85  280.351 10.462  288.535 5.8745  -8.184204      11.99803  
1 1 1 -9  20  20 f 355.566 6.1470  68759.32   2367.32  64719.78   4732.27  70107.63   2734.00  342.565 12.754  358.799 7.0352  -16.23428      14.56594  
1 1 1 -9  20  21 o 242.998 4.7420  32075.58   1248.06  30047.77   3247.99  32426.86   1351.85  232.577 12.945  244.265 5.1097  -11.68878      13.91698  
1 1 1 -9  20  22 f 130.655 3.2166  9261.33    455.194  10479.87   906.464  8850.44    526.374  138.671 6.0352  127.678 3.8064  10.99310       7.135300  
1 1 1 -9  20  23 o 79.583  3.0212  3437.37    260.418  3461.03    525.631  3429.68    299.799  79.351  6.1642  79.465  3.4832  -0.1142883     7.080310  
1 1 1 -9  20  24 o 66.553  3.2529  2407.03    234.484  2328.74    457.646  2434.90    273.047  64.790  6.6143  66.790  3.7901  -2.000168      7.623278  
1 1 1 -9  20  25 o 58.736  3.7276  1887.18    235.911  1945.52    499.565  1870.43    267.633  58.598  8.0866  58.385  4.2617  0.2133293      9.140890  
1 1 1 -9  20  26 o 72.497  2.3588  2854.93    185.219  2812.92    293.878  2882.60    238.566  71.692  3.7982  72.777  3.0265  -1.084923      4.856539  
1 1 1 -9  20  27 o 49.028  4.3790  1328.89    230.093  1990.27    469.711  1120.07    263.928  59.077  7.5105  44.683  5.5748  14.39471       9.353408  
1 1 1 -9  20  28 o 77.653  3.5157  3298.64    295.696  2888.43    585.100  3439.35    342.677  70.955  7.7389  79.075  4.0143  -8.119507      8.718036  
1 1 1 -9  20  29 o 63.267  2.5208  2181.82    172.740  1419.87    520.360  2276.19    183.125  47.916  10.331  64.605  2.6171  -16.68853      10.65699  
1 1 1 -9  20  30 o 26.766  7.3068  427.785    217.767  1030.87    441.212  233.555    250.390  40.387  10.110  21.728  8.0343  18.65942       12.91350  
1 1 1 -9  20  31 o 44.935  2.0089  1100.08    97.769   1132.07    104.070  859.639    285.310  45.570  2.1085  37.886  7.2165  7.683620       7.518183  
1 1 1 -9  20  32 o 23.917  7.7383  350.174    228.683  14.252     483.355  447.051    259.572  22.122  9.8814  26.597  8.1982  -4.474537      12.83952  
1 1 1 -9  20  33 o 24.753  9.1664  396.949    326.159  0.0000     0.0000   396.949    326.159  ?       ?       24.753  9.1664  0.000000       9.166362  
1 1 1 -9  20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  21  1  o 218.922 4.1043  25961.98   973.195  26242.93   1122.47  25111.40   1953.07  220.094 4.7087  215.212 8.3788  4.881348       9.611228  
1 1 1 -9  21  2  o 797.976 26.450  348787.09  22860.42 348787.09  22860.42 0.0000     0.0000   797.976 26.450  ?       ?       0.000000       26.44991  
1 1 1 -9  21  3  o 365.405 6.3290  72356.20   2504.84  72724.50   2891.52  71248.78   5013.97  366.294 7.2883  362.228 12.780  4.065308       14.71212  
1 1 1 -9  21  4  o 417.490 8.0528  94495.09   3641.33  98032.81   4460.05  87422.89   6306.02  425.129 9.6861  401.068 14.517  24.06070       17.45148  
1 1 1 -9  21  5  o 341.011 6.5707  63024.25   2426.88  59144.79   4198.45  64970.95   2974.09  330.074 11.744  346.178 7.9320  -16.10336      14.17155  
1 1 1 -9  21  6  o 514.839 12.158  143935.50  6779.85  146276.20  9588.29  141594.91  9588.04  518.322 17.079  509.915 17.360  8.406799       24.35346  
1 1 1 -9  21  7  o 807.798 15.255  355010.00  13346.80 356222.69  16346.93 352585.19  23115.91 808.254 18.673  801.282 26.635  6.971863       32.52874  
1 1 1 -9  21  8  o 157.940 3.4514  13512.63   590.411  13436.67   804.375  13601.37   869.340  157.478 4.7159  158.434 5.0661  -0.9562073     6.921352  
1 1 1 -9  21  9  o 415.429 6.9217  93575.23   3114.45  92963.81   4404.42  94186.70   4404.58  413.814 9.8268  416.534 9.7630  -2.719421      13.85220  
1 1 1 -9  21  10 o 179.560 3.5575  17467.06   691.878  16920.01   977.479  18016.32   979.451  176.691 5.1077  182.329 4.9597  -5.638382      7.119499  
1 1 1 -9  21  11 o 247.213 5.1860  33127.24   1388.59  30638.43   2405.50  34371.03   1700.53  237.498 9.3514  251.759 6.2363  -14.26114      11.24010  
1 1 1 -9  21  12 o 129.224 3.4827  9047.85    487.458  8002.58    592.455  11238.32   857.647  121.511 4.5016  143.966 5.5002  -22.45578      7.107517  
1 1 1 -9  21  13 o 125.126 3.0606  8482.69    414.783  8069.17    589.097  8889.24    584.117  122.007 4.4579  128.063 4.2112  -6.056435      6.132465  
1 1 1 -9  21  14 o 198.424 3.8284  21339.41   822.774  22142.56   1165.59  20541.79   1161.58  202.047 5.3263  194.596 5.5112  7.451172       7.664343  
1 1 1 -9  21  15 o 201.451 3.9321  21998.95   857.955  21500.30   1215.11  22494.68   1211.56  199.052 5.6361  203.614 5.4937  -4.561188      7.870628  
1 1 1 -9  21  16 o 213.064 4.3442  24617.24   1002.51  25859.74   2553.67  24390.86   1090.01  217.618 10.834  212.055 4.7458  5.563339       11.82813  
1 1 1 -9  21  17 o 202.600 4.1816  22259.63   917.606  22526.45   2300.54  22209.15   1000.65  202.807 10.509  202.344 4.5659  0.4633331      11.45816  
1 1 1 -9  21  18 o 346.854 6.0154  65357.20   2259.84  65669.43   4518.50  65253.05   2609.67  346.053 12.055  346.395 6.9557  -0.3417664     13.91814  
1 1 1 -9  21  19 o 157.942 3.4097  13524.76   583.288  14102.10   1163.18  13330.80   674.180  161.019 6.6696  156.774 3.9704  4.245453       7.761928  
1 1 1 -9  21  20 o 145.384 3.3265  11460.99   523.813  12487.51   1036.07  11108.51   607.121  151.506 6.3138  143.096 3.9172  8.410461       7.430215  
1 1 1 -9  21  21 o 226.300 4.2558  27803.90   1043.12  27471.14   2083.11  27915.27   1205.10  224.078 8.5831  226.659 4.9088  -2.580551      9.887671  
1 1 1 -9  21  22 o 200.308 3.9335  21789.26   853.391  22797.40   1704.64  21452.08   985.824  204.088 7.7116  198.654 4.5817  5.433609       8.970025  
1 1 1 -9  21  23 o 65.506  3.3986  2336.65    240.298  3117.24    460.514  2044.59    281.687  75.360  5.6838  61.159  4.2794  14.20136       7.114710  
1 1 1 -9  21  24 o 63.968  2.5375  2220.79    175.809  2256.14    229.171  2170.23    274.073  64.343  3.2995  63.003  4.0376  1.339565       5.214341  
1 1 1 -9  21  25 o 188.145 4.0959  19314.59   834.660  21275.24   2019.19  18910.53   916.639  194.231 9.5982  186.004 4.5499  8.226349       10.62200  
1 1 1 -9  21  26 o 79.215  2.8136  3413.07    241.402  3919.39    580.415  3307.16    265.450  83.890  6.4370  77.934  3.1447  5.956245       7.164074  
1 1 1 -9  21  27 o 89.948  2.9446  4407.83    286.867  4816.40    643.016  4306.30    320.533  92.777  6.4388  88.831  3.3315  3.945915       7.249640  
1 1 1 -9  21  28 o 49.197  4.5440  1343.92    239.396  1563.45    476.673  1269.87    276.843  51.482  8.8687  47.546  5.4759  3.936371       10.42301  
1 1 1 -9  21  29 o 20.890  7.3429  226.906    205.939  343.478    423.520  190.807    235.678  26.914  10.338  20.563  7.7564  6.350309       12.92459  
1 1 1 -9  21  30 o 64.127  2.6663  2247.14    185.192  2232.77    234.302  2271.07    302.309  63.654  3.4109  63.837  4.3991  -0.1837959     5.566516  
1 1 1 -9  21  31 o 65.835  2.7078  2373.52    193.087  2460.50    239.921  2213.62    325.305  66.847  3.3137  62.661  4.8304  4.185795       5.857822  
1 1 1 -9  21  32 o 20.414  7.7003  215.452    232.292  588.247    477.421  99.825     265.887  29.749  11.075  18.729  7.8319  11.01963       13.56484  
1 1 1 -9  21  33 o 15.828  7.3767  -167.7782  309.247  0.0000     0.0000   -167.7782  309.247  ?       ?       15.828  7.3767  0.000000       7.376738  
1 1 1 -9  21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  22  1  o 552.135 15.175  165722.80  9074.87  156653.50  16713.32 169514.41  10806.62 533.370 29.040  558.005 17.881  -24.63477      34.10370  
1 1 1 -9  22  2  o 165.773 3.3033  14884.95   593.100  14412.15   682.993  16334.79   1196.03  163.114 3.8659  173.616 6.3603  -10.50270      7.443067  
1 1 1 -9  22  3  o 352.400 7.0280  67309.23   2682.49  67720.47   3283.28  66483.62   4652.14  353.403 8.5776  349.934 12.274  3.469513       14.97447  
1 1 1 -9  22  4  f 402.199 7.8977  87698.59   3440.44  87900.48   5955.57  87597.48   4214.88  402.229 13.670  401.858 9.6837  0.3703613      16.75272  
1 1 1 -9  22  5  f 198.161 4.1845  21272.14   898.109  19824.53   1546.28  22009.12   1103.29  191.233 7.4654  201.549 5.0540  -10.31604      9.015279  
1 1 1 -9  22  6  o 257.527 5.2788  35934.89   1472.41  36974.34   1804.51  33864.20   2546.92  261.194 6.3786  249.854 9.4115  11.33987       11.36941  
1 1 1 -9  22  7  o 95.939  3.0172  4985.50    313.520  5905.06    385.566  3190.86    538.636  104.410 3.4095  76.445  6.5693  27.96500       7.401354  
1 1 1 -9  22  8  o 647.921 10.679  227939.50  7493.86  219298.70  10597.42 236581.91  10598.40 634.623 15.417  659.288 14.842  -24.66467      21.40063  
1 1 1 -9  22  9  o 96.445  2.7109  5038.35    283.183  5488.16    400.429  4588.32    400.534  100.650 3.6732  92.027  4.0184  8.623772       5.444249  
1 1 1 -9  22  10 o 370.889 6.1502  74581.58   2470.62  73477.05   3494.32  75685.70   3493.67  367.912 8.7690  373.414 8.6382  -5.501617      12.30903  
1 1 1 -9  22  11 o 391.561 7.7370  83209.05   3281.28  78865.41   5685.06  85378.92   4018.13  380.318 13.801  396.438 9.3579  -16.12024      16.67468  
1 1 1 -9  22  12 o 375.045 7.3860  76350.99   3000.27  75868.05   3675.21  77315.86   5194.83  373.636 9.0816  376.547 12.737  -2.911621      15.64346  
1 1 1 -9  22  13 o 336.935 5.8571  61585.43   2137.47  58395.98   3023.23  64773.23   3022.45  327.782 8.5156  345.278 8.0820  -17.49634      11.74031  
1 1 1 -9  22  14 o 81.404  2.6308  3590.10    231.959  3649.22    301.723  3504.67    362.714  82.061  3.3947  80.297  4.1850  1.764328       5.388742  
1 1 1 -9  22  15 o 62.884  2.4486  2142.34    166.773  2117.44    200.027  2199.12    302.048  62.512  2.9543  63.531  4.4170  -1.019249      5.313924  
1 1 1 -9  22  16 o 99.726  2.7934  5388.88    301.729  5216.46    551.971  5462.36    360.330  97.910  5.2239  100.392 3.3138  -2.481918      6.186304  
1 1 1 -9  22  17 o 163.850 3.5724  14553.67   633.981  13652.09   1478.51  14756.79   701.772  158.070 8.6689  164.972 3.9275  -6.902328      9.517135  
1 1 1 -9  22  18 o 211.681 4.2374  24304.44   971.510  22463.37   2451.49  24647.45   1058.15  202.249 11.235  213.141 4.5836  -10.89226      12.13440  
1 1 1 -9  22  19 o 56.823  1.9581  1749.25    120.510  1774.83    184.888  1730.36    158.903  57.144  2.9977  56.507  2.5963  0.6367264      3.965750  
1 1 1 -9  22  20 o 178.330 3.8506  17251.77   743.746  17554.23   1780.17  17187.81   818.616  178.933 9.2167  177.966 4.2469  0.9670715      10.14812  
1 1 1 -9  22  21 o 136.291 3.3361  10075.41   492.470  11534.64   1062.52  9676.16    555.772  145.472 6.7435  133.529 3.8428  11.94344       7.761587  
1 1 1 -9  22  22 o 95.820  3.0412  4980.81    315.627  5347.93    624.169  4854.69    365.850  98.890  5.8535  94.569  3.5718  4.321457       6.857206  
1 1 1 -9  22  23 o 92.224  3.0418  4616.95    303.843  5116.25    600.623  4445.22    352.239  96.621  5.7656  90.451  3.5955  6.170441       6.794802  
1 1 1 -9  22  24 o 57.811  3.4388  1823.79    214.353  1702.77    417.628  1867.07    249.761  55.145  7.1613  58.423  3.9706  -3.277878      8.188378  
1 1 1 -9  22  25 o 147.881 3.3830  11905.21   541.850  12714.60   1091.89  11640.76   624.122  151.698 6.6455  146.092 3.9443  5.605759       7.727909  
1 1 1 -9  22  26 o 56.427  3.9457  1747.62    239.627  1899.12    490.792  1700.21    274.580  57.677  8.0780  55.518  4.6080  2.159286       9.299910  
1 1 1 -9  22  27 o 83.520  3.3052  3806.73    298.994  3685.07    605.849  3845.90    343.774  80.843  6.9878  83.849  3.7853  -3.006615      7.947239  
1 1 1 -9  22  28 o 19.761  7.2254  184.694    201.626  529.769    411.793  75.881     231.240  30.539  10.399  18.044  7.4011  12.49578       12.76403  
1 1 1 -9  22  29 o 53.761  2.3631  1574.44    137.600  1601.59    159.160  1494.09    273.793  54.103  2.7248  51.641  4.9559  2.462440       5.655607  
1 1 1 -9  22  30 o 40.114  2.5167  881.867    108.789  794.669    119.150  1318.86    266.734  37.991  2.9179  48.276  5.1824  -10.28440      5.947382  
1 1 1 -9  22  31 o 23.778  7.7762  331.579    230.637  328.851    474.180  332.424    263.965  26.619  10.715  24.084  8.3218  2.534849       13.56736  
1 1 1 -9  22  32 o 23.170  7.8333  324.979    233.634  258.568    482.585  345.310    267.011  24.800  10.471  23.897  8.3633  0.9030056      13.40096  
1 1 1 -9  22  33 o 31.323  9.2241  688.531    334.030  0.0000     0.0000   688.531    334.030  ?       ?       31.323  9.2241  0.000000       9.224068  
1 1 1 -9  22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  23  1  o 386.457 7.6208  80959.79   3189.87  81316.81   3904.13  80242.83   5532.54  387.215 9.3090  384.358 13.290  2.857300       16.22577  
1 1 1 -9  23  2  o 372.546 7.2186  75228.91   2912.77  73417.11   3564.55  78869.95   5053.16  367.945 8.9444  381.139 12.241  -13.19333      15.16045  
1 1 1 -9  23  3  f 211.246 3.8590  24173.01   882.952  24973.87   1246.20  23365.76   1251.17  214.692 5.3593  207.660 5.5628  7.031174       7.724404  
1 1 1 -9  23  4  f 315.409 6.2145  53911.96   2123.00  52848.44   3672.29  54445.84   2601.85  312.062 10.865  316.914 7.5800  -4.851379      13.24775  
1 1 1 -9  23  5  o 509.667 12.017  141049.09  6633.80  136019.70  9381.22  146079.30  9382.00  499.780 17.330  518.030 16.721  -18.25018      24.08208  
1 1 1 -9  23  6  o 467.462 9.0523  118529.80  4583.25  114784.00  5613.85  126017.00  7936.88  459.814 11.272  481.296 15.225  -21.48267      18.94395  
1 1 1 -9  23  7  o 498.623 8.4121  134846.30  4543.05  134842.41  6424.51  134850.30  6425.19  498.240 11.905  498.254 11.906  -0.1437378E-01 16.83694  
1 1 1 -9  23  8  o 348.540 5.8787  65842.53   2219.25  62987.39   3137.96  68699.61   3139.01  340.744 8.5025  355.885 8.1435  -15.14111      11.77329  
1 1 1 -9  23  9  o 770.978 12.688  323341.00  10594.87 319998.31  14983.09 326684.09  14983.73 765.232 18.077  773.256 17.891  -8.024231      25.43368  
1 1 1 -9  23  10 o 410.488 6.8283  91387.57   3035.89  88397.79   4292.88  94378.79   4293.91  403.397 9.8253  416.861 9.5103  -13.46399      13.67412  
1 1 1 -9  23  11 o 357.671 7.0950  69410.35   2748.57  70442.09   4766.54  68896.39   3364.22  359.653 12.236  356.174 8.7207  3.479767       15.02588  
1 1 1 -9  23  12 o 388.165 7.6699  81808.80   3224.61  81989.06   3949.42  81448.35   5584.95  388.342 9.3896  386.295 13.348  2.046722       16.32010  
1 1 1 -9  23  13 o 149.781 3.3009  12156.23   535.508  12300.63   759.385  12013.38   755.278  150.627 4.6547  148.857 4.6846  1.770187       6.603872  
1 1 1 -9  23  14 o 149.925 3.2765  12180.30   532.055  12026.04   754.631  12332.78   750.266  148.925 4.6784  150.816 4.5930  -1.890747      6.556163  
1 1 1 -9  23  15 o 257.641 4.7097  36000.04   1314.24  34807.34   1859.62  37190.20   1857.63  253.138 6.7826  261.686 6.5540  -8.547546      9.431807  
1 1 1 -9  23  16 o 188.200 3.8524  19202.19   785.278  17070.30   1920.92  19629.96   860.463  176.602 10.084  190.266 4.1754  -13.66412      10.91461  
1 1 1 -9  23  17 o 290.840 5.1634  45906.77   1626.52  48750.95   3253.02  44958.70   1878.15  298.824 10.051  287.709 6.0271  11.11493       11.71941  
1 1 1 -9  23  18 o 68.405  3.1455  2536.28    233.050  2939.69    458.038  2395.37    270.710  73.339  5.8139  66.357  3.7822  6.982071       6.935896  
1 1 1 -9  23  19 o 320.556 5.9697  55849.70   2072.66  55990.58   3855.16  55792.43   2458.14  319.530 11.139  320.154 7.0889  -0.6245728     13.20371  
1 1 1 -9  23  20 o 73.847  3.1709  2956.80    253.623  3007.26    499.463  2939.27    294.403  74.085  6.2838  73.519  3.7092  0.5656967      7.296820  
1 1 1 -9  23  21 o 80.638  3.1113  3526.46    271.744  3525.41    536.004  3526.82    315.264  80.220  6.2175  80.623  3.6103  -0.4025574     7.189736  
1 1 1 -9  23  22 o 77.334  3.1131  3244.77    260.758  3264.24    513.954  3238.03    302.597  77.109  6.2064  77.228  3.6176  -0.1188736     7.183761  
1 1 1 -9  23  23 o 191.318 3.7832  19897.00   783.943  20284.04   1564.41  19767.22   905.890  192.107 7.5186  190.569 4.3889  1.537704       8.705873  
1 1 1 -9  23  24 o 48.765  3.7414  1301.80    196.104  1047.02    381.171  1393.51    228.692  42.702  8.5397  50.390  4.2293  -7.688026      9.529621  
1 1 1 -9  23  25 o 71.731  3.3612  2801.19    261.136  3055.04    543.492  2724.99    297.758  74.002  6.8588  70.577  3.9105  3.424919       7.895236  
1 1 1 -9  23  26 f 114.329 3.2110  7120.51    397.623  7046.40    799.084  7144.90    458.404  112.500 6.5867  114.415 3.6991  -1.914764      7.554317  
1 1 1 -9  23  27 o 66.063  2.7333  2376.09    195.578  2641.62    525.718  2333.44    210.701  68.249  7.2216  65.436  2.9729  2.813263       7.809561  
1 1 1 -9  23  28 o 6.6874  2.8663  -2.1192    37.114   -11.9500   37.594   374.820    232.790  6.3233  2.7939  25.498  7.7460  -19.17482      8.234420  
1 1 1 -9  23  29 o 20.537  1.3727  229.881    30.357   233.543    30.623   21.553     230.954  20.700  1.3736  16.894  7.1931  3.806623       7.323044  
1 1 1 -9  23  30 o 80.305  2.5038  3520.72    217.774  3981.26    358.653  3251.76    274.086  84.910  3.8998  76.952  3.2885  7.957558       5.101257  
1 1 1 -9  23  31 o 65.863  3.8694  2413.00    274.820  2194.04    572.829  2478.47    313.222  59.341  9.2112  66.513  4.3722  -7.172142      10.19617  
1 1 1 -9  23  32 o 36.914  1.2949  740.751    51.772   -404.4365  485.458  753.926    52.069   18.388  8.7699  37.241  1.2909  -18.85302      8.864401  
1 1 1 -9  23  33 o 26.507  11.118  440.042    538.212  0.0000     0.0000   440.042    538.212  ?       ?       26.507  11.118  0.000000       11.11755  
1 1 1 -9  23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  24  1  o 428.823 9.3018  99734.91   4320.33  101223.10  4762.33  92815.53   10268.71 431.947 10.179  411.453 23.136  20.49414       25.27653  
1 1 1 -9  24  2  o 752.504 24.969  309994.59  20350.45 0.0000     0.0000   309994.59  20350.45 ?       ?       752.504 24.969  0.000000       24.96865  
1 1 1 -9  24  3  o 581.103 11.006  183264.80  6926.82  175394.50  11994.08 187203.41  8484.83  567.185 19.524  587.019 13.345  -19.83374      23.64918  
1 1 1 -9  24  4  o 376.642 9.0973  76940.36   3711.16  78985.60   5248.38  74895.11   5248.38  381.342 12.707  371.307 13.050  10.03561       18.21474  
1 1 1 -9  24  5  o 517.580 9.7258  145336.59  5452.20  147696.30  6678.42  140621.00  9441.03  521.541 11.823  508.152 17.154  13.38916       20.83318  
1 1 1 -9  24  6  o 114.479 3.1945  7098.80    396.098  7289.75    487.456  6727.66    679.591  116.003 3.8797  111.279 5.6572  4.724739       6.859685  
1 1 1 -9  24  7  o 226.425 4.0841  27774.71   1001.58  26822.60   1414.35  28732.48   1418.56  222.466 5.8698  230.255 5.6881  -7.789444      8.173688  
1 1 1 -9  24  8  o 452.515 7.5075  111051.90  3679.60  109246.90  5203.27  112857.60  5204.22  448.491 10.712  455.863 10.540  -7.372040      15.02780  
1 1 1 -9  24  9  o 603.834 9.8834  198017.20  6463.88  189011.59  9140.78  207024.91  9141.83  589.028 14.328  616.617 13.688  -27.58844      19.81544  
1 1 1 -9  24  10 f 582.866 10.344  184637.80  6530.11  180956.80  8533.95  189837.80  10143.03 576.263 13.673  589.599 15.883  -13.33527      20.95772  
1 1 1 -9  24  11 o 400.009 7.8830  86862.21   3415.31  82901.38   5917.29  88840.81   4182.24  389.764 14.017  404.310 9.5505  -14.54596      16.96125  
1 1 1 -9  24  12 o 651.619 12.494  231594.59  8817.62  228938.50  10799.17 236907.30  15273.02 646.670 15.418  654.471 21.546  -7.801147      26.49436  
1 1 1 -9  24  13 o 650.385 10.778  230475.70  7592.28  227745.09  10737.77 233205.59  10736.45 644.495 15.382  652.271 15.197  -7.776489      21.62341  
1 1 1 -9  24  14 o 202.363 3.9426  22197.13   864.132  21679.44   1226.15  22707.97   1218.02  199.892 5.6634  204.590 5.4967  -4.697937      7.892278  
1 1 1 -9  24  15 o 252.444 4.6407  34561.76   1268.86  33925.43   1797.37  35193.97   1791.53  249.921 6.6400  254.566 6.4976  -4.645569      9.290198  
1 1 1 -9  24  16 o 233.699 5.5279  29643.92   1399.21  30854.16   3080.39  29329.30   1570.59  237.127 12.033  232.383 6.2400  4.743546       13.55490  
1 1 1 -9  24  17 o 383.321 6.5665  79852.74   2726.25  81586.60   5452.13  79274.69   3148.07  385.471 13.059  381.701 7.6147  3.770050       15.11676  
1 1 1 -9  24  18 o 97.976  2.8138  5202.17    298.591  5596.16    624.281  5085.31    340.004  101.346 5.7105  96.858  3.2410  4.488480       6.566149  
1 1 1 -9  24  19 f 121.535 3.1001  8007.11    408.081  7793.29    810.870  8079.63    472.243  119.553 6.2842  122.064 3.5720  -2.511208      7.228384  
1 1 1 -9  24  20 o 49.819  3.8287  1354.35    205.011  1468.16    400.169  1313.85    238.719  51.381  7.4044  48.985  4.5514  2.396294       8.691444  
1 1 1 -9  24  21 o 163.929 3.4979  14579.70   621.051  15144.74   1238.79  14390.01   717.767  166.639 6.8636  162.806 4.0705  3.833435       7.979824  
1 1 1 -9  24  22 o 149.653 3.5055  12158.17   568.198  13156.81   1271.11  11908.79   635.193  154.987 7.5721  148.060 3.9609  6.927094       8.545495  
1 1 1 -9  24  23 o 38.205  2.0333  793.578    83.836   770.833    90.931   922.504    216.488  37.635  2.2409  40.836  4.9991  -3.200237      5.478354  
1 1 1 -9  24  24 o 78.509  2.7072  3347.05    230.200  2715.01    344.307  3857.96    309.561  70.393  4.5401  84.223  3.3935  -13.82999      5.668176  
1 1 1 -9  24  25 o 110.410 3.0211  6630.57    361.282  6891.67    672.056  6524.45    428.458  111.987 5.5407  109.420 3.6153  2.567665       6.615885  
1 1 1 -9  24  26 o 63.119  2.5300  2165.60    172.960  2254.38    217.664  2013.50    284.893  64.336  3.1236  60.484  4.3784  3.852146       5.378427  
1 1 1 -9  24  27 o 81.048  2.8566  3578.27    250.765  3711.41    364.788  3458.98    345.285  82.290  4.0928  79.358  4.0304  2.931633       5.744131  
1 1 1 -9  24  28 o 37.359  2.3162  762.273    93.257   1220.82    360.982  729.480    96.534   45.838  7.5327  36.524  2.4545  9.314064       7.922489  
1 1 1 -9  24  29 o 54.645  4.2792  1658.58    251.243  1618.44    512.788  1671.26    288.206  51.581  9.5296  54.636  4.9232  -3.054741      10.72623  
1 1 1 -9  24  30 o 26.309  2.0026  378.949    56.635   1415.48    472.145  363.817    57.047   47.802  9.4542  25.767  2.0614  22.03529       9.676291  
1 1 1 -9  24  31 o 54.320  4.3481  1656.58    253.670  1001.17    537.032  1844.81    287.801  38.157  11.797  57.180  4.6883  -19.02308      12.69458  
1 1 1 -9  24  32 o 12.351  5.9047  -255.6715  222.786  -36.9292   458.323  -323.3473  254.931  20.870  9.4462  12.847  6.1868  8.023701       11.29191  
1 1 1 -9  24  33 o 33.997  12.076  960.873    558.321  0.0000     0.0000   960.873    558.321  ?       ?       33.997  12.076  0.000000       12.07570  
1 1 1 -9  24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  25  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  25  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  25  4  o 751.720 17.615  307805.81  14341.98 307805.81  14341.98 0.0000     0.0000   751.720 17.615  ?       ?       0.000000       17.61501  
1 1 1 -9  25  5  o 544.574 10.501  160952.20  6194.00  157783.50  7586.76  167286.20  10726.34 538.876 12.999  554.047 17.875  -15.17145      22.10121  
1 1 1 -9  25  6  o 402.266 6.7593  87717.69   2945.00  83256.96   4163.56  92183.96   4166.15  391.694 9.8140  412.199 9.3316  -20.50485      13.54232  
1 1 1 -9  25  7  o 760.526 12.458  314378.59  10262.25 310905.91  14512.63 317851.59  14513.39 754.900 17.750  763.347 17.554  -8.447266      24.96375  
1 1 1 -9  25  8  o 187.753 3.7027  19097.44   752.970  19099.16   1063.23  19095.71   1066.50  187.728 5.2291  187.710 5.2457  0.1737976E-01  7.406812  
1 1 1 -9  25  9  o 416.508 6.9538  94085.40   3137.00  90292.21   4435.82  97880.52   4436.95  407.702 10.045  424.538 9.6493  -16.83633      13.92899  
1 1 1 -9  25  10 o 494.836 8.1985  132915.91  4394.07  126491.50  6213.44  139343.30  6214.86  482.108 11.899  506.122 11.337  -24.01352      16.43542  
1 1 1 -9  25  11 o 634.192 12.074  219105.20  8293.69  230264.59  14367.36 213528.09  10156.85 646.549 20.517  625.066 15.002  21.48370       25.41662  
1 1 1 -9  25  12 o 326.714 6.5582  57924.58   2320.71  59585.72   2843.06  54607.84   4017.35  331.210 7.9252  316.515 11.719  14.69531       14.14692  
1 1 1 -9  25  13 o 236.359 4.3753  30285.28   1120.09  31194.72   1585.89  29380.05   1582.21  239.765 6.1068  232.673 6.2784  7.091614       8.758522  
1 1 1 -9  25  14 o 114.529 3.0458  7107.50    377.828  6923.05    540.356  7283.94    528.501  112.999 4.4151  115.913 4.2096  -2.914047      6.100307  
1 1 1 -9  25  15 f 270.847 4.8634  39790.98   1426.69  39900.42   2019.46  39681.93   2015.84  271.001 6.8801  270.257 6.8867  0.7438354      9.734572  
1 1 1 -9  25  16 o 395.306 6.7481  84915.67   2889.26  84296.66   4087.31  85533.91   4084.75  393.177 9.5980  396.074 9.5218  -2.896362      13.51982  
1 1 1 -9  25  17 f 111.085 2.9803  6687.62    358.577  7166.14    717.588  6528.38    413.965  114.729 5.7935  109.740 3.4828  4.988899       6.759747  
1 1 1 -9  25  18 o 228.715 4.2810  28376.37   1060.50  29350.76   2121.47  28051.76   1224.47  232.048 8.4409  227.336 4.9729  4.711716       9.796868  
1 1 1 -9  25  19 o 130.990 3.1821  9302.23    451.458  8734.16    942.822  9471.23    514.246  126.489 6.9080  132.155 3.5927  -5.666115      7.786373  
1 1 1 -9  25  20 o 162.703 3.4749  14357.65   612.367  15910.35   1221.95  13836.92   707.640  170.942 6.5998  159.680 4.0916  11.26286       7.765229  
1 1 1 -9  25  21 o 192.988 3.8565  20216.48   806.112  20275.68   1603.69  20196.47   932.477  192.611 7.6872  192.817 4.4650  -0.2061157     8.889867  
1 1 1 -9  25  22 o 255.235 4.6784  35439.13   1293.32  33915.38   2583.62  35948.62   1493.98  247.887 9.6229  256.879 5.3696  -8.991730      11.01966  
1 1 1 -9  25  23 o 101.053 3.0126  5544.31    329.736  5665.66    652.739  5502.73    382.069  101.607 5.9573  100.628 3.5055  0.9791260      6.912159  
1 1 1 -9  25  24 o 57.227  3.5917  1789.27    221.492  1540.90    408.694  1892.56    263.552  52.304  7.4226  58.775  4.1671  -6.471210      8.512304  
1 1 1 -9  25  25 o 24.470  7.2617  337.832    206.364  200.254    422.214  381.014    236.544  25.293  10.136  25.974  7.7898  -0.6814747     12.78359  
1 1 1 -9  25  26 o 82.949  3.3782  3751.52    303.502  4033.40    616.536  3661.36    348.675  84.903  6.7605  81.847  3.9332  3.056061       7.821368  
1 1 1 -9  25  27 o 82.617  3.3291  3726.26    297.895  3864.92    616.719  3684.06    340.218  82.778  6.9428  82.042  3.8287  0.7357483      7.928505  
1 1 1 -9  25  28 o 60.768  3.8478  2034.14    251.945  1876.45    528.435  2080.53    286.619  56.325  8.9623  61.320  4.3437  -4.994255      9.959414  
1 1 1 -9  25  29 o 24.124  7.4957  336.443    216.499  959.097    455.977  155.219    245.996  39.056  10.536  19.966  7.8208  19.09024       13.12172  
1 1 1 -9  25  30 o 69.832  3.6550  2694.25    275.486  2984.80    577.399  2608.62    313.466  71.270  7.5970  68.473  4.2477  2.797478       8.703859  
1 1 1 -9  25  31 o 37.387  1.7377  760.796    70.368   941.312    490.567  757.004    71.103   37.254  11.228  37.292  1.7604  -0.3789139E-01 11.36553  
1 1 1 -9  25  32 o 21.491  7.7937  265.654    233.893  96.020     479.887  318.506    267.863  22.558  9.9737  23.093  8.3456  -0.5348873     13.00477  
1 1 1 -9  25  33 o 40.171  13.394  1461.59    683.026  0.0000     0.0000   1461.59    683.026  ?       ?       40.171  13.394  0.000000       13.39386  
1 1 1 -9  25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  26  2  o 700.522 23.273  268412.81  17657.90 268412.81  17657.90 0.0000     0.0000   700.522 23.273  ?       ?       0.000000       23.27271  
1 1 1 -9  26  3  o 758.125 25.175  314968.50  20671.69 314968.50  20671.69 0.0000     0.0000   758.125 25.175  ?       ?       0.000000       25.17474  
1 1 1 -9  26  4  o 280.595 5.7184  42665.45   1737.90  44476.85   2129.81  39056.20   3006.38  286.449 6.8647  268.270 10.347  18.17892       12.41684  
1 1 1 -9  26  5  o 137.275 3.0231  10207.17   449.483  10294.11   619.375  10110.44   653.312  137.847 4.1485  136.609 4.4154  1.238525       6.058520  
1 1 1 -9  26  6  o 126.536 2.8074  8672.58    384.765  8164.21    538.720  9201.93    549.726  122.760 4.0517  130.330 3.8943  -7.570305      5.619767  
1 1 1 -9  26  7  o 180.426 3.5110  17634.90   686.114  16692.95   968.091  18585.55   972.547  175.512 5.0926  185.200 4.8484  -9.688019      7.031483  
1 1 1 -9  26  8  o 300.340 5.2214  48887.41   1698.53  47966.10   2401.04  49810.32   2403.12  297.379 7.4545  303.050 7.3213  -5.671295      10.44854  
1 1 1 -9  26  9  o 149.116 3.2138  12045.74   519.050  12281.92   736.299  11812.42   731.817  150.547 4.5156  147.640 4.5764  2.906769       6.429151  
1 1 1 -9  26  10 o 214.499 4.0802  24931.83   947.927  24774.97   1339.08  25089.38   1342.06  213.758 5.7838  215.111 5.7602  -1.353134      8.162916  
1 1 1 -9  26  11 o 335.333 6.6829  61012.32   2427.24  60158.67   4207.08  61438.23   2971.69  332.331 11.688  336.345 8.1573  -4.014252      14.25311  
1 1 1 -9  26  12 f 658.766 10.893  236390.41  7772.54  235530.91  10992.37 237249.80  10991.69 655.631 15.480  658.048 15.422  -2.416626      21.85072  
1 1 1 -9  26  13 o 162.827 3.4034  14367.10   600.213  14101.68   851.253  14629.52   846.426  161.262 4.8737  164.257 4.7577  -2.995453      6.810881  
1 1 1 -9  26  14 o 157.492 3.4054  13442.19   580.891  13078.08   862.173  13744.88   786.094  155.274 5.1266  159.210 4.5586  -3.936371      6.860233  
1 1 1 -9  26  15 o 138.197 3.1270  10349.72   468.053  11299.43   667.037  9428.58    656.931  144.356 4.2662  131.852 4.6001  12.50443       6.273855  
1 1 1 -9  26  16 o 79.018  2.8927  3383.52    247.574  3939.04    361.107  2890.80    340.084  85.236  3.9115  72.882  4.3276  12.35428       5.833373  
1 1 1 -9  26  17 f 300.918 5.3052  49153.66   1729.10  48510.50   3457.96  49368.09   1996.64  297.869 10.718  301.458 6.1151  -3.588409      12.33999  
1 1 1 -9  26  18 o 103.687 2.9550  5827.00    331.853  6617.92    668.788  5568.66    382.228  110.241 5.6198  101.347 3.4821  8.894257       6.611123  
1 1 1 -9  26  19 o 166.282 3.5296  14994.04   635.685  15710.65   1267.46  14753.20   734.782  169.887 6.8882  164.901 4.1140  4.985794       8.023207  
1 1 1 -9  26  20 o 148.247 3.3125  11918.51   531.870  11475.46   1055.12  12069.44   615.835  145.149 6.7115  149.148 3.8122  -3.999817      7.718629  
1 1 1 -9  26  21 o 96.217  3.0477  5021.02    317.614  4978.32    627.370  5035.74    368.299  95.401  6.1036  96.333  3.5298  -0.9322052     7.050756  
1 1 1 -9  26  22 o 64.413  2.6270  2250.30    183.275  1726.05    247.630  2885.31    272.536  56.206  4.0959  72.898  3.4517  -16.69238      5.356389  
1 1 1 -9  26  23 o 77.094  2.6376  3225.26    220.238  3407.12    329.534  3078.46    296.073  79.147  3.8441  75.250  3.6326  3.896629       5.288993  
1 1 1 -9  26  24 o 104.107 2.9211  5889.40    329.383  5465.38    663.926  6027.83    379.361  99.519  6.1901  105.270 3.3272  -5.751213      7.027669  
1 1 1 -9  26  25 o 55.456  3.9264  1686.54    234.313  1757.96    499.060  1666.34    265.382  55.381  8.5989  55.016  4.4929  0.3652115      9.701865  
1 1 1 -9  26  26 o 144.846 3.3866  11441.50   531.303  11523.48   1075.07  11415.01   611.152  143.794 6.9028  144.512 3.9046  -0.7182922     7.930592  
1 1 1 -9  26  27 o 79.565  3.3478  3456.82    288.507  4014.13    604.805  3292.65    328.263  84.477  6.6642  77.436  3.9267  7.040474       7.735028  
1 1 1 -9  26  28 o 69.445  3.5777  2649.01    268.184  2878.50    565.373  2582.39    304.638  70.781  7.4884  68.404  4.1312  2.377586       8.552406  
1 1 1 -9  26  29 o 34.054  1.9669  632.795    72.237   1052.66    470.431  622.657    73.104   40.874  10.553  33.774  2.0075  7.100388       10.74265  
1 1 1 -9  26  30 o 15.165  6.6229  -20.8718   205.726  528.281    448.718  -167.0235  231.488  30.010  10.808  13.960  6.4635  16.05022       12.59320  
1 1 1 -9  26  31 o 59.715  4.0435  1993.47    259.980  2640.85    553.958  1810.61    294.417  66.071  7.8975  56.507  4.8578  9.564331       9.271897  
1 1 1 -9  26  32 o 14.680  6.6243  -64.4061   223.419  -126.5533  468.827  -46.1455   254.132  20.074  9.2606  15.908  7.1312  4.165819       11.68811  
1 1 1 -9  26  33 o 44.184  13.283  1719.72    687.156  0.0000     0.0000   1719.72    687.156  ?       ?       44.184  13.283  0.000000       13.28277  
1 1 1 -9  26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  27  1  o 83.575  5.6798  3802.39    511.088  3802.39    511.088  0.0000     0.0000   83.575  5.6798  ?       ?       0.000000       5.679840  
1 1 1 -9  27  2  o 412.657 14.031  92565.50   6270.94  92565.50   6270.94  0.0000     0.0000   412.657 14.031  ?       ?       0.000000       14.03051  
1 1 1 -9  27  3  o 517.926 12.040  145681.30  6753.90  145681.30  6753.90  0.0000     0.0000   517.926 12.040  ?       ?       0.000000       12.03975  
1 1 1 -9  27  4  o 588.559 9.7504  187957.00  6215.56  186833.80  8789.74  189080.41  8790.53  586.224 13.843  589.751 13.762  -3.527588      19.51991  
1 1 1 -9  27  5  o 491.296 8.1421  130903.20  4332.63  132679.70  6127.01  129126.50  6127.53  494.273 11.445  487.590 11.603  6.682587       16.29751  
1 1 1 -9  27  6  o 167.933 3.3817  15276.78   615.091  14143.91   866.521  16427.34   873.260  161.562 4.9519  174.122 4.6304  -12.56013      6.779517  
1 1 1 -9  27  7  o 647.133 10.550  227457.30  7394.34  221619.59  10456.49 233296.41  10457.87 637.787 15.137  654.472 14.753  -16.68488      21.13721  
1 1 1 -9  27  8  o 369.169 6.2682  73891.02   2506.31  74014.86   3543.48  73767.03   3545.44  369.266 8.8597  368.645 8.8795  0.6206360      12.54357  
1 1 1 -9  27  9  o 358.626 5.9519  69732.45   2311.90  69768.10   3269.76  69696.81   3269.26  358.507 8.4207  358.324 8.4237  0.1835022      11.91080  
1 1 1 -9  27  10 o 702.077 11.569  268306.91  8797.63  264550.81  12441.38 272063.50  12442.08 695.305 16.521  705.210 16.289  -9.904968      23.20066  
1 1 1 -9  27  11 o 281.727 6.2770  43058.20   1915.35  45998.21   3019.89  41079.61   2477.40  290.848 9.5864  274.996 8.3176  15.85165       12.69177  
1 1 1 -9  27  12 o 545.443 9.1141  161795.00  5384.38  161050.00  7614.83  162540.00  7614.48  543.028 12.947  545.555 12.886  -2.527649      18.26700  
1 1 1 -9  27  13 o 218.392 4.3951  25857.55   1039.63  25948.35   1580.32  25788.27   1380.40  218.620 6.6740  218.008 5.8460  0.6119080      8.872316  
1 1 1 -9  27  14 o 144.410 3.2019  11300.97   500.807  12174.14   712.335  10447.55   704.231  149.842 4.3892  138.798 4.6845  11.04355       6.419437  
1 1 1 -9  27  15 o 374.160 6.3947  76033.87   2591.49  78527.68   3666.41  73544.08   3663.45  379.731 8.9144  367.416 9.2058  12.31503       12.81460  
1 1 1 -9  27  16 o 255.005 4.6671  35275.05   1289.04  34468.99   1824.94  36077.64   1821.01  251.853 6.6901  257.684 6.5246  -5.831558      9.344941  
1 1 1 -9  27  17 o 98.847  2.9079  5295.13    311.319  5526.74    625.295  5218.80    358.973  100.717 5.7559  98.120  3.3778  2.597778       6.673863  
1 1 1 -9  27  18 o 170.843 3.5065  15824.89   648.846  14206.07   1298.01  16364.15   749.163  161.541 7.4186  173.700 3.9820  -12.15880      8.419784  
1 1 1 -9  27  19 o 234.123 4.3677  29746.74   1107.55  31328.25   2216.45  29220.42   1278.63  239.557 8.5423  231.955 5.0895  7.602097       9.943548  
1 1 1 -9  27  20 o 72.604  3.0830  2858.27    242.436  2391.43    489.986  3009.60    278.978  65.879  6.9730  74.489  3.4579  -8.610062      7.783307  
1 1 1 -9  27  21 o 77.318  3.1144  3242.74    260.814  3614.10    516.383  3115.55    302.193  81.244  5.9088  75.763  3.6826  5.481010       6.962429  
1 1 1 -9  27  22 o 46.079  3.9121  1162.06    193.398  1440.96    377.418  1062.75    225.213  50.831  7.0446  43.925  4.8126  6.905605       8.531569  
1 1 1 -9  27  23 f 182.399 3.7031  18092.99   731.578  17854.71   1459.04  18173.02   845.549  180.035 7.4824  182.675 4.2736  -2.640335      8.616823  
1 1 1 -9  27  24 o 160.148 3.4406  13957.06   596.800  13864.79   1184.57  13988.45   690.890  158.462 6.9018  160.197 3.9819  -1.734695      7.968084  
1 1 1 -9  27  25 o 23.290  1.9737  296.442    49.321   287.124    50.551   480.892    224.907  22.909  2.0593  28.865  7.2140  -5.955460      7.502153  
1 1 1 -9  27  26 o 120.246 3.1984  7880.54    416.552  8423.79    817.229  7689.87    484.169  123.281 6.1204  118.636 3.7680  4.645271       7.187242  
1 1 1 -9  27  27 o 88.017  3.2668  4229.24    311.428  4630.11    645.707  4107.72    355.509  90.759  6.6142  86.624  3.7892  4.135368       7.622666  
1 1 1 -9  27  28 o 35.867  5.9180  736.279    221.880  1106.99    464.386  626.618    252.574  42.434  10.225  32.620  7.3278  9.814087       12.57939  
1 1 1 -9  27  29 o 48.731  4.4516  1325.12    232.366  1164.70    498.505  1369.65    262.645  42.868  10.755  49.371  4.9797  -6.502155      11.85155  
1 1 1 -9  27  30 f 48.005  4.6072  1294.11    236.605  1516.07    505.756  1231.93    267.708  49.204  9.8340  46.515  5.4150  2.688728       11.22631  
1 1 1 -9  27  31 o 60.256  4.0305  2030.97    261.523  1200.90    555.351  2267.50    296.451  41.375  11.810  63.526  4.3344  -22.15091      12.58002  
1 1 1 -9  27  32 o 33.055  2.1221  600.976    75.572   884.923    504.202  594.451    76.435   34.042  11.507  32.865  2.1593  1.177185       11.70831  
1 1 1 -9  27  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  28  1  o 608.185 32.085  204917.91  21060.39 204917.91  21060.39 0.0000     0.0000   608.185 32.085  ?       ?       0.000000       32.08484  
1 1 1 -9  28  2  o 585.040 19.524  186766.20  12371.47 186766.20  12371.47 0.0000     0.0000   585.040 19.524  ?       ?       0.000000       19.52387  
1 1 1 -9  28  3  o 284.423 8.6729  43877.19   2671.76  40009.11   3242.95  52050.06   4713.90  271.468 11.029  309.394 14.067  -37.92609      17.87524  
1 1 1 -9  28  4  o 129.660 3.5955  9106.92    504.935  9844.57    615.153  7583.49    884.030  134.802 4.2132  118.070 6.9434  16.73137       8.121711  
1 1 1 -9  28  5  o 671.855 11.080  245139.70  8062.91  230809.41  11401.84 259474.09  11403.50 650.888 16.173  690.351 15.251  -39.46332      22.22989  
1 1 1 -9  28  6  o 278.661 5.3391  42082.66   1611.44  41822.90   2125.78  42433.58   2470.75  277.725 7.0670  279.687 8.1562  -1.962128      10.79192  
1 1 1 -9  28  7  o 420.621 6.8379  95936.38   3115.19  89836.88   4404.38  102042.30  4406.70  406.731 9.9979  433.552 9.3843  -26.82120      13.71214  
1 1 1 -9  28  8  o 591.406 9.6381  189956.91  6173.70  182689.00  8730.10  197227.50  8731.77  579.084 13.919  601.817 13.396  -22.73291      19.31799  
1 1 1 -9  28  9  o 205.600 3.8201  22903.75   850.691  22725.33   1201.94  23082.84   1204.19  204.745 5.4200  206.350 5.3879  -1.605438      7.642358  
1 1 1 -9  28  10 o 383.343 6.5204  79718.09   2707.26  78525.38   3828.59  80910.86   3828.69  380.129 9.2990  385.880 9.1607  -5.750366      13.05335  
1 1 1 -9  28  11 o 496.754 9.5049  134194.59  5113.97  137629.20  8859.52  132478.41  6262.65  501.041 16.325  493.032 11.728  8.009796       20.10126  
1 1 1 -9  28  12 f 197.876 3.8305  21220.63   820.959  21959.36   1165.70  20493.67   1156.38  201.218 5.3487  194.379 5.4926  6.839020       7.666667  
1 1 1 -9  28  13 o 206.800 3.9192  23180.67   877.857  23753.81   1244.13  22612.40   1238.84  209.252 5.4894  204.155 5.6025  5.096695       7.843597  
1 1 1 -9  28  14 o 211.976 4.0396  24359.77   927.466  25244.45   1312.71  23477.98   1310.57  215.683 5.6193  207.985 5.8178  7.698349       8.088434  
1 1 1 -9  28  15 o 143.146 3.2057  11105.08   497.021  11168.07   707.139  11043.58   698.725  143.498 4.5498  142.698 4.5208  0.8006744      6.413916  
1 1 1 -9  28  16 o 156.763 3.4014  13320.50   577.526  12997.92   820.817  13636.76   812.733  154.778 4.8963  158.546 4.7328  -3.767746      6.809804  
1 1 1 -9  28  17 o 257.100 5.3952  35885.96   1502.37  37115.42   2603.01  35271.81   1839.73  260.848 9.2134  254.724 6.6683  6.123703       11.37332  
1 1 1 -9  28  18 o 108.521 2.9700  6383.30    349.096  6627.01    700.915  6302.90    402.581  110.279 5.8895  107.820 3.4473  2.459358       6.824218  
1 1 1 -9  28  19 o 183.116 3.6903  18186.69   731.913  18535.35   1464.71  18070.66   844.970  184.450 7.3317  182.483 4.2751  1.966492       8.487052  
1 1 1 -9  28  20 o 225.566 4.2418  27621.94   1036.33  29960.63   2074.24  26843.96   1196.34  234.144 8.1791  222.266 4.9695  11.87799       9.570468  
1 1 1 -9  28  21 o 266.321 4.8329  38567.14   1394.05  39178.71   2785.24  38362.72   1610.27  266.816 9.6379  265.429 5.6012  1.386688       11.14728  
1 1 1 -9  28  22 o 36.170  1.1758  708.718    46.064   739.895    47.412   183.880    194.531  36.957  1.1845  19.874  7.1206  17.08280       7.218446  
1 1 1 -9  28  23 o 98.332  3.0391  5251.91    323.675  5246.00    630.371  5254.03    377.196  97.686  5.9868  98.300  3.5428  -0.6145020     6.956506  
1 1 1 -9  28  24 o 61.959  3.3340  2094.73    222.919  2144.14    424.865  2075.96    261.858  62.072  6.4119  61.588  3.9463  0.4847031      7.528973  
1 1 1 -9  28  25 o 66.862  3.5159  2443.13    253.720  2744.14    535.015  2355.79    288.187  69.925  7.1654  65.550  4.0793  4.375114       8.245232  
1 1 1 -9  28  26 o 57.406  2.2512  1790.49    139.969  1462.62    493.771  1819.14    145.956  49.835  9.4946  57.857  2.3292  -8.022003      9.776109  
1 1 1 -9  28  27 o 112.967 3.1384  6963.56    384.006  8032.38    723.678  6544.67    453.050  120.366 5.5510  109.317 3.8264  11.04938       6.742017  
1 1 1 -9  28  28 o 48.417  2.7502  1282.67    143.626  1050.83    167.228  1934.51    280.406  43.646  3.5687  59.067  4.4149  -15.42072      5.676908  
1 1 1 -9  28  29 o 22.548  7.3438  287.377    205.778  671.326    446.678  183.938    231.846  33.019  10.823  20.248  7.6797  12.77051       13.27078  
1 1 1 -9  28  30 o 51.126  4.5373  1465.58    248.643  1879.89    517.582  1341.28    283.498  55.523  8.9079  48.511  5.4924  7.012356       10.46505  
1 1 1 -9  28  31 o 24.304  7.5125  358.448    217.794  131.535    476.954  418.228    244.808  23.645  10.206  26.037  7.9509  -2.391933      12.93782  
1 1 1 -9  28  32 o 19.612  2.1914  213.455    45.754   846.593    486.406  207.802    45.957   33.382  11.302  19.338  2.2354  14.04423       11.52143  
1 1 1 -9  28  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  29  1  o 264.806 5.0604  37995.18   1451.39  37018.58   1918.59  39301.78   2219.20  261.326 6.7785  269.231 7.6103  -7.904846      10.19138  
1 1 1 -9  29  2  o 666.259 15.601  241626.80  11258.31 249804.80  15921.73 233448.91  15921.59 675.817 21.752  653.091 22.508  22.72675       31.30104  
1 1 1 -9  29  3  o 167.523 6.0755  15210.24   1102.37  14707.72   1558.97  15712.77   1559.00  164.427 8.7856  170.204 8.4568  -5.776932      12.19440  
1 1 1 -9  29  4  o 398.563 9.6154  86208.13   4150.85  89440.46   5869.36  82973.98   5871.01  405.570 13.361  390.571 13.878  14.99863       19.26505  
1 1 1 -9  29  5  o 167.368 4.1870  15176.51   759.010  15696.60   872.143  13552.83   1540.97  170.202 4.7310  157.779 9.0552  12.42258       10.21659  
1 1 1 -9  29  6  o 185.586 3.5560  18658.48   714.786  18062.78   1007.58  19262.01   1014.18  182.567 5.0955  188.533 4.9666  -5.966339      7.115522  
1 1 1 -9  29  7  o 193.409 3.8121  20266.47   798.565  19775.73   1127.30  20760.78   1131.39  191.011 5.4489  195.714 5.3373  -4.702835      7.627425  
1 1 1 -9  29  8  o 380.888 6.3942  78670.31   2637.89  77438.08   3729.67  79903.69   3731.41  377.635 9.1186  383.616 8.9806  -5.980316      12.79846  
1 1 1 -9  29  9  o 130.433 2.8831  9216.14    407.303  9041.48    576.016  9390.79    576.010  129.171 4.1172  131.644 4.0398  -2.473129      5.768118  
1 1 1 -9  29  10 o 341.105 5.9135  63103.87   2184.75  62374.66   3089.75  63833.04   3089.65  338.872 8.4181  342.823 8.3209  -3.950439      11.83648  
1 1 1 -9  29  11 o 376.306 9.1369  76995.06   3724.00  76340.58   5267.06  77649.27   5265.99  373.937 13.005  377.155 12.891  -3.218048      18.31128  
1 1 1 -9  29  12 o 46.180  1.9743  1155.15    98.750   1189.75    111.028  1024.16    216.034  46.865  2.1873  43.208  4.6916  3.657040       5.176408  
1 1 1 -9  29  13 o 411.033 6.9753  91759.23   3105.35  93656.48   4392.57  89863.59   4390.69  414.683 9.7799  406.152 9.9810  8.531403       13.97376  
1 1 1 -9  29  14 o 206.694 3.9614  23160.58   886.849  22134.10   1256.13  24180.74   1252.26  201.947 5.7429  211.098 5.4770  -9.151047      7.935866  
1 1 1 -9  29  15 o 318.357 5.5615  55010.27   1917.67  54543.43   2713.20  55476.29   2710.80  316.639 7.9113  319.349 7.8372  -2.709747      11.13598  
1 1 1 -9  29  16 o 178.378 3.6165  17249.47   698.717  18648.77   992.410  15874.03   983.915  185.389 4.9424  171.016 5.3119  14.37283       7.255593  
1 1 1 -9  29  17 o 415.316 7.0700  93817.53   3180.28  96504.22   4498.69  91133.45   4496.51  420.354 9.8810  408.389 10.166  11.96503       14.17650  
1 1 1 -9  29  18 o 196.977 3.8553  21043.28   822.505  20858.58   1645.11  21104.83   949.729  195.669 7.7625  197.216 4.4462  -1.547913      8.945690  
1 1 1 -9  29  19 o 175.211 3.7226  16651.49   706.446  15469.91   1683.99  16903.84   778.236  167.937 9.2943  176.507 4.0708  -8.569839      10.14670  
1 1 1 -9  29  20 o 181.057 3.6709  17786.58   719.878  17560.41   1439.88  17861.95   831.220  179.381 7.4110  181.384 4.2310  -2.002899      8.533773  
1 1 1 -9  29  21 o 94.470  2.7828  4839.91    284.742  4230.21    491.079  5148.72    349.490  88.017  5.1740  97.408  3.3126  -9.391296      6.143602  
1 1 1 -9  29  22 o 101.337 2.8683  5572.58    314.824  5303.52    651.328  5654.60    359.625  98.316  6.1474  102.050 3.2536  -3.734482      6.955349  
1 1 1 -9  29  23 f 22.047  6.3181  273.031    158.634  -427.9630  308.870  524.190    184.881  14.430  6.9130  30.446  5.8186  -16.01578      9.035809  
1 1 1 -9  29  24 o 104.852 2.9585  5976.43    335.984  5412.11    597.828  6236.96    406.204  99.146  5.5899  107.031 3.5040  -7.884872      6.597340  
1 1 1 -9  29  25 o 43.023  2.2752  1007.91    105.644  1724.40    464.001  968.740    108.494  54.985  8.0279  42.164  2.3855  12.82032       8.374806  
1 1 1 -9  29  26 f 63.145  2.6165  2169.08    178.952  2571.18    529.835  2117.31    190.124  67.345  7.3850  62.365  2.8147  4.980011       7.903201  
1 1 1 -9  29  27 o 39.065  2.1164  831.770    89.214   839.386    464.548  831.478    90.907   37.177  10.858  39.054  2.1575  -1.876728      11.07027  
1 1 1 -9  29  28 o 41.227  1.6915  923.030    75.532   958.573    79.510   594.278    241.813  42.009  1.7474  31.754  7.1972  10.25562       7.406271  
1 1 1 -9  29  29 o 56.565  2.3404  1743.97    143.388  1838.75    168.671  1496.99    272.284  58.023  2.6839  51.624  4.9296  6.398277       5.612861  
1 1 1 -9  29  30 o 47.151  4.8215  1254.61    242.770  1459.85    503.705  1192.51    277.075  48.031  10.007  45.581  5.7395  2.449383       11.53630  
1 1 1 -9  29  31 o 52.199  2.3538  1491.30    133.075  1413.40    523.122  1496.69    137.601  45.580  10.768  52.275  2.4303  -6.695160      11.03858  
1 1 1 -9  29  32 o 12.779  5.9941  -166.5317  209.686  214.939    462.716  -265.1144  235.225  23.393  10.075  12.626  6.0443  10.76777       11.74937  
1 1 1 -9  29  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  30  1  o 173.840 3.7239  16370.95   701.162  15703.08   991.249  17039.74   991.938  170.229 5.3762  177.331 5.1645  -7.101456      7.454953  
1 1 1 -9  30  2  o 511.173 9.0004  141762.80  4983.09  135939.00  7728.33  145906.91  6519.25  499.879 14.274  518.279 11.614  -18.40036      18.40178  
1 1 1 -9  30  3  o 362.560 10.547  71369.62   4141.66  69347.51   4978.42  75914.84   7463.92  357.163 12.869  372.939 18.478  -15.77621      22.51801  
1 1 1 -9  30  4  o 502.164 14.411  137251.41  7838.07  132423.00  9345.17  148705.70  14393.72 492.662 17.513  519.904 25.561  -27.24173      30.98526  
1 1 1 -9  30  5  o 511.066 12.071  141984.00  6681.83  138423.80  9448.05  145546.41  9451.02  503.612 17.321  516.503 16.894  -12.89166      24.19572  
1 1 1 -9  30  6  o 190.517 4.3076  19666.87   888.883  19646.33   1085.21  19708.74   1549.49  190.393 5.2625  190.619 7.5050  -0.2256012     9.166183  
1 1 1 -9  30  7  o 454.776 7.6305  112205.00  3758.56  108496.00  5314.42  115916.60  5316.39  446.769 10.983  461.849 10.628  -15.07999      15.28294  
1 1 1 -9  30  8  o 272.295 4.8637  40185.57   1434.43  41354.68   2028.80  39016.94   2028.39  276.122 6.7837  268.191 6.9829  7.930511       9.735508  
1 1 1 -9  30  9  o 82.174  2.6776  3657.88    238.311  3783.79    337.817  3533.15    336.235  83.565  3.7324  80.749  3.8445  2.816521       5.358222  
1 1 1 -9  30  10 o 178.390 3.4854  17243.13   673.440  18071.96   954.029  16419.99   950.755  182.583 4.8243  174.029 5.0440  8.553284       6.979664  
1 1 1 -9  30  11 o 182.047 5.1652  17971.45   1018.45  17849.64   1442.80  18092.43   1437.83  181.306 7.3472  182.540 7.2724  -1.233856      10.33778  
1 1 1 -9  30  12 o 253.897 4.5527  34950.25   1251.97  35333.62   1773.16  34569.12   1767.96  255.143 6.4164  252.363 6.4681  2.779922       9.110803  
1 1 1 -9  30  13 o 113.669 2.9132  7000.83    358.659  6643.31    512.405  7344.24    502.190  110.695 4.2738  116.397 3.9834  -5.701843      5.842344  
1 1 1 -9  30  14 o 207.107 3.9589  23253.52   888.060  24587.16   1259.06  21933.18   1252.77  212.862 5.4611  201.023 5.7538  11.83853       7.932845  
1 1 1 -9  30  15 o 252.342 4.6018  34538.11   1257.73  35508.09   1780.66  33572.39   1776.75  255.670 6.4303  248.584 6.5991  7.086639       9.213944  
1 1 1 -9  30  16 o 324.900 5.6966  57315.75   2004.64  55559.65   2836.14  59069.03   2833.85  319.438 8.1973  329.426 7.9423  -9.988403      11.41388  
1 1 1 -9  30  17 o 264.906 5.0888  38091.32   1460.08  37308.31   2237.29  38672.21   1927.01  261.746 7.8917  266.698 6.6711  -4.951660      10.33355  
1 1 1 -9  30  18 o 67.905  2.5587  2498.81    188.188  2925.68    453.995  2410.25    206.790  73.150  5.7772  66.685  2.8631  6.464973       6.447712  
1 1 1 -9  30  19 f 49.685  3.5757  1345.78    191.136  2004.75    387.536  1133.96    219.719  60.421  6.0012  45.481  4.5202  14.93922       7.513105  
1 1 1 -9  30  20 o 161.254 3.5558  14107.98   621.046  13541.79   1435.63  14238.33   688.835  157.089 8.4691  161.965 3.9267  -4.876022      9.335075  
1 1 1 -9  30  21 o 145.288 3.2685  11454.62   514.337  11645.67   1029.15  11391.01   593.815  146.056 6.5056  144.834 3.7854  1.222427       7.526758  
1 1 1 -9  30  22 o 20.933  1.8415  239.352    41.328   226.949    42.486   457.564    178.204  20.368  1.9497  28.413  5.9800  -8.044441      6.289799  
1 1 1 -9  30  23 o 81.701  2.9250  3625.67    258.838  3413.00    517.890  3696.48    298.839  78.646  6.1282  82.458  3.3461  -3.811394      6.982164  
1 1 1 -9  30  24 o 40.130  4.3425  889.472    185.736  1011.03    345.525  840.071    220.267  41.993  7.8864  38.778  5.3901  3.214878       9.552416  
1 1 1 -9  30  25 o 23.765  1.6887  307.860    43.183   306.095    44.035   352.136    220.556  23.692  1.7279  24.978  7.5289  -1.285532      7.724647  
1 1 1 -9  30  26 o 68.399  3.6021  2562.64    265.914  2864.75    544.863  2468.18    304.661  71.192  7.1635  66.982  4.2210  4.210342       8.314566  
1 1 1 -9  30  27 o 48.836  4.3268  1320.82    226.494  585.622    484.745  1526.15    256.178  32.273  11.270  52.462  4.5536  -20.18944      12.15516  
1 1 1 -9  30  28 o 72.444  3.4809  2876.46    273.121  2972.60    572.502  2848.12    310.765  71.794  7.4718  71.840  4.0099  -0.4555511E-01 8.479838  
1 1 1 -9  30  29 o 101.674 3.0404  5660.85    334.822  6157.42    584.141  5417.87    408.607  104.971 5.1378  99.159  3.8045  5.811760       6.393080  
1 1 1 -9  30  30 o 37.534  1.4690  765.303    59.718   789.877    61.629   387.391    241.685  38.130  1.4923  25.477  7.9202  12.65271       8.059587  
1 1 1 -9  30  31 o 43.903  5.0113  1108.05    234.025  2005.35    504.927  862.561    264.105  56.536  8.5095  37.828  6.6908  18.70838       10.82492  
1 1 1 -9  30  32 o 33.465  6.5914  694.684    230.412  1306.89    501.162  530.595    259.460  41.991  10.918  28.350  8.0653  13.64105       13.57356  
1 1 1 -9  30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  31  1  o 112.705 2.6977  6880.25    329.318  6942.92    465.823  6817.63    465.630  113.208 3.7990  112.182 3.8322  1.026505       5.396160  
1 1 1 -9  31  2  o 217.704 4.0399  25676.89   952.587  26726.75   1347.06  24626.73   1347.26  222.070 5.6005  213.160 5.8355  8.909744       8.088156  
1 1 1 -9  31  3  o 273.529 5.2266  40545.06   1548.42  41852.32   2044.38  38786.09   2371.42  277.839 6.7936  267.399 8.1880  10.44003       10.63940  
1 1 1 -9  31  4  o 514.604 17.288  144523.80  9635.88  144523.80  9635.88  0.0000     0.0000   514.604 17.288  ?       ?       0.000000       17.28813  
1 1 1 -9  31  5  o 49.442  4.3600  1334.81    231.088  1110.26    308.928  1620.08    348.202  44.779  6.5646  54.336  6.0177  -9.557304      8.905391  
1 1 1 -9  31  6  o 577.799 21.296  183230.09  13327.48 186730.50  18847.90 179729.70  18847.90 578.716 30.174  567.405 30.784  11.31122       43.10620  
1 1 1 -9  31  7  o 548.266 12.954  163674.00  7692.29  163769.91  10877.22 163578.09  10879.87 546.935 18.362  546.610 18.377  0.3253174      25.97820  
1 1 1 -9  31  8  o 342.277 5.8901  63524.57   2183.57  61802.91   3087.28  65247.93   3088.80  337.383 8.4486  346.682 8.2260  -9.298981      11.79173  
1 1 1 -9  31  9  f 317.616 5.5142  54699.70   1896.96  54613.65   2682.09  54785.82   2683.33  317.168 7.8075  317.669 7.7988  -0.5004272     11.03537  
1 1 1 -9  31  10 o 354.210 6.0650  68061.30   2326.81  67956.34   3290.34  68166.30   3290.88  353.635 8.5904  354.182 8.5786  -0.5475769     12.14032  
1 1 1 -9  31  11 o 391.142 9.4634  83232.66   4009.12  82262.61   5669.83  84202.65   5669.68  387.942 13.494  392.532 13.336  -4.590057      18.97155  
1 1 1 -9  31  12 o 422.612 7.0949  96995.43   3247.57  101356.60  4593.73  92637.93   4591.79  431.450 9.8303  412.372 10.281  19.07819       14.22418  
1 1 1 -9  31  13 o 459.152 7.7272  114600.80  3842.80  115987.20  5435.02  113215.00  5434.05  461.071 10.883  455.486 11.015  5.584442       15.48465  
1 1 1 -9  31  14 o 272.634 5.2180  40329.21   1540.83  39383.96   2362.51  41028.91   2032.62  269.062 8.1068  274.805 6.8291  -5.742493      10.59987  
1 1 1 -9  31  15 o 91.825  2.8714  4569.10    285.581  4823.82    410.066  4329.21    397.951  94.322  4.0139  89.353  4.1120  4.969025       5.746304  
1 1 1 -9  31  16 o 53.334  3.3244  1547.83    191.084  1294.31    280.849  1766.35    260.738  48.528  5.4368  56.910  4.2610  -8.381866      6.907579  
1 1 1 -9  31  17 o 227.132 4.2653  27984.33   1049.31  27233.40   1486.63  28729.86   1481.27  223.866 6.1312  229.958 5.9472  -6.091599      8.541723  
1 1 1 -9  31  18 o 72.074  2.5341  2815.12    197.821  2950.65    289.417  2696.27    271.010  73.763  3.6226  70.423  3.5646  3.339684       5.082276  
1 1 1 -9  31  19 o 157.829 3.3960  13509.26   580.537  14326.79   1161.80  13237.20   670.207  162.214 6.6126  156.192 3.9617  6.022003       7.708532  
1 1 1 -9  31  20 o 84.020  3.0199  3828.29    274.812  3824.73    541.940  3829.52    318.847  83.595  6.0259  84.013  3.5040  -0.4184036     6.970664  
1 1 1 -9  31  21 o 104.600 2.8844  5935.06    326.783  5789.25    606.113  5994.82    388.004  102.944 5.4555  105.090 3.4088  -2.146042      6.432917  
1 1 1 -9  31  22 o 84.223  2.9264  3850.35    266.949  3891.35    535.338  3836.78    307.970  84.172  5.9095  84.042  3.3833  0.1302567      6.809469  
1 1 1 -9  31  23 o 45.270  3.4185  1120.80    166.380  1034.37    293.023  1161.92    202.123  42.914  6.5085  46.001  4.0997  -3.087288      7.692118  
1 1 1 -9  31  24 o 105.819 2.9801  6088.88    341.560  5421.57    667.231  6325.85    397.606  98.980  6.2560  107.791 3.4057  -8.810455      7.122925  
1 1 1 -9  31  25 o 101.351 3.1488  5593.58    345.650  6470.20    711.878  5323.15    395.384  108.024 6.1094  98.768  3.6960  9.256233       7.140383  
1 1 1 -9  31  26 o 29.930  1.8760  488.175    60.507   481.066    62.742   582.652    228.724  29.701  1.9614  31.722  6.8569  -2.021252      7.131886  
1 1 1 -9  31  27 o 39.049  5.1869  857.788    213.947  1241.80    462.899  753.471    241.263  45.417  9.7046  36.212  6.3847  9.205715       11.61650  
1 1 1 -9  31  28 o 80.878  3.3521  3582.77    293.640  3758.62    614.440  3530.72    334.284  81.018  7.0730  80.144  3.8510  0.8744812      8.053410  
1 1 1 -9  31  29 o 41.046  5.1500  955.091    223.913  1408.00    481.946  830.416    252.861  47.696  9.6603  37.774  6.4095  9.921902       11.59326  
1 1 1 -9  31  30 o 45.383  2.4848  1128.85    121.677  1050.84    136.866  1422.96    265.752  43.684  2.9093  50.138  4.9587  -6.453949      5.749157  
1 1 1 -9  31  31 o 34.664  1.1320  652.445    42.498   670.059    43.174   102.656    241.210  35.128  1.1347  18.221  7.5258  16.90710       7.610880  
1 1 1 -9  31  32 o 73.662  3.6788  3047.29    293.507  3156.24    615.430  3015.21    333.929  69.829  8.2997  72.730  4.2577  -2.900620      9.328076  
1 1 1 -9  31  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  32  1  o 246.579 4.6233  32944.88   1234.75  32611.75   1746.30  33277.93   1746.09  245.262 6.5738  247.757 6.5068  -2.495163      9.249554  
1 1 1 -9  32  2  o 504.791 9.0795  138286.41  4964.17  138770.30  6494.15  137606.20  7699.54  505.297 11.866  502.794 14.139  2.502594       18.45807  
1 1 1 -9  32  3  o 371.726 6.9277  74926.25   2789.23  72707.53   3659.88  78000.40   4308.03  366.002 9.2324  378.966 10.496  -12.96408      13.97836  
1 1 1 -9  32  4  o 582.555 9.6583  184257.00  6094.08  173577.41  8617.39  194941.09  8619.26  564.607 14.092  598.523 13.296  -33.91565      19.37407  
1 1 1 -9  32  5  o 45.193  3.5753  1113.40    173.576  1271.25    292.891  1027.96    215.496  48.087  5.7368  43.303  4.6684  4.783295       7.396301  
1 1 1 -9  32  6  o 602.364 14.106  197723.70  9202.94  187864.80  13013.34 207587.41  13016.51 585.128 20.534  615.460 19.527  -30.33221      28.33581  
1 1 1 -9  32  7  o 390.176 9.4015  82695.16   3973.10  80349.92   5616.73  85043.88   5620.89  383.986 13.505  395.109 13.135  -11.12344      18.83897  
1 1 1 -9  32  8  o 248.789 6.4426  33573.13   1736.04  33794.84   2452.96  33350.62   2457.31  249.413 9.0803  247.762 9.1570  1.651260       12.89587  
1 1 1 -9  32  9  o 282.176 5.0443  43167.48   1541.68  43680.20   2179.99  42654.50   2180.54  283.695 7.0947  280.337 7.1815  3.358124       10.09495  
1 1 1 -9  32  10 o 424.852 7.1494  97989.80   3289.88  96407.09   4651.85  99573.53   4653.33  420.872 10.205  427.761 10.044  -6.889221      14.31830  
1 1 1 -9  32  11 o 186.037 4.2686  18761.01   860.104  17948.47   1053.78  20382.67   1488.70  181.914 5.3483  193.747 7.0942  -11.83308      8.884302  
1 1 1 -9  32  12 o 104.631 2.8937  5931.58    327.927  5499.67    460.644  6375.37    466.938  100.722 4.2225  108.451 3.9752  -7.729088      5.799282  
1 1 1 -9  32  13 o 236.639 4.3719  30363.23   1120.53  29771.28   1585.27  30954.30   1584.08  234.171 6.2503  238.790 6.1248  -4.619171      8.750943  
1 1 1 -9  32  14 o 119.863 3.0032  7785.50    389.887  8071.81    554.550  7505.64    548.271  122.010 4.1964  117.650 4.3026  4.360519       6.010176  
1 1 1 -9  32  15 o 147.697 3.2585  11823.12   521.271  11846.63   741.288  11800.13   733.157  147.782 4.6312  147.494 4.5894  0.2881622      6.520001  
1 1 1 -9  32  16 o 175.488 3.5995  16695.61   684.164  16277.62   970.606  17108.38   964.532  173.178 5.1746  177.555 5.0155  -4.376205      7.206392  
1 1 1 -9  32  17 o 246.901 4.4995  33075.53   1203.27  33143.93   1706.79  33007.95   1696.60  246.920 6.3820  246.417 6.3568  0.5033569      9.007685  
1 1 1 -9  32  18 o 177.381 3.6022  17063.09   692.055  16783.00   1387.80  17155.80   798.411  175.541 7.2992  177.822 4.1454  -2.280945      8.394228  
1 1 1 -9  32  19 o 165.279 3.7920  14820.83   678.823  15324.49   1516.21  14694.57   759.158  167.471 8.3589  164.534 4.2600  2.937546       9.381844  
1 1 1 -9  32  20 o 179.809 3.6424  17546.01   709.366  18096.29   1418.91  17362.64   819.070  182.049 7.1961  178.801 4.2294  3.248581       8.346953  
1 1 1 -9  32  21 o 158.918 3.4065  13710.45   586.350  13610.12   1172.40  13743.91   677.116  157.745 6.8620  159.047 3.9307  -1.301895      7.908043  
1 1 1 -9  32  22 o 93.108  2.7440  4704.80    276.720  4591.71    480.283  4760.99    338.564  91.649  4.8557  93.615  3.3391  -1.965820      5.892980  
1 1 1 -9  32  23 o 50.877  3.3756  1413.96    184.954  1346.02    372.663  1436.17    213.045  48.870  7.2612  51.208  3.8697  -2.338493      8.228021  
1 1 1 -9  32  24 o 9.9939  1.8761  55.950     19.561   58.494     19.681   -150.7300  177.410  10.229  1.8444  12.156  5.6389  -1.927413      5.932865  
1 1 1 -9  32  25 f 34.881  5.6195  686.759    205.092  832.409    443.158  647.061    231.360  37.458  10.500  33.604  6.5920  3.853710       12.39807  
1 1 1 -9  32  26 o 47.468  4.3653  1246.34    221.919  1185.47    473.552  1263.47    251.211  44.465  10.067  47.658  4.9383  -3.192806      11.21299  
1 1 1 -9  32  27 o 56.079  2.4837  1711.98    150.861  1678.64    181.808  1785.68    270.318  55.377  3.0429  56.789  4.4298  -1.412807      5.374227  
1 1 1 -9  32  28 o 55.930  4.0113  1730.51    241.381  2012.50    509.086  1648.73    274.157  58.483  8.2674  54.371  4.7017  4.111774       9.510839  
1 1 1 -9  32  29 o 49.341  4.5814  1363.25    242.046  1047.82    501.612  1458.99    276.347  40.265  11.130  50.870  5.0837  -10.60484      12.23626  
1 1 1 -9  32  30 o 15.803  1.9831  138.152    33.196   164.765    452.783  138.008    33.286   24.043  10.146  15.793  1.9900  8.249632       10.33978  
1 1 1 -9  32  31 o 66.974  2.6792  2466.97    194.351  2612.11    245.597  2223.80    317.892  68.644  3.3033  62.427  4.7368  6.216309       5.774878  
1 1 1 -9  32  32 o 47.660  5.5410  1347.12    280.692  0.0000     0.0000   1347.12    280.692  ?       ?       47.660  5.5410  0.000000       5.541009  
1 1 1 -9  32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  33  1  o 418.702 8.4603  95122.73   3836.72  95507.10   5426.02  94738.38   5425.86  419.147 11.952  417.450 12.000  1.696625       16.93699  
1 1 1 -9  33  2  o 398.801 7.4177  86258.08   3204.04  85055.09   4200.59  87931.70   4954.60  395.790 9.7988  402.246 11.372  -6.455994      15.01150  
1 1 1 -9  33  3  o 243.678 4.7618  32177.04   1256.77  32859.65   1665.12  31273.46   1915.80  246.193 6.2446  240.126 7.3661  6.066605       9.656828  
1 1 1 -9  33  4  o 108.055 2.8938  6324.60    338.680  6511.41    477.339  6135.23    480.610  109.626 4.0201  106.411 4.1700  3.215744       5.792278  
1 1 1 -9  33  5  o 280.185 4.9148  42545.50   1491.50  39952.22   2107.50  45147.65   2111.10  271.398 7.1695  288.531 6.7553  -17.13287      9.850709  
1 1 1 -9  33  6  o 174.427 4.0101  16485.33   757.599  17165.57   1312.95  16145.80   927.599  177.899 6.8140  172.597 4.9620  5.302750       8.429279  
1 1 1 -9  33  7  o 314.063 7.8118  53535.24   2657.28  55134.02   3755.49  51932.25   3760.44  318.384 10.890  308.958 11.237  9.426025       15.64874  
1 1 1 -9  33  8  f 810.962 27.370  366967.69  24040.31 366967.69  24040.31 0.0000     0.0000   810.962 27.370  ?       ?       0.000000       27.36967  
1 1 1 -9  33  9  o 410.900 9.9027  91840.33   4407.16  94320.61   6232.00  89358.98   6233.33  415.537 13.847  404.362 14.232  11.17514       19.85684  
1 1 1 -9  33  10 o 225.843 4.8290  27653.99   1181.22  26232.08   1445.33  30513.91   2049.79  219.887 6.0687  236.996 7.9854  -17.10953      10.02979  
1 1 1 -9  33  11 o 334.678 8.2315  60881.50   2983.86  61403.75   3419.97  59216.55   6106.32  335.923 9.3997  327.604 17.270  8.319061       19.66247  
1 1 1 -9  33  12 o 297.211 5.2588  47917.33   1692.87  47717.64   2394.06  48117.02   2394.09  296.342 7.4589  297.583 7.4278  -1.241669      10.52650  
1 1 1 -9  33  13 o 122.368 3.0044  8113.96    398.200  8020.17    572.224  8202.02    554.474  121.619 4.3440  122.997 4.1622  -1.377312      6.016157  
1 1 1 -9  33  14 o 144.296 3.2240  11284.21   503.877  10740.32   714.681  11821.77   710.518  140.717 4.6892  147.643 4.4431  -6.926407      6.459857  
1 1 1 -9  33  15 o 222.887 4.3375  26942.76   1047.10  26677.94   1591.67  27144.81   1390.32  221.572 6.6324  223.598 5.7409  -2.025894      8.771867  
1 1 1 -9  33  16 o 243.407 4.4867  32139.99   1182.86  31479.59   1673.66  32799.05   1671.98  240.679 6.4203  245.690 6.2831  -5.010300      8.983223  
1 1 1 -9  33  17 o 309.163 5.4507  51910.27   1825.18  51202.39   2584.28  52614.79   2578.13  306.595 7.7822  310.823 7.6581  -4.228394      10.91831  
1 1 1 -9  33  18 o 109.214 3.4254  6467.70    405.195  6824.52    704.236  6291.11    495.413  111.900 5.8307  107.675 4.2480  4.224426       7.214061  
1 1 1 -9  33  19 o 62.262  3.1853  2107.68    214.083  2531.62    429.755  1967.75    246.899  67.964  5.8966  60.101  3.8126  7.862995       7.021794  
1 1 1 -9  33  20 o 69.242  2.5180  2599.20    188.838  2519.44    268.623  2677.13    265.519  68.033  3.6589  70.238  3.4902  -2.204582      5.056585  
1 1 1 -9  33  21 o 159.879 3.4169  13878.93   591.688  12408.33   1181.68  14371.02   683.551  150.487 7.2499  162.627 3.8807  -12.14026      8.223145  
1 1 1 -9  33  22 o 59.722  3.2586  1943.38    209.987  1873.19    410.986  1968.18    244.279  58.066  6.6550  60.041  3.7756  -1.974442      7.651398  
1 1 1 -9  33  23 o 70.504  2.1206  2696.72    161.936  3039.84    267.440  2498.10    203.477  74.761  3.3028  67.816  2.7702  6.945274       4.310765  
1 1 1 -9  33  24 o 35.572  4.9981  706.587    187.251  784.842    436.624  688.950    207.281  36.606  10.479  34.971  5.6663  1.635151       11.91329  
1 1 1 -9  33  25 o 82.179  2.7665  3673.85    246.242  3996.32    373.485  3425.88    327.506  85.494  4.0333  79.197  3.8180  6.297516       5.553854  
1 1 1 -9  33  26 o 104.675 3.1763  5976.16    360.115  5762.58    735.489  6043.51    413.008  101.333 6.7396  105.150 3.6264  -3.816544      7.653357  
1 1 1 -9  33  27 o 102.783 3.1871  5771.48    354.806  6745.23    727.871  5467.99    406.353  109.662 6.1530  99.874  3.7565  9.788101       7.209032  
1 1 1 -9  33  28 o 29.130  2.0506  463.816    64.285   450.202    66.465   661.218    253.091  28.683  2.1552  33.470  7.1955  -4.787453      7.511298  
1 1 1 -9  33  29 o 25.611  7.2040  389.680    208.221  782.130    455.457  285.984    234.120  35.082  10.867  22.786  7.8393  12.29604       13.39962  
1 1 1 -9  33  30 o 22.571  7.4186  294.944    209.816  133.684    462.081  336.828    235.493  23.751  10.145  23.951  7.8588  -0.1994209     12.83296  
1 1 1 -9  33  31 o ?       ?       -188.3393  31.275   -194.8316  31.519   225.572    251.670  ?       ?       20.892  7.9827  0.000000       7.982728  
1 1 1 -9  33  32 o 32.409  7.5276  678.345    259.181  0.0000     0.0000   678.345    259.181  ?       ?       32.409  7.5276  0.000000       7.527566  
1 1 1 -9  33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  34  1  o 391.209 7.1163  83001.38   3015.32  81335.16   4659.08  84202.30   3955.43  386.860 11.119  393.831 9.2729  -6.970459      14.47839  
1 1 1 -9  34  2  o 476.137 8.6776  123039.60  4475.09  121696.00  6936.14  123997.80  5857.25  472.795 13.545  477.624 11.322  -4.828857      17.65390  
1 1 1 -9  34  3  o 586.387 10.641  186837.30  6758.31  188134.59  8831.83  185004.30  10498.10 587.732 13.874  582.096 16.651  5.636475       21.67372  
1 1 1 -9  34  4  o 300.286 5.3816  48876.23   1750.30  48574.36   2474.50  49178.50   2476.11  299.222 7.6353  301.080 7.5931  -1.858002      10.76810  
1 1 1 -9  34  5  o 311.806 5.8844  52711.11   1987.26  51137.90   2614.89  54862.08   3057.57  306.982 7.8645  317.875 8.8808  -10.89340      11.86247  
1 1 1 -9  34  6  o 39.732  3.2667  861.034    139.335  967.514    200.166  760.936    194.075  42.016  4.4670  37.142  4.9474  4.874283       6.665633  
1 1 1 -9  34  7  o 242.739 5.1761  31942.58   1360.84  28941.47   2355.11  33446.86   1667.38  230.778 9.4221  248.333 6.1991  -17.55490      11.27847  
1 1 1 -9  34  8  o 252.433 6.5172  34571.77   1781.86  34660.19   2517.19  34482.95   2522.69  252.528 9.2031  251.877 9.2471  0.6508636      13.04631  
1 1 1 -9  34  9  o 345.602 9.9246  64983.89   3714.99  65232.07   4475.71  64434.16   6661.12  345.902 11.946  341.862 18.054  4.040192       21.64847  
1 1 1 -9  34  10 o 282.087 7.1263  43204.99   2177.28  43930.99   3078.27  42478.16   3080.02  284.089 10.004  279.327 10.181  4.762360       14.27330  
1 1 1 -9  34  11 o 223.576 4.7948  27104.80   1161.09  25419.43   1421.85  30478.17   2011.58  216.430 6.0655  236.827 7.8422  -20.39651      9.914135  
1 1 1 -9  34  12 o 165.095 3.4981  14771.90   625.506  15177.23   882.082  14361.91   887.136  167.285 4.8683  162.722 5.0336  4.563553       7.002677  
1 1 1 -9  34  13 o 179.716 3.6317  17506.46   706.904  17793.55   1000.85  17220.66   998.581  181.105 5.1023  178.161 5.1749  2.943756       7.267275  
1 1 1 -9  34  14 o 323.140 5.6092  56678.22   1963.20  56672.61   2777.38  56683.83   2775.41  322.753 7.9450  322.786 7.9386  -0.3317261E-01 11.23138  
1 1 1 -9  34  15 o 84.908  2.6858  3906.43    246.993  4039.86    332.859  3742.94    368.449  86.327  3.5599  83.080  4.0946  3.246338       5.425746  
1 1 1 -9  34  16 o 52.350  3.3796  1491.79    190.604  1513.88    279.102  1472.48    260.925  52.584  4.9591  51.883  4.6940  0.7005310      6.828357  
1 1 1 -9  34  17 o 198.422 3.9012  21353.78   838.408  21225.94   1187.62  21480.79   1183.77  197.675 5.5470  198.864 5.4959  -1.188721      7.808575  
1 1 1 -9  34  18 o 117.124 3.0587  7436.84    388.023  6917.86    554.751  7933.95    542.934  112.892 4.5370  120.922 4.1455  -8.029846      6.145626  
1 1 1 -9  34  19 o 179.757 3.6421  17530.89   709.111  17789.57   1417.49  17444.55   818.952  180.593 7.2469  179.258 4.2180  1.334457       8.385025  
1 1 1 -9  34  20 o 12.821  5.5915  -29.6436   146.182  -265.2302  292.981  48.446     168.679  15.492  7.2067  15.554  6.3437  -0.6207371E-01 9.601053  
1 1 1 -9  34  21 o 113.349 2.9793  6972.42    365.767  7372.59    738.494  6842.35    421.036  116.059 5.8942  112.246 3.4632  3.812706       6.836365  
1 1 1 -9  34  22 o 119.593 3.0555  7768.33    395.780  8014.70    800.532  7688.63    455.319  120.789 6.1392  118.920 3.5350  1.869751       7.084214  
1 1 1 -9  34  23 o 105.971 2.9694  6103.45    340.825  5709.09    673.619  6239.15    395.134  101.718 6.1431  107.082 3.4069  -5.364388      7.024598  
1 1 1 -9  34  24 o 171.863 3.5474  16095.44   660.328  17114.58   1336.04  15766.02   759.588  175.641 7.0230  169.910 4.1275  5.731430       8.146121  
1 1 1 -9  34  25 o 64.791  2.4935  2281.98    174.983  2172.08    513.235  2296.43    186.135  61.745  7.8520  64.981  2.6447  -3.235790      8.285466  
1 1 1 -9  34  26 o 47.582  2.1316  1230.13    109.855  1264.39    121.169  1071.93    260.362  48.225  2.3198  43.653  5.6385  4.571774       6.097021  
1 1 1 -9  34  27 o 34.941  6.0071  699.632    219.141  621.367    454.177  723.382    250.191  32.575  10.922  35.301  6.7901  -2.725960      12.86075  
1 1 1 -9  34  28 o 112.212 3.1600  6892.03    384.062  6598.96    703.631  7016.40    458.365  108.146 6.0311  112.977 3.7459  -4.830666      7.099680  
1 1 1 -9  34  29 o 53.241  2.7068  1553.15    155.574  2358.68    521.394  1474.42    162.999  63.268  7.7721  51.822  2.9159  11.44639       8.301103  
1 1 1 -9  34  30 o 32.974  6.3597  644.979    218.899  1195.04    478.408  499.324    246.181  42.613  10.446  28.492  7.7652  14.12068       13.01615  
1 1 1 -9  34  31 o 63.223  4.0684  2257.25    277.116  2132.54    566.753  2296.44    317.681  56.595  9.5882  63.371  4.6612  -6.775948      10.66118  
1 1 1 -9  34  32 o 19.061  8.1730  95.992     301.969  0.0000     0.0000   95.992     301.969  ?       ?       19.061  8.1730  0.000000       8.173032  
1 1 1 -9  34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  35  1  o 747.687 17.379  305521.50  14073.82 334449.00  19904.70 276601.59  19902.09 779.313 23.582  707.470 25.973  71.84320       35.08112  
1 1 1 -9  35  2  o 140.804 3.3349  10740.33   508.595  10321.56   718.945  11159.83   719.578  138.006 4.8098  143.505 4.6296  -5.498505      6.675868  
1 1 1 -9  35  3  o 571.256 10.431  177331.50  6454.07  173184.50  8435.26  183187.50  10023.80 563.814 13.813  579.285 15.976  -15.47119      21.11961  
1 1 1 -9  35  4  o 281.287 5.2037  42887.02   1585.38  43414.04   2241.54  42359.50   2242.58  282.888 7.3158  279.424 7.4099  3.463135       10.41289  
1 1 1 -9  35  5  o 476.999 8.5215  123530.60  4402.53  125132.00  5761.94  121284.20  6824.23  479.660 11.091  471.774 13.355  7.886078       17.35996  
1 1 1 -9  35  6  o 67.677  2.4516  2481.00    179.703  2751.43    288.694  2309.93    229.610  71.160  3.7590  65.297  3.2466  5.863350       4.966937  
1 1 1 -9  35  7  o 175.587 3.5450  16705.16   674.186  16302.39   953.625  17107.63   953.261  173.411 5.0773  177.646 4.9543  -4.235550      7.093956  
1 1 1 -9  35  8  o 169.986 3.4022  15656.49   626.390  14732.27   883.940  16588.73   887.773  164.845 4.9508  174.933 4.6855  -10.08826      6.816516  
1 1 1 -9  35  9  o 349.841 8.5541  66516.97   3241.26  65765.02   4582.19  67269.99   4585.47  347.221 12.184  351.199 12.055  -3.977203      17.13981  
1 1 1 -9  35  10 o 186.802 5.2491  18924.96   1062.03  19951.83   1506.45  17910.32   1497.45  191.676 7.2563  181.579 7.6141  10.09636       10.51801  
1 1 1 -9  35  11 f 310.966 7.7159  52548.79   2598.78  49429.81   3674.33  55670.83   3676.12  301.009 11.270  319.578 10.620  -18.56900      15.48580  
1 1 1 -9  35  12 o 156.720 4.7409  13320.14   804.744  13376.76   1141.40  13264.17   1134.79  156.941 6.7148  156.279 6.7042  0.6611938      9.488606  
1 1 1 -9  35  13 o 51.530  3.4321  1445.52    190.458  1646.39    283.073  1279.38    257.445  54.884  4.8104  48.307  4.9925  6.577477       6.932899  
1 1 1 -9  35  14 o 123.795 3.0626  8305.22    410.644  8676.58    581.906  7936.83    579.579  126.492 4.2474  120.973 4.4234  5.519203       6.132393  
1 1 1 -9  35  15 o 219.078 4.4403  26033.02   1053.61  25918.55   1603.10  26120.07   1397.95  218.366 6.7780  219.313 5.8851  -0.9465332     8.976459  
1 1 1 -9  35  16 o 64.008  3.1406  2220.69    217.732  2413.44    316.526  2047.57    299.978  66.554  4.4161  61.265  4.5533  5.289249       6.343068  
1 1 1 -9  35  17 o 140.834 3.2372  10752.78   493.795  10570.00   700.919  10932.88   695.772  139.554 4.6372  141.936 4.5259  -2.382660      6.479764  
1 1 1 -9  35  18 o 282.143 5.0338  43238.55   1538.29  43930.70   2177.29  42548.72   2173.65  283.979 7.0788  279.453 7.1814  4.526337       10.08377  
1 1 1 -9  35  19 o 65.276  2.9794  2310.44    210.641  1631.24    377.836  2616.74    253.730  54.330  6.5532  69.455  3.3728  -15.12557      7.370256  
1 1 1 -9  35  20 o 254.055 4.6469  35093.66   1278.68  33565.44   2555.74  35603.92   1476.80  246.877 9.5580  255.734 5.3317  -8.856888      10.94449  
1 1 1 -9  35  21 o 87.612  2.9086  4165.54    275.999  3962.02    551.346  4233.60    318.823  84.944  6.0319  88.295  3.3338  -3.351532      6.891897  
1 1 1 -9  35  22 o 214.676 4.1047  25096.45   954.404  25319.12   1908.03  25022.14   1102.20  213.846 8.2378  214.157 4.7518  -0.3112335     9.510092  
1 1 1 -9  35  23 o 21.201  6.2265  251.720    152.386  290.194    294.068  237.596    178.174  24.473  8.7562  21.052  6.8324  3.420938       11.10643  
1 1 1 -9  35  24 o 105.597 3.0284  6066.76    346.369  7086.44    722.082  5762.01    394.749  113.248 5.9074  102.823 3.5446  10.42538       6.889181  
1 1 1 -9  35  25 o 66.295  3.5169  2405.24    251.630  2644.58    524.475  2333.68    286.793  68.442  7.1821  65.180  4.0830  3.261940       8.261584  
1 1 1 -9  35  26 o 30.372  6.3104  532.068    200.804  684.509    432.106  490.080    226.779  34.007  10.593  28.971  7.2458  5.035673       12.83430  
1 1 1 -9  35  27 o 72.133  3.4428  2848.27    268.976  2609.00    561.226  2919.62    306.466  67.162  7.8640  72.821  3.8997  -5.659042      8.777802  
1 1 1 -9  35  28 f 117.235 3.2524  7530.05    412.979  7070.85    841.464  7675.75    473.991  111.090 7.0297  118.162 3.7036  -7.072121      7.945641  
1 1 1 -9  35  29 o 37.657  2.6492  778.602    107.365  653.205    118.193  1370.40    256.765  34.359  3.2133  49.342  4.8680  -14.98299      5.832897  
1 1 1 -9  35  30 f 30.275  6.8330  553.840    218.745  440.827    475.395  584.195    246.376  28.112  10.911  30.859  7.4549  -2.747154      13.21433  
1 1 1 -9  35  31 o 99.165  3.1279  5453.50    335.955  5134.37    746.353  5534.59    376.224  90.855  7.6558  99.615  3.4870  -8.760147      8.412495  
1 1 1 -9  35  32 o 19.362  8.2426  115.774    303.160  0.0000     0.0000   115.774    303.160  ?       ?       19.362  8.2426  0.000000       8.242604  
1 1 1 -9  35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  36  1  o 526.380 8.8530  150430.70  5047.28  150408.50  7138.06  150453.00  7137.82  525.674 12.537  525.752 12.535  -0.7836914E-01 17.72838  
1 1 1 -9  36  2  o 242.234 4.4906  31797.81   1178.19  32587.51   1666.20  31008.10   1666.22  245.147 6.2752  239.125 6.4334  6.022339       8.987031  
1 1 1 -9  36  3  o 111.396 2.8523  6722.03    344.147  6123.41    487.204  7318.17    486.191  106.303 4.2315  116.218 3.8625  -9.914581      5.729244  
1 1 1 -9  36  4  o 380.697 6.6385  78608.60   2737.30  79184.46   3870.76  78032.52   3871.49  381.798 9.3604  379.001 9.4312  2.796143       13.28773  
1 1 1 -9  36  5  o 388.110 6.6746  81708.96   2805.76  81798.87   3967.21  81618.99   3968.67  388.002 9.4402  387.573 9.4541  0.4287415      13.36030  
1 1 1 -9  36  6  o 276.193 4.8082  41349.14   1438.36  41105.91   2033.56  41592.64   2034.73  275.251 6.8212  276.878 6.7850  -1.627502      9.621019  
1 1 1 -9  36  7  o 185.202 3.6715  18586.05   736.487  18670.69   1040.77  18501.16   1042.33  185.570 5.1782  184.724 5.2097  0.8456879      7.345370  
1 1 1 -9  36  8  o 289.926 5.4678  45585.14   1717.00  46137.91   2264.11  44836.94   2634.08  291.531 7.1704  287.255 8.4663  4.276062       11.09469  
1 1 1 -9  36  9  o 326.348 5.6068  57768.55   1981.83  57237.84   2802.03  58299.79   2803.43  324.583 7.9703  327.590 7.9011  -3.006226      11.22291  
1 1 1 -9  36  10 o 252.325 6.5031  34558.84   1777.25  33604.22   2511.65  35516.14   2515.18  248.513 9.3312  255.516 9.0883  -7.002853      13.02569  
1 1 1 -9  36  11 o 268.282 6.8217  39087.69   1982.24  37008.54   2801.58  41171.99   2805.04  260.643 9.9240  274.995 9.4177  -14.35107      13.68133  
1 1 1 -9  36  12 o 252.585 6.5148  34645.55   1782.29  35338.79   2522.21  33954.14   2518.88  254.761 9.1407  249.694 9.3138  5.066605       13.04990  
1 1 1 -9  36  13 o 126.811 4.4467  8720.75    610.749  8034.46    882.889  9350.54    845.765  121.424 6.7397  131.238 5.9500  -9.813820      8.990355  
1 1 1 -9  36  14 o 136.158 3.6323  10049.89   535.671  10508.12   660.468  9169.05    915.709  139.196 4.3808  129.747 6.5371  9.449463       7.869288  
1 1 1 -9  36  15 o 206.411 3.9630  23102.55   885.981  23637.63   1254.83  22570.63   1251.11  208.659 5.5524  203.885 5.6655  4.774292       7.932651  
1 1 1 -9  36  16 o 578.072 9.6901  182529.09  6067.09  177893.20  8580.89  187163.30  8579.43  568.089 13.946  582.962 13.588  -14.87305      19.47086  
1 1 1 -9  36  17 o 157.740 3.4007  13491.05   581.012  13642.05   822.721  13340.82   820.633  158.526 4.7916  156.763 4.8332  1.763245       6.805838  
1 1 1 -9  36  18 o 138.277 3.2429  10368.19   485.681  9545.14    689.938  11176.71   683.818  132.573 4.8049  143.489 4.4000  -10.91656      6.515133  
1 1 1 -9  36  19 o 24.411  6.1140  337.214    161.302  410.655    307.108  309.236    189.553  27.765  8.9659  23.621  6.9465  4.143694       11.34199  
1 1 1 -9  36  20 o 48.333  3.6436  1275.59    189.341  1615.32    372.608  1157.33    219.840  54.011  6.4999  45.922  4.4768  8.088856       7.892426  
1 1 1 -9  36  21 o 39.356  3.9895  850.826    167.708  1095.32    336.732  770.174    193.401  44.107  7.3042  37.280  4.9092  6.827835       8.800674  
1 1 1 -9  36  22 o 100.860 2.8345  5524.35    309.642  5353.27    567.012  5597.06    369.622  98.803  5.3181  101.464 3.3634  -2.661446      6.292405  
1 1 1 -9  36  23 o 25.100  5.8351  359.849    155.622  177.781    298.701  427.681    182.321  22.172  8.6365  27.336  6.2888  -5.163908      10.68354  
1 1 1 -9  36  24 o 65.426  2.4784  2325.60    175.625  2024.12    513.982  2365.45    186.873  59.608  8.1765  65.972  2.6153  -6.363884      8.584562  
1 1 1 -9  36  25 o 69.889  2.6847  2657.46    203.227  2542.12    279.220  2787.38    296.357  68.095  3.8010  71.302  3.8517  -3.207329      5.411431  
1 1 1 -9  36  26 o 68.920  3.4779  2602.52    258.784  2826.69    544.692  2537.17    294.096  70.530  7.2326  67.916  4.0159  2.613525       8.272717  
1 1 1 -9  36  27 o 56.611  2.2633  1743.90    138.774  1877.57    163.152  1394.15    263.905  58.700  2.5662  49.941  4.9438  8.759163       5.570149  
1 1 1 -9  36  28 o 64.191  3.7007  2273.13    256.204  2370.92    543.023  2245.13    290.580  63.470  8.0825  63.611  4.2419  -0.1403046     9.128008  
1 1 1 -9  36  29 o 16.562  1.7049  150.683    30.147   151.998    30.324   39.008     279.422  16.635  1.7073  18.534  7.9022  -1.899544      8.084558  
1 1 1 -9  36  30 o 49.225  4.7086  1375.17    247.983  2129.30    514.163  1146.57    283.085  58.815  8.3021  44.250  6.0662  14.56574       10.28220  
1 1 1 -9  36  31 o 90.501  3.4145  4565.75    334.693  6051.85    701.353  4127.52    380.857  100.386 6.4852  85.501  4.1127  14.88511       7.679298  
1 1 1 -9  36  32 o 21.321  9.5422  67.027     453.100  0.0000     0.0000   67.027     453.100  ?       ?       21.321  9.5422  0.000000       9.542222  
1 1 1 -9  36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  37  1  o 280.289 5.4374  42588.83   1650.69  42641.26   2178.26  42518.12   2529.84  280.355 7.1735  279.862 8.3460  0.4930420      11.00522  
1 1 1 -9  37  2  o 344.908 6.0439  64506.09   2257.81  63716.57   3192.84  65295.80   3193.21  342.566 8.6052  346.796 8.5012  -4.230072      12.09633  
1 1 1 -9  37  3  o 364.792 6.1768  72165.04   2440.49  74348.86   3451.24  69980.88   3451.50  370.032 8.6112  358.968 8.8773  11.06409       12.36772  
1 1 1 -9  37  4  o 298.844 5.6420  48422.34   1826.21  48455.68   2803.79  48397.77   2406.73  298.705 8.6663  298.636 7.4407  0.6845093E-01  11.42230  
1 1 1 -9  37  5  o 176.630 3.4567  16903.34   661.299  16748.05   934.515  17059.10   935.922  175.774 4.9086  177.400 4.8710  -1.626022      6.915279  
1 1 1 -9  37  6  o 78.362  2.6227  3326.45    222.598  3314.03    313.933  3339.01    315.678  78.205  3.7062  78.499  3.7129  -0.2940750     5.246127  
1 1 1 -9  37  7  o 349.823 5.9142  66378.81   2240.88  64832.06   3168.14  67927.41   3170.03  345.435 8.4677  353.611 8.2769  -8.175751      11.84101  
1 1 1 -9  37  8  o 277.506 4.9346  41754.31   1483.18  42036.88   2096.65  41471.27   2098.41  278.281 6.9562  276.398 7.0095  1.883453       9.875309  
1 1 1 -9  37  9  o 323.392 5.5315  56727.43   1937.51  55654.74   2739.13  57801.55   2740.97  320.055 7.9017  326.188 7.7583  -6.133484      11.07372  
1 1 1 -9  37  10 o 60.277  3.5327  1975.79    229.629  1971.38    390.412  1978.11    283.935  59.964  6.0960  60.246  4.3814  -0.2820854     7.507181  
1 1 1 -9  37  11 o 254.249 6.5491  35100.09   1803.47  34117.53   2549.13  36084.77   2551.87  250.315 9.4023  257.467 9.1509  -7.152420      13.12035  
1 1 1 -9  37  12 o 153.484 4.7386  12776.73   787.735  12623.94   1126.38  12923.00   1102.07  152.441 6.8220  154.252 6.5964  -1.810669      9.489576  
1 1 1 -9  37  13 o 162.139 4.8500  14260.71   851.717  14026.47   1208.84  14491.63   1200.23  160.660 6.9469  163.315 6.7853  -2.655106      9.710781  
1 1 1 -9  37  14 o 336.866 8.3267  61782.72   3038.10  57097.13   4297.52  66463.99   4295.54  322.832 12.291  348.594 11.377  -25.76227      16.74793  
1 1 1 -9  37  15 o 19.173  7.2655  141.326    207.393  28.736     339.642  208.266    261.887  20.963  8.8140  22.205  8.2155  -1.242426      12.04912  
1 1 1 -9  37  16 o 106.816 3.0303  6184.30    350.586  6484.17    509.565  5914.76    483.100  109.327 4.3033  104.418 4.2716  4.909233       6.063430  
1 1 1 -9  37  17 o 96.326  2.8390  5029.17    296.196  5734.37    402.008  4191.73    438.082  102.830 3.6095  87.757  4.6253  15.07324       5.866984  
1 1 1 -9  37  18 o 80.395  3.2477  3505.01    282.795  3559.53    417.966  3458.98    384.047  80.813  4.7967  79.694  4.4673  1.119339       6.554758  
1 1 1 -9  37  19 o 219.261 4.8170  26131.52   1143.94  27158.85   1978.54  25615.66   1402.04  222.751 8.2008  216.872 5.9688  5.879440       10.14292  
1 1 1 -9  37  20 o 215.912 4.1053  25335.46   960.055  22480.25   1915.55  26293.27   1109.46  202.124 8.7499  219.844 4.6594  -17.71976      9.913154  
1 1 1 -9  37  21 o 129.332 3.1170  9082.72    436.624  9479.02    870.236  8949.40    504.754  131.625 6.1042  128.318 3.6318  3.307220       7.102891  
1 1 1 -9  37  22 o 135.065 3.1397  9914.79    459.309  8390.18    916.044  10426.81   530.863  123.226 6.8911  138.441 3.5403  -15.21529      7.747312  
1 1 1 -9  37  23 o 136.782 3.1638  10177.90   468.714  9257.45    923.460  10497.31   543.995  129.315 6.6154  138.816 3.6181  -9.501221      7.540182  
1 1 1 -9  37  24 o 120.414 3.1765  7895.10    414.285  8305.43    816.738  7752.94    480.719  122.436 6.1788  119.204 3.7233  3.232101       7.213943  
1 1 1 -9  37  25 f 102.831 3.1575  5763.84    351.670  4912.71    717.617  6032.84    403.433  93.450  7.1441  105.114 3.5436  -11.66467      7.974643  
1 1 1 -9  37  26 o 39.365  5.0551  869.181    210.554  1105.73    448.818  802.430    238.418  42.808  9.8804  37.515  6.0753  5.293324       11.59880  
1 1 1 -9  37  27 o 41.299  4.9404  957.719    216.603  803.103    461.648  1001.36    245.277  36.074  10.897  42.063  5.5167  -5.989372      12.21369  
1 1 1 -9  37  28 o 24.830  6.7205  363.188    185.150  528.263    443.541  328.353    203.751  30.258  10.761  23.765  7.2528  6.493151       12.97739  
1 1 1 -9  37  29 o 26.450  7.1604  419.316    210.159  414.623    455.369  420.587    236.897  28.023  10.731  26.457  7.7615  1.566170       13.24337  
1 1 1 -9  37  30 o 29.030  1.7071  460.474    53.439   461.887    54.618   428.823    258.550  29.070  1.7427  26.284  8.1953  2.785490       8.378575  
1 1 1 -9  37  31 o 53.200  4.4535  1620.16    254.257  1165.54    544.413  1746.98    287.542  38.771  11.860  54.963  4.8809  -16.19233      12.82501  
1 1 1 -9  37  32 o 25.385  10.449  394.224    463.009  0.0000     0.0000   394.224    463.009  ?       ?       25.385  10.449  0.000000       10.44949  
1 1 1 -9  37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  38  1  o 209.015 3.9676  23672.78   898.218  22698.57   1270.17  24647.31   1270.37  204.605 5.7316  213.217 5.5010  -8.612335      7.944307  
1 1 1 -9  38  2  o 341.708 5.9585  63317.88   2205.28  63696.71   3118.65  62939.00   3118.82  342.504 8.4068  340.455 8.4579  2.048737       11.92517  
1 1 1 -9  38  3  o 460.723 8.4648  115268.50  4224.01  115633.80  6544.71  115007.80  5529.99  460.568 13.120  459.747 11.105  0.8209839      17.18892  
1 1 1 -9  38  4  o 193.929 3.6352  20377.75   763.564  20622.59   1078.89  20132.04   1080.80  195.041 5.1072  192.704 5.1782  2.336487       7.273067  
1 1 1 -9  38  5  o 232.443 4.3153  29282.91   1086.43  29846.60   1535.66  28718.05   1537.24  234.581 6.0441  230.096 6.1682  4.485016       8.635851  
1 1 1 -9  38  6  o 191.274 3.6408  19824.75   754.263  18992.46   1066.05  20659.04   1067.33  187.155 5.2590  195.204 5.0483  -8.048248      7.289862  
1 1 1 -9  38  7  o 253.706 4.9163  34897.89   1350.94  34496.18   1787.46  35433.03   2063.07  252.130 6.5455  255.453 7.4564  -3.323547      9.921789  
1 1 1 -9  38  8  f 151.816 3.0950  12487.84   508.922  12428.18   718.167  12548.01   721.292  151.417 4.3791  152.145 4.3771  -0.7282715     6.191517  
1 1 1 -9  38  9  o 321.317 5.5217  56004.14   1921.64  56290.90   2716.54  55716.93   2718.69  321.877 7.7921  320.225 7.8385  1.651428       11.05259  
1 1 1 -9  38  10 o 246.435 5.2343  32941.80   1397.11  33512.73   2416.55  32655.16   1712.27  248.171 8.9903  245.258 6.4458  2.912842       11.06227  
1 1 1 -9  38  11 o 304.863 5.3474  50423.48   1765.70  50541.72   2496.13  50305.06   2498.02  304.947 7.5574  304.229 7.5810  0.7181702      10.70448  
1 1 1 -9  38  12 o 231.188 4.2754  28980.76   1070.57  26788.34   1512.49  31182.06   1515.56  222.111 6.2871  239.679 5.8381  -17.56786      8.579700  
1 1 1 -9  38  13 o 150.573 5.0499  12301.06   823.568  12252.54   1083.60  12367.42   1267.24  150.173 6.6621  150.587 7.7963  -0.4137726     10.25504  
1 1 1 -9  38  14 o 72.163  4.2780  2834.08    332.880  2208.65    488.763  3375.17    454.617  63.323  7.2574  78.675  5.3671  -15.35246      9.026406  
1 1 1 -9  38  15 o 22.993  7.5274  275.817    216.095  146.789    349.057  355.999    275.166  23.165  9.2393  26.050  8.4925  -2.885191      12.54937  
1 1 1 -9  38  16 o 49.900  5.1177  1366.04    272.683  1303.02    429.584  1408.57    352.892  48.176  8.5458  50.466  6.6155  -2.290035      10.80717  
1 1 1 -9  38  17 o 228.937 4.9602  28461.04   1229.94  28857.98   1510.00  27678.54   2120.14  230.375 6.0516  225.136 8.6946  5.239365       10.59331  
1 1 1 -9  38  18 o 233.184 4.3449  29521.02   1097.36  29774.07   1554.86  29269.88   1548.97  233.888 6.1378  231.894 6.1671  1.994308       8.700933  
1 1 1 -9  38  19 o 112.274 3.5848  6841.29    435.929  6822.93    760.024  6850.30    532.169  111.696 6.3081  112.288 4.3757  -0.5926361     7.677185  
1 1 1 -9  38  20 o 115.037 3.0273  7181.29    377.198  6872.57    733.433  7292.31    439.821  112.033 6.0669  115.883 3.5042  -3.849426      7.006151  
1 1 1 -9  38  21 o 166.369 3.6093  15046.64   650.373  14169.89   1523.45  15242.05   719.205  159.710 8.8414  167.380 3.9672  -7.669174      9.690618  
1 1 1 -9  38  22 o 81.247  2.6097  3584.07    229.654  3717.81    367.588  3498.46    294.120  82.591  4.1092  80.200  3.3860  2.391182       5.324508  
1 1 1 -9  38  23 o 54.027  3.5582  1596.82    207.050  1664.22    378.163  1567.97    247.432  54.532  6.5327  53.408  4.3142  1.123589       7.828663  
1 1 1 -9  38  24 o 99.970  3.1476  5442.27    340.819  5443.23    695.216  5441.96    391.032  98.886  6.5278  99.880  3.6146  -0.9945374     7.461751  
1 1 1 -9  38  25 o 68.626  3.5546  2578.70    263.306  2987.07    533.491  2447.19    302.749  72.847  6.8417  66.700  4.2124  6.146843       8.034504  
1 1 1 -9  38  26 o 82.675  2.8099  3725.30    251.613  3710.66    384.196  3736.30    332.948  82.043  4.3390  82.599  3.7216  -0.5562592     5.716382  
1 1 1 -9  38  27 o 22.200  7.2188  274.851    198.864  250.431    431.324  281.443    224.105  25.607  10.251  22.709  7.6719  2.897942       12.80393  
1 1 1 -9  38  28 o 26.780  1.5639  390.825    45.165   393.224    46.066   331.232    229.583  26.860  1.5905  24.025  7.7514  2.835039       7.912935  
1 1 1 -9  38  29 f 38.035  5.5492  832.333    221.877  1197.86    481.415  733.748    250.014  43.083  10.429  35.166  6.8101  7.917057       12.45530  
1 1 1 -9  38  30 o 65.800  2.6289  2376.89    187.359  2479.69    238.869  2212.53    302.042  66.951  3.2941  62.539  4.4890  4.411781       5.567937  
1 1 1 -9  38  31 o 18.588  7.3345  158.090    217.796  660.917    480.372  27.982     244.355  30.213  11.137  16.726  7.2625  13.48705       13.29542  
1 1 1 -9  38  32 o 19.094  9.1357  -356.7638  535.617  0.0000     0.0000   -356.7638  535.617  ?       ?       19.094  9.1357  0.000000       9.135734  
1 1 1 -9  38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  39  1  o 54.822  2.8568  1632.56    169.047  1489.27    240.280  1773.00    237.874  52.246  4.2838  57.070  3.8712  -4.823658      5.773809  
1 1 1 -9  39  2  o 329.419 6.3005  58860.48   2248.00  56424.23   2955.56  62204.31   3462.59  322.325 8.4660  338.313 9.4496  -15.98853      12.68728  
1 1 1 -9  39  3  o 142.773 3.2797  11043.93   507.171  10350.47   716.207  11741.44   718.293  138.184 4.7853  147.184 4.5058  -9.000229      6.572779  
1 1 1 -9  39  4  o 375.070 6.3566  76314.74   2582.30  73566.60   3651.11  79065.33   3652.74  367.916 9.1623  381.465 8.8408  -13.54880      12.73219  
1 1 1 -9  39  5  o 71.380  2.4564  2759.98    189.907  2675.39    243.127  2892.35    304.140  70.271  3.1944  72.955  3.8628  -2.684036      5.012496  
1 1 1 -9  39  6  o 243.320 4.4262  32091.64   1166.50  31561.33   1648.37  32623.63   1650.98  241.187 6.3100  245.219 6.2161  -4.032104      8.857556  
1 1 1 -9  39  7  o 135.366 3.0975  9928.05    454.138  9985.89    642.725  9870.38    641.771  135.728 4.3721  134.940 4.3911  0.7878265      6.196470  
1 1 1 -9  39  8  f 484.889 8.0138  127754.20  4208.71  126002.50  5951.02  129507.00  5953.01  480.725 11.429  487.408 11.276  -6.683075      16.05589  
1 1 1 -9  39  9  o 104.843 2.8596  5955.50    324.723  5887.15    458.244  6024.45    460.218  104.215 4.0597  105.424 4.0304  -1.209007      5.720648  
1 1 1 -9  39  10 o 265.525 7.8915  38325.59   2269.52  38072.42   2771.07  38841.39   3955.33  264.396 9.6766  265.939 13.779  -1.542328      16.83751  
1 1 1 -9  39  11 o 158.082 3.3615  13543.36   575.553  13396.09   811.653  13692.30   816.276  157.162 4.7682  158.891 4.7431  -1.729294      6.725548  
1 1 1 -9  39  12 o 179.710 3.6314  17505.75   706.833  17562.74   997.912  17448.36   1001.32  179.921 5.1208  179.332 5.1552  0.5890198      7.266310  
1 1 1 -9  39  13 o 250.960 4.5848  34160.74   1246.21  34389.89   1762.29  33931.53   1762.54  251.606 6.4667  249.919 6.5113  1.687744       9.176932  
1 1 1 -9  39  14 o 278.084 7.0121  42042.64   2112.00  44555.16   2990.81  39543.49   2982.84  285.771 9.6627  269.099 10.234  16.67245       14.07496  
1 1 1 -9  39  15 o 266.369 6.7794  38581.57   1955.88  40466.52   2771.38  36711.10   2760.72  272.287 9.3972  259.250 9.8318  13.03778       13.60044  
1 1 1 -9  39  16 o 157.305 4.8560  13432.44   827.354  12783.37   1182.83  14054.21   1157.69  153.249 7.1261  160.739 6.6497  -7.489746      9.746792  
1 1 1 -9  39  17 f 191.311 5.4851  19890.17   1136.57  19147.31   1629.77  20593.52   1585.84  187.330 8.0325  194.363 7.5331  -7.033203      11.01219  
1 1 1 -9  39  18 o 166.637 4.9284  15089.14   889.498  15914.99   1276.26  14309.05   1240.39  170.858 6.8966  161.981 7.0701  8.876999       9.876674  
1 1 1 -9  39  19 o 352.908 6.1167  67898.24   2338.02  67290.13   3307.99  68505.23   3304.94  350.123 8.7231  353.317 8.6363  -3.194061      12.27515  
1 1 1 -9  39  20 o 173.190 3.7574  16297.83   704.827  16152.83   1353.86  16351.75   825.520  171.634 7.2829  173.370 4.3963  -1.736237      8.506885  
1 1 1 -9  39  21 o 136.875 3.2073  10178.24   475.481  11178.46   959.659  9852.81    547.395  142.820 6.2038  134.589 3.7551  8.230515       7.251758  
1 1 1 -9  39  22 o 143.497 3.2447  11197.69   504.295  12248.36   1017.27  10855.35   580.668  149.225 6.2939  141.178 3.7974  8.047424       7.350797  
1 1 1 -9  39  23 o 27.893  5.6448  442.603    164.681  368.829    302.963  473.542    196.198  26.380  8.9201  28.737  6.4605  -2.357658      11.01394  
1 1 1 -9  39  24 o 90.758  3.1830  4486.96    312.893  4214.73    640.470  4572.30    358.599  86.792  6.8693  91.539  3.6169  -4.747513      7.763326  
1 1 1 -9  39  25 o 34.630  2.0360  653.517    76.029   636.940    80.463   791.592    232.226  34.170  2.1856  37.356  5.9384  -3.186111      6.327783  
1 1 1 -9  39  26 o 52.927  4.1531  1547.85    236.166  1246.29    485.784  1641.18    270.251  45.298  10.153  54.379  4.6326  -9.081646      11.15963  
1 1 1 -9  39  27 o 29.084  6.6029  495.593    203.247  502.191    441.252  493.815    228.985  30.014  10.727  28.889  7.3117  1.124090       12.98216  
1 1 1 -9  39  28 o 54.735  4.1915  1665.36    246.600  1448.06    507.084  1732.67    282.220  48.232  10.034  55.645  4.7274  -7.413769      11.09153  
1 1 1 -9  39  29 o 29.617  1.7944  479.014    57.290   705.700    468.291  475.570    57.723   33.132  11.091  29.507  1.8149  3.625154       11.23817  
1 1 1 -9  39  30 o 24.580  7.4601  373.254    215.996  -89.8854   471.198  496.463    243.035  20.865  9.4962  28.069  7.7426  -7.204185      12.25259  
1 1 1 -9  39  31 o 15.634  6.7871  17.353     213.352  -60.0013   471.311  37.290     239.271  20.635  9.4326  16.730  7.2253  3.905266       11.88183  
1 1 1 -9  39  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  39  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  40  1  o 275.086 4.8850  41021.75   1455.48  39822.82   2058.22  42221.00   2058.49  270.893 7.0150  278.946 6.8133  -8.053833      9.779097  
1 1 1 -9  40  2  o 213.280 4.1157  24651.94   950.748  23591.11   1344.23  25713.80   1344.89  208.559 5.9508  217.753 5.7023  -9.194199      8.241889  
1 1 1 -9  40  3  o 271.651 4.9938  40006.72   1469.30  40597.79   2077.83  39415.58   2077.96  273.507 7.0141  269.487 7.1192  4.020355       9.994016  
1 1 1 -9  40  4  f 73.310  2.5898  2911.37    205.637  2899.58    288.911  2923.47    292.755  73.151  3.6465  73.358  3.6965  -0.2071228     5.192367  
1 1 1 -9  40  5  o 172.537 3.5396  16130.79   661.466  15858.25   934.318  16404.66   936.594  171.022 5.0440  173.946 4.9713  -2.924301      7.082039  
1 1 1 -9  40  6  o 398.885 6.8644  86362.70   2965.68  89379.24   4193.79  83345.24   4194.41  405.360 9.5520  391.375 9.8948  13.98492       13.75313  
1 1 1 -9  40  7  o 344.812 5.9712  64505.01   2230.03  65096.74   3153.31  63912.95   3154.18  346.081 8.4124  342.908 8.4926  3.173035       11.95374  
1 1 1 -9  40  8  o 260.075 4.9703  36679.00   1400.07  37069.94   1851.76  36157.25   2139.22  261.329 6.5422  257.982 7.6559  3.347321       10.07042  
1 1 1 -9  40  9  o 77.062  2.4585  3217.18    205.201  3125.51    326.835  3276.83    263.639  75.829  3.9935  77.765  3.1301  -1.935532      5.074018  
1 1 1 -9  40  10 o 191.195 5.3423  19831.71   1106.30  19823.46   1561.54  19840.04   1567.58  190.987 7.5488  191.064 7.5750  -0.7752991E-01 10.69413  
1 1 1 -9  40  11 o 358.751 6.1764  69875.46   2399.93  69608.21   3392.98  70143.04   3395.04  357.608 8.7600  358.985 8.7317  -1.377045      12.36852  
1 1 1 -9  40  12 o 216.503 4.1160  25414.94   965.176  25886.38   1363.59  24941.58   1366.35  218.377 5.7651  214.344 5.8855  4.032822       8.238623  
1 1 1 -9  40  13 o 46.535  3.7539  1181.61    187.594  1211.76    276.730  1155.98    255.176  46.923  5.5528  45.858  5.2312  1.064739       7.628765  
1 1 1 -9  40  14 o 379.318 6.5112  78191.34   2675.06  76781.87   3783.70  79599.95   3782.51  375.203 9.3107  382.075 9.1403  -6.872437      13.04737  
1 1 1 -9  40  15 o 174.191 3.6171  16451.73   682.419  15986.12   969.895  16908.23   960.349  171.596 5.2185  176.492 5.0238  -4.895721      7.243722  
1 1 1 -9  40  16 o 190.623 5.3794  19736.95   1110.66  19598.41   1580.44  19872.13   1561.15  189.659 7.6937  191.001 7.5464  -1.341736      10.77688  
1 1 1 -9  40  17 o 89.585  4.2444  4355.82    411.840  4417.05    614.938  4306.01    554.586  89.869  6.3587  88.801  5.7979  1.068214       8.605152  
1 1 1 -9  40  18 o 184.084 5.2338  18426.33   1043.53  19146.51   1490.34  17733.63   1461.64  187.278 7.3473  180.208 7.4885  7.070160       10.49097  
1 1 1 -9  40  19 o 200.575 5.4896  21912.56   1192.58  23404.06   1702.53  20475.71   1671.04  206.745 7.6030  193.271 7.9827  13.47444       11.02406  
1 1 1 -9  40  20 o 133.560 4.4721  9708.44    646.938  0.0000     0.0000   9708.44    646.938  ?       ?       133.560 4.4721  0.000000       4.472137  
1 1 1 -9  40  21 o 102.298 2.8639  5682.41    317.319  5455.06    577.616  5780.68    379.757  99.756  5.3657  103.122 3.4000  -3.365822      6.352264  
1 1 1 -9  40  22 o 42.552  1.7797  981.860    82.023   1025.43    88.827   729.734    213.686  43.483  1.8861  36.055  5.6582  7.427685       5.964287  
1 1 1 -9  40  23 o 113.147 3.0600  6964.79    375.004  6059.62    698.445  7331.42    444.509  104.631 6.1907  115.997 3.5380  -11.36685      7.130386  
1 1 1 -9  40  24 o 72.781  3.3710  2888.28    265.739  2958.62    557.244  2867.57    302.330  72.472  7.1942  72.341  3.8726  0.1305618      8.170304  
1 1 1 -9  40  25 o 16.919  6.7600  85.678     187.181  3.8779     404.827  107.922    211.102  21.816  9.4100  18.187  7.2068  3.628717       11.85271  
1 1 1 -9  40  26 o 44.887  4.5184  1120.79    216.686  436.508    462.046  1313.71    245.338  29.311  10.899  48.575  4.7229  -19.26344      11.87828  
1 1 1 -9  40  27 o ?       ?       -325.2271  36.117   -328.8139  36.487   -150.8573  254.398  ?       ?       15.102  6.9131  0.000000       6.913109  
1 1 1 -9  40  28 o 44.243  4.7667  1100.37    224.812  1171.41    483.353  1080.76    253.952  43.011  10.473  43.583  5.5024  -0.5723190     11.83080  
1 1 1 -9  40  29 o 34.007  6.1751  679.842    219.070  811.247    473.566  644.067    247.098  35.052  11.114  32.671  7.1790  2.381321       13.23123  
1 1 1 -9  40  30 o 24.021  7.5106  356.676    216.981  811.776    474.966  236.648    243.921  33.723  11.166  21.073  7.9025  12.64986       13.67915  
1 1 1 -9  40  31 o 31.772  6.8432  631.646    228.537  392.700    493.340  696.933    257.875  26.058  10.763  33.068  7.3864  -7.010099      13.05360  
1 1 1 -9  40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  40  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  41  1  o 79.058  2.6195  3385.80    224.299  3241.09    317.987  3529.10    316.433  77.337  3.7962  80.702  3.6201  -3.365318      5.245649  
1 1 1 -9  41  2  o 266.257 5.1196  38436.98   1476.41  38271.35   2258.37  38560.60   1951.09  265.472 7.8543  266.569 6.7577  -1.096527      10.36126  
1 1 1 -9  41  3  o 490.427 8.2158  130653.60  4364.11  122094.60  6170.95  139217.20  6172.63  473.261 12.039  505.562 11.273  -32.30103      16.49254  
1 1 1 -9  41  4  o 454.439 7.6855  112146.50  3782.82  112337.20  5349.50  111955.90  5349.93  454.200 10.874  453.424 10.894  0.7759705      15.39218  
1 1 1 -9  41  5  o 316.789 5.6010  54429.63   1921.80  54774.48   2717.26  54084.50   2718.39  317.554 7.9003  315.541 7.9540  2.012878       11.21078  
1 1 1 -9  41  6  o 177.440 3.7096  17062.47   712.938  17240.39   959.161  16842.83   1065.73  178.314 4.9663  176.217 5.5838  2.096741       7.472849  
1 1 1 -9  41  7  o 47.448  3.0832  1224.98    157.592  1520.22    221.200  920.652    224.576  52.818  3.8941  40.876  5.1895  11.94190       6.488021  
1 1 1 -9  41  8  o 421.814 7.0919  96631.45   3240.07  94320.34   4582.00  98942.87   4582.30  416.117 10.166  426.250 9.9254  -10.13284      14.20814  
1 1 1 -9  41  9  o 487.882 7.9894  129399.80  4221.84  130401.00  5970.33  128398.40  5970.84  488.840 11.276  485.043 11.365  3.797333       16.01012  
1 1 1 -9  41  10 o 78.350  3.2748  3326.75    277.903  3164.78    334.577  3687.13    499.061  76.297  4.0634  82.237  5.6369  -5.940308      6.948818  
1 1 1 -9  41  11 o 195.001 3.8245  20613.13   807.764  21045.45   1142.19  20180.57   1142.51  196.941 5.3547  192.844 5.4700  4.097366       7.654600  
1 1 1 -9  41  12 o 267.888 5.1045  38937.19   1481.08  39492.77   1957.49  38193.22   2265.18  269.609 6.7034  264.970 7.8929  4.638855       10.35535  
1 1 1 -9  41  13 f 416.252 7.0974  94196.86   3199.83  93622.95   4524.47  94771.16   4526.02  414.166 10.086  416.716 10.028  -2.550690      14.22275  
1 1 1 -9  41  14 o 248.118 4.5423  33397.64   1220.70  34397.53   1726.64  32398.49   1726.01  251.598 6.3361  244.152 6.5270  7.445602       9.096613  
1 1 1 -9  41  15 o 196.763 3.8909  20997.00   829.205  20122.91   1173.16  21869.62   1172.18  192.472 5.6276  200.676 5.3930  -8.204437      7.794484  
1 1 1 -9  41  16 o 132.546 3.2648  9525.05    468.693  9475.11    677.025  9571.02    649.497  132.116 4.7313  132.797 4.5156  -0.6810455     6.540346  
1 1 1 -9  41  17 o 121.687 3.5162  8031.81    463.432  7711.49    813.100  8185.94    564.009  118.860 6.3388  122.805 4.2403  -3.945793      7.626355  
1 1 1 -9  41  18 o 136.296 4.6642  10094.81   688.547  9807.61    1013.71  10340.81   938.180  133.875 7.0155  137.754 6.2880  -3.879044      9.421006  
1 1 1 -9  41  19 o 153.746 4.9128  12864.46   818.085  12319.20   1192.23  13349.64   1124.62  149.998 7.3384  156.299 6.6432  -6.301514      9.898742  
1 1 1 -9  41  20 o 124.355 4.3234  8416.22    582.317  0.0000     0.0000   8416.22    582.317  ?       ?       124.355 4.3234  0.000000       4.323418  
1 1 1 -9  41  21 o 50.128  4.8708  1384.61    261.115  0.0000     0.0000   1384.61    261.115  ?       ?       50.128  4.8708  0.000000       4.870809  
1 1 1 -9  41  22 o 16.595  7.0193  15.515     217.487  0.0000     0.0000   15.515     217.487  ?       ?       16.595  7.0193  0.000000       7.019274  
1 1 1 -9  41  23 o 102.370 3.1467  5703.80    348.895  5505.76    682.599  5773.83    405.926  99.622  6.3594  102.909 3.6418  -3.287430      7.328336  
1 1 1 -9  41  24 o 42.313  4.9400  996.910    222.136  1195.58    471.634  940.275    251.816  44.843  9.9688  40.850  5.8593  3.993015       11.56321  
1 1 1 -9  41  25 o 17.243  6.9676  79.961     201.313  -98.4914   436.074  128.292    226.943  21.342  9.4681  19.091  7.5016  2.250158       12.07974  
1 1 1 -9  41  26 o 74.873  2.3740  3051.14    192.521  3172.67    315.145  2978.78    243.171  75.951  3.8435  73.863  3.0396  2.087936       4.900158  
1 1 1 -9  41  27 o 49.475  4.2781  1360.81    226.993  1534.58    484.194  1311.86    256.983  50.410  9.2074  48.350  4.9784  2.059887       10.46715  
1 1 1 -9  41  28 o 14.597  6.4292  -37.6783   197.548  296.206    435.025  -124.4157  221.728  26.054  10.339  14.182  6.4777  11.87205       12.20042  
1 1 1 -9  41  29 o 53.887  2.4366  1587.61    142.215  1587.73    165.923  1587.30    276.076  53.719  2.8620  52.938  4.8695  0.7811737      5.648345  
1 1 1 -9  41  30 o 51.445  2.0793  1447.53    115.861  1424.48    512.437  1448.77    118.941  45.082  10.662  51.453  2.1343  -6.371662      10.87352  
1 1 1 -9  41  31 o 50.317  1.9846  1385.62    108.159  1232.31    161.039  1511.61    145.986  46.968  3.1845  52.368  2.5738  -5.400734      4.094540  
1 1 1 -9  41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  41  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  42  1  o 106.493 2.8761  6143.94    331.741  5824.76    469.593  6461.93    468.712  103.668 4.1822  109.195 3.9631  -5.527504      5.761695  
1 1 1 -9  42  2  o 325.240 6.1003  57385.48   2148.93  58976.38   3308.01  56223.97   2826.56  329.344 9.2736  321.718 8.1117  7.625916       12.32070  
1 1 1 -9  42  3  o 257.466 4.7066  35936.35   1312.49  37400.35   1856.37  34473.09   1855.90  262.531 6.5285  252.026 6.7989  10.50465       9.425856  
1 1 1 -9  42  4  o 418.909 7.2315  95274.93   3281.10  90427.23   4639.31  100126.30  4641.05  407.540 10.510  428.950 9.9894  -21.40979      14.50010  
1 1 1 -9  42  5  o 215.735 4.2400  25227.43   990.745  24021.92   1498.53  26163.57   1320.54  210.385 6.5763  219.631 5.5512  -9.246338      8.606011  
1 1 1 -9  42  6  o 311.539 5.8643  52655.36   1978.78  52706.51   2604.59  52585.54   3043.15  311.487 7.7202  310.951 9.0357  0.5354919      11.88467  
1 1 1 -9  42  7  o 309.706 5.3700  52027.24   1801.33  50740.01   2546.65  53316.11   2548.27  305.594 7.6940  313.280 7.5101  -7.685730      10.75170  
1 1 1 -9  42  8  o 272.311 4.8762  40213.73   1438.20  39692.56   2032.73  40736.11   2035.11  270.347 6.9421  273.887 6.8604  -3.539825      9.759949  
1 1 1 -9  42  9  o 188.163 4.2877  19195.49   873.823  20235.61   1512.64  18674.54   1070.52  192.991 7.2365  185.535 5.3272  7.456558       8.985868  
1 1 1 -9  42  10 o 232.612 5.4387  29359.23   1370.25  29231.42   1538.22  29850.45   3015.57  232.046 6.1203  233.388 11.970  -1.342117      13.44372  
1 1 1 -9  42  11 o 79.317  2.9114  3409.00    250.114  3494.69    347.658  3317.06    360.099  80.287  3.9980  78.097  4.2733  2.189445       5.851912  
1 1 1 -9  42  12 o 118.605 3.0163  7623.27    387.486  7301.44    544.291  7953.99    551.760  116.034 4.3309  121.113 4.2062  -5.078934      6.037285  
1 1 1 -9  42  13 o 127.309 3.1098  8783.90    428.802  8258.44    603.339  9320.23    609.545  123.390 4.5145  131.092 4.2930  -7.702477      6.229822  
1 1 1 -9  42  14 o 173.696 3.5956  16357.38   676.453  15883.99   956.676  16830.71   956.623  171.061 5.1635  176.097 5.0156  -5.035675      7.198427  
1 1 1 -9  42  15 o 166.789 3.6971  15085.37   667.889  15044.46   992.616  15119.22   902.831  166.427 5.5067  166.884 4.9948  -0.4568939     7.434497  
1 1 1 -9  42  16 o 300.926 5.2958  49196.31   1726.08  48162.63   2438.38  50234.54   2443.72  297.259 7.5735  303.621 7.4310  -6.362915      10.61028  
1 1 1 -9  42  17 o 225.497 4.5241  27612.97   1104.95  26932.65   1679.41  28132.27   1467.26  222.282 6.9756  227.378 5.9578  -5.096344      9.173608  
1 1 1 -9  42  18 o 212.307 4.0834  24478.33   938.983  23805.78   1330.39  25145.93   1325.47  209.057 5.8755  214.899 5.6947  -5.841446      8.182303  
1 1 1 -9  42  19 o 103.457 4.2621  5819.48    477.583  5786.33    706.177  5847.43    648.334  102.718 6.3790  103.369 5.8144  -0.6515579     8.631246  
1 1 1 -9  42  20 o 34.584  5.3388  667.889    193.543  0.0000     0.0000   667.889    193.543  ?       ?       34.584  5.3388  0.000000       5.338763  
1 1 1 -9  42  21 o 74.752  4.1825  3054.73    337.276  0.0000     0.0000   3054.73    337.276  ?       ?       74.752  4.1825  0.000000       4.182541  
1 1 1 -9  42  22 o 46.299  5.4661  1191.84    268.819  0.0000     0.0000   1191.84    268.819  ?       ?       46.299  5.4661  0.000000       5.466058  
1 1 1 -9  42  23 o 77.559  4.6050  3305.18    385.112  0.0000     0.0000   3305.18    385.112  ?       ?       77.559  4.6050  0.000000       4.605043  
1 1 1 -9  42  24 o 39.106  7.0467  877.772    287.494  0.0000     0.0000   877.772    287.494  ?       ?       39.106  7.0467  0.000000       7.046749  
1 1 1 -9  42  25 o ?       ?       -253.1241  33.314   -265.9294  33.624   431.969    245.937  ?       ?       27.272  7.8818  0.000000       7.881775  
1 1 1 -9  42  26 o 31.733  6.4916  585.017    215.596  594.975    467.713  582.330    242.947  32.106  11.078  31.455  7.2759  0.6512432      13.25386  
1 1 1 -9  42  27 o 48.160  4.6084  1296.02    237.449  623.349    515.051  1477.58    267.582  32.575  11.595  51.362  4.8681  -18.78730      12.57581  
1 1 1 -9  42  28 o 89.812  3.3172  4429.50    322.685  4258.69    686.670  4477.91    365.564  85.415  7.4983  90.131  3.7447  -4.715836      8.381339  
1 1 1 -9  42  29 o 65.192  3.7581  2364.53    264.235  2966.14    557.643  2190.34    300.060  70.479  7.4164  62.393  4.4698  8.085812       8.659228  
1 1 1 -9  42  30 o 36.538  5.9637  798.904    227.865  1301.79    497.429  665.353    256.343  42.776  10.749  32.447  7.4513  10.32906       13.07943  
1 1 1 -9  42  31 o 33.336  1.7236  608.292    62.020   614.583    63.756   497.455    267.612  33.500  1.7633  27.368  8.3031  6.132063       8.488305  
1 1 1 -9  42  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  42  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  43  1  o 123.938 3.0421  8322.30    408.360  7874.86    577.816  8768.78    577.202  120.530 4.4261  127.194 4.1898  -6.663452      6.094654  
1 1 1 -9  43  2  o 332.456 6.2520  59969.63   2251.25  60058.64   3467.44  59904.77   2959.94  332.271 9.6349  332.046 8.2303  0.2247925      12.67154  
1 1 1 -9  43  3  o 153.700 3.3032  12800.36   549.896  12619.43   777.333  12981.59   778.009  152.568 4.7041  154.744 4.6420  -2.175949      6.608778  
1 1 1 -9  43  4  o 184.335 3.6008  18413.49   718.905  19025.73   1016.33  17800.40   1017.04  187.317 5.0094  181.176 5.1828  6.140350       7.208045  
1 1 1 -9  43  5  o 88.909  2.7025  4282.48    260.245  4273.48    367.380  4291.55    368.707  88.799  3.8198  88.986  3.8255  -0.1874008     5.406043  
1 1 1 -9  43  6  o 288.685 5.0569  45195.58   1581.19  43129.65   2234.98  47265.78   2237.29  281.795 7.3227  295.034 7.0013  -13.23972      10.13116  
1 1 1 -9  43  7  o 288.398 5.0690  45109.31   1583.36  45949.10   2238.47  44268.40   2239.96  290.864 7.1054  285.478 7.2443  5.385406       10.14729  
1 1 1 -9  43  8  o 467.374 7.7257  118720.20  3910.88  116602.80  5529.97  120839.00  5531.66  462.326 11.043  470.709 10.850  -8.382751      15.48166  
1 1 1 -9  43  9  o 210.617 4.5867  24055.19   1046.32  23138.17   1811.34  24514.41   1281.80  206.270 8.1076  212.551 5.5678  -6.280060      9.835374  
1 1 1 -9  43  10 o 194.920 4.3077  20601.19   909.434  19653.47   1110.47  22531.45   1584.80  190.317 5.3872  203.622 7.1859  -13.30476      8.981008  
1 1 1 -9  43  11 o 255.682 4.6317  35457.07   1282.65  34115.37   1811.74  36805.33   1816.16  250.593 6.6751  260.314 6.4415  -9.720291      9.276292  
1 1 1 -9  43  12 o 225.367 4.2437  27542.94   1035.88  27998.21   1463.38  27085.72   1466.53  227.074 5.9501  223.331 6.0628  3.742279       8.494728  
1 1 1 -9  43  13 o 224.487 4.2381  27331.32   1030.46  26845.80   1457.68  27816.31   1456.90  222.315 6.0537  226.310 5.9437  -3.994980      8.483807  
1 1 1 -9  43  14 o 147.825 3.3181  11846.04   531.268  11727.01   754.744  11962.93   747.954  147.004 4.7402  148.481 4.6509  -1.476974      6.640811  
1 1 1 -9  43  15 o 168.379 3.6961  15374.92   674.069  15356.89   1007.67  15389.52   906.835  168.137 5.5333  168.365 4.9728  -0.2283173     7.439560  
1 1 1 -9  43  16 o 107.211 3.0568  6231.59    354.961  6101.71    506.265  6357.19    497.824  106.024 4.4086  108.230 4.2468  -2.205849      6.121347  
1 1 1 -9  43  17 o 125.901 3.2443  8597.05    442.403  7773.07    635.558  9371.59    616.195  119.600 4.9063  131.373 4.3305  -11.77293      6.544090  
1 1 1 -9  43  18 o 124.442 3.1727  8401.59    427.630  8441.60    605.521  8361.78    604.003  124.626 4.4859  124.034 4.4960  0.5915756      6.351200  
1 1 1 -9  43  19 o 38.758  4.4650  827.960    184.010  506.520    279.001  1075.42    244.800  29.902  8.3138  44.120  5.2242  -14.21850      9.818908  
1 1 1 -9  43  20 o 131.899 3.7057  9460.66    529.399  9737.72    963.362  9340.79    633.653  133.029 6.7077  130.938 4.4680  2.091476       8.059564  
1 1 1 -9  43  21 o 31.288  6.3284  556.938    207.087  0.0000     0.0000   556.938    207.087  ?       ?       31.288  6.3284  0.000000       6.328361  
1 1 1 -9  43  22 o 49.341  5.7509  1355.45    301.571  0.0000     0.0000   1355.45    301.571  ?       ?       49.341  5.7509  0.000000       5.750926  
1 1 1 -9  43  23 o 51.428  5.6251  1473.45    308.221  0.0000     0.0000   1473.45    308.221  ?       ?       51.428  5.6251  0.000000       5.625079  
1 1 1 -9  43  24 o 62.687  2.9585  2140.13    200.872  0.0000     0.0000   2140.13    200.872  ?       ?       62.687  2.9585  0.000000       2.958524  
1 1 1 -9  43  25 o 20.916  8.1223  170.147    263.566  0.0000     0.0000   170.147    263.566  ?       ?       20.916  8.1223  0.000000       8.122300  
1 1 1 -9  43  26 o 36.481  7.5289  783.197    287.622  0.0000     0.0000   783.197    287.622  ?       ?       36.481  7.5289  0.000000       7.528872  
1 1 1 -9  43  27 o 39.057  5.5676  869.677    228.857  941.437    495.290  850.197    258.058  38.464  11.205  38.294  6.4511  0.1697807      12.92951  
1 1 1 -9  43  28 o 46.856  1.5208  1192.60    77.182   1189.52    112.764  1195.31    105.865  46.713  2.2288  46.846  2.0865  -0.1325874     3.052994  
1 1 1 -9  43  29 o 46.181  2.5498  1172.06    127.045  1812.18    545.952  1135.41    130.631  52.844  9.9026  45.420  2.6671  7.423702       10.25545  
1 1 1 -9  43  30 o 51.866  4.7087  1545.86    261.637  1077.73    562.647  1675.02    295.533  37.247  12.144  53.713  5.1428  -16.46537      13.18797  
1 1 1 -9  43  31 o 23.920  8.5264  363.764    278.586  0.0000     0.0000   363.764    278.586  ?       ?       23.920  8.5264  0.000000       8.526433  
1 1 1 -9  43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  43  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  44  1  o 408.889 6.8522  90754.97   3034.62  92547.54   4291.96  88963.00   4291.24  412.440 9.6078  404.336 9.7987  8.103516       13.72316  
1 1 1 -9  44  2  o 53.300  1.8985  1538.76    109.600  1506.69    215.111  1550.00    127.372  52.590  3.8021  53.493  2.1984  -0.9022751     4.391922  
1 1 1 -9  44  3  o 118.552 2.9499  7614.72    378.778  7476.27    537.506  7751.28    533.858  117.442 4.2256  119.586 4.1217  -2.143166      5.902893  
1 1 1 -9  44  4  o 127.463 2.9077  8802.35    401.417  9049.66    567.305  8554.37    568.074  129.214 4.0536  125.625 4.1750  3.588951       5.819130  
1 1 1 -9  44  5  o 357.959 6.3054  69542.14   2444.65  69416.05   3456.89  69668.28   3457.62  357.246 8.9341  357.897 8.9197  -0.6510010     12.62451  
1 1 1 -9  44  6  o 232.302 4.2844  29254.92   1077.99  28594.65   1523.16  29917.54   1525.86  229.540 6.1265  234.800 5.9999  -5.259857      8.575170  
1 1 1 -9  44  7  o 377.186 6.9839  77268.35   2853.13  76319.95   3742.82  78583.95   4408.21  374.463 9.2283  379.645 10.720  -5.181549      14.14532  
1 1 1 -9  44  8  o 397.808 7.2433  85981.02   3120.89  88349.71   4091.91  82686.95   4825.46  402.807 9.3790  389.166 11.448  13.64127       14.79951  
1 1 1 -9  44  9  o 52.310  2.2935  1482.36    129.941  1670.82    360.002  1454.13    139.334  55.140  6.1318  51.808  2.4831  3.331959       6.615500  
1 1 1 -9  44  10 o 59.036  3.6038  1896.18    229.335  1885.90    273.335  1920.62    421.497  58.816  4.3209  59.085  6.7051  -0.2692375     7.976744  
1 1 1 -9  44  11 o 268.088 4.7994  38986.86   1393.59  39117.28   1969.01  38855.96   1972.68  268.314 6.7754  267.411 6.8109  0.9023743      9.607009  
1 1 1 -9  44  12 o 90.881  2.8234  4475.66    277.916  4301.12    415.871  4616.52    373.587  89.055  4.3115  92.279  3.7378  -3.223846      5.706167  
1 1 1 -9  44  13 o 79.339  2.9988  3411.52    257.698  3184.36    359.597  3651.34    369.483  76.496  4.3582  81.945  4.1768  -5.448830      6.036522  
1 1 1 -9  44  14 o 35.963  4.7484  714.042    180.435  760.127    250.929  664.700    259.642  36.849  6.5260  34.312  7.2154  2.537125       9.728857  
1 1 1 -9  44  15 o 168.773 3.5398  15446.03   647.076  15332.24   916.118  15559.32   914.093  168.037 5.0336  169.281 4.9855  -1.244095      7.084662  
1 1 1 -9  44  16 o 340.766 6.2539  63191.19   2308.24  64828.34   3035.78  60947.69   3553.76  344.577 8.1342  333.477 9.8390  11.10071       12.76603  
1 1 1 -9  44  17 o 184.344 3.5850  18439.37   715.795  18934.27   1017.50  17954.46   1007.16  186.625 5.0338  181.720 5.1171  4.904526       7.177989  
1 1 1 -9  44  18 o 68.870  3.2104  2573.74    239.471  2802.95    349.549  2371.02    328.736  71.659  4.5269  65.869  4.6374  5.789719       6.480629  
1 1 1 -9  44  19 o 140.949 3.3001  10787.83   503.803  10671.64   723.871  10896.99   701.619  139.982 4.7744  141.484 4.5785  -1.502213      6.614969  
1 1 1 -9  44  20 o 49.636  3.7524  1347.79    200.244  1083.87    301.696  1555.61    267.714  43.980  6.5320  53.206  4.6937  -9.226192      8.043489  
1 1 1 -9  44  21 o 44.814  3.8882  1102.21    186.858  636.080    389.453  1241.60    212.973  33.369  9.9926  47.538  4.1788  -14.16933      10.83117  
1 1 1 -9  44  22 o 49.416  2.4925  1329.61    132.973  1154.85    156.863  1775.89    250.667  45.963  3.1703  56.898  4.0949  -10.93507      5.178741  
1 1 1 -9  44  23 o 66.300  4.8751  2425.27    347.624  0.0000     0.0000   2425.27    347.624  ?       ?       66.300  4.8751  0.000000       4.875120  
1 1 1 -9  44  24 o 95.552  4.4395  5009.39    459.450  0.0000     0.0000   5009.39    459.450  ?       ?       95.552  4.4395  0.000000       4.439456  
1 1 1 -9  44  25 o 37.416  7.3762  815.593    288.300  0.0000     0.0000   815.593    288.300  ?       ?       37.416  7.3762  0.000000       7.376214  
1 1 1 -9  44  26 o 65.305  5.0238  2378.26    352.616  0.0000     0.0000   2378.26    352.616  ?       ?       65.305  5.0238  0.000000       5.023757  
1 1 1 -9  44  27 o 82.302  4.6758  3769.99    415.087  0.0000     0.0000   3769.99    415.087  ?       ?       82.302  4.6758  0.000000       4.675774  
1 1 1 -9  44  28 o 20.121  8.1732  132.979    278.576  0.0000     0.0000   132.979    278.576  ?       ?       20.121  8.1732  0.000000       8.173213  
1 1 1 -9  44  29 o 31.119  7.7656  605.532    260.900  0.0000     0.0000   605.532    260.900  ?       ?       31.119  7.7656  0.000000       7.765585  
1 1 1 -9  44  30 o 36.727  6.4639  821.541    247.736  999.445    392.641  703.876    319.319  38.283  9.5116  32.452  8.8434  5.830654       12.98757  
1 1 1 -9  44  31 o 31.284  11.757  767.351    540.421  0.0000     0.0000   767.351    540.421  ?       ?       31.284  11.757  0.000000       11.75656  
1 1 1 -9  44  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  44  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  45  1  o 166.001 3.2270  14931.28   580.196  14554.39   820.851  15307.56   820.193  163.845 4.6255  168.036 4.5065  -4.190704      6.457891  
1 1 1 -9  45  2  o 149.814 3.2868  12161.57   533.325  11781.33   753.672  12542.94   754.799  147.408 4.7205  152.104 4.5817  -4.695175      6.578363  
1 1 1 -9  45  3  o 162.012 3.6965  14224.95   648.648  14257.76   919.034  14192.37   915.630  162.139 5.2333  161.767 5.2259  0.3719025      7.395756  
1 1 1 -9  45  4  o 224.683 4.3796  27367.66   1065.79  25812.36   1616.09  28564.73   1417.81  218.039 6.8432  229.460 5.7048  -11.42041      8.909230  
1 1 1 -9  45  5  o 328.384 5.7624  58508.99   2049.53  57690.48   2898.03  59328.01   2898.93  325.764 8.2135  330.372 8.1015  -4.608124      11.53673  
1 1 1 -9  45  6  o 204.849 3.9750  22746.27   881.955  22914.30   1246.25  22577.69   1248.30  205.511 5.5989  203.993 5.6498  1.518494       7.954092  
1 1 1 -9  45  7  o 188.486 3.8975  19257.62   795.671  19397.27   1066.85  19082.58   1194.42  189.100 5.2089  187.517 5.8809  1.582764       7.856060  
1 1 1 -9  45  8  o 155.109 3.4281  13038.90   575.922  13156.53   783.922  12900.96   848.908  155.759 4.6468  154.218 5.0822  1.540955       6.886332  
1 1 1 -9  45  9  o 122.899 3.4728  8186.23    462.266  8006.52    801.414  8275.83    565.895  121.286 6.1204  123.546 4.2290  -2.259102      7.439322  
1 1 1 -9  45  10 o 249.794 4.5016  33839.27   1217.92  33424.96   1720.35  34255.58   1724.46  248.080 6.4026  251.151 6.3394  -3.070572      9.010056  
1 1 1 -9  45  11 o 28.781  5.2224  463.414    156.799  543.809    214.086  370.383    230.295  31.056  6.5697  25.917  7.6667  5.139404       10.09649  
1 1 1 -9  45  12 o 95.968  2.9258  4991.07    304.114  4992.02    425.022  4990.08    435.328  95.946  4.0899  95.925  4.1900  0.2184296E-01  5.855220  
1 1 1 -9  45  13 o 48.075  3.7050  1260.56    191.432  1564.80    264.616  926.511    277.280  53.506  4.6111  40.788  6.4943  12.71889       7.964793  
1 1 1 -9  45  14 o 196.510 3.8699  20942.94   823.661  20634.14   1163.36  21253.31   1166.31  194.910 5.5107  197.820 5.4434  -2.909805      7.745908  
1 1 1 -9  45  15 f 242.645 4.4908  31956.58   1180.23  31543.89   1669.33  32369.04   1668.86  240.794 6.4007  243.938 6.3164  -3.143646      8.992546  
1 1 1 -9  45  16 o 53.081  3.6327  1535.65    207.595  1510.83    301.434  1558.04    286.316  52.446  5.3828  53.316  5.0172  -0.8694077     7.358418  
1 1 1 -9  45  17 o 25.453  6.3267  367.016    173.663  329.584    258.677  397.730    234.318  25.068  8.2371  26.681  7.6882  -1.612923      11.26762  
1 1 1 -9  45  18 o 169.997 3.5956  15692.58   662.033  15450.85   943.572  15926.95   929.108  168.441 5.1720  171.045 5.0152  -2.603821      7.204272  
1 1 1 -9  45  19 o 161.034 3.4725  14088.67   605.669  13742.26   860.907  14428.15   852.249  158.768 5.0064  162.718 4.8357  -3.950104      6.960459  
1 1 1 -9  45  20 o 230.068 4.3300  28848.37   1078.98  29074.24   1529.42  28624.56   1522.42  230.232 6.1332  228.436 6.1532  1.796814       8.687806  
1 1 1 -9  45  21 o 63.474  3.2487  2197.07    222.598  2184.36    457.135  2201.02    254.853  62.551  6.8600  63.462  3.7240  -0.9109192     7.805619  
1 1 1 -9  45  22 o 46.464  4.1182  1187.82    205.101  1283.81    398.142  1153.14    239.296  47.349  8.0518  45.621  4.9208  1.728119       9.436368  
1 1 1 -9  45  23 o 56.919  3.7702  1776.75    231.110  2496.72    496.578  1577.68    261.112  66.615  6.9865  53.462  4.5527  13.15237       8.338982  
1 1 1 -9  45  24 f 75.726  2.8018  3122.15    229.799  3059.95    324.283  3184.89    325.690  74.650  4.0256  76.180  3.9609  -1.529510      5.647498  
1 1 1 -9  45  25 o 45.279  6.3712  1167.60    303.813  0.0000     0.0000   1167.60    303.813  ?       ?       45.279  6.3712  0.000000       6.371190  
1 1 1 -9  45  26 o 41.728  6.8474  1008.55    298.734  0.0000     0.0000   1008.55    298.734  ?       ?       41.728  6.8474  0.000000       6.847409  
1 1 1 -9  45  27 o 41.586  6.9630  1010.31    302.539  0.0000     0.0000   1010.31    302.539  ?       ?       41.586  6.9630  0.000000       6.963038  
1 1 1 -9  45  28 o 56.527  6.0374  1838.51    363.916  0.0000     0.0000   1838.51    363.916  ?       ?       56.527  6.0374  0.000000       6.037353  
1 1 1 -9  45  29 o 27.117  9.1986  464.975    322.183  0.0000     0.0000   464.975    322.183  ?       ?       27.117  9.1986  0.000000       9.198596  
1 1 1 -9  45  30 o 17.467  8.0327  -129.4479  348.899  0.0000     0.0000   -129.4479  348.899  ?       ?       17.467  8.0327  0.000000       8.032670  
1 1 1 -9  45  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  45  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  45  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  46  1  o 275.256 5.3244  41095.20   1587.37  40155.27   2431.31  41793.53   2095.66  271.793 8.2591  277.431 6.9742  -5.637726      10.80982  
1 1 1 -9  46  2  o 81.476  2.6569  3596.43    234.462  3691.84    332.287  3501.83    330.875  82.535  3.7171  80.381  3.8005  2.153435       5.316087  
1 1 1 -9  46  3  o 206.445 3.9387  23100.79   880.706  23457.04   1245.86  22744.96   1245.16  207.943 5.5316  204.758 5.6145  3.185837       7.881747  
1 1 1 -9  46  4  o 361.064 6.2504  70757.88   2444.33  69485.94   3455.75  72031.39   3457.87  357.391 8.9275  363.907 8.7730  -6.515472      12.51661  
1 1 1 -9  46  5  o 351.188 6.0410  66933.51   2297.85  65320.74   3248.68  68548.21   3250.63  346.544 8.6552  355.038 8.4532  -8.493713      12.09832  
1 1 1 -9  46  6  o 180.759 3.8152  17710.14   746.938  17509.15   1117.48  17872.46   1004.23  179.630 5.7437  181.522 5.1078  -1.891861      7.686325  
1 1 1 -9  46  7  o 136.014 3.1255  10024.70   460.444  10040.02   650.219  10009.28   652.118  136.076 4.4117  135.867 4.4314  0.2092133      6.253042  
1 1 1 -9  46  8  o 234.981 4.3445  29939.20   1105.72  30253.12   1561.97  29623.88   1565.48  236.068 6.1089  233.593 6.1875  2.475235       8.695109  
1 1 1 -9  46  9  o 133.663 4.4175  9688.13    639.527  9658.85    903.887  9717.47    904.970  133.372 6.2572  133.776 6.2458  -0.4047546     8.840933  
1 1 1 -9  46  10 o 149.888 3.4987  12177.36   567.995  12167.50   772.855  12188.93   837.575  149.771 4.7643  149.882 5.1595  -0.1108246     7.022738  
1 1 1 -9  46  11 o 92.286  2.9558  4615.34    295.453  4732.96    407.494  4484.98    429.001  93.428  4.0269  90.938  4.3555  2.489967       5.931838  
1 1 1 -9  46  12 o 28.000  5.7221  441.276    167.675  310.440    237.714  570.830    236.547  24.303  7.8920  31.782  7.0557  -7.478592      10.58614  
1 1 1 -9  46  13 o 188.415 3.7787  19250.42   771.136  18428.69   1090.62  20071.93   1090.48  184.218 5.4660  192.277 5.2362  -8.059448      7.569396  
1 1 1 -9  46  14 o 141.128 3.2934  10797.88   503.422  10336.63   708.687  11267.72   715.252  138.000 4.7414  144.092 4.5830  -6.091980      6.594274  
1 1 1 -9  46  15 o 216.426 4.1483  25417.78   972.410  25428.77   1377.80  25406.88   1372.60  216.253 5.8824  216.163 5.8626  0.9022522E-01  8.305013  
1 1 1 -9  46  16 o 83.470  3.0289  3777.96    273.834  3960.51    391.909  3603.82    382.772  85.410  4.2365  81.352  4.3600  4.058601       6.079258  
1 1 1 -9  46  17 o 273.927 4.9661  40811.20   1473.40  40510.29   2086.54  41110.49   2080.87  272.315 7.0743  274.349 7.0028  -2.033875      9.954171  
1 1 1 -9  46  18 o 129.132 3.1628  9050.52    442.356  8814.03    630.097  9280.36    621.170  127.279 4.5707  130.626 4.3905  -3.347084      6.337764  
1 1 1 -9  46  19 o 193.814 3.8387  20428.60   805.820  19837.89   1142.50  21013.35   1136.72  190.560 5.5355  196.180 5.3497  -5.620697      7.698105  
1 1 1 -9  46  20 o 150.935 3.3488  12387.03   547.462  12174.11   779.921  12593.85   768.658  149.311 4.8227  151.902 4.6720  -2.590927      6.714560  
1 1 1 -9  46  21 o 91.752  2.7595  4573.90    274.227  4963.35    599.690  4470.94    308.355  94.863  5.8654  90.670  3.1399  4.193016       6.652967  
1 1 1 -9  46  22 o 54.976  2.4134  1641.59    143.705  1390.21    425.489  1673.95    152.677  49.217  8.2755  55.506  2.5396  -6.289139      8.656375  
1 1 1 -9  46  23 o 27.835  6.8902  448.173    206.615  450.435    428.968  447.490    235.765  29.566  10.576  27.810  7.6074  1.755882       13.02775  
1 1 1 -9  46  24 o 20.538  7.3224  207.950    205.474  274.254    426.297  187.885    234.514  26.257  10.293  20.667  7.7489  5.590458       12.88345  
1 1 1 -9  46  25 o 33.252  6.3282  638.059    219.588  475.379    456.477  687.039    250.473  29.917  10.882  34.343  6.9717  -4.426895      12.92365  
1 1 1 -9  46  26 o 26.008  7.3551  397.752    216.443  451.458    457.110  382.231    245.736  29.232  10.846  25.668  7.9874  3.563953       13.47004  
1 1 1 -9  46  27 o 36.897  5.8327  782.886    225.345  1255.54    485.894  653.366    254.353  44.741  10.247  33.144  7.2841  11.59747       12.57233  
1 1 1 -9  46  28 o 28.331  8.6989  494.225    292.571  0.0000     0.0000   494.225    292.571  ?       ?       28.331  8.6989  0.000000       8.698937  
1 1 1 -9  46  29 o 16.141  7.4569  -161.4187  305.601  0.0000     0.0000   -161.4187  305.601  ?       ?       16.141  7.4569  0.000000       7.456900  
1 1 1 -9  46  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  46  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  46  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  46  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  47  1  o 367.591 6.6606  73360.97   2651.86  70408.06   4092.05  75499.01   3481.97  359.444 10.511  372.592 8.6282  -13.14771      13.59872  
1 1 1 -9  47  2  o 98.346  2.5644  5239.81    273.155  4792.19    373.447  5754.83    400.576  94.033  3.6667  103.047 3.5890  -9.014267      5.130896  
1 1 1 -9  47  3  o 111.707 2.7200  6760.65    329.093  6420.66    464.990  7101.88    465.827  108.837 3.9446  114.469 3.7572  -5.632912      5.447577  
1 1 1 -9  47  4  o 253.762 4.9194  34922.70   1352.11  35149.30   1789.44  34621.16   2064.20  254.450 6.4930  252.422 7.5501  2.028381       9.958088  
1 1 1 -9  47  5  o 384.890 6.5924  80436.72   2748.23  80503.55   3886.18  80369.85   3886.98  384.545 9.3305  384.223 9.3402  0.3215637      13.20222  
1 1 1 -9  47  6  o 162.895 3.3897  14380.17   598.046  13790.79   844.062  14974.33   847.478  159.460 4.8871  166.171 4.7087  -6.710526      6.786443  
1 1 1 -9  47  7  o 243.974 4.4320  32275.58   1171.14  32248.46   1655.51  32302.75   1656.98  243.717 6.2716  243.922 6.2718  -0.2050171     8.869529  
1 1 1 -9  47  8  o 157.675 3.3590  13473.85   573.644  13473.67   811.709  13474.03   810.802  157.614 4.7548  157.617 4.7494  -0.2319336E-02 6.720537  
1 1 1 -9  47  9  o 291.633 7.2983  46230.37   2305.30  43045.98   3258.12  49422.88   3262.27  280.810 10.712  301.044 10.005  -20.23462      14.65792  
1 1 1 -9  47  10 o 399.062 6.7639  86530.90   2923.53  86286.76   4133.53  86775.26   4135.47  397.828 9.5930  398.959 9.5703  -1.130829      13.55053  
1 1 1 -9  47  11 o 85.198  2.7285  3933.30    251.781  4297.14    391.784  3677.31    328.629  89.020  4.0634  82.359  3.6840  6.660614       5.484811  
1 1 1 -9  47  12 o 143.814 3.2643  11210.98   508.464  11182.39   719.484  11239.51   718.671  143.565 4.6270  143.932 4.6100  -0.3671265     6.531599  
1 1 1 -9  47  13 o 172.514 3.7325  16138.29   697.418  16242.82   940.439  16010.55   1039.59  172.980 5.0195  171.690 5.5905  1.290176       7.513285  
1 1 1 -9  47  14 o 267.465 4.8386  38838.04   1401.72  39358.63   1981.36  38316.43   1983.29  268.925 6.8024  265.321 6.9015  3.603516       9.690388  
1 1 1 -9  47  15 o 298.323 5.3052  48364.45   1714.20  48196.20   2423.59  48532.89   2424.91  297.281 7.5270  298.324 7.5048  -1.042755      10.62907  
1 1 1 -9  47  16 o 124.526 3.0736  8409.62    414.555  8792.10    590.692  8038.38    581.945  127.241 4.2861  121.655 4.4166  5.586533       6.154405  
1 1 1 -9  47  17 o 179.399 3.7329  17475.33   725.326  17704.51   978.546  17195.87   1080.56  180.381 5.0086  177.663 5.6154  2.718018       7.524558  
1 1 1 -9  47  18 o 113.011 3.0592  6931.83    374.448  6640.04    534.711  7212.62    524.533  110.467 4.4691  115.163 4.2052  -4.695694      6.136480  
1 1 1 -9  47  19 o 98.237  2.9268  5239.83    311.415  5051.54    432.602  5442.36    448.651  96.330  4.1463  99.987  4.1428  -3.657402      5.861256  
1 1 1 -9  47  20 o 43.189  4.1355  1025.77    191.087  1147.93    301.545  943.790    247.014  45.285  6.3201  41.120  5.6995  4.165600       8.510500  
1 1 1 -9  47  21 o 55.627  3.6527  1692.75    218.851  2198.64    424.438  1509.53    255.424  62.866  6.3191  52.365  4.5487  10.50063       7.785951  
1 1 1 -9  47  22 o 80.566  3.1443  3533.51    274.378  3170.65    537.435  3661.42    319.096  75.366  6.6521  81.945  3.5952  -6.578880      7.561473  
1 1 1 -9  47  23 o 36.728  2.5662  737.030    101.440  635.372    110.446  1285.24    256.479  34.024  3.0287  48.098  4.9961  -14.07481      5.842487  
1 1 1 -9  47  24 o 53.441  4.2014  1576.11    241.224  1539.18    492.587  1587.76    276.669  51.069  9.2459  53.481  4.8284  -2.411957      10.43069  
1 1 1 -9  47  25 o 88.318  3.3447  4265.99    319.947  3919.72    649.151  4377.09    367.711  82.864  7.3077  89.333  3.8003  -6.469505      8.236804  
1 1 1 -9  47  26 o 94.481  3.3315  4890.67    340.921  4428.73    688.109  5040.95    392.477  87.749  7.3065  95.761  3.7840  -8.012321      8.228248  
1 1 1 -9  47  27 o 40.117  5.3858  916.648    228.107  965.034    486.950  903.045    258.188  38.726  11.060  39.491  6.2438  -0.7658386     12.70100  
1 1 1 -9  47  28 o 41.081  5.6755  976.922    245.786  1149.47    500.595  922.113    282.134  41.385  10.985  39.324  6.8745  2.061428       12.95870  
1 1 1 -9  47  29 o 36.094  1.4188  708.739    55.468   504.010    77.821   920.149    79.081   30.221  2.3972  41.074  1.7776  -10.85334      2.984331  
1 1 1 -9  47  30 o 39.909  11.883  1234.03    551.885  1234.03    551.885  0.0000     0.0000   39.909  11.883  ?       ?       0.000000       11.88265  
1 1 1 -9  47  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  47  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  48  1  o 429.058 7.1791  99995.74   3336.22  107166.80  4719.37  92832.13   4716.90  443.594 9.8226  412.683 10.553  30.91116       14.41690  
1 1 1 -9  48  2  o 168.872 3.8248  15457.23   699.589  15474.82   990.544  15439.72   988.197  168.895 5.4148  168.704 5.4081  0.1912689      7.652999  
1 1 1 -9  48  3  o 187.028 3.7804  18959.44   765.792  17394.30   1081.75  20531.78   1084.24  179.053 5.5780  194.559 5.1452  -15.50604      7.588622  
1 1 1 -9  48  4  o 177.228 3.7494  17024.63   719.731  16926.44   970.143  17144.83   1073.38  176.654 5.0704  177.761 5.5750  -1.106964      7.535883  
1 1 1 -9  48  5  o 117.528 2.8449  7484.08    362.136  7713.08    512.193  7255.18    512.082  119.284 3.9644  115.686 4.0869  3.598450       5.693782  
1 1 1 -9  48  6  f 51.084  2.8689  1418.42    158.092  1321.79    224.929  1512.76    222.245  49.191  4.2639  52.681  3.9231  -3.490036      5.794096  
1 1 1 -9  48  7  o 349.609 6.0349  66350.51   2285.19  67815.73   3231.35  64884.56   3232.14  353.043 8.4506  345.292 8.6424  7.751038       12.08729  
1 1 1 -9  48  8  o 277.754 4.9463  41849.35   1488.03  42296.66   2104.50  41402.12   2104.29  279.005 6.9641  276.030 7.0385  2.975983       9.901476  
1 1 1 -9  48  9  o 193.328 4.4252  20269.20   926.604  21237.49   1133.25  18316.09   1609.48  197.833 5.2888  183.477 8.0990  14.35597       9.672963  
1 1 1 -9  48  10 o 134.846 3.1103  9854.52    454.265  9730.81    639.414  9980.60    645.483  133.948 4.4073  135.657 4.3931  -1.708969      6.222882  
1 1 1 -9  48  11 o 235.312 4.3785  30033.76   1115.94  29909.09   1577.51  30158.65   1578.85  234.638 6.2073  235.617 6.1868  -0.9793091     8.763950  
1 1 1 -9  48  12 o 249.327 4.5708  33728.51   1234.33  33303.67   1743.72  34155.19   1747.49  247.514 6.5044  250.668 6.4364  -3.154175      9.150677  
1 1 1 -9  48  13 o 143.875 3.2982  11222.01   513.961  11513.56   728.791  10933.55   724.926  145.658 4.6195  141.935 4.7156  3.722488       6.601270  
1 1 1 -9  48  14 o 204.431 3.9983  22673.37   885.302  23502.67   1253.52  21848.08   1250.49  207.960 5.5652  200.482 5.7589  7.478546       8.008504  
1 1 1 -9  48  15 o 71.833  3.1707  2798.08    246.689  2769.37    345.873  2827.81    351.948  71.274  4.5035  72.022  4.5349  -0.7477188     6.391180  
1 1 1 -9  48  16 o 233.960 4.3792  29734.82   1109.70  28983.67   1569.25  30486.17   1569.45  230.610 6.2827  236.549 6.1257  -5.938751      8.774754  
1 1 1 -9  48  17 o 226.033 4.3008  27773.00   1052.91  26543.93   1492.29  28991.41   1485.80  220.514 6.2481  230.541 5.9504  -10.02704      8.628167  
1 1 1 -9  48  18 o 50.258  3.6257  1379.59    196.042  1149.60    287.853  1578.56    267.730  45.483  5.9888  53.642  4.6543  -8.158447      7.584731  
1 1 1 -9  48  19 o 80.795  2.9639  3545.25    259.367  3701.97    382.813  3412.26    352.643  82.320  4.3085  79.052  4.1330  3.267754       5.970304  
1 1 1 -9  48  20 o 56.922  3.4000  1768.91    208.664  1827.33    310.144  1720.59    282.045  57.591  5.0224  55.931  4.6993  1.659458       6.878078  
1 1 1 -9  48  21 o 28.659  6.9067  472.245    211.865  359.575    346.315  539.634    267.832  26.815  9.5121  30.565  7.9979  -3.749659      12.42765  
1 1 1 -9  48  22 o 56.385  3.6351  1741.38    220.813  1823.16    428.871  1711.88    257.578  56.823  7.1251  55.778  4.2966  1.044506       8.320309  
1 1 1 -9  48  23 o 138.094 3.3850  10403.16   506.291  10344.14   1013.04  10422.81   584.526  135.987 6.9006  138.056 3.9091  -2.069122      7.930905  
1 1 1 -9  48  24 o 82.722  3.3834  3738.30    303.144  3991.35    626.457  3660.93    346.401  84.057  6.9430  81.742  3.9126  2.315529       7.969586  
1 1 1 -9  48  25 o 74.964  2.8780  3066.21    233.676  2699.66    327.215  3447.72    333.820  69.879  4.3448  79.246  3.8892  -9.366821      5.831244  
1 1 1 -9  48  26 o 43.790  1.4782  1040.87    70.109   1092.30    72.879   402.609    256.739  44.857  1.5000  26.250  8.1636  18.60652       8.300259  
1 1 1 -9  48  27 o 36.230  1.9727  716.486    77.118   715.311    80.789   728.542    258.769  36.186  2.0699  35.038  7.0627  1.148251       7.359757  
1 1 1 -9  48  28 o 44.065  1.5861  1056.16    75.701   1092.95    110.071  1023.13    104.278  44.665  2.2829  43.221  2.2352  1.443481       3.194966  
1 1 1 -9  48  29 o 18.322  8.2759  -64.6153   349.715  -78.9077   495.691  -50.4512   493.460  21.199  9.6836  21.427  9.7388  -0.2280331     13.73373  
1 1 1 -9  48  30 o 21.657  9.1306  182.385    366.062  112.551    523.594  249.157    511.983  23.110  10.306  24.445  10.563  -1.334896      14.75802  
1 1 1 -9  48  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  48  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  49  1  o 120.738 2.8448  7898.37    372.024  7747.12    527.375  8048.19    524.877  119.545 4.0730  121.849 3.9771  -2.303658      5.692698  
1 1 1 -9  49  2  o 368.846 6.8230  73884.88   2725.79  74738.26   4207.91  73267.89   3577.96  370.258 10.493  366.919 9.0031  3.338684       13.82590  
1 1 1 -9  49  3  o 258.409 4.7396  36211.96   1326.54  35033.93   1875.28  37391.82   1876.74  253.985 6.8169  262.415 6.6031  -8.430801      9.490565  
1 1 1 -9  49  4  f 395.501 6.7656  84951.48   2898.17  80896.12   4097.82  89010.07   4099.45  385.340 9.8183  404.313 9.3613  -18.97296      13.56592  
1 1 1 -9  49  5  o 171.474 3.4417  15935.43   639.213  15646.36   902.631  16226.24   905.343  169.846 4.9067  172.968 4.8325  -3.122742      6.886858  
1 1 1 -9  49  6  o 204.724 3.9314  22720.30   871.731  23094.18   1232.16  22345.63   1233.47  206.301 5.5144  202.923 5.6121  3.378143       7.867929  
1 1 1 -9  49  7  o 200.319 3.8970  21753.60   845.521  21328.74   1194.32  22180.51   1197.18  198.248 5.5621  202.175 5.4672  -3.926941      7.799166  
1 1 1 -9  49  8  o 233.612 5.0201  29607.29   1270.21  27061.14   2198.69  30882.78   1556.18  222.892 9.1075  238.499 6.0243  -15.60712      10.91963  
1 1 1 -9  49  9  o 127.757 3.6462  8847.69    504.532  8676.95    604.282  9240.62    916.734  126.489 4.4108  130.425 6.4895  -3.935654      7.846579  
1 1 1 -9  49  10 o 206.881 4.0054  23207.46   897.504  22649.09   1267.19  23769.49   1271.34  204.243 5.7283  209.245 5.6097  -5.001785      8.017597  
1 1 1 -9  49  11 o 305.079 5.4122  50529.95   1788.36  50708.04   2527.22  50351.32   2531.05  305.238 7.6442  304.155 7.6831  1.083191       10.83807  
1 1 1 -9  49  12 o 262.122 4.7557  37286.79   1350.16  37693.41   1907.77  36878.75   1911.07  263.279 6.6902  260.404 6.7758  2.874451       9.522087  
1 1 1 -9  49  13 o 219.444 4.1770  26125.88   992.786  26386.64   1402.59  25864.06   1405.43  220.342 5.8771  218.140 5.9485  2.202286       8.362105  
1 1 1 -9  49  14 o 167.661 3.5144  15245.46   638.194  15441.63   905.006  15051.41   900.099  168.614 4.9555  166.466 4.9922  2.147690       7.034154  
1 1 1 -9  49  15 o 111.465 3.0538  6737.34    368.683  6145.80    519.038  7339.75    523.787  106.377 4.5049  116.276 4.1591  -9.899246      6.131213  
1 1 1 -9  49  16 o 67.317  3.2288  2458.58    235.419  2267.10    331.256  2653.99    334.637  64.397  4.7834  69.744  4.4532  -5.346397      6.535455  
1 1 1 -9  49  17 o 153.954 3.3839  12868.07   564.263  13271.25   800.582  12470.07   795.421  156.161 4.7333  151.355 4.8521  4.805878       6.778424  
1 1 1 -9  49  18 o 71.219  3.1104  2754.19    239.924  2444.27    346.537  3039.52    332.505  66.796  4.8223  74.628  4.1297  -7.831741      6.348956  
1 1 1 -9  49  19 o 32.988  4.9649  607.224    171.893  710.512    259.217  526.157    229.648  35.326  7.0221  30.313  7.1164  5.013340       9.997675  
1 1 1 -9  49  20 o 19.681  6.6729  198.908    169.547  81.620     289.424  260.187    209.200  20.132  8.2715  22.237  7.4125  -2.104429      11.10688  
1 1 1 -9  49  21 o 70.183  3.7889  2693.47    286.949  2557.68    480.755  2768.62    357.642  67.707  6.6412  70.980  4.6782  -3.272827      8.123478  
1 1 1 -9  49  22 o 26.154  6.5006  393.986    183.345  793.974    348.231  240.583    215.656  36.776  8.8497  21.706  7.5206  15.06936       11.61363  
1 1 1 -9  49  23 o 24.309  7.3335  335.219    209.187  1186.26    446.676  96.125     236.755  44.739  9.5110  18.719  7.5589  26.01924       12.14891  
1 1 1 -9  49  24 o 84.386  3.3921  3891.71    310.035  3909.05    640.793  3886.41    354.260  82.994  7.1999  84.210  3.8841  -1.216599      8.180761  
1 1 1 -9  49  25 o 57.274  4.1170  1813.58    253.692  2044.85    531.825  1745.45    288.650  58.960  8.5796  55.975  4.8078  2.985348       9.834888  
1 1 1 -9  49  26 o 26.913  1.8898  395.673    54.738   754.722    477.828  390.898    55.100   34.860  11.176  26.746  1.9148  8.114260       11.33884  
1 1 1 -9  49  27 o 48.558  4.9529  1331.07    256.843  1518.60    531.141  1273.84    293.432  48.892  10.352  47.108  5.8789  1.784027       11.90514  
1 1 1 -9  49  28 o 71.455  5.7040  2947.00    437.772  2926.33    618.293  2967.77    619.917  68.750  8.4832  69.286  8.4348  -0.5359421     11.96286  
1 1 1 -9  49  29 o 71.101  5.8987  2974.03    450.156  2849.97    637.465  3097.43    635.771  66.139  9.1433  69.604  8.6175  -3.464600      12.56429  
1 1 1 -9  49  30 o 32.478  7.4138  674.746    255.054  573.468    541.479  703.623    289.138  28.718  11.489  32.654  8.1897  -3.936041      14.10944  
1 1 1 -9  49  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  49  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  50  1  o 284.246 5.1406  43826.87   1582.62  45995.40   2240.22  41666.27   2236.12  290.975 7.1083  276.900 7.4559  14.07523       10.30139  
1 1 1 -9  50  2  o 401.224 7.3437  87472.87   3191.33  86725.99   4933.89  88010.10   4184.55  398.558 11.430  401.974 9.6113  -3.415985      14.93353  
1 1 1 -9  50  3  o 210.128 4.3135  23939.49   981.708  23552.22   1309.10  24437.12   1483.97  208.323 5.8019  212.146 6.4583  -3.823853      8.681677  
1 1 1 -9  50  4  o 92.312  2.6927  4616.95    269.228  4744.00    384.696  4494.99    376.915  93.552  3.7966  91.063  3.8215  2.488846       5.386819  
1 1 1 -9  50  5  o 158.137 3.2981  13552.33   564.893  13495.82   798.677  13608.88   799.081  157.750 4.6744  158.411 4.6573  -0.6602020     6.598572  
1 1 1 -9  50  6  o 116.583 2.9312  7364.81    370.122  6864.10    523.479  7865.33    523.384  112.513 4.2956  120.449 4.0119  -7.936111      5.877698  
1 1 1 -9  50  7  o 203.575 3.8394  22466.23   846.556  22865.34   1197.86  22067.98   1196.57  205.274 5.3877  201.656 5.4784  3.617783       7.683760  
1 1 1 -9  50  8  o 187.479 4.3177  19060.15   876.749  19718.60   1514.67  18728.37   1075.18  190.450 7.3429  185.774 5.3435  4.675247       9.081376  
1 1 1 -9  50  9  o 145.193 3.7894  11429.01   595.915  11938.26   727.404  10389.71   1039.16  148.358 4.5268  138.081 6.9708  10.27748       8.311714  
1 1 1 -9  50  10 o 383.683 6.5764  80005.66   2732.96  81477.61   3864.52  78533.00   3865.46  386.535 9.2307  379.436 9.4057  7.099304       13.17854  
1 1 1 -9  50  11 o 137.660 3.1804  10271.77   474.198  10420.06   666.448  10119.71   674.866  138.591 4.4398  136.572 4.5623  2.018723       6.366034  
1 1 1 -9  50  12 o 131.873 3.1489  9426.83    449.767  9258.21    632.290  9599.53    639.913  130.625 4.4691  133.013 4.4418  -2.387650      6.300959  
1 1 1 -9  50  13 o 252.490 4.6573  34607.04   1273.66  34042.14   1801.33  35171.80   1801.11  250.112 6.6495  254.248 6.5405  -4.136017      9.327075  
1 1 1 -9  50  14 f 40.760  4.4357  912.554    192.659  1217.66    279.379  635.896    266.034  46.996  5.5988  33.493  7.5179  13.50297       9.373704  
1 1 1 -9  50  15 o 132.958 3.2341  9588.68    465.733  9751.41    641.630  9407.47    677.091  133.988 4.4213  131.574 4.7513  2.414444       6.490156  
1 1 1 -9  50  16 o 84.322  3.0320  3857.32    276.917  3651.92    391.086  4063.84    392.155  81.847  4.4281  86.482  4.1866  -4.634514      6.093911  
1 1 1 -9  50  17 o 108.473 3.0043  6385.73    352.972  5985.29    502.482  6775.80    495.937  104.887 4.4231  111.634 4.1016  -6.747719      6.032204  
1 1 1 -9  50  18 o 155.115 3.4193  13075.19   574.464  12874.92   819.463  13268.72   805.545  153.638 4.9245  156.005 4.7674  -2.366898      6.854095  
1 1 1 -9  50  19 o 123.437 3.1274  8280.65    418.122  7901.83    595.692  8648.53    587.030  120.340 4.5703  125.951 4.3032  -5.611160      6.277306  
1 1 1 -9  50  20 o 117.583 3.0566  7517.04    389.273  7405.47    566.482  7616.86    535.827  116.442 4.4917  118.158 4.1869  -1.715828      6.140453  
1 1 1 -9  50  21 o 37.013  2.1266  746.042    84.895   1186.76    368.776  721.379    87.238   45.554  7.7518  36.385  2.2244  9.169617       8.064660  
1 1 1 -9  50  22 o 55.604  3.8308  1696.57    229.304  2245.48    499.096  1549.70    258.164  62.978  7.4619  52.987  4.5423  9.991127       8.735726  
1 1 1 -9  50  23 o 123.448 3.2509  8313.32    434.665  9426.13    878.461  7952.54    500.187  130.195 6.2296  120.570 3.8302  9.624428       7.312886  
1 1 1 -9  50  24 o 77.527  3.4699  3287.41    291.365  3565.20    600.048  3201.71    333.294  79.241  7.0655  76.271  4.0491  2.970131       8.143530  
1 1 1 -9  50  25 o 48.060  4.6721  1288.65    240.129  1678.62    506.711  1175.70    272.694  52.966  9.1644  45.578  5.6447  7.388443       10.76329  
1 1 1 -9  50  26 o 14.977  6.6521  -58.7687   215.856  40.676     462.168  -86.5134   244.117  23.163  10.023  15.580  6.9861  7.583390       12.21713  
1 1 1 -9  50  27 o 66.846  5.9936  2559.99    429.335  2029.68    592.955  3144.39    622.463  56.808  10.002  72.616  8.0497  -15.80778      12.83916  
1 1 1 -9  50  28 o 39.866  9.0320  1027.94    380.964  778.245    530.080  1294.70    547.890  33.341  11.774  42.706  11.562  -9.364815      16.50179  
1 1 1 -9  50  29 o 27.709  7.7756  491.555    242.873  858.614    525.561  391.882    273.870  33.888  11.740  24.948  8.4808  8.939331       14.48319  
1 1 1 -9  50  30 o 26.890  8.9315  486.243    303.824  320.528    532.728  566.127    369.874  25.340  10.860  28.463  9.8499  -3.122704      14.66170  
1 1 1 -9  50  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  50  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  51  1  o 239.639 4.4680  31139.06   1159.69  31183.13   1640.52  31095.05   1639.59  239.656 6.3201  239.317 6.3255  0.3392181      8.941767  
1 1 1 -9  51  2  o 268.721 4.9010  39166.17   1426.45  37873.08   2017.13  40459.71   2017.47  264.031 7.0536  272.926 6.8248  -8.895020      9.814840  
1 1 1 -9  51  3  o 334.088 5.8723  60579.76   2124.89  55919.50   3004.13  65245.71   3005.96  320.564 8.6523  346.384 8.0123  -25.82010      11.79234  
1 1 1 -9  51  4  o 112.476 2.9502  6854.96    359.401  6687.99    507.907  7022.41    508.634  111.064 4.2222  113.810 4.1262  -2.745926      5.903641  
1 1 1 -9  51  5  o 127.602 3.0116  8822.99    416.220  8909.32    588.831  8736.77    588.418  128.186 4.2411  126.937 4.2798  1.248741       6.025278  
1 1 1 -9  51  6  o 338.499 5.8622  62198.27   2149.25  61797.13   3039.22  62599.56   3039.79  337.002 8.3264  339.193 8.2742  -2.190979      11.73847  
1 1 1 -9  51  7  o 201.984 3.8427  22117.07   840.660  21977.33   1188.30  22257.08   1189.45  201.239 5.4519  202.518 5.4227  -1.279007      7.689464  
1 1 1 -9  51  8  f 285.789 6.3541  44364.74   1966.85  46341.22   3099.32  43032.05   2544.98  291.480 9.8172  281.157 8.3573  10.32367       12.89269  
1 1 1 -9  51  9  o 103.612 2.8636  5817.63    321.366  5990.90    451.160  5639.17    457.874  105.113 3.9628  101.975 4.1456  3.138245       5.734962  
1 1 1 -9  51  10 o 76.264  2.5995  3151.63    214.725  3418.30    349.558  2990.03    272.118  79.287  4.0844  74.268  3.3828  5.018242       5.303378  
1 1 1 -9  51  11 o 152.682 3.2999  12637.04   545.700  11874.22   768.766  13411.76   774.742  147.919 4.7984  157.221 4.5496  -9.301971      6.612402  
1 1 1 -9  51  12 o 176.968 3.6446  16983.16   698.575  17097.28   983.891  16867.14   992.027  177.444 5.1194  176.239 5.1970  1.205536       7.294963  
1 1 1 -9  51  13 o 193.624 3.8249  20337.36   802.131  19837.43   1132.22  20841.12   1136.56  191.060 5.4713  195.848 5.3580  -4.787659      7.657911  
1 1 1 -9  51  14 o 174.645 3.6035  16547.13   681.636  16406.63   962.855  16688.29   965.106  173.746 5.1165  175.235 5.0849  -1.488937      7.213546  
1 1 1 -9  51  15 o 73.806  3.1747  2954.91    253.780  2683.46    365.761  3206.90    352.409  70.091  4.8478  76.720  4.2577  -6.629166      6.452046  
1 1 1 -9  51  16 o 116.355 3.0637  7345.93    386.107  7207.07    545.872  7484.95    546.204  115.134 4.3774  117.341 4.2977  -2.206886      6.134459  
1 1 1 -9  51  17 o 39.125  4.3934  843.412    182.959  729.504    260.549  954.216    256.975  35.888  6.9541  41.388  5.8995  -5.499390      9.119395  
1 1 1 -9  51  18 o 10.985  5.1011  -128.5214  145.765  -75.4185   220.753  -169.5737  194.096  15.177  6.7347  12.678  5.8871  2.498316       8.945052  
1 1 1 -9  51  19 o 53.311  3.5165  1552.99    201.909  1385.32    295.785  1699.28    276.295  49.988  5.5572  55.602  4.6300  -5.614655      7.233214  
1 1 1 -9  51  20 o 77.886  3.1688  3299.64    267.315  3204.61    406.402  3372.10    354.893  76.363  4.9401  78.499  4.1893  -2.135880      6.477253  
1 1 1 -9  51  21 o 127.325 3.2723  8828.92    451.271  8869.29    651.526  8791.70    625.646  127.228 4.7280  126.722 4.5583  0.5057831      6.567530  
1 1 1 -9  51  22 o 50.496  4.1006  1403.84    222.334  967.408    487.069  1518.71    249.887  40.146  10.915  52.463  4.4393  -12.31742      11.78282  
1 1 1 -9  51  23 o 144.297 3.4130  11370.28   533.404  11976.94   1072.59  11170.94   614.821  146.327 6.7677  142.816 3.9747  3.512009       7.848534  
1 1 1 -9  51  24 o 23.006  7.4477  294.530    211.807  180.485    451.116  326.781    239.893  25.106  10.322  24.227  7.9311  0.8796082      13.01730  
1 1 1 -9  51  25 o 113.501 3.0424  7041.46    374.016  6304.42    717.596  7316.36    438.251  105.642 6.3002  115.522 3.5026  -9.879990      7.208339  
1 1 1 -9  51  26 o 60.754  4.0817  2046.08    267.027  2378.65    552.950  1944.94    304.940  63.423  8.2445  58.961  4.8172  4.462440       9.548634  
1 1 1 -9  51  27 o 44.872  8.2805  1230.41    387.615  1050.15    526.286  1444.12    573.035  39.450  11.567  46.436  11.463  -6.986530      16.28464  
1 1 1 -9  51  28 o 23.767  9.4173  285.789    360.453  12.300     497.494  588.009    522.974  22.347  10.0000 29.982  11.495  -7.634636      15.23624  
1 1 1 -9  51  29 o 72.676  3.8796  2971.46    304.280  2512.27    633.022  3109.44    346.997  60.991  9.9237  73.997  4.3486  -13.00567      10.83471  
1 1 1 -9  51  30 o 20.606  8.8905  124.638    361.561  0.0000     0.0000   124.638    361.561  ?       ?       20.606  8.8905  0.000000       8.890518  
1 1 1 -9  51  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  51  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  52  1  o 117.674 2.9905  7503.42    381.146  7421.89    540.463  7584.09    537.592  116.998 4.2650  118.272 4.1966  -1.273788      5.983467  
1 1 1 -9  52  2  o 222.992 4.2851  26961.42   1034.95  27684.38   1378.66  26027.97   1566.56  225.863 5.6356  218.916 6.6069  6.946533       8.684009  
1 1 1 -9  52  3  o 193.187 3.7891  20230.58   792.828  18975.16   1120.84  21487.72   1121.61  186.996 5.5340  199.015 5.2034  -12.01895      7.596126  
1 1 1 -9  52  4  o 169.949 3.4163  15653.69   628.847  16078.34   889.764  15229.89   888.884  172.174 4.7713  167.563 4.8977  4.611252       6.837634  
1 1 1 -9  52  5  o 403.433 7.3020  88464.57   3190.68  87308.36   4932.94  89296.21   4183.66  399.745 11.393  404.803 9.5421  -5.058960      14.86138  
1 1 1 -9  52  6  o 279.378 5.0227  42344.18   1519.84  42991.13   2148.93  41696.68   2149.84  281.261 7.0541  276.979 7.1662  4.282196       10.05559  
1 1 1 -9  52  7  o 188.891 3.7207  19342.07   761.204  18589.29   1075.94  20096.41   1077.07  185.077 5.3675  192.448 5.1673  -7.371201      7.450508  
1 1 1 -9  52  8  o 266.048 7.6225  38504.74   2196.47  40633.56   2686.08  34208.46   3815.89  273.046 9.0827  249.002 14.208  24.04485       16.86288  
1 1 1 -9  52  9  o 198.055 3.8554  21268.95   827.031  21325.74   1169.45  21212.14   1169.74  198.197 5.4477  197.667 5.4637  0.5300293      7.715539  
1 1 1 -9  52  10 o 173.073 3.5639  16239.99   668.076  16410.44   942.523  16067.88   947.098  173.883 5.0045  172.053 5.0823  1.830383       7.132695  
1 1 1 -9  52  11 o 168.655 3.6023  15423.41   658.030  15471.10   888.696  15365.52   979.040  168.830 4.8600  168.211 5.3737  0.6193237      7.245437  
1 1 1 -9  52  12 o 114.629 3.0362  7122.98    376.955  6921.36    531.026  7327.77    535.187  112.936 4.3412  116.209 4.2520  -3.273232      6.076685  
1 1 1 -9  52  13 o 225.946 4.2323  27708.64   1035.75  27923.17   1464.69  27494.06   1464.84  226.570 5.9686  224.815 6.0158  1.755554       8.474343  
1 1 1 -9  52  14 o 131.662 3.2053  9401.97    457.090  9462.48    654.238  9344.28    638.880  131.981 4.5767  131.161 4.4972  0.8199768      6.416472  
1 1 1 -9  52  15 o 29.196  5.5731  479.542    169.802  659.605    240.258  299.844    240.014  34.177  6.7300  23.981  7.9370  10.19545       10.40621  
1 1 1 -9  52  16 o 69.370  3.1552  2611.79    237.064  2540.50    335.536  2682.85    334.984  68.184  4.5699  70.094  4.4352  -1.910378      6.368325  
1 1 1 -9  52  17 f 98.621  3.0048  5280.36    320.969  5013.99    455.086  5544.00    452.760  95.968  4.3782  100.940 4.1413  -4.972801      6.026527  
1 1 1 -9  52  18 o 56.626  3.4702  1750.01    211.808  1393.09    320.687  2026.19    282.093  50.064  6.0358  60.827  4.3097  -10.76329      7.416463  
1 1 1 -9  52  19 o 97.660  2.8829  5182.11    304.939  4907.24    421.862  5482.89    441.292  94.874  4.1054  100.292 4.0625  -5.417397      5.775616  
1 1 1 -9  52  20 o 104.105 2.9935  5893.52    337.533  5948.16    477.345  5838.88    477.342  104.375 4.2225  103.404 4.2621  0.9711533      5.999556  
1 1 1 -9  52  21 o 76.503  3.2703  3188.06    270.982  3067.50    408.765  3282.58    361.945  74.569  5.0916  77.340  4.3383  -2.771622      6.689178  
1 1 1 -9  52  22 o 56.944  3.7438  1778.89    229.615  1554.59    504.518  1837.49    257.870  51.490  9.3926  57.795  4.1470  -6.304760      10.26741  
1 1 1 -9  52  23 o 55.307  2.5275  1664.37    151.403  1610.22    179.284  1799.00    282.691  54.255  3.0635  57.008  4.6180  -2.753319      5.541727  
1 1 1 -9  52  24 o 38.107  5.6379  824.117    225.674  1347.39    477.043  673.250    256.149  47.287  9.6412  33.914  7.1961  13.37249       12.03066  
1 1 1 -9  52  25 o 83.917  3.4566  3860.27    314.175  4254.06    641.960  3736.25    360.268  86.300  6.9263  82.377  4.0379  3.923302       8.017361  
1 1 1 -9  52  26 f 44.391  2.5053  1078.68    119.963  1064.07    122.803  1383.50    560.967  44.074  2.5838  46.281  11.291  -2.206982      11.58298  
1 1 1 -9  52  27 o 78.795  3.6761  3436.56    313.728  3442.43    354.522  3415.37    673.641  78.511  4.1842  74.851  8.4576  3.660057       9.436062  
1 1 1 -9  52  28 o 68.124  2.8781  2558.52    212.363  2338.81    277.763  2867.63    329.465  64.497  3.9959  71.244  4.2896  -6.747345      5.862430  
1 1 1 -9  52  29 o 53.480  2.5105  1572.90    145.417  1580.78    163.946  1543.86    314.886  53.427  2.8434  51.079  5.7942  2.347988       6.454238  
1 1 1 -9  52  30 o 64.291  6.8009  2552.40    466.381  0.0000     0.0000   2552.40    466.381  ?       ?       64.291  6.8009  0.000000       6.800888  
1 1 1 -9  52  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  53  1  o 94.859  2.8627  4875.72    294.126  4965.61    417.363  4787.04    414.565  95.704  4.0264  93.966  4.0733  1.737755       5.727461  
1 1 1 -9  53  2  o 278.598 5.0503  42105.97   1523.94  42595.71   2155.49  41616.51   2154.88  279.978 7.1081  276.730 7.1894  3.247620       10.11003  
1 1 1 -9  53  3  o 221.896 4.0925  26695.13   983.575  26993.70   1390.87  26396.46   1391.10  223.009 5.7583  220.522 5.8242  2.486542       8.190187  
1 1 1 -9  53  4  o 116.908 2.9116  7406.00    368.678  7159.92    519.595  7655.52    523.202  114.914 4.1747  118.828 4.0652  -3.914276      5.826955  
1 1 1 -9  53  5  o 98.796  2.8524  5288.98    305.228  4958.69    430.691  5622.25    432.630  95.631  4.1581  101.836 3.9224  -6.204605      5.716193  
1 1 1 -9  53  6  o 232.881 4.2769  29409.75   1078.78  28342.52   1524.50  30480.13   1526.76  228.453 6.1611  236.933 5.9494  -8.480652      8.564759  
1 1 1 -9  53  7  o 140.551 3.1691  10706.33   482.434  10452.78   682.205  10959.96   682.323  138.820 4.5372  142.154 4.4316  -3.333145      6.342378  
1 1 1 -9  53  8  o 230.331 5.3066  28796.39   1323.85  29572.71   1488.11  25850.81   2898.68  233.354 5.8878  216.794 12.396  16.56010       13.72341  
1 1 1 -9  53  9  o 183.627 3.6794  18282.01   731.796  18576.20   1032.71  17985.29   1037.14  184.995 5.1540  182.020 5.2607  2.974884       7.364751  
1 1 1 -9  53  10 o 225.650 4.2397  27620.38   1036.19  27557.27   1463.50  27683.83   1467.29  225.206 5.9999  225.723 6.0016  -0.5163422     8.486360  
1 1 1 -9  53  11 o 165.807 3.4669  14906.77   622.610  15768.00   878.946  14039.42   882.070  170.437 4.7613  160.799 5.0647  9.637802       6.951338  
1 1 1 -9  53  12 o 269.762 4.8395  39516.05   1414.00  38322.04   1997.56  40715.20   2001.85  265.276 6.9524  273.475 6.7584  -8.199341      9.695930  
1 1 1 -9  53  13 o 124.679 3.1063  8429.22    419.477  8364.98    588.039  8495.78    598.562  124.124 4.3740  125.088 4.4180  -0.9634705     6.216951  
1 1 1 -9  53  14 o 138.975 3.2319  10477.12   486.476  10955.13   687.103  9996.66    688.863  142.003 4.4674  135.626 4.6894  6.376099       6.476755  
1 1 1 -9  53  15 o 22.126  6.5715  270.864    168.948  318.659    250.426  230.938    228.881  24.632  8.1052  21.937  7.7381  2.695732       11.20595  
1 1 1 -9  53  16 o 172.517 3.5852  16167.65   669.902  15784.22   947.605  16550.72   947.164  170.182 5.1410  174.291 5.0174  -4.109329      7.183575  
1 1 1 -9  53  17 o 72.196  3.1928  2831.22    249.663  2582.58    363.691  3052.82    343.340  68.637  4.9249  74.761  4.2578  -6.123405      6.510252  
1 1 1 -9  53  18 o 69.746  2.5924  2640.64    195.834  2724.68    342.784  2599.93    238.607  70.536  4.5104  69.164  3.1852  1.372154       5.521712  
1 1 1 -9  53  19 o 82.638  3.1399  3713.22    281.034  3558.55    422.160  3836.32    376.612  80.529  4.8629  83.871  4.1459  -3.341614      6.390306  
1 1 1 -9  53  20 o 113.203 3.0688  6971.40    376.266  7622.79    558.330  6429.42    509.287  118.101 4.3648  108.470 4.3349  9.631012       6.151707  
1 1 1 -9  53  21 o 162.300 3.4882  14362.52   613.180  14496.88   881.224  14236.40   853.764  162.474 5.0076  161.058 4.8942  1.416245       7.002145  
1 1 1 -9  53  22 o 139.912 3.4056  10681.62   516.088  11765.75   1098.22  10374.35   584.669  145.094 6.9883  137.716 3.9197  7.377914       8.012484  
1 1 1 -9  53  23 o 15.235  6.6172  -21.7105   202.993  281.879    426.424  -110.6641  230.824  26.298  10.298  14.871  6.7196  11.42769       12.29652  
1 1 1 -9  53  24 o 16.473  2.3474  150.627    40.699   143.480    41.451   342.134    214.573  16.050  2.4631  24.397  7.4423  -8.347170      7.839329  
1 1 1 -9  53  25 o 47.312  7.6213  1311.31    377.274  1470.78    514.071  1125.15    555.417  48.922  10.038  41.913  11.757  7.008682       15.45976  
1 1 1 -9  53  26 o 25.198  9.4709  322.521    350.741  811.916    472.911  -275.7864  522.892  35.592  11.081  21.099  9.7497  14.49299       14.75991  
1 1 1 -9  53  27 o 46.242  5.0886  1222.72    250.645  913.345    529.024  1312.27    284.616  36.285  11.773  47.654  5.6226  -11.36893      13.04652  
1 1 1 -9  53  28 f 81.370  3.5805  3687.27    315.558  3949.19    659.069  3609.37    359.435  80.089  7.6924  80.025  4.1613  0.6453705E-01  8.745799  
1 1 1 -9  53  29 o 15.241  6.7648  -25.6610   222.840  -68.2974   500.801  -15.1350   248.832  21.150  9.6884  16.196  7.1703  4.954359       12.05308  
1 1 1 -9  53  30 o 26.142  9.5947  463.963    356.013  0.0000     0.0000   463.963    356.013  ?       ?       26.142  9.5947  0.000000       9.594684  
1 1 1 -9  53  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  54  1  o 342.146 6.3695  63573.41   2360.42  64694.43   3638.36  62758.69   3101.75  344.504 9.7508  339.590 8.4330  4.914337       12.89163  
1 1 1 -9  54  2  f 163.306 3.2781  14453.37   579.826  14559.65   820.518  14347.36   819.480  163.845 4.6236  162.645 4.6519  1.200363       6.558805  
1 1 1 -9  54  3  o 216.898 4.1331  25507.61   970.965  25114.13   1373.07  25901.18   1373.23  215.085 5.8940  218.437 5.8043  -3.352280      8.272186  
1 1 1 -9  54  4  o 105.637 2.8626  6046.88    327.526  6073.59    462.960  6020.11    463.423  105.840 4.0385  105.372 4.0605  0.4676590      5.726920  
1 1 1 -9  54  5  o 90.934  2.8345  4480.76    279.178  3982.98    396.110  4972.10    393.538  85.702  4.2673  95.768  3.7940  -10.06545      5.710007  
1 1 1 -9  54  6  f 94.664  2.8083  4855.92    287.940  4881.25    405.486  4830.15    408.953  94.883  3.9456  94.383  4.0004  0.4994888      5.618873  
1 1 1 -9  54  7  o 15.112  6.0489  58.806     150.166  201.386    262.158  -10.8217   183.199  22.058  8.2081  14.880  6.3727  7.178104       10.39157  
1 1 1 -9  54  8  o 249.427 5.2548  33771.26   1419.61  33680.42   1737.19  33953.85   2462.98  248.945 6.4428  249.514 9.1137  -0.5694275     11.16107  
1 1 1 -9  54  9  o 215.827 4.0850  25263.81   954.927  25615.74   1348.75  24910.07   1352.19  217.169 5.7341  214.146 5.8299  3.022751       8.177235  
1 1 1 -9  54  10 o 280.773 5.0204  42797.74   1526.72  42356.23   2157.51  43240.56   2160.71  278.969 7.1405  281.879 7.0772  -2.909515      10.05353  
1 1 1 -9  54  11 o 244.581 4.5048  32467.17   1193.34  31989.74   1687.55  32944.70   1687.73  242.500 6.4250  246.109 6.3315  -3.608826      9.020468  
1 1 1 -9  54  12 o 230.321 4.3253  28794.62   1079.01  29056.38   1524.71  28532.02   1527.19  231.103 6.0913  228.997 6.1573  2.106171       8.661242  
1 1 1 -9  54  13 o 39.557  4.1446  858.734    174.932  838.773    235.971  883.089    260.649  38.842  5.7855  39.796  6.2533  -0.9538727     8.519155  
1 1 1 -9  54  14 o 231.659 4.3505  29159.52   1091.58  28789.65   1543.46  29529.65   1544.00  229.792 6.2014  232.746 6.1249  -2.953690      8.716144  
1 1 1 -9  54  15 o 124.871 3.1319  8461.78    423.578  8203.01    593.818  8729.84    604.382  122.815 4.4641  126.705 4.4040  -3.889565      6.270825  
1 1 1 -9  54  16 o 117.094 3.0352  7443.18    384.944  7609.27    547.409  7280.71    541.426  118.254 4.2739  115.666 4.3218  2.587402       6.078162  
1 1 1 -9  54  17 o 122.728 3.0955  8181.85    411.472  8150.63    580.043  8213.48    583.794  122.308 4.3786  122.777 4.3901  -0.4686737     6.200405  
1 1 1 -9  54  18 o 106.688 3.0874  6186.02    356.760  6026.70    513.420  6334.77    496.096  105.093 4.5105  107.792 4.2492  -2.698303      6.196836  
1 1 1 -9  54  19 o 53.155  3.7462  1546.81    214.301  1530.50    345.891  1556.97    273.013  52.381  6.2181  53.149  4.7942  -0.7675972     7.851725  
1 1 1 -9  54  20 o 61.914  3.5636  2096.18    237.963  1689.82    362.492  2403.91    315.451  55.000  6.1929  66.152  4.4282  -11.15275      7.613217  
1 1 1 -9  54  21 o 96.426  3.0181  5062.00    315.205  5240.07    512.503  4953.66    399.750  97.704  4.8430  95.226  3.8758  2.477478       6.202939  
1 1 1 -9  54  22 o 73.077  3.4088  2914.98    269.809  2675.51    562.365  2986.58    307.513  68.534  7.7099  73.790  3.8611  -5.255615      8.622670  
1 1 1 -9  54  23 o 27.938  2.2081  426.988    66.273   877.186    454.233  417.196    66.990   37.929  10.630  27.607  2.2602  10.32120       10.86784  
1 1 1 -9  54  24 o 42.663  5.2219  1024.84    236.262  1429.46    483.351  897.821    270.820  48.672  9.5098  39.457  6.5680  9.215458       11.55741  
1 1 1 -9  54  25 o 23.585  9.2180  233.981    341.164  -95.6409   460.144  636.391    508.418  21.608  9.6474  32.807  11.537  -11.19859      15.03916  
1 1 1 -9  54  26 o 20.811  7.5862  219.651    222.023  339.139    472.153  185.728    251.573  27.055  10.760  20.596  7.9529  6.458530       13.37990  
1 1 1 -9  54  27 o 62.900  4.0764  2217.66    276.216  2434.94    579.142  2153.69    314.262  62.307  8.8288  61.614  4.7456  0.6928024      10.02340  
1 1 1 -9  54  28 o 18.761  7.4349  151.578    224.699  -7.1838    495.807  192.615    252.072  21.961  9.8928  20.193  7.9149  1.767902       12.66936  
1 1 1 -9  54  29 o 33.924  6.7699  713.918    240.033  748.112    532.489  705.198    268.903  31.557  11.707  33.156  7.6444  -1.598499      13.98183  
1 1 1 -9  54  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  54  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  55  1  o 65.759  2.8352  2343.16    201.934  2410.44    289.310  2279.23    281.987  66.555  4.0324  64.711  4.0436  1.844498       5.710609  
1 1 1 -9  55  2  o 203.631 3.8191  22479.45   842.312  24034.25   1191.77  20927.54   1190.66  210.459 5.2282  196.358 5.5984  14.10100       7.660073  
1 1 1 -9  55  3  o 137.802 3.2526  10291.63   485.462  10404.37   687.869  10179.76   685.231  138.502 4.5854  136.997 4.6180  1.504684       6.507871  
1 1 1 -9  55  4  o 151.574 3.3074  12452.23   542.987  12117.50   766.625  12789.20   769.180  149.459 4.7358  153.552 4.6249  -4.092468      6.619452  
1 1 1 -9  55  5  o 245.038 4.4919  32567.17   1192.15  32131.43   1685.99  33002.87   1685.92  243.198 6.4007  246.484 6.3150  -3.286163      8.991557  
1 1 1 -9  55  6  o 149.693 3.2113  12145.09   520.665  12110.34   736.805  12179.74   735.859  149.416 4.5529  149.845 4.5340  -0.4285278     6.425413  
1 1 1 -9  55  7  o 121.824 3.4988  8045.47    461.654  7816.83    800.964  8159.21    564.930  119.790 6.1946  122.652 4.2526  -2.861710      7.513776  
1 1 1 -9  55  8  o 197.243 4.4623  21105.85   953.299  20857.02   1165.02  21610.05   1658.40  195.990 5.4882  199.245 7.6848  -3.254822      9.443303  
1 1 1 -9  55  9  o 33.121  4.5445  606.338    158.729  560.319    227.152  650.251    221.894  31.491  6.8543  34.059  6.2453  -2.567469      9.272865  
1 1 1 -9  55  10 o 77.733  2.8714  3275.09    241.749  3195.35    336.567  3360.08    347.463  76.640  4.0692  78.594  4.0960  -1.953712      5.773659  
1 1 1 -9  55  11 o 131.351 3.1369  9354.18    446.279  9746.55    628.209  8954.42    634.099  134.008 4.3281  128.432 4.5584  5.576279       6.285851  
1 1 1 -9  55  12 o 61.012  3.2356  2024.37    213.049  2359.17    290.543  1634.98    313.341  65.802  4.0970  54.580  5.3700  11.22166       6.754378  
1 1 1 -9  55  13 o 55.627  2.2258  1677.08    134.103  1452.03    270.412  1750.48    154.431  51.451  4.9122  56.825  2.5091  -5.374596      5.515885  
1 1 1 -9  55  14 o 151.290 3.3359  12421.86   546.638  12006.53   769.212  12845.61   776.974  148.574 4.7801  153.693 4.6675  -5.119476      6.680901  
1 1 1 -9  55  15 o 189.457 3.7925  19503.15   778.233  19112.83   1095.84  19900.30   1105.40  187.233 5.4038  191.066 5.3415  -3.832840      7.598189  
1 1 1 -9  55  16 o 144.423 3.2817  11329.88   513.347  11204.69   726.859  11454.47   725.109  143.399 4.6799  145.001 4.6170  -1.601425      6.574046  
1 1 1 -9  55  17 o 102.470 3.0325  5703.89    336.562  6038.51    484.928  5392.91    467.491  105.276 4.2528  99.477  4.3389  5.799065       6.075593  
1 1 1 -9  55  18 f 82.264  3.1057  3678.64    276.722  3363.24    402.673  3960.88    380.919  78.318  4.7698  85.239  4.1260  -6.921295      6.306677  
1 1 1 -9  55  19 o 45.041  4.2925  1117.53    206.872  931.695    310.062  1266.61    277.725  40.403  7.3564  47.743  5.4694  -7.340073      9.166849  
1 1 1 -9  55  20 o 92.836  3.1316  4691.56    314.889  5250.08    468.088  4229.87    425.582  97.958  4.4118  87.800  4.4903  10.15816       6.294979  
1 1 1 -9  55  21 o 74.860  3.3136  3054.95    268.673  3250.84    408.561  2905.69    356.634  76.764  4.9402  72.660  4.5547  4.104263       6.719431  
1 1 1 -9  55  22 o 121.456 3.7010  8066.36    486.868  8764.58    848.122  7723.18    594.599  125.495 6.2396  118.521 4.6319  6.973938       7.770935  
1 1 1 -9  55  23 o 66.079  3.8096  2400.83    271.501  2346.14    539.853  2419.34    314.116  63.731  7.9969  66.167  4.4083  -2.435394      9.131480  
1 1 1 -9  55  24 o 92.847  4.9514  4792.08    496.132  4493.33    680.195  5131.72    725.243  88.675  7.1426  94.816  7.1139  -6.140663      10.08093  
1 1 1 -9  55  25 o 26.868  9.4761  400.513    343.228  403.253    460.423  397.086    514.932  28.290  10.800  28.870  11.313  -0.5801678     15.64083  
1 1 1 -9  55  26 o 19.674  7.4910  176.761    221.130  177.584    462.838  176.518    251.717  24.469  10.289  20.333  7.9260  4.135815       12.98767  
1 1 1 -9  55  27 o 46.783  5.0725  1258.33    252.907  835.897    530.658  1382.49    287.681  34.290  11.802  48.793  5.5418  -14.50357      13.03831  
1 1 1 -9  55  28 o 41.111  5.6435  995.467    244.660  626.953    527.744  1096.35    276.125  30.250  11.559  42.883  6.1184  -12.63340      13.07881  
1 1 1 -9  55  29 o 23.494  7.8115  347.689    232.381  2.7161     514.878  435.936    260.413  21.919  9.9570  25.850  8.2466  -3.930828      12.92858  
1 1 1 -9  55  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  55  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  56  1  o 106.430 2.9083  6138.29    335.254  6099.53    476.805  6176.19    471.481  106.059 4.1507  106.726 4.0787  -0.6667709     5.819327  
1 1 1 -9  56  2  f 178.350 3.6240  17243.14   700.054  16725.76   989.560  17761.50   990.491  175.561 5.2041  180.926 5.0545  -5.364639      7.254688  
1 1 1 -9  56  3  o 335.066 6.3256  60985.87   2295.62  64740.98   3537.24  58253.41   3017.38  344.572 9.4779  327.067 8.5177  17.50504       12.74294  
1 1 1 -9  56  4  o 247.399 4.7871  33205.84   1282.75  33866.29   1700.73  32334.38   1953.62  249.685 6.2889  243.829 7.3975  5.856674       9.709427  
1 1 1 -9  56  5  o 146.562 3.2208  11642.61   511.272  11137.60   723.180  12147.26   722.915  143.283 4.6600  149.647 4.4601  -6.364731      6.450437  
1 1 1 -9  56  6  o 342.529 5.9710  63728.19   2215.20  64194.08   3133.01  63262.45   3132.51  343.273 8.4266  340.758 8.4874  2.514587       11.96011  
1 1 1 -9  56  7  o 80.100  3.2753  3477.83    284.155  3803.99    494.091  3316.65    347.344  83.522  5.4924  78.092  4.1212  5.430115       6.866646  
1 1 1 -9  56  8  o 39.329  3.8250  846.689    160.874  900.251    226.784  792.437    228.243  40.374  5.3153  37.766  5.7623  2.607224       7.839470  
1 1 1 -9  56  9  o 151.443 3.3599  12434.69   551.118  12504.60   753.895  12354.46   807.677  151.793 4.5855  150.853 4.9433  0.9400635      6.742622  
1 1 1 -9  56  10 o 135.367 3.1554  9934.53    462.639  10221.69   652.405  9644.05    656.151  137.239 4.3891  133.294 4.5449  3.944458       6.318204  
1 1 1 -9  56  11 o 162.050 3.4282  14242.27   601.709  14322.95   845.311  14159.40   856.692  162.392 4.8060  161.453 4.8990  0.9389648      6.862769  
1 1 1 -9  56  12 o 59.868  2.3295  1942.57    151.051  1981.74    278.692  1926.28    179.742  60.260  4.2982  59.607  2.7841  0.6533241      5.121076  
1 1 1 -9  56  13 o 143.648 3.2612  11195.46   507.389  11169.82   717.639  11221.08   717.474  143.350 4.6221  143.679 4.6104  -0.3298340     6.528391  
1 1 1 -9  56  14 o 73.429  3.0794  2925.67    244.909  2739.78    346.085  3112.13    346.622  70.834  4.5348  75.547  4.2534  -4.713249      6.217403  
1 1 1 -9  56  15 o 194.913 3.8502  20651.13   812.818  19499.13   1149.17  21804.42   1149.82  189.003 5.6137  199.947 5.3094  -10.94356      7.726772  
1 1 1 -9  56  16 o 53.113  3.4575  1539.66    197.812  1537.91    279.346  1541.43    280.153  52.870  4.9353  52.929  4.9441  -0.5936813E-01 6.985825  
1 1 1 -9  56  17 o 39.386  4.2839  855.349    179.801  846.076    259.311  863.935    249.526  38.756  6.4010  39.244  6.0660  -0.4887733     8.818711  
1 1 1 -9  56  18 o 123.436 3.2006  8285.51    427.908  7968.58    625.908  8563.63    586.334  120.745 4.7860  125.279 4.3211  -4.533333      6.448082  
1 1 1 -9  56  19 o 120.429 3.2285  7892.80    421.118  7881.40    614.481  7902.90    578.269  120.006 4.7275  120.244 4.4402  -0.2375793     6.485724  
1 1 1 -9  56  20 o 44.386  4.4303  1088.62    210.137  1147.33    335.587  1050.75    269.516  44.904  7.1390  43.264  5.9058  1.639248       9.265240  
1 1 1 -9  56  21 o 57.125  3.9099  1792.35    240.459  1736.88    393.860  1825.31    303.609  55.490  6.6880  57.416  4.9300  -1.925949      8.308633  
1 1 1 -9  56  22 o 75.134  4.1884  3106.18    339.486  2984.74    569.695  3173.05    422.745  72.468  7.3603  75.624  5.1926  -3.155785      9.007597  
1 1 1 -9  56  23 o 98.947  4.8428  5409.25    519.003  5758.31    714.245  5018.74    755.448  101.070 6.5601  93.764  7.5015  7.305984       9.965297  
1 1 1 -9  56  24 o 36.309  1.8746  718.324    73.469   722.489    74.199   509.673    525.122  36.413  1.8878  30.984  11.600  5.429073       11.75232  
1 1 1 -9  56  25 f 43.443  5.1905  1068.10    239.391  986.423    493.608  1093.21    273.739  39.199  11.115  43.675  5.9408  -4.476280      12.60298  
1 1 1 -9  56  26 o 44.258  5.2115  1119.32    245.029  1673.81    506.341  949.757    279.998  51.589  9.4086  40.057  6.6896  11.53179       11.54436  
1 1 1 -9  56  27 o 56.707  4.3751  1819.91    266.638  1858.23    552.354  1808.26    304.461  52.906  10.006  56.120  5.0634  -3.214500      11.21406  
1 1 1 -9  56  28 o 21.318  7.7308  257.999    230.133  115.798    491.924  297.840    260.384  23.075  10.155  22.616  8.2199  0.4591255      13.06489  
1 1 1 -9  56  29 o 18.284  7.8434  75.502     278.342  389.094    498.323  -66.6998   335.569  25.931  10.772  17.701  8.0398  8.230556       13.44179  
1 1 1 -9  56  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  56  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  57  1  o 334.118 5.7377  60613.29   2076.39  62994.93   2937.86  58236.19   2935.07  340.208 7.9729  327.040 8.2860  13.16769       11.49893  
1 1 1 -9  57  2  o 138.388 3.1827  10379.80   477.051  10105.06   673.949  10655.70   675.357  136.487 4.5590  140.162 4.4487  -3.674850      6.369864  
1 1 1 -9  57  3  o 118.842 2.9967  7654.12    385.731  7511.96    546.164  7795.59    544.850  117.689 4.2847  119.894 4.1958  -2.204842      5.996908  
1 1 1 -9  57  4  o 325.144 5.6374  57401.67   1985.30  57880.90   2807.72  56922.50   2807.55  326.078 7.9499  323.353 8.0164  2.724945       11.28998  
1 1 1 -9  57  5  o 157.828 3.5013  13503.71   598.527  13132.99   814.004  13940.04   883.102  155.574 4.8308  160.266 5.0875  -4.691772      7.015620  
1 1 1 -9  57  6  o 181.044 3.6307  17770.69   711.942  17937.06   1007.57  17604.81   1006.10  181.787 5.1173  180.092 5.1579  1.694763       7.265777  
1 1 1 -9  57  7  o 114.662 4.2218  7131.61    524.308  7387.44    739.376  6872.84    743.610  116.464 5.8805  112.294 6.1371  4.169357       8.499653  
1 1 1 -9  57  8  o 230.461 4.3202  28816.48   1078.38  29072.75   1524.82  28560.04   1525.30  231.272 6.0873  229.216 6.1439  2.056229       8.648851  
1 1 1 -9  57  9  o 128.544 3.1134  8957.73    433.463  8999.77    602.373  8912.58    624.230  128.783 4.3185  128.147 4.4974  0.6361847      6.235117  
1 1 1 -9  57  10 o 81.843  2.9185  3631.14    258.703  3417.38    368.166  3839.63    363.600  79.233  4.3063  84.122  3.9907  -4.889084      5.871057  
1 1 1 -9  57  11 o 12.572  5.4130  -13.1461   133.461  16.287     178.777  -50.1982   200.585  15.240  6.4006  14.848  6.5106  0.3923483      9.129964  
1 1 1 -9  57  12 o 125.249 3.0877  8508.54    418.874  8823.11    597.259  8204.04    587.613  127.450 4.3267  122.890 4.4147  4.560112       6.181405  
1 1 1 -9  57  13 o 93.689  2.9813  4761.60    302.528  4785.13    436.453  4739.83    419.716  93.835  4.2944  93.401  4.1489  0.4343567      5.971183  
1 1 1 -9  57  14 o 174.932 3.7550  16625.04   711.464  16109.31   958.104  17259.01   1062.27  171.957 5.1442  177.909 5.5127  -5.951797      7.540099  
1 1 1 -9  57  15 o 76.795  3.0021  3201.61    249.705  3173.58    348.670  3231.12    357.778  76.250  4.2386  76.929  4.3113  -0.6799393     6.045898  
1 1 1 -9  57  16 o 19.299  6.4227  193.707    157.083  325.220    223.991  66.435     220.350  24.371  7.6328  17.756  7.2471  6.614887       10.52518  
1 1 1 -9  57  17 o 121.904 3.1012  8076.63    409.462  7889.18    579.757  8263.19    578.379  120.253 4.4512  123.093 4.3382  -2.840118      6.215566  
1 1 1 -9  57  18 f 117.380 3.1076  7492.17    395.085  7335.06    572.920  7634.64    545.553  115.870 4.5651  118.280 4.2585  -2.409874      6.243030  
1 1 1 -9  57  19 f 64.484  3.5226  2272.46    245.098  2222.60    360.037  2315.52    334.602  63.412  5.2904  64.846  4.7981  -1.434891      7.142145  
1 1 1 -9  57  20 o 85.338  2.8699  3962.20    265.261  4548.98    441.854  3631.55    331.681  91.138  4.4762  81.566  3.7544  9.571907       5.842278  
1 1 1 -9  57  21 o 75.714  3.6288  3131.40    297.581  3637.15    467.043  2785.76    386.101  81.025  5.3521  70.956  5.0570  10.06855       7.363257  
1 1 1 -9  57  22 o 13.763  6.6544  -461.8414  302.044  -588.7356  394.661  -282.4327  469.272  15.744  7.6107  20.271  9.3197  -4.526734      12.03244  
1 1 1 -9  57  23 f 61.154  5.9564  2107.50    389.522  1825.75    525.083  2452.29    580.865  55.498  9.0471  64.791  8.4809  -9.293407      12.40059  
1 1 1 -9  57  24 o 84.657  3.4443  3927.70    315.817  3832.41    630.677  3959.58    364.859  81.748  7.1963  84.835  3.9708  -3.087471      8.219143  
1 1 1 -9  57  25 o 26.889  7.5015  432.299    226.746  128.349    459.305  530.246    260.733  24.030  10.184  29.612  7.9585  -5.582644      12.92504  
1 1 1 -9  57  26 o 82.640  3.5392  3777.30    316.783  3392.51    644.063  3900.09    363.834  74.815  8.0763  83.724  4.0122  -8.908752      9.018026  
1 1 1 -9  57  27 o 66.173  3.9761  2458.16    283.651  2759.40    581.919  2364.28    324.856  66.477  8.2600  64.454  4.6855  2.023460       9.496408  
1 1 1 -9  57  28 o 56.358  4.1206  1798.77    249.786  1550.74    438.311  1918.06    303.977  48.970  8.5763  57.686  4.9119  -8.716110      9.883357  
1 1 1 -9  57  29 o 50.043  5.9375  1503.01    315.547  1447.72    553.405  1529.64    384.106  43.389  11.566  49.199  7.4406  -5.809605      13.75228  
1 1 1 -9  57  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  58  1  o 196.054 3.7982  20840.48   806.527  21016.63   1142.26  20665.36   1138.95  196.765 5.3598  195.111 5.3896  1.653870       7.600959  
1 1 1 -9  58  2  o 189.586 3.9726  19490.37   815.747  19738.92   1224.32  19291.93   1093.94  190.639 5.9294  188.518 5.3576  2.120667       7.991374  
1 1 1 -9  58  3  o 160.569 3.3456  13975.59   581.850  13872.08   823.078  14079.00   822.644  159.897 4.7526  161.088 4.7150  -1.190491      6.694617  
1 1 1 -9  58  4  o 155.307 3.2691  13074.20   549.899  13730.99   777.294  12416.12   778.055  159.095 4.5109  151.272 4.7488  7.823166       6.549718  
1 1 1 -9  58  5  o 98.938  2.7542  5304.61    295.145  4919.29    416.734  5692.39    418.065  95.240  4.0399  102.461 3.7672  -7.220497      5.523790  
1 1 1 -9  58  6  f 75.629  2.5342  3099.42    207.586  2869.80    265.096  3463.41    333.768  72.758  3.3640  79.916  3.8560  -7.158356      5.117180  
1 1 1 -9  58  7  o 59.199  3.6011  1907.32    229.801  1718.32    279.644  2300.40    403.283  56.078  4.6459  64.810  5.8067  -8.732044      7.436555  
1 1 1 -9  58  8  o 105.767 2.9256  6063.59    335.142  6055.22    473.709  6071.97    474.216  105.646 4.1399  105.792 4.1386  -0.1461182     5.853793  
1 1 1 -9  58  9  o 42.237  3.4381  973.813    155.918  892.270    228.691  1044.64    213.133  40.167  5.3929  43.629  4.5786  -3.461819      7.074336  
1 1 1 -9  58  10 o 42.666  2.1511  988.921    99.088   1106.25    234.199  963.339    109.358  44.862  4.8995  42.092  2.4087  2.770359       5.459630  
1 1 1 -9  58  11 o 37.617  1.6853  766.644    68.666   612.545    213.982  784.334    72.500   33.005  6.2140  38.048  1.7593  -5.043297      6.458211  
1 1 1 -9  58  12 o 160.259 3.4174  13937.24   593.188  13240.38   838.593  14635.11   839.197  156.023 4.9624  164.068 4.7225  -8.045456      6.850340  
1 1 1 -9  58  13 o 218.055 4.1417  25840.57   978.159  25164.69   1381.45  26520.15   1385.21  214.785 5.9383  220.531 5.7993  -5.745453      8.300313  
1 1 1 -9  58  14 o 166.231 3.5088  15010.31   631.737  15317.07   893.092  14703.10   893.729  167.676 4.9176  164.260 5.0235  3.416199       7.029830  
1 1 1 -9  58  15 o 87.100  2.7408  4117.57    258.565  4224.89    401.280  4041.37    338.114  88.096  4.2055  86.220  3.6206  1.876694       5.549356  
1 1 1 -9  58  16 o 67.967  3.0784  2509.82    226.615  2100.67    316.299  2941.36    324.836  61.864  4.7569  73.374  4.1039  -11.50987      6.282537  
1 1 1 -9  58  17 o 47.126  2.0107  1204.61    102.634  1018.83    257.190  1239.80    111.933  42.744  5.6971  47.804  2.1618  -5.059433      6.093507  
1 1 1 -9  58  18 o 29.112  6.2271  484.108    190.409  328.721    284.525  610.142    256.246  25.190  8.6434  32.544  7.4328  -7.353844      11.39982  
1 1 1 -9  58  19 o 65.930  3.4863  2375.29    248.071  2424.10    364.678  2333.25    338.440  66.268  5.1206  65.074  4.8363  1.193527       7.043489  
1 1 1 -9  58  20 o 64.830  3.7414  2302.17    261.594  2447.11    396.137  2190.09    348.353  66.403  5.5590  62.904  5.1583  3.499310       7.583629  
1 1 1 -9  58  21 o 16.764  3.0612  157.886    53.533   131.050    54.886   682.024    242.561  15.199  3.4172  34.404  6.7505  -19.20526      7.566148  
1 1 1 -9  58  22 o 86.633  4.9558  4156.85    463.090  4192.23    630.234  4115.32    682.729  86.166  6.8085  85.005  7.4920  1.160805       10.12349  
1 1 1 -9  58  23 o 138.626 4.9063  10639.56   736.658  10503.60   1025.38  10784.58   1059.02  136.069 6.9810  137.754 7.1222  -1.684601      9.973024  
1 1 1 -9  58  24 o 47.605  4.7977  1268.80    244.001  1614.81    490.844  1155.23    281.208  51.824  9.0753  45.023  5.9094  6.801773       10.82966  
1 1 1 -9  58  25 o 47.370  4.9053  1266.39    248.028  2280.95    503.177  940.762    285.066  62.159  7.6344  39.988  6.8268  22.17072       10.24151  
1 1 1 -9  58  26 o 37.620  6.1402  835.736    241.559  597.301    494.596  910.426    276.819  30.553  11.293  38.949  6.8099  -8.396151      13.18736  
1 1 1 -9  58  27 o 51.893  4.6918  1537.68    260.857  2055.78    542.571  1381.92    297.496  56.346  9.2086  48.545  5.7712  7.801300       10.86761  
1 1 1 -9  58  28 o 17.077  7.2032  69.752     228.028  512.260    478.663  -60.1537   259.348  28.023  10.928  15.894  7.1577  12.12879       13.06348  
1 1 1 -9  58  29 o 50.127  7.3732  1587.24    388.349  0.0000     0.0000   1587.24    388.349  ?       ?       50.127  7.3732  0.000000       7.373239  
1 1 1 -9  58  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  59  1  o 143.795 3.2202  11207.68   501.529  11307.52   733.202  11119.90   687.536  144.363 4.6892  143.174 4.4336  1.188431       6.453353  
1 1 1 -9  59  2  o 264.526 5.1154  37979.87   1465.60  37559.15   1938.27  38541.55   2239.56  262.828 6.8088  266.083 7.7710  -3.254974      10.33189  
1 1 1 -9  59  3  o 143.349 3.0289  11137.29   470.278  11799.49   665.728  10477.70   664.420  147.497 4.1672  138.977 4.4140  8.519455       6.070311  
1 1 1 -9  59  4  f 268.316 4.8270  39070.03   1402.80  39320.73   1984.19  38819.49   1983.53  268.896 6.8129  267.169 6.8546  1.726196       9.664404  
1 1 1 -9  59  5  o 336.711 5.8754  61598.02   2142.72  58755.72   3029.29  64443.97   3031.25  328.263 8.5202  343.888 8.1383  -15.62543      11.78242  
1 1 1 -9  59  6  o 224.757 4.8692  27421.47   1185.33  25879.20   2049.34  28196.82   1453.05  217.787 8.6879  227.789 5.8895  -10.00204      10.49596  
1 1 1 -9  59  7  f 185.895 4.2891  18750.61   863.573  18834.95   1056.68  18580.97   1498.52  186.224 5.2389  184.686 7.4913  1.537704       9.141433  
1 1 1 -9  59  8  f 157.137 3.3725  13389.36   573.985  12938.25   808.992  13846.64   814.511  154.361 4.8388  159.699 4.7090  -5.338135      6.751903  
1 1 1 -9  59  9  o 137.098 3.1810  10191.95   472.348  10314.84   667.085  10068.38   668.920  137.836 4.4684  136.174 4.5353  1.661926       6.366749  
1 1 1 -9  59  10 o 95.382  2.7321  4932.12    282.250  4693.59    415.647  5136.23    384.494  92.983  4.1271  97.295  3.6486  -4.311447      5.508698  
1 1 1 -9  59  11 o 71.223  2.9041  2751.00    224.029  2684.63    313.482  2820.28    320.275  70.187  4.1421  71.946  4.1273  -1.759026      5.847336  
1 1 1 -9  59  12 o 133.450 3.1276  9662.62    452.062  9299.00    636.441  10032.87   642.222  130.785 4.4930  135.862 4.3643  -5.077515      6.263702  
1 1 1 -9  59  13 o 176.237 3.5926  16869.51   685.762  16472.95   967.950  17269.14   971.690  173.888 5.1394  178.061 5.0384  -4.173294      7.197116  
1 1 1 -9  59  14 o 64.358  3.1448  2249.04    219.211  2215.73    311.519  2281.70    308.524  63.628  4.5503  64.589  4.4371  -0.9611015     6.355547  
1 1 1 -9  59  15 o 59.520  3.2350  1930.49    207.769  1953.83    288.019  1905.17    300.006  59.711  4.4862  58.918  4.7413  0.7931175      6.527354  
1 1 1 -9  59  16 o 64.948  3.1165  2292.37    219.230  2554.61    335.952  2097.87    289.324  68.276  4.5693  61.881  4.3443  6.395214       6.304900  
1 1 1 -9  59  17 o 78.929  3.1821  3387.60    272.036  3704.76    411.715  3141.84    362.416  82.225  4.6420  75.740  4.4372  6.485077       6.421614  
1 1 1 -9  59  18 f 129.920 3.2030  9185.20    450.722  9081.06    643.257  9285.64    631.733  128.849 4.6093  130.329 4.4753  -1.480392      6.424459  
1 1 1 -9  59  19 o 48.241  4.3303  1282.78    223.846  1395.25    327.657  1184.34    306.531  49.892  6.1969  45.872  6.3390  4.020248       8.864759  
1 1 1 -9  59  20 o 72.148  3.5505  2840.84    277.452  3028.79    419.610  2694.84    369.837  73.976  5.2715  69.857  4.9194  4.119057       7.210331  
1 1 1 -9  59  21 o 118.450 4.5186  7709.79    579.703  8424.49    834.597  7043.54    805.810  122.838 6.2941  112.086 6.6677  10.75209       9.169187  
1 1 1 -9  59  22 f 19.387  8.3674  -1.6155    320.491  -241.8078  422.715  323.116    491.508  19.386  8.8879  27.951  11.022  -8.564468      14.15879  
1 1 1 -9  59  23 o 109.445 3.2965  6553.60    390.766  6956.87    778.697  6417.86    451.768  110.968 6.5073  108.102 3.8584  2.866341       7.565253  
1 1 1 -9  59  24 o 27.070  1.1439  397.413    33.538   404.227    33.842   23.476     250.694  27.301  1.1445  17.536  7.4810  9.764927       7.568008  
1 1 1 -9  59  25 o 40.555  5.6656  947.682    242.065  1204.80    491.668  865.417    278.106  43.000  10.620  38.149  6.9882  4.850838       12.71271  
1 1 1 -9  59  26 o 44.128  4.8851  1114.80    229.570  984.034    383.979  1187.55    286.392  38.880  9.2522  44.951  6.0347  -6.071724      11.04634  
1 1 1 -9  59  27 o 14.820  6.6812  -69.7244   226.651  259.400    470.306  -169.2868  258.671  24.698  10.378  14.596  6.7838  10.10216       12.39812  
1 1 1 -9  59  28 o 27.861  7.6554  499.301    238.133  553.451    502.257  483.598    270.465  28.617  11.185  27.171  8.3673  1.446190       13.96809  
1 1 1 -9  59  29 o 29.304  11.685  642.372    558.245  0.0000     0.0000   642.372    558.245  ?       ?       29.304  11.685  0.000000       11.68538  
1 1 1 -9  59  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  60  1  o 388.773 6.7287  82193.45   2833.32  83112.02   4008.21  81276.06   4005.64  390.141 9.4855  385.773 9.5867  4.367157       13.48626  
1 1 1 -9  60  2  o 223.282 4.2451  27044.22   1026.63  26780.74   1452.02  27307.60   1451.74  222.003 6.0387  224.183 5.9788  -2.180573      8.497782  
1 1 1 -9  60  3  o 167.435 3.5192  15199.89   638.206  14398.71   902.169  16002.46   902.952  162.857 5.1146  171.708 4.8552  -8.851166      7.052079  
1 1 1 -9  60  4  f 259.355 4.7133  36506.43   1324.02  36052.08   1872.30  36960.93   1872.59  257.451 6.7145  260.690 6.6321  -3.238800      9.437593  
1 1 1 -9  60  5  o 146.994 3.2259  11713.74   513.599  12032.56   728.542  11398.74   724.156  148.906 4.5172  144.925 4.6134  3.981262       6.456670  
1 1 1 -9  60  6  o 144.351 3.7072  11300.86   579.611  9759.31    994.117  12094.77   713.418  133.731 6.8867  149.290 4.4121  -15.55884      8.178836  
1 1 1 -9  60  7  o 145.271 3.7531  11447.02   590.517  11727.82   722.514  10882.06   1024.85  146.987 4.5383  141.393 6.6921  5.593597       8.085801  
1 1 1 -9  60  8  o 177.255 3.6023  17042.65   691.587  16585.29   975.514  17504.80   980.610  174.712 5.1551  179.503 5.0438  -4.790482      7.212137  
1 1 1 -9  60  9  o 296.324 5.2862  47736.39   1696.61  47973.83   2399.51  47499.01   2399.23  296.491 7.4721  295.009 7.5087  1.482025       10.59308  
1 1 1 -9  60  10 o 177.632 3.6018  17122.72   692.969  16632.63   978.452  17615.93   981.568  174.883 5.1656  179.997 5.0348  -5.114059      7.213408  
1 1 1 -9  60  11 o 274.332 4.9491  40937.77   1470.53  41350.92   2078.79  40523.94   2080.51  275.112 6.9764  272.320 7.0537  2.791504       9.920963  
1 1 1 -9  60  12 o 32.268  4.4704  576.917    152.042  603.414    208.504  546.828    222.186  32.735  6.1053  31.033  6.7984  1.702259       9.137438  
1 1 1 -9  60  13 o 50.794  2.2159  1398.94    121.908  1595.10    267.253  1347.41    136.990  53.934  4.6195  49.775  2.5496  4.159237       5.276391  
1 1 1 -9  60  14 o 101.567 2.9264  5600.48    321.926  5377.86    452.889  5827.84    457.694  99.396  4.2068  103.487 4.0834  -4.090111      5.862695  
1 1 1 -9  60  15 o 67.441  3.0729  2470.87    224.465  2383.07    311.690  2565.46    323.523  65.982  4.3864  68.471  4.3855  -2.488869      6.202646  
1 1 1 -9  60  16 o 60.250  3.2402  1979.24    210.667  1991.08    294.355  1966.80    301.633  60.235  4.5453  59.839  4.6916  0.3964615      6.532273  
1 1 1 -9  60  17 o 98.586  3.1295  5285.47    334.167  5361.82    497.526  5222.71    451.053  99.049  4.6376  97.826  4.2570  1.223221       6.295179  
1 1 1 -9  60  18 o 126.253 3.1919  8675.73    436.478  9112.71    629.800  8271.88    605.464  129.073 4.5050  122.963 4.5461  6.110062       6.400199  
1 1 1 -9  60  19 o 83.170  3.2382  3767.83    291.701  3828.85    421.557  3711.77    404.054  83.451  4.6829  82.194  4.5565  1.256737       6.533865  
1 1 1 -9  60  20 o 65.794  4.5358  2386.12    321.253  2002.56    434.086  2850.59    477.677  59.560  6.8540  71.411  6.2385  -11.85112      9.268044  
1 1 1 -9  60  21 o 65.658  5.6247  2406.04    396.135  2384.39    535.156  2432.29    589.171  64.488  7.8218  64.773  8.6114  -0.2849121     11.63345  
1 1 1 -9  60  22 o 92.804  3.6833  4718.89    370.233  5317.50    567.857  4276.29    488.283  97.735  5.3852  87.714  5.1624  10.02059       7.459898  
1 1 1 -9  60  23 o 96.424  3.0580  5080.56    319.371  5177.88    523.338  5022.81    403.142  96.491  5.0249  95.609  3.8930  0.8817291      6.356553  
1 1 1 -9  60  24 o 25.837  7.5349  395.200    223.859  703.912    452.253  295.015    257.635  33.640  10.882  23.377  8.2132  10.26264       13.63362  
1 1 1 -9  60  25 o 46.170  5.0531  1213.32    248.565  1711.95    502.339  1051.66    286.036  52.346  9.1957  42.316  6.4445  10.03077       11.22908  
1 1 1 -9  60  26 o 28.426  7.5469  504.716    236.246  118.641    478.917  628.875    271.589  23.310  10.144  31.562  7.9491  -8.251383      12.88787  
1 1 1 -9  60  27 o 80.682  3.6585  3631.36    319.705  3627.86    643.722  3632.50    368.344  76.438  7.8888  80.184  4.2565  -3.746216      8.963843  
1 1 1 -9  60  28 o 51.124  4.8495  1512.52    265.319  1047.85    546.794  1655.62    303.434  36.512  11.975  53.150  5.3433  -16.63843      13.11292  
1 1 1 -9  60  29 o 29.218  11.657  645.256    555.836  0.0000     0.0000   645.256    555.836  ?       ?       29.218  11.657  0.000000       11.65729  
1 1 1 -9  60  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  61  1  o 237.016 4.3076  30478.32   1105.82  31360.62   1565.51  29599.69   1562.25  240.214 6.0171  233.349 6.1812  6.864548       8.626269  
1 1 1 -9  61  2  o 62.330  2.7783  2105.53    187.562  2205.44    264.375  2004.28    266.140  63.653  3.8529  60.649  4.0751  3.003136       5.608148  
1 1 1 -9  61  3  o 137.965 3.1754  10318.54   474.501  10225.06   669.751  10412.75   672.348  137.268 4.5048  138.523 4.4813  -1.255615      6.354119  
1 1 1 -9  61  4  o 104.835 2.7544  5956.55    312.753  5974.70    454.394  5940.22    431.122  104.949 3.9975  104.654 3.8034  0.2951050      5.517769  
1 1 1 -9  61  5  o 192.676 3.6941  20134.38   770.904  19792.19   1091.27  20475.27   1089.18  190.884 5.2783  194.161 5.1793  -3.276886      7.394917  
1 1 1 -9  61  6  o 178.196 5.6716  17260.11   1094.65  17328.83   1392.28  17148.85   1771.47  178.348 7.2076  176.837 9.2814  1.510635       11.75129  
1 1 1 -9  61  7  o 219.070 4.1655  26046.25   988.371  25924.17   1398.00  26168.26   1397.54  218.318 5.9122  219.348 5.8825  -1.030136      8.340097  
1 1 1 -9  61  8  o 286.318 5.1344  44554.88   1592.24  42789.40   2250.46  46324.46   2253.07  280.043 7.4195  291.462 7.1371  -11.41949      10.29504  
1 1 1 -9  61  9  o 169.841 3.5201  15651.22   647.540  15834.40   914.945  15467.39   916.576  170.674 4.9495  168.676 5.0170  1.998245       7.047528  
1 1 1 -9  61  10 o 92.858  2.8454  4676.18    286.179  4721.02    403.040  4630.59    406.418  93.239  3.9910  92.337  4.0638  0.9020004      5.695817  
1 1 1 -9  61  11 o 76.671  2.9730  3189.04    246.884  3237.78    359.438  3145.51    339.693  77.059  4.3240  75.971  4.1439  1.088089       5.989072  
1 1 1 -9  61  12 o 170.574 3.5369  15802.39   653.449  15362.36   922.094  16246.29   926.152  167.927 5.0697  172.714 4.9509  -4.787262      7.086139  
1 1 1 -9  61  13 o 158.829 3.4062  13704.26   585.967  13083.30   828.500  14325.77   828.865  154.923 4.9375  162.159 4.7193  -7.235123      6.830086  
1 1 1 -9  61  14 o 48.777  3.3858  1299.20    177.767  1237.74    247.352  1364.85    255.655  47.386  4.8897  49.799  4.7992  -2.413418      6.851417  
1 1 1 -9  61  15 o 163.058 3.4800  14460.12   614.606  13982.38   865.700  14945.62   872.711  159.982 4.9960  165.437 4.8704  -5.454559      6.977204  
1 1 1 -9  61  16 o 185.615 3.7487  18760.88   753.632  19108.41   1072.58  18422.01   1059.14  186.816 5.3009  183.419 5.3314  3.397583       7.518150  
1 1 1 -9  61  17 o 14.480  6.0818  18.173     161.445  22.053     240.811  15.006     217.588  17.519  7.3968  16.579  7.0171  0.9403305      10.19567  
1 1 1 -9  61  18 o 12.710  5.7936  -109.4957  176.235  -123.9941  251.782  -95.5696   246.762  15.568  7.0279  15.786  7.0551  -0.2178259     9.958245  
1 1 1 -9  61  19 o 35.238  6.6648  710.859    245.053  606.944    329.488  839.491    366.586  32.239  9.0600  37.765  9.0751  -5.526176      12.82346  
1 1 1 -9  61  20 o 22.420  7.8025  258.587    232.249  161.095    305.367  392.364    357.706  21.819  8.6608  27.407  9.6731  -5.588303      12.98374  
1 1 1 -9  61  21 o 68.570  4.0034  2586.30    296.035  2017.28    436.974  3069.00    402.465  59.592  6.8976  74.396  5.0241  -14.80407      8.533383  
1 1 1 -9  61  22 o 19.326  7.7065  123.350    242.798  139.614    365.667  110.526    324.708  22.651  9.3008  21.209  8.7431  1.441948       12.76506  
1 1 1 -9  61  23 o 63.603  3.9183  2232.80    268.613  2354.31    544.123  2193.65    308.874  63.454  8.1021  62.829  4.5702  0.6247635      9.302231  
1 1 1 -9  61  24 o 30.200  7.0929  544.378    228.054  784.648    465.930  468.682    261.522  35.079  11.012  27.894  8.1468  7.185087       13.69801  
1 1 1 -9  61  25 o 40.896  5.1551  959.573    223.274  868.592    372.742  1010.48    278.832  36.728  9.3467  41.372  6.4314  -4.643929      11.34569  
1 1 1 -9  61  26 o 66.453  3.9734  2475.85    284.674  2476.40    576.638  2475.68    327.346  62.629  8.7388  66.070  4.6032  -3.440197      9.877031  
1 1 1 -9  61  27 o 54.198  4.3163  1668.00    251.272  2095.49    431.991  1449.42    308.904  58.780  6.9178  49.543  5.8709  9.237122       9.073163  
1 1 1 -9  61  28 o 22.676  7.9147  316.217    239.060  441.998    497.289  278.413    272.629  26.749  10.899  22.064  8.3375  4.684921       13.72229  
1 1 1 -9  61  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  62  1  o 248.162 4.5287  33423.75   1217.25  34857.46   1723.26  31996.04   1719.64  253.175 6.2843  242.518 6.5467  10.65706       9.074835  
1 1 1 -9  62  2  o 255.004 4.6710  35297.64   1290.12  36018.31   1825.27  34578.18   1823.73  257.305 6.5495  252.085 6.6795  5.219482       9.354775  
1 1 1 -9  62  3  o 167.655 3.4858  15242.17   632.974  15383.52   894.445  15100.37   895.876  168.321 4.9062  166.760 4.9601  1.561096       6.976602  
1 1 1 -9  62  4  o 156.912 3.3833  13350.93   575.003  13680.68   813.082  13021.04   813.272  158.740 4.7291  154.856 4.8489  3.884262       6.773158  
1 1 1 -9  62  5  o 118.355 2.9779  7593.97    381.743  7051.88    537.751  8144.67    542.005  113.984 4.3558  122.515 4.0846  -8.530342      5.971310  
1 1 1 -9  62  6  o 190.689 4.3427  19739.06   896.921  19321.51   1096.14  20585.03   1560.24  188.543 5.3677  194.291 7.4143  -5.747437      9.153352  
1 1 1 -9  62  7  o 179.515 3.6123  17483.01   702.345  16893.37   991.321  18077.30   995.221  176.295 5.1916  182.388 5.0379  -6.092499      7.234214  
1 1 1 -9  62  8  o 90.803  2.8380  4470.59    279.110  4192.71    391.618  4757.46    397.900  87.876  4.1145  93.619  3.9241  -5.742218      5.685772  
1 1 1 -9  62  9  o 43.254  3.6370  1022.60    168.808  899.099    242.182  1139.31    235.423  40.240  5.7175  45.521  4.8495  -5.281948      7.497207  
1 1 1 -9  62  10 o 142.739 3.2101  11055.41   496.279  10982.08   700.101  11129.47   703.602  142.125 4.5480  143.076 4.5404  -0.9514618     6.426447  
1 1 1 -9  62  11 o 130.842 3.1125  9290.75    441.090  9081.61    625.343  9497.83    622.260  129.215 4.4682  132.159 4.3472  -2.943298      6.233998  
1 1 1 -9  62  12 o 150.826 3.2933  12353.20   537.994  12273.61   759.603  12433.31   762.078  150.133 4.6713  151.109 4.6563  -0.9762268     6.595616  
1 1 1 -9  62  13 o 113.101 2.9944  6945.52    366.818  6787.65    519.847  7102.07    517.677  111.654 4.2986  114.227 4.1843  -2.572815      5.998857  
1 1 1 -9  62  14 o 118.111 3.0640  7578.14    391.968  7560.86    558.999  7594.85    549.769  117.787 4.3817  118.065 4.2992  -0.2782822     6.138595  
1 1 1 -9  62  15 o 68.329  3.0318  2536.89    224.374  2597.80    312.506  2472.09    322.349  68.911  4.2071  67.175  4.4557  1.735741       6.128067  
1 1 1 -9  62  16 o 56.729  3.7200  1760.17    227.304  1814.72    356.289  1722.72    295.180  57.202  5.8323  55.911  4.9246  1.291023       7.633311  
1 1 1 -9  62  17 o 32.269  5.7607  589.275    193.950  760.847    276.728  423.626    271.910  36.420  7.2698  27.420  8.3806  9.000143       11.09437  
1 1 1 -9  62  18 o 23.536  8.0037  290.220    243.921  516.268    360.703  99.745     331.107  30.310  9.7094  21.494  8.8409  8.816301       13.13139  
1 1 1 -9  62  19 o 67.141  4.5041  2482.11    325.641  2854.29    449.014  2069.16    472.971  71.635  5.8379  60.415  7.3815  11.22042       9.411054  
1 1 1 -9  62  20 o 121.732 3.8430  8109.04    506.700  8353.42    641.074  7702.24    827.127  123.195 4.8045  117.332 6.5345  5.862762       8.110655  
1 1 1 -9  62  21 o 47.334  5.2015  1253.71    262.272  1710.86    392.802  885.942    352.311  54.838  6.7563  38.613  8.6399  16.22475       10.96795  
1 1 1 -9  62  22 o 33.731  7.1416  666.630    252.784  738.597    376.783  607.721    340.888  34.886  9.6476  31.847  9.3012  3.039127       13.40105  
1 1 1 -9  62  23 o 16.142  2.9319  146.721    49.370   441.225    438.631  142.942    49.686   28.764  10.634  15.917  2.9919  12.84665       11.04714  
1 1 1 -9  62  24 o 16.258  6.9392  21.316     215.893  81.936     443.324  2.4705     247.185  22.955  9.8745  16.940  7.3298  6.015207       12.29763  
1 1 1 -9  62  25 o 21.230  7.6806  244.246    226.960  733.006    465.006  91.402     260.038  32.947  11.052  18.617  7.7618  14.33016       13.50491  
1 1 1 -9  62  26 o 36.240  6.4706  789.849    244.662  305.491    500.542  941.899    280.447  25.849  10.772  39.449  6.8099  -13.59971      12.74407  
1 1 1 -9  62  27 o 26.031  1.5690  370.415    44.030   -271.8847  484.595  375.762    44.213   19.291  9.0690  26.220  1.5640  -6.928446      9.202883  
1 1 1 -9  62  28 o 34.928  8.1280  801.441    301.713  1017.50    516.591  689.589    371.695  36.074  11.626  31.153  9.8433  4.921659       15.23352  
1 1 1 -9  62  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  63  1  o 230.258 4.5362  28780.97   1131.30  29291.16   1720.01  28391.97   1501.89  231.938 6.8468  228.483 6.0690  3.455521       9.149384  
1 1 1 -9  63  2  o 16.658  5.4442  144.700    113.054  56.060     175.783  207.229    147.639  16.026  6.4986  19.665  6.2026  -3.639093      8.983515  
1 1 1 -9  63  3  o 149.462 3.2792  12113.25   530.850  11223.90   749.317  13009.37   752.161  143.765 4.8122  154.806 4.4859  -11.04105      6.578815  
1 1 1 -9  63  4  o 183.799 3.6386  18324.84   724.352  18245.32   1024.95  18404.18   1023.83  183.248 5.1641  184.047 5.1360  -0.7993164     7.283300  
1 1 1 -9  63  5  o 70.332  3.3607  2682.79    256.007  2622.07    430.283  2716.07    318.518  69.192  5.7949  70.616  4.1832  -1.423370      7.146992  
1 1 1 -9  63  6  o 115.829 3.4346  7277.57    430.884  6899.53    524.249  8064.62    756.442  112.729 4.2937  121.753 5.7362  -9.024780      7.165195  
1 1 1 -9  63  7  o 65.218  2.9536  2306.51    208.639  2335.18    284.062  2272.93    307.444  65.463  4.0259  64.538  4.4249  0.9242249      5.982293  
1 1 1 -9  63  8  o 255.307 4.6586  35427.91   1288.22  35603.21   1821.03  35252.32   1822.60  255.477 6.5811  254.204 6.6197  1.272827       9.334372  
1 1 1 -9  63  9  o 146.629 3.2588  11666.39   517.539  11281.37   732.716  12049.72   731.108  144.037 4.6967  148.882 4.5339  -4.844955      6.528023  
1 1 1 -9  63  10 o 31.006  4.6693  534.554    151.946  761.670    222.337  335.530    208.133  36.948  5.7424  24.584  7.2921  12.36352       9.281722  
1 1 1 -9  63  11 o 125.409 3.0653  8536.42    416.358  8517.00    590.825  8555.59    586.834  125.122 4.3597  125.410 4.3203  -0.2882767     6.137722  
1 1 1 -9  63  12 o 140.922 3.2839  10786.56   501.236  10900.65   690.810  10659.72   728.392  141.480 4.5081  139.855 4.8086  1.625763       6.591317  
1 1 1 -9  63  13 o 102.862 2.9430  5745.25    327.874  5529.67    466.009  5956.58    461.394  100.765 4.2699  104.608 4.0722  -3.843857      5.900433  
1 1 1 -9  63  14 o 116.041 3.0046  7315.14    377.627  7160.35    532.133  7472.17    535.979  114.622 4.2863  117.102 4.2259  -2.479500      6.019154  
1 1 1 -9  63  15 o 42.545  3.8668  993.872    176.239  790.867    254.940  1179.69    243.905  37.391  6.5328  46.199  4.9516  -8.807789      8.197309  
1 1 1 -9  63  16 o 165.314 3.5032  14879.60   627.250  14661.25   891.679  15093.48   882.523  163.632 5.0312  166.071 4.9064  -2.439224      7.027489  
1 1 1 -9  63  17 o 153.124 4.0759  12801.58   675.980  12908.15   1108.27  12738.44   853.029  152.710 6.7005  152.371 5.1688  0.3390198      8.462472  
1 1 1 -9  63  18 o 82.099  4.2559  3696.24    377.142  3902.90    524.833  3475.57    542.316  83.926  5.8094  78.984  6.3942  4.942032       8.639193  
1 1 1 -9  63  19 o 73.253  4.3788  2951.61    345.824  3017.93    477.761  2878.63    501.220  73.566  6.0497  71.668  6.5287  1.898132       8.900663  
1 1 1 -9  63  20 o 58.615  4.1889  1893.76    264.183  2117.48    420.017  1747.32    339.820  61.307  6.4206  55.873  5.6949  5.433674       8.582350  
1 1 1 -9  63  21 o 65.742  2.3142  2351.16    164.781  2643.05    459.991  2308.19    176.495  68.475  6.2719  65.113  2.5026  3.361885       6.752724  
1 1 1 -9  63  22 o 36.552  7.1051  780.223    271.156  686.110    438.754  838.381    344.909  33.712  10.699  37.375  8.6855  -3.663219      13.78061  
1 1 1 -9  63  23 o 24.099  8.2889  320.560    261.740  121.951    419.938  446.729    334.706  23.300  9.7989  27.787  9.3759  -4.486923      13.56196  
1 1 1 -9  63  24 o 29.999  1.5834  490.558    51.266   81.738     428.310  496.500    51.637   22.523  9.6971  30.181  1.5852  -7.657831      9.825809  
1 1 1 -9  63  25 o 24.916  7.6976  380.588    228.692  958.921    462.720  193.660    263.067  37.353  10.816  20.638  8.0866  16.71483       13.50462  
1 1 1 -9  63  26 o 17.194  7.2309  67.211     228.669  305.789    473.506  -5.3537    261.139  25.453  10.531  16.888  7.4163  8.565525       12.88046  
1 1 1 -9  63  27 o 39.889  6.0152  952.902    251.806  1397.90    522.241  818.112    287.423  43.983  10.993  35.896  7.6280  8.086914       13.38032  
1 1 1 -9  63  28 o 50.904  5.9966  1556.88    324.277  1193.97    549.488  1750.81    401.683  38.715  11.927  52.927  7.1934  -14.21215      13.92840  
1 1 1 -9  63  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  64  1  o 137.997 3.1383  10325.76   469.068  10482.05   668.712  10174.37   658.140  138.950 4.4434  136.896 4.4387  2.054108       6.280581  
1 1 1 -9  64  2  o 284.931 5.4248  44132.49   1674.14  44442.91   2567.16  43902.77   2208.34  285.210 8.3103  283.786 7.1846  1.423248       10.98547  
1 1 1 -9  64  3  o 264.413 5.1581  37994.26   1477.22  39621.11   2261.54  36783.63   1950.91  269.426 7.7499  259.802 6.9331  9.623840       10.39847  
1 1 1 -9  64  4  o 153.998 3.3459  12862.72   558.081  12999.07   790.637  12727.32   787.861  154.696 4.7188  153.067 4.7522  1.628876       6.697065  
1 1 1 -9  64  5  o 136.855 4.6746  10174.85   692.910  10369.76   928.538  9929.92    1040.91  137.993 6.2126  134.727 7.1589  3.266281       9.478731  
1 1 1 -9  64  6  o 185.953 3.7019  18765.98   745.581  18213.73   1052.79  19321.66   1056.05  182.991 5.3118  188.496 5.1726  -5.504684      7.414234  
1 1 1 -9  64  7  o 23.375  5.5452  309.375    138.274  382.845    196.468  237.266    194.643  26.022  6.8698  21.448  7.1499  4.573950       9.915420  
1 1 1 -9  64  8  o 102.291 2.9018  5675.29    321.493  5425.64    456.152  5921.70    453.184  99.930  4.2145  104.415 4.0072  -4.484680      5.815434  
1 1 1 -9  64  9  o 13.426  5.6369  13.216     138.585  -133.8531  193.413  168.389    198.670  13.178  6.0308  19.571  7.1698  -6.393429      9.368909  
1 1 1 -9  64  10 o 77.006  2.9012  3217.65    241.976  3038.11    346.600  3388.36    337.974  74.617  4.3070  78.857  3.9698  -4.240211      5.857411  
1 1 1 -9  64  11 o 49.477  3.2745  1335.21    174.485  1408.72    245.167  1259.76    248.383  50.670  4.5146  47.840  4.8611  2.829082       6.634100  
1 1 1 -9  64  12 o 126.395 3.0852  8675.90    422.358  8337.89    591.140  9028.40    603.665  123.728 4.4112  128.763 4.3285  -5.035057      6.180138  
1 1 1 -9  64  13 o 165.602 3.4879  14910.89   625.605  14907.62   883.406  14914.18   886.077  165.254 4.9356  165.287 4.9495  -0.3260803E-01 6.989828  
1 1 1 -9  64  14 o 155.970 3.3851  13228.69   571.856  13102.75   807.237  13355.56   810.223  154.901 4.8115  156.396 4.7831  -1.494827      6.784401  
1 1 1 -9  64  15 o 20.454  1.6312  228.252    35.837   486.505    239.683  222.347    36.244   29.100  7.5425  20.182  1.6732  8.917540       7.725871  
1 1 1 -9  64  16 o 59.829  2.7258  1945.19    176.637  2252.49    343.707  1834.90    205.909  63.934  5.0034  57.971  3.2930  5.963364       5.989809  
1 1 1 -9  64  17 o 38.441  6.4179  837.689    257.796  774.728    367.360  898.779    361.859  36.346  9.2951  39.259  8.7352  -2.913555      12.75552  
1 1 1 -9  64  18 o 22.669  7.9335  260.538    240.277  578.912    351.675  -18.2043   329.059  31.622  9.5015  19.566  8.4616  12.05546       12.72311  
1 1 1 -9  64  19 o 22.640  7.0277  286.789    190.364  380.627    270.430  194.618    268.018  26.109  8.4116  21.619  8.2433  4.490301       11.77740  
1 1 1 -9  64  20 o 128.619 3.3381  9034.74    465.028  9937.51    678.808  8236.38    638.352  134.355 4.6647  122.248 4.8211  12.10683       6.708378  
1 1 1 -9  64  21 o 168.973 3.7282  15648.78   682.321  16571.04   984.937  14797.76   946.129  172.864 5.2606  163.288 5.3497  9.576141       7.502846  
1 1 1 -9  64  22 o 135.882 3.4929  10119.39   514.062  10138.82   763.386  10103.27   695.353  135.026 5.2198  135.092 4.7523  -0.6568909E-01 7.059116  
1 1 1 -9  64  23 o 35.972  7.3353  769.693    276.109  727.823    451.551  794.696    348.944  34.031  10.860  35.906  8.9923  -1.875381      14.09931  
1 1 1 -9  64  24 o 40.250  5.5366  935.620    234.975  700.389    462.347  1017.54    272.837  32.714  11.020  41.670  6.2369  -8.956455      12.66226  
1 1 1 -9  64  25 o 35.384  6.3707  748.175    235.178  1008.95    460.511  656.168    273.538  38.372  10.685  32.351  7.8797  6.021687       13.27654  
1 1 1 -9  64  26 o 33.624  6.7616  691.557    237.710  739.873    460.601  674.017    277.524  32.430  10.998  32.529  7.9453  -0.9904861E-01 13.56815  
1 1 1 -9  64  27 o 32.550  7.1097  664.915    243.640  562.559    493.795  697.852    280.110  28.763  11.132  32.829  7.9600  -4.065578      13.68520  
1 1 1 -9  64  28 o 23.124  10.345  127.660    531.862  0.0000     0.0000   127.660    531.862  ?       ?       23.124  10.345  0.000000       10.34462  
1 1 1 -9  65  1  o 106.927 2.8335  6198.80    328.160  6699.03    467.123  5711.36    461.111  111.103 3.8818  102.570 4.1506  8.532242       5.682980  
1 1 1 -9  65  2  o 193.236 3.7442  20262.12   783.643  21426.60   1110.05  19105.21   1106.44  198.533 5.1623  187.430 5.4503  11.10364       7.506952  
1 1 1 -9  65  3  o 109.184 2.9168  6463.92    344.933  6172.71    486.290  6758.80    489.343  106.624 4.2109  111.582 4.0490  -4.958023      5.841725  
1 1 1 -9  65  4  o 143.792 3.2492  11215.16   506.028  10829.43   737.083  11559.05   695.950  141.161 4.8209  145.881 4.4046  -4.720367      6.530094  
1 1 1 -9  65  5  o 193.747 5.3688  20422.92   1126.64  18890.48   1588.54  21973.90   1598.12  185.839 7.8921  200.563 7.3568  -14.72427      10.78925  
1 1 1 -9  65  6  o 93.009  2.8408  4691.29    286.174  4294.31    404.935  5087.39    404.489  88.914  4.2048  96.800  3.8580  -7.885887      5.706537  
1 1 1 -9  65  7  o 169.691 3.5155  15629.50   646.120  15326.38   914.051  15932.22   913.452  167.838 5.0282  171.139 4.9280  -3.300751      7.040406  
1 1 1 -9  65  8  f 147.255 3.2562  11768.28   519.333  11592.30   735.487  11943.27   733.414  145.986 4.6515  148.191 4.5694  -2.204865      6.520405  
1 1 1 -9  65  9  o 148.996 3.2791  12051.62   529.172  12229.89   747.944  11872.95   748.781  149.916 4.6063  147.701 4.6806  2.215408       6.567031  
1 1 1 -9  65  10 o 181.444 3.6664  17889.53   720.531  18282.14   1018.52  17496.20   1019.45  183.126 5.1351  179.118 5.2548  4.007492       7.347253  
1 1 1 -9  65  11 o 71.132  2.8772  2746.56    221.669  2693.18    312.310  2800.75    314.677  70.232  4.1237  71.632  4.0727  -1.400505      5.795890  
1 1 1 -9  65  12 o 147.350 3.3005  11798.44   526.752  11499.80   743.963  12098.65   745.922  145.213 4.7301  148.969 4.6230  -3.756256      6.614121  
1 1 1 -9  65  13 o 61.002  3.1309  2027.32    206.169  1981.75    296.281  2070.09    287.071  60.104  4.5859  61.477  4.3392  -1.372952      6.313341  
1 1 1 -9  65  14 o 77.887  3.1971  3298.11    269.705  3262.76    396.302  3328.61    368.099  77.142  4.7665  77.994  4.3751  -0.8520508     6.469979  
1 1 1 -9  65  15 o 59.475  3.4645  1931.99    222.208  2018.99    315.440  1846.30    313.073  60.563  4.8495  57.859  5.0463  2.704441       6.998777  
1 1 1 -9  65  16 o 115.066 4.2636  7232.69    531.362  7177.53    741.581  7290.90    761.744  113.985 6.0282  114.840 6.1464  -0.8547592     8.609152  
1 1 1 -9  65  17 o 95.279  4.1716  4961.92    430.491  5096.25    596.524  4815.93    621.880  95.996  5.7640  93.157  6.1988  2.838524       8.464520  
1 1 1 -9  65  18 o 40.658  4.7125  919.034    203.677  828.180    284.880  1014.04    291.314  37.932  7.1973  42.255  6.5793  -4.322819      9.751287  
1 1 1 -9  65  19 o 24.512  1.5184  327.148    40.113   188.012    271.733  330.247    40.557   21.539  8.2794  24.627  1.5280  -3.088123      8.419236  
1 1 1 -9  65  20 o 113.438 3.3867  7032.64    416.110  7217.32    598.495  6859.83    578.928  114.381 4.8310  111.528 4.7926  2.852524       6.804948  
1 1 1 -9  65  21 o 135.158 3.5280  10001.94   516.462  9658.56    752.148  10308.28   710.413  131.940 5.2633  136.580 4.8024  -4.639435      7.124938  
1 1 1 -9  65  22 o 36.488  6.9362  778.956    264.099  802.562    406.488  761.712    347.415  36.017  10.043  35.361  9.0370  0.6557159      13.51001  
1 1 1 -9  65  23 o 83.683  4.0896  3878.09    370.670  3651.25    616.844  4006.29    463.736  79.062  7.2853  84.404  5.0966  -5.342155      8.891068  
1 1 1 -9  65  24 o 61.622  4.0229  2123.32    267.029  1738.82    528.552  2255.09    309.420  51.978  9.7466  63.240  4.5477  -11.26223      10.75542  
1 1 1 -9  65  25 o 70.119  3.7824  2744.90    286.196  2525.02    566.284  2820.33    331.672  63.665  8.4187  70.741  4.3499  -7.075356      9.476126  
1 1 1 -9  65  26 o 38.608  5.4933  875.007    223.234  973.668    479.411  847.693    252.249  36.768  11.104  37.467  6.4485  -0.6995964     12.84069  
1 1 1 -9  65  27 o 14.736  6.6463  -62.0481   224.598  -238.0634  445.334  -2.0056    260.100  18.598  8.7274  16.700  7.3653  1.898140       11.41989  
1 1 1 -9  65  28 o 27.331  11.288  487.519    542.558  0.0000     0.0000   487.519    542.558  ?       ?       27.331  11.288  0.000000       11.28771  
1 1 1 -9  66  1  o 235.391 4.3129  30094.96   1099.58  31222.86   1556.23  28970.49   1553.85  239.434 6.0009  230.588 6.2216  8.846634       8.644037  
1 1 1 -9  66  2  o 54.553  2.9788  1618.75    175.340  1743.53    252.431  1502.43    243.733  56.512  4.1532  52.416  4.3320  4.095860       6.001326  
1 1 1 -9  66  3  o 218.734 4.1115  25981.80   974.075  25689.47   1377.42  26274.24   1377.68  217.194 5.8553  219.666 5.7905  -2.471527      8.234944  
1 1 1 -9  66  4  o 170.949 4.3853  15877.50   811.964  14394.86   1323.34  16772.69   1028.27  162.261 7.5298  175.554 5.4079  -13.29321      9.270582  
1 1 1 -9  66  5  o 75.472  2.8138  3089.04    230.010  3158.82    262.978  2861.89    474.460  76.305  3.1820  72.202  6.1249  4.103508       6.902115  
1 1 1 -9  66  6  o 131.966 3.0871  9448.02    441.249  9071.86    621.814  9829.56    626.251  129.188 4.4439  134.491 4.2992  -5.302826      6.183172  
1 1 1 -9  66  7  o 136.738 3.1448  10146.05   465.752  10207.96   656.926  10083.47   660.435  137.018 4.4266  136.174 4.4778  0.8443451      6.296445  
1 1 1 -9  66  8  o 31.631  4.6029  555.663    153.066  370.382    211.017  761.409    222.366  25.666  7.2638  36.932  5.7458  -11.26619      9.261536  
1 1 1 -9  66  9  o 53.945  3.1741  1585.33    184.640  1869.15    267.592  1327.39    255.097  58.465  4.2549  49.129  4.8576  9.336052       6.457605  
1 1 1 -9  66  10 o 81.640  2.8398  3617.46    251.106  3645.25    354.857  3589.59    355.379  81.863  4.0022  81.233  4.0392  0.6307220      5.686127  
1 1 1 -9  66  11 o 75.205  3.0130  3071.31    245.423  3003.19    352.571  3135.35    341.837  74.122  4.4116  75.776  4.1812  -1.654198      6.078238  
1 1 1 -9  66  12 o 61.204  3.0901  2040.19    204.183  2097.58    294.401  1986.99    283.429  61.880  4.4217  60.226  4.3749  1.654488       6.220179  
1 1 1 -9  66  13 o 34.458  4.6018  659.143    167.456  637.748    225.817  685.282    249.604  33.522  6.4538  34.693  6.8856  -1.171169      9.437329  
1 1 1 -9  66  14 o 67.736  3.2218  2495.14    236.365  2475.11    336.801  2514.57    331.797  67.154  4.6594  67.710  4.5507  -0.5560303     6.512993  
1 1 1 -9  66  15 o 156.304 4.7523  13366.56   804.541  12223.77   1130.59  14538.96   1145.14  148.581 7.0254  162.291 6.5147  -13.71071      9.581094  
1 1 1 -9  66  16 o 170.911 5.0370  16019.58   932.414  15510.80   1312.40  16538.15   1324.95  167.055 7.2533  172.599 7.0875  -5.543747      10.14117  
1 1 1 -9  66  17 o 107.368 3.2174  6279.55    374.151  6376.31    552.738  6197.72    508.309  107.828 4.7328  106.394 4.4110  1.433311       6.469673  
1 1 1 -9  66  18 o 39.161  4.9625  856.434    205.763  792.259    293.466  918.491    288.580  36.948  7.5873  40.054  6.9010  -3.106712      10.25627  
1 1 1 -9  66  19 f 71.471  3.5036  2791.01    271.218  2898.00    396.704  2697.11    371.642  72.303  5.0984  69.787  4.9489  2.516159       7.105262  
1 1 1 -9  66  20 o 82.397  3.6546  3717.52    326.151  4065.97    487.318  3434.79    438.957  85.510  5.2876  78.608  5.1848  6.902000       7.405456  
1 1 1 -9  66  21 o 44.929  5.6638  1141.39    269.492  1306.38    411.251  1017.22    356.768  47.042  8.3787  41.444  8.2381  5.597256       11.75021  
1 1 1 -9  66  22 o 116.165 3.5062  7408.50    441.142  7469.90    650.601  7356.24    600.183  115.713 5.1911  115.065 4.8158  0.6486969      7.080962  
1 1 1 -9  66  23 o 78.932  4.2077  3470.71    358.423  3895.57    599.254  3234.06    447.240  81.838  6.8228  75.439  5.5118  6.398277       8.770995  
1 1 1 -9  66  24 o 29.658  7.1620  539.266    227.464  885.553    454.073  423.256    262.818  36.074  10.787  26.187  8.2773  9.886713       13.59669  
1 1 1 -9  66  25 o 29.206  7.3270  530.160    231.384  897.066    464.318  408.942    266.883  35.828  10.952  25.654  8.3637  10.17370       13.78006  
1 1 1 -9  66  26 o 32.306  7.0228  648.405    238.725  877.474    476.978  571.847    275.747  34.718  11.170  29.672  8.2705  5.046061       13.89840  
1 1 1 -9  66  27 o 30.939  8.4806  637.858    292.646  1201.02    484.021  313.371    367.407  40.488  10.827  23.786  9.4815  16.70280       14.39195  
1 1 1 -9  66  28 o 33.130  12.022  885.651    556.616  0.0000     0.0000   885.651    556.616  ?       ?       33.130  12.022  0.000000       12.02161  
1 1 1 -9  67  1  o 273.944 5.2619  40836.91   1561.26  41503.09   2391.01  40341.75   2061.38  275.298 8.0188  271.776 7.0029  3.521759       10.64620  
1 1 1 -9  67  2  o 119.884 2.9702  7795.27    385.667  8019.64    545.617  7571.23    545.214  121.508 4.1459  118.051 4.2641  3.456100       5.947307  
1 1 1 -9  67  3  o 176.926 3.5619  16990.61   682.565  17205.34   966.987  16777.37   963.608  177.842 5.0201  175.609 5.0662  2.233047       7.132205  
1 1 1 -9  67  4  f 155.445 3.8875  13122.33   654.519  12057.19   1133.04  13655.78   801.838  148.529 7.0431  158.475 4.6715  -9.945526      8.451503  
1 1 1 -9  67  5  o 101.854 3.1747  5629.28    350.225  5430.95    421.963  6068.42    627.893  99.994  3.8961  105.400 5.5193  -5.406616      6.755945  
1 1 1 -9  67  6  o 64.805  2.9502  2278.54    207.077  2507.72    289.771  2039.34    296.031  67.822  3.9619  61.071  4.5072  6.751110       6.001004  
1 1 1 -9  67  7  o 89.163  2.8106  4313.05    271.431  4056.30    381.025  4577.59    386.761  86.383  4.0724  91.781  3.8906  -5.398010      5.632179  
1 1 1 -9  67  8  o 216.167 4.1031  25410.72   960.660  24376.26   1357.06  26449.81   1360.10  211.247 5.9312  220.119 5.7048  -8.872238      8.229446  
1 1 1 -9  67  9  o 81.649  2.8627  3618.28    253.157  3620.79    362.448  3615.89    353.747  81.478  4.1205  81.536  4.0057  -0.5768585E-01 5.746622  
1 1 1 -9  67  10 o 94.329  2.8875  4830.50    295.015  4648.77    421.361  5005.25    413.188  92.411  4.2098  95.915  3.9773  -3.504379      5.791498  
1 1 1 -9  67  11 o 95.194  2.8981  4920.73    298.814  4870.12    426.783  4969.41    418.511  94.567  4.1667  95.542  4.0443  -0.9744797     5.806715  
1 1 1 -9  67  12 o 119.996 3.0465  7822.90    395.953  7744.62    565.219  7898.32    554.849  119.191 4.3783  120.390 4.2551  -1.198929      6.105364  
1 1 1 -9  67  13 o 68.447  3.2197  2547.27    238.693  2573.23    343.692  2523.08    331.750  68.493  4.6606  67.841  4.5411  0.6518784      6.507195  
1 1 1 -9  67  14 o 25.548  7.5568  368.155    223.755  238.462    324.272  486.030    309.145  23.958  9.0834  29.334  8.9298  -5.375875      12.73769  
1 1 1 -9  67  15 o 32.562  6.5170  605.445    221.818  612.346    295.795  596.578    335.301  32.490  8.3578  32.134  9.1780  0.3564301      12.41321  
1 1 1 -9  67  16 o 136.423 3.3445  10137.72   494.178  10074.03   711.613  10197.05   686.794  135.562 4.8466  136.454 4.6470  -0.8917847     6.714436  
1 1 1 -9  67  17 o 177.537 3.6881  17207.42   709.192  17708.06   1010.23  16720.95   995.821  179.392 5.1993  174.280 5.2755  5.112305       7.407011  
1 1 1 -9  67  18 o 38.288  2.0184  798.266    83.405   918.457    284.482  786.963    87.239   40.056  6.8003  38.003  2.1280  2.053303       7.125443  
1 1 1 -9  67  19 o 58.995  3.7934  1913.14    241.107  1787.85    342.699  2035.94    339.280  56.504  5.6765  60.474  5.2314  -3.970272      7.719430  
1 1 1 -9  67  20 o 55.108  2.8175  1659.94    167.608  2002.64    396.289  1585.28    184.966  59.543  6.2374  53.780  3.1896  5.762424       7.005673  
1 1 1 -9  67  21 o 45.848  5.4689  1186.62    266.217  1098.90    395.022  1259.60    360.339  42.791  8.8164  46.516  7.4001  -3.724659      11.51042  
1 1 1 -9  67  22 o 23.279  8.1024  296.020    250.450  384.396    377.064  226.250    335.029  26.803  9.8687  23.180  9.1126  3.622681       13.43241  
1 1 1 -9  67  23 o 64.317  4.3957  2319.17    304.382  2441.49    462.434  2225.67    404.317  64.586  6.7085  62.044  6.0952  2.541630       9.063973  
1 1 1 -9  67  24 o 41.195  5.4740  983.811    238.196  1234.09    478.703  901.454    274.604  42.924  10.405  38.745  6.7913  4.179497       12.42507  
1 1 1 -9  67  25 o 67.077  3.7042  2513.63    268.069  2914.57    564.224  2396.74    304.650  68.947  7.6864  65.122  4.3441  3.825043       8.829021  
1 1 1 -9  67  26 o 29.010  7.4610  534.115    235.759  364.958    469.431  591.172    272.636  25.871  10.571  30.176  8.1500  -4.305355      13.34763  
1 1 1 -9  67  27 f 15.697  7.1861  -103.0461  274.952  -33.7896   456.421  -142.4947  344.470  20.562  9.3537  17.112  7.9093  3.450415       12.24943  
1 1 1 -9  67  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  68  1  o 180.063 3.4868  17599.71   680.021  18308.61   962.463  16893.06   960.930  183.454 4.8438  176.187 5.0356  7.266663       6.987076  
1 1 1 -9  68  2  o 193.716 3.9853  20384.98   836.171  20723.13   1258.59  20117.79   1118.77  194.944 5.9608  192.199 5.3742  2.744736       8.025813  
1 1 1 -9  68  3  f 157.426 3.3711  13451.67   574.798  13165.62   812.772  13737.88   813.003  155.559 4.8240  158.919 4.7233  -3.359985      6.751309  
1 1 1 -9  68  4  o 72.606  4.0728  2873.61    318.993  2655.35    443.568  3107.40    459.080  69.520  5.9482  75.290  5.6713  -5.769844      8.218551  
1 1 1 -9  68  5  o 68.177  2.8675  2521.69    211.746  2555.81    295.409  2485.64    303.670  68.463  4.0012  67.492  4.1746  0.9703827      5.782470  
1 1 1 -9  68  6  o 40.435  3.5458  894.748    153.721  783.652    219.329  1002.01    215.510  37.508  5.5679  42.645  4.7464  -5.136997      7.316446  
1 1 1 -9  68  7  o 200.466 3.8978  21845.40   846.315  21495.97   1197.34  22194.28   1196.40  198.467 5.5701  201.690 5.4767  -3.223557      7.811528  
1 1 1 -9  68  8  o 269.382 4.8764  39549.20   1422.79  40248.48   2012.56  38850.52   2011.70  270.915 6.8588  266.109 6.9796  4.805359       9.785606  
1 1 1 -9  68  9  o 87.217  2.8652  4129.27    270.660  4052.54    386.877  4202.82    378.793  86.292  4.1393  87.894  3.9790  -1.601799      5.741624  
1 1 1 -9  68  10 o 80.442  2.9360  3513.82    255.810  3485.76    373.498  3538.61    351.082  79.878  4.3333  80.631  4.0201  -0.7523041     5.910881  
1 1 1 -9  68  11 o 123.982 3.0568  8350.54    410.486  8138.05    582.377  8560.34    578.669  122.189 4.4005  125.344 4.2624  -3.155136      6.126376  
1 1 1 -9  68  12 o 74.400  3.0465  3007.90    245.498  2845.24    339.599  3185.96    355.305  72.101  4.3693  76.321  4.3159  -4.219154      6.141455  
1 1 1 -9  68  13 o 131.815 4.4617  9485.96    636.995  9383.03    904.637  9587.19    897.105  130.544 6.3980  131.998 6.2749  -1.453857      8.961510  
1 1 1 -9  68  14 o 50.553  5.0092  1412.81    270.663  1627.66    390.854  1214.86    375.178  53.852  6.8566  46.158  7.7811  7.693676       10.37105  
1 1 1 -9  68  15 o 115.314 3.5929  7247.05    448.748  7435.98    560.122  6908.44    749.853  116.615 4.4346  111.722 6.2215  4.893433       7.640217  
1 1 1 -9  68  16 o 40.052  4.7365  891.291    201.497  1057.01    292.681  741.976    277.819  43.246  6.4455  35.860  7.3984  7.385418       9.812247  
1 1 1 -9  68  17 o 43.422  4.6433  1046.11    214.991  1104.45    325.068  1000.75    286.633  43.978  7.0635  41.979  6.5154  1.999702       9.609528  
1 1 1 -9  68  18 f 29.045  6.6866  489.007    205.995  500.247    305.435  479.628    278.999  29.374  8.8613  28.736  8.4210  0.6387100      12.22437  
1 1 1 -9  68  19 o 66.282  3.7655  2413.58    269.212  2504.54    406.417  2342.47    359.359  66.935  5.6589  64.892  5.1553  2.042938       7.655132  
1 1 1 -9  68  20 o 71.773  3.8427  2833.33    297.641  2801.39    433.877  2861.73    409.072  70.714  5.7137  71.637  5.3100  -0.9230118     7.800215  
1 1 1 -9  68  21 o 35.196  6.9207  725.521    254.420  980.664    379.745  517.719    342.708  40.230  8.9464  29.567  9.4633  10.66362       13.02277  
1 1 1 -9  68  22 o 58.920  4.7022  1946.95    297.579  1893.37    453.452  1987.48    394.385  56.597  7.5882  58.755  6.2953  -2.158138      9.859636  
1 1 1 -9  68  23 f 59.843  4.6252  2020.99    297.466  1534.91    449.163  2400.74    397.008  49.675  8.6632  64.576  5.7359  -14.90035      10.39002  
1 1 1 -9  68  24 o 37.078  6.0366  811.757    234.084  862.189    467.098  794.844    270.504  35.369  11.013  36.101  7.1708  -0.7327080     13.14201  
1 1 1 -9  68  25 o 64.682  3.9812  2350.54    277.559  2575.51    556.715  2276.13    320.193  64.206  8.1922  63.194  4.7120  1.012264       9.450650  
1 1 1 -9  68  26 o 42.754  5.4898  1075.66    248.342  1050.61    496.703  1084.01    286.757  37.626  11.289  42.301  6.4640  -4.675388      13.00857  
1 1 1 -9  68  27 o 33.825  9.6539  804.911    371.118  584.189    497.941  1080.73    556.630  28.785  11.168  36.738  12.084  -7.952749      16.45417  
1 1 1 -9  69  1  o 119.330 3.0148  7726.58    389.656  8148.64    552.698  7309.50    549.430  122.437 4.1678  115.940 4.3753  6.497467       6.042662  
1 1 1 -9  69  2  o 158.374 3.3655  13616.71   577.294  13331.29   818.951  13898.63   813.906  156.502 4.8313  159.819 4.7019  -3.316727      6.741664  
1 1 1 -9  69  3  o 97.217  3.2440  5130.23    341.583  4860.35    598.173  5260.82    416.098  94.195  5.8928  98.396  3.9044  -4.200928      7.068849  
1 1 1 -9  69  4  o 173.097 5.0384  16320.08   944.610  15862.55   1332.81  16781.86   1338.97  170.135 7.2328  175.044 7.0624  -4.908646      10.10896  
1 1 1 -9  69  5  o 114.382 2.9421  7099.91    364.492  6454.85    514.511  7749.79    516.432  108.927 4.3610  119.398 3.9934  -10.47088      5.913188  
1 1 1 -9  69  6  o 132.023 3.0859  9462.03    441.269  9382.60    620.636  9543.23    627.519  131.309 4.3639  132.427 4.3750  -1.117645      6.179337  
1 1 1 -9  69  7  o 83.120  2.5692  3748.23    231.297  3279.89    360.540  4075.79    301.521  77.511  4.3116  86.633  3.2134  -9.121803      5.377359  
1 1 1 -9  69  8  o 48.169  3.3489  1266.61    173.631  1227.14    248.701  1304.15    242.519  47.185  4.9395  48.704  4.6540  -1.518833      6.786669  
1 1 1 -9  69  9  o 166.921 3.4901  15145.75   630.988  14851.53   891.815  15440.67   892.889  164.970 4.9911  168.234 4.9002  -3.263382      6.994529  
1 1 1 -9  69  10 o 75.637  2.8633  3106.53    234.572  3146.13    332.371  3067.23    331.102  75.908  4.0573  74.942  4.0946  0.9662476      5.764352  
1 1 1 -9  69  11 o 70.404  2.5077  2690.29    191.224  2482.09    332.408  2793.27    233.781  67.296  4.5878  71.703  3.0102  -4.407013      5.487222  
1 1 1 -9  69  12 o 66.225  4.3820  2403.14    312.540  1931.02    452.441  2834.05    432.247  58.692  7.2730  71.691  5.6115  -12.99843      9.186131  
1 1 1 -9  69  13 o 62.712  4.3039  2156.75    290.570  2301.87    401.633  1997.36    420.900  64.476  5.8137  59.826  6.6057  4.649807       8.799728  
1 1 1 -9  69  14 o 33.442  6.3211  636.263    220.572  865.513    299.831  365.855    325.636  38.882  7.3897  26.633  9.2406  12.24887       11.83204  
1 1 1 -9  69  15 o 99.530  3.0800  5391.10    332.031  5205.82    471.572  5573.26    467.578  97.543  4.4636  100.969 4.2756  -3.426247      6.180923  
1 1 1 -9  69  16 o 63.811  3.6633  2229.50    252.125  1906.37    384.672  2472.86    333.826  58.383  6.1771  67.004  4.6283  -8.621185      7.718615  
1 1 1 -9  69  17 o 29.067  2.1363  461.368    66.783   734.903    282.715  445.203    68.728   35.549  7.5744  28.538  2.2416  7.011467       7.899078  
1 1 1 -9  69  18 o 38.144  5.0911  816.270    205.084  505.823    294.364  1109.09    285.887  29.436  8.6564  44.263  6.1276  -14.82697      10.60571  
1 1 1 -9  69  19 o 58.101  4.1699  1863.20    260.662  1795.85    407.637  1909.78    339.035  56.155  6.8437  58.456  5.4164  -2.300526      8.727777  
1 1 1 -9  69  20 o 104.808 3.5447  6017.94    402.387  6222.10    607.645  5858.50    537.002  105.687 5.3255  102.910 4.8178  2.776680       7.181348  
1 1 1 -9  69  21 o 52.370  2.4346  1495.18    138.093  1282.67    425.739  1520.17    145.986  46.066  8.8545  52.788  2.5533  -6.721985      9.215324  
1 1 1 -9  69  22 o 92.829  3.6683  4759.11    368.825  4601.01    547.775  4890.23    498.846  89.931  5.6525  93.238  4.9576  -3.306641      7.518499  
1 1 1 -9  69  23 o 69.522  4.2160  2708.58    315.966  2790.60    477.003  2644.46    421.766  69.054  6.4524  67.685  5.8095  1.368729       8.682372  
1 1 1 -9  69  24 f 53.678  2.7987  1588.31    162.150  2486.42    522.443  1492.58    170.574  63.856  7.7098  51.946  3.0450  11.91016       8.289356  
1 1 1 -9  69  25 o 49.527  4.7970  1407.33    254.101  1805.90    508.503  1274.68    293.352  52.544  9.2741  46.416  5.9737  6.127941       11.03151  
1 1 1 -9  69  26 o 15.810  6.9083  5.8860     224.077  57.016     455.430  -10.4445   257.386  21.673  9.6426  16.531  7.3068  5.142221       12.09830  
1 1 1 -9  69  27 o 24.956  9.5529  385.703    360.814  226.913    480.880  590.261    545.799  23.785  10.258  28.982  11.555  -5.196871      15.45119  
1 1 1 -9  70  1  o 87.254  2.8370  4130.78    268.110  4096.47    379.032  4165.14    379.297  86.807  4.0314  87.534  4.0007  -0.7270508     5.679554  
1 1 1 -9  70  2  o 68.943  2.7748  2578.82    207.201  2490.54    293.003  2667.14    293.049  67.567  4.0220  69.946  3.8835  -2.379295      5.590837  
1 1 1 -9  70  3  o 91.042  3.1462  4499.53    310.243  3780.50    525.926  4883.27    384.213  82.998  5.8886  94.797  3.7420  -11.79900      6.977004  
1 1 1 -9  70  4  o 173.988 4.1089  16463.25   774.309  15894.92   946.233  17615.18   1347.14  170.760 5.1161  179.273 6.9379  -8.513016      8.620245  
1 1 1 -9  70  5  o 270.989 5.2351  40053.51   1536.56  39306.11   2029.73  41056.83   2351.69  267.701 7.0003  273.098 7.9504  -5.397369      10.59313  
1 1 1 -9  70  6  f 239.068 4.7162  31139.49   1221.19  31058.38   1621.28  31245.85   1856.60  238.199 6.2841  238.526 7.1864  -0.3265991     9.546470  
1 1 1 -9  70  7  o 181.086 3.8101  17832.95   747.298  17522.91   1005.11  18216.18   1117.48  179.189 5.1788  182.566 5.6513  -3.376755      7.665350  
1 1 1 -9  70  8  o 195.666 3.9927  20834.68   846.169  20968.47   1133.10  20666.00   1272.28  195.918 5.3398  194.263 6.0468  1.655472       8.067004  
1 1 1 -9  70  9  o 24.116  5.5938  330.743    143.279  165.814    209.620  475.365    196.292  19.731  7.3402  28.879  6.4395  -9.148357      9.764546  
1 1 1 -9  70  10 o 101.950 2.9680  5645.97    327.732  5693.29    466.124  5599.71    460.887  102.219 4.2102  101.378 4.1974  0.8417130      5.945049  
1 1 1 -9  70  11 o 56.315  4.6279  1742.69    279.782  1600.76    409.842  1866.56    382.875  53.376  7.2790  57.976  6.1932  -4.599850      9.557181  
1 1 1 -9  70  12 o 39.304  5.8626  866.299    241.939  852.627    357.798  877.817    328.395  38.338  8.8026  39.067  8.0294  -0.7292442     11.91454  
1 1 1 -9  70  13 f 13.779  6.2564  -116.6667  202.999  -260.2487  303.904  -0.9893    272.779  15.810  7.3497  18.183  7.7815  -2.373224      10.70380  
1 1 1 -9  70  14 o 35.852  2.2321  700.463    86.246   915.634    306.430  681.951    89.880   40.010  7.3418  35.360  2.3604  4.650204       7.711907  
1 1 1 -9  70  15 o 32.607  5.6538  601.818    192.437  780.263    285.333  452.927    260.636  36.794  7.4161  28.083  8.1133  8.711218       10.99197  
1 1 1 -9  70  16 o 28.321  6.1597  460.918    183.565  369.730    260.677  550.615    258.536  25.777  8.2537  30.738  7.7635  -4.961382      11.33122  
1 1 1 -9  70  17 o 57.271  3.8465  1802.03    237.217  1687.70    356.982  1892.43    317.441  54.816  6.1170  58.396  5.0692  -3.579678      7.944475  
1 1 1 -9  70  18 o 51.423  4.2504  1461.47    234.614  1668.01    363.713  1314.30    307.030  54.345  6.2958  48.258  6.0039  6.086582       8.699632  
1 1 1 -9  70  19 o 28.923  7.9279  492.438    255.752  184.339    408.591  690.912    327.940  24.331  9.8926  34.000  8.8274  -9.668531      13.25844  
1 1 1 -9  70  20 o 59.665  4.3209  1973.14    277.338  2152.88    404.077  1813.07    381.339  61.643  6.1336  56.434  6.3490  5.208946       8.827894  
1 1 1 -9  70  21 o 93.790  3.5725  4839.76    362.909  4710.62    540.777  4945.57    489.506  91.415  5.4871  94.094  4.8193  -2.678955      7.303056  
1 1 1 -9  70  22 o 44.414  5.8425  1142.28    274.230  1261.09    409.107  1045.33    369.543  45.067  8.6963  40.993  8.5976  4.074085       12.22880  
1 1 1 -9  70  23 o 61.922  2.9056  2107.98    194.870  2213.81    479.254  2087.01    213.299  60.666  7.4503  61.430  3.2170  -0.7644157     8.115214  
1 1 1 -9  70  24 o 27.410  7.4973  468.434    229.005  762.378    458.150  370.533    264.405  33.215  10.965  24.676  8.3333  8.538939       13.77193  
1 1 1 -9  70  25 o 29.462  7.2943  545.320    231.531  561.524    465.955  540.007    266.799  29.052  10.917  28.928  8.1609  0.1238976      13.62997  
1 1 1 -9  70  26 o 13.961  6.6270  -253.2189  270.595  -523.8290  448.023  -97.8149   339.515  16.585  8.0393  17.540  8.0131  -0.9555321     11.35076  
1 1 1 -9  70  27 o 41.007  12.193  1337.52    581.416  0.0000     0.0000   1337.52    581.416  ?       ?       41.007  12.193  0.000000       12.19343  
1 1 1 -9  71  1  o 110.754 2.8711  6657.08    344.408  6910.71    487.521  6404.39    486.613  112.733 3.9928  108.508 4.1405  4.225021       5.752035  
1 1 1 -9  71  2  o 174.796 3.5680  16601.12   675.502  16418.33   956.563  16782.94   954.048  173.536 5.0893  175.468 5.0200  -1.932159      7.148478  
1 1 1 -9  71  3  o 139.140 4.5020  10540.50   678.474  10611.61   957.881  10468.91   961.141  139.243 6.3514  138.288 6.4170  0.9545288      9.028721  
1 1 1 -9  71  4  o 56.129  2.9665  1714.95    179.702  1695.60    246.591  1736.87    262.423  55.678  4.1183  56.325  4.3349  -0.6476517     5.979274  
1 1 1 -9  71  5  o 52.786  3.0216  1517.74    172.038  1210.79    242.218  1830.24    244.395  46.886  4.8393  57.879  3.9217  -10.99269      6.228835  
1 1 1 -9  71  6  f 93.803  2.8250  4776.28    287.017  4479.31    400.621  5089.44    411.399  90.726  4.0769  96.725  3.9270  -5.998558      5.660574  
1 1 1 -9  71  7  o 157.130 3.3632  13417.19   572.375  13020.11   810.885  13811.50   808.044  154.500 4.8457  159.163 4.6873  -4.662766      6.741822  
1 1 1 -9  71  8  o 216.962 4.3955  25650.41   1032.92  25206.58   1376.64  26222.15   1562.47  214.538 5.9244  218.523 6.6015  -3.985245      8.870122  
1 1 1 -9  71  9  o 90.763  2.9401  4474.46    289.032  4204.81    412.868  4733.63    404.758  87.834  4.3399  93.237  4.0081  -5.403580      5.907561  
1 1 1 -9  71  10 o 47.544  5.0459  1249.10    255.869  808.351    381.377  1609.89    345.050  37.319  9.4311  53.843  6.0197  -16.52406      11.18849  
1 1 1 -9  71  11 o 28.260  6.7800  457.785    204.865  707.729    283.621  185.111    296.237  35.082  7.6774  22.285  8.6230  12.79745       11.54546  
1 1 1 -9  71  12 o 97.071  4.0811  5139.73    429.077  5094.93    602.772  5185.75    610.924  96.124  5.8170  96.972  5.8439  -0.8479767     8.245518  
1 1 1 -9  71  13 o 87.222  3.0514  4137.94    288.264  4096.93    416.256  4175.74    399.588  86.463  4.4601  87.446  4.2189  -0.9827652     6.139349  
1 1 1 -9  71  14 o 42.620  1.7559  985.305    81.055   795.000    263.508  1005.19    85.185   37.335  6.7656  43.046  1.8271  -5.710995      7.007967  
1 1 1 -9  71  15 o 77.853  2.7651  3296.86    233.161  3562.43    401.409  3161.64    286.437  80.484  4.6242  76.144  3.4732  4.340607       5.783227  
1 1 1 -9  71  16 o 62.417  2.7044  2119.76    182.829  2672.94    374.733  1946.95    209.449  69.524  5.0100  59.670  3.2531  9.854088       5.973524  
1 1 1 -9  71  17 o 29.457  6.1106  499.255    188.564  540.299    269.446  459.860    263.977  30.345  8.0614  28.137  8.1756  2.207821       11.48161  
1 1 1 -9  71  18 o 17.797  6.7678  130.219    180.357  -14.7336   254.682  276.041    255.445  17.185  7.4380  23.169  8.1746  -5.983686      11.05208  
1 1 1 -9  71  19 o 44.964  2.1587  1099.42    105.128  1160.19    361.475  1093.80    109.878  44.559  7.7725  44.782  2.2728  -0.2233658     8.098026  
1 1 1 -9  71  20 o 57.538  4.4250  1840.35    273.651  1703.69    397.176  1963.86    377.569  54.359  6.9014  58.827  6.0103  -4.467243      9.151668  
1 1 1 -9  71  21 o 33.932  7.1798  688.591    255.638  648.508    381.498  721.256    344.396  32.148  9.9437  33.981  9.1525  -1.833385      13.51467  
1 1 1 -9  71  22 o 41.200  6.4051  1000.42    276.536  1108.67    419.786  917.440    367.559  41.538  9.5327  37.978  9.0619  3.559696       13.15261  
1 1 1 -9  71  23 o 60.365  4.6767  2063.59    303.385  2041.61    459.152  2080.63    404.188  58.164  7.4604  59.538  6.3666  -1.374344      9.807686  
1 1 1 -9  71  24 o 70.814  3.7887  2803.60    289.530  2739.41    574.180  2825.49    335.276  66.405  8.1546  70.707  4.3997  -4.302422      9.265828  
1 1 1 -9  71  25 o 32.636  6.8742  658.647    235.315  476.289    473.676  718.398    271.139  27.608  10.841  33.678  7.6122  -6.070158      13.24662  
1 1 1 -9  71  26 o 44.621  6.5129  1211.45    305.490  782.461    511.843  1448.82    380.741  32.231  11.550  47.981  7.5780  -15.74958      13.81410  
1 1 1 -9  72  1  o 141.411 3.1951  10860.08   489.364  10794.91   693.327  10924.77   690.810  140.783 4.5469  141.635 4.5032  -0.8519897     6.399445  
1 1 1 -9  72  2  f 84.059  2.9325  3835.70    266.990  3722.68    401.152  3925.58    357.729  82.557  4.5033  84.961  3.8874  -2.404526      5.949106  
1 1 1 -9  72  3  o 126.296 4.3264  8683.77    591.820  8533.37    834.268  8836.13    839.676  124.858 6.1691  127.068 6.1010  -2.210487      8.676417  
1 1 1 -9  72  4  o 150.616 3.3460  12325.02   545.845  11568.80   803.498  12973.09   743.832  145.612 5.0947  154.333 4.4498  -8.721176      6.764386  
1 1 1 -9  72  5  o 120.625 2.9814  7900.77    389.516  7310.88    547.924  8503.47    553.842  115.859 4.3664  124.995 4.0909  -9.136246      5.983388  
1 1 1 -9  72  6  o 61.372  2.9281  2045.15    194.639  2017.73    277.411  2071.74    273.160  60.725  4.2445  61.554  4.1211  -0.8289719     5.916013  
1 1 1 -9  72  7  o 43.264  3.3979  1023.61    157.941  919.526    221.134  1131.99    225.659  40.722  5.1274  45.327  4.6630  -4.605442      6.930618  
1 1 1 -9  72  8  o 123.986 3.0567  8351.44    410.478  8775.07    582.012  7932.17    579.006  126.907 4.2343  120.623 4.4318  6.283859       6.129430  
1 1 1 -9  72  9  o 23.782  7.3312  312.359    207.568  249.163    323.467  356.599    270.638  24.221  9.0969  25.762  8.4235  -1.540869      12.39794  
1 1 1 -9  72  10 o 90.894  4.0346  4502.98    397.199  4487.83    560.643  4518.24    562.811  90.266  5.7646  90.571  5.7673  -0.3055954     8.154228  
1 1 1 -9  72  11 o 138.323 4.5856  10453.71   687.009  10319.80   969.469  10588.79   973.700  136.812 6.5424  138.605 6.4860  -1.792664      9.212553  
1 1 1 -9  72  12 o 84.813  3.0892  3912.37    283.778  3883.28    406.554  3940.01    396.287  84.183  4.4749  84.829  4.3275  -0.6462784     6.225167  
1 1 1 -9  72  13 o 35.002  4.7252  682.491    174.554  811.055    248.404  557.082    245.337  37.859  6.2779  31.053  7.3995  6.805340       9.703817  
1 1 1 -9  72  14 o 69.226  3.2976  2610.70    247.247  2399.03    365.617  2789.07    335.624  65.884  5.1650  71.263  4.3694  -5.378441      6.765234  
1 1 1 -9  72  15 o 91.285  3.0824  4538.91    304.764  4706.42    467.954  4415.52    401.615  92.490  4.6866  89.830  4.1278  2.660645       6.245219  
1 1 1 -9  72  16 o 94.011  3.2114  4819.40    326.997  5064.92    480.849  4608.17    446.002  96.024  4.6234  91.627  4.4941  4.396286       6.447672  
1 1 1 -9  72  17 o 15.351  6.5093  14.236     187.780  -64.1878   288.496  71.885     247.350  17.558  7.7497  18.504  7.6297  -0.9450569     10.87518  
1 1 1 -9  72  18 o 32.933  6.0882  622.583    209.171  558.616    319.856  670.379    276.485  30.752  9.0178  33.751  7.7296  -2.999983      11.87719  
1 1 1 -9  72  19 o 39.252  6.0709  881.506    249.772  728.540    389.475  988.365    325.526  34.571  9.8977  41.048  7.6019  -6.477211      12.48010  
1 1 1 -9  72  20 o 53.309  4.6978  1590.27    268.476  1492.92    390.023  1677.95    370.122  50.498  7.3463  54.026  6.4528  -3.528469      9.777861  
1 1 1 -9  72  21 o 39.760  6.3668  926.189    264.926  795.750    403.249  1025.24    351.402  35.132  10.075  40.929  8.2125  -5.797276      12.99809  
1 1 1 -9  72  22 o 26.409  8.1570  427.824    256.820  559.587    384.796  321.985    344.872  29.733  10.053  24.650  9.3623  5.082851       13.73731  
1 1 1 -9  72  23 o 102.183 3.7525  5806.64    415.307  6528.25    637.094  5273.41    547.663  106.598 5.5371  96.027  5.2860  10.57083       7.655141  
1 1 1 -9  72  24 o 55.845  4.0846  1757.83    245.347  1847.14    518.334  1732.04    278.524  53.233  9.3301  55.077  4.7144  -1.844055      10.45351  
1 1 1 -9  72  25 f 27.375  7.5836  477.593    232.592  350.393    465.871  519.826    268.442  25.609  10.505  28.267  8.2534  -2.657631      13.35920  
1 1 1 -9  72  26 o 35.194  9.4297  852.065    366.706  871.301    489.403  827.440    553.737  34.013  11.337  32.796  11.977  1.216381       16.49181  
1 1 1 -9  73  1  o 130.155 3.1153  9200.45    439.168  8620.75    620.835  9781.06    621.321  125.783 4.5571  134.029 4.2800  -8.246040      6.251843  
1 1 1 -9  73  2  o 93.153  4.0610  4722.34    409.733  4819.96    575.149  4621.75    583.847  93.723  5.6928  91.722  5.9084  2.001205       8.204739  
1 1 1 -9  73  3  o 100.860 3.1981  5525.99    349.364  5253.66    422.834  6111.86    620.193  98.261  3.9730  105.629 5.4394  -7.367996      6.735840  
1 1 1 -9  73  4  f 25.100  5.1233  356.266    134.566  420.511    187.718  288.355    193.001  27.156  6.4736  22.912  7.0703  4.243778       9.586276  
1 1 1 -9  73  5  o 58.507  2.8690  1858.57    181.810  1827.55    252.578  1891.93    261.912  57.802  4.0602  58.805  4.1385  -1.002850      5.797614  
1 1 1 -9  73  6  o 13.921  5.3497  70.591     113.429  -0.4795    152.332  159.032    169.932  13.702  5.8382  18.506  6.6526  -4.803474      8.851023  
1 1 1 -9  73  7  o 112.409 3.0416  6864.60    370.315  6539.10    529.099  7177.15    518.471  109.513 4.4607  114.780 4.1705  -5.267380      6.106617  
1 1 1 -9  73  8  o 77.480  3.4290  3264.88    287.755  2890.33    510.111  3439.69    348.497  72.202  6.5958  79.357  4.0683  -7.154152      7.749516  
1 1 1 -9  73  9  f 31.513  6.6986  567.257    221.592  458.943    343.886  644.165    289.773  29.042  9.4952  33.415  8.0926  -4.372246      12.47590  
1 1 1 -9  73  10 o 133.931 4.5218  9796.34    655.941  9249.02    926.851  10345.54   928.432  129.349 6.6380  137.110 6.2519  -7.760330      9.118655  
1 1 1 -9  73  11 o 24.043  1.3071  314.227    33.910   242.516    223.887  315.910    34.306   21.991  7.6603  24.107  1.3189  -2.116707      7.773001  
1 1 1 -9  73  12 o 62.407  3.3911  2126.84    228.360  1980.06    313.518  2292.72    333.287  59.939  4.8714  64.542  4.8021  -4.602222      6.840354  
1 1 1 -9  73  13 o 45.670  4.1596  1148.95    203.499  936.438    311.908  1306.45    268.523  40.424  7.3965  48.510  5.1912  -8.086510      9.036451  
1 1 1 -9  73  14 o 107.333 3.0613  6272.75    355.882  6143.23    509.979  6395.70    496.862  105.902 4.4461  108.111 4.2432  -2.208900      6.145940  
1 1 1 -9  73  15 o 36.881  4.7748  759.177    186.259  691.409    269.496  821.152    257.720  34.513  7.4293  37.939  6.5059  -3.426262      9.875262  
1 1 1 -9  73  16 o 88.325  3.3354  4258.13    319.086  4183.37    473.082  4320.53    432.197  86.973  5.0437  88.571  4.5203  -1.598495      6.772927  
1 1 1 -9  73  17 o 29.040  6.3447  488.021    193.983  232.208    281.767  718.513    267.458  22.654  8.4938  35.125  7.2698  -12.47096      11.18013  
1 1 1 -9  73  18 o 44.969  4.8077  1128.78    230.533  1330.77    365.574  995.420    297.040  48.033  7.2529  41.565  6.8358  6.467869       9.966516  
1 1 1 -9  73  19 o 77.856  3.6660  3327.82    309.138  3201.59    458.224  3433.27    418.806  75.475  5.6463  78.498  4.9512  -3.022865      7.509666  
1 1 1 -9  73  20 o 17.012  7.2753  20.882     238.162  -5.0576    356.230  41.848     320.258  19.954  8.7148  19.697  8.4305  0.2569199      12.12520  
1 1 1 -9  73  21 o 67.909  4.3006  2580.53    314.684  2572.25    487.534  2586.44    412.001  66.169  6.9044  67.171  5.7174  -1.002731      8.964333  
1 1 1 -9  73  22 o 75.857  4.0189  3212.33    329.021  3724.48    492.613  2799.84    442.087  80.522  5.6849  69.598  5.9209  10.92344       8.208229  
1 1 1 -9  73  23 o 25.048  8.3950  382.659    268.315  693.344    410.152  150.230    354.756  32.126  10.360  21.595  9.0398  10.53122       13.74957  
1 1 1 -9  73  24 o 16.306  7.3254  -60.0775   269.703  -624.7632  432.217  300.001    345.141  15.785  7.7063  23.720  9.2713  -7.934218      12.05591  
1 1 1 -9  73  25 o 14.086  6.4423  -99.5666   220.231  41.486     440.178  -146.6655  254.356  21.273  9.4712  14.625  6.7729  6.647782       11.64369  
1 1 1 -9  73  26 o 24.369  9.4077  349.983    351.983  243.810    467.877  488.421    534.261  24.005  10.230  27.783  11.306  -3.778042      15.24696  
1 1 1 -9  74  1  o 33.522  3.9006  619.570    138.974  504.844    196.783  733.730    196.296  29.802  6.2938  36.310  5.1345  -6.508575      8.122505  
1 1 1 -9  74  2  o 101.844 4.1263  5646.85    455.163  5412.83    635.151  5893.90    652.600  99.260  5.9351  103.615 5.8389  -4.354691      8.325728  
1 1 1 -9  74  3  o 84.292  2.7192  3856.76    248.257  3746.02    343.950  3977.20    358.690  82.978  3.8270  85.496  3.8735  -2.517380      5.445206  
1 1 1 -9  74  4  o 75.838  2.7869  3122.49    228.920  3037.36    318.929  3212.95    328.779  74.599  3.9614  76.729  3.9697  -2.130562      5.608187  
1 1 1 -9  74  5  o 80.997  2.8765  3562.69    252.350  3453.14    369.220  3658.73    345.695  79.493  4.3044  81.988  3.8929  -2.495461      5.803640  
1 1 1 -9  74  6  o 34.687  4.5907  667.538    168.233  619.587    245.321  710.107    231.146  32.929  7.0883  35.470  6.2448  -2.540955      9.446784  
1 1 1 -9  74  7  o 110.285 3.4277  6615.07    409.439  6622.78    697.585  6611.02    505.710  109.741 5.8904  110.127 4.2397  -0.3859787     7.257584  
1 1 1 -9  74  8  o 197.146 5.5175  21297.45   1178.14  21392.54   1669.35  21203.09   1662.95  196.414 7.8470  195.539 7.8519  0.8744659      11.10083  
1 1 1 -9  74  9  o 57.378  4.3432  1806.69    267.914  1715.92    381.328  1895.17    376.493  55.461  6.4697  58.426  6.0365  -2.964844      8.848515  
1 1 1 -9  74  10 o 74.744  3.0781  3037.82    249.185  2918.73    352.716  3156.49    352.086  72.963  4.4850  75.924  4.2992  -2.960854      6.212743  
1 1 1 -9  74  11 o 136.990 3.2974  10214.07   489.255  10298.27   684.530  10126.14   699.536  137.228 4.6055  136.035 4.7478  1.193146       6.614559  
1 1 1 -9  74  12 o 95.159  3.0741  4927.29    316.836  5035.87    454.155  4824.33    442.231  95.969  4.3692  93.936  4.3466  2.032715       6.162997  
1 1 1 -9  74  13 o 112.967 3.1538  6949.03    385.882  7037.36    549.393  6863.02    542.119  113.370 4.4742  111.958 4.4707  1.412117       6.324967  
1 1 1 -9  74  14 o 66.809  3.3733  2439.98    243.304  2832.03    363.134  2120.60    327.749  71.686  4.7030  61.933  4.9267  9.752991       6.811054  
1 1 1 -9  74  15 o 33.525  5.5037  636.182    192.912  649.005    296.205  626.736    254.220  33.237  8.2634  32.827  7.3348  0.4098320      11.04908  
1 1 1 -9  74  16 o 83.228  3.1688  3778.96    285.652  3671.89    416.594  3873.98    392.434  81.541  4.7374  83.893  4.3337  -2.352013      6.420595  
1 1 1 -9  74  17 o 89.043  3.3591  4332.21    323.966  4127.89    491.603  4489.06    430.723  86.203  5.2909  90.354  4.4013  -4.151176      6.882204  
1 1 1 -9  74  18 o 27.922  1.8009  425.213    54.172   808.764    342.578  415.376    54.862   36.693  8.7441  27.590  1.8465  9.102543       8.936993  
1 1 1 -9  74  19 o 67.954  3.9297  2552.61    287.997  2829.96    427.779  2322.69    389.488  70.830  5.6224  64.108  5.6677  6.721283       7.983361  
1 1 1 -9  74  20 o 62.324  4.2786  2167.79    287.068  2208.48    440.348  2137.71    378.569  61.619  6.7062  61.151  5.7845  0.4684448      8.856260  
1 1 1 -9  74  21 o 69.323  4.1287  2683.68    308.595  2707.52    456.405  2663.60    418.849  68.338  6.2348  68.124  5.7298  0.2144394      8.467802  
1 1 1 -9  74  22 o 27.048  8.1856  454.477    260.328  -22.3682   388.555  842.872    350.672  20.102  8.9268  36.263  8.9763  -16.16111      12.65949  
1 1 1 -9  74  23 o 37.855  1.2802  778.643    52.492   210.120    412.499  788.001    52.922   23.402  9.7678  38.082  1.2831  -14.68032      9.851702  
1 1 1 -9  74  24 o 22.622  8.4581  287.051    279.019  491.562    448.457  157.883    356.403  27.840  10.652  21.465  9.0272  6.375526       13.96238  
1 1 1 -9  74  25 o 70.066  4.6663  2809.90    352.095  2822.90    585.085  2802.51    440.857  66.577  8.2936  68.814  5.9742  -2.237015      10.22135  
1 1 1 -9  75  1  o 90.572  3.3076  4458.55    324.474  4465.38    589.422  4455.58    388.668  90.058  6.0783  90.470  3.9665  -0.4115524     7.257991  
1 1 1 -9  75  2  o 18.746  6.3199  180.275    152.072  218.793    176.750  70.500     298.383  20.477  6.8128  20.249  8.3674  0.2277794      10.79014  
1 1 1 -9  75  3  o 75.372  2.8573  3085.02    233.258  2881.81    341.798  3262.16    319.121  72.586  4.3679  77.424  3.8055  -4.838058      5.793128  
1 1 1 -9  75  4  o 87.311  2.8540  4139.99    269.899  4246.20    396.227  4048.05    368.653  88.288  4.1436  86.226  3.9474  2.061150       5.722832  
1 1 1 -9  75  5  o 91.865  2.7542  4582.62    274.046  4706.27    417.127  4488.72    363.503  92.938  4.1438  90.821  3.6953  2.116974       5.552170  
1 1 1 -9  75  6  o 68.909  3.3165  2582.05    247.529  2433.88    411.242  2666.23    309.966  66.386  5.7770  69.827  4.1167  -3.440842      7.093690  
1 1 1 -9  75  7  o 164.125 4.9398  14726.76   878.117  14310.17   1252.89  15128.98   1231.08  160.940 7.1875  165.626 6.8626  -4.685135      9.937600  
1 1 1 -9  75  8  o 114.077 4.1926  7097.82    518.027  6894.88    737.260  7295.72    728.030  111.831 6.1099  115.126 5.8579  -3.295013      8.464396  
1 1 1 -9  75  9  o 60.177  2.4395  1966.11    159.005  1913.19    317.212  1983.87    183.757  58.914  5.0190  60.424  2.8078  -1.509212      5.751030  
1 1 1 -9  75  10 o 50.229  3.7335  1382.37    201.661  1649.31    298.038  1156.95    273.874  54.636  5.0952  45.553  5.6738  9.083054       7.625814  
1 1 1 -9  75  11 o 57.930  2.1071  1821.37    132.207  1497.76    324.971  1885.55    144.725  51.832  5.8934  58.932  2.2674  -7.099983      6.314560  
1 1 1 -9  75  12 f 67.693  3.2111  2495.25    235.435  2462.31    333.573  2527.95    332.341  66.893  4.6325  67.801  4.5520  -0.9078064     6.494702  
1 1 1 -9  75  13 o 54.266  3.7182  1615.07    217.223  1521.01    317.365  1697.98    297.954  52.208  5.7054  55.369  5.0230  -3.161213      7.601446  
1 1 1 -9  75  14 o 32.440  5.3094  594.357    180.099  347.102    260.668  820.195    249.122  25.168  8.2687  37.981  6.2750  -12.81306      10.38014  
1 1 1 -9  75  15 o 104.560 3.0781  5960.10    348.589  6219.75    501.693  5717.73    484.704  106.462 4.3508  102.065 4.3846  4.397255       6.176947  
1 1 1 -9  75  16 o 51.013  4.0442  1435.25    221.623  1440.07    342.042  1431.76    290.963  50.428  6.4070  50.599  5.3922  -0.1714172     8.374064  
1 1 1 -9  75  17 o 40.014  4.8834  896.833    207.251  1191.12    300.580  630.127    286.147  45.776  6.2239  32.594  8.1321  13.18179       10.24049  
1 1 1 -9  75  18 o 76.542  3.6236  3214.50    300.408  3133.54    436.445  3287.38    414.116  74.795  5.4244  76.804  5.0055  -2.009407      7.380992  
1 1 1 -9  75  19 o 24.464  7.9006  346.589    238.462  463.251    370.420  264.024    311.622  28.276  9.8530  23.463  8.9023  4.813845       13.27909  
1 1 1 -9  75  20 o 26.596  7.6314  429.423    231.302  417.081    334.657  440.712    320.052  26.677  9.3614  27.108  9.1683  -0.4314346     13.10316  
1 1 1 -9  75  21 o 68.880  4.0997  2650.13    304.468  2470.71    447.889  2804.27    415.139  65.073  6.4393  70.012  5.5193  -4.939804      8.481016  
1 1 1 -9  75  22 o 72.108  4.2211  2917.98    328.232  3032.16    506.795  2835.47    430.791  71.751  6.5952  70.062  5.7270  1.688431       8.734670  
1 1 1 -9  75  23 o 67.271  4.4097  2559.85    319.521  2403.03    477.178  2687.32    430.204  63.092  7.1066  67.802  5.9175  -4.709652      9.247768  
1 1 1 -9  75  24 o 20.160  8.1809  168.303    278.798  -192.5683  448.223  396.027    356.059  19.238  8.9374  25.516  9.5518  -6.278086      13.08106  
1 1 1 -9  75  25 o 41.616  6.9738  1067.15    303.220  932.839    493.369  1148.67    384.385  35.371  11.358  41.802  8.7696  -6.431507      14.34959  
1 1 1 -9  76  1  o 123.086 4.4374  8261.66    591.567  7237.64    826.617  9336.69    846.959  114.516 6.6937  130.478 5.9931  -15.96221      8.984584  
1 1 1 -9  76  2  o 68.201  2.9182  2526.56    215.565  2504.88    298.999  2550.04    311.070  67.686  4.0978  68.275  4.2273  -0.5889587     5.887449  
1 1 1 -9  76  3  o 43.654  3.5370  1043.38    165.795  992.333    235.204  1093.79    233.742  42.282  5.2488  44.480  4.9349  -2.198025      7.204365  
1 1 1 -9  76  4  o 71.269  3.0968  2760.49    239.048  2541.36    331.446  2998.04    345.096  68.100  4.5193  74.025  4.3230  -5.924904      6.253998  
1 1 1 -9  76  5  o 26.015  6.5555  386.837    184.638  457.461    288.104  337.612    240.525  28.515  8.6072  24.873  7.9245  3.642389       11.69961  
1 1 1 -9  76  6  o 137.800 4.5018  10365.38   671.900  10479.59   951.341  10251.72   949.084  138.013 6.3642  136.485 6.4202  1.527618       9.040042  
1 1 1 -9  76  7  o 101.763 4.0530  5645.56    446.723  6015.18    640.680  5295.83    623.208  104.560 5.6785  98.029  5.8970  6.531319       8.186611  
1 1 1 -9  76  8  o 93.828  2.9821  4785.72    303.056  4779.88    433.191  4791.31    424.125  93.585  4.2737  93.713  4.1785  -0.1278152     5.977004  
1 1 1 -9  76  9  o 67.573  3.0214  2482.93    221.135  2590.90    324.787  2389.63    301.927  68.736  4.3855  66.028  4.2444  2.708389       6.103033  
1 1 1 -9  76  10 o 65.382  3.2194  2326.62    227.985  2302.33    323.841  2350.50    321.016  64.703  4.6521  65.399  4.5605  -0.6958771     6.514621  
1 1 1 -9  76  11 o 95.163  2.9272  4926.12    301.709  4440.57    471.788  5262.08    392.446  89.874  4.8648  98.226  3.6888  -8.352165      6.105174  
1 1 1 -9  76  12 f 17.429  6.5988  123.520    170.990  191.993    256.724  68.924     229.238  21.373  8.0872  17.980  7.3712  3.393126       10.94248  
1 1 1 -9  76  13 f 43.728  4.1308  1055.33    193.327  1132.59    273.485  978.167    273.327  44.936  5.7510  41.575  6.2644  3.361610       8.503897  
1 1 1 -9  76  14 f 55.862  3.8085  1714.10    229.057  1657.21    355.914  1754.33    299.270  54.310  6.1595  56.245  4.9635  -1.935120      7.910501  
1 1 1 -9  76  15 o 37.878  5.0237  804.203    201.019  697.382    308.408  883.106    265.059  34.372  8.3637  39.327  6.4461  -4.955334      10.55955  
1 1 1 -9  76  16 o 18.399  6.7519  156.100    176.292  139.866    258.093  170.299    241.375  20.140  7.9724  20.377  7.8102  -0.2366886     11.16062  
1 1 1 -9  76  17 o 82.838  3.3493  3754.13    300.503  3984.96    451.312  3570.28    402.769  84.710  4.9404  80.281  4.6520  4.428856       6.785878  
1 1 1 -9  76  18 o 34.133  6.5584  680.431    233.652  798.978    341.239  575.796    320.593  36.220  8.7879  30.822  9.0253  5.398350       12.59695  
1 1 1 -9  76  19 o 27.003  7.5454  439.401    229.213  675.005    332.708  226.556    316.230  32.907  9.0517  22.689  8.8729  10.21761       12.67523  
1 1 1 -9  76  20 o 38.380  6.0593  860.557    243.527  957.813    356.260  775.255    333.649  39.207  8.6239  35.116  8.7922  4.090996       12.31563  
1 1 1 -9  76  21 f 24.250  8.1723  347.399    254.287  245.755    419.767  406.323    319.605  24.395  9.9849  26.123  9.1495  -1.728334      13.54298  
1 1 1 -9  76  22 o 49.239  5.3247  1397.73    279.450  1485.94    416.687  1325.63    376.731  48.934  8.1485  46.438  7.7643  2.496315       11.25532  
1 1 1 -9  76  23 o 16.494  7.3126  -27.8862   259.693  229.430    386.568  -239.5286  350.586  23.159  9.5424  16.599  7.7746  6.560402       12.30864  
1 1 1 -9  76  24 o 31.831  1.2816  550.817    44.185   -273.8537  549.014  556.193    44.329   20.508  9.6448  31.986  1.2796  -11.47789      9.729350  
1 1 1 -9  77  1  o 46.608  5.8164  1209.18    287.228  1004.85    387.478  1458.41    427.932  41.718  8.8495  50.694  8.0638  -8.976124      11.97244  
1 1 1 -9  77  2  o 100.062 2.9806  5440.59    323.031  5323.42    460.638  5553.97    453.125  98.798  4.3047  100.941 4.1446  -2.142525      5.975609  
1 1 1 -9  77  3  f 66.593  3.0165  2409.97    217.570  2296.29    300.559  2535.11    315.354  64.746  4.3106  68.045  4.3010  -3.299187      6.089355  
1 1 1 -9  77  4  o 108.675 4.0230  6436.24    473.538  6059.33    659.938  6836.26    679.874  104.928 5.8298  111.525 5.6468  -6.596748      8.116223  
1 1 1 -9  77  5  o 108.340 4.1056  6399.12    481.769  6339.06    692.569  6455.44    670.609  107.270 5.9848  108.327 5.7360  -1.057693      8.289758  
1 1 1 -9  77  6  o 146.206 4.5775  11675.87   724.872  10959.28   1019.68  12407.96   1030.65  140.972 6.6783  150.134 6.3381  -9.162262      9.207125  
1 1 1 -9  77  7  o 78.120  3.0794  3318.33    260.553  3301.92    365.048  3335.37    372.004  77.650  4.3581  78.032  4.4197  -0.3815155     6.207016  
1 1 1 -9  77  8  o 115.171 3.0741  7213.75    383.476  7367.36    537.021  7053.93    547.773  116.164 4.2682  113.626 4.4509  2.537987       6.166731  
1 1 1 -9  77  9  f 61.529  3.3395  2067.13    221.721  2201.49    323.787  1948.50    304.245  63.243  4.7619  59.477  4.7628  3.766121       6.734984  
1 1 1 -9  77  10 o 41.311  4.3506  943.169    191.738  908.194    286.143  971.670    258.306  39.949  6.8602  41.600  5.8980  -1.650696      9.047053  
1 1 1 -9  77  11 o 42.064  2.0585  960.451    93.782   978.411    307.735  958.612    98.466   41.390  7.1214  41.962  2.1740  -0.5720215     7.445790  
1 1 1 -9  77  12 o 84.940  3.0753  3929.10    282.924  3913.66    400.215  3944.53    400.015  84.418  4.3923  84.756  4.3724  -0.3384476     6.197570  
1 1 1 -9  77  13 o 73.032  3.2628  2908.32    258.095  2905.99    374.436  2910.44    356.245  72.566  4.7910  72.689  4.5478  -0.1227646     6.605728  
1 1 1 -9  77  14 o 54.090  3.8003  1608.09    221.230  1556.46    328.332  1651.02    299.399  52.683  5.8530  54.487  5.1338  -1.804337      7.785491  
1 1 1 -9  77  15 o 84.509  3.2138  3897.41    294.168  3924.46    435.054  3874.63    399.276  84.283  4.7855  83.869  4.4109  0.4141235      6.508239  
1 1 1 -9  77  16 o 66.064  3.5606  2395.64    253.835  2558.26    386.003  2271.74    336.934  67.737  5.3037  63.944  4.9022  3.792263       7.222259  
1 1 1 -9  77  17 o 75.443  3.3458  3116.61    273.392  3240.97    404.697  3012.22    370.793  76.299  4.9234  73.646  4.6727  2.652481       6.787783  
1 1 1 -9  77  18 o 90.148  3.5325  4468.52    344.909  4538.96    515.184  4411.31    464.323  89.860  5.3170  88.860  4.8427  0.9996414      7.191773  
1 1 1 -9  77  19 o 52.046  4.9590  1532.64    276.165  1166.65    437.831  1774.46    355.893  42.871  9.6607  55.496  6.0172  -12.62567      11.38138  
1 1 1 -9  77  20 o 31.615  7.6143  612.575    257.624  369.378    416.763  762.973    327.742  26.476  10.233  34.832  8.7101  -8.355799      13.43764  
1 1 1 -9  77  21 o 38.549  6.1742  876.221    249.087  272.762    364.629  1404.23    341.073  23.932  9.4752  48.700  6.6393  -24.76742      11.56978  
1 1 1 -9  77  22 o 31.665  7.4896  623.926    252.841  463.910    375.233  757.001    342.190  27.350  9.8787  34.037  9.1045  -6.687704      13.43424  
1 1 1 -9  77  23 o 19.974  1.7598  219.182    37.682   349.843    394.058  217.976    37.855   25.142  9.8832  19.916  1.7734  5.225842       10.04101  
1 1 1 -9  77  24 o 17.408  7.6420  6.9692     277.076  243.566    442.895  -145.1767  355.162  23.946  10.066  17.551  8.0836  6.394163       12.91033  
1 1 1 -9  78  1  o 149.277 3.8335  12137.81   619.804  12052.21   755.109  12314.57   1085.10  148.536 4.6936  149.476 6.7024  -0.9398499     8.182396  
1 1 1 -9  78  2  o 113.740 3.0632  7031.94    377.357  6672.53    531.574  7397.06    535.778  110.570 4.4387  116.457 4.2477  -5.886345      6.143669  
1 1 1 -9  78  3  o 135.419 4.4523  10009.91   653.035  9939.09    919.975  10081.83   927.128  134.403 6.3197  135.364 6.3236  -0.9603424     8.940186  
1 1 1 -9  78  4  o 77.585  3.7842  3278.90    317.997  3334.43    446.512  3221.75    452.991  77.842  5.3280  76.468  5.5062  1.373970       7.662017  
1 1 1 -9  78  5  o 142.299 4.5180  11059.65   696.333  10525.28   986.980  11589.25   982.563  138.158 6.5957  145.105 6.2518  -6.946793      9.087850  
1 1 1 -9  78  6  o 46.510  3.6268  1185.15    181.256  1272.60    257.927  1099.83    254.772  47.958  5.0410  44.472  5.4000  3.485630       7.387278  
1 1 1 -9  78  7  o 151.239 3.3339  12449.48   546.110  12374.10   769.617  12525.94   775.046  150.400 4.7245  151.319 4.7289  -0.9185181     6.684587  
1 1 1 -9  78  8  o 50.027  3.6872  1371.41    198.382  1340.80    288.926  1398.72    272.872  49.104  5.5287  50.265  5.0820  -1.160900      7.509491  
1 1 1 -9  78  9  o 43.546  3.9525  1043.34    184.389  1018.00    263.484  1067.66    258.130  42.610  5.8646  43.722  5.5780  -1.112270      8.093707  
1 1 1 -9  78  10 o 108.270 3.0557  6380.58    358.335  6121.09    507.589  6638.39    505.940  105.751 4.4316  110.178 4.2397  -4.427284      6.132988  
1 1 1 -9  78  11 o 21.824  1.8921  260.394    44.281   297.608    288.390  259.495    44.813   24.402  8.6776  21.783  1.9190  2.619257       8.887279  
1 1 1 -9  78  12 o 85.964  3.1164  4026.25    290.167  4255.44    419.155  3815.34    402.091  88.116  4.3919  83.301  4.4729  4.814331       6.268645  
1 1 1 -9  78  13 o 65.162  3.3449  2322.87    235.278  2433.95    333.964  2213.41    331.515  66.393  4.6740  63.244  4.8773  3.149300       6.755349  
1 1 1 -9  78  14 o 61.864  3.6172  2099.00    241.318  2146.01    357.866  2059.80    326.796  62.092  5.3742  60.937  4.9953  1.155907       7.337269  
1 1 1 -9  78  15 o 75.723  3.4133  3133.98    279.944  2965.83    427.619  3260.09    370.332  72.960  5.4507  76.858  4.4680  -3.898094      7.047874  
1 1 1 -9  78  16 o 104.541 3.2427  5975.31    367.169  5795.41    541.693  6128.21    499.392  102.339 4.8870  105.461 4.3720  -3.122086      6.557190  
1 1 1 -9  78  17 o 35.301  1.9331  679.688    73.631   1157.35    357.558  658.535    75.243   44.253  7.7418  34.736  2.0085  9.517017       7.998129  
1 1 1 -9  78  18 o 19.857  7.5461  179.291    224.125  236.906    342.404  136.100    296.458  23.375  9.2050  20.618  8.4097  2.756886       12.46814  
1 1 1 -9  78  19 o 55.858  4.5156  1752.48    270.857  2047.66    404.988  1513.60    364.330  59.385  6.3974  50.755  6.7983  8.630272       9.335044  
1 1 1 -9  78  20 o 74.770  3.8644  3110.39    311.884  2853.36    467.008  3317.32    419.025  70.149  6.2108  76.489  5.0869  -6.340752      8.028113  
1 1 1 -9  78  21 o 66.513  4.0757  2477.52    292.201  2232.46    430.472  2686.92    397.914  61.547  6.5586  68.435  5.4125  -6.888012      8.503579  
1 1 1 -9  78  22 o 18.908  7.7604  120.895    254.424  -406.6840  421.954  422.278    318.920  17.082  8.1552  26.131  9.1404  -9.048477      12.24966  
1 1 1 -9  78  23 o 35.843  7.2730  798.799    272.699  643.270    404.098  928.856    369.528  30.622  10.302  37.363  9.1939  -6.741674      13.80810  
1 1 1 -9  78  24 o 43.320  6.6205  1137.21    300.776  753.651    473.936  1395.86    389.197  32.363  11.153  47.069  7.9151  -14.70580      13.67583  
1 1 1 -9  79  1  o 65.524  3.0858  2334.28    218.998  2120.22    308.134  2552.78    311.310  62.129  4.6119  68.275  4.2306  -6.145641      6.258440  
1 1 1 -9  79  2  o 26.957  7.1442  416.176    211.951  681.568    302.925  161.648    296.660  34.326  8.2501  21.818  8.5756  12.50763       11.89982  
1 1 1 -9  79  3  o 79.649  4.0356  3467.88    347.009  3066.82    479.536  3908.76    502.778  74.460  5.9969  84.237  5.5416  -9.777573      8.165293  
1 1 1 -9  79  4  o 56.877  4.5712  1778.71    279.228  1530.53    425.617  1966.25    369.978  51.958  7.8043  59.556  5.8096  -7.597767      9.729257  
1 1 1 -9  79  5  o 23.218  6.8079  303.411    182.304  410.770    281.432  225.794    239.296  27.196  8.5618  21.866  7.8902  5.330647       11.64307  
1 1 1 -9  79  6  o 81.361  3.0721  3600.51    270.722  3537.46    390.721  3658.73    375.454  80.322  4.5094  81.746  4.2552  -1.423828      6.200149  
1 1 1 -9  79  7  o 37.159  4.4155  765.081    174.229  659.128    251.410  862.985    241.671  33.881  7.0793  39.184  5.8756  -5.303024      9.199914  
1 1 1 -9  79  8  o 57.573  3.4305  1812.01    212.949  1865.86    308.751  1763.16    294.093  58.136  4.9505  56.523  4.8508  1.612179       6.930951  
1 1 1 -9  79  9  o 42.123  4.2519  979.825    191.334  782.337    285.781  1140.26    257.584  36.851  7.4168  45.235  5.3618  -8.384155      9.151894  
1 1 1 -9  79  10 o 98.599  3.0821  5293.42    329.143  5110.96    473.859  5463.51    457.528  96.584  4.5298  99.934  4.2270  -3.350311      6.195674  
1 1 1 -9  79  11 o 78.183  2.7496  3325.50    232.833  3154.39    409.558  3407.20    283.017  75.580  5.0319  79.057  3.3052  -3.477097      6.020325  
1 1 1 -9  79  12 o 61.315  3.5001  2058.93    231.477  2182.49    319.405  1922.25    335.937  62.852  4.7266  58.802  5.3327  4.050175       7.125870  
1 1 1 -9  79  13 o 99.235  3.1115  5368.95    334.425  5228.84    480.625  5500.45    465.629  97.560  4.5485  100.139 4.2930  -2.579605      6.254503  
1 1 1 -9  79  14 o 160.575 3.5045  14092.61   609.509  13676.00   865.262  14502.95   858.727  157.396 5.0756  162.196 4.8881  -4.800568      7.046658  
1 1 1 -9  79  15 o 110.470 3.1876  6666.38    381.397  6988.70    558.750  6385.19    521.888  112.593 4.5818  107.666 4.4754  4.927658       6.404821  
1 1 1 -9  79  16 o 28.025  6.4867  459.885    193.005  631.897    291.552  325.700    257.508  32.451  8.2707  24.280  8.2237  8.171612       11.66336  
1 1 1 -9  79  17 o 27.912  7.8485  467.915    247.187  677.080    401.150  339.882    313.851  32.969  10.196  25.107  9.0393  7.862123       13.62632  
1 1 1 -9  79  18 o 75.928  3.6912  3183.85    303.555  3185.90    466.810  3182.34    399.572  74.695  5.8158  75.196  4.9334  -0.5005112     7.626420  
1 1 1 -9  79  19 o 62.622  2.6959  2147.80    182.854  1965.12    420.947  2190.29    203.008  57.841  6.8525  63.163  2.9674  -5.321972      7.467404  
1 1 1 -9  79  20 o 47.808  5.0835  1305.31    259.189  1250.21    379.581  1353.45    354.773  45.108  8.0652  47.582  7.1013  -2.473858      10.74600  
1 1 1 -9  79  21 o 28.187  8.0023  498.760    255.693  555.564    404.398  460.926    330.037  29.377  10.292  27.185  9.3096  2.191792       13.87763  
1 1 1 -9  79  22 o 29.709  7.8178  558.477    254.968  156.258    394.299  847.520    334.254  22.257  9.4348  36.212  8.6423  -13.95506      12.79470  
1 1 1 -9  79  23 o 71.587  4.3451  2901.76    335.309  2783.28    523.686  2984.09    436.522  67.548  7.2726  71.512  5.6826  -3.964424      9.229464  
1 1 1 -9  80  1  o 56.983  4.0605  1780.05    248.969  1609.54    353.111  1948.62    351.088  53.729  6.1804  59.339  5.5262  -5.610073      8.290756  
1 1 1 -9  80  2  o 60.483  4.4225  2008.72    287.708  1869.51    409.036  2145.05    404.759  57.830  6.6515  62.142  6.0921  -4.311291      9.019712  
1 1 1 -9  80  3  o 69.155  4.1773  2619.60    311.423  2529.65    460.875  2695.18    422.465  67.444  6.3851  69.832  5.6335  -2.387421      8.515060  
1 1 1 -9  80  4  o 16.415  6.3266  99.204     158.973  -50.8349   238.637  218.915    213.158  16.193  7.1008  21.133  7.4662  -4.940550      10.30369  
1 1 1 -9  80  5  o 110.971 3.1867  6700.93    383.014  7211.65    555.135  6236.94    529.129  114.859 4.4624  106.790 4.5747  8.069107       6.390646  
1 1 1 -9  80  6  o 43.806  4.3328  1058.69    202.880  1356.75    288.686  767.828    285.178  49.400  5.4882  36.537  7.4587  12.86367       9.260261  
1 1 1 -9  80  7  o 38.282  4.3544  811.378    177.337  898.547    259.347  734.832    243.031  39.899  6.2027  35.934  6.4829  3.965694       8.972297  
1 1 1 -9  80  8  o 75.994  3.1485  3144.20    259.154  3348.26    373.304  2954.38    360.052  78.096  4.4316  73.314  4.5568  4.781502       6.356374  
1 1 1 -9  80  9  o 83.543  3.1104  3800.44    281.448  4113.52    394.245  3475.05    401.920  86.723  4.1972  79.479  4.6897  7.243988       6.293637  
1 1 1 -9  80  10 o 79.095  3.0982  3407.49    265.414  3293.51    378.491  3517.76    372.291  77.381  4.5358  80.039  4.3104  -2.658096      6.257229  
1 1 1 -9  80  11 o 93.314  3.1589  4745.92    319.263  4777.99    469.316  4718.30    435.582  93.283  4.6451  92.781  4.3345  0.5022278      6.353315  
1 1 1 -9  80  12 o 71.018  3.3257  2751.86    255.811  2532.99    372.367  2947.48    352.033  67.606  5.1233  73.149  4.4646  -5.542999      6.795717  
1 1 1 -9  80  13 o 75.246  3.2740  3089.90    266.829  3063.75    370.688  3118.02    384.392  74.509  4.6161  75.128  4.7484  -0.6190643     6.622320  
1 1 1 -9  80  14 f 54.180  3.9685  1618.29    231.261  1768.77    347.761  1498.98    309.651  56.112  5.8061  51.671  5.6238  4.441490       8.083141  
1 1 1 -9  80  15 o 38.358  5.1621  830.015    209.015  771.206    321.474  873.080    275.099  35.912  8.4124  38.829  6.7884  -2.917461      10.80971  
1 1 1 -9  80  16 o 18.168  7.0061  134.358    195.043  145.833    322.619  127.749    244.857  21.569  8.7824  19.339  7.7299  2.230854       11.69967  
1 1 1 -9  80  17 o 36.598  6.1465  779.868    235.004  540.552    367.116  946.017    305.891  29.763  9.8145  39.846  7.3589  -10.08259      12.26694  
1 1 1 -9  80  18 o 18.977  7.5678  132.904    234.152  -96.1081   407.060  246.153    286.251  19.959  8.9798  22.469  8.5306  -2.510509      12.38582  
1 1 1 -9  80  19 o 31.239  7.4366  595.700    247.990  466.745    396.804  678.349    317.671  28.050  10.154  32.810  8.7705  -4.760057      13.41773  
1 1 1 -9  80  20 o 83.567  3.7607  3877.11    340.390  3427.34    512.002  4233.36    455.676  76.761  6.2115  86.476  4.8851  -9.714859      7.902340  
1 1 1 -9  80  21 o 47.082  5.3440  1281.30    267.687  1397.88    404.673  1190.60    356.938  47.338  8.1890  43.886  7.7947  3.452110       11.30564  
1 1 1 -9  80  22 o 20.073  7.8397  189.522    246.626  496.684    379.952  -34.1241   324.209  27.794  9.9522  18.157  8.1028  9.637136       12.83363  
1 1 1 -9  80  23 o 36.082  7.3649  811.015    278.083  1085.24    449.809  641.364    353.795  39.503  10.378  30.856  9.5811  8.646362       14.12474  
1 1 1 -9  81  1  o 145.440 4.5883  11568.88   722.773  11690.17   1032.90  11452.51   1011.74  145.459 6.5561  144.003 6.4868  1.456146       9.222825  
1 1 1 -9  81  2  o 95.298  4.0686  4956.67    419.945  4601.58    606.825  5283.03    581.752  91.161  6.1824  97.921  5.5075  -6.760254      8.279839  
1 1 1 -9  81  3  o 121.096 3.1732  7979.67    416.194  7641.03    588.782  8317.85    588.394  118.188 4.5995  123.362 4.4037  -5.174789      6.367723  
1 1 1 -9  81  4  o 53.382  3.6137  1560.02    207.711  1551.62    282.354  1569.92    306.641  52.984  4.9786  53.205  5.3958  -0.2214928     7.341728  
1 1 1 -9  81  5  o 33.453  5.2071  628.244    182.534  646.894    269.263  612.386    248.294  33.445  7.6051  32.594  7.2232  0.8510971      10.48871  
1 1 1 -9  81  6  o 66.725  3.4200  2432.05    246.336  2678.15    347.634  2183.85    349.113  69.787  4.6254  62.862  5.1735  6.924999       6.939698  
1 1 1 -9  81  7  o 10.718  5.0956  -200.4452  161.214  -388.4771  222.619  6.9008     233.773  11.490  5.5920  16.962  7.2299  -5.472219      9.140099  
1 1 1 -9  81  8  o 113.606 3.0749  7026.77    378.364  7071.76    548.895  6986.05    522.271  113.637 4.4596  112.999 4.2673  0.6378250      6.172338  
1 1 1 -9  81  9  o 127.388 3.1775  8841.11    438.419  8841.37    628.439  8840.85    611.927  126.985 4.5692  127.022 4.4478  -0.3723907E-01 6.376595  
1 1 1 -9  81  10 o 65.134  3.4070  2320.64    239.522  2239.28    352.625  2390.33    326.366  63.568  5.1663  65.840  4.6056  -2.272522      6.921142  
1 1 1 -9  81  11 o 20.851  6.7905  235.867    175.943  234.307    261.512  237.158    237.814  22.373  8.2215  21.975  7.8730  0.3985729      11.38319  
1 1 1 -9  81  12 o 60.712  3.4508  2019.11    225.980  1964.11    321.852  2072.58    317.362  59.494  5.0422  61.185  4.8282  -1.691261      6.981031  
1 1 1 -9  81  13 o 68.439  3.4099  2559.49    252.767  2657.68    370.417  2473.93    345.785  69.223  4.9737  66.827  4.8095  2.396210       6.918714  
1 1 1 -9  81  14 o 156.307 3.4799  13372.03   589.139  13578.57   834.000  13166.32   832.338  156.691 4.9142  154.250 4.9820  2.441513       6.997834  
1 1 1 -9  81  15 o 122.776 3.2015  8250.97    425.732  8253.92    608.827  8248.16    595.544  122.108 4.6034  122.123 4.5024  -0.1493835E-01 6.439198  
1 1 1 -9  81  16 o 18.142  6.5449  163.107    164.636  74.921     267.048  217.174    209.101  18.847  7.8623  20.570  7.3811  -1.723179      10.78406  
1 1 1 -9  81  17 o 21.940  7.7362  260.937    228.745  335.611    377.905  217.757    287.368  25.642  9.7857  21.941  8.4920  3.700985       12.95665  
1 1 1 -9  81  18 o 76.487  3.6403  3232.17    301.573  3312.64    452.589  3167.91    404.439  76.292  5.5143  74.914  5.0134  1.378716       7.452634  
1 1 1 -9  81  19 f 86.470  3.5041  4132.29    328.177  4638.35    488.201  3715.10    443.270  90.556  4.9968  80.959  5.0809  9.597069       7.126301  
1 1 1 -9  81  20 o 21.848  7.8526  263.698    236.756  716.749    349.896  -118.9129  321.546  33.182  9.3404  17.235  7.8444  15.94636       12.19744  
1 1 1 -9  81  21 f 34.334  7.0939  723.021    255.077  649.549    389.104  778.389    337.781  31.164  10.095  34.574  8.9503  -3.410091      13.49140  
1 1 1 -9  81  22 o 23.994  8.3142  348.054    263.571  139.299    437.229  467.217    330.340  22.705  9.7864  27.062  9.3118  -4.356974      13.50861  
1 1 1 -9  82  1  o 51.320  3.9538  1445.77    218.079  1762.09    293.388  1055.21    326.005  56.511  4.8400  43.035  7.2519  13.47607       8.718708  
1 1 1 -9  82  2  o 74.589  3.0950  3027.48    250.036  2938.60    357.102  3112.97    350.207  73.150  4.5295  75.346  4.3093  -2.195717      6.251863  
1 1 1 -9  82  3  o 103.947 3.0139  5878.53    339.316  5747.36    473.549  6016.94    486.442  102.544 4.2637  104.918 4.2807  -2.373528      6.041792  
1 1 1 -9  82  4  o 78.745  3.1219  3375.09    266.261  3342.92    367.315  3410.72    386.518  78.064  4.3617  78.810  4.5474  -0.7464447     6.301105  
1 1 1 -9  82  5  o 92.874  3.0553  4694.40    307.335  4714.55    437.849  4674.84    431.496  92.837  4.3544  92.455  4.3090  0.3822021      6.126069  
1 1 1 -9  82  6  o 47.093  4.1554  1221.52    209.779  1621.71    322.620  928.376    276.123  53.987  5.5988  40.461  6.5226  13.52636       8.595962  
1 1 1 -9  82  7  o 147.052 3.3690  11785.95   536.594  11942.13   764.166  11634.05   753.660  147.546 4.7818  145.631 4.7780  1.914139       6.759832  
1 1 1 -9  82  8  o 150.014 3.3951  12271.16   551.642  12226.96   779.890  12315.40   780.390  149.224 4.8253  149.769 4.8108  -0.5448456     6.813766  
1 1 1 -9  82  9  o 120.475 3.1844  7910.45    415.522  7939.44    595.370  7882.93    580.196  120.292 4.5696  119.897 4.4678  0.3945160      6.390839  
1 1 1 -9  82  10 o 101.829 3.1338  5651.58    345.625  5393.04    490.771  5905.99    486.830  99.115  4.5716  103.794 4.3305  -4.678665      6.297047  
1 1 1 -9  82  11 o 35.799  5.7114  725.885    214.012  734.405    336.454  720.095    277.353  35.230  8.8337  35.173  7.5088  0.5671310E-01  11.59384  
1 1 1 -9  82  12 o 38.207  5.0296  818.604    203.079  914.568    314.830  750.223    265.760  39.648  7.6081  35.981  7.0716  3.666702       10.38708  
1 1 1 -9  82  13 o 83.355  3.1568  3794.26    285.002  3592.88    405.505  3990.85    400.647  80.591  4.6655  85.061  4.3634  -4.469597      6.388007  
1 1 1 -9  82  14 o 104.775 3.2144  6005.44    364.777  6103.19    530.176  5917.57    502.668  105.044 4.6599  103.515 4.4834  1.529182       6.466544  
1 1 1 -9  82  15 o 11.924  5.6019  -180.7591  184.398  -240.3634  251.876  -111.9151  270.695  13.907  6.5379  16.115  7.2799  -2.208497      9.784754  
1 1 1 -9  82  16 o 50.513  2.3557  1392.20    128.879  1303.59    387.063  1403.25    136.678  46.612  7.9521  50.691  2.4894  -4.078888      8.332701  
1 1 1 -9  82  17 o 19.860  7.4625  187.310    217.725  298.363    335.077  106.160    286.434  24.316  9.2301  19.777  8.1874  4.539360       12.33806  
1 1 1 -9  82  18 o 50.311  4.9035  1434.66    263.804  1417.19    426.498  1445.48    335.733  47.982  8.5188  49.763  6.3755  -1.781738      10.64036  
1 1 1 -9  82  19 o 45.817  5.1235  1200.94    249.894  1112.52    381.466  1267.41    330.744  42.118  8.6516  46.181  6.8173  -4.062820      11.01480  
1 1 1 -9  82  20 o 21.558  1.9745  255.636    45.592   634.237    372.448  249.877    45.937   31.061  9.8574  21.305  2.0146  9.755871       10.06113  
1 1 1 -9  82  21 o 18.473  7.7071  95.721     256.647  -85.9834   430.651  195.798    319.602  20.077  9.1147  21.582  8.7587  -1.504765      12.64090  
1 1 1 -9  82  22 o 41.720  6.0825  1033.39    266.764  999.425    406.603  1059.05    353.474  38.517  9.7404  40.804  8.2811  -2.287132      12.78478  
1 1 1 -9  83  1  o 89.538  3.0390  4362.81    294.717  4257.81    426.298  4458.95    407.897  88.092  4.4827  90.325  4.1694  -2.233360      6.121984  
1 1 1 -9  83  2  o 47.778  3.7362  1252.79    191.803  1070.33    277.604  1419.44    265.314  43.650  6.0331  50.648  4.8976  -6.998447      7.770786  
1 1 1 -9  83  3  o 37.727  4.4762  789.631    179.340  856.626    261.264  729.936    246.619  38.863  6.4319  35.765  6.6100  3.098152       9.222872  
1 1 1 -9  83  4  o 63.352  3.3476  2192.79    228.885  2171.03    312.968  2217.81    335.599  62.785  4.6351  63.393  4.9264  -0.6085777     6.764165  
1 1 1 -9  83  5  o 56.630  3.6552  1756.73    222.996  1572.57    328.939  1913.34    303.343  53.091  5.8155  58.875  4.7987  -5.784760      7.539766  
1 1 1 -9  83  6  o 50.344  3.8797  1392.49    209.919  1357.78    307.571  1422.76    287.213  49.254  5.8819  50.578  5.3228  -1.324570      7.932737  
1 1 1 -9  83  7  o 109.639 3.0595  6546.58    363.316  6718.13    515.666  6377.48    511.966  110.765 4.2983  107.897 4.3809  2.867805       6.137394  
1 1 1 -9  83  8  o 32.447  5.4887  595.996    186.012  552.416    279.313  630.727    249.350  30.753  8.2254  32.997  7.1808  -2.244411      10.91886  
1 1 1 -9  83  9  f 116.137 3.1265  7350.75    393.280  7265.50    558.316  7434.70    554.072  115.080 4.4793  116.441 4.3933  -1.360786      6.274154  
1 1 1 -9  83  10 o 129.967 3.2904  9214.53    463.175  9340.81    659.513  9091.64    650.634  130.374 4.6705  128.624 4.6703  1.750580       6.604938  
1 1 1 -9  83  11 f 69.515  3.4602  2640.05    260.526  2608.41    381.497  2667.70    356.636  68.544  5.1769  69.450  4.7701  -0.9059296     7.039419  
1 1 1 -9  83  12 o 37.474  5.1530  790.398    203.619  571.283    290.076  1003.24    285.891  31.062  8.4139  41.882  6.5141  -10.81960      10.64081  
1 1 1 -9  83  13 o 16.854  6.7668  84.650     188.557  192.304    268.057  -20.7864   265.283  21.381  8.2222  17.362  7.5529  4.018793       11.16472  
1 1 1 -9  83  14 o 57.394  3.9304  1822.10    242.855  1626.03    348.163  2007.90    338.922  53.402  6.1306  59.769  5.2901  -6.367443      8.097477  
1 1 1 -9  83  15 o 50.091  4.3499  1401.57    233.656  1271.51    365.565  1491.41    303.817  46.317  7.5471  51.200  5.5684  -4.883106      9.379014  
1 1 1 -9  83  16 o 51.224  2.4121  1432.53    133.827  1613.00    375.544  1406.28    143.230  52.584  6.7496  50.650  2.6198  1.933735       7.240200  
1 1 1 -9  83  17 o 85.183  3.4821  4001.16    321.264  4248.33    478.856  3798.85    433.233  86.747  5.1193  82.162  4.8905  4.584816       7.079830  
1 1 1 -9  83  18 o 68.129  3.8777  2582.97    284.952  2752.11    430.499  2451.08    380.148  69.212  5.7961  65.542  5.4032  3.670738       7.923997  
1 1 1 -9  83  19 o 53.489  4.7406  1622.91    271.794  1407.81    437.039  1758.57    347.076  47.261  8.8635  55.024  5.9168  -7.762947      10.65691  
1 1 1 -9  83  20 o 39.593  6.3445  932.816    262.886  1287.21    451.756  751.360    323.256  44.261  9.6920  34.175  8.7081  10.08661       13.02942  
1 1 1 -9  83  21 o 42.809  5.7979  1076.40    261.912  824.545    389.482  1284.31    353.873  34.960  9.8594  45.786  7.3872  -10.82615      12.31981  
1 1 1 -9  84  1  o 64.757  3.2862  2290.37    229.735  2467.60    339.791  2141.13    311.800  66.930  4.7175  62.338  4.6515  4.591766       6.625062  
1 1 1 -9  84  2  o 38.191  4.3674  808.332    177.409  645.677    259.348  951.380    243.216  33.410  7.3653  41.199  5.5953  -7.789215      9.249590  
1 1 1 -9  84  3  o 52.519  3.6156  1511.73    204.414  1579.30    294.812  1449.17    283.679  53.363  5.1654  51.089  5.1991  2.274315       7.328850  
1 1 1 -9  84  4  o 12.355  5.6526  -112.4262  169.785  -49.0189   238.234  -177.8735  242.036  16.157  7.0898  14.464  6.6660  1.693126       9.731423  
1 1 1 -9  84  5  o 25.199  6.5783  365.555    181.469  304.522    278.284  410.710    239.362  24.387  8.5378  26.765  7.7874  -2.378170      11.55587  
1 1 1 -9  84  6  o 65.470  3.4205  2344.08    241.710  2133.43    349.958  2536.24    334.242  62.032  5.2582  67.854  4.5746  -5.821621      6.969625  
1 1 1 -9  84  7  o 56.230  2.4236  1718.56    147.601  1934.59    311.844  1656.19    167.559  59.129  4.9138  55.093  2.8174  4.035412       5.664244  
1 1 1 -9  84  8  o 102.108 3.0849  5680.88    341.176  5728.50    490.227  5636.14    475.119  102.206 4.4285  101.407 4.3258  0.7982101      6.190594  
1 1 1 -9  84  9  o 102.594 3.1725  5738.70    352.526  5598.65    502.397  5874.55    494.785  100.963 4.5943  103.476 4.4148  -2.513329      6.371615  
1 1 1 -9  84  10 o 61.199  3.6048  2054.39    237.888  2040.25    341.147  2067.76    331.893  60.560  5.2531  61.025  5.0672  -0.4655380     7.298707  
1 1 1 -9  84  11 o 50.276  4.3609  1399.50    235.113  1149.13    364.546  1577.83    307.649  44.413  7.8662  53.101  5.4253  -8.688255      9.555656  
1 1 1 -9  84  12 o 27.225  6.9255  434.298    204.700  238.972    307.683  589.406    274.182  23.200  8.8356  31.502  8.0160  -8.302109      11.92997  
1 1 1 -9  84  13 o 48.641  4.6153  1320.77    240.238  1597.36    344.602  1059.22    335.094  52.971  6.1189  42.439  7.5676  10.53268       9.731876  
1 1 1 -9  84  14 o 29.759  6.6078  522.854    207.435  469.860    297.979  572.682    288.943  28.037  8.8073  30.686  8.4331  -2.649343      12.19368  
1 1 1 -9  84  15 f 46.083  4.6500  1194.60    228.919  1120.06    330.682  1263.19    317.217  43.477  7.2796  46.633  6.4534  -3.155918      9.728268  
1 1 1 -9  84  16 f 36.087  6.4859  766.291    244.188  1090.37    355.731  477.506    335.799  42.416  8.0373  28.143  9.3917  14.27352       12.36135  
1 1 1 -9  84  17 o 23.768  8.0645  326.194    247.635  -65.8164   405.464  559.409    312.739  20.189  9.0318  29.909  8.9541  -9.719360      12.71808  
1 1 1 -9  84  18 o 13.041  6.1334  -204.5037  222.030  -187.9725  334.355  -217.5435  296.956  16.909  7.8075  15.479  7.2189  1.430062       10.63338  
1 1 1 -9  84  19 o 44.952  5.5325  1170.47    263.680  1531.43    404.764  904.353    347.542  50.099  7.7063  37.703  8.6891  12.39644       11.61408  
1 1 1 -9  84  20 o 36.952  6.4645  819.204    249.303  1215.89    395.978  558.710    320.883  43.672  8.6772  29.348  9.1265  14.32361       12.59318  
1 1 1 -9  84  21 o 29.747  7.7168  557.467    250.750  835.554    375.482  333.622    336.878  35.378  9.5684  24.394  9.2560  10.98386       13.31271  
1 1 1 -9  85  1  o 28.409  5.7313  460.807    170.268  508.241    265.833  427.810    221.717  29.581  8.0721  27.213  7.3495  2.367558       10.91671  
1 1 1 -9  85  2  o 36.478  1.7970  722.001    70.999   729.026    74.339   649.043    239.570  36.604  1.8814  33.590  6.8178  3.013653       7.072662  
1 1 1 -9  85  3  o 17.032  6.3899  122.038    159.518  128.406    236.447  116.718    216.109  19.428  7.6497  18.586  7.3149  0.8413792      10.58419  
1 1 1 -9  85  4  o 76.327  2.6922  3168.85    222.562  3130.33    280.150  3234.75    366.451  75.761  3.4141  76.707  4.4296  -0.9463654     5.592587  
1 1 1 -9  85  5  o 16.598  6.7133  70.655     187.068  62.599     270.126  78.078     259.313  19.094  7.9315  19.057  7.8295  0.3664780E-01  11.14499  
1 1 1 -9  85  6  o 47.459  4.2307  1242.92    215.190  1317.17    330.674  1188.38    283.413  48.286  6.4868  46.017  5.8163  2.269890       8.712494  
1 1 1 -9  85  7  o 75.215  3.2889  3085.03    267.933  2856.74    391.835  3285.52    367.193  71.868  5.0662  77.288  4.4047  -5.419128      6.713264  
1 1 1 -9  85  8  o 134.473 3.2517  9863.05    473.611  9457.98    669.683  10268.38   669.890  131.169 4.7138  136.754 4.5227  -5.584686      6.532522  
1 1 1 -9  85  9  o 42.172  4.4275  987.102    199.215  1090.08    288.325  893.028    275.573  43.845  6.2482  39.478  6.6833  4.367073       9.149118  
1 1 1 -9  85  10 o 57.751  3.8458  1835.06    239.184  1668.95    353.281  1975.63    324.999  54.411  6.0996  59.591  5.0840  -5.179840      7.940527  
1 1 1 -9  85  11 o 38.831  5.2120  849.859    213.676  594.627    295.499  1129.57    309.344  31.594  8.4647  44.387  6.6384  -12.79297      10.75728  
1 1 1 -9  85  12 o 53.839  3.9549  1602.82    229.007  1642.84    327.208  1564.41    320.622  53.930  5.6875  52.602  5.7198  1.328262       8.066170  
1 1 1 -9  85  13 o 88.016  3.2379  4246.73    308.672  4038.86    439.220  4449.58    433.885  85.104  4.7844  89.603  4.4708  -4.499069      6.548162  
1 1 1 -9  85  14 o 40.128  5.4082  919.540    229.069  884.374    349.570  946.004    303.250  37.932  8.6944  39.928  7.2805  -1.995323      11.34014  
1 1 1 -9  85  15 f 23.251  7.5533  312.341    217.739  399.063    336.578  249.927    285.539  26.475  9.3789  22.614  8.5357  3.861179       12.68157  
1 1 1 -9  85  16 o 25.564  8.0277  391.136    247.584  443.325    384.257  354.091    323.743  27.676  9.9967  25.277  9.1688  2.398680       13.56470  
1 1 1 -9  85  17 o 24.999  7.9640  374.624    242.935  602.984    371.130  203.420    321.347  30.795  9.8470  22.154  8.8553  8.640818       13.24314  
1 1 1 -9  85  18 o 13.583  2.5875  104.360    36.677   441.451    438.000  101.979    36.806   27.698  10.544  13.416  2.6269  14.28214       10.86586  
1 1 1 -9  85  19 o 27.996  7.8571  490.037    247.974  329.187    381.206  608.029    326.494  25.001  9.7515  30.656  9.1423  -5.655264      13.36692  
1 1 1 -9  85  20 o 33.571  7.1233  691.918    250.988  603.459    374.807  763.834    337.948  30.247  9.9140  34.248  8.9948  -4.000683      13.38639  
1 1 1 -9  86  1  o 69.651  3.2754  2644.49    247.094  2545.07    355.047  2737.86    344.097  67.898  4.8601  70.521  4.5289  -2.623222      6.643148  
1 1 1 -9  86  2  o 89.556  3.0596  4368.35    296.778  4319.14    423.164  4415.99    416.335  88.779  4.4008  89.798  4.2806  -1.018318      6.139251  
1 1 1 -9  86  3  o 42.543  4.1691  999.849    189.639  1010.11    275.192  990.574    261.697  42.276  6.1937  41.930  5.9277  0.3462372      8.573184  
1 1 1 -9  86  4  o 61.576  3.4560  2074.99    229.559  2007.31    332.703  2136.48    317.148  60.176  5.1544  62.202  4.7432  -2.026199      7.004670  
1 1 1 -9  86  5  o 76.370  3.2685  3179.95    270.358  2958.49    377.113  3414.14    387.798  73.234  4.7806  78.754  4.5660  -5.520020      6.610722  
1 1 1 -9  86  6  o 78.892  3.3086  3394.79    282.716  3257.74    417.420  3510.95    384.275  76.763  5.0487  79.879  4.4594  -3.115585      6.736139  
1 1 1 -9  86  7  o 49.089  3.9582  1327.35    208.661  1201.40    300.167  1445.14    290.265  46.125  6.1625  50.895  5.3455  -4.770332      8.157876  
1 1 1 -9  86  8  o 57.128  3.8121  1794.01    234.524  1857.00    335.697  1733.95    327.777  57.694  5.4362  55.713  5.5038  1.980816       7.735937  
1 1 1 -9  86  9  o 53.998  2.3138  1585.72    135.322  1731.11    312.477  1552.16    150.130  55.706  5.2406  53.394  2.5960  2.312016       5.848338  
1 1 1 -9  86  10 o 47.971  4.5671  1279.84    234.434  1012.37    365.650  1466.54    305.481  41.309  8.4571  51.055  5.6172  -9.745274      10.15260  
1 1 1 -9  86  11 o 33.079  5.8023  628.544    200.306  621.799    289.257  634.758    277.649  32.210  8.2538  32.616  7.9351  -0.4066772     11.44951  
1 1 1 -9  86  12 o 17.840  6.9061  126.763    190.078  168.292    273.849  88.155     264.041  20.872  8.2280  19.072  7.8754  1.799425       11.38952  
1 1 1 -9  86  13 o 61.664  3.8313  2105.11    254.622  2170.13    377.559  2050.87    344.841  61.812  5.7039  60.250  5.3397  1.562153       7.813214  
1 1 1 -9  86  14 o 80.253  3.3932  3541.56    294.944  3419.44    425.085  3654.93    409.575  77.991  5.0596  80.843  4.6978  -2.852699      6.904249  
1 1 1 -9  86  15 o 92.742  3.3783  4733.79    339.345  4800.43    499.728  4676.77    462.270  92.386  5.0129  91.399  4.6854  0.9863663      6.861617  
1 1 1 -9  86  16 o 20.561  7.7508  203.749    235.249  128.260    346.417  268.357    320.479  21.455  8.9530  23.430  8.9949  -1.974148      12.69111  
1 1 1 -9  86  17 o 57.801  4.5749  1883.32    284.069  2028.17    422.790  1764.11    383.540  58.675  6.7775  54.800  6.5942  3.874344       9.456123  
1 1 1 -9  86  18 o 56.946  2.8909  1787.24    177.723  2274.57    461.013  1702.17    192.610  61.816  7.0095  55.455  3.2207  6.361805       7.713982  
1 1 1 -9  86  19 o 20.486  7.9894  194.362    255.857  629.022    433.593  -37.8419   316.914  30.784  10.664  18.052  8.0368  12.73215       13.35329  
1 1 1 -9  86  20 o 16.697  7.2860  2.5634     248.520  -291.0222  407.464  176.473    313.605  17.683  8.3140  21.203  8.6489  -3.519997      11.99691  
1 1 1 -9  87  1  o 61.480  3.3998  2068.09    225.510  2364.61    317.417  1765.89    320.443  65.511  4.5008  56.366  5.3114  9.144993       6.961915  
1 1 1 -9  87  2  o 53.734  3.5679  1583.03    206.471  1421.92    298.042  1731.70    286.299  50.466  5.5440  55.951  4.7699  -5.485085      7.313581  
1 1 1 -9  87  3  o 91.939  3.0475  4604.96    303.466  4549.91    432.342  4658.43    426.059  91.099  4.3817  92.209  4.2661  -1.109306      6.115435  
1 1 1 -9  87  4  o 63.642  3.4021  2216.36    233.662  2439.65    339.245  2014.83    322.301  66.466  4.7435  60.310  4.9786  6.156464       6.876567  
1 1 1 -9  87  5  o 73.808  3.3071  2972.15    264.372  3006.98    368.684  2935.29    379.301  73.838  4.6335  72.891  4.8318  0.9464417      6.694441  
1 1 1 -9  87  6  o 113.335 3.1848  7006.46    390.948  6827.11    550.993  7188.30    554.794  111.455 4.5643  114.396 4.4776  -2.941780      6.393927  
1 1 1 -9  87  7  o 126.468 3.2373  8729.79    443.438  8677.73    623.003  8783.24    631.311  125.602 4.5796  126.349 4.6132  -0.7468109     6.500317  
1 1 1 -9  87  8  o 78.028  3.2381  3324.99    273.656  3019.12    397.924  3599.45    376.944  73.764  5.0104  80.810  4.3223  -7.046638      6.617105  
1 1 1 -9  87  9  o 74.664  3.4518  3050.99    279.149  2801.52    424.636  3240.85    370.442  70.748  5.5870  76.553  4.4874  -5.804443      7.165985  
1 1 1 -9  87  10 o 22.083  7.0945  273.548    192.472  150.986    277.567  387.064    267.126  20.714  8.2461  25.971  8.3593  -5.257235      11.74211  
1 1 1 -9  87  11 f 41.452  4.9823  968.696    219.205  949.951    330.038  983.494    293.224  39.927  7.9114  41.097  6.8270  -1.170052      10.44979  
1 1 1 -9  87  12 o 39.242  5.3071  876.760    219.780  797.621    330.185  939.716    294.499  36.126  8.5682  39.951  7.0643  -3.824978      11.10486  
1 1 1 -9  87  13 o 52.661  4.1025  1543.26    232.153  1729.75    333.300  1367.54    323.544  55.127  5.6626  48.681  6.2829  6.445908       8.458113  
1 1 1 -9  87  14 o 15.445  6.7121  -10.7493   209.094  -42.0321   327.386  10.802     271.737  18.643  8.2405  17.827  7.6994  0.8161964      11.27773  
1 1 1 -9  87  15 o 34.738  6.7470  717.089    244.705  867.133    358.310  585.937    334.995  37.188  8.9942  30.606  9.2908  6.581352       12.93117  
1 1 1 -9  87  16 o 23.151  8.0643  303.170    248.124  293.015    352.941  313.094    348.894  24.317  9.4113  24.636  9.4025  -0.3196926     13.30333  
1 1 1 -9  87  17 o 17.632  7.5885  27.880     262.079  -186.0587  452.943  135.554    321.333  19.897  9.1509  20.876  8.6595  -0.9787540     12.59862  
1 1 1 -9  87  18 o 64.475  4.4004  2342.21    305.460  2509.24    477.608  2226.60    397.353  64.981  6.8911  61.838  6.0086  3.143570       9.142776  
1 1 1 -9  87  19 f 27.092  8.0685  459.668    254.429  398.151    403.194  500.374    327.976  26.402  10.100  28.058  9.2778  -1.656122      13.71464  
1 1 1 -9  88  1  o 132.055 3.2864  9513.71    470.051  9761.87    662.376  9261.96    667.154  133.303 4.5877  129.780 4.7462  3.522858       6.601022  
1 1 1 -9  88  2  o 94.691  2.9536  4884.96    302.919  5085.25    418.615  4664.80    438.889  96.370  4.0105  92.199  4.3950  4.171349       5.949804  
1 1 1 -9  88  3  o 102.229 3.0833  5697.28    341.393  5312.82    485.114  6074.49    480.524  98.336  4.5547  105.257 4.2149  -6.921165      6.205727  
1 1 1 -9  88  4  o 77.533  3.1637  3278.88    265.676  3268.04    375.484  3289.75    375.962  76.992  4.5226  77.251  4.5129  -0.2590332     6.389071  
1 1 1 -9  88  5  o 46.489  4.2760  1195.82    212.892  1115.98    294.021  1283.81    308.662  44.348  6.2981  47.677  6.1185  -3.328773      8.780798  
1 1 1 -9  88  6  o 76.541  3.3003  3199.56    273.598  2959.96    381.466  3453.39    392.628  73.115  4.8445  79.079  4.6040  -5.963867      6.683252  
1 1 1 -9  88  7  o 103.407 3.1903  5839.82    357.320  5918.72    508.099  5762.62    502.599  103.665 4.5253  102.284 4.5367  1.380516       6.407829  
1 1 1 -9  88  8  o 80.755  3.0632  3561.88    267.929  3587.87    395.018  3539.73    364.622  80.518  4.5481  80.094  4.2180  0.4237747      6.202963  
1 1 1 -9  88  9  o 30.121  6.0711  525.971    191.225  583.305    285.293  479.198    257.677  31.204  8.2977  28.417  8.0213  2.786741       11.54095  
1 1 1 -9  88  10 o 52.122  4.1680  1508.58    233.330  1264.03    323.553  1773.57    336.802  46.820  6.5605  56.000  5.6291  -9.179710      8.644492  
1 1 1 -9  88  11 o 73.731  3.3946  2985.21    271.084  3030.64    387.557  2941.68    379.317  73.599  4.8896  72.521  4.8572  1.077591       6.892077  
1 1 1 -9  88  12 o 71.874  3.5398  2842.12    275.562  2634.37    384.734  3060.96    394.871  68.386  5.2340  73.883  4.9633  -5.496140      7.213094  
1 1 1 -9  88  13 o 33.677  5.9584  659.685    209.384  732.085    302.139  592.786    290.435  34.627  8.1853  31.088  8.4183  3.538977       11.74165  
1 1 1 -9  88  14 o 39.891  5.5313  914.319    232.554  944.371    358.370  892.458    305.649  39.054  8.6955  38.481  7.6030  0.5732079      11.55068  
1 1 1 -9  88  15 o 29.746  7.7230  541.733    251.016  426.135    388.318  624.708    328.992  27.311  10.021  31.500  9.1196  -4.188778      13.54949  
1 1 1 -9  88  16 o 66.482  4.2184  2473.41    302.181  2410.28    456.174  2522.77    403.377  64.115  6.6664  66.296  5.6722  -2.180840      8.753034  
1 1 1 -9  88  17 o 29.365  8.0017  538.185    261.431  631.055    414.269  476.724    337.014  31.110  10.431  27.719  9.4079  3.390764       14.04706  
1 1 1 -9  88  18 o 20.135  8.0917  161.192    269.896  416.613    469.591  35.197     329.813  27.383  10.781  19.416  8.4340  7.966450       13.68795  
1 1 1 -9  88  19 o 16.256  7.1404  -15.0814   242.204  95.772     384.428  -88.0482   311.891  21.405  9.2010  17.292  7.8126  4.112646       12.07042  
1 1 1 -9  89  1  o 48.078  4.0595  1275.82    209.417  1447.16    304.598  1122.23    288.388  50.809  5.6296  44.518  6.1448  6.291466       8.333765  
1 1 1 -9  89  2  o 42.650  4.1709  1007.05    190.206  951.187    256.193  1075.67    283.923  40.979  5.9457  43.549  6.1939  -2.570232      8.585787  
1 1 1 -9  89  3  o 81.285  3.1153  3604.66    274.269  3385.47    391.093  3816.79    384.734  78.296  4.6324  83.265  4.2805  -4.969116      6.307295  
1 1 1 -9  89  4  o 78.107  3.1766  3330.08    268.734  3259.56    381.633  3399.44    378.482  76.811  4.6085  78.492  4.4704  -1.681335      6.420544  
1 1 1 -9  89  5  o 25.552  7.0436  379.670    201.210  362.280    291.935  395.406    277.705  25.749  8.7561  26.421  8.5253  -0.6719532     12.22084  
1 1 1 -9  89  6  o 73.045  3.4496  2919.70    272.916  3293.25    390.546  2563.19    381.535  77.102  4.6991  67.797  5.2364  9.304756       7.035738  
1 1 1 -9  89  7  o 78.944  3.3592  3410.97    287.224  3288.31    410.694  3528.40    401.843  76.889  4.9580  79.773  4.6712  -2.884476      6.811904  
1 1 1 -9  89  8  o 22.398  6.8181  287.625    180.227  465.858    263.838  131.701    246.775  28.032  8.1816  19.532  7.7754  8.500502       11.28691  
1 1 1 -9  89  9  o 57.013  3.7408  1795.16    229.718  1804.33    336.428  1787.16    314.427  56.505  5.5696  56.379  5.2080  0.1254578      7.625163  
1 1 1 -9  89  10 f 69.813  3.6506  2688.68    275.081  2548.05    394.116  2822.27    384.124  67.202  5.4619  70.957  5.0307  -3.755692      7.425680  
1 1 1 -9  89  11 f 89.410  3.2622  4386.73    315.909  4265.34    449.284  4505.44    444.284  87.400  4.7641  89.937  4.5760  -2.536842      6.605786  
1 1 1 -9  89  12 o 24.285  7.1633  348.409    201.304  566.089    292.623  152.839    277.364  30.410  8.5353  20.525  8.2189  9.885727       11.84911  
1 1 1 -9  89  13 o 53.077  4.2858  1574.18    244.284  1883.33    367.723  1329.97    326.823  57.272  6.0180  47.818  6.4771  9.454540       8.841309  
1 1 1 -9  89  14 o 49.882  4.4442  1396.90    237.592  1477.31    348.096  1326.76    325.094  50.317  6.5421  47.691  6.4599  2.625713       9.193973  
1 1 1 -9  89  15 o 50.427  4.9090  1441.93    264.719  1413.67    387.163  1466.75    362.766  48.462  7.6281  49.812  6.9100  -1.350086      10.29250  
1 1 1 -9  89  16 o 44.675  5.5219  1151.64    261.508  1174.22    385.322  1132.35    356.064  43.417  8.4982  42.965  7.9440  0.4517517      11.63304  
1 1 1 -9  89  17 o 20.318  7.9794  182.272    256.636  249.799    408.315  138.177    329.955  24.149  9.8618  21.016  8.7509  3.132652       13.18458  
1 1 1 -9  89  18 o 29.431  8.3697  548.189    279.470  649.543    482.306  496.957    342.903  31.331  11.213  28.072  9.4899  3.259705       14.69017  
1 1 1 -9  90  1  o 29.567  6.0704  504.577    187.890  403.592    275.147  592.812    257.193  26.596  8.4759  31.729  7.5866  -5.132299      11.37530  
1 1 1 -9  90  2  o 21.105  6.6977  247.917    171.948  418.495    233.815  47.017     253.748  26.780  7.6694  18.186  7.6309  8.593857       10.81895  
1 1 1 -9  90  3  o 64.245  3.3647  2263.09    233.312  2315.10    335.483  2214.38    324.690  64.564  4.8325  63.153  4.7823  1.411175       6.798775  
1 1 1 -9  90  4  o 109.554 3.1218  6556.41    370.423  6633.19    526.523  6481.17    521.232  109.714 4.4308  108.447 4.4376  1.267403       6.270911  
1 1 1 -9  90  5  o 114.379 3.2225  7153.59    399.219  7301.23    568.808  7010.26    560.446  114.997 4.5668  112.670 4.5926  2.326927       6.476642  
1 1 1 -9  90  6  o 107.593 3.2317  6333.84    376.607  6436.93    535.759  6233.13    529.502  107.909 4.5840  106.177 4.6043  1.731560       6.497127  
1 1 1 -9  90  7  o 30.581  5.9127  541.221    188.760  528.179    275.994  552.682    258.736  29.691  8.2737  30.414  7.8130  -0.7223816     11.37969  
1 1 1 -9  90  8  o 82.401  3.2869  3722.41    293.350  3454.00    425.088  3966.46    405.336  78.594  5.0199  84.526  4.4430  -5.931969      6.703701  
1 1 1 -9  90  9  o 67.545  3.5439  2514.45    258.359  2671.36    389.101  2390.72    345.520  68.924  5.2517  65.333  4.9189  3.591072       7.195530  
1 1 1 -9  90  10 o 29.547  6.3827  513.551    198.294  715.250    290.379  337.307    271.437  34.414  7.9503  24.547  8.4412  9.867414       11.59576  
1 1 1 -9  90  11 o 28.053  7.0507  470.106    213.983  418.035    324.822  510.030    284.422  26.894  9.2348  28.979  8.5053  -2.085346      12.55476  
1 1 1 -9  90  12 o 15.468  6.6728  1.0001     203.628  -173.8443  314.082  127.783    267.453  16.646  7.6425  19.766  8.0156  -3.119617      11.07511  
1 1 1 -9  90  13 o 47.911  4.6709  1293.14    239.305  1202.19    333.139  1390.10    343.976  45.104  7.0502  48.750  6.6910  -3.646904      9.719760  
1 1 1 -9  90  14 o 21.389  7.6993  243.261    227.686  78.891     382.663  333.345    283.289  21.491  9.2073  24.307  8.6052  -2.815998      12.60248  
1 1 1 -9  90  15 o 27.630  7.8153  469.595    244.350  411.323    360.607  519.065    332.256  26.627  9.6740  28.819  9.3278  -2.192265      13.43852  
1 1 1 -9  90  16 o 77.453  3.7881  3331.17    317.780  3327.49    463.208  3334.44    436.773  76.085  5.6615  76.429  5.3092  -0.3444138     7.761449  
1 1 1 -9  90  17 o 32.587  7.9929  663.985    279.970  360.474    478.962  821.512    345.058  26.738  10.767  35.798  8.9292  -9.060411      13.98805  
1 1 1 -9  91  1  o 35.780  4.9367  721.580    186.218  555.343    284.205  846.638    246.503  30.514  8.3545  38.438  6.1267  -7.923340      10.36023  
1 1 1 -9  91  2  f 36.251  2.2533  717.833    88.036   682.123    92.648   1049.98    282.559  35.308  2.4376  42.835  6.2765  -7.527065      6.733263  
1 1 1 -9  91  3  o 17.385  6.6265  125.111    173.153  104.386    250.000  144.219    240.055  19.091  7.7469  19.653  7.7176  -0.5627136     10.93509  
1 1 1 -9  91  4  o 21.580  6.6675  264.653    171.578  319.540    246.244  212.860    239.205  23.990  8.0423  21.185  7.8490  2.805023       11.23764  
1 1 1 -9  91  5  o 36.709  5.5118  767.933    212.378  770.526    304.953  765.492    295.946  35.892  8.0437  35.842  7.8414  0.4938507E-01  11.23342  
1 1 1 -9  91  6  o 34.029  6.0302  669.324    214.119  409.488    308.643  910.405    297.296  26.757  9.0036  39.350  7.2423  -12.59327      11.55492  
1 1 1 -9  91  7  o 56.654  3.6920  1772.64    225.315  1934.94    324.889  1622.25    312.746  58.673  5.1650  53.568  5.4670  5.105221       7.520986  
1 1 1 -9  91  8  o 16.071  6.5430  68.611     179.052  137.872    263.191  8.9370     244.299  19.970  8.0028  17.047  7.3314  2.923094       10.85332  
1 1 1 -9  91  9  f 32.335  5.8445  605.755    197.149  717.240    295.740  516.585    264.491  34.424  8.0719  29.244  8.0814  5.180248       11.42214  
1 1 1 -9  91  10 o 49.857  4.2028  1385.45    224.838  1524.79    327.072  1260.62    309.585  51.612  5.9605  46.738  6.2741  4.874561       8.653982  
1 1 1 -9  91  11 o 16.298  6.7639  55.548     196.185  118.321    283.146  -2.4133    272.079  19.989  8.1933  17.646  7.6627  2.342791       11.21812  
1 1 1 -9  91  12 o 60.108  3.8576  2005.37    249.818  2004.88    359.613  2005.83    347.301  59.280  5.6700  59.403  5.4590  -0.1229095     7.870830  
1 1 1 -9  91  13 o 36.838  5.6572  785.501    218.506  767.683    318.290  801.383    300.506  35.165  8.4598  36.217  7.8844  -1.051441      11.56425  
1 1 1 -9  91  14 o 49.444  5.1016  1391.83    269.284  1813.36    419.236  1095.77    351.345  55.286  7.1701  42.373  7.9474  12.91224       10.70383  
1 1 1 -9  91  15 o 22.007  8.0719  257.378    251.920  463.470    393.940  114.785    327.680  27.844  10.112  20.698  8.6777  7.145893       13.32492  
1 1 1 -9  91  16 o 50.798  5.2261  1478.13    283.438  1050.69    438.417  1785.08    371.522  39.847  10.135  55.202  6.3282  -15.35435      11.94815  
1 1 1 -9  91  17 o 27.374  8.2234  467.164    263.445  704.070    419.332  312.685    338.614  32.540  10.474  24.274  9.2632  8.266521       13.98216  
1 1 1 -9  92  1  o 27.615  6.0514  444.440    175.997  666.404    269.855  280.143    232.170  33.458  7.6174  22.729  7.8073  10.72986       10.90771  
1 1 1 -9  92  2  o 46.236  4.4484  1192.42    220.023  1151.80    307.504  1235.04    314.947  44.698  6.5457  46.351  6.4481  -1.653172      9.188318  
1 1 1 -9  92  3  o 50.946  3.8594  1436.15    211.378  1200.76    306.325  1650.12    292.052  45.713  6.3592  54.244  5.0281  -8.531261      8.106868  
1 1 1 -9  92  4  o 22.296  6.8961  285.039    183.485  307.048    248.756  258.776    271.739  23.615  8.0824  22.788  8.3797  0.8273735      11.64231  
1 1 1 -9  92  5  o 54.671  3.9976  1656.37    235.075  1851.14    315.644  1413.81    352.253  57.404  5.1308  49.444  6.7544  7.959900       8.482151  
1 1 1 -9  92  6  o 50.456  4.1841  1415.89    226.596  1493.84    314.796  1332.08    326.432  51.248  5.7717  48.087  6.4283  3.160801       8.639244  
1 1 1 -9  92  7  o 93.841  3.1477  4824.95    319.929  5094.30    454.040  4559.35    450.872  95.910  4.3708  90.513  4.6144  5.397751       6.355834  
1 1 1 -9  92  8  o 15.215  6.3951  31.219     178.697  121.452    261.835  -47.4524   244.486  19.596  7.9364  16.130  7.1259  3.465887       10.66604  
1 1 1 -9  92  9  o 20.805  7.0941  236.150    191.635  468.059    288.251  52.460     256.539  27.915  8.6450  18.141  7.6456  9.774195       11.54081  
1 1 1 -9  92  10 o 102.565 3.2511  5777.36    361.155  6084.81    524.509  5500.18    498.022  104.510 4.6336  99.367  4.6274  5.143753       6.548545  
1 1 1 -9  92  11 o 82.825  3.3419  3772.71    299.799  3530.91    426.590  4008.67    421.415  79.242  4.9959  84.678  4.6122  -5.435791      6.799387  
1 1 1 -9  92  12 o 45.431  4.7387  1166.15    229.743  1356.23    332.160  991.813    318.106  48.187  6.5327  40.625  7.5059  7.561363       9.950666  
1 1 1 -9  92  13 o 43.457  5.1056  1077.00    235.734  946.426    360.446  1174.59    311.616  38.906  8.7640  44.672  6.6426  -5.765308      10.99696  
1 1 1 -9  92  14 o 40.795  6.0100  971.331    257.598  674.153    364.091  1269.19    364.507  32.364  9.6550  45.827  7.6107  -13.46283      12.29396  
1 1 1 -9  92  15 o 29.474  7.7028  537.411    248.637  570.833    369.620  509.787    336.027  29.908  9.8472  28.514  9.3892  1.393755       13.60605  
1 1 1 -9  92  16 o 26.713  8.0000  440.850    249.615  408.975    374.777  466.264    334.642  26.558  9.8276  27.487  9.3745  -0.9288807     13.58175  
1 1 1 -9  93  1  o 38.576  1.7978  808.859    75.117   826.876    77.785   559.669    289.280  39.000  1.8415  30.425  8.4677  8.574425       8.665631  
1 1 1 -9  93  2  o 25.567  6.5144  384.898    180.910  269.538    279.349  468.229    237.424  23.137  8.4979  28.008  7.6227  -4.871401      11.41580  
1 1 1 -9  93  3  o 60.620  3.5172  2024.82    229.938  1955.15    332.439  2088.73    318.379  58.943  5.2626  61.107  4.8503  -2.163918      7.156796  
1 1 1 -9  93  4  o 21.499  6.9629  259.998    185.115  154.734    252.168  383.019    272.609  20.072  7.9010  25.770  8.4555  -5.698112      11.57242  
1 1 1 -9  93  5  o 13.214  5.9640  -81.9049   181.230  -34.9051   244.630  -139.0789  269.812  16.352  7.1795  15.733  7.1702  0.6190500      10.14676  
1 1 1 -9  93  6  o 33.871  5.7562  661.511    203.614  625.902    278.482  702.413    298.462  32.186  8.0181  34.053  8.1919  -1.867867      11.46287  
1 1 1 -9  93  7  o 69.137  3.4421  2626.16    257.753  2456.45    373.201  2780.95    356.412  66.052  5.2602  70.573  4.6895  -4.521309      7.047045  
1 1 1 -9  93  8  o 26.491  6.8658  417.343    198.617  507.892    304.339  350.165    262.136  28.955  8.8691  24.748  8.2977  4.206602       12.14549  
1 1 1 -9  93  9  o 86.669  3.4494  4131.82    323.802  4337.42    469.140  3944.76    447.479  87.960  4.9444  83.870  4.9479  4.089890       6.994915  
1 1 1 -9  93  10 o 43.998  4.8471  1093.90    227.154  1393.60    346.368  867.729    300.897  48.862  6.7229  38.007  7.5753  10.85489       10.12827  
1 1 1 -9  93  11 o 26.746  7.5603  432.554    228.742  566.037    328.192  306.456    318.984  30.167  9.2046  24.247  9.0480  5.919430       12.90698  
1 1 1 -9  93  12 f 24.987  7.5232  374.715    220.312  173.096    337.743  524.045    290.667  22.010  8.9765  29.092  8.6148  -7.082384      12.44158  
1 1 1 -9  93  13 o 39.368  5.4642  893.661    226.708  912.514    336.197  877.938    307.015  38.371  8.3286  37.933  7.7348  0.4373741      11.36625  
1 1 1 -9  93  14 o 27.448  7.5287  462.357    230.546  452.727    338.814  470.660    314.613  27.294  9.4283  27.605  9.0848  -0.3112278     13.09297  
1 1 1 -9  93  15 o 18.522  7.5746  108.239    241.308  137.191    362.414  85.181     323.426  21.753  9.1233  20.121  8.5380  1.631559       12.49527  
1 1 1 -9  94  1  o 47.261  4.1549  1242.84    210.525  1029.85    299.036  1452.13    296.434  42.041  6.7993  50.634  5.4934  -8.592800      8.741190  
1 1 1 -9  94  2  o 20.690  6.8285  237.206    177.699  139.707    275.177  306.945    232.730  20.316  8.1683  23.386  7.8186  -3.070677      11.30713  
1 1 1 -9  94  3  o 35.178  5.5800  709.630    205.506  521.784    278.267  935.010    304.802  29.406  8.3479  39.786  7.3437  -10.37994      11.11836  
1 1 1 -9  94  4  o 74.517  3.3344  3046.79    269.122  2805.07    376.237  3300.04    385.111  70.797  4.9375  76.956  4.6421  -6.158829      6.777004  
1 1 1 -9  94  5  o 107.593 3.1752  6345.62    370.023  6188.48    520.611  6506.03    526.015  105.583 4.5525  108.297 4.4845  -2.714302      6.390298  
1 1 1 -9  94  6  o 47.499  4.3589  1260.21    221.746  1209.59    305.314  1316.73    322.590  45.775  6.3273  47.758  6.3972  -1.982964      8.997733  
1 1 1 -9  94  7  o 62.082  3.6194  2129.18    242.314  2520.30    353.741  1783.41    332.601  67.027  4.9068  56.045  5.5523  10.98210       7.409722  
1 1 1 -9  94  8  o 66.322  3.6752  2431.42    262.972  2677.48    378.120  2200.91    365.973  68.976  5.0974  62.320  5.4775  6.655384       7.482409  
1 1 1 -9  94  9  o 63.075  3.9840  2209.56    270.772  2256.46    396.136  2168.42    370.961  62.836  5.8893  61.739  5.6087  1.097389       8.132753  
1 1 1 -9  94  10 o 42.631  4.9848  1031.60    225.817  1123.47    345.530  963.118    298.347  43.265  7.6537  40.259  7.1017  3.005592       10.44093  
1 1 1 -9  94  11 o 21.458  7.6380  247.274    223.480  206.432    320.253  286.038    312.004  22.277  8.8610  23.681  8.9263  -1.403572      12.57761  
1 1 1 -9  94  12 o 49.748  4.6110  1395.76    245.628  1360.35    368.156  1424.18    329.751  47.708  7.3616  49.435  6.3019  -1.726604      9.690599  
1 1 1 -9  94  13 o 44.341  5.1502  1124.38    242.740  1421.81    348.534  844.208    338.268  49.073  6.7351  36.639  8.6608  12.43365       10.97140  
1 1 1 -9  94  14 o 32.944  7.1489  658.359    247.754  522.173    384.968  754.644    323.697  28.991  10.048  34.585  8.6606  -5.593946      13.26521  
1 1 1 -9  95  1  o 77.554  3.2391  3298.46    272.077  2995.42    383.156  3606.67    386.414  73.188  4.8612  80.538  4.4470  -7.350372      6.588413  
1 1 1 -9  95  2  o 46.978  4.3031  1231.40    216.516  1490.63    316.962  1004.61    296.465  51.136  5.8269  41.458  6.8410  9.678257       8.986230  
1 1 1 -9  95  3  o 39.229  4.9411  870.336    205.284  667.066    286.667  1084.29    294.105  33.196  8.0549  43.251  6.4775  -10.05557      10.33634  
1 1 1 -9  95  4  o 23.463  7.3327  319.402    206.851  172.511    308.284  439.687    278.970  21.635  8.6644  27.180  8.5191  -5.544991      12.15098  
1 1 1 -9  95  5  o 70.065  3.4687  2699.06    263.234  2669.49    366.136  2730.69    378.720  68.995  4.9320  69.729  5.0488  -0.7335129     7.057969  
1 1 1 -9  95  6  o 116.346 3.2667  7431.33    411.652  7095.54    583.138  7764.88    581.193  112.824 4.7720  118.185 4.5403  -5.360962      6.586837  
1 1 1 -9  95  7  o 61.315  3.5598  2076.76    235.390  2256.46    334.032  1899.49    331.762  63.375  4.9045  57.918  5.3491  5.457741       7.257185  
1 1 1 -9  95  8  o 36.429  5.4971  763.130    210.150  647.549    316.905  853.849    280.762  32.308  8.8124  37.901  7.1003  -5.593418      11.31691  
1 1 1 -9  95  9  f 48.784  4.6067  1338.59    240.528  1377.54    340.507  1299.80    339.810  48.559  6.6488  47.035  6.8732  1.524559       9.562759  
1 1 1 -9  95  10 o 24.702  7.1339  365.150    201.543  312.635    297.966  409.438    273.635  24.069  8.7862  26.152  8.4651  -2.083881      12.20058  
1 1 1 -9  95  11 o 28.539  7.1916  493.753    222.210  408.507    307.402  587.046    321.584  26.266  8.9848  30.581  9.0627  -4.315113      12.76158  
1 1 1 -9  95  12 o 43.790  4.7309  1087.28    220.818  1085.90    356.534  1088.14    281.255  42.051  8.1222  43.142  6.1969  -1.091808      10.21623  
1 1 1 -9  95  13 o 50.267  4.8999  1434.09    263.376  1365.97    390.681  1490.84    356.590  47.411  7.8851  50.294  6.7137  -2.883797      10.35605  
1 1 1 -9  95  14 o 26.467  7.6980  428.535    233.933  325.653    346.294  514.894    317.271  24.775  9.3883  28.696  9.0970  -3.920628      13.07274  
1 1 1 -9  96  1  o 37.607  4.7292  798.609    188.372  929.633    277.270  686.294    256.711  39.891  6.6516  33.950  7.2042  5.940659       9.805326  
1 1 1 -9  96  2  o 15.814  6.5975  44.206     188.059  205.084    272.789  -101.5032  259.610  21.520  8.2893  15.843  7.1456  5.676510       10.94403  
1 1 1 -9  96  3  o 79.030  3.2794  3428.57    280.708  3114.75    394.220  3751.33    399.800  74.561  4.9090  82.059  4.5156  -7.498276      6.670021  
1 1 1 -9  96  4  o 55.569  3.8633  1712.07    231.077  1600.46    342.043  1805.78    313.415  52.820  6.0904  56.568  5.1726  -3.748596      7.990535  
1 1 1 -9  96  5  o 29.513  6.3169  513.086    195.827  428.849    271.878  603.903    282.298  26.808  8.4113  31.456  8.2013  -4.647976      11.74785  
1 1 1 -9  96  6  o 75.125  3.5544  3108.65    289.214  2841.47    419.469  3350.74    399.296  70.805  5.5132  77.332  4.7908  -6.526855      7.303868  
1 1 1 -9  96  7  o 17.975  6.7830  145.951    180.286  336.962    259.305  -32.7832   250.833  24.289  8.2522  16.492  7.2548  7.797255       10.98777  
1 1 1 -9  96  8  o 20.474  7.0142  229.818    187.352  -21.2503   271.831  457.000    258.577  17.305  7.5839  27.433  8.1258  -10.12752      11.11503  
1 1 1 -9  96  9  o 23.743  7.5157  331.836    216.621  401.260    307.915  263.807    304.805  26.172  8.9911  23.139  8.7985  3.032711       12.57983  
1 1 1 -9  96  10 o 23.503  7.5000  324.948    215.379  258.087    335.783  371.685    280.739  23.478  9.1536  25.213  8.5864  -1.734964      12.55055  
1 1 1 -9  96  11 o 43.863  4.9107  1093.76    229.296  1245.57    334.276  958.855    315.118  45.826  6.9531  39.777  7.5913  6.049297       10.29431  
1 1 1 -9  96  12 o 25.289  7.3524  386.672    213.440  487.178    310.513  296.650    293.872  28.085  9.0099  23.558  8.7054  4.526867       12.52843  
1 1 1 -9  96  13 o 56.510  4.6782  1802.13    283.761  1740.11    441.259  1845.86    370.539  53.672  7.8205  56.380  6.1685  -2.708603      9.960407  
1 1 1 -9  97  1  o 21.807  6.7115  275.196    174.039  337.724    258.605  223.431    235.299  24.357  8.2413  21.170  7.7956  3.187737       11.34418  
1 1 1 -9  97  2  o 58.143  3.8092  1873.36    238.557  2151.48    343.936  1615.51    331.168  61.745  5.1911  53.153  5.8493  8.592175       7.820546  
1 1 1 -9  97  3  o 66.140  3.4659  2413.38    247.424  2389.36    360.472  2434.78    340.224  65.094  5.1550  65.884  4.8008  -0.7904968     7.044240  
1 1 1 -9  97  4  o 77.565  3.3310  3306.97    279.840  3554.98    409.500  3089.66    383.306  79.678  4.7670  74.249  4.7919  5.428085       6.759181  
1 1 1 -9  97  5  o 14.455  6.3166  -21.2829   187.363  -189.1230  290.391  98.419     245.237  15.727  7.2667  18.623  7.6284  -2.896400      10.53553  
1 1 1 -9  97  6  o 27.579  6.9183  455.645    206.304  313.578    286.921  607.712    296.847  24.025  8.6435  31.380  8.5163  -7.355108      12.13417  
1 1 1 -9  97  7  o 23.191  7.1108  316.354    195.576  259.709    265.779  383.250    288.827  22.463  8.2831  25.646  8.7094  -3.183458      12.01931  
1 1 1 -9  97  8  o 50.044  4.1017  1398.54    220.373  1268.92    311.419  1528.56    311.891  46.701  6.3189  51.651  5.6683  -4.949448      8.488710  
1 1 1 -9  97  9  o 82.866  3.4569  3786.81    310.265  3571.38    439.234  4001.35    438.328  79.476  5.1299  84.348  4.8179  -4.871635      7.037655  
1 1 1 -9  97  10 o 80.726  3.4334  3594.37    300.198  4008.28    432.950  3211.10    416.610  84.429  4.7539  75.306  5.1384  9.122765       7.000199  
1 1 1 -9  97  11 o 26.358  7.4423  421.870    221.786  331.121    341.392  488.140    291.734  24.914  9.3478  28.121  8.6951  -3.206924      12.76663  
1 1 1 -9  97  12 o 24.439  7.9780  353.903    242.807  114.840    379.635  519.390    315.858  21.889  9.2669  28.880  9.0669  -6.991491      12.96474  
1 1 1 -9  98  1  o 50.744  3.8681  1430.77    210.993  1363.43    286.012  1511.17    312.528  48.906  5.4946  51.416  5.7084  -2.510044      7.923161  
1 1 1 -9  98  2  o 43.146  4.5291  1046.82    208.495  1083.60    314.704  1018.04    278.346  42.857  7.0231  41.825  6.3435  1.032093       9.463787  
1 1 1 -9  98  3  o 56.047  3.8640  1743.93    233.127  1601.78    350.781  1856.39    311.999  52.662  6.2734  57.335  5.0766  -4.673180      8.070146  
1 1 1 -9  98  4  o 25.979  6.8660  403.370    196.112  606.455    300.014  251.849    259.142  31.336  8.5855  22.205  8.1805  9.130785       11.85878  
1 1 1 -9  98  5  o 59.912  3.7802  1990.73    244.043  2486.73    362.888  1581.20    329.744  66.379  5.0861  52.469  5.9050  13.91080       7.793439  
1 1 1 -9  98  6  o 48.569  4.2448  1319.92    221.053  1424.18    323.665  1228.76    302.628  49.625  6.1538  46.013  6.2329  3.612911       8.758839  
1 1 1 -9  98  7  o 67.321  3.5608  2507.11    258.712  2583.06    357.277  2423.38    375.125  67.707  4.9052  65.332  5.3481  2.374634       7.256934  
1 1 1 -9  98  8  o 72.913  3.3857  2929.46    267.378  3045.53    377.866  2813.07    378.394  73.587  4.7666  70.591  4.9810  2.995590       6.894273  
1 1 1 -9  98  9  o 54.392  4.6378  1665.77    270.613  1656.19    417.686  1672.69    355.257  52.663  7.5378  53.710  6.2221  -1.047157      9.774049  
1 1 1 -9  98  10 o 42.524  5.0930  1031.34    229.904  1072.92    337.287  995.259    314.205  42.124  7.6755  40.679  7.4041  1.444340       10.66460  
1 1 1 -9  99  1  o 22.908  6.9838  308.013    188.992  290.440    264.118  326.453    270.548  23.176  8.2977  24.121  8.4198  -0.9452095     11.82136  
1 1 1 -9  99  2  o 49.520  3.9753  1365.88    211.418  1148.40    304.604  1568.04    293.676  44.338  6.5392  52.571  5.2269  -8.233093      8.371478  
1 1 1 -9  99  3  o 51.136  4.1478  1459.60    227.750  1637.92    349.469  1327.96    300.275  53.271  6.1711  48.039  5.8948  5.232544       8.534082  
1 1 1 -9  99  4  o 50.351  4.1927  1416.66    226.568  1485.21    339.731  1361.76    304.060  50.599  6.3380  48.642  5.8915  1.957218       8.653360  
1 1 1 -9  99  5  o 72.697  3.4667  2912.48    272.960  2603.59    399.909  3181.91    373.491  67.655  5.5052  75.364  4.5975  -7.709885      7.172529  
1 1 1 -9  99  6  o 34.706  5.3905  694.383    196.060  711.861    275.927  676.559    278.635  34.217  7.6387  33.249  7.8611  0.9678688      10.96111  
1 1 1 -9  99  7  o 26.571  7.1633  426.002    210.841  597.153    298.396  255.356    297.954  30.989  8.5913  22.838  8.6955  8.151115       12.22386  
1 1 1 -9  99  8  o 48.123  4.3960  1300.45    226.598  1435.17    333.857  1185.38    308.554  49.659  6.3528  44.986  6.5228  4.672470       9.105202  
1 1 1 -9  99  9  o 28.588  7.4704  497.625    233.878  577.265    349.234  432.863    314.927  30.325  9.5361  26.899  9.0946  3.426279       13.17757  
1 1 1 -9  100 1  o 32.242  5.5888  603.246    188.098  523.448    276.912  671.607    256.303  29.174  8.3435  33.380  7.2931  -4.206360      11.08165  
1 1 1 -9  100 2  o 15.743  6.4453  64.349     174.967  90.761     255.144  40.902     240.396  18.688  7.7312  17.354  7.3622  1.334087       10.67579  
1 1 1 -9  100 3  o 35.207  6.0645  724.180    222.908  657.795    335.915  776.412    297.965  32.357  9.1672  35.664  7.9199  -3.307648      12.11455  
1 1 1 -9  100 4  o 24.805  7.5078  367.360    218.989  271.395    304.021  470.842    315.704  23.290  8.8036  27.856  9.0973  -4.565748      12.65959  
1 1 1 -9  100 5  o 20.651  7.1963  231.312    197.592  439.552    302.281  75.952     261.095  27.054  8.9051  18.574  7.7635  8.480131       11.81406  
1 1 1 -9  100 6  o 57.327  3.7240  1823.45    229.975  1808.13    323.476  1839.10    327.022  56.372  5.3626  56.851  5.3747  -0.4785805     7.592388  
1 1 1 -9  100 7  o 37.720  5.5672  820.855    220.609  815.738    311.801  825.985    312.177  36.461  8.1056  36.710  8.0712  -0.2490921     11.43875  
1 1 1 -9  100 8  o 53.249  4.1030  1582.92    234.815  1646.54    344.448  1527.68    320.952  53.401  6.0628  51.524  5.8552  1.877289       8.428585  
1 1 1 -9  101 1  o 27.619  11.077  359.812    504.617  0.0000     0.0000   359.812    504.617  ?       ?       27.619  11.077  0.000000       11.07660  
1 1 1 -9  101 2  o 37.296  5.4387  799.714    213.235  862.429    304.522  739.381    298.682  37.752  7.7082  34.727  8.0911  3.025219       11.17501  
1 1 1 -9  101 3  o 73.846  3.5771  3008.30    286.112  3087.74    420.368  2939.74    390.526  73.852  5.2903  72.206  5.0248  1.646599       7.296336  
1 1 1 -9  101 4  o 80.382  3.4360  3559.64    299.147  3733.50    428.529  3394.38    417.790  81.492  4.8775  77.621  4.9960  3.871704       6.982115  
1 1 1 -9  101 5  o 103.724 3.2895  5919.18    369.560  6416.71    526.798  5437.07    518.573  107.241 4.5354  98.501  4.8607  8.739876       6.648037  
1 1 1 -9  101 6  o 45.001  4.3789  1137.25    210.727  1314.53    297.619  959.040    298.408  47.768  5.8764  40.135  7.1256  7.632427       9.236103  
1 1 1 -9  102 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -9  102 2  o 33.745  10.813  733.633    447.315  0.0000     0.0000   733.633    447.315  ?       ?       33.745  10.813  0.000000       10.81270  
1 1 1 -8  0   1  o 204.810 5.5204  22775.05   1222.59  22775.05   1222.59  22775.05   1222.59  204.810 5.5204  204.810 5.5204  0.000000       0.000000  
1 1 1 -8  0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  0   3  o 537.200 18.026  157405.80  10461.37 157405.80  10461.37 157405.80  10461.37 537.200 18.026  537.200 18.026  0.000000       0.000000  
1 1 1 -8  0   4  o 171.314 4.8659  15936.11   901.222  15936.11   901.222  15936.11   901.222  171.314 4.8659  171.314 4.8659  0.000000       0.000000  
1 1 1 -8  0   5  o 262.571 6.6893  37424.35   1899.59  37424.35   1899.59  37424.35   1899.59  262.571 6.6893  262.571 6.6893  0.000000       0.000000  
1 1 1 -8  0   6  o 110.901 3.8960  6685.98    466.667  6685.98    466.667  6685.98    466.667  110.901 3.8960  110.901 3.8960  0.000000       0.000000  
1 1 1 -8  0   7  o 233.126 6.0936  29500.75   1536.25  29500.75   1536.25  29500.75   1536.25  233.126 6.0936  233.126 6.0936  0.000000       0.000000  
1 1 1 -8  0   8  o 668.366 15.652  242777.59  11316.56 242777.59  11316.56 242777.59  11316.56 668.366 15.652  668.366 15.652  0.000000       0.000000  
1 1 1 -8  0   9  o 211.556 5.4565  24291.88   1248.41  24291.88   1248.41  24291.88   1248.41  211.556 5.4565  211.556 5.4565  0.000000       0.000000  
1 1 1 -8  0   10 o 151.015 4.5889  12386.86   749.019  12386.86   749.019  12386.86   749.019  151.015 4.5889  151.015 4.5889  0.000000       0.000000  
1 1 1 -8  0   11 o 800.228 26.560  350319.50  22963.25 350319.50  22963.25 350319.50  22963.25 800.228 26.560  800.228 26.560  0.000000       0.000000  
1 1 1 -8  0   12 o 447.849 15.197  109277.10  7352.48  109277.10  7352.48  109277.10  7352.48  447.849 15.197  447.849 15.197  0.000000       0.000000  
1 1 1 -8  0   13 o 86.379  4.2279  4070.69    393.394  4070.69    393.394  4070.69    393.394  86.379  4.2279  86.379  4.2279  0.000000       0.000000  
1 1 1 -8  0   14 o 528.611 12.424  151983.00  7104.45  151983.00  7104.45  151983.00  7104.45  528.611 12.424  528.611 12.424  0.000000       0.000000  
1 1 1 -8  0   15 o 105.682 4.3213  6081.12    492.756  6081.12    492.756  6081.12    492.756  105.682 4.3213  105.682 4.3213  0.000000       0.000000  
1 1 1 -8  0   16 o 202.574 5.6120  22293.14   1229.19  22293.14   1229.19  22293.14   1229.19  202.574 5.6120  202.574 5.6120  0.000000       0.000000  
1 1 1 -8  0   17 o 213.111 5.7542  24674.36   1326.02  24674.36   1326.02  24674.36   1326.02  213.111 5.7542  213.111 5.7542  0.000000       0.000000  
1 1 1 -8  0   18 o 180.046 5.1771  17615.82   1007.70  17615.82   1007.70  17615.82   1007.70  180.046 5.1771  180.046 5.1771  0.000000       0.000000  
1 1 1 -8  0   19 o 232.825 6.1528  29462.88   1549.12  29462.88   1549.12  29462.88   1549.12  232.825 6.1528  232.825 6.1528  0.000000       0.000000  
1 1 1 -8  0   20 o 157.553 5.3069  13505.89   903.279  13505.89   903.279  13505.89   903.279  157.553 5.3069  157.553 5.3069  0.000000       0.000000  
1 1 1 -8  0   21 o 17.129  9.2279  226.513    237.377  226.513    237.377  226.513    237.377  17.129  9.2279  17.129  9.2279  0.000000       0.000000  
1 1 1 -8  0   22 o 286.075 7.2541  44549.23   2244.41  44549.23   2244.41  44549.23   2244.41  286.075 7.2541  286.075 7.2541  0.000000       0.000000  
1 1 1 -8  0   23 o 117.465 4.2609  7512.29    540.485  7512.29    540.485  7512.29    540.485  117.465 4.2609  117.465 4.2609  0.000000       0.000000  
1 1 1 -8  0   24 o 202.581 5.6154  22349.47   1229.97  22349.47   1229.97  22349.47   1229.97  202.581 5.6154  202.581 5.6154  0.000000       0.000000  
1 1 1 -8  0   25 o 136.440 4.5214  10145.14   666.511  10145.14   666.511  10145.14   666.511  136.440 4.5214  136.440 4.5214  0.000000       0.000000  
1 1 1 -8  0   26 o 80.292  4.5172  3538.98    389.992  3538.98    389.992  3538.98    389.992  80.292  4.5172  80.292  4.5172  0.000000       0.000000  
1 1 1 -8  0   27 o 15.541  9.2459  148.578    272.490  148.578    272.490  148.578    272.490  15.541  9.2459  15.541  9.2459  0.000000       0.000000  
1 1 1 -8  0   28 o 10.800  7.3549  -144.6827  263.995  -144.6827  263.995  -144.6827  263.995  10.800  7.3549  10.800  7.3549  0.000000       0.000000  
1 1 1 -8  0   29 o 36.868  8.7250  866.025    302.511  866.025    302.511  866.025    302.511  36.868  8.7250  36.868  8.7250  0.000000       0.000000  
1 1 1 -8  0   30 o 20.422  10.357  350.623    285.922  350.623    285.922  350.623    285.922  20.422  10.357  20.422  10.357  0.000000       0.000000  
1 1 1 -8  0   31 f 16.946  1.7355  160.645    31.089   160.645    31.089   160.645    31.089   16.946  1.7355  16.946  1.7355  0.000000       0.000000  
1 1 1 -8  0   32 o 26.430  13.187  631.070    459.407  631.070    459.407  631.070    459.407  26.430  13.187  26.430  13.187  0.000000       0.000000  
1 1 1 -8  0   33 o 25.083  13.124  603.724    468.483  603.724    468.483  603.724    468.483  25.083  13.124  25.083  13.124  0.000000       0.000000  
1 1 1 -8  0   34 o 20.805  13.453  326.990    711.319  326.990    711.319  326.990    711.319  20.805  13.453  20.805  13.453  0.000000       0.000000  
1 1 1 -8  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  1   1  o 473.757 11.255  121953.10  5775.33  119111.40  8167.62  124794.70  8167.47  467.388 16.134  478.483 15.760  -11.09500      22.55401  
1 1 1 -8  1   2  o 462.160 7.6413  115842.50  3825.00  107718.20  5409.11  123968.20  5409.62  445.281 11.216  477.788 10.454  -32.50693      15.33184  
1 1 1 -8  1   3  o 270.955 4.8186  39780.68   1414.13  39423.56   1999.68  40137.95   2000.09  269.661 6.8465  272.096 6.7867  -2.434845      9.640233  
1 1 1 -8  1   4  o 407.207 6.8815  89887.57   3035.05  87811.95   4292.09  91963.40   4292.31  402.269 9.8511  411.687 9.6262  -9.417999      13.77341  
1 1 1 -8  1   5  o 300.959 5.2817  49076.86   1721.68  48598.36   2434.40  49555.70   2435.26  299.410 7.5068  302.348 7.4365  -2.937531      10.56662  
1 1 1 -8  1   6  o 694.834 13.219  262202.91  9948.25  259583.09  12183.88 267443.00  17231.42 690.847 16.283  699.801 22.734  -8.953674      27.96375  
1 1 1 -8  1   7  o 683.561 11.262  253537.50  8337.87  248018.80  11791.42 259056.41  11791.63 675.390 16.119  690.314 15.771  -14.92383      22.55101  
1 1 1 -8  1   8  o 519.537 8.5864  146343.09  4831.69  146158.70  5579.16  146896.59  9663.38  519.109 9.9229  519.623 17.170  -0.5138550     19.83115  
1 1 1 -8  1   9  o 334.890 5.8042  60769.37   2105.28  60621.31   2977.43  60917.41   2977.21  334.388 8.2209  335.204 8.2003  -0.8165894     11.61156  
1 1 1 -8  1   10 o 451.136 7.5356  110329.20  3682.09  110994.80  5207.07  109663.60  5207.46  452.270 10.630  449.544 10.695  2.725830       15.07905  
1 1 1 -8  1   11 o 166.348 4.9504  14992.87   891.932  15821.29   1272.97  14193.95   1250.10  170.844 6.8794  161.814 7.1328  9.030289       9.909735  
1 1 1 -8  1   12 o 594.816 13.981  192457.20  9006.94  194167.50  12737.80 190746.91  12737.66 596.146 19.727  590.825 19.905  5.321167       28.02461  
1 1 1 -8  1   13 o 285.875 4.9514  44288.96   1533.10  44507.56   2168.30  44070.42   2167.97  286.481 6.9880  285.069 7.0215  1.412201       9.906267  
1 1 1 -8  1   14 o 443.771 7.3684  106851.70  3541.62  106888.60  5008.68  106814.70  5008.53  443.427 10.429  443.273 10.432  0.1538391      14.75078  
1 1 1 -8  1   15 o 153.689 3.2898  12797.74   547.628  12732.01   774.782  12863.37   774.144  153.257 4.6675  154.047 4.6398  -0.7894440     6.581305  
1 1 1 -8  1   16 o 141.234 3.1885  10808.19   487.749  10555.25   671.957  11089.87   709.104  139.535 4.4462  143.021 4.5776  -3.485489      6.381478  
1 1 1 -8  1   17 o 97.051  2.9246  5103.55    307.422  4554.53    624.996  5278.78    353.089  91.373  6.3548  98.696  3.3030  -7.323044      7.161929  
1 1 1 -8  1   18 o 233.905 4.3798  29670.43   1109.59  29725.81   2215.08  29651.88   1282.04  233.638 8.7534  233.777 5.0632  -0.1395416     10.11229  
1 1 1 -8  1   19 o 266.565 5.1845  38565.58   1496.85  38609.22   3982.44  38558.40   1615.29  264.562 13.947  266.492 5.5962  -1.929596      15.02809  
1 1 1 -8  1   20 o 110.744 3.0949  6647.56    371.231  7151.24    732.072  6473.21    430.717  114.578 5.9192  109.264 3.6395  5.314537       6.948636  
1 1 1 -8  1   21 o 270.417 6.1326  39757.33   1796.18  40304.10   2836.27  39391.21   2320.90  271.485 9.6456  268.805 7.9717  2.680145       12.51342  
1 1 1 -8  1   22 o 176.666 3.6244  16929.72   693.521  16941.58   980.852  16917.85   980.722  176.584 5.1284  176.460 5.1313  0.1240387      7.254707  
1 1 1 -8  1   23 o 162.774 3.4789  14375.75   613.338  14424.06   867.456  14327.44   867.325  162.894 4.9167  162.346 4.9325  0.5484924      6.964459  
1 1 1 -8  1   24 o 166.730 3.6779  15097.56   664.171  14555.01   899.298  15748.61   985.116  163.496 5.0784  170.018 5.3496  -6.521317      7.376211  
1 1 1 -8  1   25 f 52.163  3.4962  1485.49    196.386  1365.46    274.188  1611.93    281.417  49.755  5.1631  54.156  4.8490  -4.400745      7.083082  
1 1 1 -8  1   26 o 17.339  6.6405  114.285    174.403  377.492    246.048  -151.4851  247.242  26.006  7.9761  15.062  6.8643  10.94365       10.52315  
1 1 1 -8  1   27 o 30.617  6.3223  536.781    202.712  683.034    286.507  390.180    286.848  34.293  7.8792  26.638  8.6702  7.654572       11.71559  
1 1 1 -8  1   28 o 53.913  3.9981  1599.43    231.799  1509.63    327.116  1690.00    328.514  51.875  5.9284  55.022  5.5901  -3.146862      8.148336  
1 1 1 -8  1   29 o 77.445  3.2224  3276.04    270.302  3014.77    368.885  3578.97    397.216  73.820  4.6373  80.476  4.5760  -6.656334      6.514916  
1 1 1 -8  1   30 o 62.872  4.3630  2192.70    295.267  2400.44    530.702  2099.56    355.343  64.211  7.7903  61.122  5.4239  3.088596       9.492528  
1 1 1 -8  1   31 o 42.071  1.2603  960.470    57.429   853.445    99.803   1013.45    70.218   39.490  2.3439  43.197  1.5008  -3.706448      2.783190  
1 1 1 -8  1   32 o 23.808  7.7050  333.174    226.712  601.015    447.857  240.892    262.882  30.983  10.832  21.916  8.2068  9.067698       13.58979  
1 1 1 -8  1   33 o 74.771  2.9507  3084.98    238.961  2607.26    590.616  3178.49    261.303  63.967  8.7544  75.781  3.1836  -11.81372      9.315316  
1 1 1 -8  1   34 o 63.635  12.241  3197.45    813.070  0.0000     0.0000   3197.45    813.070  ?       ?       63.635  12.241  0.000000       12.24111  
1 1 1 -8  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  2   1  o 373.915 6.3905  75796.17   2588.08  75347.20   3660.05  76245.16   3660.14  372.605 9.0692  374.824 9.0157  -2.218414      12.78801  
1 1 1 -8  2   2  o 517.271 8.6343  145174.30  4837.44  149693.41  6841.30  140655.50  6841.04  524.798 12.036  508.650 12.417  16.14874       17.29321  
1 1 1 -8  2   3  o 237.548 4.3375  30572.75   1115.99  30828.94   1578.11  30316.46   1578.40  238.490 6.1094  236.498 6.1620  1.992340       8.677231  
1 1 1 -8  2   4  o 492.150 8.2137  131354.00  4378.31  129872.80  6191.69  132835.30  6192.04  489.017 11.690  494.578 11.559  -5.561523      16.43995  
1 1 1 -8  2   5  o 545.427 9.0549  161347.30  5349.23  159657.20  7564.83  163037.59  7565.06  542.149 12.883  547.875 12.749  -5.726318      18.12435  
1 1 1 -8  2   6  o 546.147 9.0840  161748.59  5373.50  162441.20  7599.36  161055.91  7599.19  546.951 12.828  544.608 12.883  2.343384       18.18037  
1 1 1 -8  2   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  2   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  2   9  o 509.220 8.4788  140593.91  4676.36  140516.80  6613.43  140670.91  6613.32  508.778 12.001  509.057 11.995  -0.2796021     16.96761  
1 1 1 -8  2   10 o 254.029 4.5813  34959.67   1260.49  33743.25   1781.29  36179.69   1783.92  249.520 6.5911  258.378 6.3745  -8.857742      9.169356  
1 1 1 -8  2   11 o 361.446 8.7925  70857.36   3442.13  67901.95   4867.67  73813.34   4868.15  353.536 12.712  368.650 12.192  -15.11459      17.61377  
1 1 1 -8  2   12 o 484.836 13.664  127843.20  7175.49  127701.30  8562.29  128178.00  13151.09 484.127 16.329  482.371 25.259  1.756348       30.07782  
1 1 1 -8  2   13 o 355.659 6.0901  68575.05   2346.01  66979.23   3317.75  70170.88   3317.77  351.301 8.7195  359.592 8.5186  -8.290344      12.19001  
1 1 1 -8  2   14 f 710.206 11.802  274487.91  9078.58  278713.31  12838.96 270262.50  12839.13 713.956 16.603  702.943 16.863  11.01337       23.66508  
1 1 1 -8  2   15 o 280.539 4.9355  42666.93   1499.68  43455.11   2119.46  41876.66   2122.27  282.973 6.9153  277.775 7.0540  5.198639       9.878279  
1 1 1 -8  2   16 o 257.865 4.6696  36052.44   1304.20  35759.58   2605.01  36150.40   1506.61  256.360 9.3819  258.165 5.3881  -1.804962      10.81899  
1 1 1 -8  2   17 o 81.563  2.9332  3604.58    259.122  3674.73    497.365  3578.45    303.577  82.102  5.6270  81.258  3.4493  0.8437347      6.600110  
1 1 1 -8  2   18 o 214.466 4.2945  24942.43   997.560  24369.16   2518.64  25049.09   1086.41  210.912 11.064  214.898 4.6676  -3.986496      12.00829  
1 1 1 -8  2   19 o 333.135 5.8246  60267.63   2101.61  58558.28   4197.63  60839.45   2427.81  326.958 11.853  334.562 6.6999  -7.604065      13.61586  
1 1 1 -8  2   20 o 134.514 3.2585  9808.37    474.733  10500.65   922.269  9558.82    553.726  139.010 6.1255  132.766 3.8507  6.243179       7.235309  
1 1 1 -8  2   21 o 155.760 3.4013  13154.56   573.810  11797.74   1137.78  13617.38   664.507  147.204 7.1362  158.447 3.8721  -11.24286      8.118986  
1 1 1 -8  2   22 o 192.489 3.8141  20101.75   795.191  19440.35   1582.96  20324.98   919.649  188.768 7.7423  193.499 4.3881  -4.731064      8.899380  
1 1 1 -8  2   23 o 47.605  4.2627  1240.54    217.460  1048.76    417.672  1311.86    254.705  42.916  9.2575  48.887  4.8753  -5.970631      10.46277  
1 1 1 -8  2   24 o 109.527 3.5040  6513.40    415.681  6586.34    709.251  6475.23    513.028  109.706 5.9917  109.130 4.3404  0.5756912      7.398562  
1 1 1 -8  2   25 f 178.223 4.5229  17306.45   873.072  17293.07   1412.16  17314.72   1110.81  177.274 7.3547  177.930 5.7640  -0.6560516     9.344270  
1 1 1 -8  2   26 o 164.376 3.9980  14730.60   711.794  15941.56   1246.94  14145.28   866.913  169.943 6.7744  160.783 4.9781  9.160263       8.406822  
1 1 1 -8  2   27 o 51.338  4.8776  1458.16    267.958  1137.10    482.202  1601.60    322.304  43.758  10.338  53.644  5.6312  -9.885906      11.77254  
1 1 1 -8  2   28 o 50.056  4.6148  1387.48    247.379  1564.88    485.723  1325.35    287.453  51.733  8.9952  48.673  5.5521  3.060738       10.57064  
1 1 1 -8  2   29 o 75.438  3.6103  3115.19    294.986  3705.93    578.998  2908.11    342.814  81.006  6.6581  72.579  4.3815  8.426804       7.970449  
1 1 1 -8  2   30 o 22.011  7.6193  258.562    221.329  -310.5651  434.515  457.962    257.195  18.891  8.7839  27.794  8.0681  -8.903379      11.92697  
1 1 1 -8  2   31 o 42.779  1.5677  994.182    72.636   864.510    104.902  1113.61    100.673  39.727  2.4499  45.224  2.0553  -5.496613      3.197872  
1 1 1 -8  2   32 o 80.927  3.0209  3596.62    264.785  3712.12    619.457  3570.80    292.891  79.354  7.2888  80.504  3.3591  -1.150429      8.025584  
1 1 1 -8  2   33 o 27.005  7.6798  460.144    235.289  -176.2901  462.513  682.358    273.296  19.802  9.1570  32.829  7.8012  -13.02687      12.02955  
1 1 1 -8  2   34 o 36.910  9.0709  949.753    360.046  0.0000     0.0000   949.753    360.046  ?       ?       36.910  9.0709  0.000000       9.070883  
1 1 1 -8  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  3   2  f 291.152 5.0974  45936.80   1607.46  47748.15   2273.42  44125.86   2273.16  296.749 7.0733  285.256 7.3574  11.49249       10.20599  
1 1 1 -8  3   3  o 417.381 7.0231  94449.20   3174.93  90870.73   4489.68  98028.78   4490.38  409.148 10.131  424.993 9.7551  -15.84564      14.06431  
1 1 1 -8  3   4  o 521.123 8.6684  147295.30  4892.73  142060.20  6919.02  152531.59  6919.72  511.355 12.493  529.924 12.056  -18.56927      17.36124  
1 1 1 -8  3   5  o 382.115 6.4994  79133.36   2689.90  77779.09   3803.89  80487.92   3804.30  378.682 9.2743  385.230 9.1177  -6.547821      13.00560  
1 1 1 -8  3   6  o 705.871 16.473  271013.31  12594.15 268484.59  17810.39 273542.19  17811.25 700.999 23.458  707.629 23.239  -6.629578      33.01997  
1 1 1 -8  3   7  o 78.922  2.5136  3373.44    214.867  3469.36    249.111  3094.74    424.636  80.035  2.8737  75.398  5.2322  4.636856       5.969449  
1 1 1 -8  3   8  o 308.600 5.2764  51596.77   1763.61  51927.69   2036.56  50604.46   3526.64  309.567 6.0740  305.414 10.661  4.152863       12.26998  
1 1 1 -8  3   9  o 189.397 3.9863  19431.26   817.735  17654.04   1000.50  23007.41   1419.24  180.513 5.1173  206.048 6.3594  -25.53526      8.162650  
1 1 1 -8  3   10 o 586.537 9.6822  186618.30  6150.94  186079.91  8698.86  187156.59  8698.62  585.200 13.724  586.896 13.684  -1.696289      19.38069  
1 1 1 -8  3   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  3   12 o 177.017 5.0750  16979.49   973.018  18029.54   1376.13  15929.67   1375.98  182.360 6.9672  171.400 7.4119  10.96080       10.17246  
1 1 1 -8  3   13 o 457.576 7.7090  113580.80  3820.57  115507.20  5403.40  111654.90  5402.82  461.060 10.820  453.280 11.005  7.779602       15.43326  
1 1 1 -8  3   14 o 265.052 5.5560  38086.76   1595.00  39065.52   2759.20  37595.55   1954.68  268.156 9.5000  263.263 6.8551  4.893707       11.71507  
1 1 1 -8  3   15 o 133.216 3.0869  9614.73    445.394  9711.42    884.299  9581.86    515.564  133.803 6.1019  132.979 3.5796  0.8241730      7.074330  
1 1 1 -8  3   16 o 307.076 5.3803  51145.88   1789.47  50326.18   3574.03  51420.12   2067.24  303.879 10.859  307.820 6.2005  -3.941193      12.50451  
1 1 1 -8  3   17 o 240.395 4.6834  31339.02   1219.42  30144.53   3178.11  31545.23   1320.49  234.454 12.561  241.158 5.0555  -6.703552      13.54016  
1 1 1 -8  3   18 o 374.866 6.9982  76372.13   2841.41  75346.09   5269.56  76792.73   3373.91  370.688 13.125  375.627 8.2929  -4.939667      15.52530  
1 1 1 -8  3   19 o 270.165 5.1639  39613.95   1511.05  38513.57   4024.19  39794.56   1630.35  264.171 14.116  270.734 5.5599  -6.562805      15.17110  
1 1 1 -8  3   20 o 89.074  3.0372  4300.44    293.016  4647.89    575.058  4178.59    340.540  92.322  5.7801  87.789  3.5814  4.532608       6.799696  
1 1 1 -8  3   21 o 161.414 3.5081  14128.17   613.308  14701.44   1219.50  13934.09   709.572  164.358 6.8505  160.265 4.0878  4.093002       7.977430  
1 1 1 -8  3   22 o 42.001  4.5995  969.246    205.817  1236.93    398.867  872.107    240.277  46.941  8.1403  39.639  5.7655  7.302097       9.975210  
1 1 1 -8  3   23 o 334.666 6.1415  61013.77   2226.16  56411.44   6103.09  61720.08   2390.89  314.417 17.996  336.458 6.5608  -22.04120      19.15485  
1 1 1 -8  3   24 f 287.744 5.4852  45125.13   1709.51  43841.86   4583.14  45332.52   1842.48  277.341 15.317  288.260 5.9013  -10.91888      16.41422  
1 1 1 -8  3   25 o 34.724  2.0186  655.992    75.592   624.735    80.188   905.495    226.555  33.869  2.1978  40.383  5.3083  -6.513630      5.745320  
1 1 1 -8  3   26 o 82.029  2.1864  3651.27    194.250  4253.64    354.508  3392.82    232.213  88.371  3.7038  79.029  2.7129  9.341530       4.591048  
1 1 1 -8  3   27 o 40.253  5.5753  908.300    236.549  813.847    454.304  943.432    277.072  37.130  10.707  40.807  6.4859  -3.676559      12.51827  
1 1 1 -8  3   28 o 24.570  7.6489  339.867    225.321  373.520    434.025  327.451    263.630  28.128  10.543  24.668  8.3211  3.460361       13.43089  
1 1 1 -8  3   29 o 90.529  3.4067  4481.05    334.034  4134.34    653.536  4603.65    388.633  85.328  7.1370  91.619  3.9164  -6.290367      8.140903  
1 1 1 -8  3   30 o 32.527  6.7398  619.671    229.642  1084.72    452.791  458.628    266.453  41.841  10.105  27.826  8.2501  14.01474       13.04532  
1 1 1 -8  3   31 o 40.701  1.9657  901.616    86.655   913.679    91.208   789.747    277.751  40.911  2.0650  36.411  7.2971  4.500092       7.583672  
1 1 1 -8  3   32 o 66.234  2.8243  2405.02    202.607  2370.44    554.607  2410.35    217.650  62.460  8.4121  66.245  3.0334  -3.785431      8.942319  
1 1 1 -8  3   33 o 25.110  7.7503  394.206    231.895  336.535    456.768  414.232    269.164  25.611  10.442  25.658  8.4010  -0.4704475E-01 13.40160  
1 1 1 -8  3   34 o 27.350  12.069  465.058    699.400  0.0000     0.0000   465.058    699.400  ?       ?       27.350  12.069  0.000000       12.06907  
1 1 1 -8  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   1  o 567.760 18.989  176154.09  11676.97 0.0000     0.0000   176154.09  11676.97 ?       ?       567.760 18.989  0.000000       18.98870  
1 1 1 -8  4   2  o 435.072 7.3092  102642.10  3444.31  102914.10  4871.01  102370.20  4870.98  435.366 10.330  434.211 10.357  1.155090       14.62802  
1 1 1 -8  4   3  o 451.504 7.5911  110541.90  3712.24  110428.20  5249.79  110655.70  5250.01  450.978 10.748  451.443 10.737  -0.4655151     15.19207  
1 1 1 -8  4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   7  f 464.136 7.8044  116771.40  3923.33  117545.40  4530.36  114449.60  7846.23  465.601 8.9836  458.836 15.788  6.764587       18.16513  
1 1 1 -8  4   8  o 489.238 8.1455  129757.50  4316.26  131281.41  4984.10  125186.80  8631.88  492.021 9.3526  479.758 16.612  12.26385       19.06356  
1 1 1 -8  4   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   10 o 754.552 12.414  309179.00  10145.60 311133.00  14348.03 307225.00  14348.05 755.905 17.525  751.117 17.637  4.788452       24.86305  
1 1 1 -8  4   11 o 202.217 5.4802  22158.04   1200.28  20755.12   1690.65  23583.74   1704.32  195.645 7.9784  208.565 7.5447  -12.92000      10.98072  
1 1 1 -8  4   12 o 583.761 13.731  185352.20  8682.02  184461.09  12278.16 186243.30  12278.30 581.074 19.509  583.898 19.415  -2.824707      27.52320  
1 1 1 -8  4   13 o 502.415 8.4306  136979.09  4587.64  136541.70  9173.70  137124.91  5297.65  500.062 16.938  502.511 9.7335  -2.449066      19.53511  
1 1 1 -8  4   14 o 250.022 4.5929  33878.16   1243.77  34694.58   2484.96  33605.28   1436.68  252.742 9.0776  248.981 5.3275  3.761826       10.52546  
1 1 1 -8  4   15 o 408.483 6.9634  90556.50   3080.80  90211.09   6160.00  90671.72   3557.71  406.382 13.995  408.597 8.0391  -2.215271      16.13969  
1 1 1 -8  4   16 o 204.859 4.1069  22748.12   911.249  20929.10   2281.76  23093.29   993.953  195.676 10.808  206.391 4.4464  -10.71481      11.68696  
1 1 1 -8  4   17 o 219.436 4.1295  26104.71   981.461  25229.04   1958.85  26398.22   1134.08  215.365 8.3976  220.628 4.7458  -5.263596      9.645879  
1 1 1 -8  4   18 o 92.561  3.0000  4642.78    300.754  5845.82    582.507  4205.51    351.184  103.795 5.1815  88.080  3.6812  15.71590       6.356007  
1 1 1 -8  4   19 o 90.074  3.0571  4397.12    298.244  4046.06    575.538  4526.00    348.718  86.078  6.2150  91.373  3.5236  -5.294624      7.144383  
1 1 1 -8  4   20 o 281.643 5.0234  43056.84   1532.38  41220.17   3054.71  43674.46   1771.39  274.565 10.272  283.552 5.7678  -8.986816      11.78055  
1 1 1 -8  4   21 o 195.061 4.1025  20642.01   866.745  21585.05   1635.60  20273.77   1022.05  199.040 7.5869  193.242 4.8832  5.798294       9.022560  
1 1 1 -8  4   22 o 232.413 4.4476  29324.31   1119.59  31181.57   2226.95  28696.09   1295.18  238.858 8.6080  229.807 5.2035  9.051636       10.05850  
1 1 1 -8  4   23 o 42.875  2.1817  998.845    100.981  943.090    365.595  1003.45    105.068  40.750  8.5556  42.968  2.2656  -2.217995      8.850550  
1 1 1 -8  4   24 o 71.613  3.2768  2783.64    254.158  3057.22    470.811  2671.12    301.931  74.635  5.8716  69.998  3.9991  4.636757       7.104078  
1 1 1 -8  4   25 f 81.969  3.1149  3649.25    276.539  3747.34    519.747  3610.52    326.607  82.560  5.8502  81.484  3.7007  1.075882       6.922452  
1 1 1 -8  4   26 o 89.525  2.6738  4353.48    259.260  4369.83    442.232  4344.92    320.024  89.317  4.5868  89.365  3.3063  -0.4842377E-01 5.654279  
1 1 1 -8  4   27 o 94.054  3.0224  4814.48    307.896  4977.99    603.370  4756.91    358.019  94.807  5.9052  93.405  3.5389  1.402672       6.884408  
1 1 1 -8  4   28 o 122.129 3.3066  8137.30    437.385  8269.26    862.174  8091.57    507.545  121.644 6.5682  121.625 3.8528  0.1831818E-01  7.614843  
1 1 1 -8  4   29 o 53.431  4.3946  1580.97    252.067  1911.87    494.594  1464.86    292.970  57.358  8.1943  51.139  5.3695  6.219074       9.796807  
1 1 1 -8  4   30 o 58.420  4.1852  1891.07    263.061  1656.28    515.096  1973.92    305.971  52.326  9.4358  59.487  4.7894  -7.161495      10.58174  
1 1 1 -8  4   31 o 49.701  2.3907  1347.66    128.696  1337.83    143.361  1388.46    292.095  49.401  2.6895  49.384  5.5575  0.1699829E-01  6.174094  
1 1 1 -8  4   32 o 40.233  2.3004  886.591    99.825   1234.47    476.942  870.653    102.086  43.610  10.267  39.853  2.3758  3.757076       10.53875  
1 1 1 -8  4   33 o 45.435  2.4283  1135.51    119.065  1569.65    495.874  1108.95    122.653  48.507  9.7761  44.868  2.5343  3.638985       10.09924  
1 1 1 -8  4   34 f 22.590  10.940  -422.0766  824.505  0.0000     0.0000   -422.0766  824.505  ?       ?       22.590  10.940  0.000000       10.93961  
1 1 1 -8  4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  5   2  o 299.978 6.0978  48775.41   1981.21  49083.36   2426.13  48158.96   3432.56  300.858 7.4453  297.807 10.642  3.050629       12.98765  
1 1 1 -8  5   3  o 354.708 6.1027  68192.84   2344.59  67762.31   3315.50  68623.48   3316.00  353.440 8.6609  355.683 8.6076  -2.242401      12.21073  
1 1 1 -8  5   4  o 193.087 3.7253  20195.88   779.083  19805.72   1101.60  20586.29   1101.97  191.185 5.3199  194.918 5.2197  -3.733032      7.452973  
1 1 1 -8  5   5  f 592.486 11.351  190534.59  7284.32  192035.50  8921.37  187532.59  12617.00 594.487 13.855  586.441 19.864  8.046021       24.21861  
1 1 1 -8  5   6  o 533.709 8.8885  154452.30  5138.10  155370.30  5932.96  151698.30  10276.23 535.184 10.235  527.909 17.972  7.274963       20.68250  
1 1 1 -8  5   7  f 219.157 4.0146  26016.97   952.935  26315.71   1100.72  25123.09   1903.99  220.403 4.6109  215.276 8.1658  5.127060       9.377716  
1 1 1 -8  5   8  o 286.562 5.0405  44488.82   1564.46  43667.03   1806.35  46955.55   3129.58  283.883 5.8748  294.235 9.8202  -10.35236      11.44334  
1 1 1 -8  5   9  o 262.488 4.7586  37327.04   1352.86  37531.38   1562.55  36715.23   2703.70  263.190 5.4814  260.178 9.5944  3.011597       11.04981  
1 1 1 -8  5   10 o 929.751 17.586  470731.00  17709.41 474540.19  21689.45 463112.50  30673.76 932.243 21.481  916.948 30.885  15.29547       37.62082  
1 1 1 -8  5   11 o 923.529 30.739  470567.41  30747.32 470567.41  30747.32 0.0000     0.0000   923.529 30.739  ?       ?       0.000000       30.73876  
1 1 1 -8  5   12 o 303.629 6.0285  49968.15   1982.53  46958.15   3427.77  51481.18   2430.25  294.069 10.762  308.131 7.2819  -14.06192      12.99409  
1 1 1 -8  5   13 o 325.867 5.6731  57560.89   2002.32  53025.91   4000.06  59077.19   2312.97  312.279 11.826  330.085 6.4696  -17.80573      13.48032  
1 1 1 -8  5   14 o 423.083 7.1196  97112.81   3262.51  92177.48   6522.99  98759.28   3767.61  410.994 14.653  426.535 8.1553  -15.54068      16.77004  
1 1 1 -8  5   15 o 237.227 4.4209  30503.38   1135.92  31725.18   2269.14  30094.82   1312.17  241.632 8.6704  235.597 5.1422  6.035095       10.08055  
1 1 1 -8  5   16 o 129.295 3.1042  9058.03    434.709  9288.67    863.270  8979.67    503.159  130.833 6.0920  128.723 3.6089  2.110306       7.080717  
1 1 1 -8  5   17 o 124.217 3.0774  8360.98    414.036  8581.38    821.039  8285.82    479.464  125.737 6.0288  123.644 3.5802  2.093208       7.011737  
1 1 1 -8  5   18 o 251.899 4.9151  34423.77   1340.99  35243.37   2506.35  34095.05   1587.29  254.337 9.0983  250.602 5.8479  3.735321       10.81566  
1 1 1 -8  5   19 o 196.450 3.8747  20925.68   824.446  20636.45   1644.32  21022.81   952.872  194.721 7.7966  196.865 4.4689  -2.143707      8.986485  
1 1 1 -8  5   20 o 87.736  3.0461  4172.23    289.463  4039.61    567.859  4218.78    336.458  86.002  6.1365  88.212  3.5216  -2.209297      7.075148  
1 1 1 -8  5   21 o 174.562 3.5793  16524.52   676.728  15444.34   1346.54  16889.54   782.762  168.389 7.3831  176.442 4.0960  -8.053650      8.443138  
1 1 1 -8  5   22 o 103.085 3.0967  5761.70    345.750  5760.21    663.793  5762.26    405.031  102.731 5.9917  103.067 3.6283  -0.3362122     7.004622  
1 1 1 -8  5   23 o 206.190 3.9516  23080.80   882.492  21621.47   1750.82  23577.83   1021.78  198.773 8.1323  208.318 4.5286  -9.545181      9.308213  
1 1 1 -8  5   24 o 94.879  3.0793  4884.97    316.444  5047.48    602.377  4823.02    371.892  96.020  5.8196  94.237  3.6436  1.783699       6.866062  
1 1 1 -8  5   25 o 96.054  3.0627  5010.76    318.636  4424.58    605.245  5235.52    374.777  89.645  6.2731  98.140  3.5258  -8.494446      7.196020  
1 1 1 -8  5   26 o 95.970  3.3297  5011.35    346.112  4994.94    682.109  5017.03    401.660  94.921  6.6772  95.946  3.8651  -1.024963      7.715190  
1 1 1 -8  5   27 o 111.226 3.0901  6734.50    372.262  6295.36    694.777  6911.34    440.888  106.600 6.0424  112.569 3.6161  -5.968414      7.041763  
1 1 1 -8  5   28 o 110.449 3.3027  6655.36    395.088  6893.86    776.665  6572.10    458.901  111.076 6.4839  109.606 3.8656  1.469650       7.548712  
1 1 1 -8  5   29 o 24.898  7.5164  356.211    219.698  994.192    432.627  134.514    255.029  40.461  9.9429  19.920  7.9123  20.54165       12.70695  
1 1 1 -8  5   30 o 46.059  4.9945  1191.44    245.163  394.703    480.045  1472.57    285.154  28.523  10.994  51.179  5.2171  -22.65581      12.16877  
1 1 1 -8  5   31 o 53.487  2.3628  1560.51    136.879  1597.69    154.530  1425.11    294.926  54.072  2.6386  50.045  5.5336  4.026497       6.130482  
1 1 1 -8  5   32 o 31.114  7.0682  584.244    232.774  61.600     455.618  768.847    270.781  22.756  9.8987  35.719  7.2469  -12.96359      12.26795  
1 1 1 -8  5   33 o 16.613  6.8660  79.215     200.959  73.384     444.275  80.715     225.328  21.967  9.6595  17.322  7.2238  4.645313       12.06183  
1 1 1 -8  5   34 o 25.781  12.034  156.719    828.167  0.0000     0.0000   156.719    828.167  ?       ?       25.781  12.034  0.000000       12.03418  
1 1 1 -8  5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   1  o 324.385 5.6141  57027.94   1972.47  56778.92   2789.39  57276.99   2789.58  323.553 7.9597  324.971 7.9255  -1.418152      11.23249  
1 1 1 -8  6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   3  o 216.314 4.0501  25349.05   948.901  25123.23   1341.56  25575.13   1342.34  215.310 5.7528  217.239 5.7050  -1.929016      8.101905  
1 1 1 -8  6   4  o 151.214 3.1882  12385.29   522.163  12318.71   737.487  12452.21   739.417  150.792 4.5155  151.607 4.5030  -0.8150940     6.377045  
1 1 1 -8  6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   8  o 525.731 8.7781  149863.20  4998.42  148473.20  5771.73  154033.00  9996.60  523.177 10.186  532.057 17.347  -8.880005      20.11628  
1 1 1 -8  6   9  o 452.292 7.6272  110891.80  3736.41  110545.40  4314.49  111930.70  7472.51  451.511 8.8225  453.750 15.205  -2.239655      17.57899  
1 1 1 -8  6   10 f 784.691 12.859  334448.69  10929.17 346936.81  15456.49 321961.69  15455.87 798.101 17.881  768.666 18.565  29.43469       25.77520  
1 1 1 -8  6   11 o 763.435 17.841  317644.59  14752.02 317644.59  14752.02 0.0000     0.0000   763.435 17.841  ?       ?       0.000000       17.84059  
1 1 1 -8  6   12 o 781.595 14.872  332554.50  12589.59 338272.69  21804.54 329694.91  15419.48 784.270 25.669  777.185 18.318  7.084412       31.53489  
1 1 1 -8  6   13 o 504.424 8.3918  138079.30  4584.80  138221.41  9167.63  138031.91  5294.46  503.120 16.823  504.164 9.6957  -1.043671      19.41741  
1 1 1 -8  6   14 o 272.836 4.9183  40348.07   1453.40  42384.59   2904.91  39668.04   1678.61  279.296 9.6028  270.485 5.7298  8.810181       11.18232  
1 1 1 -8  6   15 o 475.346 7.9494  122714.10  4092.72  118842.50  8182.72  124005.70  4726.39  465.701 16.223  477.624 9.1364  -11.92300      18.61843  
1 1 1 -8  6   16 o 356.048 6.1304  68794.15   2364.11  65270.10   4724.17  69971.52   2730.62  345.661 12.618  358.967 7.0232  -13.30560      14.44127  
1 1 1 -8  6   17 o 524.451 9.4721  149796.09  5380.46  149077.59  9948.91  150093.20  6396.59  519.573 17.679  524.360 11.263  -4.787354      20.96190  
1 1 1 -8  6   18 o 305.032 5.4040  50496.31   1785.37  51069.38   3566.10  50304.63   2062.46  305.790 10.767  304.342 6.2568  1.448242       12.45307  
1 1 1 -8  6   19 o 183.660 3.7188  18287.84   739.758  18512.15   1469.22  18211.66   856.207  184.477 7.3532  183.240 4.3141  1.236176       8.525294  
1 1 1 -8  6   20 o 238.474 4.5672  30857.07   1179.68  27776.26   3042.91  31402.01   1279.76  224.510 12.564  240.534 4.9123  -16.02351      13.49020  
1 1 1 -8  6   21 o 109.308 3.0028  6476.82    355.507  6240.94    660.043  6573.21    421.940  107.013 5.7153  110.098 3.5384  -3.084396      6.721936  
1 1 1 -8  6   22 o 94.962  2.7260  4888.16    280.382  5062.54    499.858  4808.10    338.681  96.548  4.7801  94.160  3.3209  2.387917       5.820410  
1 1 1 -8  6   23 o 46.227  2.0594  1158.06    103.113  1189.66    113.362  1006.62    248.157  46.851  2.2340  42.663  5.4983  4.187805       5.934841  
1 1 1 -8  6   24 o 49.228  2.0331  1313.58    108.406  1176.24    360.450  1327.24    113.668  45.743  7.5378  49.481  2.1209  -3.737999      7.830522  
1 1 1 -8  6   25 o 244.096 4.5115  32467.72   1192.75  30643.78   2374.51  33083.24   1379.40  234.770 9.3381  246.159 5.1737  -11.38878      10.67560  
1 1 1 -8  6   26 o 106.228 3.2776  6139.15    377.100  6190.65    744.640  6121.39    437.326  105.765 6.5323  105.989 3.8096  -0.2241898     7.562008  
1 1 1 -8  6   27 f 57.006  2.5697  1766.22    158.663  1705.16    498.751  1773.10    167.358  54.381  8.7657  57.105  2.7058  -2.724415      9.173830  
1 1 1 -8  6   28 o 38.568  2.0884  810.318    86.916   802.040    91.781   882.243    270.549  38.356  2.2188  39.297  6.5899  -0.9407845     6.953352  
1 1 1 -8  6   29 o 69.764  3.7271  2673.72    280.601  2314.88    547.532  2801.53    326.776  63.192  8.1926  71.265  4.2529  -8.073341      9.230748  
1 1 1 -8  6   30 o 120.432 3.3292  7946.26    434.262  7758.83    854.567  8011.51    504.217  116.728 6.7886  120.688 3.8573  -3.959152      7.807927  
1 1 1 -8  6   31 o 54.955  2.4598  1648.44    146.414  1668.30    167.880  1585.36    299.251  55.148  2.8200  52.914  5.2925  2.233868       5.996898  
1 1 1 -8  6   32 f 19.994  7.5597  189.764    224.217  239.437    442.100  172.563    260.158  24.850  10.218  20.366  8.0225  4.484066       12.99108  
1 1 1 -8  6   33 o 27.216  2.4054  409.340    70.176   380.514    72.565   825.581    275.744  26.190  2.5922  36.513  7.2282  -10.32316      7.678990  
1 1 1 -8  6   34 o 26.920  11.911  426.019    685.622  0.0000     0.0000   426.019    685.622  ?       ?       26.920  11.911  0.000000       11.91084  
1 1 1 -8  6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  7   2  o 57.599  2.3622  1796.91    147.367  1566.77    207.623  2030.56    209.204  53.660  3.5931  61.144  3.1698  -7.484798      4.791498  
1 1 1 -8  7   3  o 435.925 7.3527  103026.30  3471.58  100809.50  4909.22  105243.60  4909.91  430.958 10.517  440.355 10.294  -9.396942      14.71697  
1 1 1 -8  7   4  o 418.790 7.0566  95068.55   3200.80  94299.44   4526.23  95837.91   4527.01  416.895 10.024  420.289 9.9447  -3.393188      14.12013  
1 1 1 -8  7   5  o 506.126 8.4439  138891.59  4628.86  138117.70  5344.74  141213.91  9258.77  504.612 9.7791  509.446 16.780  -4.833954      19.42139  
1 1 1 -8  7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  7   7  o 555.769 9.1689  167489.09  5519.24  167429.41  6373.05  167668.20  11038.58 555.551 10.591  554.995 18.363  0.5556641      21.19890  
1 1 1 -8  7   8  o 166.497 3.3813  15015.28   609.771  15292.13   704.766  14190.92   1216.11  168.020 3.8727  161.815 6.9388  6.205215       7.946357  
1 1 1 -8  7   9  o 679.164 11.215  250326.30  8249.69  250361.80  9525.96  250219.70  16499.19 678.973 12.953  676.863 22.506  2.110107       25.96722  
1 1 1 -8  7   10 o 645.281 12.380  226122.00  8652.13  228683.50  10596.45 220998.50  14986.48 648.489 15.086  636.090 21.753  12.39874       26.47217  
1 1 1 -8  7   11 o 718.747 13.693  280822.69  10659.37 285410.41  18462.98 278529.00  13054.87 721.915 23.613  715.112 16.855  6.802795       29.01119  
1 1 1 -8  7   12 o 530.944 12.469  153231.59  7170.64  0.0000     0.0000   153231.59  7170.64  ?       ?       530.944 12.469  0.000000       12.46922  
1 1 1 -8  7   13 o 92.683  2.9012  4653.20    291.242  4930.44    574.740  4557.41    337.828  95.208  5.5982  91.720  3.4006  3.487541       6.550097  
1 1 1 -8  7   14 o 191.930 3.8786  19960.10   806.290  19957.87   1519.23  19960.97   951.323  191.785 7.3137  191.913 4.5767  -0.1285095     8.627696  
1 1 1 -8  7   15 o 224.878 4.2288  27408.67   1030.00  27909.91   2056.94  27240.92   1189.93  226.655 8.3789  224.158 4.9011  2.497803       9.707039  
1 1 1 -8  7   16 o 103.708 2.9542  5827.41    331.840  6038.38    656.979  5755.15    384.491  105.339 5.7804  103.054 3.4447  2.284874       6.728923  
1 1 1 -8  7   17 o 69.815  2.5474  2640.67    192.626  2540.18    269.260  2746.00    275.681  68.361  3.6498  71.088  3.5921  -2.727036      5.120927  
1 1 1 -8  7   18 o 139.292 3.2080  10515.34   483.987  10829.85   962.922  10409.03   559.842  141.208 6.2960  138.568 3.7302  2.639877       7.318027  
1 1 1 -8  7   19 o 248.081 4.7166  33390.69   1267.33  35060.39   2372.52  32724.03   1499.14  253.660 8.6355  245.495 5.6381  8.165054       10.31307  
1 1 1 -8  7   20 o 274.507 5.2056  40910.37   1547.73  41985.65   2886.50  40476.48   1833.59  277.259 9.6121  272.905 6.2033  4.354248       11.43994  
1 1 1 -8  7   21 o 190.400 4.0698  19667.38   839.290  21090.77   1581.04  19108.90   990.351  196.766 7.4186  187.605 4.8739  9.160065       8.876402  
1 1 1 -8  7   22 o 224.590 4.1784  27376.51   1016.41  28790.56   2017.70  26895.66   1176.60  229.620 8.1129  222.520 4.8819  7.099976       9.468494  
1 1 1 -8  7   23 o 109.023 3.0621  6446.68    361.583  6620.20    699.896  6383.50    422.305  110.103 5.8904  108.457 3.5950  1.645393       6.900768  
1 1 1 -8  7   24 o 74.270  2.5945  2991.63    208.706  2826.50    299.340  3147.84    291.142  72.025  3.8511  76.136  3.5306  -4.111107      5.224538  
1 1 1 -8  7   25 o 64.910  3.3409  2295.60    234.081  2766.55    434.737  2103.31    277.787  70.896  5.7100  62.018  4.1596  8.877754       7.064410  
1 1 1 -8  7   26 o 69.912  3.6932  2669.81    278.664  2526.54    548.926  2719.55    323.441  67.046  7.6987  70.463  4.2580  -3.417023      8.797755  
1 1 1 -8  7   27 o 50.868  4.4827  1427.37    244.452  1598.75    482.951  1368.33    283.443  52.609  8.7854  49.600  5.3614  3.008942       10.29214  
1 1 1 -8  7   28 o 136.600 3.4330  10187.12   507.923  10404.61   1043.89  10119.65   581.385  136.097 7.1063  135.971 3.9477  0.1262970      8.129231  
1 1 1 -8  7   29 o 52.832  4.4192  1546.61    250.558  1924.91    492.176  1414.27    291.103  57.574  8.1179  50.209  5.4399  7.364975       9.772094  
1 1 1 -8  7   30 o 25.290  7.5932  373.722    224.660  359.547    443.572  378.613    260.550  27.444  10.571  25.643  8.2560  1.801533       13.41264  
1 1 1 -8  7   31 o 33.220  2.1407  603.659    76.613   583.633    79.820   837.924    273.004  32.641  2.2719  37.667  6.9477  -5.026199      7.309714  
1 1 1 -8  7   32 o 23.773  7.8147  331.181    232.818  514.808    449.312  263.782    272.212  29.356  10.778  22.554  8.3697  6.801512       13.64625  
1 1 1 -8  7   33 o 49.583  2.5134  1353.59    134.539  1309.81    150.453  1528.28    300.563  48.653  2.8678  51.175  5.5094  -2.522320      6.211109  
1 1 1 -8  7   34 o 23.725  10.967  62.467     662.386  0.0000     0.0000   62.467     662.386  ?       ?       23.725  10.967  0.000000       10.96672  
1 1 1 -8  7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  8   1  o 627.718 20.919  215451.09  14222.19 215451.09  14222.19 0.0000     0.0000   627.718 20.919  ?       ?       0.000000       20.91858  
1 1 1 -8  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  8   3  o 254.235 4.5995  35018.27   1266.53  35958.46   1790.83  34077.43   1791.45  257.574 6.4192  250.741 6.5964  6.833252       9.204327  
1 1 1 -8  8   4  f 312.972 4.8920  53068.84   1658.31  53010.05   2140.58  53157.07   2622.55  312.753 6.3192  313.130 7.7327  -0.3770752     9.986289  
1 1 1 -8  8   5  o 272.534 4.7736  40238.77   1409.07  39690.64   1626.73  41885.83   2819.88  270.654 5.5492  277.908 9.3683  -7.254089      10.88843  
1 1 1 -8  8   6  o 171.022 3.4429  15842.47   637.737  16300.82   736.783  14473.20   1273.47  173.474 3.9214  163.414 7.1950  10.05948       8.194180  
1 1 1 -8  8   7  o 525.455 8.7342  149699.09  4970.81  152461.50  5739.88  141412.80  9941.18  530.185 9.9955  509.740 18.006  20.44592       20.59440  
1 1 1 -8  8   8  o 504.974 8.4393  138251.59  4615.80  140451.91  5330.06  131652.80  9230.56  508.886 9.6703  491.880 17.326  17.00616       19.84203  
1 1 1 -8  8   9  o 500.440 8.3969  135788.00  4551.37  136695.91  5255.53  133064.50  9102.44  502.013 9.6657  494.486 16.995  7.527069       19.55175  
1 1 1 -8  8   10 o 500.690 9.3933  135980.70  5093.99  141684.20  8821.70  133127.59  6239.32  510.307 15.961  495.196 11.633  15.11066       19.75014  
1 1 1 -8  8   11 o 550.027 10.563  164208.20  6292.77  170429.41  10899.82 161097.91  7706.89  559.144 17.998  544.466 13.069  14.67816       22.24244  
1 1 1 -8  8   12 o 483.977 11.550  127260.50  6054.37  0.0000     0.0000   127260.50  6054.37  ?       ?       483.977 11.550  0.000000       11.54980  
1 1 1 -8  8   13 o 181.782 3.6624  17902.71   721.087  17996.58   1438.76  17871.22   833.300  182.149 7.2927  181.610 4.2363  0.5393372      8.433907  
1 1 1 -8  8   14 o 35.560  4.5253  696.365    170.343  1501.50    320.640  379.774    201.064  52.308  5.7546  26.019  6.9870  26.28949       9.051774  
1 1 1 -8  8   15 o 437.439 7.4146  103890.30  3512.97  104667.40  7024.90  103631.10  4056.63  437.417 14.828  436.707 8.5764  0.7102661      17.12938  
1 1 1 -8  8   16 o 180.501 3.6265  17657.09   708.978  16766.95   1414.96  17955.48   819.235  175.688 7.4359  181.999 4.1559  -6.311981      8.518484  
1 1 1 -8  8   17 f 300.696 5.5983  49064.45   1823.27  49292.12   3395.17  48972.18   2161.37  300.650 10.426  300.290 6.6453  0.3600464      12.36398  
1 1 1 -8  8   18 o 164.089 3.6098  14595.37   641.544  14458.77   1496.86  14626.11   710.068  162.742 8.5216  164.244 3.9915  -1.501556      9.410136  
1 1 1 -8  8   19 o 118.107 3.1156  7560.37    398.549  7532.48    781.138  7570.18    463.405  117.592 6.1545  118.167 3.6207  -0.5748291     7.140523  
1 1 1 -8  8   20 o 340.785 6.3036  63124.09   2326.69  59563.75   6407.04  63664.93   2497.17  326.213 18.206  342.152 6.7384  -15.93900      19.41331  
1 1 1 -8  8   21 o 225.414 4.5861  27579.52   1119.68  28421.06   2865.05  27427.82   1216.41  227.133 11.686  224.746 4.9971  2.387177       12.70934  
1 1 1 -8  8   22 o 263.198 4.7786  37623.77   1362.24  37282.56   2716.88  37738.36   1574.44  260.854 9.6162  263.471 5.5173  -2.617310      11.08651  
1 1 1 -8  8   23 o 156.997 3.3903  13373.10   576.503  13184.84   1137.10  13438.23   668.836  155.458 6.7533  157.329 3.9250  -1.870880      7.811059  
1 1 1 -8  8   24 o 26.645  6.0658  402.936    171.128  299.789    306.838  449.504    206.170  25.107  8.9485  28.110  6.8372  -3.003151      11.26156  
1 1 1 -8  8   25 o 111.331 3.0497  6731.83    367.736  7064.77    696.349  6603.08    433.045  113.649 5.6571  110.195 3.6283  3.454346       6.720628  
1 1 1 -8  8   26 o 62.612  3.9287  2145.56    265.079  1882.39    519.438  2238.23    308.237  57.466  8.6107  63.856  4.4851  -6.390411      9.708811  
1 1 1 -8  8   27 o 65.268  2.7264  2316.47    192.738  2908.41    529.658  2226.12    206.924  72.048  6.8706  63.957  2.9871  8.091587       7.491894  
1 1 1 -8  8   28 o 83.349  2.9436  3784.83    265.732  3656.56    390.564  3895.39    362.595  81.498  4.4414  84.352  3.9688  -2.853432      5.956249  
1 1 1 -8  8   29 o 22.807  7.5695  284.745    218.246  -462.1101  430.314  543.390    253.232  17.650  8.3720  30.354  7.6928  -12.70344      11.36962  
1 1 1 -8  8   30 o 67.558  3.8513  2518.48    280.643  2213.78    549.129  2626.20    326.503  61.168  8.5199  68.798  4.4048  -7.629841      9.591220  
1 1 1 -8  8   31 o 68.785  2.8521  2589.73    212.490  2382.44    275.547  2893.86    333.765  65.566  3.8977  72.113  4.2926  -6.546745      5.798141  
1 1 1 -8  8   32 o 72.246  3.0133  2867.31    235.793  3457.35    582.739  2751.80    257.844  76.646  7.1002  70.650  3.3696  5.996330       7.859207  
1 1 1 -8  8   33 o 41.884  2.0154  958.780    91.429   971.543    96.561   848.190    284.235  42.089  2.1251  36.900  7.3698  5.189167       7.670090  
1 1 1 -8  8   34 o 31.639  12.805  872.783    681.089  0.0000     0.0000   872.783    681.089  ?       ?       31.639  12.805  0.000000       12.80498  
1 1 1 -8  8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  9   1  o 486.456 9.5430  128399.10  5028.03  133636.00  6157.67  117921.40  8709.87  496.066 11.461  465.168 17.288  30.89874       20.74132  
1 1 1 -8  9   2  o 83.355  2.4906  3763.17    224.859  3673.15    317.069  3854.26    318.935  82.346  3.5550  84.352  3.4909  -2.006104      4.982405  
1 1 1 -8  9   3  o 331.364 5.6985  59500.58   2045.20  60866.68   2892.10  58134.02   2892.59  335.047 7.9696  327.431 8.1564  7.616943       11.40356  
1 1 1 -8  9   4  o 514.241 9.9718  143459.80  5554.05  146487.20  6801.97  137403.20  9620.83  519.426 12.090  502.331 17.683  17.09454       21.42105  
1 1 1 -8  9   5  o 643.654 12.253  224902.50  8542.17  225183.59  10461.44 224340.09  14797.00 643.668 15.006  641.286 21.304  2.382324       26.05792  
1 1 1 -8  9   6  o 339.616 5.7860  62494.29   2128.31  62367.57   2457.49  62874.55   4257.01  339.243 6.6882  340.388 11.547  -1.145538      13.34390  
1 1 1 -8  9   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  9   8  o 508.951 8.5232  140442.20  4698.37  139573.59  5425.22  143048.09  9396.68  507.274 9.8743  512.776 16.919  -5.501587      19.58971  
1 1 1 -8  9   9  o 341.257 5.8777  63104.02   2172.50  64289.77   3074.03  61920.82   3070.74  344.350 8.2421  337.939 8.3895  6.410889       11.76075  
1 1 1 -8  9   10 o 256.502 5.2649  35648.66   1462.69  35483.70   2529.19  35731.56   1792.93  255.777 9.1296  256.767 6.4469  -0.9906158     11.17641  
1 1 1 -8  9   11 o 524.236 12.368  149301.00  7022.39  151305.50  9932.17  147297.30  9930.15  526.931 17.403  519.861 17.636  7.069824       24.77670  
1 1 1 -8  9   12 o 859.872 19.940  404348.09  18571.06 0.0000     0.0000   404348.09  18571.06 ?       ?       859.872 19.940  0.000000       19.94036  
1 1 1 -8  9   13 o 229.725 4.2745  28595.52   1063.56  28271.06   2125.08  28703.95   1228.49  228.224 8.5969  230.139 4.9285  -1.914948      9.909457  
1 1 1 -8  9   14 o 259.427 4.7157  36478.18   1325.05  36989.86   2648.88  36307.41   1530.28  260.919 9.3732  258.782 5.4596  2.136963       10.84730  
1 1 1 -8  9   15 o 281.165 5.0232  42862.07   1529.72  43107.87   3058.07  42780.04   1766.63  281.475 10.031  280.840 5.8079  0.6351929      11.59091  
1 1 1 -8  9   16 o 378.842 6.4744  77906.62   2656.60  76928.84   5310.52  78232.98   3068.09  375.109 13.071  379.488 7.4645  -4.379456      15.05223  
1 1 1 -8  9   17 o 97.922  2.9534  5195.75    313.240  5310.92    622.464  5156.70    362.481  98.748  5.8459  97.544  3.4310  1.204422       6.778350  
1 1 1 -8  9   18 o 214.559 4.0634  24961.34   944.299  23854.00   1885.87  25331.87   1090.91  209.338 8.3175  216.104 4.6607  -6.766541      9.534350  
1 1 1 -8  9   19 o 364.251 6.2627  72087.42   2470.79  72873.66   4937.94  71824.83   2853.73  364.461 12.509  363.386 7.2506  1.075775       14.45847  
1 1 1 -8  9   20 o 320.542 5.6052  55805.20   1946.02  53168.25   3886.52  56687.51   2248.13  311.419 11.522  322.918 6.4278  -11.49902      13.19408  
1 1 1 -8  9   21 o 124.960 3.1438  8465.43    425.491  8629.66    833.139  8407.49    494.899  125.979 6.1059  124.508 3.6699  1.471924       7.123870  
1 1 1 -8  9   22 o 194.214 3.8156  20464.99   802.631  20445.72   1593.08  20471.54   929.179  193.590 7.5977  194.184 4.4179  -0.5941315     8.788830  
1 1 1 -8  9   23 o 75.785  2.7790  3114.32    228.107  3152.75    327.087  3077.94    318.278  76.097  3.9823  75.192  3.9217  0.9048691      5.589120  
1 1 1 -8  9   24 o 34.971  4.9824  679.194    183.385  663.298    345.356  685.437    216.417  34.094  9.1579  34.966  5.9261  -0.8723259     10.90806  
1 1 1 -8  9   25 o 49.182  2.3062  1312.15    122.847  1710.43    401.793  1271.07    129.026  55.389  6.8429  48.337  2.4728  7.052250       7.275988  
1 1 1 -8  9   26 o 69.911  2.7493  2655.65    208.179  2742.47    272.855  2534.72    322.039  70.876  3.5657  67.987  4.3969  2.889313       5.661014  
1 1 1 -8  9   27 o 92.156  3.0342  4622.74    302.857  4339.63    655.490  4699.58    341.492  88.101  6.9252  92.859  3.3954  -4.758080      7.712761  
1 1 1 -8  9   28 o 96.481  3.3238  5080.07    347.336  4970.62    682.446  5118.34    403.507  94.101  6.7405  96.716  3.8520  -2.615562      7.763483  
1 1 1 -8  9   29 o 48.240  4.7155  1295.53    243.231  1629.60    475.998  1177.47    282.963  52.648  8.6477  45.627  5.8613  7.021107       10.44691  
1 1 1 -8  9   30 o 57.099  4.2740  1809.65    262.403  1890.18    515.385  1781.47    304.877  56.322  8.7312  56.383  5.0457  -0.6126404E-01 10.08430  
1 1 1 -8  9   31 o 50.332  2.4855  1383.15    135.498  1337.84    152.488  1553.16    295.381  49.355  2.8649  52.361  5.2805  -3.006092      6.007562  
1 1 1 -8  9   32 o 38.246  6.1841  857.649    247.429  770.287    477.960  889.633    289.195  34.112  11.196  38.474  7.2047  -4.362377      13.31397  
1 1 1 -8  9   33 o 14.724  1.9550  120.454    30.407   121.460    30.616   47.587     260.690  14.785  1.9601  17.631  7.5778  -2.845440      7.827153  
1 1 1 -8  9   34 f 25.417  11.438  274.244    660.838  0.0000     0.0000   274.244    660.838  ?       ?       25.417  11.438  0.000000       11.43790  
1 1 1 -8  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  10  2  o 368.736 6.3374  73690.46   2531.04  72642.80   3579.17  74738.42   3579.70  365.958 9.0299  371.207 8.9035  -5.249298      12.68109  
1 1 1 -8  10  3  o 608.111 14.364  201025.00  9460.86  201025.00  9460.86  0.0000     0.0000   608.111 14.364  ?       ?       0.000000       14.36407  
1 1 1 -8  10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  10  5  o 442.303 7.3615  106035.50  3526.58  104781.80  4071.80  109799.00  7054.99  439.615 8.5515  449.532 14.490  -9.917084      16.82517  
1 1 1 -8  10  6  o 737.269 17.184  295693.09  13722.27 295693.09  13722.27 0.0000     0.0000   737.269 17.184  ?       ?       0.000000       17.18422  
1 1 1 -8  10  7  o 655.560 10.826  233157.59  7687.22  231930.80  8876.36  236838.41  15374.83 653.632 12.538  658.959 21.542  -5.326294      24.92494  
1 1 1 -8  10  8  o 268.209 4.2699  38968.62   1240.40  39960.23   1602.18  37485.07   1959.71  271.575 5.4469  262.992 6.8798  8.582642       8.775018  
1 1 1 -8  10  9  o 814.188 15.346  360442.31  13532.83 369991.19  16574.95 341349.31  23437.64 824.135 18.569  788.863 27.431  35.27185       33.12494  
1 1 1 -8  10  10 f 153.224 3.6647  12717.50   608.186  11098.55   1044.59  13547.74   748.051  143.097 6.7398  158.138 4.3674  -15.04137      8.031119  
1 1 1 -8  10  11 o 424.082 9.3606  97574.46   4299.55  96027.99   5605.04  99785.38   6701.87  420.427 12.309  428.318 14.446  -7.890717      18.97911  
1 1 1 -8  10  12 o 95.126  4.1521  4902.65    427.796  0.0000     0.0000   4902.65    427.796  ?       ?       95.126  4.1521  0.000000       4.152079  
1 1 1 -8  10  13 o 707.565 11.659  272273.69  8935.40  273610.00  17870.26 271828.19  10317.82 704.817 23.409  706.485 13.484  -1.668030      27.01483  
1 1 1 -8  10  14 o 121.008 3.0193  7932.70    395.717  7016.54    787.966  8241.69    457.608  113.555 6.4331  123.336 3.4256  -9.781395      7.288289  
1 1 1 -8  10  15 o 311.173 5.4296  52511.14   1829.94  52707.21   3656.84  52445.64   2113.62  311.103 10.853  310.906 6.2767  0.1973877      12.53691  
1 1 1 -8  10  16 o 202.952 3.9268  22325.70   863.176  24022.81   1725.32  21759.10   996.908  210.276 7.5755  200.328 4.5946  9.947845       8.859912  
1 1 1 -8  10  17 o 163.118 3.4785  14420.79   614.568  14844.64   1221.43  14277.12   711.143  165.312 6.8217  162.281 4.0459  3.031097       7.931303  
1 1 1 -8  10  18 o 157.058 3.3546  13369.87   570.653  13367.55   1130.54  13370.67   661.044  156.851 6.6547  157.040 3.8864  -0.1894379     7.706470  
1 1 1 -8  10  19 o 489.412 8.2282  130449.60  4361.67  121340.60  8719.99  133489.00  5037.06  467.587 17.218  494.655 9.4017  -27.06790      19.61761  
1 1 1 -8  10  20 o 250.338 4.9224  34015.31   1334.68  33831.08   2492.32  34089.38   1580.40  248.952 9.2431  250.498 5.8250  -1.546082      10.92545  
1 1 1 -8  10  21 o 39.044  1.5061  825.773    63.693   718.741    92.273   923.182    88.027   36.343  2.3568  41.279  1.9689  -4.935944      3.071015  
1 1 1 -8  10  22 o 175.195 3.8184  16653.40   724.552  15892.73   1360.94  16954.29   855.940  170.711 7.3605  176.709 4.4721  -5.997665      8.612594  
1 1 1 -8  10  23 o 75.315  3.1873  3077.06    260.000  3069.18    501.948  3079.95    303.954  74.782  6.2546  75.327  3.7255  -0.5447922     7.280045  
1 1 1 -8  10  24 o 71.205  2.6330  2750.10    203.065  2763.80    284.871  2735.94    289.541  71.231  3.7052  70.861  3.7862  0.3699188      5.297548  
1 1 1 -8  10  25 o 75.576  2.6685  3100.26    218.434  3005.50    505.212  3122.05    242.247  73.748  6.3879  75.821  2.9498  -2.073090      7.036145  
1 1 1 -8  10  26 o 39.694  5.6432  881.843    235.784  470.392    451.780  1035.87    276.415  30.490  10.859  42.973  6.1110  -12.48304      12.46050  
1 1 1 -8  10  27 o 11.648  2.0574  75.826     25.006   -482.8123  414.390  77.867     25.052   17.222  8.1825  11.811  2.0315  5.410937       8.430881  
1 1 1 -8  10  28 o 79.064  3.5081  3414.81    300.414  3350.56    590.522  3437.25    348.942  76.975  7.1652  79.100  4.0869  -2.124809      8.248839  
1 1 1 -8  10  29 o 71.275  2.8245  2769.94    218.050  2704.53    289.623  2855.53    331.300  70.130  3.8274  71.935  4.2713  -1.804604      5.735272  
1 1 1 -8  10  30 o 102.580 3.3540  5767.82    372.644  5817.02    734.625  5750.78    432.405  100.987 6.7553  102.210 3.9060  -1.222588      7.803222  
1 1 1 -8  10  31 o 24.377  1.7772  324.848    46.599   322.231    47.358   404.542    261.341  24.273  1.8145  26.107  8.2542  -1.834576      8.451267  
1 1 1 -8  10  32 o 80.570  3.6686  3591.86    320.144  3268.12    615.631  3711.86    374.810  73.838  7.8167  81.503  4.2607  -7.664238      8.902474  
1 1 1 -8  10  33 o 11.977  2.2036  80.968     27.532   -190.0383  445.718  82.006     27.585   19.208  8.9199  12.057  2.1931  7.151082       9.185523  
1 1 1 -8  10  34 o 31.600  12.631  862.015    653.772  0.0000     0.0000   862.015    653.772  ?       ?       31.600  12.631  0.000000       12.63094  
1 1 1 -8  10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  11  1  o 521.106 9.8770  147333.50  5574.69  140757.59  6826.72  160495.20  9658.08  509.073 12.381  542.992 16.422  -33.91913      20.56640  
1 1 1 -8  11  2  f 492.284 8.2761  131409.09  4412.77  131341.80  6240.35  131476.41  6240.83  491.844 11.714  492.096 11.709  -0.2524719     16.56274  
1 1 1 -8  11  3  o 544.545 9.0133  160816.00  5316.05  159356.80  6137.97  165196.41  10634.56 541.935 10.457  550.765 17.827  -8.830750      20.66779  
1 1 1 -8  11  4  f 723.247 16.362  284520.00  12817.28 255240.59  18124.28 313813.00  18128.47 683.175 24.494  758.210 22.075  -75.03510      32.97362  
1 1 1 -8  11  5  o 574.019 10.968  178771.91  6818.97  178771.91  6818.97  0.0000     0.0000   574.019 10.968  ?       ?       0.000000       10.96788  
1 1 1 -8  11  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  11  8  o 613.558 10.085  204206.00  6701.67  212388.41  9478.16  196025.50  9477.04  625.252 13.996  600.604 14.568  24.64777       20.20208  
1 1 1 -8  11  9  o 132.188 2.9396  9464.30    420.868  10913.82   601.628  8075.14    588.969  141.942 3.9133  122.090 4.4539  19.85180       5.928868  
1 1 1 -8  11  10 o 210.326 4.5312  23966.03   1032.23  23055.04   1783.97  24424.53   1265.61  206.206 7.9876  212.309 5.5038  -6.103104      9.700182  
1 1 1 -8  11  11 f 46.015  3.8083  1154.91    188.099  1498.14    249.104  699.592    286.907  52.398  4.4308  35.235  7.7304  17.16384       8.910184  
1 1 1 -8  11  12 o 552.036 13.036  165759.91  7794.14  0.0000     0.0000   165759.91  7794.14  ?       ?       552.036 13.036  0.000000       13.03558  
1 1 1 -8  11  13 o 249.861 4.5720  33831.70   1237.30  33878.82   2473.68  33815.97   1428.89  249.787 9.1433  249.775 5.2818  0.1177979E-01  10.55925  
1 1 1 -8  11  14 o 182.223 3.8470  17992.81   759.263  18336.38   1846.82  17922.93   832.908  183.463 9.3248  181.858 4.2286  1.604279       10.23875  
1 1 1 -8  11  15 f 156.348 3.3747  13245.43   571.473  14273.89   1141.46  12901.42   660.167  162.184 6.4980  154.289 3.9505  7.895233       7.604646  
1 1 1 -8  11  16 o 197.265 3.8870  21091.72   830.498  21837.86   1659.79  20842.52   959.209  200.476 7.6440  196.066 4.5169  4.410172       8.878776  
1 1 1 -8  11  17 o 107.223 2.8854  6229.47    335.092  6060.23    655.334  6289.38    389.922  105.513 5.7561  107.727 3.3418  -2.213470      6.655872  
1 1 1 -8  11  18 o 249.850 4.8054  33865.33   1300.40  32342.31   3413.97  34123.81   1406.43  242.487 13.047  250.766 5.1782  -8.278976      14.03673  
1 1 1 -8  11  19 o 240.373 4.5464  31344.90   1183.65  26320.95   3066.31  32224.60   1283.09  218.536 13.013  243.692 4.8612  -25.15642      13.89180  
1 1 1 -8  11  20 o 86.141  3.0017  4021.88    280.056  4015.72    536.773  4024.18    328.279  85.781  5.8117  86.152  3.5181  -0.3717499     6.793571  
1 1 1 -8  11  21 o 57.877  3.4536  1822.89    215.510  1465.01    400.932  1968.31    255.570  51.334  7.4268  60.107  3.9476  -8.772594      8.410798  
1 1 1 -8  11  22 o 87.191  2.7621  4121.12    260.844  3820.61    411.603  4322.80    337.200  83.757  4.5543  89.272  3.4874  -5.515526      5.736191  
1 1 1 -8  11  23 o 125.615 3.2052  8560.00    436.085  9454.45    857.530  8248.00    506.462  131.727 6.0104  123.261 3.7936  8.465965       7.107483  
1 1 1 -8  11  24 o 123.874 3.2102  8329.98    430.706  8866.55    844.404  8141.29    500.744  127.399 6.1195  122.406 3.7770  4.992355       7.191220  
1 1 1 -8  11  25 o 84.342  2.7518  3861.95    251.382  3646.97    395.638  4007.49    325.542  81.672  4.4898  85.851  3.5010  -4.178787      5.693406  
1 1 1 -8  11  26 o 113.716 3.2500  7036.26    400.294  7129.27    798.004  7004.99    462.720  113.480 6.5199  113.371 3.7683  0.1095963      7.530564  
1 1 1 -8  11  27 o 92.922  3.0531  4700.52    307.280  4706.56    486.146  4696.50    396.537  92.487  4.8702  92.720  3.9486  -0.2328033     6.269802  
1 1 1 -8  11  28 o 114.829 3.2963  7196.07    409.967  6834.28    812.524  7319.63    474.842  110.325 6.8334  115.667 3.7903  -5.342697      7.814179  
1 1 1 -8  11  29 o 89.123  2.9761  4334.27    287.279  4488.49    441.837  4221.33    378.113  90.136  4.5404  87.693  3.9809  2.442749       6.038440  
1 1 1 -8  11  30 o 80.132  3.5164  3524.20    305.189  3226.15    603.036  3626.82    353.850  74.578  7.5705  81.122  4.0273  -6.543610      8.575018  
1 1 1 -8  11  31 o 36.459  2.3439  728.067    92.066   686.890    97.701   1054.44    275.061  35.368  2.5680  42.701  6.1225  -7.333576      6.639222  
1 1 1 -8  11  32 o 73.387  2.8920  2956.41    229.870  2941.09    584.379  2959.22    250.025  69.961  7.8473  73.331  3.1479  -3.370140      8.455167  
1 1 1 -8  11  33 o 29.454  2.3659  478.921    74.839   688.995    473.430  473.537    75.792   31.156  11.114  29.276  2.4117  1.880474       11.37282  
1 1 1 -8  11  34 o 26.927  11.559  469.625    605.245  0.0000     0.0000   469.625    605.245  ?       ?       26.927  11.559  0.000000       11.55896  
1 1 1 -8  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  12  2  o 422.098 8.0924  96599.05   3699.66  93982.88   4529.72  101841.20  6412.01  416.212 10.048  432.933 13.674  -16.72083      16.96911  
1 1 1 -8  12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  12  4  o 390.785 6.6904  82761.34   2831.78  84029.95   3269.55  78952.58   5665.19  393.725 7.6670  381.251 13.719  12.47397       15.71632  
1 1 1 -8  12  5  o 390.410 6.6665  82599.27   2818.96  83004.35   3254.72  81383.03   5639.64  391.323 7.6791  387.123 13.450  4.199799       15.48803  
1 1 1 -8  12  6  o 591.982 9.7546  190056.50  6254.41  186330.50  7221.64  201238.80  12510.54 585.999 11.378  607.928 19.000  -21.92938      22.14635  
1 1 1 -8  12  7  o 397.205 6.7627  85502.55   2909.40  82880.56   4114.53  88124.50   4114.48  390.919 9.7177  403.114 9.4236  -12.19495      13.53654  
1 1 1 -8  12  8  o 530.359 8.7650  152519.91  5034.89  151237.91  7120.68  153801.70  7120.13  527.787 12.456  532.253 12.351  -4.466125      17.54160  
1 1 1 -8  12  9  o 282.047 4.9802  43099.55   1521.38  44776.93   2153.01  41426.73   2150.10  287.426 6.9159  276.455 7.1806  10.97058       9.969541  
1 1 1 -8  12  10 o 174.232 4.9522  16447.55   934.542  15819.89   1320.81  17076.80   1322.48  170.832 7.1384  177.495 6.8791  -6.662872      9.913538  
1 1 1 -8  12  11 o 832.501 15.845  377372.31  14287.04 372471.59  17498.43 387172.41  24744.59 825.905 19.561  838.808 27.236  -12.90363      33.53297  
1 1 1 -8  12  12 o 83.136  6.0281  3766.25    539.116  0.0000     0.0000   3766.25    539.116  ?       ?       83.136  6.0281  0.000000       6.028146  
1 1 1 -8  12  13 o 182.452 3.6131  18035.10   714.000  16664.01   1416.69  18501.96   826.667  175.258 7.4632  184.786 4.1304  -9.527618      8.529939  
1 1 1 -8  12  14 o 81.853  2.9394  3629.62    260.592  3616.05    509.772  3634.42    303.202  81.453  5.8166  81.902  3.4179  -0.4497375     6.746462  
1 1 1 -8  12  15 o 70.774  2.4950  2713.43    191.253  2683.08    451.821  2720.05    211.098  70.069  6.0117  70.858  2.7506  -0.7890244     6.611076  
1 1 1 -8  12  16 o 328.778 5.6919  58648.29   2026.88  55387.62   4048.46  59738.96   2341.45  318.546 11.734  331.725 6.5168  -13.17947      13.42227  
1 1 1 -8  12  17 o 125.909 3.0988  8590.75    422.590  8861.48    851.265  8502.22    486.810  127.757 6.1519  125.244 3.5886  2.512054       7.122122  
1 1 1 -8  12  18 o 210.770 4.0380  24087.88   921.825  22473.04   1836.50  24631.77   1065.82  203.170 8.3457  213.096 4.6178  -9.925797      9.538065  
1 1 1 -8  12  19 o 118.625 3.0649  7626.71    393.786  7314.69    761.263  7740.70    460.130  115.879 6.0867  119.492 3.5553  -3.612755      7.048986  
1 1 1 -8  12  20 o 256.398 4.6876  35675.66   1301.77  33427.10   2596.64  36430.51   1504.49  247.347 9.6925  259.013 5.3629  -11.66666      11.07722  
1 1 1 -8  12  21 o 117.165 3.0370  7441.96    385.399  6948.42    730.952  7631.99    453.567  112.887 5.9998  118.631 3.5300  -5.743156      6.961194  
1 1 1 -8  12  22 f 46.326  4.1459  1174.16    205.827  1194.46    406.114  1167.14    238.764  46.039  8.4560  46.099  4.8550  -0.5996704E-01 9.750612  
1 1 1 -8  12  23 o 181.892 3.8901  17963.67   766.382  17044.08   1836.91  18157.47   843.281  175.739 9.6879  182.823 4.2586  -7.084457      10.58264  
1 1 1 -8  12  24 o 134.382 3.2284  9803.93    469.885  10842.86   934.051  9451.92    543.691  140.870 6.1218  131.884 3.8062  8.986740       7.208593  
1 1 1 -8  12  25 o 59.163  3.4337  1909.39    219.084  2176.09    430.613  1816.25    254.482  62.642  6.4384  57.607  4.1055  5.035301       7.635951  
1 1 1 -8  12  26 o 57.353  4.0315  1803.17    248.842  1968.39    496.658  1747.80    287.536  58.952  7.9837  56.326  4.7577  2.626095       9.293836  
1 1 1 -8  12  27 o 37.145  5.7295  777.780    223.095  1073.80    445.017  678.411    257.836  42.592  9.8440  34.297  7.1716  8.294971       12.17939  
1 1 1 -8  12  28 o 64.775  3.9184  2305.43    273.612  2208.60    530.596  2340.51    319.346  61.969  8.0991  65.104  4.5575  -3.135147      9.293365  
1 1 1 -8  12  29 o 81.089  2.9041  3586.99    255.057  3486.93    369.613  3677.96    352.410  79.492  4.3090  81.851  3.9752  -2.358559      5.862559  
1 1 1 -8  12  30 o 41.603  2.3200  945.737    104.124  1727.07    476.042  906.478    106.708  53.916  8.4277  40.709  2.4312  13.20670       8.771382  
1 1 1 -8  12  31 o 75.307  2.4116  3095.27    196.704  3041.91    311.437  3130.69    253.716  74.098  3.8942  75.546  3.1008  -1.447121      4.977891  
1 1 1 -8  12  32 o 36.712  2.0200  736.997    80.014   557.963    473.648  742.256    81.181   30.125  11.065  36.840  2.0425  -6.714571      11.25226  
1 1 1 -8  12  33 o 34.061  6.7244  713.323    239.267  465.835    480.441  794.950    275.917  27.431  10.871  35.580  7.4009  -8.149328      13.15139  
1 1 1 -8  12  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  13  1  o 222.283 4.3490  26766.62   1047.04  26792.41   1390.63  26732.86   1590.98  222.362 5.7740  222.094 6.6139  0.2673340      8.779688  
1 1 1 -8  13  2  o 337.901 5.7512  61867.57   2104.82  61244.16   2429.76  63741.97   4213.15  336.162 6.6734  342.703 11.351  -6.541779      13.16699  
1 1 1 -8  13  3  o 422.295 8.2399  96683.37   3768.86  96683.37   3768.86  0.0000     0.0000   422.295 8.2399  ?       ?       0.000000       8.239926  
1 1 1 -8  13  4  o 518.358 9.9975  145738.80  5612.95  145738.80  5612.95  0.0000     0.0000   518.358 9.9975  ?       ?       0.000000       9.997493  
1 1 1 -8  13  5  o 619.855 10.214  208403.91  6857.44  204373.00  7917.85  220501.91  13717.12 613.657 11.913  636.190 19.907  -22.53333      23.19918  
1 1 1 -8  13  6  o 670.909 11.047  244215.09  8027.68  244722.70  9269.32  242692.00  16056.67 671.400 12.747  666.933 22.228  4.466492       25.62357  
1 1 1 -8  13  7  o 392.425 6.6645  83456.04   2832.65  85376.86   4006.11  81535.47   4005.84  396.783 9.3218  387.742 9.5385  9.041504       13.33714  
1 1 1 -8  13  8  o 258.518 4.6848  36205.83   1311.76  36179.31   1856.41  36232.27   1853.82  258.376 6.6336  258.565 6.6195  -0.1894531     9.371399  
1 1 1 -8  13  9  o 473.843 9.1171  121771.60  4679.07  115741.80  8102.77  124788.30  5731.24  461.230 16.220  479.513 11.035  -18.28232      19.61777  
1 1 1 -8  13  10 o 514.627 12.148  143835.50  6771.13  149644.70  9576.11  138027.00  9575.54  524.223 16.866  503.346 17.564  20.87683       24.35052  
1 1 1 -8  13  11 o 434.024 8.0973  102164.60  3806.50  99601.93   5896.42  103995.80  4984.23  428.089 12.717  437.678 10.514  -9.588623      16.50056  
1 1 1 -8  13  12 o 183.834 5.2240  18315.38   1040.15  17796.28   1472.03  18833.04   1469.97  181.139 7.5030  186.349 7.2830  -5.209885      10.45643  
1 1 1 -8  13  13 o 191.371 3.7420  19842.46   775.631  19177.86   1546.43  20065.85   896.558  188.003 7.5944  192.431 4.3016  -4.427856      8.728057  
1 1 1 -8  13  14 o 164.896 3.4311  14732.27   612.801  15023.56   1224.92  14635.04   707.733  166.402 6.7964  164.338 3.9761  2.064117       7.874063  
1 1 1 -8  13  15 o 256.011 4.6600  35532.80   1292.15  34713.26   2580.30  35807.11   1492.82  252.618 9.4305  256.952 5.3640  -4.334412      10.84930  
1 1 1 -8  13  16 o 183.690 3.6656  18287.40   729.288  18477.99   1452.00  18223.09   843.386  184.434 7.2687  183.342 4.2471  1.091232       8.418541  
1 1 1 -8  13  17 o 328.297 5.7185  58497.52   2033.38  52994.11   4062.76  60336.81   2348.71  311.290 12.050  333.310 6.5060  -22.02029      13.69414  
1 1 1 -8  13  18 o 161.536 3.4638  14144.17   606.024  13539.16   1196.76  14352.82   702.796  157.819 7.0013  162.698 3.9882  -4.879578      8.057507  
1 1 1 -8  13  19 o 291.505 5.1859  46124.16   1637.34  43458.04   3269.57  47016.57   1891.62  281.902 10.708  294.207 5.9362  -12.30469      12.24366  
1 1 1 -8  13  20 o 211.213 4.0748  24197.51   932.177  24093.96   1850.02  24232.75   1079.19  210.265 8.1234  211.310 4.7153  -1.044647      9.392756  
1 1 1 -8  13  21 o 229.103 4.3423  28485.74   1077.50  31316.50   2148.38  27534.37   1245.47  239.544 8.2804  225.152 5.1072  14.39207       9.728807  
1 1 1 -8  13  22 o 199.732 4.2078  21655.90   910.278  22668.34   2247.20  21457.16   995.618  202.899 10.259  198.763 4.6247  4.135788       11.25318  
1 1 1 -8  13  23 o 225.475 4.2720  27619.88   1043.28  28719.84   2083.60  27251.83   1205.24  228.877 8.4051  223.841 4.9712  5.035385       9.765201  
1 1 1 -8  13  24 o 148.335 3.5815  11953.09   575.408  13003.40   1230.02  11658.84   651.038  153.939 7.3772  146.426 4.1050  7.512802       8.442436  
1 1 1 -8  13  25 o 75.461  3.1996  3094.56    261.511  3431.48    505.007  2971.11    305.689  78.911  5.9525  73.786  3.8383  5.124863       7.082670  
1 1 1 -8  13  26 o 93.976  2.9501  4801.85    300.273  4407.59    488.205  5041.74    380.822  89.552  5.0540  96.192  3.6552  -6.639427      6.237258  
1 1 1 -8  13  27 o 61.879  3.8582  2099.15    257.296  2117.47    514.747  2093.05    297.071  60.968  7.9872  61.659  4.4789  -0.6906471     9.157268  
1 1 1 -8  13  28 o 38.355  5.7845  832.755    232.831  161.385    449.332  1079.19    272.230  24.964  10.287  43.728  5.8983  -18.76438      11.85817  
1 1 1 -8  13  29 o 71.218  3.7588  2788.31    288.915  3111.96    559.190  2670.46    337.444  73.903  7.0723  69.465  4.5095  4.438499       8.387668  
1 1 1 -8  13  30 o 66.675  3.9260  2456.55    282.269  1579.16    544.550  2778.92    330.075  50.426  10.318  70.781  4.3263  -20.35451      11.18836  
1 1 1 -8  13  31 o 10.701  2.2983  64.829     25.844   84.957     36.656   44.936     36.441   12.219  2.8261  9.2968  3.0934  2.922153       4.189990  
1 1 1 -8  13  32 o 56.470  4.4183  1792.94    268.077  1954.11    521.427  1735.04    312.548  56.066  8.8828  55.105  5.3022  0.9610710      10.34488  
1 1 1 -8  13  33 o 69.222  3.8950  2697.82    290.840  2901.59    580.026  2629.38    336.154  67.808  8.0551  67.828  4.6030  -0.1937866E-01 9.277530  
1 1 1 -8  13  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  14  2  o 175.564 3.6980  16695.77   703.185  16490.67   770.154  17723.63   1724.09  174.478 4.0754  180.794 8.8046  -6.315613      9.702012  
1 1 1 -8  14  3  o 415.145 6.8533  93403.12   3081.57  93499.40   3557.77  93113.95   6165.85  415.308 7.9093  414.038 13.749  1.269714       15.86195  
1 1 1 -8  14  4  o 201.876 3.8135  22075.13   833.826  21724.76   962.302  23130.77   1670.35  200.259 4.4366  206.581 7.4653  -6.322235      8.684098  
1 1 1 -8  14  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  14  6  o 203.670 3.8812  22469.45   856.179  21739.74   1210.03  23201.07   1211.61  200.311 5.5773  206.936 5.4057  -6.625870      7.767120  
1 1 1 -8  14  7  o 102.233 2.5352  5660.67    280.724  6118.66    397.473  5204.83    396.537  106.284 3.4528  98.025  3.7349  8.259109       5.086373  
1 1 1 -8  14  8  o 558.501 9.2371  169163.50  5587.66  166193.41  7902.37  172133.20  7901.92  553.167 13.190  562.994 12.959  -9.826538      18.49028  
1 1 1 -8  14  9  o 112.035 3.2821  6798.78    398.263  6347.72    681.070  7033.16    490.951  108.075 5.8400  113.945 3.9781  -5.870056      7.066178  
1 1 1 -8  14  10 o 339.196 6.6820  62362.42   2454.84  64052.39   3007.69  58990.14   4248.71  343.691 8.0797  329.582 11.902  14.10870       14.38544  
1 1 1 -8  14  11 o 1078.76 25.229  639381.88  29478.35 672618.81  41688.62 606144.88  41688.74 1099.17 35.017  1041.84 36.944  57.33154       50.90275  
1 1 1 -8  14  12 o 218.465 5.8468  25871.30   1383.47  22760.43   1956.22  28984.05   1956.81  204.785 8.8196  231.147 7.8161  -26.36229      11.78463  
1 1 1 -8  14  13 o 151.311 3.2630  12403.40   534.763  12788.30   1069.13  12274.97   617.567  153.562 6.4280  150.517 3.7882  3.044907       7.461205  
1 1 1 -8  14  14 o 61.611  3.0110  2056.45    200.927  2005.80    381.164  2075.95    236.446  60.530  5.8885  61.796  3.5475  -1.265968      6.874558  
1 1 1 -8  14  15 o 213.491 4.0775  24703.95   942.850  24905.62   1880.74  24636.25   1089.67  214.092 8.1107  213.167 4.7196  0.9250641      9.383904  
1 1 1 -8  14  16 o 325.484 6.1183  57498.49   2156.91  57267.60   5920.78  57533.82   2316.06  322.015 17.037  325.529 6.5689  -3.513885      18.25904  
1 1 1 -8  14  17 o 187.962 3.7061  19150.90   754.506  16862.30   1500.02  19926.04   872.979  176.083 7.8652  191.702 4.2044  -15.61911      8.918447  
1 1 1 -8  14  18 o 272.055 4.8751  40155.91   1436.51  39623.53   2868.07  40334.20   1659.69  269.489 9.8260  272.575 5.6217  -3.086121      11.32055  
1 1 1 -8  14  19 o 215.181 4.1294  25112.25   962.406  23109.15   1911.86  25792.11   1113.82  205.922 8.5720  218.026 4.7167  -12.10358      9.783969  
1 1 1 -8  14  20 o 430.839 7.3412  101047.90  3425.71  107686.10  6851.04  98834.88   3955.75  441.565 14.325  425.692 8.5795  15.87289       16.69764  
1 1 1 -8  14  21 o 222.702 4.5928  26923.99   1107.83  29638.31   2838.74  26436.33   1203.24  232.251 11.285  220.623 5.0354  11.62885       12.35731  
1 1 1 -8  14  22 o 219.928 4.2091  26258.02   1002.62  27811.86   2002.75  25738.36   1158.20  225.575 8.1972  217.645 4.9132  7.930023       9.556869  
1 1 1 -8  14  23 o 83.265  3.1276  3761.15    282.059  4133.24    558.758  3633.91    326.746  86.884  5.9739  81.816  3.6872  5.068077       7.020193  
1 1 1 -8  14  24 o 96.585  2.9080  5062.60    304.214  5077.87    636.001  5058.07    346.413  96.192  6.1365  96.512  3.3139  -0.3192596     6.974122  
1 1 1 -8  14  25 o 77.362  3.0973  3251.88    259.522  3274.32    511.243  3244.09    301.218  77.010  6.1814  77.224  3.6013  -0.2139511     7.153956  
1 1 1 -8  14  26 o 55.625  4.0571  1697.29    242.749  1369.35    491.419  1803.14    279.190  48.460  9.7012  57.253  4.5394  -8.793816      10.71069  
1 1 1 -8  14  27 o ?       ?       -214.2936  26.883   -460.9582  406.089  -213.2079  26.942   17.142  8.1314  ?       ?       0.000000       8.131412  
1 1 1 -8  14  28 o 96.082  3.0260  5032.99    314.911  4900.43    518.945  5110.26    396.198  94.099  5.1109  96.635  3.7854  -2.536125      6.360044  
1 1 1 -8  14  29 o 40.904  5.5049  945.743    237.693  1896.14    463.371  606.360    276.899  57.266  7.6628  31.957  8.0143  25.30991       11.08817  
1 1 1 -8  14  30 o 43.465  1.8553  1027.04    87.341   692.873    463.423  1039.34    88.935   33.572  11.025  43.723  1.8780  -10.15094      11.18368  
1 1 1 -8  14  31 o 37.698  1.4780  771.916    60.350   1044.88    86.994   518.679    83.791   43.825  1.8327  30.711  2.5419  13.11450       3.133692  
1 1 1 -8  14  32 o 40.342  5.8057  946.988    246.373  866.279    478.622  976.083    287.369  35.790  11.149  40.477  6.7958  -4.687042      13.05688  
1 1 1 -8  14  33 o 16.531  7.0580  47.623     223.460  142.581    446.034  15.802     258.201  22.532  9.7977  16.964  7.4140  5.567297       12.28661  
1 1 1 -8  14  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  15  1  o 458.067 10.895  113846.60  5405.49  113846.60  5405.49  0.0000     0.0000   458.067 10.895  ?       ?       0.000000       10.89521  
1 1 1 -8  15  2  o 332.876 5.6906  60038.20   2051.70  59615.09   2368.37  61310.65   4107.18  331.672 6.5928  336.134 11.281  -4.462067      13.06650  
1 1 1 -8  15  3  o 310.799 6.1588  52342.28   2073.21  52342.28   2073.21  0.0000     0.0000   310.799 6.1588  ?       ?       0.000000       6.158758  
1 1 1 -8  15  4  o 195.736 3.7051  20752.46   785.481  20211.75   906.298  22384.64   1574.60  193.161 4.3319  203.230 7.1534  -10.06845      8.362814  
1 1 1 -8  15  5  o 195.132 3.4173  20624.01   722.237  19067.02   932.026  22964.24   1142.65  187.609 4.5867  205.883 5.1242  -18.27432      6.877169  
1 1 1 -8  15  6  o 596.729 9.7331  193119.80  6290.70  189160.50  8896.08  197079.70  8896.70  590.132 13.918  602.394 13.636  -12.26215      19.48451  
1 1 1 -8  15  7  o 315.428 5.4822  53907.48   1872.95  54333.54   2648.77  53481.42   2648.74  316.596 7.7245  314.102 7.7857  2.494812       10.96743  
1 1 1 -8  15  8  o 555.731 9.1905  167489.70  5531.91  167868.80  7823.58  167110.70  7823.04  555.964 12.992  554.704 13.021  1.260376       18.39423  
1 1 1 -8  15  9  o 799.034 14.966  347166.81  12952.14 324840.91  22432.37 358331.91  15863.57 769.430 26.918  811.030 18.059  -41.60016      32.41425  
1 1 1 -8  15  10 o 588.043 11.075  187727.50  7054.05  194635.80  8640.24  173918.70  12215.66 598.435 13.330  564.439 19.982  33.99591       24.01997  
1 1 1 -8  15  11 f 444.359 7.3603  107068.60  3542.43  106856.40  5010.70  107280.60  5008.81  443.634 10.428  444.517 10.403  -0.8823242     14.73009  
1 1 1 -8  15  12 o 466.168 11.110  118103.60  5609.45  116592.20  7933.96  119614.30  7931.96  462.330 15.844  468.328 15.637  -5.997131      22.26116  
1 1 1 -8  15  13 o 467.612 7.8248  118667.90  3963.05  119600.20  7925.29  118357.10  4576.29  467.960 15.636  466.831 9.0507  1.129028       18.06687  
1 1 1 -8  15  14 o 423.017 7.1732  97120.84   3286.57  95923.41   6571.30  97520.29   3795.36  418.988 14.480  423.733 8.2697  -4.744995      16.67539  
1 1 1 -8  15  15 o 105.288 2.9087  6006.09    331.704  5735.21    649.153  6101.81    385.885  102.651 5.8630  106.116 3.3574  -3.465309      6.756245  
1 1 1 -8  15  16 f 111.343 3.0392  6717.43    366.513  7336.67    709.911  6492.39    427.960  116.283 5.6366  109.449 3.6101  6.834053       6.693575  
1 1 1 -8  15  17 o 159.247 3.4422  13744.76   593.720  14555.86   1172.90  13465.33   688.438  163.697 6.6153  157.595 4.0332  6.101578       7.747833  
1 1 1 -8  15  18 o 96.433  2.8053  5039.20    293.010  4526.20    502.237  5303.91    360.771  91.187  5.1057  98.921  3.3672  -7.733925      6.116100  
1 1 1 -8  15  19 f 170.331 3.5361  15728.82   652.362  15936.07   1300.92  15659.20   754.019  171.177 7.0167  169.922 4.0970  1.255402       8.125246  
1 1 1 -8  15  20 o 127.313 3.2123  8786.67    442.961  8213.15    892.684  8974.01    510.206  122.695 6.7433  128.644 3.6617  -5.949112      7.673336  
1 1 1 -8  15  21 o 188.058 3.8023  19184.50   774.479  20336.16   1544.63  18797.74   895.130  193.175 7.3825  186.097 4.4410  7.078598       8.615292  
1 1 1 -8  15  22 o 305.783 5.8278  50878.50   1930.13  54035.63   3592.44  49597.31   2288.50  313.423 10.583  301.590 7.0059  11.83292       12.69141  
1 1 1 -8  15  23 o 139.846 3.3493  10612.80   507.313  11529.71   985.290  10282.02   591.786  145.393 6.2568  137.593 3.9710  7.800644       7.410511  
1 1 1 -8  15  24 o 129.624 3.1938  9123.01    448.392  9547.44    868.514  8968.77    523.564  132.158 6.0675  128.459 3.7630  3.699707       7.139682  
1 1 1 -8  15  25 o 121.047 3.0764  7961.67    403.334  7355.23    798.740  8169.23    467.286  115.531 6.4083  122.551 3.5204  -7.019981      7.311629  
1 1 1 -8  15  26 o 69.547  3.6625  2643.15    274.914  3366.01    545.017  2396.46    318.386  77.801  6.5281  66.062  4.4761  11.73880       7.915287  
1 1 1 -8  15  27 f 90.352  2.9742  4443.79    291.060  5642.92    646.069  4138.45    326.018  100.879 5.9392  87.114  3.4553  13.76447       6.871198  
1 1 1 -8  15  28 o 26.923  1.7168  394.990    49.802   393.437    50.834   432.066    248.395  26.866  1.7566  27.297  7.9304  -0.4305210     8.122625  
1 1 1 -8  15  29 o 37.719  5.7449  809.685    227.288  785.915    453.815  817.643    262.596  35.841  10.799  37.604  6.6926  -1.763325      12.70464  
1 1 1 -8  15  30 o 87.446  3.0402  4184.13    287.945  4595.48    643.027  4080.96    322.037  89.698  6.6664  86.235  3.4479  3.462959       7.505260  
1 1 1 -8  15  31 o 35.307  2.3437  683.054    89.115   642.575    93.956   1045.79    281.258  34.201  2.5548  42.421  6.3139  -8.219799      6.811149  
1 1 1 -8  15  32 o 37.360  1.7530  759.847    70.934   770.889    463.159  759.581    71.781   33.936  11.016  37.351  1.7743  -3.414768      11.15779  
1 1 1 -8  15  33 o 19.001  7.4957  166.439    227.418  -62.9143   465.864  238.195    260.576  20.601  9.4016  21.132  8.1113  -0.5318089     12.41709  
1 1 1 -8  15  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  16  1  f 249.693 4.4966  33774.47   1216.07  33296.22   1403.24  35217.11   2437.15  247.905 5.2261  254.856 8.8291  -6.951035      10.25989  
1 1 1 -8  16  2  o 677.418 15.840  249466.70  11621.71 253768.59  16435.31 245164.59  16435.86 681.971 22.251  670.221 22.641  11.74976       31.74470  
1 1 1 -8  16  3  o 247.044 4.5103  33061.41   1206.84  32973.79   1392.83  33325.37   2417.42  246.704 5.2126  247.915 9.0028  -1.211243      10.40298  
1 1 1 -8  16  4  o 571.510 10.821  177193.30  6698.45  177193.30  6698.45  0.0000     0.0000   571.510 10.821  ?       ?       0.000000       10.82132  
1 1 1 -8  16  5  o 35.595  2.5034  689.590    95.898   742.656    136.892  638.451    134.383  36.865  3.4692  34.132  3.6940  2.732918       5.067614  
1 1 1 -8  16  6  o 639.532 10.563  221879.59  7317.07  216586.41  10347.60 227173.50  10348.21 631.282 15.134  646.581 14.777  -15.29840      21.15125  
1 1 1 -8  16  7  o 197.943 3.7891  21223.72   812.354  20830.43   1149.30  21616.38   1148.38  196.077 5.4117  199.743 5.3082  -3.666656      7.580482  
1 1 1 -8  16  8  o 217.771 4.0174  25689.89   947.587  27351.82   1342.95  24042.06   1337.25  224.678 5.5186  210.639 5.8614  14.03896       8.050555  
1 1 1 -8  16  9  o 847.552 16.082  390884.09  14762.93 383584.09  25569.19 394534.50  18081.17 835.453 28.257  850.508 19.628  -15.05463      34.40516  
1 1 1 -8  16  10 o 150.238 3.7442  12227.14   609.270  12242.43   750.447  12197.57   1043.57  150.321 4.6093  150.014 6.4227  0.3065033      7.905498  
1 1 1 -8  16  11 o 209.808 3.9827  23847.94   905.052  23681.22   1281.21  24013.99   1278.67  209.032 5.6590  210.497 5.6084  -1.464981      7.967337  
1 1 1 -8  16  12 o 67.245  4.4379  2460.93    321.407  3081.52    499.711  2023.06    419.750  75.136  6.1957  60.739  6.4806  14.39724       8.965764  
1 1 1 -8  16  13 o 315.282 5.4929  53889.63   1875.74  54919.16   2652.97  52860.54   2652.41  318.114 7.6998  312.082 7.8470  6.031860       10.99372  
1 1 1 -8  16  14 o 245.925 4.6493  32783.81   1238.40  29076.19   3240.14  33418.07   1340.14  230.493 13.032  248.275 4.9837  -17.78204      13.95260  
1 1 1 -8  16  15 f 166.436 3.4617  15011.05   624.030  16296.69   1241.11  14576.06   721.920  173.272 6.6132  163.987 4.0645  9.284485       7.762414  
1 1 1 -8  16  16 o 289.445 5.4887  45453.05   1720.69  43952.02   4646.10  45691.66   1852.42  282.514 15.240  290.164 5.8942  -7.649811      16.34022  
1 1 1 -8  16  17 o 108.367 2.8666  6363.31    336.457  6786.66    673.699  6222.63    388.356  111.825 5.5623  107.151 3.3463  4.673485       6.491332  
1 1 1 -8  16  18 o 152.171 3.3083  12550.95   545.258  11729.59   1086.37  12827.54   630.414  146.902 6.8278  153.818 3.7840  -6.915924      7.806197  
1 1 1 -8  16  19 o 364.461 6.2843  72183.19   2480.73  72446.11   4960.03  72095.48   2864.77  363.241 12.607  364.029 7.2658  -0.7874756     14.55107  
1 1 1 -8  16  20 o 250.456 4.5992  34041.52   1247.64  35863.44   2492.93  33432.69   1441.09  256.321 8.9796  248.113 5.3626  8.207748       10.45895  
1 1 1 -8  16  21 o 200.629 4.2333  21843.95   919.912  23467.98   2288.85  21531.08   1004.62  206.917 10.213  199.143 4.6577  7.774002       11.22489  
1 1 1 -8  16  22 o 285.231 5.1244  44224.34   1583.10  44032.07   3159.33  44288.81   1829.33  283.003 10.307  285.260 5.9208  -2.257416      11.88659  
1 1 1 -8  16  23 o 91.874  3.1580  4579.70    314.250  4315.69    606.331  4676.66    367.453  88.714  6.3523  92.812  3.6553  -4.098511      7.328932  
1 1 1 -8  16  24 f 216.135 4.3826  25425.00   1025.96  24202.88   2596.44  25651.12   1116.85  207.505 11.599  216.999 4.7519  -9.494644      12.53470  
1 1 1 -8  16  25 o 85.173  3.0539  3941.96    281.722  4337.53    555.477  3804.97    326.883  88.770  5.8094  83.624  3.6090  5.146149       6.839170  
1 1 1 -8  16  26 o 136.390 3.3470  10128.31   494.436  10738.94   990.952  9925.91    570.527  139.384 6.5640  134.890 3.9050  4.494034       7.637762  
1 1 1 -8  16  27 o 114.303 3.1612  7117.42    391.364  7570.08    749.062  6947.45    458.994  116.873 5.9369  112.793 3.7571  4.080597       7.025875  
1 1 1 -8  16  28 o 44.753  4.8678  1115.99    232.151  924.406    461.281  1180.98    268.655  39.029  10.626  45.876  5.5174  -6.847118      11.97323  
1 1 1 -8  16  29 o 33.002  6.4610  631.262    222.679  881.275    447.608  549.034    256.699  37.825  10.535  30.445  7.7613  7.380470       13.08542  
1 1 1 -8  16  30 o 34.025  6.3946  674.513    227.004  665.342    450.992  677.625    262.711  32.965  10.878  33.762  7.3893  -0.7965927     13.15077  
1 1 1 -8  16  31 o 29.037  1.3934  457.838    43.824   463.871    44.431   241.804    265.873  29.228  1.4035  22.109  8.2584  7.118382       8.376814  
1 1 1 -8  16  32 o 13.202  6.1504  -167.0169  214.609  409.940    442.329  -344.6445  245.431  27.251  10.539  12.484  6.0267  14.76779       12.14053  
1 1 1 -8  16  33 o 18.641  1.5929  190.757    31.851   651.143    479.477  188.717    31.921   30.084  11.119  18.538  1.6057  11.54624       11.23456  
1 1 1 -8  16  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  17  1  o 353.268 6.0938  67622.39   2331.63  65525.68   2691.39  73930.39   4668.23  347.711 7.1464  369.102 11.677  -21.39059      13.69036  
1 1 1 -8  17  2  o 491.017 8.0521  130694.00  4282.27  130197.50  4944.04  132185.30  8568.20  490.003 9.3156  493.099 16.043  -3.096252      18.55151  
1 1 1 -8  17  3  o 377.621 7.4675  77288.49   3054.25  77288.49   3054.25  0.0000     0.0000   377.621 7.4675  ?       ?       0.000000       7.467535  
1 1 1 -8  17  4  o 406.733 6.0524  89639.07   2666.29  84136.23   3441.71  97898.88   4216.63  393.967 8.0657  424.909 9.1622  -30.94205      12.20662  
1 1 1 -8  17  5  o 465.812 7.8421  117616.30  3956.51  119458.90  5595.23  115773.60  5595.46  469.234 11.009  461.926 11.184  7.308105       15.69343  
1 1 1 -8  17  6  o 389.861 6.4622  82365.28   2728.74  81092.57   3858.56  83638.61   3859.49  386.706 9.2124  392.737 9.0731  -6.031525      12.93021  
1 1 1 -8  17  7  o 354.950 6.0181  68270.37   2313.64  67054.45   3272.12  69486.09   3271.85  351.666 8.5907  357.993 8.4382  -6.327240      12.04171  
1 1 1 -8  17  8  o 56.343  2.9158  1724.07    177.327  1382.00    295.508  1916.55    221.674  50.200  5.5265  59.382  3.4616  -9.182316      6.521107  
1 1 1 -8  17  9  o 447.411 10.623  108637.10  5147.90  103139.30  7279.50  114137.20  7280.96  435.430 15.435  458.156 14.673  -22.72623      21.29625  
1 1 1 -8  17  10 o 291.292 5.9594  45985.61   1880.18  43112.33   2303.04  51727.63   3255.71  281.981 7.5407  308.750 9.7357  -26.76886      12.31449  
1 1 1 -8  17  11 o 120.493 2.9719  7864.35    387.849  7662.85    550.908  8062.38    546.125  118.925 4.2769  121.988 4.1334  -3.062752      5.947859  
1 1 1 -8  17  12 o 147.112 3.5580  11724.83   566.918  10801.73   690.379  13636.10   993.400  141.186 4.5147  158.600 5.7830  -17.41415      7.336539  
1 1 1 -8  17  13 o 290.903 5.1225  45872.94   1614.00  46913.51   2283.07  44833.33   2282.00  294.048 7.1685  287.443 7.3298  6.605408       10.25255  
1 1 1 -8  17  14 o 129.757 3.1137  9122.07    437.603  8991.39    859.193  9167.85    508.500  128.742 6.1617  130.073 3.6094  -1.330261      7.141011  
1 1 1 -8  17  15 o 310.306 5.4286  52228.88   1824.54  49544.03   3643.95  53127.18   2107.78  301.456 11.160  312.886 6.2197  -11.43018      12.77648  
1 1 1 -8  17  16 o 309.900 5.8946  52120.47   1978.55  53517.50   5400.06  51903.85   2126.43  311.510 16.060  309.203 6.3495  2.307770       17.26928  
1 1 1 -8  17  17 f 55.153  3.3781  1654.81    200.821  2035.83    385.016  1512.41    235.375  60.954  5.9060  52.650  4.1614  8.303635       7.224810  
1 1 1 -8  17  18 o 244.309 4.6565  32379.08   1232.18  31617.51   2303.51  32684.32   1458.35  240.883 8.8291  245.376 5.4873  -4.493027      10.39535  
1 1 1 -8  17  19 o 57.956  2.4423  1819.94    153.310  1742.58    192.967  1952.36    252.456  56.612  3.1596  59.875  3.9144  -3.262630      5.030511  
1 1 1 -8  17  20 o 417.173 7.1347  94728.09   3223.74  95951.75   6446.31  94320.01   3722.68  416.696 14.283  415.914 8.2638  0.7822571      16.50143  
1 1 1 -8  17  21 o 60.435  3.5381  1987.65    230.586  1832.50    449.432  2043.09    268.638  57.524  7.3840  61.227  4.0742  -3.703651      8.433370  
1 1 1 -8  17  22 o 35.349  5.2864  694.289    196.184  639.183    380.720  714.212    228.917  33.781  9.8192  35.721  6.1379  -1.940643      11.57974  
1 1 1 -8  17  23 o 69.937  2.6442  2652.36    200.298  2545.17    276.680  2770.40    290.341  68.361  3.7511  71.328  3.7716  -2.967178      5.319408  
1 1 1 -8  17  24 o 109.133 3.0832  6466.31    364.442  7123.38    719.548  6239.59    422.666  114.024 5.8460  107.149 3.6420  6.874641       6.887626  
1 1 1 -8  17  25 o 59.112  3.5114  1907.55    223.803  2201.44    424.752  1794.61    263.321  62.994  6.3103  57.215  4.2802  5.778702       7.624932  
1 1 1 -8  17  26 o 52.295  4.2186  1503.30    236.912  1402.86    480.931  1535.48    272.235  49.122  9.3814  52.737  4.8193  -3.615162      10.54688  
1 1 1 -8  17  27 o 151.143 3.6402  12470.19   595.913  13533.26   1303.83  12189.48   669.985  155.293 7.7517  149.257 4.1444  6.035675       8.790067  
1 1 1 -8  17  28 f 38.146  5.5362  821.564    222.052  617.173    449.033  887.725    255.475  32.713  10.858  39.497  6.1741  -6.784187      12.49031  
1 1 1 -8  17  29 o 40.251  5.4065  915.702    229.744  1298.34    461.770  789.828    264.851  46.370  9.5134  36.863  6.8867  9.506603       11.74436  
1 1 1 -8  17  30 o 52.098  2.5026  1480.43    141.219  1428.92    162.030  1643.19    288.035  51.032  2.9439  54.117  4.9696  -3.084526      5.776124  
1 1 1 -8  17  31 o 66.197  3.8674  2429.76    276.082  2259.07    557.144  2485.31    317.850  61.088  8.6634  66.714  4.4239  -5.626652      9.727526  
1 1 1 -8  17  32 o 32.649  2.3340  585.720    81.993   1316.73    500.114  565.528    83.118   44.439  10.548  32.063  2.4111  12.37563       10.82050  
1 1 1 -8  17  33 o 36.425  6.4254  811.969    244.228  861.484    509.758  797.217    278.241  33.513  11.565  35.378  7.4945  -1.865246      13.78129  
1 1 1 -8  17  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  18  1  o 374.734 6.2961  76092.60   2555.41  72878.15   2949.70  85763.23   5116.24  366.691 7.4269  397.533 11.882  -30.84247      14.01258  
1 1 1 -8  18  2  o 406.477 7.9486  89561.13   3499.40  89561.13   3499.40  0.0000     0.0000   406.477 7.9486  ?       ?       0.000000       7.948557  
1 1 1 -8  18  3  f 265.752 4.7532  38259.52   1368.15  38253.03   1579.05  38279.05   2740.22  265.715 5.4867  265.686 9.5224  0.2917480E-01  10.99001  
1 1 1 -8  18  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  18  5  o 576.615 9.5853  180312.59  5986.34  177723.91  8465.73  182901.59  8466.19  572.045 13.664  580.341 13.469  -8.296509      19.18609  
1 1 1 -8  18  6  o 334.334 6.2096  60571.37   2248.61  58836.08   2955.02  62958.27   3465.71  329.431 8.2818  340.723 9.3912  -11.29184      12.52129  
1 1 1 -8  18  7  o 655.521 10.836  233164.00  7693.43  233508.00  10880.09 232820.00  10880.20 655.366 15.328  654.396 15.351  0.9699707      21.69290  
1 1 1 -8  18  8  o 604.268 11.516  198206.91  7537.36  187643.91  13053.45 203490.41  9231.92  586.446 20.551  611.937 13.929  -25.49084      24.82630  
1 1 1 -8  18  9  o 179.762 4.1162  17505.54   801.421  16963.03   980.706  18596.09   1390.46  176.938 5.1174  185.221 6.9311  -8.282425      8.615505  
1 1 1 -8  18  10 o 281.504 4.9140  42937.70   1498.27  42611.46   2119.07  43263.84   2118.69  280.358 6.9785  282.498 6.9244  -2.140289      9.830915  
1 1 1 -8  18  11 f 389.118 6.5595  82090.51   2764.55  81128.73   3910.91  83051.07   3908.42  386.608 9.3398  391.173 9.2249  -4.564392      13.12746  
1 1 1 -8  18  12 o 43.827  4.1886  1050.31    196.408  865.564    245.328  1380.11    327.781  39.523  5.9127  50.075  6.1744  -10.55203      8.548850  
1 1 1 -8  18  13 o 106.835 2.9567  6183.17    342.135  6160.03    480.842  6206.90    486.919  106.617 4.1639  107.022 4.2006  -0.4042053     5.914703  
1 1 1 -8  18  14 o 197.876 3.8228  21218.81   819.295  19783.54   1634.11  21700.74   946.907  190.855 7.9051  200.090 4.3693  -9.235107      9.032266  
1 1 1 -8  18  15 o 181.178 3.6497  17789.58   716.190  17048.11   1429.75  18037.96   827.494  177.158 7.4513  182.417 4.1882  -5.259521      8.547654  
1 1 1 -8  18  16 o 242.328 4.7642  31846.63   1250.45  31621.73   3268.80  31885.18   1353.39  240.129 12.612  242.445 5.1539  -2.316696      13.62479  
1 1 1 -8  18  17 o 63.797  3.1014  2205.66    214.303  2138.19    422.042  2229.10    248.758  62.428  6.3293  64.026  3.6018  -1.598293      7.282326  
1 1 1 -8  18  18 o 232.116 4.3066  29220.88   1082.69  31110.47   2163.92  28589.87   1250.47  239.014 8.3589  229.534 5.0299  9.479736       9.755524  
1 1 1 -8  18  19 o 351.317 6.1097  67061.59   2324.80  68403.48   4648.40  66613.98   2684.68  353.094 12.155  349.944 7.0831  3.150787       14.06791  
1 1 1 -8  18  20 o 230.658 4.5342  28872.39   1132.76  26799.05   2124.19  29696.29   1339.05  221.574 8.8512  233.838 5.2870  -12.26404      10.31005  
1 1 1 -8  18  21 f 196.172 4.0406  20881.14   858.517  19752.08   2096.79  21108.54   941.010  189.534 10.252  197.201 4.4057  -7.667404      11.15873  
1 1 1 -8  18  22 o 169.942 3.5764  15669.68   658.296  16437.52   1312.20  15411.44   760.987  173.596 6.9789  168.478 4.1703  5.117889       8.129972  
1 1 1 -8  18  23 o 35.663  5.0917  706.057    191.092  683.503    370.427  714.236    223.064  34.679  9.5559  35.718  5.9771  -1.039513      11.27125  
1 1 1 -8  18  24 o 114.249 3.1394  7087.87    388.477  7778.46    758.340  6842.17    452.336  119.284 5.8696  112.190 3.7225  7.094696       6.950524  
1 1 1 -8  18  25 o 34.204  4.8038  651.280    173.061  814.887    273.252  541.699    223.630  37.887  6.9136  30.764  6.8835  7.123339       9.756013  
1 1 1 -8  18  26 o 107.897 3.0858  6334.48    360.621  6345.19    651.525  6329.76    432.998  107.262 5.6277  107.744 3.7104  -0.4816360     6.740791  
1 1 1 -8  18  27 o 104.382 3.0827  5934.86    348.516  6281.19    731.974  5833.33    396.323  106.198 6.3935  103.390 3.5392  2.808014       7.307671  
1 1 1 -8  18  28 o 15.059  3.2725  128.542    51.850   319.659    432.447  125.754    52.226   27.059  10.433  14.888  3.3231  12.17168       10.94942  
1 1 1 -8  18  29 o 43.386  2.0258  1023.32    95.198   783.094    458.081  1034.16    97.323   35.716  10.869  43.613  2.0603  -7.896404      11.06293  
1 1 1 -8  18  30 o 15.854  3.0181  142.002    49.932   122.584    50.931   622.383    253.323  14.671  3.2868  32.312  7.3978  -17.64184      8.095090  
1 1 1 -8  18  31 f 31.128  7.0608  580.396    232.585  431.581    487.204  624.321    264.694  28.615  11.062  32.072  7.7142  -3.456831      13.48640  
1 1 1 -8  18  32 o 17.547  7.2362  86.593     222.537  463.229    468.454  -23.1721   252.893  28.241  10.867  16.517  7.2746  11.72446       13.07723  
1 1 1 -8  18  33 o 37.902  6.2085  873.144    246.047  1357.00    514.684  729.807    280.131  42.808  11.032  33.515  7.8541  9.293243       13.54187  
1 1 1 -8  18  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  1  o 387.750 7.7702  81495.35   3263.30  81495.35   3263.30  0.0000     0.0000   387.750 7.7702  ?       ?       0.000000       7.770238  
1 1 1 -8  19  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  5  o 643.364 10.632  224552.00  7408.44  226577.30  10477.06 222526.70  10477.19 645.699 14.981  639.881 15.117  5.818054       21.28291  
1 1 1 -8  19  6  o 522.908 8.7219  148260.00  4939.77  144452.70  6985.79  152067.50  6985.98  515.817 12.504  529.271 12.187  -13.45441      17.46030  
1 1 1 -8  19  7  o 568.361 9.4366  175203.00  5809.12  173055.91  8215.19  177350.20  8215.48  564.433 13.438  571.414 13.274  -6.981140      18.88882  
1 1 1 -8  19  8  o 676.679 15.798  249092.70  11578.59 242194.41  16374.09 255991.80  16375.10 665.651 22.711  684.520 22.087  -18.86957      31.67989  
1 1 1 -8  19  9  f 486.771 9.3489  128539.90  4928.97  129265.40  6037.21  127089.50  8535.87  487.936 11.424  483.168 16.311  4.768066       19.91348  
1 1 1 -8  19  10 o 784.250 12.729  334303.91  10812.52 325679.31  15291.22 342928.41  15291.21 772.571 18.274  792.916 17.805  -20.34576      25.51393  
1 1 1 -8  19  11 o 116.865 2.9008  7397.95    367.172  7771.94    522.040  7031.83    516.522  119.770 4.0243  113.923 4.1861  5.847481       5.806714  
1 1 1 -8  19  12 o 124.304 3.4785  8371.13    468.333  7819.65    574.494  9463.73    808.633  120.126 4.4155  132.125 5.6506  -11.99957      7.171193  
1 1 1 -8  19  13 o 190.859 3.7780  19738.31   780.983  20051.46   1108.88  19430.09   1100.12  192.314 5.3236  189.309 5.3654  3.004852       7.558297  
1 1 1 -8  19  14 o 182.775 3.6860  18103.15   729.698  16768.79   1032.84  19432.92   1031.06  175.843 5.4230  189.316 5.0284  -13.47243      7.395478  
1 1 1 -8  19  15 o 215.383 4.0978  25145.85   955.936  25439.19   1910.29  25047.86   1104.12  216.337 8.1526  214.928 4.7430  1.408600       9.431949  
1 1 1 -8  19  16 o 150.307 3.2900  12243.36   535.601  10781.27   1066.72  12736.20   619.327  140.876 6.9911  153.288 3.7303  -12.41130      7.924041  
1 1 1 -8  19  17 o 220.213 4.4169  26299.02   1053.50  26531.49   2697.49  26257.17   1144.39  220.029 11.358  220.010 4.8024  0.1969910E-01  12.33136  
1 1 1 -8  19  18 o 513.384 8.6361  143591.59  4802.08  149223.50  9603.80  141714.09  5545.03  518.852 17.090  509.478 10.049  9.374390       19.82490  
1 1 1 -8  19  19 o 167.918 3.5436  15286.94   644.491  15841.84   1285.32  15100.57   744.902  170.665 6.9534  166.858 4.1218  3.807556       8.083230  
1 1 1 -8  19  20 o 90.539  3.0568  4443.59    299.760  4214.46    592.023  4522.58    347.613  87.818  6.2653  91.326  3.5142  -3.507874      7.183565  
1 1 1 -8  19  21 o 335.739 5.8555  61295.78   2129.29  56177.60   4255.37  63005.27   2459.30  319.183 12.309  340.179 6.6747  -20.99649      14.00239  
1 1 1 -8  19  22 o 143.542 3.2973  11176.71   512.639  11606.43   1019.76  11031.38   593.019  145.937 6.4515  142.564 3.8405  3.372910       7.508077  
1 1 1 -8  19  23 o 111.914 3.1216  6796.18    378.379  7087.91    737.514  6691.96    440.816  113.835 6.0029  111.012 3.6662  2.823509       7.033929  
1 1 1 -8  19  24 o 72.028  2.5949  2814.89    202.441  3237.22    284.912  2384.26    287.697  77.190  3.4079  66.079  4.0392  11.11038       5.284730  
1 1 1 -8  19  25 o 137.331 3.2400  10255.24   481.928  10319.69   949.987  10232.90   559.231  136.953 6.4043  137.083 3.7665  -0.1294861     7.429815  
1 1 1 -8  19  26 o 119.923 3.2503  7829.81    422.182  8258.26    846.726  7688.06    487.041  122.063 6.4272  118.719 3.7877  3.343422       7.460273  
1 1 1 -8  19  27 o 62.158  2.6591  2101.57    179.023  2251.11    517.491  2081.24    190.804  62.887  7.7622  61.837  2.8488  1.050140       8.268480  
1 1 1 -8  19  28 o 73.364  3.5880  2943.50    285.111  2998.64    562.421  2924.43    330.761  72.653  7.2438  72.877  4.2083  -0.2240982     8.377502  
1 1 1 -8  19  29 o 100.737 3.0832  5545.23    336.401  5814.16    573.544  5404.20    415.347  102.189 5.1991  99.194  3.8660  2.995567       6.478887  
1 1 1 -8  19  30 o 21.095  2.2654  245.162    50.949   233.406    51.999   527.350    254.762  20.558  2.3793  29.628  7.8233  -9.069843      8.177132  
1 1 1 -8  19  31 f 102.102 3.1313  5722.61    346.278  6221.50    752.191  5588.45    390.069  103.788 6.7276  100.692 3.5767  3.095970       7.619218  
1 1 1 -8  19  32 o 41.955  5.5266  1020.91    245.026  1002.77    507.207  1026.43    279.847  37.915  11.415  41.612  6.4154  -3.696896      13.09412  
1 1 1 -8  19  33 o 68.039  3.9788  2623.12    291.936  1839.99    595.898  2870.43    334.876  49.711  11.321  70.851  4.3854  -21.13993      12.14051  
1 1 1 -8  19  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  20  1  o 461.333 10.802  115458.10  5397.35  115458.10  5397.35  0.0000     0.0000   461.333 10.802  ?       ?       0.000000       10.80179  
1 1 1 -8  20  2  o 358.003 7.0939  69460.76   2750.70  69103.77   3366.94  70177.23   4769.91  357.014 8.7072  359.577 12.248  -2.563080      15.02724  
1 1 1 -8  20  3  o 773.466 25.617  327189.69  21460.66 327189.69  21460.66 0.0000     0.0000   773.466 25.617  ?       ?       0.000000       25.61719  
1 1 1 -8  20  4  o 732.293 17.089  291712.41  13554.51 298308.91  19168.85 285115.91  19169.09 738.936 23.951  722.264 24.504  16.67230       34.26485  
1 1 1 -8  20  5  o 564.929 9.4908  173079.30  5807.19  174228.80  8212.43  171929.59  8212.78  566.404 13.387  562.643 13.477  3.760376       18.99551  
1 1 1 -8  20  6  o 403.765 6.8581  88355.23   2999.20  86912.73   4241.52  89797.70   4241.50  400.296 9.7830  406.896 9.6242  -6.599731      13.72340  
1 1 1 -8  20  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  20  8  o 291.855 7.2756  46174.12   2299.90  45319.04   3251.57  47030.21   3253.51  288.993 10.388  294.409 10.203  -5.415710      14.56074  
1 1 1 -8  20  9  o 536.934 10.339  156467.80  6012.76  154177.50  7364.40  161047.20  10413.57 532.688 12.764  543.601 17.687  -10.91339      21.81166  
1 1 1 -8  20  10 f 514.427 8.5667  143561.70  4773.15  142453.00  6750.71  144670.09  6749.80  511.985 12.174  515.968 12.078  -3.982758      17.14870  
1 1 1 -8  20  11 o 248.516 4.5547  33465.89   1225.99  33725.05   1735.37  33207.66   1732.25  249.404 6.4242  247.481 6.4625  1.922241       9.112282  
1 1 1 -8  20  12 o 522.409 11.336  148434.50  6414.44  147265.09  8374.85  150093.91  9976.75  519.538 14.883  523.737 17.588  -4.198792      23.03963  
1 1 1 -8  20  13 o 407.619 7.5568  90190.53   3336.28  92186.19   5163.27  88760.05   4371.40  411.458 11.586  404.023 9.9895  7.435730       15.29780  
1 1 1 -8  20  14 o 133.101 3.1367  9598.68    452.196  9170.84    642.821  10017.81   636.232  130.066 4.5631  135.946 4.3209  -5.880646      6.284285  
1 1 1 -8  20  15 o 250.575 4.5981  34043.64   1247.93  36565.77   2493.21  33200.54   1441.50  259.269 8.8785  247.399 5.3796  11.87057       10.38107  
1 1 1 -8  20  16 o 394.013 6.7183  84321.66   2867.09  83967.55   5733.40  84439.74   3310.78  391.436 13.523  394.097 7.7563  -2.660828      15.58972  
1 1 1 -8  20  17 o 61.490  3.1244  2054.35    207.403  2106.84    408.924  2036.17    240.653  61.981  6.1735  61.179  3.6484  0.8021736      7.170931  
1 1 1 -8  20  18 o 278.073 5.3183  41971.84   1601.79  40895.13   4290.92  42146.17   1726.60  272.071 14.615  278.600 5.7219  -6.529114      15.69496  
1 1 1 -8  20  19 o 177.720 3.7972  17126.86   730.926  16965.23   1747.46  17161.14   804.702  176.090 9.1941  177.874 4.1769  -1.783752      10.09845  
1 1 1 -8  20  20 o 200.402 4.1606  21788.62   903.074  21888.53   2243.62  21769.30   986.516  199.649 10.412  200.277 4.5478  -0.6286926     11.36158  
1 1 1 -8  20  21 o 197.844 4.2042  21243.46   900.904  23149.93   2234.01  20873.20   984.506  205.490 10.037  196.066 4.6360  9.423401       11.05639  
1 1 1 -8  20  22 o 106.732 3.0791  6178.26    355.949  6391.96    704.089  6104.89    412.551  108.171 6.0336  106.068 3.5911  2.102936       7.021432  
1 1 1 -8  20  23 o 229.561 4.6090  28665.22   1145.97  29198.98   2149.06  28453.14   1354.63  230.427 8.6109  228.504 5.4734  1.923096       10.20319  
1 1 1 -8  20  24 o 23.287  6.5868  305.154    173.569  515.569    332.108  226.084    203.585  30.384  9.2568  21.231  7.3099  9.152748       11.79503  
1 1 1 -8  20  25 o 79.731  3.1237  3456.19    269.753  3549.20    518.472  3421.67    315.872  80.159  6.0156  79.272  3.6789  0.8868332      7.051379  
1 1 1 -8  20  26 o 26.534  7.2193  404.355    212.999  522.262    426.191  365.101    245.913  31.062  10.579  25.588  7.9949  5.474026       13.26059  
1 1 1 -8  20  27 o 61.339  3.7880  2063.65    250.432  2280.29    507.256  1993.82    287.974  63.364  7.5391  60.142  4.4525  3.222031       8.755711  
1 1 1 -8  20  28 o 29.019  6.9567  491.141    215.818  173.491    426.575  600.421    250.202  24.612  10.069  32.031  7.3657  -7.419016      12.47530  
1 1 1 -8  20  29 o 57.025  2.4608  1771.28    151.989  1807.32    179.353  1679.45    286.281  57.468  2.8907  54.866  4.8680  2.602383       5.661617  
1 1 1 -8  20  30 o 57.091  2.5171  1778.38    155.649  1765.20    524.283  1779.66    162.998  53.837  9.3292  57.091  2.6360  -3.254368      9.694441  
1 1 1 -8  20  31 o 18.221  7.3150  112.639    220.324  -281.1991  461.723  228.755    250.708  19.529  9.0721  21.520  8.0231  -1.991100      12.11092  
1 1 1 -8  20  32 o 36.301  6.2949  783.962    238.531  659.504    498.251  820.968    271.688  31.502  11.383  36.755  7.0815  -5.253345      13.40566  
1 1 1 -8  20  33 o 23.579  8.3544  350.436    267.074  0.0000     0.0000   350.436    267.074  ?       ?       23.579  8.3544  0.000000       8.354427  
1 1 1 -8  20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  1  o 204.079 4.1421  22560.45   915.560  22079.73   995.385  25202.10   2333.37  201.887 4.5521  215.562 9.9941  -13.67473      10.98193  
1 1 1 -8  21  2  o 439.634 6.5407  104737.80  3114.49  107376.70  4020.54  100778.10  4924.88  445.048 8.3408  431.021 10.549  14.02731       13.44836  
1 1 1 -8  21  3  o 193.609 3.7309  20304.10   782.356  21657.28   1106.35  18950.56   1106.49  199.938 5.1089  187.022 5.4624  12.91629       7.479223  
1 1 1 -8  21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  6  o 359.374 6.0980  69984.36   2373.59  69324.98   3357.41  70643.23   3356.13  357.564 8.6692  360.952 8.5846  -3.388000      12.20043  
1 1 1 -8  21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  8  o 612.824 11.574  203897.41  7682.16  203357.20  9408.92  204977.80  13305.23 611.621 14.203  612.899 20.043  -1.278076      24.56532  
1 1 1 -8  21  9  o 344.286 5.9322  64239.24   2212.12  60893.17   3128.14  67586.47   3128.68  335.062 8.6197  353.024 8.1825  -17.96201      11.88496  
1 1 1 -8  21  10 o 501.963 8.3607  136688.59  4545.54  132703.00  6428.29  140674.41  6428.45  494.138 12.011  508.814 11.665  -14.67624      16.74307  
1 1 1 -8  21  11 o 469.814 9.1334  119827.10  4647.60  115925.20  8051.76  121776.70  5691.46  460.910 16.129  473.345 11.101  -12.43488      19.58014  
1 1 1 -8  21  12 o 388.004 7.6678  81696.06   3222.38  80205.91   3946.71  84675.80   5580.98  384.240 9.4833  394.248 13.070  -10.00775      16.14790  
1 1 1 -8  21  13 o 178.367 3.6395  17239.04   703.115  16315.89   996.784  18153.25   991.943  173.471 5.3052  182.990 5.0048  -9.518875      7.293406  
1 1 1 -8  21  14 o 115.825 2.9830  7268.39    374.222  7131.26    534.235  7400.50    524.364  114.699 4.3003  116.848 4.1432  -2.149109      5.971542  
1 1 1 -8  21  15 o 479.410 8.6526  125004.70  4492.88  120858.00  12753.82 125592.20  4800.62  463.157 25.522  480.393 9.2263  -17.23669      27.13888  
1 1 1 -8  21  16 o 196.998 3.8273  21037.14   816.620  20096.21   1627.98  21353.50   943.970  192.245 7.8185  198.443 4.3919  -6.198135      8.967599  
1 1 1 -8  21  17 o 177.540 3.7592  17087.90   722.875  18252.18   1374.21  16642.49   849.976  183.257 6.9234  175.172 4.4799  8.085632       8.246444  
1 1 1 -8  21  18 o 631.672 11.364  218385.80  7775.19  204417.30  14362.32 224176.59  9247.47  602.467 22.010  638.703 13.368  -36.23578      25.75143  
1 1 1 -8  21  19 o 86.832  3.0203  4086.58    284.054  4472.39    561.969  3954.19    329.206  90.557  5.7594  85.400  3.5591  5.157509       6.770410  
1 1 1 -8  21  20 o 333.642 5.8267  60502.42   2105.59  63108.16   4209.98  59633.18   2431.56  338.997 11.466  331.024 6.7820  7.972198       13.32163  
1 1 1 -8  21  21 o 47.500  2.4299  1225.99    124.593  1425.55    412.163  1205.92    130.708  50.541  7.7788  47.099  2.5720  3.441715       8.192935  
1 1 1 -8  21  22 o 90.841  3.1219  4475.85    307.162  5148.80    596.112  4232.58    358.405  97.091  5.6935  88.307  3.7472  8.783859       6.815994  
1 1 1 -8  21  23 o 49.642  2.2886  1336.08    123.051  1245.62    404.994  1345.28    129.157  46.951  8.2659  49.810  2.3940  -2.858650      8.605566  
1 1 1 -8  21  24 o 157.214 3.4269  13432.11   583.530  13793.74   1161.70  13310.08   674.843  158.514 6.7664  156.402 3.9837  2.112366       7.852005  
1 1 1 -8  21  25 o 114.582 3.1509  7139.10    391.044  8427.03    792.329  6724.37    449.618  123.857 5.9063  111.112 3.7360  12.74495       6.988722  
1 1 1 -8  21  26 o 58.284  3.8755  1862.04    243.253  1805.26    495.207  1880.09    279.268  56.166  8.3982  58.457  4.4440  -2.291309      9.501563  
1 1 1 -8  21  27 o 79.328  2.8124  3425.32    241.644  3530.28    352.432  3332.21    331.958  80.212  4.0700  77.955  3.9444  2.257515       5.667727  
1 1 1 -8  21  28 o 42.975  1.7207  1002.51    80.095   1045.90    84.634   630.253    247.893  43.892  1.7803  32.868  7.1656  11.02409       7.383400  
1 1 1 -8  21  29 o 43.685  4.6889  1066.84    218.387  837.737    370.303  1189.02    270.421  37.128  9.2440  45.869  5.5565  -8.740448      10.78550  
1 1 1 -8  21  30 o 35.772  5.6382  734.738    211.216  179.837    480.745  867.472    235.124  25.161  10.527  38.887  5.7564  -13.72540      11.99825  
1 1 1 -8  21  31 o 50.254  4.6586  1420.69    250.688  1815.94    521.883  1302.13    285.823  54.229  9.2151  47.681  5.6440  6.547497       10.80612  
1 1 1 -8  21  32 o 39.675  5.8114  923.353    242.323  652.353    504.141  1004.78    276.340  31.282  11.427  41.086  6.4198  -9.804764      13.10702  
1 1 1 -8  21  33 o 22.211  2.6684  276.136    62.907   0.0000     0.0000   276.136    62.907   ?       ?       22.211  2.6684  0.000000       2.668386  
1 1 1 -8  21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  22  1  o 404.133 6.6580  88508.02   2914.32  87833.81   3364.38  90534.42   5832.70  402.544 7.7165  408.330 13.188  -5.785858      15.27990  
1 1 1 -8  22  2  o 284.153 5.1997  43744.67   1600.31  40808.83   2262.60  46683.49   2263.75  274.387 7.6133  293.490 7.1214  -19.10226      10.42481  
1 1 1 -8  22  3  o 102.054 2.5425  5640.87    281.041  5616.49    396.623  5665.46    398.286  101.828 3.5962  102.271 3.5956  -0.4429626     5.085343  
1 1 1 -8  22  4  o 399.013 6.9137  86286.62   2987.93  81082.76   4224.98  91493.40   4226.17  386.629 10.089  410.738 9.4997  -24.10886      13.85780  
1 1 1 -8  22  5  o 349.802 5.8747  66302.17   2225.76  67284.97   3147.50  65319.12   3147.91  352.288 8.2489  347.098 8.3734  5.190369       11.75404  
1 1 1 -8  22  6  o 796.168 18.490  345273.41  15944.32 327227.69  22548.25 363320.41  22549.09 772.582 26.946  814.573 25.558  -41.99109      37.13915  
1 1 1 -8  22  7  o 599.907 11.478  195361.30  7458.07  191303.41  12915.64 197391.20  9134.99  592.190 20.137  602.669 13.995  -10.47961      24.52199  
1 1 1 -8  22  8  o 603.963 11.528  198053.20  7541.13  197899.50  9236.38  198360.41  13060.44 603.337 14.134  602.871 20.002  0.4662476      24.49156  
1 1 1 -8  22  9  o 474.992 7.9307  122352.30  4080.07  118178.00  5769.80  126527.40  5770.37  466.475 11.420  482.718 11.037  -16.24277      15.88155  
1 1 1 -8  22  10 o 367.849 6.2681  73353.59   2497.31  68605.20   3531.50  78103.23   3531.97  355.539 9.1707  379.402 8.5950  -23.86377      12.56886  
1 1 1 -8  22  11 o 498.148 9.5630  134761.80  5159.68  135689.41  8939.00  134298.41  6318.53  498.475 16.557  496.940 11.739  1.535278       20.29624  
1 1 1 -8  22  12 o 59.640  3.7247  1934.73    239.394  2460.20    287.576  748.641    432.050  67.265  3.9648  36.653  10.401  30.61158       11.13086  
1 1 1 -8  22  13 o 388.607 6.5545  81936.66   2758.80  81710.91   3902.67  82162.16   3900.41  387.703 9.2938  388.777 9.2627  -1.073975      13.12144  
1 1 1 -8  22  14 o 405.737 6.9617  89375.69   3059.37  87445.52   4328.01  91303.35   4325.20  400.805 9.9698  409.597 9.7494  -8.791595      13.94445  
1 1 1 -8  22  15 o 145.955 3.7796  11546.30   597.498  9964.15    1141.59  12143.24   701.214  135.176 7.8307  149.661 4.3258  -14.48460      8.946131  
1 1 1 -8  22  16 o 468.068 7.8867  119145.90  3998.27  126604.40  7996.71  116659.90  4616.77  479.684 15.392  462.806 9.2102  16.87726       17.93690  
1 1 1 -8  22  17 o 455.815 7.6998  113019.60  3801.35  124294.60  7602.54  109261.00  4389.45  475.187 14.771  447.792 9.0503  27.39505       17.32354  
1 1 1 -8  22  18 o 182.763 3.6501  18109.13   722.549  17116.58   1443.00  18441.27   834.733  177.365 7.5115  184.399 4.1794  -7.033783      8.595939  
1 1 1 -8  22  19 o 125.320 3.1225  8512.78    423.833  8239.67    845.929  8604.32    489.737  122.953 6.3741  125.973 3.5893  -3.020004      7.315197  
1 1 1 -8  22  20 o 249.301 4.5916  33735.62   1239.81  34186.53   2478.15  33585.08   1431.89  250.110 9.1480  248.647 5.3169  1.462769       10.58088  
1 1 1 -8  22  21 o 197.499 4.0890  21169.33   874.685  22433.48   1652.82  20677.57   1030.87  202.789 7.5251  195.102 4.8783  7.686722       8.967974  
1 1 1 -8  22  22 o 74.910  2.6709  3042.51    216.708  2964.10    313.839  3113.97    299.598  73.783  3.9414  75.746  3.6518  -1.962959      5.373128  
1 1 1 -8  22  23 o 189.741 4.0176  19567.30   825.659  19213.26   2005.27  19639.58   906.024  186.037 9.9884  190.022 4.4022  -3.985306      10.91543  
1 1 1 -8  22  24 o 132.676 3.2591  9564.28    468.338  9163.91    969.468  9686.16    534.894  128.938 6.9678  133.456 3.7005  -4.517914      7.889515  
1 1 1 -8  22  25 o 83.718  2.7658  3807.88    250.787  3928.06    388.900  3722.33    328.128  84.846  4.2319  82.672  3.6645  2.174065       5.597991  
1 1 1 -8  22  26 o 80.776  2.8095  3548.21    245.800  3769.88    363.808  3362.04    333.405  83.076  4.0432  78.473  3.9227  4.602631       5.633379  
1 1 1 -8  22  27 o 52.907  4.3123  1544.21    244.959  1723.36    501.399  1488.04    280.745  54.455  8.8014  51.747  5.0744  2.708027       10.15942  
1 1 1 -8  22  28 o 9.5851  2.4945  51.853     26.147   -267.6656  431.430  53.031     26.196   19.394  8.9239  9.6889  2.4844  9.705383       9.263232  
1 1 1 -8  22  29 o 35.480  6.1266  724.919    226.925  1020.74    469.491  634.742    259.216  40.474  10.588  32.742  7.4740  7.731522       12.96040  
1 1 1 -8  22  30 o 58.203  4.1320  1881.65    258.790  1461.54    537.184  2008.63    295.319  48.029  10.609  59.975  4.5808  -11.94647      11.55613  
1 1 1 -8  22  31 o 23.069  7.6465  305.834    222.735  612.319    470.804  217.456    252.817  31.438  11.097  21.268  8.0308  10.17037       13.69828  
1 1 1 -8  22  32 o 32.414  1.2806  570.882    44.961   137.387    476.078  574.783    45.163   23.478  10.166  32.525  1.2820  -9.046978      10.24605  
1 1 1 -8  22  33 o 42.769  6.3782  1120.10    286.428  0.0000     0.0000   1120.10    286.428  ?       ?       42.769  6.3782  0.000000       6.378214  
1 1 1 -8  22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  23  1  o 207.094 3.6216  23230.71   812.347  23673.12   1048.32  22565.81   1285.19  209.043 4.6301  204.076 5.8144  4.967072       7.432703  
1 1 1 -8  23  2  o 405.702 7.3831  89212.13   3244.27  87076.48   5017.65  90746.34   4252.81  400.570 11.565  409.056 9.5989  -8.486206      15.02971  
1 1 1 -8  23  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  23  4  o 537.433 8.7537  156611.70  5095.51  150067.09  7205.70  163157.91  7206.57  525.731 12.654  548.239 12.136  -22.50781      17.53357  
1 1 1 -8  23  5  o 277.787 5.5766  41810.62   1677.85  38902.61   2902.03  43270.79   2056.39  267.799 10.005  282.563 6.7192  -14.76349      12.05199  
1 1 1 -8  23  6  o 678.825 12.878  250268.50  9468.54  243761.41  16397.65 253523.41  11597.38 667.931 22.666  682.751 15.683  -14.82031      27.56290  
1 1 1 -8  23  7  o 113.546 4.0006  6984.12    492.002  7027.53    686.404  6938.25    705.585  113.882 5.5648  113.006 5.7841  0.8762665      8.026399  
1 1 1 -8  23  8  o 310.737 6.2598  52331.97   2106.80  50298.22   2580.01  56402.15   3649.88  304.571 7.8210  322.367 10.453  -17.79578      13.05533  
1 1 1 -8  23  9  o 477.263 8.0246  123537.30  4148.12  119622.90  5865.98  127452.60  5866.69  469.271 11.541  484.431 11.181  -15.15955      16.06913  
1 1 1 -8  23  10 o 599.879 9.8687  195395.41  6412.04  186976.80  9068.02  203813.91  9067.96  585.968 14.288  611.922 13.682  -25.95428      19.78220  
1 1 1 -8  23  11 f 21.907  6.5106  263.326    165.793  549.085    303.578  141.872    197.914  31.337  8.6573  18.935  7.1149  12.40184       11.20581  
1 1 1 -8  23  12 o 323.965 6.4927  56928.30   2278.21  58220.78   2791.34  54349.54   3942.82  327.499 7.8692  316.002 11.520  11.49762       13.95105  
1 1 1 -8  23  13 o 460.637 7.7179  115220.80  3850.57  115623.00  5445.91  114818.80  5445.15  460.819 10.911  459.205 10.948  1.613739       15.45672  
1 1 1 -8  23  14 o 211.143 4.0380  24163.98   923.450  23666.20   1307.99  24658.66   1303.93  208.862 5.7820  213.205 5.6466  -4.343170      8.081760  
1 1 1 -8  23  15 o 137.659 3.1894  10268.71   475.533  10353.03   674.232  10185.25   670.792  138.182 4.5049  137.057 4.5187  1.124786       6.380715  
1 1 1 -8  23  16 o 146.591 3.2334  11645.74   513.379  11774.49   1028.40  11603.00   592.484  147.242 6.4485  146.304 3.7389  0.9380646      7.454067  
1 1 1 -8  23  17 o 135.548 3.1502  9957.60    462.486  11026.16   924.326  9600.75    534.158  142.495 5.9890  133.078 3.7059  9.417053       7.042877  
1 1 1 -8  23  18 o 215.017 4.2436  25075.18   988.266  23976.85   1859.44  25507.58   1166.69  209.823 8.1820  216.802 4.9685  -6.978622      9.572394  
1 1 1 -8  23  19 o 220.332 4.4167  26338.67   1054.01  26692.60   2692.84  26274.64   1145.39  220.401 11.319  220.026 4.8063  0.3748169      12.29684  
1 1 1 -8  23  20 o 196.997 3.8637  21051.31   824.393  22525.92   1648.81  20559.79   951.922  203.316 7.4874  194.624 4.5158  8.691803       8.743730  
1 1 1 -8  23  21 o 30.394  5.8922  519.640    186.968  318.989    360.222  593.626    218.739  26.603  9.6683  32.455  6.4498  -5.852240      11.62221  
1 1 1 -8  23  22 o 19.506  6.7232  188.185    172.242  23.828     334.529  247.473    200.921  20.667  8.7216  21.863  7.2632  -1.195374      11.34993  
1 1 1 -8  23  23 o 192.421 3.8360  20120.25   799.472  18885.33   1593.55  20535.63   924.197  185.386 7.9363  194.294 4.3917  -8.908096      9.070387  
1 1 1 -8  23  24 o 102.716 3.0173  5730.42    335.678  4988.48    660.769  5988.50    389.712  95.133  6.4509  104.960 3.4281  -9.826302      7.305215  
1 1 1 -8  23  25 f 125.992 3.1866  8634.33    434.849  9455.05    891.795  8378.32    498.073  131.019 6.2844  124.014 3.7081  7.004631       7.296809  
1 1 1 -8  23  26 o 30.468  6.5530  533.069    209.829  688.705    449.845  489.791    237.215  34.548  10.816  29.096  7.4845  5.451210       13.15329  
1 1 1 -8  23  27 o 80.640  3.4290  3549.55    299.491  4107.85    609.533  3371.88    343.861  85.602  6.6258  78.370  4.0650  7.232285       7.773389  
1 1 1 -8  23  28 o 69.278  3.5976  2633.18    269.018  2231.42    563.176  2751.95    306.212  61.864  8.6408  70.716  4.0145  -8.852211      9.527866  
1 1 1 -8  23  29 o 73.363  3.5268  2951.41    280.236  4125.49    586.760  2604.46    318.965  85.320  6.3960  68.576  4.3164  16.74357       7.716258  
1 1 1 -8  23  30 o 67.920  3.8592  2552.11    282.727  2878.05    573.116  2447.27    325.029  70.057  7.6789  66.230  4.5588  3.826965       8.930155  
1 1 1 -8  23  31 o 34.427  6.4539  699.622    231.810  1536.50    486.011  453.170    263.743  49.571  9.3959  27.290  8.2348  22.28161       12.49381  
1 1 1 -8  23  32 f 17.450  7.2123  89.157     221.749  -535.7549  466.363  271.714    252.066  17.221  8.3124  22.088  8.0784  -4.866837      11.59122  
1 1 1 -8  23  33 o 17.422  7.5168  56.422     258.448  0.0000     0.0000   56.422     258.448  ?       ?       17.422  7.5168  0.000000       7.516782  
1 1 1 -8  23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  24  1  o 354.424 5.8482  68064.54   2244.99  68933.00   3175.10  67196.30   3174.68  356.584 8.2210  352.059 8.3256  4.525330       11.70044  
1 1 1 -8  24  2  o 643.536 15.064  225084.50  10500.11 223876.30  14849.20 226292.80  14849.58 640.639 21.400  644.112 21.285  -3.473022      30.18347  
1 1 1 -8  24  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  24  4  o 225.821 4.7120  27626.59   1152.51  26796.97   1628.91  28458.20   1630.87  222.362 6.7634  229.155 6.5708  -6.793625      9.429725  
1 1 1 -8  24  5  o 682.028 12.749  252604.50  9417.52  235051.80  16308.25 261386.41  11535.25 655.884 22.957  693.351 15.360  -37.46698      27.62164  
1 1 1 -8  24  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  24  7  o 548.940 10.381  163523.09  6172.25  164135.30  7559.74  162299.00  10689.80 549.688 12.698  545.747 18.085  3.940552       22.09704  
1 1 1 -8  24  8  o 324.235 5.6236  56970.13   1974.91  56303.59   2792.79  57636.80   2793.09  322.223 8.0022  326.021 7.9099  -3.797668      11.25175  
1 1 1 -8  24  9  o 370.474 6.7116  74409.41   2693.10  73211.26   3535.02  76066.65   4157.48  367.329 8.8852  374.305 10.255  -6.976410      13.56875  
1 1 1 -8  24  10 o 248.693 4.4447  33512.87   1197.23  31165.45   1691.95  35866.93   1694.34  239.749 6.5157  257.217 6.0818  -17.46861      8.913048  
1 1 1 -8  24  11 o 203.042 4.4173  22340.60   971.445  24465.60   1697.38  21305.51   1184.65  212.357 7.3798  198.247 5.5171  14.10974       9.214084  
1 1 1 -8  24  12 o 289.417 5.9293  45424.76   1858.65  44786.01   2276.55  46701.67   3218.78  287.271 7.3167  293.066 10.140  -5.794647      12.50450  
1 1 1 -8  24  13 o 216.623 4.0966  25432.61   961.158  25524.99   1361.37  25340.79   1357.21  216.930 5.7941  216.146 5.7973  0.7843170      8.196389  
1 1 1 -8  24  14 f 185.182 3.6739  18584.72   736.881  18368.51   1044.55  18798.93   1039.68  184.033 5.2404  186.181 5.1558  -2.148117      7.351464  
1 1 1 -8  24  15 o 271.120 4.8540  39864.92   1425.37  39681.10   2017.51  40048.10   2014.06  270.295 6.8914  271.547 6.8479  -1.252014      9.715179  
1 1 1 -8  24  16 o 284.194 5.0240  43815.76   1546.44  48664.94   3095.79  42203.41   1785.12  298.821 9.5651  278.822 5.9111  19.99939       11.24422  
1 1 1 -8  24  17 o 296.765 5.4623  47804.22   1755.72  47132.80   3271.44  48075.84   2080.77  293.815 10.280  297.471 6.4582  -3.655396      12.14032  
1 1 1 -8  24  18 o 196.581 4.0034  20956.43   852.394  19241.04   2108.28  21291.62   931.962  187.342 10.432  198.123 4.3430  -10.78075      11.29951  
1 1 1 -8  24  19 o 68.402  3.1313  2536.24    231.985  2500.14    462.834  2548.35    268.093  67.513  6.4062  68.459  3.6286  -0.9459152     7.362509  
1 1 1 -8  24  20 o 107.533 3.0764  6268.83    358.304  5897.71    704.975  6398.09    416.047  103.938 6.2919  108.618 3.5365  -4.679726      7.217665  
1 1 1 -8  24  21 f 70.234  3.1902  2675.09    242.677  2712.34    485.204  2662.67    280.249  70.281  6.4459  69.955  3.7120  0.3250580      7.438351  
1 1 1 -8  24  22 o 36.422  1.2951  718.627    51.089   614.869    73.838   813.922    70.762   33.622  2.0372  38.758  1.6856  -5.136593      2.644199  
1 1 1 -8  24  23 o 92.815  2.8251  4674.30    283.999  4332.16    480.194  4858.36    352.199  89.033  4.9998  94.581  3.4381  -5.548065      6.067847  
1 1 1 -8  24  24 o 110.437 3.0387  6625.20    363.478  6237.02    717.906  6759.01    421.494  106.450 6.2541  111.492 3.4904  -5.042030      7.162175  
1 1 1 -8  24  25 o 72.655  3.3044  2872.53    260.033  3550.10    566.007  2691.27    292.757  79.943  6.5958  70.158  3.8676  9.784721       7.646069  
1 1 1 -8  24  26 o 109.871 3.2709  6575.47    389.240  6039.44    780.045  6753.19    449.156  104.024 6.9635  111.249 3.7276  -7.225014      7.898462  
1 1 1 -8  24  27 o 32.496  6.2916  605.918    213.438  200.818    459.467  717.391    241.022  25.790  10.489  35.365  6.5330  -9.575037      12.35680  
1 1 1 -8  24  28 o 42.311  4.9720  1001.80    223.508  1432.68    479.838  882.406    252.583  49.024  9.3785  39.342  6.1271  9.682102       11.20255  
1 1 1 -8  24  29 o 33.729  6.2246  658.638    219.019  754.789    469.749  631.931    247.576  34.960  11.068  32.723  7.1823  2.237198       13.19395  
1 1 1 -8  24  30 o 77.628  3.6085  3317.01    303.400  3829.00    613.928  3151.57    348.995  81.338  7.0380  75.301  4.2969  6.037849       8.246052  
1 1 1 -8  24  31 f 52.360  2.5549  1499.41    144.890  2285.98    530.911  1436.11    150.607  61.568  8.1628  51.138  2.7290  10.42986       8.606910  
1 1 1 -8  24  32 o 44.644  5.1963  1154.17    246.563  1028.32    512.543  1192.06    281.243  37.656  11.506  44.962  5.9190  -7.306309      12.93887  
1 1 1 -8  24  33 o 42.995  6.3697  1132.87    287.650  0.0000     0.0000   1132.87    287.650  ?       ?       42.995  6.3697  0.000000       6.369688  
1 1 1 -8  24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  25  1  o 433.574 7.5884  101898.30  3563.57  103758.30  5515.27  100565.30  4669.06  437.239 11.646  430.581 10.012  6.658264       15.35782  
1 1 1 -8  25  2  o 223.202 4.3500  26987.86   1051.61  25947.86   1397.67  28344.81   1596.51  218.831 5.8969  228.703 6.4451  -9.871643      8.735718  
1 1 1 -8  25  3  o 642.300 14.922  224229.50  10380.94 207070.80  14679.64 241393.91  14682.09 615.926 22.005  665.389 20.372  -49.46338      29.98740  
1 1 1 -8  25  4  o 422.229 7.4895  96637.46   3425.10  79130.01   5926.96  105415.60  4196.82  381.595 14.340  440.911 8.7882  -59.31616      16.81895  
1 1 1 -8  25  5  o 612.095 11.568  203371.50  7668.83  188678.30  13279.21 210724.09  9393.64  588.033 20.850  622.736 13.927  -34.70319      25.07338  
1 1 1 -8  25  6  o 705.219 16.460  270670.50  12572.40 266715.50  17779.61 274625.81  17780.50 698.255 23.509  708.637 23.166  -10.38190      33.00523  
1 1 1 -8  25  7  o 161.747 3.8208  14172.19   669.369  14131.37   821.024  14253.10   1155.96  161.502 4.6936  162.162 6.5815  -0.6600952     8.083676  
1 1 1 -8  25  8  o 649.684 10.634  229151.80  7482.86  221893.41  10581.83 236411.59  10582.90 638.464 15.302  659.124 14.824  -20.65985      21.30516  
1 1 1 -8  25  9  o 246.263 4.4309  32859.02   1181.85  32157.99   1670.38  33561.75   1672.40  243.558 6.3320  248.822 6.2055  -5.264191      8.865849  
1 1 1 -8  25  10 o 543.110 8.9721  160121.41  5277.77  157583.50  7463.60  162659.70  7464.19  538.126 12.805  546.766 12.604  -8.639832      17.96778  
1 1 1 -8  25  11 o 267.907 5.5419  38910.86   1608.11  40449.91   2790.24  38145.39   1967.80  272.879 9.4406  265.185 6.8511  7.694275       11.66463  
1 1 1 -8  25  12 o 498.882 9.6711  135303.20  5225.68  134093.41  6400.08  137723.00  9051.26  496.154 11.910  501.429 16.666  -5.274689      20.48396  
1 1 1 -8  25  13 o 384.894 6.5929  80397.41   2748.46  77626.81   3887.44  83166.48   3886.38  377.773 9.5009  391.078 9.1751  -13.30508      13.20790  
1 1 1 -8  25  14 o 111.247 2.8777  6705.30    346.742  7331.04    492.971  6092.60    487.804  116.300 3.9136  106.014 4.2483  10.28549       5.776130  
1 1 1 -8  25  15 o 59.758  3.0528  1940.11    196.930  2034.81    288.876  1857.89    269.170  61.103  4.3943  58.381  4.2868  2.721428       6.138931  
1 1 1 -8  25  16 o 244.814 4.7424  32508.94   1257.48  32421.33   2355.10  32543.88   1487.22  243.993 8.9117  244.868 5.6076  -0.8745270     10.52917  
1 1 1 -8  25  17 o 355.492 6.1402  68640.30   2364.21  72867.00   4729.12  67231.97   2729.81  364.776 11.970  351.639 7.1675  13.13708       13.95156  
1 1 1 -8  25  18 o 205.150 3.9275  22822.47   872.683  22188.82   1744.03  23034.13   1007.95  201.863 7.9768  206.055 4.5163  -4.192001      9.166551  
1 1 1 -8  25  19 o 279.139 5.0002  42300.66   1511.73  42387.73   3022.58  42271.61   1745.77  278.399 10.024  278.929 5.7786  -0.5295410     11.57030  
1 1 1 -8  25  20 o 140.550 3.3248  10711.48   506.129  10477.76   1097.89  10774.56   570.351  138.479 7.3461  140.940 3.7363  -2.460983      8.241693  
1 1 1 -8  25  21 o 184.932 3.7209  18556.98   745.303  18727.91   1489.40  18499.88   860.835  185.248 7.4231  184.587 4.3058  0.6610870      8.581507  
1 1 1 -8  25  22 o 42.668  1.9738  986.632    91.219   1500.82    375.496  954.384    94.036   51.987  6.8343  41.964  2.0690  10.02382       7.140561  
1 1 1 -8  25  23 o 42.037  4.2028  970.702    188.792  1017.76    367.215  953.797    220.109  42.282  8.3148  41.544  4.9916  0.7376633      9.698059  
1 1 1 -8  25  24 f 38.548  4.5140  821.207    184.897  1183.57    351.599  682.691    217.382  45.785  7.3379  34.817  5.9800  10.96852       9.465980  
1 1 1 -8  25  25 o 41.203  1.9389  920.969    86.527   932.750    92.762   842.082    240.047  41.461  2.0657  38.705  5.9138  2.756195       6.264161  
1 1 1 -8  25  26 o 44.073  2.0608  1054.42    98.372   1070.52    106.909  965.535    251.233  44.344  2.2331  41.474  5.7472  2.869450       6.165836  
1 1 1 -8  25  27 o 123.219 3.2549  8283.10    434.395  9000.72    882.745  8053.80    498.994  126.947 6.4412  121.341 3.7968  5.605545       7.476969  
1 1 1 -8  25  28 o 19.939  7.3475  185.001    209.074  -60.6204   435.460  258.582    238.342  21.642  9.5382  22.410  7.8974  -0.7674541     12.38330  
1 1 1 -8  25  29 o 41.450  5.1678  969.849    226.966  926.359    484.454  982.079    256.905  38.343  11.057  41.473  5.8842  -3.129803      12.52481  
1 1 1 -8  25  30 o 67.222  3.8307  2500.55    277.751  2306.03    564.881  2562.58    318.974  61.940  8.6567  67.840  4.3643  -5.899986      9.694587  
1 1 1 -8  25  31 o 40.142  2.2562  882.229    97.697   1323.89    503.645  864.960    99.589   45.024  10.518  39.732  2.3243  5.291832       10.77152  
1 1 1 -8  25  32 o 17.494  7.2262  93.432     222.427  -322.0417  473.098  211.328    252.017  18.787  8.8714  20.618  7.9603  -1.830732      11.91922  
1 1 1 -8  25  33 o 33.967  2.1051  635.135    77.064   0.0000     0.0000   635.135    77.064   ?       ?       33.967  2.1051  0.000000       2.105084  
1 1 1 -8  25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  26  1  o 235.023 4.8400  29924.56   1232.04  27291.64   2127.72  31252.65   1511.15  224.348 8.7563  240.161 5.8095  -15.81345      10.50822  
1 1 1 -8  26  2  o 577.421 16.069  181329.91  10049.45 0.0000     0.0000   181329.91  10049.45 ?       ?       577.421 16.069  0.000000       16.06865  
1 1 1 -8  26  3  o 143.647 3.5517  11176.99   552.597  10866.45   945.580  11338.06   680.987  141.607 6.1651  144.671 4.3460  -3.063416      7.542974  
1 1 1 -8  26  4  o 589.033 11.177  188301.20  7130.60  177613.80  12346.88 193649.59  8734.46  570.729 19.974  597.044 13.507  -26.31488      24.11193  
1 1 1 -8  26  5  o 351.687 8.5634  67069.16   3261.91  67745.19   4612.48  66392.80   4613.60  353.227 12.056  349.674 12.182  3.552979       17.13898  
1 1 1 -8  26  6  o 458.338 8.9460  113938.20  4441.02  113245.50  5439.72  115322.70  7690.38  456.767 10.995  460.429 15.421  -3.662323      18.93962  
1 1 1 -8  26  7  o 616.196 11.702  206204.80  7809.81  206083.59  9565.45  206446.91  13525.78 615.581 14.347  614.825 20.311  0.7564087      24.86726  
1 1 1 -8  26  8  o 581.664 9.6198  183618.59  6060.51  181949.91  8570.52  185287.50  8571.19  578.382 13.681  583.685 13.558  -5.303406      19.26110  
1 1 1 -8  26  9  o 411.458 6.9067  91800.87   3077.96  90540.09   4352.67  93061.91   4353.12  408.353 9.8412  414.015 9.7077  -5.662354      13.82347  
1 1 1 -8  26  10 o 140.291 3.2098  10661.98   487.725  10332.96   670.911  11030.74   710.265  138.088 4.4858  142.672 4.5963  -4.584152      6.422487  
1 1 1 -8  26  11 o 212.470 4.6668  24466.80   1073.95  23885.19   1864.08  24755.77   1313.93  209.756 8.2050  213.680 5.6773  -3.924240      9.977677  
1 1 1 -8  26  12 o 357.888 7.1264  69515.73   2762.42  70408.27   3383.38  67730.98   4784.34  359.989 8.6774  352.461 12.533  7.528351       15.24349  
1 1 1 -8  26  13 o 223.780 4.1976  27143.53   1017.40  26659.86   1441.90  27623.08   1435.76  221.674 6.0055  225.652 5.8745  -3.977798      8.400962  
1 1 1 -8  26  14 o 302.190 5.3327  49533.41   1745.40  51276.34   2469.93  47794.91   2466.80  307.229 7.4226  296.583 7.6792  10.64548       10.68012  
1 1 1 -8  26  15 o 215.199 4.0715  25106.64   949.004  26671.49   1344.93  23554.95   1339.27  221.698 5.6010  208.317 5.9357  13.38089       8.161149  
1 1 1 -8  26  16 o 290.019 5.9134  45665.75   1857.51  44365.93   3214.89  46317.13   2275.84  285.107 10.411  291.903 7.1984  -6.795319      12.65711  
1 1 1 -8  26  17 o 151.559 3.3213  12450.37   545.208  13938.07   1092.69  11957.21   629.116  160.177 6.2983  148.502 3.9114  11.67511       7.414032  
1 1 1 -8  26  18 o 315.605 5.5482  54086.66   1896.55  55848.40   3791.59  53498.79   2190.23  319.466 10.958  313.738 6.4454  5.728271       12.71292  
1 1 1 -8  26  19 o 304.508 5.3717  50360.85   1771.67  48697.89   3541.68  50915.86   2046.06  298.076 10.970  306.039 6.1727  -7.963745      12.58754  
1 1 1 -8  26  20 o 185.476 3.7235  18660.07   748.019  18930.24   1489.18  18568.90   865.070  186.376 7.3771  184.971 4.3179  1.405441       8.547892  
1 1 1 -8  26  21 o 222.966 4.4755  27000.45   1080.81  27266.42   2030.49  26895.29   1276.71  223.253 8.3972  222.403 5.3001  0.8504181      9.929922  
1 1 1 -8  26  22 o 141.134 3.2893  10809.22   502.813  9893.37    1087.58  11058.19   567.053  134.243 7.5101  142.715 3.6685  -8.472260      8.358204  
1 1 1 -8  26  23 o 22.416  6.3199  282.287    160.056  326.835    319.284  267.334    184.978  25.888  9.1386  22.173  6.9350  3.715260       11.47207  
1 1 1 -8  26  24 o 77.540  3.0259  3266.69    254.127  3503.07    505.308  3186.66    294.014  79.725  5.8936  76.538  3.5467  3.187500       6.878465  
1 1 1 -8  26  25 o 24.425  6.7865  339.862    185.976  869.565    434.924  221.335    205.733  38.461  10.254  21.046  7.3425  17.41487       12.61143  
1 1 1 -8  26  26 o 78.162  3.3628  3329.78    284.683  3508.93    589.068  3275.18    325.178  79.139  6.9425  77.339  3.8944  1.800102       7.960188  
1 1 1 -8  26  27 o 40.184  1.6482  876.131    71.733   660.035    104.566  1068.23    98.589   34.703  2.8060  44.347  2.0525  -9.644115      3.476554  
1 1 1 -8  26  28 o 62.738  2.0781  2139.49    141.208  2349.00    217.485  1986.80    185.665  65.596  3.0611  60.361  2.8399  5.235157       4.175599  
1 1 1 -8  26  29 f 37.308  5.6630  795.036    221.640  1201.01    470.712  679.387    251.233  44.034  10.086  33.973  7.0583  10.06137       12.31064  
1 1 1 -8  26  30 o 47.102  4.7193  1247.04    237.521  1659.09    506.934  1131.14    268.860  51.950  9.3534  44.461  5.7155  7.489048       10.96139  
1 1 1 -8  26  31 o 56.896  4.3606  1815.71    266.678  1799.63    544.142  1820.79    305.938  53.206  9.8036  56.654  5.0383  -3.448124      11.02251  
1 1 1 -8  26  32 o 64.041  4.0245  2311.24    277.732  2115.04    573.582  2371.33    317.425  56.328  9.7550  64.509  4.5727  -8.181816      10.77351  
1 1 1 -8  26  33 f 46.708  11.665  1694.52    588.385  0.0000     0.0000   1694.52    588.385  ?       ?       46.708  11.665  0.000000       11.66535  
1 1 1 -8  26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  27  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  27  2  o 261.307 5.9779  37000.25   1691.88  37500.04   2667.07  36663.69   2188.61  262.950 9.3646  260.061 7.7700  2.888672       12.16840  
1 1 1 -8  27  3  o 472.452 9.2935  121060.30  4755.64  123339.50  8233.42  119919.10  5825.71  476.188 15.964  470.040 11.443  6.148895       19.64133  
1 1 1 -8  27  4  o 587.188 13.688  187342.30  8705.29  176523.50  12310.51 198163.30  12311.77 568.917 19.978  603.013 18.851  -34.09631      27.46766  
1 1 1 -8  27  5  o 172.235 3.9853  16069.88   743.458  15923.59   911.615  16360.43   1284.70  171.437 4.9095  173.736 6.8272  -2.299530      8.409153  
1 1 1 -8  27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  27  7  o 599.044 9.8330  194744.41  6379.89  198735.50  9022.26  190752.80  9022.80  604.543 13.779  592.226 14.066  12.31689       19.69073  
1 1 1 -8  27  8  o 58.913  2.8599  1879.97    182.485  2105.47    255.426  1644.88    260.804  62.225  3.8083  54.921  4.4218  7.303513       5.835671  
1 1 1 -8  27  9  o 224.454 4.4298  27298.21   1076.92  27727.47   1431.49  26738.49   1634.61  226.165 5.8438  222.058 6.7964  4.107697       8.963305  
1 1 1 -8  27  10 f 252.673 4.4160  34596.47   1208.54  34593.77   1710.71  34599.15   1707.57  252.583 6.2532  252.603 6.2412  -0.2023315E-01 8.834908  
1 1 1 -8  27  11 o 213.139 4.6773  24622.26   1079.76  22996.96   1873.48  25430.66   1321.28  205.793 8.4052  216.569 5.6328  -10.77571      10.11810  
1 1 1 -8  27  12 o 111.881 3.3316  6782.24    403.724  7003.87    498.281  6358.68    688.822  113.681 4.0468  108.113 5.9048  5.568024       7.158444  
1 1 1 -8  27  13 o 117.425 2.9715  7470.73    377.926  7819.69    536.478  7126.96    532.481  120.111 4.1238  114.664 4.2875  5.447639       5.948843  
1 1 1 -8  27  14 o 274.840 4.9526  40965.16   1474.28  40149.77   2086.93  41777.46   2082.97  271.889 7.0867  277.362 6.9337  -5.473633      9.914536  
1 1 1 -8  27  15 o 334.642 5.8321  60782.18   2113.86  60279.90   2991.44  61283.12   2987.46  332.875 8.2971  335.648 8.2177  -2.772980      11.67785  
1 1 1 -8  27  16 o 366.568 6.3365  72983.27   2515.81  71452.30   3558.99  74512.34   3556.79  362.147 9.0734  369.867 8.8785  -7.720459      12.69472  
1 1 1 -8  27  17 o 340.423 6.2831  62958.71   2316.68  59090.69   6387.33  63544.62   2485.95  325.551 18.187  341.927 6.7126  -16.37604      19.38659  
1 1 1 -8  27  18 o 268.538 4.8343  39133.68   1406.08  36673.70   2811.07  39954.52   1623.82  259.079 10.018  271.253 5.5270  -12.17395      11.44127  
1 1 1 -8  27  19 o 271.082 5.1249  39903.39   1504.73  41953.18   2810.67  39079.85   1781.54  277.088 9.3653  268.114 6.1349  8.973724       11.19579  
1 1 1 -8  27  20 o 119.560 3.5636  7753.00    461.471  7080.25    789.289  8102.41    568.823  113.883 6.4251  122.183 4.2983  -8.299385      7.730315  
1 1 1 -8  27  21 o 316.833 5.9486  54649.61   2041.35  52962.78   5572.51  54911.05   2193.85  305.884 16.885  317.465 6.3803  -11.58060      18.05053  
1 1 1 -8  27  22 o 149.349 3.3295  12105.77   538.575  12131.67   1074.40  12097.08   622.424  149.022 6.6565  149.240 3.8506  -0.2183228     7.690013  
1 1 1 -8  27  23 o 55.258  3.3996  1664.99    202.478  1421.35    402.684  1747.44    234.244  50.295  7.6318  56.562  3.8465  -6.266949      8.546324  
1 1 1 -8  27  24 f 120.674 3.1307  7914.72    409.190  8048.05    818.853  7870.35    472.401  120.873 6.2763  120.261 3.6267  0.6126328      7.248796  
1 1 1 -8  27  25 o 120.636 3.1736  7919.10    414.673  7737.75    852.784  7975.26    474.555  118.100 6.6944  120.976 3.6217  -2.875710      7.611274  
1 1 1 -8  27  26 o 38.056  1.4904  785.317    61.432   677.148    449.727  787.374    62.013   34.224  10.829  38.105  1.5025  -3.881084      10.93247  
1 1 1 -8  27  27 o 64.997  2.7558  2300.30    194.008  2785.57    540.317  2228.48    207.871  70.096  7.2202  63.942  3.0015  6.153214       7.819173  
1 1 1 -8  27  28 f ?       ?       -294.0276  30.194   -305.3321  30.467   328.216    226.036  ?       ?       24.107  7.6823  0.000000       7.682255  
1 1 1 -8  27  29 o 43.623  2.1808  1035.83    103.040  1031.16    112.409  1060.39    257.802  43.436  2.3986  43.187  5.6466  0.2494240      6.134987  
1 1 1 -8  27  30 o 34.598  6.1314  697.059    221.349  866.518    474.465  649.917    250.251  36.638  11.042  32.986  7.2061  3.652607       13.18576  
1 1 1 -8  27  31 o 51.144  4.6250  1476.43    253.426  1694.19    522.631  1409.49    289.774  51.591  9.7093  49.558  5.4908  2.033649       11.15433  
1 1 1 -8  27  32 o 17.422  7.2202  92.615     223.096  554.372    468.616  -42.7114   253.689  28.792  10.919  16.003  7.1526  12.78950       13.05292  
1 1 1 -8  27  33 o 26.045  10.990  407.085    531.050  0.0000     0.0000   407.085    531.050  ?       ?       26.045  10.990  0.000000       10.98974  
1 1 1 -8  27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  28  1  f 375.063 8.2441  76270.98   3349.01  76216.32   5231.32  76308.95   4359.44  374.610 12.893  375.003 10.733  -0.3929138     16.77602  
1 1 1 -8  28  2  o 581.209 30.539  186401.41  19157.37 0.0000     0.0000   186401.41  19157.37 ?       ?       581.209 30.539  0.000000       30.53925  
1 1 1 -8  28  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  28  4  o 356.382 6.9206  68841.79   2671.35  69848.91   3272.57  66830.67   4624.51  358.904 8.4186  350.816 12.171  8.087830       14.79863  
1 1 1 -8  28  5  o 161.601 4.0453  14147.08   708.046  13750.42   896.718  14803.88   1153.87  159.303 5.1971  165.270 6.4461  -5.966675      8.280178  
1 1 1 -8  28  6  o 169.182 3.6057  15504.80   660.723  15708.00   891.888  15257.64   983.641  170.269 4.8362  167.800 5.4122  2.468842       7.258157  
1 1 1 -8  28  7  o 263.112 4.5408  37508.34   1294.03  37657.55   1829.04  37358.80   1831.02  263.573 6.4069  262.525 6.4395  1.048859       9.083850  
1 1 1 -8  28  8  o 136.294 2.8817  10062.11   425.401  10225.47   600.001  9896.98    603.227  137.382 4.0323  135.156 4.1207  2.225952       5.765407  
1 1 1 -8  28  9  o 327.404 5.5949  58104.71   1984.03  56645.38   2805.52  59564.71   2806.17  323.109 8.0167  331.346 7.8192  -8.236755      11.19852  
1 1 1 -8  28  10 o 321.171 5.4900  55918.89   1909.76  55393.94   2701.53  56443.29   2700.09  319.492 7.8069  322.511 7.7297  -3.018524      10.98619  
1 1 1 -8  28  11 o 52.069  3.6091  1476.08    202.286  1537.00    368.651  1449.83    241.966  52.821  6.5869  51.536  4.3762  1.284725       7.908095  
1 1 1 -8  28  12 o 263.488 4.7214  37637.00   1347.41  37583.51   1907.60  37690.25   1903.44  263.162 6.6926  263.538 6.6685  -0.3754272     9.447720  
1 1 1 -8  28  13 o 377.122 6.4564  77190.13   2637.20  77867.95   3730.02  76512.63   3729.12  378.363 9.1019  375.041 9.1803  3.321381       12.92760  
1 1 1 -8  28  14 o 102.111 2.9245  5649.44    323.435  5650.80    465.474  5648.17    449.744  102.095 4.2094  102.075 4.0679  0.2018738E-01  5.853817  
1 1 1 -8  28  15 o 241.348 4.4522  31586.87   1163.82  31650.60   1648.90  31523.61   1642.90  241.430 6.3057  240.947 6.2954  0.4837799      8.910300  
1 1 1 -8  28  16 o 255.459 4.6556  35398.22   1288.15  35394.53   1823.42  35401.90   1820.03  255.240 6.5958  255.268 6.5828  -0.2819824E-01 9.318697  
1 1 1 -8  28  17 o 111.829 2.9680  6777.31    359.488  7280.45    717.941  6608.96    415.300  115.792 5.7245  110.416 3.4726  5.375938       6.695472  
1 1 1 -8  28  18 o 64.585  3.1783  2261.02    222.327  2440.29    437.085  2198.45    258.230  66.737  6.1148  63.562  3.7677  3.174934       7.182369  
1 1 1 -8  28  19 o 200.784 3.9106  21867.44   850.428  22819.02   1701.43  21550.54   981.879  204.635 7.6765  199.267 4.5494  5.368774       8.923310  
1 1 1 -8  28  20 o 113.752 3.0239  7015.30    372.557  7221.07    722.390  6940.73    434.849  115.088 5.8141  113.122 3.5491  1.966545       6.811729  
1 1 1 -8  28  21 o 133.417 3.2211  9655.19    465.457  9942.37    919.305  9556.19    539.755  135.083 6.2833  132.693 3.7556  2.390106       7.320131  
1 1 1 -8  28  22 o 54.254  2.2243  1595.67    130.708  1664.94    157.757  1444.00    233.436  55.408  2.6287  51.370  4.2333  4.037899       4.983057  
1 1 1 -8  28  23 o 73.181  2.5978  2905.77    205.907  3105.25    481.271  2861.08    227.810  75.118  5.9643  72.599  2.8972  2.518959       6.630757  
1 1 1 -8  28  24 o 52.832  2.2109  1514.43    126.513  1870.02    384.976  1471.38    133.953  58.014  6.2240  52.068  2.3753  5.945580       6.661867  
1 1 1 -8  28  25 o 89.235  2.8699  4329.63    277.377  4605.86    444.552  4153.54    354.944  91.775  4.4723  87.277  3.7548  4.498093       5.839529  
1 1 1 -8  28  26 o 16.193  6.7882  29.784     200.476  107.985    418.248  6.4585     228.427  23.688  9.8571  16.744  7.1420  6.944141       12.17257  
1 1 1 -8  28  27 o 68.172  3.5570  2546.67    261.732  2853.52    551.335  2457.40    297.377  70.907  7.2824  66.827  4.1288  4.079735       8.371340  
1 1 1 -8  28  28 o 53.448  2.2167  1553.88    128.323  1097.42    491.613  1587.26    132.932  42.116  10.743  54.013  2.2722  -11.89759      10.98066  
1 1 1 -8  28  29 o 59.147  2.6258  1908.88    168.218  1853.64    204.425  2024.72    296.047  58.079  3.2629  60.300  4.5668  -2.220863      5.612702  
1 1 1 -8  28  30 o 26.631  1.6149  386.796    46.362   388.245    47.250   349.322    240.277  26.678  1.6432  24.511  7.9322  2.166851       8.100596  
1 1 1 -8  28  31 f 43.679  1.9730  1039.92    93.339   1654.25    491.988  1016.98    95.066   51.272  9.1972  43.186  2.0324  8.086712       9.419136  
1 1 1 -8  28  32 o 33.791  6.6538  702.522    234.858  436.012    491.246  781.486    267.397  26.947  10.886  35.322  7.2329  -8.374569      13.06967  
1 1 1 -8  28  33 o 20.652  9.5731  -92.3189   510.025  0.0000     0.0000   -92.3189   510.025  ?       ?       20.652  9.5731  0.000000       9.573113  
1 1 1 -8  28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  29  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  29  2  o 936.247 31.114  482988.00  31551.67 482988.00  31551.67 0.0000     0.0000   936.247 31.114  ?       ?       0.000000       31.11442  
1 1 1 -8  29  3  o 538.389 10.337  157284.00  6028.02  156488.00  7383.51  158875.09  10438.76 536.757 12.700  540.057 17.846  -3.300720      21.90378  
1 1 1 -8  29  4  f 401.957 7.5768  87593.82   3298.65  86875.83   4040.87  89027.97   5711.00  400.194 9.3225  404.802 13.026  -4.608215      16.01803  
1 1 1 -8  29  5  o 214.438 4.5988  24913.10   1068.10  24772.08   1308.84  25194.25   1848.04  213.807 5.6519  215.555 7.9156  -1.747681      9.726299  
1 1 1 -8  29  6  o 498.115 8.1542  134564.70  4399.26  134517.80  6220.71  134611.50  6222.28  497.666 11.541  497.840 11.540  -0.1734009     16.32021  
1 1 1 -8  29  7  o 378.793 6.7378  77790.10   2764.33  78966.16   3627.70  76161.67   4268.78  381.498 8.7795  374.509 10.524  6.989288       13.70508  
1 1 1 -8  29  8  o 555.211 9.1319  167321.50  5491.49  168532.30  7765.75  166110.50  7766.52  556.586 12.882  552.554 12.977  4.032104       18.28529  
1 1 1 -8  29  9  o 174.915 3.4148  16574.95   646.945  16385.21   915.016  16764.60   914.820  173.879 4.8586  175.882 4.8023  -2.002975      6.831383  
1 1 1 -8  29  10 o 381.183 6.9784  78825.66   2881.09  82020.63   3780.79  74400.95   4449.30  388.608 8.9826  369.835 11.107  18.77365       14.28502  
1 1 1 -8  29  11 o 223.671 4.8343  27119.73   1171.14  27978.20   2031.71  26692.54   1433.21  226.970 8.2646  221.846 5.9647  5.124176       10.19225  
1 1 1 -8  29  12 o 297.378 5.2612  47955.79   1694.59  47670.99   2397.21  48240.26   2395.83  296.291 7.4699  298.060 7.4213  -1.769073      10.52977  
1 1 1 -8  29  13 o 114.945 2.9588  7158.53    368.356  6956.81    523.047  7357.02    518.847  113.285 4.2628  116.501 4.1119  -3.216919      5.922771  
1 1 1 -8  29  14 o 72.935  2.9679  2882.38    234.451  2654.55    340.884  3086.89    322.967  69.822  4.5321  75.358  3.9710  -5.536034      6.025664  
1 1 1 -8  29  15 o 187.101 3.7213  18975.98   754.118  19536.73   1071.03  18424.63   1062.00  189.759 5.2111  184.272 5.3210  5.487259       7.447711  
1 1 1 -8  29  16 o 52.842  3.3585  1519.53    191.221  1647.05    275.768  1401.43    265.384  54.904  4.6821  50.588  4.9051  4.316147       6.780977  
1 1 1 -8  29  17 o 178.403 3.6222  17254.94   699.906  16477.75   1393.48  17517.16   809.412  174.040 7.3923  179.722 4.1581  -5.681686      8.481532  
1 1 1 -8  29  18 o 201.068 3.9042  21924.94   850.238  20109.09   1698.61  22531.99   982.129  192.107 8.1636  203.790 4.4495  -11.68329      9.297469  
1 1 1 -8  29  19 o 226.685 4.2473  27882.22   1042.80  28848.09   2086.09  27560.46   1204.03  229.934 8.3764  225.296 4.9342  4.637421       9.721673  
1 1 1 -8  29  20 o 103.756 2.9798  5836.59    334.862  5726.16    670.672  5873.27    386.484  102.409 6.0736  104.062 3.4290  -1.653282      6.974714  
1 1 1 -8  29  21 o 133.207 3.1836  9625.05    459.324  9017.63    962.628  9804.11    522.661  128.358 6.9500  134.411 3.5902  -6.052490      7.822543  
1 1 1 -8  29  22 o 140.844 3.7565  10775.71   573.048  10169.97   985.050  11085.57   704.535  136.380 6.6686  142.752 4.5567  -6.371506      8.076772  
1 1 1 -8  29  23 o 116.507 3.0413  7371.00    383.780  7709.18    759.616  7255.08    444.712  118.702 5.9084  115.529 3.5540  3.172157       6.894899  
1 1 1 -8  29  24 o 44.036  3.8131  1064.05    180.073  1389.43    357.364  953.313    208.474  49.759  6.8096  41.512  4.7207  8.247135       8.285827  
1 1 1 -8  29  25 o 102.827 3.1674  5754.77    352.765  6104.29    723.992  5645.95    403.962  104.918 6.4017  101.765 3.6650  3.153175       7.376594  
1 1 1 -8  29  26 o 120.852 3.1900  7958.73    417.560  8134.58    821.302  7897.44    484.908  120.953 6.2910  120.251 3.7230  0.7014236      7.310094  
1 1 1 -8  29  27 o 82.075  3.3101  3677.69    294.254  3303.82    609.863  3791.14    335.945  76.220  7.4839  83.242  3.7261  -7.021477      8.360219  
1 1 1 -8  29  28 o 62.163  3.7517  2126.95    251.411  2441.71    531.966  2036.43    285.282  65.031  7.7023  60.645  4.3725  4.385223       8.856830  
1 1 1 -8  29  29 o 32.739  6.5112  626.622    222.760  320.435    459.883  720.485    254.624  26.970  10.653  35.004  6.9611  -8.034206      12.72549  
1 1 1 -8  29  30 o 50.857  2.4678  1411.93    135.935  1355.95    156.667  1582.43    273.431  49.675  2.9247  53.054  4.8107  -3.378975      5.629970  
1 1 1 -8  29  31 o 43.401  1.9966  1027.12    93.855   0.0000     0.0000   1027.12    93.855   ?       ?       43.401  1.9966  0.000000       1.996606  
1 1 1 -8  29  32 o 20.495  7.6633  230.158    229.047  124.548    470.013  263.050    262.300  22.605  9.9377  21.689  8.1824  0.9155140      12.87282  
1 1 1 -8  29  33 o 20.595  9.5385  -84.1078   504.726  0.0000     0.0000   -84.1078   504.726  ?       ?       20.595  9.5385  0.000000       9.538465  
1 1 1 -8  29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  30  1  o 276.808 9.9011  41570.45   2968.46  41570.45   2968.46  0.0000     0.0000   276.808 9.9011  ?       ?       0.000000       9.901085  
1 1 1 -8  30  2  o 668.029 22.212  243906.41  16071.37 243906.41  16071.37 0.0000     0.0000   668.029 22.212  ?       ?       0.000000       22.21198  
1 1 1 -8  30  3  o 554.235 10.933  166733.20  6562.85  162072.20  8038.46  176050.59  11365.39 546.093 13.591  568.308 18.464  -22.21521      22.92659  
1 1 1 -8  30  4  o 89.300  3.1200  4319.47    301.771  4137.10    373.200  4663.94    512.909  87.390  3.9429  92.635  5.1321  -5.245544      6.471810  
1 1 1 -8  30  5  o 233.000 4.4015  29412.36   1110.77  29085.41   1569.30  29740.60   1572.42  231.652 6.2546  234.249 6.1976  -2.596375      8.805108  
1 1 1 -8  30  6  o 602.176 9.8435  196818.80  6420.12  194131.00  9078.64  199507.50  9080.20  597.356 14.032  605.608 13.843  -8.252380      19.71108  
1 1 1 -8  30  7  o 158.322 3.3043  13578.30   566.612  13563.87   798.389  13592.95   804.263  158.215 4.6590  158.385 4.6883  -0.1689301     6.609590  
1 1 1 -8  30  8  o 382.590 6.4542  79365.69   2674.54  79755.33   3781.82  78975.82   3782.91  383.299 9.1095  381.416 9.1571  1.882538       12.91644  
1 1 1 -8  30  9  o 227.905 4.1264  28144.37   1018.58  27987.20   1439.94  28301.79   1441.03  227.204 5.8514  228.479 5.8231  -1.274612      8.255159  
1 1 1 -8  30  10 o 190.987 3.6450  19763.57   753.995  19604.84   1069.75  19920.27   1062.90  190.169 5.1937  191.695 5.1193  -1.526535      7.292555  
1 1 1 -8  30  11 f 372.110 9.0341  75255.82   3641.05  75801.82   5151.79  74710.91   5146.65  372.794 12.759  370.085 12.840  2.708954       18.10113  
1 1 1 -8  30  12 f 239.877 4.3671  31191.36   1134.62  31118.94   1606.83  31263.39   1602.36  239.482 6.1948  240.040 6.1632  -0.5575562     8.738459  
1 1 1 -8  30  13 o 52.820  3.1033  1516.95    176.760  1757.72    256.408  1298.90    244.006  56.788  4.1985  48.721  4.6816  8.067730       6.288483  
1 1 1 -8  30  14 o 223.206 4.4945  27015.15   1086.57  26911.32   1652.16  27094.28   1442.39  222.588 6.8530  223.424 5.9605  -0.8361053     9.082443  
1 1 1 -8  30  15 o 216.229 4.0860  25349.94   956.930  25050.12   1356.65  25646.81   1349.98  214.817 5.8308  217.368 5.7341  -2.551895      8.177886  
1 1 1 -8  30  16 o 379.480 6.5210  78239.62   2680.25  77765.41   3791.19  78713.45   3789.71  377.706 9.2673  380.017 9.2073  -2.311310      13.06357  
1 1 1 -8  30  17 o 85.414  3.3622  3954.66    311.048  4266.80    534.271  3794.62    382.568  88.470  5.6046  83.537  4.2422  4.932999       7.029043  
1 1 1 -8  30  18 o 217.732 4.1441  25715.21   977.291  24712.72   1949.31  26051.79   1129.50  212.900 8.4535  219.095 4.7597  -6.195496      9.701367  
1 1 1 -8  30  19 o 264.452 4.7910  37968.68   1372.29  38008.26   2743.58  37955.48   1584.77  263.593 9.6098  264.295 5.5361  -0.7023010     11.09038  
1 1 1 -8  30  20 o 142.328 3.2344  10985.54   498.609  11048.86   998.120  10964.49   575.571  142.441 6.4696  142.158 3.7381  0.2832489      7.471893  
1 1 1 -8  30  21 o 243.160 4.4915  32128.76   1182.93  35265.87   2366.14  31083.40   1365.87  253.609 8.6140  239.018 5.2761  14.59100       10.10140  
1 1 1 -8  30  22 o 150.125 3.5070  12239.50   570.247  12075.48   1225.32  12284.84   644.269  148.145 7.6627  150.345 3.9565  -2.200729      8.623836  
1 1 1 -8  30  23 o 96.405  2.9383  5046.55    306.810  5000.81    610.162  5062.03    354.946  95.398  5.9346  96.509  3.3957  -1.111420      6.837427  
1 1 1 -8  30  24 o 77.261  2.6345  3241.92    220.457  2817.25    330.742  3581.44    295.733  71.731  4.2765  81.133  3.3654  -9.401596      5.441894  
1 1 1 -8  30  25 o 16.424  6.7334  54.653     191.273  205.918    416.176  14.145     215.366  25.230  10.080  16.459  6.9746  8.771732       12.25787  
1 1 1 -8  30  26 o 55.938  3.9316  1719.21    236.689  1356.22    496.995  1825.69    269.174  47.815  9.9217  57.562  4.3495  -9.747242      10.83317  
1 1 1 -8  30  27 o 60.469  2.4959  1989.54    163.468  2033.06    202.357  1907.79    277.332  60.977  3.0738  58.770  4.3885  2.207439       5.357934  
1 1 1 -8  30  28 o 27.797  7.0756  454.233    213.573  615.671    441.841  405.014    243.967  32.309  10.773  26.364  7.9121  5.945059       13.36600  
1 1 1 -8  30  29 o 58.197  3.9574  1875.08    247.966  2201.15    524.529  1781.24    281.395  61.078  8.1309  56.484  4.6406  4.593903       9.362027  
1 1 1 -8  30  30 o 37.877  5.6017  824.580    222.880  1089.11    476.063  750.323    252.230  41.092  10.620  35.641  6.7818  5.451530       12.60036  
1 1 1 -8  30  31 o 32.166  2.1741  567.576    75.300   544.763    78.876   802.213    252.963  31.479  2.3299  36.629  6.6198  -5.149906      7.017838  
1 1 1 -8  30  32 o 16.633  2.5158  155.533    43.907   245.405    343.996  154.044    44.269   22.354  9.0815  16.542  2.5529  5.811777       9.433546  
1 1 1 -8  30  33 o 23.893  10.394  257.511    502.326  0.0000     0.0000   257.511    502.326  ?       ?       23.893  10.394  0.000000       10.39352  
1 1 1 -8  30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  31  1  o 454.524 15.349  112392.10  7556.14  112392.10  7556.14  0.0000     0.0000   454.524 15.349  ?       ?       0.000000       15.34875  
1 1 1 -8  31  2  o 473.129 15.937  121831.20  8166.82  121831.20  8166.82  0.0000     0.0000   473.129 15.937  ?       ?       0.000000       15.93686  
1 1 1 -8  31  3  o 527.320 12.449  151058.50  7110.43  161014.41  10055.75 141102.80  10055.58 543.673 17.077  508.736 18.249  34.93665       24.99301  
1 1 1 -8  31  4  o 334.059 6.2076  60484.12   2246.02  60713.31   2952.39  60169.26   3460.49  334.593 8.1468  333.000 9.5945  1.592987       12.58671  
1 1 1 -8  31  5  o 96.072  2.6609  4999.28    276.886  5047.72    403.608  4956.21    380.559  96.528  3.8604  95.651  3.6734  0.8774338      5.328835  
1 1 1 -8  31  6  o 382.697 6.3643  79393.96   2638.02  75739.16   3729.10  83055.16   3732.36  373.578 9.2162  391.241 8.8078  -17.66272      12.74819  
1 1 1 -8  31  7  o 199.429 3.6129  21546.20   780.383  21066.56   1101.68  22029.26   1105.59  197.160 5.1590  201.617 5.0629  -4.457306      7.228279  
1 1 1 -8  31  8  o 331.341 6.1049  59523.27   2190.91  59928.96   2880.69  58966.62   3374.36  332.332 8.0030  329.526 9.4544  2.806763       12.38682  
1 1 1 -8  31  9  o 350.866 5.8576  66748.13   2226.02  65605.87   3147.27  67891.55   3148.87  347.636 8.3587  353.654 8.2206  -6.017975      11.72379  
1 1 1 -8  31  10 o 209.445 3.9042  23770.79   885.671  24226.01   1255.37  23319.68   1249.70  211.378 5.4833  207.383 5.5637  3.995346       7.811627  
1 1 1 -8  31  11 o 244.297 6.3448  32380.40   1678.82  32681.24   2379.52  32082.24   2368.93  245.204 8.9597  242.942 9.0028  2.261841       12.70146  
1 1 1 -8  31  12 o 412.415 7.4753  92376.29   3339.14  91424.66   4376.80  93701.54   5164.99  409.849 9.8597  414.548 11.503  -4.698425      15.15058  
1 1 1 -8  31  13 o 64.875  2.9044  2280.36    204.083  2315.12    293.122  2247.67    284.315  65.218  4.1715  64.262  4.1063  0.9557800      5.853465  
1 1 1 -8  31  14 o 378.391 6.4883  77750.35   2659.13  75498.38   3760.84  80001.71   3760.32  372.332 9.3258  383.337 9.0568  -11.00458      12.99983  
1 1 1 -8  31  15 o 172.357 3.5441  16102.31   661.625  16537.80   937.199  15669.64   934.168  174.598 4.9559  169.946 5.0751  4.651779       7.093469  
1 1 1 -8  31  16 o 221.851 4.1956  26690.59   1008.15  26079.46   1426.85  27299.82   1424.64  219.139 6.0116  224.223 5.8662  -5.083527      8.399479  
1 1 1 -8  31  17 o 186.153 4.3269  18796.10   872.398  19479.87   1504.48  18449.72   1070.81  189.227 7.3407  184.351 5.3628  4.875610       9.090946  
1 1 1 -8  31  18 o 114.573 3.0225  7115.31    375.074  7613.72    746.152  6946.78    433.876  118.376 5.8196  113.190 3.5391  5.186302       6.811219  
1 1 1 -8  31  19 f 47.844  3.7466  1249.15    192.595  1142.21    376.894  1286.94    224.057  45.105  8.0081  48.508  4.3095  -3.402721      9.094030  
1 1 1 -8  31  20 o 116.487 3.0479  7357.79    384.541  7375.29    767.538  7351.92    444.328  116.244 6.1177  116.416 3.5239  -0.1718903     7.060059  
1 1 1 -8  31  21 o 154.296 3.4918  12920.64   583.546  12988.53   1326.89  12904.36   649.754  153.803 7.9928  154.159 3.8914  -0.3562469     8.889797  
1 1 1 -8  31  22 o 133.726 3.6689  9715.60    531.399  8895.68    914.169  10134.05   653.070  127.324 6.6521  136.477 4.4180  -9.153015      7.985562  
1 1 1 -8  31  23 o 32.774  1.6687  583.750    59.041   584.685    62.855   576.737    172.120  32.793  1.7763  32.109  5.1212  0.6838951      5.420483  
1 1 1 -8  31  24 o 92.541  2.9656  4655.07    297.249  4229.62    582.949  4804.56    345.545  87.456  6.1942  93.960  3.3954  -6.504074      7.063791  
1 1 1 -8  31  25 o 92.457  2.9038  4649.62    290.788  4611.94    479.024  4671.60    365.924  91.604  4.8453  92.559  3.6501  -0.9551849     6.066299  
1 1 1 -8  31  26 o 85.852  3.2357  4018.65    300.874  4573.55    624.922  3851.21    343.279  90.488  6.4178  83.942  3.7757  6.546066       7.446116  
1 1 1 -8  31  27 o 35.963  5.5873  732.850    210.568  356.595    450.201  838.210    238.233  27.934  10.676  38.417  5.9152  -10.48359      12.20514  
1 1 1 -8  31  28 o 24.144  1.2252  316.948    31.934   162.363    46.115   459.372    44.264   17.074  2.5736  29.097  1.4045  -12.02320      2.931892  
1 1 1 -8  31  29 o 49.741  4.3877  1379.86    233.963  1252.56    496.737  1416.15    265.225  44.575  10.467  50.205  4.9415  -5.630238      11.57525  
1 1 1 -8  31  30 o 33.486  6.4830  660.689    226.637  357.113    471.087  752.112    258.521  27.290  10.781  35.587  6.9564  -8.297646      12.83041  
1 1 1 -8  31  31 o 28.776  2.2513  455.393    69.609   431.145    72.428   748.835    251.957  27.962  2.4152  35.186  6.8578  -7.223688      7.270647  
1 1 1 -8  31  32 o 26.189  1.3993  374.410    39.547   379.183    40.014   173.691    259.499  26.355  1.4069  19.686  7.9262  6.668623       8.050066  
1 1 1 -8  31  33 o 23.006  10.118  198.769    487.582  0.0000     0.0000   198.769    487.582  ?       ?       23.006  10.118  0.000000       10.11773  
1 1 1 -8  31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  32  1  o 639.939 12.249  222461.80  8489.87  235543.80  14709.17 215926.50  10396.41 656.620 20.683  629.939 15.238  26.68103       25.68947  
1 1 1 -8  32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  32  3  o 463.373 12.546  116672.80  6296.57  104869.10  11499.31 121727.30  7524.89  436.606 24.415  473.008 14.688  -36.40262      28.49255  
1 1 1 -8  32  4  o 247.272 6.3519  33142.56   1701.17  30767.43   2403.65  35526.29   2407.99  238.122 9.3197  255.908 8.6876  -17.78650      12.74093  
1 1 1 -8  32  5  o 435.733 7.3605  102956.20  3473.72  105200.80  4912.15  100710.80  4913.01  440.179 10.303  430.658 10.533  9.521057       14.73421  
1 1 1 -8  32  6  o 601.055 9.9852  196161.80  6500.40  202284.20  9192.71  190038.80  9193.19  609.605 13.923  590.768 14.367  18.83746       20.00664  
1 1 1 -8  32  7  o 626.132 10.162  212948.70  6891.68  205549.70  9745.39  220350.41  9747.22  614.168 14.650  636.028 14.149  -21.85992      20.36736  
1 1 1 -8  32  8  o 491.534 7.9774  131111.80  4247.05  129489.40  6005.51  132735.00  6006.96  487.968 11.363  494.070 11.225  -6.102295      15.97251  
1 1 1 -8  32  9  o 293.963 5.0580  46841.95   1610.43  47215.48   2277.01  46468.12   2277.97  294.996 7.1265  292.647 7.1867  2.348663       10.12112  
1 1 1 -8  32  10 o 300.684 5.1712  49017.50   1684.13  51106.60   2382.90  46932.52   2380.55  306.866 7.1695  294.040 7.4748  12.82602       10.35734  
1 1 1 -8  32  11 o 211.078 5.1060  24158.45   1167.34  23634.75   1316.87  26079.55   2522.19  208.738 5.8247  218.854 10.640  -10.11526      12.13024  
1 1 1 -8  32  12 o 505.482 9.0232  138971.41  4940.08  141205.91  7664.79  137383.70  6461.08  508.018 13.930  501.791 11.888  6.226654       18.31314  
1 1 1 -8  32  13 o 646.625 11.531  228225.00  8075.62  223808.91  12553.62 231342.70  10547.78 636.622 18.206  649.267 14.999  -12.64453      23.58893  
1 1 1 -8  32  14 o 58.136  3.0720  1836.60    192.749  1870.28    279.052  1805.86    266.553  58.562  4.4323  57.550  4.3075  1.012054       6.180598  
1 1 1 -8  32  15 o 301.301 5.2942  49263.19   1727.72  49330.69   2445.34  49195.90   2441.40  301.202 7.4957  300.790 7.4939  0.4114685      10.59921  
1 1 1 -8  32  16 o 84.564  2.9126  3875.24    266.766  4120.36    381.098  3639.73    373.545  87.170  4.0364  81.814  4.2299  5.355835       5.846783  
1 1 1 -8  32  17 o 327.925 5.7321  58402.07   2035.91  57737.69   2880.22  59065.52   2878.19  325.576 8.1678  329.322 8.0692  -3.745270      11.48145  
1 1 1 -8  32  18 o 108.661 2.9851  6399.88    351.323  7243.35    699.148  6114.95    406.353  115.471 5.5902  106.195 3.5329  9.275536       6.612968  
1 1 1 -8  32  19 o 153.134 3.3592  12715.78   557.155  13221.55   1111.57  12546.08   643.877  155.863 6.5845  152.074 3.9091  3.789703       7.657482  
1 1 1 -8  32  20 o 97.788  2.9806  5185.15    315.694  4957.25    626.308  5262.78    365.525  95.231  6.1042  98.498  3.4263  -3.266365      7.000071  
1 1 1 -8  32  21 o 145.126 3.2758  11428.45   514.913  11584.17   1027.81  11376.27   594.960  145.686 6.5136  144.745 3.7950  0.9412994      7.538537  
1 1 1 -8  32  22 o 45.174  2.1223  1106.39    103.839  1087.11    118.290  1171.16    216.804  44.703  2.4524  46.187  4.3865  -1.483875      5.025530  
1 1 1 -8  32  23 o 59.815  3.1789  1949.66    205.206  1814.59    409.207  1995.04    237.185  57.067  6.7512  60.452  3.6395  -3.384262      7.669742  
1 1 1 -8  32  24 o 65.742  3.1363  2350.68    223.324  2271.84    432.469  2379.35    260.785  63.915  6.3304  65.990  3.6630  -2.075771      7.313857  
1 1 1 -8  32  25 o 149.052 3.4336  12106.78   554.313  12956.97   1111.22  11825.15   639.568  152.861 6.7117  147.141 4.0131  5.720032       7.819993  
1 1 1 -8  32  26 o 81.925  3.3545  3661.84    297.653  3540.81    600.596  3701.24    342.700  79.274  7.0691  82.269  3.8460  -2.994896      8.047617  
1 1 1 -8  32  27 o 16.707  6.8925  55.595     201.992  -338.8106  420.252  174.084    230.344  18.440  8.5957  20.197  7.6561  -1.757212      11.51097  
1 1 1 -8  32  28 o 40.429  2.3881  893.182    104.109  825.208    114.257  1225.67    252.697  38.799  2.7365  46.733  5.0739  -7.933926      5.764791  
1 1 1 -8  32  29 o 39.436  5.3045  884.241    220.825  695.939    470.245  937.513    250.119  33.496  11.111  40.413  5.8871  -6.916904      12.57416  
1 1 1 -8  32  30 o 34.367  6.3426  693.852    227.393  346.333    471.696  799.065    259.542  27.069  10.758  36.758  6.7684  -9.689766      12.71002  
1 1 1 -8  32  31 o 45.636  2.0280  1137.02    100.242  614.385    495.605  1159.31    102.357  30.578  11.304  46.077  2.0510  -15.49970      11.48862  
1 1 1 -8  32  32 o 48.293  2.1829  1279.31    114.179  1313.22    125.537  1116.95    274.698  48.873  2.3715  43.035  6.0613  5.838345       6.508733  
1 1 1 -8  32  33 o 26.255  11.387  420.230    599.302  0.0000     0.0000   420.230    599.302  ?       ?       26.255  11.387  0.000000       11.38670  
1 1 1 -8  32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  33  1  o 191.913 3.5612  19951.23   740.244  20303.66   1047.30  19599.39   1046.42  193.574 4.9952  190.186 5.0800  3.388657       7.124465  
1 1 1 -8  33  2  o 357.783 7.8564  69418.80   3044.48  68555.70   7125.94  69611.53   3367.27  353.945 18.654  358.225 8.6786  -4.280121      20.57403  
1 1 1 -8  33  3  o 856.636 19.977  401065.19  18535.02 392023.09  26211.66 410108.50  26213.28 842.835 28.713  862.418 28.063  -19.58289      40.14946  
1 1 1 -8  33  4  o 270.906 6.8639  39790.16   2014.00  38960.46   2846.71  40621.61   2849.73  267.907 9.8105  273.572 9.6175  -5.664215      13.73832  
1 1 1 -8  33  5  o 482.679 11.481  126602.70  6002.20  130246.50  8487.59  122957.50  8489.19  488.783 16.032  474.814 16.507  13.96866       23.01138  
1 1 1 -8  33  6  o 340.158 6.3870  62733.58   2353.15  61856.11   3091.92  63941.45   3627.63  337.626 8.4552  343.155 9.7603  -5.529602      12.91329  
1 1 1 -8  33  7  o 350.904 5.9437  66756.03   2259.00  66308.02   3193.92  67204.48   3195.48  349.532 8.4366  351.892 8.3841  -2.359558      11.89409  
1 1 1 -8  33  8  o 245.227 4.4577  32589.25   1184.00  33100.25   1675.22  32079.20   1673.64  247.060 6.2603  243.215 6.3533  3.845291       8.919451  
1 1 1 -8  33  9  o 412.737 6.7794  92419.81   3030.65  90244.52   4285.00  94597.11   4286.96  407.468 9.7093  417.213 9.4868  -9.745270      13.57463  
1 1 1 -8  33  10 f 448.608 7.3613  109249.30  3576.80  112819.50  5058.85  105680.40  5057.86  455.366 10.257  440.654 10.597  14.71207       14.74827  
1 1 1 -8  33  11 o 421.818 8.2549  96684.65   3771.46  95575.41   4618.42  98905.00   6534.22  419.024 10.176  425.235 14.187  -6.210876      17.45935  
1 1 1 -8  33  12 o 370.025 6.2007  74304.10   2485.08  72322.08   3514.91  76285.06   3513.96  364.651 8.8995  374.551 8.6620  -9.900024      12.41897  
1 1 1 -8  33  13 o 160.527 3.3383  13964.78   580.419  15411.74   822.711  12530.92   818.975  168.591 4.5055  151.999 4.9746  16.59203       6.711648  
1 1 1 -8  33  14 o 161.435 3.3865  14124.39   592.133  14443.81   842.835  13813.06   832.075  163.188 4.7685  159.583 4.8140  3.605270       6.775951  
1 1 1 -8  33  15 o 146.650 3.2526  11655.73   516.628  11764.25   736.016  11550.34   725.344  147.273 4.6142  145.929 4.5892  1.343811       6.507775  
1 1 1 -8  33  16 o 221.230 4.1878  26542.40   1003.46  27054.71   1420.43  26032.02   1417.77  223.203 5.8756  218.933 5.9789  4.270004       8.382722  
1 1 1 -8  33  17 o 279.780 5.3887  42500.73   1632.93  42313.23   2504.26  42639.43   2153.79  278.671 8.2969  279.970 7.1027  -1.300018      10.92186  
1 1 1 -8  33  18 o 185.872 3.8921  18739.15   783.546  18030.09   1906.45  18883.28   859.495  181.323 9.7431  186.557 4.2536  -5.234772      10.63115  
1 1 1 -8  33  19 o 105.082 2.9168  5986.09    331.977  5924.56    614.791  6011.41    394.423  104.267 5.4629  105.283 3.4589  -1.015968      6.465850  
1 1 1 -8  33  20 o 48.912  2.3034  1296.61    122.025  1232.46    142.203  1475.74    237.649  47.598  2.7703  51.959  4.2603  -4.361156      5.081846  
1 1 1 -8  33  21 o 156.154 3.5463  13237.51   599.781  12422.90   1146.61  13544.37   703.741  150.736 7.0231  157.887 4.1153  -7.150314      8.139964  
1 1 1 -8  33  22 o 57.536  3.2192  1803.22    199.811  1794.93    401.288  1805.96    230.405  56.871  6.6397  57.525  3.7179  -0.6537056     7.609759  
1 1 1 -8  33  23 o 84.511  2.8967  3879.34    265.144  4066.71    531.718  3817.33    305.888  85.971  5.7434  83.789  3.3706  2.181755       6.659341  
1 1 1 -8  33  24 o 23.060  6.1430  303.120    156.184  369.066    301.650  278.965    182.559  26.390  8.9009  22.420  6.8694  3.970558       11.24345  
1 1 1 -8  33  25 o 51.408  4.0923  1453.22    225.974  1315.60    476.447  1493.16    256.681  47.343  9.6196  52.011  4.6040  -4.667950      10.66460  
1 1 1 -8  33  26 o ?       ?       -238.0676  27.079   -245.3360  27.296   213.417    215.130  ?       ?       20.906  7.4884  0.000000       7.488367  
1 1 1 -8  33  27 o 23.174  7.1751  303.911    198.577  -288.0102  425.103  469.124    224.586  19.019  8.7892  28.299  7.2842  -9.280821      11.41530  
1 1 1 -8  33  28 o 41.219  1.9341  923.549    86.348   1048.63    460.407  918.989    87.908   41.099  10.349  41.114  1.9741  -0.1442719E-01 10.53568  
1 1 1 -8  33  29 f 96.486  2.9913  5096.22    312.608  5091.03    525.090  5099.08    389.072  95.342  5.1034  96.226  3.7331  -0.8835678     6.322989  
1 1 1 -8  33  30 o 18.813  7.2134  155.492    205.942  258.452    447.178  127.776    232.011  25.344  10.332  18.824  7.5244  6.519794       12.78140  
1 1 1 -8  33  31 o 54.517  4.2934  1679.55    251.466  2011.43    535.763  1585.78    284.784  55.940  9.1597  52.540  5.0673  3.399967       10.46791  
1 1 1 -8  33  32 o 29.749  1.9615  486.301    62.847   0.0000     0.0000   486.301    62.847   ?       ?       29.749  1.9615  0.000000       1.961506  
1 1 1 -8  33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  34  1  o 426.631 7.3559  98696.10   3399.04  93974.34   4806.67  103419.00  4807.27  416.007 10.668  436.465 10.169  -20.45807      14.73804  
1 1 1 -8  34  2  o 624.955 11.934  212236.00  8078.29  201217.80  9892.06  234296.50  13997.09 607.911 15.024  654.700 19.739  -46.78857      24.80603  
1 1 1 -8  34  3  o 446.117 8.6888  107981.80  4198.33  108924.30  7274.39  107511.10  5140.94  447.230 15.017  444.933 10.668  2.297516       18.42081  
1 1 1 -8  34  4  o 398.391 9.5971  86158.54   4141.13  86051.08   5855.49  86266.07   5857.41  397.665 13.595  398.163 13.582  -0.4981995     19.21721  
1 1 1 -8  34  5  o 295.183 7.3507  47257.52   2350.13  45633.86   3321.20  48885.85   3325.98  289.836 10.580  300.015 10.235  -10.17920      14.72051  
1 1 1 -8  34  6  o 565.573 13.351  174149.20  8178.57  183413.80  11565.98 164883.70  11566.52 579.032 18.442  548.690 19.463  30.34167       26.81249  
1 1 1 -8  34  7  o 421.067 8.2535  96229.74   3764.07  97782.03   4608.56  93119.23   6523.71  424.225 10.030  413.234 14.576  10.99069       17.69320  
1 1 1 -8  34  8  o 244.792 4.4009  32474.51   1166.82  31741.35   1649.31  33209.15   1650.97  241.923 6.2944  247.461 6.1597  -5.537979      8.806908  
1 1 1 -8  34  9  o 119.510 2.9326  7737.60    379.608  7798.41    537.122  7676.91    536.572  119.958 4.1340  119.020 4.1624  0.9387512      5.866461  
1 1 1 -8  34  10 o 115.500 3.4126  7228.41    426.916  7816.23    740.014  6935.17    522.660  120.047 5.6914  113.116 4.2660  6.930916       7.112729  
1 1 1 -8  34  11 o 558.729 10.672  170045.80  6458.24  168073.50  7909.00  173992.50  11187.96 554.641 13.166  561.983 18.380  -7.342102      22.60917  
1 1 1 -8  34  12 o 469.960 7.8961  120029.00  4019.23  120227.10  5684.30  119831.00  5683.81  469.523 11.178  468.744 11.195  0.7793274      15.82002  
1 1 1 -8  34  13 o 177.238 3.5965  17025.92   690.420  17065.04   977.283  16986.94   975.523  177.370 5.0871  176.963 5.0896  0.4064941      7.196016  
1 1 1 -8  34  14 o 129.988 3.0910  9156.59    435.177  9464.76    622.325  8861.70    608.766  132.115 4.3491  127.835 4.3967  4.280060       6.184316  
1 1 1 -8  34  15 f 191.880 3.8054  19960.38   790.870  19647.08   1123.03  20268.64   1113.95  190.260 5.4497  193.256 5.3218  -2.996063      7.617168  
1 1 1 -8  34  16 o 218.250 4.1214  25831.52   974.242  25753.55   1379.03  25909.21   1376.55  217.768 5.8467  218.428 5.8185  -0.6600037     8.248570  
1 1 1 -8  34  17 o 262.755 4.7695  37466.58   1357.35  37799.48   1921.05  37134.70   1918.11  263.649 6.7273  261.312 6.7771  2.336700       9.549124  
1 1 1 -8  34  18 f 245.151 4.5160  32616.45   1199.11  33431.41   2395.77  32344.06   1385.09  247.423 8.9400  244.034 5.2403  3.388290       10.36263  
1 1 1 -8  34  19 f 238.535 4.4256  30889.21   1143.40  30590.75   2284.17  30989.01   1320.79  236.499 8.9172  238.824 5.1061  -2.325134      10.27563  
1 1 1 -8  34  20 o 46.076  3.7934  1160.06    187.630  1080.00    365.712  1188.67    218.591  43.772  8.0090  46.576  4.3847  -2.803780      9.130664  
1 1 1 -8  34  21 o 166.952 3.6606  15136.39   661.938  14363.21   1263.77  15428.71   777.058  161.993 7.2028  168.475 4.2584  -6.481979      8.367461  
1 1 1 -8  34  22 o 77.726  2.6052  3277.82    219.316  3155.46    337.764  3367.01    288.376  76.045  4.1162  78.726  3.3820  -2.680573      5.327355  
1 1 1 -8  34  23 o 25.654  5.5564  374.147    149.920  454.210    302.029  347.971    172.697  28.551  8.8503  24.703  6.4020  3.848097       10.92313  
1 1 1 -8  34  24 f 74.939  3.1419  3055.31    255.023  3879.53    552.459  2832.12    287.485  83.694  6.1373  71.994  3.6993  11.70039       7.165952  
1 1 1 -8  34  25 o 36.199  1.3446  710.358    52.718   720.930    76.210   700.658    73.002   36.396  1.9403  35.884  1.8849  0.5117607      2.705070  
1 1 1 -8  34  26 o 67.921  3.4887  2525.65    255.783  2867.65    533.596  2423.62    291.450  71.273  7.0026  66.401  4.0721  4.872017       8.100578  
1 1 1 -8  34  27 o 33.604  1.4966  612.683    54.473   625.847    56.078   392.549    229.312  33.962  1.5245  26.016  7.6373  7.945852       7.787992  
1 1 1 -8  34  28 o 47.620  4.4635  1263.25    227.530  1206.08    484.332  1279.44    257.742  44.095  10.323  47.740  5.0619  -3.644478      11.49742  
1 1 1 -8  34  29 o 15.225  1.8776  127.957    30.306   128.332    30.455   89.858     306.872  15.246  1.8844  20.167  8.4220  -4.920930      8.630198  
1 1 1 -8  34  30 o 41.118  2.3335  926.021    103.496  1411.63    492.834  903.617    105.856  47.002  9.9888  40.599  2.4183  6.403088       10.27734  
1 1 1 -8  34  31 o 40.813  5.4299  972.269    234.071  806.429    506.505  1017.30    263.946  33.555  11.531  41.408  6.0649  -7.853531      13.02898  
1 1 1 -8  34  32 o 53.499  5.0688  1670.33    290.211  0.0000     0.0000   1670.33    290.211  ?       ?       53.499  5.0688  0.000000       5.068848  
1 1 1 -8  34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  35  1  o 221.093 4.2058  26484.13   1007.16  26627.29   1424.84  26341.19   1423.83  221.640 5.9354  220.445 5.9633  1.194855       8.413641  
1 1 1 -8  35  2  o 54.866  2.7322  1630.54    162.363  1861.44    231.007  1405.10    228.249  58.503  3.6641  50.753  4.1897  7.750355       5.565898  
1 1 1 -8  35  3  o 295.081 5.5804  47193.33   1783.52  47452.01   2737.51  47002.55   2350.94  295.725 8.5467  294.394 7.3730  1.331207       11.28746  
1 1 1 -8  35  4  o 377.770 7.4626  77404.17   3053.42  80035.74   5291.11  76090.20   3738.81  383.574 12.736  374.398 9.2200  9.175629       15.72289  
1 1 1 -8  35  5  o 324.746 9.2977  57257.43   3270.33  58048.99   3949.80  55531.77   5831.91  326.801 11.159  318.434 16.970  8.366852       20.31045  
1 1 1 -8  35  6  o 102.733 4.0438  5718.60    449.954  6036.32    631.687  5391.36    641.078  105.378 5.5541  99.542  5.9738  5.836487       8.156854  
1 1 1 -8  35  7  o 339.494 8.3046  62567.39   3053.67  61409.28   4315.25  63729.04   4321.83  335.918 11.860  342.233 11.659  -6.314026      16.63168  
1 1 1 -8  35  8  o 226.525 4.8695  27814.60   1194.74  27476.02   1460.96  28498.19   2075.89  225.089 5.9926  229.086 8.3663  -3.997192      10.29109  
1 1 1 -8  35  9  o 215.425 4.0118  25149.84   936.059  25000.51   1324.96  25298.65   1322.62  214.708 5.6975  215.986 5.6538  -1.278824      8.026628  
1 1 1 -8  35  10 o 115.503 3.4770  7229.08    434.985  7377.12    738.607  7150.48    538.224  116.469 5.8740  114.855 4.3266  1.614075       7.295394  
1 1 1 -8  35  11 o 570.938 10.869  177632.09  6721.06  173313.80  8230.83  186273.41  11643.35 563.009 13.498  581.251 18.495  -18.24237      22.89619  
1 1 1 -8  35  12 o 456.517 7.5914  113245.20  3753.60  106219.10  5307.20  120277.70  5309.60  441.283 11.104  469.776 10.435  -28.49274      15.23783  
1 1 1 -8  35  13 o 352.483 6.0518  67443.22   2310.41  65195.39   3267.17  69691.71   3267.66  346.122 8.7151  357.915 8.4292  -11.79263      12.12454  
1 1 1 -8  35  14 o 170.728 3.5077  15798.80   648.626  15618.50   921.605  15975.76   913.046  169.674 5.0149  171.610 4.9122  -1.935760      7.019883  
1 1 1 -8  35  15 o 277.475 4.9602  41773.69   1490.72  43156.85   2111.06  40398.04   2105.33  281.782 6.9170  272.596 7.1307  9.186340       9.934370  
1 1 1 -8  35  16 o 158.492 3.4182  13616.84   586.778  12454.55   834.833  14751.68   824.914  151.488 5.0880  164.899 4.6187  -13.41055      6.871733  
1 1 1 -8  35  17 o 111.458 3.0490  6733.58    368.084  6538.16    518.799  6931.66    522.317  109.779 4.3632  113.038 4.2662  -3.259712      6.102304  
1 1 1 -8  35  18 o 124.056 3.5574  8345.68    477.985  7434.41    821.411  8812.24    587.743  116.720 6.5236  127.439 4.2581  -10.71822      7.790274  
1 1 1 -8  35  19 o 117.480 3.0715  7483.36    390.823  6672.44    767.570  7767.18    454.093  110.518 6.4402  119.665 3.5036  -9.146751      7.331533  
1 1 1 -8  35  20 o 64.028  3.1735  2223.79    220.080  2129.07    431.479  2257.09    255.866  62.154  6.5058  64.383  3.6845  -2.228264      7.476708  
1 1 1 -8  35  21 o 42.898  3.9456  1008.35    181.269  438.474    352.102  1213.86    211.442  28.893  9.6158  47.069  4.1913  -18.17596      10.48955  
1 1 1 -8  35  22 o 96.993  2.9380  5107.57    308.651  4668.54    612.162  5257.22    357.406  92.136  6.1699  98.366  3.3546  -6.229492      7.022952  
1 1 1 -8  35  23 o 48.913  3.4811  1308.20    183.214  1367.15    363.195  1288.08    212.190  49.318  6.9954  48.445  4.0820  0.8729630      8.099260  
1 1 1 -8  35  24 o 79.638  2.6613  3446.29    229.557  3639.11    349.946  3300.65    304.137  81.669  3.9562  77.827  3.6080  3.841835       5.354340  
1 1 1 -8  35  25 o 45.913  4.3768  1164.40    215.017  992.860    454.399  1213.89    244.072  40.815  10.283  46.777  4.8897  -5.961292      11.38676  
1 1 1 -8  35  26 o 39.033  5.0563  853.032    208.741  836.121    444.720  857.810    236.400  37.287  10.542  38.954  5.7782  -1.666981      12.02189  
1 1 1 -8  35  27 o 44.963  2.2888  1102.59    111.095  1069.60    123.962  1237.19    250.411  44.239  2.5985  47.050  4.9900  -2.811722      5.626038  
1 1 1 -8  35  28 o 29.902  1.7629  487.455    56.841   1001.87    450.090  479.118    57.300   40.114  10.305  29.641  1.7932  10.47325       10.45961  
1 1 1 -8  35  29 o 22.464  7.3302  286.314    204.980  843.080    444.358  135.812    231.030  36.397  10.616  19.093  7.5476  17.30462       13.02582  
1 1 1 -8  35  30 o 45.753  4.7678  1184.88    232.796  1241.87    497.725  1168.92    263.380  43.463  10.655  45.124  5.5030  -1.660591      11.99229  
1 1 1 -8  35  31 o 72.582  2.9356  2908.33    230.780  3556.63    608.969  2799.61    249.382  76.159  7.4789  71.066  3.2399  5.093666       8.150567  
1 1 1 -8  35  32 o 34.946  7.1934  774.433    263.195  0.0000     0.0000   774.433    263.195  ?       ?       34.946  7.1934  0.000000       7.193436  
1 1 1 -8  35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  36  1  o 533.772 9.0509  154638.00  5232.60  155083.70  7400.15  154192.30  7399.87  533.950 12.796  532.406 12.832  1.543396       18.12200  
1 1 1 -8  36  2  o 266.113 4.7494  38374.48   1368.92  37681.07   1935.48  39068.57   1936.41  263.614 6.7788  268.429 6.6604  -4.815430      9.503268  
1 1 1 -8  36  3  o 186.329 3.6162  18808.88   729.802  18251.96   1031.30  19367.52   1032.89  183.514 5.1885  189.043 5.0446  -5.528976      7.236620  
1 1 1 -8  36  4  f 138.168 3.1321  10341.40   468.720  9923.79    662.055  10761.07   663.687  135.328 4.5168  140.924 4.3482  -5.596375      6.269653  
1 1 1 -8  36  5  o 225.736 4.1766  27610.80   1021.16  28982.05   1443.63  26237.64   1444.64  231.217 5.7646  219.985 6.0631  11.23170       8.366104  
1 1 1 -8  36  6  o 190.822 5.3086  19738.33   1097.17  19724.96   1549.52  19751.77   1553.76  190.666 7.5033  190.795 7.5188  -0.1287842     10.62222  
1 1 1 -8  36  7  f 430.733 10.195  100863.30  4756.09  92779.69   6723.30  108960.50  6728.96  412.174 15.060  446.949 13.900  -34.77512      20.49449  
1 1 1 -8  36  8  o 213.325 5.7422  24678.14   1326.75  24563.36   1873.01  24793.73   1879.63  212.683 8.1308  213.679 8.1216  -0.9956818     11.49222  
1 1 1 -8  36  9  o 299.604 7.4626  48735.12   2421.63  46927.59   3422.72  50546.84   3426.70  293.593 10.764  304.760 10.381  -11.16742      14.95404  
1 1 1 -8  36  10 o 310.235 6.2825  52224.67   2111.01  51640.27   3655.17  52517.17   2585.88  307.876 10.961  310.951 7.6780  -3.075623      13.38287  
1 1 1 -8  36  11 o 132.073 3.5713  9452.98    510.866  9719.21    626.050  8922.41    883.804  133.898 4.3168  128.216 6.3642  5.682098       7.690108  
1 1 1 -8  36  12 o 219.791 4.1232  26188.32   981.550  25194.46   1386.81  27185.96   1389.44  215.460 5.9426  223.831 5.7313  -8.370316      8.256041  
1 1 1 -8  36  13 o 133.081 3.0924  9597.24    445.734  9443.24    635.442  9746.41    625.404  131.964 4.4458  134.072 4.3068  -2.107010      6.189791  
1 1 1 -8  36  14 o 157.902 3.3510  13513.34   573.094  13673.35   815.357  13357.10   805.685  158.770 4.7414  156.923 4.7403  1.846771       6.704616  
1 1 1 -8  36  15 o 222.122 4.1903  26755.59   1008.11  26663.42   1427.03  26847.40   1424.35  221.586 5.9459  222.352 5.9143  -0.7664032     8.386502  
1 1 1 -8  36  16 f 160.866 3.5930  14029.68   626.024  14692.41   938.047  13497.49   840.608  164.518 5.2643  157.710 4.9211  6.808472       7.206271  
1 1 1 -8  36  17 o 219.229 4.1681  26071.72   989.713  25232.48   1400.76  26908.36   1398.58  215.477 6.0019  222.543 5.8023  -7.066116      8.348066  
1 1 1 -8  36  18 o 189.215 3.7552  19418.99   769.584  19576.60   1091.38  19263.12   1085.36  189.834 5.3080  188.306 5.3216  1.527527       7.516243  
1 1 1 -8  36  19 o 138.107 3.1532  10343.18   471.676  9475.01    919.987  10652.76   549.375  131.904 6.4395  140.129 3.6197  -8.224579      7.387109  
1 1 1 -8  36  20 o 55.024  3.4101  1649.20    202.231  1537.23    394.790  1689.04    235.471  52.584  7.1144  55.635  3.9330  -3.050735      8.129171  
1 1 1 -8  36  21 o 124.071 3.0856  8354.76    414.648  8446.47    825.031  8323.76    479.624  124.349 6.1257  123.794 3.5771  0.5554047      7.093676  
1 1 1 -8  36  22 o 37.794  4.2019  787.214    169.092  842.268    331.708  767.886    196.546  38.334  8.2347  37.185  5.0074  1.148991       9.637683  
1 1 1 -8  36  23 o 30.343  2.1296  501.957    69.544   443.837    74.529   893.336    193.402  28.490  2.4387  40.203  4.5198  -11.71301      5.135800  
1 1 1 -8  36  24 o 47.793  3.9395  1254.65    202.112  1130.26    457.629  1284.79    225.273  43.850  9.8732  48.293  4.3536  -4.443108      10.79043  
1 1 1 -8  36  25 o 38.490  5.0732  828.060    206.339  561.318    443.037  901.946    233.172  31.839  10.787  40.091  5.5159  -8.251808      12.11531  
1 1 1 -8  36  26 o 37.993  1.7612  783.451    72.475   798.582    75.929   628.400    243.062  38.355  1.8278  32.902  7.0338  5.453041       7.267441  
1 1 1 -8  36  27 o 32.307  1.9117  569.016    66.595   318.971    444.460  574.758    67.356   27.066  10.537  32.469  1.9239  -5.403019      10.71136  
1 1 1 -8  36  28 o 36.035  5.9083  746.035    222.603  444.603    459.418  838.515    254.469  29.071  10.856  38.077  6.3971  -9.006067      12.60097  
1 1 1 -8  36  29 o 38.280  5.4507  837.434    219.612  1284.01    474.943  715.985    247.681  45.275  9.9563  34.850  6.8059  10.42460       12.06018  
1 1 1 -8  36  30 o 60.030  2.6224  1973.27    170.505  1918.16    210.443  2078.56    290.904  58.905  3.3119  60.840  4.4454  -1.934822      5.543460  
1 1 1 -8  36  31 o 46.449  5.0785  1250.79    251.337  1171.41    523.253  1274.60    286.559  39.794  11.495  46.427  5.8270  -6.633129      12.88795  
1 1 1 -8  36  32 f ?       ?       -141.6924  30.611   0.0000     0.0000   -141.6924  30.611   ?       ?       ?       ?       0.000000       ?         
1 1 1 -8  36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  37  1  o 274.121 5.0117  40723.20   1487.99  41051.78   2104.56  40394.77   2104.11  275.126 7.0625  272.913 7.1183  2.213623       10.02739  
1 1 1 -8  37  2  o 337.678 5.9279  61814.85   2168.07  59115.39   3065.71  64515.73   3066.52  330.037 8.5763  344.813 8.2109  -14.77637      11.87315  
1 1 1 -8  37  3  o 459.981 7.8753  114797.00  3923.53  112862.20  5548.35  116732.30  5549.05  455.647 11.243  463.423 11.055  -7.775452      15.76753  
1 1 1 -8  37  4  o 147.080 3.1482  11718.80   501.522  11804.74   708.268  11632.38   710.254  147.596 4.4305  146.513 4.4758  1.082428       6.297756  
1 1 1 -8  37  5  o 309.365 5.5401  51883.44   1856.36  51823.49   2624.44  51943.46   2626.15  309.027 7.8410  309.385 7.8370  -0.3578186     11.08599  
1 1 1 -8  37  6  o 454.631 7.6630  112171.10  3773.34  111573.70  5335.66  112768.80  5336.96  452.931 10.876  455.360 10.821  -2.429077      15.34246  
1 1 1 -8  37  7  o 301.720 7.5225  49410.69   2458.33  49331.68   3474.89  49489.86   3478.31  301.141 10.654  301.624 10.647  -0.4832153     15.06198  
1 1 1 -8  37  8  o 444.846 10.583  107689.90  5099.26  102492.10  7209.16  112894.20  7213.74  432.811 15.379  454.456 14.655  -21.64557      21.24339  
1 1 1 -8  37  9  o 128.939 4.3690  9011.72    610.156  10022.79   859.098  7982.59    866.734  135.932 5.8351  121.102 6.6332  14.83031       8.834455  
1 1 1 -8  37  10 o 148.112 4.6089  11893.09   739.359  11966.46   1043.23  11819.05   1048.01  148.488 6.4866  147.567 6.5570  0.9209290      9.223369  
1 1 1 -8  37  11 o 78.448  2.8788  3334.28    244.602  3581.05    342.006  3075.89    349.969  81.283  3.8848  75.201  4.3148  6.081856       5.805898  
1 1 1 -8  37  12 o 224.514 4.2104  27327.91   1023.86  27389.91   1447.59  27265.85   1448.32  224.645 5.9495  224.135 5.9660  0.5106964      8.425560  
1 1 1 -8  37  13 o 211.849 4.0403  24331.69   927.055  25549.21   1313.61  23123.60   1308.51  216.975 5.5897  206.398 5.8533  10.57753       8.093569  
1 1 1 -8  37  14 o 239.128 4.4168  31010.98   1143.96  31462.11   1618.98  30561.16   1616.64  240.694 6.2102  237.214 6.2922  3.480118       8.840732  
1 1 1 -8  37  15 o 151.407 3.2878  12425.22   539.172  13164.47   765.908  11698.97   759.146  155.786 4.5392  146.846 4.7730  8.939621       6.586790  
1 1 1 -8  37  16 o 200.401 4.0086  21779.67   870.088  20851.37   1314.24  22504.04   1160.95  195.893 6.1942  203.603 5.2645  -7.709778      8.129149  
1 1 1 -8  37  17 o 222.374 4.1966  26827.42   1010.77  25648.73   1430.41  28002.89   1428.47  217.223 6.0797  227.010 5.8097  -9.786621      8.409279  
1 1 1 -8  37  18 o 184.523 3.7196  18468.61   743.398  18515.14   1054.03  18422.55   1048.64  184.607 5.2715  184.146 5.2577  0.4606628      7.445258  
1 1 1 -8  37  19 o 150.938 3.3212  12357.09   542.953  11206.17   1080.01  12746.36   628.096  143.360 6.9555  153.262 3.7837  -9.901810      7.918055  
1 1 1 -8  37  20 o 275.306 4.9470  41229.13   1475.12  39178.12   2947.11  41914.74   1703.93  266.450 10.212  277.392 5.6714  -10.94281      11.68115  
1 1 1 -8  37  21 o 103.720 2.9661  5838.42    333.213  5927.41    661.418  5808.15    385.740  104.016 5.8951  103.412 3.4439  0.6043320      6.827383  
1 1 1 -8  37  22 o 91.527  2.9213  4549.27    289.598  3896.93    573.213  4772.84    335.574  84.050  6.3433  93.712  3.3061  -9.662033      7.153204  
1 1 1 -8  37  23 o 127.702 3.1756  8868.67    439.228  7906.22    855.735  9212.92    511.787  119.562 6.6341  130.073 3.6327  -10.51134      7.563613  
1 1 1 -8  37  24 o 71.425  3.2320  2777.25    250.031  3212.73    539.825  2658.31    282.117  75.920  6.6315  69.718  3.7499  6.201874       7.618254  
1 1 1 -8  37  25 o 76.895  2.7390  3217.04    228.118  3183.52    332.689  3246.78    313.391  76.180  4.0466  77.092  3.7532  -0.9123611     5.519206  
1 1 1 -8  37  26 o 78.332  2.4507  3337.60    207.918  3459.09    579.237  3319.63    222.764  78.290  6.9016  78.094  2.6336  0.1953812      7.386992  
1 1 1 -8  37  27 o 56.927  3.9019  1787.17    239.130  1489.38    505.342  1873.09    271.444  49.668  9.7418  58.164  4.3401  -8.495491      10.66481  
1 1 1 -8  37  28 o 44.308  2.0672  1068.13    99.204   1085.71    107.980  972.987    251.225  44.653  2.2326  41.285  5.7765  3.368599       6.192909  
1 1 1 -8  37  29 o 29.796  1.3186  481.868    42.554   -421.5155  449.137  490.051    42.746   18.166  8.5982  30.049  1.3134  -11.88230      8.697927  
1 1 1 -8  37  30 o 11.434  2.5339  74.339     30.556   74.146     30.820   85.516     234.298  11.417  2.5560  17.903  7.4077  -6.486222      7.836270  
1 1 1 -8  37  31 o 51.438  4.5114  1513.92    248.806  1202.56    532.856  1600.74    281.361  39.971  11.616  52.587  5.0000  -12.61611      12.64640  
1 1 1 -8  37  32 o 24.340  8.1318  384.414    251.746  0.0000     0.0000   384.414    251.746  ?       ?       24.340  8.1318  0.000000       8.131762  
1 1 1 -8  37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  38  1  o 473.271 8.5180  121572.00  4366.35  121238.40  5715.62  122039.70  6766.43  472.240 11.175  473.439 13.195  -1.199036      17.29136  
1 1 1 -8  38  2  o 117.933 3.0093  7534.19    384.393  7344.54    543.299  7724.28    543.930  116.422 4.3086  119.396 4.2061  -2.973450      6.021244  
1 1 1 -8  38  3  f 53.994  2.8544  1583.64    166.337  1340.37    237.894  1816.33    232.665  49.531  4.4830  57.780  3.7378  -8.248085      5.836802  
1 1 1 -8  38  4  o 331.490 5.8406  59577.25   2097.01  59390.27   2965.31  59764.32   2965.94  330.778 8.2768  331.820 8.2526  -1.042267      11.68807  
1 1 1 -8  38  5  o 301.742 5.3778  49358.68   1757.56  49441.82   2484.94  49275.45   2486.19  301.840 7.6010  301.331 7.6176  0.5096436      10.76118  
1 1 1 -8  38  6  o 403.953 6.7664  88525.92   2960.47  88489.48   4186.15  88562.39   4187.31  403.513 9.5783  403.679 9.5770  -0.1663818     13.54481  
1 1 1 -8  38  7  o 483.150 8.1574  126770.60  4268.76  129012.10  6036.36  124528.10  6037.51  486.744 11.450  478.163 11.658  8.581543       16.34024  
1 1 1 -8  38  8  o 581.392 12.417  184346.30  7819.15  189680.20  12155.33 180581.20  10212.57 586.929 19.121  573.916 16.429  13.01263       25.20975  
1 1 1 -8  38  9  o 136.126 4.4343  10044.81   653.783  9891.34    919.435  10201.77   929.830  135.016 6.2873  137.119 6.2609  -2.103485      8.872945  
1 1 1 -8  38  10 o 290.861 7.2938  45945.23   2297.80  47675.48   3251.29  44218.61   3247.87  295.897 10.145  284.908 10.525  10.98868       14.61829  
1 1 1 -8  38  11 o 158.569 5.1051  13637.75   876.781  14287.46   1146.81  12723.70   1360.24  162.223 6.5269  152.754 8.2522  9.469421       10.52136  
1 1 1 -8  38  12 o 385.441 8.3565  80812.66   3488.60  79273.14   4540.37  83031.38   5450.69  381.136 10.999  389.502 12.920  -8.365814      16.96776  
1 1 1 -8  38  13 o 167.430 3.4950  15193.97   633.788  14884.62   896.278  15503.37   896.346  165.644 4.9957  169.058 4.8952  -3.413635      6.994289  
1 1 1 -8  38  14 o 201.016 3.9139  21907.75   852.136  21536.57   1205.58  22278.33   1204.62  199.188 5.5881  202.598 5.4897  -3.409393      7.833467  
1 1 1 -8  38  15 o 130.707 3.1345  9259.37    443.747  8741.84    631.125  9765.36    624.042  126.945 4.5902  134.185 4.2938  -7.240067      6.285418  
1 1 1 -8  38  16 o 216.811 4.0887  25495.06   960.150  27048.56   1360.96  23955.65   1354.77  223.168 5.6305  209.986 5.9567  13.18221       8.196624  
1 1 1 -8  38  17 o 180.258 3.6827  17621.19   719.005  17634.61   1025.31  17608.21   1008.55  180.197 5.2534  180.070 5.1711  0.1270294      7.371448  
1 1 1 -8  38  18 o 106.852 3.0125  6189.88    348.638  6893.98    499.632  5521.70    486.720  112.713 4.0927  100.854 4.4557  11.85886       6.050047  
1 1 1 -8  38  19 f 210.094 4.1757  23965.91   950.197  25321.99   1792.51  23435.92   1120.60  215.291 7.6871  207.644 4.9826  7.647125       9.160717  
1 1 1 -8  38  20 o 54.813  1.9002  1628.24    112.811  1960.12    171.875  1377.06    149.527  60.121  2.6395  50.314  2.7543  9.807205       3.814828  
1 1 1 -8  38  21 o 147.144 3.2837  11757.77   523.334  10856.82   1036.76  12065.83   606.238  140.757 6.8005  148.996 3.7566  -8.238922      7.769083  
1 1 1 -8  38  22 o 83.843  2.9264  3818.09    265.746  4386.10    527.153  3624.55    307.706  89.376  5.4719  81.641  3.4798  7.734978       6.484683  
1 1 1 -8  38  23 o 108.552 2.9956  6406.15    352.202  5656.53    691.115  6669.13    409.345  101.137 6.3412  110.694 3.4143  -9.556801      7.201961  
1 1 1 -8  38  24 o 136.441 3.3708  10141.03   498.140  10236.63   1045.42  10112.95   566.599  135.529 7.1471  136.133 3.8428  -0.6040802     8.114632  
1 1 1 -8  38  25 o 82.195  3.2370  3683.17    288.177  3581.43    594.937  3714.36    329.399  79.827  6.9503  82.460  3.6881  -2.633446      7.868260  
1 1 1 -8  38  26 o 39.259  5.0471  863.844    209.640  766.091    451.119  890.769    236.758  35.714  10.768  39.708  5.6657  -3.993851      12.16772  
1 1 1 -8  38  27 o 55.120  3.9657  1677.71    235.173  1279.19    497.146  1792.60    266.927  45.630  10.303  56.871  4.3667  -11.24146      11.19023  
1 1 1 -8  38  28 o 19.600  7.2040  184.496    200.805  341.670    432.028  141.184    226.792  26.892  10.411  19.164  7.5086  7.728092       12.83635  
1 1 1 -8  38  29 o 44.739  4.7739  1127.86    227.756  1084.76    486.549  1139.96    257.738  40.951  10.811  44.730  5.4314  -3.779655      12.09846  
1 1 1 -8  38  30 o 32.217  6.7957  627.164    229.673  702.063    477.406  604.609    261.982  32.441  11.192  31.194  7.7803  1.247484       13.63101  
1 1 1 -8  38  31 o 43.430  1.9792  1031.49    93.101   1059.58    503.385  1030.50    94.736   37.549  11.387  43.402  2.0153  -5.852459      11.56384  
1 1 1 -8  38  32 o 18.743  8.4532  -20.1558   363.251  0.0000     0.0000   -20.1558   363.251  ?       ?       18.743  8.4532  0.000000       8.453157  
1 1 1 -8  38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  39  1  o 203.911 3.8415  22528.65   848.425  22728.84   1200.61  22328.96   1199.10  204.766 5.4135  202.955 5.4549  1.810760       7.685136  
1 1 1 -8  39  2  o 294.820 6.0400  47128.92   1928.71  48088.35   2728.33  46170.49   2726.90  297.630 8.4635  291.621 8.6334  6.009644       12.08989  
1 1 1 -8  39  3  o 583.619 10.433  185153.70  6594.93  187333.91  10242.44 183609.80  8619.42  585.513 16.151  580.389 13.712  5.123535       21.18633  
1 1 1 -8  39  4  o 111.445 2.8772  6728.10    347.299  6556.87    491.534  6898.81    490.777  110.000 4.1256  112.834 4.0158  -2.833618      5.757387  
1 1 1 -8  39  5  o 88.334  2.6345  4226.83    252.061  4282.25    353.651  4169.61    359.354  88.900  3.6728  87.722  3.7822  1.178368       5.272066  
1 1 1 -8  39  6  o 124.724 3.0078  8427.62    406.326  8366.08    572.307  8490.16    576.985  124.245 4.2528  125.163 4.2562  -0.9179230     6.016780  
1 1 1 -8  39  7  o 244.337 4.5538  32360.83   1205.12  33738.54   1703.73  30981.28   1704.86  249.379 6.3077  238.952 6.5873  10.42644       9.120302  
1 1 1 -8  39  8  o 237.134 4.2854  30479.45   1100.65  30260.61   1554.53  30699.44   1558.60  236.176 6.0770  237.885 6.0492  -1.708237      8.574564  
1 1 1 -8  39  9  o 303.995 6.8413  50166.26   2252.55  52773.18   3540.22  48392.93   2919.85  311.290 10.500  298.308 9.0370  12.98163       13.85353  
1 1 1 -8  39  10 o 85.098  3.4627  3924.39    319.160  4439.80    520.786  3614.38    403.895  90.315  5.3477  81.518  4.5932  8.796700       7.049507  
1 1 1 -8  39  11 o 190.898 5.3254  19769.16   1101.09  19348.63   1555.58  20191.42   1558.79  188.688 7.6116  192.766 7.4660  -4.078461      10.66197  
1 1 1 -8  39  12 o 159.199 4.8430  13746.40   835.075  13347.31   1189.91  14133.73   1172.23  156.739 7.0092  161.312 6.7093  -4.573196      9.702773  
1 1 1 -8  39  13 o 237.858 6.2414  30723.05   1607.94  30078.24   2276.21  31365.33   2271.75  235.011 8.9424  240.017 8.7387  -5.005798      12.50326  
1 1 1 -8  39  14 o 311.609 5.4736  52704.25   1847.36  50588.67   2612.32  54820.60   2612.80  304.915 7.9100  317.470 7.5986  -12.55539      10.96847  
1 1 1 -8  39  15 o 86.851  2.9707  4088.00    279.451  4459.74    400.463  3735.17    390.145  90.685  4.0771  82.869  4.3621  7.815773       5.970821  
1 1 1 -8  39  16 o 231.912 4.3290  29177.35   1087.37  28199.42   1538.91  30152.40   1536.64  227.779 6.2377  235.563 6.0227  -7.784348      8.670809  
1 1 1 -8  39  17 o 188.470 3.7271  19264.54   760.817  19347.73   1080.68  19182.80   1071.29  188.738 5.2865  187.934 5.2630  0.8037109      7.459656  
1 1 1 -8  39  18 o 60.048  3.3596  1961.61    217.625  2079.56    320.746  1860.98    296.247  61.688  4.8394  58.348  4.7283  3.340008       6.765825  
1 1 1 -8  39  19 o 91.236  2.9725  4514.20    293.736  3927.73    590.532  4707.00    338.595  84.639  6.4912  93.147  3.3562  -8.507935      7.307503  
1 1 1 -8  39  20 o 152.987 3.3566  12704.66   556.193  12556.80   1114.26  12753.72   641.877  151.548 6.7884  153.223 3.8677  -1.674957      7.812899  
1 1 1 -8  39  21 o 187.778 3.7533  19169.06   763.357  20760.79   1529.42  18640.97   880.930  194.397 7.2638  185.042 4.3954  9.355484       8.490174  
1 1 1 -8  39  22 o 128.943 3.1912  9037.16    445.677  8807.34    881.972  9115.96    516.468  126.419 6.4629  129.425 3.6843  -3.006287      7.439283  
1 1 1 -8  39  23 o 48.025  3.7312  1264.24    192.557  1054.33    384.874  1334.33    222.392  42.711  8.6169  49.267  4.2080  -6.555931      9.589458  
1 1 1 -8  39  24 o 26.719  6.7452  411.139    195.228  -32.8638   414.931  537.378    221.248  21.770  9.4582  30.540  6.8567  -8.769293      11.68213  
1 1 1 -8  39  25 o 27.045  6.9189  423.708    203.496  774.347    422.208  317.605    232.253  36.066  10.298  24.029  7.8007  12.03780       12.91909  
1 1 1 -8  39  26 o 25.785  6.9101  386.422    196.901  711.590    424.916  297.507    222.197  34.484  10.463  23.258  7.6339  11.22684       12.95163  
1 1 1 -8  39  27 f 57.994  2.5758  1832.94    161.793  1721.00    200.255  2043.38    274.564  55.984  3.3173  60.779  4.1965  -4.795425      5.349308  
1 1 1 -8  39  28 o 64.824  3.6841  2318.22    257.595  2622.91    543.698  2230.03    292.509  67.049  7.6222  63.369  4.2870  3.680317       8.745067  
1 1 1 -8  39  29 o 20.212  7.3042  208.822    205.177  -205.2432  443.037  321.877    231.499  19.807  9.0876  23.648  7.7935  -3.840857      11.97177  
1 1 1 -8  39  30 o 14.082  6.3530  -75.1019   205.389  82.324     449.353  -116.6771  230.923  22.506  9.8098  14.409  6.5926  8.096972       11.81923  
1 1 1 -8  39  31 o 19.391  7.3920  193.666    215.485  414.297    468.885  134.592    242.624  26.316  10.634  18.629  7.6042  7.686325       13.07281  
1 1 1 -8  39  32 o 33.017  12.710  944.164    640.968  0.0000     0.0000   944.164    640.968  ?       ?       33.017  12.710  0.000000       12.70964  
1 1 1 -8  39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  39  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  40  1  o 254.767 4.3605  35173.94   1203.22  35086.71   1702.02  35261.08   1701.21  254.364 6.1779  254.996 6.1596  -0.6322632     8.723939  
1 1 1 -8  40  2  o 179.709 3.8484  17498.93   749.056  18193.93   1122.81  16941.55   1005.52  183.186 5.6591  176.783 5.2514  6.402985       7.720283  
1 1 1 -8  40  3  o 266.592 4.9288  38523.55   1423.18  36381.20   2011.93  40669.09   2013.43  258.943 7.1736  273.805 6.7893  -14.86182      9.877031  
1 1 1 -8  40  4  o 275.418 5.3024  41124.22   1581.74  40248.01   2087.62  42305.19   2423.64  272.353 7.0770  279.150 8.0160  -6.797180      10.69302  
1 1 1 -8  40  5  o 238.002 4.3860  30700.39   1130.63  31124.26   1598.19  30275.71   1599.72  239.548 6.1598  236.255 6.2516  3.293518       8.776443  
1 1 1 -8  40  6  f 267.127 4.8536  38683.27   1404.29  38030.60   1985.37  39336.72   1986.56  264.724 6.9243  269.240 6.8122  -4.516449      9.713559  
1 1 1 -8  40  7  o 350.841 6.5642  66792.80   2494.38  66136.63   3275.87  67698.16   3847.95  348.853 8.6699  352.733 10.072  -3.879456      13.28952  
1 1 1 -8  40  8  f 114.307 2.9001  7078.90    359.045  7151.67    507.042  7005.71    508.493  114.870 4.0754  113.690 4.1294  1.179489       5.801815  
1 1 1 -8  40  9  o 108.647 2.8127  6395.26    330.983  6498.57    467.557  6291.50    468.605  109.499 3.9423  107.739 4.0157  1.760338       5.627444  
1 1 1 -8  40  10 o 238.526 5.0030  30856.16   1292.52  29433.96   1581.06  33721.71   2244.25  232.868 6.2686  249.038 8.3202  -16.16969      10.41736  
1 1 1 -8  40  11 o 198.364 5.4592  21348.64   1172.92  20670.31   1656.82  22030.14   1660.70  194.996 7.8447  201.330 7.6157  -6.333923      10.93341  
1 1 1 -8  40  12 o 298.156 7.4635  48321.59   2410.23  47120.08   3407.70  49524.35   3409.47  293.850 10.707  301.308 10.447  -7.458344      14.95947  
1 1 1 -8  40  13 o 401.158 9.7078  87740.26   4218.00  87438.82   5966.03  88041.52   5964.29  399.102 13.802  400.495 13.750  -1.393463      19.48174  
1 1 1 -8  40  14 o 308.549 7.6557  51790.88   2558.48  53543.83   3625.00  50050.95   3611.50  313.057 10.691  302.591 11.019  10.46588       15.35335  
1 1 1 -8  40  15 o 127.076 3.1668  8752.61    435.863  8684.96    624.067  8817.04    609.015  126.526 4.5539  127.492 4.4104  -0.9653702     6.339482  
1 1 1 -8  40  16 o 222.855 4.1831  26941.53   1009.69  27864.40   1429.68  26023.19   1426.15  226.459 5.8288  218.826 6.0172  7.633408       8.377463  
1 1 1 -8  40  17 o 203.941 3.9580  22562.82   874.277  21852.24   1238.59  23268.42   1234.25  200.520 5.7030  206.940 5.5066  -6.420364      7.927608  
1 1 1 -8  40  18 f 144.051 3.3365  11254.12   520.573  11536.97   766.862  11012.37   708.947  145.730 4.8584  142.401 4.5965  3.328598       6.688239  
1 1 1 -8  40  19 o 44.928  4.4864  1107.61    215.393  1382.10    376.868  974.457    262.489  49.803  7.1952  41.884  5.9537  7.918835       9.339038  
1 1 1 -8  40  20 o 129.360 3.1228  9081.92    437.531  10234.68   879.101  8702.34    504.448  136.942 5.9270  126.575 3.6796  10.36680       6.976245  
1 1 1 -8  40  21 o 56.884  3.2871  1763.65    201.655  1630.73    412.214  1805.47    231.210  54.008  7.2281  57.504  3.7325  -3.495060      8.134885  
1 1 1 -8  40  22 o 119.630 3.0522  7777.59    395.474  8138.77    795.343  7658.96    455.817  121.757 6.0310  118.641 3.5472  3.115898       6.996851  
1 1 1 -8  40  23 o 121.752 3.0768  8062.83    405.741  8320.15    809.457  7976.48    468.901  122.906 6.0806  121.006 3.5777  1.900101       7.055076  
1 1 1 -8  40  24 o 53.906  2.3856  1578.63    139.282  1400.65    471.709  1595.63    145.782  49.008  9.2252  54.188  2.4839  -5.180424      9.553767  
1 1 1 -8  40  25 o 54.239  3.8975  1617.30    227.441  994.170    478.507  1799.17    258.509  40.585  10.724  57.155  4.2055  -16.56980      11.51943  
1 1 1 -8  40  26 f 125.858 3.2723  8652.41    446.066  8887.75    891.708  8573.86    515.154  125.784 6.5680  125.098 3.8020  0.6860428      7.589115  
1 1 1 -8  40  27 o ?       ?       -195.9876  24.531   326.380    414.625  -197.8226  24.574   26.580  10.225  ?       ?       0.000000       10.22479  
1 1 1 -8  40  28 o 77.568  3.4092  3302.48    286.418  2767.64    596.979  3462.41    326.444  68.479  8.2126  79.295  3.8009  -10.81600      9.049522  
1 1 1 -8  40  29 o 5.6686  2.1974  11.034     19.264   115.089    28.849   -72.7041   25.880   14.420  1.8929  3.3625  1.6832  11.05708       2.533009  
1 1 1 -8  40  30 o 55.397  4.2128  1729.41    250.881  1264.97    531.994  1862.23    284.503  42.361  11.361  57.271  4.6260  -14.91002      12.26672  
1 1 1 -8  40  31 o 23.946  2.0329  316.004    52.227   309.155    53.232   492.245    270.035  23.670  2.0981  27.361  8.3495  -3.691269      8.609088  
1 1 1 -8  40  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  40  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  41  1  o 59.298  2.6206  1904.74    168.308  2109.06    240.171  1707.56    235.932  62.288  3.5749  55.999  3.9145  6.288723       5.301263  
1 1 1 -8  41  2  o 20.407  4.6192  234.754    99.720   62.672     150.379  369.815    133.224  15.235  6.0681  25.684  4.9687  -10.44921      7.842834  
1 1 1 -8  41  3  o 127.334 2.9438  8783.72    406.000  8606.26    573.328  8962.22    575.016  126.019 4.2005  128.600 4.1283  -2.581154      5.889533  
1 1 1 -8  41  4  o 420.946 7.7016  96195.88   3511.36  94858.80   4600.82  98061.25   5434.21  417.631 10.171  424.305 11.825  -6.673920      15.59729  
1 1 1 -8  41  5  o 130.155 3.0112  9177.64    424.499  9188.88    599.783  9166.36    600.883  130.209 4.2529  130.049 4.2659  0.1599731      6.023711  
1 1 1 -8  41  6  o 156.120 3.4201  13206.58   578.322  13206.16   785.267  13207.07   854.906  156.082 4.6451  156.074 5.0573  0.8895874E-02  6.866813  
1 1 1 -8  41  7  o 370.934 6.2701  74654.49   2519.08  74843.50   3561.87  74465.34   3563.16  371.053 8.8628  370.111 8.8886  0.9426575      12.55216  
1 1 1 -8  41  8  o 291.195 5.5455  45993.08   1749.03  45836.77   2305.96  46204.81   2683.83  290.530 7.3281  291.556 8.4989  -1.026184      11.22195  
1 1 1 -8  41  9  o 133.357 3.5751  9637.75    516.386  9624.76    891.033  9644.32    633.644  133.173 6.1774  133.378 4.3862  -0.2048950     7.576231  
1 1 1 -8  41  10 o 12.332  5.5283  -72.1058   152.742  -181.7872  183.785  172.835    274.647  12.108  5.6576  21.759  8.3332  -9.651000      10.07229  
1 1 1 -8  41  11 o 61.783  3.0111  2068.38    201.495  2114.30    280.335  2019.29    289.815  62.309  4.1781  60.864  4.4266  1.444103       6.087002  
1 1 1 -8  41  12 o 232.325 6.0968  29304.59   1534.16  29849.71   2173.84  28763.67   2165.45  234.186 8.5703  229.869 8.6976  4.316925       12.21057  
1 1 1 -8  41  13 o 213.834 5.7863  24823.35   1340.14  24631.95   1908.51  25009.51   1882.24  212.735 8.2829  214.382 8.1062  -1.646851      11.58955  
1 1 1 -8  41  14 o 438.720 10.543  105147.10  5009.70  106320.30  7088.17  103976.20  7081.40  439.265 14.898  434.318 15.054  4.947357       21.17950  
1 1 1 -8  41  15 o 141.477 4.6058  10859.73   705.761  11198.42   1025.20  10554.63   973.033  143.525 6.5949  139.351 6.4469  4.174850       9.222549  
1 1 1 -8  41  16 o 333.272 8.2013  60552.12   2960.40  62095.89   4195.57  59021.40   4177.78  336.411 11.515  327.884 11.764  8.527161       16.46143  
1 1 1 -8  41  17 o 70.171  3.2296  2669.78    245.460  2520.58    356.983  2803.58    338.054  67.955  4.8827  71.739  4.3715  -3.783966      6.553697  
1 1 1 -8  41  18 o 91.835  3.0799  4573.36    306.347  4861.15    452.458  4329.75    416.279  94.615  4.4152  89.300  4.3039  5.314949       6.165833  
1 1 1 -8  41  19 o 125.296 3.5985  8521.50    488.347  9044.57    852.928  8266.40    595.641  128.806 6.1137  123.331 4.4591  5.474907       7.567102  
1 1 1 -8  41  20 o 139.207 3.2149  10519.93   484.733  9775.62    971.304  10766.78   559.369  133.479 6.7403  140.779 3.6685  -7.299774      7.673952  
1 1 1 -8  41  21 f 95.650  2.9316  4967.78    303.707  4813.92    613.382  5017.75    349.565  93.556  6.0864  96.090  3.3588  -2.533607      6.951622  
1 1 1 -8  41  22 o 63.651  3.1003  2202.37    213.737  2176.32    436.118  2210.60    245.204  62.547  6.5341  63.632  3.5723  -1.084732      7.446847  
1 1 1 -8  41  23 o 25.987  0.8094  365.831    22.781   316.434    31.052   423.406    33.524   24.164  1.1864  27.953  1.1073  -3.788799      1.622861  
1 1 1 -8  41  24 o 36.577  1.2169  725.163    48.211   751.177    49.420   212.761    219.332  37.227  1.2257  21.031  7.5582  16.19677       7.656896  
1 1 1 -8  41  25 o 108.380 3.1514  6404.44    369.936  6450.88    754.072  6389.71    424.534  107.414 6.5123  108.138 3.6246  -0.7236786     7.453085  
1 1 1 -8  41  26 o 44.419  4.5562  1097.65    216.098  1145.10    459.307  1084.17    244.896  43.464  9.9689  43.954  5.2479  -0.4899139     11.26587  
1 1 1 -8  41  27 o 18.213  6.9906  135.549    193.539  34.849     424.467  161.979    217.460  22.386  9.6458  19.482  7.4260  2.904022       12.17316  
1 1 1 -8  41  28 o 48.330  4.4443  1304.51    230.038  1255.19    488.150  1318.59    260.813  44.693  10.296  48.382  5.0515  -3.689056      11.46864  
1 1 1 -8  41  29 o 18.356  7.1535  137.742    205.004  611.213    443.457  9.0571     231.191  31.278  10.787  16.503  7.1148  14.77470       12.92243  
1 1 1 -8  41  30 o 30.077  7.2873  563.240    234.901  901.598    479.929  456.647    269.372  35.615  11.176  26.833  8.3649  8.782415       13.95941  
1 1 1 -8  41  31 o 13.006  1.5565  93.480     21.491   336.989    32.042   -105.6504  28.975   24.899  1.1881  3.2056  1.6258  21.69389       2.013696  
1 1 1 -8  41  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  41  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  41  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  42  1  o 59.650  2.6912  1927.48    173.870  1950.50    248.583  1905.43    243.281  59.872  3.8538  59.176  3.8160  0.6958504      5.423476  
1 1 1 -8  42  2  o 134.018 2.9819  9730.37    432.839  9773.40    611.638  9687.21    612.618  134.290 4.2051  133.696 4.2306  0.5940094      5.964983  
1 1 1 -8  42  3  o 138.163 3.0639  10341.84   458.504  9633.30    647.286  11055.37   649.566  133.316 4.4827  142.825 4.1990  -9.508896      6.142206  
1 1 1 -8  42  4  o 350.297 6.5483  66577.27   2484.46  65015.87   3263.15  68730.71   3832.17  345.916 8.7096  355.481 9.9531  -9.565247      13.22576  
1 1 1 -8  42  5  o 376.042 6.9520  76748.34   2831.49  75038.38   3715.22  79117.90   4373.48  371.518 9.2328  381.250 10.591  -9.732239      14.05062  
1 1 1 -8  42  6  o 299.419 5.2283  48614.11   1695.54  49860.99   2397.47  47366.43   2398.24  303.047 7.3042  295.349 7.4970  7.697998       10.46691  
1 1 1 -8  42  7  o 567.229 9.4288  175020.09  5792.78  175973.80  8191.60  174066.09  8192.85  567.518 13.327  564.405 13.402  3.112854       18.90013  
1 1 1 -8  42  8  o 81.804  2.7331  3625.45    242.155  3503.38    344.011  3745.34    340.928  80.398  3.9506  83.130  3.7865  -2.732803      5.472126  
1 1 1 -8  42  9  o 190.005 4.3441  19572.43   894.002  20505.68   1546.79  19104.30   1095.52  194.286 7.3505  187.665 5.3897  6.621536       9.114802  
1 1 1 -8  42  10 o 152.044 3.7785  12530.18   622.237  12041.21   759.202  13530.77   1086.03  149.012 4.7040  157.872 6.3514  -8.860321      7.903623  
1 1 1 -8  42  11 o 163.128 3.4310  14422.30   606.208  14000.40   852.165  14854.54   862.544  160.661 4.8972  165.493 4.8121  -4.832718      6.865713  
1 1 1 -8  42  12 o 17.254  6.2305  133.783    149.248  26.927     198.264  273.517    226.723  16.252  6.7768  23.118  7.7171  -6.865768      10.27023  
1 1 1 -8  42  13 o 183.298 4.2588  18219.85   845.511  17587.81   1464.88  18535.60   1035.39  179.833 7.5208  184.820 5.1723  -4.987366      9.127707  
1 1 1 -8  42  14 o 90.914  4.1829  4482.48    411.888  4002.84    597.285  4917.39    568.756  85.583  6.4919  95.010  5.5511  -9.426628      8.541633  
1 1 1 -8  42  15 o 210.131 5.7022  23983.03   1297.79  24480.42   1841.83  23492.57   1828.96  211.993 8.0215  207.655 8.1319  4.338043       11.42245  
1 1 1 -8  42  16 f 161.680 4.8809  14190.69   854.732  14367.97   1222.05  14020.91   1195.92  162.486 6.9439  160.519 6.8787  1.967117       9.774173  
1 1 1 -8  42  17 o 141.987 4.5782  10945.53   704.071  11450.87   1014.12  10475.30   978.258  145.046 6.4553  138.724 6.5108  6.322205       9.168456  
1 1 1 -8  42  18 o 81.193  3.5421  3576.71    311.498  3493.64    396.684  3710.33    503.085  80.063  4.5937  82.384  5.6726  -2.320442      7.299365  
1 1 1 -8  42  19 o 64.319  2.4639  2242.99    171.647  1816.14    339.957  2389.04    198.856  57.482  5.5286  66.370  2.7663  -8.888535      6.182007  
1 1 1 -8  42  20 o 58.270  3.3942  1850.25    213.289  1750.77    445.249  1879.87    242.982  55.984  7.5342  58.685  3.8440  -2.701572      8.458196  
1 1 1 -8  42  21 o 94.541  2.9794  4854.38    305.080  4544.69    623.423  4951.90    349.831  90.792  6.3802  95.446  3.3840  -4.653702      7.222068  
1 1 1 -8  42  22 o 40.904  3.9148  919.959    171.318  582.472    353.926  1023.23    195.783  31.950  9.5165  43.104  4.2488  -11.15457      10.42190  
1 1 1 -8  42  23 o 74.228  2.6650  2994.16    214.256  2678.17    489.535  3069.04    238.292  69.297  6.6021  75.123  2.9286  -5.826393      7.222510  
1 1 1 -8  42  24 o 51.631  4.0394  1466.40    224.090  1229.05    467.649  1537.14    255.311  45.581  9.7664  52.770  4.5103  -7.189232      10.75761  
1 1 1 -8  42  25 o 44.451  2.0392  1073.19    98.180   788.661    451.819  1087.29    100.583  36.287  10.740  44.740  2.0757  -8.453495      10.93835  
1 1 1 -8  42  26 o 15.384  6.5101  18.532     187.223  -111.5391  411.479  52.491     210.247  20.438  9.1240  16.895  7.0060  3.543301       11.50356  
1 1 1 -8  42  27 o 48.198  4.3407  1292.20    224.169  1353.94    477.503  1274.74    253.885  47.091  9.6852  47.669  4.9914  -0.5771828     10.89577  
1 1 1 -8  42  28 o 86.857  2.8862  4126.23    271.517  4214.82    423.574  4064.44    353.755  87.061  4.5074  85.893  3.8025  1.167984       5.897119  
1 1 1 -8  42  29 o 46.208  4.7053  1206.81    232.208  1193.49    497.101  1210.53    262.621  42.522  10.779  45.995  5.3729  -3.472652      12.04388  
1 1 1 -8  42  30 o 59.688  2.4576  1955.14    158.882  1543.48    537.011  1994.63    166.329  47.087  10.764  60.258  2.5485  -13.17104      11.06181  
1 1 1 -8  42  31 o 48.368  6.9754  1446.21    354.860  1616.01    528.416  1306.73    478.921  47.621  10.525  42.720  10.439  4.901402       14.82400  
1 1 1 -8  42  32 o 21.622  9.7320  80.378     478.642  0.0000     0.0000   80.378     478.642  ?       ?       21.622  9.7320  0.000000       9.731987  
1 1 1 -8  42  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  43  1  o 316.825 5.4903  54431.15   1884.01  53260.59   2664.58  55601.39   2664.21  313.186 7.8552  320.012 7.6866  -6.826416      10.99033  
1 1 1 -8  43  2  o 230.799 4.1337  28868.97   1033.33  28555.57   1461.29  29182.43   1461.42  229.455 5.8799  231.963 5.8168  -2.508606      8.270947  
1 1 1 -8  43  3  o 286.245 5.3949  44430.29   1672.60  45672.25   2206.73  42753.43   2564.15  290.087 7.0234  280.528 8.4391  9.559082       10.97939  
1 1 1 -8  43  4  o 607.008 11.016  200649.09  7242.37  197364.91  9462.60  205293.59  11253.04 600.788 14.542  611.668 16.986  -10.88043      22.36022  
1 1 1 -8  43  5  o 112.306 2.8623  6833.10    348.169  6438.11    489.047  7239.06    495.794  108.989 4.1428  115.574 3.9607  -6.584877      5.731508  
1 1 1 -8  43  6  o 253.869 4.8362  34943.17   1329.79  33806.36   2029.24  35798.80   1760.48  249.502 7.5091  256.853 6.3282  -7.350708      9.819995  
1 1 1 -8  43  7  o 306.418 5.3209  50922.04   1765.90  51372.41   2496.14  50470.77   2498.57  307.547 7.4935  304.828 7.5678  2.719696       10.65007  
1 1 1 -8  43  8  o 599.083 9.7714  195399.09  6340.38  194066.41  8966.03  196732.20  8967.26  595.422 13.903  599.541 13.809  -4.118530      19.59557  
1 1 1 -8  43  9  o 358.421 7.0556  69776.18   2739.03  70689.16   4743.64  69319.55   3354.79  359.713 12.175  356.978 8.6767  2.735840       14.95079  
1 1 1 -8  43  10 o 171.972 4.0616  16032.84   756.523  16166.71   924.206  15760.99   1317.04  172.645 4.9425  170.322 7.1393  2.323135       8.683194  
1 1 1 -8  43  11 o 153.823 3.3335  12823.57   555.389  13208.77   783.170  12433.87   787.726  156.062 4.6333  151.407 4.8035  4.655090       6.673890  
1 1 1 -8  43  12 o 120.060 3.0454  7811.31    396.022  8301.23    561.814  7327.46    558.321  123.731 4.1922  116.239 4.4347  7.492035       6.102545  
1 1 1 -8  43  13 o 76.358  2.9862  3159.66    246.967  3065.33    346.363  3257.23    352.240  75.061  4.2781  77.387  4.2184  -2.326012      6.008047  
1 1 1 -8  43  14 o 109.656 2.9445  6516.65    349.712  6116.61    488.033  6938.85    501.371  106.196 4.2430  113.115 4.0923  -6.918732      5.894917  
1 1 1 -8  43  15 o 94.176  4.2047  4811.12    428.891  4564.66    624.987  5030.50    589.641  91.416  6.3516  96.065  5.6924  -4.649132      8.529160  
1 1 1 -8  43  16 o 131.569 4.3697  9393.50    622.698  11017.92   899.063  7895.81    863.282  142.380 5.8300  120.284 6.6522  22.09557       8.845381  
1 1 1 -8  43  17 o 104.425 4.3894  5919.88    496.461  5880.98    753.861  5949.66    659.724  103.694 6.7490  104.426 5.8565  -0.7326431     8.935746  
1 1 1 -8  43  18 o 151.663 4.6992  12499.99   771.915  13252.98   1110.27  11795.48   1073.94  155.905 6.5751  147.057 6.7426  8.848206       9.417717  
1 1 1 -8  43  19 o 147.769 4.7071  11878.96   753.373  11825.56   1086.02  11928.49   1045.97  147.071 6.8177  147.767 6.5354  -0.6953125     9.444201  
1 1 1 -8  43  20 o 120.021 3.0695  7820.63    399.014  7515.79    808.088  7918.92    458.853  117.000 6.4011  120.726 3.5092  -3.726585      7.299863  
1 1 1 -8  43  21 o 18.524  6.4088  170.591    156.581  405.587    342.991  108.722    175.990  27.890  9.4908  17.268  6.6562  10.62267       11.59229  
1 1 1 -8  43  22 o 25.074  1.7247  342.518    46.553   335.535    47.915   460.194    196.693  24.810  1.7952  28.343  6.5403  -3.532995      6.782195  
1 1 1 -8  43  23 o 158.496 3.4176  13684.91   586.690  14888.37   1193.76  13301.66   673.662  163.937 6.7231  156.095 3.9846  7.841995       7.815155  
1 1 1 -8  43  24 o 129.452 3.2444  9133.93    454.901  9220.24    918.952  9105.92    523.548  128.605 6.6198  129.116 3.7438  -0.5110931     7.605059  
1 1 1 -8  43  25 o 37.934  5.3533  810.110    213.837  662.154    436.776  856.753    245.238  33.590  10.676  38.845  6.0238  -5.255726      12.25850  
1 1 1 -8  43  26 f 73.630  3.3689  2965.58    268.667  3476.13    560.196  2813.06    306.177  78.337  6.6658  71.468  3.9711  6.869202       7.758988  
1 1 1 -8  43  27 o 66.759  2.1571  2425.52    155.976  2417.00    245.408  2431.30    202.032  66.308  3.4288  66.727  2.7954  -0.4191818     4.423902  
1 1 1 -8  43  28 o 30.473  6.6164  548.084    212.118  1403.79    457.793  314.147    239.363  47.906  9.1567  23.610  7.9290  24.29590       12.11261  
1 1 1 -8  43  29 o 43.594  1.5853  1033.41    74.851   293.619    474.065  1052.33    75.802   26.003  10.623  43.991  1.5909  -17.98760      10.74192  
1 1 1 -8  43  30 o 53.625  6.3357  1718.95    360.877  1236.03    532.891  2128.03    490.459  40.929  11.529  58.213  7.9895  -17.28403      14.02671  
1 1 1 -8  43  31 o 46.592  10.024  1520.03    490.828  0.0000     0.0000   1520.03    490.828  ?       ?       46.592  10.024  0.000000       10.02365  
1 1 1 -8  43  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  43  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  44  1  o 573.154 9.7574  178673.80  6057.23  177025.00  8566.57  180322.41  8565.87  569.242 13.894  574.566 13.765  -5.323669      19.55802  
1 1 1 -8  44  2  o 440.197 7.5810  105214.50  3614.44  106233.40  5111.97  104195.90  5111.21  441.751 10.684  437.473 10.787  4.278839       15.18261  
1 1 1 -8  44  3  o 108.788 2.7273  6411.36    321.359  6855.48    460.921  5991.26    448.284  112.475 3.7836  105.144 3.9364  7.331009       5.459920  
1 1 1 -8  44  4  o 338.916 6.2432  62320.21   2291.77  63750.00   3012.91  60357.13   3530.37  342.562 8.1204  333.086 9.7858  9.476227       12.71620  
1 1 1 -8  44  5  o 276.712 4.7611  41512.80   1426.93  42486.94   2017.49  40537.73   2018.47  279.791 6.6574  273.283 6.8193  6.508118       9.530186  
1 1 1 -8  44  6  o 319.459 5.4984  55353.15   1902.49  53221.16   2689.48  57488.49   2691.58  312.984 7.9337  325.328 7.6386  -12.34402      11.01329  
1 1 1 -8  44  7  o 325.549 6.0865  57510.94   2146.14  57195.02   2822.63  57943.83   3304.12  324.411 8.0332  326.325 9.3483  -1.914032      12.32572  
1 1 1 -8  44  8  o 242.865 4.5407  31980.76   1194.42  32567.97   1689.04  31393.37   1689.29  244.944 6.3665  240.476 6.4858  4.468262       9.088335  
1 1 1 -8  44  9  o 217.244 4.7520  25593.68   1118.14  25220.38   1932.87  25781.44   1370.79  215.352 8.2868  217.965 5.8065  -2.613708      10.11858  
1 1 1 -8  44  10 o 343.875 6.4192  64208.83   2390.83  64729.73   3141.04  63491.37   3686.34  344.939 8.4074  341.308 9.9719  3.630951       13.04314  
1 1 1 -8  44  11 o 390.260 6.6041  82726.31   2791.52  82758.78   3947.32  82693.83   3948.28  389.755 9.3506  389.600 9.3566  0.1544189      13.22802  
1 1 1 -8  44  12 o 221.503 4.1675  26604.28   999.835  25996.30   1412.48  27214.85   1415.49  218.813 5.9599  223.895 5.8370  -5.081406      8.342136  
1 1 1 -8  44  13 o 110.725 2.9911  6644.12    358.715  6285.64    504.757  7009.92    509.881  107.655 4.3289  113.696 4.1405  -6.040497      5.990253  
1 1 1 -8  44  14 f 336.014 5.8476  61326.39   2128.16  62106.00   3010.90  60548.06   3008.46  337.651 8.2330  333.365 8.3321  4.285614       11.71350  
1 1 1 -8  44  15 o 119.081 3.0979  7686.56    399.554  7566.85    573.112  7799.76    557.327  118.090 4.4808  119.904 4.2915  -1.813301      6.204388  
1 1 1 -8  44  16 o 136.490 3.2033  10100.57   473.553  10492.35   672.433  9715.08    667.009  139.037 4.4653  133.779 4.6034  5.258362       6.413243  
1 1 1 -8  44  17 o 249.742 6.5011  33968.78   1758.53  34257.29   2494.44  33683.73   2479.49  250.091 9.2089  247.982 9.2315  2.109314       13.03931  
1 1 1 -8  44  18 o 120.027 4.4182  7827.47    574.378  7229.76    834.734  8364.97    791.570  114.912 6.7362  123.921 5.8976  -9.009315      8.953097  
1 1 1 -8  44  19 o 119.382 4.4887  7752.38    580.404  7548.08    869.503  7916.56    779.487  117.256 6.8765  120.435 5.9757  -3.178726      9.110155  
1 1 1 -8  44  20 o 74.322  4.0647  3014.37    325.960  0.0000     0.0000   3014.37    325.960  ?       ?       74.322  4.0647  0.000000       4.064661  
1 1 1 -8  44  21 o 118.265 4.2599  7624.70    545.667  0.0000     0.0000   7624.70    545.667  ?       ?       118.265 4.2599  0.000000       4.259901  
1 1 1 -8  44  22 o 25.894  6.1927  383.781    171.342  488.138    353.284  351.684    195.928  29.731  9.6180  24.867  6.9858  4.863440       11.88725  
1 1 1 -8  44  23 o 114.560 3.1570  7144.55    391.720  8130.63    806.721  6840.32    448.091  121.175 6.1670  111.986 3.6943  9.189323       7.188886  
1 1 1 -8  44  24 o 39.537  5.3240  876.175    222.191  1510.38    463.599  687.057    253.161  50.996  8.7059  34.509  7.0124  16.48721       11.17881  
1 1 1 -8  44  25 o 45.269  2.3651  1117.46    115.558  1060.94    130.435  1323.73    249.164  44.052  2.7474  48.802  4.7751  -4.749519      5.509067  
1 1 1 -8  44  26 o 54.612  2.6887  1625.80    159.037  2429.46    501.726  1536.03    167.684  65.098  7.2384  52.970  2.9342  12.12803       7.810496  
1 1 1 -8  44  27 o 13.921  6.2130  -63.8762   190.659  -493.6775  416.811  49.850     214.405  16.882  8.0723  16.879  7.0435  0.2408981E-02  10.71319  
1 1 1 -8  44  28 o 96.635  3.2814  5127.04    343.447  4827.75    704.213  5220.44    393.406  91.219  7.1859  97.317  3.7323  -6.098106      8.097342  
1 1 1 -8  44  29 o 27.555  9.0161  471.038    310.034  332.036    468.414  579.408    413.594  26.315  10.630  30.135  10.416  -3.820045      14.88297  
1 1 1 -8  44  30 o 19.925  1.6641  217.893    35.585   218.606    35.715   120.631    417.182  19.957  1.6675  21.892  9.4975  -1.935400      9.642808  
1 1 1 -8  44  31 o 24.560  8.3924  389.225    268.200  0.0000     0.0000   389.225    268.200  ?       ?       24.560  8.3924  0.000000       8.392366  
1 1 1 -8  44  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  44  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  45  1  o 170.001 3.5367  15660.31   651.200  16212.05   881.521  14997.55   966.159  172.930 4.7064  166.301 5.3639  6.629547       7.135990  
1 1 1 -8  45  2  o 335.355 5.7248  60999.79   2079.40  59239.73   2940.55  62760.24   2940.88  330.208 8.2219  339.909 7.9881  -9.700836      11.46338  
1 1 1 -8  45  3  o 363.995 6.2324  71886.69   2457.10  71646.48   3475.01  72126.84   3474.72  363.042 8.8375  364.262 8.8071  -1.219727      12.47666  
1 1 1 -8  45  4  o 481.396 8.8138  125983.30  4595.52  124154.50  6013.88  128550.00  7124.45  477.210 11.635  485.005 13.562  -7.795044      17.86941  
1 1 1 -8  45  5  o 471.361 7.8899  120706.70  4028.07  118509.80  5695.91  122904.60  5697.21  466.279 11.278  474.901 11.076  -8.621674      15.80770  
1 1 1 -8  45  6  o 134.467 3.0783  9797.02    448.334  9538.91    632.413  10057.82   635.680  132.648 4.4018  136.212 4.3088  -3.563171      6.159640  
1 1 1 -8  45  7  o 111.934 2.8669  6788.44    347.578  6885.16    491.015  6691.29    492.084  112.703 4.0224  111.104 4.0892  1.599701       5.735987  
1 1 1 -8  45  8  o 426.257 7.8154  98754.09   3608.23  100243.60  4727.24  96675.04   5584.96  428.921 10.176  420.638 12.259  8.283173       15.93161  
1 1 1 -8  45  9  o 419.827 11.586  96257.15   5268.25  100356.90  6310.72  86830.62   9569.24  427.993 13.614  393.597 22.541  34.39618       26.33265  
1 1 1 -8  45  10 o 420.320 7.1551  96000.02   3257.34  98840.94   4605.68  93156.89   4607.48  425.813 9.9863  413.303 10.293  12.50937       14.34098  
1 1 1 -8  45  11 o 272.079 4.9023  40157.03   1444.65  41239.72   2041.88  39071.85   2044.22  275.502 6.8428  268.138 7.0388  7.364502       9.816761  
1 1 1 -8  45  12 o 128.887 3.1030  9002.68    433.180  8825.28    610.361  9182.71    614.882  127.564 4.4176  130.124 4.3628  -2.559921      6.208801  
1 1 1 -8  45  13 o 272.652 4.8968  40336.66   1446.08  38558.99   2043.58  42119.50   2046.55  266.293 7.0854  278.363 6.7880  -12.06967      9.812175  
1 1 1 -8  45  14 o 177.928 3.7138  17166.06   715.694  17249.31   964.305  17063.97   1067.89  178.269 4.9942  177.260 5.5622  1.008438       7.475313  
1 1 1 -8  45  15 o 197.400 3.8819  21134.42   829.958  20938.13   1174.80  21330.00   1172.68  196.330 5.5247  198.165 5.4637  -1.835327      7.770048  
1 1 1 -8  45  16 o 102.231 3.0803  5666.24    341.069  5624.05    493.254  5704.90    472.130  101.787 4.4741  102.527 4.2516  -0.7408142     6.172022  
1 1 1 -8  45  17 o 107.458 3.0374  6261.63    353.517  6426.02    504.745  6103.35    495.288  108.788 4.2837  106.020 4.3132  2.768394       6.078974  
1 1 1 -8  45  18 o 179.627 4.2770  17531.54   832.115  17180.00   1466.12  17698.59   1010.67  177.176 7.6400  180.342 5.1742  -3.166367      9.227259  
1 1 1 -8  45  19 o 81.466  4.4067  3620.88    387.382  3541.07    569.122  3689.78    528.782  80.190  6.6116  81.985  5.9964  -1.795670      8.925823  
1 1 1 -8  45  20 o 106.711 5.8448  6248.76    672.970  0.0000     0.0000   6248.76    672.970  ?       ?       106.711 5.8448  0.000000       5.844836  
1 1 1 -8  45  21 o 86.282  4.0319  4056.57    376.784  0.0000     0.0000   4056.57    376.784  ?       ?       86.282  4.0319  0.000000       4.031853  
1 1 1 -8  45  22 o 91.191  4.2119  4539.68    416.008  0.0000     0.0000   4539.68    416.008  ?       ?       91.191  4.2119  0.000000       4.211909  
1 1 1 -8  45  23 o 86.412  4.4874  4099.08    418.543  0.0000     0.0000   4099.08    418.543  ?       ?       86.412  4.4874  0.000000       4.487392  
1 1 1 -8  45  24 o 20.527  7.3237  206.118    205.581  357.881    440.901  163.956    232.389  28.005  10.598  20.093  7.6725  7.911524       13.08367  
1 1 1 -8  45  25 o 73.658  3.5246  2966.67    281.189  2708.11    578.993  3046.47    321.670  68.665  7.9311  74.435  4.0046  -5.770561      8.884791  
1 1 1 -8  45  26 o 61.153  3.9189  2062.35    258.203  1851.67    545.264  2123.24    293.154  55.649  9.3801  61.909  4.4005  -6.260834      10.36104  
1 1 1 -8  45  27 o 26.745  7.2582  423.779    215.624  584.814    478.226  382.688    241.573  31.624  11.182  25.592  7.9122  6.031488       13.69824  
1 1 1 -8  45  28 o 28.262  7.3358  480.419    226.516  129.481    459.880  592.833    260.279  23.943  10.171  31.279  7.7278  -7.336184      12.77390  
1 1 1 -8  45  29 o 30.619  8.9737  601.565    316.814  92.565     474.507  1010.98    425.565  23.126  10.080  39.031  10.017  -15.90558      14.21055  
1 1 1 -8  45  30 o 47.006  2.4018  1216.39    121.875  1221.96    126.233  1139.90    467.862  47.087  2.4839  39.942  10.628  7.145275       10.91468  
1 1 1 -8  45  31 o 22.507  8.2467  306.991    262.846  0.0000     0.0000   306.991    262.846  ?       ?       22.507  8.2467  0.000000       8.246686  
1 1 1 -8  45  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  45  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  46  1  o 240.865 4.4669  31449.46   1165.32  30933.54   1648.49  31964.79   1647.53  238.759 6.3746  242.714 6.2671  -3.955322      8.939394  
1 1 1 -8  46  2  f 137.378 3.1051  10225.43   462.015  10037.80   652.914  10413.61   653.864  136.078 4.4299  138.604 4.3555  -2.526184      6.212484  
1 1 1 -8  46  3  o 496.749 8.3478  134102.00  4491.37  133840.91  6351.72  134363.09  6351.81  495.391 11.838  496.363 11.815  -0.9721680     16.72499  
1 1 1 -8  46  4  o 507.604 9.1275  140140.20  5018.21  140960.59  6564.78  138987.00  7783.50  508.316 11.924  503.953 14.260  4.363434       18.58820  
1 1 1 -8  46  5  o 214.500 4.0965  24939.55   951.730  24253.89   1345.16  25626.84   1346.74  211.430 5.8740  217.342 5.7210  -5.912262      8.199615  
1 1 1 -8  46  6  o 182.216 3.8204  17995.71   753.989  17427.04   1130.49  18451.36   1011.93  179.217 5.8240  184.451 5.0652  -5.234497      7.718513  
1 1 1 -8  46  7  f 188.077 3.7445  19172.07   762.786  19562.24   1079.31  18782.72   1078.18  189.907 5.2473  186.079 5.3496  3.828049       7.493493  
1 1 1 -8  46  8  f 160.118 3.4051  13894.06   590.523  14109.89   834.861  13677.96   835.389  161.301 4.7787  158.809 4.8567  2.491730       6.813484  
1 1 1 -8  46  9  o 283.770 7.1502  43752.33   2197.63  41795.62   3106.49  45712.64   3109.34  276.853 10.360  289.620 9.9122  -12.76666      14.33795  
1 1 1 -8  46  10 o 227.463 4.2599  28053.98   1049.48  28369.47   1481.97  27736.59   1486.42  228.602 5.9854  226.029 6.0717  2.572235       8.525838  
1 1 1 -8  46  11 o 172.554 3.5526  16139.27   663.963  16641.99   936.873  15631.99   941.113  175.147 4.9386  169.738 5.1191  5.409027       7.113034  
1 1 1 -8  46  12 o 151.642 3.4427  12464.49   565.445  12774.97   770.458  12102.03   832.454  153.463 4.6353  149.337 5.1466  4.125198       6.926292  
1 1 1 -8  46  13 o 129.540 3.1697  9095.31    444.729  9138.98    618.347  9048.51    640.100  129.800 4.3983  129.147 4.5761  0.6527557      6.347096  
1 1 1 -8  46  14 o 127.621 3.1422  8828.54    434.336  9850.23    613.466  7801.66    615.024  134.755 4.2032  119.899 4.7359  14.85520       6.332116  
1 1 1 -8  46  15 o 139.564 3.3000  10560.46   498.833  10384.87   725.950  10717.52   686.605  138.307 4.8461  140.528 4.5110  -2.220825      6.620732  
1 1 1 -8  46  16 o 173.653 3.6028  16357.00   677.625  16258.45   960.021  16454.86   956.602  172.986 5.1239  174.033 5.0749  -1.047104      7.211724  
1 1 1 -8  46  17 o 241.755 4.5105  31749.78   1181.05  31522.84   1673.74  31974.84   1666.79  240.505 6.4253  242.241 6.3528  -1.735229      9.035618  
1 1 1 -8  46  18 o 166.823 3.7465  15112.83   676.943  14417.14   920.915  15930.63   998.465  162.727 5.2250  171.026 5.3901  -8.299042      7.506974  
1 1 1 -8  46  19 o 97.115  3.0314  5119.35    318.859  4841.69    458.920  5378.49    443.354  94.315  4.4925  99.446  4.1161  -5.131180      6.093027  
1 1 1 -8  46  20 o 167.297 7.0313  15399.68   1274.07  0.0000     0.0000   15399.68   1274.07  ?       ?       167.297 7.0313  0.000000       7.031301  
1 1 1 -8  46  21 o 132.988 4.4583  9653.67    642.173  0.0000     0.0000   9653.67    642.173  ?       ?       132.988 4.4583  0.000000       4.458313  
1 1 1 -8  46  22 o 23.023  7.5886  283.413    219.488  0.0000     0.0000   283.413    219.488  ?       ?       23.023  7.5886  0.000000       7.588641  
1 1 1 -8  46  23 o 70.324  5.0122  2729.89    379.274  0.0000     0.0000   2729.89    379.274  ?       ?       70.324  5.0122  0.000000       5.012190  
1 1 1 -8  46  24 o 41.880  6.6854  1000.09    293.054  0.0000     0.0000   1000.09    293.054  ?       ?       41.880  6.6854  0.000000       6.685419  
1 1 1 -8  46  25 o 34.016  7.8601  681.776    283.773  0.0000     0.0000   681.776    283.773  ?       ?       34.016  7.8601  0.000000       7.860051  
1 1 1 -8  46  26 o 21.484  7.4853  241.910    213.780  22.986     469.498  299.172    240.116  23.287  10.089  23.412  7.9411  -0.1254234     12.83931  
1 1 1 -8  46  27 o 71.629  3.7908  2830.93    293.046  3317.29    600.358  2678.80    335.762  75.662  7.4214  69.414  4.4900  6.248566       8.673988  
1 1 1 -8  46  28 o 23.637  9.4199  233.732    362.573  -72.8914   489.662  605.894    539.460  22.141  9.9137  31.788  11.785  -9.647100      15.40045  
1 1 1 -8  46  29 o 16.950  2.1030  159.275    37.779   159.073    37.887   194.795    502.067  16.937  2.1111  24.628  10.549  -7.691074      10.75795  
1 1 1 -8  46  30 o 41.776  5.7494  1035.39    253.254  943.743    559.639  1058.99    283.996  34.926  12.114  41.783  6.4856  -6.856987      13.74114  
1 1 1 -8  46  31 o 30.043  9.4837  636.594    345.102  0.0000     0.0000   636.594    345.102  ?       ?       30.043  9.4837  0.000000       9.483731  
1 1 1 -8  46  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  46  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  47  1  o 194.124 3.5309  20421.15   742.391  21419.05   1050.81  19426.71   1048.99  198.753 4.8814  189.272 5.1170  9.480789       7.071876  
1 1 1 -8  47  2  o 86.589  2.6717  4061.93    250.565  4149.41    353.895  3973.98    354.812  87.502  3.7341  85.630  3.8256  1.871201       5.345931  
1 1 1 -8  47  3  o 577.695 10.308  181751.41  6449.70  176102.09  10015.95 185753.50  8430.18  566.256 16.331  582.915 13.352  -16.65881      21.09468  
1 1 1 -8  47  4  o 144.438 3.1580  11304.15   494.037  11186.39   699.497  11421.35   697.853  143.643 4.4960  145.146 4.4390  -1.502731      6.318175  
1 1 1 -8  47  5  o 114.917 2.9450  7155.20    366.559  6983.76    518.600  7326.37    518.185  113.503 4.2185  116.257 4.1153  -2.753639      5.893280  
1 1 1 -8  47  6  o 279.913 5.0373  42493.63   1527.20  42485.62   2159.59  42501.64   2159.98  279.681 7.1291  279.734 7.1291  -0.5273438E-01 10.08208  
1 1 1 -8  47  7  o 118.428 2.9414  7599.37    377.297  7556.12    532.881  7642.85    534.279  118.060 4.1673  118.736 4.1545  -0.6759644     5.884424  
1 1 1 -8  47  8  o 323.774 6.4904  56921.11   2276.07  54350.14   3941.07  58207.77   2788.03  315.479 11.534  327.210 7.8668  -11.73108      13.96125  
1 1 1 -8  47  9  o 535.775 10.244  156529.70  5944.63  152016.00  7279.24  165567.70  10300.38 527.000 12.753  547.513 17.370  -20.51337      21.54842  
1 1 1 -8  47  10 o 367.507 6.2573  73341.92   2490.70  73898.20   3521.47  72785.06   3523.30  368.404 8.8253  365.603 8.8975  2.801392       12.53204  
1 1 1 -8  47  11 o 78.088  2.9420  3304.32    248.825  3436.31    347.316  3165.13    356.654  79.507  4.0466  76.274  4.3351  3.232582       5.930213  
1 1 1 -8  47  12 f 244.892 4.5114  32530.32   1196.63  33389.76   1691.06  31668.38   1693.51  247.916 6.2977  241.419 6.4766  6.496902       9.033700  
1 1 1 -8  47  13 o 165.699 3.5081  14885.03   629.591  15381.57   892.402  14392.97   888.363  168.354 4.8940  162.844 5.0367  5.510162       7.022822  
1 1 1 -8  47  14 o 246.971 4.5660  33098.21   1221.40  33221.64   1728.71  32975.19   1725.92  247.184 6.4570  246.263 6.4707  0.9206543      9.141282  
1 1 1 -8  47  15 o 98.974  3.0659  5310.54    328.667  5280.47    472.714  5338.67    457.279  98.637  4.4247  99.187  4.2565  -0.5501709     6.139736  
1 1 1 -8  47  16 o 277.761 4.9682  41918.05   1494.65  42264.55   2114.66  41572.15   2112.85  278.458 7.0115  276.154 7.0640  2.303772       9.952929  
1 1 1 -8  47  17 f 96.799  3.0160  5081.90    316.211  5398.25    452.760  4780.65    441.821  99.697  4.1929  93.811  4.3483  5.886368       6.040587  
1 1 1 -8  47  18 o 188.387 3.7623  19276.95   767.663  19519.29   1088.41  19037.05   1082.89  189.289 5.3088  186.928 5.3486  2.361221       7.535983  
1 1 1 -8  47  19 o 73.824  3.1549  2959.42    252.265  3113.24    378.295  2836.24    338.523  75.459  4.6513  72.054  4.3582  3.404999       6.374012  
1 1 1 -8  47  20 o 49.600  2.1519  1334.45    115.607  1389.14    129.305  1116.54    258.090  50.599  2.3594  44.864  5.4212  5.734257       5.912410  
1 1 1 -8  47  21 o 91.762  2.9526  4576.51    293.448  4740.20    603.690  4525.86    335.789  92.666  6.0480  91.199  3.3994  1.467628       6.937879  
1 1 1 -8  47  22 o 134.673 4.6141  9924.59    673.033  0.0000     0.0000   9924.59    673.033  ?       ?       134.673 4.6141  0.000000       4.614070  
1 1 1 -8  47  23 o 74.247  4.6639  3035.08    373.156  0.0000     0.0000   3035.08    373.156  ?       ?       74.247  4.6639  0.000000       4.663920  
1 1 1 -8  47  24 o 95.856  4.4427  5043.67    461.249  0.0000     0.0000   5043.67    461.249  ?       ?       95.856  4.4427  0.000000       4.442713  
1 1 1 -8  47  25 o 113.732 4.5098  7124.25    555.533  0.0000     0.0000   7124.25    555.533  ?       ?       113.732 4.5098  0.000000       4.509803  
1 1 1 -8  47  26 o 76.145  4.9843  3230.28    408.803  0.0000     0.0000   3230.28    408.803  ?       ?       76.145  4.9843  0.000000       4.984294  
1 1 1 -8  47  27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  47  28 o 19.441  9.2170  -458.3560  520.441  0.0000     0.0000   -458.3560  520.441  ?       ?       19.441  9.2170  0.000000       9.217018  
1 1 1 -8  47  29 f 29.257  7.7645  540.064    250.129  750.365    530.269  479.881    283.671  32.646  11.750  27.429  8.5894  5.216516       14.55475  
1 1 1 -8  47  30 o 24.984  8.2142  398.115    257.223  691.719    543.778  313.482    291.952  30.838  11.746  23.154  8.6529  7.683363       14.58885  
1 1 1 -8  47  31 o 30.487  9.5662  662.187    351.658  0.0000     0.0000   662.187    351.658  ?       ?       30.487  9.5662  0.000000       9.566207  
1 1 1 -8  47  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  47  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  48  1  o 289.113 5.0695  45329.55   1587.46  46283.40   2245.63  44376.73   2244.40  291.943 7.1018  285.850 7.2492  6.092987       10.14827  
1 1 1 -8  48  2  o 298.159 5.2985  48217.29   1711.07  46682.29   2419.91  49752.05   2419.73  293.135 7.6219  302.649 7.3817  -9.514343      10.61049  
1 1 1 -8  48  3  o 77.606  2.4866  3262.76    209.017  3281.08    273.695  3237.11    323.761  77.815  3.2474  77.184  3.8852  0.6303482      5.063653  
1 1 1 -8  48  4  o 224.557 4.0817  27333.79   992.752  26112.71   1403.43  28556.75   1404.50  219.371 5.9066  229.427 5.6521  -10.05547      8.175222  
1 1 1 -8  48  5  o 183.434 3.6443  18236.03   724.048  19066.19   1023.67  17404.94   1024.24  187.497 5.0408  179.130 5.2792  8.367188       7.299251  
1 1 1 -8  48  6  o 88.856  2.7532  4277.74    264.969  4099.22    373.268  4459.07    376.196  86.961  3.9630  90.701  3.8294  -3.739502      5.510884  
1 1 1 -8  48  7  o 240.933 4.3537  31473.21   1136.12  31528.12   1606.91  31418.33   1606.54  241.001 6.1560  240.581 6.1654  0.4208221      8.712553  
1 1 1 -8  48  8  o 145.841 3.7249  11528.96   588.393  11803.63   1016.54  11390.57   721.553  147.442 6.3655  144.929 4.5967  2.512283       7.851676  
1 1 1 -8  48  9  o 342.334 6.8137  63665.37   2526.43  63052.40   3092.77  64894.79   4380.03  340.407 8.3884  344.564 11.736  -4.156372      14.42600  
1 1 1 -8  48  10 o 255.682 4.6623  35457.60   1291.13  37181.96   1825.07  33729.97   1826.80  261.642 6.4403  249.162 6.7692  12.47963       9.343410  
1 1 1 -8  48  11 o 150.809 3.3327  12327.04   544.363  12960.50   765.901  11680.35   773.852  154.578 4.5746  146.730 4.8693  7.847916       6.681138  
1 1 1 -8  48  12 o 98.267  2.9950  5233.37    318.773  5353.18    452.688  5115.52    448.962  99.350  4.2069  97.118  4.2682  2.232506       5.992917  
1 1 1 -8  48  13 o 37.513  4.4526  774.165    177.378  724.628    246.954  826.956    254.937  35.950  6.5849  38.507  6.3328  -2.556564      9.135942  
1 1 1 -8  48  14 o 208.940 4.0283  23680.57   911.621  24424.90   1288.94  22935.57   1289.52  212.036 5.6125  205.448 5.7950  6.587646       8.067327  
1 1 1 -8  48  15 f 283.742 5.0827  43732.51   1562.01  43143.89   2208.77  44321.40   2209.27  281.385 7.2473  285.223 7.1515  -3.837036      10.18172  
1 1 1 -8  48  16 o 54.703  2.3056  1621.77    136.606  1672.95    155.739  1451.02    284.466  55.554  2.5883  51.408  5.1795  4.146496       5.790218  
1 1 1 -8  48  17 o 121.338 3.0998  7986.82    407.385  7944.97    579.898  8027.60    572.433  120.912 4.4280  121.547 4.3482  -0.6347122     6.205993  
1 1 1 -8  48  18 o 179.623 3.6952  17526.66   718.898  17512.07   1022.89  17540.90   1010.57  179.264 5.2682  179.426 5.2001  -0.1618195     7.402389  
1 1 1 -8  48  19 o 169.515 3.5389  15618.12   649.750  15439.76   922.393  15793.79   915.417  168.226 5.0624  170.167 4.9668  -1.941269      7.091980  
1 1 1 -8  48  20 o 147.806 3.3420  11878.82   535.019  11461.97   761.535  12285.10   751.822  144.867 4.8535  150.036 4.6265  -5.169434      6.705239  
1 1 1 -8  48  21 o 108.454 3.0374  6395.19    356.790  6223.49    717.497  6451.59    411.240  106.131 6.2696  108.863 3.4877  -2.732094      7.174423  
1 1 1 -8  48  22 o 41.726  4.4707  963.034    198.900  992.938    382.444  951.946    232.872  41.283  8.8209  41.301  5.3302  -0.1845932E-01 10.30627  
1 1 1 -8  48  23 o 69.883  3.5847  2672.07    270.412  2127.16    558.027  2839.29    309.133  60.761  8.7301  71.957  3.9819  -11.19662      9.595322  
1 1 1 -8  48  24 o 85.478  4.5410  4026.25    418.907  0.0000     0.0000   4026.25    418.907  ?       ?       85.478  4.5410  0.000000       4.541046  
1 1 1 -8  48  25 o 57.628  5.4145  1859.01    333.995  0.0000     0.0000   1859.01    333.995  ?       ?       57.628  5.4145  0.000000       5.414483  
1 1 1 -8  48  26 o 91.968  4.7553  4698.49    472.056  0.0000     0.0000   4698.49    472.056  ?       ?       91.968  4.7553  0.000000       4.755287  
1 1 1 -8  48  27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  48  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  48  29 o 35.136  8.9363  812.537    340.868  0.0000     0.0000   812.537    340.868  ?       ?       35.136  8.9363  0.000000       8.936271  
1 1 1 -8  48  30 o 24.763  9.4172  371.664    349.208  0.0000     0.0000   371.664    349.208  ?       ?       24.763  9.4172  0.000000       9.417239  
1 1 1 -8  48  31 o 23.505  10.332  211.320    507.933  0.0000     0.0000   211.320    507.933  ?       ?       23.505  10.332  0.000000       10.33210  
1 1 1 -8  48  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  49  1  o 56.649  1.9124  1738.25    117.336  1789.26    138.057  1605.53    222.674  57.472  2.2179  54.294  3.8108  3.178513       4.409168  
1 1 1 -8  49  2  o 280.576 5.7861  42713.05   1758.37  42005.06   2487.36  43420.31   2486.06  277.969 8.2617  282.631 8.1212  -4.662201      11.58494  
1 1 1 -8  49  3  o 164.710 3.5748  14702.75   637.739  14797.90   946.455  14623.63   863.097  165.171 5.2905  164.216 4.8526  0.9547729      7.178915  
1 1 1 -8  49  4  o 97.905  2.8433  5193.39    301.507  5273.10    428.548  5115.26    424.273  98.630  4.0116  97.142  4.0324  1.487900       5.688024  
1 1 1 -8  49  5  o 139.530 3.1297  10549.42   472.979  10527.28   668.208  10571.64   669.580  139.342 4.4275  139.636 4.4273  -0.2933044     6.261270  
1 1 1 -8  49  6  o 411.758 7.4692  92131.81   3331.11  94407.11   4366.81  88965.13   5151.67  416.327 9.6841  403.594 11.785  12.73315       15.25355  
1 1 1 -8  49  7  o 85.493  2.7433  3960.11    254.021  4225.70    356.631  3686.60    361.907  88.295  3.7292  82.464  4.0519  5.830879       5.506785  
1 1 1 -8  49  8  o 117.438 3.4039  7474.64    432.967  6977.53    745.711  7727.44    531.781  113.206 6.1044  119.386 4.1125  -6.180527      7.360432  
1 1 1 -8  49  9  o 413.022 9.0221  92902.55   4036.00  91901.08   4452.88  97512.29   9553.43  410.523 10.015  417.400 21.201  -6.877319      23.44768  
1 1 1 -8  49  10 o 226.269 4.2408  27762.32   1039.31  28215.41   1468.57  27307.72   1471.03  227.964 5.9478  224.256 6.0563  3.707291       8.488545  
1 1 1 -8  49  11 o 268.673 4.8041  39162.66   1398.00  39033.79   1974.89  39292.11   1979.27  267.987 6.8039  268.873 6.7965  -0.8863220     9.616970  
1 1 1 -8  49  12 o 56.954  2.4716  1757.56    152.467  2124.53    287.648  1614.18    179.803  62.439  4.2792  54.488  3.0591  7.951313       5.260193  
1 1 1 -8  49  13 o 93.407  2.9781  4728.87    301.289  4946.03    423.489  4506.29    428.734  95.492  4.0945  91.139  4.3432  4.352745       5.968987  
1 1 1 -8  49  14 o 120.106 3.1253  7820.32    406.567  8110.08    579.609  7539.66    570.445  122.249 4.3774  117.867 4.4684  4.382698       6.255281  
1 1 1 -8  49  15 o 126.286 3.1968  8647.82    437.260  8285.91    612.176  9024.78    624.776  123.533 4.5753  128.930 4.4740  -5.397598      6.399275  
1 1 1 -8  49  16 o 183.544 3.7033  18282.15   736.199  19002.22   1043.69  17569.08   1038.61  186.941 5.1546  179.727 5.3354  7.213547       7.418684  
1 1 1 -8  49  17 o 262.397 4.7875  37452.04   1360.62  36422.43   1927.44  38474.79   1921.01  258.156 6.8933  265.402 6.6827  -7.246277      9.600865  
1 1 1 -8  49  18 o 71.714  2.2786  2788.67    176.984  2729.16    250.471  2848.00    250.116  70.898  3.2618  72.429  3.1883  -1.531326      4.561178  
1 1 1 -8  49  19 o 83.869  3.0273  3820.09    274.998  3410.34    396.555  4199.68    381.683  78.956  4.6577  87.844  4.0116  -8.887123      6.147165  
1 1 1 -8  49  20 o 76.235  2.5772  3155.31    212.804  3395.53    271.160  2770.12    343.366  79.033  3.1677  71.113  4.4809  7.920685       5.487535  
1 1 1 -8  49  21 o 98.387  2.9870  5263.03    318.303  5011.86    640.616  5345.36    366.783  95.186  6.2485  99.094  3.4174  -3.908058      7.121933  
1 1 1 -8  49  22 f 17.598  6.6759  124.629    175.226  134.248    333.511  120.961    205.940  22.137  8.9601  18.417  7.1719  3.719650       11.47692  
1 1 1 -8  49  23 o 20.928  7.3203  221.024    204.556  461.893    439.012  154.228    231.185  29.870  10.698  19.849  7.6351  10.02140       13.14274  
1 1 1 -8  49  24 o 45.140  4.8289  1134.71    232.432  624.775    493.063  1280.41    263.553  33.166  11.378  47.890  5.1626  -14.72428      12.49486  
1 1 1 -8  49  25 o 82.817  3.5211  3755.22    315.841  4121.17    634.864  3634.86    364.096  85.184  6.9414  81.205  4.1536  3.979103       8.089183  
1 1 1 -8  49  26 o 86.732  5.1969  4202.98    485.943  3757.95    670.263  4696.09    705.548  80.474  7.7872  90.403  7.2670  -9.929161      10.65135  
1 1 1 -8  49  27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  49  28 o 42.129  7.5135  1074.95    330.264  0.0000     0.0000   1074.95    330.264  ?       ?       42.129  7.5135  0.000000       7.513476  
1 1 1 -8  49  29 o 20.460  8.4392  157.254    302.757  0.0000     0.0000   157.254    302.757  ?       ?       20.460  8.4392  0.000000       8.439201  
1 1 1 -8  49  30 o 21.947  8.9919  221.973    340.856  0.0000     0.0000   221.973    340.856  ?       ?       21.947  8.9919  0.000000       8.991944  
1 1 1 -8  49  31 o 24.236  10.501  280.475    508.645  0.0000     0.0000   280.475    508.645  ?       ?       24.236  10.501  0.000000       10.50054  
1 1 1 -8  49  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  50  1  o 288.594 5.1053  45172.08   1595.80  46919.00   2257.74  43428.07   2255.86  293.914 7.0922  282.737 7.3665  11.17792       10.22571  
1 1 1 -8  50  2  o 334.235 6.1811  60633.44   2237.61  58871.39   3446.02  61917.98   2942.27  328.812 9.6761  337.495 8.0491  -8.683624      12.58626  
1 1 1 -8  50  3  o 344.562 6.4870  64455.25   2420.94  67842.72   3732.88  61996.09   3180.53  352.945 9.7649  337.590 8.6984  15.35486       13.07726  
1 1 1 -8  50  4  o 135.421 3.1518  9937.36    462.295  9905.69    673.757  9965.53    635.488  135.159 4.6024  135.577 4.3276  -0.4176331     6.317501  
1 1 1 -8  50  5  o 230.359 4.4282  28772.11   1104.85  27396.50   1678.77  29823.20   1467.46  224.592 6.9012  234.430 5.7794  -9.837860      9.001575  
1 1 1 -8  50  6  o 194.818 4.1685  20576.70   879.588  19473.04   1245.58  21674.51   1242.27  189.405 6.0717  199.850 5.7391  -10.44444      8.354814  
1 1 1 -8  50  7  o 55.593  1.9946  1674.14    120.102  1443.39    244.742  1747.33    137.841  51.403  4.4395  56.793  2.2408  -5.390614      4.973014  
1 1 1 -8  50  8  o 104.614 3.9252  5932.97    444.749  5842.71    648.221  6013.24    611.339  103.590 5.8008  105.133 5.3868  -1.543831      7.916242  
1 1 1 -8  50  9  o 118.811 3.0140  7649.44    387.849  7583.08    544.133  7717.97    552.977  118.257 4.2482  119.303 4.2794  -1.046036      6.030027  
1 1 1 -8  50  10 o 255.700 4.6623  35466.02   1291.21  35408.11   1824.73  35524.09   1827.37  255.281 6.5995  255.699 6.5982  -0.4179230     9.332196  
1 1 1 -8  50  11 o 192.442 3.7695  20079.15   785.692  19430.44   1107.60  20736.22   1114.71  189.192 5.4052  195.458 5.2655  -6.265656      7.545941  
1 1 1 -8  50  12 o 107.642 3.0106  6279.91    350.992  6239.06    495.227  6321.14    497.535  107.247 4.2633  107.951 4.2553  -0.7034683     6.023570  
1 1 1 -8  50  13 o 66.893  3.1792  2425.68    230.339  2352.61    321.966  2502.29    329.666  65.687  4.5535  67.757  4.5180  -2.070145      6.414568  
1 1 1 -8  50  14 o 138.211 3.2306  10357.08   483.607  10745.91   683.046  9966.24    684.803  140.704 4.4820  135.491 4.6664  5.213455       6.470245  
1 1 1 -8  50  15 o 164.098 3.4887  14606.71   620.068  14582.87   876.810  14630.55   877.007  163.829 4.9413  164.098 4.9344  -0.2683868     6.983158  
1 1 1 -8  50  16 o 161.468 3.4964  14147.71   611.474  13708.76   869.224  14577.74   860.355  158.770 5.0547  163.752 4.8509  -4.981842      7.005779  
1 1 1 -8  50  17 o 204.309 4.1999  22688.67   929.399  22797.44   1244.78  22551.66   1397.10  204.503 5.6198  203.215 6.3475  1.288254       8.477809  
1 1 1 -8  50  18 o 51.226  3.7362  1433.80    205.865  822.947    312.039  1904.60    273.941  38.002  7.8412  59.004  4.3165  -21.00163      8.950819  
1 1 1 -8  50  19 o 49.741  3.6347  1352.85    194.466  1338.05    286.526  1365.49    264.792  49.169  5.4731  49.768  4.9791  -0.5987129     7.399055  
1 1 1 -8  50  20 o 106.293 3.0112  6140.61    346.665  6075.29    498.097  6201.98    482.780  105.519 4.3582  106.646 4.1796  -1.126625      6.038485  
1 1 1 -8  50  21 o 54.703  3.4512  1635.84    203.430  1704.13    416.120  1614.39    233.196  55.020  7.1518  54.254  3.9965  0.7659950      8.192722  
1 1 1 -8  50  22 o 67.268  3.4487  2473.10    250.420  3190.09    540.336  2276.98    282.602  75.546  6.6722  64.420  4.0712  11.12534       7.816227  
1 1 1 -8  50  23 o 61.682  3.9329  2089.13    261.383  2770.11    528.016  1868.09    300.828  70.087  7.0514  58.107  4.8235  11.97968       8.543294  
1 1 1 -8  50  24 o 34.419  6.2283  679.259    223.639  748.128    472.539  659.381    253.870  35.365  11.088  33.641  7.1857  1.723873       13.21278  
1 1 1 -8  50  25 o 19.715  2.1009  213.701    44.169   210.991    44.331   583.000    517.509  19.584  2.1239  32.275  11.609  -12.69058      11.80138  
1 1 1 -8  50  26 o 56.266  6.6621  1816.85    398.118  1636.79    543.742  2024.93    584.513  51.575  10.095  57.761  9.6861  -6.185482      13.99046  
1 1 1 -8  50  27 o 41.675  5.6126  994.366    246.903  391.515    521.297  1168.71    280.342  28.538  11.320  45.124  5.8754  -16.58576      12.75366  
1 1 1 -8  50  28 o 58.620  4.3504  1933.44    274.244  1981.23    576.716  1919.48    311.746  55.277  10.001  58.059  5.0064  -2.782619      11.18403  
1 1 1 -8  50  29 o 60.359  2.8858  2010.91    188.663  2387.58    590.713  1968.12    199.089  60.303  9.3466  59.554  3.0972  0.7489891      9.846437  
1 1 1 -8  50  30 o 25.409  8.7304  420.090    290.327  0.0000     0.0000   420.090    290.327  ?       ?       25.409  8.7304  0.000000       8.730399  
1 1 1 -8  50  31 o 30.129  12.272  744.073    630.271  0.0000     0.0000   744.073    630.271  ?       ?       30.129  12.272  0.000000       12.27233  
1 1 1 -8  50  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  51  1  f 195.181 3.6390  20647.05   769.295  21263.86   1088.92  20032.45   1086.97  198.000 5.0776  192.173 5.2222  5.827240       7.283818  
1 1 1 -8  51  2  o 235.590 4.3156  30091.24   1101.20  29438.56   1557.60  30743.47   1557.06  232.885 6.1751  238.002 6.0402  -5.117279      8.638058  
1 1 1 -8  51  3  o 247.525 5.2264  33235.19   1401.19  33540.02   1981.97  32930.61   1981.18  248.455 7.3651  246.180 7.4302  2.274719       10.46196  
1 1 1 -8  51  4  o 258.963 4.9262  36372.01   1381.72  36289.40   2111.47  36433.88   1827.30  258.409 7.5441  259.039 6.5129  -0.6293640     9.966500  
1 1 1 -8  51  5  o 116.496 2.8953  7353.50    365.322  7444.05    516.887  7263.11    516.399  117.181 4.0726  115.747 4.1191  1.434288       5.792498  
1 1 1 -8  51  6  o 48.315  1.9175  1264.48    100.342  1205.95    218.830  1280.06    112.912  46.960  4.3518  48.611  2.1446  -1.650429      4.851552  
1 1 1 -8  51  7  o 86.217  2.5510  4027.35    238.218  4188.06    366.817  3910.13    313.267  87.896  3.8531  84.939  3.4052  2.957336       5.142117  
1 1 1 -8  51  8  o 322.936 7.9391  56724.91   2776.90  52855.34   3924.42  60605.18   3929.84  310.944 11.653  333.158 10.891  -22.21371      15.94958  
1 1 1 -8  51  9  o 45.044  3.5830  1106.75    173.358  1182.39    244.833  1030.70    245.498  46.423  4.9454  43.253  5.3548  3.170368       7.289155  
1 1 1 -8  51  10 o 136.950 3.2170  10165.21   477.180  10101.90   656.116  10236.28   695.252  136.473 4.4388  137.366 4.6730  -0.8932037     6.445111  
1 1 1 -8  51  11 o 25.498  5.6949  367.019    153.304  481.099    206.510  226.971    228.811  29.172  6.6798  21.902  7.7358  7.269978       10.22067  
1 1 1 -8  51  12 o 168.326 3.5319  15361.76   643.925  15704.83   907.155  15013.35   914.180  170.103 4.9238  166.304 5.0753  3.798523       7.071206  
1 1 1 -8  51  13 f 196.707 3.8394  20986.95   817.991  19942.18   1150.83  22053.74   1162.89  191.588 5.5459  201.501 5.3284  -9.912781      7.690803  
1 1 1 -8  51  14 o 239.075 4.6573  31034.20   1205.98  30886.60   1599.98  31228.38   1835.12  238.266 6.1999  239.414 7.0769  -1.147659      9.408573  
1 1 1 -8  51  15 f 116.457 3.0829  7354.81    388.863  7113.69    550.318  7595.25    549.555  114.448 4.4395  118.270 4.2901  -3.821480      6.173656  
1 1 1 -8  51  16 o 101.358 3.0263  5572.78    332.230  5449.92    471.085  5694.36    468.614  100.148 4.3430  102.378 4.2261  -2.230476      6.059813  
1 1 1 -8  51  17 o 124.773 3.1398  8449.53    424.323  8463.88    611.226  8436.17    589.528  124.731 4.5244  124.546 4.3702  0.1853561      6.290364  
1 1 1 -8  51  18 f 163.749 3.5088  14571.68   622.319  13958.55   883.133  15176.44   877.081  159.959 5.0974  166.848 4.8534  -6.889297      7.038393  
1 1 1 -8  51  19 o 79.852  3.0278  3464.17    261.872  3716.12    380.313  3237.01    361.118  82.466  4.2725  76.939  4.3513  5.527603       6.098228  
1 1 1 -8  51  20 o 80.057  3.0561  3484.22    264.993  3085.06    385.460  3841.93    364.898  74.978  4.7714  83.949  4.0131  -8.971558      6.234681  
1 1 1 -8  51  21 o 66.932  3.2092  2438.17    232.647  1992.47    465.281  2586.74    268.639  59.458  7.3839  68.801  3.6177  -9.342991      8.222471  
1 1 1 -8  51  22 o 50.731  4.0555  1415.59    220.975  1595.61    484.909  1368.41    248.251  52.494  8.8429  49.749  4.6615  2.745449       9.996311  
1 1 1 -8  51  23 o 38.138  1.1232  788.369    46.396   814.596    47.271   99.479     242.265  38.767  1.1258  18.944  7.6475  19.82334       7.729952  
1 1 1 -8  51  24 o 42.155  4.7641  991.696    213.707  1035.25    489.004  981.413    237.598  41.070  10.836  41.767  5.3770  -0.6968193     12.09667  
1 1 1 -8  51  25 o 53.052  6.8908  1615.51    386.601  1630.52    524.878  1597.71    571.575  51.960  9.6828  50.864  10.713  1.096180       14.44073  
1 1 1 -8  51  26 o 19.980  2.2661  220.129    48.171   213.326    48.730   511.873    319.119  19.653  2.3349  29.286  9.1004  -9.632832      9.395197  
1 1 1 -8  51  27 o 69.569  3.8651  2682.40    290.089  2284.88    596.889  2805.33    331.926  60.964  9.3370  70.940  4.3408  -9.976704      10.29675  
1 1 1 -8  51  28 o 43.630  5.4888  1104.18    253.633  1240.03    532.969  1064.41    288.381  42.041  11.412  42.280  6.5060  -0.2385979     13.13626  
1 1 1 -8  51  29 o 15.724  7.0009  -35.2731   240.504  218.521    498.586  -112.2343  274.559  24.347  10.472  15.720  7.1908  8.626738       12.70347  
1 1 1 -8  51  30 o 30.389  8.6847  623.597    300.137  0.0000     0.0000   623.597    300.137  ?       ?       30.389  8.6847  0.000000       8.684710  
1 1 1 -8  51  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  51  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  52  1  o 216.852 3.9649  25491.08   931.251  26711.96   1318.16  24274.51   1315.82  221.887 5.4849  211.502 5.7440  10.38455       7.942110  
1 1 1 -8  52  2  o 66.523  2.6145  2397.56    188.380  2468.70    267.664  2327.75    265.172  67.389  3.6811  65.425  3.7579  1.963470       5.260437  
1 1 1 -8  52  3  f 138.257 3.2043  10358.39   479.835  10240.69   698.193  10463.73   660.548  137.419 4.6909  138.919 4.3901  -1.500244      6.424756  
1 1 1 -8  52  4  o 202.497 3.8595  22227.28   846.491  21457.39   1196.05  22999.93   1198.19  198.859 5.5531  205.895 5.3729  -7.036591      7.726891  
1 1 1 -8  52  5  o 128.694 3.0383  8974.63    423.499  8547.06    600.274  9398.36    597.572  125.549 4.4143  131.661 4.1905  -6.112228      6.086564  
1 1 1 -8  52  6  o 212.319 3.9896  24438.76   917.464  23670.32   1297.45  25207.28   1297.53  208.837 5.7361  215.525 5.5584  -6.687790      7.987384  
1 1 1 -8  52  7  o 216.611 4.7465  25449.15   1113.60  24674.17   1929.24  25836.38   1363.72  212.941 8.3648  218.172 5.7711  -5.230988      10.16243  
1 1 1 -8  52  8  o 476.164 9.2622  123542.10  4776.85  121088.50  5848.94  128456.80  8277.96  470.643 11.474  482.715 15.833  -12.07214      19.55340  
1 1 1 -8  52  9  o 360.574 6.2073  70615.71   2424.19  71795.51   3427.18  69434.34   3429.47  363.059 8.7154  357.002 8.8692  6.056519       12.43470  
1 1 1 -8  52  10 o 122.500 3.0188  8132.78    400.536  8099.17    563.124  8167.18    569.824  122.202 4.2546  122.713 4.2873  -0.5106049     6.040037  
1 1 1 -8  52  11 o 235.296 4.3812  30033.66   1116.55  29607.22   1577.51  30461.77   1580.57  233.416 6.2398  236.770 6.1633  -3.354462      8.770502  
1 1 1 -8  52  12 o 242.908 4.4903  32016.23   1181.38  33233.74   1670.39  30797.75   1671.06  247.260 6.2373  237.989 6.4828  9.270172       8.996124  
1 1 1 -8  52  13 o 131.584 3.2071  9387.34    457.078  9497.15    632.636  9267.43    661.116  132.284 4.4155  130.658 4.6717  1.626526       6.428127  
1 1 1 -8  52  14 o 376.135 6.4738  77032.57   2637.40  76724.70   3729.67  77340.50   3730.02  374.357 9.1985  375.872 9.1622  -1.515259      12.98299  
1 1 1 -8  52  15 o 183.962 3.8758  18370.27   772.249  18614.08   1041.71  18072.80   1150.64  185.007 5.1987  182.198 5.8308  2.808395       7.811788  
1 1 1 -8  52  16 o 108.873 3.0415  6430.74    358.652  6665.92    509.206  6199.21    505.240  110.751 4.2450  106.792 4.3680  3.958466       6.090949  
1 1 1 -8  52  17 o 213.147 4.0991  24703.97   946.320  24756.90   1339.99  24651.31   1336.61  212.939 5.8100  212.485 5.8077  0.4539032      8.214970  
1 1 1 -8  52  18 f 60.598  2.4685  1992.34    162.021  2083.23    317.059  1960.22    188.490  61.626  4.7877  60.087  2.8963  1.539181       5.595588  
1 1 1 -8  52  19 o 88.111  3.0782  4218.99    293.768  4074.90    432.280  4342.65    400.445  86.281  4.6428  89.268  4.1417  -2.986732      6.221662  
1 1 1 -8  52  20 o 65.071  3.3319  2309.84    234.038  2326.66    355.694  2297.00    310.792  64.995  5.0935  64.703  4.4621  0.2917557      6.771571  
1 1 1 -8  52  21 o 60.485  3.9956  2005.78    260.283  1956.64    442.011  2031.86    322.040  58.979  7.0597  60.684  4.9426  -1.704884      8.617910  
1 1 1 -8  52  22 o 69.161  2.5940  2600.63    194.312  2695.37    264.124  2488.87    286.882  70.300  3.4688  67.371  3.9488  2.928894       5.256024  
1 1 1 -8  52  23 o 92.742  3.2990  4693.35    331.384  4945.40    668.841  4611.35    381.501  93.923  6.6171  91.806  3.8367  2.117065       7.648892  
1 1 1 -8  52  24 o 73.897  5.4331  3045.06    431.806  3360.43    588.274  2676.65    635.826  76.864  7.1481  67.647  8.8935  9.216965       11.41010  
1 1 1 -8  52  25 o 83.421  5.1850  3881.99    466.169  3686.45    643.608  4097.78    676.117  80.019  7.5140  84.423  7.4713  -4.403816      10.59629  
1 1 1 -8  52  26 o 21.811  7.5678  254.795    218.411  695.788    469.103  132.740    246.792  33.618  11.095  19.493  7.7707  14.12455       13.54538  
1 1 1 -8  52  27 o 58.439  2.5641  1867.20    162.293  1883.96    192.766  1826.42    300.762  58.508  3.0525  56.882  4.9305  1.625984       5.798944  
1 1 1 -8  52  28 o 50.115  2.7472  1385.00    148.548  1231.66    170.131  1876.98    304.733  47.039  3.3615  57.268  4.9619  -10.22952      5.993343  
1 1 1 -8  52  29 o 5.6048  2.5503  -20.5350   33.958   -23.2996   34.242   143.795    264.003  5.5360  2.5350  19.372  7.9226  -13.83613      8.318294  
1 1 1 -8  52  30 o 37.441  7.6688  902.127    300.530  0.0000     0.0000   902.127    300.530  ?       ?       37.441  7.6688  0.000000       7.668786  
1 1 1 -8  52  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  52  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  53  1  o 150.265 3.3095  12236.42   538.621  11852.55   762.647  12618.44   760.807  147.834 4.7630  152.543 4.6048  -4.708755      6.624980  
1 1 1 -8  53  2  o 158.199 3.3459  13563.08   573.300  13631.46   811.385  13494.90   810.153  158.542 4.7251  157.745 4.7418  0.7969208      6.694123  
1 1 1 -8  53  3  o 324.128 5.6816  57012.68   1994.59  56696.94   2820.77  57328.43   2820.78  322.890 8.0657  324.691 8.0210  -1.800659      11.37507  
1 1 1 -8  53  4  o 372.546 6.4940  75368.61   2620.37  73666.84   3705.39  77071.07   3706.14  367.786 9.3018  376.234 9.0948  -8.448395      13.00920  
1 1 1 -8  53  5  f 65.427  2.8163  2319.45    199.573  2222.88    283.115  2414.84    281.372  63.900  4.1125  66.628  3.9162  -2.727985      5.678879  
1 1 1 -8  53  6  o 77.752  2.7430  3275.52    230.998  3328.15    325.801  3222.32    327.568  78.354  3.8390  76.996  3.9411  1.358482       5.501868  
1 1 1 -8  53  7  o 66.517  3.3515  2404.12    240.682  2365.08    415.826  2423.78    295.146  65.741  5.9028  66.735  4.1032  -0.9936905     7.188850  
1 1 1 -8  53  8  o 207.197 4.5519  23285.14   1021.53  22815.01   1248.92  24235.37   1775.59  205.012 5.6245  211.072 7.7668  -6.060333      9.589506  
1 1 1 -8  53  9  o 243.481 4.4756  32155.92   1180.29  32239.77   1667.68  32071.78   1670.68  243.605 6.3206  242.966 6.3486  0.6389313      8.958486  
1 1 1 -8  53  10 f 121.433 3.0785  7992.16    404.895  7519.32    572.878  8464.11    572.338  117.731 4.4926  124.921 4.2301  -7.189827      6.170660  
1 1 1 -8  53  11 o 242.691 4.4725  31955.46   1175.65  32507.80   1661.23  31401.26   1664.02  244.563 6.2715  240.348 6.3921  4.215210       8.954935  
1 1 1 -8  53  12 o 237.590 4.4180  30632.02   1136.91  30704.02   1605.35  30559.57   1610.31  237.630 6.2373  237.066 6.2715  0.5648346      8.845110  
1 1 1 -8  53  13 o 207.226 4.0148  23299.81   901.108  23341.98   1271.88  23257.30   1276.85  207.218 5.6669  206.837 5.6996  0.3807220      8.037366  
1 1 1 -8  53  14 o 35.760  4.6845  706.425    177.074  1006.40    242.281  362.454    259.440  42.692  5.3576  25.963  8.2258  16.72919       9.816679  
1 1 1 -8  53  15 o 176.777 3.6323  16961.57   695.473  16532.74   982.682  17391.92   984.416  174.321 5.2047  178.813 5.0829  -4.491272      7.274898  
1 1 1 -8  53  16 o 188.380 3.7694  19275.47   769.080  20592.63   1089.00  17964.87   1086.29  194.454 5.1706  181.552 5.5243  12.90198       7.566557  
1 1 1 -8  53  17 o 119.927 3.1148  7808.81    404.592  8505.52    581.719  7156.00    563.095  125.019 4.2960  114.641 4.5349  10.37788       6.246707  
1 1 1 -8  53  18 o 30.475  5.2263  521.377    166.297  550.344    252.545  499.202    220.965  30.985  7.5861  29.545  7.0105  1.439642       10.32936  
1 1 1 -8  53  19 o 112.020 3.0562  6820.06    370.810  6726.57    531.197  6908.91    517.864  111.033 4.4171  112.559 4.2478  -1.526413      6.128177  
1 1 1 -8  53  20 o 112.329 3.1280  6862.98    380.567  7020.86    561.240  6728.60    517.788  113.334 4.5721  111.008 4.3065  2.326157       6.280963  
1 1 1 -8  53  21 f 65.832  3.5255  2369.18    250.464  2985.64    463.384  2114.75    297.698  73.355  5.8818  62.006  4.4626  11.34844       7.383102  
1 1 1 -8  53  22 o 74.727  3.4738  3046.45    281.160  3341.32    566.437  2950.05    323.875  77.171  6.8480  73.320  4.0947  3.851028       7.978812  
1 1 1 -8  53  23 f 126.818 4.8013  8855.58    659.489  8688.13    915.019  9036.59    951.360  124.410 6.8165  126.797 6.9539  -2.386490      9.737597  
1 1 1 -8  53  24 o 96.921  4.8987  5204.22    512.571  5040.48    704.261  5388.65    747.432  94.321  6.9426  97.421  7.1331  -3.100052      9.953923  
1 1 1 -8  53  25 o 43.174  1.9419  1013.27    90.808   815.735    485.201  1020.44    92.441   36.224  11.216  43.324  1.9700  -7.099480      11.38735  
1 1 1 -8  53  26 o 19.999  7.4643  187.456    217.116  245.986    469.443  171.530    244.880  25.907  10.576  20.245  7.8382  5.662138       13.16433  
1 1 1 -8  53  27 o 19.690  7.4529  182.809    218.072  594.895    476.326  73.532     245.288  30.904  11.135  18.037  7.5307  12.86761       13.44241  
1 1 1 -8  53  28 o 52.379  4.6498  1564.63    261.051  1448.48    550.449  1598.33    296.518  45.200  11.280  52.571  5.2789  -7.370335      12.45391  
1 1 1 -8  53  29 o 40.043  6.0431  960.109    253.939  1344.52    535.150  848.398    288.486  42.738  11.364  36.674  7.5152  6.064472       13.62445  
1 1 1 -8  53  30 o 33.369  8.2191  741.433    295.104  0.0000     0.0000   741.433    295.104  ?       ?       33.369  8.2191  0.000000       8.219055  
1 1 1 -8  53  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  54  1  o 192.291 3.6252  20041.47   755.030  21187.40   1069.63  18903.48   1065.92  197.636 4.9969  186.663 5.2723  10.97304       7.263986  
1 1 1 -8  54  2  o 439.603 7.2810  105017.20  3466.75  106994.50  4903.37  103040.80  4902.07  442.982 10.220  434.664 10.413  8.317657       14.58982  
1 1 1 -8  54  3  o 353.155 6.1561  67710.06   2354.75  66170.09   3330.02  69250.20   3330.21  348.660 8.8181  356.723 8.6193  -8.062988      12.33088  
1 1 1 -8  54  4  o 52.700  2.9933  1509.81    170.151  1255.61    241.508  1760.35    239.762  47.885  4.7178  56.850  3.9178  -8.965160      6.132455  
1 1 1 -8  54  5  o 183.159 3.6116  18183.63   716.473  19135.19   1013.88  17234.47   1012.61  187.815 4.9841  178.227 5.2456  9.587982       7.235902  
1 1 1 -8  54  6  o 191.139 3.7456  19804.62   775.431  19668.84   1096.68  19940.37   1096.57  190.387 5.3183  191.699 5.2814  -1.312271      7.495138  
1 1 1 -8  54  7  o 223.851 4.8627  27184.07   1178.99  27210.16   2042.98  27171.05   1443.63  223.568 8.4369  223.700 5.9583  -0.1316833     10.32872  
1 1 1 -8  54  8  o 241.878 4.4357  31732.23   1162.05  30173.51   1640.10  33303.50   1646.69  235.665 6.4255  247.621 6.1398  -11.95613      8.887311  
1 1 1 -8  54  9  o 196.270 4.0627  20890.52   863.654  21123.01   1153.81  20594.28   1302.44  197.255 5.4005  194.697 6.1763  2.557480       8.204392  
1 1 1 -8  54  10 f 278.250 4.9707  42020.46   1498.04  41204.75   2116.88  42838.75   2120.23  275.224 7.1013  280.650 6.9751  -5.426025      9.953928  
1 1 1 -8  54  11 o 83.329  2.9465  3763.55    265.936  3474.32    376.545  4051.39    375.638  79.904  4.3674  86.425  4.0129  -6.521660      5.931103  
1 1 1 -8  54  12 o 279.313 5.0210  42366.61   1518.96  41968.34   2146.32  42766.25   2149.97  277.606 7.1383  280.244 7.0831  -2.638550      10.05614  
1 1 1 -8  54  13 o 49.881  3.6098  1356.67    193.707  1304.73    264.763  1416.50    284.149  48.741  5.0903  50.787  5.2409  -2.045925      7.306062  
1 1 1 -8  54  14 o 178.749 3.8400  17341.89   743.441  17008.22   999.451  17755.21   1112.36  176.855 5.2176  180.628 5.6858  -3.772552      7.716990  
1 1 1 -8  54  15 o 101.049 3.0377  5539.20    332.467  5371.73    472.888  5702.89    467.517  99.416  4.3917  102.449 4.2133  -3.033234      6.085923  
1 1 1 -8  54  16 o 236.252 4.4230  30361.95   1131.78  30585.91   1600.67  30138.03   1600.49  236.599 6.2462  234.845 6.2922  1.754013       8.866055  
1 1 1 -8  54  17 o 170.900 3.5802  15874.23   662.702  15300.23   938.418  16445.27   935.991  167.453 5.1741  173.654 4.9764  -6.201782      7.178847  
1 1 1 -8  54  18 f 40.659  1.8319  896.279    80.672   888.532    85.544   958.532    242.501  40.479  1.9511  41.500  5.5330  -1.020187      5.866898  
1 1 1 -8  54  19 f 62.568  2.5432  2125.56    172.346  1965.40    342.858  2179.71    199.365  59.668  5.3625  63.335  2.9063  -3.667736      6.099420  
1 1 1 -8  54  20 o 79.316  3.2470  3423.70    278.945  3288.74    436.172  3517.10    362.849  77.263  5.2432  80.153  4.1942  -2.890121      6.714341  
1 1 1 -8  54  21 f 83.012  3.4046  3755.62    306.114  3854.77    461.945  3678.01    408.742  83.617  5.1254  81.804  4.6322  1.812691       6.908484  
1 1 1 -8  54  22 o 85.756  4.9395  4056.98    456.855  4063.16    621.568  4049.71    673.766  85.132  6.7977  84.719  7.4174  0.4130173      10.06116  
1 1 1 -8  54  23 o 55.762  6.3815  1756.03    378.476  1847.31    506.475  1640.61    569.550  56.328  8.5721  52.177  10.443  4.150833       13.51039  
1 1 1 -8  54  24 o 48.851  4.6153  1327.76    241.307  996.629    498.207  1429.25    275.819  40.065  11.099  50.552  5.1076  -10.48672      12.21782  
1 1 1 -8  54  25 o 29.912  6.9706  527.402    221.652  796.122    465.165  448.465    252.115  35.801  10.965  27.533  7.9868  8.268181       13.56516  
1 1 1 -8  54  26 o 40.979  5.1047  951.838    221.656  1366.77    494.876  847.706    247.914  46.676  10.084  38.240  6.1977  8.435139       11.83596  
1 1 1 -8  54  27 o 26.317  7.7855  424.161    237.483  926.937    491.191  270.780    271.299  36.900  11.261  22.605  8.3622  14.29471       14.02636  
1 1 1 -8  54  28 o 45.763  5.0742  1209.98    247.274  1509.59    536.501  1129.17    278.634  46.501  10.850  43.628  6.0602  2.873219       12.42809  
1 1 1 -8  54  29 o 50.902  4.8345  1495.80    263.338  1203.34    558.820  1579.28    298.568  39.422  12.007  51.936  5.3860  -12.51353      13.15967  
1 1 1 -8  54  30 o 33.699  11.799  918.485    531.485  0.0000     0.0000   918.485    531.485  ?       ?       33.699  11.799  0.000000       11.79898  
1 1 1 -8  54  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  55  1  o 208.267 4.2033  23517.54   948.156  24048.16   1433.57  23104.93   1264.14  210.450 6.2893  206.333 5.6566  4.116577       8.458860  
1 1 1 -8  55  2  o 224.516 4.2815  27331.83   1041.15  26542.04   1472.79  28120.81   1472.04  221.105 6.1499  227.602 5.9713  -6.497314      8.571978  
1 1 1 -8  55  3  o 155.447 3.2868  13095.52   553.384  12532.06   780.932  13663.83   784.285  152.006 4.7433  158.731 4.5619  -6.724548      6.580997  
1 1 1 -8  55  4  o 183.013 3.6330  18155.01   720.146  17182.22   1017.89  19129.91   1018.99  177.952 5.2811  187.786 5.0100  -9.833191      7.279461  
1 1 1 -8  55  5  o 287.300 5.1022  44782.96   1587.70  45404.52   2245.41  44161.49   2245.27  289.028 7.1728  285.030 7.2729  3.998352       10.21488  
1 1 1 -8  55  6  o 191.069 3.7953  19791.60   785.423  20419.31   1112.14  19167.02   1109.37  193.979 5.2934  187.925 5.4503  6.053909       7.597787  
1 1 1 -8  55  7  o 171.629 4.9963  15983.02   928.776  15839.23   1311.90  16127.50   1315.08  170.689 7.0962  172.240 7.0493  -1.550613      10.00247  
1 1 1 -8  55  8  o 174.090 3.5365  16429.86   666.844  16515.98   940.911  16342.94   945.222  174.458 4.9795  173.538 5.0289  0.9198608      7.077073  
1 1 1 -8  55  9  f 47.156  3.5293  1212.27    178.953  1304.90    257.004  1125.09    249.326  48.789  4.9312  45.234  5.1825  3.554790       7.153718  
1 1 1 -8  55  10 o 92.475  2.8738  4634.70    287.843  4621.19    402.572  4648.83    411.727  92.306  4.0266  92.579  4.1061  -0.2728271     5.750977  
1 1 1 -8  55  11 o 157.971 3.3743  13530.37   577.346  13580.74   813.814  13479.34   819.195  158.172 4.7503  157.577 4.7998  0.5954895      6.753075  
1 1 1 -8  55  12 o 242.551 4.4760  31935.17   1175.87  31427.05   1661.26  32445.35   1664.62  240.321 6.3823  244.200 6.2936  -3.878464      8.963411  
1 1 1 -8  55  13 o 231.350 4.3520  29061.13   1090.51  28648.69   1543.31  29472.41   1541.13  229.393 6.2116  232.687 6.1150  -3.293457      8.716463  
1 1 1 -8  55  14 o 131.754 3.2250  9417.07    460.214  9876.65    651.861  8960.36    649.825  134.824 4.4639  128.398 4.6727  6.426544       6.462263  
1 1 1 -8  55  15 o 275.626 4.9730  41347.70   1484.60  40470.25   2099.62  42225.03   2099.47  271.973 7.1276  277.866 6.9760  -5.893341      9.973337  
1 1 1 -8  55  16 o 122.803 3.1024  8186.57    412.648  8351.79    582.694  8020.35    584.455  123.895 4.3423  121.398 4.4450  2.496811       6.213969  
1 1 1 -8  55  17 o 79.554  3.0234  3436.93    260.507  3297.13    370.336  3573.86    366.518  77.672  4.4204  80.911  4.1967  -3.239281      6.095256  
1 1 1 -8  55  18 o 57.727  3.4799  1819.06    216.563  1925.49    323.286  1732.42    291.679  59.138  5.0970  56.118  4.8463  3.019627       7.033253  
1 1 1 -8  55  19 o 97.904  2.9887  5210.13    316.918  5289.37    457.525  5137.04    439.405  98.453  4.2906  97.044  4.1805  1.409363       5.990460  
1 1 1 -8  55  20 o 64.001  2.6904  2226.15    186.501  2203.93    221.265  2280.69    346.597  63.551  3.2251  64.311  5.0155  -0.7601204     5.962959  
1 1 1 -8  55  21 o 104.340 3.4466  5935.40    389.503  6029.92    611.752  5870.95    505.119  104.521 5.4225  103.527 4.5047  0.9933777      7.049531  
1 1 1 -8  55  22 o 99.659  4.7453  5459.27    512.210  5110.07    700.865  5859.60    750.419  95.450  6.8243  102.245 6.8153  -6.795036      9.644688  
1 1 1 -8  55  23 o 68.539  5.5384  2621.26    407.628  2492.17    553.756  2773.94    602.237  65.821  7.9270  69.361  8.1734  -3.539673      11.38602  
1 1 1 -8  55  24 o 36.522  5.9196  762.785    226.148  640.619    465.094  800.612    258.802  32.932  11.053  37.192  6.6696  -4.260654      12.90905  
1 1 1 -8  55  25 o 16.466  6.9454  31.924     211.991  -237.1726  447.070  109.980    240.782  19.882  9.1247  18.910  7.6276  0.9720573      11.89281  
1 1 1 -8  55  26 o 28.585  1.9366  446.693    59.605   439.750    61.278   568.640    256.802  28.351  2.0086  30.648  7.7356  -2.297453      7.992111  
1 1 1 -8  55  27 o 30.610  7.0588  572.131    229.245  668.976    487.866  544.688    259.702  31.788  11.288  29.522  7.9463  2.265688       13.80477  
1 1 1 -8  55  28 o 23.318  7.6926  331.661    225.525  -294.9384  493.968  496.668    253.486  19.433  9.1422  27.900  7.9840  -8.466759      12.13774  
1 1 1 -8  55  29 o 13.578  6.2872  -133.1263  219.089  -546.3293  487.855  -28.7392   245.207  17.329  8.3975  15.884  7.0706  1.445477       10.97773  
1 1 1 -8  55  30 o 28.526  11.034  597.244    484.927  0.0000     0.0000   597.244    484.927  ?       ?       28.526  11.034  0.000000       11.03407  
1 1 1 -8  55  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  56  1  o 86.392  2.7797  4044.11    260.105  3512.63    370.116  4562.75    365.615  80.374  4.2669  91.747  3.6793  -11.37295      5.634135  
1 1 1 -8  56  2  o 177.890 3.5863  17152.60   690.981  16841.60   977.768  17462.87   976.623  176.188 5.1238  179.415 5.0257  -3.226501      7.177109  
1 1 1 -8  56  3  o 307.938 5.3792  51457.58   1794.13  50788.65   2537.36  52126.43   2537.22  305.611 7.6656  309.626 7.5657  -4.015228      10.77037  
1 1 1 -8  56  4  o 162.000 3.5709  14225.51   626.564  13524.23   848.785  15065.25   928.801  157.889 4.9633  166.631 5.1463  -8.741745      7.149774  
1 1 1 -8  56  5  o 87.728  2.6127  4169.97    248.255  4110.34    375.063  4216.47    331.186  87.069  3.9771  88.199  3.4669  -1.129242      5.276066  
1 1 1 -8  56  6  o 186.755 4.2632  18914.33   862.341  19545.85   1492.91  18598.13   1056.40  189.595 7.2700  185.119 5.2687  4.475479       8.978478  
1 1 1 -8  56  7  o 108.357 3.3915  6364.45    398.035  6419.85    487.002  6252.98    690.805  108.803 4.1326  107.133 5.9772  1.669769       7.266671  
1 1 1 -8  56  8  o 23.096  5.5436  301.292    136.917  284.207    185.592  321.693    202.811  22.809  6.9134  24.182  7.2041  -1.373266      9.984738  
1 1 1 -8  56  9  o 194.701 3.8308  20556.52   807.843  20669.73   1143.07  20443.55   1141.86  195.108 5.4091  194.036 5.4333  1.072678       7.666745  
1 1 1 -8  56  10 o 159.115 3.4813  13727.35   599.959  13934.85   816.963  13484.43   883.929  160.232 4.7074  157.585 5.1788  2.647491       6.998582  
1 1 1 -8  56  11 o 138.264 3.1723  10364.39   475.073  9843.08    664.584  10909.15   679.370  134.662 4.5565  141.776 4.4242  -7.114212      6.351001  
1 1 1 -8  56  12 o 139.159 3.2053  10500.94   483.120  10434.48   683.658  10567.24   682.813  138.625 4.5533  139.507 4.5189  -0.8818512     6.415078  
1 1 1 -8  56  13 o 114.942 3.0456  7164.76    379.158  7134.46    534.310  7195.49    538.130  114.620 4.3039  115.108 4.3163  -0.4882889     6.095423  
1 1 1 -8  56  14 o 206.508 3.9919  23161.74   892.860  22900.38   1260.51  23424.92   1264.89  205.036 5.6760  207.381 5.6314  -2.344360      7.995616  
1 1 1 -8  56  15 o 206.048 4.0034  23072.86   893.443  22259.65   1261.94  23890.14   1265.10  202.003 5.7678  209.319 5.5801  -7.316086      8.025315  
1 1 1 -8  56  16 o 86.960  2.7341  4103.44    257.515  3966.80    393.817  4205.52    340.366  85.377  4.2588  87.972  3.5722  -2.594872      5.558536  
1 1 1 -8  56  17 o 103.269 2.9235  5791.43    326.995  5458.44    474.958  6091.48    450.865  100.084 4.3815  105.792 3.9348  -5.707909      5.888994  
1 1 1 -8  56  18 o 63.429  3.2402  2193.09    221.859  2321.32    317.976  2071.46    309.699  65.062  4.5408  61.416  4.6912  3.645782       6.528890  
1 1 1 -8  56  19 o 69.574  3.5485  2642.57    266.512  2380.50    419.979  2819.25    344.841  65.530  5.9832  71.706  4.4622  -6.175446      7.463921  
1 1 1 -8  56  20 o 55.221  4.1157  1674.78    244.394  1928.26    381.233  1497.94    318.433  58.819  6.0715  51.846  5.7684  6.972912       8.374792  
1 1 1 -8  56  21 o 38.310  6.8322  839.132    273.095  953.713    380.228  717.039    392.494  40.301  8.9443  34.888  9.9179  5.413036       13.35535  
1 1 1 -8  56  22 o 73.716  5.2878  3014.34    419.382  2739.84    567.409  3344.87    622.622  69.352  7.6830  76.743  7.5901  -7.391083      10.79989  
1 1 1 -8  56  23 o 74.836  3.5467  3063.98    287.474  3461.33    576.528  2932.50    331.643  78.188  6.8779  72.944  4.2157  5.243889       8.067026  
1 1 1 -8  56  24 o 79.150  3.4810  3432.00    298.419  3381.07    601.654  3448.61    343.672  76.777  7.3240  79.092  4.0251  -2.315468      8.357152  
1 1 1 -8  56  25 o 64.568  3.8729  2302.61    269.597  2719.78    554.855  2173.69    308.456  68.386  7.6207  62.481  4.5901  5.904682       8.896293  
1 1 1 -8  56  26 o 29.814  1.7220  484.983    55.369   404.637    468.499  486.121    55.759   27.940  10.835  29.848  1.7322  -1.908047      10.97241  
1 1 1 -8  56  27 o 54.225  4.1655  1654.80    242.773  1662.41    423.749  1651.08    296.204  52.073  7.7493  53.631  5.1630  -1.557659      9.311727  
1 1 1 -8  56  28 o 24.712  7.6808  381.643    227.306  646.206    495.024  310.956    255.876  30.585  11.299  22.955  8.1727  7.630350       13.94513  
1 1 1 -8  56  29 o 27.922  7.5416  501.636    233.443  516.863    513.919  497.678    262.037  27.979  11.193  27.534  8.1855  0.4447842      13.86698  
1 1 1 -8  56  30 o 20.616  9.2114  58.959     420.389  0.0000     0.0000   58.959     420.389  ?       ?       20.616  9.2114  0.000000       9.211448  
1 1 1 -8  56  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  57  1  o 215.598 4.0314  25202.05   941.389  25823.63   1333.04  24583.65   1329.62  218.118 5.6426  212.806 5.7686  5.312073       8.069456  
1 1 1 -8  57  2  o 205.999 4.1219  23009.23   919.660  23468.86   1229.12  22424.64   1386.19  207.950 5.4572  203.199 6.2984  4.751312       8.333695  
1 1 1 -8  57  3  o 229.955 4.3275  28676.30   1077.82  28270.58   1523.88  29082.45   1524.67  228.161 6.1665  231.423 6.0827  -3.261673      8.661709  
1 1 1 -8  57  4  o 73.949  2.8021  2963.19    224.436  2806.69    315.073  3124.40    319.781  71.832  4.0664  75.812  3.9077  -3.980606      5.639679  
1 1 1 -8  57  5  o 96.993  2.7202  5097.65    285.768  4710.79    419.829  5431.63    390.081  93.204  4.1588  100.099 3.5980  -6.894142      5.499169  
1 1 1 -8  57  6  o 159.829 3.9304  13851.43   680.394  13200.50   1175.58  14179.31   834.338  155.819 6.9657  161.662 4.7650  -5.842682      8.439549  
1 1 1 -8  57  7  f 140.304 3.6856  10672.76   560.076  10814.03   685.417  10388.89   971.591  141.191 4.4821  138.260 6.4881  2.930923       7.885689  
1 1 1 -8  57  8  f 312.252 5.4859  52942.71   1855.35  51225.68   2623.36  54661.07   2624.37  306.711 7.8969  316.883 7.6464  -10.17197      10.99221  
1 1 1 -8  57  9  o 162.311 3.4258  14283.33   602.252  14649.14   853.088  13919.87   850.346  164.287 4.7942  160.137 4.9027  4.149643       6.857187  
1 1 1 -8  57  10 o 87.603  2.8775  4159.65    273.023  4150.69    383.438  4168.87    388.845  87.471  4.0473  87.660  4.0955  -0.1895065     5.757888  
1 1 1 -8  57  11 f 169.030 3.6446  15497.32   667.237  15718.12   903.195  15232.04   990.000  170.120 4.9018  167.411 5.4598  2.708923       7.337400  
1 1 1 -8  57  12 o 52.808  3.5056  1519.43    199.372  1477.98    292.216  1555.52    272.702  51.877  5.2741  53.298  4.7745  -1.421837      7.114195  
1 1 1 -8  57  13 o 186.822 3.7452  18945.21   757.841  18787.47   1071.73  19102.97   1071.77  185.823 5.3249  187.384 5.2808  -1.561020      7.499443  
1 1 1 -8  57  14 o 193.963 3.8659  20434.35   812.164  19998.88   1148.70  20869.63   1148.45  191.588 5.5356  195.740 5.4170  -4.151474      7.745160  
1 1 1 -8  57  15 o 112.121 3.0126  6822.72    365.845  6411.71    514.429  7243.32    520.388  108.560 4.3751  115.411 4.1630  -6.850677      6.039219  
1 1 1 -8  57  16 o 95.141  2.8142  4913.42    289.996  4681.00    431.698  5104.55    391.478  92.721  4.2986  96.890  3.7304  -4.168243      5.691605  
1 1 1 -8  57  17 o 140.287 3.2633  10696.94   495.843  10735.56   705.947  10659.34   696.602  140.278 4.6464  139.789 4.6009  0.4888000      6.538877  
1 1 1 -8  57  18 o 128.381 3.1672  8960.90    440.392  8903.86    629.818  9015.47    616.028  127.704 4.5535  128.531 4.4251  -0.8268433     6.349448  
1 1 1 -8  57  19 o 118.276 3.2226  7611.91    412.827  7692.90    605.741  7541.68    564.130  118.583 4.7162  117.481 4.4334  1.102333       6.472876  
1 1 1 -8  57  20 o 39.526  6.4574  885.659    266.898  1234.54    379.973  545.892    374.978  46.417  7.8370  31.076  9.8938  15.34076       12.62170  
1 1 1 -8  57  21 o 54.395  5.5850  1648.96    324.374  2052.29    482.630  1316.68    438.070  60.089  7.5846  47.520  8.8365  12.56899       11.64514  
1 1 1 -8  57  22 o 69.780  2.7667  2651.57    209.108  3135.78    550.820  2570.04    226.029  74.537  6.9012  68.660  3.0394  5.876595       7.540883  
1 1 1 -8  57  23 o 83.666  3.4243  3828.23    310.307  3585.35    619.541  3909.56    358.520  79.322  7.2929  84.422  3.9209  -5.099754      8.280075  
1 1 1 -8  57  24 o 68.495  3.7878  2583.73    279.911  2765.20    564.266  2524.50    322.371  69.156  7.6620  67.495  4.4344  1.661545       8.852715  
1 1 1 -8  57  25 o 35.634  6.1786  735.766    229.822  386.040    478.197  840.807    262.073  28.180  10.941  37.984  6.6102  -9.804260      12.78303  
1 1 1 -8  57  26 o 45.835  5.0139  1193.90    244.854  1061.88    511.634  1233.11    278.862  39.754  11.331  46.291  5.6812  -6.536289      12.67572  
1 1 1 -8  57  27 o 16.674  7.0653  49.387     220.986  -69.9634   465.332  84.143     251.110  20.992  9.5083  18.148  7.6018  2.844860       12.17352  
1 1 1 -8  57  28 o 15.595  6.8175  -0.8400    218.478  153.670    476.207  -42.0328   245.883  23.313  10.130  15.804  7.0544  7.508544       12.34460  
1 1 1 -8  57  29 o 13.089  6.1328  -167.3816  218.505  -155.3048  480.905  -170.5235  245.287  19.882  9.2436  13.971  6.5308  5.910903       11.31790  
1 1 1 -8  57  30 o 23.874  9.9839  311.217    432.119  0.0000     0.0000   311.217    432.119  ?       ?       23.874  9.9839  0.000000       9.983864  
1 1 1 -8  57  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  58  1  o 158.780 3.4049  13665.13   585.563  13452.49   829.622  13876.22   826.609  157.469 4.8643  159.935 4.7719  -2.466187      6.814075  
1 1 1 -8  58  2  f 199.087 4.1232  21492.35   889.088  20773.71   1339.94  22057.62   1188.38  195.559 6.3261  201.591 5.4427  -6.031952      8.345206  
1 1 1 -8  58  3  o 47.242  2.9702  1214.22    151.205  863.325    210.440  1588.71    217.402  39.573  5.0228  54.005  3.7397  -14.43163      6.262102  
1 1 1 -8  58  4  o 115.261 2.8917  7199.29    361.000  6654.40    508.673  7752.22    512.411  110.771 4.2398  119.570 3.9566  -8.799644      5.799183  
1 1 1 -8  58  5  o 202.232 3.8898  22175.46   852.006  21908.30   1204.39  22443.09   1205.44  200.883 5.5355  203.325 5.4738  -2.442596      7.784825  
1 1 1 -8  58  6  o 284.185 7.1517  43923.79   2201.31  42140.62   3109.48  45715.35   3116.78  277.711 10.338  289.346 9.9453  -11.63489      14.34492  
1 1 1 -8  58  7  o 30.981  4.6357  532.257    150.773  357.411    217.812  693.113    208.916  25.412  7.4386  35.288  5.6573  -9.875887      9.345475  
1 1 1 -8  58  8  o 60.173  3.0828  1967.79    200.242  1864.38    284.531  2069.27    281.859  58.442  4.5304  61.616  4.2495  -3.173065      6.211496  
1 1 1 -8  58  9  o 126.123 3.0749  8622.88    420.050  8942.13    596.404  8308.63    591.705  128.377 4.2893  123.739 4.4150  4.637901       6.155459  
1 1 1 -8  58  10 o 156.406 3.3520  13264.84   567.847  12984.98   801.581  13546.78   804.541  154.644 4.7857  157.961 4.7025  -3.317047      6.709424  
1 1 1 -8  58  11 o 56.787  3.1929  1754.23    195.589  1756.08    270.972  1752.22    282.605  56.698  4.4482  56.613  4.6499  0.8528519E-01  6.434932  
1 1 1 -8  58  12 o 153.608 3.3364  12799.71   555.088  12772.70   782.665  12827.04   787.382  153.317 4.7132  153.641 4.7316  -0.3237762     6.678488  
1 1 1 -8  58  13 o 146.174 3.2594  11593.53   516.026  11598.83   727.726  11588.18   731.832  146.068 4.5998  145.998 4.6280  0.7049561E-01  6.525109  
1 1 1 -8  58  14 o 156.591 3.5469  13315.27   601.572  12935.56   816.391  13766.38   889.849  154.154 4.8896  158.980 5.1678  -4.825760      7.114355  
1 1 1 -8  58  15 o 132.137 3.1505  9480.10    450.896  8875.44    634.980  10095.09   640.381  127.668 4.5921  136.198 4.3411  -8.529350      6.319183  
1 1 1 -8  58  16 o 56.769  3.4223  1757.94    209.439  1531.92    301.319  1969.20    291.318  52.686  5.3547  59.943  4.5203  -7.256653      7.007562  
1 1 1 -8  58  17 o 73.832  3.0492  2962.02    243.835  2615.34    344.440  3310.29    345.231  69.074  4.6308  77.839  4.1095  -8.764862      6.191269  
1 1 1 -8  58  18 f 102.396 3.0553  5699.94    338.845  5411.39    482.591  5980.52    475.878  99.552  4.4757  104.708 4.1961  -5.156021      6.135038  
1 1 1 -8  58  19 o 40.509  5.8997  921.532    251.250  969.387    340.601  864.406    372.131  41.039  7.9499  38.458  9.0795  2.580894       12.06801  
1 1 1 -8  58  20 o 57.612  4.8804  1833.50    301.672  1962.93    420.388  1696.09    433.156  59.135  6.6806  54.659  7.5156  4.476482       10.05556  
1 1 1 -8  58  21 o 56.112  4.3566  1735.88    262.697  2221.15    433.981  1455.25    330.028  62.901  6.4619  50.894  6.1091  12.00688       8.892576  
1 1 1 -8  58  22 f 91.244  3.2077  4543.81    317.006  5244.69    649.304  4324.46    363.240  96.815  6.2250  88.882  3.7732  7.933250       7.279294  
1 1 1 -8  58  23 o 67.367  3.7714  2495.94    274.073  2743.57    553.209  2415.39    315.516  69.138  7.5083  66.074  4.4345  3.064102       8.720067  
1 1 1 -8  58  24 o 22.134  7.6177  262.228    221.084  275.987    448.090  257.800    254.176  26.276  10.472  22.556  8.1330  3.720419       13.25925  
1 1 1 -8  58  25 o 46.874  4.9063  1236.83    245.400  1191.21    500.836  1251.24    281.508  43.186  10.750  46.862  5.6610  -3.675434      12.14907  
1 1 1 -8  58  26 o 15.106  2.3226  127.505    36.784   667.129    462.013  124.063    36.902   32.051  11.013  14.888  2.3677  17.16335       11.26491  
1 1 1 -8  58  27 o 18.597  7.4037  141.493    223.761  -69.2255   475.885  201.305    253.537  21.153  9.5950  20.507  7.9655  0.6464901      12.47048  
1 1 1 -8  58  28 o 37.059  6.1511  825.998    238.239  203.677    509.273  1000.34    269.552  24.253  10.508  40.750  6.3112  -16.49736      12.25727  
1 1 1 -8  58  29 o 44.136  6.0657  1175.56    282.298  0.0000     0.0000   1175.56    282.298  ?       ?       44.136  6.0657  0.000000       6.065699  
1 1 1 -8  58  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  59  1  o 225.172 4.4637  27501.61   1088.62  26653.46   1652.60  28151.77   1446.91  221.429 6.8907  227.686 5.8672  -6.256958      9.050195  
1 1 1 -8  59  2  o 190.280 3.7074  19629.33   764.067  19707.40   1081.03  19551.41   1080.08  190.554 5.2378  189.797 5.2541  0.7569122      7.418890  
1 1 1 -8  59  3  o 112.081 2.8505  6807.52    346.032  6965.35    489.967  6650.46    488.761  113.337 3.9914  110.743 4.0749  2.594452       5.704003  
1 1 1 -8  59  4  f 51.282  2.1415  1424.72    118.947  1360.30    137.533  1615.93    236.940  50.040  2.5460  54.439  4.0474  -4.398167      4.781584  
1 1 1 -8  59  5  o 136.977 3.1648  10169.54   469.524  10000.70   665.059  10337.31   662.961  135.776 4.5224  138.046 4.4340  -2.270706      6.333416  
1 1 1 -8  59  6  o 113.350 4.1258  6968.34    506.521  6924.43    715.791  7012.39    716.867  112.753 5.8816  113.472 5.8528  -0.7190170     8.297490  
1 1 1 -8  59  7  o 191.379 3.7750  19861.48   782.490  19077.88   1107.16  20643.54   1106.06  187.429 5.4538  194.989 5.2372  -7.560440      7.561258  
1 1 1 -8  59  8  o 147.768 3.3111  11838.10   529.937  11434.85   726.312  12297.16   774.937  145.153 4.6198  150.517 4.7535  -5.364029      6.628616  
1 1 1 -8  59  9  o 174.386 3.5799  16492.28   676.165  16782.20   958.062  16204.56   954.431  175.791 5.0319  172.732 5.1015  3.058594       7.165562  
1 1 1 -8  59  10 o 73.050  3.0365  2893.18    240.251  2766.55    336.728  3024.48    342.888  71.255  4.3843  74.526  4.2656  -3.271088      6.116999  
1 1 1 -8  59  11 o 37.947  4.1481  791.009    167.714  987.830    241.679  608.183    232.929  42.283  5.4006  32.809  6.7790  9.473507       8.667277  
1 1 1 -8  59  12 o 43.366  3.6659  1027.99    170.575  1053.11    235.835  1000.44    247.011  43.713  5.0756  42.526  5.4911  1.187260       7.477498  
1 1 1 -8  59  13 o 60.804  3.1085  2011.23    204.035  2077.45    284.631  1941.23    292.633  61.677  4.2874  59.576  4.5699  2.101437       6.266244  
1 1 1 -8  59  14 o 158.806 3.4027  13695.07   585.275  13125.20   824.063  14275.13   831.394  155.239 4.9010  161.926 4.7404  -6.687225      6.818504  
1 1 1 -8  59  15 o 86.916  2.7403  4099.84    257.968  3910.79    400.070  4234.38    337.502  84.638  4.3792  88.269  3.5302  -3.631477      5.624885  
1 1 1 -8  59  16 o 93.382  2.9504  4736.00    298.414  4550.43    419.706  4925.73    424.375  91.394  4.2399  95.104  4.1198  -3.710007      5.911823  
1 1 1 -8  59  17 f 59.733  3.5549  1948.28    228.954  2142.95    335.104  1777.85    313.549  62.416  4.9988  56.786  5.1541  5.630844       7.180058  
1 1 1 -8  59  18 o 69.734  4.3874  2665.68    329.690  3089.25    455.662  2200.30    477.616  74.804  5.6661  62.668  7.1654  12.13572       9.134996  
1 1 1 -8  59  19 o 64.829  4.5245  2310.42    315.705  2702.24    434.784  1873.42    459.161  69.818  5.8021  57.545  7.5490  12.27287       9.521144  
1 1 1 -8  59  20 o 57.100  4.4370  1795.98    272.252  1644.80    351.882  2021.46    429.726  54.216  6.0982  59.976  6.7314  -5.759434      9.082952  
1 1 1 -8  59  21 o 30.602  7.4251  545.951    243.602  485.725    368.493  592.703    324.664  29.512  9.8378  31.769  9.0165  -2.257336      13.34462  
1 1 1 -8  59  22 o 27.072  8.2616  422.606    264.379  379.084    443.041  446.674    329.471  28.190  10.634  28.154  9.2984  0.3516579E-01  14.12609  
1 1 1 -8  59  23 f 36.407  6.0354  759.255    229.655  824.841    465.875  738.201    263.955  36.611  10.921  35.548  7.1040  1.063206       13.02852  
1 1 1 -8  59  24 o 80.242  3.5116  3531.34    305.198  3178.48    613.449  3647.40    351.830  74.011  7.7685  81.401  3.9905  -7.390068      8.733507  
1 1 1 -8  59  25 o 90.167  3.4231  4470.31    334.304  5491.05    676.241  4140.17    384.585  97.924  6.4113  86.489  4.1055  11.43507       7.613146  
1 1 1 -8  59  26 o 34.737  1.6626  656.713    62.555   667.370    64.370   475.642    265.325  35.015  1.6973  27.628  8.2420  7.386368       8.414965  
1 1 1 -8  59  27 o 28.240  7.5131  500.456    233.818  713.322    494.283  439.091    265.390  31.992  11.362  26.362  8.3161  5.629686       14.08040  
1 1 1 -8  59  28 f 27.250  7.5600  473.385    230.968  649.069    501.437  426.074    260.216  30.315  11.338  25.774  8.2458  4.541348       14.01929  
1 1 1 -8  59  29 o 20.087  7.9292  201.753    254.641  0.0000     0.0000   201.753    254.641  ?       ?       20.087  7.9292  0.000000       7.929216  
1 1 1 -8  59  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  60  1  o 263.532 4.7792  37681.07   1364.14  37945.64   1930.53  37417.22   1927.85  264.209 6.7462  262.358 6.7844  1.851654       9.567592  
1 1 1 -8  60  2  o 184.668 3.6477  18488.58   729.605  18183.85   1033.01  18791.91   1030.63  183.036 5.2107  186.078 5.1137  -3.042847      7.300807  
1 1 1 -8  60  3  o 166.707 3.5029  15065.91   632.481  14186.24   893.399  15949.78   895.532  161.674 5.1019  171.449 4.8225  -9.774719      7.020446  
1 1 1 -8  60  4  o 36.911  3.5519  745.434    140.247  621.641    197.331  871.791    199.363  33.376  5.6610  39.807  4.7156  -6.431099      7.367760  
1 1 1 -8  60  5  o 50.225  3.8082  1375.73    205.621  1204.28    337.182  1477.24    259.447  46.560  6.8946  51.970  4.6586  -5.410023      8.320961  
1 1 1 -8  60  6  o 168.102 4.3192  15330.46   786.411  15073.66   904.726  16124.22   1590.59  166.637 5.0127  171.957 8.5402  -5.319778      9.902652  
1 1 1 -8  60  7  f 175.990 3.5993  16795.16   686.088  16284.91   971.420  17303.00   969.133  173.175 5.1791  178.522 5.0121  -5.346420      7.207231  
1 1 1 -8  60  8  o 223.623 4.4505  27140.02   1077.95  27277.36   1434.20  26961.70   1634.20  224.004 5.9113  222.571 6.7790  1.432907       8.994363  
1 1 1 -8  60  9  o 204.212 3.9535  22626.63   874.452  22559.01   1237.85  22693.98   1235.47  203.712 5.6102  204.325 5.5827  -0.6122742     7.914614  
1 1 1 -8  60  10 o 181.692 3.6701  17910.49   722.249  18078.06   1024.91  17745.18   1017.95  182.374 5.1886  180.685 5.2016  1.688507       7.346988  
1 1 1 -8  60  11 o 151.102 3.3294  12386.18   544.884  12574.54   775.128  12202.17   766.116  152.115 4.7047  149.844 4.7205  2.270920       6.664611  
1 1 1 -8  60  12 o 84.387  2.9220  3862.51    267.069  3941.07    379.620  3785.53    375.794  85.175  4.1150  83.475  4.1565  1.700340       5.848876  
1 1 1 -8  60  13 o 193.736 4.0315  20397.87   845.948  19810.20   1135.16  21131.88   1268.65  190.638 5.4976  196.785 5.9522  -6.146713      8.102655  
1 1 1 -8  60  14 f 91.381  3.0006  4532.67    296.979  4649.91    426.847  4422.67    413.457  92.446  4.2630  90.162  4.2339  2.284386       6.008216  
1 1 1 -8  60  15 o 76.323  2.9670  3163.13    245.267  2905.61    340.848  3439.65    353.202  72.914  4.3355  79.386  4.1220  -6.472275      5.982290  
1 1 1 -8  60  16 o 123.101 3.1358  8234.80    418.099  8425.11    609.249  8065.40    574.816  124.285 4.5259  121.633 4.3632  2.651588       6.286627  
1 1 1 -8  60  17 o 93.583  3.0738  4760.38    311.562  4990.13    445.916  4541.24    435.499  95.644  4.3045  91.225  4.4076  4.419235       6.160848  
1 1 1 -8  60  18 o 41.999  5.7277  986.611    253.754  1039.54    345.475  924.597    373.938  42.613  7.7715  39.869  8.8864  2.743778       11.80531  
1 1 1 -8  60  19 o 23.643  7.7290  302.553    227.858  280.877    307.157  329.080    339.790  24.414  8.9194  26.001  9.3991  -1.587196      12.95758  
1 1 1 -8  60  20 o 27.363  6.7860  432.692    200.131  312.122    297.774  532.023    270.276  24.869  8.8204  30.226  8.0941  -5.357470      11.97141  
1 1 1 -8  60  21 o 39.960  6.0375  905.062    253.159  971.019    388.404  856.344    333.807  40.464  9.0849  38.177  8.3087  2.286324       12.31137  
1 1 1 -8  60  22 o ?       ?       -375.2482  33.905   217.859    277.550  -384.2332  34.161   22.227  8.4092  ?       ?       0.000000       8.409184  
1 1 1 -8  60  23 f 105.689 3.2913  6110.35    376.764  6934.33    749.794  5832.02    435.776  110.987 6.2629  103.044 3.9045  7.942955       7.380372  
1 1 1 -8  60  24 o 32.785  6.7188  630.361    230.563  312.524    477.021  727.248    263.370  27.138  10.808  35.114  7.1674  -7.976725      12.96866  
1 1 1 -8  60  25 o 57.160  4.2886  1825.09    263.572  1441.58    534.817  1948.12    302.912  47.170  10.712  58.845  4.7943  -11.67505      11.73629  
1 1 1 -8  60  26 o 67.311  2.7845  2490.04    203.003  2213.04    577.831  2529.04    216.824  58.784  9.3916  67.774  2.9537  -8.990269      9.845182  
1 1 1 -8  60  27 o 75.470  3.7216  3176.65    304.207  3767.05    627.383  2995.17    347.832  78.592  7.4597  72.723  4.4372  5.869423       8.679630  
1 1 1 -8  60  28 o 25.950  7.7095  430.929    232.506  588.203    499.706  387.472    262.670  29.212  11.228  24.717  8.3061  4.495102       13.96625  
1 1 1 -8  60  29 o 44.102  10.426  1412.40    490.195  0.0000     0.0000   1412.40    490.195  ?       ?       44.102  10.426  0.000000       10.42648  
1 1 1 -8  60  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  61  1  o 153.962 3.3311  12849.51   555.477  12713.34   787.548  12984.33   783.592  153.068 4.7503  154.695 4.6767  -1.627380      6.666136  
1 1 1 -8  61  2  o 157.129 3.2913  13383.43   560.136  14110.32   793.113  12660.05   791.195  161.271 4.5406  152.743 4.7825  8.527512       6.594583  
1 1 1 -8  61  3  o 156.297 3.2809  13242.21   555.411  13389.32   786.158  13095.61   784.784  157.088 4.6206  155.353 4.6640  1.735306       6.565275  
1 1 1 -8  61  4  o 28.456  4.8727  451.824    144.778  589.711    211.142  329.464    198.899  32.398  6.2435  24.382  7.1001  8.015356       9.454778  
1 1 1 -8  61  5  o 108.566 3.3716  6390.07    396.461  5706.91    684.122  6735.52    486.479  102.279 6.2049  111.436 4.0306  -9.157127      7.399113  
1 1 1 -8  61  6  o 10.311  1.8925  59.419     20.356   73.779     169.025  59.208     20.505   16.214  6.4412  10.290  1.9102  5.924811       6.718469  
1 1 1 -8  61  7  o 85.343  2.9176  3947.99    269.684  4253.83    380.731  3640.01    382.055  88.552  3.9696  81.787  4.3283  6.764786       5.873008  
1 1 1 -8  61  8  o 143.371 3.3125  11146.26   514.378  10877.09   707.266  11448.49   749.447  141.543 4.6134  145.201 4.7654  -3.657974      6.632719  
1 1 1 -8  61  9  o 72.973  2.9239  2887.08    231.102  2776.92    326.052  2998.29    327.610  71.399  4.2352  74.213  4.0915  -2.814606      5.888740  
1 1 1 -8  61  10 o 92.263  2.9062  4615.81    290.417  4952.79    415.055  4292.58    406.503  95.517  4.0119  88.912  4.2212  6.605347       5.823571  
1 1 1 -8  61  11 o 103.060 2.8982  5760.45    323.514  5725.48    456.403  5795.77    458.642  102.672 4.1042  103.300 4.0992  -0.6286392     5.800685  
1 1 1 -8  61  12 o 103.334 2.9519  5792.77    330.380  5668.50    468.708  5915.48    465.762  102.126 4.2374  104.337 4.1215  -2.211182      5.911197  
1 1 1 -8  61  13 o 291.650 5.2007  46360.61   1642.82  44648.57   2321.88  48076.86   2324.73  285.224 7.5160  296.108 7.2485  -10.88504      10.44180  
1 1 1 -8  61  14 o 225.342 4.2561  27639.00   1038.78  26993.79   1467.92  28286.21   1470.20  222.104 6.1020  227.410 5.9689  -5.305573      8.535990  
1 1 1 -8  61  15 o 66.951  3.3791  2442.54    244.243  2127.28    362.583  2704.42    330.469  62.148  5.4414  70.319  4.3605  -8.171360      6.972994  
1 1 1 -8  61  16 o 28.612  5.7415  464.283    171.744  395.898    239.478  536.699    246.436  26.512  7.8110  30.572  7.4991  -4.059752      10.82812  
1 1 1 -8  61  17 o 78.802  4.2339  3397.52    360.040  3377.78    499.720  3418.83    519.185  78.187  5.9455  78.611  6.1467  -0.4233398     8.551619  
1 1 1 -8  61  18 o 164.977 4.9771  14916.25   889.354  15363.08   1253.33  14463.09   1262.19  166.497 6.9501  161.400 7.2202  5.096268       10.02173  
1 1 1 -8  61  19 o 136.321 3.3171  10123.95   489.764  10613.79   704.209  9665.05    681.604  139.174 4.6717  132.785 4.7393  6.388382       6.654732  
1 1 1 -8  61  20 o 73.192  3.4826  2923.25    276.078  3503.94    412.331  2451.40    371.691  79.724  4.7975  66.524  5.2000  13.20004       7.075038  
1 1 1 -8  61  21 o 71.740  3.8558  2825.47    298.503  2777.58    451.706  2862.59    397.723  70.465  5.9748  71.835  5.1459  -1.369827      7.885345  
1 1 1 -8  61  22 o 89.387  3.9273  4383.69    380.229  4629.64    636.512  4247.24    474.119  90.626  6.5283  87.492  5.0243  3.134262       8.237887  
1 1 1 -8  61  23 o 132.885 3.3683  9665.87    484.793  9749.85    961.457  9637.24    561.382  131.184 6.7900  132.441 3.9135  -1.256470      7.837038  
1 1 1 -8  61  24 o 59.790  4.0901  1982.00    263.276  1451.14    527.438  2158.17    303.835  48.117  10.422  62.238  4.5386  -14.12096      11.36744  
1 1 1 -8  61  25 o 22.622  1.5685  279.518    38.194   281.251    38.624   202.990    256.620  22.691  1.5815  20.955  8.0481  1.735401       8.201973  
1 1 1 -8  61  26 o 55.654  4.4540  1752.88    266.236  1852.75    549.297  1722.22    304.378  53.110  9.9137  54.744  5.1957  -1.634186      11.19267  
1 1 1 -8  61  27 o 61.461  4.2262  2135.32    279.626  2578.76    575.241  1998.11    319.973  63.753  8.5457  58.913  5.0638  4.840656       9.933304  
1 1 1 -8  61  28 o 33.729  7.1307  715.054    252.352  577.143    516.628  758.270    289.200  28.924  11.333  34.203  7.9565  -5.279518      13.84687  
1 1 1 -8  61  29 o 27.918  10.693  555.726    452.202  0.0000     0.0000   555.726    452.202  ?       ?       27.918  10.693  0.000000       10.69258  
1 1 1 -8  61  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  62  1  o 150.057 3.2538  12206.41   528.838  12283.61   748.643  12129.51   747.140  150.457 4.5940  149.509 4.6139  0.9480591      6.510978  
1 1 1 -8  62  2  o 103.141 2.8511  5765.52    318.507  5505.63    450.697  6024.81    450.178  100.747 4.1303  105.398 3.9435  -4.650742      5.710582  
1 1 1 -8  62  3  o 212.785 4.2253  24562.35   973.789  23673.33   1472.72  25253.00   1298.05  208.651 6.5167  215.620 5.5582  -6.969147      8.565108  
1 1 1 -8  62  4  o 176.893 3.6038  16967.53   690.456  16519.97   976.453  17415.09   976.452  174.425 5.1686  179.101 5.0337  -4.675430      7.214699  
1 1 1 -8  62  5  o 278.415 7.0737  42195.96   2133.11  42122.06   3014.17  42270.11   3019.17  277.449 10.030  277.937 10.029  -0.4874268     14.18429  
1 1 1 -8  62  6  o 242.577 4.4622  31936.67   1172.39  31148.58   1657.95  32724.87   1658.06  239.290 6.3970  245.297 6.2408  -6.006470      8.936934  
1 1 1 -8  62  7  o 314.707 5.5654  53832.38   1897.02  54654.57   2682.72  53010.12   2682.85  316.536 7.8250  311.702 7.9467  4.833527       11.15258  
1 1 1 -8  62  8  o 37.521  3.8509  771.862    154.278  659.359    214.474  892.498    222.090  34.322  5.9872  40.191  5.2255  -5.869068      7.946870  
1 1 1 -8  62  9  o 233.861 4.3608  29699.78   1104.57  29966.24   1560.46  29432.20   1563.73  234.589 6.1415  232.475 6.2104  2.114044       8.734210  
1 1 1 -8  62  10 o 233.917 4.3545  29725.76   1103.23  29571.51   1558.08  29880.85   1562.34  232.939 6.1756  234.158 6.1602  -1.218842      8.722720  
1 1 1 -8  62  11 f 140.378 3.1929  10692.53   485.467  10665.09   685.288  10720.17   687.827  140.063 4.5173  140.423 4.5224  -0.3605957     6.392046  
1 1 1 -8  62  12 o 282.805 5.4086  43593.32   1656.71  42548.77   2185.33  45004.93   2540.44  278.687 7.2398  286.156 8.1967  -7.468567      10.93620  
1 1 1 -8  62  13 o 267.417 4.8322  38960.96   1399.60  36784.24   1976.27  41151.22   1982.41  258.967 7.0458  274.085 6.6779  -15.11758      9.707609  
1 1 1 -8  62  14 o 82.909  2.6924  3730.66    241.772  3761.06    385.774  3711.00    310.264  82.996  4.3063  82.631  3.4667  0.3647919      5.528297  
1 1 1 -8  62  15 o 74.493  3.1246  3015.19    252.106  2980.91    356.353  3049.53    356.710  73.806  4.4790  74.662  4.4309  -0.8558197     6.300357  
1 1 1 -8  62  16 o 64.248  4.3508  2261.65    300.973  2376.32    410.875  2128.86    442.121  65.566  5.8472  61.825  6.7102  3.740650       8.900329  
1 1 1 -8  62  17 o 64.491  4.4125  2281.92    306.359  2514.07    416.934  2009.48    451.660  67.409  5.7661  59.864  7.1046  7.544914       9.150021  
1 1 1 -8  62  18 f 89.402  3.2793  4351.73    317.542  4522.18    468.495  4206.87    431.882  90.741  4.7837  87.566  4.5695  3.175308       6.615449  
1 1 1 -8  62  19 o 179.710 3.7102  17625.61   722.163  17952.24   1029.66  17309.38   1013.13  180.665 5.2620  177.395 5.2729  3.269867       7.449327  
1 1 1 -8  62  20 o 105.525 3.2760  6072.97    374.431  7302.22    568.140  5129.07    497.847  115.339 4.5479  96.604  4.7581  18.73549       6.581979  
1 1 1 -8  62  21 o 24.493  7.8465  335.756    235.564  347.145    360.814  327.296    310.987  26.424  9.6650  25.261  9.0082  1.162600       13.21211  
1 1 1 -8  62  22 o 105.580 3.2284  6092.17    369.176  6083.85    589.422  6097.55    473.573  104.753 5.1950  105.314 4.1517  -0.5605850     6.650212  
1 1 1 -8  62  23 o 75.797  3.5628  3150.46    292.491  4013.85    577.584  2852.69    339.200  84.199  6.3809  71.772  4.3845  12.42662       7.742040  
1 1 1 -8  62  24 o 20.880  7.5180  223.202    217.102  -94.2825   424.326  335.783    252.680  20.609  9.2281  24.310  8.1467  -3.700829      12.30964  
1 1 1 -8  62  25 o 53.589  4.4381  1616.33    255.281  1706.07    501.141  1584.89    296.656  52.059  9.2254  52.659  5.2721  -0.5998726     10.62561  
1 1 1 -8  62  26 o 34.931  6.5898  735.877    240.179  1296.14    489.033  557.779    275.723  43.691  10.471  29.600  8.2771  14.09084       13.34725  
1 1 1 -8  62  27 o 28.837  7.5254  526.315    237.537  884.976    483.661  412.305    272.690  34.890  11.250  25.533  8.4606  9.357111       14.07647  
1 1 1 -8  62  28 o 30.745  7.4364  605.237    244.931  618.385    517.208  601.436    278.090  29.441  11.393  30.154  8.2676  -0.7125301     14.07699  
1 1 1 -8  62  29 o 26.368  10.497  463.173    449.746  0.0000     0.0000   463.173    449.746  ?       ?       26.368  10.497  0.000000       10.49672  
1 1 1 -8  63  1  o 41.490  1.6791  932.516    75.454   959.921    81.613   771.225    197.993  42.095  1.7900  37.357  5.0204  4.737377       5.329979  
1 1 1 -8  63  2  o 218.753 4.3738  25965.37   1036.30  26333.78   1571.40  25681.83   1378.56  220.028 6.5938  217.389 5.8549  2.639404       8.818062  
1 1 1 -8  63  3  o 170.538 3.5391  15770.47   653.700  15514.79   924.291  16026.36   924.652  169.036 5.0485  171.807 4.9690  -2.771332      7.083622  
1 1 1 -8  63  4  o 53.071  1.8538  1525.86    106.557  911.094    332.210  1596.36    112.501  40.194  7.9127  54.283  1.9135  -14.08866      8.140771  
1 1 1 -8  63  5  o 59.531  4.3360  1933.42    277.652  1830.17    377.978  2054.42    409.195  57.688  6.1439  61.141  6.2677  -3.452309      8.776779  
1 1 1 -8  63  6  o 181.389 3.6484  17846.59   716.782  18004.31   1012.58  17688.18   1014.79  182.046 5.1354  180.434 5.1926  1.611725       7.303158  
1 1 1 -8  63  7  o 340.707 5.8892  63147.86   2173.25  61299.68   3073.18  64996.67   3073.69  334.880 8.4728  344.922 8.2275  -10.04163      11.81019  
1 1 1 -8  63  8  o 170.450 3.5174  15761.70   649.368  15801.27   917.369  15721.96   919.323  170.513 4.9672  170.082 4.9905  0.4312592      7.041176  
1 1 1 -8  63  9  f 86.109  2.9000  4020.92    270.470  3945.58    388.100  4092.06    377.140  85.234  4.2040  86.813  4.0109  -1.578857      5.810410  
1 1 1 -8  63  10 o 223.615 4.2194  27167.65   1021.94  27350.94   1444.78  26984.12   1445.70  224.008 5.9548  222.490 5.9993  1.517960       8.452856  
1 1 1 -8  63  11 o 180.253 3.8550  17650.31   752.622  17478.54   1013.10  17861.87   1124.30  179.142 5.2214  180.990 5.7353  -1.847778      7.756082  
1 1 1 -8  63  12 o 95.808  2.8859  4981.03    299.473  5238.93    423.096  4722.11    423.941  98.168  3.9792  93.179  4.2006  4.988152       5.786175  
1 1 1 -8  63  13 o 208.495 4.0270  23648.76   909.390  23496.31   1292.44  23798.24   1279.79  207.332 5.7554  208.691 5.6619  -1.358932      8.073564  
1 1 1 -8  63  14 o 144.117 3.3601  11288.32   524.487  11549.78   751.037  11039.43   732.774  145.512 4.7653  142.263 4.7556  3.249146       6.732326  
1 1 1 -8  63  15 o 65.677  4.2971  2361.28    303.990  2651.82    416.003  2028.36    445.303  69.374  5.5837  60.305  6.9445  9.068649       8.910872  
1 1 1 -8  63  16 o 113.624 4.2363  7042.31    521.351  6931.77    728.034  7158.67    746.933  112.166 6.0146  113.973 6.0726  -1.806946      8.547043  
1 1 1 -8  63  17 f 15.307  6.2761  45.852     166.195  141.372    237.424  -45.9185   232.718  19.817  7.7052  16.052  7.0264  3.764713       10.42791  
1 1 1 -8  63  18 o 77.347  3.2918  3258.11    275.772  3240.06    396.642  3275.01    383.683  76.748  4.7956  77.207  4.6092  -0.4594269     6.651544  
1 1 1 -8  63  19 o 64.227  3.6036  2258.19    249.669  2101.36    362.400  2399.86    344.453  61.508  5.4978  65.935  4.8575  -4.427174      7.336293  
1 1 1 -8  63  20 o 117.439 3.2807  7524.80    417.299  8360.28    653.978  6950.98    541.977  123.227 4.8999  112.524 4.4470  10.70271       6.616979  
1 1 1 -8  63  21 o 138.690 3.5019  10517.89   526.042  11102.97   768.670  10002.49   721.445  141.786 5.0054  134.606 4.9484  7.180313       7.038514  
1 1 1 -8  63  22 o 73.574  3.9436  2980.69    313.117  3233.47    472.798  2783.20    417.897  75.931  5.7926  70.532  5.5142  5.398682       7.997541  
1 1 1 -8  63  23 o 106.056 3.2950  6160.81    378.497  6113.67    750.045  6176.92    438.414  103.633 6.7184  105.989 3.8190  -2.355881      7.727967  
1 1 1 -8  63  24 o 19.394  7.5519  155.126    228.330  260.112    428.849  113.590    269.742  25.223  10.178  19.563  8.0054  5.660191       12.94867  
1 1 1 -8  63  25 o 52.206  4.5572  1541.49    255.105  1330.35    503.799  1614.29    295.836  44.562  10.594  53.095  5.2115  -8.533131      11.80619  
1 1 1 -8  63  26 o 61.043  4.1285  2096.53    271.355  1498.55    535.157  2303.49    314.829  46.702  10.796  63.718  4.5926  -17.01612      11.73209  
1 1 1 -8  63  27 o 23.637  7.7945  345.344    231.549  -31.8430   459.726  473.553    268.029  20.978  9.4809  27.083  8.3278  -6.104799      12.61899  
1 1 1 -8  63  28 o 15.126  6.7816  -44.3812   229.938  352.905    472.579  -167.6083  263.194  25.297  10.498  14.583  6.7994  10.71363       12.50763  
1 1 1 -8  63  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  64  1  o 199.241 3.9203  21534.22   845.996  22131.95   1197.31  20938.28   1195.53  201.825 5.4772  196.290 5.6233  5.535461       7.849944  
1 1 1 -8  64  2  o 375.385 6.4710  76666.17   2630.98  78265.16   3722.35  75069.90   3719.18  378.433 9.0815  370.559 9.2666  7.874542       12.97472  
1 1 1 -8  64  3  o 73.783  2.7756  2950.75    221.811  2733.26    314.952  3164.77    312.440  70.855  4.1218  76.384  3.7766  -5.528381      5.590290  
1 1 1 -8  64  4  o 210.781 4.6379  24121.35   1058.83  23991.66   1836.08  24185.96   1296.04  209.675 8.0849  210.932 5.6729  -1.256119      9.876622  
1 1 1 -8  64  5  o 189.244 4.3424  19440.02   890.068  19797.56   1089.19  18721.34   1544.23  190.871 5.2686  185.251 7.6963  5.620193       9.326907  
1 1 1 -8  64  6  o 144.165 3.2231  11270.90   503.281  11376.69   710.340  11164.27   713.161  144.744 4.5310  143.381 4.5923  1.362946       6.451283  
1 1 1 -8  64  7  o 229.077 4.2852  28493.95   1063.22  27273.45   1503.66  29714.33   1503.58  223.794 6.2034  233.647 5.9415  -9.853119      8.589756  
1 1 1 -8  64  8  o 123.207 3.0251  8232.73    403.692  8562.61    573.596  7908.96    568.254  125.564 4.2176  120.666 4.3480  4.898491       6.057522  
1 1 1 -8  64  9  o 80.486  2.6153  3512.48    227.992  3518.86    364.097  3508.36    292.419  80.374  4.1970  80.407  3.3577  -0.3373718E-01 5.374859  
1 1 1 -8  64  10 o 56.866  2.1954  1752.96    135.222  1645.34    278.270  1786.23    154.718  54.795  4.7353  57.396  2.4888  -2.600819      5.349486  
1 1 1 -8  64  11 o 110.411 2.9668  6615.28    354.793  6522.27    505.079  6705.88    498.491  109.514 4.2581  111.057 4.1442  -1.543091      5.941884  
1 1 1 -8  64  12 o 64.036  3.1153  2226.44    216.074  2152.40    319.510  2288.83    293.316  62.681  4.7414  64.724  4.2069  -2.043083      6.338645  
1 1 1 -8  64  13 o 115.929 3.0746  7298.89    386.061  7136.18    543.205  7464.96    548.785  114.463 4.3816  117.078 4.3277  -2.615334      6.158490  
1 1 1 -8  64  14 o 98.483  4.0985  5282.27    437.172  5082.04    609.064  5495.06    627.874  96.138  5.8774  99.996  5.8224  -3.857475      8.273152  
1 1 1 -8  64  15 o 85.706  4.0737  4002.67    378.155  3649.45    522.858  4390.09    547.581  81.339  5.9768  89.323  5.6896  -7.983917      8.251911  
1 1 1 -8  64  16 o 79.652  3.5606  3454.48    307.181  3304.12    380.860  3734.34    519.614  77.638  4.5490  82.237  5.8723  -4.598366      7.428182  
1 1 1 -8  64  17 o 131.947 3.3049  9478.17    472.313  9361.13    683.643  9585.05    653.293  130.742 4.8277  132.377 4.5564  -1.634903      6.638390  
1 1 1 -8  64  18 o 131.275 3.2800  9387.05    466.364  9532.76    666.394  9247.18    652.890  131.900 4.6646  129.917 4.6398  1.982758       6.579263  
1 1 1 -8  64  19 o 12.574  5.7588  -118.2773  176.819  -149.3524  248.452  -86.3844   251.700  15.058  6.8696  16.050  7.1526  -0.9919415     9.917276  
1 1 1 -8  64  20 o 67.811  4.1270  2529.76    301.675  2064.16    476.389  2841.47    389.788  60.135  7.4754  71.610  5.0581  -11.47435      9.025857  
1 1 1 -8  64  21 o 101.439 3.4725  5628.15    381.515  5647.19    569.039  5612.60    514.205  100.855 5.2272  100.882 4.7060  -0.2690887E-01 7.033500  
1 1 1 -8  64  22 o 74.540  3.9166  3059.46    315.101  3175.99    477.090  2969.29    419.655  75.175  5.9070  72.913  5.3513  2.262192       7.970518  
1 1 1 -8  64  23 o 87.575  3.3888  4206.58    321.441  4695.37    639.651  4041.44    371.796  90.766  6.5506  85.623  4.0091  5.142746       7.680001  
1 1 1 -8  64  24 o 91.665  3.3864  4627.33    336.208  4525.18    667.959  4661.99    389.089  88.008  7.0670  91.752  3.9153  -3.744095      8.079146  
1 1 1 -8  64  25 o 47.041  4.9583  1265.46    248.819  1518.63    494.160  1179.47    287.990  48.248  9.7909  44.810  6.0917  3.437958       11.53128  
1 1 1 -8  64  26 o 22.532  7.7416  299.607    228.284  348.066    454.713  283.278    263.959  25.885  10.467  22.491  8.2606  3.393589       13.33438  
1 1 1 -8  64  27 o 35.721  2.1689  701.346    83.518   532.213    483.426  706.549    84.793   28.403  11.008  35.847  2.1945  -7.443970      11.22502  
1 1 1 -8  64  28 o 27.770  8.4557  515.365    277.168  0.0000     0.0000   515.365    277.168  ?       ?       27.770  8.4557  0.000000       8.455680  
1 1 1 -8  64  29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  65  1  o 361.125 6.3234  70965.25   2473.29  67876.65   3498.07  74052.79   3497.46  352.247 9.1688  368.080 8.7729  -15.83301      12.68973  
1 1 1 -8  65  2  o 372.600 6.4104  75561.04   2587.00  76033.63   3659.32  75088.84   3657.80  372.837 9.0617  370.492 9.1153  2.345428       12.85318  
1 1 1 -8  65  3  o 388.628 6.7393  82255.31   2836.74  80738.98   4012.31  83770.80   4011.19  383.895 9.6497  391.119 9.4688  -7.224854      13.51940  
1 1 1 -8  65  4  o 146.818 4.5951  11705.36   730.710  10821.86   1028.40  12606.18   1038.43  140.948 6.7365  152.180 6.3001  -11.23239      9.223446  
1 1 1 -8  65  5  o 188.926 3.7347  19366.52   764.209  18802.70   1079.15  19933.71   1082.37  185.968 5.3576  191.499 5.2184  -5.530701      7.479041  
1 1 1 -8  65  6  o 94.874  2.8810  4880.51    296.050  4664.09    416.337  5101.86    421.060  92.686  4.1473  96.946  4.0100  -4.260185      5.768861  
1 1 1 -8  65  7  o 82.614  2.8548  3700.98    255.444  3441.47    362.796  3956.11    359.728  79.491  4.2290  85.366  3.8906  -5.875107      5.746418  
1 1 1 -8  65  8  f 158.465 3.3830  13626.43   580.634  13192.99   820.237  14061.78   822.047  155.757 4.8621  160.823 4.7193  -5.066086      6.775819  
1 1 1 -8  65  9  o 190.475 3.8679  19705.53   797.967  20421.73   1072.82  18818.60   1193.86  193.694 5.1137  185.772 5.9334  7.921982       7.832969  
1 1 1 -8  65  10 f 130.411 3.1459  9230.43    444.353  9318.58    623.928  9139.71    632.989  130.895 4.4009  129.618 4.5088  1.276154       6.300571  
1 1 1 -8  65  11 o 38.306  3.9991  806.422    163.472  569.255    238.238  1017.44    224.722  31.607  7.1291  42.938  4.9209  -11.33156      8.662483  
1 1 1 -8  65  12 o 60.658  3.2170  2004.08    210.602  1949.52    289.311  2065.57    307.162  59.659  4.5107  61.396  4.6537  -1.737709      6.480973  
1 1 1 -8  65  13 o 59.878  4.3532  1963.55    280.390  1752.14    385.711  2200.47    408.318  56.152  6.4597  63.096  6.0490  -6.944027      8.849715  
1 1 1 -8  65  14 o 16.801  7.0029  35.188     211.607  -44.6828   308.243  106.379    291.013  18.704  8.1390  20.668  8.3683  -1.964243      11.67358  
1 1 1 -8  65  15 o 84.293  4.0941  3873.46    373.781  3770.68    517.488  3985.57    540.474  82.695  5.8147  85.005  5.9070  -2.310539      8.288688  
1 1 1 -8  65  16 o 93.631  3.1574  4769.16    320.198  5354.98    473.217  4274.44    434.867  99.003  4.4131  88.312  4.5620  10.69147       6.347173  
1 1 1 -8  65  17 o 141.264 3.3559  10868.02   513.464  11083.02   734.297  10662.31   718.264  142.249 4.7660  139.527 4.7529  2.721664       6.730859  
1 1 1 -8  65  18 o 115.290 3.1771  7239.82    396.731  6725.40    576.416  7702.86    546.874  110.710 4.8071  118.650 4.2555  -7.940033      6.420058  
1 1 1 -8  65  19 o 104.371 3.3066  5941.71    373.796  6086.43    555.608  5822.03    505.230  105.194 4.8765  102.992 4.5291  2.201134       6.655319  
1 1 1 -8  65  20 o 98.958  3.4967  5351.72    374.786  6004.97    566.349  4842.76    499.903  104.327 5.0121  93.588  4.9493  10.73941       7.043879  
1 1 1 -8  65  21 o 66.896  4.2793  2470.98    308.438  2615.40    508.282  2386.80    388.052  67.762  7.0277  65.321  5.5370  2.440155       8.946864  
1 1 1 -8  65  22 o 53.495  2.7025  1564.60    156.080  1950.41    423.671  1504.02    167.888  58.369  6.8307  52.394  2.9707  5.974861       7.448728  
1 1 1 -8  65  23 o 31.500  6.7971  586.299    225.094  711.774    446.475  543.537    260.643  33.756  10.801  30.026  7.9057  3.729715       13.38523  
1 1 1 -8  65  24 o 56.707  4.2427  1800.88    258.694  1815.14    516.915  1796.11    298.806  53.890  9.1855  56.301  4.9504  -2.410885      10.43452  
1 1 1 -8  65  25 o 75.025  3.4822  3118.62    282.965  3004.97    502.040  3171.53    342.561  71.390  6.5663  75.154  4.2256  -3.763031      7.808472  
1 1 1 -8  65  26 o 33.043  6.8399  669.487    236.727  772.500    475.607  635.562    272.939  33.021  11.176  31.573  7.9781  1.448198       13.73176  
1 1 1 -8  65  27 o 39.416  5.9910  930.644    247.710  862.927    495.460  953.212    286.023  33.963  11.408  39.258  6.9826  -5.294689      13.37502  
1 1 1 -8  65  28 o 21.606  9.0382  200.582    354.273  0.0000     0.0000   200.582    354.273  ?       ?       21.606  9.0382  0.000000       9.038177  
1 1 1 -8  66  1  o 187.048 3.6479  18980.94   739.038  18559.02   1045.25  19402.70   1045.06  184.786 5.2225  188.955 5.1064  -4.168503      7.304128  
1 1 1 -8  66  2  o 178.591 3.5802  17302.45   692.530  17538.91   979.807  17066.39   978.964  179.655 5.0354  177.211 5.1004  2.444473       7.167223  
1 1 1 -8  66  3  o 259.502 5.4619  36619.57   1535.18  35007.86   2661.63  37423.05   1879.28  252.601 9.7284  262.081 6.6204  -9.480148      11.76743  
1 1 1 -8  66  4  o 110.968 4.1646  6685.31    500.547  6468.43    702.395  6909.11    713.496  108.847 5.9809  112.520 5.8749  -3.672920      8.383661  
1 1 1 -8  66  5  o 109.965 2.8892  6557.03    344.110  6107.77    495.592  6975.25    478.166  106.048 4.3147  113.359 3.8945  -7.310875      5.812391  
1 1 1 -8  66  6  o 139.172 3.1754  10506.58   478.648  10244.63   678.593  10765.95   675.241  137.305 4.5630  140.770 4.4287  -3.464081      6.358832  
1 1 1 -8  66  7  o 44.897  3.4538  1100.37    166.664  1163.58    239.232  1040.75    232.316  46.002  4.8758  43.455  5.0289  2.546852       7.004543  
1 1 1 -8  66  8  o 48.091  3.2653  1260.85    169.075  1139.17    236.334  1388.42    241.984  45.503  4.8709  50.338  4.4853  -4.834965      6.621484  
1 1 1 -8  66  9  o 146.637 3.4036  11674.09   540.567  11271.92   741.488  12130.32   789.746  143.917 4.7569  149.277 4.8846  -5.359497      6.818109  
1 1 1 -8  66  10 o 199.995 3.9080  21741.38   846.536  20819.96   1196.64  22664.48   1197.73  195.316 5.6566  203.848 5.4248  -8.531433      7.837422  
1 1 1 -8  66  11 o 178.340 3.6621  17287.49   707.367  17397.25   999.568  17177.38   1001.17  178.581 5.1678  177.438 5.2094  1.142517       7.337890  
1 1 1 -8  66  12 o 85.401  4.0445  3969.44    374.112  3841.97    522.636  4103.39    535.756  83.604  5.8077  86.426  5.7563  -2.821358      8.177092  
1 1 1 -8  66  13 o 131.127 4.4549  9373.89    632.703  9101.30    898.198  9642.38    891.396  128.577 6.4704  132.577 6.2077  -3.999542      8.966693  
1 1 1 -8  66  14 o 98.712  4.1066  5310.01    439.056  5261.23    612.885  5361.43    629.277  97.787  5.8128  98.690  5.9143  -0.9029922     8.292680  
1 1 1 -8  66  15 o 56.566  3.6009  1749.19    219.467  1593.77    319.103  1888.70    302.324  53.622  5.5759  58.580  4.8072  -4.958714      7.362110  
1 1 1 -8  66  16 o 197.748 3.9014  21328.51   835.610  21385.79   1195.66  21273.81   1168.28  197.274 5.5959  196.815 5.4805  0.4588928      7.832588  
1 1 1 -8  66  17 o 94.137  3.1508  4824.10    321.258  4796.66    460.704  4850.08    448.209  93.608  4.5440  94.160  4.3948  -0.5523911     6.321618  
1 1 1 -8  66  18 o 30.793  5.9821  541.497    192.328  534.892    267.714  548.542    276.483  30.305  8.0282  30.674  8.1742  -0.3695564     11.45726  
1 1 1 -8  66  19 o 49.863  4.1371  1371.36    221.413  1431.96    315.486  1312.55    310.818  50.508  5.8768  48.269  6.0801  2.239063       8.456008  
1 1 1 -8  66  20 o 46.850  5.1042  1226.34    254.816  962.570    378.405  1445.19    344.680  40.219  8.9204  50.472  6.4528  -10.25364      11.00966  
1 1 1 -8  66  21 o 29.005  7.6018  495.809    241.711  507.461    369.508  487.095    319.566  29.716  9.8487  28.930  9.1255  0.7863083      13.42652  
1 1 1 -8  66  22 o 72.140  3.9375  2871.47    306.499  2655.30    467.427  3034.52    405.954  68.339  6.3892  73.705  5.1170  -5.365402      8.185625  
1 1 1 -8  66  23 o 69.345  3.7132  2658.77    277.877  2315.95    549.893  2776.34    322.017  62.174  8.3792  70.653  4.2274  -8.479084      9.385220  
1 1 1 -8  66  24 o 28.224  7.2991  488.095    224.793  423.089    448.849  509.859    259.710  27.528  10.625  28.630  8.0429  -1.102104      13.32562  
1 1 1 -8  66  25 o 19.639  7.4992  185.536    222.014  -370.0793  445.520  369.094    256.075  17.996  8.5308  24.649  8.2002  -6.652996      11.83296  
1 1 1 -8  66  26 o 30.482  7.2629  580.608    236.375  792.938    476.674  511.370    272.200  33.320  11.189  28.178  8.3349  5.142141       13.95244  
1 1 1 -8  66  27 o 30.281  7.3978  584.153    240.554  545.356    486.982  596.675    276.665  28.427  11.040  30.131  8.2402  -1.704199      13.77626  
1 1 1 -8  66  28 o 18.633  8.7688  -236.7346  455.140  0.0000     0.0000   -236.7346  455.140  ?       ?       18.633  8.7688  0.000000       8.768848  
1 1 1 -8  67  1  o 99.327  2.8268  5349.31    304.117  5405.52    426.437  5291.14    433.832  99.791  3.9454  98.724  4.0572  1.067986       5.659276  
1 1 1 -8  67  2  o 130.915 3.0875  9294.83    437.785  8897.61    632.115  9660.98    606.899  127.978 4.5603  133.387 4.2008  -5.408638      6.200243  
1 1 1 -8  67  3  o 254.164 5.4429  35144.75   1498.37  34507.33   2599.60  35461.87   1833.58  250.651 9.5756  255.024 6.6382  -4.373627      11.65153  
1 1 1 -8  67  4  o 153.974 3.8475  12869.72   641.643  12895.12   784.187  12818.28   1116.10  154.035 4.7003  153.292 6.7223  0.7437897      8.202559  
1 1 1 -8  67  5  o 171.398 3.5352  15943.15   656.284  16331.13   926.409  15552.28   929.853  173.297 4.9356  169.094 5.0771  4.203094       7.080755  
1 1 1 -8  67  6  o 98.267  2.8526  5237.08    303.610  5091.52    424.162  5390.00    434.773  96.820  4.0448  99.619  4.0295  -2.798607      5.709407  
1 1 1 -8  67  7  o 75.551  2.8649  3096.17    234.435  2681.84    334.319  3497.00    328.830  70.099  4.4260  80.245  3.7834  -10.14626      5.822712  
1 1 1 -8  67  8  o 158.995 3.4023  13724.30   585.907  13685.13   827.747  13763.63   829.453  158.569 4.8196  159.023 4.8157  -0.4547577     6.813178  
1 1 1 -8  67  9  o 14.291  5.7139  54.531     133.827  -71.5186   198.703  159.175    181.046  14.373  6.3832  18.839  6.8531  -4.466000      9.365340  
1 1 1 -8  67  10 o 217.334 4.1237  25695.53   970.695  24921.77   1373.01  26468.77   1372.53  213.521 5.9369  220.109 5.7572  -6.588348      8.269999  
1 1 1 -8  67  11 o 29.471  6.2772  493.527    194.233  408.371    337.297  535.774    237.578  27.941  9.4122  30.615  7.2725  -2.674360      11.89451  
1 1 1 -8  67  12 o 120.450 4.3196  7904.46    563.529  8314.70    803.948  7508.20    790.134  123.187 6.0255  116.844 6.2663  6.342796       8.693298  
1 1 1 -8  67  13 o 98.994  4.0962  5338.46    439.199  5118.16    614.345  5568.76    628.126  96.450  5.9093  100.653 5.7860  -4.202667      8.270342  
1 1 1 -8  67  14 o 81.323  3.0437  3594.59    268.093  3726.68    378.845  3462.08    379.436  82.554  4.2514  79.529  4.4224  3.024620       6.134501  
1 1 1 -8  67  15 o 151.627 3.3912  12514.61   556.928  12248.57   791.372  12775.66   783.910  149.597 4.8841  152.831 4.7357  -3.233078      6.803065  
1 1 1 -8  67  16 o 100.758 3.1782  5525.15    346.846  5354.80    507.992  5673.92    474.724  98.895  4.7426  101.897 4.3014  -3.002716      6.402651  
1 1 1 -8  67  17 o 92.970  3.2257  4707.83    324.811  4562.34    474.892  4835.73    445.245  91.074  4.8315  93.998  4.3733  -2.923782      6.516855  
1 1 1 -8  67  18 o 46.793  4.2803  1209.12    214.530  1317.71    302.667  1099.47    304.121  48.469  5.8863  44.017  6.5811  4.451527       8.829410  
1 1 1 -8  67  19 o 41.797  5.1253  977.375    227.165  988.354    351.112  969.470    297.922  41.108  8.1737  41.101  6.9394  0.6755829E-02  10.72215  
1 1 1 -8  67  20 o 77.464  3.6806  3285.68    308.804  3568.02    455.721  3045.97    419.903  80.098  5.2827  73.985  5.2746  6.113235       7.465105  
1 1 1 -8  67  21 o 66.474  4.0786  2437.59    292.232  2775.05    442.620  2176.80    389.092  70.278  5.8685  62.200  5.8440  8.078094       8.282050  
1 1 1 -8  67  22 o 47.863  5.3006  1292.89    270.175  995.324    425.405  1494.05    349.772  40.056  9.8694  51.014  6.4762  -10.95798      11.80448  
1 1 1 -8  67  23 o 46.416  5.8393  1239.99    287.064  1147.30    480.238  1291.52    358.078  42.027  10.562  46.632  7.3315  -4.605263      12.85756  
1 1 1 -8  67  24 o 16.845  7.0490  61.552     215.604  -20.8523   434.234  88.514     248.384  21.108  9.4016  18.283  7.6010  2.825262       12.08988  
1 1 1 -8  67  25 o 43.802  5.2544  1109.15    244.303  1048.83    491.015  1129.00    281.637  38.646  11.128  43.727  6.1138  -5.081318      12.69649  
1 1 1 -8  67  26 o 49.697  1.5866  1345.25    85.402   883.201    504.529  1358.88    86.653   34.650  11.509  49.945  1.6018  -15.29545      11.62040  
1 1 1 -8  67  27 o 17.065  7.2102  70.993     229.076  -117.8470  464.865  131.555    263.258  20.007  9.2266  18.995  7.8552  1.011808       12.11749  
1 1 1 -8  67  28 o 23.418  10.152  212.654    476.039  0.0000     0.0000   212.654    476.039  ?       ?       23.418  10.152  0.000000       10.15233  
1 1 1 -8  68  1  f 232.363 4.2532  29327.76   1070.41  29567.45   1513.61  29087.96   1513.97  232.966 5.9986  231.058 6.0496  1.908401       8.519441  
1 1 1 -8  68  2  o 196.022 3.8097  20859.56   808.851  20963.35   1144.38  20755.94   1143.40  196.271 5.3832  195.294 5.4055  0.9773102      7.628813  
1 1 1 -8  68  3  o 92.444  4.0353  4640.98    404.040  4367.33    567.815  4921.65    575.053  89.344  5.9010  94.911  5.6190  -5.566444      8.148284  
1 1 1 -8  68  4  o 88.858  2.5821  4281.06    248.512  4148.57    337.641  4437.67    367.102  87.426  3.5657  90.410  3.7489  -2.984154      5.173799  
1 1 1 -8  68  5  f 164.861 3.4576  14751.91   617.396  14200.45   873.313  15302.90   872.947  161.555 4.9909  167.737 4.8049  -6.182404      6.927970  
1 1 1 -8  68  6  o 71.966  2.8614  2809.33    223.032  2643.24    318.981  2968.21    311.966  69.608  4.2513  73.817  3.9160  -4.208420      5.779994  
1 1 1 -8  68  7  o 76.243  2.8145  3153.48    232.423  3030.73    326.916  3278.93    330.504  74.565  4.0632  77.581  3.9463  -3.015602      5.664173  
1 1 1 -8  68  8  o 141.482 3.2081  10866.68   491.612  10795.09   696.938  10937.57   693.562  140.839 4.5688  141.773 4.5167  -0.9342804     6.424511  
1 1 1 -8  68  9  f 121.974 3.0651  8076.80    404.928  8220.42    572.485  7933.01    572.824  122.908 4.3004  120.729 4.3807  2.178658       6.138727  
1 1 1 -8  68  10 o 96.406  2.9523  5045.78    308.268  4709.85    438.963  5372.67    433.013  93.006  4.3576  99.374  4.0230  -6.368500      5.930729  
1 1 1 -8  68  11 o 110.307 4.1573  6624.99    496.690  6549.10    700.296  6701.81    704.575  109.211 5.9427  110.490 5.9090  -1.278374      8.380421  
1 1 1 -8  68  12 o 149.295 4.6625  12159.40   753.939  11979.54   1063.76  12340.95   1068.72  147.629 6.6528  149.862 6.5842  -2.233032      9.360044  
1 1 1 -8  68  13 o 83.845  3.1096  3820.91    282.391  3825.29    408.912  3816.91    390.449  83.604  4.5327  83.551  4.3295  0.5359650E-01  6.268159  
1 1 1 -8  68  14 o 82.574  2.7271  3704.15    243.904  3513.32    398.825  3818.16    308.270  80.056  4.6192  83.763  3.3979  -3.706909      5.734311  
1 1 1 -8  68  15 o 119.064 3.2160  7713.85    414.732  7342.12    604.376  8044.68    570.158  115.818 4.8179  121.355 4.3378  -5.536507      6.482969  
1 1 1 -8  68  16 o 160.914 3.4844  14109.65   607.285  14785.04   871.074  13470.94   847.091  164.226 4.8971  156.721 4.9904  7.504578       6.991827  
1 1 1 -8  68  17 f 69.143  3.3952  2606.47    254.265  2660.98    366.403  2555.84    353.135  69.446  4.9027  68.075  4.8206  1.371506       6.875695  
1 1 1 -8  68  18 o 71.623  3.5715  2801.63    277.058  2557.31    416.089  2996.25    371.354  67.759  5.7231  73.707  4.6759  -5.947678      7.390420  
1 1 1 -8  68  19 o 76.927  3.5697  3235.41    297.430  3444.75    458.568  3083.39    390.778  78.721  5.4111  74.648  4.8598  4.073616       7.273091  
1 1 1 -8  68  20 o 67.814  4.0422  2533.14    295.551  2788.16    446.897  2334.89    394.023  70.504  5.9067  64.561  5.6931  5.943161       8.203706  
1 1 1 -8  68  21 o 18.069  7.4597  71.504     236.840  104.445    367.823  48.174     309.549  22.087  9.2218  19.748  8.3646  2.339661       12.45023  
1 1 1 -8  68  22 o 16.275  7.1068  -22.5917   236.809  24.233     363.766  -57.0305   311.968  20.622  8.9076  18.123  8.0258  2.499397       11.98991  
1 1 1 -8  68  23 o 26.852  8.3150  439.757    266.676  268.941    443.641  536.396    333.692  25.294  10.299  29.327  9.3329  -4.033255      13.89845  
1 1 1 -8  68  24 o 36.990  6.3283  812.434    244.423  1265.33    471.107  645.621    285.914  43.736  10.142  32.022  8.2061  11.71362       13.04627  
1 1 1 -8  68  25 o 35.325  6.4179  750.524    236.511  948.158    475.920  685.708    272.549  36.641  11.063  33.024  7.7526  3.616810       13.50900  
1 1 1 -8  68  26 o 27.749  7.5773  489.775    234.147  748.846    474.935  406.586    269.127  32.231  11.161  25.320  8.4058  6.911039       13.97233  
1 1 1 -8  68  27 o 75.258  3.7920  3191.23    308.098  3059.30    619.102  3234.66    355.207  68.629  8.5115  75.289  4.3748  -6.659912      9.569975  
1 1 1 -8  68  28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -8  69  1  o 64.995  2.8507  2291.14    200.683  2340.35    275.570  2235.56    292.834  65.532  3.9001  64.005  4.2483  1.527458       5.767042  
1 1 1 -8  69  2  o 9.3249  4.4770  -192.4274  131.122  -325.4928  239.017  -135.1414  156.827  12.813  6.1228  11.461  5.3113  1.351984       8.105487  
1 1 1 -8  69  3  o 60.180  3.4398  1972.11    223.278  2142.31    272.187  1621.96    390.403  62.670  4.0313  54.072  6.8176  8.597939       7.920270  
1 1 1 -8  69  4  o 67.479  2.8674  2469.95    209.570  2487.06    296.726  2452.91    296.028  67.535  4.0757  67.066  4.0949  0.4691849      5.777504  
1 1 1 -8  69  5  o 34.274  3.5086  644.420    128.411  683.018    168.420  590.830    198.454  35.152  4.5289  32.424  5.8669  2.727428       7.411578  
1 1 1 -8  69  6  o 137.458 3.1568  10255.17   469.983  9920.30    680.419  10560.70   649.940  135.020 4.6527  139.358 4.3060  -4.337799      6.339488  
1 1 1 -8  69  7  o 43.548  3.4998  1036.61    163.678  768.279    235.703  1286.52    227.469  37.029  6.0887  48.434  4.3837  -11.40483      7.502583  
1 1 1 -8  69  8  o 87.031  2.9414  4111.14    277.266  3891.66    388.417  4339.19    395.919  84.466  4.2594  89.318  4.0926  -4.852303      5.906886  
1 1 1 -8  69  9  o 98.520  2.9691  5269.40    316.821  5141.61    452.328  5392.47    443.895  97.187  4.2971  99.551  4.1169  -2.363716      5.950935  
1 1 1 -8  69  10 o 103.509 4.0883  5831.76    458.337  5925.40    648.193  5738.12    648.181  103.917 5.7819  102.235 5.8784  1.682816       8.245346  
1 1 1 -8  69  11 f 102.258 4.1807  5695.34    463.040  5614.87    665.162  5771.00    644.980  101.029 6.1074  102.498 5.8339  -1.468918      8.446041  
1 1 1 -8  69  12 o 92.752  2.8247  4672.28    283.773  4246.49    439.467  4976.78    371.639  88.097  4.6218  95.644  3.5875  -7.546989      5.850791  
1 1 1 -8  69  13 o 127.594 3.1094  8850.43    429.717  8585.08    603.064  9124.12    612.468  125.417 4.4395  129.310 4.3730  -3.892410      6.231584  
1 1 1 -8  69  14 o 42.959  4.1640  1016.30    191.316  911.544    272.347  1118.35    268.812  40.177  6.4789  44.786  5.6685  -4.609097      8.608617  
1 1 1 -8  69  15 o 91.989  2.8424  4600.47    283.196  4391.90    439.309  4748.77    370.439  89.497  4.5470  93.340  3.6642  -3.842896      5.839626  
1 1 1 -8  69  16 o 61.074  2.4247  2026.43    160.390  1683.44    375.105  2103.17    177.427  54.790  6.4441  62.201  2.6336  -7.411877      6.961509  
1 1 1 -8  69  17 o 37.071  5.0060  768.669    195.861  817.656    282.296  723.200    271.970  37.690  7.1774  35.354  7.3425  2.335270       10.26781  
1 1 1 -8  69  18 o 48.440  4.2219  1295.71    219.291  1367.88    309.722  1223.16    310.527  49.340  5.9135  46.496  6.3308  2.843929       8.663021  
1 1 1 -8  69  19 o 58.148  2.5904  1840.74    163.146  2042.65    387.359  1797.20    179.878  60.293  6.0119  57.345  2.9056  2.947334       6.677193  
1 1 1 -8  69  20 o 39.354  6.2656  885.987    258.111  237.789    400.322  1347.18    337.672  24.999  9.9185  48.589  6.5861  -23.59015      11.90597  
1 1 1 -8  69  21 o 34.203  1.4394  634.885    53.325   803.827    380.572  631.501    53.856   36.205  9.5628  34.111  1.4577  2.093796       9.673225  
1 1 1 -8  69  22 o 104.776 3.5121  6041.94    398.564  6064.27    596.555  6023.92    535.657  103.775 5.3254  103.927 4.7587  -0.1511688     7.141792  
1 1 1 -8  69  23 o 86.187  4.0093  4132.04    374.264  3953.61    635.899  4226.60    462.937  81.639  7.2675  86.435  4.9658  -4.796402      8.802049  
1 1 1 -8  69  24 o 14.828  6.5991  -46.4211   213.474  -229.7931  431.284  13.083     245.681  18.886  8.7717  16.845  7.2982  2.040892       11.41080  
1 1 1 -8  69  25 o 51.970  4.5988  1538.36    256.191  2200.16    515.066  1320.81    295.312  59.293  8.2433  47.401  5.8782  11.89197       10.12453  
1 1 1 -8  69  26 o 24.133  7.7702  365.290    230.788  145.880    464.632  437.153    265.910  22.916  9.9822  26.058  8.3354  -3.141670      13.00468  
1 1 1 -8  69  27 o 15.390  7.1051  -133.6468  276.748  -425.0955  462.149  29.297     345.557  17.476  8.3943  19.138  8.4625  -1.662107      11.91966  
1 1 1 -8  70  1  o 194.015 4.0245  20452.68   845.692  20176.76   1270.76  20672.03   1133.04  192.289 6.1015  194.801 5.3701  -2.512039      8.128115  
1 1 1 -8  70  2  o 227.756 6.0597  28305.34   1494.84  29387.62   2115.32  27225.74   2112.71  231.248 8.4456  222.454 8.7686  8.794449       12.17441  
1 1 1 -8  70  3  o 122.477 3.4755  8144.39    461.042  8152.06    561.747  8128.57    806.980  122.458 4.2353  121.878 6.1328  0.5800095      7.453084  
1 1 1 -8  70  4  o 95.413  2.8378  4938.84    293.266  4618.31    415.026  5258.49    414.456  92.172  4.1572  98.376  3.8897  -6.204269      5.693209  
1 1 1 -8  70  5  o 72.349  2.8445  2839.99    222.904  2881.53    311.124  2796.17    319.511  72.706  3.9658  71.597  4.1379  1.109177       5.731479  
1 1 1 -8  70  6  f 47.970  3.2340  1254.99    167.045  1167.83    241.003  1335.58    231.742  46.046  4.9081  49.353  4.3808  -3.307659      6.578819  
1 1 1 -8  70  7  o 110.646 2.9256  6644.73    350.610  6386.35    504.926  6885.30    487.223  108.332 4.3033  112.522 3.9978  -4.189400      5.873713  
1 1 1 -8  70  8  o 86.995  2.6973  4106.81    254.147  4196.23    399.455  4046.00    329.420  87.810  4.2000  86.286  3.5248  1.523827       5.483124  
1 1 1 -8  70  9  o 72.022  4.0605  2831.82    315.457  2610.43    447.946  3049.64    444.324  68.789  6.0746  74.499  5.5463  -5.709259      8.225714  
1 1 1 -8  70  10 o 130.464 4.4196  9275.50    624.511  9356.13    893.224  9198.39    873.490  130.606 6.3143  129.523 6.2265  1.083008       8.867886  
1 1 1 -8  70  11 o 179.370 3.6815  17505.23   715.225  17067.14   1010.33  17945.32   1012.63  176.676 5.2798  181.204 5.1596  -4.527283      7.382241  
1 1 1 -8  70  12 o 150.867 3.4448  12381.75   562.892  12118.62   773.507  12677.95   820.685  148.941 4.7949  152.289 4.9755  -3.347702      6.909890  
1 1 1 -8  70  13 o 57.825  3.5386  1827.13    220.561  2044.80    303.414  1583.21    321.185  61.001  4.6267  53.427  5.6354  7.574524       7.291416  
1 1 1 -8  70  14 o 31.150  5.8766  550.596    191.001  561.050    297.319  543.250    249.231  31.166  8.5501  30.680  7.5512  0.4859829      11.40723  
1 1 1 -8  70  15 o 60.826  3.5840  2023.53    235.075  2143.09    345.219  1920.16    320.994  62.283  5.1640  58.953  5.0767  3.330494       7.241547  
1 1 1 -8  70  16 o 95.102  3.1981  4926.66    329.418  4745.61    487.064  5079.30    447.217  92.864  4.8594  96.342  4.2858  -3.477562      6.479332  
1 1 1 -8  70  17 o 33.466  5.9457  637.645    207.620  403.409    327.072  795.730    268.697  27.297  9.2681  37.212  6.9214  -9.915108      11.56735  
1 1 1 -8  70  18 f 74.285  3.4455  3014.13    277.217  2995.26    409.676  3030.06    376.508  73.487  5.1802  74.063  4.7181  -0.5757751     7.006827  
1 1 1 -8  70  19 o 66.593  4.0953  2442.84    293.952  2124.37    442.908  2693.55    392.978  61.168  6.8004  69.570  5.2540  -8.401794      8.593564  
1 1 1 -8  70  20 o 83.169  3.6094  3790.36    325.134  3766.55    471.760  3811.89    448.723  82.183  5.3286  82.809  5.0268  -0.6260529     7.325482  
1 1 1 -8  70  21 o 105.456 3.4940  6104.11    399.081  6230.48    591.533  5998.55    540.662  105.708 5.1666  103.925 4.8033  1.783302       7.054409  
1 1 1 -8  70  22 o 85.506  3.1957  4017.90    295.961  4624.95    545.026  3764.05    352.453  90.235  5.6043  82.446  3.9470  7.789459       6.854712  
1 1 1 -8  70  23 o 42.614  6.3155  1069.42    282.674  1119.64    474.338  1041.76    352.007  40.864  10.620  40.970  8.2185  -0.1062698     13.42847  
1 1 1 -8  70  24 o 25.584  1.0999  355.286    30.477   -128.5888  437.702  357.643    30.551   19.939  9.1048  25.668  1.0989  -5.729637      9.170869  
1 1 1 -8  70  25 o 31.535  7.0025  615.099    232.947  289.128    469.793  721.374    268.245  25.069  10.441  33.932  7.4986  -8.862656      12.85432  
1 1 1 -8  70  26 o 29.000  7.4646  536.090    235.847  474.148    476.126  556.230    271.496  27.392  10.833  29.157  8.2347  -1.765121      13.60754  
1 1 1 -8  70  27 o 37.539  2.0556  773.897    83.261   0.0000     0.0000   773.897    83.261   ?       ?       37.539  2.0556  0.000000       2.055632  
1 1 1 -8  71  1  o 103.750 3.3015  5843.65    371.002  6204.04    651.336  5670.56    451.385  106.500 5.6670  102.136 4.0804  4.363983       6.983109  
1 1 1 -8  71  2  o 71.706  3.1485  2790.79    244.527  2569.19    291.403  3318.23    449.562  68.645  3.9358  77.840  5.3651  -9.195694      6.653900  
1 1 1 -8  71  3  o 109.006 2.8633  6447.25    338.055  6041.42    475.087  6863.48    481.133  105.408 4.1613  112.373 3.9531  -6.964821      5.739616  
1 1 1 -8  71  4  o 68.575  2.7802  2551.45    206.495  2402.25    291.991  2700.72    292.065  66.344  4.0833  70.389  3.8455  -4.044472      5.609017  
1 1 1 -8  71  5  o 183.024 3.6779  18202.82   729.080  17787.97   1031.47  18617.04   1030.68  180.602 5.2731  184.793 5.1496  -4.190720      7.370420  
1 1 1 -8  71  6  o 122.881 3.0576  8197.49    406.944  8300.30    574.640  8094.06    576.376  123.500 4.2959  121.947 4.3638  1.553413       6.123558  
1 1 1 -8  71  7  o 32.505  2.1083  575.317    73.824   823.711    270.619  555.346    76.735   38.205  6.7886  31.923  2.2334  6.281885       7.146550  
1 1 1 -8  71  8  o 73.066  4.0349  2913.91    318.077  2901.78    455.029  2925.49    444.803  72.605  5.8356  72.935  5.6754  -0.3297806     8.140259  
1 1 1 -8  71  9  o 102.774 4.1668  5751.55    463.825  5494.18    670.299  5988.00    642.480  99.926  6.2241  104.466 5.6998  -4.539810      8.439640  
1 1 1 -8  71  10 o 108.620 3.0017  6408.83    353.143  6545.76    498.842  6271.27    499.999  109.615 4.2017  107.277 4.3032  2.338364       6.014290  
1 1 1 -8  71  11 o 147.322 3.3325  11801.71   531.749  11982.55   757.920  11626.40   746.231  148.142 4.7236  145.925 4.7214  2.217621       6.678655  
1 1 1 -8  71  12 o 81.178  2.9747  3581.67    261.552  3488.54    365.933  3678.95    373.979  79.857  4.2460  82.017  4.2242  -2.160431      5.989399  
1 1 1 -8  71  13 o 75.207  3.0996  3076.03    252.482  3160.76    357.075  2991.31    357.051  75.959  4.3585  73.863  4.4843  2.095619       6.253405  
1 1 1 -8  71  14 o 57.314  3.5414  1796.37    218.762  2208.63    325.574  1457.04    295.377  63.340  4.7809  51.239  5.4039  12.10119       7.215199  
1 1 1 -8  71  15 o 55.752  3.5993  1701.92    216.186  1700.86    309.720  1702.94    301.896  55.403  5.2230  55.470  5.0814  -0.6748962E-01 7.287007  
1 1 1 -8  71  16 o 74.772  3.3752  3048.56    273.344  2979.31    408.004  3104.95    368.190  73.410  5.1643  75.119  4.5468  -1.709305      6.880650  
1 1 1 -8  71  17 o 29.193  6.2769  490.907    192.573  504.803    281.638  478.706    263.905  29.439  8.4126  28.694  8.1240  0.7456017      11.69496  
1 1 1 -8  71  18 o 40.832  4.8237  930.883    209.210  841.104    307.158  1008.58    285.737  37.938  7.7374  42.048  6.4825  -4.110222      10.09406  
1 1 1 -8  71  19 o 36.664  6.4138  772.324    245.423  969.109    361.267  603.677    334.444  40.443  8.5166  31.859  9.1866  8.583998       12.52699  
1 1 1 -8  71  20 o 18.843  7.5814  109.624    237.225  298.914    357.471  -39.3406   317.115  25.184  9.5398  18.652  8.1822  6.532345       12.56808  
1 1 1 -8  71  21 o 64.942  4.3041  2345.40    301.029  2428.51    462.822  2284.47    396.312  64.925  6.6767  63.401  5.8368  1.524357       8.868303  
1 1 1 -8  71  22 o 34.956  7.1035  735.025    259.776  676.130    395.871  779.567    344.268  32.410  10.147  35.117  9.0076  -2.707211      13.56798  
1 1 1 -8  71  23 o 24.301  8.3123  348.484    263.111  452.516    438.729  290.053    328.800  27.870  10.566  23.746  9.1122  4.123968       13.95243  
1 1 1 -8  71  24 o 27.103  7.6991  459.031    236.611  263.491    455.386  531.342    276.927  24.822  10.303  28.889  8.3679  -4.067122      13.27340  
1 1 1 -8  71  25 o 19.407  7.4931  181.775    223.313  89.960     453.639  211.141    256.551  22.264  9.7761  20.660  8.0160  1.604797       12.64235  
1 1 1 -8  71  26 o 18.252  7.3917  132.318    227.102  -446.1453  462.235  316.383    260.742  17.423  8.3754  22.911  8.2401  -5.488220      11.74935  
1 1 1 -8  71  27 o 19.231  8.4928  33.156     346.965  0.0000     0.0000   33.156     346.965  ?       ?       19.231  8.4928  0.000000       8.492822  
1 1 1 -8  72  1  o 80.356  4.1059  3520.57    356.163  3778.77    497.211  3248.47    510.431  83.031  5.5609  76.843  6.1852  6.188240       8.317498  
1 1 1 -8  72  2  o 148.736 3.7648  12023.02   606.500  11849.49   740.422  12376.89   1057.34  147.524 4.6339  150.384 6.4914  -2.860046      7.975702  
1 1 1 -8  72  3  o 109.393 2.8472  6494.02    337.345  6289.42    472.229  6707.25    482.078  107.541 4.0542  111.062 4.0076  -3.520073      5.700654  
1 1 1 -8  72  4  o 75.919  2.7761  3127.61    228.271  3102.80    327.534  3151.04    318.310  75.427  4.0237  76.032  3.8782  -0.6043854     5.588482  
1 1 1 -8  72  5  o 192.225 4.0163  20098.15   836.196  19916.45   1122.27  20324.92   1253.74  191.011 5.4246  192.788 6.0043  -1.776917      8.091813  
1 1 1 -8  72  6  o 170.560 3.5362  15810.18   653.264  15754.24   924.728  15865.91   922.984  169.952 5.0236  170.560 4.9963  -0.6079102     7.085173  
1 1 1 -8  72  7  o 109.893 4.1324  6573.48    491.858  6084.31    701.169  7047.40    690.148  105.220 6.1797  113.542 5.6120  -8.322289      8.347615  
1 1 1 -8  72  8  o 215.143 5.8231  25333.38   1356.90  25675.21   1926.16  24996.63   1911.82  215.447 8.2543  212.553 8.3044  2.893234       11.70884  
1 1 1 -8  72  9  o 68.188  3.1505  2526.35    232.681  2709.81    330.415  2345.86    327.724  70.383  4.3557  65.419  4.6556  4.964546       6.375510  
1 1 1 -8  72  10 o 106.661 3.0174  6181.15    348.585  5739.52    491.739  6627.25    494.218  102.587 4.4256  110.285 4.1375  -7.697037      6.058413  
1 1 1 -8  72  11 o 11.711  5.3103  -83.6224   145.630  56.379     211.740  -209.2953  200.613  17.222  7.0753  12.436  5.8428  4.785895       9.175944  
1 1 1 -8  72  12 o 29.367  5.6629  488.915    173.596  323.940    263.479  615.464    230.764  24.779  8.3189  32.825  6.7170  -8.046078      10.69213  
1 1 1 -8  72  13 o 61.471  3.3905  2063.32    224.865  1896.23    330.338  2207.61    306.960  58.574  5.2631  63.397  4.4996  -4.823330      6.924381  
1 1 1 -8  72  14 o 86.392  3.1167  4061.94    291.638  4045.23    427.215  4076.52    399.095  85.843  4.6117  86.361  4.2667  -0.5178528     6.282709  
1 1 1 -8  72  15 o 77.435  3.2845  3267.02    275.472  3130.35    418.682  3371.35    365.802  75.294  5.1652  78.372  4.3261  -3.077835      6.737567  
1 1 1 -8  72  16 o 57.882  3.6773  1837.08    229.340  1902.12    332.934  1778.35    316.371  58.517  5.3108  56.590  5.2205  1.926861       7.447017  
1 1 1 -8  72  17 f 50.741  4.1912  1420.83    228.276  1453.03    347.344  1396.34    302.869  50.680  6.4759  49.905  5.7058  0.7740822      8.630951  
1 1 1 -8  72  18 o 39.277  5.3238  868.333    220.645  870.184    351.066  867.125    283.675  38.289  8.6673  38.742  7.0188  -0.4531364     11.15284  
1 1 1 -8  72  19 o 88.055  3.5158  4244.37    335.310  3997.59    493.313  4456.30    457.149  84.684  5.4066  89.727  4.7206  -5.042549      7.177382  
1 1 1 -8  72  20 o 48.378  5.2649  1318.19    271.420  1372.29    415.563  1277.94    358.433  48.099  8.2752  46.822  7.3065  1.277390       11.03923  
1 1 1 -8  72  21 o 67.038  4.1705  2499.63    301.313  2536.77    453.116  2470.18    403.439  66.392  6.3798  65.893  5.7093  0.4993286      8.561426  
1 1 1 -8  72  22 o 13.795  6.5106  -244.0447  254.184  -233.1526  428.495  -249.9585  315.736  18.956  8.7826  15.746  7.3762  3.209260       11.46919  
1 1 1 -8  72  23 o 30.980  8.0378  601.432    272.020  728.550    453.015  529.753    340.174  32.928  10.905  28.874  9.4440  4.053911       14.42563  
1 1 1 -8  72  24 o 40.980  5.5324  980.203    239.279  1013.29    481.733  969.367    275.693  37.941  11.050  40.187  6.5602  -2.246117      12.85070  
1 1 1 -8  72  25 o 32.771  6.8398  662.623    234.930  456.487    475.244  729.286    270.260  27.352  10.821  34.005  7.5359  -6.652788      13.18667  
1 1 1 -8  72  26 f 25.835  7.7276  428.434    233.008  489.041    474.379  409.162    267.501  27.498  10.833  25.227  8.3807  2.271034       13.69612  
1 1 1 -8  73  1  o 51.588  2.6320  1447.64    146.571  1359.76    158.787  1953.82    381.068  49.964  2.9472  59.487  5.9962  -9.522968      6.681364  
1 1 1 -8  73  2  o 110.821 2.9057  6666.06    348.772  6513.99    488.376  6824.34    498.250  109.424 4.1207  112.002 4.1073  -2.577988      5.818058  
1 1 1 -8  73  3  o 104.308 2.8619  5905.43    323.323  5902.88    459.138  5907.94    455.381  104.167 4.0695  104.215 4.0343  -0.4864502E-01 5.730356  
1 1 1 -8  73  4  o 118.975 3.0305  7685.53    390.522  7762.15    554.490  7610.12    550.099  119.413 4.2872  118.236 4.2956  1.176430       6.068930  
1 1 1 -8  73  5  o 52.403  3.3380  1497.94    188.472  1680.86    267.145  1316.67    265.938  55.370  4.4933  48.864  5.0999  6.505684       6.796987  
1 1 1 -8  73  6  o 88.107  3.9718  4224.03    379.029  4188.98    547.867  4256.21    524.925  87.315  5.8267  88.078  5.5306  -0.7632980     8.033512  
1 1 1 -8  73  7  o 108.720 4.1776  6436.17    491.936  6470.93    715.815  6405.06    677.195  108.510 6.1156  108.031 5.8089  0.4783020      8.434642  
1 1 1 -8  73  8  o 123.202 3.0820  8245.91    411.263  7843.57    582.632  8645.45    580.599  119.948 4.4847  125.972 4.2553  -6.023773      6.182221  
1 1 1 -8  73  9  f 229.745 4.3308  28774.91   1077.67  28577.29   1525.37  28971.86   1522.75  228.179 6.1721  229.775 6.1186  -1.596252      8.690914  
1 1 1 -8  73  10 o 66.425  3.0522  2398.07    219.594  2341.50    309.654  2455.30    311.461  65.367  4.3993  66.957  4.3177  -1.590584      6.164149  
1 1 1 -8  73  11 o 78.571  3.0766  3356.32    261.816  3358.37    381.779  3354.49    359.732  78.290  4.5215  78.296  4.2580  -0.5889893E-02 6.210856  
1 1 1 -8  73  12 o 63.937  3.1924  2223.88    221.079  2204.19    317.921  2242.32    307.637  63.325  4.6682  63.912  4.4723  -0.5869255     6.464826  
1 1 1 -8  73  13 o 46.688  3.7056  1195.62    185.844  1105.52    289.982  1258.41    242.098  44.366  6.2044  47.717  4.7473  -3.351734      7.812282  
1 1 1 -8  73  14 o 98.393  3.0794  5269.67    328.169  5389.76    472.056  5157.33    456.536  99.248  4.3914  97.096  4.3411  2.152229       6.174911  
1 1 1 -8  73  15 o 36.878  4.8980  759.579    190.800  714.740    284.745  796.117    257.040  35.069  7.7068  37.345  6.5960  -2.275551      10.14410  
1 1 1 -8  73  16 o 63.279  3.5494  2193.22    242.286  2144.93    351.942  2236.72    334.046  62.154  5.2778  63.589  4.8876  -1.434490      7.193312  
1 1 1 -8  73  17 o 62.556  3.5741  2146.05    241.157  1746.99    350.017  2506.67    332.734  55.802  5.8797  67.362  4.5878  -11.56025      7.457834  
1 1 1 -8  73  18 o 48.468  1.9947  1276.22    104.715  1093.81    345.057  1294.73    109.898  43.393  7.6199  48.811  2.0787  -5.418732      7.898309  
1 1 1 -8  73  19 o 45.104  5.0348  1140.76    241.764  1306.30    352.280  993.391    332.397  47.577  7.0496  41.111  7.7491  6.465672       10.47599  
1 1 1 -8  73  20 o 91.560  3.0926  4590.39    306.694  4454.68    496.922  4673.90    389.791  89.188  5.1662  92.087  3.9081  -2.899261      6.477889  
1 1 1 -8  73  21 o 39.045  6.4024  893.928    261.372  1063.14    395.919  763.214    347.977  41.213  9.1117  34.820  9.1188  6.393040       12.89094  
1 1 1 -8  73  22 o 14.095  6.5718  -189.6330  245.857  114.188    382.276  -403.9489  321.067  21.850  9.2776  14.515  6.9783  7.335726       11.60905  
1 1 1 -8  73  23 o 14.201  6.6680  -219.6599  260.596  -186.9689  442.716  -236.9924  322.360  19.525  9.0045  15.965  7.4705  3.560418       11.69991  
1 1 1 -8  73  24 o 50.131  4.6860  1435.20    251.487  1917.77    504.575  1275.70    290.085  54.793  8.8000  46.562  5.8834  8.231632       10.58558  
1 1 1 -8  73  25 o 51.007  4.7174  1493.70    257.664  1931.37    514.664  1347.31    297.652  54.322  9.0669  47.688  5.8878  6.634689       10.81086  
1 1 1 -8  73  26 o 17.258  7.5882  8.9486     274.131  204.496    456.426  -101.3928  342.858  23.379  10.037  17.601  8.0453  5.778696       12.86342  
1 1 1 -8  74  1  o 22.753  5.9378  293.586    147.881  256.068    170.406  408.028    297.617  21.605  6.6397  27.448  8.8224  -5.843491      11.04171  
1 1 1 -8  74  2  o 122.437 3.0107  8139.55    399.249  7698.64    560.264  8594.46    569.086  118.906 4.3503  125.659 4.1813  -6.753654      6.033956  
1 1 1 -8  74  3  o 117.894 2.9479  7546.23    376.426  7664.98    535.313  7430.08    529.429  118.668 4.1649  116.833 4.1838  1.835228       5.903442  
1 1 1 -8  74  4  o 111.751 2.9559  6780.75    357.773  6920.58    508.192  6643.35    503.772  112.754 4.1613  110.465 4.2105  2.288208       5.919876  
1 1 1 -8  74  5  o 25.650  6.2407  374.786    171.721  445.291    246.365  308.165    239.483  28.008  7.8213  24.109  7.9258  3.899351       11.13515  
1 1 1 -8  74  6  o 183.840 5.2133  18460.57   1038.07  18279.28   1469.75  18641.02   1466.36  182.126 7.4508  183.958 7.3596  -1.831940      10.47268  
1 1 1 -8  74  7  o 95.062  2.9429  4908.08    303.007  4789.92    428.556  5026.20    428.476  93.769  4.2197  96.067  4.1180  -2.298439      5.896041  
1 1 1 -8  74  8  o 30.435  5.1370  519.868    163.309  682.745    248.783  396.542    216.480  34.634  6.8745  26.411  7.3161  8.223524       10.03917  
1 1 1 -8  74  9  o 111.189 3.0161  6718.45    363.230  6523.08    518.827  6906.26    508.694  109.352 4.3805  112.555 4.1727  -3.203705      6.049856  
1 1 1 -8  74  10 f 89.194  3.0030  4324.13    290.111  4418.23    421.697  4239.58    399.740  89.982  4.3269  88.166  4.1861  1.816689       6.020384  
1 1 1 -8  74  11 o 126.670 3.1369  8726.28    430.367  8687.75    611.747  8764.04    605.563  126.113 4.4786  126.681 4.4134  -0.5682220     6.287779  
1 1 1 -8  74  12 o 42.287  4.3017  986.552    194.277  1117.59    287.194  875.999    263.793  44.652  6.0977  39.367  6.4071  5.285263       8.844974  
1 1 1 -8  74  13 f 75.584  2.7057  3105.52    221.501  3027.63    396.155  3140.95    267.164  74.143  4.9618  75.951  3.2477  -1.808655      5.930181  
1 1 1 -8  74  14 o 43.782  4.3118  1058.83    201.812  1243.69    308.708  920.861    266.691  47.029  6.2127  40.332  6.3120  6.696842       8.856544  
1 1 1 -8  74  15 o 30.617  5.9302  535.487    189.553  727.237    294.599  400.021    247.616  35.311  7.9004  26.483  7.9763  8.828270       11.22661  
1 1 1 -8  74  16 o 44.982  4.3961  1120.64    211.439  1119.38    316.886  1121.65    283.871  44.286  6.8257  44.575  6.0350  -0.2883987     9.111019  
1 1 1 -8  74  17 o 43.342  4.6253  1044.98    213.775  1081.00    315.068  1014.26    291.010  43.411  6.9343  42.132  6.5933  1.278645       9.568525  
1 1 1 -8  74  18 o 44.517  5.0661  1109.69    239.919  1110.31    350.387  1109.13    329.196  43.644  7.6935  43.809  7.1872  -0.1649857     10.52834  
1 1 1 -8  74  19 o 55.558  4.3281  1712.85    258.390  1580.09    377.603  1829.75    354.343  52.428  6.8106  56.892  5.8330  -4.463646      8.967018  
1 1 1 -8  74  20 o 34.828  6.5788  712.458    239.074  593.742    345.422  821.617    331.228  31.042  9.4368  36.650  8.5078  -5.608198      12.70578  
1 1 1 -8  74  21 o 35.580  7.3458  765.658    273.700  1102.94    448.917  566.102    345.303  41.199  10.131  30.011  9.4879  11.18854       13.87998  
1 1 1 -8  74  22 o 30.344  7.9583  572.722    264.790  840.004    413.886  387.522    344.522  35.637  10.203  25.922  9.4500  9.714714       13.90711  
1 1 1 -8  74  23 o 25.685  8.2315  407.769    259.230  163.978    400.257  583.917    340.227  22.647  9.5477  29.986  9.4095  -7.338482      13.40513  
1 1 1 -8  74  24 o 19.443  7.4508  184.621    219.651  498.160    446.205  84.342     252.343  28.065  10.652  18.104  7.6039  9.960661       13.08733  
1 1 1 -8  74  25 o 34.676  6.5984  737.139    238.766  694.031    477.306  751.527    275.746  31.070  11.151  34.394  7.6042  -3.323792      13.49739  
1 1 1 -8  74  26 f 27.550  8.6553  501.500    287.776  770.793    475.644  346.004    361.434  32.320  11.171  24.407  9.5021  7.913343       14.66537  
1 1 1 -8  75  1  o 86.776  2.8172  4087.75    264.786  3949.20    372.707  4228.95    376.246  85.185  4.0395  88.161  3.9402  -2.976082      5.643003  
1 1 1 -8  75  2  o 64.978  2.8363  2292.08    199.609  2002.04    273.155  2624.45    292.408  60.497  4.1946  69.345  3.9091  -8.847424      5.733766  
1 1 1 -8  75  3  o 97.120  3.2479  5124.61    341.653  5287.87    585.370  5040.27    420.753  98.203  5.5259  96.232  4.0368  1.970657       6.843342  
1 1 1 -8  75  4  o 66.760  3.8487  2432.81    277.115  2403.62    399.297  2459.94    384.900  66.060  5.6346  66.888  5.3579  -0.8278809     7.775304  
1 1 1 -8  75  5  o 117.608 4.1458  7532.34    528.093  7796.88    750.344  7272.69    743.377  119.338 5.8051  115.067 5.9853  4.270271       8.338102  
1 1 1 -8  75  6  o 67.301  2.9637  2460.24    216.036  2628.02    311.676  2305.09    299.718  69.335  4.1697  64.901  4.2879  4.434166       5.981038  
1 1 1 -8  75  7  o 87.151  2.9558  4126.03    279.004  4157.05    406.253  4098.34    383.844  87.327  4.2951  86.735  4.0859  0.5920029      5.928123  
1 1 1 -8  75  8  o 204.798 4.0004  22852.35   887.360  23132.46   1256.05  22573.25   1253.79  205.434 5.6450  202.910 5.7049  2.524277       8.025737  
1 1 1 -8  75  9  o 164.433 3.5737  14717.72   636.474  15195.90   867.608  14160.51   936.564  166.740 4.8041  160.773 5.3784  5.967590       7.211578  
1 1 1 -8  75  10 o 39.725  4.3362  871.377    183.541  861.851    257.383  881.232    261.805  39.100  6.2910  39.538  6.3270  -0.4379005     8.922309  
1 1 1 -8  75  11 o 158.884 3.4239  13743.78   589.203  13740.47   836.564  13747.03   829.993  158.434 4.8751  158.486 4.8352  -0.5165100E-01 6.866244  
1 1 1 -8  75  12 o 86.492  3.0254  4069.71    283.424  4155.31    401.478  3984.67    400.168  87.205  4.2506  85.271  4.3473  1.934227       6.079978  
1 1 1 -8  75  13 o 80.510  3.0883  3528.38    269.301  3401.42    381.571  3654.39    380.131  78.698  4.4952  81.625  4.3151  -2.926720      6.231088  
1 1 1 -8  75  14 o 20.173  6.6452  217.528    168.314  57.344     244.270  362.335    232.249  18.213  7.5521  25.326  7.7461  -7.113047      10.81838  
1 1 1 -8  75  15 o 46.231  4.0683  1178.77    201.637  988.223    294.180  1347.61    276.916  41.613  6.7590  49.169  5.2827  -7.556000      8.578521  
1 1 1 -8  75  16 o 74.313  3.3120  3014.50    266.579  2879.88    403.208  3119.05    355.318  72.043  5.2024  75.247  4.3786  -3.204285      6.799786  
1 1 1 -8  75  17 o 33.059  1.7218  594.832    61.437   373.483    294.623  604.895    62.818   26.087  8.7966  33.336  1.7459  -7.248913      8.968219  
1 1 1 -8  75  18 o 37.583  6.3902  812.855    250.809  600.697    405.759  944.036    319.062  31.860  10.308  40.127  7.6198  -8.267725      12.81832  
1 1 1 -8  75  19 o 71.315  3.9748  2811.16    305.798  2579.70    478.147  2971.36    397.787  67.087  6.6687  72.869  5.0717  -5.781929      8.378168  
1 1 1 -8  75  20 o 42.730  5.8413  1052.37    263.264  1523.19    425.862  761.156    334.930  50.304  8.0904  34.971  8.8384  15.33274       11.98213  
1 1 1 -8  75  21 o 86.623  3.7509  4156.14    351.914  4147.70    530.576  4162.77    470.232  85.070  5.7929  85.766  5.0848  -0.6960907     7.707957  
1 1 1 -8  75  22 o 87.960  3.7449  4294.88    356.778  4132.21    531.623  4428.18    481.249  84.653  5.8338  88.311  5.0523  -3.658241      7.717489  
1 1 1 -8  75  23 o 41.508  6.3001  1024.23    274.342  1180.57    421.561  909.377    361.323  42.471  9.4117  37.402  9.0233  5.069408       13.03846  
1 1 1 -8  75  24 o 41.590  5.5038  1013.83    241.838  1623.47    491.950  819.549    277.711  49.507  9.5203  36.303  7.3156  13.20353       12.00646  
1 1 1 -8  75  25 o 18.869  7.4754  158.193    227.089  -205.2259  458.490  276.327    261.405  19.265  8.9796  22.070  8.1996  -2.805309      12.16003  
1 1 1 -8  76  1  o 45.866  2.0955  1140.88    104.101  1095.52    115.744  1332.90    238.154  44.872  2.3901  49.247  4.5151  -4.374928      5.108689  
1 1 1 -8  76  2  o 107.082 4.0110  6242.06    465.202  6330.40    651.171  6149.99    664.832  107.428 5.6159  105.832 5.8224  1.596527       8.089357  
1 1 1 -8  76  3  o 58.745  3.7991  1885.50    240.432  1779.16    339.590  1992.38    340.457  56.760  5.5967  60.156  5.2787  -3.396202      7.693398  
1 1 1 -8  76  4  o 65.737  3.9551  2360.92    280.292  2384.94    415.902  2340.94    379.394  65.722  5.9057  65.207  5.4210  0.5148849      8.016484  
1 1 1 -8  76  5  o 116.255 3.0066  7342.17    378.580  7251.62    538.168  7430.88    532.660  115.346 4.3077  116.780 4.2113  -1.433540      6.024194  
1 1 1 -8  76  6  o 98.213  2.9286  5239.96    311.535  4941.22    436.255  5550.85    445.029  95.212  4.2304  100.939 4.0706  -5.726768      5.870782  
1 1 1 -8  76  7  o 49.734  3.4134  1351.72    182.754  1348.40    264.017  1354.78    253.227  49.418  5.0015  49.578  4.7748  -0.1602669     6.914762  
1 1 1 -8  76  8  o 73.025  3.0625  2898.70    242.223  3231.04    354.805  2608.60    331.493  76.845  4.2799  68.990  4.4601  7.854446       6.181428  
1 1 1 -8  76  9  o 87.014  2.7027  4112.89    254.718  4166.68    399.335  4076.00    330.735  87.390  4.2190  86.530  3.5289  0.8599777      5.500261  
1 1 1 -8  76  10 o 134.937 3.2532  9907.13    475.453  9503.77    676.589  10300.64   668.272  131.815 4.7390  137.298 4.4938  -5.483566      6.530933  
1 1 1 -8  76  11 o 185.064 3.7715  18674.94   755.967  18848.68   1069.71  18501.60   1068.49  185.292 5.3301  183.558 5.3744  1.734604       7.569287  
1 1 1 -8  76  12 o 94.068  3.0310  4815.17    308.818  4618.19    437.196  5011.32    436.275  91.882  4.3932  95.753  4.2067  -3.870842      6.082438  
1 1 1 -8  76  13 o 27.698  6.2877  441.193    184.315  327.304    276.312  532.495    247.400  24.919  8.5183  30.281  7.5651  -5.362080      11.39263  
1 1 1 -8  76  14 o 3.7760  1.8253  -36.8761   22.693   93.016     291.149  -37.6700   22.763   20.236  8.3030  3.7622  1.8209  16.47352       8.500275  
1 1 1 -8  76  15 o 74.259  2.7094  3001.53    217.919  2818.63    395.448  3081.29    261.149  71.315  5.1544  75.163  3.2079  -3.848068      6.071053  
1 1 1 -8  76  16 o 101.928 3.0273  5664.74    334.206  5653.42    521.631  5672.62    435.280  101.325 4.7531  101.757 3.9494  -0.4326706     6.179798  
1 1 1 -8  76  17 o 63.563  3.8242  2222.46    262.052  2087.52    415.607  2311.51    337.623  60.748  6.4135  64.524  4.8669  -3.775738      8.051063  
1 1 1 -8  76  18 o 44.427  5.2656  1112.05    248.443  987.919    373.713  1210.36    332.576  40.531  8.7679  45.765  6.9260  -5.234219      11.17340  
1 1 1 -8  76  19 o 44.925  2.2674  1102.68    109.970  1014.16    376.140  1110.96    114.994  40.732  8.7842  45.077  2.3636  -4.344261      9.096632  
1 1 1 -8  76  20 o 16.316  6.9987  17.097     221.596  -52.5246   325.487  77.248     302.538  18.362  8.1616  19.646  8.2926  -1.283781      11.63522  
1 1 1 -8  76  21 o 64.214  4.2542  2309.05    294.202  2561.97    438.952  2102.77    396.419  66.488  6.1655  60.190  6.1679  6.297977       8.721018  
1 1 1 -8  76  22 f 75.531  3.9629  3186.76    323.068  3067.74    477.531  3287.22    438.709  72.589  6.1312  75.756  5.3818  -3.166847      8.158136  
1 1 1 -8  76  23 f 26.307  1.6575  378.387    46.985   543.373    400.551  376.085    47.312   28.903  10.232  26.224  1.6744  2.678696       10.36837  
1 1 1 -8  76  24 o 47.227  4.9547  1287.33    249.663  1237.38    503.009  1303.66    287.587  41.563  11.002  47.030  5.7666  -5.467854      12.42128  
1 1 1 -8  76  25 o 42.401  5.5489  1059.36    248.716  863.187    497.470  1124.73    287.185  34.066  11.431  43.210  6.3234  -9.144138      13.06327  
1 1 1 -8  77  1  o 60.742  3.9775  2017.42    260.236  2099.50    364.041  1931.63    372.151  61.706  5.5047  59.089  5.8935  2.617573       8.064475  
1 1 1 -8  77  2  o 34.525  4.9579  663.948    180.075  514.078    234.787  878.062    280.632  29.950  7.3035  39.413  6.8209  -9.463177      9.993305  
1 1 1 -8  77  3  o 27.234  5.8392  421.681    167.067  319.520    219.599  562.064    257.421  24.136  7.5573  31.286  7.6585  -7.149796      10.75946  
1 1 1 -8  77  4  o 46.340  3.4221  1174.13    170.543  1178.44    253.341  1170.56    230.624  46.148  5.1567  46.077  4.6864  0.7123947E-01  6.968010  
1 1 1 -8  77  5  o 63.841  3.2117  2221.18    221.369  2418.13    323.951  2048.65    303.203  66.417  4.5303  61.093  4.6162  5.324223       6.467867  
1 1 1 -8  77  6  o 71.729  2.9902  2795.94    232.308  2653.94    337.007  2924.50    320.669  69.592  4.4951  73.143  4.0638  -3.550560      6.059699  
1 1 1 -8  77  7  o 14.940  5.8263  75.361     136.066  132.243    193.227  19.413     191.635  18.385  7.0019  15.725  6.6167  2.660164       9.633636  
1 1 1 -8  77  8  o 158.927 3.4499  13746.39   593.857  13445.86   845.763  14038.65   834.041  156.761 4.9813  160.236 4.8057  -3.475159      6.921548  
1 1 1 -8  77  9  o 97.125  3.0228  5129.15    317.984  5276.61    456.613  4990.29    443.086  98.312  4.2882  95.609  4.2788  2.702881       6.057766  
1 1 1 -8  77  10 o 85.851  3.0120  4008.66    280.077  4038.17    398.676  3979.91    393.550  85.979  4.2811  85.360  4.2567  0.6182938      6.037187  
1 1 1 -8  77  11 o 80.302  3.1396  3509.78    273.066  3322.65    395.488  3680.26    377.487  77.749  4.7187  81.948  4.2678  -4.198219      6.362420  
1 1 1 -8  77  12 o 52.821  3.7601  1530.39    213.714  1360.02    314.196  1677.08    291.548  49.277  6.0116  55.063  4.9412  -5.786125      7.781656  
1 1 1 -8  77  13 f 47.768  3.9162  1255.25    200.834  1189.21    285.745  1319.73    282.331  46.039  5.8634  48.644  5.4525  -2.604866      8.006804  
1 1 1 -8  77  14 o 49.847  3.9549  1367.77    211.770  1549.23    316.063  1219.94    285.273  52.656  5.6291  46.620  5.7730  6.035866       8.063124  
1 1 1 -8  77  15 o 49.374  2.2751  1325.07    121.663  1820.59    307.484  1233.09    132.474  57.263  5.0081  47.535  2.5827  9.727699       5.634838  
1 1 1 -8  77  16 o 63.480  3.5478  2210.24    242.955  2283.68    361.235  2149.58    328.302  64.055  5.2530  62.240  4.9099  1.814339       7.190355  
1 1 1 -8  77  17 o 113.311 3.2617  7019.70    400.297  7562.87    604.530  6595.58    534.186  116.984 4.7711  109.364 4.5097  7.619972       6.565165  
1 1 1 -8  77  18 o 43.847  5.2454  1086.38    244.166  986.336    359.012  1172.48    333.054  40.480  8.4608  44.849  7.0921  -4.369270      11.04010  
1 1 1 -8  77  19 o 21.842  7.6677  258.046    224.530  470.837    328.926  72.379     307.248  28.034  9.2922  19.791  8.3554  8.243332       12.49632  
1 1 1 -8  77  20 o 23.764  7.7794  331.067    230.805  456.099    338.011  221.841    315.923  27.522  9.4214  22.437  8.8399  5.084379       12.91925  
1 1 1 -8  77  21 o 71.015  4.1345  2819.51    316.639  2759.16    499.185  2860.14    409.583  68.449  6.8243  70.767  5.3841  -2.317986      8.692472  
1 1 1 -8  77  22 o 20.793  7.9755  210.469    251.818  177.548    376.163  237.204    338.981  22.452  9.3459  22.797  9.1010  -0.3443222     13.04506  
1 1 1 -8  77  23 o 57.917  4.9573  1923.35    307.977  1992.66    487.168  1877.20    397.479  56.399  8.2165  55.984  6.6875  0.4149513      10.59404  
1 1 1 -8  77  24 o 33.195  6.7008  676.604    232.614  773.603    457.152  642.716    270.210  32.837  10.958  31.657  7.9047  1.180321       13.51163  
1 1 1 -8  78  1  o 100.980 3.9675  5554.31    433.928  5165.65    611.427  5948.71    615.932  96.884  5.8542  104.091 5.4826  -7.207016      8.020607  
1 1 1 -8  78  2  o 63.690  3.8865  2217.19    266.820  2067.53    363.202  2392.66    393.271  61.199  5.5395  65.865  5.5649  -4.666119      7.851983  
1 1 1 -8  78  3  o 123.328 3.0332  8265.47    405.161  8345.21    573.961  8186.28    572.013  123.710 4.2836  122.521 4.3105  1.188965       6.076950  
1 1 1 -8  78  4  o 54.329  3.1901  1610.14    186.894  1691.71    260.408  1523.48    268.390  55.521  4.3656  52.602  4.7624  2.919300       6.460551  
1 1 1 -8  78  5  f 115.415 3.0479  7239.92    381.002  7443.58    542.846  7042.19    534.879  116.820 4.2903  113.616 4.3466  3.204132       6.107320  
1 1 1 -8  78  6  o 122.682 3.1261  8182.77    415.390  7798.07    592.361  8554.97    582.658  119.496 4.5768  125.223 4.2959  -5.727234      6.277130  
1 1 1 -8  78  7  o 162.711 3.5167  14411.78   619.751  14075.08   874.575  14751.41   878.357  160.365 5.0352  164.206 4.9387  -3.840454      7.052949  
1 1 1 -8  78  8  o 36.953  4.3925  755.999    172.363  668.110    244.777  842.441    242.753  34.196  6.8477  38.707  5.9833  -4.511333      9.093442  
1 1 1 -8  78  9  o 29.581  5.3928  494.780    166.417  430.704    239.268  554.822    231.616  27.433  7.7246  31.053  7.0478  -3.620409      10.45656  
1 1 1 -8  78  10 o 51.232  3.7691  1439.11    207.676  1366.61    309.436  1498.54    280.140  49.475  5.8903  52.040  5.0330  -2.565266      7.747727  
1 1 1 -8  78  11 f 16.407  6.3472  98.051     160.478  227.445    230.753  -23.1525   223.330  21.667  7.7561  16.058  6.9577  5.609159       10.41953  
1 1 1 -8  78  12 o 24.694  6.5039  350.528    176.368  183.617    258.983  494.880    240.847  21.229  8.1011  29.205  7.5565  -7.975361      11.07829  
1 1 1 -8  78  13 o 50.478  3.9504  1401.82    214.256  1000.54    316.154  1742.65    291.369  41.746  7.2555  56.111  4.8417  -14.36472      8.722672  
1 1 1 -8  78  14 o 87.921  3.2246  4216.30    307.076  4353.94    449.968  4096.33    420.109  88.874  4.6911  86.254  4.5126  2.619438       6.509230  
1 1 1 -8  78  15 o 82.055  3.2355  3674.32    287.557  3531.52    427.065  3792.76    388.938  79.889  4.9600  83.006  4.3412  -3.116211      6.591539  
1 1 1 -8  78  16 o 101.524 3.2097  5629.95    352.940  5494.03    524.220  5742.63    477.335  99.746  4.8523  102.185 4.3129  -2.438957      6.491971  
1 1 1 -8  78  17 o 50.675  4.5179  1429.03    245.367  1332.89    370.226  1504.34    327.661  47.882  7.3755  51.498  5.9861  -3.615475      9.499054  
1 1 1 -8  78  18 o 30.337  7.4746  551.735    244.007  806.158    385.651  381.888    315.097  35.933  9.6882  26.069  9.0873  9.863218       13.28308  
1 1 1 -8  78  19 o 30.469  7.5140  564.016    246.414  654.349    385.474  501.595    320.434  32.118  10.005  28.606  9.1501  3.511688       13.55852  
1 1 1 -8  78  20 o 34.247  7.0646  706.043    253.347  809.058    399.973  637.020    327.400  35.288  10.005  31.736  9.0709  3.552153       13.50494  
1 1 1 -8  78  21 o 58.157  4.5542  1909.06    284.578  1877.38    437.354  1932.32    374.765  55.886  7.4079  57.611  6.0988  -1.724434      9.595416  
1 1 1 -8  78  22 o 42.502  6.0324  1064.38    269.904  1110.67    413.188  1029.93    356.466  41.167  9.4646  40.327  8.4325  0.8409233      12.67618  
1 1 1 -8  78  23 o 35.345  7.2202  773.334    267.066  807.164    397.717  745.553    360.409  34.306  10.054  33.304  9.5165  1.001862       13.84391  
1 1 1 -8  78  24 f 38.370  5.4718  865.551    220.961  764.381    531.058  886.733    242.994  32.382  11.744  38.541  6.0178  -6.158360      13.19568  
1 1 1 -8  79  1  o 133.713 4.3743  9753.99    633.500  10500.38   898.273  9015.42    893.555  138.289 5.9972  127.838 6.4746  10.45097       8.825335  
1 1 1 -8  79  2  o 156.459 3.3115  13313.22   561.172  12766.85   790.194  13869.16   797.086  152.867 4.7726  159.374 4.6176  -6.507370      6.640749  
1 1 1 -8  79  3  o 88.101  2.9827  4218.06    284.619  4188.17    395.109  4250.31    410.347  87.645  4.1622  88.274  4.2919  -0.6289215     5.978646  
1 1 1 -8  79  4  o 62.780  3.0846  2142.54    209.744  1946.42    285.007  2374.24    309.787  59.554  4.4507  65.821  4.3703  -6.266766      6.237592  
1 1 1 -8  79  5  o 109.956 3.0704  6572.81    365.667  6440.56    517.792  6704.38    516.474  108.623 4.4011  110.845 4.3019  -2.221809      6.154348  
1 1 1 -8  79  6  o 70.738  3.0775  2720.75    235.791  2766.86    336.660  2676.36    330.347  71.055  4.3961  69.881  4.3868  1.174255       6.210468  
1 1 1 -8  79  7  o 169.240 3.5250  15596.69   646.138  15155.29   911.896  16041.74   915.671  166.344 5.0614  171.186 4.9386  -4.841827      7.071567  
1 1 1 -8  79  8  o 72.380  3.2090  2850.85    251.569  2627.63    355.440  3074.91    356.106  69.128  4.7765  74.885  4.4100  -5.756821      6.501025  
1 1 1 -8  79  9  o 69.009  3.2915  2592.89    246.022  2672.24    351.220  2516.45    344.725  69.715  4.6785  67.631  4.7360  2.084435       6.657179  
1 1 1 -8  79  10 o 28.965  5.6646  477.419    171.344  579.425    249.411  386.247    235.795  31.639  7.4086  26.085  7.7671  5.554064       10.73384  
1 1 1 -8  79  11 o 61.308  3.4585  2055.81    228.720  2234.20    337.061  1903.57    311.380  63.607  4.9310  58.680  4.9454  4.927406       6.983672  
1 1 1 -8  79  12 o 58.176  3.6935  1855.44    231.522  1726.03    351.241  1954.85    307.872  55.564  5.9278  59.471  4.8211  -3.906506      7.640849  
1 1 1 -8  79  13 o 65.592  3.3581  2353.54    237.774  2476.80    338.985  2234.17    333.607  66.977  4.7027  63.546  4.8844  3.430267       6.780346  
1 1 1 -8  79  14 o 125.828 3.2269  8637.48    439.779  8739.47    632.334  8541.92    612.045  126.082 4.6305  124.688 4.5320  1.393959       6.479209  
1 1 1 -8  79  15 o 30.250  6.3577  529.048    201.688  443.527    327.964  581.063    255.770  28.068  9.2774  31.455  7.5937  -3.386559      11.98896  
1 1 1 -8  79  16 o 40.132  4.9083  903.425    208.903  1076.60    319.901  774.667    275.838  43.131  7.0947  36.398  7.2515  6.732220       10.14492  
1 1 1 -8  79  17 o 36.848  5.9272  780.437    228.533  486.576    348.514  1002.11    302.696  28.819  9.5655  41.437  6.9934  -12.61792      11.84929  
1 1 1 -8  79  18 o 12.191  5.8078  -252.1493  211.645  -410.3889  320.246  -129.4393  282.010  14.569  6.9950  16.179  7.3569  -1.610096      10.15157  
1 1 1 -8  79  19 o 41.372  5.6336  986.234    245.877  1001.61    359.808  972.760    336.777  40.263  8.5168  39.905  8.0692  0.3571510      11.73235  
1 1 1 -8  79  20 o 5.2834  2.3651  -12.2826   27.854   -60.8385   348.666  -11.9708   27.943   18.789  8.3925  5.3070  2.3728  13.48166       8.721437  
1 1 1 -8  79  21 o 23.325  8.0119  317.576    244.494  134.327    375.542  452.387    322.108  21.876  9.2366  27.067  9.1975  -5.191166      13.03490  
1 1 1 -8  79  22 o 35.294  7.2962  768.071    269.698  739.172    443.457  785.034    339.754  32.781  10.786  34.699  8.9733  -1.917713      14.03040  
1 1 1 -8  79  23 o 57.467  4.8098  1891.97    296.622  1802.61    443.970  1964.03    398.654  53.769  7.8553  57.275  6.5438  -3.506046      10.22383  
1 1 1 -8  79  24 o 22.366  8.3305  281.494    270.154  466.601    425.660  156.639    349.587  27.243  10.388  21.290  8.9463  5.953146       13.70962  
1 1 1 -8  80  1  o 177.005 3.6476  17059.09   699.292  17317.57   989.910  16801.61   987.989  177.871 5.1383  175.176 5.2072  2.694931       7.315578  
1 1 1 -8  80  2  o 186.724 3.7964  18992.84   767.793  18322.87   1079.90  19677.72   1091.85  182.833 5.4533  189.527 5.3189  -6.694473      7.617671  
1 1 1 -8  80  3  o 195.264 3.8390  20774.14   811.914  20236.77   1146.75  21314.27   1149.69  192.105 5.5114  197.209 5.3825  -5.104538      7.703687  
1 1 1 -8  80  4  o 101.564 2.9552  5606.80    325.090  5401.86    452.110  5826.18    467.783  99.506  4.1949  103.343 4.1792  -3.837097      5.921412  
1 1 1 -8  80  5  o 184.698 3.6900  18583.38   738.171  18045.34   1046.00  19117.19   1041.87  181.430 5.3230  186.813 5.1492  -5.383438      7.405925  
1 1 1 -8  80  6  o 199.943 3.8885  21797.75   842.095  22140.82   1192.02  21455.95   1189.79  200.838 5.4798  197.670 5.5573  3.168320       7.804575  
1 1 1 -8  80  7  o 58.388  3.2629  1861.25    205.523  2005.44    287.180  1709.86    294.255  60.418  4.4192  55.660  4.9321  4.757881       6.622270  
1 1 1 -8  80  8  o 27.882  5.5397  441.904    161.397  517.347    226.925  364.673    229.598  29.954  7.1025  25.447  7.6843  4.506685       10.46389  
1 1 1 -8  80  9  o 63.495  3.2519  2201.23    222.888  2167.08    318.837  2233.86    311.705  62.716  4.7286  63.721  4.5462  -1.004990      6.559557  
1 1 1 -8  80  10 o 115.969 3.0950  7322.43    388.748  7318.99    552.396  7325.81    547.186  115.623 4.4110  115.690 4.3669  -0.6629944E-01 6.206944  
1 1 1 -8  80  11 o 68.069  3.2298  2524.92    238.117  2499.75    339.794  2549.20    333.784  67.342  4.6879  68.040  4.5556  -0.6986771     6.536819  
1 1 1 -8  80  12 o 34.131  5.2842  656.488    189.027  749.322    279.132  577.853    256.900  35.952  7.4145  31.473  7.6181  4.478874       10.63062  
1 1 1 -8  80  13 o 31.682  5.8321  572.715    192.756  402.027    290.006  707.797    257.991  26.824  8.7172  34.980  7.0529  -8.156408      11.21308  
1 1 1 -8  80  14 o 104.475 3.1307  5954.00    354.265  6025.67    507.726  5886.00    494.546  104.707 4.4770  103.509 4.4112  1.198532       6.285074  
1 1 1 -8  80  15 o 130.841 3.3039  9356.55    468.205  9706.14    679.140  9039.90    646.360  132.630 4.7277  128.030 4.6611  4.599655       6.639079  
1 1 1 -8  80  16 o 102.405 3.2945  5740.76    365.414  5737.45    556.137  5743.28    484.737  101.642 5.0517  102.005 4.3875  -0.3636932     6.691019  
1 1 1 -8  80  17 o 110.161 3.4512  6667.56    411.780  6742.95    628.419  6610.84    545.115  109.727 5.2877  109.077 4.6141  0.6495819      7.017803  
1 1 1 -8  80  18 o 40.278  5.1341  924.642    218.886  330.922    380.434  1218.45    267.620  25.580  9.8050  46.178  5.4562  -20.59816      11.22085  
1 1 1 -8  80  19 o 31.737  7.2752  610.188    244.736  340.732    371.258  817.270    325.464  25.511  9.7080  36.281  8.4413  -10.76952      12.86467  
1 1 1 -8  80  20 o 13.802  6.4071  -164.7420  229.656  165.117    348.966  -416.7492  305.018  21.940  9.0562  13.903  6.7135  8.037389       11.27322  
1 1 1 -8  80  21 o 26.460  7.8998  435.014    243.677  708.708    366.235  217.599    326.415  32.795  9.6587  22.247  8.9134  10.54845       13.14304  
1 1 1 -8  80  22 o 57.646  4.6476  1891.08    287.713  1816.45    438.533  1947.48    381.232  54.346  7.6628  57.434  6.2283  -3.087708      9.874761  
1 1 1 -8  80  23 o 29.703  8.0255  565.211    264.310  141.528    404.788  880.111    348.974  22.124  9.4738  36.619  8.8884  -14.49465      12.99068  
1 1 1 -8  81  1  o 101.369 3.0441  5587.06    334.222  5344.17    477.029  5821.25    468.411  98.917  4.4525  103.288 4.1870  -4.371490      6.111955  
1 1 1 -8  81  2  o 83.407  3.0719  3782.87    277.510  3647.97    385.681  3927.69    399.607  81.620  4.3787  84.701  4.3707  -3.081459      6.186818  
1 1 1 -8  81  3  o 73.431  3.1790  2933.11    252.836  2798.47    354.313  3072.81    360.905  71.408  4.6057  74.867  4.4712  -3.459343      6.419010  
1 1 1 -8  81  4  o 80.627  3.0587  3535.29    267.111  3704.51    376.283  3363.41    379.238  82.269  4.2373  78.329  4.4889  3.940796       6.172858  
1 1 1 -8  81  5  f 119.981 3.1847  7832.50    413.854  8068.51    589.985  7603.86    580.683  121.497 4.4834  117.931 4.5461  3.565552       6.384974  
1 1 1 -8  81  6  o 52.860  3.7910  1531.30    215.606  1425.91    304.895  1636.71    304.932  50.626  5.6572  54.376  5.2425  -3.750420      7.712787  
1 1 1 -8  81  7  o 64.556  3.2149  2268.62    224.786  2254.33    321.669  2282.27    314.252  64.004  4.6724  64.432  4.5319  -0.4276886     6.509186  
1 1 1 -8  81  8  o 56.515  3.3264  1745.77    202.718  1701.56    280.800  1793.90    292.958  55.535  4.7129  57.015  4.7884  -1.480289      6.718597  
1 1 1 -8  81  9  f 41.304  4.2238  942.485    186.301  854.864    268.445  1023.90    258.761  38.754  6.6340  42.733  5.7355  -3.978962      8.769589  
1 1 1 -8  81  10 o 70.141  3.2848  2681.32    249.550  2520.37    367.692  2818.77    339.792  67.529  5.0640  71.606  4.4025  -4.076973      6.710170  
1 1 1 -8  81  11 o 65.225  3.3209  2325.97    233.832  2323.81    334.891  2328.03    326.641  64.863  4.8010  64.955  4.6741  -0.9241486E-01 6.700530  
1 1 1 -8  81  12 o 74.155  3.3520  3000.45    269.229  2739.66    404.476  3207.91    360.759  70.261  5.3554  76.354  4.3806  -6.092888      6.918846  
1 1 1 -8  81  13 o 88.706  3.1581  4291.54    303.422  4198.51    439.824  4376.02    419.130  87.256  4.6708  89.297  4.3335  -2.041138      6.371481  
1 1 1 -8  81  14 o 106.850 3.1580  6232.37    365.477  6606.84    530.935  5895.13    503.852  109.576 4.4736  103.499 4.4947  6.077820       6.341515  
1 1 1 -8  81  15 o 43.110  4.5399  1036.21    208.792  1013.23    302.320  1057.16    288.702  41.863  6.9086  42.964  6.3994  -1.100731      9.417022  
1 1 1 -8  81  16 o 38.056  5.6901  828.352    227.339  1053.12    410.748  729.091    272.960  41.416  9.3751  35.049  7.4215  6.366207       11.95702  
1 1 1 -8  81  17 o 42.431  5.4124  1027.59    243.070  1114.47    381.803  968.376    315.199  42.722  8.5497  40.267  7.5032  2.454742       11.37518  
1 1 1 -8  81  18 o 98.366  3.5101  5334.71    373.967  5711.50    585.190  5074.61    486.199  100.445 5.3988  95.262  4.7122  5.182289       7.166005  
1 1 1 -8  81  19 f 67.095  4.1888  2515.19    302.884  2455.41    487.234  2552.84    386.674  64.498  7.0918  66.941  5.3785  -2.443214      8.900677  
1 1 1 -8  81  20 o 74.116  3.9655  3065.30    317.180  3246.94    485.620  2930.17    418.868  74.862  6.0405  71.534  5.4472  3.328873       8.133890  
1 1 1 -8  81  21 o 33.516  1.7836  613.837    64.514   474.982    426.522  617.088    65.265   27.905  10.453  33.603  1.7998  -5.697155      10.60657  
1 1 1 -8  81  22 o 24.443  8.0745  368.377    248.445  430.602    379.172  321.564    328.878  26.530  9.8716  23.999  9.1360  2.531250       13.45050  
1 1 1 -8  81  23 o 41.167  6.6393  1024.95    285.963  1454.58    490.226  803.358    352.069  46.341  10.056  34.731  9.2093  11.61007       13.63573  
1 1 1 -8  82  1  o 112.315 3.0357  6860.46    369.286  7011.58    526.890  6714.56    517.731  113.306 4.2933  110.877 4.3112  2.429695       6.084312  
1 1 1 -8  82  2  f 119.272 3.1010  7738.28    400.602  7603.52    562.330  7877.14    570.840  117.964 4.4012  120.071 4.3894  -2.106575      6.215908  
1 1 1 -8  82  3  o 25.339  6.4093  367.947    176.026  332.598    245.877  405.113    252.116  24.735  8.0261  26.781  8.0444  -2.046560      11.36357  
1 1 1 -8  82  4  o 32.861  5.2333  606.511    180.016  562.357    266.419  643.604    244.192  31.173  7.8851  33.499  6.9576  -2.326466      10.51587  
1 1 1 -8  82  5  o 122.815 3.1402  8208.09    417.718  8264.54    593.845  8152.80    587.688  122.935 4.4599  122.105 4.4437  0.8295593      6.295817  
1 1 1 -8  82  6  o 142.441 3.2870  11048.56   507.116  11011.63   717.373  11085.45   716.967  141.805 4.6707  142.286 4.6523  -0.4806519     6.592361  
1 1 1 -8  82  7  o 69.656  3.0761  2640.83    232.074  2628.23    325.273  2653.90    331.211  69.182  4.3633  69.507  4.4226  -0.3249817     6.212704  
1 1 1 -8  82  8  o 83.460  3.0416  3791.57    274.948  3738.50    389.610  3844.21    388.066  82.537  4.3738  83.719  4.2941  -1.181656      6.129457  
1 1 1 -8  82  9  o 89.368  3.0956  4349.50    299.640  4661.81    432.544  4061.35    415.481  92.275  4.3279  85.982  4.4769  6.292198       6.226813  
1 1 1 -8  82  10 o 44.633  4.1123  1099.14    196.559  911.693    284.968  1269.26    271.476  39.938  6.8334  47.706  5.3459  -7.767838      8.676058  
1 1 1 -8  82  11 o 164.951 3.5630  14857.84   636.564  15249.73   902.972  14470.67   897.528  166.441 5.0089  162.079 5.1127  4.362274       7.157458  
1 1 1 -8  82  12 o 179.335 3.7460  17585.74   727.621  17156.19   1037.57  18001.41   1020.66  176.197 5.4369  180.628 5.2170  -4.431458      7.535069  
1 1 1 -8  82  13 o 87.739  3.1564  4200.83    299.957  4228.33    427.034  4174.03    421.429  87.567  4.5179  87.012  4.4870  0.5548859      6.367464  
1 1 1 -8  82  14 o 34.014  5.4997  657.987    195.701  873.862    284.444  463.954    269.671  38.818  7.0239  28.130  8.2891  10.68782       10.86482  
1 1 1 -8  82  15 o 51.415  4.1716  1466.45    230.302  1343.12    349.898  1560.72    305.909  48.213  6.8970  52.625  5.4457  -4.412514      8.787796  
1 1 1 -8  82  16 o 42.421  5.3309  1022.82    239.525  960.831    375.588  1065.31    310.968  39.525  8.9779  42.629  6.9765  -3.103790      11.36985  
1 1 1 -8  82  17 o 45.322  5.1320  1166.66    247.482  833.751    389.698  1391.67    320.380  36.220  9.7276  49.071  6.1639  -12.85127      11.51610  
1 1 1 -8  82  18 o 48.563  4.9213  1335.73    255.281  1417.01    401.987  1280.79    330.473  48.447  7.9356  46.685  6.7301  1.762589       10.40520  
1 1 1 -8  82  19 o 28.565  7.3637  498.739    229.276  614.777    353.290  414.308    301.357  31.029  9.5643  26.265  8.8964  4.764063       13.06223  
1 1 1 -8  82  20 o 24.977  7.9166  380.290    240.287  373.393    357.625  385.966    324.430  25.641  9.5779  25.600  9.1932  0.4125023E-01  13.27593  
1 1 1 -8  82  21 o 39.877  6.1869  943.586    258.561  942.660    390.935  944.306    344.729  37.732  9.5557  38.493  8.4959  -0.7611618     12.78644  
1 1 1 -8  82  22 o 5.6106  2.5050  -12.5543   31.028   -63.3567   385.619  -12.2233   31.128   19.301  8.7066  5.6348  2.5130  13.66575       9.061975  
1 1 1 -8  83  1  o 65.493  3.2042  2334.57    227.292  2397.63    332.852  2279.47    311.126  66.023  4.6850  64.409  4.4879  1.614265       6.487736  
1 1 1 -8  83  2  o 90.499  3.1220  4456.65    306.014  4535.26    424.192  4371.33    441.889  91.099  4.2991  89.268  4.5858  1.830620       6.285882  
1 1 1 -8  83  3  o 132.531 3.2215  9561.49    462.435  8902.49    651.902  10228.97   656.080  127.506 4.7204  136.766 4.4290  -9.259735      6.472944  
1 1 1 -8  83  4  o 70.427  3.2438  2700.52    247.434  2691.08    356.857  2709.25    343.380  69.937  4.7390  70.220  4.5392  -0.2822723     6.562165  
1 1 1 -8  83  5  o 188.230 3.8410  19335.52   783.076  19288.44   1108.89  19382.36   1105.98  187.268 5.4671  187.738 5.4391  -0.4700775     7.711874  
1 1 1 -8  83  6  o 104.105 3.1130  5899.80    351.012  5841.27    501.176  5956.15    491.768  103.301 4.4794  104.343 4.3514  -1.042145      6.244942  
1 1 1 -8  83  7  o 52.947  3.8065  1538.15    216.837  1236.53    298.246  1876.35    315.816  46.958  6.0013  58.239  5.0569  -11.28106      7.847821  
1 1 1 -8  83  8  o 67.414  2.3834  2469.42    174.031  2142.35    312.682  2616.21    209.475  62.331  4.6654  69.347  2.7889  -7.015850      5.435470  
1 1 1 -8  83  9  o 85.308  3.0925  3964.54    285.741  4392.60    416.456  3583.76    392.779  89.551  4.2937  80.719  4.5107  8.831841       6.227525  
1 1 1 -8  83  10 o 82.254  3.1138  3687.02    277.407  3699.69    397.778  3675.01    387.067  82.001  4.4959  81.757  4.3871  0.2439957      6.281697  
1 1 1 -8  83  11 o 38.579  4.6870  829.439    191.828  856.997    278.707  804.634    264.426  38.629  6.9154  37.443  6.7694  1.185650       9.677122  
1 1 1 -8  83  12 o 55.124  3.7810  1670.64    224.379  1825.43    332.053  1540.57    304.388  57.196  5.4250  52.501  5.4314  4.694153       7.676644  
1 1 1 -8  83  13 o 131.714 3.3016  9480.27    471.011  8468.03    667.797  10482.34   664.435  123.777 4.9812  137.998 4.4454  -14.22095      6.676354  
1 1 1 -8  83  14 o 58.324  3.6969  1873.91    232.330  1625.93    336.575  2099.60    321.099  53.604  5.8945  61.381  4.8699  -7.776485      7.645943  
1 1 1 -8  83  15 o 54.095  3.8916  1620.32    226.486  1650.55    330.479  1593.56    311.005  53.917  5.7478  53.075  5.4895  0.8414955      7.948025  
1 1 1 -8  83  16 o 59.865  4.0789  1992.73    262.899  1864.32    390.594  2099.08    355.472  56.798  6.4645  60.841  5.4522  -4.043011      8.456707  
1 1 1 -8  83  17 o 81.196  3.0467  3618.19    267.940  3864.83    496.600  3516.90    318.236  82.474  5.5924  79.809  3.6815  2.664093       6.695384  
1 1 1 -8  83  18 o 29.513  7.2587  529.054    230.421  338.796    358.484  662.996    300.786  25.287  9.5594  32.609  8.4481  -7.321585      12.75744  
1 1 1 -8  83  19 o 17.430  7.2054  80.478     221.383  259.939    342.608  -48.1690   290.076  23.443  9.2153  17.308  7.6982  6.135309       12.00770  
1 1 1 -8  83  20 o 23.784  7.8751  338.833    236.273  655.894    359.898  98.677     313.224  31.630  9.6363  19.981  8.4360  11.64862       12.80723  
1 1 1 -8  83  21 o 22.894  8.0709  305.965    248.949  99.246     385.325  454.075    326.159  21.342  9.1931  26.850  9.2519  -5.508102      13.04263  
1 1 1 -8  83  22 o 22.354  8.2943  276.736    267.315  357.501    464.566  236.759    326.843  26.069  10.567  22.389  8.9371  3.679453       13.83943  
1 1 1 -8  84  1  o 74.665  3.0824  3033.96    249.277  3042.79    346.272  3024.46    359.141  74.479  4.3110  74.213  4.4891  0.2654114      6.223906  
1 1 1 -8  84  2  o 30.606  5.6373  531.255    179.991  519.081    253.262  543.680    255.849  29.940  7.7497  30.630  7.7159  -0.6895962     10.93584  
1 1 1 -8  84  3  o 33.083  5.5209  617.600    190.853  507.771    258.865  748.393    282.493  29.619  7.9171  36.022  7.4850  -6.403093      10.89523  
1 1 1 -8  84  4  o 160.590 3.4918  14057.30   607.350  14153.29   861.725  13962.55   856.148  160.612 4.9536  159.525 4.9551  1.086533       7.006490  
1 1 1 -8  84  5  o 62.991  3.4374  2169.00    233.632  2372.23    334.614  1975.67    326.352  65.618  4.7400  59.770  5.0896  5.847652       6.955015  
1 1 1 -8  84  6  o 63.516  3.4695  2206.15    237.780  2200.16    344.971  2211.58    328.199  63.080  5.0926  63.311  4.8225  -0.2311745     7.013627  
1 1 1 -8  84  7  o 44.172  4.5804  1080.82    215.957  1344.08    305.813  818.947    305.009  48.990  5.8809  37.587  7.7496  11.40302       9.728333  
1 1 1 -8  84  8  o 130.675 3.2215  9306.78    455.952  9137.30    644.659  9476.41    644.967  129.049 4.6122  131.452 4.5300  -2.402924      6.464790  
1 1 1 -8  84  9  o 121.775 3.1977  8083.38    421.766  7941.68    600.867  8221.00    592.162  120.281 4.6122  122.430 4.4656  -2.148384      6.419853  
1 1 1 -8  84  10 o 56.263  3.7831  1738.21    229.195  1654.34    350.524  1800.84    302.922  54.297  6.0640  56.996  4.9564  -2.699062      7.831811  
1 1 1 -8  84  11 o 32.964  5.6352  617.742    193.970  491.641    297.317  711.187    255.939  29.093  8.7352  35.054  6.9863  -5.961092      11.18531  
1 1 1 -8  84  12 o 62.593  3.6668  2151.78    247.508  2109.52    379.882  2182.95    326.263  61.342  5.7860  62.725  4.8398  -1.383011      7.543310  
1 1 1 -8  84  13 o 88.226  3.1896  4255.00    304.788  4000.44    435.178  4500.09    427.009  84.942  4.7492  90.365  4.3628  -5.423447      6.448943  
1 1 1 -8  84  14 o 23.142  7.1318  308.338    196.449  575.584    308.761  126.573    254.637  30.858  8.8051  19.594  7.8648  11.26370       11.80611  
1 1 1 -8  84  15 o 45.727  4.7852  1176.98    233.489  1008.89    381.486  1277.67    295.250  40.489  8.9381  47.215  5.9025  -6.725712      10.71114  
1 1 1 -8  84  16 o 26.685  7.7503  428.720    237.274  124.604    377.804  626.799    304.907  22.208  9.3146  31.855  8.6252  -9.647429      12.69472  
1 1 1 -8  84  17 o 43.260  5.2945  1069.17    242.898  815.965    373.809  1254.20    319.556  35.832  9.4837  46.301  6.5553  -10.46894      11.52880  
1 1 1 -8  84  18 f 65.718  4.1091  2411.33    291.014  2391.53    464.733  2424.11    373.256  63.808  6.8305  65.235  5.3292  -1.426731      8.663540  
1 1 1 -8  84  19 f 5.5777  2.4525  -7.5483    28.635   404.038    349.597  -10.3283   28.732   26.240  9.5264  5.4637  2.4268  20.77615       9.830655  
1 1 1 -8  84  20 o 17.539  7.2591  85.891     225.077  175.464    353.327  24.719     291.988  21.975  9.0950  18.284  7.9389  3.691296       12.07252  
1 1 1 -8  84  21 o 25.224  8.3714  393.037    266.935  977.539    460.024  96.331     327.756  37.472  10.765  20.145  8.5729  17.32763       13.76162  
1 1 1 -8  85  1  o 46.235  4.1033  1177.17    203.346  982.961    279.663  1395.03    296.199  41.693  6.3973  50.043  5.5587  -8.349838      8.474902  
1 1 1 -8  85  2  o 40.861  4.4061  924.015    191.913  879.387    269.885  969.663    272.952  39.344  6.5646  41.434  6.2790  -2.089897      9.084063  
1 1 1 -8  85  3  o 24.460  6.5967  343.027    178.770  376.315    250.202  308.309    255.519  25.903  8.0595  24.162  8.1919  1.741779       11.49187  
1 1 1 -8  85  4  o 77.552  3.2064  3276.08    269.325  3398.07    379.521  3152.33    382.262  78.645  4.4740  75.685  4.6862  2.959465       6.478976  
1 1 1 -8  85  5  o 143.252 3.3352  11185.26   517.475  11103.54   738.324  11264.16   725.486  142.241 4.7924  143.312 4.6739  -1.071289      6.694172  
1 1 1 -8  85  6  o 80.573  3.2766  3538.46    285.943  3575.12    421.918  3507.32    388.868  80.540  4.8594  79.865  4.5139  0.6744308      6.632477  
1 1 1 -8  85  7  o 109.595 3.2026  6545.74    380.155  6356.31    537.228  6735.71    538.013  107.636 4.6082  110.840 4.4815  -3.204597      6.428029  
1 1 1 -8  85  8  o 69.453  3.4484  2632.02    259.408  2778.76    367.545  2486.37    366.176  70.956  4.8109  67.028  5.0817  3.928108       6.997698  
1 1 1 -8  85  9  o 82.743  3.3013  3734.52    295.864  3629.47    427.094  3831.43    410.244  81.085  4.8859  83.420  4.5577  -2.334534      6.681684  
1 1 1 -8  85  10 o 82.062  3.1967  3673.71    284.124  3666.23    409.025  3680.68    394.968  81.520  4.6518  81.736  4.4785  -0.2157898     6.457277  
1 1 1 -8  85  11 o 112.504 3.1785  6909.06    387.312  7283.89    562.328  6570.75    534.234  115.055 4.5125  109.277 4.5137  5.777786       6.382445  
1 1 1 -8  85  12 o 69.974  3.4350  2679.53    260.336  2905.43    391.526  2500.49    348.552  72.271  5.0332  67.094  4.8287  5.177162       6.974954  
1 1 1 -8  85  13 o 71.312  3.3715  2786.55    260.412  2582.29    377.797  2971.46    359.445  67.934  5.1734  73.155  4.5592  -5.221184      6.895689  
1 1 1 -8  85  14 o 44.586  4.4565  1112.56    212.329  779.346    311.034  1403.35    290.566  35.880  8.1847  49.739  5.4848  -13.85912      9.852511  
1 1 1 -8  85  15 o 15.673  6.8591  -24.0350   221.682  -226.3608  350.336  111.072    286.284  17.173  7.9512  19.937  8.2129  -2.763847      11.43124  
1 1 1 -8  85  16 o 18.668  7.3853  131.983    221.357  -42.0297   334.004  268.275    295.595  18.798  8.3156  23.143  8.6953  -4.344770      12.03152  
1 1 1 -8  85  17 o 29.131  7.3752  516.214    232.926  510.946    357.785  520.089    306.862  28.834  9.6940  28.958  8.9117  -0.1241417     13.16783  
1 1 1 -8  85  18 o 47.761  4.9612  1298.72    252.895  1128.83    391.811  1420.04    331.101  42.370  8.8244  49.227  6.3585  -6.857109      10.87662  
1 1 1 -8  85  19 o 42.965  5.7190  1074.70    259.527  1138.79    425.883  1036.83    327.325  41.804  9.6074  41.131  7.6283  0.6727524      12.26757  
1 1 1 -8  85  20 o 29.362  7.8533  542.841    254.614  955.023    450.395  349.249    308.669  37.223  10.639  24.513  8.9434  12.71089       13.89873  
1 1 1 -8  85  21 o 15.899  7.1282  -60.1270   254.043  -398.5603  449.477  98.732     307.948  17.797  8.4745  19.747  8.3524  -1.949553      11.89874  
1 1 1 -8  86  1  o 93.526  3.0478  4762.51    308.737  4717.63    436.958  4807.25    436.283  92.828  4.3460  93.716  4.2982  -0.8887405     6.112459  
1 1 1 -8  86  2  o 78.855  3.1962  3387.46    272.980  3375.34    376.803  3400.84    396.016  78.373  4.4573  78.613  4.6720  -0.2406158     6.457214  
1 1 1 -8  86  3  f 62.683  3.4416  2149.00    232.764  1955.09    326.329  2349.82    332.104  59.418  5.1207  65.279  4.7292  -5.860790      6.970448  
1 1 1 -8  86  4  o 61.169  3.3787  2046.19    222.980  2063.88    315.432  2028.52    315.252  61.134  4.8025  60.594  4.8440  0.5393181      6.821135  
1 1 1 -8  86  5  o 93.064  3.1574  4718.70    318.262  4536.69    461.065  4884.36    439.864  90.803  4.7042  94.441  4.3002  -3.638489      6.373450  
1 1 1 -8  86  6  o 86.915  3.2336  4117.49    304.409  4395.94    447.451  3877.58    415.339  89.387  4.6376  83.952  4.5851  5.434921       6.521535  
1 1 1 -8  86  7  o 159.533 3.4819  13889.09   601.649  13942.56   850.164  13835.46   851.557  159.231 4.9295  158.604 4.9571  0.6262665      6.990939  
1 1 1 -8  86  8  o 98.008  3.1318  5236.06    332.451  4928.80    476.837  5526.68    463.749  94.718  4.6480  100.412 4.2641  -5.693779      6.307642  
1 1 1 -8  86  9  o 68.732  3.3579  2579.12    249.976  2620.45    363.063  2541.87    344.691  68.803  4.9041  67.812  4.7225  0.9912796      6.808236  
1 1 1 -8  86  10 o 25.924  2.3445  368.470    65.119   665.236    290.763  352.799    66.816   33.566  8.0923  25.346  2.4651  8.220558       8.459416  
1 1 1 -8  86  11 f 32.563  5.7425  606.708    195.133  695.466    291.259  534.424    262.843  34.257  7.9956  30.053  7.9516  4.203650       11.27646  
1 1 1 -8  86  12 o 62.827  3.7186  2174.63    251.919  1879.36    375.014  2417.45    340.078  57.551  6.1096  65.890  4.7982  -8.339012      7.768558  
1 1 1 -8  86  13 o 22.580  7.3558  288.233    206.448  451.574    313.607  163.310    274.258  27.729  9.0676  20.763  8.2185  6.965778       12.23788  
1 1 1 -8  86  14 o 27.564  6.9447  453.238    207.242  191.361    304.473  679.297    282.885  21.865  8.6579  33.476  7.9249  -11.61042      11.73729  
1 1 1 -8  86  15 o 65.699  3.9327  2394.97    278.560  2474.73    411.729  2327.64    378.280  65.862  5.8320  64.037  5.5075  1.824982       8.021557  
1 1 1 -8  86  16 o 48.640  4.9544  1339.63    257.363  1207.03    392.608  1439.55    340.798  44.371  8.4784  49.701  6.4854  -5.329716      10.67450  
1 1 1 -8  86  17 o 68.449  4.1245  2614.82    304.355  2626.61    487.797  2607.31    389.462  66.931  6.8244  67.671  5.3574  -0.7406387     8.676072  
1 1 1 -8  86  18 o 20.849  7.7394  222.951    232.790  -117.6568  381.287  425.365    293.931  18.884  8.5745  26.399  8.7856  -7.514727      12.27639  
1 1 1 -8  86  19 o 17.687  7.2951  90.597     226.214  -58.5145   354.334  193.184    293.903  18.791  8.4221  21.222  8.4737  -2.431561      11.94720  
1 1 1 -8  86  20 o 57.836  4.5395  1895.45    282.081  1945.07    448.270  1862.92    362.950  56.533  7.5065  56.401  6.0351  0.1321068      9.631729  
1 1 1 -8  87  1  o 47.928  3.9041  1263.47    200.903  1202.78    306.448  1309.22    266.054  46.188  6.2893  48.526  5.1403  -2.338020      8.122725  
1 1 1 -8  87  2  o 26.067  6.1002  390.859    169.178  418.127    253.211  368.871    227.376  27.038  8.0484  25.477  7.6366  1.560837       11.09480  
1 1 1 -8  87  3  o 141.768 3.3015  10956.25   506.938  10859.46   719.716  11051.54   714.153  140.656 4.7243  141.926 4.6458  -1.269821      6.625856  
1 1 1 -8  87  4  o 162.494 3.5329  14408.70   621.780  14201.96   877.027  14617.64   881.651  160.693 5.0390  163.051 4.9923  -2.357788      7.093294  
1 1 1 -8  87  5  o 64.216  3.5265  2257.17    244.337  2161.69    361.747  2337.27    331.342  62.391  5.4066  65.077  4.7333  -2.685257      7.185796  
1 1 1 -8  87  6  o 55.600  3.8839  1698.44    232.423  1802.96    351.342  1617.11    309.931  56.812  5.7907  53.890  5.3819  2.922249       7.905540  
1 1 1 -8  87  7  o 102.760 3.1954  5758.43    355.643  5515.65    508.983  5990.04    497.138  100.171 4.6913  104.485 4.3929  -4.314041      6.426929  
1 1 1 -8  87  8  o 148.281 3.3935  12007.13   545.005  12320.15   771.267  11694.95   770.241  149.601 4.7599  145.695 4.8811  3.906189       6.817742  
1 1 1 -8  87  9  o 99.043  3.1369  5353.30    336.507  5696.48    483.893  5031.90    468.277  101.796 4.3888  95.631  4.5210  6.165596       6.300886  
1 1 1 -8  87  10 o 31.719  6.0868  579.625    201.507  948.565    316.179  327.269    261.495  40.305  7.5194  24.478  8.2872  15.82711       11.19009  
1 1 1 -8  87  11 o 55.847  3.9042  1722.48    234.676  1835.73    357.588  1636.80    311.027  56.986  5.8780  53.961  5.3940  3.025028       7.977819  
1 1 1 -8  87  12 o 59.366  3.9615  1950.45    253.255  2150.20    396.300  1812.56    329.260  61.508  6.0261  56.686  5.4292  4.821915       8.111094  
1 1 1 -8  87  13 o 16.599  6.7772  72.903     192.783  -178.4891  279.655  300.549    266.120  15.545  7.1646  23.572  8.3408  -8.026335      10.99548  
1 1 1 -8  87  14 o 45.607  4.8865  1173.89    237.619  1148.58    365.012  1192.51    313.033  43.704  8.0061  45.259  6.5784  -1.554928      10.36210  
1 1 1 -8  87  15 o 80.805  3.5750  3599.91    312.881  3774.08    459.212  3449.00    427.454  81.779  5.2116  78.249  5.0709  3.529930       7.271514  
1 1 1 -8  87  16 o 52.985  2.4403  1534.14    140.045  1302.14    434.746  1561.01    147.931  45.657  9.1107  53.423  2.5566  -7.766129      9.462563  
1 1 1 -8  87  17 o 19.054  7.6888  128.799    244.782  227.365    375.572  56.009     322.750  23.469  9.5052  19.707  8.4498  3.762289       12.71800  
1 1 1 -8  87  18 o 18.693  7.5939  119.971    240.513  136.929    381.582  108.794    309.802  22.052  9.3109  20.130  8.4384  1.922689       12.56582  
1 1 1 -8  87  19 f 33.352  7.4162  687.046    260.970  456.109    422.171  829.868    332.001  27.579  10.386  36.033  8.6222  -8.454241      13.49838  
1 1 1 -8  87  20 o 70.008  2.9719  2700.62    225.348  2259.63    479.002  2825.96    255.373  61.077  7.3913  71.471  3.2989  -10.39463      8.094125  
1 1 1 -8  88  1  o 74.935  3.1954  3060.27    259.344  2896.92    382.236  3199.61    353.036  72.442  4.9004  76.313  4.2886  -3.871696      6.511991  
1 1 1 -8  88  2  o 76.177  3.1296  3161.76    258.217  3087.53    372.038  3230.76    358.677  74.876  4.6099  76.671  4.3370  -1.795784      6.329336  
1 1 1 -8  88  3  o 42.073  4.2938  979.488    192.924  983.705    282.272  975.791    264.287  41.620  6.4721  41.567  6.0476  0.5282974E-01  8.857832  
1 1 1 -8  88  4  o 73.605  3.2765  2954.43    261.209  3042.37    362.775  2859.75    376.414  74.327  4.5279  71.963  4.8578  2.364494       6.640755  
1 1 1 -8  88  5  o 47.235  4.2277  1232.19    214.006  1526.68    324.814  1006.29    284.481  52.197  5.8458  42.080  6.4473  10.11695       8.702914  
1 1 1 -8  88  6  o 65.612  3.5402  2358.55    250.655  2411.05    367.922  2313.08    342.411  65.908  5.1962  64.626  4.9290  1.282005       7.162038  
1 1 1 -8  88  7  o 32.591  5.9179  607.006    201.202  718.005    298.844  514.973    272.117  34.932  8.0622  29.633  8.2004  5.298811       11.49981  
1 1 1 -8  88  8  f 139.671 3.3231  10657.46   502.713  10694.47   710.161  10620.29   711.728  139.303 4.7068  138.805 4.7341  0.4979706      6.675758  
1 1 1 -8  88  9  o 140.525 3.3369  10799.21   507.887  10788.05   729.007  10809.73   707.975  139.718 4.8174  139.942 4.6709  -0.2243805     6.710009  
1 1 1 -8  88  10 o 83.260  3.2169  3792.38    290.095  4172.85    418.468  3440.37    402.510  86.825  4.4650  78.705  4.7440  8.120430       6.514693  
1 1 1 -8  88  11 o 25.292  7.2250  376.522    207.772  633.332    348.311  234.667    258.872  32.203  9.4010  22.012  8.1634  10.19027       12.45069  
1 1 1 -8  88  12 o 19.866  7.3418  189.890    209.028  -160.8047  347.796  388.195    261.533  17.871  8.1431  25.765  8.2691  -7.894814      11.60554  
1 1 1 -8  88  13 f 36.647  5.5315  770.552    212.723  599.323    307.565  927.575    294.530  31.243  8.7440  39.617  7.1261  -8.374008      11.28004  
1 1 1 -8  88  14 o 62.444  3.9608  2165.00    266.498  1949.89    404.307  2330.26    354.380  58.027  6.5475  64.266  5.1340  -6.239540      8.320323  
1 1 1 -8  88  15 f 40.900  5.9246  968.828    254.809  929.102    403.813  995.111    328.457  38.152  9.7390  40.583  7.7551  -2.431465      12.44952  
1 1 1 -8  88  16 o ?       ?       -278.4980  30.951   192.528    361.984  -281.9669  31.065   22.735  9.2851  ?       ?       0.000000       9.285114  
1 1 1 -8  88  17 o 20.461  7.8906  193.866    247.402  -49.1208   381.078  370.896    325.271  19.680  8.7835  25.408  9.1944  -5.727886      12.71558  
1 1 1 -8  88  18 o 32.205  7.7953  646.263    268.988  496.439    448.950  730.166    335.967  28.576  10.720  33.635  9.0316  -5.058975      14.01753  
1 1 1 -8  88  19 o 39.581  6.5248  935.333    269.970  944.563    435.239  929.560    344.182  37.347  10.384  38.275  8.5214  -0.9277763     13.43271  
1 1 1 -8  89  1  o 41.590  4.5733  960.834    202.609  1029.93    297.745  901.248    276.499  42.508  6.6880  39.714  6.6642  2.793919       9.441422  
1 1 1 -8  89  2  o 38.345  4.6902  819.588    190.732  928.231    274.421  718.062    265.282  40.363  6.4977  35.209  7.1993  5.153954       9.697933  
1 1 1 -8  89  3  o 40.106  4.4673  893.464    190.756  873.145    280.407  910.967    260.257  38.996  6.8909  40.056  6.1991  -1.059292      9.268980  
1 1 1 -8  89  4  o 36.946  5.0012  765.154    194.984  712.597    265.650  826.541    287.097  35.038  7.2396  37.788  7.2787  -2.749939      10.26602  
1 1 1 -8  89  5  o 73.911  3.2699  2981.49    261.770  2956.89    375.801  3004.67    364.839  73.139  4.7700  73.786  4.5879  -0.6467514     6.618291  
1 1 1 -8  89  6  o 105.262 3.2170  6048.21    366.772  6043.95    512.960  6052.67    524.626  104.824 4.5181  104.863 4.6191  -0.3902435E-01 6.461351  
1 1 1 -8  89  7  o 23.560  7.0398  317.685    193.451  409.219    288.812  243.200    260.532  26.863  8.6968  22.448  8.2125  4.415588       11.96160  
1 1 1 -8  89  8  o 54.494  3.9913  1639.62    233.936  1728.64    340.043  1559.62    322.337  55.406  5.7501  52.601  5.7515  2.805668       8.132869  
1 1 1 -8  89  9  o 90.885  3.2919  4521.32    324.051  4602.22    467.641  4446.59    449.454  91.054  4.7583  89.546  4.6501  1.507523       6.653227  
1 1 1 -8  89  10 f 36.670  5.4258  766.256    208.991  522.343    320.191  947.299    275.855  29.525  9.1060  40.450  6.5180  -10.92406      11.19836  
1 1 1 -8  89  11 o 19.715  7.3518  182.241    210.531  19.643     309.339  322.542    287.347  19.135  8.2397  24.412  8.6640  -5.277187      11.95650  
1 1 1 -8  89  12 o 59.749  3.7811  1975.43    243.432  1950.45    354.325  1997.77    335.016  58.611  5.6516  59.508  5.2517  -0.8967323     7.714961  
1 1 1 -8  89  13 o 60.357  3.9505  2021.71    256.832  1789.53    383.605  2210.34    345.765  55.640  6.4872  62.608  5.1445  -6.967541      8.279434  
1 1 1 -8  89  14 o 52.749  4.5763  1562.40    258.862  1604.69    386.560  1528.02    348.555  52.270  7.0041  51.307  6.4123  0.9632607      9.496052  
1 1 1 -8  89  15 o 24.591  7.8007  359.295    233.262  215.931    354.565  468.692    309.728  23.062  9.2722  27.730  9.0086  -4.667728      12.92780  
1 1 1 -8  89  16 o 50.509  4.9556  1449.48    267.609  1447.95    404.813  1450.67    356.659  48.800  7.9312  49.530  6.8301  -0.7299767     10.46684  
1 1 1 -8  89  17 o 57.120  4.8629  1852.22    297.990  2180.57    474.719  1638.71    382.803  60.263  7.4304  52.512  6.8974  7.751343       10.13825  
1 1 1 -8  89  18 o 25.460  8.3244  396.293    264.312  107.082    422.542  582.199    338.774  22.358  9.6288  30.044  9.3832  -7.686504      13.44460  
1 1 1 -8  89  19 o 60.082  4.8080  2052.00    310.261  2055.08    524.555  2050.35    384.784  57.211  8.7429  59.237  6.0837  -2.025715      10.65126  
1 1 1 -8  90  1  o 38.594  4.9037  833.256    200.355  607.380    293.445  1030.51    274.219  32.088  8.3596  42.646  6.1115  -10.55820      10.35536  
1 1 1 -8  90  2  o 64.730  3.3277  2293.55    232.515  2075.29    319.840  2538.18    338.615  61.188  4.8663  67.772  4.6410  -6.584362      6.724571  
1 1 1 -8  90  3  o 16.003  6.3932  76.286     167.393  -15.6235   249.990  150.989    225.378  17.032  7.3705  19.551  7.5336  -2.519165      10.53939  
1 1 1 -8  90  4  o 63.413  3.5258  2205.32    241.208  2341.56    336.088  2060.61    346.382  65.006  4.8075  60.805  5.3129  4.201035       7.165131  
1 1 1 -8  90  5  o 36.984  5.0165  768.752    195.761  956.279    285.967  603.374    268.548  40.806  6.7031  31.985  7.8178  8.821070       10.29804  
1 1 1 -8  90  6  o 44.396  4.3857  1095.26    208.129  953.328    300.352  1226.36    288.673  40.559  7.0956  46.566  5.8529  -6.006920      9.198072  
1 1 1 -8  90  7  o 58.517  3.6844  1885.06    232.324  2080.55    330.778  1694.74    326.377  61.067  5.0463  54.896  5.5662  6.171253       7.513156  
1 1 1 -8  90  8  o 56.589  3.9316  1769.53    239.482  1866.60    348.406  1682.59    329.723  57.528  5.6651  54.596  5.6581  2.932358       8.006727  
1 1 1 -8  90  9  o 67.782  3.4412  2527.06    251.808  2834.86    367.921  2255.84    345.369  71.298  4.7922  63.457  5.0673  7.841679       6.974399  
1 1 1 -8  90  10 o 32.409  6.3072  613.499    213.428  629.762    352.625  604.097    268.116  32.002  9.4915  31.666  7.8552  0.3353729      12.32038  
1 1 1 -8  90  11 o 44.844  4.5385  1127.17    217.406  1033.84    322.050  1205.31    294.685  41.807  7.3822  45.795  6.0923  -3.988819      9.571459  
1 1 1 -8  90  12 f 90.734  3.2461  4519.35    319.012  4562.79    459.380  4478.89    443.348  90.387  4.7087  89.622  4.5826  0.7652435      6.570537  
1 1 1 -8  90  13 o 100.487 3.3635  5554.39    366.076  5734.75    525.025  5383.74    510.692  101.307 4.7849  98.145  4.8042  3.161537       6.780517  
1 1 1 -8  90  14 o 48.308  4.9304  1320.95    254.353  1609.87    383.068  1093.14    340.161  52.350  6.9261  42.634  7.6475  9.715866       10.31769  
1 1 1 -8  90  15 o 54.115  4.5652  1648.69    265.078  1875.43    398.587  1468.88    354.950  56.605  6.6267  49.966  6.7300  6.638947       9.444875  
1 1 1 -8  90  16 o 39.536  6.1234  917.151    253.738  981.777    393.072  870.982    332.231  39.077  9.4014  37.315  8.4204  1.762539       12.62100  
1 1 1 -8  90  17 o 37.044  7.1457  832.553    276.315  811.529    450.302  845.250    349.942  34.610  10.819  36.312  8.9540  -1.702202      14.04403  
1 1 1 -8  90  18 o 45.179  2.5553  1122.21    124.526  1622.38    454.809  1081.67    129.474  50.963  8.5418  44.311  2.7108  6.652580       8.961601  
1 1 1 -8  91  1  o 22.567  6.7514  290.369    177.843  325.754    249.758  253.976    253.295  24.330  8.0987  22.567  8.1210  1.762980       11.46907  
1 1 1 -8  91  2  o 63.140  3.3765  2185.59    230.075  2004.67    315.912  2389.93    335.743  60.055  4.8995  65.652  4.7537  -5.597538      6.826631  
1 1 1 -8  91  3  o 50.552  3.8475  1409.25    209.084  1339.92    305.379  1470.43    286.867  48.695  5.9112  51.261  5.2405  -2.565964      7.899671  
1 1 1 -8  91  4  o 99.552  3.1277  5413.55    337.244  5517.06    474.290  5307.70    479.625  100.090 4.3751  98.120  4.5131  1.969841       6.285647  
1 1 1 -8  91  5  o 99.183  3.1966  5377.79    343.400  5498.82    482.158  5253.20    489.200  99.853  4.4582  97.527  4.6312  2.325211       6.428313  
1 1 1 -8  91  6  o 39.772  4.7999  887.673    202.582  993.814    293.548  791.155    279.925  41.451  6.7723  36.709  7.2975  4.742245       9.955747  
1 1 1 -8  91  7  o 42.130  4.6344  993.827    207.975  886.499    296.609  1097.63    291.695  38.837  7.3197  43.710  6.3469  -4.872940      9.688185  
1 1 1 -8  91  8  o 89.277  3.2188  4366.88    311.249  4358.27    438.594  4375.61    441.768  88.552  4.5887  88.716  4.6134  -0.1640625     6.506883  
1 1 1 -8  91  9  o 36.054  5.4965  743.764    207.850  901.649    325.699  635.287    269.970  38.753  8.0237  32.508  7.7727  6.245342       11.17113  
1 1 1 -8  91  10 o 24.154  7.1303  342.739    199.384  503.168    316.461  237.137    256.752  28.915  9.0752  21.950  8.1320  6.964540       12.18556  
1 1 1 -8  91  11 o 53.951  4.1256  1619.20    239.246  1615.16    365.226  1622.24    316.641  52.868  6.5161  53.439  5.5517  -0.5701866     8.560421  
1 1 1 -8  91  12 o 43.432  4.9745  1068.05    229.789  1059.29    353.444  1074.46    302.430  41.851  8.0900  42.818  6.7443  -0.9674683     10.53247  
1 1 1 -8  91  13 o 17.292  7.0055  91.753     204.076  -43.8057   305.191  201.389    274.463  17.965  7.9478  21.352  8.2894  -3.387218      11.48395  
1 1 1 -8  91  14 o 52.465  4.7661  1553.97    267.880  1600.56    417.905  1521.48    349.014  51.646  7.7067  51.068  6.4540  0.5780716      10.05218  
1 1 1 -8  91  15 o 22.074  7.9565  263.674    243.236  200.786    394.312  302.304    309.039  23.394  9.6381  23.854  8.9048  -0.4595566     13.12211  
1 1 1 -8  91  16 o 18.333  7.5982  91.522     247.105  61.815     414.286  107.927    307.864  21.729  9.4457  20.105  8.4192  1.624033       12.65321  
1 1 1 -8  91  17 o 15.747  7.0518  -64.3795   247.837  -57.8931   385.508  -68.9488   323.561  19.619  8.7896  17.926  8.0404  1.692438       11.91237  
1 1 1 -8  92  1  o 35.902  5.0106  727.094    189.533  898.585    292.756  603.349    248.685  39.278  7.1447  31.995  7.3331  7.283205       10.23826  
1 1 1 -8  92  2  o 15.456  1.6460  131.157    27.130   138.611    27.327   -382.2191  226.781  15.898  1.6091  11.630  5.6563  4.268636       5.880697  
1 1 1 -8  92  3  o 80.321  3.2200  3528.74    280.125  3588.68    394.976  3468.08    397.347  80.484  4.5496  79.072  4.6601  1.411949       6.512733  
1 1 1 -8  92  4  o 72.791  3.2483  2899.67    256.095  3069.83    367.153  2738.44    357.391  74.383  4.5795  70.183  4.7291  4.200722       6.583042  
1 1 1 -8  92  5  o 15.424  6.3819  46.126     173.898  0.0709     250.318  89.087     241.762  17.165  7.4017  18.521  7.5788  -1.355869      10.59355  
1 1 1 -8  92  6  o 17.915  6.9977  121.879    196.517  -196.7888  317.613  319.545    250.147  16.637  7.6557  23.969  8.1054  -7.331863      11.14932  
1 1 1 -8  92  7  o 52.719  4.0523  1541.79    229.614  1940.63    337.017  1196.26    313.683  58.688  5.3611  45.504  6.5537  13.18475       8.467084  
1 1 1 -8  92  8  o 46.407  4.3712  1202.26    217.125  1457.64    307.476  948.255    306.648  50.638  5.7056  40.075  7.3351  10.56351       9.292871  
1 1 1 -8  92  9  o 38.935  5.0597  859.118    208.329  931.970    311.524  800.179    280.202  39.599  7.5387  36.722  7.3020  2.876659       10.49529  
1 1 1 -8  92  10 o 84.199  3.2544  3890.64    296.793  3913.77    428.952  3869.40    411.077  83.704  4.7510  83.320  4.5726  0.3837891      6.593997  
1 1 1 -8  92  11 o 48.555  4.4626  1320.82    232.065  1421.87    355.618  1245.87    306.264  49.344  6.8377  46.418  6.2506  2.925808       9.264091  
1 1 1 -8  92  12 o 25.401  7.1742  385.854    206.065  275.280    303.806  480.071    280.436  23.433  8.8131  28.085  8.4951  -4.652437      12.24079  
1 1 1 -8  92  13 o 29.039  7.1275  509.269    222.511  522.863    321.210  496.728    308.530  29.080  9.1456  28.432  8.9663  0.6480885      12.80768  
1 1 1 -8  92  14 o 16.854  7.0875  50.907     219.669  -181.3837  324.935  246.433    298.114  16.768  7.7263  22.583  8.6741  -5.814863      11.61616  
1 1 1 -8  92  15 o 42.442  5.6816  1043.54    254.624  944.489    387.657  1118.69    337.681  38.324  9.4086  42.976  7.5289  -4.652943      12.05009  
1 1 1 -8  92  16 o 29.411  7.6933  535.240    247.875  336.946    386.730  673.504    322.930  25.391  9.8447  32.487  8.9101  -7.095652      13.27809  
1 1 1 -8  92  17 o 22.007  8.1865  254.330    260.741  249.104    423.465  257.521    330.908  24.422  10.016  23.147  9.0697  1.274733       13.51233  
1 1 1 -8  93  1  o 21.903  6.8953  272.074    182.536  203.077    276.207  325.573    243.218  21.699  8.3458  24.084  7.9907  -2.385239      11.55440  
1 1 1 -8  93  2  o 56.761  3.6563  1776.51    223.590  1680.05    332.455  1856.16    302.126  54.496  5.7177  57.630  4.8863  -3.133968      7.521193  
1 1 1 -8  93  3  f 43.019  4.5610  1035.32    209.271  949.949    294.326  1122.61    297.609  40.341  6.9895  44.166  6.4086  -3.824951      9.482749  
1 1 1 -8  93  4  o 28.059  6.1749  460.113    182.572  689.079    264.441  251.570    252.372  34.083  7.3775  22.299  8.0943  11.78341       10.95195  
1 1 1 -8  93  5  o 49.654  4.0284  1367.98    214.781  1459.27    308.978  1282.61    298.770  50.697  5.7274  47.406  5.9498  3.290497       8.258578  
1 1 1 -8  93  6  o 29.876  6.3963  523.417    200.732  509.585    303.166  534.214    267.857  29.119  8.8382  29.787  8.0923  -0.6677837     11.98327  
1 1 1 -8  93  7  o 62.276  3.5625  2138.11    239.297  2010.48    334.839  2271.34    342.111  59.777  5.2242  63.658  5.0022  -3.880955      7.232841  
1 1 1 -8  93  8  o 19.305  7.0227  183.449    190.122  239.763    269.572  127.715    268.179  22.254  8.3150  19.888  8.0399  2.365915       11.56631  
1 1 1 -8  93  9  o 31.413  6.4525  580.184    212.190  656.189    334.407  528.958    274.536  32.599  9.1154  29.531  8.2599  3.068462       12.30109  
1 1 1 -8  93  10 o 53.420  4.0084  1586.42    230.232  1658.21    339.644  1525.38    313.161  53.824  5.9242  51.711  5.6852  2.113365       8.210831  
1 1 1 -8  93  11 o 95.214  3.2211  4979.77    332.179  5127.58    478.643  4842.44    461.378  95.912  4.6075  93.229  4.5691  2.682968       6.488959  
1 1 1 -8  93  12 o 16.558  6.8486  64.067     200.152  72.180     297.888  57.389     270.242  19.479  8.2257  18.501  7.8249  0.9779644      11.35309  
1 1 1 -8  93  13 o 50.365  4.7544  1432.96    256.284  1234.27    384.593  1591.66    343.722  44.945  8.2026  52.390  6.1761  -7.445099      10.26775  
1 1 1 -8  93  14 o 52.949  4.5488  1580.01    258.333  1869.30    379.751  1330.82    352.452  56.661  6.2943  47.264  7.1048  9.397484       9.491910  
1 1 1 -8  93  15 o 30.847  7.4396  583.831    245.678  552.705    377.897  606.616    323.331  29.563  9.9626  30.867  9.0709  -1.304325      13.47348  
1 1 1 -8  93  16 o 30.388  7.6226  570.419    250.451  956.095    393.447  307.681    324.741  38.415  9.5074  24.066  9.0982  14.34900       13.15938  
1 1 1 -8  94  1  o 48.050  2.0798  1256.39    108.237  1276.19    116.435  1130.44    293.657  48.410  2.2206  44.334  6.2920  4.076195       6.672388  
1 1 1 -8  94  2  o 89.955  3.1398  4430.83    305.916  4893.41    447.723  4025.77    418.968  94.040  4.3957  85.114  4.5613  8.925385       6.334653  
1 1 1 -8  94  3  o 40.136  4.6394  904.513    197.963  842.459    268.213  978.771    293.404  37.983  6.7678  40.972  6.8537  -2.989227      9.632063  
1 1 1 -8  94  4  o 17.465  6.6482  129.272    174.147  71.582     252.496  181.612    240.505  18.443  7.6654  20.403  7.8018  -1.959620      10.93735  
1 1 1 -8  94  5  o 41.654  4.6047  973.400    204.272  942.214    294.315  1002.39    283.744  40.089  7.0349  41.592  6.5123  -1.503742      9.586452  
1 1 1 -8  94  6  o 78.887  3.3261  3414.04    284.189  3297.34    413.707  3518.32    391.057  76.758  5.0035  79.514  4.5598  -2.755539      6.769581  
1 1 1 -8  94  7  o 40.395  4.9687  922.401    212.809  861.185    310.707  976.495    292.072  37.909  7.8265  40.860  6.8416  -2.950573      10.39527  
1 1 1 -8  94  8  o 65.305  3.6739  2355.77    258.809  2357.44    375.918  2354.26    356.849  64.594  5.4234  64.688  5.1355  -0.9418488E-01 7.469021  
1 1 1 -8  94  9  o 72.662  3.5577  2906.44    279.988  3371.87    421.446  2538.72    374.607  77.481  5.0496  67.118  5.1935  10.36309       7.243665  
1 1 1 -8  94  10 o 52.009  4.1086  1507.25    229.561  1411.92    339.115  1587.89    311.889  49.305  6.5093  52.804  5.5357  -3.499004      8.544838  
1 1 1 -8  94  11 o 70.589  3.5009  2746.19    267.659  2517.48    389.730  2950.37    368.238  66.573  5.4529  72.518  4.7139  -5.944939      7.207943  
1 1 1 -8  94  12 o 26.816  7.2813  435.089    216.932  473.054    335.826  407.903    284.177  27.942  9.3918  26.144  8.6357  1.797453       12.75852  
1 1 1 -8  94  13 o 78.984  3.5668  3447.11    305.135  3716.22    436.416  3189.74    426.797  81.104  4.9923  74.926  5.2933  6.178123       7.276115  
1 1 1 -8  94  14 o 107.244 3.3833  6348.12    392.995  6522.64    566.221  6185.91    545.892  107.639 4.8568  104.865 4.8062  2.773941       6.832870  
1 1 1 -8  94  15 o 61.244  4.2601  2103.20    280.829  1782.25    418.126  2366.97    379.048  54.629  7.2455  64.277  5.4976  -9.648010      9.095052  
1 1 1 -8  95  1  o 13.806  6.0262  -22.4331   170.109  -59.6881   265.811  3.4079     221.378  16.687  7.3982  16.211  6.9757  0.4756145      10.16825  
1 1 1 -8  95  2  o 33.167  6.1454  638.904    212.630  839.491    301.328  439.972    300.083  37.540  7.6700  27.379  8.8650  10.16166       11.72254  
1 1 1 -8  95  3  f 22.748  1.4419  282.026    35.342   286.477    35.750   90.118     234.747  22.927  1.4471  18.279  7.4725  4.648138       7.611361  
1 1 1 -8  95  4  o 40.856  4.6005  937.086    200.036  1000.20    287.776  878.081    278.252  41.486  6.6275  38.715  6.8881  2.770527       9.558781  
1 1 1 -8  95  5  o 70.639  3.5752  2750.26    272.643  2889.52    371.427  2587.57    401.473  71.916  4.7960  67.699  5.5234  4.217049       7.314998  
1 1 1 -8  95  6  o 57.213  4.0433  1816.57    248.938  1648.71    355.370  1978.31    348.823  53.606  6.2372  59.124  5.5107  -5.517632      8.322919  
1 1 1 -8  95  7  o 32.011  6.4384  602.128    215.492  600.980    298.902  603.371    310.959  31.338  8.5627  31.354  8.7981  -0.1556969E-01 12.27712  
1 1 1 -8  95  8  o 51.064  4.2921  1455.39    235.185  1615.42    344.388  1315.53    321.950  53.046  6.1055  47.679  6.3956  5.367634       8.841983  
1 1 1 -8  95  9  o 95.453  3.2463  5005.11    335.625  4897.85    482.975  5105.28    466.733  93.542  4.7830  95.781  4.4990  -2.238907      6.566444  
1 1 1 -8  95  10 o 78.253  3.4597  3372.80    293.231  3398.20    437.230  3352.04    395.313  77.558  5.2356  77.313  4.7438  0.2449646      7.065005  
1 1 1 -8  95  11 o 56.238  4.0958  1764.23    247.771  1844.32    380.110  1705.06    326.720  56.405  6.3311  54.600  5.6042  1.805576       8.455233  
1 1 1 -8  95  12 o 63.280  4.1346  2235.23    281.822  2380.14    436.828  2131.91    368.853  64.029  6.3840  61.019  5.6450  3.009830       8.521860  
1 1 1 -8  95  13 o 24.211  7.7271  349.407    228.615  248.434    327.837  444.989    318.966  23.071  9.0309  27.088  9.1527  -4.017094      12.85803  
1 1 1 -8  95  14 o 33.937  7.3716  701.244    263.205  854.497    393.555  577.227    354.031  36.257  9.7917  30.155  9.6149  6.101889       13.72309  
1 1 1 -8  96  1  o 82.268  3.1402  3708.30    279.804  3526.78    398.238  3885.27    393.215  79.560  4.6416  83.657  4.3548  -4.096451      6.364607  
1 1 1 -8  96  2  o 66.105  3.5767  2409.34    255.137  2402.09    368.464  2416.02    353.629  65.343  5.2506  65.642  5.0118  -0.2981339     7.258544  
1 1 1 -8  96  3  o 71.792  3.2538  2826.89    253.008  2749.98    357.615  2903.97    358.000  70.171  4.7329  72.176  4.6036  -2.004189      6.602528  
1 1 1 -8  96  4  o 72.422  3.5030  2883.27    274.775  3065.15    374.784  2671.89    404.043  74.099  4.6941  68.795  5.4676  5.304085       7.206181  
1 1 1 -8  96  5  o 64.660  3.6105  2307.77    251.846  2125.79    350.193  2502.71    362.452  61.372  5.3209  66.755  5.0504  -5.382076      7.336077  
1 1 1 -8  96  6  f 99.154  3.2064  5393.99    344.350  5623.32    479.410  5149.56    494.931  100.670 4.3968  96.141  4.7530  4.528297       6.474764  
1 1 1 -8  96  7  o 89.114  3.3985  4365.79    328.019  4199.88    470.943  4522.12    457.143  86.496  5.0489  89.968  4.7077  -3.472343      6.903139  
1 1 1 -8  96  8  o 54.505  4.1130  1654.85    241.019  1753.33    350.406  1566.42    332.040  55.304  5.9431  52.227  5.9775  3.076660       8.429190  
1 1 1 -8  96  9  o 13.039  6.0210  -138.3502  198.881  -276.7651  325.043  -55.5228   251.441  15.878  7.4527  16.153  7.1769  -0.2750292     10.34652  
1 1 1 -8  96  10 f 14.744  6.5130  -39.0288   204.179  167.509    328.015  -169.6776  260.883  21.764  8.8579  14.927  6.8936  6.837273       11.22427  
1 1 1 -8  96  11 o 21.917  7.5350  268.825    216.281  270.018    368.249  268.196    267.227  24.205  9.5415  22.604  8.3101  1.600876       12.65301  
1 1 1 -8  96  12 f 17.452  7.2954  65.376     230.597  217.529    380.159  -23.1978   290.052  23.452  9.5395  17.719  7.7979  5.733334       12.32108  
1 1 1 -8  96  13 f 33.051  7.0836  659.745    245.949  690.887    369.955  635.080    329.242  32.760  9.7231  31.645  9.1120  1.115616       13.32545  
1 1 1 -8  97  1  o 55.405  3.8559  1700.69    229.947  1577.62    328.114  1819.46    322.352  52.584  5.8608  56.761  5.3049  -4.176846      7.905074  
1 1 1 -8  97  2  o 66.278  3.4763  2420.94    248.678  2487.03    369.984  2366.48    335.857  66.488  5.1786  65.017  4.8033  1.470573       7.063265  
1 1 1 -8  97  3  o 16.825  6.5968  105.539    175.153  -12.5581   240.632  238.615    255.437  16.541  7.1945  21.938  8.1143  -5.396591      10.84449  
1 1 1 -8  97  4  o 46.427  4.4120  1206.07    219.195  1126.48    303.522  1292.82    316.885  44.017  6.5675  47.310  6.3439  -3.293694      9.131131  
1 1 1 -8  97  5  o 31.825  6.1651  592.485    204.833  426.780    313.218  716.305    270.754  26.997  9.0701  34.572  7.4503  -7.575474      11.73776  
1 1 1 -8  97  6  o 23.480  6.8722  324.930    185.911  177.964    260.173  478.267    265.752  20.624  8.0529  28.089  8.2149  -7.465002      11.50364  
1 1 1 -8  97  7  o 46.833  4.5082  1231.14    225.855  1020.29    305.085  1486.82    335.956  41.560  7.0282  50.739  6.2450  -9.179474      9.401895  
1 1 1 -8  97  8  o 16.203  6.7151  57.299     192.986  175.010    259.646  -87.9983   288.470  20.500  8.0335  16.879  7.5798  3.620752       11.04497  
1 1 1 -8  97  9  o 30.174  6.5981  542.247    209.631  547.658    316.587  538.021    279.746  29.720  9.0342  29.553  8.3633  0.1670151      12.31102  
1 1 1 -8  97  10 o 66.152  3.8234  2430.14    272.778  2493.58    413.536  2381.27    362.932  65.940  5.8510  64.798  5.2154  1.141556       7.838034  
1 1 1 -8  97  11 o 47.393  5.0810  1278.29    256.751  1347.39    412.857  1234.72    327.862  46.813  8.4538  45.710  6.8319  1.102573       10.86928  
1 1 1 -8  97  12 o 58.988  4.3966  1952.01    278.884  2083.11    439.407  1863.57    360.887  59.466  6.9535  56.825  5.9519  2.641434       9.152913  
1 1 1 -8  98  1  f 30.810  6.1205  555.671    197.046  508.834    278.645  602.520    278.684  28.938  8.3972  31.449  8.1240  -2.511786      11.68386  
1 1 1 -8  98  2  o 12.195  5.6070  -113.2666  169.865  -17.6051   252.682  -192.1427  229.445  16.825  7.3443  13.579  6.3370  3.246462       9.700303  
1 1 1 -8  98  3  o 108.479 3.1840  6458.17    374.099  6282.88    525.831  6637.82    532.342  106.255 4.5690  109.260 4.4984  -3.005127      6.411843  
1 1 1 -8  98  4  o 46.187  4.2844  1192.85    211.892  969.724    304.138  1403.30    295.375  40.448  7.2065  49.606  5.5954  -9.157589      9.123692  
1 1 1 -8  98  5  o 34.758  5.7371  698.856    208.446  658.010    317.537  729.786    276.316  32.602  8.7915  34.814  7.5457  -2.212540      11.58567  
1 1 1 -8  98  6  o 22.483  6.9716  294.369    187.393  561.771    263.067  18.902     267.004  30.356  7.9183  17.812  7.6626  12.54452       11.01884  
1 1 1 -8  98  7  o 28.072  6.5701  469.370    196.228  686.397    276.059  247.724    278.981  33.606  7.7434  22.423  8.4430  11.18323       11.45623  
1 1 1 -8  98  8  o 32.888  6.1704  635.239    211.723  553.988    282.674  739.070    319.547  29.974  8.3806  34.501  8.5857  -4.527071      11.99782  
1 1 1 -8  98  9  o 25.587  7.3469  394.522    214.314  388.932    342.506  398.119    274.746  26.166  9.4400  25.847  8.4889  0.3185482      12.69551  
1 1 1 -8  98  10 o 19.007  7.2047  166.650    203.976  102.180    309.067  216.400    271.501  20.195  8.4443  21.529  8.2758  -1.334782      11.82349  
1 1 1 -8  98  11 o 63.235  3.9657  2226.73    270.239  2383.86    414.997  2111.05    356.082  64.312  6.0281  60.822  5.4636  3.490135       8.135610  
1 1 1 -8  99  1  o 65.645  3.4202  2376.71    242.333  2358.89    351.491  2392.86    334.557  64.713  5.0549  65.320  4.7616  -0.6070938     6.944409  
1 1 1 -8  99  2  o 68.457  3.4692  2585.59    256.384  2872.35    360.946  2293.57    364.241  71.634  4.6778  63.666  5.3313  7.968121       7.092566  
1 1 1 -8  99  3  o 18.331  6.8218  157.962    181.090  18.497     267.533  275.897    246.017  17.832  7.6707  22.609  8.0175  -4.776905      11.09595  
1 1 1 -8  99  4  f 73.966  3.3156  3007.86    265.626  2711.55    380.047  3290.85    371.406  69.360  5.0946  76.772  4.4861  -7.412178      6.788205  
1 1 1 -8  99  5  o 70.677  3.6072  2761.39    275.212  3046.58    396.634  2496.60    382.185  73.566  5.0077  66.379  5.3616  7.186684       7.336484  
1 1 1 -8  99  6  o 80.962  3.2501  3603.47    285.007  3341.15    400.028  3873.89    406.165  77.145  4.8115  83.257  4.5211  -6.111954      6.602378  
1 1 1 -8  99  7  o 89.689  3.2346  4423.30    314.221  4288.77    442.033  4560.72    446.757  87.480  4.6823  90.280  4.5839  -2.800308      6.552543  
1 1 1 -8  99  8  o 72.695  3.5129  2915.01    276.591  3013.32    378.252  2802.04    405.484  73.196  4.7977  70.244  5.3703  2.951767       7.201211  
1 1 1 -8  99  9  o 32.821  6.4797  638.348    222.171  729.813    353.153  578.437    285.816  33.934  9.3222  30.560  8.3828  3.374199       12.53693  
1 1 1 -8  99  10 o 25.783  7.2485  401.164    210.862  223.083    319.180  539.077    280.885  22.541  8.8839  29.511  8.3904  -6.970100      12.21972  
1 1 1 -8  100 1  o 11.782  5.5412  -177.4290  181.229  -266.9861  254.357  -85.0876   258.280  13.643  6.4612  15.964  7.1703  -2.320984      9.651958  
1 1 1 -8  100 2  o 34.293  5.3954  676.644    193.777  771.485    284.526  594.598    264.638  35.765  7.5805  31.242  7.8348  4.523050       10.90175  
1 1 1 -8  100 3  o 46.459  4.6010  1214.36    228.476  1253.32    338.357  1181.70    309.761  46.135  6.9904  44.991  6.5489  1.143932       9.578794  
1 1 1 -8  100 4  o 47.775  4.2392  1276.88    217.084  1401.71    313.350  1161.68    301.026  49.325  5.9881  44.654  6.4076  4.671150       8.770122  
1 1 1 -8  100 5  o 47.695  4.4427  1277.18    226.863  1138.65    340.973  1387.22    303.886  43.641  7.4831  49.124  5.8249  -5.483452      9.482953  
1 1 1 -8  100 6  o 16.741  6.7030  94.005     184.462  89.078     258.852  99.089     262.935  18.754  7.7751  19.044  7.8610  -0.2905865     11.05651  
1 1 1 -8  100 7  o 42.167  4.7664  1006.41    213.867  882.392    300.750  1133.28    304.186  38.265  7.5248  43.968  6.5906  -5.702927      10.00295  
1 1 1 -8  100 8  o 26.704  7.1082  429.845    209.227  336.431    313.531  504.843    280.929  24.778  9.0176  28.648  8.4656  -3.870785      12.36870  
1 1 1 -8  100 9  o 46.052  4.6384  1196.48    228.211  1416.01    338.621  1013.80    308.900  49.241  6.5086  41.226  7.1787  8.014961       9.689992  
1 1 1 -8  101 1  o 33.823  2.4010  627.736    87.385   602.399    91.640   881.715    290.141  33.096  2.5768  38.416  7.2387  -5.319103      7.683661  
1 1 1 -8  101 2  o 14.603  6.3249  -6.2689    184.428  -34.1048   287.297  13.243     240.532  17.572  7.7457  16.885  7.2683  0.6870136      10.62191  
1 1 1 -8  101 3  o 73.953  3.5827  3016.78    286.969  3084.17    423.822  2959.73    389.961  73.791  5.3389  72.476  4.9983  1.314919       7.313477  
1 1 1 -8  101 4  o 74.109  3.5388  3028.20    284.055  3089.86    408.961  2970.72    394.841  73.979  5.1357  72.579  5.0543  1.400192       7.205690  
1 1 1 -8  101 5  o 58.142  4.0615  1882.85    254.164  1972.36    365.974  1799.46    353.247  58.674  5.8363  55.980  5.9157  2.694263       8.310143  
1 1 1 -8  101 6  o 71.957  3.3884  2851.08    264.079  3000.12    371.239  2698.41    375.730  73.117  4.7129  69.148  5.0517  3.968704       6.908757  
1 1 1 -8  101 7  o 74.821  3.3812  3082.85    274.011  3114.95    384.897  3049.86    390.179  74.448  4.7989  73.593  4.9234  0.8549805      6.875265  
1 1 1 -8  102 1  o 55.700  3.7606  1721.42    225.543  1815.89    329.346  1637.99    309.510  56.491  5.4504  53.654  5.3994  2.837372       7.672044  
1 1 1 -8  102 2  o 13.761  6.2158  -84.4028   197.288  198.454    287.274  -336.8907  271.415  21.546  8.4483  13.559  6.4914  7.987817       10.65424  
1 1 1 -8  102 3  o 36.380  6.0358  770.858    229.497  814.341    347.486  737.218    305.642  36.112  8.9333  34.620  8.2653  1.492107       12.17041  
1 1 1 -8  102 4  o 30.012  6.5841  535.822    208.140  582.171    287.618  484.863    301.587  30.718  8.4022  28.191  8.8612  2.527077       12.21140  
1 1 1 -8  102 5  o 27.985  7.1920  472.347    219.178  110.498    316.590  805.412    303.737  20.579  8.5708  36.353  7.9366  -15.77401      11.68112  
1 1 1 -7  0   1  o 249.908 6.4236  33913.70   1736.13  33913.70   1736.13  33913.70   1736.13  249.908 6.4236  249.908 6.4236  0.000000       0.000000  
1 1 1 -7  0   2  o 148.790 4.4717  12025.66   719.160  12025.66   719.160  12025.66   719.160  148.790 4.4717  148.790 4.4717  0.000000       0.000000  
1 1 1 -7  0   3  o 460.635 10.978  115339.80  5470.03  115339.80  5470.03  115339.80  5470.03  460.635 10.978  460.635 10.978  0.000000       0.000000  
1 1 1 -7  0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  0   5  o 63.495  3.3830  2202.22    231.148  2202.22    231.148  2202.22    231.148  63.495  3.3830  63.495  3.3830  0.000000       0.000000  
1 1 1 -7  0   6  o 345.131 8.4173  64671.65   3142.26  64671.65   3142.26  64671.65   3142.26  345.131 8.4173  345.131 8.4173  0.000000       0.000000  
1 1 1 -7  0   7  o 43.905  3.5682  1064.58    167.105  1064.58    167.105  1064.58    167.105  43.905  3.5682  43.905  3.5682  -0.000000      0.000000  
1 1 1 -7  0   8  o 783.817 18.220  334109.09  15449.48 334109.09  15449.48 334109.09  15449.48 783.817 18.220  783.817 18.220  0.000000       0.000000  
1 1 1 -7  0   9  o 373.492 8.6787  75711.18   3506.52  75711.18   3506.52  75711.18   3506.52  373.492 8.6787  373.492 8.6787  0.000000       0.000000  
1 1 1 -7  0   10 o 821.040 18.932  366724.19  16815.36 366724.19  16815.36 366724.19  16815.36 821.040 18.932  821.040 18.932  -0.000000      0.000000  
1 1 1 -7  0   11 o 565.407 13.338  173689.91  8157.94  173689.91  8157.94  173689.91  8157.94  565.407 13.338  565.407 13.338  0.000000       0.000000  
1 1 1 -7  0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  0   13 o 272.826 7.0102  40413.57   2068.42  40413.57   2068.42  40413.57   2068.42  272.826 7.0102  272.826 7.0102  0.000000       0.000000  
1 1 1 -7  0   14 o 216.809 8.2714  25593.74   1935.92  25593.74   1935.92  25593.74   1935.92  216.809 8.2714  216.809 8.2714  0.000000       0.000000  
1 1 1 -7  0   15 o 17.215  8.7602  235.448    204.952  235.448    204.952  235.448    204.952  17.215  8.7602  17.215  8.7602  -0.000000      0.000000  
1 1 1 -7  0   16 o 230.818 6.0964  28938.25   1521.70  28938.25   1521.70  28938.25   1521.70  230.818 6.0964  230.818 6.0964  -0.000000      0.000000  
1 1 1 -7  0   17 o 273.160 6.9525  40543.53   2053.96  40543.53   2053.96  40543.53   2053.96  273.160 6.9525  273.160 6.9525  0.000000       0.000000  
1 1 1 -7  0   18 o 574.846 13.595  180377.09  8453.69  180377.09  8453.69  180377.09  8453.69  574.846 13.595  574.846 13.595  0.000000       0.000000  
1 1 1 -7  0   19 o 9.5427  6.4714  -106.2150  200.083  -106.2150  200.083  -106.2150  200.083  9.5427  6.4714  9.5427  6.4714  0.000000       0.000000  
1 1 1 -7  0   20 o 166.316 4.9454  15035.60   889.066  15035.60   889.066  15035.60   889.066  166.316 4.9454  166.316 4.9454  0.000000       0.000000  
1 1 1 -7  0   21 o 110.961 4.2977  6703.74    514.750  6703.74    514.750  6703.74    514.750  110.961 4.2977  110.961 4.2977  0.000000       0.000000  
1 1 1 -7  0   22 o 34.726  6.8425  725.614    228.908  725.614    228.908  725.614    228.908  34.726  6.8425  34.726  6.8425  0.000000       0.000000  
1 1 1 -7  0   23 o 59.105  4.8944  1933.67    308.384  1933.67    308.384  1933.67    308.384  59.105  4.8944  59.105  4.8944  0.000000       0.000000  
1 1 1 -7  0   24 o 325.657 8.0960  57897.03   2851.63  57897.03   2851.63  57897.03   2851.63  325.657 8.0960  325.657 8.0960  0.000000       0.000000  
1 1 1 -7  0   25 o 38.177  6.7665  863.843    253.574  863.843    253.574  863.843    253.574  38.177  6.7665  38.177  6.7665  0.000000       0.000000  
1 1 1 -7  0   26 o 130.973 4.5239  9359.07    640.010  9359.07    640.010  9359.07    640.010  130.973 4.5239  130.973 4.5239  0.000000       0.000000  
1 1 1 -7  0   27 o 17.526  9.7602  234.025    274.971  234.025    274.971  234.025    274.971  17.526  9.7602  17.526  9.7602  0.000000       0.000000  
1 1 1 -7  0   28 o 47.444  2.4620  1231.15    125.739  1231.15    125.739  1231.15    125.739  47.444  2.4620  47.444  2.4620  -0.000000      0.000000  
1 1 1 -7  0   29 o 54.158  5.7857  1661.96    329.623  1661.96    329.623  1661.96    329.623  54.158  5.7857  54.158  5.7857  0.000000       0.000000  
1 1 1 -7  0   30 f 122.645 4.6342  8266.54    613.604  8266.54    613.604  8266.54    613.604  122.645 4.6342  122.645 4.6342  0.000000       0.000000  
1 1 1 -7  0   31 o 50.088  6.2628  1451.04    325.385  1451.04    325.385  1451.04    325.385  50.088  6.2628  50.088  6.2628  0.000000       0.000000  
1 1 1 -7  0   32 o 114.268 4.6071  7215.11    568.091  7215.11    568.091  7215.11    568.091  114.268 4.6071  114.268 4.6071  -0.000000      0.000000  
1 1 1 -7  0   33 o 46.112  1.9087  1161.53    94.957   1161.53    94.957   1161.53    94.957   46.112  1.9087  46.112  1.9087  0.000000       0.000000  
1 1 1 -7  0   34 o 21.269  11.698  441.496    389.531  441.496    389.531  441.496    389.531  21.269  11.698  21.269  11.698  -0.000000      0.000000  
1 1 1 -7  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  1   1  o 453.037 10.792  111605.20  5295.65  104664.80  7489.14  118545.80  7489.23  437.705 15.797  466.066 14.836  -28.36093      21.67167  
1 1 1 -7  1   2  f 58.867  2.3004  1877.00    146.673  1814.81    206.880  1939.86    207.977  57.782  3.3196  59.752  3.2255  -1.969715      4.628568  
1 1 1 -7  1   3  o 343.306 5.9172  63902.57   2200.22  63375.29   3111.42  64429.96   3111.73  341.679 8.4076  344.517 8.3391  -2.838074      11.84181  
1 1 1 -7  1   4  o 183.963 3.5953  18334.68   716.364  17619.46   1012.73  19050.93   1013.46  180.300 5.1859  187.487 4.9907  -7.186844      7.197307  
1 1 1 -7  1   5  o 171.291 3.4661  15894.52   643.048  15546.82   909.598  16241.93   909.216  169.379 4.9582  173.126 4.8488  -3.747589      6.934993  
1 1 1 -7  1   6  o 320.584 5.5723  55695.06   1934.86  56656.51   2736.24  54733.51   2736.38  323.235 7.8157  317.694 7.9524  5.540253       11.15010  
1 1 1 -7  1   7  o 66.535  2.5009  2397.69    180.226  2439.79    206.865  2265.06    367.146  67.116  2.8457  64.438  5.3077  2.677780       6.022444  
1 1 1 -7  1   8  o 601.005 9.9171  195911.50  6455.53  194569.00  9129.42  197254.00  9129.58  598.478 14.084  602.606 13.988  -4.127808      19.84979  
1 1 1 -7  1   9  o 673.315 11.064  245982.59  8068.94  249073.41  11411.26 242891.91  11411.16 676.902 15.565  668.417 15.762  8.484558       22.15171  
1 1 1 -7  1   10 o 234.801 4.3094  29865.79   1095.93  29507.27   1549.38  30224.79   1550.38  233.351 6.1302  236.173 6.0609  -2.821793      8.620596  
1 1 1 -7  1   11 o 419.608 7.1049  95437.70   3229.03  95272.18   4566.90  95603.16   4566.19  419.054 10.062  419.782 10.043  -0.7286987     14.21628  
1 1 1 -7  1   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  1   13 o 268.411 4.8110  39037.68   1398.63  39506.98   2794.52  38880.83   1615.53  269.798 9.5631  267.846 5.5688  1.951599       11.06637  
1 1 1 -7  1   14 o 260.912 4.6832  36890.96   1323.46  35044.71   2643.41  37508.56   1528.88  254.027 9.6076  263.060 5.3660  -9.032532      11.00452  
1 1 1 -7  1   15 o 169.472 4.0422  15563.41   741.960  15002.72   1285.16  15843.73   908.694  166.281 7.1358  170.966 4.9073  -4.684509      8.660318  
1 1 1 -7  1   16 o 98.830  2.8888  5291.65    309.221  5186.60    437.383  5396.62    437.226  97.823  4.1281  99.786  4.0454  -1.962578      5.779861  
1 1 1 -7  1   17 o 100.363 2.8914  5457.56    314.305  5726.17    444.910  5189.95    444.081  102.781 3.9966  97.845  4.1904  4.935089       5.790678  
1 1 1 -7  1   18 o 47.890  3.5605  1249.98    183.362  1227.71    259.941  1272.03    258.691  47.291  5.1585  48.162  5.0335  -0.8712540     7.207360  
1 1 1 -7  1   19 o 203.852 3.9463  22532.03   871.310  22444.03   1232.14  22620.06   1232.29  203.328 5.5949  204.126 5.5737  -0.7976990     7.897436  
1 1 1 -7  1   20 o 84.182  2.9572  3840.74    269.635  3628.53    381.316  4052.96    381.327  81.674  4.3259  86.447  4.0726  -4.773140      5.941397  
1 1 1 -7  1   21 o 114.435 3.0422  7098.27    377.061  7086.68    528.338  7110.30    538.292  114.290 4.2681  114.477 4.3414  -0.1866684     6.088028  
1 1 1 -7  1   22 o 262.870 4.7680  37522.27   1357.53  37864.98   1919.97  37179.63   1919.72  263.718 6.7218  261.308 6.7829  2.410187       9.549332  
1 1 1 -7  1   23 o 151.227 3.3454  12405.17   547.966  12479.46   772.308  12329.85   777.601  151.560 4.7048  150.642 4.7659  0.9175568      6.696871  
1 1 1 -7  1   24 f 270.126 5.1486  39715.69   1506.34  40756.08   1990.53  38321.40   2304.34  273.155 6.7281  264.384 8.0471  8.771210       10.48919  
1 1 1 -7  1   25 o 248.726 4.8372  33714.87   1303.11  35249.96   1726.45  31682.40   1986.55  253.778 6.2810  239.985 7.6427  13.79272       9.892495  
1 1 1 -7  1   26 f 89.363  2.7742  4337.42    268.512  4347.23    425.246  4330.91    346.272  89.267  4.3983  89.209  3.5838  0.5780792E-01  5.673453  
1 1 1 -7  1   27 o 7.5407  2.6656  26.789     27.174   64.630     266.973  26.393     27.316   19.100  7.9055  7.5203  2.6710  11.57964       8.344533  
1 1 1 -7  1   28 o 68.936  2.1990  2581.46    164.185  2655.01    231.968  2507.62    232.419  69.810  3.0679  67.832  3.1635  1.978081       4.406746  
1 1 1 -7  1   29 o 40.838  1.5189  904.806    67.184   961.987    95.190   848.049    94.837   42.074  2.0888  39.433  2.2296  2.641773       3.055253  
1 1 1 -7  1   30 o 34.221  5.9088  672.726    211.090  630.122    297.985  715.640    299.070  32.399  8.4160  34.607  8.1189  -2.208420      11.69381  
1 1 1 -7  1   31 o 23.874  6.6992  335.381    180.286  349.328    233.865  314.952    283.041  24.528  7.8140  24.161  8.5963  0.3661919      11.61696  
1 1 1 -7  1   32 o 3.3181  1.6788  -103.0991  29.717   -105.7722  29.884   134.010    281.450  3.3006  1.6715  20.151  8.2037  -16.85080      8.372302  
1 1 1 -7  1   33 o ?       ?       -391.4459  36.719   -268.2395  271.692  -393.7381  37.059   14.039  6.6571  ?       ?       0.000000       6.657063  
1 1 1 -7  1   34 o 25.358  8.5050  428.412    275.398  535.205    388.117  320.115    390.841  27.524  10.031  23.763  9.6700  3.760994       13.93284  
1 1 1 -7  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  2   1  o 219.823 4.0964  26184.29   975.325  26270.60   1379.33  26097.97   1379.30  220.120 5.7855  219.395 5.8045  0.7252350      8.195345  
1 1 1 -7  2   2  o 226.569 4.1908  27816.71   1028.41  28101.06   1454.37  27532.35   1454.41  227.656 5.8983  225.338 5.9591  2.318268       8.384562  
1 1 1 -7  2   3  o 279.108 4.9289  42222.38   1490.02  40808.45   2106.88  43637.21   2107.54  274.275 7.0922  283.637 6.8603  -9.362335      9.867298  
1 1 1 -7  2   4  f 317.253 5.5110  54557.64   1893.68  56000.38   2678.17  53115.12   2677.97  321.278 7.6964  312.877 7.9024  8.401276       11.03099  
1 1 1 -7  2   5  o 271.046 4.8427  39810.26   1421.67  40138.43   2010.66  39482.16   2010.43  272.078 6.8230  269.842 6.8787  2.236145       9.688641  
1 1 1 -7  2   6  o 387.737 5.7992  81475.80   2435.45  79459.36   3143.96  84501.41   3851.14  382.811 7.5827  394.670 9.0092  -11.85864      11.77550  
1 1 1 -7  2   7  o 548.968 9.1144  163443.91  5419.35  166501.20  6257.80  154272.70  10838.31 553.954 10.430  532.081 18.807  21.87274       21.50525  
1 1 1 -7  2   8  o 777.435 25.752  330686.59  21684.46 330686.59  21684.46 0.0000     0.0000   777.435 25.752  ?       ?       0.000000       25.75220  
1 1 1 -7  2   9  o 200.664 3.7421  21810.93   813.311  23838.54   1150.86  19788.00   1149.53  209.765 5.0655  191.107 5.5536  18.65796       7.516741  
1 1 1 -7  2   10 o 371.302 6.3556  74711.20   2555.96  76335.01   3614.93  73087.88   3614.40  375.195 8.8955  367.118 9.0899  8.077332       12.71839  
1 1 1 -7  2   11 o 536.339 8.9424  156006.09  5194.72  155410.50  7346.45  156601.59  7346.44  534.927 12.680  536.979 12.631  -2.051941      17.89771  
1 1 1 -7  2   12 o 654.209 21.773  233992.09  15427.79 0.0000     0.0000   233992.09  15427.79 ?       ?       654.209 21.773  0.000000       21.77294  
1 1 1 -7  2   13 o 738.907 14.060  297093.31  11252.63 0.0000     0.0000   297093.31  11252.63 ?       ?       738.907 14.060  0.000000       14.06029  
1 1 1 -7  2   14 o 521.566 8.7384  147663.20  4936.39  149638.91  9871.67  147004.41  5700.27  523.232 17.419  520.195 10.117  3.037842       20.14405  
1 1 1 -7  2   15 o 186.031 3.6935  18751.55   744.202  19064.64   1483.56  18646.28   860.269  187.435 7.3078  185.491 4.2819  1.943695       8.469861  
1 1 1 -7  2   16 o 225.787 4.5110  27635.31   1103.18  28127.69   2068.42  27439.57   1304.14  227.514 8.3938  224.941 5.3529  2.573334       9.955385  
1 1 1 -7  2   17 o 130.080 3.1749  9168.86    447.318  8847.99    657.785  9444.90    610.109  127.737 4.7544  131.992 4.2676  -4.255219      6.388827  
1 1 1 -7  2   18 o 260.690 5.0879  36868.43   1436.59  36838.90   1899.26  36907.90   2196.24  260.413 6.7337  260.522 7.7833  -0.1088867     10.29186  
1 1 1 -7  2   19 o 308.010 5.8215  51513.73   1942.10  51161.95   2985.38  51771.84   2557.17  306.393 8.9960  308.483 7.6535  -2.089813      11.81118  
1 1 1 -7  2   20 o 159.176 3.3871  13735.06   583.956  13465.09   825.899  14004.96   825.779  157.521 4.8408  160.654 4.7457  -3.133255      6.779029  
1 1 1 -7  2   21 o 238.553 4.4241  30878.18   1143.08  30973.53   1616.62  30782.85   1616.51  238.690 6.2532  237.952 6.2722  0.7386322      8.856793  
1 1 1 -7  2   22 o 144.282 3.2844  11288.06   513.263  11022.60   724.137  11556.06   727.602  142.481 4.6924  145.895 4.6045  -3.414124      6.574197  
1 1 1 -7  2   23 o 70.519  3.1756  2697.03    242.553  2775.46    337.199  2612.94    349.155  71.356  4.3842  69.194  4.6865  2.162125       6.417524  
1 1 1 -7  2   24 o 58.971  3.4134  1893.77    217.088  1805.46    299.668  1991.29    314.916  57.407  4.8653  60.309  4.8624  -2.902367      6.878525  
1 1 1 -7  2   25 o 91.205  2.9712  4515.58    293.511  4558.67    415.047  4472.48    415.127  91.531  4.1866  90.658  4.2277  0.8735733      5.949868  
1 1 1 -7  2   26 o 72.529  2.4729  2855.43    194.264  2473.86    354.125  3019.70    232.346  67.105  4.9063  74.555  2.8773  -7.449669      5.687760  
1 1 1 -7  2   27 o 3.3919  1.7148  -104.7719  30.618   303.331    272.983  -109.9711  30.812   24.344  8.4598  3.3451  1.6944  20.99857       8.627842  
1 1 1 -7  2   28 o 19.333  6.7899  186.219    176.071  75.601     272.858  265.142    230.476  19.396  8.0071  22.587  7.7776  -3.190952      11.16266  
1 1 1 -7  2   29 o 63.162  2.4760  2170.93    169.386  2281.03    194.049  1818.53    347.179  64.704  2.7689  56.958  5.7044  7.746605       6.340899  
1 1 1 -7  2   30 o 75.408  3.4046  3114.75    278.067  3387.68    393.736  2843.18    392.757  78.121  4.6748  71.371  5.1147  6.750221       6.929271  
1 1 1 -7  2   31 o 5.2755  2.3434  -9.8779    26.795   -12.4189   26.921   260.026    277.455  5.1770  2.3208  22.826  8.4540  -17.64851      8.766764  
1 1 1 -7  2   32 f 34.108  1.0854  631.112    40.097   640.811    40.496   145.520    286.534  34.369  1.0879  20.482  8.2998  13.88747       8.370829  
1 1 1 -7  2   33 o 13.884  2.8555  109.848    41.509   503.925    235.224  97.182     42.170   28.422  7.5233  13.022  3.0445  15.40007       8.115978  
1 1 1 -7  2   34 o 24.341  9.7215  358.119    386.942  0.0000     0.0000   358.119    386.942  ?       ?       24.341  9.7215  0.000000       9.721531  
1 1 1 -7  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  3   1  o 96.780  2.5809  5073.52    270.534  5203.54    383.076  4944.14    382.112  98.001  3.6090  95.526  3.6932  2.474968       5.163736  
1 1 1 -7  3   2  o 98.969  2.6016  5305.69    278.878  5220.24    394.463  5391.07    394.323  98.157  3.7103  99.751  3.6498  -1.593941      5.204551  
1 1 1 -7  3   3  o 124.003 2.8612  8329.58    384.276  8021.46    543.195  8638.28    543.703  121.670 4.1219  126.264 3.9757  -4.593834      5.726827  
1 1 1 -7  3   4  o 109.373 2.7152  6479.79    321.656  6435.02    454.862  6524.58    454.918  108.982 3.8535  109.739 3.8274  -0.7560806     5.431229  
1 1 1 -7  3   5  o 387.364 6.5904  81351.80   2765.05  81102.99   3910.35  81600.62   3910.39  386.552 9.3398  387.738 9.3113  -1.186737      13.18836  
1 1 1 -7  3   6  o 515.474 8.5000  144117.91  4745.68  140634.59  5479.72  154569.50  9491.97  509.064 9.9384  532.722 16.451  -23.65817      19.21976  
1 1 1 -7  3   7  o 472.475 7.8975  121023.50  4041.45  120243.20  4666.68  123364.20  8082.81  470.862 9.1505  476.264 15.669  -5.401855      18.14532  
1 1 1 -7  3   8  o 453.098 7.4732  111275.70  3667.50  111106.20  4234.86  111784.30  7334.98  452.687 8.6372  453.546 14.932  -0.8585510     17.24979  
1 1 1 -7  3   9  o 86.724  2.5834  4073.49    242.658  4134.19    345.831  4014.61    340.569  87.364  3.6548  86.091  3.6524  1.272774       5.166973  
1 1 1 -7  3   10 o 361.387 6.2000  70771.91   2426.78  72544.17   3432.31  69000.30   3431.67  365.772 8.6637  356.715 8.8821  9.057404       12.40771  
1 1 1 -7  3   11 o 424.706 7.1427  97772.24   3285.67  104357.00  6571.57  95577.54   3793.92  438.221 13.845  419.842 8.3432  18.37891       16.16489  
1 1 1 -7  3   12 o 460.347 15.531  115324.80  7743.95  0.0000     0.0000   115324.80  7743.95  ?       ?       460.347 15.531  0.000000       15.53128  
1 1 1 -7  3   13 o 136.329 3.1760  10067.50   468.956  9559.90    931.743  10239.72   542.706  132.796 6.4780  137.484 3.6445  -4.688507      7.432833  
1 1 1 -7  3   14 o 372.320 6.3966  75165.77   2579.52  75493.99   5157.33  75056.27   2978.90  372.432 12.785  371.971 7.3940  0.4616089      14.76929  
1 1 1 -7  3   15 o 376.261 6.4195  76790.34   2616.15  74712.55   5230.02  77483.73   3021.30  370.220 13.043  377.860 7.3823  -7.639160      14.98715  
1 1 1 -7  3   16 o 279.883 4.9756  42473.27   1508.32  41192.18   3010.71  42902.55   1742.80  275.114 10.104  281.240 5.7214  -6.125488      11.61127  
1 1 1 -7  3   17 o 79.667  2.9478  3438.88    254.360  3537.42    498.602  3404.21    295.737  80.539  5.7537  79.257  3.4451  1.281929       6.706205  
1 1 1 -7  3   18 f 78.447  3.3727  3335.25    286.562  3139.11    499.351  3431.55    349.916  75.791  6.1357  79.453  4.0799  -3.661934      7.368322  
1 1 1 -7  3   19 o 285.665 5.0824  44282.67   1572.51  43463.00   2224.04  45102.08   2223.69  282.710 7.2632  288.014 7.1284  -5.303314      10.17686  
1 1 1 -7  3   20 o 237.973 4.7278  30728.96   1218.58  30655.70   1616.86  30825.29   1854.06  237.511 6.2852  238.040 7.1912  -0.5288849     9.550797  
1 1 1 -7  3   21 f 137.031 3.2532  10179.61   482.832  10364.85   698.160  10009.79   668.462  138.195 4.6644  135.815 4.5442  2.380157       6.512000  
1 1 1 -7  3   22 o 74.367  2.6250  2997.44    211.431  2815.19    262.743  3332.28    356.143  72.051  3.3668  78.247  4.2179  -6.195450      5.396851  
1 1 1 -7  3   23 o 174.971 3.7246  16613.04   705.862  15832.63   1049.20  17258.33   954.051  170.585 5.6787  178.201 4.9430  -7.615677      7.528659  
1 1 1 -7  3   24 o 131.035 3.1872  9316.66    452.344  8924.51    647.584  9690.31    632.118  128.105 4.6672  133.522 4.3709  -5.417374      6.394386  
1 1 1 -7  3   25 o 211.642 4.0697  24366.72   932.895  24118.78   1318.32  24615.41   1320.31  210.079 5.7939  212.247 5.7433  -2.168549      8.158092  
1 1 1 -7  3   26 o 134.581 3.1628  9846.22    461.022  9607.25    651.721  10085.56   652.246  132.670 4.5354  135.957 4.4293  -3.287079      6.339493  
1 1 1 -7  3   27 o 120.828 3.2085  7948.00    419.902  7363.64    593.041  8535.48    594.625  115.949 4.7222  124.928 4.3945  -8.979843      6.450691  
1 1 1 -7  3   28 o 94.404  3.1893  4857.58    326.104  4857.26    460.626  4857.90    461.738  94.096  4.5197  94.099  4.5304  -0.3265381E-02 6.399396  
1 1 1 -7  3   29 f 64.275  2.5806  2249.07    179.648  2230.05    208.168  2304.54    355.593  63.943  3.0058  64.370  5.1433  -0.4279175     5.957159  
1 1 1 -7  3   30 o 78.686  3.3425  3390.18    284.866  3573.98    402.946  3206.53    402.777  80.253  4.6557  75.892  4.9267  4.361252       6.778465  
1 1 1 -7  3   31 o 27.670  1.3057  415.494    39.131   424.599    39.508   -54.4201   283.823  27.972  1.3041  17.295  7.6574  10.67637       7.767637  
1 1 1 -7  3   32 o 35.256  1.3700  675.008    52.317   689.882    53.186   231.083    290.559  35.642  1.3777  22.235  8.5577  13.40701       8.667944  
1 1 1 -7  3   33 o 40.832  6.1643  987.622    264.130  373.093    483.063  1249.70    315.465  26.688  10.790  45.775  6.5495  -19.08716      12.62225  
1 1 1 -7  3   34 o 24.755  9.3127  397.165    339.272  0.0000     0.0000   397.165    339.272  ?       ?       24.755  9.3127  0.000000       9.312716  
1 1 1 -7  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  4   1  o 555.948 13.102  168380.00  7889.51  180243.00  11157.57 156517.41  11157.35 573.707 17.956  534.163 19.285  39.54443       26.35003  
1 1 1 -7  4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  4   3  o 530.724 12.541  153326.91  7208.92  152910.20  10194.72 153743.70  10195.20 528.623 17.806  530.077 17.758  -1.453552      25.14714  
1 1 1 -7  4   4  o 207.873 3.9272  23411.92   884.197  23087.78   1249.91  23736.62   1250.98  206.380 5.5916  209.263 5.5194  -2.882416      7.856833  
1 1 1 -7  4   5  o 257.886 4.6379  36035.82   1295.45  36413.15   1832.38  35658.76   1831.71  259.163 6.5279  256.462 6.5942  2.701508       9.278846  
1 1 1 -7  4   6  o 398.163 6.7097  85934.87   2893.58  85876.52   3341.26  86109.90   5786.96  397.966 7.7517  398.010 13.424  -0.4400635E-01 15.50147  
1 1 1 -7  4   7  o 210.919 3.9789  24098.48   908.964  23968.06   1049.64  24489.56   1817.63  210.338 4.6074  212.539 7.8958  -2.200882      9.141757  
1 1 1 -7  4   8  o 647.002 10.706  227102.41  7502.42  229738.00  8663.09  219195.91  15004.63 650.562 12.295  633.865 21.855  16.69739       25.07617  
1 1 1 -7  4   9  o 935.840 31.025  481420.59  31447.25 481420.59  31447.25 0.0000     0.0000   935.840 31.025  ?       ?       0.000000       31.02493  
1 1 1 -7  4   10 o 328.433 5.5751  58446.43   1983.21  59301.39   2804.63  57591.41   2804.72  330.743 7.8291  325.935 7.9449  4.808411       11.15424  
1 1 1 -7  4   11 o 586.429 11.199  186660.91  7113.06  192057.91  12320.34 183962.50  8711.62  593.555 19.164  581.831 13.824  11.72443       23.62984  
1 1 1 -7  4   12 o 349.092 8.5272  66093.96   3224.16  0.0000     0.0000   66093.96   3224.16  ?       ?       349.092 8.5272  0.000000       8.527195  
1 1 1 -7  4   13 o 257.329 4.6422  35879.49   1293.84  34154.55   2584.73  36456.23   1494.56  250.855 9.5131  259.367 5.3202  -8.512146      10.89971  
1 1 1 -7  4   14 o 359.116 6.2002  69924.09   2411.62  65562.13   4820.88  71379.98   2785.16  347.059 12.825  362.769 7.0884  -15.71033      14.65342  
1 1 1 -7  4   15 o 608.493 10.108  201310.59  6662.10  197761.91  13322.86 202493.80  7692.98  599.431 20.521  609.886 11.646  -10.45465      23.59492  
1 1 1 -7  4   16 o 152.694 3.4228  12633.75   566.081  11710.34   1282.06  12857.37   630.913  146.593 8.1062  154.030 3.7818  -7.437042      8.944941  
1 1 1 -7  4   17 o 169.629 3.5137  15593.80   645.553  16545.98   1287.21  15273.84   746.175  174.558 6.8083  167.857 4.1042  6.700485       7.949685  
1 1 1 -7  4   18 o 118.719 3.0012  7637.46    385.909  7815.49    766.683  7577.05    446.611  119.989 5.8994  118.236 3.4875  1.752853       6.853105  
1 1 1 -7  4   19 o 180.146 3.6709  17593.47   716.260  19602.67   1429.39  16919.80   827.672  189.895 6.9497  176.627 4.3264  13.26779       8.186340  
1 1 1 -7  4   20 o 329.832 6.6343  59143.27   2370.05  60375.68   4106.87  58527.89   2902.07  331.996 11.421  327.784 8.1743  4.211334       14.04495  
1 1 1 -7  4   21 o 230.150 4.9799  28756.39   1241.36  28026.34   2148.02  29122.48   1521.09  226.628 8.7509  231.473 6.0672  -4.844650      10.64844  
1 1 1 -7  4   22 o 240.274 4.7463  31348.26   1235.18  30873.67   1879.58  31709.01   1638.71  238.016 7.2909  241.413 6.2672  -3.396378      9.614342  
1 1 1 -7  4   23 f 59.045  2.2756  1889.47    145.527  1565.07    295.826  1993.03    167.152  53.406  5.1793  60.636  2.5451  -7.230240      5.770856  
1 1 1 -7  4   24 o 102.080 2.9939  5652.93    331.012  5699.67    466.453  5605.51    469.808  102.415 4.2051  101.560 4.2710  0.8549194      5.993638  
1 1 1 -7  4   25 o 41.881  1.9647  950.890    89.122   931.487    91.598   1295.35    385.940  41.450  2.0403  47.950  7.6912  -6.500271      7.957251  
1 1 1 -7  4   26 o 173.293 3.5176  16340.61   660.235  16822.41   934.225  15859.85   933.202  175.433 4.9167  170.294 5.0595  5.139282       7.054918  
1 1 1 -7  4   27 o 114.317 3.1885  7114.08    394.793  7222.43    557.705  7005.26    558.940  114.894 4.4817  113.132 4.5615  1.761330       6.394729  
1 1 1 -7  4   28 o 59.740  2.5497  1940.75    164.979  1870.42    187.985  2176.48    344.163  58.530  2.9751  62.676  5.1144  -4.146664      5.916780  
1 1 1 -7  4   29 o 10.078  3.3535  52.499     42.824   40.514     43.321   566.516    283.701  9.3666  3.3598  30.964  8.2931  -21.59721      8.947860  
1 1 1 -7  4   30 o 22.248  7.8803  256.671    237.605  378.946    434.593  204.538    283.772  27.748  10.517  21.932  8.4527  5.815475       13.49262  
1 1 1 -7  4   31 o 73.743  3.7174  3002.27    295.959  3504.63    577.360  2823.23    344.690  77.935  6.9115  71.193  4.4932  6.742325       8.243690  
1 1 1 -7  4   32 o 18.251  2.6888  186.081    51.558   169.210    52.551   619.881    266.479  17.344  2.8999  31.852  7.7890  -14.50862      8.311306  
1 1 1 -7  4   33 o 39.414  5.9196  915.644    244.896  776.313    481.729  964.202    284.386  33.391  11.248  39.964  6.8145  -6.572369      13.15150  
1 1 1 -7  4   34 o 34.396  9.3523  835.925    357.589  0.0000     0.0000   835.925    357.589  ?       ?       34.396  9.3523  0.000000       9.352289  
1 1 1 -7  4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  5   1  o 342.663 5.8746  63663.50   2180.31  61979.63   3083.28  65347.70   3083.58  337.889 8.4250  346.970 8.2053  -9.081055      11.76040  
1 1 1 -7  5   2  o 384.070 6.4657  79998.19   2689.67  79111.38   3803.62  80885.13   3803.91  381.657 9.2014  385.924 9.1004  -4.266937      12.94149  
1 1 1 -7  5   3  o 89.613  2.5150  4349.77    244.103  4115.77    344.044  4586.98    346.395  87.159  3.6444  92.015  3.4757  -4.856026      5.036124  
1 1 1 -7  5   4  o 220.419 4.0966  26324.03   978.011  25722.05   1382.71  26926.71   1383.52  217.828 5.8607  222.876 5.7313  -5.047363      8.197279  
1 1 1 -7  5   5  o 324.571 5.6343  57095.58   1980.72  56570.88   2287.10  58669.86   3961.61  323.033 6.5369  328.640 11.130  -5.607849      12.90732  
1 1 1 -7  5   6  o 406.074 6.8790  89385.65   3025.51  90616.25   3493.62  85694.38   6050.68  408.797 7.8904  396.993 14.072  11.80411       16.13303  
1 1 1 -7  5   7  o 182.787 3.5541  18097.80   703.635  18102.12   812.596  18084.85   1406.70  182.803 4.1041  182.663 7.1102  0.1392517      8.209673  
1 1 1 -7  5   8  o 262.052 4.6809  37201.65   1328.57  37767.45   1534.41  35506.93   2655.57  264.023 5.3657  255.876 9.5820  8.147736       10.98210  
1 1 1 -7  5   9  o 484.170 9.3582  127124.90  4907.52  121347.30  8500.30  130013.50  6010.39  472.345 16.615  489.483 11.337  -17.13870      20.11441  
1 1 1 -7  5   10 o 924.148 21.484  466073.31  21504.28 459472.50  30410.74 472674.91  30412.56 913.940 30.721  927.181 30.284  -13.24042      43.13858  
1 1 1 -7  5   11 o 412.110 7.9793  92080.58   3561.63  89716.82   6168.04  93262.98   4362.41  406.298 14.016  414.632 9.7139  -8.334595      17.05331  
1 1 1 -7  5   12 o 556.565 13.108  168342.09  7901.86  0.0000     0.0000   168342.09  7901.86  ?       ?       556.565 13.108  0.000000       13.10820  
1 1 1 -7  5   13 o 352.072 6.9664  67208.52   2656.48  65278.47   4598.43  68175.27   3254.49  346.545 12.251  354.493 8.4763  -7.947876      14.89764  
1 1 1 -7  5   14 o 496.184 8.2405  133612.00  4428.58  131092.30  8854.87  134452.50  5114.13  489.879 16.689  497.571 9.4896  -7.691711      19.19806  
1 1 1 -7  5   15 o 215.897 4.0905  25259.13   956.515  23875.55   1909.94  25722.31   1105.09  209.680 8.4099  217.846 4.6836  -8.165405      9.626134  
1 1 1 -7  5   16 o 286.317 5.0938  44451.65   1579.65  47708.17   3158.32  43365.25   1824.21  296.102 9.8479  282.730 5.9571  13.37241       11.50950  
1 1 1 -7  5   17 f 75.343  2.9294  3075.67    239.049  2985.71    472.936  3106.54    277.045  73.936  5.9563  75.713  3.3784  -1.777069      6.847654  
1 1 1 -7  5   18 o 213.415 4.0664  24693.61   939.942  25102.96   1872.50  24555.72   1086.79  214.820 8.0478  212.777 4.7157  2.043655       9.327644  
1 1 1 -7  5   19 o 56.785  3.4708  1754.41    212.441  2090.76    410.635  1631.49    248.244  61.729  6.2269  54.686  4.2239  7.043140       7.524269  
1 1 1 -7  5   20 o 149.777 3.3594  12160.89   544.982  12347.02   1046.76  12091.68   638.318  150.721 6.4121  149.322 3.9468  1.398987       7.529415  
1 1 1 -7  5   21 o 231.637 4.3592  29112.49   1093.68  29319.50   2178.56  29042.75   1264.57  231.809 8.6770  231.285 5.0481  0.5247192      10.03859  
1 1 1 -7  5   22 o 66.670  2.5833  2409.05    186.541  2063.35    446.117  2482.30    205.355  61.180  6.8500  67.671  2.8018  -6.491535      7.400815  
1 1 1 -7  5   23 o 210.976 4.0563  24163.29   926.897  23478.08   1841.51  24395.79   1072.68  207.193 8.2060  211.905 4.6737  -4.712616      9.443584  
1 1 1 -7  5   24 o 215.761 5.1263  25339.51   1197.97  26888.13   1913.75  24341.67   1536.19  221.458 7.9786  211.085 6.7192  10.37209       10.43095  
1 1 1 -7  5   25 o 98.403  3.4219  5260.87    364.705  4918.39    631.560  5432.21    446.716  94.604  6.1979  99.920  4.1277  -5.315689      7.446571  
1 1 1 -7  5   26 o 125.255 3.6284  8539.57    492.246  8657.07    856.167  8481.55    601.625  125.313 6.3285  124.668 4.4556  0.6456909      7.739601  
1 1 1 -7  5   27 o 88.737  3.7662  4295.47    361.978  3864.88    637.266  4500.58    439.819  83.109  7.1491  90.695  4.4773  -7.585640      8.435378  
1 1 1 -7  5   28 o 62.648  3.9350  2154.75    265.651  2203.01    519.550  2137.67    309.113  62.114  7.9016  62.239  4.6184  -0.1256104     9.152278  
1 1 1 -7  5   29 o 78.649  2.8891  3372.09    246.111  3457.29    345.091  3283.91    351.095  79.290  4.0316  77.217  4.2139  2.073471       5.831887  
1 1 1 -7  5   30 o 94.732  3.3873  4915.56    347.547  5778.52    680.473  4611.00    404.250  101.181 6.2397  91.518  4.0783  9.663437       7.454278  
1 1 1 -7  5   31 o 22.819  7.7545  289.202    228.969  267.864    441.307  297.061    267.841  25.701  10.340  23.527  8.3631  2.174238       13.29912  
1 1 1 -7  5   32 o 86.846  3.0585  4141.05    287.694  3973.46    430.211  4276.63    386.941  84.149  4.7395  87.796  4.0691  -3.646378      6.246660  
1 1 1 -7  5   33 f 61.429  4.2084  2125.39    278.318  2391.79    546.010  2031.88    323.499  61.917  8.3552  59.549  5.0637  2.367374       9.769863  
1 1 1 -7  5   34 o 25.395  9.4089  429.275    343.727  0.0000     0.0000   429.275    343.727  ?       ?       25.395  9.4089  0.000000       9.408874  
1 1 1 -7  5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  6   1  o 172.988 3.6858  16213.45   690.584  15297.46   927.027  17355.60   1035.16  167.995 5.0948  178.932 5.3413  -10.93680      7.381509  
1 1 1 -7  6   2  o 412.875 8.0789  92518.13   3612.76  92367.16   6256.48  92593.66   4425.07  411.631 14.033  412.817 9.8967  -1.186188      17.17182  
1 1 1 -7  6   3  o 303.788 5.3099  50022.65   1747.13  49301.61   2470.53  50744.02   2471.09  301.453 7.5666  305.839 7.4598  -4.385712      10.62553  
1 1 1 -7  6   4  o 57.020  2.3532  1761.00    145.330  1737.97    204.013  1784.72    207.077  56.542  3.3462  57.300  3.3512  -0.7577248     4.735804  
1 1 1 -7  6   5  o 400.873 6.8172  87124.58   2959.94  86299.80   3417.71  89599.66   5920.56  398.894 7.9106  405.869 13.468  -6.975037      15.61945  
1 1 1 -7  6   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  6   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  6   8  o 253.411 4.5482  34787.98   1248.34  34269.04   1441.37  36345.52   2497.13  251.500 5.2914  258.905 8.9049  -7.405334      10.35839  
1 1 1 -7  6   9  o 809.321 15.355  356029.19  13459.89 362776.19  16484.99 342535.50  23313.02 816.240 18.647  790.721 27.221  25.51984       32.99521  
1 1 1 -7  6   10 o 465.484 7.8165  117460.90  3940.81  117578.60  7881.62  117421.60  4550.46  465.002 15.649  465.326 9.0287  -0.3240356     18.06692  
1 1 1 -7  6   11 o 375.930 7.4223  76610.66   3022.16  81499.32   5234.47  74166.25   3701.39  387.384 12.476  369.781 9.2417  17.60226       15.52575  
1 1 1 -7  6   12 f 102.938 4.1008  5740.43    457.212  0.0000     0.0000   5740.43    457.212  ?       ?       102.938 4.1008  0.000000       4.100814  
1 1 1 -7  6   13 o 779.371 16.392  331163.31  13837.25 314664.00  33634.90 334524.69  15181.46 745.070 41.849  782.811 17.905  -37.74133      45.51861  
1 1 1 -7  6   14 o 117.988 3.0515  7541.28    389.956  7133.40    767.203  7683.36    452.810  114.533 6.2078  119.089 3.5105  -4.556183      7.131648  
1 1 1 -7  6   15 o 295.409 5.1681  47309.30   1653.59  47496.17   3303.19  47246.80   1910.18  295.528 10.320  295.162 5.9751  0.3659363      11.92461  
1 1 1 -7  6   16 o 180.159 3.6019  17588.64   702.848  17014.37   1402.41  17781.26   812.215  177.016 7.3146  181.124 4.1402  -4.108490      8.405092  
1 1 1 -7  6   17 o 217.182 4.3241  25572.10   1017.15  23728.64   2590.38  25908.15   1105.99  208.197 11.532  218.584 4.6715  -10.38770      12.44258  
1 1 1 -7  6   18 o 352.680 6.0627  67531.48   2315.89  67231.93   4630.09  67631.43   2674.48  350.542 12.195  352.791 6.9992  -2.249237      14.06078  
1 1 1 -7  6   19 o 21.073  6.3101  243.486    155.303  47.209     293.900  319.524    182.928  19.891  8.2688  23.938  6.7590  -4.046404      10.67976  
1 1 1 -7  6   20 o 81.403  3.0240  3591.50    266.617  4002.48    510.010  3436.95    312.757  85.677  5.5254  79.619  3.6268  6.058685       6.609372  
1 1 1 -7  6   21 o 356.460 6.1626  69073.66   2379.26  64194.95   4753.06  70704.89   2748.39  341.479 12.851  360.436 7.0401  -18.95715      14.65310  
1 1 1 -7  6   22 o 203.251 4.2085  22419.42   926.478  22771.30   1739.59  22280.09   1094.64  204.304 7.8614  202.532 4.9901  1.772110       9.311431  
1 1 1 -7  6   23 o 50.768  1.7580  1396.43    96.667   1264.40    142.981  1507.58    131.193  48.214  2.7494  52.741  2.2966  -4.527142      3.582402  
1 1 1 -7  6   24 o 24.136  6.5258  328.697    174.687  283.891    311.436  349.265    211.006  24.870  8.9972  25.038  7.3193  -0.1679020     11.59836  
1 1 1 -7  6   25 o 65.085  3.4407  2307.93    241.684  2376.01    463.493  2282.50    283.239  65.518  6.6224  64.647  4.0659  0.8712463      7.770954  
1 1 1 -7  6   26 o 49.039  4.3486  1322.02    228.579  908.955    479.767  1443.31    259.983  39.433  10.879  51.188  4.7432  -11.75415      11.86800  
1 1 1 -7  6   27 o 76.993  2.9222  3224.43    243.683  3015.21    335.229  3458.86    354.846  74.166  4.1903  79.462  4.1373  -5.296379      5.888636  
1 1 1 -7  6   28 o 63.089  3.9230  2184.95    266.735  2251.58    521.880  2161.39    310.331  62.823  7.8405  62.586  4.6105  0.2369690      9.095613  
1 1 1 -7  6   29 o 72.546  3.6704  2887.92    287.460  2522.71    561.293  3017.77    334.684  66.180  7.9925  74.017  4.1920  -7.837555      9.025081  
1 1 1 -7  6   30 o 33.530  6.6166  655.092    231.759  232.812    455.490  802.606    269.212  25.738  10.452  37.082  6.9585  -11.34359      12.55688  
1 1 1 -7  6   31 o 30.560  7.2607  558.355    236.774  1140.38    455.274  342.569    277.213  42.581  10.036  24.732  8.5290  17.84886       13.17051  
1 1 1 -7  6   32 o 19.828  7.5576  179.984    225.235  102.306    442.671  207.118    261.634  23.093  9.8986  21.183  8.1285  1.910387       12.80839  
1 1 1 -7  6   33 o 30.827  7.2359  588.458    237.454  233.637    467.609  711.746    275.638  24.528  10.329  33.715  7.7152  -9.186466      12.89241  
1 1 1 -7  6   34 o 72.232  5.7969  3121.24    449.703  0.0000     0.0000   3121.24    449.703  ?       ?       72.232  5.7969  0.000000       5.796933  
1 1 1 -7  6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  7   1  o 558.367 18.738  170835.80  11332.41 0.0000     0.0000   170835.80  11332.41 ?       ?       558.367 18.738  0.000000       18.73840  
1 1 1 -7  7   2  o 349.065 5.8622  66060.00   2216.36  66439.88   3134.25  65680.05   3134.56  349.873 8.2709  347.862 8.3195  2.010925       11.73127  
1 1 1 -7  7   3  o 107.195 2.7159  6224.25    315.322  6467.91    442.719  5973.37    449.218  109.262 3.7410  104.999 3.9500  4.262726       5.440393  
1 1 1 -7  7   4  o 562.586 10.812  171954.30  6588.17  171879.09  8068.55  172104.80  11411.85 562.010 13.255  561.021 18.780  0.9888306      22.98699  
1 1 1 -7  7   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  7   6  o 241.141 4.4174  31502.36   1153.73  31212.83   1332.20  32371.03   2307.55  240.014 5.1246  244.310 8.7205  -4.295837      10.11476  
1 1 1 -7  7   7  o 285.393 5.0497  44127.53   1560.91  44516.20   1802.38  42961.47   3121.87  286.628 5.8057  281.415 10.242  5.213715       11.77334  
1 1 1 -7  7   8  o 770.133 17.863  322770.59  14900.52 309582.00  21071.62 335961.50  21073.41 752.227 25.863  783.936 24.819  -31.70886      35.84518  
1 1 1 -7  7   9  o 624.631 10.332  211649.09  6990.19  216677.91  9886.02  206621.20  9885.23  631.500 14.454  616.622 14.801  14.87823       20.68778  
1 1 1 -7  7   10 o 317.915 5.5462  54762.88   1909.74  55560.36   3818.71  54496.91   2205.33  319.977 11.019  317.114 6.4208  2.863403       12.75290  
1 1 1 -7  7   11 f 917.103 21.356  459303.81  21213.52 464441.31  30000.86 454166.50  30000.04 918.432 30.159  908.045 30.503  10.38721       42.89525  
1 1 1 -7  7   12 o 537.845 12.691  157183.30  7392.91  0.0000     0.0000   157183.30  7392.91  ?       ?       537.845 12.691  0.000000       12.69077  
1 1 1 -7  7   13 o 490.534 9.4538  130606.10  5022.81  130047.20  8698.12  130885.70  6152.24  488.364 16.444  490.781 11.574  -2.417603      20.10878  
1 1 1 -7  7   14 o 180.981 3.6491  17745.67   715.294  17792.72   1427.83  17729.91   826.484  181.107 7.2790  180.888 4.2185  0.2186279      8.413033  
1 1 1 -7  7   15 o 283.928 5.0798  43702.28   1562.16  45808.59   3123.46  42999.66   1803.99  290.268 9.9350  281.585 5.9150  8.683167       11.56247  
1 1 1 -7  7   16 o 219.892 4.1328  26207.90   984.293  27581.11   1963.36  25746.91   1137.57  225.311 8.0454  217.916 4.8197  7.394699       9.378596  
1 1 1 -7  7   17 o 259.731 4.9626  36586.41   1396.04  35889.21   2608.54  36866.26   1652.64  256.763 9.3798  260.648 5.8540  -3.884521      11.05669  
1 1 1 -7  7   18 o 388.496 7.9369  82095.08   3339.71  88754.73   8543.75  80893.95   3628.41  399.434 19.748  385.475 8.6906  13.95905       21.57608  
1 1 1 -7  7   19 o 228.715 4.8997  28382.86   1213.78  27782.35   2910.45  28509.30   1335.45  224.912 11.991  229.180 5.3800  -4.267532      13.14241  
1 1 1 -7  7   20 o 148.877 3.3811  12015.35   545.206  12318.52   1039.94  11900.44   640.250  150.549 6.3776  148.134 3.9905  2.414719       7.523165  
1 1 1 -7  7   21 o 55.327  2.3149  1658.63    138.719  1538.44    390.191  1676.02    148.415  52.713  7.0079  55.614  2.4639  -2.901531      7.428455  
1 1 1 -7  7   22 o 144.370 3.3042  11302.16   516.666  11438.73   1005.36  11253.15   602.285  144.979 6.4024  144.022 3.8610  0.9567413      7.476545  
1 1 1 -7  7   23 o 106.877 3.1047  6194.87    359.401  5716.18    692.851  6371.09    420.382  102.249 6.2867  108.361 3.5818  -6.112129      7.235432  
1 1 1 -7  7   24 o ?       ?       -233.1239  27.300   -235.9036  27.580   -98.1683   192.171  ?       ?       13.672  6.1587  0.000000       6.158720  
1 1 1 -7  7   25 o 35.078  1.8847  668.952    71.342   280.796    365.121  684.359    72.744   25.774  9.6679  35.480  1.8999  -9.706116      9.852763  
1 1 1 -7  7   26 o 69.412  3.4257  2621.23    257.542  2785.44    543.951  2573.78    292.391  70.656  7.2089  68.617  3.9509  2.038734       8.220585  
1 1 1 -7  7   27 o 57.283  2.6562  1783.54    164.799  1654.32    196.978  2085.01    300.863  55.014  3.3214  61.556  4.5447  -6.542744      5.629043  
1 1 1 -7  7   28 o 77.952  3.5285  3317.28    297.916  3208.97    582.682  3355.62    346.651  75.406  7.2228  78.187  4.1079  -2.780930      8.309204  
1 1 1 -7  7   29 o 16.734  7.0107  37.829     213.621  -313.1917  419.120  161.023    248.293  18.629  8.6505  20.331  7.8867  -1.702181      11.70605  
1 1 1 -7  7   30 o 37.037  6.0557  787.799    234.523  809.976    459.124  779.970    272.798  36.130  10.856  36.469  7.1620  -0.3386612     13.00606  
1 1 1 -7  7   31 o 37.793  6.1841  828.168    244.383  1055.53    468.520  743.189    286.437  40.667  10.548  35.162  7.7317  5.505596       13.07785  
1 1 1 -7  7   32 o 57.484  2.7988  1810.37    174.255  2083.08    528.679  1777.13    184.569  58.463  8.6067  56.826  3.0095  1.636486       9.117694  
1 1 1 -7  7   33 o 31.372  7.1720  608.398    238.388  516.305    466.982  640.855    277.232  28.685  10.894  31.771  8.0474  -3.086521      13.54440  
1 1 1 -7  7   34 o 22.739  9.0822  291.741    337.752  0.0000     0.0000   291.741    337.752  ?       ?       22.739  9.0822  0.000000       9.082237  
1 1 1 -7  7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  8   1  o 280.965 4.8446  42783.30   1474.27  42585.93   2084.77  42980.74   2085.09  280.208 6.8692  281.506 6.8386  -1.297821      9.692924  
1 1 1 -7  8   2  o 305.570 5.3031  50611.05   1755.13  49374.80   2481.85  51847.83   2482.40  301.674 7.5957  309.150 7.4136  -7.475952      10.61399  
1 1 1 -7  8   3  f 212.353 3.9641  24432.03   911.745  25695.76   1289.27  23167.78   1289.53  217.730 5.4671  206.732 5.7591  10.99754       7.940785  
1 1 1 -7  8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  8   5  o 624.415 20.812  213191.00  14075.09 213191.00  14075.09 0.0000     0.0000   624.415 20.812  ?       ?       0.000000       20.81171  
1 1 1 -7  8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  8   7  o 448.639 7.5246  109101.50  3656.36  108557.00  4222.03  110734.80  7312.59  447.449 8.7118  451.378 14.958  -3.929108      17.30965  
1 1 1 -7  8   8  o 67.703  2.4766  2482.54    181.605  2949.64    260.961  2043.89    252.887  73.795  3.2649  61.308  3.8275  12.48769       5.030886  
1 1 1 -7  8   9  o 647.837 10.690  227696.80  7501.13  223678.50  10608.42 231714.91  10607.98 641.493 15.268  652.957 15.000  -11.46417      21.40338  
1 1 1 -7  8   10 o 383.160 7.4951  79581.80   3110.50  79228.52   5386.64  79758.52   3809.90  381.943 13.021  383.495 9.1724  -1.551819      15.92744  
1 1 1 -7  8   11 o 74.099  2.7408  2973.89    219.967  2586.15    297.623  3440.65    326.545  68.978  4.0009  79.697  3.7829  -10.71876      5.506134  
1 1 1 -7  8   12 o 563.148 18.822  173024.30  11480.15 0.0000     0.0000   173024.30  11480.15 ?       ?       563.148 18.822  0.000000       18.82151  
1 1 1 -7  8   13 o 387.519 7.6853  81449.57   3225.71  83291.22   5585.51  80527.96   3951.23  391.297 13.179  385.168 9.4714  6.129089       16.22947  
1 1 1 -7  8   14 o 636.630 11.527  220432.20  7948.22  233298.50  22862.56 218663.30  8476.98  644.448 32.863  633.870 12.347  10.57697       35.10636  
1 1 1 -7  8   15 o 296.227 5.4807  47579.15   1758.46  49403.79   3276.33  46840.87   2084.06  301.423 10.036  293.843 6.5482  7.579742       11.98299  
1 1 1 -7  8   16 o 249.993 4.5727  33880.90   1238.13  35273.47   2475.09  33416.12   1429.90  254.695 8.9722  248.226 5.3185  6.469116       10.43010  
1 1 1 -7  8   17 o 160.254 3.3795  13917.28   586.581  13138.49   1163.71  14182.56   679.173  155.538 6.9078  161.757 3.8766  -6.219299      7.921230  
1 1 1 -7  8   18 o 72.155  2.9912  2821.24    233.762  3106.32    444.903  2712.53    274.741  75.459  5.4810  70.649  3.6024  4.809807       6.558874  
1 1 1 -7  8   19 o 209.893 4.0340  23888.95   917.084  24264.85   1826.69  23762.28   1060.41  211.140 7.9878  209.289 4.6780  1.850876       9.256759  
1 1 1 -7  8   20 o 127.376 3.1390  8794.17    433.056  8874.16    850.010  8766.13    503.268  127.796 6.1410  127.153 3.6543  0.6427689      7.146020  
1 1 1 -7  8   21 o 227.037 4.2881  27966.79   1054.47  29202.58   2096.11  27548.08   1220.10  231.397 8.3635  225.256 5.0009  6.141235       9.744564  
1 1 1 -7  8   22 f 239.503 4.7133  31147.28   1222.67  30620.26   3171.78  31239.26   1325.08  235.274 12.492  239.801 5.1018  -4.527573      13.49329  
1 1 1 -7  8   23 o 193.227 4.0018  20268.12   837.518  21029.22   1571.46  19966.18   989.804  196.256 7.3928  191.686 4.7675  4.570175       8.796762  
1 1 1 -7  8   24 o 84.391  3.1151  3864.32    284.736  3682.53    559.755  3927.79    330.720  81.890  6.3609  85.054  3.5900  -3.163826      7.304034  
1 1 1 -7  8   25 o 65.393  2.0993  2318.68    148.688  2489.87    233.952  2202.68    192.585  67.708  3.1902  63.705  2.7911  4.002949       4.238809  
1 1 1 -7  8   26 o ?       ?       -124.5697  22.061   -142.6311  416.100  -124.5187  22.093   20.621  9.1927  ?       ?       0.000000       9.192736  
1 1 1 -7  8   27 o 73.983  3.5945  2984.23    288.028  3097.71    563.552  2944.10    335.101  74.350  7.0838  73.268  4.2408  1.081528       8.256212  
1 1 1 -7  8   28 o 82.628  3.4548  3726.14    309.183  4325.12    608.082  3517.29    359.060  87.977  6.4260  80.037  4.1563  7.939384       7.652950  
1 1 1 -7  8   29 o 30.413  6.9671  539.859    224.567  516.494    439.863  548.096    261.169  30.593  10.733  30.495  7.8581  0.9801292E-01  13.30188  
1 1 1 -7  8   30 o 86.847  2.9822  4121.32    280.521  3155.65    631.771  4358.46    313.076  73.611  8.0555  89.240  3.2391  -15.62833      8.682291  
1 1 1 -7  8   31 o 108.932 3.3114  6514.63    390.690  5922.15    784.502  6710.04    450.534  101.118 7.2102  110.332 3.7701  -9.213860      8.136424  
1 1 1 -7  8   32 o 35.383  2.2281  685.685    84.953   1413.92    472.692  661.378    86.359   47.378  9.5415  34.734  2.3087  12.64436       9.816876  
1 1 1 -7  8   33 o 31.410  7.2660  612.248    242.276  166.984    472.681  770.907    282.158  23.695  10.194  35.129  7.6338  -11.43405      12.73588  
1 1 1 -7  8   34 o 45.200  8.0074  1336.89    377.660  0.0000     0.0000   1336.89    377.660  ?       ?       45.200  8.0074  0.000000       8.007363  
1 1 1 -7  8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  9   1  o 368.013 6.3366  73436.40   2525.75  71935.11   3571.78  74937.98   3572.13  363.993 9.0599  371.532 8.8769  -7.538666      12.68387  
1 1 1 -7  9   2  o 234.289 4.3011  29743.24   1091.44  30411.65   1543.21  29074.28   1543.85  236.843 6.0158  231.571 6.1553  5.272186       8.606854  
1 1 1 -7  9   3  o 113.640 2.7536  6995.14    338.926  6992.71    391.033  7002.50    679.552  113.616 3.1776  113.662 5.5199  -0.4647827E-01 6.369232  
1 1 1 -7  9   4  o 135.125 2.9758  9890.32    435.518  9600.13    502.276  10769.52   874.265  133.123 3.4835  140.961 5.7263  -7.838394      6.702639  
1 1 1 -7  9   5  o 465.412 7.8229  117458.10  3943.44  116640.90  4553.28  119910.50  7888.02  463.687 9.0663  469.349 15.517  -5.661652      17.97133  
1 1 1 -7  9   6  o 51.017  2.4050  1409.65    132.891  1625.30    154.955  810.008    258.391  54.780  2.6117  38.130  6.4890  16.64943       6.994876  
1 1 1 -7  9   7  o 375.260 6.3965  76310.69   2599.85  73355.77   3676.62  79265.98   3676.86  367.794 9.2294  382.342 8.8788  -14.54861      12.80684  
1 1 1 -7  9   8  o 468.351 7.8883  118903.80  4001.52  117009.50  5659.28  120797.60  5658.73  464.378 11.252  471.850 11.073  -7.471466      15.78611  
1 1 1 -7  9   9  o 454.868 7.6107  112153.10  3749.58  107695.60  5302.78  116610.40  5302.63  445.514 10.989  463.621 10.560  -18.10690      15.24060  
1 1 1 -7  9   10 o 583.774 9.6256  184847.70  6086.14  184346.00  8607.51  185349.30  8606.71  582.519 13.643  584.107 13.604  -1.588135      19.26645  
1 1 1 -7  9   11 o 83.196  3.2277  3749.13    290.851  3468.80    496.160  3895.89    359.003  79.799  5.7797  84.805  3.9085  -5.005600      6.977170  
1 1 1 -7  9   12 o 232.719 6.1136  29352.89   1541.00  0.0000     0.0000   29352.89   1541.00  ?       ?       232.719 6.1136  0.000000       6.113639  
1 1 1 -7  9   13 o 342.312 6.8007  63535.19   2521.42  60603.59   4364.75  65003.48   3088.96  333.886 12.070  346.147 8.2391  -12.26123      14.61363  
1 1 1 -7  9   14 o 766.697 12.618  320000.41  10478.21 301459.81  20955.16 326181.59  12099.44 737.818 26.222  773.443 14.443  -35.62463      29.93694  
1 1 1 -7  9   15 o 134.783 3.1550  9842.08    460.575  10016.12   919.002  9783.70    532.241  135.888 6.2440  134.373 3.6570  1.515182       7.236126  
1 1 1 -7  9   16 o 140.484 3.2645  10693.71   496.722  11881.71   991.950  10296.12   573.854  147.977 6.1891  137.833 3.8440  10.14394       7.285658  
1 1 1 -7  9   17 o 127.573 3.0277  8818.60    418.350  8069.83    822.821  9079.65    485.832  121.768 6.2600  129.437 3.4654  -7.669197      7.155205  
1 1 1 -7  9   18 o 163.846 3.5109  14550.80   623.049  13272.27   1182.41  15042.25   733.079  156.281 6.9854  166.565 4.0635  -10.28392      8.081290  
1 1 1 -7  9   19 o 210.490 3.9957  24024.65   910.952  23154.79   1813.71  24318.11   1053.47  206.235 8.1196  211.729 4.5938  -5.494064      9.329047  
1 1 1 -7  9   20 o 211.989 4.3508  24378.25   998.968  24307.82   2526.98  24391.30   1087.56  210.416 11.128  212.013 4.7361  -1.597031      12.09351  
1 1 1 -7  9   21 o 58.029  3.4438  1832.23    215.481  1835.54    400.862  1830.88    255.541  57.730  6.5255  57.951  4.0977  -0.2207680     7.705408  
1 1 1 -7  9   22 o 19.334  6.7663  179.912    174.775  -206.3826  331.297  328.880    205.733  17.508  7.9662  24.412  7.2520  -6.903641      10.77273  
1 1 1 -7  9   23 o 75.918  2.7229  3124.76    223.896  3124.95    323.948  3124.58    309.798  75.770  3.9611  75.877  3.7696  -0.1067657     5.468132  
1 1 1 -7  9   24 o 100.862 3.1343  5520.25    342.399  4828.75    662.629  5772.15    399.928  93.795  6.5640  103.106 3.5812  -9.311134      7.477331  
1 1 1 -7  9   25 o 124.382 3.1571  8402.24    425.324  8595.38    841.824  8336.03    492.855  125.294 6.2033  123.828 3.6748  1.465302       7.210037  
1 1 1 -7  9   26 o 170.970 3.5465  15910.03   656.733  18397.27   1322.53  15095.98   756.610  182.678 6.6842  166.370 4.1988  16.30821       7.893537  
1 1 1 -7  9   27 o 121.990 3.3153  8105.95    438.038  8520.19    866.115  7963.58    507.765  123.908 6.4762  120.785 3.8813  3.122818       7.550180  
1 1 1 -7  9   28 o 72.153  3.6475  2851.03    284.128  3135.45    555.929  2750.47    330.562  74.621  6.9586  70.703  4.3376  3.918617       8.199845  
1 1 1 -7  9   29 o 52.567  4.4205  1530.36    249.345  1697.20    488.737  1471.66    289.914  53.803  8.6824  51.295  5.2944  2.507973       10.16927  
1 1 1 -7  9   30 o 85.600  2.9903  4004.13    277.238  4465.03    629.122  3893.05    308.843  88.651  6.5994  84.298  3.3826  4.352753       7.415765  
1 1 1 -7  9   31 o 31.661  1.4378  544.273    49.306   567.952    449.712  543.985    49.605   30.850  10.850  31.652  1.4470  -0.8019791     10.94654  
1 1 1 -7  9   32 o ?       ?       -273.3947  34.729   33.112     425.275  -275.4524  34.845   21.850  9.5329  ?       ?       0.000000       9.532926  
1 1 1 -7  9   33 o 101.328 3.2018  5680.59    351.392  5845.64    741.885  5632.86    398.986  98.771  6.9798  100.574 3.6627  -1.802956      7.882465  
1 1 1 -7  9   34 o 20.038  8.7021  108.494    350.968  0.0000     0.0000   108.494    350.968  ?       ?       20.038  8.7021  0.000000       8.702138  
1 1 1 -7  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  10  1  o 457.114 11.024  113572.70  5458.25  109341.10  7720.89  117800.40  7717.38  447.632 15.925  464.754 15.331  -17.12213      22.10535  
1 1 1 -7  10  2  o 605.453 11.495  199285.09  7537.73  207285.00  13056.73 195286.00  9231.43  615.234 19.594  598.733 14.235  16.50140       24.21919  
1 1 1 -7  10  3  o 195.687 3.6631  20745.38   776.401  20820.66   896.096  20518.71   1554.96  196.030 4.2205  194.507 7.3810  1.522873       8.502422  
1 1 1 -7  10  4  f 120.539 2.8278  7870.02    369.190  7573.47    425.926  8766.00    740.350  118.242 3.3258  127.184 5.3745  -8.942085      6.320266  
1 1 1 -7  10  5  o 638.889 14.967  222056.91  10357.26 222056.91  10357.26 0.0000     0.0000   638.889 14.967  ?       ?       0.000000       14.96749  
1 1 1 -7  10  6  o 354.264 6.0262  68009.35   2312.27  67177.05   3270.09  68841.59   3269.98  351.976 8.5778  356.316 8.4731  -4.339600      12.05701  
1 1 1 -7  10  7  o 742.976 24.620  301758.00  19812.61 301758.00  19812.61 0.0000     0.0000   742.976 24.620  ?       ?       0.000000       24.62048  
1 1 1 -7  10  8  o 558.516 9.3191  169156.41  5637.41  164699.70  7972.55  173613.00  7972.44  550.724 13.366  565.469 13.017  -14.74548      18.65708  
1 1 1 -7  10  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  10  10 o 645.047 10.648  225770.20  7439.14  225729.70  10520.92 225810.70  10520.14 644.362 15.075  644.478 15.071  -0.1162109     21.31637  
1 1 1 -7  10  11 f 228.799 4.8799  28362.41   1209.30  25206.97   2088.67  29953.54   1483.18  215.582 8.9452  235.107 5.8245  -19.52472      10.67430  
1 1 1 -7  10  12 o 911.890 21.275  454730.41  21013.16 0.0000     0.0000   454730.41  21013.16 ?       ?       911.890 21.275  0.000000       21.27544  
1 1 1 -7  10  13 o 603.639 11.573  198040.91  7566.34  190726.59  13103.98 201699.20  9267.30  590.129 20.502  608.670 14.057  -18.54126      24.85799  
1 1 1 -7  10  14 o 237.232 4.4041  30497.77   1131.62  26406.94   2260.62  31865.60   1307.19  220.491 9.4660  242.472 4.9775  -21.98126      10.69491  
1 1 1 -7  10  15 o 382.238 6.5675  79266.70   2718.97  78956.17   5436.99  79370.26   3139.77  380.449 13.194  382.373 7.5813  -1.923859      15.21741  
1 1 1 -7  10  16 o 539.141 9.0229  158080.91  5268.88  158485.59  10536.29 157945.91  6084.27  536.405 18.135  538.529 10.431  -2.123779      20.92118  
1 1 1 -7  10  17 o 429.743 7.2453  100331.90  3372.37  91779.57   6741.46  103186.30  3894.70  408.809 15.225  435.607 8.2549  -26.79855      17.31906  
1 1 1 -7  10  18 f 209.104 4.1965  23708.66   950.438  22733.24   2384.76  23892.85   1036.30  203.754 10.845  209.891 4.5585  -6.137085      11.76423  
1 1 1 -7  10  19 o 197.791 4.0156  21213.69   860.261  20849.64   1618.98  21356.92   1015.48  195.757 7.6358  198.409 4.7254  -2.652145      8.979710  
1 1 1 -7  10  20 o 254.237 4.6345  35071.61   1276.18  35297.00   2545.63  34995.95   1474.90  254.325 9.2414  253.880 5.3637  0.4453583      10.68513  
1 1 1 -7  10  21 o 95.913  3.0178  4986.59    313.506  4310.68    612.785  5226.23    364.873  88.802  6.4142  98.177  3.4313  -9.375137      7.274368  
1 1 1 -7  10  22 o 88.415  2.8378  4237.56    271.758  4457.34    590.548  4178.52    306.094  90.320  6.0720  87.784  3.2193  2.535141       6.872679  
1 1 1 -7  10  23 o 190.638 3.7910  19724.55   782.758  19860.30   1560.60  19678.92   904.803  190.674 7.5567  190.346 4.3887  0.3279419      8.738669  
1 1 1 -7  10  24 o 114.305 3.0423  7089.14    376.643  7309.28    715.650  7004.80    442.952  115.790 5.7064  113.580 3.6007  2.210075       6.747418  
1 1 1 -7  10  25 o 84.577  3.1344  3884.91    287.133  3975.31    554.376  3851.76    335.664  85.017  6.0602  84.170  3.6819  0.8466415      7.090995  
1 1 1 -7  10  26 o 107.745 3.0027  6310.06    350.419  6818.40    634.450  6086.92    420.352  111.581 5.2497  105.727 3.6708  5.853958       6.405774  
1 1 1 -7  10  27 o 94.648  3.3309  4880.02    341.463  4724.15    672.582  4934.15    396.341  92.041  6.7947  95.078  3.8487  -3.036423      7.809063  
1 1 1 -7  10  28 o 29.738  1.3730  479.534    44.223   486.918    44.913   244.817    253.219  29.966  1.3838  22.462  8.1148  7.504505       8.231971  
1 1 1 -7  10  29 o 14.240  6.2669  -42.0689   187.356  330.700    414.845  -137.5841  209.992  26.879  10.254  13.661  6.2637  13.21777       12.01581  
1 1 1 -7  10  30 o 42.621  1.8741  987.272    86.512   0.0000     0.0000   987.272    86.512   ?       ?       42.621  1.8741  0.000000       1.874071  
1 1 1 -7  10  31 f 50.202  4.8237  1416.91    259.057  899.084    495.541  1611.65    303.890  37.261  11.297  53.360  5.3294  -16.09912      12.49136  
1 1 1 -7  10  32 o 51.662  4.6439  1503.51    257.074  1090.02    502.111  1650.41    299.273  40.442  11.118  53.893  5.1912  -13.45058      12.27016  
1 1 1 -7  10  33 o 69.237  3.9601  2691.02    295.736  2133.05    577.320  2889.53    344.347  56.913  9.7142  71.408  4.4748  -14.49500      10.69532  
1 1 1 -7  10  34 o 30.732  9.8445  689.986    370.815  0.0000     0.0000   689.986    370.815  ?       ?       30.732  9.8445  0.000000       9.844512  
1 1 1 -7  10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  11  1  o 259.218 5.3636  36419.12   1505.88  35434.46   2606.07  36912.69   1845.09  255.469 9.4184  260.916 6.5290  -5.447128      11.46012  
1 1 1 -7  11  2  o 439.146 8.5636  104649.80  4073.17  104416.70  4988.00  105116.20  7056.64  438.432 10.504  439.234 14.833  -0.8019104     18.17564  
1 1 1 -7  11  3  o 223.533 4.2247  27072.00   1022.83  28355.19   1180.80  23215.72   2047.00  228.755 4.7658  206.829 9.1377  21.92639       10.30584  
1 1 1 -7  11  4  o 292.090 5.1231  46230.63   1620.77  46196.70   1871.18  46332.57   3243.25  291.954 5.9174  292.153 10.249  -0.1990051     11.83498  
1 1 1 -7  11  5  o 89.771  2.5330  4364.80    246.288  4521.75    284.273  3892.42    493.182  91.369  2.8725  84.583  5.4118  6.786362       6.126886  
1 1 1 -7  11  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  11  8  o 631.893 10.476  216600.20  7169.62  210169.09  10139.39 223031.30  10139.37 621.885 15.053  640.696 14.611  -18.81122      20.97835  
1 1 1 -7  11  9  o 328.523 5.6625  58478.52   2014.84  57600.60   2849.53  59356.30   2849.32  325.961 8.0712  330.896 7.9502  -4.935608      11.32916  
1 1 1 -7  11  10 o 718.394 11.783  280159.69  9168.25  280553.31  12966.27 279766.09  12965.47 718.038 16.672  717.025 16.695  1.012878       23.59422  
1 1 1 -7  11  11 o 612.372 17.506  204271.30  11611.02 223010.00  21473.54 196529.00  13802.81 635.836 31.181  599.830 21.246  36.00549       37.73093  
1 1 1 -7  11  12 o 210.669 4.6829  24046.38   1068.52  0.0000     0.0000   24046.38   1068.52  ?       ?       210.669 4.6829  0.000000       4.682878  
1 1 1 -7  11  13 o 288.645 6.2013  45167.45   1938.72  47633.50   3051.33  43497.95   2510.62  296.208 9.5109  283.149 8.1865  13.05939       12.54893  
1 1 1 -7  11  14 o 505.854 8.4507  138913.59  4630.10  129635.00  9258.77  142007.70  5346.66  486.716 17.563  511.268 9.6553  -24.55231      20.04235  
1 1 1 -7  11  15 o 563.297 9.9695  172564.80  6082.52  167345.41  11241.31 174725.50  7232.76  551.741 18.811  566.336 11.791  -14.59576      22.20106  
1 1 1 -7  11  16 o 311.569 6.3697  52683.42   2149.52  46527.52   3670.69  55896.03   2651.74  292.079 11.603  320.779 7.6323  -28.69919      13.88831  
1 1 1 -7  11  17 f 58.289  3.1227  1846.32    196.425  1697.13    372.777  1903.66    231.113  55.558  6.3066  59.154  3.6246  -3.596130      7.273995  
1 1 1 -7  11  18 o 170.255 3.4883  15711.58   643.255  13934.84   1274.99  16318.25   745.024  160.100 7.3527  173.489 3.9649  -13.38885      8.353536  
1 1 1 -7  11  19 o 352.051 6.0949  67321.34   2324.04  66586.79   4644.06  67566.76   2684.35  348.527 12.302  352.518 7.0305  -3.991180      14.16961  
1 1 1 -7  11  20 o 305.759 5.7948  50782.41   1919.07  49332.66   5215.00  51009.48   2063.90  297.891 16.224  306.372 6.2197  -8.480499      17.37564  
1 1 1 -7  11  21 o 224.003 4.4829  27230.16   1087.64  26702.07   2040.58  27439.72   1285.46  221.221 8.5164  224.773 5.2801  -3.551346      10.02044  
1 1 1 -7  11  22 o 68.909  3.3262  2574.99    248.255  3174.87    488.483  2366.09    288.256  76.171  5.9687  65.909  4.0577  10.26204       7.217378  
1 1 1 -7  11  23 o 138.303 3.3303  10376.31   498.859  10512.93   979.729  10328.49   579.625  138.875 6.5134  137.941 3.8796  0.9339142      7.581287  
1 1 1 -7  11  24 o 151.023 3.3807  12381.15   552.999  13578.28   1100.81  11977.06   639.557  157.663 6.4463  148.470 3.9771  9.192184       7.574476  
1 1 1 -7  11  25 o 139.737 3.2369  10607.20   489.900  10279.63   972.188  10718.69   567.176  136.911 6.5560  140.399 3.7298  -3.487747      7.542744  
1 1 1 -7  11  26 o 37.001  1.0125  741.744    40.578   516.535    429.001  743.777    40.761   31.144  10.614  37.052  1.0157  -5.908089      10.66275  
1 1 1 -7  11  27 f 100.867 3.2869  5541.77    359.090  5212.18    708.411  5655.75    416.574  96.687  6.8082  101.804 3.7779  -5.117752      7.786151  
1 1 1 -7  11  28 o 43.869  1.9422  1044.84    92.284   1079.28    98.184   783.776    270.300  44.581  2.0334  36.879  7.0236  7.702030       7.311972  
1 1 1 -7  11  29 o ?       ?       -229.7796  27.016   -23.4433   419.111  -230.6405  27.073   21.706  9.4671  ?       ?       0.000000       9.467068  
1 1 1 -7  11  30 o 61.932  2.7217  2093.05    182.569  2006.87    221.003  2278.22    323.970  60.426  3.3905  63.971  4.7088  -3.545303      5.802453  
1 1 1 -7  11  31 o 25.412  7.6103  382.990    225.886  346.168    444.447  395.814    262.288  26.906  10.520  25.922  8.2770  0.9838257      13.38555  
1 1 1 -7  11  32 o 31.572  7.0181  599.971    233.768  636.798    460.621  587.195    271.303  31.699  10.991  30.864  8.0367  0.8344440      13.61556  
1 1 1 -7  11  33 o 71.159  2.8997  2792.36    223.491  2647.72    291.789  2997.64    347.618  68.672  3.9395  72.744  4.4332  -4.071976      5.930669  
1 1 1 -7  11  34 o 28.078  12.672  489.761    818.093  0.0000     0.0000   489.761    818.093  ?       ?       28.078  12.672  0.000000       12.67223  
1 1 1 -7  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  12  1  o 379.547 6.1088  78092.38   2511.25  75624.24   3551.19  80561.20   3551.69  373.302 8.7830  385.318 8.5103  -12.01688      12.22976  
1 1 1 -7  12  2  o 403.923 7.4384  88482.59   3254.25  88739.89   3481.90  86705.66   9150.07  404.469 7.9481  397.246 21.345  7.223053       22.77646  
1 1 1 -7  12  3  o 320.348 5.5835  55617.09   1937.31  55829.53   2236.62  54978.88   3876.68  320.921 6.4346  318.144 11.250  2.776917       12.96052  
1 1 1 -7  12  4  o 513.388 8.5716  142957.41  4766.29  144899.20  5503.38  137129.91  9533.93  516.737 9.8331  501.575 17.550  15.16177       20.11658  
1 1 1 -7  12  5  o 756.633 25.110  313628.69  20577.85 313628.69  20577.85 0.0000     0.0000   756.633 25.110  ?       ?       0.000000       25.10986  
1 1 1 -7  12  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  12  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  12  8  o 203.241 3.9000  22375.07   858.521  21565.45   1214.40  23183.97   1213.86  199.505 5.6200  206.860 5.4178  -7.354706      7.806239  
1 1 1 -7  12  9  o 740.980 13.918  298278.00  11170.18 295408.31  13680.94 304016.69  19346.41 736.808 17.143  745.778 23.951  -8.969666      29.45388  
1 1 1 -7  12  10 o 118.611 3.1697  7620.18    407.206  6226.94    684.402  8383.66    506.638  107.034 5.9268  124.407 3.7600  -17.37300      7.018831  
1 1 1 -7  12  11 o 522.968 12.330  148548.00  6983.93  152253.70  9877.61  144843.59  9875.92  528.708 17.249  515.606 17.684  13.10187       24.70358  
1 1 1 -7  12  12 o 418.504 8.2025  94994.36   3718.05  0.0000     0.0000   94994.36   3718.05  ?       ?       418.504 8.2025  0.000000       8.202480  
1 1 1 -7  12  13 o 498.418 8.3534  134797.00  4509.46  134436.80  9018.43  134917.00  5207.18  496.276 16.778  498.477 9.6447  -2.200928      19.35246  
1 1 1 -7  12  14 o 631.779 10.483  216982.09  7173.33  223470.59  14345.88 214818.91  8283.19  637.622 20.773  628.207 12.174  9.415344       24.07712  
1 1 1 -7  12  15 o 80.887  2.9041  3544.51    254.426  3266.42    486.670  3649.10    298.460  77.386  5.8495  82.067  3.3578  -4.680656      6.744740  
1 1 1 -7  12  16 o 149.445 3.2475  12101.79   525.655  10684.81   1039.26  12588.92   609.348  140.288 6.8396  152.411 3.6913  -12.12257      7.772120  
1 1 1 -7  12  17 f 141.809 3.2374  10897.50   497.248  9948.62    1084.05  11150.34   559.590  135.105 7.4368  143.433 3.6020  -8.328690      8.263213  
1 1 1 -7  12  18 o 301.279 5.3433  49257.37   1743.60  49766.86   3483.16  49087.02   2014.11  301.914 10.652  300.653 6.1851  1.260376       12.31728  
1 1 1 -7  12  19 f 151.208 3.3488  12393.24   548.446  12273.48   1087.28  12434.11   635.173  150.272 6.6803  151.434 3.8726  -1.161896      7.721577  
1 1 1 -7  12  20 o 153.267 3.3894  12734.80   562.662  12685.58   1119.10  12751.46   650.917  152.734 6.7650  153.341 3.9192  -0.6069336     7.818239  
1 1 1 -7  12  21 o 147.887 3.3189  11857.63   531.603  11220.52   1055.77  12074.02   615.294  143.596 6.7882  149.203 3.8075  -5.606796      7.783098  
1 1 1 -7  12  22 f 93.290  3.1475  4718.89    318.034  4734.23    612.619  4713.23    372.104  93.087  6.1101  93.213  3.6857  -0.1259308     7.135654  
1 1 1 -7  12  23 o 146.669 3.3577  11670.41   533.406  11260.30   1058.28  11810.08   617.592  143.677 6.8005  147.502 3.8657  -3.824997      7.822490  
1 1 1 -7  12  24 o 146.763 3.3851  11693.03   538.088  10851.00   1037.03  12003.25   629.452  140.862 6.7972  148.636 3.9099  -7.774551      7.841489  
1 1 1 -7  12  25 o 155.007 3.5927  13062.23   603.181  13316.56   1296.40  12991.96   681.432  155.438 7.7004  154.505 4.0720  0.9327240      8.710777  
1 1 1 -7  12  26 o 92.016  2.8441  4600.92    283.447  5220.08    651.472  4456.34    314.805  97.200  6.2208  90.516  3.2110  6.683723       7.000604  
1 1 1 -7  12  27 o 41.088  5.4896  944.723    238.189  794.639    454.988  1001.38    279.558  36.734  10.751  42.112  6.3245  -5.378006      12.47294  
1 1 1 -7  12  28 o 66.333  3.8919  2415.27    278.393  2578.20    531.151  2353.55    326.891  67.406  7.3969  65.290  4.6531  2.115707       8.738701  
1 1 1 -7  12  29 o 57.259  2.0340  1781.60    126.146  1824.51    502.908  1778.72    130.312  55.831  8.5920  57.206  2.1032  -1.374355      8.845665  
1 1 1 -7  12  30 o 52.433  2.3595  1497.49    133.996  1525.30    149.577  1384.48    301.522  52.883  2.6114  49.424  5.7395  3.459370       6.305652  
1 1 1 -7  12  31 o 25.292  7.6159  379.140    225.767  910.288    446.719  196.937    261.640  37.700  10.533  21.093  8.1200  16.60696       13.29989  
1 1 1 -7  12  32 o 23.389  7.6955  318.692    225.752  566.271    444.995  232.891    261.966  30.303  10.779  21.710  8.1801  8.593424       13.53140  
1 1 1 -7  12  33 o ?       ?       -259.0038  33.395   -261.8050  33.677   -94.1872   258.323  ?       ?       15.506  7.0473  0.000000       7.047271  
1 1 1 -7  12  34 o 25.192  11.731  117.630    779.435  0.0000     0.0000   117.630    779.435  ?       ?       25.192  11.731  0.000000       11.73096  
1 1 1 -7  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  13  2  o 437.985 8.7429  104078.10  4147.47  110103.50  5078.67  92013.84   7186.27  450.312 10.413  410.908 16.147  39.40338       19.21320  
1 1 1 -7  13  3  o 185.283 3.8396  18597.40   770.534  18765.48   841.573  17726.02   1916.20  186.112 4.1749  180.458 9.8410  5.654556       10.68991  
1 1 1 -7  13  4  o 664.297 15.705  240152.50  11299.92 263862.00  15979.86 216439.20  15981.16 694.918 21.231  628.762 23.467  66.15570       31.64549  
1 1 1 -7  13  5  o 796.370 26.414  347649.31  22783.13 347649.31  22783.13 0.0000     0.0000   796.370 26.414  ?       ?       0.000000       26.41363  
1 1 1 -7  13  6  o 464.503 7.8150  116959.70  3931.76  115966.00  5560.22  117953.40  5560.47  462.299 11.104  466.251 11.011  -3.952087      15.63806  
1 1 1 -7  13  7  o 527.132 8.8092  150657.00  5029.49  146573.00  7112.70  154741.20  7112.86  519.616 12.638  533.932 12.300  -14.31622      17.63517  
1 1 1 -7  13  8  o 134.540 3.0130  9803.94    439.055  9862.01    621.659  9746.15    620.178  134.928 4.2538  134.133 4.2689  0.7950897      6.026456  
1 1 1 -7  13  9  f 480.676 8.0110  125257.30  4170.73  129872.80  5898.79  120643.20  5897.81  489.212 11.133  471.472 11.550  17.74011       16.04138  
1 1 1 -7  13  10 o 415.628 8.1207  93660.56   3655.70  90907.33   6329.96  95038.41   4477.96  408.974 14.290  418.557 9.8777  -9.582886      17.37167  
1 1 1 -7  13  11 o 561.960 10.816  171415.00  6583.25  170651.09  8063.41  172942.20  11400.83 560.380 13.285  563.176 18.691  -2.796570      22.93100  
1 1 1 -7  13  12 o 134.739 3.6488  9834.63    532.490  0.0000     0.0000   9834.63    532.490  ?       ?       134.739 3.6488  0.000000       3.648794  
1 1 1 -7  13  13 f 177.971 3.6047  17159.38   694.844  17505.60   1382.60  17042.38   803.715  179.661 7.1052  177.352 4.1840  2.308701       8.245579  
1 1 1 -7  13  14 o 317.792 5.9646  54761.39   2053.04  53957.55   5618.43  54885.27   2205.57  313.696 16.595  318.121 6.4011  -4.424927      17.78697  
1 1 1 -7  13  15 o 459.038 7.7520  114418.10  3854.17  122214.20  7707.36  111818.60  4450.61  472.679 15.055  453.573 9.0595  19.10611       17.57028  
1 1 1 -7  13  16 o 336.200 5.8232  61324.38   2120.48  58835.44   4237.52  62155.83   2449.18  328.350 11.915  338.374 6.6827  -10.02386      13.66137  
1 1 1 -7  13  17 o 47.814  3.4834  1245.62    179.157  1269.00    329.773  1235.83    213.395  47.906  6.5254  47.561  4.1851  0.3446274      7.752167  
1 1 1 -7  13  18 o 264.467 4.7875  37940.80   1371.37  37297.51   2738.99  38156.01   1584.25  261.548 9.6687  265.144 5.5166  -3.596130      11.13178  
1 1 1 -7  13  19 o 328.039 5.7031  58431.13   2026.32  57512.71   4050.57  58737.70   2340.20  324.123 11.538  328.755 6.5722  -4.632050      13.27864  
1 1 1 -7  13  20 o 287.424 5.4245  44859.21   1688.69  46268.49   3147.34  44289.49   2001.12  290.973 9.9867  285.431 6.4730  5.542450       11.90096  
1 1 1 -7  13  21 o 241.988 4.4891  31779.93   1176.59  33267.28   2350.28  31282.51   1359.17  246.842 8.7908  239.995 5.2288  6.846710       10.22834  
1 1 1 -7  13  22 o 188.195 4.0330  19219.12   822.073  18137.76   1553.62  19639.62   968.812  182.307 7.8681  190.173 4.7035  -7.866104      9.166800  
1 1 1 -7  13  23 o 36.305  5.1433  730.873    196.586  772.068    380.663  715.890    229.568  36.807  9.4882  35.754  6.1499  1.053646       11.30698  
1 1 1 -7  13  24 o 178.544 3.8464  17319.00   743.829  16940.77   1769.28  17400.20   819.797  174.971 9.3700  178.902 4.2308  -3.930573      10.28087  
1 1 1 -7  13  25 o 93.337  3.0905  4731.65    312.428  4840.58    612.924  4693.40    363.148  93.828  6.0636  92.910  3.6087  0.9182892      7.056239  
1 1 1 -7  13  26 o 34.726  1.8547  655.888    69.508   394.011    440.042  662.589    70.392   28.966  10.662  34.903  1.8688  -5.936960      10.82417  
1 1 1 -7  13  27 o 134.292 3.4067  9828.44    495.510  10358.66   1018.57  9664.06    567.145  136.370 6.9187  133.024 3.9364  3.345764       7.960150  
1 1 1 -7  13  28 o 91.934  3.4117  4613.57    339.719  4405.24    656.878  4689.64    396.923  88.516  6.9063  92.562  3.9592  -4.045967      7.960606  
1 1 1 -7  13  29 o 40.426  1.8443  887.547    80.752   1117.86    452.015  879.955    82.072   42.940  9.9188  40.250  1.8826  2.690247       10.09586  
1 1 1 -7  13  30 o 54.342  2.6319  1610.91    154.907  1531.01    179.206  1847.07    308.090  52.804  3.1477  57.448  5.0013  -4.644230      5.909415  
1 1 1 -7  13  31 o 21.508  7.6087  245.707    221.443  182.377    438.607  267.372    256.540  24.312  10.104  22.599  8.1673  1.712912       12.99183  
1 1 1 -7  13  32 o 19.604  7.4951  175.532    221.945  21.835     438.623  228.428    257.318  21.929  9.6213  21.515  8.1071  0.4136772      12.58151  
1 1 1 -7  13  33 o 38.799  1.7244  820.680    72.465   840.013    75.070   556.472    277.511  39.247  1.7660  29.319  8.3412  9.928354       8.526132  
1 1 1 -7  13  34 o 27.723  12.391  474.287    761.367  0.0000     0.0000   474.287    761.367  ?       ?       27.723  12.391  0.000000       12.39114  
1 1 1 -7  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  14  1  o 139.517 3.0837  10543.63   465.982  10092.78   519.354  12405.18   1055.32  136.497 3.5129  151.277 6.4408  -14.77957      7.336557  
1 1 1 -7  14  2  o 475.189 9.2711  122520.70  4771.66  118285.80  5843.19  130998.10  8267.22  466.655 11.561  490.496 15.562  -23.84122      19.38587  
1 1 1 -7  14  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  14  4  o 642.430 21.368  225409.91  14868.19 0.0000     0.0000   225409.91  14868.19 ?       ?       642.430 21.368  0.000000       21.36793  
1 1 1 -7  14  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  14  6  o 611.951 11.677  203227.09  7739.41  202893.91  9479.07  203893.59  13404.27 611.128 14.321  611.677 20.233  -0.5490112     24.78786  
1 1 1 -7  14  7  o 126.195 2.7864  8625.33    380.853  8734.81    538.949  8516.13    538.267  126.986 3.9185  125.386 3.9635  1.599968       5.573507  
1 1 1 -7  14  8  o 270.302 4.8301  39581.90   1414.08  39294.59   1999.92  39869.15   1999.71  269.269 6.8573  271.232 6.8070  -1.962891      9.662213  
1 1 1 -7  14  9  o 406.702 6.8745  89646.49   3028.20  90318.55   4283.12  88974.80   4281.93  408.066 9.6908  405.014 9.7611  3.051514       13.75467  
1 1 1 -7  14  10 o 612.479 11.680  203650.00  7748.38  201522.41  13419.61 204714.00  9490.13  607.754 20.386  613.706 14.277  -5.952393      24.88865  
1 1 1 -7  14  11 o 597.969 11.374  194141.70  7366.65  198976.00  9022.96  184477.59  12757.45 605.005 13.770  581.269 20.264  23.73621       24.49928  
1 1 1 -7  14  12 o 161.012 4.8525  14047.50   846.238  0.0000     0.0000   14047.50   846.238  ?       ?       161.012 4.8525  0.000000       4.852489  
1 1 1 -7  14  13 o 79.657  2.8854  3437.13    248.941  3243.41    479.266  3508.70    291.324  77.135  5.7786  80.479  3.3421  -3.343544      6.675463  
1 1 1 -7  14  14 o 355.407 6.1209  68498.74   2356.21  65288.78   4708.00  69571.41   2721.56  346.226 12.555  358.102 7.0168  -11.87665      14.38251  
1 1 1 -7  14  15 o 406.041 6.9277  89479.88   3046.70  91010.53   6091.48  88969.23   3518.39  408.189 13.778  404.730 8.0262  3.459106       15.94544  
1 1 1 -7  14  16 o 370.552 6.3630  74525.23   2553.76  73068.90   5103.32  75011.73   2949.63  365.659 12.886  371.625 7.3281  -5.966736      14.82368  
1 1 1 -7  14  17 o 177.393 3.6057  17055.79   692.782  18169.70   1380.71  16680.99   800.896  182.889 6.9702  175.407 4.2156  7.481766       8.145886  
1 1 1 -7  14  18 o 120.997 3.1396  7934.25    411.452  8892.32    839.075  7630.94    472.109  127.969 6.0537  118.646 3.6738  9.322990       7.081299  
1 1 1 -7  14  19 o 321.258 5.6199  56037.02   1955.49  56078.41   3906.71  56023.19   2258.82  320.126 11.267  321.079 6.4953  -0.9521484     13.00541  
1 1 1 -7  14  20 o 187.403 3.7640  19044.06   764.016  19636.07   1524.25  18845.42   882.941  189.940 7.4092  186.381 4.3738  3.558640       8.603858  
1 1 1 -7  14  21 o 174.422 3.6241  16498.86   684.654  18374.24   1365.11  15868.59   791.382  183.736 6.8597  171.011 4.2726  12.72427       8.081491  
1 1 1 -7  14  22 o 281.746 5.0721  43128.45   1547.80  44080.87   3092.77  42810.21   1787.79  283.493 10.072  280.548 5.8835  2.945282       11.66489  
1 1 1 -7  14  23 o 101.335 2.9105  5568.76    319.448  6078.67    578.636  5345.22    383.124  105.727 5.0530  99.247  3.5641  6.480736       6.183492  
1 1 1 -7  14  24 o 146.320 3.3463  11623.23   530.316  12793.66   1053.55  11226.04   613.737  153.016 6.3569  143.729 3.9425  9.286789       7.480222  
1 1 1 -7  14  25 o 43.464  4.3604  1039.26    202.503  1070.44    381.813  1027.05    238.868  43.275  8.4491  43.057  5.2294  0.2179527      9.936522  
1 1 1 -7  14  26 o 56.575  1.9410  1736.19    118.938  1920.73    179.850  1592.75    158.561  59.454  2.7930  54.146  2.7037  5.307838       3.887249  
1 1 1 -7  14  27 o 59.927  3.9521  1969.91    255.081  1512.23    508.815  2123.55    294.803  50.846  9.5909  62.136  4.4090  -11.29086      10.55583  
1 1 1 -7  14  28 o 99.419  3.2808  5392.78    353.281  4998.09    702.810  5526.23    408.664  94.281  6.9311  100.527 3.7533  -6.246117      7.882092  
1 1 1 -7  14  29 o 42.014  5.2112  991.617    232.047  1662.52    462.556  765.992    268.243  53.371  8.2692  36.290  7.0787  17.08132       10.88523  
1 1 1 -7  14  30 o 52.002  1.7919  1469.50    100.925  1504.54    148.531  1439.44    137.559  52.518  2.6112  51.389  2.4714  1.129391       3.595326  
1 1 1 -7  14  31 o 47.405  4.8472  1266.26    245.377  1356.98    485.777  1235.19    284.314  46.455  9.9541  46.442  5.7771  0.1298523E-01  11.50909  
1 1 1 -7  14  32 o 57.484  4.2647  1850.43    263.631  2307.38    531.883  1701.61    303.541  61.727  8.1552  54.682  5.1872  7.045338       9.665107  
1 1 1 -7  14  33 o 40.506  1.5470  893.386    67.868   924.607    70.048   415.161    274.149  41.204  1.5696  25.604  8.4831  15.59977       8.627095  
1 1 1 -7  14  34 o 32.071  13.247  928.563    747.495  0.0000     0.0000   928.563    747.495  ?       ?       32.071  13.247  0.000000       13.24748  
1 1 1 -7  14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  15  1  o 198.711 4.0700  21391.32   875.954  21552.36   1032.09  20976.54   1656.35  199.444 4.7778  196.682 7.7753  2.761948       9.125940  
1 1 1 -7  15  2  o 380.691 6.5797  78555.23   2712.97  77963.20   3132.04  80334.18   5429.21  379.195 7.6260  384.473 13.038  -5.277374      15.10421  
1 1 1 -7  15  3  o 530.722 17.761  153464.91  10209.43 0.0000     0.0000   153464.91  10209.43 ?       ?       530.722 17.761  0.000000       17.76089  
1 1 1 -7  15  4  o 718.682 23.852  282513.59  18566.24 0.0000     0.0000   282513.59  18566.24 ?       ?       718.682 23.852  0.000000       23.85158  
1 1 1 -7  15  5  o 268.391 4.8620  39024.81   1413.37  36738.43   1998.67  41311.80   1998.94  260.355 7.0877  276.097 6.6845  -15.74216      9.742572  
1 1 1 -7  15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  15  7  o 391.155 6.6904  82914.73   2834.48  82293.89   4008.47  83535.64   4008.66  389.553 9.5004  392.485 9.4299  -2.932037      13.38579  
1 1 1 -7  15  8  o 164.409 3.3781  14640.99   601.553  14207.11   850.713  15074.89   850.736  161.939 4.8502  166.813 4.7086  -4.874176      6.759858  
1 1 1 -7  15  9  o 669.697 11.052  243380.91  8016.69  245543.70  11337.87 241218.50  11336.76 671.989 15.578  666.020 15.716  5.968811       22.12782  
1 1 1 -7  15  10 o 440.142 8.5052  105050.30  4054.60  98654.10   7020.90  108250.90  4966.51  425.914 15.219  446.662 10.266  -20.74738      18.35822  
1 1 1 -7  15  11 o 395.028 8.5631  84634.14   3663.79  87651.24   4773.22  80307.38   5716.07  401.815 10.968  384.347 13.731  17.46832       17.57362  
1 1 1 -7  15  12 o 447.935 8.7036  108861.80  4222.63  110395.90  7315.86  108095.50  5170.92  450.259 15.001  446.144 10.701  4.114563       18.42698  
1 1 1 -7  15  13 o 165.731 3.6118  14880.62   648.337  14163.87   1517.53  15040.66   717.074  161.303 8.7185  166.613 3.9736  -5.310699      9.581338  
1 1 1 -7  15  14 o 172.681 3.5233  16155.82   658.973  16051.86   1305.80  16191.34   763.298  172.007 7.0091  172.857 4.0770  -0.8503723     8.108580  
1 1 1 -7  15  15 o 236.830 4.4000  30402.18   1128.64  30584.35   2252.34  30341.10   1304.19  237.222 8.7662  236.556 5.0902  0.6660309      10.13686  
1 1 1 -7  15  16 o 232.903 4.3486  29406.81   1096.96  29738.78   2192.16  29295.92   1267.00  233.851 8.6549  232.422 5.0330  1.428421       10.01193  
1 1 1 -7  15  17 f 86.206  2.9380  4026.73    274.317  4509.44    543.783  3861.97    317.705  90.994  5.5440  84.414  3.4749  6.579460       6.542961  
1 1 1 -7  15  18 o 122.427 3.0613  8122.59    405.937  8455.72    799.075  8006.72    471.279  124.794 5.9118  121.535 3.5802  3.259300       6.911412  
1 1 1 -7  15  19 o 79.536  3.0289  3428.46    260.931  3835.05    514.060  3287.35    302.845  83.848  5.6942  77.870  3.5907  5.977379       6.731817  
1 1 1 -7  15  20 o 79.291  3.0980  3407.81    266.060  4011.46    523.480  3197.57    308.937  85.753  5.6681  76.792  3.7144  8.961365       6.776726  
1 1 1 -7  15  21 o 40.440  1.9807  886.010    86.754   705.343    381.101  895.884    89.093   35.352  9.6726  40.664  2.0228  -5.312206      9.881855  
1 1 1 -7  15  22 o 115.401 3.1668  7221.33    395.824  8203.78    765.962  6863.37    462.344  122.819 5.7580  112.473 3.7953  10.34634       6.896277  
1 1 1 -7  15  23 o 100.784 3.1092  5509.59    339.398  5478.86    668.429  5520.26    393.961  100.078 6.1971  100.854 3.6065  -0.7763977     7.170169  
1 1 1 -7  15  24 o 109.753 3.1083  6537.79    369.499  8350.55    731.353  5916.49    428.164  123.757 5.4562  104.353 3.7882  19.40441       6.642319  
1 1 1 -7  15  25 o 121.965 3.1368  8081.18    414.368  7660.25    817.848  8226.55    480.623  117.988 6.4240  122.995 3.6079  -5.006752      7.367777  
1 1 1 -7  15  26 o 65.001  2.1837  2292.96    153.737  2192.58    240.459  2362.35    199.940  63.360  3.5178  65.933  2.7998  -2.572605      4.495953  
1 1 1 -7  15  27 o 133.321 3.3394  9685.42    482.215  9497.10    961.321  9748.74    557.416  130.586 6.8204  133.620 3.8516  -3.034622      7.832815  
1 1 1 -7  15  28 o 71.363  3.6304  2790.57    279.682  2830.88    557.673  2777.02    323.277  70.609  7.4021  71.044  4.2202  -0.4348602     8.520628  
1 1 1 -7  15  29 o 31.674  0.8386  543.626    28.770   554.734    28.975   -232.6833  242.222  31.996  0.8361  13.731  6.4412  18.26468       6.495265  
1 1 1 -7  15  30 o 52.156  4.4544  1514.82    249.215  1123.96    492.943  1649.02    288.848  42.230  10.750  54.255  4.9707  -12.02471      11.84320  
1 1 1 -7  15  31 f 33.752  6.6209  671.845    233.392  887.591    475.548  603.390    267.872  37.000  11.033  31.525  7.8697  5.475849       13.55241  
1 1 1 -7  15  32 o 20.426  1.0478  226.949    23.103   47.496     471.535  227.381    23.131   22.833  9.9978  20.446  1.0480  2.386868       10.05257  
1 1 1 -7  15  33 o 74.944  2.2020  3075.96    178.741  2847.67    320.414  3179.10    215.365  70.974  4.1867  76.016  2.6158  -5.041977      4.936651  
1 1 1 -7  15  34 o 33.572  13.519  1069.00    754.980  0.0000     0.0000   1069.00    754.980  ?       ?       33.572  13.519  0.000000       13.51870  
1 1 1 -7  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  16  1  o 344.175 5.7666  64192.55   2149.66  64362.46   2481.52  63681.68   4302.88  344.592 6.6488  342.458 11.601  2.134430       13.37090  
1 1 1 -7  16  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  16  3  o 670.416 22.275  245584.20  16174.84 245584.20  16174.84 0.0000     0.0000   670.416 22.275  ?       ?       0.000000       22.27541  
1 1 1 -7  16  4  o 401.675 6.5944  87438.45   2868.95  85418.99   4057.08  89458.37   4057.54  396.859 9.4386  406.148 9.2238  -9.288666      13.19716  
1 1 1 -7  16  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  16  6  o 419.812 7.0994  95516.65   3228.09  94564.20   4564.95  96469.32   4565.46  417.553 10.094  421.744 9.9946  -4.191376      14.20481  
1 1 1 -7  16  7  o 320.359 5.5944  55605.92   1941.17  54342.65   2745.03  56869.55   2745.42  316.620 8.0046  323.905 7.8257  -7.284637      11.19440  
1 1 1 -7  16  8  o 523.427 8.7386  148553.30  4954.15  144845.20  7006.17  152261.50  7006.28  516.521 12.523  529.612 12.214  -13.09052      17.49339  
1 1 1 -7  16  9  o 271.155 4.8435  39833.36   1422.49  40919.19   2012.78  38749.85   2010.63  274.774 6.7632  267.385 6.9426  7.388336       9.692297  
1 1 1 -7  16  10 o 246.715 5.2315  32980.02   1397.94  34282.78   2418.28  32326.19   1713.20  251.420 8.8805  244.224 6.4766  7.196426       10.99134  
1 1 1 -7  16  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  16  12 o 447.738 8.6775  108772.10  4208.11  103948.40  7290.16  111182.50  5153.33  436.802 15.409  452.470 10.515  -15.66833      18.65534  
1 1 1 -7  16  13 o 237.654 4.3319  30604.53   1115.06  30124.34   2223.16  30765.94   1288.91  235.573 8.7131  238.257 4.9947  -2.684464      10.04319  
1 1 1 -7  16  14 o 155.918 3.3353  13171.04   563.246  13550.35   1122.43  13043.38   651.168  158.051 6.5568  155.149 3.8750  2.901505       7.616253  
1 1 1 -7  16  15 o 74.765  2.9783  3028.43    241.180  3352.18    471.476  2913.69    280.684  78.420  5.5874  73.328  3.5341  5.091728       6.611266  
1 1 1 -7  16  16 o 165.188 3.5558  14787.93   636.196  13393.60   1485.80  15100.96   703.996  156.679 8.7910  166.915 3.8941  -10.23645      9.614831  
1 1 1 -7  16  17 o 124.337 3.0593  8377.39    411.998  8489.25    819.850  8339.59    476.540  125.053 6.0530  124.043 3.5470  1.009567       7.015675  
1 1 1 -7  16  18 o 406.439 6.9157  89780.70   3044.39  88608.55   6087.47  90171.63   3515.62  401.564 13.996  407.083 7.9735  -5.519592      16.10814  
1 1 1 -7  16  19 o 371.739 6.7975  75125.84   2736.89  73111.30   5075.51  75951.77   3249.86  364.923 12.841  373.492 8.0336  -8.568665      15.14719  
1 1 1 -7  16  20 o 164.038 3.6060  14589.93   640.674  14536.61   1482.09  14602.19   710.486  163.086 8.4193  164.084 3.9978  -0.9980927     9.320199  
1 1 1 -7  16  21 o 181.131 3.6885  17794.07   723.625  15632.21   1440.65  18523.55   836.853  169.326 7.8553  184.767 4.1817  -15.44150      8.899049  
1 1 1 -7  16  22 o 124.781 3.1788  8443.26    429.617  8250.76    850.363  8509.24    497.822  122.937 6.4085  125.240 3.6700  -2.302811      7.384961  
1 1 1 -7  16  23 o 57.983  3.6209  1831.81    226.260  2518.82    442.289  1588.29    263.324  67.718  6.0955  53.871  4.5557  13.84686       7.609860  
1 1 1 -7  16  24 o 35.770  1.1759  693.127    45.559   648.876    65.320   735.045    63.575   34.558  1.7508  36.831  1.5937  -2.272533      2.367566  
1 1 1 -7  16  25 o 127.316 3.1664  8807.03    436.638  8200.88    863.077  9015.54    506.195  122.033 6.5538  128.748 3.6300  -6.714943      7.491991  
1 1 1 -7  16  26 o 91.686  3.1805  4573.12    315.838  4850.38    648.582  4486.93    361.611  93.561  6.4395  90.748  3.6790  2.813217       7.416350  
1 1 1 -7  16  27 o 62.077  3.8628  2112.28    258.433  2466.86    517.096  1994.23    298.368  66.131  7.3433  60.154  4.6146  5.976574       8.672893  
1 1 1 -7  16  28 o 72.107  2.7393  2830.84    213.936  2233.30    550.691  2937.05    232.173  62.205  8.3874  73.421  2.9196  -11.21626      8.881052  
1 1 1 -7  16  29 o 46.457  2.0269  1172.91    101.989  1214.71    110.179  922.690    269.573  47.266  2.1522  40.125  6.4192  7.141071       6.770346  
1 1 1 -7  16  30 o 82.109  3.4903  3699.61    310.403  3530.95    624.268  3755.00    357.764  78.114  7.4696  82.552  4.0013  -4.437607      8.473818  
1 1 1 -7  16  31 o 89.099  3.4584  4367.96    333.751  3876.10    677.786  4525.40    383.462  81.073  7.8156  90.492  3.9124  -9.419205      8.740147  
1 1 1 -7  16  32 f 4.5655  2.2184  -60.0697   34.659   289.384    468.281  -61.9946   34.754   25.851  10.559  4.5329  2.2068  21.31785       10.78763  
1 1 1 -7  16  33 o 22.870  1.7026  286.744    41.873   287.067    42.399   273.955    266.797  22.880  1.7236  22.112  8.2701  0.7674675      8.447833  
1 1 1 -7  16  34 o 29.431  12.691  681.541    735.834  0.0000     0.0000   681.541    735.834  ?       ?       29.431  12.691  0.000000       12.69059  
1 1 1 -7  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  17  1  o 167.378 3.4388  15175.15   623.420  15337.23   718.910  14683.69   1251.83  168.264 3.9447  164.589 7.0222  3.675140       8.054343  
1 1 1 -7  17  2  o 190.798 3.3612  19718.54   694.611  19146.53   896.365  20578.35   1098.96  187.996 4.4022  194.886 5.2064  -6.889221      6.817993  
1 1 1 -7  17  3  o 284.748 4.9531  43927.99   1527.59  42349.82   2159.98  45507.20   2160.69  279.524 7.1344  289.765 6.8846  -10.24124      9.914509  
1 1 1 -7  17  4  o 282.609 5.8237  43275.95   1782.61  42927.58   2183.71  43971.80   3086.27  281.431 7.1640  284.723 10.008  -3.292053      12.30771  
1 1 1 -7  17  5  o 627.593 14.694  213996.00  9988.45  214732.00  14125.84 213260.20  14125.78 627.656 20.779  625.487 20.851  2.168701       29.43672  
1 1 1 -7  17  6  o 592.372 9.8113  190306.00  6294.94  184923.09  8902.04  195689.70  8902.73  583.490 14.086  600.284 13.693  -16.79443      19.64460  
1 1 1 -7  17  7  o 406.868 6.9483  89716.05   3061.99  88292.72   4330.30  91139.41   4330.33  403.473 9.9091  409.936 9.7529  -6.462372      13.90356  
1 1 1 -7  17  8  o 278.128 4.9669  41908.57   1496.23  41421.14   2116.35  42395.68   2115.62  276.449 7.0681  279.685 6.9839  -3.235809      9.936426  
1 1 1 -7  17  9  o 437.797 8.5551  103928.00  4056.66  101391.70  7024.15  105197.30  4969.15  431.856 15.017  440.328 10.419  -8.471954      18.27765  
1 1 1 -7  17  10 o 730.224 17.026  290351.81  13466.02 279809.50  19043.40 300895.19  19044.25 714.731 24.600  741.469 23.714  -26.73749      34.16860  
1 1 1 -7  17  11 o 522.125 8.5933  147869.59  4859.66  150929.80  6873.20  144810.50  6872.00  527.099 12.039  516.269 12.290  10.82977       17.20394  
1 1 1 -7  17  12 f 595.325 14.015  192923.30  9036.58  189029.41  12780.14 196816.59  12779.17 587.700 20.078  599.809 19.671  -12.10931      28.10770  
1 1 1 -7  17  13 o 693.282 11.375  261373.59  8541.17  277435.41  17082.96 256020.20  9862.37  710.142 22.210  685.630 13.281  24.51251       25.87778  
1 1 1 -7  17  14 o 206.526 3.9651  23113.26   886.961  21918.88   1773.49  23511.64   1024.26  200.918 8.1497  208.278 4.5404  -7.360519      9.329111  
1 1 1 -7  17  15 o 146.430 3.4170  11618.39   541.938  12742.47   1223.45  11343.99   604.475  153.190 7.3737  144.679 3.8575  8.511124       8.321778  
1 1 1 -7  17  16 o 463.894 9.1838  117103.30  4614.37  116605.90  11927.71 117190.90  5003.99  455.839 24.246  463.872 9.9597  -8.032684      26.21192  
1 1 1 -7  17  17 o 424.055 7.7533  97773.59   3561.04  101125.70  6597.18  96395.32   4230.25  429.255 14.190  420.691 9.2839  8.563354       16.95698  
1 1 1 -7  17  18 o 95.583  2.7773  4950.63    287.520  5279.88    601.730  4853.21    327.302  98.457  5.6666  94.629  3.1934  3.828011       6.504436  
1 1 1 -7  17  19 o 226.196 4.2532  27750.59   1042.01  27844.36   2080.99  27719.21   1203.79  226.063 8.4990  226.010 4.9176  0.5281067E-01  9.819182  
1 1 1 -7  17  20 o 132.778 3.1930  9556.72    459.199  8613.26    911.535  9877.57    531.579  125.669 6.7213  134.969 3.6363  -9.299973      7.641882  
1 1 1 -7  17  21 o 169.327 3.5766  15549.42   655.940  15904.34   1299.29  15428.02   759.883  170.901 7.0193  168.622 4.1607  2.278778       8.159723  
1 1 1 -7  17  22 o 116.060 3.1399  7304.32    394.702  7058.62    749.456  7398.63    464.310  113.721 6.1070  116.779 3.6709  -3.057358      7.125360  
1 1 1 -7  17  23 o ?       ?       -511.4205  22.485   -521.6660  22.614   383.174    211.310  ?       ?       26.094  7.2282  0.000000       7.228232  
1 1 1 -7  17  24 o 120.139 3.1225  7834.81    406.316  7933.28    803.340  7800.97    471.004  120.326 6.1850  119.830 3.6290  0.4957962      7.171057  
1 1 1 -7  17  25 o 82.807  3.0982  3725.39    277.875  3662.07    544.344  3747.71    323.151  81.477  6.2153  83.008  3.5943  -1.531616      7.179726  
1 1 1 -7  17  26 o 100.462 3.0518  5488.94    332.072  5580.22    707.423  5463.15    376.080  100.331 6.5458  100.164 3.4666  0.1666565      7.407029  
1 1 1 -7  17  27 o 94.888  3.3606  4907.22    345.379  5423.90    677.291  4725.65    401.506  98.757  6.3658  92.995  3.9862  5.761780       7.510920  
1 1 1 -7  17  28 o 85.098  2.6284  3941.25    242.256  3622.77    408.899  4113.50    300.715  81.024  4.6794  86.834  3.1974  -5.810257      5.667424  
1 1 1 -7  17  29 o 55.179  4.2438  1684.23    251.685  1482.24    511.675  1748.71    289.074  49.539  9.8828  56.067  4.8067  -6.528721      10.98970  
1 1 1 -7  17  30 o 45.334  5.0563  1157.11    244.045  1425.78    508.997  1076.92    278.094  47.981  10.113  43.348  6.0913  4.633381       11.80588  
1 1 1 -7  17  31 o 69.563  2.7701  2647.65    208.713  2758.06    581.330  2631.31    223.622  68.125  8.0330  69.293  2.9796  -1.168045      8.567801  
1 1 1 -7  17  32 o 23.744  7.7162  333.818    227.224  853.526    476.192  180.598    258.559  35.602  11.126  20.432  8.0139  15.17055       13.71133  
1 1 1 -7  17  33 o 57.404  2.3863  1809.14    148.368  1921.69    170.067  1450.55    303.547  59.066  2.6584  49.547  5.7641  9.518688       6.347587  
1 1 1 -7  17  34 f 24.363  11.296  95.412     710.801  0.0000     0.0000   95.412     710.801  ?       ?       24.363  11.296  0.000000       11.29646  
1 1 1 -7  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  18  1  o 460.477 7.5673  114943.20  3774.15  106847.60  4356.98  139276.09  7553.67  443.870 9.0627  506.304 13.775  -62.43399      16.48849  
1 1 1 -7  18  2  o 560.082 10.618  170201.09  6441.34  193454.30  11159.56 158583.30  7888.00  596.192 17.282  540.318 13.479  55.87439       21.91660  
1 1 1 -7  18  3  o 298.276 5.3221  48202.85   1719.36  46655.95   2431.26  49750.47   2431.83  293.380 7.6512  302.962 7.4110  -9.581970      10.65195  
1 1 1 -7  18  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  18  5  o 597.867 9.9467  193861.09  6441.04  185373.80  9108.68  202349.59  9109.32  584.162 14.396  610.403 13.778  -26.24091      19.92735  
1 1 1 -7  18  6  o 173.912 3.4536  16382.34   650.532  16670.77   918.748  16092.35   921.240  175.421 4.8355  172.350 4.9351  3.071396       6.909213  
1 1 1 -7  18  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  18  8  o 349.578 5.9705  66218.79   2260.61  64394.68   3197.10  68042.63   3196.86  344.623 8.5653  354.261 8.3316  -9.638367      11.94907  
1 1 1 -7  18  9  o 728.612 13.695  288442.81  10807.42 263642.19  18717.33 300846.50  13236.93 693.965 24.902  743.577 16.436  -49.61127      29.83707  
1 1 1 -7  18  10 f 466.076 9.0223  117824.40  4554.55  117647.80  5578.56  118177.30  7887.61  465.543 11.063  466.044 15.626  -0.5008545     19.14610  
1 1 1 -7  18  11 o 470.391 7.8873  119993.90  4018.44  120259.20  5684.11  119728.80  5681.77  470.586 11.152  469.545 11.172  1.041260       15.78556  
1 1 1 -7  18  12 o 533.649 12.624  154895.00  7296.77  153918.80  10321.59 155870.30  10316.80 530.791 17.954  534.177 17.832  -3.385925      25.30412  
1 1 1 -7  18  13 o 519.318 9.4506  146484.00  5315.71  144970.80  8249.93  147558.20  6950.97  515.531 14.775  520.680 12.325  -5.149292      19.24101  
1 1 1 -7  18  14 o 131.107 3.1400  9312.58    445.883  9083.03    951.462  9377.18    504.738  129.205 6.8231  131.554 3.5423  -2.348984      7.687875  
1 1 1 -7  18  15 o 272.625 5.2240  40305.70   1542.56  39847.96   4129.40  40379.93   1662.95  269.537 14.195  272.846 5.6272  -3.309540      15.26959  
1 1 1 -7  18  16 o 270.411 5.1291  39660.07   1502.24  37090.67   4004.69  40080.83   1620.58  259.787 14.287  271.810 5.5047  -12.02289      15.31116  
1 1 1 -7  18  17 o 62.449  2.2316  2112.69    150.943  2383.65    197.836  1735.23    233.502  66.327  2.7539  56.447  3.8421  9.880070       4.727156  
1 1 1 -7  18  18 o 237.869 4.6717  30693.11   1203.60  28955.23   3133.39  30993.91   1303.60  229.491 12.655  239.000 5.0359  -9.508270      13.62011  
1 1 1 -7  18  19 o 279.789 5.0168  42484.55   1520.30  44453.95   3040.18  41827.84   1755.58  285.333 9.8373  277.513 5.8407  7.820862       11.44058  
1 1 1 -7  18  20 o 246.731 4.5481  33032.93   1215.41  33816.04   2429.29  32771.45   1403.73  248.920 9.0105  245.669 5.2755  3.251343       10.44128  
1 1 1 -7  18  21 o 212.603 4.1034  24525.07   944.899  24224.14   1885.67  24625.96   1091.88  210.681 8.2636  212.973 4.7335  -2.291870      9.523268  
1 1 1 -7  18  22 o 148.979 3.3600  12038.12   542.173  11508.60   1077.53  12217.63   627.376  145.312 6.8463  150.048 3.8604  -4.735916      7.859682  
1 1 1 -7  18  23 o 188.396 3.9803  19275.29   812.198  19013.33   1535.72  19377.02   956.987  186.420 7.6059  188.791 4.6801  -2.371140      8.930459  
1 1 1 -7  18  24 o 127.037 3.1736  8761.65    436.666  8850.07    864.743  8731.39    505.904  127.217 6.2758  126.763 3.6847  0.4538956      7.277602  
1 1 1 -7  18  25 o 93.380  3.0816  4737.75    311.676  4725.56    601.340  4742.23    364.450  92.644  6.0256  93.368  3.6039  -0.7237396     7.021086  
1 1 1 -7  18  26 o 120.421 3.2240  7891.10    420.501  7707.00    847.326  7951.26    484.353  117.910 6.6621  120.787 3.7023  -2.877411      7.621743  
1 1 1 -7  18  27 o 162.393 3.6688  14392.00   645.297  13557.82   1463.13  14593.45   719.003  154.623 8.7726  163.383 4.0631  -8.759552      9.667872  
1 1 1 -7  18  28 o 95.635  2.8424  4982.23    294.428  5058.35    512.252  4944.68    359.799  95.670  4.9605  95.132  3.4919  0.5381470      6.066330  
1 1 1 -7  18  29 o 53.628  4.3439  1593.44    250.145  2015.79    518.616  1465.39    285.557  58.718  8.3934  51.153  5.2275  7.565311       9.888234  
1 1 1 -7  18  30 o 88.997  3.4184  4345.04    329.515  4190.83    670.281  4394.18    378.398  85.202  7.3348  89.323  3.9113  -4.120316      8.312503  
1 1 1 -7  18  31 o 37.592  6.0032  819.280    236.202  1792.06    493.025  529.489    269.094  54.362  8.6643  29.470  8.1545  24.89165       11.89819  
1 1 1 -7  18  32 o 45.362  5.1268  1176.53    247.470  1262.57    512.393  1150.35    282.617  43.346  10.919  44.413  6.0311  -1.067245      12.47426  
1 1 1 -7  18  33 o 36.049  2.1906  714.666    85.125   696.166    89.388   894.863    278.979  35.540  2.3351  37.961  7.0446  -2.420433      7.421567  
1 1 1 -7  18  34 o 22.017  10.510  -249.7622  700.507  0.0000     0.0000   -249.7622  700.507  ?       ?       22.017  10.510  0.000000       10.51037  
1 1 1 -7  18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  19  1  o 561.890 13.053  171447.50  7944.05  167871.09  11230.97 175028.59  11238.19 555.205 18.676  566.981 18.300  -11.77563      26.14784  
1 1 1 -7  19  2  o 459.770 15.488  114913.00  7712.75  114913.00  7712.75  0.0000     0.0000   459.770 15.488  ?       ?       0.000000       15.48810  
1 1 1 -7  19  3  o 489.490 8.8016  129911.00  4666.33  128078.60  6105.14  132485.59  7236.56  485.813 11.603  493.917 13.527  -8.104004      17.82152  
1 1 1 -7  19  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  19  5  o 337.139 5.8652  61585.46   2141.73  62088.23   3028.60  61082.51   3029.13  338.427 8.2624  335.672 8.3317  2.754974       11.73389  
1 1 1 -7  19  6  o 229.641 4.2344  28566.36   1053.20  28143.53   1488.79  28989.94   1490.10  227.903 6.0313  231.306 5.9478  -3.403442      8.470742  
1 1 1 -7  19  7  o 167.408 3.4057  15180.05   617.520  14639.97   872.177  15722.94   874.436  164.387 4.8985  170.361 4.7390  -5.973770      6.815714  
1 1 1 -7  19  8  o 516.192 8.6345  144477.70  4827.44  143057.50  6827.07  145897.80  6827.00  513.325 12.279  518.408 12.159  -5.083496      17.28048  
1 1 1 -7  19  9  o 480.807 9.3167  125388.00  4851.80  122672.80  8401.88  126746.30  5942.81  474.810 16.338  483.223 11.355  -8.412994      19.89583  
1 1 1 -7  19  10 o 258.696 5.4331  36263.79   1522.32  34450.90   1864.68  39886.90   2636.08  252.104 6.8289  271.175 8.9751  -19.07088      11.27771  
1 1 1 -7  19  11 o 321.268 5.9639  55941.28   2075.25  55671.26   3196.29  56138.06   2728.57  320.310 9.2131  321.737 7.8300  -1.427551      12.09095  
1 1 1 -7  19  12 o 226.619 6.0306  27840.62   1480.23  26139.41   2096.24  29532.51   2090.49  219.458 8.8190  233.297 8.2731  -13.83990      12.09210  
1 1 1 -7  19  13 o 339.608 5.9244  62534.14   2179.19  61630.09   3083.50  63436.25   3080.19  336.935 8.4494  341.849 8.3190  -4.914307      11.85744  
1 1 1 -7  19  14 o 131.280 3.0251  9336.98    430.145  9831.65    865.894  9174.92    495.624  134.639 5.9378  130.127 3.5165  4.511688       6.900962  
1 1 1 -7  19  15 o 106.083 2.8067  6096.88    322.491  6769.46    620.734  5848.22    377.424  111.728 5.1295  103.888 3.3542  7.840164       6.128803  
1 1 1 -7  19  16 o 70.979  2.4706  2729.30    189.930  2673.04    278.329  2778.33    259.829  70.132  3.6770  71.602  3.3503  -1.470703      4.974415  
1 1 1 -7  19  17 o 264.072 5.1086  37832.43   1461.15  37753.74   3887.89  37845.37   1576.74  261.991 13.749  264.079 5.5126  -2.087616      14.81312  
1 1 1 -7  19  18 o 225.891 4.2290  27671.66   1034.68  28993.77   2068.95  27230.72   1194.82  230.775 8.2774  224.029 4.9241  6.745865       9.631287  
1 1 1 -7  19  19 o 343.196 5.9400  63979.32   2207.99  64517.40   4415.21  63799.87   2549.71  343.083 11.882  342.539 6.8724  0.5437927      13.72617  
1 1 1 -7  19  20 o 272.056 4.8930  40175.73   1441.80  40309.46   2882.53  40131.11   1665.05  271.563 9.8002  271.799 5.6560  -0.2360229     11.31518  
1 1 1 -7  19  21 o 86.533  3.1172  4059.61    292.159  3807.16    567.296  4150.73    340.833  83.418  6.3259  87.482  3.5971  -4.064400      7.277129  
1 1 1 -7  19  22 o 73.910  2.7034  2961.34    216.413  3767.16    510.497  2784.80    238.947  83.021  5.7120  71.662  3.0785  11.35857       6.488770  
1 1 1 -7  19  23 o 73.331  2.6548  2915.90    210.859  3036.17    297.853  2795.07    298.548  74.784  3.6773  71.641  3.8618  3.143036       5.332507  
1 1 1 -7  19  24 o 78.688  2.7543  3359.69    234.741  3433.46    345.905  3296.71    319.601  79.358  4.0377  77.880  3.7889  1.477882       5.537018  
1 1 1 -7  19  25 f 105.973 2.9698  6100.81    340.866  6120.19    625.308  6092.62    406.586  105.605 5.4858  105.831 3.5471  -0.2258301     6.532655  
1 1 1 -7  19  26 o 99.530  2.8802  5385.75    310.489  4991.60    560.909  5559.88    372.817  95.187  5.4635  101.047 3.4064  -5.860619      6.438436  
1 1 1 -7  19  27 f 123.367 3.2674  8293.59    436.587  9268.43    881.172  7976.43    502.616  129.335 6.2904  120.842 3.8401  8.492271       7.369889  
1 1 1 -7  19  28 o 77.441  3.5737  3278.25    299.752  3075.83    596.002  3346.78    346.805  73.478  7.5987  78.023  4.1185  -4.544456      8.642998  
1 1 1 -7  19  29 o 22.837  7.6626  284.548    223.548  1332.82    459.631  -40.2501   255.846  47.117  9.3367  16.765  7.3521  30.35179       11.88388  
1 1 1 -7  19  30 f 75.920  2.8571  3150.00    234.935  3906.14    605.040  3015.76    254.939  82.560  6.8274  74.206  3.1719  8.353661       7.528290  
1 1 1 -7  19  31 o 30.109  7.1185  543.660    228.487  629.114    477.330  518.259    260.239  31.936  11.182  29.185  7.9962  2.751299       13.74662  
1 1 1 -7  19  32 o 25.497  7.6770  396.203    229.412  723.112    478.170  298.455    261.470  32.976  11.206  23.103  8.2577  9.873173       13.92005  
1 1 1 -7  19  33 o 52.454  2.3722  1511.35    134.772  1543.37    151.180  1387.42    297.455  52.918  2.6377  48.337  5.7973  4.581367       6.369131  
1 1 1 -7  19  34 o 26.512  11.904  379.378    711.331  0.0000     0.0000   379.378    711.331  ?       ?       26.512  11.904  0.000000       11.90442  
1 1 1 -7  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  20  1  o 226.063 4.2330  27683.36   1036.45  27232.31   1465.60  28134.61   1465.91  224.182 6.0359  227.867 5.9396  -3.685669      8.468249  
1 1 1 -7  20  2  o 807.516 26.742  356977.00  23389.35 0.0000     0.0000   356977.00  23389.35 ?       ?       807.516 26.742  0.000000       26.74219  
1 1 1 -7  20  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  20  4  o 501.766 9.0714  136512.09  4930.01  133596.70  6448.69  140612.50  7647.86  496.154 12.000  508.832 13.877  -12.67868      18.34594  
1 1 1 -7  20  5  o 529.609 8.7956  152072.80  5045.34  145556.41  7134.72  158590.91  7135.65  517.813 12.721  540.554 12.188  -22.74127      17.61746  
1 1 1 -7  20  6  o 565.536 9.4198  173440.70  5769.94  169537.91  8159.58  177344.20  8160.28  558.740 13.483  571.494 13.183  -12.75366      18.85713  
1 1 1 -7  20  7  o 746.398 12.219  302424.69  9878.08  286522.09  13969.18 318329.81  13970.24 725.545 17.776  764.951 16.862  -39.40558      24.50112  
1 1 1 -7  20  8  o 511.246 8.5546  141721.30  4736.98  137565.59  6698.99  145877.20  6699.20  503.365 12.287  518.385 11.932  -15.02097      17.12722  
1 1 1 -7  20  9  o 131.845 3.4877  9415.99    498.048  9143.46    854.204  9556.36    613.033  129.894 6.0716  132.817 4.2615  -2.923203      7.417841  
1 1 1 -7  20  10 o 218.997 4.7133  25984.34   1117.97  26465.54   1369.92  25024.84   1934.43  220.992 5.7234  214.813 8.3142  6.178604       10.09373  
1 1 1 -7  20  11 o 255.526 4.6118  35378.00   1276.37  36546.34   1808.30  34218.00   1801.83  259.648 6.4300  251.234 6.6216  8.414658       9.229930  
1 1 1 -7  20  12 o 551.744 13.043  165681.80  7794.68  163986.00  11025.56 167376.20  11021.12 547.513 18.592  553.203 18.394  -5.689514      26.15358  
1 1 1 -7  20  13 o 423.022 7.1365  97084.61   3269.76  95074.03   4624.88  99093.91   4623.41  418.225 10.210  427.008 9.9967  -8.782562      14.28900  
1 1 1 -7  20  14 o 46.643  3.3826  1184.96    169.722  1453.16    341.508  1096.99    195.585  51.377  6.2669  44.806  4.0747  6.571018       7.475131  
1 1 1 -7  20  15 o 264.154 4.6959  37831.82   1343.52  39395.81   2684.85  37309.36   1551.79  269.116 9.2111  262.270 5.4628  6.845947       10.70915  
1 1 1 -7  20  16 f 310.677 5.8214  52377.09   1958.86  53411.49   5343.57  52216.50   2105.43  311.306 15.901  310.150 6.2675  1.155640       17.09167  
1 1 1 -7  20  17 o 302.083 5.3388  49517.06   1746.79  49742.99   3492.87  49441.71   2017.15  301.875 10.683  301.753 6.1719  0.1221619      12.33750  
1 1 1 -7  20  18 o 227.171 4.2431  27987.02   1044.01  28571.44   2083.72  27791.14   1206.34  229.063 8.3987  226.320 4.9213  2.742538       9.734364  
1 1 1 -7  20  19 o 327.826 6.1049  58388.76   2167.65  65921.10   4032.17  55327.04   2570.73  347.165 10.723  318.865 7.4435  28.30017       13.05361  
1 1 1 -7  20  20 o 161.152 3.4497  14080.58   602.127  15522.97   1203.63  13599.12   695.396  168.945 6.5778  158.338 4.0549  10.60732       7.727160  
1 1 1 -7  20  21 f 182.204 3.9028  18010.25   770.196  17171.71   1466.11  18329.87   905.158  177.471 7.6273  183.755 4.5479  -6.284180      8.880273  
1 1 1 -7  20  22 f 83.638  3.0866  3793.51    279.613  3872.87    556.544  3766.72    323.391  84.118  6.1512  83.323  3.5834  0.7950897      7.118887  
1 1 1 -7  20  23 o 71.700  3.2119  2789.45    249.428  1894.09    489.965  3102.65    289.789  58.272  7.9721  75.602  3.5390  -17.33004      8.722325  
1 1 1 -7  20  24 f 34.200  5.1422  651.714    184.581  705.434    356.180  631.991    215.822  35.071  9.2455  33.477  6.1798  1.593681       11.12063  
1 1 1 -7  20  25 o 91.210  3.0481  4520.63    301.124  5112.44    591.380  4313.48    349.878  96.432  5.6873  89.033  3.6282  7.398178       6.746041  
1 1 1 -7  20  26 o 38.671  1.8810  811.263    78.788   755.976    452.630  812.990    80.009   36.044  10.768  38.712  1.9082  -2.667549      10.93564  
1 1 1 -7  20  27 o 71.349  3.5481  2777.55    274.192  4078.73    576.431  2397.05    311.716  85.577  6.2625  66.012  4.3847  19.56454       7.644888  
1 1 1 -7  20  28 o 35.361  6.0068  712.951    221.827  1189.40    471.882  577.797    251.328  44.455  10.038  31.417  7.4914  13.03760       12.52521  
1 1 1 -7  20  29 o 27.768  7.3912  453.798    226.218  438.219    460.598  458.750    259.698  29.225  10.879  27.924  8.1077  1.300674       13.56781  
1 1 1 -7  20  30 o 36.245  6.3055  761.939    238.546  1026.85    484.667  677.251    274.036  40.194  10.871  33.651  7.6870  6.542572       13.31422  
1 1 1 -7  20  31 o 21.828  7.6191  259.204    221.539  301.617    464.964  246.747    251.980  26.373  10.613  21.987  8.0716  4.386841       13.33359  
1 1 1 -7  20  32 o 42.065  5.5017  1023.10    244.654  1620.56    507.948  842.628    279.171  50.204  9.6924  37.312  7.1685  12.89205       12.05532  
1 1 1 -7  20  33 o 29.137  0.9393  460.811    29.642   528.172    52.333   428.989    35.969   31.132  1.5520  28.094  1.1821  3.038191       1.950890  
1 1 1 -7  20  34 o 26.575  11.917  394.073    710.451  0.0000     0.0000   394.073    710.451  ?       ?       26.575  11.917  0.000000       11.91714  
1 1 1 -7  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  21  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  21  2  o 239.536 4.5909  31082.71   1191.09  30664.50   1684.24  31501.14   1684.67  237.881 6.5369  241.107 6.4511  -3.225327      9.184125  
1 1 1 -7  21  3  o 454.629 8.5863  112053.50  4227.99  112574.40  5178.89  111012.50  7321.16  455.562 10.496  452.014 14.954  3.548401       18.26982  
1 1 1 -7  21  4  o 347.299 6.4171  65359.86   2413.87  65099.64   3723.03  65548.59   3170.58  346.461 9.9214  347.724 8.4185  -1.263153      13.01171  
1 1 1 -7  21  5  o 480.294 9.2751  125087.60  4824.98  124594.00  5909.76  126074.50  8356.03  479.189 11.387  481.569 16.020  -2.380859      19.65462  
1 1 1 -7  21  6  o 193.906 3.6769  20366.37   772.213  20076.67   1091.55  20656.63   1092.60  192.501 5.2353  195.263 5.1662  -2.761734      7.355122  
1 1 1 -7  21  7  o 422.196 7.0746  96609.65   3235.11  96853.97   4575.17  96365.34   4575.10  422.558 9.9965  421.489 10.022  1.069000       14.15509  
1 1 1 -7  21  8  o 504.804 9.6753  138224.50  5290.03  134021.70  9161.17  140326.80  6479.45  496.231 17.045  508.432 11.766  -12.20151      20.71170  
1 1 1 -7  21  9  o 319.936 7.8847  55497.27   2732.25  55877.84   3863.47  55116.49   3864.51  320.847 11.118  318.648 11.197  2.198608       15.77906  
1 1 1 -7  21  10 o 98.438  3.2307  5248.85    344.456  5159.32    424.455  5421.53    589.503  97.589  4.0157  99.875  5.4704  -2.285118      6.786043  
1 1 1 -7  21  11 o 337.465 5.8359  61726.43   2133.07  63079.78   3017.92  60375.42   3015.31  341.004 8.1710  333.602 8.3451  7.401917       11.67934  
1 1 1 -7  21  12 o 272.237 5.6444  40174.97   1664.31  38311.61   2038.58  43899.13   2882.00  265.775 7.0818  284.335 9.3582  -18.55994      11.73578  
1 1 1 -7  21  13 o 158.194 3.3632  13558.14   576.258  13478.37   818.359  13636.60   811.587  157.694 4.7914  158.619 4.7240  -0.9247742     6.728545  
1 1 1 -7  21  14 o 198.585 4.4984  21376.07   967.556  22164.63   1672.47  20979.40   1186.21  202.040 7.6428  196.686 5.5683  5.354797       9.456066  
1 1 1 -7  21  15 o 276.341 4.9534  41409.67   1482.58  42439.28   2964.99  41066.41   1711.97  279.221 9.8040  275.131 5.7449  4.089813       11.36326  
1 1 1 -7  21  16 o 254.304 4.9596  35075.14   1366.06  35722.51   3612.70  34967.14   1475.62  255.165 13.116  253.879 5.3663  1.286102       14.17162  
1 1 1 -7  21  17 o 181.645 3.6784  17885.46   723.685  18860.41   1446.92  17560.21   835.726  186.282 7.1714  179.955 4.2878  6.326843       8.355465  
1 1 1 -7  21  18 o 227.850 4.2697  28155.56   1053.70  28990.12   2106.88  27877.19   1216.81  230.723 8.4310  226.665 4.9564  4.057907       9.779993  
1 1 1 -7  21  19 o 406.389 6.9262  89814.57   3048.65  94992.41   6097.21  88088.56   3520.29  415.488 13.549  402.161 8.0818  13.32712       15.77614  
1 1 1 -7  21  20 o 178.831 4.5094  17354.35   873.437  17155.66   1778.01  17417.55   1002.77  176.981 9.3082  179.099 5.1694  -2.118240      10.64733  
1 1 1 -7  21  21 o 18.027  6.3063  156.294    151.809  109.333    245.383  185.413    193.226  19.556  7.7633  19.943  7.1019  -0.3876781     10.52167  
1 1 1 -7  21  22 o 111.885 3.0762  6788.59    372.778  7418.03    743.614  6577.31    430.823  116.593 5.9078  110.101 3.6127  6.492348       6.924865  
1 1 1 -7  21  23 f 132.226 3.1830  9486.97    455.853  9211.57    907.565  9579.90    527.179  129.899 6.4506  132.830 3.6643  -2.931458      7.418750  
1 1 1 -7  21  24 o 22.583  6.5519  285.075    169.651  672.661    331.466  147.504    197.478  34.246  8.8667  18.957  7.1102  15.28838       11.36543  
1 1 1 -7  21  25 o 170.449 3.5849  15809.41   661.819  15112.98   1309.16  16048.49   767.052  165.408 7.3074  171.600 4.1270  -6.191940      8.392324  
1 1 1 -7  21  26 o 92.060  2.9736  4609.62    296.497  5568.16    669.870  4376.07    330.650  100.275 6.1981  89.637  3.4057  10.63840       7.072197  
1 1 1 -7  21  27 o 129.399 3.3455  9129.38    468.885  10055.97   939.474  8822.01    541.094  134.582 6.4451  127.039 3.9325  7.543503       7.550048  
1 1 1 -7  21  28 o 66.315  3.6962  2413.22    264.428  1913.33    552.353  2561.85    301.184  57.044  9.2574  68.233  4.0943  -11.18962      10.12235  
1 1 1 -7  21  29 o 58.863  4.0372  1913.37    255.835  1690.62    529.085  1981.34    292.276  53.039  9.5618  59.751  4.5505  -6.712185      10.58938  
1 1 1 -7  21  30 o 51.714  2.4041  1457.92    134.659  1797.65    513.271  1432.81    139.548  54.616  8.9896  51.251  2.5139  3.364265       9.334529  
1 1 1 -7  21  31 o 55.295  2.5406  1670.53    152.156  1161.87    525.884  1717.01    158.955  41.971  11.312  56.043  2.6187  -14.07206      11.61121  
1 1 1 -7  21  32 o 34.676  1.1989  652.841    45.027   -113.6839  473.705  659.830    45.232   20.974  9.5363  34.861  1.1980  -13.88710      9.611298  
1 1 1 -7  21  33 o 36.272  1.3776  716.111    54.121   733.970    55.170   260.125    278.769  36.720  1.3872  21.734  8.3774  14.98680       8.491463  
1 1 1 -7  21  34 o 22.927  10.793  -66.2918   690.461  0.0000     0.0000   -66.2918   690.461  ?       ?       22.927  10.793  0.000000       10.79291  
1 1 1 -7  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  22  1  o 465.836 9.2300  117665.40  4656.98  110203.40  8068.27  121393.40  5702.87  450.200 16.546  473.023 11.131  -22.82321      19.94210  
1 1 1 -7  22  2  o 758.984 17.613  313383.00  14478.60 295215.81  20475.08 331552.81  20476.60 734.774 25.728  779.096 24.266  -44.32166      35.36597  
1 1 1 -7  22  3  o 357.904 5.9733  69406.44   2315.53  67682.69   3274.22  71131.09   3275.09  353.334 8.5556  362.233 8.3477  -8.898621      11.95335  
1 1 1 -7  22  4  o 381.013 7.0030  78674.85   2889.97  77128.69   4465.35  79789.28   3791.02  377.053 10.934  383.605 9.1243  -6.551453      14.24107  
1 1 1 -7  22  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  22  6  o 516.472 8.6840  144627.20  4857.78  141394.00  6869.53  147861.09  6870.34  510.349 12.428  521.917 12.154  -11.56830      17.38270  
1 1 1 -7  22  7  o 595.896 9.8904  192611.20  6383.44  195181.50  9027.56  190040.91  9027.52  599.388 13.906  591.417 14.093  7.971313       19.79853  
1 1 1 -7  22  8  o 493.387 9.5342  132041.59  5094.96  129255.70  8822.95  133435.41  6240.65  487.347 16.715  495.792 11.621  -8.444489      20.35799  
1 1 1 -7  22  9  o 723.446 13.747  284462.91  10771.60 282445.41  13192.80 288497.41  18656.03 720.208 16.913  725.966 23.726  -5.758301      29.13723  
1 1 1 -7  22  10 o 419.800 6.9369  95539.32   3154.10  93432.13   4460.67  97646.32   4460.48  414.916 9.9259  424.190 9.7085  -9.273834      13.88446  
1 1 1 -7  22  11 o 237.218 4.3566  30489.61   1119.35  30860.23   1585.32  30121.14   1580.70  238.596 6.1346  235.720 6.1913  2.876648       8.715812  
1 1 1 -7  22  12 o 384.698 7.6118  80292.50   3171.58  80549.65   3884.67  79778.43   5492.54  385.139 9.3125  382.755 13.249  2.383850       16.19438  
1 1 1 -7  22  13 o 60.199  3.0734  1968.38    199.723  1614.65    286.457  2303.00    278.609  54.356  4.9189  65.071  3.9721  -10.71479      6.322481  
1 1 1 -7  22  14 o 146.867 3.2067  11686.76   510.095  11857.01   728.579  11523.08   714.398  147.896 4.5483  145.800 4.5239  2.096741       6.415041  
1 1 1 -7  22  15 o 93.083  2.8632  4694.33    288.666  4919.25    577.054  4619.26    333.376  95.060  5.6297  92.328  3.3337  2.731583       6.542758  
1 1 1 -7  22  16 f 92.693  2.8722  4655.43    288.357  4777.97    575.749  4614.40    333.152  93.661  5.7027  92.275  3.3334  1.385735       6.605432  
1 1 1 -7  22  17 o 425.637 7.2314  98477.27   3333.75  100529.90  6667.20  97792.98   3849.54  427.702 14.392  423.884 8.3848  3.817993       16.65667  
1 1 1 -7  22  18 o 160.037 3.4254  13883.07   593.743  15226.74   1187.50  13435.20   685.592  167.395 6.5497  157.406 4.0214  9.988556       7.685711  
1 1 1 -7  22  19 o 114.533 3.0658  7109.89    380.320  7783.66    759.708  6884.56    439.336  119.705 5.8595  112.686 3.5996  7.019417       6.876883  
1 1 1 -7  22  20 o 201.871 3.9448  22104.23   862.520  23149.06   1724.46  21755.64   996.063  206.124 7.7242  200.216 4.5932  5.908096       8.986725  
1 1 1 -7  22  21 o 167.201 3.5268  15162.17   638.698  15761.50   1275.81  14961.73   737.811  170.115 6.9242  166.049 4.1024  4.066391       8.048284  
1 1 1 -7  22  22 o 117.564 3.1359  7495.98    399.310  8797.65    787.352  7045.25    463.315  127.146 5.7174  113.938 3.7544  13.20788       6.839831  
1 1 1 -7  22  23 o 130.814 3.2831  9287.11    465.170  9758.14    962.654  9143.62    531.319  133.645 6.6504  129.754 3.7806  3.891602       7.649882  
1 1 1 -7  22  24 o 76.340  2.6804  3162.34    221.629  3377.44    325.481  2976.39    302.628  78.813  3.8129  73.891  3.7941  4.921600       5.379035  
1 1 1 -7  22  25 o 152.807 3.4724  12704.08   574.694  12277.46   1287.53  12810.23   642.218  148.527 8.0334  153.359 3.8664  -4.831146      8.915400  
1 1 1 -7  22  26 o 12.403  5.8055  -190.2646  194.934  52.030     419.685  -256.9166  220.119  23.044  9.7490  12.681  6.0070  10.36249       11.45108  
1 1 1 -7  22  27 o 49.113  4.5925  1334.34    241.459  1585.20    494.598  1255.85    276.669  52.144  9.0878  47.418  5.4884  4.725395       10.61655  
1 1 1 -7  22  28 o 72.290  3.3809  2854.70    264.718  2431.62    570.484  2970.79    298.839  64.885  8.3084  73.577  3.7625  -8.691971      9.120634  
1 1 1 -7  22  29 o 38.439  1.3700  801.593    57.038   904.502    469.218  800.050    57.464   38.172  10.841  38.401  1.3816  -0.2296028     10.92913  
1 1 1 -7  22  30 o 40.892  5.4448  951.255    235.159  593.590    488.979  1058.86    268.213  31.748  11.298  43.002  5.9153  -11.25341      12.75322  
1 1 1 -7  22  31 o 19.162  7.8943  100.367    264.524  -267.4533  456.514  286.288    324.564  19.543  9.0583  23.992  9.0896  -4.448898      12.83252  
1 1 1 -7  22  32 o 16.463  7.0764  22.720     227.367  240.783    463.912  -46.2205   260.843  24.826  10.360  16.400  7.2970  8.425644       12.67197  
1 1 1 -7  22  33 o 31.142  8.3006  646.127    285.063  0.0000     0.0000   646.127    285.063  ?       ?       31.142  8.3006  0.000000       8.300588  
1 1 1 -7  22  34 o 26.553  11.859  412.936    695.881  0.0000     0.0000   412.936    695.881  ?       ?       26.553  11.859  0.000000       11.85882  
1 1 1 -7  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  23  1  o 113.869 2.6993  7022.58    332.912  7481.51    472.848  6571.47    468.795  117.525 3.7147  110.144 3.9296  7.380775       5.407467  
1 1 1 -7  23  2  o 171.972 3.3985  16018.75   633.020  15828.87   853.847  16250.48   943.270  170.937 4.6118  173.194 5.0284  -2.256393      6.823060  
1 1 1 -7  23  3  o 429.723 7.2447  100081.50  3371.93  97101.50   4768.18  103062.60  4769.09  423.102 10.405  435.916 10.101  -12.81390      14.50140  
1 1 1 -7  23  4  o 519.925 8.9786  146571.09  5056.13  135570.59  7843.19  154393.30  6613.86  499.548 14.496  533.417 11.448  -33.86835      18.47107  
1 1 1 -7  23  5  o 128.468 2.9241  8938.96    406.867  9048.86    574.687  8828.51    576.109  129.247 4.1053  127.663 4.1665  1.583832       5.849164  
1 1 1 -7  23  6  o 566.425 9.3468  173993.59  5734.27  170993.50  8109.30  176994.09  8109.66  561.113 13.343  570.901 13.115  -9.788147      18.70959  
1 1 1 -7  23  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  23  8  o 246.730 5.1695  32983.31   1381.46  31143.62   2389.12  33907.38   1693.24  239.625 9.2052  250.135 6.2499  -10.50952      11.12644  
1 1 1 -7  23  9  o 580.269 11.083  182791.20  6965.58  185415.09  8531.57  177545.30  12063.26 584.078 13.486  570.426 19.525  13.65186       23.72991  
1 1 1 -7  23  10 o 821.638 13.472  367118.50  11989.09 366813.31  16955.24 367423.81  16955.02 819.582 19.100  820.270 19.084  -0.6876221     27.00048  
1 1 1 -7  23  11 o 44.098  3.3393  1059.50    158.311  1279.52    240.937  892.333    210.008  48.370  4.6565  40.280  4.9156  8.089615       6.770982  
1 1 1 -7  23  12 o 400.381 7.8910  86991.24   3421.98  86847.00   4190.63  87279.91   5928.26  399.843 9.6765  400.226 13.676  -0.3828735     16.75297  
1 1 1 -7  23  13 o 37.897  4.1141  787.464    166.158  856.480    232.074  714.875    238.003  39.350  5.6034  35.769  6.3772  3.581463       8.489241  
1 1 1 -7  23  14 o 386.161 7.1136  80953.89   2975.30  80027.72   4599.87  81620.12   3901.31  383.280 11.080  387.412 9.2975  -4.132660      14.46447  
1 1 1 -7  23  15 o 334.308 5.7995  60638.27   2099.95  59956.43   4198.83  60865.71   2425.02  331.473 11.695  334.831 6.6868  -3.358307      13.47195  
1 1 1 -7  23  16 o 521.261 8.7253  147867.50  4926.15  150485.50  9851.87  146994.80  5688.31  522.069 17.423  519.286 10.114  2.782654       20.14555  
1 1 1 -7  23  17 o 157.167 3.3489  13388.09   570.072  12766.81   1132.99  13598.70   659.656  153.280 6.8245  158.378 3.8455  -5.097763      7.833356  
1 1 1 -7  23  18 o 140.696 3.3375  10729.82   508.593  11363.58   1117.46  10564.24   571.181  144.560 7.1370  139.589 3.7779  4.971542       8.075201  
1 1 1 -7  23  19 o 279.204 4.9847  42310.16   1507.42  42270.93   3011.13  42323.28   1741.34  278.146 9.9951  279.144 5.7595  -0.9972534     11.53573  
1 1 1 -7  23  20 o 65.247  3.2429  2308.03    229.174  2935.57    459.627  2100.40    264.382  73.265  5.8407  62.102  3.9511  11.16300       7.051585  
1 1 1 -7  23  21 o 157.994 3.5161  13538.57   601.694  12636.08   1369.12  13754.61   669.848  151.885 8.3547  159.223 3.8842  -7.338455      9.213428  
1 1 1 -7  23  22 o 50.180  1.9939  1364.46    108.370  1418.02    395.376  1360.11    112.686  50.424  7.4650  50.098  2.0767  0.3257942      7.748449  
1 1 1 -7  23  23 o 79.301  3.0588  3412.26    262.722  2708.72    518.461  3655.32    304.746  70.045  6.9246  82.057  3.4289  -12.01215      7.727078  
1 1 1 -7  23  24 f 51.821  3.5835  1466.55    199.896  956.284    395.281  1641.89    231.709  40.757  9.1755  54.801  3.9298  -14.04451      9.981668  
1 1 1 -7  23  25 o 142.137 3.2524  10987.22   500.704  12984.51   1034.26  10375.81   572.233  153.661 6.2143  138.014 3.8281  15.64781       7.298745  
1 1 1 -7  23  26 o 63.189  2.6454  2170.07    181.053  2116.33    226.514  2265.17    301.287  62.242  3.3726  64.219  4.3574  -1.976715      5.510064  
1 1 1 -7  23  27 o 100.608 2.8653  5509.98    312.231  5494.35    564.775  5516.86    374.699  99.733  5.2468  100.557 3.4403  -0.8243866     6.274170  
1 1 1 -7  23  28 o 35.663  1.7808  690.451    68.785   698.375    71.450   590.156    254.193  35.816  1.8482  31.725  7.5135  4.091429       7.737473  
1 1 1 -7  23  29 o 42.613  1.3737  985.159    63.401   1032.28    65.576   310.240    248.194  43.619  1.3880  23.807  8.0736  19.81257       8.192035  
1 1 1 -7  23  30 o 39.168  5.5928  876.677    230.523  1146.88    477.677  794.645    263.201  42.602  10.435  36.790  6.8575  5.812092       12.48648  
1 1 1 -7  23  31 o 41.746  5.5757  999.699    245.803  1019.72    492.678  993.064    283.623  39.389  11.082  41.170  6.5822  -1.781158      12.88936  
1 1 1 -7  23  32 o 26.838  7.7360  447.548    237.204  317.087    477.761  490.228    273.263  25.985  10.646  27.897  8.3740  -1.911825      13.54480  
1 1 1 -7  23  33 o 31.539  8.8742  680.770    315.906  0.0000     0.0000   680.770    315.906  ?       ?       31.539  8.8742  0.000000       8.874152  
1 1 1 -7  23  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  24  1  o 662.601 15.455  238600.30  11091.68 226562.20  15685.48 250639.91  15686.53 644.410 22.473  678.030 21.360  -33.61975      31.00497  
1 1 1 -7  24  2  o 136.596 3.0791  10105.94   455.550  10264.78   643.716  9946.58    644.776  137.656 4.3175  135.505 4.3932  2.151047       6.159626  
1 1 1 -7  24  3  o 434.131 7.7040  102156.80  3622.47  99989.40   4745.12  105184.50  5608.28  429.357 10.204  440.257 11.761  -10.90015      15.57057  
1 1 1 -7  24  4  o 311.374 5.7110  52531.54   1926.03  50563.35   2961.05  53974.95   2535.76  305.374 8.9525  315.568 7.4190  -10.19437      11.62704  
1 1 1 -7  24  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  24  6  o 815.972 27.045  364873.00  23901.71 0.0000     0.0000   364873.00  23901.71 ?       ?       815.972 27.045  0.000000       27.04480  
1 1 1 -7  24  7  o 502.608 9.7063  137026.41  5283.86  136255.20  9149.57  137412.30  6472.21  500.370 16.883  503.112 11.877  -2.742035      20.64200  
1 1 1 -7  24  8  o 497.710 11.783  134496.09  6351.91  136536.20  8982.79  132455.91  8983.12  500.843 16.559  493.264 16.814  7.579193       23.59928  
1 1 1 -7  24  9  o 868.268 16.406  410530.00  15429.02 409983.41  18896.99 411623.09  26722.76 866.484 20.135  864.619 28.536  1.865295       34.92443  
1 1 1 -7  24  10 o 318.944 5.8596  55135.01   2024.18  57651.90   3119.39  53304.39   2660.34  325.970 8.8353  313.502 7.8348  12.46851       11.80876  
1 1 1 -7  24  11 o 92.553  3.2916  4640.38    329.959  4899.62    580.501  4516.64    401.045  94.904  5.6734  91.303  4.0554  3.601364       6.973781  
1 1 1 -7  24  12 o 321.372 6.5079  56012.80   2265.28  56090.62   2774.70  55857.26   3922.69  321.479 7.9688  320.458 11.302  1.021210       13.82857  
1 1 1 -7  24  13 o 646.573 10.771  227492.80  7543.21  224420.30  10668.17 230564.91  10667.25 640.597 15.376  649.393 15.166  -8.796204      21.59684  
1 1 1 -7  24  14 o 41.752  3.7124  952.153    166.127  1200.85    240.789  726.240    229.496  46.816  4.8175  36.095  6.0869  10.72106       7.762619  
1 1 1 -7  24  15 o 381.426 6.8164  78996.88   2816.04  77763.93   5223.15  79502.13   3343.61  377.184 12.785  382.440 8.0720  -5.255981      15.12018  
1 1 1 -7  24  16 o 83.112  2.9072  3742.90    261.706  3719.92    516.494  3750.84    303.560  82.585  5.8113  83.192  3.3689  -0.6074219     6.717213  
1 1 1 -7  24  17 o 172.143 3.5218  16062.59   656.629  15675.83   1310.91  16192.13   758.663  169.817 7.1273  172.810 4.0533  -2.992859      8.199229  
1 1 1 -7  24  18 o 410.394 6.9798  91572.88   3102.53  90769.23   6204.14  91840.88   3582.67  406.113 14.105  410.724 8.0535  -4.610504      16.24200  
1 1 1 -7  24  19 o 254.234 4.6102  35070.60   1269.47  36744.04   2538.32  34512.43   1465.97  259.521 9.0303  252.116 5.3685  7.405151       10.50560  
1 1 1 -7  24  20 o 312.665 5.8804  53135.91   1991.38  54463.63   3706.35  52597.07   2361.13  315.162 10.858  310.836 7.0133  4.326813       12.92584  
1 1 1 -7  24  21 f 48.692  3.8406  1294.29    200.903  1470.88    400.209  1234.79    232.293  51.425  7.3983  47.470  4.5746  3.954426       8.698366  
1 1 1 -7  24  22 o 85.368  2.8088  3951.59    259.707  4203.77    562.838  3883.38    292.734  87.658  5.9637  84.612  3.1943  3.045517       6.765241  
1 1 1 -7  24  23 o 122.139 3.0740  8095.35    406.657  7701.90    813.416  8226.45    469.547  118.574 6.3568  123.085 3.5221  -4.511452      7.267348  
1 1 1 -7  24  24 o 72.516  3.1013  2856.01    243.588  2030.68    480.463  3141.54    282.600  60.285  7.5221  76.030  3.4317  -15.74569      8.267901  
1 1 1 -7  24  25 o 156.423 3.3669  13312.61   570.420  15627.12   1164.03  12581.16   654.376  168.467 6.3794  151.926 3.9767  16.54057       7.517407  
1 1 1 -7  24  26 o 89.601  2.9439  4367.35    285.694  4843.76    650.830  4253.64    317.967  93.352  6.4770  88.373  3.3220  4.978912       7.279171  
1 1 1 -7  24  27 o 116.594 3.1580  7409.21    398.800  8170.10    823.152  7175.83    455.874  121.139 6.2954  114.614 3.6723  6.524918       7.288222  
1 1 1 -7  24  28 o 49.226  2.6185  1323.02    139.105  1190.22    160.027  1733.60    281.389  46.588  3.1906  55.912  4.6899  -9.323524      5.672312  
1 1 1 -7  24  29 o 32.649  1.2509  578.156    44.236   592.042    45.031   195.253    236.468  33.039  1.2584  20.727  7.7793  12.31127       7.880386  
1 1 1 -7  24  30 o 22.387  2.4209  276.446    57.766   255.488    59.327   659.121    253.505  21.480  2.6033  33.283  7.2383  -11.80378      7.692246  
1 1 1 -7  24  31 o 37.975  2.3874  790.364    97.697   742.802    104.569  1116.99    274.027  36.760  2.6440  44.006  5.8976  -7.245941      6.463155  
1 1 1 -7  24  32 o 31.155  1.8619  531.097    62.542   528.939    64.217   570.846    275.623  31.082  1.9169  29.982  8.2352  1.100691       8.455350  
1 1 1 -7  24  33 o 52.269  1.8675  1494.04    105.726  0.0000     0.0000   1494.04    105.726  ?       ?       52.269  1.8675  0.000000       1.867535  
1 1 1 -7  24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  25  1  o 350.928 5.6213  66723.86   2136.63  65559.34   3021.46  67888.66   3021.83  347.767 8.0216  353.897 7.8836  -6.129974      11.24705  
1 1 1 -7  25  2  o 439.315 7.2095  104600.00  3430.44  102247.60  4851.14  106952.90  4851.60  434.169 10.316  444.063 10.087  -9.893127      14.42819  
1 1 1 -7  25  3  o 496.888 9.5657  133894.30  5148.06  129749.30  8913.54  135969.00  6306.18  488.422 16.849  500.556 11.632  -12.13376      20.47435  
1 1 1 -7  25  4  o 169.602 3.3215  15580.36   610.154  16120.58   862.551  15039.30   863.227  172.504 4.6165  166.616 4.7834  5.887726       6.647820  
1 1 1 -7  25  5  o 289.040 5.4687  45265.05   1712.03  44997.91   2627.25  45462.21   2257.04  288.091 8.4198  289.618 7.1952  -1.526764      11.07539  
1 1 1 -7  25  6  o 394.954 9.4965  84602.87   4062.36  84255.33   5744.53  84950.54   5745.57  393.843 13.467  395.469 13.414  -1.626190      19.00739  
1 1 1 -7  25  7  o 245.647 5.6111  32696.73   1492.91  32277.26   2360.67  32976.30   1927.24  243.962 8.9339  246.650 7.2141  -2.688171      11.48299  
1 1 1 -7  25  8  o 554.305 10.471  166743.00  6286.46  169321.00  7699.83  161589.09  10886.99 558.294 12.733  544.472 18.461  13.82214       22.42678  
1 1 1 -7  25  9  o 205.442 3.9148  22864.45   871.100  22920.99   1232.37  22807.99   1231.47  205.662 5.5324  205.154 5.5421  0.5078430      7.830897  
1 1 1 -7  25  10 o 265.732 4.7430  38262.74   1365.12  38716.30   1931.26  37809.82   1929.88  267.227 6.6725  264.077 6.7473  3.150238       9.489388  
1 1 1 -7  25  11 o 150.084 3.8232  12203.98   621.483  11429.48   1092.66  12574.37   755.613  145.170 6.9492  152.330 4.5798  -7.159912      8.322625  
1 1 1 -7  25  12 o 276.970 5.7400  41592.88   1721.93  40928.22   2109.17  42921.27   2981.76  274.663 7.0899  281.041 9.7956  -6.378235      12.09221  
1 1 1 -7  25  13 o 91.606  2.8548  4546.13    283.252  4717.26    403.310  4379.57    397.901  93.299  3.9911  89.896  4.0866  3.402931       5.712237  
1 1 1 -7  25  14 o 433.380 8.0463  102051.30  3776.90  100007.20  4946.31  104909.70  5849.19  428.483 10.658  438.433 12.318  -9.950562      16.28849  
1 1 1 -7  25  15 o 153.921 3.8957  12841.64   649.466  13235.77   1069.95  12611.70   817.248  156.153 6.3262  152.496 4.9480  3.657028       8.031401  
1 1 1 -7  25  16 o 255.777 4.6649  35480.96   1292.33  34881.16   2581.18  35681.62   1492.93  253.040 9.4180  256.438 5.3751  -3.398346      10.84392  
1 1 1 -7  25  17 f 162.600 3.5895  14331.74   632.161  14407.38   1473.73  14314.68   699.814  162.465 8.4038  162.485 3.9765  -0.2075195E-01 9.297143  
1 1 1 -7  25  18 o 315.581 5.5109  54069.42   1883.68  54787.30   3764.01  53829.56   2175.73  316.493 10.980  314.746 6.3823  1.747528       12.70046  
1 1 1 -7  25  19 o 56.284  2.2388  1716.37    136.483  1819.65    165.167  1494.03    242.345  57.947  2.6316  52.302  4.3166  5.645702       5.055555  
1 1 1 -7  25  20 o 151.078 3.3514  12375.79   548.393  12659.30   1094.83  12280.84   633.608  152.528 6.6271  150.465 3.8879  2.062256       7.683406  
1 1 1 -7  25  21 o 156.108 3.5308  13218.66   596.991  12994.17   1356.44  13272.59   664.844  154.029 8.1598  156.396 3.9249  -2.366821      9.054635  
1 1 1 -7  25  22 o 157.437 3.4282  13449.15   584.585  12848.03   1165.61  13651.17   675.710  153.408 7.0151  158.567 3.9344  -5.159149      8.043092  
1 1 1 -7  25  23 o 58.410  3.4672  1859.12    218.368  1561.85    420.853  1968.63    255.445  52.849  7.5685  60.058  3.9490  -7.209850      8.536738  
1 1 1 -7  25  24 o 149.831 3.4560  12202.62   560.841  11756.76   1243.71  12316.42   628.355  145.727 7.9093  150.460 3.8558  -4.732483      8.799117  
1 1 1 -7  25  25 o 30.711  5.7918  534.402    185.589  562.269    448.316  528.639    203.878  32.226  10.851  30.432  6.3890  1.794132       12.59237  
1 1 1 -7  25  26 o 25.234  7.1914  363.371    206.093  242.966    442.738  396.679    232.860  26.328  10.435  26.374  7.6830  -0.4630470E-01 12.95868  
1 1 1 -7  25  27 o 86.132  3.3164  4046.79    309.381  4420.90    638.125  3931.83    353.736  88.821  6.6821  84.793  3.8517  4.028732       7.712692  
1 1 1 -7  25  28 o 24.525  7.2566  345.735    206.301  167.947    442.947  394.984    233.131  24.833  10.221  26.129  7.7093  -1.296352      12.80255  
1 1 1 -7  25  29 o 59.509  4.0520  1957.75    259.616  1064.22    527.379  2243.54    298.259  41.003  11.441  63.625  4.3543  -22.62206      12.24147  
1 1 1 -7  25  30 o 13.113  3.0667  97.919     42.778   85.590     43.600   415.582    221.315  12.273  3.2344  26.413  7.4262  -14.13929      8.099997  
1 1 1 -7  25  31 f 104.933 3.1504  6049.39    358.058  6121.29    622.875  6013.91    437.584  103.874 5.5565  104.244 3.8756  -0.3699646     6.774588  
1 1 1 -7  25  32 o 48.441  1.4748  1276.44    77.376   1501.48    135.620  1167.83    94.216   52.350  2.3919  46.271  1.8799  6.078968       3.042243  
1 1 1 -7  25  33 o 22.889  8.2889  324.374    264.427  0.0000     0.0000   324.374    264.427  ?       ?       22.889  8.2889  0.000000       8.288919  
1 1 1 -7  25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  26  1  o 544.050 18.170  161099.70  10706.78 0.0000     0.0000   161099.70  10706.78 ?       ?       544.050 18.170  0.000000       18.16977  
1 1 1 -7  26  2  o 504.885 8.4451  138197.09  4618.13  134341.20  6530.71  142053.70  6531.32  497.504 12.120  511.617 11.787  -14.11267      16.90593  
1 1 1 -7  26  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  26  4  o 241.562 4.5093  31610.87   1179.79  31793.75   1668.22  31427.88   1668.73  242.221 6.3587  240.822 6.3976  1.398697       9.020162  
1 1 1 -7  26  5  o 246.801 4.2846  32996.11   1145.32  32107.15   1619.48  33885.62   1619.97  243.415 6.1427  250.070 5.9810  -6.654709      8.573512  
1 1 1 -7  26  6  o 230.832 4.7154  28866.82   1178.93  26527.64   2034.66  30049.07   1446.49  221.188 8.4930  235.492 5.6711  -14.30409      10.21238  
1 1 1 -7  26  7  o 157.214 4.6476  13390.34   791.393  13292.79   1117.48  13488.49   1120.92  156.609 6.5880  157.758 6.5601  -1.149155      9.297176  
1 1 1 -7  26  8  o 349.396 6.8943  66173.70   2609.01  66913.95   3196.10  64695.25   4516.90  351.264 8.4007  345.133 12.083  6.130829       14.71654  
1 1 1 -7  26  9  o 89.458  2.7106  4334.63    262.639  4386.77    372.425  4283.05    370.438  89.987  3.8211  88.917  3.8465  1.070305       5.421818  
1 1 1 -7  26  10 o 166.121 3.3925  14949.36   610.394  15472.80   864.546  14429.11   861.916  168.980 4.7237  163.178 4.8768  5.801834       6.789444  
1 1 1 -7  26  11 o 364.508 7.2113  72071.77   2847.02  73987.24   4936.07  71116.88   3485.16  368.736 12.359  361.931 8.8905  6.804535       15.22482  
1 1 1 -7  26  12 o 165.654 3.9514  14869.56   708.964  13999.51   870.727  16580.91   1221.18  160.706 5.0024  174.842 6.4486  -14.13559      8.161404  
1 1 1 -7  26  13 o 164.471 3.4425  14657.29   613.254  13856.75   868.037  15455.01   866.510  159.869 5.0131  168.847 4.7382  -8.978439      6.897893  
1 1 1 -7  26  14 o 99.337  2.9122  5346.34    313.335  5425.16    451.258  5272.96    435.411  100.043 4.1645  98.632  4.0758  1.411407       5.827126  
1 1 1 -7  26  15 o 634.581 10.537  219521.50  7242.36  223310.00  10243.22 215734.50  10241.27 637.985 14.824  626.928 15.082  11.05719       21.14748  
1 1 1 -7  26  16 o 349.841 6.0346  66444.38   2286.61  62512.06   4571.40  67756.53   2640.70  337.962 12.489  353.144 6.9039  -15.18207      14.26982  
1 1 1 -7  26  17 o 234.976 4.3058  29943.07   1095.85  27215.92   2179.34  30865.95   1267.78  223.491 9.0031  238.519 4.9074  -15.02791      10.25373  
1 1 1 -7  26  18 o 347.828 6.9951  65788.10   2635.30  65062.50   4488.65  66169.77   3255.43  344.531 12.029  348.466 8.6254  -3.934814      14.80154  
1 1 1 -7  26  19 o 237.370 4.4097  30569.22   1133.71  30866.31   2267.84  30470.24   1309.02  237.873 8.8024  236.912 5.1014  0.9608154      10.17377  
1 1 1 -7  26  20 o 150.221 3.4189  12236.58   556.271  11584.40   1242.80  12399.97   622.063  145.543 7.9136  151.197 3.7986  -5.654526      8.778088  
1 1 1 -7  26  21 o 238.763 4.4343  30953.55   1146.73  33832.44   2292.98  29993.38   1324.22  248.748 8.5108  234.915 5.2045  13.83362       9.976014  
1 1 1 -7  26  22 o 131.563 3.1859  9389.85    453.977  8448.01    945.317  9672.17    517.566  124.176 7.0578  133.496 3.5795  -9.320038      7.913615  
1 1 1 -7  26  23 o 88.057  3.0010  4208.11    286.216  4255.91    568.343  4191.87    331.291  88.079  5.9932  87.855  3.4816  0.2245560      6.931042  
1 1 1 -7  26  24 o 82.290  2.9923  3677.80    266.695  3193.96    526.721  3844.61    309.269  76.023  6.4580  84.100  3.3952  -8.077698      7.296130  
1 1 1 -7  26  25 o 43.462  1.4089  1023.84    66.322   1289.55    97.559   795.532    90.434   48.761  1.8472  38.225  2.1935  10.53667       2.867683  
1 1 1 -7  26  26 o 48.477  4.4033  1296.09    228.676  1211.67    480.305  1320.83    260.040  45.285  10.054  48.818  4.9881  -3.532597      11.22381  
1 1 1 -7  26  27 o 67.803  3.7106  2520.08    271.460  3229.72    553.353  2295.17    311.522  75.768  6.8159  64.514  4.4862  11.25382       8.159775  
1 1 1 -7  26  28 o 27.764  1.3062  418.041    39.281   73.236     446.993  420.725    39.433   23.602  10.027  27.853  1.3071  -4.251600      10.11192  
1 1 1 -7  26  29 o 25.791  7.4095  390.420    217.929  536.371    454.225  346.778    248.383  30.728  10.894  24.727  8.0690  6.001392       13.55715  
1 1 1 -7  26  30 o 54.695  4.2490  1665.75    249.736  1540.31    518.032  1703.73    285.047  49.703  9.9696  55.104  4.8246  -5.400410      11.07568  
1 1 1 -7  26  31 o 35.189  2.0966  677.328    79.546   664.318    83.248   813.926    269.751  34.827  2.2185  36.943  6.9977  -2.116051      7.340936  
1 1 1 -7  26  32 f 53.016  2.4544  1541.51    140.938  1551.61    160.611  1507.69    293.897  53.017  2.8070  50.982  5.4049  2.034950       6.090293  
1 1 1 -7  26  33 o 16.820  7.3680  21.698     256.345  0.0000     0.0000   21.698     256.345  ?       ?       16.820  7.3680  0.000000       7.368001  
1 1 1 -7  26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  27  1  f 737.802 24.454  297529.50  19541.77 297529.50  19541.77 0.0000     0.0000   737.802 24.454  ?       ?       0.000000       24.45423  
1 1 1 -7  27  2  o 304.143 5.4204  50118.20   1785.57  48688.14   2524.94  51548.79   2525.41  299.700 7.7785  308.387 7.5608  -8.686737      10.84756  
1 1 1 -7  27  3  o 677.318 22.480  250427.80  16491.40 250427.80  16491.40 0.0000     0.0000   677.318 22.480  ?       ?       0.000000       22.47994  
1 1 1 -7  27  4  o 195.948 3.6408  20797.76   772.699  20451.91   1091.97  21144.61   1093.55  194.291 5.1891  197.555 5.1107  -3.264175      7.283254  
1 1 1 -7  27  5  o 612.680 11.650  203748.70  7730.97  196708.50  13386.96 207271.59  9469.70  600.557 20.581  617.620 14.156  -17.06250      24.97910  
1 1 1 -7  27  6  o 412.400 7.8245  92203.26   3494.99  84481.41   6049.24  96072.34   4281.97  394.270 14.166  420.864 9.3936  -26.59393      16.99723  
1 1 1 -7  27  7  o 482.367 9.1634  126206.50  4787.44  126771.20  5863.91  125077.70  8290.61  483.257 11.203  479.436 15.966  3.820923       19.50413  
1 1 1 -7  27  8  o 390.716 7.6819  82774.41   3250.87  81218.80   3981.90  85883.64   5629.48  386.902 9.5021  397.525 13.075  -10.62299      16.16292  
1 1 1 -7  27  9  o 231.088 4.2782  28932.56   1070.80  29230.05   1628.01  28705.72   1421.59  232.207 6.4731  230.141 5.7031  2.066162       8.627033  
1 1 1 -7  27  10 o 224.084 4.1282  27206.46   1001.95  26849.78   1417.33  27562.78   1416.62  222.556 5.8798  225.494 5.8003  -2.938568      8.259233  
1 1 1 -7  27  11 o 181.202 4.2058  17791.81   825.437  17973.88   1434.78  17701.74   1009.17  182.021 7.2777  180.716 5.1558  1.304657       8.918902  
1 1 1 -7  27  12 o 520.329 9.9819  147198.30  5625.53  138787.20  6889.38  164027.50  9745.03  504.657 12.604  547.436 16.435  -42.77899      20.71200  
1 1 1 -7  27  13 o 190.962 3.7568  19761.62   777.036  19910.83   1099.81  19612.90   1097.99  191.619 5.2992  190.178 5.3305  1.440491       7.516320  
1 1 1 -7  27  14 o 203.430 4.1608  22432.39   916.767  22097.87   1224.39  22859.24   1383.08  201.831 5.6009  205.238 6.2218  -3.407043      8.371469  
1 1 1 -7  27  15 o 103.412 2.9387  5794.50    329.151  5762.38    468.402  5825.84    462.630  103.097 4.1947  103.665 4.1203  -0.5680695     5.879852  
1 1 1 -7  27  16 o 254.468 4.6260  35119.41   1275.00  37263.07   2549.19  34404.26   1472.40  261.582 8.9976  251.796 5.3989  9.785767       10.49307  
1 1 1 -7  27  17 f 252.656 4.6045  34626.38   1260.03  32549.04   2517.97  35320.37   1455.36  244.311 9.5156  255.111 5.2671  -10.80078      10.87611  
1 1 1 -7  27  18 o 92.301  2.7850  4616.75    278.416  4656.54    476.114  4596.07    343.215  92.517  4.7676  92.078  3.4415  0.4387817      5.879931  
1 1 1 -7  27  19 o 327.970 6.2116  58467.63   2206.53  61395.41   4102.12  57275.62   2617.45  334.650 11.317  324.346 7.4507  10.30328       13.54981  
1 1 1 -7  27  20 o 59.477  3.4267  1924.65    219.812  1515.31    429.860  2069.58    255.783  52.148  7.8543  61.648  3.8500  -9.500031      8.747121  
1 1 1 -7  27  21 o 133.719 3.2710  9697.61    473.747  9891.70    1002.07  9641.75    537.623  134.538 6.9000  133.305 3.7236  1.233002       7.840604  
1 1 1 -7  27  22 o 181.410 3.6707  17864.90   721.233  17288.20   1439.31  18058.27   833.419  177.791 7.4744  182.319 4.2205  -4.527985      8.583628  
1 1 1 -7  27  23 o 59.757  3.3950  1945.53    218.827  2019.11    424.014  1918.82    255.478  60.393  6.5891  59.275  4.0028  1.118454       7.709677  
1 1 1 -7  27  24 o 168.079 3.5249  15363.27   641.694  15519.65   1280.06  15310.78   741.607  167.888 7.0395  167.672 4.0836  0.2162323      8.138202  
1 1 1 -7  27  25 o 95.269  3.0550  4935.66    315.233  5850.19    672.878  4678.50    356.812  102.926 6.0626  92.686  3.5543  10.24016       7.027711  
1 1 1 -7  27  26 o 42.242  2.2380  971.669    102.028  947.086    110.807  1108.61    261.530  41.678  2.4657  44.548  5.5400  -2.870125      6.063915  
1 1 1 -7  27  27 o 29.880  6.6335  516.579    209.082  828.317    445.267  428.401    236.813  37.144  10.565  27.192  7.6947  9.951685       13.07028  
1 1 1 -7  27  28 o 53.552  4.1410  1584.13    238.318  1839.69    502.767  1510.07    270.656  56.089  8.5460  52.086  4.8535  4.002861       9.828061  
1 1 1 -7  27  29 o 43.571  4.9263  1066.25    228.395  1576.25    483.317  919.619    259.157  51.242  9.0388  40.012  6.1790  11.22934       10.94894  
1 1 1 -7  27  30 o 16.271  6.9224  23.537     213.594  339.267    445.314  -70.8058   243.423  26.831  10.519  15.723  7.0185  11.10858       12.64556  
1 1 1 -7  27  31 o 58.288  2.1026  1852.37    132.740  1691.75    201.058  1976.47    176.731  55.314  3.3721  60.073  2.7162  -4.759247      4.329954  
1 1 1 -7  27  32 o 65.976  2.6359  2393.08    188.359  2547.99    234.837  2113.66    315.399  67.839  3.1960  60.780  4.8309  7.059608       5.792434  
1 1 1 -7  27  33 o 17.876  7.6178  81.940     259.436  0.0000     0.0000   81.940     259.436  ?       ?       17.876  7.6178  0.000000       7.617813  
1 1 1 -7  27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  28  1  o 705.097 16.461  270393.81  12570.97 260518.30  17777.91 280269.69  17778.17 690.503 23.771  716.426 22.911  -25.92291      33.01471  
1 1 1 -7  28  2  o 169.708 3.3682  15599.96   619.117  15946.64   875.890  15253.80   875.238  171.569 4.7135  167.799 4.8158  3.769791       6.738597  
1 1 1 -7  28  3  o 490.920 8.2088  130657.20  4364.78  129233.70  6172.43  132080.91  6173.04  487.967 11.679  493.324 11.553  -5.357666      16.42759  
1 1 1 -7  28  4  o 653.349 13.854  231906.30  9803.83  224753.80  15223.54 236974.50  12814.93 641.668 21.905  659.742 17.934  -18.07404      28.30954  
1 1 1 -7  28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  28  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  28  7  o 397.257 7.7277  85564.23   3325.02  85508.13   4072.88  85676.33   5757.47  397.010 9.4717  397.053 13.388  -0.4260254E-01 16.39970  
1 1 1 -7  28  8  o 769.804 14.409  322387.81  12013.99 326534.59  14714.53 314095.81  20807.54 773.888 17.555  756.225 25.404  17.66260       30.87928  
1 1 1 -7  28  9  o 288.359 5.0784  45060.21   1586.11  44695.45   2242.40  45425.41   2243.79  287.094 7.2114  289.431 7.1576  -2.337769      10.16049  
1 1 1 -7  28  10 o 260.080 4.6476  36654.96   1309.20  36660.42   1852.81  36649.52   1850.17  260.016 6.5790  259.978 6.5706  0.3823853E-01  9.298167  
1 1 1 -7  28  11 o 435.526 8.5055  102981.00  4012.21  100137.40  6950.57  104402.00  4913.51  428.345 14.982  438.257 10.351  -9.911865      18.20975  
1 1 1 -7  28  12 f 172.576 4.0653  16139.76   759.872  15684.36   930.777  17049.81   1315.78  170.092 5.0523  177.263 6.8532  -7.170944      8.514256  
1 1 1 -7  28  13 o 96.088  2.8548  5002.12    297.109  4635.77    421.558  5363.71    418.807  92.481  4.2086  99.484  3.8868  -7.002724      5.728802  
1 1 1 -7  28  14 o 459.685 8.3551  114877.20  4159.89  114452.10  6447.45  115180.40  5444.79  457.583 13.009  459.662 10.936  -2.078583      16.99532  
1 1 1 -7  28  15 o 664.207 11.006  240746.30  7917.60  234762.59  11197.39 246729.50  11196.96 653.255 15.826  669.956 15.431  -16.70032      22.10336  
1 1 1 -7  28  16 o 128.812 3.0954  8991.88    431.858  8023.50    845.734  9333.43    502.277  121.370 6.4568  131.223 3.5340  -9.852081      7.360631  
1 1 1 -7  28  17 o 207.988 3.9906  23455.99   898.967  25287.40   1797.05  22844.72   1038.21  215.592 7.6958  205.213 4.6710  10.37968       9.002456  
1 1 1 -7  28  18 o 86.350  2.9415  4040.95    275.106  3800.01    543.914  4123.77    318.905  83.417  6.0615  87.220  3.3758  -3.802612      6.938180  
1 1 1 -7  28  19 f 290.740 5.4622  45911.71   1720.06  42643.50   4634.81  46433.73   1852.34  276.944 15.514  292.325 5.8504  -15.38086      16.58034  
1 1 1 -7  28  20 o 218.429 4.1492  25888.86   981.622  24405.20   1958.96  26386.31   1134.31  211.406 8.5553  220.451 4.7506  -9.044617      9.785807  
1 1 1 -7  28  21 o 261.773 4.7715  37229.13   1352.84  38435.77   2700.50  36824.86   1563.12  264.757 9.4173  260.202 5.5464  4.555481       10.92924  
1 1 1 -7  28  22 o 147.926 3.3453  11874.90   535.984  10506.98   1180.41  12230.18   601.574  138.272 7.9148  150.088 3.7006  -11.81653      8.737164  
1 1 1 -7  28  23 o 54.632  3.4287  1627.54    201.858  1791.63    400.232  1571.56    233.768  56.828  6.6269  53.606  4.0563  3.222496       7.769760  
1 1 1 -7  28  24 o 38.113  1.4870  787.257    61.385   730.001    89.132   838.915    84.663   36.613  2.2587  39.281  1.9965  -2.667778      3.014603  
1 1 1 -7  28  25 o 114.017 3.1192  7071.41    385.196  8660.35    795.599  6584.91    440.234  125.478 5.8540  109.926 3.6975  15.55231       6.923985  
1 1 1 -7  28  26 o 62.025  3.7298  2107.01    249.401  2094.50    518.436  2110.78    284.482  60.611  8.0998  61.974  4.2641  -1.362873      9.153697  
1 1 1 -7  28  27 o 32.394  1.6562  570.854    57.913   576.675    59.758   480.917    234.884  32.555  1.7007  28.716  7.4781  3.839104       7.669065  
1 1 1 -7  28  28 o 14.890  6.5403  -40.2821   203.183  374.116    418.943  -167.7335  232.337  27.658  10.360  14.131  6.5189  13.52694       12.24000  
1 1 1 -7  28  29 o 69.033  3.6329  2623.54    270.673  2632.08    562.135  2620.97    308.832  67.191  7.8736  68.824  4.1626  -1.633354      8.906229  
1 1 1 -7  28  30 o 46.385  4.9128  1213.11    243.061  976.220    497.566  1287.36    278.559  38.771  11.213  47.564  5.5092  -8.792938      12.49286  
1 1 1 -7  28  31 f 54.142  4.3888  1645.38    255.154  2039.38    524.472  1523.21    292.045  57.632  8.6707  51.671  5.2930  5.960648       10.15855  
1 1 1 -7  28  32 o 4.6111  2.2121  -45.5678   31.877   -49.4487   32.131   196.664    253.850  4.5397  2.1888  20.299  7.9465  -15.75933      8.242445  
1 1 1 -7  28  33 o 61.716  6.3290  2317.36    417.078  0.0000     0.0000   2317.36    417.078  ?       ?       61.716  6.3290  0.000000       6.329041  
1 1 1 -7  28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  29  1  o 173.043 3.5018  16219.43   656.325  16881.06   886.715  15417.73   976.075  176.524 4.6378  168.690 5.3422  7.833969       7.074494  
1 1 1 -7  29  2  o 419.676 7.9344  95480.54   3606.61  89696.63   6242.40  98378.66   4418.75  406.309 14.185  425.898 9.5791  -19.58920      17.11636  
1 1 1 -7  29  3  o 309.747 6.0553  51989.91   2031.47  49206.76   3513.23  53387.91   2489.95  301.144 10.771  313.840 7.3251  -12.69583      13.02592  
1 1 1 -7  29  4  o 151.378 3.5953  12412.63   589.476  11747.90   1009.91  12756.13   725.979  147.235 6.3329  153.451 4.3680  -6.215576      7.693167  
1 1 1 -7  29  5  o 701.066 16.611  267478.41  12612.94 0.0000     0.0000   267478.41  12612.94 ?       ?       701.066 16.611  0.000000       16.61069  
1 1 1 -7  29  6  o 143.663 3.5074  11179.66   545.752  11791.66   669.107  9963.30    943.301  147.535 4.1873  135.585 6.4234  11.94994       7.667707  
1 1 1 -7  29  7  o 395.853 7.7700  84966.35   3331.40  86448.12   4080.74  82005.57   5768.36  399.171 9.4386  388.384 13.713  10.78696       16.64704  
1 1 1 -7  29  8  o 453.027 7.3758  111286.00  3619.10  107179.50  5117.80  115393.70  5118.56  444.286 10.635  461.039 10.250  -16.75391      14.77094  
1 1 1 -7  29  9  o 457.496 8.1327  113550.80  4029.87  109775.10  6244.04  116246.20  5275.75  449.229 12.833  462.615 10.529  -13.38602      16.59965  
1 1 1 -7  29  10 o 176.014 3.5025  16784.27   667.726  17699.06   948.786  15886.55   939.892  180.716 4.8473  171.207 5.0686  9.509048       7.013352  
1 1 1 -7  29  11 o 537.689 10.360  157182.91  6033.48  158244.41  10451.01 156652.30  7389.23  537.398 17.955  536.247 12.722  1.150391       22.00561  
1 1 1 -7  29  12 o 406.189 6.9001  89534.70   3035.67  88135.42   4293.24  90933.77   4292.93  402.573 9.8462  408.940 9.6922  -6.367584      13.81621  
1 1 1 -7  29  13 o 213.703 4.0490  24752.67   937.187  25295.83   1328.00  24213.78   1322.78  215.949 5.6778  211.274 5.7806  4.675446       8.102600  
1 1 1 -7  29  14 o 95.066  2.8675  4896.61    295.254  4639.94    419.182  5149.32    415.940  92.517  4.1832  97.468  3.9400  -4.951546      5.746563  
1 1 1 -7  29  15 o 118.045 3.0119  7550.75    385.090  8058.78    547.306  7052.65    541.932  121.920 4.1446  114.047 4.3872  7.872086       6.035368  
1 1 1 -7  29  16 o 275.782 5.7018  41284.62   1703.14  40276.37   2948.07  41789.70   2086.56  271.732 10.017  277.307 6.9470  -5.574738      12.19002  
1 1 1 -7  29  17 o 91.316  2.8945  4518.77    286.281  5344.83    569.310  4239.19    331.201  99.092  5.3240  88.433  3.4578  10.65842       6.348336  
1 1 1 -7  29  18 o 104.740 2.9556  5945.61    335.291  7047.38    668.269  5574.95    387.609  113.930 5.4155  101.406 3.5291  12.52414       6.463925  
1 1 1 -7  29  19 o 220.535 4.1771  26385.15   997.746  25930.52   1992.71  26537.26   1152.63  218.038 8.4380  221.107 4.8130  -3.068253      9.714219  
1 1 1 -7  29  20 o 193.885 3.9652  20395.01   832.672  19307.12   1574.11  20817.70   981.190  188.161 7.7239  195.818 4.6262  -7.657455      9.003357  
1 1 1 -7  29  21 o 127.290 3.1525  8787.40    434.629  7886.61    859.609  9096.77    503.766  120.112 6.6333  129.483 3.5921  -9.371864      7.543488  
1 1 1 -7  29  22 o 261.314 5.0322  37160.77   1424.26  38252.68   2658.02  36721.00   1686.87  263.576 9.3107  259.497 6.0018  4.079346       11.07746  
1 1 1 -7  29  23 o 133.288 3.1583  9646.53    455.943  8496.49    959.364  9982.08    518.206  124.215 7.1612  135.542 3.5299  -11.32713      7.983917  
1 1 1 -7  29  24 o 37.649  4.3016  782.624    172.262  867.727    339.803  753.188    199.845  38.837  8.3280  36.768  5.1604  2.069393       9.797192  
1 1 1 -7  29  25 o 57.138  2.3402  1772.61    144.826  1862.92    173.636  1566.16    262.532  58.548  2.7382  53.322  4.5905  5.226097       5.345108  
1 1 1 -7  29  26 o 60.508  3.7527  2006.28    244.721  2254.70    510.588  1932.19    278.836  63.065  7.6302  59.250  4.3760  3.815365       8.796008  
1 1 1 -7  29  27 o 21.352  7.2429  240.619    199.747  401.697    425.358  195.048    226.244  28.452  10.481  20.655  7.6372  7.797247       12.96820  
1 1 1 -7  29  28 o 41.964  1.5252  955.578    69.322   1001.20    72.374   448.614    241.249  42.952  1.5557  27.648  7.7464  15.30433       7.901068  
1 1 1 -7  29  29 o 61.658  3.8554  2099.27    256.179  1625.09    533.054  2241.68    292.126  51.491  9.9178  63.587  4.2663  -12.09560      10.79647  
1 1 1 -7  29  30 o 47.797  2.3018  1245.68    119.162  1271.17    498.904  1244.14    122.714  44.641  10.495  47.758  2.3724  -3.116291      10.75991  
1 1 1 -7  29  31 o 14.173  6.4562  -107.5437  218.415  399.100    449.149  -264.4579  249.960  27.323  10.605  13.446  6.3786  13.87693       12.37553  
1 1 1 -7  29  32 o 22.613  1.6808  280.280    40.874   280.423    41.224   271.990    314.505  22.617  1.6952  22.675  8.8538  -0.5847168E-01 9.014653  
1 1 1 -7  29  33 o 17.085  7.8728  -115.3874  337.443  0.0000     0.0000   -115.3874  337.443  ?       ?       17.085  7.8728  0.000000       7.872826  
1 1 1 -7  29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  30  1  o 488.117 9.5973  129227.60  5073.91  130365.80  8785.41  128657.90  6215.26  489.518 16.570  486.850 11.787  2.668030       20.33453  
1 1 1 -7  30  2  o 136.153 3.3012  10040.96   486.825  8727.72    831.721  10725.36   600.426  126.910 6.0508  140.711 3.9397  -13.80115      7.220313  
1 1 1 -7  30  3  o 279.448 5.4699  42312.10   1655.59  39773.23   2861.47  43589.68   2029.84  270.783 9.7566  283.602 6.6082  -12.81912      11.78385  
1 1 1 -7  30  4  o 743.803 17.460  301225.41  14066.22 304867.00  19888.52 297580.81  19896.76 746.316 24.604  737.243 24.917  9.072388       35.01772  
1 1 1 -7  30  5  o 635.137 12.142  219056.41  8352.65  219348.70  10230.38 218471.91  14465.76 635.129 14.872  632.553 21.114  2.576538       25.82587  
1 1 1 -7  30  6  o 262.149 5.3994  37238.06   1533.07  37896.76   1878.48  35924.28   2652.93  264.421 6.5590  257.327 9.5185  7.094147       11.55955  
1 1 1 -7  30  7  o 157.587 3.1256  13451.50   533.479  13404.56   753.125  13498.77   755.789  157.294 4.4206  157.846 4.4207  -0.5518036     6.251795  
1 1 1 -7  30  8  o 517.627 9.2132  145409.30  5165.33  147508.50  6756.00  142455.70  8013.74  520.972 11.973  511.553 14.464  9.418549       18.77626  
1 1 1 -7  30  9  o 440.483 7.3697  105237.40  3516.01  101116.60  4971.78  109360.30  4973.00  431.411 10.640  448.707 10.233  -17.29532      14.76211  
1 1 1 -7  30  10 o 236.247 4.3649  30244.30   1116.89  31544.36   1580.68  28948.04   1578.37  241.202 6.0505  231.050 6.3071  10.15138       8.740070  
1 1 1 -7  30  11 o 42.094  4.9964  974.002    223.346  1020.35    335.409  937.081    299.373  42.734  7.5212  40.989  6.9944  1.745262       10.27079  
1 1 1 -7  30  12 o 183.311 3.6705  18208.94   728.753  16809.34   1031.04  19606.23   1030.19  176.063 5.4068  190.165 5.0017  -14.10228      7.365449  
1 1 1 -7  30  13 o 276.158 5.2088  41358.57   1558.00  40474.17   2390.43  42011.73   2054.28  272.919 8.0867  278.191 6.8178  -5.271576      10.57722  
1 1 1 -7  30  14 o 231.609 4.3094  29081.80   1081.04  28142.04   1529.20  30020.64   1528.44  227.705 6.2004  235.199 5.9999  -7.494080      8.628078  
1 1 1 -7  30  15 o 166.566 3.4531  15036.82   622.972  15469.93   882.491  14606.59   879.549  168.885 4.8245  164.098 4.9486  4.786774       6.911192  
1 1 1 -7  30  16 o 193.089 3.8148  20212.27   797.813  20148.72   1129.96  20275.43   1126.60  192.681 5.4144  193.289 5.3814  -0.6074219     7.633845  
1 1 1 -7  30  17 o 212.360 4.0505  24454.39   931.648  23840.54   1860.89  24659.72   1076.24  209.250 8.2108  213.204 4.6606  -3.954269      9.441324  
1 1 1 -7  30  18 o 119.384 3.0505  7724.93    394.448  7184.22    778.353  7911.78    457.555  114.806 6.2834  120.804 3.4970  -5.997673      7.190934  
1 1 1 -7  30  19 o 139.085 3.2188  10487.41   484.887  11389.43   967.588  10184.92   560.322  144.735 6.1723  137.037 3.7751  7.698242       7.235230  
1 1 1 -7  30  20 f 203.184 4.1965  22405.00   923.515  22436.10   1741.06  22392.82   1089.40  202.772 7.9275  203.044 4.9537  -0.2718353     9.347910  
1 1 1 -7  30  21 o 55.704  3.6612  1691.04    219.660  1583.97    413.017  1733.27    259.387  53.377  7.3381  56.333  4.2833  -2.956463      8.496761  
1 1 1 -7  30  22 o 48.847  2.1506  1293.38    113.782  1324.50    130.492  1194.67    232.398  49.425  2.4376  46.636  4.6634  2.789021       5.262075  
1 1 1 -7  30  23 o 94.791  3.0098  4878.25    309.014  4644.13    601.791  4962.09    360.117  91.940  6.0775  95.562  3.4793  -3.621674      7.002974  
1 1 1 -7  30  24 o 75.061  3.0149  3061.74    245.106  3157.20    483.822  3028.78    284.286  75.621  5.9553  74.610  3.5180  1.011368       6.916740  
1 1 1 -7  30  25 o 130.614 3.2525  9286.14    460.133  9076.04    935.130  9353.26    528.544  127.879 6.7757  130.981 3.7257  -3.102318      7.732443  
1 1 1 -7  30  26 o 18.822  1.1449  192.707    23.229   242.640    34.152   149.724    31.687   21.100  1.5043  16.514  1.8007  4.585487       2.346360  
1 1 1 -7  30  27 o 39.632  1.9289  852.876    82.798   544.436    454.386  863.469    84.208   31.408  10.915  39.876  1.9497  -8.467831      11.08734  
1 1 1 -7  30  28 o 34.376  5.9150  676.677    212.285  727.310    450.531  662.227    240.677  34.665  10.820  33.729  6.8225  0.9358635      12.79126  
1 1 1 -7  30  29 o 27.373  7.0935  443.537    212.023  134.380    448.299  532.615    240.638  24.103  10.130  29.907  7.4551  -5.804411      12.57738  
1 1 1 -7  30  30 o 26.460  7.2735  418.566    214.910  483.412    459.109  400.370    243.200  29.337  10.873  25.946  7.9251  3.391253       13.45477  
1 1 1 -7  30  31 o 34.720  6.4737  716.317    234.490  709.024    479.331  718.612    268.857  32.820  11.219  34.327  7.4455  -1.507545      13.46519  
1 1 1 -7  30  32 o 54.164  2.1181  1606.18    124.259  1732.93    137.981  1062.28    285.820  56.217  2.2661  41.828  6.5216  14.38852       6.904115  
1 1 1 -7  30  33 o 25.189  9.4775  417.046    351.406  0.0000     0.0000   417.046    351.406  ?       ?       25.189  9.4775  0.000000       9.477475  
1 1 1 -7  30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  31  1  o 559.888 10.783  170103.80  6538.78  174794.09  11322.47 167756.80  8009.41  566.461 18.454  555.721 13.307  10.73999       22.75163  
1 1 1 -7  31  2  o 403.143 7.8404  88109.67   3423.46  84285.95   5925.26  90025.74   4194.40  393.849 13.890  407.401 9.5056  -13.55225      16.83131  
1 1 1 -7  31  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  31  4  o 604.590 16.872  198986.59  11048.50 195161.00  20422.18 200569.70  13137.04 593.999 31.859  606.351 20.003  -12.35217      37.61827  
1 1 1 -7  31  5  o 596.595 11.425  193238.41  7382.51  192041.30  9042.22  195631.80  12785.38 594.361 14.046  598.790 19.714  -4.428406      24.20585  
1 1 1 -7  31  6  o 201.883 4.4925  22081.29   982.334  21441.73   1202.75  23362.74   1702.47  198.915 5.5826  207.578 7.5723  -8.662674      9.407730  
1 1 1 -7  31  7  o 181.689 3.6178  17882.50   711.936  17667.87   1004.87  18098.81   1008.80  180.567 5.1381  182.757 5.0964  -2.189743      7.236925  
1 1 1 -7  31  8  o 537.255 8.8057  156636.50  5124.08  152121.70  7246.09  161152.41  7246.98  528.879 12.650  544.416 12.290  -15.53662      17.63689  
1 1 1 -7  31  9  o 278.500 4.7917  42033.18   1445.39  41428.31   2044.71  42637.32   2043.46  276.391 6.8303  280.401 6.7285  -4.009796      9.587765  
1 1 1 -7  31  10 f 200.644 3.8638  21813.04   839.674  21844.09   1187.79  21782.02   1187.17  200.734 5.4632  200.449 5.4681  0.2855988      7.729610  
1 1 1 -7  31  11 o 203.089 5.5596  22364.61   1222.93  20693.94   1731.39  24027.96   1727.59  195.213 8.1887  210.393 7.5812  -15.17941      11.15929  
1 1 1 -7  31  12 o 67.527  2.8484  2470.39    208.327  2714.47    297.189  2234.57    292.113  70.665  3.8980  64.069  4.2334  6.596596       5.754642  
1 1 1 -7  31  13 o 135.489 3.1025  9946.53    455.292  10127.51   649.870  9772.08    638.053  136.681 4.3898  134.261 4.3877  2.419815       6.206645  
1 1 1 -7  31  14 o 666.008 11.064  241985.80  7981.39  238896.70  11287.48 245074.80  11287.29 659.236 15.808  667.832 15.605  -8.596619      22.21275  
1 1 1 -7  31  15 o 50.668  3.3341  1397.33    181.949  1174.90    260.123  1610.41    254.595  46.235  5.2897  54.322  4.3640  -8.087769      6.857478  
1 1 1 -7  31  16 o 324.809 5.6807  57271.35   1998.46  57397.77   2827.11  57145.08   2825.40  324.779 8.0368  324.060 8.0498  0.7182007      11.37497  
1 1 1 -7  31  17 o 96.238  2.8399  5019.02    296.024  5669.09    523.961  4714.24    358.770  102.221 4.7325  93.253  3.5521  8.968117       5.917236  
1 1 1 -7  31  18 o 221.514 4.4040  26620.03   1056.63  25373.97   2703.57  26844.68   1147.93  214.826 11.663  222.413 4.7653  -7.587357      12.59897  
1 1 1 -7  31  19 o 151.434 3.4167  12434.42   560.400  11590.75   1257.42  12643.53   626.008  145.585 8.0051  152.680 3.7855  -7.094940      8.855018  
1 1 1 -7  31  20 o 101.930 2.9004  5632.51    320.210  5740.56    580.033  5585.15    384.033  102.648 5.2345  101.476 3.4941  1.171707       6.293577  
1 1 1 -7  31  21 o 97.713  3.0033  5178.04    317.847  4331.25    624.269  5474.37    369.298  88.896  6.5294  100.450 3.3944  -11.55440      7.358951  
1 1 1 -7  31  22 o 77.237  3.0781  3237.22    257.503  3955.52    504.675  2984.40    299.410  85.013  5.5106  74.030  3.7463  10.98315       6.663493  
1 1 1 -7  31  23 o 50.871  2.2721  1403.55    125.187  1487.92    380.460  1393.30    132.568  51.602  6.9869  50.680  2.4151  0.9224205      7.392550  
1 1 1 -7  31  24 o 161.671 3.4541  14221.54   604.840  14182.42   1206.90  14234.67   698.947  160.307 6.9510  161.618 3.9929  -1.311646      8.016200  
1 1 1 -7  31  25 f 90.178  3.2928  4427.55    321.618  3941.34    646.350  4587.55    370.779  83.964  7.1762  91.723  3.7322  -7.758812      8.088708  
1 1 1 -7  31  26 o 31.064  6.4933  554.799    211.436  46.761     433.630  713.258    242.176  23.188  9.8643  35.303  6.5756  -12.11439      11.85507  
1 1 1 -7  31  27 o 68.892  3.5041  2599.97    260.603  2873.65    543.173  2518.14    297.021  71.205  7.1391  67.660  4.0720  3.545166       8.218804  
1 1 1 -7  31  28 o 64.107  2.6502  2239.81    184.014  2502.82    534.027  2204.38    196.018  65.899  7.6226  63.567  2.8470  2.332329       8.136927  
1 1 1 -7  31  29 o 6.9778  2.9772  -0.6488    39.712   13.893     40.325   -468.0837  228.622  7.7053  3.1167  10.986  5.4117  -3.280368      6.245031  
1 1 1 -7  31  30 o 31.812  6.5542  597.227    218.312  819.507    464.405  534.172    247.346  35.696  10.960  29.737  7.6391  5.959026       13.35919  
1 1 1 -7  31  31 o 20.615  2.6384  236.571    57.560   1170.73    472.074  222.473    57.993   41.997  10.426  19.957  2.7565  22.03960       10.78469  
1 1 1 -7  31  32 o 32.086  1.3943  560.268    48.457   571.206    49.326   258.186    259.215  32.396  1.4058  21.547  8.1328  10.84917       8.253381  
1 1 1 -7  31  33 o 23.675  9.3034  339.250    349.078  0.0000     0.0000   339.250    349.078  ?       ?       23.675  9.3034  0.000000       9.303410  
1 1 1 -7  31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  32  1  o 242.781 8.8592  31965.43   2329.59  31965.43   2329.59  0.0000     0.0000   242.781 8.8592  ?       ?       0.000000       8.859203  
1 1 1 -7  32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  32  3  o 689.687 13.315  258442.80  9946.16  245191.70  12181.99 284938.91  17225.91 671.133 16.759  722.134 22.024  -51.00122      27.67497  
1 1 1 -7  32  4  o 262.518 5.6632  37344.52   1610.25  35552.16   1972.79  40922.27   2787.23  256.095 7.1123  274.659 9.3693  -18.56342      11.76302  
1 1 1 -7  32  5  o 641.946 12.368  223869.20  8599.42  219645.20  10532.45 232315.59  14893.62 635.335 15.306  652.007 21.090  -16.67230      26.05875  
1 1 1 -7  32  6  o 155.121 3.3767  13034.46   567.322  12448.78   770.390  13728.39   838.569  151.578 4.6925  159.175 4.8640  -7.596954      6.758552  
1 1 1 -7  32  7  o 275.115 4.9629  41014.35   1478.84  41278.92   2090.24  40749.19   2092.56  275.917 6.9944  274.138 7.0475  1.778687       9.929190  
1 1 1 -7  32  8  o 332.094 5.6620  59779.46   2036.57  57451.09   2879.02  62111.46   2881.26  325.404 8.1687  338.368 7.8618  -12.96420      11.33735  
1 1 1 -7  32  9  o 327.307 5.4887  58071.87   1945.78  55621.83   2750.67  60525.76   2752.83  320.161 7.9323  334.003 7.6095  -13.84210      10.99212  
1 1 1 -7  32  10 o 73.940  2.7321  2961.57    218.798  3152.17    317.424  2789.05    302.005  76.174  3.8600  71.638  3.9070  4.536629       5.492182  
1 1 1 -7  32  11 o 167.831 4.0152  15264.51   729.882  15290.15   895.727  15213.82   1259.13  167.942 4.9243  167.437 6.9430  0.5055389      8.512009  
1 1 1 -7  32  12 o 166.915 3.4646  15096.88   626.343  14214.38   885.815  15979.25   885.750  161.909 5.0513  171.678 4.7635  -9.769302      6.943075  
1 1 1 -7  32  13 o 106.569 2.8786  6153.14    332.259  6057.76    472.156  6246.70    467.646  105.714 4.1237  107.353 4.0219  -1.638390      5.760243  
1 1 1 -7  32  14 o 422.896 7.1957  97163.76   3295.94  93796.46   4661.05  100531.40  4661.27  414.785 10.375  429.515 10.020  -14.72964      14.42347  
1 1 1 -7  32  15 o 150.676 3.2856  12304.22   536.206  11232.51   758.939  13372.40   757.683  143.901 4.8694  157.032 4.4548  -13.13091      6.599712  
1 1 1 -7  32  16 o 63.450  3.0745  2181.77    211.289  2115.52    302.827  2244.61    294.944  62.290  4.5193  64.195  4.2663  -1.904724      6.214911  
1 1 1 -7  32  17 o 44.549  3.6908  1083.34    176.479  1287.68    342.241  1009.33    205.976  48.210  6.7385  42.901  4.4998  5.308556       8.102794  
1 1 1 -7  32  18 o 91.812  2.9862  4568.77    296.956  4906.37    579.586  4448.60    345.792  94.873  5.6662  90.582  3.5246  4.291389       6.672982  
1 1 1 -7  32  19 o 264.249 4.7858  37908.98   1369.73  38434.23   2737.33  37733.53   1582.04  265.103 9.5333  263.526 5.5428  1.576813       11.02750  
1 1 1 -7  32  20 o 143.030 3.2629  11094.23   505.470  11858.52   1008.03  10837.50   584.229  147.593 6.3058  141.329 3.8166  6.264709       7.370846  
1 1 1 -7  32  21 o 123.497 3.1156  8272.77    416.738  8661.42    827.358  8140.65    482.403  126.082 6.0585  122.471 3.6367  3.611549       7.066227  
1 1 1 -7  32  22 o 96.896  2.8413  5093.83    298.194  4757.12    520.177  5258.64    363.927  93.303  5.1675  98.412  3.4143  -5.108665      6.193599  
1 1 1 -7  32  23 o 29.861  5.3574  501.613    166.907  805.401    319.847  387.932    195.660  37.493  8.1119  26.104  6.8384  11.38922       10.60977  
1 1 1 -7  32  24 o 32.474  1.0838  571.359    38.119   -95.0311   306.433  581.833    38.418   17.907  7.9409  32.770  1.0824  -14.86337      8.014323  
1 1 1 -7  32  25 o 123.631 3.2468  8321.46    434.767  9653.70    872.091  7880.83    501.537  132.283 6.0868  120.184 3.8529  12.09928       7.203740  
1 1 1 -7  32  26 o 37.000  5.3721  769.524    208.993  422.244    444.948  867.829    236.731  29.223  10.726  39.242  5.7395  -10.01898      12.16524  
1 1 1 -7  32  27 o 36.332  2.1052  719.605    82.488   698.617    87.846   876.082    239.859  35.775  2.2790  39.336  5.8042  -3.561062      6.235541  
1 1 1 -7  32  28 o 58.206  3.8821  1868.29    243.334  1154.19    510.135  2078.63    276.861  43.051  10.923  61.319  4.1938  -18.26736      11.70024  
1 1 1 -7  32  29 o 28.017  1.1428  425.731    34.679   453.069    50.240   400.849    47.929   28.837  1.6150  27.116  1.6397  1.720911       2.301502  
1 1 1 -7  32  30 o 20.052  7.3276  200.540    207.324  859.104    443.569  16.452     234.517  36.556  10.591  16.800  7.2030  19.75630       12.80821  
1 1 1 -7  32  31 o 51.278  4.4633  1484.76    245.418  1367.57    521.176  1518.15    278.192  45.026  10.821  51.568  5.0454  -6.542210      11.93956  
1 1 1 -7  32  32 o 21.800  1.4487  259.886    34.012   125.781    469.724  260.593    34.101   22.534  9.9200  21.829  1.4506  0.7053280      10.02551  
1 1 1 -7  32  33 o 29.045  9.5911  605.762    350.544  0.0000     0.0000   605.762    350.544  ?       ?       29.045  9.5911  0.000000       9.591056  
1 1 1 -7  32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  33  1  o 640.954 21.329  224375.30  14807.17 224375.30  14807.17 0.0000     0.0000   640.954 21.329  ?       ?       0.000000       21.32921  
1 1 1 -7  33  2  o 618.063 14.637  207712.91  9798.21  207712.91  9798.21  0.0000     0.0000   618.063 14.637  ?       ?       0.000000       14.63671  
1 1 1 -7  33  3  o 636.763 13.582  220368.20  9367.25  223231.30  12242.59 216325.09  14548.42 640.097 17.659  629.245 21.346  10.85242       27.70377  
1 1 1 -7  33  4  o 508.143 9.8697  140111.41  5432.02  138912.70  6653.42  142507.70  9406.92  505.707 12.147  511.477 16.981  -5.770691      20.87803  
1 1 1 -7  33  5  o 543.795 8.6815  160408.20  5113.30  158136.00  7230.60  162681.20  7232.00  539.473 12.375  547.196 12.202  -7.723267      17.37907  
1 1 1 -7  33  6  o 141.292 3.0968  10813.77   473.914  10417.83   668.752  11213.19   671.688  138.665 4.4528  143.863 4.3107  -5.198013      6.197532  
1 1 1 -7  33  7  o 310.432 5.7419  52234.05   1930.59  52571.13   2542.42  51774.97   2967.02  311.333 7.5397  308.877 8.8688  2.455994       11.64055  
1 1 1 -7  33  8  o 418.033 6.8267  94768.16   3090.96  93225.63   4370.39  96311.95   4372.18  414.319 9.7390  421.140 9.5852  -6.820953      13.66470  
1 1 1 -7  33  9  o 315.000 5.4053  53788.55   1844.16  53740.33   2607.24  53836.82   2608.84  314.704 7.6491  314.986 7.6469  -0.2825623     10.81590  
1 1 1 -7  33  10 o 174.589 3.9866  16517.44   753.865  18900.15   1313.01  15345.71   920.753  186.662 6.4944  168.251 5.0526  18.41100       8.228390  
1 1 1 -7  33  11 o 170.104 4.0286  15681.37   742.233  15298.01   909.338  16446.60   1284.76  167.978 4.9981  174.086 6.8138  -6.107849      8.450330  
1 1 1 -7  33  12 o 95.238  2.6902  4913.83    277.504  4893.38    383.332  4936.36    402.250  95.024  3.7246  95.437  3.8914  -0.4133377     5.386605  
1 1 1 -7  33  13 o 136.114 3.1242  10038.90   460.581  10013.87   652.719  10063.72   650.008  135.906 4.4342  136.245 4.4048  -0.3388672     6.250159  
1 1 1 -7  33  14 o 135.790 3.1391  9991.87    461.688  10548.76   654.813  9441.35    651.055  139.483 4.3344  131.950 4.5555  7.532654       6.288047  
1 1 1 -7  33  15 o 84.549  2.8858  3873.59    264.273  3796.18    375.579  3949.51    371.926  83.674  4.1442  85.350  4.0233  -1.676125      5.775916  
1 1 1 -7  33  16 o 215.578 4.4115  25205.63   1030.06  25146.70   1369.05  25282.51   1563.73  215.202 5.8736  215.697 6.6934  -0.4952850     8.905097  
1 1 1 -7  33  17 o 286.212 5.8917  44491.86   1826.43  44460.70   3161.26  44507.48   2237.69  285.279 10.231  286.054 7.2224  -0.7754822     12.52348  
1 1 1 -7  33  18 o 218.389 4.4052  25876.81   1041.99  25485.75   1959.53  26030.98   1230.35  216.208 8.3678  218.960 5.1880  -2.751694      9.845535  
1 1 1 -7  33  19 o 254.762 4.6488  35232.50   1282.76  34972.30   2563.15  35319.45   1481.65  252.904 9.3572  254.976 5.3651  -2.071411      10.78619  
1 1 1 -7  33  20 o 105.411 3.0091  6024.87    343.558  6133.70    681.547  5987.79    397.796  106.005 5.9603  105.064 3.4957  0.9403534      6.909776  
1 1 1 -7  33  21 o 150.390 3.3289  12272.03   542.240  12157.95   1080.94  12310.39   626.811  149.252 6.6867  150.576 3.8433  -1.323853      7.712503  
1 1 1 -7  33  22 o 93.314  2.9665  4725.44    299.824  4110.60    590.749  4938.77    347.972  86.483  6.3511  95.369  3.3688  -8.885101      7.189222  
1 1 1 -7  33  23 o 115.481 3.0410  7243.65    380.367  6534.06    752.148  7487.47    440.900  108.944 6.4024  117.356 3.4687  -8.412079      7.281632  
1 1 1 -7  33  24 o 29.999  1.2735  487.697    41.380   498.606    42.411   271.565    188.776  30.332  1.2909  22.273  7.0123  8.059505       7.130089  
1 1 1 -7  33  25 o 156.352 3.6338  13328.80   615.361  13591.17   1196.28  13234.40   717.577  156.422 7.0610  155.601 4.2578  0.8212280      8.245389  
1 1 1 -7  33  26 o 46.752  4.3768  1208.37    219.046  1451.27    464.229  1138.80    248.442  49.855  8.9248  45.190  5.1688  4.665092       10.31350  
1 1 1 -7  33  27 o 12.207  5.7058  -174.6469  187.191  -239.5138  404.465  -156.9657  211.167  18.955  8.6917  13.458  6.2107  5.497122       10.68259  
1 1 1 -7  33  28 o 29.638  1.7885  478.887    57.144   553.083    445.460  477.646    57.620   31.081  10.807  29.598  1.8061  1.483547       10.95638  
1 1 1 -7  33  29 o 58.470  3.9179  1892.48    246.681  2408.91    520.022  1742.53    280.215  64.200  7.6279  55.838  4.6764  8.362030       8.947229  
1 1 1 -7  33  30 o 44.186  1.7423  1061.74    83.384   1197.48    121.776  941.916    114.413  46.776  2.4118  41.441  2.5616  5.334866       3.518322  
1 1 1 -7  33  31 o 17.671  6.8703  133.908    188.751  -205.5173  462.321  201.801    206.768  19.790  9.1526  19.785  7.3040  0.4226685E-02  11.70979  
1 1 1 -7  33  32 f 26.436  7.7249  452.640    235.083  -323.1328  481.373  695.604    269.392  18.600  8.8319  32.812  7.7107  -14.21190      11.72419  
1 1 1 -7  33  33 o 41.390  12.841  1498.41    635.624  0.0000     0.0000   1498.41    635.624  ?       ?       41.390  12.841  0.000000       12.84066  
1 1 1 -7  33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  34  1  o 651.308 21.678  231862.50  15292.28 231862.50  15292.28 0.0000     0.0000   651.308 21.678  ?       ?       0.000000       21.67781  
1 1 1 -7  34  2  o 646.911 21.537  228745.30  15090.05 228745.30  15090.05 0.0000     0.0000   646.911 21.537  ?       ?       0.000000       21.53653  
1 1 1 -7  34  3  o 648.996 13.338  228940.59  9375.52  231957.91  10296.75 214305.80  22676.96 653.029 14.558  620.880 33.849  32.14948       36.84704  
1 1 1 -7  34  4  o 359.353 6.2260  69992.24   2423.24  69992.58   3426.58  69991.90   3427.38  359.202 8.8075  359.200 8.8096  0.1861572E-02  12.45718  
1 1 1 -7  34  5  o 128.641 3.0508  8963.86    425.072  9186.45    600.728  8740.66    601.557  130.215 4.2594  127.015 4.3727  3.200233       6.104347  
1 1 1 -7  34  6  o 264.165 4.5675  37811.41   1306.83  36054.15   1846.79  39573.83   1849.49  257.878 6.6120  270.185 6.3201  -12.30731      9.146702  
1 1 1 -7  34  7  o 130.084 3.0105  9166.38    424.157  9002.01    597.999  9332.80    601.716  128.895 4.2834  131.243 4.2330  -2.347687      6.022127  
1 1 1 -7  34  8  o 148.728 3.0726  11982.66   494.954  11912.63   697.904  12053.53   702.056  148.270 4.3458  149.145 4.3460  -0.8742218     6.146070  
1 1 1 -7  34  9  o 148.761 3.0772  11988.47   495.811  11706.82   699.132  12273.46   703.253  146.977 4.3918  150.494 4.3144  -3.516861      6.156456  
1 1 1 -7  34  10 o 215.699 4.7146  25219.31   1101.45  24399.94   1908.78  25628.35   1348.65  211.961 8.3144  217.393 5.7277  -5.432449      10.09630  
1 1 1 -7  34  11 o 569.980 10.958  176933.59  6765.03  173390.20  8284.78  184024.00  11719.24 563.397 13.577  578.180 18.714  -14.78326      23.12016  
1 1 1 -7  34  12 o 309.747 5.4515  52038.86   1828.91  52241.01   2586.60  51836.75   2586.33  310.108 7.7010  308.902 7.7302  1.205841       10.91153  
1 1 1 -7  34  13 o 305.998 5.3647  50793.41   1778.00  50755.98   2514.90  50830.80   2514.05  305.627 7.5973  305.853 7.5891  -0.2262878     10.73842  
1 1 1 -7  34  14 o 392.577 6.6614  83703.12   2832.46  80184.34   4005.75  87221.71   4005.64  383.633 9.6405  400.211 9.2409  -16.57837      13.35410  
1 1 1 -7  34  15 o 200.081 3.8893  21703.13   842.841  20096.36   1192.00  23309.68   1191.92  192.412 5.7197  207.258 5.3096  -14.84612      7.804316  
1 1 1 -7  34  16 o 218.195 4.3540  25820.95   1028.98  25353.95   1562.02  26178.96   1367.67  215.997 6.6768  219.581 5.7506  -3.584579      8.811896  
1 1 1 -7  34  17 o 258.543 4.6924  36268.41   1314.00  35646.07   1859.52  36889.09   1857.04  256.063 6.7048  260.508 6.5816  -4.444611      9.395256  
1 1 1 -7  34  18 o 177.634 3.9170  17113.95   753.618  15901.11   1709.12  17406.67   839.651  170.380 9.2967  179.117 4.3281  -8.736954      10.25480  
1 1 1 -7  34  19 o 258.342 4.7015  36234.36   1315.53  35404.98   2628.49  36511.53   1519.54  254.376 9.5402  259.223 5.4121  -4.846375      10.96846  
1 1 1 -7  34  20 o 180.011 3.8066  17584.31   742.168  17733.97   1411.26  17527.10   872.573  180.298 7.2268  179.647 4.4845  0.6509247      8.505087  
1 1 1 -7  34  21 o 106.467 3.0044  6148.79    346.450  7445.74    688.901  5709.74    400.824  116.939 5.4391  102.558 3.6084  14.38081       6.527201  
1 1 1 -7  34  22 o 91.819  2.9963  4575.91    297.983  4161.48    581.925  4723.19    346.917  87.027  6.2146  93.252  3.4348  -6.225632      7.100595  
1 1 1 -7  34  23 o 110.664 2.9690  6651.83    355.863  6538.76    683.338  6693.91    416.850  109.115 5.8029  110.953 3.4687  -1.838364      6.760591  
1 1 1 -7  34  24 o 57.266  3.4725  1791.75    214.362  1789.45    487.890  1792.29    238.629  56.105  8.2774  57.213  3.8737  -1.108078      9.138998  
1 1 1 -7  34  25 o 124.616 3.2504  8456.92    438.714  8371.04    881.086  8485.23    505.885  122.731 6.6530  124.711 3.7452  -1.980385      7.634758  
1 1 1 -7  34  26 o 35.301  1.2402  675.533    47.419   695.470    48.418   206.903    234.740  35.818  1.2481  21.164  7.7875  14.65338       7.886831  
1 1 1 -7  34  27 o 27.242  7.0660  433.034    210.259  571.061    436.165  391.248    239.985  31.647  10.703  26.065  7.8529  5.582468       13.27480  
1 1 1 -7  34  28 o 56.598  2.4856  1745.29    152.372  1725.81    183.545  1788.47    273.300  56.120  3.0309  56.744  4.4833  -0.6243591     5.411719  
1 1 1 -7  34  29 o 40.691  5.1456  937.975    221.712  795.483    474.509  977.771    250.769  35.447  11.111  41.336  5.7574  -5.889774      12.51371  
1 1 1 -7  34  30 o 29.870  1.5788  486.242    50.898   0.0000     0.0000   486.242    50.898   ?       ?       29.870  1.5788  0.000000       1.578823  
1 1 1 -7  34  31 o 47.419  2.4413  1235.24    124.962  1520.13    517.365  1217.59    128.774  47.608  10.330  47.052  2.5362  0.5559044      10.63703  
1 1 1 -7  34  32 o 16.069  7.0882  -3.9739    240.993  0.0000     0.0000   -3.9739    240.993  ?       ?       16.069  7.0882  0.000000       7.088212  
1 1 1 -7  34  33 o 29.958  12.776  746.896    730.714  0.0000     0.0000   746.896    730.714  ?       ?       29.958  12.776  0.000000       12.77594  
1 1 1 -7  34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  35  1  o 325.761 9.4658  57578.78   3339.84  57058.60   4032.71  58714.66   5959.18  324.141 11.487  327.863 16.838  -3.721863      20.38288  
1 1 1 -7  35  2  o 622.244 14.566  210639.50  9816.79  201034.70  13882.23 220246.41  13883.86 606.369 21.137  634.947 20.188  -28.57800      29.22948  
1 1 1 -7  35  3  o 655.305 18.220  234277.20  12932.18 235992.59  15365.50 230110.70  23946.58 656.722 21.602  642.508 34.538  14.21429       40.73683  
1 1 1 -7  35  4  o 291.166 6.5699  45958.06   2071.89  45886.13   2681.70  46064.57   3263.38  290.837 8.5132  291.284 10.344  -0.4467468     13.39658  
1 1 1 -7  35  5  o 480.741 8.6632  125396.90  4510.84  126151.60  5902.83  124337.50  6993.57  481.864 11.310  478.058 13.507  3.805969       17.61671  
1 1 1 -7  35  6  o 470.137 7.8813  119902.40  4013.22  127147.40  5675.48  112657.00  5675.62  483.768 10.832  455.273 11.510  28.49426       15.80513  
1 1 1 -7  35  7  o 428.318 7.0505  99499.49   3270.82  97659.67   4624.62  101340.90  4626.65  424.010 10.070  431.951 9.8892  -7.940979      14.11388  
1 1 1 -7  35  8  o 484.551 8.1555  127435.00  4280.14  126920.90  6052.31  127949.30  6053.75  483.028 11.569  484.989 11.525  -1.961182      16.32929  
1 1 1 -7  35  9  o 227.773 4.1816  28114.90   1031.62  27596.88   1457.79  28634.55   1460.08  225.587 5.9664  229.795 5.8663  -4.207214      8.367288  
1 1 1 -7  35  10 o 417.077 8.1308  94476.23   3672.99  97790.63   6363.83  92820.61   4497.77  423.166 13.885  413.093 10.053  10.07367       17.14177  
1 1 1 -7  35  11 o 219.595 4.7181  26143.15   1122.16  24751.13   1374.03  28931.26   1944.59  213.601 5.9391  230.792 7.7792  -17.19148      9.787222  
1 1 1 -7  35  12 o 235.653 4.3650  30104.52   1114.10  29032.49   1575.61  31176.45   1575.54  231.291 6.2895  239.697 6.0687  -8.405563      8.740000  
1 1 1 -7  35  13 o 206.729 4.1984  23168.95   940.060  24287.08   1426.61  22310.86   1249.76  211.523 6.2270  202.774 5.6904  8.749008       8.435433  
1 1 1 -7  35  14 o 116.753 2.9412  7386.31    371.937  8410.71    530.787  6398.07    521.337  124.558 3.9344  108.623 4.4313  15.93555       5.925838  
1 1 1 -7  35  15 o 382.143 6.5402  79331.05   2707.01  79390.81   3828.88  79271.34   3827.71  381.692 9.2617  381.403 9.2658  0.2883301      13.10092  
1 1 1 -7  35  16 o 351.724 6.1034  67193.40   2325.10  65901.94   3288.53  68484.33   3287.84  347.791 8.7300  354.580 8.5610  -6.789551      12.22718  
1 1 1 -7  35  17 o 237.128 4.3900  30503.06   1127.51  31232.31   1598.72  29781.41   1590.38  239.749 6.1567  234.099 6.2723  5.649780       8.789024  
1 1 1 -7  35  18 o 207.179 3.9950  23283.23   896.456  23320.10   1789.92  23270.88   1035.72  206.837 7.9898  207.068 4.6180  -0.2301941     9.228357  
1 1 1 -7  35  19 o 85.630  2.9836  3975.13    276.716  3817.47    545.588  4029.73    321.078  83.559  6.0699  86.201  3.4390  -2.642433      6.976366  
1 1 1 -7  35  20 o 146.980 3.5593  11721.00   566.621  11367.25   1058.36  11863.13   670.864  144.393 6.7673  147.815 4.1903  -3.421967      7.959630  
1 1 1 -7  35  21 o 233.882 4.3664  29733.02   1106.10  29554.08   2209.73  29792.85   1277.69  231.874 8.7987  233.974 5.0418  -2.100479      10.14084  
1 1 1 -7  35  22 o 79.024  2.6254  3387.98    224.709  3219.74    503.466  3429.83    251.108  76.494  6.1283  79.494  2.9165  -3.000336      6.786839  
1 1 1 -7  35  23 o 82.795  2.9823  3724.02    267.437  3072.92    520.538  3957.52    311.725  74.499  6.5166  85.314  3.3735  -10.81476      7.338029  
1 1 1 -7  35  24 o 29.514  5.8565  495.250    180.605  304.088    422.289  538.042    199.800  27.057  10.340  30.722  6.2179  -3.665031      12.06555  
1 1 1 -7  35  25 o 25.206  6.9440  364.187    195.628  317.451    421.186  377.043    220.902  27.132  10.337  25.716  7.4808  1.416264       12.75956  
1 1 1 -7  35  26 o 64.281  3.5923  2263.97    249.110  2091.99    521.081  2314.92    283.619  60.338  8.1847  64.901  4.0551  -4.562893      9.134129  
1 1 1 -7  35  27 o 11.739  2.0861  77.122     25.552   213.393    421.557  76.619     25.599   25.070  10.099  11.698  2.0975  13.37199       10.31491  
1 1 1 -7  35  28 o 74.963  2.7745  3066.66    225.266  2977.36    319.378  3155.07    317.775  73.448  4.0301  75.662  3.8908  -2.214050      5.601835  
1 1 1 -7  35  29 o 21.474  7.3519  251.079    205.826  719.174    445.741  124.220    232.046  33.894  10.787  18.884  7.5328  15.00987       13.15653  
1 1 1 -7  35  30 o 42.541  2.5229  992.595    115.728  898.724    128.602  1392.25    265.355  40.374  2.9615  49.575  5.0107  -9.200806      5.820433  
1 1 1 -7  35  31 o 11.219  5.4323  -300.1287  203.135  -1011.4630 448.139  -116.1757  227.892  14.260  7.1180  14.252  6.5312  0.8193970E-02  9.660332  
1 1 1 -7  35  32 o 19.804  7.6394  202.914    231.956  0.0000     0.0000   202.914    231.956  ?       ?       19.804  7.6394  0.000000       7.639423  
1 1 1 -7  35  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  35  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  36  1  o 152.196 3.0604  12547.04   504.485  12644.59   714.098  12449.85   712.802  152.770 4.3157  151.589 4.3414  1.181351       6.121501  
1 1 1 -7  36  2  o 263.787 6.7279  37722.88   1922.21  40937.36   2718.53  34508.97   2718.29  274.675 9.1379  252.143 9.9536  22.53203       13.51204  
1 1 1 -7  36  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  36  4  o 496.922 13.462  134340.80  7245.23  140729.41  8645.23  119266.20  13279.93 508.181 15.707  464.450 26.509  43.73050       30.81273  
1 1 1 -7  36  5  o 163.016 3.9334  14397.30   694.486  14469.78   848.094  14249.76   1209.98  163.409 4.7918  162.108 6.8913  1.300735       8.393527  
1 1 1 -7  36  6  o 266.639 4.7294  38527.48   1365.84  36840.36   1930.69  40217.73   1932.48  260.642 6.8391  272.343 6.5513  -11.70068      9.470624  
1 1 1 -7  36  7  o 413.170 7.0140  92593.70   3138.81  92818.13   4438.27  92369.13   4439.62  413.346 9.9136  412.342 9.9407  1.004517       14.03911  
1 1 1 -7  36  8  o 258.270 4.4214  36148.75   1236.80  35630.39   1747.62  36668.86   1750.59  256.319 6.2950  260.033 6.2157  -3.713104      8.846535  
1 1 1 -7  36  9  o 171.868 3.3668  16003.99   626.739  16219.58   884.989  15787.08   887.703  172.983 4.7235  170.658 4.8025  2.324524       6.736154  
1 1 1 -7  36  10 o 222.415 4.8258  26818.33   1162.54  25570.94   2010.16  27445.20   1425.02  216.933 8.5553  224.943 5.8490  -8.010071      10.36356  
1 1 1 -7  36  11 o 186.323 4.2656  18817.89   860.835  19034.91   1054.57  18384.52   1490.24  187.352 5.1969  183.990 7.4781  3.362686       9.106622  
1 1 1 -7  36  12 o 331.120 5.7759  59486.27   2071.44  59774.37   2929.37  59198.14   2929.54  331.615 8.1559  330.007 8.1961  1.608276       11.56260  
1 1 1 -7  36  13 o 349.936 6.0340  66466.29   2286.99  65385.06   3235.21  67546.27   3233.36  346.670 8.6162  352.380 8.4717  -5.709778      12.08343  
1 1 1 -7  36  14 o 317.506 5.5551  54708.89   1910.34  53700.11   2702.19  55716.86   2701.07  314.220 7.9398  320.091 7.7910  -5.871521      11.12387  
1 1 1 -7  36  15 o 171.823 3.5573  16003.37   662.024  14966.51   938.705  17029.41   933.802  166.074 5.2186  177.174 4.8661  -11.09929      7.135370  
1 1 1 -7  36  16 o 228.135 4.2971  28227.39   1061.79  27757.78   1502.94  28695.33   1500.27  226.054 6.1385  229.852 6.0263  -3.798569      8.602132  
1 1 1 -7  36  17 o 149.150 3.4133  12059.93   551.409  11478.07   818.769  12542.87   745.930  145.406 5.1989  152.046 4.5295  -6.639816      6.895280  
1 1 1 -7  36  18 o 77.893  3.0150  3288.92    254.368  3189.30    506.842  3322.46    294.086  76.341  6.1828  78.278  3.4687  -1.936119      7.089387  
1 1 1 -7  36  19 o 106.259 3.0038  6121.50    345.709  6333.95    691.367  6050.67    399.201  107.749 5.9472  105.622 3.4895  2.127060       6.895346  
1 1 1 -7  36  20 f 199.891 3.9010  21689.62   844.589  20022.05   1685.24  22248.95   976.009  191.301 8.1334  202.380 4.4526  -11.07919      9.272467  
1 1 1 -7  36  21 o 72.905  3.0483  2883.91    240.701  2869.74    474.031  2888.83    279.400  72.264  6.1137  72.943  3.5365  -0.6781006     7.062886  
1 1 1 -7  36  22 o 60.629  3.1968  2001.84    209.184  1409.30    411.642  2208.13    242.883  50.015  7.8580  63.647  3.5372  -13.63187      8.617410  
1 1 1 -7  36  23 o 91.307  2.9283  4529.28    289.595  4645.11    575.498  4490.00    335.116  91.861  5.8141  90.859  3.4053  1.002327       6.737983  
1 1 1 -7  36  24 f 91.200  2.7990  4520.77    276.484  5108.45    460.958  4190.54    345.541  96.688  4.4017  87.696  3.6379  8.991997       5.710435  
1 1 1 -7  36  25 o 90.640  3.1689  4474.31    311.098  4712.08    641.583  4401.21    355.714  91.986  6.4811  89.812  3.6567  2.173080       7.441532  
1 1 1 -7  36  26 o 67.611  2.6710  2487.64    195.594  3161.61    539.095  2385.47    209.896  74.992  6.7080  66.176  2.9284  8.816093       7.319352  
1 1 1 -7  36  27 o 131.347 3.2930  9427.57    468.465  9301.09    949.272  9468.29    538.623  128.398 6.8507  131.442 3.7834  -3.044250      7.826004  
1 1 1 -7  36  28 f 77.599  3.3933  3299.30    285.196  2364.01    589.560  3585.03    325.860  63.125  8.8676  80.794  3.7238  -17.66893      9.617703  
1 1 1 -7  36  29 o 46.380  4.8144  1209.57    238.327  1119.39    490.723  1237.41    272.640  41.830  10.767  46.661  5.5004  -4.830059      12.09103  
1 1 1 -7  36  30 o 41.527  5.1791  984.797    227.881  1072.85    484.986  959.849    258.154  40.283  10.866  40.619  6.0527  -0.3360062     12.43803  
1 1 1 -7  36  31 o 41.692  1.9393  949.023    87.573   661.280    493.207  958.390    88.986   30.989  11.305  41.893  1.9611  -10.90477      11.47408  
1 1 1 -7  36  32 o 37.405  7.5389  895.017    294.872  0.0000     0.0000   895.017    294.872  ?       ?       37.405  7.5389  0.000000       7.538867  
1 1 1 -7  36  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  36  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  37  1  o 311.058 5.4405  52437.55   1832.97  51952.39   2592.44  52922.54   2591.98  309.500 7.7335  312.381 7.6608  -2.880707      10.88558  
1 1 1 -7  37  2  o 317.711 5.7455  54709.79   1977.12  55061.78   2796.35  54357.95   2795.80  318.601 8.1035  316.555 8.1543  2.046082       11.49608  
1 1 1 -7  37  3  o 272.886 6.9083  40377.43   2041.84  39359.09   2886.55  41397.24   2888.64  269.248 9.8982  276.148 9.6579  -6.900055      13.82928  
1 1 1 -7  37  4  o 264.708 6.7566  37993.70   1937.17  39861.09   2738.83  36124.31   2740.30  270.983 9.3315  257.937 9.8088  13.04605       13.53842  
1 1 1 -7  37  5  o 508.835 12.040  140800.91  6635.59  138326.30  9383.06  143276.70  9385.23  503.251 17.214  512.251 16.916  -9.000702      24.13454  
1 1 1 -7  37  6  o 335.779 9.5710  61232.63   3480.83  62390.71   4197.61  58683.20   6228.10  338.733 11.441  327.140 17.643  11.59314       21.02763  
1 1 1 -7  37  7  o 403.140 6.8233  88154.72   2979.36  89115.10   4212.98  87193.91   4213.92  405.014 9.6039  400.610 9.7117  4.403839       13.65843  
1 1 1 -7  37  8  o 453.948 7.5914  111843.40  3732.47  109626.10  5277.61  114062.30  5279.41  448.910 10.854  457.943 10.644  -9.032410      15.20241  
1 1 1 -7  37  9  o 565.389 9.3324  173763.00  5714.92  174572.20  8081.61  172953.59  8082.63  565.652 13.191  563.003 13.255  2.648621       18.70004  
1 1 1 -7  37  10 o 76.512  3.2590  3171.91    270.075  3663.31    466.346  2923.92    331.284  82.023  5.2774  73.329  4.1885  8.693794       6.737528  
1 1 1 -7  37  11 o 300.017 5.2792  48816.12   1715.48  49052.77   2425.80  48579.37   2426.32  300.526 7.4525  299.068 7.4904  1.458130       10.56631  
1 1 1 -7  37  12 o 549.799 9.1205  164489.91  5431.18  162326.09  7680.43  166654.09  7681.25  544.816 13.016  552.101 12.845  -7.285217      18.28683  
1 1 1 -7  37  13 o 305.845 5.3760  50750.79   1780.88  51838.75   2520.01  49665.38   2517.07  308.833 7.5337  302.267 7.6884  6.565887       10.76418  
1 1 1 -7  37  14 o 152.792 3.3008  12652.38   546.255  13063.12   775.095  12247.05   769.974  155.197 4.6111  150.265 4.7309  4.931686       6.606349  
1 1 1 -7  37  15 o 239.947 4.4351  31225.92   1152.63  31974.42   1631.87  30480.71   1628.28  242.632 6.2096  236.882 6.3464  5.750519       8.878982  
1 1 1 -7  37  16 o 453.916 7.6861  112123.60  3778.76  112447.10  5344.68  111800.30  5343.27  453.470 10.882  452.152 10.911  1.317566       15.40968  
1 1 1 -7  37  17 o 130.555 3.2108  9239.45    454.020  8964.85    652.034  9497.91    632.571  128.530 4.6838  132.312 4.4141  -3.781235      6.435976  
1 1 1 -7  37  18 o 160.573 3.3761  13980.22   587.170  15432.40   1182.23  13504.71   676.508  168.433 6.4804  157.783 3.9586  10.64993       7.593857  
1 1 1 -7  37  19 o 178.046 3.6382  17196.74   701.593  16742.01   1404.70  17347.88   809.840  175.207 7.4022  178.777 4.1823  -3.570724      8.502036  
1 1 1 -7  37  20 o 92.781  3.0244  4668.84    303.930  4669.43    603.942  4668.64    351.712  92.383  6.0696  92.756  3.5009  -0.3730545     7.006852  
1 1 1 -7  37  21 o 35.266  4.6213  688.074    172.269  639.656    356.255  702.851    196.808  33.569  9.4163  35.539  5.2729  -1.969807      10.79210  
1 1 1 -7  37  22 o 160.749 3.4322  14042.34   597.572  14311.00   1198.59  13953.47   689.358  161.451 6.8543  160.146 3.9743  1.304565       7.923120  
1 1 1 -7  37  23 o 69.997  3.0512  2663.00    231.327  2047.62    471.979  2857.57    265.388  60.440  7.3620  72.480  3.3806  -12.03969      8.101056  
1 1 1 -7  37  24 o 39.729  4.4524  873.347    188.293  831.352    438.061  882.864    208.541  37.614  10.403  39.852  4.9371  -2.237888      11.51501  
1 1 1 -7  37  25 o 36.882  5.4973  765.084    212.891  254.550    438.344  922.680    243.542  26.349  10.403  40.520  5.7074  -14.17045      11.86550  
1 1 1 -7  37  26 o 83.216  3.2403  3777.80    292.056  3558.65    604.018  3844.67    333.652  79.390  7.0994  83.862  3.6733  -4.472092      7.993421  
1 1 1 -7  37  27 o 81.707  2.8046  3639.79    248.201  3742.68    373.663  3558.54    332.032  82.409  4.2003  80.563  3.8052  1.845901       5.667626  
1 1 1 -7  37  28 f 17.747  7.0979  101.207    206.591  -238.9512  430.752  202.825    235.436  19.453  8.9382  20.847  7.7744  -1.393764      11.84621  
1 1 1 -7  37  29 o 36.268  5.7163  756.667    217.115  1339.57    465.140  594.287    245.500  46.537  9.5483  31.523  7.3292  15.01394       12.03688  
1 1 1 -7  37  30 o 41.001  2.3229  920.947    102.730  1115.82    493.415  912.117    105.032  40.945  10.924  40.790  2.3878  0.1550217      11.18187  
1 1 1 -7  37  31 o 15.827  6.9948  -20.7201   235.802  3.3406     450.961  -29.7740   276.632  21.239  9.5115  16.894  7.5157  4.345127       12.12250  
1 1 1 -7  37  32 o 30.536  10.672  686.773    434.669  0.0000     0.0000   686.773    434.669  ?       ?       30.536  10.672  0.000000       10.67154  
1 1 1 -7  37  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  38  1  f 621.343 10.299  209663.59  6930.81  220372.41  9802.32  198957.70  9800.97  636.204 14.225  604.328 14.974  31.87549       20.65355  
1 1 1 -7  38  2  o 765.422 16.395  319571.50  13592.10 323481.50  17774.01 314064.59  21093.76 768.170 21.363  754.811 25.802  13.35870       33.49757  
1 1 1 -7  38  3  o 385.992 6.5840  80782.77   2752.58  78216.77   3892.49  83349.43   3892.99  379.570 9.4682  391.856 9.1725  -12.28583      13.18257  
1 1 1 -7  38  4  o 115.208 4.1093  7191.51    512.770  6923.06    721.770  7465.07    728.612  112.853 5.9257  117.352 5.7324  -4.499382      8.244642  
1 1 1 -7  38  5  o 244.667 6.3298  32458.28   1677.38  31915.75   2369.93  33002.88   2374.43  242.459 9.0246  246.563 8.8912  -4.103821      12.66873  
1 1 1 -7  38  6  o 435.240 10.429  102960.40  4916.33  106622.50  6952.24  99297.21   6953.23  442.164 14.517  426.593 15.049  15.57028       20.90945  
1 1 1 -7  38  7  o 98.074  3.9837  5211.92    423.167  5631.59    593.449  4777.80    603.578  101.778 5.4028  93.676  5.9801  8.101425       8.059235  
1 1 1 -7  38  8  o 169.511 3.4490  15568.47   633.231  15248.76   894.205  15890.07   896.849  167.719 4.9225  171.213 4.8363  -3.493469      6.900763  
1 1 1 -7  38  9  o 147.227 3.2124  11744.10   512.259  11907.10   724.361  11581.03   724.527  148.212 4.5123  146.166 4.5765  2.045410       6.426964  
1 1 1 -7  38  10 o 101.428 4.0420  5575.82    444.046  5241.70    624.437  5917.63    631.575  98.121  5.9031  104.301 5.6113  -6.180618      8.144561  
1 1 1 -7  38  11 f 254.697 4.6144  35171.08   1272.94  35547.23   1799.69  34794.49   1800.74  255.912 6.4929  253.181 6.5668  2.730621       9.234688  
1 1 1 -7  38  12 o 62.712  2.9378  2130.94    199.546  2175.19    284.520  2088.11    279.936  63.205  4.1797  61.920  4.1989  1.285267       5.924582  
1 1 1 -7  38  13 o 122.590 3.0186  8143.49    400.799  8011.29    568.378  8274.25    565.266  121.553 4.3172  123.535 4.2247  -1.981979      6.040356  
1 1 1 -7  38  14 o 203.353 3.9219  22419.00   863.818  22163.73   1222.80  22673.29   1220.45  202.079 5.5868  204.395 5.5129  -2.315704      7.848865  
1 1 1 -7  38  15 o 311.260 5.4376  52586.77   1833.17  53237.79   2593.72  51936.98   2591.26  312.832 7.6549  308.971 7.7433  3.861603       10.88834  
1 1 1 -7  38  16 o 146.605 3.2919  11650.31   522.719  11331.09   743.591  11962.16   734.958  144.511 4.7508  148.491 4.5697  -3.980179      6.591832  
1 1 1 -7  38  17 f 252.595 4.6202  34624.78   1264.02  36373.01   1789.80  32885.15   1785.39  258.650 6.3888  245.887 6.7039  12.76254       9.260618  
1 1 1 -7  38  18 o 184.143 4.2696  18400.28   851.565  17729.96   1480.93  18731.40   1040.86  180.369 7.5806  185.706 5.1748  -5.336258      9.178443  
1 1 1 -7  38  19 o 150.387 3.3242  12266.23   541.469  11801.26   1084.48  12420.64   624.939  147.161 6.8039  151.296 3.8137  -4.134872      7.799841  
1 1 1 -7  38  20 o 31.983  1.5963  554.217    55.296   558.951    57.733   501.663    192.353  32.076  1.6676  29.796  6.1636  2.279404       6.385222  
1 1 1 -7  38  21 o 67.538  3.1079  2475.76    227.343  2336.43    463.180  2519.98    260.937  65.017  6.6719  68.023  3.5540  -3.005371      7.559438  
1 1 1 -7  38  22 o 95.975  2.9555  5001.94    307.227  5158.17    620.317  4951.16    353.649  96.888  5.9398  95.443  3.4210  1.445282       6.854556  
1 1 1 -7  38  23 o 23.214  1.6141  293.545    40.330   887.331    328.529  284.460    40.637   39.306  7.9893  22.847  1.6534  16.45911       8.158591  
1 1 1 -7  38  24 o 88.628  3.0740  4273.50    295.086  5209.56    619.957  3999.31    335.532  97.079  5.9245  85.662  3.6164  11.41695       6.941012  
1 1 1 -7  38  25 o 65.656  2.5866  2343.93    183.937  2312.20    515.862  2348.55    196.878  63.830  7.6119  65.702  2.7666  -1.871975      8.099081  
1 1 1 -7  38  26 o 35.405  1.6604  680.173    63.672   692.806    66.325   531.667    227.397  35.730  1.7139  30.217  7.0731  5.512695       7.277780  
1 1 1 -7  38  27 o 43.973  1.8764  1050.40    89.368   579.168    453.620  1069.43    91.155   31.769  10.913  44.368  1.8969  -12.59894      11.07661  
1 1 1 -7  38  28 o 29.079  6.7113  497.600    207.089  128.621    445.118  599.530    233.951  23.983  10.087  31.894  6.9674  -7.910229      12.25976  
1 1 1 -7  38  29 o 38.986  1.7019  826.104    71.863   849.253    75.171   580.307    244.942  39.524  1.7560  31.118  7.3793  8.406069       7.585381  
1 1 1 -7  38  30 o 71.358  3.8136  2830.83    293.682  2689.52    582.391  2879.02    340.088  66.509  8.2627  71.659  4.4031  -5.149872      9.362707  
1 1 1 -7  38  31 o 4.8364  2.3553  -70.4113   39.673   -65.2566   39.883   -555.2497  386.802  4.9640  2.4044  14.997  7.3144  -10.03269      7.699500  
1 1 1 -7  38  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  38  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  39  1  o 351.891 6.2741  67134.08   2391.30  67262.55   3382.22  67005.68   3381.39  352.031 8.8705  351.357 8.8854  0.6741028      12.55534  
1 1 1 -7  39  2  o 323.648 6.0777  56786.91   2130.50  55218.51   3279.84  57931.76   2802.19  318.903 9.4956  326.773 7.9174  -7.869995      12.36331  
1 1 1 -7  39  3  o 220.877 4.1788  26434.15   999.710  26474.31   1414.42  26394.06   1413.19  220.987 5.9094  220.652 5.9132  0.3353271      8.359809  
1 1 1 -7  39  4  o 444.171 7.4849  107027.30  3600.89  110027.80  5092.43  104026.70  5092.41  449.984 10.449  437.498 10.747  12.48633       14.98884  
1 1 1 -7  39  5  o 103.445 3.1612  5796.97    354.189  5801.23    627.902  5794.98    428.946  103.292 5.6337  103.419 3.8294  -0.1267624     6.812008  
1 1 1 -7  39  6  o 244.343 6.3509  32379.21   1680.77  33341.59   2375.04  31413.71   2378.88  247.779 8.8499  240.487 9.1330  7.292068       12.71735  
1 1 1 -7  39  7  o 152.976 4.6445  12683.98   769.541  12543.56   1084.88  12826.17   1091.74  152.062 6.5871  153.767 6.5552  -1.704681      9.293001  
1 1 1 -7  39  8  o 84.845  4.0144  3901.20    368.908  3658.63    512.126  4162.82    531.862  81.929  5.8089  87.433  5.6465  -5.503860      8.101020  
1 1 1 -7  39  9  o 203.243 4.5243  22391.98   995.954  22368.87   1218.21  22438.57   1729.55  203.089 5.5381  203.257 7.8563  -0.1672058     9.612084  
1 1 1 -7  39  10 o 169.780 4.0133  15623.25   737.999  15184.66   902.326  16509.44   1282.63  167.343 4.9784  174.395 6.7904  -7.052124      8.419842  
1 1 1 -7  39  11 o 131.706 3.1015  9399.06    442.438  9563.74    623.791  9232.35    627.629  132.820 4.3362  130.495 4.4406  2.324829       6.206514  
1 1 1 -7  39  12 o 130.808 3.1795  9272.15    450.468  8974.93    622.821  9598.20    652.319  128.655 4.4696  133.046 4.5268  -4.390152      6.361502  
1 1 1 -7  39  13 o 317.089 5.5478  54562.78   1905.34  54126.67   2694.52  54998.91   2694.60  315.487 7.8855  318.030 7.8227  -2.542328      11.10745  
1 1 1 -7  39  14 o 350.984 6.0666  66891.43   2306.24  70137.53   3262.31  63648.47   3260.73  358.965 8.3908  341.869 8.8061  17.09634       12.16362  
1 1 1 -7  39  15 o 284.717 5.0464  43988.08   1556.20  43893.84   2203.68  44081.84   2197.94  284.125 7.1609  284.738 7.1269  -0.6132507     10.10303  
1 1 1 -7  39  16 o 125.907 3.0869  8592.07    420.957  8333.59    600.557  8841.73    590.223  123.942 4.4737  127.674 4.2682  -3.732719      6.183141  
1 1 1 -7  39  17 o 110.645 3.0389  6635.94    364.181  6568.39    521.096  6700.43    509.170  110.026 4.3727  111.133 4.2301  -1.107178      6.083959  
1 1 1 -7  39  18 o 179.002 3.7805  17381.04   732.961  18103.99   992.173  16512.50   1087.50  182.572 5.0175  174.282 5.7611  8.290131       7.639721  
1 1 1 -7  39  19 o 145.820 3.3812  11533.98   534.023  11416.72   1184.98  11563.87   598.213  144.407 7.6030  145.979 3.7835  -1.571564      8.492392  
1 1 1 -7  39  20 o 93.580  2.9840  4750.21    302.450  5484.65    602.724  4503.03    349.661  100.198 5.5759  91.082  3.5444  9.115715       6.607076  
1 1 1 -7  39  21 o 121.779 3.1090  8050.27    410.068  7893.98    815.413  8103.18    474.425  119.991 6.2962  122.130 3.5865  -2.139534      7.246068  
1 1 1 -7  39  22 o 85.846  2.6891  4000.40    250.029  3942.33    411.992  4034.25    314.582  84.924  4.4951  86.150  3.3714  -1.225914      5.618898  
1 1 1 -7  39  23 o 91.571  2.7467  4555.42    272.419  4597.96    468.159  4533.65    334.970  91.595  4.7352  91.277  3.3882  0.3179092      5.822544  
1 1 1 -7  39  24 o 25.035  1.6212  341.280    43.723   340.589    44.555   359.273    227.321  25.006  1.6544  25.267  7.6497  -0.2604675     7.826543  
1 1 1 -7  39  25 o 13.347  2.2327  99.380     31.136   96.889     31.480   211.714    211.390  13.166  2.2908  20.811  7.4263  -7.645770      7.771621  
1 1 1 -7  39  26 o 54.453  3.9175  1631.97    229.501  1930.40    483.116  1545.00    260.807  57.928  7.9065  52.811  4.6057  5.117489       9.150182  
1 1 1 -7  39  27 o 39.088  1.6738  829.541    70.862   525.289    446.839  837.390    71.770   30.646  10.812  39.272  1.6873  -8.626310      10.94269  
1 1 1 -7  39  28 o 14.799  6.4606  -24.3284   195.598  -553.0579  420.689  121.493    220.930  16.555  7.9663  18.582  7.3696  -2.027086      10.85237  
1 1 1 -7  39  29 o 4.4088  2.0883  -31.9267   26.590   -423.1544  427.971  -30.4106   26.641   17.600  8.3484  4.4639  2.1071  13.13616       8.610177  
1 1 1 -7  39  30 o 38.721  6.2360  883.481    252.648  782.297    487.209  920.698    295.481  34.056  11.310  39.016  7.2595  -4.959743      13.43945  
1 1 1 -7  39  31 o 6.5779  2.6820  9.3346     30.138   9.4873     30.224   -17.3456   399.534  6.5942  2.6869  19.844  8.9153  -13.25014      9.311339  
1 1 1 -7  39  32 o 21.206  9.1907  137.077    389.893  0.0000     0.0000   137.077    389.893  ?       ?       21.206  9.1907  0.000000       9.190666  
1 1 1 -7  39  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  39  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  40  1  o 324.436 5.6786  57058.93   1995.45  58167.63   2822.52  55951.05   2821.48  327.418 7.9591  321.107 8.1125  6.311005       11.36489  
1 1 1 -7  40  2  f 418.754 7.6650  95135.93   3476.51  94367.76   4556.03  96206.62   5378.83  416.783 10.093  420.581 11.808  -3.798218      15.53337  
1 1 1 -7  40  3  o 259.494 5.0077  36495.78   1407.47  35777.41   2151.20  37033.46   1861.09  256.786 7.7346  261.324 6.5753  -4.537476      10.15182  
1 1 1 -7  40  4  o 100.179 2.7777  5436.31    301.397  5382.46    427.673  5489.44    424.821  99.668  3.9617  100.655 3.8967  -0.9863968     5.556973  
1 1 1 -7  40  5  o 292.487 5.5248  46379.42   1750.23  46690.68   2306.76  45957.13   2686.90  293.352 7.2601  290.935 8.5268  2.416748       11.19890  
1 1 1 -7  40  6  o 265.711 5.5656  38280.07   1601.74  38097.45   2774.92  38371.33   1961.51  264.759 9.6768  265.949 6.8096  -1.190063      11.83261  
1 1 1 -7  40  7  o 126.867 4.2386  8722.96    582.433  8046.28    818.599  9416.71    828.865  121.635 6.2345  131.772 5.8075  -10.13735      8.520370  
1 1 1 -7  40  8  o 227.629 5.9919  28106.27   1477.27  26969.78   2085.48  29250.85   2092.89  222.783 8.6428  232.042 8.3274  -9.258255      12.00179  
1 1 1 -7  40  9  o 86.632  4.0257  4067.62    377.737  4426.20    527.351  3689.79    541.324  90.178  5.4244  82.241  6.1209  7.936707       8.178641  
1 1 1 -7  40  10 o 230.043 4.9044  28695.17   1221.98  28207.94   1496.50  29670.10   2116.87  228.005 6.0599  233.635 8.3654  -5.629608      10.32965  
1 1 1 -7  40  11 o 457.489 8.3351  113806.50  4130.09  113783.50  5406.50  113838.80  6400.06  456.777 10.928  456.247 12.951  0.5302734      16.94574  
1 1 1 -7  40  12 o 141.880 3.2061  10908.46   492.679  10908.96   699.985  10907.98   693.567  141.836 4.5565  141.831 4.5149  0.4638672E-02  6.414501  
1 1 1 -7  40  13 o 31.775  4.4730  558.302    149.682  428.372    215.575  679.254    207.994  27.567  7.1569  34.929  5.6941  -7.361320      9.145753  
1 1 1 -7  40  14 o 199.041 3.8698  21478.54   834.266  22537.08   1183.84  20434.21   1175.86  203.783 5.3636  194.025 5.5954  9.758118       7.750887  
1 1 1 -7  40  15 o 542.036 9.0591  160152.91  5318.44  164647.09  7522.51  155661.30  7520.30  547.882 12.677  532.526 13.038  15.35571       18.18510  
1 1 1 -7  40  16 o 202.709 4.1844  22287.97   918.705  22721.46   1395.17  21956.10   1220.72  204.467 6.2999  201.068 5.6054  3.398468       8.432630  
1 1 1 -7  40  17 o 57.747  2.4414  1806.99    152.696  1695.87    180.503  2086.65    286.338  55.854  2.9946  61.866  4.2999  -6.012077      5.239975  
1 1 1 -7  40  18 o 166.875 3.5297  15103.59   637.971  14704.40   910.869  15487.99   893.826  164.518 5.1118  168.868 4.8869  -4.349716      7.071942  
1 1 1 -7  40  19 o 121.557 3.0755  8013.35    404.921  8426.80    812.201  7876.60    467.112  124.402 6.0279  120.485 3.5795  3.917900       7.010559  
1 1 1 -7  40  20 o 38.634  1.8452  808.836    77.210   815.181    83.854   773.490    197.916  38.731  2.0058  37.371  5.0163  1.359509       5.402416  
1 1 1 -7  40  21 o 33.675  4.6758  629.247    165.942  766.220    343.357  587.504    189.548  36.535  8.7849  32.351  5.6132  4.184570       10.42506  
1 1 1 -7  40  22 o 61.430  3.1545  2056.00    209.176  1993.10    427.458  2075.80    239.856  59.844  6.7104  61.669  3.6067  -1.824425      7.618224  
1 1 1 -7  40  23 o 32.216  4.8477  580.054    163.913  1140.52    342.610  413.689    186.662  44.836  7.3068  26.868  6.4878  17.96818       9.771433  
1 1 1 -7  40  24 o 57.265  2.5681  1782.03    159.284  2110.03    490.776  1743.41    168.400  61.086  7.5807  56.627  2.7457  4.458706       8.062572  
1 1 1 -7  40  25 o 34.019  5.8604  657.402    208.138  201.154    427.021  799.572    238.371  25.215  10.162  37.543  6.0692  -12.32772      11.83667  
1 1 1 -7  40  26 f 55.326  3.6654  1681.80    218.398  2239.21    489.256  1543.09    244.064  62.647  7.3501  52.839  4.3019  9.808243       8.516517  
1 1 1 -7  40  27 o 103.986 3.1816  5911.43    358.333  6105.84    733.285  5850.44    410.712  103.931 6.5476  103.287 3.6713  0.6443939      7.506645  
1 1 1 -7  40  28 o 92.433  2.9410  4672.16    294.440  4789.43    480.843  4601.81    372.429  92.726  4.8042  91.454  3.7598  1.271858       6.100564  
1 1 1 -7  40  29 o 15.147  6.6616  -33.6225   211.374  -64.5290   432.547  -23.9265   242.272  21.042  9.3771  16.377  7.1687  4.665724       11.80339  
1 1 1 -7  40  30 o 61.845  2.7924  2100.97    187.048  1182.22    538.992  2226.76    199.443  41.053  11.606  63.636  2.8936  -22.58348      11.96096  
1 1 1 -7  40  31 o 40.252  1.8059  884.651    78.731   899.735    80.072   445.804    431.899  40.591  1.8213  26.621  10.381  13.97009       10.53930  
1 1 1 -7  40  32 o 23.102  9.5396  278.157    387.425  0.0000     0.0000   278.157    387.425  ?       ?       23.102  9.5396  0.000000       9.539552  
1 1 1 -7  40  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  40  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  41  1  o 222.512 4.1051  26827.95   989.344  26163.81   1399.60  27491.23   1398.69  219.677 5.8823  225.187 5.7347  -5.510025      8.215128  
1 1 1 -7  41  2  o 349.370 5.9941  66180.63   2268.21  68219.46   3208.25  64143.12   3207.22  354.511 8.3554  343.731 8.6147  10.77988       12.00107  
1 1 1 -7  41  3  o 85.727  2.6562  3980.87    246.631  3797.38    343.741  4175.54    354.065  83.717  3.7909  87.788  3.7237  -4.070343      5.313895  
1 1 1 -7  41  4  o 177.695 3.6868  17108.24   709.571  16973.43   1061.44  17217.15   954.092  176.940 5.5386  178.226 4.9425  -1.285797      7.423255  
1 1 1 -7  41  5  o 385.503 6.5231  80611.99   2723.65  81473.33   3851.64  79750.50   3852.00  387.250 9.1830  383.120 9.2828  4.129700       13.05751  
1 1 1 -7  41  6  o 268.022 4.7841  38939.12   1388.79  39469.76   1963.64  38408.05   1964.44  269.719 6.7217  266.059 6.8170  3.659332       9.573535  
1 1 1 -7  41  7  o 134.068 3.0517  9737.95    443.129  10056.48   624.938  9415.84    628.435  136.217 4.2358  131.803 4.4022  4.414307       6.109098  
1 1 1 -7  41  8  o 266.241 6.7945  38471.34   1959.31  38773.11   2769.26  38168.86   2772.52  266.996 9.5761  264.897 9.6633  2.099121       13.60449  
1 1 1 -7  41  9  o 179.103 5.1347  17395.05   996.072  17223.37   1410.03  17566.06   1407.29  178.094 7.3098  179.863 7.2239  -1.768753      10.27709  
1 1 1 -7  41  10 o 645.948 15.274  228879.91  10685.98 235052.09  15111.81 222707.00  15112.71 650.584 21.446  632.821 22.049  17.76294       30.75854  
1 1 1 -7  41  11 o 391.149 9.4683  83304.04   4011.28  87987.09   5672.96  78621.50   5672.65  401.021 13.061  378.846 13.825  22.17526       19.01856  
1 1 1 -7  41  12 o 144.744 3.2318  11353.77   506.656  11100.28   714.599  11610.00   718.456  143.069 4.6115  146.320 4.5334  -3.251389      6.466699  
1 1 1 -7  41  13 o 136.706 3.1652  10127.91   468.666  10188.55   663.494  10067.54   662.096  137.067 4.4692  136.250 4.4866  0.8171387      6.332721  
1 1 1 -7  41  14 o 159.699 3.4258  13823.78   592.566  13308.90   842.637  14327.52   833.468  156.620 4.9673  162.517 4.7350  -5.896927      6.862546  
1 1 1 -7  41  15 o 228.136 4.2881  28228.39   1059.58  26417.96   1499.31  30034.77   1497.63  220.508 6.2776  235.165 5.8798  -14.65735      8.601192  
1 1 1 -7  41  16 o 92.990  3.0147  4686.90    303.640  4523.06    443.915  4830.94    416.243  91.304  4.4889  94.376  4.0721  -3.071930      6.060713  
1 1 1 -7  41  17 o 93.757  2.9966  4764.97    304.299  4367.62    438.244  5134.91    422.855  89.595  4.5308  97.292  4.0128  -7.697792      6.052322  
1 1 1 -7  41  18 o 185.375 3.7302  18642.71   748.961  18705.28   1063.13  18581.07   1055.30  185.521 5.2908  184.906 5.2693  0.6143188      7.467153  
1 1 1 -7  41  19 o 103.847 2.9915  5848.59    336.474  5498.36    675.158  5964.32    388.105  100.259 6.2485  104.847 3.4176  -4.587677      7.122065  
1 1 1 -7  41  20 o 29.383  5.3017  484.576    162.519  535.071    334.555  468.980    185.931  30.967  9.2589  28.773  6.1524  2.193428       11.11664  
1 1 1 -7  41  21 o 53.095  3.3953  1537.79    194.232  1245.20    396.346  1630.26    222.822  46.893  8.0963  54.628  3.7894  -7.734871      8.939177  
1 1 1 -7  41  22 o 39.866  1.5482  861.432    66.850   844.233    98.494   876.122    91.027   39.376  2.3197  40.135  2.1013  -0.7584457     3.129937  
1 1 1 -7  41  23 o 186.330 3.7471  18921.00   756.219  19422.06   1515.01  18754.74   872.712  187.036 7.4786  185.308 4.3482  1.728149       8.650789  
1 1 1 -7  41  24 o 136.884 3.2929  10206.62   488.204  9696.81    984.874  10372.71   562.128  131.951 6.9153  137.870 3.7644  -5.919205      7.873519  
1 1 1 -7  41  25 o 74.635  3.3192  3038.28    268.313  2569.95    555.962  3180.48    306.352  67.180  7.7850  76.294  3.7073  -9.113663      8.622632  
1 1 1 -7  41  26 o 11.632  5.5249  -226.1195  188.674  -330.1279  394.400  -195.2533  214.854  17.787  8.3034  13.111  6.1232  4.676074       10.31700  
1 1 1 -7  41  27 o 67.477  2.6414  2482.26    193.045  2597.31    250.837  2315.11    302.330  68.881  3.3622  64.664  4.3419  4.217758       5.491455  
1 1 1 -7  41  28 o 75.793  3.6486  3158.59    299.518  4037.13    587.924  2850.66    348.075  84.106  6.5045  71.588  4.5122  12.51772       7.916360  
1 1 1 -7  41  29 f 32.865  8.6381  668.306    311.525  1078.41    466.304  337.717    418.662  40.871  10.483  26.274  10.227  14.59734       14.64558  
1 1 1 -7  41  30 o 31.416  8.8990  637.413    316.577  925.240    475.694  408.590    424.142  36.479  11.071  26.771  10.329  9.707621       15.14129  
1 1 1 -7  41  31 o 36.681  6.2754  817.367    240.356  652.521    495.336  868.135    274.887  30.116  11.268  37.314  7.0603  -7.197775      13.29690  
1 1 1 -7  41  32 o 36.463  9.1637  926.499    361.483  0.0000     0.0000   926.499    361.483  ?       ?       36.463  9.1637  0.000000       9.163741  
1 1 1 -7  41  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  41  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  42  1  o 195.189 3.8508  20643.40   814.094  20976.96   1152.11  20310.77   1150.49  196.710 5.4075  193.558 5.4879  3.151764       7.704405  
1 1 1 -7  42  2  o 152.753 3.2718  12641.10   541.315  12356.59   765.128  12926.21   765.943  150.994 4.6785  154.437 4.5790  -3.443604      6.546432  
1 1 1 -7  42  3  o 385.873 6.6478  80767.39   2778.39  78646.03   3929.11  82889.03   3929.37  380.444 9.5353  390.605 9.2878  -10.16125      13.31109  
1 1 1 -7  42  4  o 353.369 6.0413  67718.40   2312.22  68456.64   3269.92  66980.12   3270.02  355.045 8.5032  351.185 8.5970  3.860596       12.09183  
1 1 1 -7  42  5  o 42.292  2.9653  973.716    134.970  856.202    189.522  1094.65    192.260  39.489  4.5121  44.766  4.0077  -5.276474      6.034971  
1 1 1 -7  42  6  o 427.440 7.1527  99164.30   3311.41  103700.10  4683.11  94628.73   4682.98  436.663 9.9019  417.041 10.367  19.62119       14.33638  
1 1 1 -7  42  7  o 290.384 5.0822  45719.79   1598.44  46970.38   2259.96  44467.93   2261.11  294.163 7.0932  286.200 7.2943  7.962433       10.17448  
1 1 1 -7  42  8  o 248.719 4.7525  33538.10   1280.26  34182.43   1696.73  32686.31   1950.86  250.995 6.2413  245.351 7.3412  5.644241       9.635736  
1 1 1 -7  42  9  o 191.430 5.3547  19875.39   1110.23  20672.36   1566.71  19071.47   1573.53  195.095 7.4143  187.364 7.7539  7.731705       10.72823  
1 1 1 -7  42  10 o 276.540 7.0217  41532.94   2103.14  42842.13   2973.02  40221.52   2975.56  280.490 9.7861  271.726 10.110  8.764404       14.07083  
1 1 1 -7  42  11 o 69.600  3.0992  2624.92    233.631  3080.38    440.337  2446.46    275.625  75.154  5.4465  67.074  3.8097  8.079933       6.646667  
1 1 1 -7  42  12 o 180.490 5.1525  17673.09   1007.25  18240.77   1423.97  17104.60   1424.97  183.214 7.1758  177.396 7.4164  5.818298       10.31965  
1 1 1 -7  42  13 o 270.531 4.8536  39701.41   1422.18  39768.63   2012.51  39634.37   2010.02  270.532 6.8683  270.075 6.8714  0.4574585      9.715426  
1 1 1 -7  42  14 o 277.325 4.9574  41729.09   1489.05  41927.57   2106.09  41530.70   2105.59  277.724 7.0015  276.402 7.0334  1.322327       9.924204  
1 1 1 -7  42  15 o 89.496  2.7669  4340.43    268.205  4095.77    357.347  4656.04    405.867  86.912  3.7961  92.659  4.0441  -5.746346      5.546669  
1 1 1 -7  42  16 o 216.374 4.1149  25396.00   964.363  25495.84   1365.93  25296.79   1361.71  216.622 5.8218  215.774 5.8266  0.8478241      8.236667  
1 1 1 -7  42  17 o 86.311  3.0207  4038.38    282.385  4083.58    417.129  4000.14    383.670  86.627  4.4609  85.864  4.1255  0.7629242      6.076159  
1 1 1 -7  42  18 o 139.901 3.2156  10614.05   487.254  10912.99   695.792  10326.37   682.562  141.761 4.5316  137.895 4.5701  3.865982       6.435920  
1 1 1 -7  42  19 o 172.915 3.7714  16231.30   706.325  16603.61   1348.35  16090.50   829.201  174.346 7.1404  172.083 4.4489  2.263168       8.412948  
1 1 1 -7  42  20 o 94.316  2.9379  4826.67    300.119  5469.66    605.791  4617.52    345.498  99.990  5.6164  92.215  3.4592  7.775352       6.596189  
1 1 1 -7  42  21 o 117.193 3.0359  7458.10    385.350  6888.05    773.990  7645.98    444.336  111.922 6.4115  118.612 3.4587  -6.689812      7.284946  
1 1 1 -7  42  22 o 79.455  2.9406  3430.15    253.064  3507.46    513.455  3405.34    290.843  79.717  5.9905  79.124  3.3938  0.5936584      6.885070  
1 1 1 -7  42  23 o 109.911 3.0104  6569.68    358.377  6366.00    713.565  6638.38    414.437  107.313 6.1651  110.410 3.4656  -3.096458      7.072379  
1 1 1 -7  42  24 o 101.425 3.0093  5599.34    330.580  5574.66    576.872  5611.40    403.384  100.530 5.3169  101.409 3.6726  -0.8791885     6.462000  
1 1 1 -7  42  25 o 87.988  2.8553  4215.49    272.112  3726.49    436.911  4525.37    347.802  82.145  4.9335  91.034  3.5274  -8.889084      6.064848  
1 1 1 -7  42  26 o 40.986  2.3421  916.729    103.537  850.909    114.481  1212.45    242.657  39.432  2.6967  46.628  4.8770  -7.196369      5.572868  
1 1 1 -7  42  27 f 52.676  4.1001  1536.19    232.084  1505.84    490.504  1544.94    263.438  49.969  9.4083  52.658  4.6673  -2.689579      10.50235  
1 1 1 -7  42  28 o 75.586  2.8197  3122.70    230.844  2796.86    585.280  3182.72    251.210  68.993  7.9795  76.251  3.0417  -7.258179      8.539576  
1 1 1 -7  42  29 o 25.376  8.8872  367.189    301.538  803.572    453.155  20.424     403.953  35.152  10.832  21.294  9.2905  13.85847       14.27014  
1 1 1 -7  42  30 o 44.435  2.0256  1078.21    97.484   1104.21    101.963  801.590    332.596  44.954  2.0941  35.195  8.7597  9.759396       9.006551  
1 1 1 -7  42  31 f 33.027  7.1688  687.474    249.080  1275.31    496.820  490.115    287.872  41.815  10.869  27.206  8.6696  14.60899       13.90341  
1 1 1 -7  42  32 o 35.777  9.2019  897.662    358.596  0.0000     0.0000   897.662    358.596  ?       ?       35.777  9.2019  0.000000       9.201881  
1 1 1 -7  42  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  42  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  43  1  o 344.245 6.3627  64275.40   2372.35  64964.13   3656.87  63774.90   3117.37  345.724 9.7658  342.707 8.3984  3.017578       12.88038  
1 1 1 -7  43  2  o 252.324 4.5762  34506.92   1250.64  34396.48   1768.70  34617.36   1768.64  251.817 6.4848  252.626 6.4639  -0.8085938     9.156124  
1 1 1 -7  43  3  o 195.465 3.7578  20702.47   795.551  19669.20   1125.17  21735.42   1124.99  190.466 5.4542  200.232 5.1874  -9.765564      7.527064  
1 1 1 -7  43  4  o 288.526 5.1083  45131.12   1596.36  46334.29   2257.97  43928.75   2257.22  292.197 7.1346  284.495 7.3254  7.702179       10.22564  
1 1 1 -7  43  5  o 152.711 3.2121  12635.05   531.290  12385.93   750.508  12885.30   752.210  151.163 4.5839  154.183 4.5044  -3.019592      6.426636  
1 1 1 -7  43  6  o 136.690 3.0720  10122.83   454.812  9933.83    641.815  10313.47   644.598  135.378 4.3771  137.943 4.3144  -2.564377      6.146012  
1 1 1 -7  43  7  o 235.892 4.2462  30160.67   1084.89  29196.04   1533.83  31126.38   1534.69  231.982 6.1045  239.541 5.9152  -7.559280      8.500306  
1 1 1 -7  43  8  o 196.662 3.7893  20960.30   807.135  20696.48   1141.38  21224.19   1141.54  195.347 5.3945  197.825 5.3277  -2.478363      7.581916  
1 1 1 -7  43  9  o 372.298 8.2458  75344.34   3325.03  75527.07   5198.10  75217.80   4325.78  371.741 12.910  371.499 10.751  0.2418518      16.80034  
1 1 1 -7  43  10 o 224.019 4.7597  27214.18   1154.87  30512.94   2005.12  25576.67   1412.72  236.939 7.8133  217.089 6.0083  19.85022       9.856314  
1 1 1 -7  43  11 o 36.246  6.3106  733.914    238.743  852.252    358.580  639.684    319.976  38.813  8.7401  33.661  8.7098  5.151936       12.33895  
1 1 1 -7  43  12 o 214.011 6.4289  24873.24   1490.19  25701.86   1856.08  23370.36   2499.67  217.393 7.8828  206.557 11.215  10.83617       13.70829  
1 1 1 -7  43  13 o 124.069 4.2261  8347.09    567.905  8572.95    820.627  8139.51    786.725  125.652 6.0298  122.439 5.9324  3.212440       8.458874  
1 1 1 -7  43  14 o 140.772 3.7500  10743.72   571.770  9899.14    703.317  12389.84   981.888  135.078 4.8073  151.042 6.0020  -15.96420      7.689826  
1 1 1 -7  43  15 o 126.472 3.1059  8669.57    425.452  8638.54    604.284  8700.08    599.109  126.190 4.4212  126.642 4.3678  -0.4513168     6.214888  
1 1 1 -7  43  16 o 76.521  3.0769  3174.00    255.015  3189.56    368.717  3159.74    353.082  76.539  4.4672  76.194  4.2959  0.3443680      6.197649  
1 1 1 -7  43  17 o 115.118 3.0610  7184.58    381.665  7202.24    546.309  7167.75    533.434  115.194 4.3786  114.923 4.2855  0.2706909      6.126845  
1 1 1 -7  43  18 o 38.472  4.3301  813.773    177.296  699.603    268.360  902.202    236.179  35.171  7.2843  40.355  5.5504  -5.183804      9.157969  
1 1 1 -7  43  19 o 109.540 3.4287  6512.03    406.793  6680.67    710.634  6429.83    496.120  110.555 5.9567  108.788 4.2105  1.766624       7.294547  
1 1 1 -7  43  20 o 71.555  2.5489  2777.10    197.542  3306.60    476.421  2667.16    217.082  77.634  5.7059  70.110  2.8587  7.523621       6.381967  
1 1 1 -7  43  21 o 63.014  3.1061  2156.88    211.996  2003.20    431.941  2205.65    243.317  60.027  6.7614  63.595  3.5466  -3.568371      7.635128  
1 1 1 -7  43  22 o 83.733  2.9270  3809.85    265.452  3838.66    537.466  3800.56    305.284  83.393  5.9904  83.584  3.3722  -0.1914215     6.874350  
1 1 1 -7  43  23 f 122.480 3.0977  8161.05    410.937  9331.46    849.201  7803.18    469.579  130.148 6.0242  119.664 3.6231  10.48396       7.029799  
1 1 1 -7  43  24 o 97.322  3.1495  5159.20    331.983  5933.00    678.369  4915.52    380.685  103.384 6.0850  94.891  3.7040  8.493484       7.123686  
1 1 1 -7  43  25 o 32.409  5.8931  599.256    199.240  718.883    429.086  566.375    224.962  34.814  10.503  31.268  6.8335  3.546135       12.53037  
1 1 1 -7  43  26 o 66.052  2.6181  2376.27    187.304  2791.24    525.842  2315.98    200.451  70.054  7.0249  65.176  2.8396  4.878372       7.577107  
1 1 1 -7  43  27 f 40.300  5.1590  916.483    220.017  628.781    463.806  1000.02    249.927  32.540  11.037  41.965  5.6415  -9.425285      12.39495  
1 1 1 -7  43  28 o 18.263  7.8983  3.4250     286.705  -446.7123  431.190  360.146    383.849  17.572  8.3481  26.481  9.9167  -8.908634      12.96273  
1 1 1 -7  43  29 o 18.395  7.9622  14.964     291.897  70.469     442.335  -27.8517   388.494  22.663  9.8057  20.286  8.9712  2.377445       13.29040  
1 1 1 -7  43  30 o ?       ?       -325.5164  30.280   -334.3167  30.504   268.562    250.628  ?       ?       21.941  8.0507  0.000000       8.050669  
1 1 1 -7  43  31 o 34.150  7.0338  731.151    251.504  439.776    502.028  828.782    290.602  26.819  10.942  35.955  7.6947  -9.136072      13.37642  
1 1 1 -7  43  32 o 39.260  8.7037  1051.40    360.391  0.0000     0.0000   1051.40    360.391  ?       ?       39.260  8.7037  0.000000       8.703673  
1 1 1 -7  43  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  43  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  44  1  o 283.201 5.4110  43485.87   1659.75  40551.50   2544.58  45658.79   2189.68  273.231 8.5984  290.076 6.9694  -16.84558      11.06821  
1 1 1 -7  44  2  o 352.334 5.9473  67325.79   2269.59  67637.65   3210.03  67014.07   3209.35  352.894 8.3984  351.259 8.4357  1.635010       11.90349  
1 1 1 -7  44  3  o 127.981 3.0821  8873.66    427.232  8518.51    593.223  9256.36    615.803  125.368 4.3688  130.685 4.3506  -5.317238      6.165524  
1 1 1 -7  44  4  o 579.821 9.6887  182811.20  6084.53  184220.30  8604.87  181402.20  8604.79  580.876 13.677  576.380 13.784  4.496582       19.41769  
1 1 1 -7  44  5  o 400.958 6.7753  87245.45   2942.36  86107.03   4160.92  88384.09   4161.32  397.908 9.6547  403.156 9.5299  -5.248749      13.56581  
1 1 1 -7  44  6  o 247.302 4.4552  33151.52   1193.33  32620.54   1686.90  33683.41   1688.35  245.195 6.3520  249.164 6.2562  -3.969650      8.915561  
1 1 1 -7  44  7  o 392.635 7.2121  83703.84   3067.07  83665.59   4022.06  83756.99   4741.07  392.178 9.4688  392.052 11.165  0.1265869      14.63960  
1 1 1 -7  44  8  o 369.843 6.3358  74234.33   2537.99  74416.34   3589.25  74052.32   3589.26  369.901 8.9588  368.992 8.9809  0.9097290      12.68525  
1 1 1 -7  44  9  o 387.630 9.4068  81785.73   3949.38  83272.84   5583.57  80296.81   5586.96  390.180 13.212  383.071 13.466  7.109192       18.86495  
1 1 1 -7  44  10 o 362.238 6.1349  71224.02   2407.00  70595.88   3402.68  71853.14   3405.34  360.216 8.7214  363.423 8.6512  -3.206909      12.28443  
1 1 1 -7  44  11 o 283.385 5.8304  43586.88   1789.57  45435.36   3099.33  42662.37   2191.87  288.729 9.9108  280.198 7.2224  8.531097       12.26318  
1 1 1 -7  44  12 o 219.616 5.8848  26182.62   1399.80  26441.86   1983.96  25925.64   1975.30  220.437 8.3096  218.269 8.3555  2.168182       11.78400  
1 1 1 -7  44  13 o 155.515 4.7597  13119.49   801.724  13264.09   1134.07  12975.01   1133.55  156.240 6.7016  154.523 6.7729  1.717453       9.528061  
1 1 1 -7  44  14 o 248.659 6.4773  33599.25   1744.49  33487.28   2475.79  33709.67   2458.47  247.812 9.2241  248.651 9.1286  -0.8391113     12.97748  
1 1 1 -7  44  15 o 211.359 5.8188  24267.59   1332.05  23195.47   1896.62  25311.23   1871.26  206.277 8.4890  215.556 8.0150  -9.279282      11.67492  
1 1 1 -7  44  16 o 112.961 3.0534  6916.87    373.581  7161.02    533.277  6681.60    523.506  114.884 4.2857  110.968 4.3556  3.915718       6.110568  
1 1 1 -7  44  17 o 47.545  3.8641  1234.50    197.263  1332.04    293.571  1154.21    266.354  49.185  5.6112  45.758  5.4835  3.426598       7.845642  
1 1 1 -7  44  18 o 96.304  3.0191  5029.54    314.919  5603.27    463.743  4538.53    429.009  101.583 4.2149  91.416  4.3328  10.16642       6.044743  
1 1 1 -7  44  19 o 141.160 3.8192  10821.87   583.925  10099.21   1097.85  11106.95   689.550  135.613 7.5035  142.934 4.4541  -7.320496      8.725901  
1 1 1 -7  44  20 o 172.283 3.5598  16126.06   664.253  16411.65   1331.08  16031.35   766.520  172.973 7.1049  171.682 4.1222  1.290253       8.214125  
1 1 1 -7  44  21 o 33.543  1.3841  609.692    50.286   552.200    324.220  611.109    50.902   31.172  9.0615  33.581  1.3995  -2.409513      9.168939  
1 1 1 -7  44  22 o 70.974  3.0536  2738.55    234.738  3006.20    469.428  2649.31    271.061  73.742  5.9275  69.664  3.6048  4.078140       6.937543  
1 1 1 -7  44  23 o 39.253  4.4591  853.121    186.215  1305.41    435.780  752.087    205.966  47.519  8.7908  36.640  5.3475  10.87856       10.28954  
1 1 1 -7  44  24 o 146.103 3.3707  11639.38   533.398  12531.68   1076.32  11348.90   614.114  150.145 6.6185  144.090 3.9350  6.055084       7.699934  
1 1 1 -7  44  25 o 78.429  3.2739  3356.43    278.106  3779.48    580.702  3230.52    316.800  82.048  6.5902  76.842  3.8064  5.205772       7.610459  
1 1 1 -7  44  26 o 28.852  6.6222  485.442    202.561  219.336    432.166  560.361    229.309  25.292  10.213  30.941  7.0054  -5.649517      12.38447  
1 1 1 -7  44  27 o 79.896  4.8322  3553.05    416.192  3353.93    604.644  3732.35    573.741  76.242  7.4160  80.966  6.5999  -4.723984      9.927514  
1 1 1 -7  44  28 o 61.999  5.4900  2172.10    364.847  2255.01    539.089  2102.02    495.594  61.617  8.2879  59.728  7.8511  1.889805       11.41617  
1 1 1 -7  44  29 o 14.451  1.7261  115.228    26.483   -203.8786  443.698  116.368    26.531   19.645  9.0433  14.525  1.7198  5.120757       9.205341  
1 1 1 -7  44  30 o 49.127  4.9906  1392.48    261.858  1476.11    525.399  1364.84    302.046  45.887  10.758  48.045  5.9302  -2.158367      12.28443  
1 1 1 -7  44  31 o 54.206  4.7618  1697.33    276.735  0.0000     0.0000   1697.33    276.735  ?       ?       54.206  4.7618  0.000000       4.761840  
1 1 1 -7  44  32 o 28.758  11.116  635.090    491.900  0.0000     0.0000   635.090    491.900  ?       ?       28.758  11.116  0.000000       11.11606  
1 1 1 -7  44  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  45  1  o 486.888 8.1875  128752.80  4317.70  129926.30  6106.66  127579.60  6105.63  488.405 11.544  483.949 11.648  4.456024       16.39951  
1 1 1 -7  45  2  o 419.392 7.0706  95461.16   3211.77  97638.84   4542.60  93284.39   4541.65  423.706 9.8985  414.109 10.126  9.596832       14.16023  
1 1 1 -7  45  3  o 335.481 6.2211  61055.39   2260.49  62167.43   2972.23  59529.67   3481.45  338.319 8.1112  330.853 9.7153  7.465179       12.65615  
1 1 1 -7  45  4  f 259.230 4.7116  36429.28   1322.88  36045.99   1871.04  36812.40   1870.63  257.729 6.7027  260.460 6.6310  -2.731171      9.428466  
1 1 1 -7  45  5  o 152.075 3.2454  12530.65   534.564  12129.18   756.222  12931.62   755.753  149.579 4.6677  154.453 4.5176  -4.873718      6.495920  
1 1 1 -7  45  6  o 228.608 4.4473  28329.95   1101.17  29411.25   1462.89  26916.27   1672.69  232.850 5.8005  222.676 6.9354  10.17448       9.041354  
1 1 1 -7  45  7  o 310.096 5.4152  52154.95   1818.78  54624.05   2572.51  49687.25   2571.77  317.131 7.4894  302.417 7.8516  14.71378       10.85074  
1 1 1 -7  45  8  o 298.612 5.6286  48375.17   1820.45  47685.43   2397.82  49313.72   2797.06  296.276 7.4722  301.143 8.5755  -4.867340      11.37426  
1 1 1 -7  45  9  o 410.450 7.8513  91567.08   3490.40  88051.88   4273.19  98613.84   6050.23  402.085 9.8121  424.561 13.157  -22.47583      16.41307  
1 1 1 -7  45  10 o 204.773 3.9218  22730.28   869.808  23175.90   1227.64  22281.08   1232.56  206.674 5.4842  202.636 5.6159  4.038406       7.849545  
1 1 1 -7  45  11 o 190.625 3.7787  19697.71   780.184  21489.35   1102.57  17901.03   1104.12  199.027 5.1148  181.620 5.6129  17.40768       7.593743  
1 1 1 -7  45  12 o 138.879 3.2725  10453.10   492.245  10908.03   676.986  9942.79    717.015  141.825 4.4071  135.383 4.8898  6.441956       6.582808  
1 1 1 -7  45  13 o 68.700  4.5867  2571.45    339.333  2016.35    505.311  3027.37    457.954  60.366  7.9197  74.457  5.7225  -14.09111      9.770775  
1 1 1 -7  45  14 o 106.055 4.1764  6100.12    479.732  6276.36    691.513  5936.61    666.089  107.328 5.9722  104.380 5.9161  2.948074       8.406396  
1 1 1 -7  45  15 o 154.326 4.7406  12925.41   792.401  13402.48   1131.18  12465.75   1110.36  156.986 6.6527  151.389 6.7717  5.596817       9.492881  
1 1 1 -7  45  16 o 203.776 5.5851  22563.34   1232.69  23381.41   1761.60  21778.42   1725.54  207.098 7.8535  199.853 7.9716  7.245193       11.19034  
1 1 1 -7  45  17 o 86.313  4.2486  4043.95    397.184  3717.72    590.195  4314.01    536.976  82.353  6.6742  88.898  5.6056  -6.545364      8.715917  
1 1 1 -7  45  18 o 158.242 3.4093  13586.19   584.331  13431.77   830.922  13737.27   821.889  157.186 4.8806  158.977 4.7732  -1.790741      6.826717  
1 1 1 -7  45  19 f 68.998  3.2165  2583.80    240.375  2330.31    352.504  2804.11    328.633  65.233  5.0279  71.697  4.2509  -6.463623      6.584079  
1 1 1 -7  45  20 o 71.993  3.0587  2814.07    238.508  2701.57    499.888  2847.23    271.391  69.896  6.6847  72.390  3.4613  -2.494385      7.527676  
1 1 1 -7  45  21 o 126.251 3.0907  8661.09    422.625  8830.72    848.296  8605.09    487.423  126.843 6.1746  125.770 3.5782  1.073540       7.136472  
1 1 1 -7  45  22 o 43.678  2.0038  1034.95    94.796   1104.46    359.292  1029.75    98.278   43.972  7.8311  43.565  2.0828  0.4063454      8.103378  
1 1 1 -7  45  23 o 133.349 3.1764  9679.81    458.778  10874.88   943.570  9309.83    525.014  140.325 6.2082  130.653 3.7101  9.671585       7.232345  
1 1 1 -7  45  24 o 84.272  2.8729  3865.57    262.229  3511.26    400.833  4130.67    346.720  79.859  4.6543  86.972  3.6807  -7.113701      5.933831  
1 1 1 -7  45  25 o 57.156  2.6861  1778.57    166.284  2762.72    507.907  1660.42    175.982  69.948  6.7896  55.116  2.9588  14.83231       7.406273  
1 1 1 -7  45  26 o 51.245  4.2461  1454.53    233.552  1677.21    484.229  1387.03    266.613  53.327  8.6824  49.817  5.0092  3.510128       10.02379  
1 1 1 -7  45  27 o 20.321  8.2804  121.045    287.059  -339.1411  432.690  482.823    383.647  18.563  8.6760  29.027  10.032  -10.46409      13.26351  
1 1 1 -7  45  28 o 42.486  7.3490  1067.25    325.935  1028.30    486.877  1098.87    438.754  39.939  10.935  41.859  9.8429  -1.919773      14.71237  
1 1 1 -7  45  29 o 71.270  2.8352  2788.25    218.860  2852.28    287.380  2699.84    337.702  71.649  3.7159  69.282  4.5252  2.367676       5.855402  
1 1 1 -7  45  30 o 30.232  2.0157  501.833    65.624   632.307    493.495  499.484    66.212   30.157  11.254  30.156  2.0392  0.1279831E-02  11.43709  
1 1 1 -7  45  31 f 36.612  7.2070  846.199    275.619  0.0000     0.0000   846.199    275.619  ?       ?       36.612  7.2070  0.000000       7.207022  
1 1 1 -7  45  32 o 57.518  9.5490  2324.46    574.018  0.0000     0.0000   2324.46    574.018  ?       ?       57.518  9.5490  0.000000       9.549019  
1 1 1 -7  45  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  46  1  o 261.049 4.7831  36943.21   1352.40  38827.78   1913.51  35062.29   1911.66  267.499 6.6045  254.171 6.9441  13.32809       9.583293  
1 1 1 -7  46  2  o 522.281 8.7562  148240.41  4953.23  146993.20  7005.08  149487.50  7004.76  519.153 12.458  523.571 12.352  -4.417358      17.54367  
1 1 1 -7  46  3  o 435.974 7.3749  103194.40  3482.47  102805.30  4925.08  103583.40  4924.84  434.598 10.463  436.248 10.423  -1.650024      14.76856  
1 1 1 -7  46  4  o 37.400  1.9473  759.690    78.608   747.838    85.909   820.659    194.852  37.095  2.1474  38.616  4.7594  -1.521580      5.221471  
1 1 1 -7  46  5  o 209.290 3.9913  23739.92   904.759  23603.05   1279.14  23876.96   1279.90  208.604 5.6614  209.812 5.6322  -1.208588      7.985811  
1 1 1 -7  46  6  o 251.331 4.5528  34244.73   1239.34  33352.39   1752.54  35137.38   1752.85  247.895 6.5273  254.456 6.3601  -6.561142      9.113484  
1 1 1 -7  46  7  o 265.973 4.7459  38357.63   1367.19  37926.68   1933.03  38788.98   1933.95  264.308 6.7524  267.303 6.6799  -2.994873      9.498219  
1 1 1 -7  46  8  o 348.506 6.8961  65955.38   2603.05  74515.80   4512.79  61687.05   3186.60  369.588 11.273  336.762 8.7364  32.82635       14.26239  
1 1 1 -7  46  9  f 381.864 7.5397  79243.60   3118.42  78585.98   3818.38  80560.67   5403.76  379.938 9.2789  383.715 13.002  -3.777130      15.97359  
1 1 1 -7  46  10 o 573.380 9.5126  179082.91  5907.61  185412.80  8353.94  172750.91  8355.31  581.836 13.256  561.383 13.741  20.45276       19.09334  
1 1 1 -7  46  11 o 279.068 4.8585  42243.45   1468.54  43190.92   2076.40  41295.19   2077.26  281.962 6.7991  275.684 6.9568  6.277710       9.727491  
1 1 1 -7  46  12 o 127.845 3.0890  8857.44    427.733  8882.77    603.453  8831.87    606.370  127.984 4.3533  127.615 4.3870  0.3685684      6.180357  
1 1 1 -7  46  13 f 408.961 6.9842  90922.37   3093.62  94211.82   4374.82  87632.27   4375.26  415.547 9.7201  400.662 10.082  14.88547       14.00466  
1 1 1 -7  46  14 o 189.858 4.3586  19553.23   896.285  19021.84   1553.81  19818.21   1097.23  186.934 7.6743  191.064 5.3021  -4.129440      9.327771  
1 1 1 -7  46  15 o 186.497 5.8375  18898.31   1179.15  19311.20   1499.13  18228.45   1909.49  188.341 7.3489  182.380 9.7014  5.960968       12.17062  
1 1 1 -7  46  16 o 182.139 5.2590  18022.53   1037.47  17209.51   1476.20  18816.02   1458.36  177.668 7.6713  185.842 7.2452  -8.174713      10.55186  
1 1 1 -7  46  17 o 143.535 4.7127  11191.20   732.648  10978.53   1067.78  11380.40   1007.12  141.912 6.9469  144.554 6.4325  -2.641800      9.467690  
1 1 1 -7  46  18 o 135.438 4.5666  9969.87    669.897  9486.81    966.415  10416.66   929.422  131.657 6.8004  138.229 6.2079  -6.572144      9.207787  
1 1 1 -7  46  19 o 73.168  3.6450  2907.91    288.862  3062.89    380.299  2696.56    444.111  74.871  4.7137  70.046  5.9090  4.825706       7.558766  
1 1 1 -7  46  20 o 177.283 3.5844  17084.87   688.259  18938.21   1383.68  16475.57   793.369  185.717 6.8788  173.969 4.2105  11.74765       8.065141  
1 1 1 -7  46  21 o 44.716  3.7871  1096.25    181.692  1152.07    393.370  1081.12    204.853  44.860  8.4048  44.321  4.3224  0.5396385      9.451145  
1 1 1 -7  46  22 o 85.888  2.7204  4008.06    253.070  3933.52    415.219  4052.12    319.211  84.719  4.5416  86.277  3.4160  -1.557785      5.682850  
1 1 1 -7  46  23 f 129.816 3.2533  9178.05    457.427  9694.91    918.639  9007.65    527.469  132.352 6.4083  128.476 3.7906  3.876205       7.445447  
1 1 1 -7  46  24 o 135.353 3.2800  9989.20    480.858  11278.94   974.231  9573.80    552.899  142.526 6.3110  132.337 3.8574  10.18922       7.396482  
1 1 1 -7  46  25 o 64.608  3.6899  2291.29    257.138  1668.82    525.724  2487.04    294.808  53.063  9.4961  67.225  4.0681  -14.16235      10.33076  
1 1 1 -7  46  26 o 38.374  1.4668  799.064    60.966   818.247    86.651   780.260    85.793   38.739  2.0727  37.823  2.1025  0.9164696      2.952375  
1 1 1 -7  46  27 o 7.6756  2.7381  27.482     28.734   27.112     28.818   90.373     375.814  7.6540  2.7408  21.936  9.2499  -14.28196      9.647392  
1 1 1 -7  46  28 o 52.379  2.5155  1498.11    142.710  1442.49    165.610  1658.56    281.272  51.224  2.9980  54.321  4.8311  -3.096275      5.685771  
1 1 1 -7  46  29 o 40.367  5.5446  945.476    236.020  994.133    496.667  931.283    268.243  37.936  11.267  39.597  6.4787  -1.660336      12.99718  
1 1 1 -7  46  30 o 53.876  4.4701  1657.07    258.487  2025.41    544.403  1549.86    293.705  55.181  9.4486  51.537  5.3390  3.643703       10.85269  
1 1 1 -7  46  31 o 37.801  7.0309  897.614    277.269  0.0000     0.0000   897.614    277.269  ?       ?       37.801  7.0309  0.000000       7.030904  
1 1 1 -7  46  32 o 24.333  10.806  269.049    569.282  0.0000     0.0000   269.049    569.282  ?       ?       24.333  10.806  0.000000       10.80565  
1 1 1 -7  46  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  47  1  o 462.362 7.8492  116109.80  3930.76  114739.20  5559.33  117479.90  5558.54  458.939 11.184  464.420 11.050  -5.481232      15.72240  
1 1 1 -7  47  2  o 229.405 4.2132  28524.24   1046.85  27983.53   1480.95  29064.25   1480.00  227.121 6.0202  231.472 5.9033  -4.351822      8.431590  
1 1 1 -7  47  3  o 205.253 3.8571  22831.32   857.473  24344.88   1212.92  21319.11   1212.38  211.880 5.2853  198.258 5.6460  13.62267       7.733797  
1 1 1 -7  47  4  o 32.643  3.6131  584.517    125.603  450.688    185.798  697.152    170.452  28.270  6.2354  35.576  4.5261  -7.305422      7.704961  
1 1 1 -7  47  5  o 256.711 4.9187  35733.18   1367.63  36945.32   1809.81  34119.53   2088.15  260.916 6.4041  250.623 7.6926  10.29366       10.00943  
1 1 1 -7  47  6  o 322.624 5.5758  56462.90   1948.37  55772.27   2755.30  57153.65   2755.53  320.367 7.9405  324.324 7.8443  -3.956512      11.16180  
1 1 1 -7  47  7  o 386.831 6.5598  81234.56   2748.41  78682.43   3886.18  83788.43   3887.50  380.211 9.4369  392.413 9.1465  -12.20258      13.14206  
1 1 1 -7  47  8  o 280.788 5.7979  42782.28   1763.29  42477.26   3054.03  42934.79   2159.60  279.219 10.099  281.149 7.0920  -1.929443      12.34003  
1 1 1 -7  47  9  o 183.012 4.2259  18158.75   837.667  18312.09   1025.63  17851.52   1451.73  183.733 5.1539  181.249 7.3951  2.484558       9.013824  
1 1 1 -7  47  10 o 198.254 3.8760  21306.72   832.303  21974.49   1174.47  20633.04   1179.65  201.244 5.3883  194.991 5.5856  6.253159       7.760943  
1 1 1 -7  47  11 o 378.817 6.5061  77944.70   2669.46  81437.33   3775.09  74451.72   3775.28  386.686 9.0136  369.631 9.4300  17.05545       13.04491  
1 1 1 -7  47  12 o 110.501 2.9719  6616.98    355.690  6385.60    499.489  6855.02    506.631  108.515 4.2498  112.436 4.1602  -3.920944      5.947105  
1 1 1 -7  47  13 o 151.358 3.3378  12417.77   547.178  12869.93   773.206  11964.16   774.449  154.024 4.6349  148.495 4.8152  5.529221       6.683412  
1 1 1 -7  47  14 o 160.600 3.6292  13984.82   631.292  13499.19   859.860  14552.65   929.799  157.699 5.0342  163.721 5.2434  -6.021622      7.268864  
1 1 1 -7  47  15 o 42.932  4.2291  1009.61    194.098  1026.23    297.628  997.318    256.035  42.943  6.6110  42.466  5.7114  0.4773560      8.736456  
1 1 1 -7  47  16 o 217.816 5.9129  25801.04   1394.96  24560.11   1979.10  27026.22   1966.50  212.016 8.6184  222.508 8.1598  -10.49161      11.86839  
1 1 1 -7  47  17 o 96.409  4.2492  5046.93    443.707  4681.44    652.056  5362.10    605.519  92.457  6.5539  99.113  5.6641  -6.655960      8.662313  
1 1 1 -7  47  18 o 189.907 5.5198  19642.56   1135.37  18147.89   1626.72  21062.24   1585.38  181.899 8.2568  196.189 7.4609  -14.28960      11.12832  
1 1 1 -7  47  19 o 93.692  4.2008  4774.04    426.295  4757.57    635.166  4787.54    575.051  93.070  6.3387  93.488  5.7065  -0.4174576     8.528942  
1 1 1 -7  47  20 o 167.112 4.9409  15238.73   894.295  0.0000     0.0000   15238.73   894.295  ?       ?       167.112 4.9409  0.000000       4.940858  
1 1 1 -7  47  21 o 101.539 2.8157  5600.65    309.658  5484.99    565.361  5650.21    370.110  99.975  5.2393  101.922 3.3527  -1.946342      6.220223  
1 1 1 -7  47  22 o 51.971  3.4913  1477.43    195.383  1103.24    417.836  1582.14    221.038  43.554  9.1484  53.738  3.8226  -10.18355      9.914875  
1 1 1 -7  47  23 o 84.310  2.8694  3867.20    262.019  3736.30    398.078  3967.26    348.044  82.482  4.4726  85.251  3.7693  -2.768593      5.849127  
1 1 1 -7  47  24 o 51.769  4.5733  1482.22    253.793  1807.05    516.154  1378.65    291.460  55.777  8.8385  49.677  5.5097  6.099724       10.41518  
1 1 1 -7  47  25 o 103.089 4.5314  5848.58    505.960  6713.40    729.089  5045.21    702.712  109.547 6.1700  94.530  6.9113  15.01723       9.264686  
1 1 1 -7  47  26 o 78.347  4.8374  3409.62    408.482  3358.88    595.702  3454.65    561.202  76.574  7.2697  77.978  6.7101  -1.403099      9.893107  
1 1 1 -7  47  27 o 26.010  1.0113  366.776    28.489   -375.7937  435.647  369.966    28.551   18.302  8.6022  26.122  1.0091  -7.820915      8.661153  
1 1 1 -7  47  28 o 25.322  7.3917  382.631    215.340  -58.2227   458.613  507.318    243.898  21.658  9.6532  28.939  7.6611  -7.280930      12.32382  
1 1 1 -7  47  29 o 35.869  6.2938  766.419    235.596  323.902    494.071  896.653    268.032  26.246  10.798  38.677  6.6373  -12.43060      12.67486  
1 1 1 -7  47  30 o 23.922  7.7098  358.005    227.172  269.744    484.793  382.839    257.153  24.694  10.464  24.638  8.2185  0.5613708E-01  13.30579  
1 1 1 -7  47  31 o 28.277  9.4375  555.822    339.084  0.0000     0.0000   555.822    339.084  ?       ?       28.277  9.4375  0.000000       9.437544  
1 1 1 -7  47  32 o 27.135  10.816  544.561    478.116  0.0000     0.0000   544.561    478.116  ?       ?       27.135  10.816  0.000000       10.81627  
1 1 1 -7  47  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  48  1  o 247.951 4.4483  33326.73   1194.62  32753.00   1689.78  33900.02   1689.12  245.683 6.3502  249.956 6.2392  -4.273483      8.902342  
1 1 1 -7  48  2  f 127.374 2.9605  8790.03    408.427  8854.70    588.424  8729.92    567.356  127.812 4.2506  126.912 4.1275  0.9005432      5.924818  
1 1 1 -7  48  3  o 184.156 3.6503  18378.36   728.093  17909.84   1029.29  18847.60   1030.07  181.730 5.2293  186.433 5.1012  -4.703186      7.305326  
1 1 1 -7  48  4  o 310.788 5.3941  52387.28   1815.73  49640.39   2567.59  55135.18   2568.07  302.275 7.8425  318.616 7.4416  -16.34146      10.81123  
1 1 1 -7  48  5  o 257.809 5.0372  36044.04   1406.56  34702.05   1860.07  37836.18   2149.53  252.822 6.7927  263.918 7.5198  -11.09587      10.13352  
1 1 1 -7  48  6  o 160.668 3.3453  13988.60   582.150  14394.13   821.766  13580.05   824.812  162.933 4.6566  158.252 4.8121  4.681046       6.696304  
1 1 1 -7  48  7  o 105.244 2.8339  6001.24    323.042  5638.80    463.394  6343.92    450.577  101.988 4.1950  108.186 3.8453  -6.197769      5.690696  
1 1 1 -7  48  8  o 182.503 5.1662  18067.30   1021.21  17712.31   1442.09  18424.38   1446.35  180.549 7.3744  184.152 7.2515  -3.603561      10.34242  
1 1 1 -7  48  9  o 90.415  2.8125  4429.33    275.422  4194.72    380.651  4687.10    399.008  87.965  3.9953  92.985  3.9619  -5.020264      5.626597  
1 1 1 -7  48  10 o 205.729 4.2437  22948.88   945.611  23497.95   1261.71  22245.22   1428.32  208.082 5.5983  202.383 6.5160  5.698761       8.590668  
1 1 1 -7  48  11 o 277.313 4.9021  41718.41   1472.40  41474.63   2080.29  41963.12   2084.29  276.261 6.9524  277.887 6.9250  -1.625916      9.812819  
1 1 1 -7  48  12 o 126.842 3.0794  8719.39    423.053  8555.44    593.947  8888.21    602.723  125.598 4.3661  128.018 4.3469  -2.420143      6.161032  
1 1 1 -7  48  13 o 176.583 3.6267  16905.29   693.626  17487.18   983.239  16328.82   978.648  179.501 5.0573  173.443 5.2095  6.058472       7.260567  
1 1 1 -7  48  14 o 44.397  4.0351  1077.86    191.913  946.670    272.257  1207.42    270.564  41.267  6.2901  46.841  5.4340  -5.573990      8.312281  
1 1 1 -7  48  15 o 226.357 4.5388  27809.45   1112.76  28512.50   1481.45  26899.29   1685.61  229.014 5.9725  222.282 7.0014  6.732544       9.202708  
1 1 1 -7  48  16 o 127.007 3.1611  8746.81    434.853  8528.00    625.253  8951.80    605.188  125.319 4.6065  128.414 4.3512  -3.094803      6.336596  
1 1 1 -7  48  17 o 110.544 3.0255  6627.29    362.249  6420.37    518.436  6824.70    506.372  108.717 4.4028  112.106 4.1703  -3.388596      6.064349  
1 1 1 -7  48  18 o 181.688 5.1983  17974.93   1022.96  18596.09   1459.78  17375.59   1433.92  184.309 7.3126  178.126 7.4324  6.182526       10.42659  
1 1 1 -7  48  19 o 87.270  4.1681  4143.16    393.983  4506.88    593.899  3857.29    526.518  90.592  6.0881  83.828  5.8354  6.763840       8.433109  
1 1 1 -7  48  20 o 29.239  8.2017  486.785    270.278  0.0000     0.0000   486.785    270.278  ?       ?       29.239  8.2017  0.000000       8.201688  
1 1 1 -7  48  21 o 93.904  4.0422  4807.05    411.123  0.0000     0.0000   4807.05    411.123  ?       ?       93.904  4.0422  0.000000       4.042199  
1 1 1 -7  48  22 o 51.039  4.8916  1439.47    267.094  0.0000     0.0000   1439.47    267.094  ?       ?       51.039  4.8916  0.000000       4.891575  
1 1 1 -7  48  23 o 131.063 3.3446  9362.81    474.784  8659.09    950.848  9596.54    547.987  124.467 7.0825  132.559 3.8167  -8.092026      8.045418  
1 1 1 -7  48  24 o 135.893 3.3911  10078.43   499.129  9844.23    1024.05  10151.41   571.626  132.376 7.1691  136.225 3.8742  -3.848969      8.148950  
1 1 1 -7  48  25 o 82.658  5.2373  3797.41    466.456  3682.08    640.943  3927.28    680.137  80.350  7.4496  82.881  7.6633  -2.531593      10.68749  
1 1 1 -7  48  26 o 82.407  4.0950  3738.01    365.498  4000.75    653.206  3618.25    440.996  83.535  7.2927  80.580  5.0789  2.954834       8.887008  
1 1 1 -7  48  27 o 63.653  3.7842  2237.11    259.720  2506.30    543.880  2157.60    295.602  65.437  7.8292  62.294  4.4097  3.143127       8.985658  
1 1 1 -7  48  28 o 28.057  7.1375  474.164    217.416  203.394    465.570  549.683    245.873  24.893  10.383  30.088  7.5554  -5.195438      12.84066  
1 1 1 -7  48  29 o 29.771  7.3010  550.612    233.623  917.135    483.140  438.758    266.901  36.026  11.198  26.419  8.3404  9.607792       13.96268  
1 1 1 -7  48  30 o 26.707  7.6418  456.434    232.236  346.460    489.255  488.420    263.857  25.675  10.671  27.388  8.2303  -1.712633      13.47585  
1 1 1 -7  48  31 o 32.259  9.9148  753.420    379.968  0.0000     0.0000   753.420    379.968  ?       ?       32.259  9.9148  0.000000       9.914808  
1 1 1 -7  48  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  48  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  49  1  o 188.482 3.6437  19252.13   743.844  19598.71   1052.43  18906.18   1051.48  190.107 5.1112  186.714 5.1994  3.393417       7.290975  
1 1 1 -7  49  2  o 233.724 4.6281  29616.48   1171.59  29259.20   1782.59  29888.17   1554.50  232.135 7.0899  234.695 6.1153  -2.560669      9.362877  
1 1 1 -7  49  3  o 263.680 4.7734  37698.39   1363.26  36829.13   1928.05  38567.44   1927.82  260.457 6.8346  266.547 6.6776  -6.090881      9.555217  
1 1 1 -7  49  4  o 177.997 3.5798  17169.93   690.141  17203.80   976.960  17136.20   975.057  178.110 5.0643  177.760 5.0644  0.3502502      7.162046  
1 1 1 -7  49  5  o 98.989  2.7139  5308.80    290.972  4679.81    409.025  5953.22    414.013  92.917  4.0643  104.808 3.6471  -11.89137      5.460771  
1 1 1 -7  49  6  o 59.137  2.7268  1894.75    174.656  1952.24    249.980  1839.92    244.126  59.890  3.8745  58.132  3.8999  1.758045       5.497358  
1 1 1 -7  49  7  o 303.080 5.3126  49830.50   1743.95  48644.84   2466.42  51015.98   2466.23  299.184 7.6113  306.414 7.4311  -7.229980      10.63734  
1 1 1 -7  49  8  o 77.823  3.2131  3282.04    270.833  2906.68    459.697  3481.60    335.181  72.949  5.8678  80.143  3.8614  -7.194382      7.024332  
1 1 1 -7  49  9  o 410.427 7.5301  91565.46   3347.38  89968.97   4386.19  93792.13   5180.04  406.265 9.9680  414.348 11.542  -8.083038      15.25088  
1 1 1 -7  49  10 o 103.661 2.9194  5822.77    327.775  5967.09    464.509  5679.64    462.583  104.908 4.0880  102.348 4.1729  2.560547       5.841701  
1 1 1 -7  49  11 o 165.396 3.4812  14827.87   623.628  14959.35   878.462  14694.27   885.465  166.057 4.8842  164.574 4.9675  1.482788       6.966499  
1 1 1 -7  49  12 o 236.013 4.3994  30212.25   1124.61  29780.54   1591.24  30643.09   1589.63  234.133 6.2748  237.511 6.1793  -3.377747      8.806685  
1 1 1 -7  49  13 o 280.391 5.0293  42672.26   1527.36  43105.93   2158.74  42237.55   2161.29  281.501 7.0803  278.637 7.1615  2.864197       10.07063  
1 1 1 -7  49  14 o 261.599 4.7510  37142.28   1346.14  36805.06   1903.50  37479.67   1903.96  260.117 6.7564  262.501 6.6966  -2.383301      9.512806  
1 1 1 -7  49  15 o 171.495 3.5698  15950.49   663.087  15674.65   937.741  16226.34   937.754  169.878 5.0965  172.850 5.0090  -2.972351      7.145955  
1 1 1 -7  49  16 o 70.655  3.1505  2707.18    241.096  2807.56    350.105  2616.63    332.499  71.760  4.5277  69.275  4.4551  2.485657       6.351979  
1 1 1 -7  49  17 o 107.976 3.0792  6324.00    360.112  6262.97    522.691  6379.14    496.842  107.355 4.4952  108.368 4.2330  -1.012108      6.174566  
1 1 1 -7  49  18 o 99.809  3.0064  5405.50    324.997  5513.91    468.118  5304.63    451.561  100.702 4.2919  98.779  4.2207  1.923080       6.019482  
1 1 1 -7  49  19 o 42.081  4.1960  973.154    188.696  1143.13    298.875  860.493    243.323  45.281  6.2615  39.246  5.9073  6.035248       8.608307  
1 1 1 -7  49  20 o 107.785 5.8477  6385.34    680.117  0.0000     0.0000   6385.34    680.117  ?       ?       107.785 5.8477  0.000000       5.847686  
1 1 1 -7  49  21 o 42.886  5.0239  1019.91    228.937  0.0000     0.0000   1019.91    228.937  ?       ?       42.886  5.0239  0.000000       5.023879  
1 1 1 -7  49  22 o 96.234  4.1059  5057.47    427.957  0.0000     0.0000   5057.47    427.957  ?       ?       96.234  4.1059  0.000000       4.105850  
1 1 1 -7  49  23 o 86.554  4.8132  4125.03    449.435  0.0000     0.0000   4125.03    449.435  ?       ?       86.554  4.8132  0.000000       4.813169  
1 1 1 -7  49  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  49  25 o 62.442  3.0757  2128.57    208.016  2119.28    222.220  2194.35    591.319  62.181  3.3115  60.935  9.2503  1.246189       9.825150  
1 1 1 -7  49  26 o 136.538 3.4232  10215.80   506.245  9404.12    1021.38  10480.15   582.880  128.101 7.3929  138.054 3.8982  -9.952332      8.357630  
1 1 1 -7  49  27 o 83.073  3.6303  3794.77    326.646  3608.75    660.808  3854.93    375.764  78.534  7.8748  83.534  4.1532  -5.000145      8.902884  
1 1 1 -7  49  28 o 70.073  3.8806  2728.04    293.373  2730.34    620.052  2727.38    333.005  66.810  8.7814  69.800  4.4277  -2.990143      9.834534  
1 1 1 -7  49  29 o 31.117  7.2400  602.782    239.422  524.995    533.065  622.439    267.972  28.981  11.462  31.287  7.9048  -2.306061      13.92363  
1 1 1 -7  49  30 o 20.536  7.6817  230.338    230.202  215.615    479.463  234.749    262.428  23.842  10.263  21.094  8.1290  2.747829       13.09194  
1 1 1 -7  49  31 o 25.154  9.4713  415.311    351.072  0.0000     0.0000   415.311    351.072  ?       ?       25.154  9.4713  0.000000       9.471260  
1 1 1 -7  49  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  50  1  o 185.166 3.8554  18582.93   773.217  18037.95   1158.61  19020.56   1038.25  182.334 5.8668  187.276 5.1186  -4.942139      7.785813  
1 1 1 -7  50  2  o 306.138 5.3573  50834.10   1776.38  51002.38   2512.40  50665.88   2511.95  306.405 7.5705  305.390 7.5943  1.015442       10.72309  
1 1 1 -7  50  3  o 188.259 3.6915  19207.85   752.713  18803.30   1064.99  19611.64   1064.00  186.193 5.2810  190.159 5.1660  -3.966339      7.387583  
1 1 1 -7  50  4  o 124.881 3.0041  8449.92    406.325  7594.12    574.684  9305.41    574.577  118.351 4.4832  131.023 4.0488  -12.67166      6.040858  
1 1 1 -7  50  5  f 410.692 7.0414  91604.98   3132.15  93062.44   4429.68  90147.73   4429.38  413.370 9.8938  406.808 10.053  6.561981       14.10476  
1 1 1 -7  50  6  o 178.758 3.5595  17318.16   689.167  17935.16   975.562  16703.52   973.698  181.850 4.9530  175.486 5.1228  6.364029       7.125740  
1 1 1 -7  50  7  o 191.524 4.3622  19888.44   904.892  19134.97   1567.25  20265.22   1108.29  187.626 7.7121  193.276 5.2942  -5.649780      9.354462  
1 1 1 -7  50  8  o 317.663 6.3475  54789.70   2183.94  53159.59   2673.11  58062.11   3787.41  312.680 7.8931  326.230 10.719  -13.54996      13.31143  
1 1 1 -7  50  9  o 88.410  2.8523  4235.27    273.130  3912.50    376.681  4593.11    396.618  84.949  4.0940  92.045  3.9783  -7.095680      5.708554  
1 1 1 -7  50  10 o 404.144 6.8763  88749.76   3009.97  88105.80   4256.09  89394.12   4257.38  401.989 9.7752  404.936 9.7070  -2.947327      13.77611  
1 1 1 -7  50  11 o 240.429 4.4196  31351.67   1150.90  31742.74   1626.99  30960.00   1628.25  241.749 6.2137  238.740 6.2969  3.008652       8.846519  
1 1 1 -7  50  12 o 150.984 3.3890  12357.15   554.204  12611.23   758.119  12065.54   812.196  152.467 4.5908  149.106 5.0292  3.361252       6.809412  
1 1 1 -7  50  13 o 93.950  2.8395  4783.61    288.943  5254.65    443.928  4437.38    380.597  98.425  4.1642  90.457  3.8847  7.968117       5.694860  
1 1 1 -7  50  14 o 132.332 3.2661  9494.06    468.125  9832.73    655.305  9141.12    668.963  134.605 4.4948  129.769 4.7595  4.836685       6.546456  
1 1 1 -7  50  15 o 214.097 4.1289  24874.58   957.441  24937.48   1356.92  24812.21   1351.15  214.146 5.8502  213.609 5.8400  0.5369873      8.266249  
1 1 1 -7  50  16 o 207.934 4.0160  23470.30   904.462  23830.56   1284.01  23115.50   1274.25  209.279 5.6646  206.108 5.7081  3.171173       8.041774  
1 1 1 -7  50  17 o 43.028  4.1114  1014.87    189.274  814.684    281.351  1180.38    255.815  38.010  7.0950  46.285  5.1924  -8.274643      8.792059  
1 1 1 -7  50  18 o 109.028 3.0980  6451.90    365.839  6236.11    531.088  6646.76    504.671  107.047 4.5806  110.556 4.2146  -3.509781      6.224521  
1 1 1 -7  50  19 o 41.689  4.0989  954.889    182.683  967.284    278.608  945.540    241.958  41.544  6.3970  41.233  5.5595  0.3108101      8.475236  
1 1 1 -7  50  20 o 104.345 3.4303  5922.02    387.678  6558.11    686.619  5624.35    469.712  109.212 5.8257  101.568 4.2698  7.643982       7.222834  
1 1 1 -7  50  21 o 156.925 3.3650  13401.59   571.930  14424.29   1153.11  13067.91   658.656  161.686 6.5846  154.821 3.9279  6.864105       7.667161  
1 1 1 -7  50  22 o 156.307 4.8870  13396.44   827.346  0.0000     0.0000   13396.44   827.346  ?       ?       156.307 4.8870  0.000000       4.886963  
1 1 1 -7  50  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  50  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  50  25 o 58.499  6.0549  1930.94    378.088  0.0000     0.0000   1930.94    378.088  ?       ?       58.499  6.0549  0.000000       6.054929  
1 1 1 -7  50  26 f 55.410  5.8581  1738.84    346.241  0.0000     0.0000   1738.84    346.241  ?       ?       55.410  5.8581  0.000000       5.858138  
1 1 1 -7  50  27 o 34.031  7.5034  692.798    269.126  0.0000     0.0000   692.798    269.126  ?       ?       34.031  7.5034  0.000000       7.503356  
1 1 1 -7  50  28 o 50.660  2.2417  1401.40    123.003  1706.38    549.652  1385.32    126.204  51.305  10.250  50.355  2.3140  0.9499512      10.50789  
1 1 1 -7  50  29 o 18.140  7.6506  81.038     257.172  -64.4057   512.567  129.969    297.300  21.710  9.8900  19.903  8.2988  1.806618       12.91049  
1 1 1 -7  50  30 o 19.599  7.8520  172.125    253.290  355.452    528.100  117.353    288.659  25.997  10.964  19.298  8.1204  6.698742       13.64340  
1 1 1 -7  50  31 o 22.409  9.1150  267.819    347.070  0.0000     0.0000   267.819    347.070  ?       ?       22.409  9.1150  0.000000       9.114952  
1 1 1 -7  50  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  51  1  o 162.199 3.3645  14256.51   591.071  14656.13   836.849  13858.70   834.956  164.407 4.6995  159.867 4.8221  4.540436       6.733365  
1 1 1 -7  51  2  o 220.020 4.1177  26240.97   981.274  26781.96   1388.17  25700.66   1387.29  222.175 5.7687  217.635 5.8853  4.539581       8.241032  
1 1 1 -7  51  3  o 245.995 4.5728  32810.26   1218.36  33967.68   1723.91  31655.20   1722.15  250.156 6.3626  241.471 6.5847  8.685013       9.156426  
1 1 1 -7  51  4  o 170.797 3.4208  15808.78   632.813  15982.85   895.101  15634.83   894.766  171.677 4.8138  169.795 4.8653  1.881851       6.844295  
1 1 1 -7  51  5  o 135.513 3.0864  9950.55    453.002  9709.19    640.404  10192.26   640.880  133.819 4.4184  137.111 4.3155  -3.292297      6.176246  
1 1 1 -7  51  6  o 152.358 3.1971  12578.91   527.584  12303.18   746.660  12853.83   745.573  150.629 4.5766  153.967 4.4709  -3.338440      6.397965  
1 1 1 -7  51  7  o 264.328 5.4796  37910.07   1568.78  40525.17   2718.60  36604.54   1920.85  272.821 9.2002  259.600 6.8316  13.22101       11.45923  
1 1 1 -7  51  8  o 480.563 9.2699  125779.20  4824.98  124282.00  5908.03  128777.70  8360.88  476.990 11.436  483.572 15.963  -6.582397      19.63672  
1 1 1 -7  51  9  o 333.678 5.7991  60437.79   2095.83  59648.10   2963.59  61227.86   2964.31  331.095 8.2641  335.470 8.1583  -4.375946      11.61263  
1 1 1 -7  51  10 o 104.487 2.8322  5915.83    320.525  6171.87    464.497  5683.09    442.857  106.692 4.0196  102.381 3.9937  4.311104       5.666280  
1 1 1 -7  51  11 o 145.128 3.2080  11415.52   504.254  10947.71   707.948  11897.25   718.412  142.062 4.6010  148.101 4.4786  -6.039215      6.420873  
1 1 1 -7  51  12 o 206.984 4.0172  23234.19   900.589  22801.87   1272.90  23667.51   1274.35  204.899 5.7357  208.762 5.6360  -3.863464      8.041267  
1 1 1 -7  51  13 o 189.371 3.7664  19447.07   772.517  19285.28   1090.20  19610.23   1094.82  188.454 5.3411  190.037 5.3191  -1.583206      7.537895  
1 1 1 -7  51  14 o 159.980 3.4287  13878.19   594.104  13516.45   838.039  14243.67   842.358  157.774 4.9041  161.972 4.8016  -4.197556      6.863339  
1 1 1 -7  51  15 o 253.883 4.6503  35004.05   1278.74  34661.22   1808.11  35347.10   1808.71  252.276 6.6173  254.774 6.5546  -2.497345      9.314016  
1 1 1 -7  51  16 o 126.989 3.1284  8746.75    430.291  9056.73    611.981  8443.68    605.123  129.125 4.3758  124.669 4.4814  4.456001       6.263461  
1 1 1 -7  51  17 o 239.230 4.4435  31116.44   1151.35  31947.12   1632.68  30294.70   1623.88  241.940 6.2305  235.561 6.3647  6.379791       8.906667  
1 1 1 -7  51  18 o 147.623 3.4666  11837.91   554.284  11950.96   816.170  11741.13   755.135  148.066 5.0892  146.823 4.7485  1.243500       6.960540  
1 1 1 -7  51  19 o 53.550  3.4803  1565.51    200.765  1769.50    300.797  1401.64    269.606  56.729  4.9450  50.430  5.0019  6.298702       7.033649  
1 1 1 -7  51  20 o 88.541  2.9968  4260.31    287.390  4537.23    419.814  4016.10    394.250  91.213  4.2494  85.816  4.2416  5.396835       6.004067  
1 1 1 -7  51  21 o 101.855 3.0600  5642.16    337.583  5845.21    677.639  5575.13    389.335  102.852 6.1104  101.174 3.5529  1.678421       7.068254  
1 1 1 -7  51  22 o 3.5148  1.6820  -25.5540   18.175   382.237    27.538   -340.2661  24.192   26.561  0.9572  ?       ?       0.000000       0.9572495 
1 1 1 -7  51  23 o 40.067  8.3919  938.656    352.514  1288.94    468.450  481.330    535.264  46.699  9.5828  31.382  11.719  15.31734       15.13786  
1 1 1 -7  51  24 o 99.198  4.4734  5409.93    480.633  0.0000     0.0000   5409.93    480.633  ?       ?       99.198  4.4734  0.000000       4.473414  
1 1 1 -7  51  25 o 92.227  4.6026  4694.29    459.757  0.0000     0.0000   4694.29    459.757  ?       ?       92.227  4.6026  0.000000       4.602566  
1 1 1 -7  51  26 o 25.791  8.7818  372.571    293.660  0.0000     0.0000   372.571    293.660  ?       ?       25.791  8.7818  0.000000       8.781820  
1 1 1 -7  51  27 o 21.737  8.4920  200.187    289.440  0.0000     0.0000   200.187    289.440  ?       ?       21.737  8.4920  0.000000       8.491955  
1 1 1 -7  51  28 o 43.074  7.3068  1120.61    328.708  0.0000     0.0000   1120.61    328.708  ?       ?       43.074  7.3068  0.000000       7.306796  
1 1 1 -7  51  29 o 23.208  8.9724  292.685    320.519  0.0000     0.0000   292.685    320.519  ?       ?       23.208  8.9724  0.000000       8.972367  
1 1 1 -7  51  30 o 30.897  8.6198  640.556    299.384  0.0000     0.0000   640.556    299.384  ?       ?       30.897  8.6198  0.000000       8.619768  
1 1 1 -7  51  31 o 20.820  8.7975  176.693    341.104  0.0000     0.0000   176.693    341.104  ?       ?       20.820  8.7975  0.000000       8.797525  
1 1 1 -7  51  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  52  1  o 132.586 3.1337  9525.47    450.009  8742.45    637.657  10302.40   635.169  126.977 4.6365  137.854 4.2540  -10.87738      6.292379  
1 1 1 -7  52  2  o 285.405 5.0130  44177.55   1549.65  44542.59   2192.02  43812.84   2191.04  286.374 7.0671  284.012 7.1227  2.362091       10.03376  
1 1 1 -7  52  3  o 191.068 3.7552  19786.92   777.135  20834.15   1100.28  18744.42   1097.79  195.985 5.1833  185.881 5.4527  10.10429       7.523256  
1 1 1 -7  52  4  o 415.591 7.1596  93822.21   3222.73  89165.58   4557.34  98480.00   4557.91  404.458 10.403  425.189 9.8972  -20.73083      14.35905  
1 1 1 -7  52  5  o 438.428 7.4052  104447.60  3516.45  103348.90  4972.85  105546.40  4973.18  435.365 10.546  440.000 10.435  -4.635254      14.83622  
1 1 1 -7  52  6  o 431.822 7.2744  101320.30  3402.29  104399.90  4811.92  98241.63   4811.20  437.646 10.151  424.456 10.465  13.18994       14.57985  
1 1 1 -7  52  7  o 221.867 4.8217  26698.38   1158.67  26973.67   2005.21  26560.39   1419.67  222.674 8.3142  221.207 5.9254  1.467239       10.20960  
1 1 1 -7  52  8  o 207.409 4.5966  23330.16   1032.61  23367.48   1263.13  23254.99   1792.92  207.501 5.6203  206.773 8.0057  0.7280121      9.781533  
1 1 1 -7  52  9  o 250.920 4.6056  34147.95   1251.69  34158.22   1768.98  34137.65   1771.33  250.768 6.5130  250.692 6.5236  0.7673645E-01  9.218268  
1 1 1 -7  52  10 o 191.481 3.7776  19877.67   783.461  19516.85   1107.47  20239.16   1108.49  189.629 5.3921  193.113 5.2997  -3.484421      7.560523  
1 1 1 -7  52  11 o 346.943 6.0216  65382.29   2262.75  66779.85   3200.25  63985.13   3199.79  350.125 8.4390  342.677 8.6212  7.448578       12.06404  
1 1 1 -7  52  12 o 72.732  3.0490  2867.15    240.184  2946.95    331.819  2779.32    348.110  73.591  4.1802  71.431  4.5228  2.160828       6.158750  
1 1 1 -7  52  13 o 218.857 4.1573  25984.84   985.477  25440.77   1391.40  26532.49   1395.96  216.358 5.9376  220.965 5.8328  -4.607193      8.323274  
1 1 1 -7  52  14 o 154.052 3.3310  12868.75   555.798  13375.03   792.079  12377.69   780.092  156.956 4.6593  150.982 4.7704  5.974457       6.668225  
1 1 1 -7  52  15 o 184.832 3.7355  18537.00   747.811  18680.84   1059.81  18394.37   1055.33  185.369 5.2786  183.940 5.2972  1.429321       7.478229  
1 1 1 -7  52  16 o 79.338  3.0993  3414.50    266.324  2880.57    379.786  3931.08    373.569  72.624  4.8563  85.079  4.0540  -12.45483      6.325965  
1 1 1 -7  52  17 o 164.806 3.5018  14748.15   625.085  14163.44   887.508  15323.72   880.540  161.270 5.0810  167.788 4.8453  -6.517944      7.020888  
1 1 1 -7  52  18 f 101.055 2.9853  5544.00    326.750  5649.88    470.060  5445.01    454.520  101.887 4.2596  100.030 4.1952  1.856857       5.978591  
1 1 1 -7  52  19 o 50.754  3.7075  1408.91    202.395  1274.79    313.648  1504.61    264.938  47.822  6.2014  52.302  4.7280  -4.480309      7.798178  
1 1 1 -7  52  20 o 113.230 3.1401  6971.03    385.107  7368.23    560.349  6615.49    530.150  116.178 4.4531  110.085 4.4463  6.092934       6.292851  
1 1 1 -7  52  21 o 95.696  3.0833  4981.77    319.581  5359.87    634.275  4853.12    369.976  98.482  5.9746  94.372  3.6196  4.109901       6.985490  
1 1 1 -7  52  22 o 21.482  8.2685  181.182    271.263  452.775    416.180  -19.4242   357.679  29.511  10.432  20.383  8.8183  9.128563       13.65967  
1 1 1 -7  52  23 o 58.606  6.1327  1925.13    383.519  2094.25    513.040  1710.91    577.404  60.456  8.0339  53.614  10.318  6.842113       13.07673  
1 1 1 -7  52  24 o 34.398  1.0384  641.310    38.689   -254.0998  441.116  648.252    38.838   19.787  9.0747  34.583  1.0369  -14.79587      9.133698  
1 1 1 -7  52  25 o 54.407  4.3007  1640.43    251.368  1173.65    524.035  1779.93    286.478  43.317  11.115  56.558  4.7196  -13.24182      12.07510  
1 1 1 -7  52  26 o 36.368  7.8825  789.218    301.531  0.0000     0.0000   789.218    301.531  ?       ?       36.368  7.8825  0.000000       7.882498  
1 1 1 -7  52  27 o 22.456  8.5906  235.812    291.674  0.0000     0.0000   235.812    291.674  ?       ?       22.456  8.5906  0.000000       8.590599  
1 1 1 -7  52  28 o 28.915  8.9390  533.190    308.346  0.0000     0.0000   533.190    308.346  ?       ?       28.915  8.9390  0.000000       8.939034  
1 1 1 -7  52  29 o 36.513  8.6863  873.505    338.525  0.0000     0.0000   873.505    338.525  ?       ?       36.513  8.6863  0.000000       8.686315  
1 1 1 -7  52  30 o 25.077  9.4074  396.570    345.728  0.0000     0.0000   396.570    345.728  ?       ?       25.077  9.4074  0.000000       9.407352  
1 1 1 -7  52  31 o 26.045  10.817  442.140    502.329  0.0000     0.0000   442.140    502.329  ?       ?       26.045  10.817  0.000000       10.81732  
1 1 1 -7  52  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  53  1  o 468.931 7.8083  119519.50  3965.82  122018.50  5609.40  117022.10  5607.63  472.978 10.950  463.123 11.179  9.854889       15.64843  
1 1 1 -7  53  2  o 370.212 6.3408  74402.89   2542.51  71424.73   3595.41  77381.87   3595.90  362.252 9.1636  377.129 8.8033  -14.87723      12.70711  
1 1 1 -7  53  3  o 324.861 5.6733  57264.29   1996.21  55615.96   2823.12  58912.50   2823.01  319.819 8.1499  329.198 7.9174  -9.379150      11.36252  
1 1 1 -7  53  4  o 192.595 3.6866  20104.51   769.027  18229.90   1086.85  21984.06   1088.29  183.304 5.4743  201.326 4.9908  -18.02261      7.407860  
1 1 1 -7  53  5  o 278.816 4.9628  42164.70   1498.71  42453.33   2119.39  41876.01   2119.60  279.554 6.9996  277.641 7.0486  1.913330       9.933647  
1 1 1 -7  53  6  o 231.818 4.3003  29137.60   1079.72  28955.49   1526.73  29319.82   1527.19  230.952 6.1034  232.403 6.0671  -1.451721      8.605872  
1 1 1 -7  53  7  f 162.758 4.8218  14368.22   850.000  13515.83   1199.70  15227.41   1204.47  157.719 7.0230  167.437 6.6417  -9.717957      9.666115  
1 1 1 -7  53  8  o 340.310 5.7953  62864.32   2136.08  60500.25   3019.57  65232.48   3022.19  333.430 8.3612  346.284 8.0578  -12.85440      11.61200  
1 1 1 -7  53  9  o 258.037 5.0140  36125.32   1401.32  36539.47   1853.04  35572.11   2141.69  259.336 6.5971  255.727 7.7323  3.609222       10.16417  
1 1 1 -7  53  10 o 282.827 5.0611  43407.68   1550.36  43109.97   2193.23  43705.03   2191.87  281.562 7.1918  283.508 7.1380  -1.945251      10.13281  
1 1 1 -7  53  11 o 159.832 3.4108  13848.58   590.465  13447.75   834.825  14249.83   835.261  157.418 4.8963  162.053 4.7588  -4.635895      6.827887  
1 1 1 -7  53  12 o 372.009 6.8394  75274.72   2755.76  76387.34   3616.96  73735.16   4254.71  374.174 8.9248  367.025 10.703  7.149109       13.93579  
1 1 1 -7  53  13 o 159.069 3.5270  13721.23   607.668  14017.49   824.529  13369.01   899.042  160.691 4.7375  156.883 5.2910  3.807709       7.101955  
1 1 1 -7  53  14 o 35.975  4.6532  714.430    177.066  838.546    244.723  578.070    256.509  38.812  6.0163  31.924  7.5389  6.887348       9.645283  
1 1 1 -7  53  15 o 138.651 3.2332  10427.30   485.539  11118.62   685.586  9731.66    687.730  143.076 4.4241  133.825 4.7447  9.250443       6.487293  
1 1 1 -7  53  16 o 208.499 4.0448  23614.87   913.419  23265.32   1293.87  23962.16   1289.68  206.619 5.7817  209.713 5.6779  -3.094833      8.103430  
1 1 1 -7  53  17 o 199.137 3.9120  21552.74   843.774  21748.90   1195.69  21358.15   1190.88  199.686 5.5284  197.877 5.5565  1.809113       7.838260  
1 1 1 -7  53  18 o 168.582 3.5419  15447.71   646.717  15300.84   918.310  15592.23   910.926  167.457 5.0631  169.066 4.9746  -1.608963      7.097979  
1 1 1 -7  53  19 f 49.181  2.3518  1312.47    125.276  1372.28    324.027  1301.96    135.839  49.638  6.1593  48.906  2.5735  0.7316818      6.675269  
1 1 1 -7  53  20 o 21.624  6.9403  252.742    184.230  184.269    283.552  302.764    242.354  21.950  8.4523  23.923  7.9784  -1.973156      11.62312  
1 1 1 -7  53  21 o 97.190  4.3235  5163.00    455.123  5335.49    643.410  4990.27    643.871  98.181  6.0804  94.864  6.3024  3.317261       8.757365  
1 1 1 -7  53  22 o 31.724  9.1494  585.802    331.712  604.571    436.607  560.178    510.155  32.682  10.700  32.514  11.544  0.1682892      15.73972  
1 1 1 -7  53  23 o 45.825  4.6966  1165.95    229.814  1576.36    476.187  1041.34    262.395  51.992  8.7680  43.002  5.7802  8.990654       10.50180  
1 1 1 -7  53  24 o 63.323  3.8256  2205.34    261.147  1990.76    540.469  2270.69    298.277  58.256  8.8435  64.124  4.3198  -5.867985      9.842228  
1 1 1 -7  53  25 o 117.264 3.2090  7521.27    407.567  7512.62    768.297  7524.65    480.793  115.524 6.1625  117.061 3.7921  -1.536926      7.235763  
1 1 1 -7  53  26 o 20.236  7.4657  196.309    215.960  185.554    459.988  199.350    244.592  24.997  10.364  20.912  7.8984  4.084705       13.03076  
1 1 1 -7  53  27 o 43.063  5.5351  1063.04    252.189  1627.00    513.641  883.905    289.483  50.938  9.6634  38.484  7.2099  12.45411       12.05671  
1 1 1 -7  53  28 o 71.911  4.3216  2914.78    335.038  2690.81    616.383  3008.71    399.153  65.093  8.9819  72.501  5.1159  -7.407814      10.33670  
1 1 1 -7  53  29 o 50.040  6.5880  1511.13    348.378  0.0000     0.0000   1511.13    348.378  ?       ?       50.040  6.5880  0.000000       6.587975  
1 1 1 -7  53  30 o 28.353  9.5653  557.086    348.367  0.0000     0.0000   557.086    348.367  ?       ?       28.353  9.5653  0.000000       9.565342  
1 1 1 -7  53  31 o 19.971  9.2716  -94.1994   481.023  0.0000     0.0000   -94.1994   481.023  ?       ?       19.971  9.2716  0.000000       9.271586  
1 1 1 -7  53  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  54  1  f 198.573 3.8723  21373.74   832.829  21829.76   1179.04  20919.64   1176.56  200.591 5.4268  196.358 5.5322  4.232910       7.749540  
1 1 1 -7  54  2  o 430.628 7.4288  100767.10  3464.90  98389.95   4900.38  103143.70  4899.82  424.758 10.652  434.969 10.400  -10.21066      14.88715  
1 1 1 -7  54  3  o 272.880 4.8053  40384.04   1420.24  40526.51   2008.82  40241.66   2008.24  273.165 6.7896  272.201 6.8117  0.9642334      9.617589  
1 1 1 -7  54  4  o 269.628 4.8130  39428.45   1405.56  38988.60   1987.79  39868.26   1987.74  267.918 6.8501  270.933 6.7737  -3.014465      9.633670  
1 1 1 -7  54  5  o 216.240 4.1297  25350.80   967.224  24571.31   1368.15  26129.63   1367.57  212.764 5.9370  219.422 5.7544  -6.658234      8.268060  
1 1 1 -7  54  6  o 125.078 3.5334  8479.38    478.673  7442.42    804.576  9047.49    595.533  116.898 6.3787  129.176 4.2565  -12.27779      7.668507  
1 1 1 -7  54  7  o 56.930  3.5627  1763.56    218.570  1786.44    269.018  1719.13    374.909  57.230  4.3730  55.915  6.3004  1.315762       7.669291  
1 1 1 -7  54  8  o 157.584 3.4743  13459.93   592.992  13234.56   801.502  13732.49   881.419  156.200 4.7375  159.090 5.1153  -2.889847      6.972115  
1 1 1 -7  54  9  o 178.636 3.6133  17298.77   699.099  17995.59   990.518  16607.10   986.842  182.112 5.0217  174.933 5.2084  7.179550       7.235009  
1 1 1 -7  54  10 o 219.126 4.1408  26040.69   982.766  26009.78   1389.80  26071.60   1389.88  218.838 5.8635  219.099 5.8569  -0.2605896     8.287607  
1 1 1 -7  54  11 o 222.318 4.1925  26808.53   1009.53  26229.58   1427.14  27388.37   1428.24  219.725 5.9968  224.540 5.8727  -4.815857      8.393456  
1 1 1 -7  54  12 o 109.097 3.0039  6451.46    354.950  6512.67    495.059  6386.71    509.189  109.567 4.1716  108.495 4.3331  1.072243       6.014847  
1 1 1 -7  54  13 o 96.669  2.9836  5065.93    312.394  5219.88    435.725  4903.09    448.118  98.083  4.1016  95.049  4.3529  3.034401       5.980837  
1 1 1 -7  54  14 o 297.327 5.3044  48056.66   1708.21  49173.50   2416.26  46940.72   2415.30  300.217 7.4308  293.271 7.6038  6.946045       10.63183  
1 1 1 -7  54  15 o 123.897 3.1459  8326.58    422.163  7975.10    600.245  8670.62    593.864  121.144 4.5746  126.338 4.3399  -5.193893      6.305743  
1 1 1 -7  54  16 o 121.025 3.0486  7947.17    399.614  8467.97    564.137  7422.65    566.148  124.824 4.1727  116.835 4.4739  7.989014       6.117790  
1 1 1 -7  54  17 o 141.757 3.3605  10913.93   515.957  10459.54   715.633  11405.82   744.574  138.573 4.7681  144.709 4.7505  -6.135803      6.730669  
1 1 1 -7  54  18 o 133.180 3.2043  9636.73    462.220  10074.75   666.584  9231.07    641.492  135.954 4.5268  130.132 4.5513  5.821518       6.419225  
1 1 1 -7  54  19 o 26.947  6.5722  415.346    190.104  415.475    300.427  415.261    245.507  27.571  8.8641  27.094  7.8878  0.4768085      11.86550  
1 1 1 -7  54  20 o 80.498  4.3893  3548.96    381.246  3452.52    539.466  3645.19    538.861  78.907  6.3664  81.146  6.1775  -2.238853      8.870888  
1 1 1 -7  54  21 o 25.966  8.0541  377.733    250.086  527.602    354.051  228.500    353.299  30.525  9.6021  24.283  9.4111  6.241928       13.44502  
1 1 1 -7  54  22 o 42.726  4.9429  1015.90    224.520  1293.47    457.983  928.091    257.598  46.930  9.3386  40.538  6.0523  6.391506       11.12834  
1 1 1 -7  54  23 o 81.827  2.8042  3646.49    248.525  3383.67    607.991  3699.21    272.314  77.254  7.3550  82.374  3.0522  -5.120285      7.963158  
1 1 1 -7  54  24 o 28.304  7.0855  469.304    216.716  452.848    453.639  474.171    246.687  29.510  10.831  28.399  7.7869  1.110571       13.33938  
1 1 1 -7  54  25 o 39.253  5.5916  875.819    231.008  783.230    482.301  903.383    263.157  35.604  11.208  39.621  6.3465  -4.016602      12.88030  
1 1 1 -7  54  26 o 14.682  6.3962  -19.5148   190.833  136.556    315.195  -109.8301  239.773  21.207  8.6630  15.072  6.8260  6.135080       11.02914  
1 1 1 -7  54  27 o 17.207  7.0927  76.980     213.666  252.567    469.411  31.094     239.967  25.466  10.507  17.128  7.3133  8.338280       12.80136  
1 1 1 -7  54  28 o 18.583  7.5340  127.755    236.214  229.123    486.872  96.549     270.137  24.627  10.464  18.800  7.8803  5.827183       13.09927  
1 1 1 -7  54  29 o 22.323  7.8479  297.200    235.243  33.535     505.313  370.155    265.804  22.336  10.031  24.351  8.3543  -2.015409      13.05431  
1 1 1 -7  54  30 o 26.158  9.4476  459.197    343.190  0.0000     0.0000   459.197    343.190  ?       ?       26.158  9.4476  0.000000       9.447552  
1 1 1 -7  54  31 f 33.739  12.686  1038.31    629.350  0.0000     0.0000   1038.31    629.350  ?       ?       33.739  12.686  0.000000       12.68551  
1 1 1 -7  55  1  o 47.292  2.1484  1211.53    110.045  1135.19    127.763  1430.94    216.600  45.701  2.5918  51.228  3.9338  -5.526878      4.710854  
1 1 1 -7  55  2  o 141.635 3.1108  10870.48   477.218  10607.63   674.104  11134.56   675.675  139.867 4.4498  143.303 4.3532  -3.435669      6.225064  
1 1 1 -7  55  3  o 365.652 6.3804  72595.76   2526.87  68076.04   3573.50  77115.70   3573.58  353.562 9.3316  376.428 8.7650  -22.86618      12.80251  
1 1 1 -7  55  4  o 183.299 3.6677  18211.24   728.145  17941.41   1028.23  18482.66   1031.28  181.854 5.2203  184.581 5.1585  -2.726547      7.339049  
1 1 1 -7  55  5  f 181.036 3.6362  17764.58   712.991  17507.60   1009.53  18020.33   1007.11  179.640 5.1886  182.257 5.1018  -2.616898      7.276638  
1 1 1 -7  55  6  o 124.008 3.5099  8334.95    471.419  8344.15    799.493  8330.04    583.685  123.978 5.9539  123.943 4.3480  0.3489685E-01  7.372470  
1 1 1 -7  55  7  o 222.228 5.2697  26797.85   1268.39  26694.51   1427.84  27184.52   2762.07  221.739 5.9452  222.708 11.490  -0.9696655     12.93676  
1 1 1 -7  55  8  o 126.323 3.0336  8647.83    415.061  8639.05    584.739  8656.74    589.256  126.215 4.2774  126.343 4.3061  -0.1279526     6.069466  
1 1 1 -7  55  9  o 106.827 2.9440  6184.50    340.630  6291.78    484.936  6080.02    478.574  107.712 4.1567  105.883 4.1730  1.828651       5.890054  
1 1 1 -7  55  10 o 142.533 3.3267  11012.52   513.565  10692.14   703.141  11378.87   751.887  140.382 4.6245  144.810 4.7939  -4.428070      6.660842  
1 1 1 -7  55  11 o 45.206  3.6201  1115.19    175.762  1003.24    241.866  1240.46    255.855  42.651  5.3536  47.537  5.0464  -4.885677      7.357151  
1 1 1 -7  55  12 o 199.379 3.9080  21562.88   843.931  21526.44   1193.07  21599.38   1193.93  199.047 5.5340  199.385 5.5286  -0.3375702     7.822443  
1 1 1 -7  55  13 o 175.795 3.6157  16762.94   688.441  16976.79   972.682  16548.28   974.526  176.775 5.0802  174.521 5.1556  2.253510       7.237965  
1 1 1 -7  55  14 o 136.801 3.2219  10150.29   477.395  10288.02   659.318  9998.49    692.156  137.634 4.4228  135.657 4.7108  1.976578       6.461624  
1 1 1 -7  55  15 o 176.499 3.6377  16910.63   695.406  16910.13   982.471  16911.14   984.437  176.286 5.1455  176.290 5.1557  -0.3570557E-02 7.284118  
1 1 1 -7  55  16 o 154.093 3.3627  12891.16   561.230  13384.29   802.273  12418.57   785.393  156.823 4.7233  151.047 4.8007  5.775772       6.734691  
1 1 1 -7  55  17 o 148.732 3.3242  12016.20   535.503  12464.59   758.193  11569.88   756.441  151.266 4.6277  145.705 4.7933  5.561157       6.662677  
1 1 1 -7  55  18 o 99.350  3.1035  5362.62    333.960  5458.60    485.504  5276.43    460.100  100.060 4.4798  98.400  4.3170  1.660332       6.221390  
1 1 1 -7  55  19 o 36.620  6.7950  761.917    259.587  817.688    371.161  708.516    363.193  37.514  9.2041  34.964  9.3913  2.549789       13.14960  
1 1 1 -7  55  20 o 50.878  5.3678  1435.43    291.333  1576.96    414.869  1297.73    409.203  52.813  7.4604  47.598  8.2355  5.215240       11.11218  
1 1 1 -7  55  21 o 110.148 3.6038  6616.63    429.940  7135.20    735.961  6347.97    529.733  113.531 6.0065  107.667 4.5426  5.863472       7.530794  
1 1 1 -7  55  22 o 122.494 3.2633  8179.85    432.950  8019.75    871.170  8232.36    498.926  119.834 6.7394  122.757 3.7525  -2.922958      7.713667  
1 1 1 -7  55  23 o 84.774  3.3520  3924.51    307.780  3874.76    623.913  3940.51    353.829  82.815  7.0219  84.834  3.8508  -2.019302      8.008527  
1 1 1 -7  55  24 o 72.812  3.5699  2903.10    281.531  2343.14    572.257  3081.91    323.371  63.318  8.5641  74.812  4.0053  -11.49396      9.454447  
1 1 1 -7  55  25 o 65.993  3.8191  2401.07    271.812  2806.62    561.885  2277.17    310.569  69.654  7.5697  64.039  4.5063  5.614700       8.809474  
1 1 1 -7  55  26 o 30.571  6.9517  555.262    224.980  331.134    476.961  619.400    255.149  27.197  10.815  32.150  7.4698  -4.952868      13.14391  
1 1 1 -7  55  27 o 27.995  7.2963  478.648    223.484  -71.8417   483.355  628.329    252.042  21.716  9.7764  32.067  7.4062  -10.35103      12.26499  
1 1 1 -7  55  28 o 27.033  7.4866  459.021    226.715  124.861    499.291  545.815    254.460  23.492  10.287  29.301  7.8568  -5.808542      12.94434  
1 1 1 -7  55  29 o 48.235  2.4702  1282.21    128.619  1592.31    553.143  1264.48    132.243  46.963  11.058  47.869  2.5599  -0.9064713     11.35006  
1 1 1 -7  55  30 o 35.303  9.2412  869.143    357.485  0.0000     0.0000   869.143    357.485  ?       ?       35.303  9.2412  0.000000       9.241194  
1 1 1 -7  55  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  56  1  o 170.107 3.5219  15683.13   648.888  15617.88   919.370  15747.91   915.973  169.683 5.0024  170.390 4.9633  -0.7070465     7.046888  
1 1 1 -7  56  2  o 173.868 3.6895  16385.67   694.798  16154.88   1039.28  16572.19   934.275  172.542 5.5612  174.793 4.9349  -2.251785      7.435064  
1 1 1 -7  56  3  f 105.888 2.9140  6075.49    334.201  5899.02    471.483  6253.68    473.789  104.309 4.1733  107.401 4.0729  -3.092751      5.831350  
1 1 1 -7  56  4  o 112.461 2.9066  6853.15    354.050  6742.29    499.748  6964.86    501.664  111.516 4.1376  113.343 4.0865  -1.827316      5.815388  
1 1 1 -7  56  5  f 113.160 2.9255  6938.79    358.556  7057.71    507.585  6820.35    506.567  114.093 4.1075  112.156 4.1701  1.937004       5.853297  
1 1 1 -7  56  6  f 236.831 7.1366  30485.55   1830.62  30394.50   2253.82  30662.06   3138.19  236.254 8.8079  236.365 12.301  -0.1109009     15.12895  
1 1 1 -7  56  7  o 235.112 4.3546  29978.15   1108.89  29838.77   1568.87  30117.29   1567.55  234.396 6.1797  235.491 6.1458  -1.095047      8.715457  
1 1 1 -7  56  8  o 365.344 6.2721  72510.03   2481.91  71657.14   3509.20  73363.65   3510.70  362.607 8.9351  366.926 8.8338  -4.318451      12.56471  
1 1 1 -7  56  9  o 230.736 4.2876  28876.51   1071.52  29295.10   1516.08  28458.74   1514.62  232.226 6.0276  228.878 6.1099  3.348618       8.582642  
1 1 1 -7  56  10 o 169.431 3.5078  15563.59   643.729  15427.96   911.533  15698.52   909.211  168.596 4.9918  170.072 4.9359  -1.476166      7.020013  
1 1 1 -7  56  11 o 134.926 3.1686  9869.07    463.062  10347.38   639.205  9340.82    671.743  138.100 4.2734  131.184 4.7277  6.915894       6.372880  
1 1 1 -7  56  12 o 159.611 3.4083  13814.67   589.208  13808.71   833.800  13820.62   832.734  159.470 4.8274  159.540 4.8191  -0.6950378E-01 6.821100  
1 1 1 -7  56  13 o 242.125 4.7496  31843.56   1245.57  31388.10   1651.61  32444.25   1896.72  240.103 6.3509  243.928 7.1791  -3.825012      9.585108  
1 1 1 -7  56  14 o 263.919 4.8056  37860.41   1373.69  36982.24   1943.76  38736.65   1941.62  260.333 6.8936  266.484 6.7270  -6.151550      9.631941  
1 1 1 -7  56  15 f 292.913 5.6482  46755.55   1791.91  45929.73   2362.33  47874.54   2749.87  289.614 7.5310  295.187 8.6009  -5.573212      11.43203  
1 1 1 -7  56  16 o 187.410 3.7673  19086.00   764.698  18385.78   1081.07  19787.19   1081.82  183.601 5.4364  190.517 5.2426  -6.916153      7.552466  
1 1 1 -7  56  17 o 97.496  3.1074  5162.51    328.131  5051.11    475.808  5263.53    453.119  96.278  4.5628  98.321  4.2549  -2.043198      6.238896  
1 1 1 -7  56  18 o 42.778  5.6625  1019.11    255.915  1227.65    347.407  771.680    378.416  46.698  7.0916  36.498  9.4856  10.19971       11.84344  
1 1 1 -7  56  19 o 31.883  2.1561  554.065    74.018   976.334    326.602  531.202    75.996   41.373  7.5673  31.205  2.2639  10.16763       7.898736  
1 1 1 -7  56  20 o 79.149  4.4238  3434.98    377.720  3833.28    536.864  3044.56    531.528  83.209  5.9971  73.896  6.7143  9.313362       9.002630  
1 1 1 -7  56  21 o 53.097  4.6418  1556.44    264.266  1750.41    484.062  1474.08    315.418  55.244  8.3506  51.395  5.7657  3.849152       10.14769  
1 1 1 -7  56  22 o 27.765  1.0013  417.756    30.110   -118.6612  419.138  420.539    30.188   20.739  9.2370  27.857  1.0005  -7.118626      9.291069  
1 1 1 -7  56  23 o 47.189  4.6853  1237.97    236.301  1311.05    481.246  1214.74    271.253  46.734  9.8196  46.518  5.4894  0.2152214      11.24981  
1 1 1 -7  56  24 o 56.476  4.1356  1763.17    251.212  1989.92    520.206  1694.21    286.879  58.241  8.4967  55.143  4.8527  3.098373       9.784839  
1 1 1 -7  56  25 o 65.916  3.8167  2396.03    271.318  2365.56    556.824  2405.51    310.697  63.448  8.3018  65.860  4.3806  -2.411499      9.386629  
1 1 1 -7  56  26 o 33.916  6.4940  675.678    229.867  905.914    484.660  608.856    261.103  37.384  11.136  31.751  7.6770  5.633259       13.52617  
1 1 1 -7  56  27 o 40.476  2.5671  901.217    111.959  808.280    122.783  1359.69    272.711  38.216  2.9902  48.672  5.2566  -10.45597      6.047606  
1 1 1 -7  56  28 o 39.422  5.7679  917.244    238.991  1040.73    521.178  884.364    268.933  37.682  11.617  38.136  6.7583  -0.4536133     13.43978  
1 1 1 -7  56  29 o 34.461  6.6106  730.530    237.766  741.910    525.298  727.598    266.645  31.596  11.646  33.850  7.4727  -2.254484      13.83716  
1 1 1 -7  56  30 o 21.363  8.7883  216.496    327.236  0.0000     0.0000   216.496    327.236  ?       ?       21.363  8.7883  0.000000       8.788297  
1 1 1 -7  56  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  57  1  o 48.965  2.1809  1298.82    115.660  1072.17    242.092  1365.85    131.657  44.157  5.1591  50.211  2.4209  -6.053890      5.698904  
1 1 1 -7  57  2  o 252.325 4.5734  34527.89   1249.87  34690.54   1768.07  34365.42   1767.11  252.742 6.4588  251.552 6.4858  1.190125       9.153248  
1 1 1 -7  57  3  o 233.936 4.3274  29674.93   1096.46  29791.17   1550.55  29558.67   1550.72  234.246 6.1114  233.327 6.1362  0.9182434      8.660380  
1 1 1 -7  57  4  o 419.295 7.1833  95551.81   3262.22  92564.70   4613.56  98538.72   4613.40  411.898 10.341  425.078 10.020  -13.17999      14.39965  
1 1 1 -7  57  5  o 148.103 3.7188  11890.50   596.534  12141.73   1032.23  11764.53   730.954  149.516 6.3741  147.279 4.5823  2.237442       7.850240  
1 1 1 -7  57  6  o 160.038 5.2332  13898.75   907.118  13802.70   1172.21  14042.14   1432.22  159.373 6.7908  160.406 8.2718  -1.033112      10.70223  
1 1 1 -7  57  7  o 125.591 3.0562  8548.21    415.730  8252.60    590.136  8839.45    585.751  123.351 4.4171  127.669 4.2360  -4.318314      6.120025  
1 1 1 -7  57  8  o 277.382 4.9799  41753.35   1496.13  41869.73   2116.10  41637.02   2115.58  277.483 7.0409  276.708 7.0589  0.7751160      9.970104  
1 1 1 -7  57  9  o 155.876 3.3619  13171.25   567.590  13033.17   804.615  13308.02   800.787  154.977 4.7935  156.607 4.7210  -1.630295      6.727942  
1 1 1 -7  57  10 o 45.254  3.5558  1117.24    172.884  1241.53    242.666  989.136    246.365  47.591  4.7721  42.323  5.5048  5.268181       7.285269  
1 1 1 -7  57  11 o 82.159  2.9575  3658.98    263.176  3640.30    374.137  3677.28    370.267  81.799  4.2374  82.221  4.1715  -0.4212875     5.946157  
1 1 1 -7  57  12 o 301.385 5.3283  49363.06   1739.32  49535.17   2458.77  49190.67   2460.78  301.386 7.5323  300.327 7.5650  1.058929       10.67540  
1 1 1 -7  57  13 o 372.553 6.4268  75615.12   2593.29  73990.48   3665.91  77242.55   3669.04  367.378 9.2129  375.458 9.0224  -8.080170      12.89503  
1 1 1 -7  57  14 o 99.595  2.9750  5380.11    320.913  5215.54    448.361  5552.98    459.524  97.982  4.2249  101.104 4.1963  -3.122124      5.954702  
1 1 1 -7  57  15 o 144.164 3.2665  11280.76   510.041  10822.99   719.122  11744.14   723.512  141.037 4.7076  146.939 4.5461  -5.902573      6.544350  
1 1 1 -7  57  16 o 113.621 3.1088  7009.12    382.577  7082.63    562.196  6945.72    522.116  114.051 4.5511  112.980 4.2667  1.070610       6.238416  
1 1 1 -7  57  17 o 31.278  5.5507  550.548    181.154  751.155    257.903  355.182    254.511  36.413  6.7891  25.564  8.1524  10.84834       10.60910  
1 1 1 -7  57  18 o 55.608  4.8170  1701.41    287.254  1600.67    394.436  1815.18    419.169  53.456  6.9791  56.989  6.9339  -3.532860      9.838024  
1 1 1 -7  57  19 o 32.309  7.0008  598.535    237.907  684.739    321.521  494.226    353.676  34.357  8.6468  29.889  9.6185  4.467947       12.93379  
1 1 1 -7  57  20 o 71.638  3.3978  2795.54    263.640  3145.91    401.223  2529.31    349.743  75.597  4.9271  67.782  4.7948  7.815109       6.875057  
1 1 1 -7  57  21 o 71.689  3.9460  2816.65    305.218  2619.64    541.504  2908.38    369.506  68.092  7.4647  72.668  4.7203  -4.575928      8.831964  
1 1 1 -7  57  22 o 65.568  3.7026  2357.31    261.868  2190.44    535.460  2409.77    300.220  61.726  8.2131  66.177  4.2104  -4.451439      9.229458  
1 1 1 -7  57  23 o 95.269  3.3029  4958.34    340.810  5215.95    687.364  4874.37    392.447  96.246  6.6343  94.314  3.8418  1.931992       7.666392  
1 1 1 -7  57  24 o 70.122  3.6844  2704.19    278.849  2709.55    571.937  2702.51    319.380  68.393  7.8640  69.929  4.2368  -1.535980      8.932663  
1 1 1 -7  57  25 o 25.789  7.4634  391.567    220.386  -136.5142  462.358  546.822    250.698  21.217  9.5557  30.266  7.6452  -9.049799      12.23765  
1 1 1 -7  57  26 o 25.782  7.5451  398.273    224.118  371.802    477.790  405.741    253.768  27.567  10.868  26.058  8.1183  1.509241       13.56528  
1 1 1 -7  57  27 o 50.608  4.6013  1453.87    249.460  1334.46    530.939  1487.70    282.596  43.891  11.147  50.880  5.2011  -6.989048      12.30099  
1 1 1 -7  57  28 o 63.004  4.0386  2235.94    274.141  2232.97    580.519  2236.79    311.004  58.255  9.5302  62.650  4.6157  -4.395542      10.58914  
1 1 1 -7  57  29 o 16.176  6.9677  33.817     221.342  -28.7631   490.469  49.821     248.036  21.296  9.6909  17.191  7.3902  4.104816       12.18727  
1 1 1 -7  57  30 o 24.256  8.8762  381.415    304.370  0.0000     0.0000   381.415    304.370  ?       ?       24.256  8.8762  0.000000       8.876233  
1 1 1 -7  57  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  58  1  o 74.377  2.7566  2997.39    222.066  2989.99    318.348  3004.40    309.918  74.157  3.9780  74.344  3.8621  -0.1872635     5.544419  
1 1 1 -7  58  2  o 121.840 2.9056  8044.16    383.438  7697.83    541.628  8392.13    542.900  119.150 4.1970  124.414 4.0288  -5.263367      5.817738  
1 1 1 -7  58  3  o 140.853 3.1790  10751.94   484.989  10419.12   684.707  11087.05   687.054  138.604 4.5610  142.983 4.4365  -4.379395      6.362775  
1 1 1 -7  58  4  o 306.786 5.4107  51078.18   1797.87  49909.50   2542.84  52246.38   2542.31  302.917 7.7504  309.958 7.5728  -7.041107      10.83589  
1 1 1 -7  58  5  o 263.866 5.9787  37807.34   1708.67  35990.71   2700.78  39019.71   2206.35  256.885 9.7069  267.842 7.6055  -10.95609      12.33154  
1 1 1 -7  58  6  o 258.206 5.4253  36189.21   1517.27  36685.29   1857.24  35193.73   2630.91  259.826 6.5996  254.012 9.5627  5.813751       11.61894  
1 1 1 -7  58  7  o 184.105 3.6838  18376.32   734.577  18754.88   1040.52  18000.17   1037.19  185.892 5.1679  182.106 5.2585  3.785675       7.372900  
1 1 1 -7  58  8  o 277.734 4.9732  41862.21   1496.02  41590.08   2114.81  42134.81   2116.58  276.532 7.0608  278.344 7.0207  -1.811798      9.957211  
1 1 1 -7  58  9  o 176.363 3.7351  16866.43   713.479  17141.01   963.338  16532.82   1061.87  177.701 5.0052  174.466 5.6194  3.234238       7.525238  
1 1 1 -7  58  10 o 142.076 3.2271  10943.25   496.588  11136.50   704.401  10752.31   700.182  143.249 4.5400  140.753 4.5929  2.496124       6.458030  
1 1 1 -7  58  11 o 138.520 3.2024  10403.60   480.461  10370.66   680.376  10436.37   678.576  138.217 4.5448  138.657 4.5184  -0.4391479     6.408706  
1 1 1 -7  58  12 o 115.574 3.0367  7242.65    380.133  6967.31    539.335  7514.45    535.860  113.279 4.3958  117.656 4.2050  -4.376755      6.083202  
1 1 1 -7  58  13 o 124.395 3.0742  8392.74    414.193  8203.68    586.186  8581.25    585.329  122.889 4.4041  125.694 4.2995  -2.805237      6.154767  
1 1 1 -7  58  14 o 76.977  2.6344  3213.21    219.643  2939.46    358.292  3378.02    278.007  73.391  4.5295  78.898  3.2532  -5.507774      5.576769  
1 1 1 -7  58  15 o 142.569 3.3287  11036.12   514.012  11221.70   735.585  10859.02   718.560  143.574 4.7303  141.240 4.6972  2.334061       6.666236  
1 1 1 -7  58  16 f 193.263 3.8663  20313.27   809.302  20728.11   1147.55  19902.78   1141.52  194.822 5.4383  190.880 5.5215  3.942581       7.749942  
1 1 1 -7  58  17 o 206.008 5.6756  23232.32   1266.38  23183.78   1787.72  23281.22   1794.16  204.677 8.0642  205.100 8.0766  -0.4229279     11.41324  
1 1 1 -7  58  18 o 98.507  4.2035  5291.04    448.484  5157.48    625.922  5431.96    642.926  96.736  6.0036  99.285  6.0070  -2.548874      8.492745  
1 1 1 -7  58  19 o 58.544  3.6682  1874.56    231.423  2084.80    344.642  1701.93    312.305  61.455  5.2274  55.475  5.2605  5.979389       7.416148  
1 1 1 -7  58  20 o 34.625  5.4855  674.881    198.863  481.024    309.437  811.284    259.562  29.109  8.9475  37.765  6.5851  -8.656288      11.10952  
1 1 1 -7  58  21 o 63.889  4.0799  2241.45    280.851  2791.75    423.637  1809.94    375.138  70.937  5.5583  56.847  6.1930  14.09053       8.321491  
1 1 1 -7  58  22 o 80.683  3.3877  3554.25    296.043  4486.18    599.645  3253.90    340.422  89.592  6.2181  76.949  4.0993  12.64231       7.447726  
1 1 1 -7  58  23 o 50.732  4.4952  1427.72    244.446  1597.27    504.777  1375.77    279.392  51.827  9.3357  49.569  5.2854  2.257740       10.72807  
1 1 1 -7  58  24 o 78.163  3.4947  3347.61    295.861  4468.86    602.694  2991.63    339.594  88.956  6.2960  73.559  4.2809  15.39783       7.613535  
1 1 1 -7  58  25 o 62.167  3.9662  2138.77    265.667  2768.58    553.589  1950.32    302.815  68.969  7.5333  59.069  4.7740  9.900166       8.918591  
1 1 1 -7  58  26 o 45.208  5.0622  1162.31    243.616  1200.56    510.449  1151.02    277.226  42.560  10.995  44.624  5.8789  -2.064766      12.46830  
1 1 1 -7  58  27 o 41.676  5.5035  1011.80    242.347  511.045    518.145  1152.03    274.187  28.951  11.348  44.311  5.8566  -15.36023      12.76979  
1 1 1 -7  58  28 o 35.817  6.3591  775.265    237.656  974.051    517.002  722.007    267.605  36.242  11.626  33.885  7.4906  2.356899       13.82992  
1 1 1 -7  58  29 o 19.802  7.8669  186.511    252.144  0.0000     0.0000   186.511    252.144  ?       ?       19.802  7.8669  0.000000       7.866927  
1 1 1 -7  58  30 o 22.663  9.6834  228.920    421.207  0.0000     0.0000   228.920    421.207  ?       ?       22.663  9.6834  0.000000       9.683381  
1 1 1 -7  58  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  59  1  o 165.613 3.5978  14867.63   645.357  14585.29   958.144  15102.08   873.115  163.936 5.3962  166.850 4.8314  -2.914276      7.243010  
1 1 1 -7  59  2  o 280.828 5.0199  42788.54   1526.88  42839.09   2159.71  42738.02   2158.95  280.733 7.1028  280.401 7.1087  0.3322144      10.04910  
1 1 1 -7  59  3  o 199.038 4.3135  21484.05   929.899  20939.96   1314.91  22028.43   1315.24  196.358 6.1827  201.411 6.0291  -5.052826      8.635722  
1 1 1 -7  59  4  o 347.989 6.4683  65790.42   2437.96  65699.91   3204.58  65914.78   3756.39  347.342 8.5181  347.552 9.9788  -0.2097168     13.12004  
1 1 1 -7  59  5  o 87.561  3.4998  4156.06    331.915  4033.88    527.905  4235.93    426.838  86.007  5.6992  88.257  4.4799  -2.249985      7.249197  
1 1 1 -7  59  6  o 197.779 4.4483  21218.07   952.905  20922.95   1165.56  21812.91   1654.76  196.317 5.4816  200.218 7.6306  -3.901184      9.395464  
1 1 1 -7  59  7  o 210.584 4.0253  24048.56   918.111  23116.12   1297.85  24982.62   1298.96  206.307 5.8082  214.497 5.5912  -8.189957      8.062046  
1 1 1 -7  59  8  o 130.135 3.0931  9179.35    435.966  9022.88    618.039  9334.32    615.069  128.962 4.4247  131.174 4.3292  -2.211868      6.190299  
1 1 1 -7  59  9  o 29.257  4.9913  477.686    152.492  451.330    215.035  504.349    216.283  28.248  7.0506  29.856  6.8357  -1.608778      9.820251  
1 1 1 -7  59  10 o 293.024 5.2045  46638.97   1651.77  46532.48   2337.46  46745.19   2334.46  292.246 7.3846  292.919 7.3581  -0.6734619     10.42469  
1 1 1 -7  59  11 o 274.545 4.9359  40944.98   1467.75  40734.44   2075.65  41155.56   2075.76  273.413 7.0092  274.831 6.9733  -1.418304      9.887152  
1 1 1 -7  59  12 o 64.781  3.1276  2275.94    219.444  2352.05    313.723  2203.02    307.065  65.659  4.4375  63.529  4.4915  2.129787       6.313892  
1 1 1 -7  59  13 o 29.500  5.0494  486.586    155.534  442.799    215.331  534.350    224.896  27.938  7.1011  30.682  6.9310  -2.744761      9.922901  
1 1 1 -7  59  14 o 168.753 3.5593  15462.92   650.559  15063.31   924.588  15854.75   915.538  166.320 5.1325  170.666 4.9529  -4.345596      7.132615  
1 1 1 -7  59  15 o 174.239 3.6179  16496.02   682.766  16625.86   967.225  16367.05   963.938  174.634 5.1136  173.264 5.1365  1.369705       7.247980  
1 1 1 -7  59  16 o 47.610  5.4626  1254.49    276.588  1313.91    399.524  1199.79    383.289  48.199  7.9288  45.998  7.9829  2.201050       11.25133  
1 1 1 -7  59  17 o 150.563 4.7757  12376.25   778.799  11913.67   1105.32  12832.31   1097.50  147.066 6.9392  152.741 6.6340  -5.675446      9.600122  
1 1 1 -7  59  18 o 119.431 3.1536  7755.70    407.941  7793.12    589.323  7721.27    565.262  119.460 4.5547  118.943 4.3877  0.5163193      6.324369  
1 1 1 -7  59  19 o 29.565  5.9945  498.192    185.389  453.269    268.606  539.059    256.194  28.192  8.2629  30.537  7.7368  -2.344400      11.31957  
1 1 1 -7  59  20 o 29.796  6.4023  509.456    200.458  761.955    295.284  293.620    273.006  36.276  7.7506  24.081  8.4550  12.19584       11.46987  
1 1 1 -7  59  21 o 83.382  3.0471  3787.34    275.191  3558.22    354.601  4134.27    436.351  80.534  4.0786  86.657  4.6662  -6.122276      6.197466  
1 1 1 -7  59  22 o 76.017  3.4531  3157.32    284.307  3810.99    565.239  2935.94    328.947  82.416  6.3819  73.040  4.1754  9.375984       7.626480  
1 1 1 -7  59  23 o 116.158 3.2163  7372.76    404.651  7671.12    761.688  7255.44    477.627  117.040 6.0291  115.015 3.8341  2.025719       7.144938  
1 1 1 -7  59  24 o 98.136  3.3234  5272.10    353.252  5393.73    705.258  5231.36    408.142  97.460  6.7223  97.573  3.8620  -0.1137085     7.752663  
1 1 1 -7  59  25 o 21.903  7.6306  257.932    222.160  336.234    471.534  235.592    251.865  27.239  10.778  21.834  8.0611  5.404629       13.45912  
1 1 1 -7  59  26 o 65.668  2.7976  2365.25    198.978  2226.88    254.650  2582.19    318.847  63.306  3.7304  67.877  4.3601  -4.571281      5.738099  
1 1 1 -7  59  27 o 75.921  3.6638  3208.41    301.279  2674.10    627.863  3368.24    343.395  64.464  9.2582  77.422  4.1098  -12.95839      10.12935  
1 1 1 -7  59  28 o 65.607  3.9841  2426.09    281.767  2449.55    600.353  2419.46    319.094  60.916  9.4020  65.131  4.5520  -4.215157      10.44593  
1 1 1 -7  59  29 o 15.189  6.8881  -71.9854   245.080  0.0000     0.0000   -71.9854   245.080  ?       ?       15.189  6.8881  0.000000       6.888050  
1 1 1 -7  59  30 o 21.332  9.3820  129.686    419.317  0.0000     0.0000   129.686    419.317  ?       ?       21.332  9.3820  0.000000       9.382033  
1 1 1 -7  60  1  o 139.287 3.2370  10515.14   488.341  10561.29   674.549  10464.32   707.893  139.542 4.4631  138.888 4.7058  0.6540527      6.485675  
1 1 1 -7  60  2  o 89.509  2.8084  4341.51    272.272  4307.12    383.497  4376.46    386.624  89.126  3.9727  89.841  3.9732  -0.7146378     5.618616  
1 1 1 -7  60  3  o 285.008 5.0423  44078.54   1556.52  43561.75   2201.22  44595.36   2201.29  283.041 7.1803  286.393 7.0965  -3.351746      10.09543  
1 1 1 -7  60  4  o 217.117 4.7537  25574.87   1117.87  24383.09   1937.90  26169.19   1368.50  211.583 8.4563  219.532 5.7554  -7.949265      10.22909  
1 1 1 -7  60  5  f 42.594  5.0812  998.537    229.790  913.214    307.811  1105.95    345.363  40.361  7.3105  44.499  7.4274  -4.138500      10.42163  
1 1 1 -7  60  6  o 252.627 4.6030  34624.75   1259.49  34514.93   1781.67  34734.45   1780.71  251.996 6.5277  252.800 6.5035  -0.8034821     9.214470  
1 1 1 -7  60  7  o 60.600  3.1601  1996.00    206.700  2120.01    291.703  1870.93    292.936  62.363  4.3458  58.535  4.6591  3.828251       6.371231  
1 1 1 -7  60  8  o 18.183  6.1058  167.975    141.937  35.251     204.736  290.792    196.948  16.656  6.9109  23.150  7.1420  -6.493624      9.938228  
1 1 1 -7  60  9  o 344.412 5.9915  64486.92   2235.05  63391.64   3160.42  65582.78   3161.26  340.792 8.5622  346.677 8.4191  -5.884705      12.00800  
1 1 1 -7  60  10 o 187.473 3.8920  19068.29   790.285  18734.26   1060.15  19486.06   1185.61  185.683 5.2714  189.308 5.7823  -3.624802      7.824511  
1 1 1 -7  60  11 o 78.737  2.9732  3361.48    253.555  3318.91    362.635  3402.19    354.660  78.067  4.3054  79.058  4.1564  -0.9910660     5.984362  
1 1 1 -7  60  12 o 229.182 4.2829  28529.54   1063.13  28920.91   1502.70  28137.33   1504.30  230.414 6.0213  227.251 6.1117  3.162994       8.579566  
1 1 1 -7  60  13 o 109.261 2.9887  6476.16    353.686  6777.10    507.133  6191.15    493.521  111.678 4.1926  106.735 4.2690  4.943665       5.983514  
1 1 1 -7  60  14 o 59.525  2.4631  1921.54    158.804  2089.12    307.646  1860.67    185.416  61.786  4.6308  58.558  2.9234  3.228275       5.476394  
1 1 1 -7  60  15 o 206.178 5.6739  23226.28   1267.06  22042.79   1791.63  24410.46   1792.16  199.864 8.2764  210.516 7.8600  -10.65248      11.41396  
1 1 1 -7  60  16 o 72.463  3.1188  2852.57    244.779  2719.80    450.948  2908.03    291.454  70.214  5.9869  73.025  3.6970  -2.810371      7.036348  
1 1 1 -7  60  17 o 127.401 3.1924  8823.33    440.519  8505.59    625.238  9136.54    620.762  124.827 4.6245  129.417 4.4286  -4.589516      6.403007  
1 1 1 -7  60  18 o 97.696  2.8991  5187.43    306.766  5257.69    464.325  5133.00    408.653  98.133  4.3685  97.044  3.8879  1.088997       5.848080  
1 1 1 -7  60  19 o 137.454 3.3560  10289.50   499.639  10949.11   738.725  9733.34    678.326  141.371 4.8245  133.331 4.6972  8.039749       6.733455  
1 1 1 -7  60  20 o 120.573 3.2962  7921.49    430.462  8160.22    643.936  7728.62    578.791  121.934 4.8758  118.783 4.4988  3.151039       6.634201  
1 1 1 -7  60  21 o 92.547  3.5507  4677.14    355.920  5277.55    545.368  4231.69    469.748  97.726  5.1708  87.547  4.9745  10.17878       7.175162  
1 1 1 -7  60  22 o 90.319  3.3024  4455.03    323.053  4334.00    642.339  4496.00    373.763  87.660  6.8191  90.609  3.8085  -2.949059      7.810559  
1 1 1 -7  60  23 o 86.626  3.3445  4104.92    313.799  4987.95    628.264  3811.41    362.215  94.169  6.1944  83.287  4.0153  10.88125       7.381907  
1 1 1 -7  60  24 o 42.400  5.2445  1014.69    235.715  1042.94    465.381  1004.94    273.375  40.904  10.462  41.859  6.2187  -0.9553413     12.17112  
1 1 1 -7  60  25 o 48.901  4.7573  1344.27    248.782  1124.58    503.121  1415.37    286.222  41.657  10.991  49.943  5.3760  -8.285725      12.23573  
1 1 1 -7  60  26 o 35.024  6.4471  730.804    235.554  1052.18    483.984  631.047    269.645  39.314  10.957  31.860  7.8621  7.454044       13.48564  
1 1 1 -7  60  27 o 32.521  6.9819  650.108    238.577  369.514    516.787  726.107    268.952  26.807  11.038  34.137  7.4807  -7.330521      13.33391  
1 1 1 -7  60  28 o 53.228  2.7198  1565.41    156.277  1697.37    570.909  1554.72    162.483  48.706  11.073  52.998  2.8409  -4.291965      11.43152  
1 1 1 -7  60  29 f 18.534  7.9309  86.192     283.301  0.0000     0.0000   86.192     283.301  ?       ?       18.534  7.9309  0.000000       7.930897  
1 1 1 -7  60  30 o 34.134  11.976  977.524    547.723  0.0000     0.0000   977.524    547.723  ?       ?       34.134  11.976  0.000000       11.97637  
1 1 1 -7  61  1  o 156.561 3.3917  13286.38   575.132  13429.76   814.666  13143.92   812.060  157.331 4.7807  155.646 4.8170  1.685516       6.786697  
1 1 1 -7  61  2  o 258.658 4.7349  36297.59   1326.49  35536.52   1876.41  37057.91   1875.48  255.690 6.7755  261.126 6.6312  -5.436295      9.480535  
1 1 1 -7  61  3  o 113.761 2.9582  7013.58    364.494  7148.06    515.525  6879.15    515.419  114.807 4.1458  112.624 4.2253  2.183243       5.919554  
1 1 1 -7  61  4  o 139.637 3.6173  10570.99   547.092  10126.98   949.739  10791.49   669.293  136.513 6.4233  141.050 4.3810  -4.537262      7.775119  
1 1 1 -7  61  5  o 127.365 3.5311  8794.47    487.110  8700.47    593.326  8988.82    853.153  126.648 4.3254  128.625 6.1239  -1.977112      7.497421  
1 1 1 -7  61  6  o 266.076 5.1621  38434.21   1487.67  38000.75   1966.22  39014.61   2275.21  264.323 6.8680  267.648 7.8485  -3.325745      10.42917  
1 1 1 -7  61  7  o 271.453 4.8502  39997.54   1426.01  40805.66   2017.84  39191.26   2015.53  273.877 6.8024  268.381 6.9337  5.496063       9.713346  
1 1 1 -7  61  8  o 213.377 4.0662  24699.80   939.740  25816.28   1330.51  23588.41   1327.48  217.971 5.6357  208.322 5.8833  9.648590       8.147079  
1 1 1 -7  61  9  o 128.106 3.1032  8897.50    430.578  8984.31    612.787  8812.84    605.142  128.657 4.3975  127.424 4.3847  1.232811       6.209952  
1 1 1 -7  61  10 o 263.420 4.7590  37690.78   1357.79  36368.17   1919.40  39015.61   1921.01  258.343 6.8596  267.636 6.6270  -9.292999      9.537849  
1 1 1 -7  61  11 o 321.605 5.9793  56318.12   2082.77  56045.72   2740.88  56690.34   3204.00  320.178 7.9037  321.475 9.2018  -1.297211      12.13019  
1 1 1 -7  61  12 o 189.131 3.7596  19420.73   770.160  18696.01   1087.54  20149.82   1090.81  185.317 5.4183  192.421 5.2339  -7.103973      7.533341  
1 1 1 -7  61  13 o 42.145  4.4761  976.714    201.196  1155.41    302.591  835.105    269.367  45.580  6.2975  38.548  6.6946  7.032742       9.191105  
1 1 1 -7  61  14 o 16.752  6.8415  56.576     196.518  -73.7827   259.431  232.078    301.018  16.681  7.3565  23.493  8.7849  -6.811512      11.45832  
1 1 1 -7  61  15 o 108.584 4.0561  6416.49    477.026  6241.88    688.677  6577.53    661.384  106.627 5.9874  109.559 5.5922  -2.931519      8.192818  
1 1 1 -7  61  16 o 53.236  4.7297  1558.48    269.872  1718.53    366.048  1367.90    399.448  55.640  6.1784  49.192  7.7539  6.447308       9.914406  
1 1 1 -7  61  17 o 40.719  4.6528  916.914    201.517  771.846    309.230  1024.00    265.679  36.619  8.0187  42.814  5.8849  -6.194927      9.946492  
1 1 1 -7  61  18 o 44.065  2.1110  1053.64    100.751  944.186    279.882  1069.94    107.991  40.883  6.5413  44.341  2.2561  -3.458206      6.919381  
1 1 1 -7  61  19 o 109.111 3.1964  6481.20    377.751  6492.44    555.843  6471.56    514.940  108.871 4.7138  108.783 4.3705  0.8877563E-01  6.428102  
1 1 1 -7  61  20 o 100.854 3.3134  5544.25    361.942  5792.78    551.185  5355.83    479.911  102.680 4.9561  98.861  4.4819  3.819168       6.682132  
1 1 1 -7  61  21 o 80.692  3.6591  3558.91    319.800  3499.96    482.684  3605.03    426.956  79.329  5.6548  80.777  4.9032  -1.448486      7.484530  
1 1 1 -7  61  22 o 55.358  4.1108  1690.91    244.716  2153.79    492.554  1539.21    281.981  61.269  7.5844  52.562  5.0139  8.707535       9.091920  
1 1 1 -7  61  23 o 34.396  6.2021  681.621    222.555  575.423    449.144  716.181    256.222  31.587  10.859  35.026  6.9987  -3.439672      12.91854  
1 1 1 -7  61  24 f 50.247  4.5726  1408.86    246.128  1189.34    487.105  1484.13    285.216  43.596  10.452  51.365  5.1982  -7.769566      11.67289  
1 1 1 -7  61  25 o 28.223  2.3762  437.808    71.960   405.229    74.706   856.692    267.875  27.109  2.5752  38.107  6.7367  -10.99759      7.212094  
1 1 1 -7  61  26 o 47.603  2.4981  1245.02    128.352  1100.76    499.503  1255.22    132.811  39.815  11.143  47.777  2.5761  -7.962261      11.43720  
1 1 1 -7  61  27 o 39.336  5.8774  914.746    242.724  887.959    508.067  922.668    276.293  35.044  11.545  38.988  6.7897  -3.944012      13.39389  
1 1 1 -7  61  28 o 30.885  7.1415  599.862    234.125  575.974    504.287  606.426    264.341  29.061  11.249  30.619  7.9135  -1.557899      13.75370  
1 1 1 -7  61  29 o 20.818  8.3679  213.287    288.706  0.0000     0.0000   213.287    288.706  ?       ?       20.818  8.3679  0.000000       8.367862  
1 1 1 -7  61  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  62  1  o 176.289 3.5785  16848.35   683.285  16921.91   967.540  16775.16   965.086  176.578 5.0590  175.810 5.0682  0.7680206      7.160966  
1 1 1 -7  62  2  o 254.475 4.6399  35133.57   1278.86  33451.50   1808.01  36817.75   1809.14  248.060 6.7294  260.287 6.4173  -12.22719      9.298697  
1 1 1 -7  62  3  o 156.665 3.3557  13304.80   569.409  12898.28   807.104  13707.65   803.441  154.173 4.8334  158.947 4.6669  -4.774460      6.718781  
1 1 1 -7  62  4  o 69.854  4.1437  2655.92    312.112  2671.60    433.051  2638.96    450.237  69.896  5.7719  69.432  6.0474  0.4643631      8.359795  
1 1 1 -7  62  5  o 105.443 3.4049  6027.69    388.856  5773.66    475.570  6540.11    675.451  103.166 4.2561  109.578 5.7109  -6.412186      7.122399  
1 1 1 -7  62  6  o 198.989 4.0726  21478.68   877.746  21620.85   1175.68  21299.64   1319.35  199.518 5.4405  197.950 6.1537  1.568130       8.213778  
1 1 1 -7  62  7  o 213.046 4.0829  24623.46   942.136  24982.34   1332.42  24264.61   1332.35  214.410 5.7375  211.296 5.8218  3.113205       8.173887  
1 1 1 -7  62  8  o 237.436 4.4064  30598.61   1133.18  30253.21   1603.38  30943.31   1601.74  235.821 6.2774  238.509 6.2004  -2.687607      8.823321  
1 1 1 -7  62  9  o 110.534 2.9484  6623.87    352.980  7025.87    500.075  6224.70    498.307  113.782 4.0578  107.084 4.2964  6.697258       5.909707  
1 1 1 -7  62  10 o 170.573 3.5404  15785.18   654.085  15391.92   927.132  16174.86   922.913  168.272 5.0870  172.517 4.9392  -4.245117      7.090377  
1 1 1 -7  62  11 o 141.152 3.2251  10808.79   493.066  10829.45   699.904  10788.44   694.727  141.161 4.5778  140.896 4.5524  0.2647552      6.456058  
1 1 1 -7  62  12 o 150.579 3.3473  12305.93   545.927  12019.46   770.530  12594.69   773.593  148.646 4.7859  152.175 4.6935  -3.528351      6.703300  
1 1 1 -7  62  13 o 128.903 4.3783  9038.49    611.272  8891.49    858.094  9189.94    870.989  127.565 6.2106  129.690 6.2006  -2.125092      8.776056  
1 1 1 -7  62  14 o 84.821  4.0987  3914.21    376.549  3986.65    521.652  3835.40    544.099  85.238  5.6830  83.524  6.0556  1.713989       8.304618  
1 1 1 -7  62  15 o 82.692  4.2555  3734.04    379.846  3885.76    540.864  3586.38    533.577  84.026  5.9820  80.669  6.1533  3.356979       8.581810  
1 1 1 -7  62  16 o 129.855 3.2290  9166.18    454.146  9394.17    652.911  8952.48    632.113  131.208 4.5943  128.094 4.5561  3.113632       6.470408  
1 1 1 -7  62  17 o 159.602 3.4700  13862.82   599.849  14168.08   850.654  13560.90   845.994  160.963 4.8793  157.451 4.9608  3.512436       6.958225  
1 1 1 -7  62  18 o 125.506 3.1965  8572.01    434.522  8372.64    624.386  8759.25    605.083  123.701 4.6603  126.592 4.4131  -2.890762      6.418182  
1 1 1 -7  62  19 o 115.659 3.2631  7285.71    408.768  7316.88    604.099  7259.39    555.167  115.517 4.8283  115.169 4.4506  0.3478546      6.566595  
1 1 1 -7  62  20 o 50.130  4.5814  1389.72    246.002  1091.11    407.702  1560.68    308.487  43.087  9.0254  52.929  5.4595  -9.842545      10.54820  
1 1 1 -7  62  21 o 26.214  7.8164  395.155    238.672  677.236    375.447  203.853    309.187  33.755  9.7335  22.681  8.8002  11.07365       13.12187  
1 1 1 -7  62  22 o 33.697  5.5997  646.534    197.202  870.503    439.081  589.941    220.715  37.762  10.403  31.883  6.6086  5.879555       12.32471  
1 1 1 -7  62  23 o 120.293 3.2890  7916.28    428.524  8562.68    859.334  7702.34    494.380  123.197 6.4627  118.434 3.8540  4.762054       7.524589  
1 1 1 -7  62  24 o 81.720  3.4641  3666.32    306.614  3470.41    611.033  3732.25    354.473  77.388  7.3793  82.274  3.9779  -4.886055      8.383182  
1 1 1 -7  62  25 o 51.778  4.5780  1508.91    254.092  1034.48    508.618  1666.69    293.316  39.254  11.332  54.219  5.0529  -14.96486      12.40729  
1 1 1 -7  62  26 o 56.727  4.3500  1816.73    265.236  1432.31    530.462  1944.88    306.270  45.708  10.873  58.398  4.8871  -12.69002      11.92095  
1 1 1 -7  62  27 o 32.171  6.9931  639.316    236.721  484.285    475.260  690.469    272.995  27.978  10.895  33.031  7.7620  -5.053509      13.37728  
1 1 1 -7  62  28 o 46.125  5.0446  1238.33    247.911  1395.81    512.666  1190.27    283.228  43.919  10.842  44.578  6.0200  -0.6588173     12.40161  
1 1 1 -7  62  29 o 27.009  8.8624  497.136    299.481  0.0000     0.0000   497.136    299.481  ?       ?       27.009  8.8624  0.000000       8.862435  
1 1 1 -7  62  30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -7  63  1  o 157.309 3.4974  13416.31   595.903  13600.90   878.918  13259.27   810.681  158.287 5.1267  156.310 4.7884  1.976761       7.015098  
1 1 1 -7  63  2  o 125.641 3.0535  8556.13    415.523  8309.89    588.677  8800.64    586.604  123.763 4.3915  127.373 4.2520  -3.609154      6.112719  
1 1 1 -7  63  3  o 98.084  3.3074  5215.30    351.361  5200.54    615.193  5222.44    428.043  97.665  5.8425  98.127  4.0275  -0.4611359     7.096132  
1 1 1 -7  63  4  o 108.903 4.1087  6433.19    484.631  6684.72    669.268  6155.91    702.698  110.794 5.5952  106.249 6.1323  4.545486       8.301323  
1 1 1 -7  63  5  o 48.448  3.3095  1278.45    172.626  1281.68    239.148  1274.94    249.437  48.377  4.6202  48.223  4.8410  0.1542397      6.691935  
1 1 1 -7  63  6  o 198.281 4.1160  21329.67   883.938  21379.47   1182.18  21266.52   1331.20  198.371 5.5022  197.759 6.2150  0.6125031      8.300577  
1 1 1 -7  63  7  o 243.600 4.4763  32210.35   1181.04  30954.50   1670.86  33464.32   1669.62  238.506 6.4680  248.032 6.2150  -9.526276      8.970020  
1 1 1 -7  63  8  o 198.723 4.0542  21430.67   872.605  21171.60   1165.03  21761.72   1317.00  197.353 5.4503  199.993 6.0799  -2.640137      8.165283  
1 1 1 -7  63  9  o 51.217  3.2815  1428.58    181.078  1382.99    257.812  1472.97    254.389  50.226  4.7975  51.876  4.5743  -1.650097      6.628763  
1 1 1 -7  63  10 o 63.833  3.0072  2209.84    207.907  1763.28    294.098  2655.94    293.951  56.751  4.8306  69.837  3.9018  -13.08571      6.209561  
1 1 1 -7  63  11 f 88.181  2.9758  4217.97    284.214  3973.31    395.483  4479.29    408.724  85.511  4.2701  90.801  4.1559  -5.289581      5.958622  
1 1 1 -7  63  12 o 203.247 3.9265  22445.69   864.362  21793.21   1219.39  23104.63   1225.42  199.921 5.6314  205.881 5.4954  -5.960724      7.868385  
1 1 1 -7  63  13 o 151.640 4.6750  12521.58   767.829  11762.32   1080.57  13295.91   1091.25  146.521 6.8090  155.869 6.4639  -9.348343      9.388550  
1 1 1 -7  63  14 o 47.207  4.9666  1228.77    250.136  1195.85    339.376  1267.91    370.111  46.159  7.0086  47.457  7.4454  -1.298653      10.22518  
1 1 1 -7  63  15 o 67.031  2.4468  2438.18    177.640  1956.20    339.736  2619.54    208.397  59.589  5.3199  69.460  2.7701  -9.871120      5.997844  
1 1 1 -7  63  16 o 101.928 3.0485  5646.00    336.545  5814.51    479.185  5481.96    472.772  103.263 4.2844  100.255 4.3539  3.007690       6.108376  
1 1 1 -7  63  17 o 64.895  3.4666  2298.98    242.780  2100.10    365.474  2456.05    324.800  61.628  5.5344  66.902  4.5086  -5.274979      7.138394  
1 1 1 -7  63  18 o 122.605 3.1534  8180.62    418.760  8088.07    603.724  8266.44    581.342  121.580 4.5847  122.972 4.3647  -1.392410      6.330071  
1 1 1 -7  63  19 o 101.968 3.1724  5662.40    350.365  5810.62    505.904  5525.79    485.694  102.994 4.5351  100.456 4.4639  2.538300       6.363447  
1 1 1 -7  63  20 o 48.519  4.5835  1303.25    238.014  1256.82    384.569  1332.07    303.025  46.674  7.8884  48.729  5.8588  -2.055473      9.826159  
1 1 1 -7  63  21 o 59.343  4.3292  1943.84    276.339  1657.62    421.606  2159.41    365.893  53.774  7.4379  62.220  5.4855  -8.446426      9.241962  
1 1 1 -7  63  22 o 41.891  6.1497  1000.23    270.722  716.436    454.970  1155.80    336.845  34.482  10.890  44.710  7.2003  -10.22803      13.05487  
1 1 1 -7  63  23 o 30.919  6.7450  559.840    219.524  92.202     443.197  711.871    252.702  23.563  9.9963  34.898  6.9299  -11.33484      12.16349  
1 1 1 -7  63  24 o 43.429  5.1414  1067.67    237.148  926.716    481.623  1112.78    272.466  37.971  11.046  44.077  5.8520  -6.106339      12.50038  
1 1 1 -7  63  25 o 62.216  4.0467  2161.70    271.213  2281.34    542.110  2121.75    313.231  61.030  8.4258  61.286  4.7561  -0.2557259     9.675477  
1 1 1 -7  63  26 o 95.980  3.4371  5105.89    357.304  4479.76    713.106  5315.77    412.870  85.739  7.7632  97.608  3.9053  -11.86919      8.690166  
1 1 1 -7  63  27 o 22.562  7.7728  304.265    230.202  612.636    467.397  205.505    264.509  29.964  10.994  20.671  8.1062  9.293154       13.65953  
1 1 1 -7  63  28 o 26.099  7.6700  438.918    231.170  546.677    481.279  406.601    263.565  28.304  10.980  25.103  8.3178  3.200281       13.77482  
1 1 1 -7  63  29 o 19.098  8.0716  121.454    287.225  0.0000     0.0000   121.454    287.225  ?       ?       19.098  8.0716  0.000000       8.071576  
1 1 1 -7  64  1  o 154.709 3.2181  12975.04   539.252  13477.77   764.989  12478.51   760.267  157.603 4.4815  151.638 4.6290  5.964844       6.442932  
1 1 1 -7  64  2  f 244.421 4.4784  32417.09   1185.59  32736.89   1678.07  32098.34   1675.29  245.385 6.3138  242.972 6.3659  2.412857       8.966019  
1 1 1 -7  64  3  o 273.322 5.7168  40589.64   1692.39  37126.00   2932.61  42319.16   2072.29  260.417 10.397  278.883 6.8605  -18.46597      12.45662  
1 1 1 -7  64  4  f 145.966 3.7542  11555.25   593.517  11703.56   724.054  11251.48   1036.22  146.849 4.5523  143.809 6.6526  3.039902       8.061084  
1 1 1 -7  64  5  o 148.877 3.2868  12017.39   530.002  11772.21   752.871  12258.28   746.246  147.258 4.7203  150.278 4.5848  -3.019669      6.580365  
1 1 1 -7  64  6  o 197.613 3.8574  21184.88   825.619  20773.73   1168.65  21594.57   1166.56  195.509 5.5188  199.349 5.4028  -3.839905      7.723219  
1 1 1 -7  64  7  o 346.779 6.0141  65422.45   2258.86  64390.71   3194.98  66453.59   3194.06  343.221 8.5946  348.727 8.4564  -5.505951      12.05728  
1 1 1 -7  64  8  o 147.250 3.3575  11760.70   535.476  11857.38   735.105  11651.41   781.584  147.753 4.5935  146.432 4.9280  1.321304       6.736851  
1 1 1 -7  64  9  o 110.338 2.9889  6602.44    357.193  6432.12    506.146  6771.42    504.154  108.825 4.2942  111.667 4.1684  -2.842667      5.984578  
1 1 1 -7  64  10 o 155.163 3.3308  13063.89   559.772  12822.64   791.540  13305.25   791.734  153.565 4.7589  156.440 4.6726  -2.874527      6.669405  
1 1 1 -7  64  11 o 158.063 3.4185  13562.39   585.242  13463.24   830.363  13660.26   824.977  157.291 4.8741  158.448 4.8071  -1.157150      6.845811  
1 1 1 -7  64  12 o 115.237 4.2304  7222.19    528.008  7232.46    741.594  7211.63    751.944  114.925 5.9784  114.739 6.0723  0.1859055      8.521372  
1 1 1 -7  64  13 o 80.789  4.2578  3562.02    371.256  3518.78    532.719  3602.85    517.674  79.952  6.2003  80.959  5.9452  -1.007469      8.590044  
1 1 1 -7  64  14 o 27.949  6.2086  444.650    183.058  226.796    280.080  607.117    241.870  22.866  8.4889  32.620  7.0515  -9.754013      11.03561  
1 1 1 -7  64  15 o 161.079 3.4736  14111.20   606.018  13584.67   857.995  14635.39   856.085  157.681 5.0238  163.720 4.8277  -6.039749      6.967507  
1 1 1 -7  64  16 o 45.700  1.7729  1132.42    87.756   877.065    264.492  1164.01    93.026   39.440  6.4118  46.330  1.8538  -6.889477      6.674436  
1 1 1 -7  64  17 o 23.657  0.9886  303.213    25.332   -127.1383  229.580  308.517    25.487   14.698  6.6659  23.863  0.9861  -9.164929      6.738455  
1 1 1 -7  64  18 o 59.556  3.6291  1940.85    232.977  1776.11    349.260  2072.91    312.719  56.505  5.7885  61.338  4.7440  -4.833553      7.484148  
1 1 1 -7  64  19 o 58.029  3.7357  1846.06    233.545  1898.48    335.617  1796.84    325.195  58.482  5.3580  56.887  5.3404  1.595242       7.564936  
1 1 1 -7  64  20 o 4.2436  2.0708  -58.0089   31.113   157.012    345.189  -59.7700   31.240   22.672  9.1370  4.2185  2.0621  18.45370       9.366819  
1 1 1 -7  64  21 o 80.484  3.0196  3533.08    263.226  3964.75    486.142  3354.03    313.094  84.466  5.3414  78.281  3.6928  6.185738       6.493584  
1 1 1 -7  64  22 o 62.905  2.8272  2158.25    192.625  1820.25    517.730  2212.55    207.523  55.491  8.9160  63.662  3.0097  -8.170498      9.410286  
1 1 1 -7  64  23 o 37.981  2.1303  787.345    87.280   784.958    461.547  787.434    88.884   35.541  10.928  37.978  2.1699  -2.436283      11.14142  
1 1 1 -7  64  24 o 88.840  3.3839  4340.06    325.607  4580.48    657.077  4261.81    374.870  88.968  6.8721  87.797  3.9421  1.170609       7.922543  
1 1 1 -7  64  25 o 85.305  3.5005  4027.49    323.425  3744.67    647.180  4121.64    373.395  78.834  7.6770  86.008  4.0083  -7.174805      8.660364  
1 1 1 -7  64  26 o 28.546  7.4683  508.500    233.559  398.850    469.400  544.578    269.256  26.891  10.718  29.266  8.1781  -2.374601      13.48151  
1 1 1 -7  64  27 o 33.812  6.8177  703.775    241.060  599.820    490.894  736.809    276.723  29.678  11.194  34.098  7.6777  -4.419781      13.57420  
1 1 1 -7  64  28 o 49.572  5.6093  1455.76    295.872  0.0000     0.0000   1455.76    295.872  ?       ?       49.572  5.6093  0.000000       5.609307  
1 1 1 -7  64  29 o 25.214  10.389  377.570    458.228  0.0000     0.0000   377.570    458.228  ?       ?       25.214  10.389  0.000000       10.38915  
1 1 1 -7  65  1  o 189.819 3.7941  19542.67   780.048  20416.30   1104.55  18673.43   1101.77  193.880 5.2600  185.396 5.4868  8.483887       7.600803  
1 1 1 -7  65  2  o 235.485 4.3851  30092.79   1118.45  29928.27   1582.34  30257.06   1581.11  234.595 6.2275  235.887 6.1886  -1.291214      8.779498  
1 1 1 -7  65  3  o 268.662 7.8304  39351.99   2278.57  37209.74   3965.05  40408.27   2784.22  258.914 14.193  271.828 9.4567  -12.91345      17.05511  
1 1 1 -7  65  4  o 32.286  5.1847  580.371    175.166  685.498    210.705  345.151    315.176  35.060  5.7480  26.382  9.0945  8.677738       10.75873  
1 1 1 -7  65  5  o 277.193 4.9745  41734.46   1493.50  41375.65   2111.99  42093.36   2112.26  275.581 7.0757  277.975 7.0157  -2.393890      9.964252  
1 1 1 -7  65  6  o 164.358 3.4485  14651.55   613.899  14448.45   867.483  14855.31   868.887  163.087 4.9110  165.373 4.8510  -2.286453      6.902890  
1 1 1 -7  65  7  o 112.229 2.9295  6829.21    356.092  6563.49    503.219  7095.72    503.963  109.952 4.2255  114.334 4.0696  -4.381424      5.866590  
1 1 1 -7  65  8  o 200.587 3.9956  21843.63   868.080  20955.69   1160.64  22970.97   1307.79  196.257 5.4601  205.402 5.8784  -9.144821      8.023044  
1 1 1 -7  65  9  o 66.451  3.0636  2395.24    220.498  2283.71    311.186  2507.71    312.482  64.673  4.4699  67.807  4.2767  -3.134239      6.186299  
1 1 1 -7  65  10 o 174.009 3.6059  16439.47   679.594  16552.60   961.777  16326.67   960.405  174.386 5.0920  173.187 5.1200  1.199066       7.221025  
1 1 1 -7  65  11 o 184.289 5.2359  18506.29   1045.10  18258.74   1476.90  18754.57   1479.09  182.470 7.4729  184.959 7.3833  -2.488434      10.50510  
1 1 1 -7  65  12 o 78.824  4.2625  3390.40    362.557  3281.59    523.944  3490.37    502.212  77.193  6.3221  79.717  5.8576  -2.524261      8.618576  
1 1 1 -7  65  13 o 152.079 3.3201  12565.81   546.879  12144.92   773.331  12986.85   773.476  149.250 4.7839  154.370 4.6261  -5.120178      6.654795  
1 1 1 -7  65  14 f 77.664  3.0791  3276.76    259.006  3075.03    366.788  3477.40    365.794  74.962  4.5390  79.781  4.2485  -4.819336      6.217046  
1 1 1 -7  65  15 f 108.314 3.0652  6375.46    359.595  6288.20    510.055  6461.71    507.047  107.376 4.3857  108.863 4.3003  -1.486076      6.142222  
1 1 1 -7  65  16 f 67.888  3.3206  2507.50    244.165  2482.88    355.955  2529.38    335.550  67.194  4.9253  67.890  4.5903  -0.6966095     6.732697  
1 1 1 -7  65  17 o 16.219  6.5013  72.241     173.739  149.992    261.240  10.578     232.646  20.633  8.0657  17.017  7.2318  3.615845       10.83308  
1 1 1 -7  65  18 o 74.729  3.4011  3042.98    275.280  3003.20    404.570  3077.27    375.646  73.789  5.0933  74.808  4.6593  -1.018623      6.902981  
1 1 1 -7  65  19 o 83.907  3.2955  3838.41    299.493  3461.34    441.047  4161.05    407.978  79.133  5.1743  87.153  4.3220  -8.020393      6.741917  
1 1 1 -7  65  20 o 30.623  7.3282  547.307    239.812  1004.80    376.881  236.052    310.864  41.282  8.7032  23.370  8.8857  17.91146       12.43791  
1 1 1 -7  65  21 o 76.558  3.8053  3211.83    315.532  3390.88    491.133  3085.99    411.750  77.833  5.8691  74.520  5.1327  3.312767       7.796845  
1 1 1 -7  65  22 o 36.538  6.9107  776.206    263.467  931.789    444.974  692.218    326.936  38.909  10.371  33.944  8.8143  4.965225       13.61028  
1 1 1 -7  65  23 o 28.337  7.0791  476.016    216.644  865.504    441.844  352.742    248.575  37.137  10.511  24.820  8.0708  12.31629       13.25216  
1 1 1 -7  65  24 o 99.656  3.3238  5465.42    358.758  6067.99    723.854  5269.20    413.059  102.504 6.5542  97.553  3.9093  4.950615       7.631555  
1 1 1 -7  65  25 o 48.376  5.0391  1339.52    260.154  1372.77    505.633  1327.56    303.392  45.219  10.522  47.629  6.0153  -2.410004      12.11981  
1 1 1 -7  65  26 o 43.009  5.4242  1076.38    247.055  1231.56    499.012  1025.99    284.350  42.019  10.879  41.333  6.5716  0.6858635      12.70988  
1 1 1 -7  65  27 o 33.273  6.9341  687.120    241.788  -21.0816   492.890  911.548    277.466  21.590  9.7818  38.466  6.9141  -16.87535      11.97863  
1 1 1 -7  65  28 o 43.825  6.3562  1169.59    292.908  0.0000     0.0000   1169.59    292.908  ?       ?       43.825  6.3562  0.000000       6.356180  
1 1 1 -7  65  29 f 29.483  11.121  652.813    484.516  0.0000     0.0000   652.813    484.516  ?       ?       29.483  11.121  0.000000       11.12119  
1 1 1 -7  66  1  o 112.394 2.8652  6847.63    348.795  6630.13    487.621  7075.52    499.122  110.540 4.0728  114.195 4.0354  -3.654556      5.733429  
1 1 1 -7  66  2  o 49.786  3.7773  1352.29    202.165  854.520    355.017  1591.16    245.936  38.799  8.6668  53.982  4.2405  -15.18319      9.648581  
1 1 1 -7  66  3  o 141.629 3.6971  10880.83   567.125  11035.02   692.643  10567.20   987.845  142.573 4.4854  139.327 6.5461  3.245941       7.935370  
1 1 1 -7  66  4  o 164.842 3.4429  14737.38   614.699  14591.52   869.385  14883.20   869.247  163.899 4.8974  165.534 4.8483  -1.635071      6.891313  
1 1 1 -7  66  5  o 107.252 2.8747  6236.35    333.941  6062.41    476.782  6403.84    467.872  105.683 4.1653  108.629 3.9766  -2.946251      5.758739  
1 1 1 -7  66  6  o 317.480 5.5488  54825.62   1908.04  53279.30   2698.41  56371.87   2698.34  312.241 7.9790  321.255 7.7549  -9.014435      11.12667  
1 1 1 -7  66  7  o 99.688  2.8930  5388.82    312.367  5646.09    446.812  5142.88    436.864  101.976 4.0454  97.320  4.1445  4.656532       5.791552  
1 1 1 -7  66  8  o 55.431  3.3317  1673.11    199.098  1594.02    283.194  1750.42    279.968  53.922  4.9025  56.563  4.6100  -2.641106      6.729494  
1 1 1 -7  66  9  o 65.537  3.1416  2330.45    223.004  2162.34    322.243  2484.95    308.928  62.874  4.7674  67.490  4.2478  -4.616150      6.385340  
1 1 1 -7  66  10 o 161.526 4.8402  14201.37   846.782  13764.22   1197.47  14638.60   1197.59  158.589 6.9714  163.600 6.7586  -5.011139      9.709750  
1 1 1 -7  66  11 o 115.168 4.2090  7214.36    525.032  6925.47    740.089  7507.06    744.949  112.408 6.1016  117.092 5.8928  -4.684128      8.482595  
1 1 1 -7  66  12 o 184.814 3.7030  18568.69   741.237  18177.00   1045.53  18964.52   1051.03  182.490 5.2896  186.425 5.2052  -3.934326      7.421240  
1 1 1 -7  66  13 o 89.729  3.0442  4372.93    295.853  4449.11    424.837  4301.20    412.246  90.371  4.3403  88.863  4.2832  1.508049       6.097845  
1 1 1 -7  66  14 o 51.732  2.1549  1451.63    120.739  1407.41    300.188  1460.17    131.876  50.406  5.5927  51.876  2.3471  -1.469940      6.065281  
1 1 1 -7  66  15 o 30.037  5.6805  510.548    178.033  696.342    257.076  339.323    246.792  34.924  7.0394  24.987  8.0341  9.936214       10.68176  
1 1 1 -7  66  16 f 98.331  3.0393  5257.92    323.689  4787.11    460.226  5718.80    455.342  93.588  4.5403  102.376 4.1065  -8.787903      6.121851  
1 1 1 -7  66  17 o 14.165  6.0961  -10.9220   169.123  278.894    247.374  -265.2687  231.743  23.324  8.0562  13.062  6.1805  10.26189       10.15384  
1 1 1 -7  66  18 o 62.494  3.5891  2137.34    241.917  2177.01    345.480  2099.17    338.861  62.737  5.1291  61.599  5.1255  1.138180       7.251109  
1 1 1 -7  66  19 o 100.803 3.2804  5541.41    358.149  5502.88    529.180  5573.97    486.504  100.029 4.8844  100.802 4.4560  -0.7735443     6.611594  
1 1 1 -7  66  20 o 61.366  2.7667  2050.93    183.889  2139.30    421.642  2030.17    204.347  61.619  6.4116  60.932  3.1067  0.6864510      7.124601  
1 1 1 -7  66  21 o 26.590  7.7808  411.500    238.348  347.013    369.434  457.482    311.957  26.441  9.7627  28.199  9.0291  -1.757772      13.29795  
1 1 1 -7  66  22 o 7.0545  2.6539  19.858     27.552   -138.9729  407.158  20.589     27.615   19.929  8.9724  7.1105  2.6605  12.81891       9.358510  
1 1 1 -7  66  23 o 80.419  3.4346  3551.74    299.161  3886.12    604.122  3443.11    344.346  82.202  6.8476  78.871  4.0445  3.330818       7.952887  
1 1 1 -7  66  24 o 62.721  2.6223  2153.83    178.137  1995.05    533.935  2173.72    188.964  56.705  8.9937  62.970  2.7706  -6.264252      9.410776  
1 1 1 -7  66  25 o 8.0470  3.1908  19.665     41.407   463.841    449.721  15.868     41.584   27.970  10.675  7.8686  3.1712  20.10129       11.13600  
1 1 1 -7  66  26 o 38.657  5.9701  886.604    241.914  999.862    489.792  850.059    278.219  37.341  11.212  37.150  7.1741  0.1910019      13.31042  
1 1 1 -7  66  27 o 46.108  5.4155  1247.24    265.300  1336.76    520.497  1215.81    308.363  42.796  11.126  44.752  6.5562  -1.956383      12.91390  
1 1 1 -7  66  28 f 55.113  6.1825  1835.00    362.693  0.0000     0.0000   1835.00    362.693  ?       ?       55.113  6.1825  0.000000       6.182531  
1 1 1 -7  67  1  o 157.252 3.3906  13411.41   577.488  13023.36   814.982  13802.72   818.411  154.840 4.8595  159.417 4.7399  -4.577515      6.788343  
1 1 1 -7  67  2  o 250.234 6.4946  34096.90   1760.24  35269.96   2490.61  32926.21   2488.10  253.846 9.0587  245.176 9.3695  8.669830       13.03258  
1 1 1 -7  67  3  o 231.664 5.0163  29162.16   1258.67  29385.12   1540.41  28714.26   2183.30  232.357 6.1208  229.079 8.7995  3.277710       10.71896  
1 1 1 -7  67  4  o 97.294  2.8308  5132.12    298.310  4940.46    419.017  5329.10    424.790  95.403  4.0551  99.090  3.9580  -3.686882      5.666497  
1 1 1 -7  67  5  o 101.244 2.8305  5557.68    310.380  5097.23    437.287  6025.18    440.620  96.892  4.1669  105.362 3.8611  -8.470184      5.680746  
1 1 1 -7  67  6  o 172.945 3.5451  16230.27   664.067  15997.48   939.041  16463.14   939.223  171.522 5.0547  174.011 4.9834  -2.488403      7.098147  
1 1 1 -7  67  7  o 193.146 3.8340  20254.19   802.059  19611.70   1135.32  20894.32   1133.24  189.799 5.5228  195.941 5.3398  -6.141754      7.682102  
1 1 1 -7  67  8  o 237.804 4.4049  30737.86   1134.54  31346.08   1606.45  30132.60   1602.53  239.717 6.1872  235.001 6.2960  4.715866       8.827310  
1 1 1 -7  67  9  o 84.201  4.1325  3853.48    376.882  3866.92    552.164  3841.75    515.688  83.950  6.1146  83.744  5.7197  0.2068176      8.372766  
1 1 1 -7  67  10 o 83.875  4.1746  3825.63    379.246  3605.36    553.277  4020.83    520.858  80.962  6.3607  85.660  5.6456  -4.698441      8.504791  
1 1 1 -7  67  11 o 88.187  2.7668  4220.32    264.270  4385.72    404.942  4097.62    348.783  89.781  4.1642  86.824  3.7089  2.957161       5.576450  
1 1 1 -7  67  12 o 97.183  3.0011  5128.48    315.890  5141.89    447.038  5115.12    446.433  97.178  4.2472  96.924  4.2526  0.2540207      6.010267  
1 1 1 -7  67  13 o 100.735 3.0233  5512.11    329.858  5210.44    466.884  5812.76    466.095  97.773  4.4088  103.305 4.1657  -5.532318      6.065507  
1 1 1 -7  67  14 o 61.458  3.4203  2060.56    226.775  2285.96    329.048  1856.66    312.971  64.535  4.7407  58.073  5.0253  6.462006       6.908521  
1 1 1 -7  67  15 o 86.872  3.0307  4102.60    285.163  4035.75    413.603  4163.16    393.695  85.858  4.4630  87.365  4.1606  -1.506248      6.101577  
1 1 1 -7  67  16 o 143.958 3.3656  11282.15   524.768  11660.97   755.861  10929.66   729.128  145.966 4.7810  141.320 4.7635  4.645706       6.749029  
1 1 1 -7  67  17 o 23.490  6.6750  313.670    177.824  315.272    258.800  312.237    244.749  24.416  8.2445  24.138  8.0162  0.2786598      11.49917  
1 1 1 -7  67  18 o 74.913  2.5982  3051.40    210.811  2523.32    391.548  3266.96    250.165  67.471  5.4033  77.465  2.9816  -9.993996      6.171334  
1 1 1 -7  67  19 o 113.449 3.2961  7021.81    405.012  7664.88    606.310  6503.65    544.249  118.065 4.7413  108.797 4.6186  9.268547       6.619046  
1 1 1 -7  67  20 o 68.230  3.9859  2560.65    293.274  2656.73    453.289  2491.48    384.623  68.786  6.1490  66.886  5.3541  1.900551       8.153363  
1 1 1 -7  67  21 o 34.107  6.9715  677.899    248.839  882.170    390.783  538.582    322.725  38.189  9.4896  30.201  9.1082  7.987366       13.15336  
1 1 1 -7  67  22 f 17.394  7.3163  41.982     234.182  -178.8223  366.753  193.981    304.290  18.342  8.3595  22.131  8.6895  -3.788866      12.05773  
1 1 1 -7  67  23 o 23.615  7.4625  324.525    213.633  184.490    439.640  367.811    244.431  24.342  10.116  25.039  7.9898  -0.6969776     12.89044  
1 1 1 -7  67  24 o 19.670  7.3934  188.794    213.746  32.386     439.804  237.161    244.572  21.909  9.6229  21.397  7.9348  0.5125504      12.47240  
1 1 1 -7  67  25 o 22.989  7.6662  313.859    223.759  192.146    456.205  352.415    256.765  23.945  10.149  24.233  8.2118  -0.2887344     13.05526  
1 1 1 -7  67  26 o 24.888  7.7457  386.801    231.079  -33.9345   467.999  522.447    265.731  21.241  9.5859  28.530  8.1777  -7.288780      12.60013  
1 1 1 -7  67  27 o 33.034  7.0048  682.245    242.850  353.504    492.372  787.928    279.170  25.711  10.697  35.207  7.5477  -9.496157      13.09136  
1 1 1 -7  67  28 o 47.839  7.0311  1425.62    353.445  0.0000     0.0000   1425.62    353.445  ?       ?       47.839  7.0311  0.000000       7.031056  
1 1 1 -7  68  1  o 60.118  3.5266  1967.48    228.623  1836.99    402.888  2029.45    277.657  57.697  6.5639  60.992  4.2291  -3.295666      7.808377  
1 1 1 -7  68  2  o 221.615 5.9377  26734.66   1425.25  25459.70   2015.81  28009.11   2015.40  215.650 8.6304  226.303 8.2224  -10.65228      11.92023  
1 1 1 -7  68  3  o 188.038 3.7496  19189.00   763.660  18969.72   1081.02  19407.43   1078.95  186.758 5.3442  188.911 5.2732  -2.153030      7.507798  
1 1 1 -7  68  4  o 95.107  2.8317  4904.65    291.692  4855.33    416.563  4952.10    408.583  94.564  4.0671  95.509  3.9497  -0.9447937     5.669352  
1 1 1 -7  68  5  o 159.798 3.3879  13854.92   586.369  14171.71   829.351  13538.28   829.149  161.467 4.7422  157.804 4.8511  3.663315       6.783988  
1 1 1 -7  68  6  o 112.778 2.9890  6898.78    365.103  6859.12    523.267  6936.40    509.669  112.359 4.2998  113.002 4.1642  -0.6425247     5.985701  
1 1 1 -7  68  7  o 18.353  6.3069  167.298    151.518  190.413    236.606  151.229    197.273  21.099  7.8084  19.087  7.1167  2.012678       10.56502  
1 1 1 -7  68  8  o 188.820 5.3163  19423.25   1087.24  18698.77   1539.80  20143.57   1535.39  184.665 7.6986  191.759 7.3925  -7.093948      10.67322  
1 1 1 -7  68  9  o 169.364 4.9705  15623.48   911.781  15249.13   1291.20  15995.81   1287.71  166.813 7.1465  170.901 6.9567  -4.088028      9.973413  
1 1 1 -7  68  10 o 145.961 3.3557  11571.53   530.509  11690.51   728.549  11437.24   774.020  146.522 4.5908  144.865 4.9331  1.657318       6.738737  
1 1 1 -7  68  11 f 44.505  3.7457  1084.51    178.873  1302.65    249.484  853.753    256.596  48.652  4.7969  39.008  6.2871  9.644840       7.908069  
1 1 1 -7  68  12 o 95.307  2.9291  4932.65    302.361  4834.28    422.590  5035.83    432.799  94.223  4.1409  96.166  4.1552  -1.942284      5.866226  
1 1 1 -7  68  13 o 126.667 3.1463  8718.80    431.649  8384.21    619.513  9034.49    601.763  123.968 4.6139  128.745 4.3154  -4.776886      6.317532  
1 1 1 -7  68  14 o 121.698 3.1216  8051.04    411.458  7970.39    586.949  8128.98    576.958  120.845 4.4844  122.066 4.3639  -1.221390      6.257293  
1 1 1 -7  68  15 o 42.690  4.3473  1005.19    198.202  1104.68    293.307  921.583    268.882  44.365  6.2793  40.433  6.3489  3.931751       8.929672  
1 1 1 -7  68  16 o 78.449  2.7355  3344.96    232.436  3170.21    412.714  3426.13    281.287  75.882  5.0504  79.334  3.2736  -3.451912      6.018579  
1 1 1 -7  68  17 o 71.144  2.6283  2751.48    202.529  2657.27    374.082  2790.55    240.886  69.398  5.0105  71.594  3.1065  -2.195549      5.895313  
1 1 1 -7  68  18 o 62.155  3.6259  2116.38    243.036  2127.90    346.385  2105.22    341.086  61.952  5.2106  61.633  5.1569  0.3185692      7.331033  
1 1 1 -7  68  19 o 36.804  1.8208  735.263    72.582   675.618    341.718  738.081    74.277   33.753  9.1277  36.825  1.8684  -3.071716      9.316981  
1 1 1 -7  68  20 o 44.558  5.4593  1116.27    257.957  1377.52    401.017  931.860    336.913  48.701  7.8710  39.803  8.0907  8.897274       11.28770  
1 1 1 -7  68  21 o 69.953  3.9584  2695.50    298.683  2755.14    452.944  2649.62    397.306  69.958  6.0368  68.870  5.3687  1.087852       8.078752  
1 1 1 -7  68  22 o 24.540  7.9689  343.954    242.372  354.095    377.543  336.845    316.112  26.391  9.8444  25.210  9.0723  1.181440       13.38723  
1 1 1 -7  68  23 o 76.462  3.5168  3222.39    291.250  3318.98    590.080  3191.28    334.884  75.157  7.3427  75.755  4.0967  -0.5982361     8.408224  
1 1 1 -7  68  24 o 55.726  4.2200  1744.44    252.816  1888.13    517.134  1699.31    289.810  54.746  9.0367  54.631  4.9516  0.1143265      10.30435  
1 1 1 -7  68  25 o 73.433  3.7057  3007.10    293.782  2921.53    591.725  3035.09    338.441  68.809  8.0945  73.428  4.2740  -4.618904      9.153585  
1 1 1 -7  68  26 o 20.843  7.3280  249.902    205.112  824.101    462.754  109.511    228.817  33.868  11.012  17.947  7.3618  15.92122       13.24602  
1 1 1 -7  68  27 o 27.915  1.3547  423.999    40.959   -62.1982   467.480  427.761    41.117   20.584  9.4033  28.039  1.3539  -7.454716      9.500264  
1 1 1 -7  68  28 o 18.559  8.2366  15.273     330.294  0.0000     0.0000   15.273     330.294  ?       ?       18.559  8.2366  0.000000       8.236560  
1 1 1 -7  69  1  o 116.337 4.2422  7350.75    534.543  6311.01    751.094  8417.87    760.917  107.396 6.4876  124.356 5.6494  -16.96031      8.602544  
1 1 1 -7  69  2  f 274.050 5.6694  40885.57   1682.83  40439.71   2060.04  41779.88   2917.57  272.183 6.9879  275.618 9.7734  -3.434204      12.01452  
1 1 1 -7  69  3  o 190.506 3.7670  19700.96   777.276  19101.56   1101.18  20296.13   1097.29  187.347 5.4268  193.148 5.2452  -5.800476      7.547333  
1 1 1 -7  69  4  o 106.318 2.8874  6130.25    332.496  5997.35    470.934  6262.35    469.510  105.079 4.1378  107.383 4.0368  -2.304031      5.780789  
1 1 1 -7  69  5  o 172.909 3.5776  16228.90   670.008  16141.11   950.244  16315.69   944.849  172.234 5.0938  173.172 5.0375  -0.9379120     7.164032  
1 1 1 -7  69  6  o 32.157  4.4528  572.770    150.925  583.312    223.825  563.980    204.380  32.097  6.6566  31.616  6.1900  0.4812984      9.089881  
1 1 1 -7  69  7  o 118.463 4.2168  7628.73    541.045  7398.33    771.005  7852.27    759.433  116.256 6.1449  119.978 5.8441  -3.722084      8.480191  
1 1 1 -7  69  8  o 94.951  4.1155  4901.69    423.244  4917.89    619.546  4887.51    579.567  94.701  6.0722  94.478  5.6903  0.2227020      8.321668  
1 1 1 -7  69  9  o 152.010 4.7559  12586.42   783.032  11800.17   1117.01  13346.12   1097.98  146.685 7.0308  156.142 6.4924  -9.457184      9.569892  
1 1 1 -7  69  10 o 108.610 3.0020  6404.39    353.145  6367.07    503.446  6440.53    495.494  108.150 4.2979  108.784 4.2054  -0.6340485     6.013066  
1 1 1 -7  69  11 o 152.234 3.3616  12594.30   554.278  12617.53   786.081  12571.34   781.674  152.107 4.7714  151.832 4.7533  0.2746735      6.734979  
1 1 1 -7  69  12 f 180.440 3.7308  17714.24   729.131  17263.27   1033.74  18160.72   1028.57  177.688 5.3713  182.300 5.2093  -4.611862      7.482513  
1 1 1 -7  69  13 o 153.057 3.5140  12744.52   582.533  12618.30   801.778  12885.64   847.800  151.980 4.8708  153.517 5.0988  -1.537659      7.051381  
1 1 1 -7  69  14 o 68.695  3.1742  2566.28    236.171  2452.35    334.517  2679.51    333.477  66.836  4.6500  69.920  4.4263  -3.083984      6.419879  
1 1 1 -7  69  15 o 105.442 3.0836  6047.12    352.160  5845.60    507.764  6233.89    488.833  103.411 4.5334  106.856 4.2237  -3.444901      6.196092  
1 1 1 -7  69  16 o 61.880  3.6080  2094.33    240.771  2370.36    367.565  1886.87    318.652  65.508  5.2239  58.433  5.0856  7.074806       7.290598  
1 1 1 -7  69  17 o 62.061  3.6569  2109.06    244.726  2358.09    365.671  1907.03    329.361  65.277  5.2155  58.656  5.2395  6.621693       7.392805  
1 1 1 -7  69  18 o 20.107  6.9623  206.489    184.814  321.223    258.468  86.459     264.366  24.453  8.2393  19.338  7.9206  5.114664       11.42897  
1 1 1 -7  69  19 o 21.020  7.6516  210.835    225.755  203.673    330.081  217.130    309.447  23.111  9.0576  22.932  8.8300  0.1793118      12.64942  
1 1 1 -7  69  20 o 22.231  8.0467  243.348    249.156  188.424    409.557  275.618    313.931  24.420  9.9135  24.131  8.9817  0.2886143      13.37710  
1 1 1 -7  69  21 o 62.375  4.2557  2152.89    285.797  1757.32    433.042  2458.14    380.408  55.106  7.4461  66.276  5.3448  -11.16978      9.165793  
1 1 1 -7  69  22 o 53.926  2.5923  1587.46    151.407  1554.94    424.878  1592.19    162.045  51.243  7.9099  53.903  2.7851  -2.660023      8.385852  
1 1 1 -7  69  23 o 59.275  2.7546  1925.43    176.850  1590.23    527.666  1967.85    187.706  49.728  10.141  59.888  2.8938  -10.15940      10.54536  
1 1 1 -7  69  24 o 20.011  2.0973  220.935    44.781   246.010    448.040  220.682    45.007   24.699  10.234  19.997  2.1098  4.701628       10.44881  
1 1 1 -7  69  25 o 59.554  4.1238  1996.47    264.361  1668.68    536.410  2101.62    303.819  49.833  10.280  60.801  4.6487  -10.96850      11.28181  
1 1 1 -7  69  26 o 36.983  6.2552  824.441    241.624  821.882    487.727  825.274    278.157  33.528  11.318  36.353  7.3177  -2.824997      13.47760  
1 1 1 -7  69  27 o 18.086  7.6910  81.882     263.423  0.0000     0.0000   81.882     263.423  ?       ?       18.086  7.6910  0.000000       7.691020  
1 1 1 -7  69  28 o 25.905  10.633  400.790    477.742  0.0000     0.0000   400.790    477.742  ?       ?       25.905  10.633  0.000000       10.63326  
1 1 1 -7  70  1  o 326.139 8.1241  58280.02   2869.79  56056.82   4057.97  60504.37   4059.03  317.824 11.788  330.490 11.340  -12.66562      16.35692  
1 1 1 -7  70  2  o 211.507 4.0390  24297.66   925.275  23600.15   1308.57  24995.10   1308.51  208.124 5.8050  214.223 5.6395  -6.098938      8.093345  
1 1 1 -7  70  3  o 111.510 2.9213  6744.63    352.825  6419.17    498.916  7070.24    499.025  108.692 4.2380  114.088 4.0384  -5.396347      5.853998  
1 1 1 -7  70  4  o 21.913  5.8282  270.926    140.730  162.566    193.724  392.011    204.782  19.290  7.0780  26.327  7.0436  -7.036751      9.985522  
1 1 1 -7  70  5  o 72.181  2.8312  2826.16    221.345  2795.74    314.682  2855.94    311.403  71.614  4.0738  72.393  3.9869  -0.7792435     5.700085  
1 1 1 -7  70  6  o 130.463 4.4068  9256.50    622.696  9130.46    900.849  9371.82    861.704  129.263 6.4344  131.025 6.0720  -1.761536      8.847075  
1 1 1 -7  70  7  o 143.780 4.5553  11249.78   709.393  11657.08   1018.40  10865.88   988.722  146.008 6.4398  140.958 6.4761  5.049728       9.132988  
1 1 1 -7  70  8  o 35.909  6.0881  723.904    228.324  568.079    310.810  906.572    336.517  31.604  8.7705  39.895  8.0652  -8.290291      11.91514  
1 1 1 -7  70  9  o 144.389 3.2540  11323.43   508.894  11284.25   720.116  11362.51   719.254  143.926 4.6195  144.429 4.5979  -0.5021210     6.517674  
1 1 1 -7  70  10 o 136.780 3.1735  10162.44   470.152  10219.53   664.672  10105.27   665.119  136.959 4.4807  136.186 4.5092  0.7730408      6.356847  
1 1 1 -7  70  11 o 62.342  3.2122  2117.38    216.163  2183.35    312.861  2057.13    299.009  63.113  4.6086  61.263  4.5385  1.849861       6.468204  
1 1 1 -7  70  12 o 214.482 4.1191  25062.12   956.903  24459.97   1353.34  25664.14   1353.19  211.222 5.9156  216.421 5.7728  -5.199844      8.265577  
1 1 1 -7  70  13 o 188.711 3.8025  19395.12   777.214  19169.78   1100.24  19619.56   1098.05  187.063 5.4304  189.274 5.3563  -2.211182      7.627494  
1 1 1 -7  70  14 o 93.166  3.0717  4720.02    309.965  4909.86    445.832  4542.40    431.245  94.828  4.3408  91.206  4.3655  3.621765       6.156248  
1 1 1 -7  70  15 o 69.932  3.4129  2663.21    258.504  3020.60    395.689  2397.11    341.440  74.089  4.9596  65.997  4.8097  8.091637       6.908728  
1 1 1 -7  70  16 o 48.679  4.0456  1303.28    211.371  1172.41    307.219  1420.90    291.266  45.616  6.3937  50.553  5.4032  -4.936985      8.371037  
1 1 1 -7  70  17 o 39.755  5.0227  882.113    211.444  889.853    326.062  876.497    277.765  39.140  7.9625  39.166  6.7941  -0.2681732E-01 10.46717  
1 1 1 -7  70  18 o 57.354  2.5484  1789.37    158.307  1607.47    379.815  1827.62    174.155  53.280  6.7319  57.940  2.7751  -4.660152      7.281489  
1 1 1 -7  70  19 o 89.142  3.1255  4336.13    301.764  3839.58    527.205  4578.08    368.011  82.887  5.9112  91.453  3.7153  -8.565559      6.981829  
1 1 1 -7  70  20 o 100.761 3.5290  5556.69    385.136  5747.51    579.950  5406.14    515.124  101.689 5.2838  98.944  4.8068  2.745346       7.143074  
1 1 1 -7  70  21 o 51.896  4.9628  1507.67    275.552  1646.64    429.882  1410.76    359.004  53.111  7.6973  49.452  6.8898  3.659332       10.33046  
1 1 1 -7  70  22 f 49.470  5.2183  1386.27    275.387  1231.71    435.138  1489.54    355.680  44.573  9.3134  50.638  6.6455  -6.064495      11.44124  
1 1 1 -7  70  23 o 33.063  6.4452  650.979    222.514  931.635    453.208  561.836    255.418  37.331  10.673  30.157  7.7712  7.173857       13.20246  
1 1 1 -7  70  24 o 55.710  4.4004  1750.93    263.357  1445.24    601.611  1823.40    292.913  44.998  12.087  56.634  4.8211  -11.63513      13.01305  
1 1 1 -7  70  25 o 45.510  5.0512  1193.89    244.786  1126.02    502.456  1215.01    280.299  39.786  11.191  45.478  5.8243  -5.692371      12.61566  
1 1 1 -7  70  26 o 19.101  7.5042  168.533    227.067  186.130    462.376  162.941    260.663  23.380  10.071  19.651  7.9327  3.728540       12.81975  
1 1 1 -7  70  27 o 33.575  7.8618  731.349    280.860  0.0000     0.0000   731.349    280.860  ?       ?       33.575  7.8618  0.000000       7.861815  
1 1 1 -7  71  1  o 57.502  3.4635  1801.37    214.699  1570.94    254.779  2365.84    398.770  53.573  4.4306  65.647  5.6639  -12.07338      7.190926  
1 1 1 -7  71  2  o 157.640 3.3104  13487.57   565.219  13006.62   799.006  13969.32   799.674  154.620 4.7710  160.265 4.6068  -5.644852      6.632183  
1 1 1 -7  71  3  o 180.779 3.5842  17745.53   701.784  17604.01   993.139  17886.68   991.808  179.812 5.0994  181.259 5.0519  -1.446884      7.178173  
1 1 1 -7  71  4  o 156.947 3.4776  13374.36   591.161  13814.78   808.198  12867.59   866.944  159.342 4.6829  153.697 5.2078  5.644867       7.003645  
1 1 1 -7  71  5  o 51.108  4.3588  1430.80    238.979  1533.92    366.205  1354.30    315.392  52.569  6.5756  49.452  6.0120  3.116512       8.909694  
1 1 1 -7  71  6  o 225.457 5.9766  27764.09   1459.46  28654.62   2068.52  26881.33   2059.48  228.112 8.3723  220.835 8.6103  7.276581       12.00967  
1 1 1 -7  71  7  o 84.373  3.9789  3870.86    363.612  3977.43    524.207  3772.04    504.793  85.156  5.7167  82.930  5.6536  2.225983       8.040131  
1 1 1 -7  71  8  o 91.158  2.9634  4511.04    292.593  4348.73    422.015  4661.27    406.025  89.378  4.3594  92.567  4.0497  -3.188919      5.950163  
1 1 1 -7  71  9  o 50.015  3.5249  1366.32    189.728  1591.74    279.801  1174.46    258.138  53.813  4.8527  46.088  5.2657  7.725101       7.160779  
1 1 1 -7  71  10 o 58.913  3.3304  1892.16    211.638  2196.08    317.571  1649.32    283.861  63.294  4.6653  54.775  4.8342  8.518169       6.718286  
1 1 1 -7  71  11 o 46.117  3.8602  1165.61    191.041  1183.45    289.922  1151.92    253.978  46.103  5.9446  45.617  5.2353  0.4861374      7.921237  
1 1 1 -7  71  12 o 45.121  3.9559  1117.40    191.377  931.155    272.909  1297.60    268.443  40.683  6.4052  48.435  5.1984  -7.751408      8.249226  
1 1 1 -7  71  13 o 85.520  3.0173  3975.83    279.482  3805.08    393.104  4150.35    397.427  83.379  4.3681  87.220  4.2070  -3.841820      6.064578  
1 1 1 -7  71  14 o 45.339  3.8433  1128.57    186.960  1222.34    289.885  1061.79    244.638  46.802  5.8461  43.700  5.2753  3.102009       7.874426  
1 1 1 -7  71  15 o 41.451  4.3917  949.694    194.165  995.416    279.764  907.206    269.694  42.009  6.3465  40.044  6.4362  1.965263       9.038936  
1 1 1 -7  71  16 o 70.890  3.5044  2740.43    269.073  2963.03    415.850  2580.12    352.905  73.212  5.2797  68.419  4.7925  4.792610       7.130462  
1 1 1 -7  71  17 o 89.672  3.1906  4383.07    309.884  4463.26    451.164  4311.46    426.370  90.049  4.6416  88.555  4.4596  1.493401       6.436791  
1 1 1 -7  71  18 o 58.941  3.9015  1910.01    247.661  1843.44    373.371  1962.31    330.945  57.281  6.1126  59.408  5.1956  -2.126945      8.022307  
1 1 1 -7  71  19 o 68.284  3.9446  2564.72    290.493  3143.23    428.323  2071.97    395.299  75.172  5.2945  60.681  6.0970  14.49121       8.074986  
1 1 1 -7  71  20 o 86.684  3.1057  4104.90    291.586  4159.83    516.655  4079.22    353.214  86.279  5.5583  86.233  3.7818  0.4660797E-01  6.722824  
1 1 1 -7  71  21 o 35.202  7.2200  732.058    266.046  1016.32    438.422  566.373    334.718  40.382  10.061  30.606  9.2861  9.775812       13.69136  
1 1 1 -7  71  22 o 17.724  7.4386  59.325     241.199  -269.8678  374.049  293.633    315.570  17.354  8.0963  23.947  8.9869  -6.592505      12.09607  
1 1 1 -7  71  23 o 27.893  7.2190  475.851    219.780  609.845    449.052  433.643    252.029  30.810  10.842  26.542  8.0590  4.267632       13.50903  
1 1 1 -7  71  24 f 53.602  4.3715  1622.54    251.583  1454.41    511.746  1676.13    288.907  46.584  10.405  54.161  4.9808  -7.576412      11.53577  
1 1 1 -7  71  25 o 80.139  3.5544  3574.75    308.516  3296.72    623.548  3664.87    355.016  72.753  8.0480  80.711  4.0743  -7.957802      9.020504  
1 1 1 -7  71  26 o 33.968  6.7616  712.423    240.017  1037.86    489.121  609.203    275.463  37.446  11.195  30.557  8.1666  6.889368       13.85723  
1 1 1 -7  71  27 o 65.348  5.5844  2515.70    391.461  0.0000     0.0000   2515.70    391.461  ?       ?       65.348  5.5844  0.000000       5.584380  
1 1 1 -7  72  1  o 125.348 3.0299  8526.09    411.351  7876.50    587.450  9151.01    576.190  120.331 4.5074  129.751 4.1000  -9.420509      6.093145  
1 1 1 -7  72  2  o 121.322 2.9604  7986.64    389.014  7561.02    548.306  8418.03    552.012  117.918 4.2931  124.445 4.0955  -6.526344      5.933257  
1 1 1 -7  72  3  o 67.950  2.8971  2505.24    213.218  2773.33    302.014  2238.83    301.060  71.329  3.9243  64.011  4.3685  7.318733       5.872303  
1 1 1 -7  72  4  o 80.397  3.9104  3513.17    340.511  3681.04    500.895  3368.94    464.296  81.940  5.6789  78.403  5.5024  3.537346       7.907412  
1 1 1 -7  72  5  o 51.568  4.5844  1458.89    253.384  1356.19    369.743  1549.82    347.929  49.241  7.1411  52.895  6.1901  -3.654327      9.450562  
1 1 1 -7  72  6  o 134.227 4.4036  9806.33    640.203  9853.74    903.102  9758.44    907.682  134.217 6.2124  133.553 6.2750  0.6640625      8.830009  
1 1 1 -7  72  7  o 40.317  4.0157  892.825    173.022  833.978    266.077  935.940    227.750  38.485  6.6221  41.093  5.2360  -2.608196      8.442017  
1 1 1 -7  72  8  o 83.520  2.9031  3787.00    262.614  3756.84    374.657  3816.14    368.212  82.973  4.1824  83.742  4.0596  -0.7690659     5.828639  
1 1 1 -7  72  9  o 28.800  5.1659  466.391    155.219  447.593    222.454  484.226    216.685  28.002  7.2705  29.110  6.9657  -1.108463      10.06878  
1 1 1 -7  72  10 o 42.739  4.0528  1003.42    185.365  1061.44    261.075  944.432    263.231  43.689  5.6496  41.077  6.1020  2.612312       8.315791  
1 1 1 -7  72  11 o 58.444  3.2236  1862.34    203.264  1657.29    286.460  2070.27    288.467  54.873  4.8705  61.466  4.3614  -6.592602      6.537852  
1 1 1 -7  72  12 o 64.641  2.4243  2268.21    169.732  2044.66    306.351  2367.23    203.885  61.003  4.6721  66.007  2.8518  -5.003372      5.473681  
1 1 1 -7  72  13 o 64.755  3.3234  2287.68    232.304  1996.55    333.894  2560.81    323.412  60.155  5.1751  68.341  4.3925  -8.186752      6.787886  
1 1 1 -7  72  14 o 40.863  4.7007  925.441    204.258  1044.00    320.397  844.261    265.121  42.852  7.1554  38.581  6.5806  4.270954       9.721278  
1 1 1 -7  72  15 o 65.277  3.4499  2328.61    243.050  2578.18    361.962  2123.68    327.993  68.388  4.9195  62.035  4.9220  6.353325       6.958962  
1 1 1 -7  72  16 o 15.274  6.3856  28.430     176.690  -1.5222    260.066  54.109     240.800  17.676  7.5822  18.042  7.4911  -0.3656063     10.65860  
1 1 1 -7  72  17 o 105.556 3.2700  6077.03    373.852  5614.59    561.165  6446.07    501.299  100.807 5.1569  108.444 4.2680  -7.637604      6.693954  
1 1 1 -7  72  18 o 67.251  3.5897  2479.92    260.529  2710.24    394.788  2302.24    346.755  69.833  5.2581  64.411  5.0099  5.422470       7.262701  
1 1 1 -7  72  19 o 75.762  3.6547  3142.46    299.900  3068.10    429.758  3213.05    418.703  74.211  5.3833  76.055  5.1126  -1.843758      7.424171  
1 1 1 -7  72  20 o 31.175  1.9463  530.308    65.392   545.133    391.793  529.883    66.322   30.527  10.143  31.159  1.9754  -0.6319046     10.33309  
1 1 1 -7  72  21 o 15.322  6.8400  -69.9191   231.235  118.455    344.948  -223.6492  311.618  21.537  8.9560  16.090  7.4672  5.446844       11.66054  
1 1 1 -7  72  22 o 41.439  6.0767  1000.79    264.635  987.051    406.861  1010.86    348.404  39.224  9.6443  40.540  8.2160  -1.315948      12.66942  
1 1 1 -7  72  23 o 63.255  4.6759  2261.32    318.083  1994.26    540.333  2402.95    393.489  56.213  9.1925  64.587  5.6828  -8.374138      10.80720  
1 1 1 -7  72  24 o 48.034  4.7629  1316.46    244.526  1662.70    502.059  1208.79    279.978  50.601  9.5097  45.452  5.8210  5.149746       11.14984  
1 1 1 -7  72  25 o 15.982  6.9812  2.0497     228.686  -382.6503  446.891  138.527    266.177  17.720  8.4410  19.388  7.9452  -1.668791      11.59211  
1 1 1 -7  72  26 o 19.548  7.5411  191.919    226.030  164.008    464.518  200.577    258.725  22.997  9.9993  20.300  7.9992  2.696873       12.80522  
1 1 1 -7  72  27 o 27.058  9.1058  489.468    315.687  0.0000     0.0000   489.468    315.687  ?       ?       27.058  9.1058  0.000000       9.105755  
1 1 1 -7  73  1  o 88.558  2.8438  4255.49    272.769  4114.53    383.856  4399.28    387.679  86.989  4.0741  89.957  3.9789  -2.968071      5.694771  
1 1 1 -7  73  2  o 100.910 2.7743  5524.95    303.215  5086.60    415.720  6023.20    443.221  96.729  3.9680  105.266 3.8874  -8.537453      5.554941  
1 1 1 -7  73  3  o 170.775 4.9469  15890.65   915.007  15268.85   1291.10  16518.10   1296.95  166.849 7.1444  173.615 6.8971  -6.765961      9.930373  
1 1 1 -7  73  4  o 160.806 4.7984  14086.85   835.737  13721.73   1185.69  14447.36   1178.16  158.206 6.9196  162.397 6.6982  -4.191528      9.630478  
1 1 1 -7  73  5  o 109.194 4.0280  6485.05    476.388  6825.42    679.610  6156.24    667.971  111.654 5.6380  105.981 5.8417  5.672134       8.118635  
1 1 1 -7  73  6  f 160.524 3.4399  14000.84   598.074  13942.71   848.325  14058.28   843.305  159.919 4.8977  160.591 4.8483  -0.6721344     6.891566  
1 1 1 -7  73  7  o 37.175  4.2785  762.222    169.128  633.782    260.829  855.402    222.162  33.304  7.4208  39.222  5.3707  -5.918011      9.160370  
1 1 1 -7  73  8  o 56.735  3.2232  1754.38    197.245  1823.97    284.664  1690.11    273.562  57.667  4.5957  55.497  4.5923  2.169640       6.496964  
1 1 1 -7  73  9  o 227.162 4.3035  28115.47   1058.84  27432.78   1497.53  28797.96   1497.31  223.669 6.1816  229.236 6.0306  -5.566406      8.635948  
1 1 1 -7  73  10 o 87.877  3.0110  4195.52    286.582  4254.75    419.139  4143.52    392.726  88.337  4.3807  87.204  4.1580  1.133003       6.039853  
1 1 1 -7  73  11 o 55.662  3.3852  1691.54    203.117  1561.66    294.640  1809.16    280.392  53.178  5.1814  57.392  4.5479  -4.214188      6.894210  
1 1 1 -7  73  12 o 128.130 3.1506  8928.00    437.236  8519.16    621.381  9328.95    615.352  124.870 4.5944  130.730 4.3459  -5.860725      6.324178  
1 1 1 -7  73  13 o 59.196  3.4471  1914.36    220.058  1638.68    315.988  2173.98    306.641  54.383  5.4375  62.907  4.5309  -8.523991      7.077816  
1 1 1 -7  73  14 o 120.324 3.1371  7879.58    408.841  8130.52    583.154  7637.00    573.346  121.930 4.4157  118.154 4.4802  3.775490       6.290549  
1 1 1 -7  73  15 f 70.196  3.2633  2684.43    248.112  2711.57    361.443  2660.25    341.198  70.155  4.7853  69.541  4.5552  0.6143799      6.606723  
1 1 1 -7  73  16 o 31.921  1.3556  552.448    46.870   584.909    271.093  551.448    47.586   31.643  7.9266  31.891  1.3776  -0.2482109     8.045440  
1 1 1 -7  73  17 o 16.068  6.5794  56.068     182.351  -157.5905  269.498  236.490    247.651  15.685  7.1554  22.125  8.0202  -6.439675      10.74818  
1 1 1 -7  73  18 o 48.905  4.9943  1333.13    260.835  1152.63    414.482  1451.47    335.626  44.087  8.9851  50.663  6.2488  -6.576641      10.94435  
1 1 1 -7  73  19 o 24.057  7.8914  322.041    237.455  66.423     367.748  504.822    310.971  21.604  9.1320  29.326  8.9623  -7.722607      12.79516  
1 1 1 -7  73  20 o 23.685  7.8067  315.054    232.282  275.044    335.982  351.686    321.489  24.289  9.2371  25.649  9.1577  -1.359138      13.00721  
1 1 1 -7  73  21 o 32.413  7.3134  630.857    250.643  605.338    375.111  651.440    336.888  31.217  9.8910  32.352  9.1856  -1.134916      13.49844  
1 1 1 -7  73  22 o 35.190  7.0919  746.862    260.965  669.841    400.439  803.722    344.063  32.143  10.223  35.602  8.9363  -3.458656      13.57837  
1 1 1 -7  73  23 o 19.455  7.9212  132.318    262.449  -95.7453   438.974  259.188    327.409  20.398  9.2375  23.102  9.0300  -2.703459      12.91788  
1 1 1 -7  73  24 o 27.694  7.3803  477.768    225.381  827.308    462.485  368.903    258.103  34.409  10.991  24.578  8.2337  9.830708       13.73324  
1 1 1 -7  73  25 o 23.379  7.6705  336.443    224.346  59.389     464.785  420.601    256.164  22.049  9.7788  25.717  8.1764  -3.667170      12.74677  
1 1 1 -7  73  26 o 46.035  5.1295  1235.32    251.413  1089.74    513.108  1281.31    288.405  37.967  11.492  46.404  5.8695  -8.436668      12.90454  
1 1 1 -7  74  1  o 70.455  2.8643  2694.00    218.576  2633.56    310.457  2753.41    307.787  69.456  4.1458  71.042  4.0165  -1.585396      5.772318  
1 1 1 -7  74  2  o 17.732  6.0742  157.411    140.503  265.956    194.247  38.308     203.476  22.258  7.1246  16.608  6.8900  5.650475       9.911251  
1 1 1 -7  74  3  o 107.717 4.0752  6311.73    475.449  6083.39    671.196  6541.71    673.585  105.332 5.9071  109.283 5.7106  -3.950592      8.216105  
1 1 1 -7  74  4  o 77.945  3.2122  3299.59    271.182  3485.31    341.114  2980.63    447.035  80.052  3.9342  73.653  5.6468  6.398972       6.882153  
1 1 1 -7  74  5  o 63.015  2.9443  2155.80    200.957  2118.08    286.204  2192.47    282.229  62.232  4.2720  63.340  4.1366  -1.107399      5.946561  
1 1 1 -7  74  6  o 157.536 3.4150  13486.64   582.693  13398.31   824.893  13574.61   823.213  156.741 4.8590  157.779 4.8172  -1.037308      6.842138  
1 1 1 -7  74  7  o 98.309  2.9411  5247.88    313.169  5384.37    448.270  5117.76    437.694  99.446  4.1618  96.952  4.1682  2.494087       5.890198  
1 1 1 -7  74  8  o 41.109  4.0089  928.632    176.229  901.285    266.135  949.986    235.177  40.061  6.3449  41.351  5.3783  -1.289654      8.317705  
1 1 1 -7  74  9  o 73.831  3.0400  2961.54    243.099  2735.17    352.894  3165.99    335.363  70.653  4.6372  76.130  4.0820  -5.477249      6.177908  
1 1 1 -7  74  10 o 68.728  3.1000  2567.44    230.766  2278.24    334.461  2830.21    318.806  64.398  4.8303  71.945  4.1083  -7.547348      6.341143  
1 1 1 -7  74  11 o 63.515  3.1203  2193.41    214.656  2120.04    303.223  2267.11    303.917  62.145  4.5363  64.302  4.3900  -2.157116      6.312662  
1 1 1 -7  74  12 o 54.476  3.4003  1621.51    199.625  1671.72    281.649  1570.83    282.980  55.085  4.7677  53.348  4.9540  1.737167       6.875502  
1 1 1 -7  74  13 o 99.157  3.1269  5349.56    335.821  5410.83    492.919  5296.49    458.763  99.458  4.5758  98.458  4.3020  0.9995193      6.280500  
1 1 1 -7  74  14 o 63.583  3.3470  2208.46    229.683  2044.70    333.686  2355.90    316.626  60.817  5.1132  65.455  4.4933  -4.638226      6.806962  
1 1 1 -7  74  15 o 103.835 3.1259  5872.90    351.549  5982.35    516.216  5778.25    480.079  104.456 4.5627  102.726 4.3148  1.730713       6.279834  
1 1 1 -7  74  16 o 93.645  3.2260  4781.45    327.207  4660.45    486.544  4881.37    442.119  91.921  4.9047  94.364  4.3258  -2.442986      6.539734  
1 1 1 -7  74  17 f 51.576  4.0152  1466.16    222.534  1359.83    325.861  1559.08    304.632  49.040  6.2791  52.835  5.3992  -3.794651      8.281236  
1 1 1 -7  74  18 o 66.322  3.9116  2419.08    279.742  2375.12    418.199  2454.68    376.335  65.047  6.0036  66.399  5.2764  -1.351662      7.992751  
1 1 1 -7  74  19 o 95.535  3.4458  4997.63    356.558  4583.56    528.848  5342.72    482.792  90.617  5.4130  98.386  4.5306  -7.768860      7.058864  
1 1 1 -7  74  20 o 44.100  2.3468  1062.92    111.690  1009.64    383.720  1067.85    116.745  40.656  8.9560  44.185  2.4490  -3.529167      9.284793  
1 1 1 -7  74  21 o 67.586  4.1533  2545.73    302.561  2626.34    457.782  2483.20    403.173  67.413  6.3443  65.934  5.7017  1.478485       8.529924  
1 1 1 -7  74  22 f 47.559  5.3141  1296.34    269.057  1132.55    401.004  1430.46    362.857  42.335  9.0213  49.027  7.0349  -6.691635      11.44004  
1 1 1 -7  74  23 o 18.001  7.7731  30.356     276.847  -116.2372  518.125  88.933     327.522  21.731  9.9166  20.151  8.5726  1.579933       13.10831  
1 1 1 -7  74  24 o 23.501  7.6216  336.747    221.738  224.960    457.390  371.092    253.523  24.159  10.197  24.555  8.1588  -0.3957787     13.05913  
1 1 1 -7  74  25 o 29.905  7.2026  561.860    230.516  535.853    476.104  569.824    263.454  28.524  10.960  29.710  8.0063  -1.185486      13.57325  
1 1 1 -7  74  26 o 41.354  6.5189  1041.20    282.318  0.0000     0.0000   1041.20    282.318  ?       ?       41.354  6.5189  0.000000       6.518940  
1 1 1 -7  75  1  o 74.833  3.7020  3044.44    300.056  2590.33    422.966  3504.51    425.733  68.608  5.7448  80.020  4.9362  -11.41227      7.574240  
1 1 1 -7  75  2  o 114.675 4.0661  7155.04    505.032  6764.98    714.582  7544.31    713.865  111.052 5.9628  117.505 5.6090  -6.453278      8.186314  
1 1 1 -7  75  3  o 132.419 3.1179  9522.67    447.185  9143.79    632.703  9900.85    632.127  129.561 4.5087  134.848 4.3280  -5.287674      6.249840  
1 1 1 -7  75  4  o 148.737 3.3161  12019.39   534.209  11708.11   756.749  12328.60   754.228  146.546 4.7677  150.408 4.6298  -3.861588      6.645730  
1 1 1 -7  75  5  o 165.022 3.5064  14802.47   626.725  14233.95   888.842  15364.59   883.825  161.494 5.0816  167.840 4.8618  -6.346344      7.032767  
1 1 1 -7  75  6  o 90.850  2.8270  4480.96    278.177  4451.97    394.886  4509.52    391.933  90.439  4.0313  91.028  3.9753  -0.5889740     5.661650  
1 1 1 -7  75  7  o 164.342 3.4562  14684.00   615.202  15185.69   875.208  14194.01   864.938  166.811 4.8441  161.244 4.9526  5.566635       6.927740  
1 1 1 -7  75  8  o 112.799 2.9750  6911.83    363.461  6751.58    522.878  7061.66    505.582  111.291 4.3378  113.857 4.0998  -2.566620      5.968647  
1 1 1 -7  75  9  o 147.969 3.3128  11906.24   530.935  12267.58   749.645  11542.56   752.070  149.907 4.6170  145.369 4.7766  4.537933       6.643248  
1 1 1 -7  75  10 o 78.800  3.0003  3374.92    256.070  3411.85    370.121  3341.00    354.651  78.957  4.3447  78.157  4.2050  0.8004990      6.046332  
1 1 1 -7  75  11 o 105.749 2.9787  6079.06    341.170  5493.05    482.128  6666.81    482.848  100.291 4.4384  110.569 4.0319  -10.27757      5.996289  
1 1 1 -7  75  12 o 205.403 4.0036  23017.31   890.685  23738.64   1263.92  22305.72   1255.36  207.860 5.6141  201.416 5.7544  6.444244       8.039387  
1 1 1 -7  75  13 o 64.166  3.3904  2248.99    234.796  2102.21    346.092  2374.15    319.593  61.663  5.2314  65.719  4.5173  -4.056808      6.911815  
1 1 1 -7  75  14 o 79.499  3.2108  3442.59    276.469  3267.68    409.420  3589.19    374.836  76.998  4.9353  80.879  4.2943  -3.880714      6.542011  
1 1 1 -7  75  15 o 130.665 3.3094  9309.05    468.354  9272.66    683.424  9341.29    643.117  129.903 4.8574  130.498 4.5500  -0.5955353     6.655598  
1 1 1 -7  75  16 o 128.673 3.2906  9033.61    458.602  9290.04    674.089  8812.64    625.730  129.946 4.7894  126.656 4.5613  3.290733       6.613953  
1 1 1 -7  75  17 o 45.189  4.8811  1138.06    235.104  930.693    389.527  1256.90    294.869  39.469  9.2698  47.225  5.8931  -7.755600      10.98449  
1 1 1 -7  75  18 o 59.257  4.1062  1937.52    261.918  1846.78    382.267  2017.82    359.588  57.142  6.2801  60.011  5.5969  -2.869007      8.412215  
1 1 1 -7  75  19 o 35.370  6.3501  723.867    234.327  644.845    343.114  792.938    320.788  32.612  9.2738  36.363  8.3245  -3.751450      12.46195  
1 1 1 -7  75  20 o 35.785  6.4682  749.494    241.469  843.428    351.560  665.602    332.236  36.974  8.8884  32.803  9.0544  4.171761       12.68805  
1 1 1 -7  75  21 o 54.585  4.7419  1681.80    277.560  1576.25    410.887  1770.38    376.430  51.245  7.6360  55.113  6.4267  -3.867901      9.980566  
1 1 1 -7  75  22 o 56.023  2.6255  1719.91    159.313  1620.10    424.099  1736.31    171.903  51.642  7.8275  56.167  2.8349  -4.524883      8.325063  
1 1 1 -7  75  23 o 9.9014  2.7995  55.321     31.360   -250.4426  397.399  57.237     31.458   17.842  8.3309  10.055  2.7902  7.786194       8.785701  
1 1 1 -7  75  24 o 78.313  2.5180  3367.19    213.581  3409.12    600.088  3361.11    228.547  74.625  7.5272  78.162  2.6997  -3.537308      7.996697  
1 1 1 -7  75  25 o 35.237  6.6529  761.531    244.603  280.598    584.050  863.828    269.364  25.892  11.235  37.426  6.8991  -11.53432      13.18432  
1 1 1 -7  76  1  o 169.443 4.9284  15660.83   904.489  15130.55   1280.52  16188.83   1277.76  165.901 7.1264  171.695 6.8710  -5.793777      9.899295  
1 1 1 -7  76  2  o 115.497 2.9219  7242.55    365.515  7247.81    515.589  7237.23    518.255  115.393 4.1253  115.306 4.1498  0.8775330E-01  5.851354  
1 1 1 -7  76  3  o 60.711  3.0811  2006.89    201.939  1876.99    284.722  2138.38    286.456  58.519  4.5274  62.524  4.2553  -4.005363      6.213270  
1 1 1 -7  76  4  o 83.402  2.8685  3776.53    259.117  3793.76    372.671  3760.41    360.526  83.479  4.1217  83.123  4.0045  0.3555145      5.746679  
1 1 1 -7  76  5  o 90.610  2.8655  4457.96    281.221  4440.30    403.690  4474.62    391.981  90.303  4.1274  90.668  3.9916  -0.3642273     5.741754  
1 1 1 -7  76  6  o 54.551  3.2145  1622.70    189.087  1599.11    277.938  1643.04    257.994  53.923  4.8094  54.733  4.3890  -0.8099899     6.510999  
1 1 1 -7  76  7  o 131.536 3.1689  9402.97    451.460  9529.04    641.462  9279.24    635.503  132.183 4.4805  130.435 4.4983  1.747696       6.349002  
1 1 1 -7  76  8  o 225.684 4.4704  27790.48   1092.73  28419.93   1457.53  26982.60   1651.25  227.589 5.9128  221.245 6.8908  6.343918       9.079891  
1 1 1 -7  76  9  o 160.623 3.4672  14038.55   603.186  14152.69   857.063  13926.53   849.060  160.888 4.9183  159.599 4.9118  1.288651       6.950931  
1 1 1 -7  76  10 o 105.404 2.9690  6038.94    338.947  5586.37    479.554  6490.72    479.134  101.160 4.3768  109.102 4.0546  -7.942833      5.966311  
1 1 1 -7  76  11 o 128.854 3.1834  9032.64    444.280  9142.44    636.846  8928.53    620.101  129.330 4.5464  127.826 4.4789  1.504562       6.382025  
1 1 1 -7  76  12 o 76.936  3.0675  3220.42    255.612  3307.31    368.318  3139.69    355.028  77.658  4.3970  75.668  4.3502  1.989960       6.185271  
1 1 1 -7  76  13 o 43.073  4.1708  1023.36    192.144  1236.07    275.527  821.970    268.090  47.088  5.5064  37.963  6.7682  9.124687       8.725187  
1 1 1 -7  76  14 o 98.495  3.0774  5283.38    328.302  4968.99    472.789  5576.14    456.230  95.195  4.5855  100.951 4.1726  -5.755630      6.199757  
1 1 1 -7  76  15 o 47.662  4.0164  1251.72    205.404  1017.10    300.765  1456.81    281.193  42.217  6.8093  51.182  5.1420  -8.964359      8.532681  
1 1 1 -7  76  16 o 43.399  4.5090  1045.53    208.854  1187.25    321.325  941.855    274.824  45.655  6.6972  40.642  6.4594  5.012974       9.304640  
1 1 1 -7  76  17 o 73.584  3.5127  2960.47    279.958  2716.62    424.799  3147.71    372.229  69.745  5.6725  75.495  4.5738  -5.749840      7.286760  
1 1 1 -7  76  18 o 52.598  4.3274  1533.53    244.341  1402.85    404.603  1608.54    306.554  49.014  7.8892  53.559  5.3563  -4.544979      9.535707  
1 1 1 -7  76  19 o 26.337  7.8129  409.880    238.911  548.166    378.495  318.291    308.030  30.299  9.9642  24.666  8.9441  5.632107       13.38967  
1 1 1 -7  76  20 o 17.129  7.1564  57.874     221.715  136.327    326.782  -9.0471    301.810  21.263  8.7688  18.369  8.0221  2.894114       11.88464  
1 1 1 -7  76  21 o 17.003  7.2740  28.316     238.226  -150.2343  349.640  183.028    325.463  17.801  8.1321  21.875  8.8523  -4.073864      12.02055  
1 1 1 -7  76  22 o 26.044  8.4249  415.610    271.075  483.285    450.631  377.236    339.336  28.473  10.729  25.602  9.3717  2.870985       14.24541  
1 1 1 -7  76  23 o 24.432  8.3246  361.037    263.879  452.659    418.612  300.625    339.920  27.377  10.335  23.864  9.2361  3.512411       13.86037  
1 1 1 -7  76  24 o 25.608  7.5195  411.644    222.262  519.865    424.796  370.849    260.810  28.282  10.463  24.487  8.2764  3.794666       13.34099  
1 1 1 -7  76  25 o 19.965  7.5291  209.372    222.035  315.587    444.634  174.087    256.275  24.894  10.243  19.792  7.9092  5.101238       12.94104  
1 1 1 -7  77  1  o 62.955  2.8735  2151.94    195.934  2157.39    274.853  2146.30    279.389  62.824  4.0610  62.650  4.1407  0.1741562      5.799756  
1 1 1 -7  77  2  o 69.623  2.8346  2631.83    213.751  2786.32    299.573  2471.62    305.083  71.453  3.8855  67.238  4.2105  4.215355       5.729308  
1 1 1 -7  77  3  o 90.743  2.8755  4471.20    282.615  4422.83    400.183  4519.32    399.175  90.126  4.0995  91.111  4.0450  -0.9843140     5.759230  
1 1 1 -7  77  4  o 128.312 3.1119  8944.69    432.479  8447.90    614.622  9431.89    608.656  124.470 4.5590  131.574 4.2710  -7.104424      6.247112  
1 1 1 -7  77  5  o 69.782  2.9039  2644.73    219.477  2861.82    312.813  2434.24    308.018  72.387  4.0054  66.699  4.2864  5.687233       5.866549  
1 1 1 -7  77  6  o 111.616 3.0215  6768.81    365.278  6673.67    522.636  6859.66    510.732  110.633 4.3616  112.191 4.2030  -1.558182      6.057143  
1 1 1 -7  77  7  o 17.224  6.0175  145.181    138.206  236.760    197.343  57.029     193.616  21.373  7.1994  16.610  6.7879  4.763367       9.894816  
1 1 1 -7  77  8  o 109.691 3.0038  6539.20    356.878  6592.94    513.762  6489.09    496.103  109.934 4.3148  109.086 4.1989  0.8481750      6.020633  
1 1 1 -7  77  9  o 82.466  2.9368  3696.10    262.318  3625.22    373.922  3764.80    368.094  81.404  4.2558  83.090  4.0901  -1.686516      5.902610  
1 1 1 -7  77  10 o 24.294  6.0941  337.398    160.077  388.148    238.401  295.731    216.016  26.227  7.8101  23.344  7.5176  2.883278       10.84026  
1 1 1 -7  77  11 o 72.004  3.1118  2820.76    242.685  2746.24    350.698  2889.25    336.180  70.707  4.6044  72.598  4.2945  -1.890457      6.296313  
1 1 1 -7  77  12 o 82.573  3.1271  3711.23    279.668  3628.07    405.975  3786.34    385.815  81.270  4.6313  83.109  4.3008  -1.838951      6.320266  
1 1 1 -7  77  13 o 35.516  1.6963  684.240    65.254   491.281    284.179  694.981    67.046   29.187  8.4833  35.793  1.7294  -6.606068      8.657746  
1 1 1 -7  77  14 o 35.850  5.3657  723.150    201.939  308.642    327.384  977.714    256.561  25.262  9.2115  41.671  5.8452  -16.40913      10.90957  
1 1 1 -7  77  15 o 68.473  3.4093  2559.47    252.848  2531.40    380.901  2581.58    338.079  67.539  5.2482  68.401  4.5899  -0.8622894     6.972175  
1 1 1 -7  77  16 o 19.507  7.0939  179.766    193.975  23.216     328.654  263.452    240.292  20.051  8.5600  22.638  7.9332  -2.587318      11.67085  
1 1 1 -7  77  17 o 67.881  3.8640  2534.33    282.910  2782.81    431.592  2347.12    374.619  70.522  5.6991  64.847  5.3824  5.675598       7.838972  
1 1 1 -7  77  18 o 55.905  4.4274  1735.45    265.887  1491.26    401.201  1926.70    355.055  50.610  7.5500  58.473  5.6778  -7.863136      9.446722  
1 1 1 -7  77  19 o 18.277  7.3432  109.125    222.214  -219.6459  327.340  390.132    302.629  16.615  7.6906  26.113  8.9148  -9.497705      11.77364  
1 1 1 -7  77  20 o 5.6404  2.4492  -4.3948    27.792   -136.2713  328.840  -3.4460    27.892   17.433  7.9337  5.6979  2.4638  11.73481       8.307516  
1 1 1 -7  77  21 o 17.954  7.4718  78.141     240.357  171.265    366.329  7.7473     318.499  22.428  9.2699  18.911  8.2503  3.517469       12.40962  
1 1 1 -7  77  22 o 23.078  8.1497  304.421    253.941  208.350    383.460  379.464    338.905  23.121  9.5126  25.588  9.3659  -2.467390      13.34948  
1 1 1 -7  77  23 o 24.634  8.3626  370.345    266.286  705.089    421.976  148.834    343.264  32.130  10.519  21.255  8.8944  10.87526       13.77517  
1 1 1 -7  77  24 o 57.403  4.3685  1871.87    269.569  2112.68    505.780  1776.32    318.590  57.718  8.3318  55.247  5.3929  2.471169       9.924832  
1 1 1 -7  77  25 o 18.800  7.3600  163.357    217.774  -1.4971    420.997  223.585    254.464  20.505  9.1859  20.804  8.0081  -0.2990475     12.18649  
1 1 1 -7  78  1  o 93.413  2.8587  4738.63    289.229  4468.60    407.424  5012.96    410.659  90.574  4.1531  95.958  3.9512  -5.384636      5.732389  
1 1 1 -7  78  2  o 23.860  4.9658  322.293    124.155  155.327    170.943  508.700    180.620  18.417  6.6653  29.988  5.7704  -11.57072      8.816112  
1 1 1 -7  78  3  o 24.790  5.5448  349.418    145.148  194.882    203.397  509.782    207.197  20.331  7.2814  29.890  6.5784  -9.559420      9.812983  
1 1 1 -7  78  4  o 114.895 3.0007  7171.85    373.414  6678.82    530.404  7656.34    525.799  110.667 4.4250  118.549 4.0950  -7.881264      6.029097  
1 1 1 -7  78  5  o 69.214  2.9245  2602.53    219.236  2361.05    312.283  2837.21    307.857  65.648  4.4177  72.066  3.9593  -6.418625      5.932258  
1 1 1 -7  78  6  o 106.341 2.9530  6144.47    340.125  6338.90    479.657  5947.84    482.373  107.844 4.1064  104.438 4.2643  3.405609       5.920094  
1 1 1 -7  78  7  o 125.035 3.0992  8498.58    419.712  8458.92    598.723  8536.90    588.533  124.497 4.4402  125.090 4.3439  -0.5932159     6.211631  
1 1 1 -7  78  8  o 29.002  5.4603  475.732    165.223  736.950    233.549  214.018    233.772  36.119  6.1929  21.475  7.7910  14.64448       9.952473  
1 1 1 -7  78  9  o 76.248  3.0387  3161.13    250.948  2785.45    364.833  3498.48    345.725  71.213  4.7574  80.098  3.9851  -8.885017      6.205995  
1 1 1 -7  78  10 o 37.516  4.5686  780.721    181.805  695.852    283.543  839.974    236.916  34.710  7.7394  38.663  5.8396  -3.952709      9.695336  
1 1 1 -7  78  11 o 78.392  3.1306  3344.54    265.810  3356.78    386.951  3333.61    365.767  78.183  4.5897  77.967  4.3487  0.2161179      6.322659  
1 1 1 -7  78  12 f 35.878  5.2089  721.618    196.502  733.823    309.936  713.415    254.100  35.479  8.2256  35.263  6.9000  0.2158699      10.73641  
1 1 1 -7  78  13 o 48.013  3.9202  1268.01    202.082  1373.88    289.043  1166.79    282.639  49.643  5.4663  45.601  5.8580  4.041721       8.012297  
1 1 1 -7  78  14 o 68.341  3.4112  2548.67    252.499  2476.65    376.383  2607.61    340.484  66.830  5.2419  68.767  4.5979  -1.936699      6.972650  
1 1 1 -7  78  15 o 59.460  3.5613  1938.61    228.294  2040.22    335.036  1850.54    311.916  60.603  5.1531  57.730  5.0390  2.873554       7.207323  
1 1 1 -7  78  16 o 25.461  6.6793  376.289    186.490  335.794    280.816  408.239    249.436  25.016  8.5867  26.605  8.0039  -1.588995      11.73857  
1 1 1 -7  78  17 o 55.074  2.6995  1653.34    161.025  1824.98    446.910  1627.73    172.619  56.218  7.5287  54.537  2.9331  1.681599       8.079865  
1 1 1 -7  78  18 o 119.103 3.4190  7781.58    441.059  8036.03    650.246  7564.76    600.252  120.166 4.9960  116.742 4.7472  3.424171       6.891756  
1 1 1 -7  78  19 o 82.920  3.6400  3791.24    326.910  3963.74    491.332  3654.22    437.906  83.708  5.4489  80.610  5.0409  3.098740       7.423041  
1 1 1 -7  78  20 o 49.365  4.9908  1382.71    263.178  1188.63    399.079  1532.06    350.095  43.778  8.7228  51.242  6.4510  -7.463890      10.84907  
1 1 1 -7  78  21 o 67.313  2.9827  2490.97    217.462  2243.75    519.178  2543.56    239.482  60.714  8.0969  67.923  3.2553  -7.208500      8.726742  
1 1 1 -7  78  22 f 39.350  6.4488  922.528    265.324  898.647    395.324  942.102    357.910  36.839  9.7541  38.368  8.7999  -1.529140      13.13697  
1 1 1 -7  78  23 o 19.466  8.0731  122.880    279.215  -60.1035   502.235  204.734    335.909  21.689  9.8454  21.983  8.9574  -0.2939510     13.31036  
1 1 1 -7  78  24 o 51.311  4.5838  1504.81    252.064  1533.49    489.773  1494.48    293.987  47.707  9.8063  50.596  5.4507  -2.889229      11.21935  
1 1 1 -7  79  1  o 71.664  2.8495  2789.52    221.179  2791.13    311.358  2787.89    314.250  71.467  4.0389  71.419  4.0794  0.4811096E-01  5.740612  
1 1 1 -7  79  2  o 119.341 2.9787  7738.01    385.029  7590.10    543.065  7887.50    545.974  117.997 4.2492  120.298 4.1903  -2.300369      5.967782  
1 1 1 -7  79  3  o 109.641 2.9804  6531.58    353.937  6544.95    501.261  6518.28    499.827  109.572 4.2237  109.349 4.2202  0.2229004      5.970755  
1 1 1 -7  79  4  o 77.249  2.8462  3241.52    238.140  3100.78    336.568  3382.60    336.993  75.313  4.1419  78.701  3.9661  -3.387688      5.734614  
1 1 1 -7  79  5  o 173.012 3.5787  16290.31   670.619  16335.97   948.438  16244.66   948.359  172.828 5.0667  172.340 5.0806  0.4883423      7.175239  
1 1 1 -7  79  6  o 98.946  2.9308  5320.02    314.090  5353.69    446.082  5286.91    442.324  99.088  4.1565  98.469  4.1473  0.6184692      5.871675  
1 1 1 -7  79  7  o 76.060  2.9939  3144.61    246.638  3023.11    358.809  3253.43    339.583  74.274  4.4812  77.137  4.0790  -2.863144      6.059687  
1 1 1 -7  79  8  o 66.209  3.1282  2384.04    224.326  2578.72    330.640  2217.99    305.356  68.565  4.4769  63.570  4.4632  4.994717       6.321581  
1 1 1 -7  79  9  o 71.366  3.1727  2771.09    245.241  2758.02    367.521  2781.59    329.269  70.823  4.8198  71.238  4.2874  -0.4151459     6.450779  
1 1 1 -7  79  10 o 103.372 3.0317  5813.45    339.435  5722.65    483.501  5901.68    476.639  102.312 4.3631  103.929 4.2343  -1.616455      6.080005  
1 1 1 -7  79  11 o 53.205  3.6050  1550.72    206.519  1662.39    297.242  1446.51    287.143  54.802  5.0650  51.041  5.2699  3.760895       7.309341  
1 1 1 -7  79  12 o 56.160  3.6208  1728.00    219.070  1785.03    323.115  1679.48    298.028  56.710  5.3227  55.061  5.0538  1.649628       7.339789  
1 1 1 -7  79  13 o 17.309  6.6731  113.276    176.910  19.796     271.337  182.397    233.321  18.376  7.8097  20.558  7.7250  -2.182016      10.98485  
1 1 1 -7  79  14 o 55.505  2.3749  1674.88    142.775  1626.44    337.838  1685.42    157.534  53.870  5.8859  55.657  2.6133  -1.786835      6.439976  
1 1 1 -7  79  15 o 65.555  2.6787  2339.51    190.194  2621.14    359.094  2229.70    224.229  68.820  4.8485  63.838  3.2537  4.981895       5.839084  
1 1 1 -7  79  16 o 46.641  2.0116  1182.08    101.618  988.770    390.107  1196.15    105.252  40.640  9.0902  46.913  2.0714  -6.273548      9.323241  
1 1 1 -7  79  17 o 96.273  3.3361  5074.44    347.866  5310.32    513.717  4874.68    472.745  97.897  4.8449  93.880  4.6493  4.017418       6.714816  
1 1 1 -7  79  18 o 53.059  4.8107  1579.44    273.458  1336.33    448.238  1723.56    345.124  46.705  9.1882  54.988  5.8863  -8.282738      10.91196  
1 1 1 -7  79  19 o 57.869  4.6251  1881.16    287.471  1457.74    462.438  2147.85    366.999  48.442  9.1492  61.372  5.5821  -12.93037      10.71763  
1 1 1 -7  79  20 o 54.216  4.8955  1664.07    284.367  2077.75    460.317  1408.76    361.622  59.127  7.3462  48.733  7.0565  10.39405       10.18635  
1 1 1 -7  79  21 o 79.502  3.0515  3478.97    262.765  3430.52    490.053  3498.52    311.299  77.068  5.9159  79.466  3.6168  -2.397888      6.933944  
1 1 1 -7  79  22 o 19.291  7.7250  148.588    245.031  180.824    370.549  123.538    326.643  22.340  9.2855  20.606  8.6528  1.733429       12.69223  
1 1 1 -7  79  23 o 18.591  7.7769  97.478     262.302  147.672    412.988  63.540     339.591  22.386  9.5773  19.827  8.5853  2.558811       12.86203  
1 1 1 -7  79  24 o 49.020  4.7676  1379.91    249.927  2072.87    488.561  1134.29    290.867  57.405  8.0815  43.459  6.3684  13.94638       10.28915  
1 1 1 -7  80  1  o 93.500  2.9188  4749.69    295.585  4284.77    418.874  5210.84    417.171  88.629  4.3635  97.804  3.9381  -9.174896      5.877856  
1 1 1 -7  80  2  o 133.327 3.1735  9663.83    458.280  9265.19    647.861  10063.07   648.350  130.276 4.5914  135.812 4.4076  -5.536224      6.364596  
1 1 1 -7  80  3  o 123.188 3.0900  8248.57    412.287  7900.06    580.904  8602.31    585.243  120.319 4.4576  125.586 4.3026  -5.266502      6.195329  
1 1 1 -7  80  4  f 73.333  2.8815  2921.90    228.868  2876.96    326.179  2965.48    321.215  72.520  4.1702  73.653  4.0420  -1.132896      5.807625  
1 1 1 -7  80  5  o 87.218  2.9956  4134.58    282.980  4308.31    412.200  3979.71    389.179  88.864  4.2827  85.419  4.2066  3.444916       6.003027  
1 1 1 -7  80  6  o 74.998  3.0238  3057.72    245.620  3058.31    365.916  3057.24    331.367  74.691  4.5448  74.761  4.1080  -0.6967926E-01 6.126265  
1 1 1 -7  80  7  o 34.610  4.3466  664.095    159.342  759.758    229.333  574.811    221.555  36.719  5.9717  31.700  6.6644  5.019060       8.948514  
1 1 1 -7  80  8  o 15.342  6.1411  64.857     154.784  83.597     229.423  49.201     209.700  18.336  7.4281  16.971  7.0140  1.364880       10.21625  
1 1 1 -7  80  9  o 59.687  3.4796  1947.32    223.972  1969.96    315.294  1924.25    318.215  59.763  4.9145  59.037  5.0243  0.7263298      7.028246  
1 1 1 -7  80  10 o 17.308  6.4561  127.812    162.381  132.787    239.219  123.561    221.129  19.637  7.7064  18.921  7.4140  0.7161846      10.69377  
1 1 1 -7  80  11 o 98.312  2.9036  5259.25    309.183  5282.31    462.269  5240.58    415.898  98.238  4.3445  97.946  3.9204  0.2925568      5.851889  
1 1 1 -7  80  12 o 62.105  3.4826  2110.74    233.317  2068.00    343.321  2147.43    318.047  61.071  5.2411  62.370  4.7437  -1.299160      7.069083  
1 1 1 -7  80  13 o 65.972  3.3376  2380.38    237.710  2310.63    339.208  2447.68    333.219  64.635  4.8814  66.598  4.6487  -1.962349      6.740799  
1 1 1 -7  80  14 o 142.914 3.4186  11151.64   529.170  10734.93   765.708  11532.61   732.139  139.541 5.0663  144.827 4.6674  -5.285538      6.888530  
1 1 1 -7  80  15 o 95.080  3.2363  4935.87    333.278  5708.60    502.027  4326.94    445.648  101.848 4.5510  88.518  4.6647  13.32931       6.516967  
1 1 1 -7  80  16 o 96.545  3.3387  5098.66    349.125  4902.95    513.023  5267.48    476.474  93.942  5.0607  97.733  4.5012  -3.791100      6.772871  
1 1 1 -7  80  17 o 86.342  3.4274  4089.67    320.523  4020.44    476.306  4146.96    433.313  84.751  5.2141  86.364  4.6494  -1.613174      6.986004  
1 1 1 -7  80  18 o 28.485  7.2657  487.933    224.874  524.143    347.541  461.856    294.935  29.339  9.5432  27.691  8.7701  1.647692       12.96104  
1 1 1 -7  80  19 o 17.729  1.5476  172.112    29.418   -16.4865   337.488  173.556    29.531   19.172  8.4248  17.804  1.5468  1.368017       8.565620  
1 1 1 -7  80  20 o 23.650  7.8573  327.813    235.135  252.782    349.730  389.709    317.643  23.503  9.2877  25.827  9.1153  -2.323755      13.01352  
1 1 1 -7  80  21 o 57.513  4.5870  1870.39    283.362  1650.53    430.902  2037.90    376.128  51.933  7.9106  59.226  5.9437  -7.292843      9.894668  
1 1 1 -7  80  22 o 27.335  2.4817  412.949    72.675   809.277    405.800  399.816    73.869   34.520  10.167  26.874  2.5691  7.646446       10.48673  
1 1 1 -7  80  23 o 53.750  5.0879  1666.39    292.676  1366.97    440.066  1903.87    391.917  45.630  9.2215  56.410  6.5356  -10.78005      11.30266  
1 1 1 -7  81  1  o 45.407  3.4477  1128.27    168.296  907.235    235.321  1359.69    240.784  40.321  5.5344  49.703  4.5222  -9.382587      7.147012  
1 1 1 -7  81  2  o 133.253 3.1473  9654.46    454.236  9543.07    643.631  9764.99    641.150  132.209 4.4948  133.754 4.4257  -1.544876      6.307917  
1 1 1 -7  81  3  o 124.834 3.1168  8472.84    421.414  8097.72    592.553  8856.75    599.446  121.780 4.4924  127.394 4.3444  -5.613396      6.249466  
1 1 1 -7  81  4  o 19.564  5.9281  211.705    136.475  20.986     186.934  429.380    199.708  15.571  6.5425  27.367  6.7739  -11.79579      9.417552  
1 1 1 -7  81  5  o 151.525 3.3963  12495.68   557.387  12859.03   790.895  12137.12   785.659  153.347 4.7618  148.947 4.8700  4.399719       6.811168  
1 1 1 -7  81  6  o 176.542 3.6920  16981.77   705.954  17026.03   1001.53  16938.06   995.241  176.227 5.2471  175.779 5.2274  0.4478302      7.406638  
1 1 1 -7  81  7  o 11.369  5.1690  -83.8336   139.157  -31.9178   195.247  -137.4310  198.385  14.848  6.4693  13.275  6.0871  1.573497       8.882795  
1 1 1 -7  81  8  o 104.422 2.9805  5930.87    337.098  5963.03    472.780  5897.60    480.778  104.485 4.1777  103.890 4.2727  0.5951691      5.975698  
1 1 1 -7  81  9  f 63.514  2.4664  2191.68    169.669  1956.65    327.727  2277.74    198.315  59.484  5.1372  64.717  2.8292  -5.232899      5.864729  
1 1 1 -7  81  10 o 102.834 3.1499  5758.50    350.832  5783.24    516.041  5737.24    478.397  102.725 4.6381  102.398 4.3135  0.3273773      6.333861  
1 1 1 -7  81  11 o 106.789 2.9730  6208.36    343.862  6701.26    515.602  5813.51    461.477  110.630 4.3030  103.085 4.1332  7.544426       5.966499  
1 1 1 -7  81  12 o 60.689  3.6710  2019.13    240.167  2023.81    368.340  2015.66    316.761  60.246  5.7131  60.356  4.8875  -0.1091919     7.518465  
1 1 1 -7  81  13 o 56.961  3.6077  1779.62    221.426  1805.55    317.718  1755.14    308.762  56.993  5.2044  56.206  5.1283  0.7865448      7.306533  
1 1 1 -7  81  14 o 49.319  4.0428  1341.80    214.060  1192.26    310.666  1476.96    295.367  45.817  6.4379  51.411  5.3842  -5.594002      8.392684  
1 1 1 -7  81  15 o 78.696  3.3332  3385.35    284.110  3290.12    420.366  3465.44    385.482  76.957  5.0717  79.194  4.5128  -2.237282      6.788731  
1 1 1 -7  81  16 o 56.428  2.4824  1735.09    151.715  1584.42    384.042  1762.96    165.148  52.448  6.9303  56.850  2.6821  -4.402122      7.431176  
1 1 1 -7  81  17 o 57.071  4.3671  1815.03    267.900  1902.74    428.965  1758.95    343.020  57.187  7.0766  55.597  5.7809  1.590050       9.137681  
1 1 1 -7  81  18 o 34.617  6.4046  705.205    231.285  471.245    356.642  875.017    303.840  28.114  9.6753  38.089  7.6309  -9.975044      12.32245  
1 1 1 -7  81  19 o 30.029  7.2878  547.126    234.632  788.676    355.723  361.108    312.167  35.276  9.2108  25.251  9.0230  10.02522       12.89393  
1 1 1 -7  81  20 o 28.871  7.6050  513.243    241.120  71.557     362.007  865.444    323.263  20.813  8.9371  37.309  8.2214  -16.49582      12.14345  
1 1 1 -7  81  21 o 20.487  7.8842  200.639    246.597  252.864    385.706  164.533    320.703  23.798  9.6345  21.224  8.7120  2.573597       12.98935  
1 1 1 -7  81  22 o 55.368  5.1009  1762.25    302.459  1618.19    508.158  1841.29    376.392  49.424  9.8387  55.751  6.3464  -6.326927      11.70799  
1 1 1 -7  81  23 o 34.146  7.3030  725.415    261.920  797.588    405.842  673.896    342.887  33.985  10.206  31.761  9.3434  2.224773       13.83697  
1 1 1 -7  82  1  o 64.536  3.0926  2264.70    216.167  2442.06    313.399  2103.75    298.554  66.743  4.3593  61.904  4.4832  4.838566       6.253159  
1 1 1 -7  82  2  o 78.716  2.5032  3364.64    213.417  3477.28    266.354  3162.63    356.690  79.968  3.0752  75.989  4.3519  3.979317       5.328770  
1 1 1 -7  82  3  o 163.721 3.4873  14593.06   618.383  14017.32   872.486  15174.22   876.580  160.001 5.0346  166.536 4.8598  -6.534058      6.997448  
1 1 1 -7  82  4  o 90.410  2.9524  4443.77    289.106  4669.40    405.057  4209.47    412.767  92.520  4.0421  87.797  4.3407  4.723190       5.931282  
1 1 1 -7  82  5  o 50.836  3.6307  1415.00    198.590  1423.46    274.953  1405.78    287.141  50.726  5.0724  50.348  5.3474  0.3782082      7.370491  
1 1 1 -7  82  6  o 62.186  3.2038  2109.98    215.057  2238.96    308.029  1987.31    300.389  63.842  4.4831  60.095  4.6513  3.746899       6.460056  
1 1 1 -7  82  7  o 34.453  4.7584  661.927    172.825  716.976    253.807  614.337    235.988  35.403  6.8668  32.713  6.8787  2.690594       9.719508  
1 1 1 -7  82  8  o 28.314  5.4279  455.078    160.399  333.971    221.603  588.343    232.462  24.464  7.5806  31.975  6.9137  -7.510496      10.25984  
1 1 1 -7  82  9  o 153.614 3.4153  12861.41   568.234  12953.52   809.964  12772.14   797.392  153.657 4.8668  152.594 4.8246  1.062531       6.852944  
1 1 1 -7  82  10 o 91.493  3.0962  4558.87    306.825  4732.59    448.000  4405.40    421.081  92.943  4.4503  89.699  4.3342  3.243729       6.212140  
1 1 1 -7  82  11 o 98.451  2.8839  5276.59    307.518  5336.17    466.167  5230.69    409.178  98.674  4.3618  97.819  3.8621  0.8545609      5.825908  
1 1 1 -7  82  12 o 116.152 3.1759  7355.34    399.548  7569.76    575.986  7156.47    554.707  117.429 4.5286  114.193 4.4849  3.235893       6.373607  
1 1 1 -7  82  13 o 173.568 3.6660  16470.59   689.182  16290.10   979.701  16647.42   969.677  171.752 5.2665  173.696 5.1543  -1.944290      7.369009  
1 1 1 -7  82  14 o 83.308  3.2091  3789.64    289.560  3731.66    417.587  3843.33    401.864  82.152  4.7128  83.464  4.4615  -1.312447      6.489673  
1 1 1 -7  82  15 o 64.812  3.6039  2309.12    251.990  2194.35    375.546  2403.11    339.857  62.521  5.6054  65.749  4.8057  -3.227695      7.383430  
1 1 1 -7  82  16 o 49.676  4.6888  1380.55    249.292  1715.70    393.827  1156.47    322.019  54.526  6.8176  44.602  6.8878  9.923912       9.691338  
1 1 1 -7  82  17 o 62.373  4.0098  2160.86    269.453  2153.33    407.994  2166.69    358.847  61.201  6.2424  61.833  5.4127  -0.6321449     8.262232  
1 1 1 -7  82  18 o 24.256  7.8400  345.403    234.776  -78.4306   393.657  579.379    292.487  19.849  8.8880  30.599  8.5140  -10.75039      12.30791  
1 1 1 -7  82  19 o 22.151  7.6596  275.429    223.651  72.550     347.933  418.283    291.959  20.595  8.8003  26.363  8.7553  -5.768007      12.41367  
1 1 1 -7  82  20 o 36.693  6.6628  804.878    255.041  336.985    391.224  1150.69    336.334  25.427  9.8897  43.609  7.3842  -18.18230      12.34228  
1 1 1 -7  82  21 o 62.194  4.6631  2194.17    311.832  2061.85    520.011  2268.47    389.667  57.301  8.6479  62.467  5.8265  -5.166264      10.42757  
1 1 1 -7  82  22 o 18.015  7.5468  84.740     247.512  -65.4303   389.709  186.271    320.439  19.367  8.7432  21.394  8.7366  -2.027073      12.36009  
1 1 1 -7  82  23 o 41.126  6.2159  1009.64    268.239  771.387    415.612  1179.74    351.173  33.336  10.390  43.478  7.7411  -10.14157      12.95671  
1 1 1 -7  83  1  o 129.853 3.2109  9174.35    451.591  8900.64    649.470  9430.55    628.347  127.561 4.7008  131.381 4.4157  -3.819252      6.449460  
1 1 1 -7  83  2  o 164.843 3.5705  14801.63   637.481  14495.03   897.841  15113.32   905.273  162.638 5.0969  166.095 5.0321  -3.457138      7.162458  
1 1 1 -7  83  3  o 24.230  6.1345  335.847    161.146  344.515    251.597  329.818    209.836  25.129  8.1153  24.271  7.3499  0.8579102      10.94894  
1 1 1 -7  83  4  o 33.863  4.3690  636.679    156.504  560.595    216.187  720.461    226.860  31.292  6.5870  35.690  6.0870  -4.398718      8.968828  
1 1 1 -7  83  5  o 121.612 3.0437  8045.48    400.915  7716.27    563.684  8382.51    570.334  118.811 4.3803  123.868 4.2511  -5.056442      6.104038  
1 1 1 -7  83  6  f 150.538 3.3389  12342.10   544.401  12549.41   771.175  12136.16   768.629  151.378 4.7035  148.842 4.7678  2.536057       6.697398  
1 1 1 -7  83  7  o 20.704  6.5042  235.373    162.510  226.264    238.283  243.295    222.205  21.801  7.8725  21.926  7.6318  -0.1250153     10.96457  
1 1 1 -7  83  8  o 100.496 3.0691  5497.80    334.071  5696.16    480.975  5312.91    464.358  102.027 4.3525  98.536  4.3510  3.491722       6.154274  
1 1 1 -7  83  9  o 76.185  3.1964  3162.04    263.753  3385.58    386.698  2967.57    360.668  78.461  4.5702  73.445  4.5564  5.016403       6.453478  
1 1 1 -7  83  10 o 128.974 3.2461  9067.44    453.451  8922.60    651.722  9203.35    631.317  127.478 4.7201  129.549 4.4993  -2.070976      6.520985  
1 1 1 -7  83  11 o 51.741  2.2022  1454.42    123.416  1465.12    301.605  1452.27    135.259  51.228  5.5232  51.687  2.4161  -0.4590607     6.028509  
1 1 1 -7  83  12 o 20.998  6.9092  237.963    181.972  35.786     276.332  392.775    241.806  18.768  7.9238  26.195  7.8805  -7.426575      11.17537  
1 1 1 -7  83  13 o 86.890  3.1866  4120.54    299.888  3953.94    437.511  4268.17    411.862  84.573  4.7960  88.148  4.3139  -3.575554      6.450659  
1 1 1 -7  83  14 f 52.148  4.1041  1503.18    229.933  1375.46    350.034  1600.12    304.955  49.018  6.7740  53.449  5.3392  -4.431007      8.625188  
1 1 1 -7  83  15 o 47.873  4.7199  1281.37    241.547  1197.00    412.082  1325.54    298.136  44.594  8.8441  48.319  5.8135  -3.724926      10.58371  
1 1 1 -7  83  16 o 42.619  5.6896  1038.97    256.074  1055.27    430.813  1030.06    318.433  41.023  9.8254  41.746  7.3088  -0.7230492     12.24574  
1 1 1 -7  83  17 o 29.359  7.3155  520.092    231.776  619.818    372.908  457.316    295.865  31.459  9.8477  27.531  8.7908  3.927938       13.20063  
1 1 1 -7  83  18 o 44.940  2.5733  1108.11    124.735  1498.11    452.120  1075.98    129.771  49.298  8.7898  44.247  2.7210  5.050777       9.201354  
1 1 1 -7  83  19 o 35.253  6.8878  745.377    253.560  913.382    438.989  661.265    310.614  37.141  10.465  32.394  8.6782  4.746445       13.59492  
1 1 1 -7  83  20 o 19.873  7.8503  167.458    249.774  277.564    434.709  113.192    305.179  24.956  10.182  20.080  8.3932  4.876554       13.19521  
1 1 1 -7  83  21 o 46.710  5.5631  1268.74    275.909  1211.01    434.659  1307.70    357.071  42.899  9.5951  46.300  7.3673  -3.400986      12.09722  
1 1 1 -7  83  22 o 33.666  7.3374  703.804    259.993  910.881    401.971  554.868    340.902  36.684  9.8912  29.089  9.4511  7.594986       13.68063  
1 1 1 -7  84  1  o 82.061  3.0960  3663.74    275.177  3541.49    391.926  3782.59    386.450  80.346  4.5221  83.093  4.3088  -2.746620      6.246177  
1 1 1 -7  84  2  o 14.715  6.0846  34.993     157.928  381.911    240.358  -228.5612  209.498  26.030  7.8627  12.564  5.9239  13.46527       9.844544  
1 1 1 -7  84  3  o 112.959 3.0294  6941.43    370.636  6325.11    519.025  7582.74    529.446  107.545 4.4558  117.828 4.1486  -10.28359      6.088136  
1 1 1 -7  84  4  o 102.508 3.0609  5717.60    339.839  5570.79    480.302  5864.79    480.907  100.932 4.3936  103.585 4.2864  -2.653236      6.138139  
1 1 1 -7  84  5  o 54.088  3.5161  1601.05    204.867  1856.74    282.176  1316.04    297.916  58.077  4.5215  48.554  5.7784  9.523029       7.337177  
1 1 1 -7  84  6  o 39.388  4.2294  857.634    177.607  976.502    257.784  750.222    245.048  41.697  5.8706  36.307  6.4687  5.389793       8.735397  
1 1 1 -7  84  7  o 75.169  3.0993  3076.24    252.335  2885.76    346.874  3290.35    367.750  72.472  4.4405  77.411  4.4043  -4.939629      6.254289  
1 1 1 -7  84  8  o 99.893  2.9881  5432.19    323.299  5135.09    453.135  5740.25    461.405  96.849  4.3198  102.438 4.1587  -5.588371      5.996234  
1 1 1 -7  84  9  o 71.774  3.1658  2807.03    246.102  2571.99    348.052  3042.04    348.028  68.288  4.7350  74.396  4.3379  -6.108154      6.421687  
1 1 1 -7  84  10 o 92.455  3.2091  4659.71    321.355  4129.44    477.410  5099.01    434.538  86.453  5.1213  96.500  4.1575  -10.04647      6.596391  
1 1 1 -7  84  11 o 110.948 3.0705  6708.54    368.977  6590.98    546.905  6806.76    499.885  109.539 4.6097  111.470 4.1404  -1.930702      6.196141  
1 1 1 -7  84  12 o 123.212 3.2487  8285.99    433.538  8066.28    630.200  8483.39    597.349  121.007 4.8084  124.252 4.4387  -3.244804      6.543896  
1 1 1 -7  84  13 o 120.875 3.1768  7979.12    415.912  7573.56    590.949  8377.20    585.467  117.203 4.6552  123.390 4.3808  -6.187019      6.392391  
1 1 1 -7  84  14 o 90.677  3.1794  4497.08    312.253  4468.72    450.938  4523.21    432.805  89.774  4.6536  90.527  4.4141  -0.7529449     6.414078  
1 1 1 -7  84  15 o 60.537  4.2735  2036.31    278.403  1594.15    437.295  2337.69    361.022  51.860  8.0459  64.496  5.2127  -12.63517      9.586876  
1 1 1 -7  84  16 f 28.084  7.5740  475.799    235.661  373.586    368.572  546.482    306.497  26.344  9.7464  29.843  8.8484  -3.498400      13.16388  
1 1 1 -7  84  17 o 24.904  7.7087  368.697    229.227  494.791    371.279  291.026    291.396  28.699  9.8721  23.554  8.6750  5.144644       13.14210  
1 1 1 -7  84  18 o 22.750  7.7716  294.465    229.988  275.493    371.814  306.222    292.703  24.320  9.5873  23.788  8.7045  0.5321178      12.94933  
1 1 1 -7  84  19 o 37.873  6.1994  845.070    245.497  1190.90    393.239  624.202    314.262  43.643  8.6248  31.345  8.8621  12.29810       12.36622  
1 1 1 -7  84  20 o 18.260  7.4270  113.285    230.422  94.321     375.011  124.787    292.057  21.239  9.1074  19.943  8.2626  1.295631       12.29698  
1 1 1 -7  84  21 o 26.612  8.0505  445.527    251.841  392.222    389.006  483.989    330.433  26.019  9.9287  27.552  9.3158  -1.533195      13.61478  
1 1 1 -7  84  22 o 51.290  5.1606  1517.12    282.793  1247.52    435.815  1713.18    371.661  43.441  9.5250  53.589  6.5389  -10.14760      11.55349  
1 1 1 -7  85  1  o 70.773  3.2510  2727.23    249.204  2468.62    358.102  2970.08    347.016  66.915  4.9766  73.570  4.3746  -6.655411      6.625989  
1 1 1 -7  85  2  o 56.604  3.4682  1752.31    211.604  1862.73    309.704  1655.64    289.792  58.075  4.9716  54.735  4.9416  3.340611       7.009668  
1 1 1 -7  85  3  o 102.229 3.0402  5686.82    336.620  5765.92    481.136  5610.98    471.125  102.685 4.3260  101.303 4.2938  1.381805       6.095190  
1 1 1 -7  85  4  o 87.781  3.0410  4193.38    289.127  4090.62    409.302  4295.73    408.475  86.363  4.3902  88.639  4.2547  -2.276184      6.113596  
1 1 1 -7  85  5  o 90.904  3.1571  4499.33    310.840  4440.10    437.442  4559.74    441.777  90.057  4.4847  91.266  4.4692  -1.208717      6.331343  
1 1 1 -7  85  6  o 108.174 3.1100  6371.72    364.383  6698.12    534.282  6087.88    498.235  110.593 4.4604  105.461 4.3619  5.132599       6.238676  
1 1 1 -7  85  7  o 87.700  3.0757  4188.48    292.156  4070.06    402.483  4320.36    424.759  86.222  4.3098  88.810  4.4158  -2.587753      6.170434  
1 1 1 -7  85  8  o 86.256  3.0411  4052.01    284.116  4107.29    398.503  3994.87    405.182  86.611  4.2480  85.274  4.4020  1.337112       6.117474  
1 1 1 -7  85  9  o 110.402 3.0163  6638.85    360.674  6516.89    510.126  6760.75    510.015  109.055 4.3188  111.101 4.2383  -2.045616      6.051047  
1 1 1 -7  85  10 o 127.871 3.1784  8914.40    440.195  9007.01    625.560  8823.55    619.544  128.102 4.5086  126.789 4.5115  1.312439       6.378170  
1 1 1 -7  85  11 o 86.793  2.8198  4103.15    265.078  4063.30    436.069  4126.50    333.839  85.806  4.7101  86.894  3.5471  -1.087570      5.896369  
1 1 1 -7  85  12 o 59.192  3.6767  1925.28    234.554  1951.60    350.066  1903.83    315.967  59.065  5.5367  58.493  5.0365  0.5721207      7.484683  
1 1 1 -7  85  13 f 46.983  4.1638  1223.85    209.693  1341.01    304.516  1118.20    289.178  48.656  5.8989  44.269  6.2013  4.387238       8.558839  
1 1 1 -7  85  14 o 70.641  3.4172  2737.07    261.456  2923.93    382.033  2572.45    358.589  72.377  4.9023  67.865  4.9116  4.512291       6.939484  
1 1 1 -7  85  15 o 28.155  7.2711  474.968    223.281  341.925    329.036  588.522    303.983  25.295  9.2331  30.983  8.7006  -5.688093      12.68658  
1 1 1 -7  85  16 o 23.224  7.8265  305.807    233.220  562.633    367.415  132.497    301.822  30.229  9.8113  20.669  8.4642  9.559452       12.95778  
1 1 1 -7  85  17 o 81.439  3.7715  3667.44    332.670  3489.15    534.120  3780.43    425.219  77.728  6.4013  82.033  4.8068  -4.304619      8.005154  
1 1 1 -7  85  18 o 55.503  4.5395  1734.06    270.506  1469.55    428.578  1909.22    348.751  48.915  8.3916  57.671  5.6561  -8.756088      10.11983  
1 1 1 -7  85  19 o 14.838  6.6744  -73.5771   224.751  -138.7446  366.282  -34.2251   284.632  18.254  8.3329  17.312  7.6664  0.9416943      11.32302  
1 1 1 -7  85  20 o 14.746  6.6724  -85.2243   228.503  75.010     373.537  -181.0418  288.854  20.900  9.0269  15.521  7.1983  5.378336       11.54559  
1 1 1 -7  85  21 o 45.247  2.4743  1125.77    120.800  1122.91    420.536  1126.02    126.115  41.207  9.6006  45.221  2.5856  -4.014721      9.942723  
1 1 1 -7  86  1  f 50.427  3.6326  1393.93    197.072  1322.18    287.102  1457.86    271.000  48.711  5.5403  51.321  4.9362  -2.609623      7.420319  
1 1 1 -7  86  2  o 80.793  3.0685  3553.02    268.510  3336.86    372.482  3786.87    387.420  77.960  4.4296  83.093  4.3196  -5.132942      6.187111  
1 1 1 -7  86  3  o 21.235  6.6244  249.020    168.903  307.721    253.022  201.837    226.847  24.113  8.1519  20.932  7.6624  3.181282       11.18774  
1 1 1 -7  86  4  o 138.175 3.2638  10401.57   488.461  10015.77   690.344  10788.35   691.232  135.151 4.7160  140.327 4.5479  -5.176514      6.551676  
1 1 1 -7  86  5  o 135.161 3.2994  9955.62    483.013  9682.88    686.059  10223.69   680.146  132.845 4.7681  136.566 4.5982  -3.721512      6.624067  
1 1 1 -7  86  6  f 42.975  4.6543  1024.44    213.182  882.274    328.031  1128.38    280.491  38.963  8.0397  44.817  5.9236  -5.853344      9.986261  
1 1 1 -7  86  7  o 145.428 3.3793  11533.46   532.290  11486.05   748.896  11581.86   756.708  144.627 4.7808  145.216 4.8111  -0.5892181     6.782519  
1 1 1 -7  86  8  o 181.702 3.7174  18034.88   731.589  17667.68   1036.42  18399.56   1032.84  179.021 5.3451  182.768 5.2175  -3.746414      7.469471  
1 1 1 -7  86  9  o 60.332  3.5402  1994.24    230.321  1946.21    336.385  2036.63    316.016  59.174  5.3048  60.669  4.8498  -1.494171      7.187550  
1 1 1 -7  86  10 o 105.446 3.0987  6063.10    353.895  6176.29    505.181  5954.01    495.913  106.057 4.3978  104.131 4.3970  1.925667       6.218885  
1 1 1 -7  86  11 o 89.602  2.8114  4375.06    272.840  4497.33    433.623  4294.92    351.040  90.431  4.4271  88.587  3.6586  1.843964       5.743247  
1 1 1 -7  86  12 o 49.308  4.1139  1345.58    217.697  1445.07    327.983  1267.24    291.055  50.478  6.1244  47.341  5.7975  3.137165       8.433202  
1 1 1 -7  86  13 o 95.220  3.1891  4962.48    328.897  4682.38    478.611  5213.10    452.729  91.751  4.8332  97.176  4.3014  -5.424988      6.470071  
1 1 1 -7  86  14 o 42.175  4.8953  1003.42    219.456  1243.03    345.316  841.069    284.239  46.051  7.1555  37.695  7.2249  8.356007       10.16858  
1 1 1 -7  86  15 o 31.008  6.9158  572.832    226.353  503.602    335.020  630.977    307.030  28.857  9.3689  32.005  8.6508  -3.147699      12.75198  
1 1 1 -7  86  16 o 64.289  4.2712  2305.24    295.719  2342.42    480.466  2282.56    375.206  63.214  7.1428  63.361  5.5226  -0.1469650     9.028746  
1 1 1 -7  86  17 o 64.626  4.1650  2330.90    289.987  2392.74    450.979  2287.30    378.647  64.097  6.5899  63.282  5.5816  0.8149872      8.636051  
1 1 1 -7  86  18 o 39.448  6.2971  916.661    260.000  1464.10    456.307  653.482    316.383  48.232  9.0676  32.102  8.8254  16.13039       12.65348  
1 1 1 -7  86  19 o 50.593  4.9076  1459.10    265.543  1405.13    424.175  1493.89    340.525  47.358  8.5858  50.359  6.3867  -3.001431      10.70071  
1 1 1 -7  86  20 o 17.049  7.2032  56.131     228.625  209.689    363.330  -44.5277   294.164  22.660  9.2839  17.333  7.7280  5.326981       12.07942  
1 1 1 -7  86  21 o 52.969  4.8602  1603.63    275.722  1882.40    440.366  1423.88    353.613  55.527  7.5153  48.631  6.9076  6.895920       10.20761  
1 1 1 -7  87  1  o 113.847 3.0776  7057.32    379.498  7345.58    543.119  6782.32    530.486  115.843 4.3287  111.293 4.4009  4.549866       6.172926  
1 1 1 -7  87  2  o 105.067 3.0623  6010.57    348.487  5934.72    488.831  6088.96    496.940  104.121 4.3346  105.461 4.3505  -1.340126      6.141328  
1 1 1 -7  87  3  o 22.094  6.3696  276.827    160.798  156.365    212.871  436.902    245.386  19.445  7.3626  27.545  7.8461  -8.100412      10.75957  
1 1 1 -7  87  4  o 59.172  3.4736  1916.09    221.644  2026.94    315.949  1808.66    311.013  60.572  4.8567  57.142  5.0781  3.429504       7.026722  
1 1 1 -7  87  5  o 100.191 3.1111  5467.81    337.611  5310.59    482.316  5618.85    472.737  98.423  4.5244  101.297 4.3088  -2.873558      6.247895  
1 1 1 -7  87  6  o 70.061  3.4649  2677.81    262.932  2392.40    391.434  2912.46    354.926  65.626  5.5593  72.744  4.5272  -7.118446      7.169431  
1 1 1 -7  87  7  o 71.197  3.4147  2765.36    263.320  2655.62    363.599  2886.40    381.853  69.346  4.8719  72.300  4.9053  -2.953911      6.913541  
1 1 1 -7  87  8  o 72.047  3.3078  2831.60    258.124  2678.86    362.938  2987.93    367.183  69.628  4.8427  73.614  4.6288  -3.986015      6.699069  
1 1 1 -7  87  9  o 128.635 3.3349  9032.87    464.628  8803.23    674.908  9239.77    640.600  126.395 4.9300  129.651 4.5618  -3.256554      6.716786  
1 1 1 -7  87  10 o 107.950 3.1712  6360.54    370.785  6306.67    529.929  6412.22    518.981  107.041 4.5708  107.983 4.4373  -0.9420776     6.370447  
1 1 1 -7  87  11 o 66.279  3.4348  2410.06    245.728  2604.18    363.164  2246.14    333.723  68.446  4.9318  63.558  4.8852  4.887745       6.941706  
1 1 1 -7  87  12 o 18.323  6.9931  140.707    192.993  201.454    323.269  107.066    240.569  22.680  8.9400  18.862  7.6184  3.818855       11.74583  
1 1 1 -7  87  13 o 22.194  6.9359  282.353    185.071  163.776    272.940  383.272    251.798  20.735  8.2015  25.616  8.1024  -4.881248      11.52881  
1 1 1 -7  87  14 o 43.354  5.3405  1069.23    245.471  1019.81    381.822  1104.05    320.476  40.712  8.9066  43.320  7.0745  -2.607613      11.37438  
1 1 1 -7  87  15 o 51.586  4.7004  1495.47    259.742  1349.69    402.011  1599.93    340.313  47.341  8.1334  52.757  6.0661  -5.415863      10.14637  
1 1 1 -7  87  16 o 14.262  6.4949  -110.6719  220.829  -153.7884  340.880  -79.4918   289.880  17.596  8.0351  17.006  7.6203  0.5901165      11.07388  
1 1 1 -7  87  17 o 38.792  6.2507  883.081    253.708  893.958    401.145  875.830    327.538  37.180  9.8166  37.625  8.2635  -0.4443436     12.83162  
1 1 1 -7  87  18 o 56.953  4.6987  1835.00    287.253  1722.89    488.112  1894.39    355.292  52.443  8.9123  57.241  5.8112  -4.798454      10.63950  
1 1 1 -7  87  19 o 44.328  2.3038  1077.59    110.229  1110.13    436.475  1075.38    113.922  40.937  9.9429  44.262  2.3851  -3.325291      10.22495  
1 1 1 -7  87  20 o 62.544  2.4981  2144.33    169.221  1544.88    468.132  2234.44    181.494  49.069  9.1447  63.803  2.6263  -14.73423      9.514355  
1 1 1 -7  88  1  o 91.738  2.9000  4580.45    288.145  4599.57    378.269  4554.02    444.754  91.764  3.8059  91.153  4.5048  0.6116028      5.897321  
1 1 1 -7  88  2  o 74.399  3.1614  3015.52    254.750  3048.40    354.289  2980.32    366.568  74.469  4.4122  73.576  4.6234  0.8924713      6.390841  
1 1 1 -7  88  3  o 64.204  3.4603  2254.78    239.738  2093.45    338.045  2418.03    340.044  61.489  5.1224  66.204  4.7742  -4.715313      7.002338  
1 1 1 -7  88  4  o 145.233 3.3336  11499.76   524.379  11545.28   742.822  11454.55   740.353  145.030 4.7289  144.457 4.7318  0.5722046      6.689723  
1 1 1 -7  88  5  o 102.844 3.1094  5762.24    346.356  5576.19    494.480  5941.44    485.292  100.834 4.5277  104.147 4.3022  -3.313553      6.245659  
1 1 1 -7  88  6  o 36.790  5.0628  758.303    196.394  718.275    284.220  794.880    271.691  35.120  7.6853  37.169  7.0058  -2.048386      10.39932  
1 1 1 -7  88  7  o 51.092  4.2601  1440.66    233.594  1505.27    329.596  1375.45    331.112  51.773  5.9882  49.355  6.3407  2.418743       8.721393  
1 1 1 -7  88  8  o 102.797 3.1830  5764.88    354.396  5573.36    508.952  5945.14    493.776  100.652 4.6686  104.051 4.3814  -3.399803      6.402520  
1 1 1 -7  88  9  o 14.163  6.2133  -36.7547   182.889  -209.2026  269.189  111.091    249.249  15.016  6.9587  19.314  7.7710  -4.297797      10.43128  
1 1 1 -7  88  10 o 28.858  6.6190  485.858    202.484  513.457    313.314  466.064    265.340  29.536  8.9894  28.166  8.2003  1.369934       12.16779  
1 1 1 -7  88  11 o 16.990  6.9671  68.297     204.848  -72.3442   308.103  179.723    274.241  17.919  7.9537  21.212  8.2717  -3.292288      11.47535  
1 1 1 -7  88  12 o 21.142  7.3269  238.499    204.696  -272.9651  348.074  508.899    253.086  16.757  7.8152  29.139  7.8449  -12.38204      11.07338  
1 1 1 -7  88  13 o 52.537  4.0311  1533.54    227.630  1560.55    336.832  1510.83    308.823  52.187  6.0727  51.539  5.6235  0.6478767      8.276567  
1 1 1 -7  88  14 o 43.296  5.2809  1066.09    242.508  1467.26    369.426  762.324    321.470  50.069  7.0039  35.233  8.5179  14.83588       11.02771  
1 1 1 -7  88  15 o 41.527  5.4584  987.372    239.558  1086.65    356.094  905.295    323.780  42.357  8.0563  38.601  8.0069  3.756413       11.35843  
1 1 1 -7  88  16 o 19.672  7.5868  170.985    228.735  262.526    353.247  104.891    300.158  23.854  9.3636  20.044  8.3464  3.810499       12.54350  
1 1 1 -7  88  17 f 69.757  3.9308  2710.62    295.779  2862.67    445.403  2590.68    395.601  70.503  5.8866  67.323  5.4727  3.180031       8.037578  
1 1 1 -7  88  18 o 16.910  7.1958  40.395     230.895  -36.1423   365.340  91.298     297.942  19.400  8.6335  19.576  8.2444  -0.1767826     11.93762  
1 1 1 -7  88  19 o 14.986  6.7226  -64.2525   226.277  -74.4994   358.947  -57.4951   291.490  18.704  8.4222  17.123  7.6592  1.580814       11.38408  
1 1 1 -7  88  20 o 16.976  7.2992  29.603     242.039  -529.9274  423.710  300.621    294.887  16.313  7.8857  23.363  8.7031  -7.050484      11.74434  
1 1 1 -7  89  1  f 45.094  4.3171  1123.68    208.276  1037.47    308.796  1195.64    282.104  42.646  6.9226  46.181  5.7655  -3.534927      9.009124  
1 1 1 -7  89  2  o 59.303  3.4740  1925.23    222.167  1679.60    307.489  2193.50    321.352  54.992  5.2253  63.034  4.7417  -8.042110      7.056015  
1 1 1 -7  89  3  o 77.187  3.2268  3247.66    269.763  2972.41    380.454  3525.97    382.560  73.401  4.8122  80.078  4.4280  -6.677406      6.539405  
1 1 1 -7  89  4  o 34.976  5.0733  686.761    186.583  540.814    267.544  824.954    260.340  30.426  8.0092  38.006  6.5616  -7.580416      10.35378  
1 1 1 -7  89  5  o 23.437  6.9795  311.936    190.388  386.171    297.333  260.348    247.865  26.529  8.8367  22.738  8.0492  3.790728       11.95313  
1 1 1 -7  89  6  o 46.631  4.2176  1201.67    210.711  1257.40    304.400  1150.40    291.969  47.213  6.0950  45.117  6.1339  2.096310       8.647181  
1 1 1 -7  89  7  o 66.185  3.6620  2402.91    261.494  2284.73    369.959  2520.91    369.658  64.057  5.3822  67.399  5.1016  -3.341553      7.415835  
1 1 1 -7  89  8  o 32.357  6.1079  601.509    206.212  621.180    304.952  584.937    279.911  32.347  8.5679  31.457  8.1497  0.8904324      11.82483  
1 1 1 -7  89  9  o 65.716  3.5307  2371.32    250.383  2297.65    361.443  2439.30    347.178  64.155  5.2476  66.249  4.8726  -2.093636      7.160962  
1 1 1 -7  89  10 o 11.405  5.4051  -204.4261  178.605  18.536     263.926  -392.7968  242.590  17.928  7.6627  12.138  5.8913  5.789172       9.665576  
1 1 1 -7  89  11 o 48.291  4.2470  1297.62    219.880  1305.24    324.883  1291.19    298.682  47.623  6.4657  47.584  5.9236  0.3947830E-01  8.768959  
1 1 1 -7  89  12 o 20.493  7.1773  221.803    196.671  286.834    313.720  179.700    252.432  23.992  8.9690  20.570  7.9598  3.421099       11.99170  
1 1 1 -7  89  13 o 55.693  3.9598  1721.60    237.304  1790.44    353.945  1665.39    319.839  55.982  5.9276  54.155  5.5305  1.826935       8.106905  
1 1 1 -7  89  14 o 85.721  3.4495  4043.86    320.268  4463.58    476.361  3697.64    432.643  89.186  4.9509  81.154  4.9457  8.031738       6.997939  
1 1 1 -7  89  15 o 63.171  4.1000  2222.73    279.007  2443.96    417.229  2043.77    375.250  65.271  5.9678  59.698  5.8798  5.572861       8.377792  
1 1 1 -7  89  16 o 41.689  5.8712  1008.79    257.763  966.547    403.613  1037.89    334.971  38.775  9.6491  41.323  7.7695  -2.547375      12.38828  
1 1 1 -7  89  17 o 39.853  6.5013  940.722    270.953  916.210    453.211  954.356    338.011  36.942  10.706  39.203  8.2230  -2.261398      13.49967  
1 1 1 -7  89  18 o 48.965  5.1974  1376.13    271.427  1540.46    430.034  1267.32    349.939  49.860  8.2517  45.763  7.3057  4.096615       11.02109  
1 1 1 -7  89  19 o 17.075  7.2690  44.250     235.772  -317.8670  390.647  251.735    295.701  17.097  8.0696  22.397  8.6295  -5.300467      11.81466  
1 1 1 -7  90  1  o 45.393  4.1392  1137.72    201.270  1188.54    311.389  1101.25    263.777  45.801  6.4562  44.296  5.6248  1.505054       8.562740  
1 1 1 -7  90  2  o 58.537  3.3280  1875.48    210.132  1816.68    293.004  1937.75    301.522  57.292  4.7650  59.188  4.7433  -1.895874      6.723426  
1 1 1 -7  90  3  o 45.511  4.1280  1143.81    201.268  1034.98    294.724  1238.92    275.516  42.629  6.5962  47.040  5.5121  -4.411079      8.596148  
1 1 1 -7  90  4  o 40.125  4.7601  897.598    202.837  720.283    280.671  1091.45    293.466  35.138  7.5962  43.856  6.3640  -8.718594      9.909745  
1 1 1 -7  90  5  f 56.444  3.9435  1753.12    239.570  1949.22    351.236  1582.52    327.605  59.089  5.5532  53.120  5.7877  5.969070       8.020927  
1 1 1 -7  90  6  o 69.264  3.3844  2621.06    253.900  2596.12    363.283  2644.87    354.998  68.430  4.9346  69.124  4.7708  -0.6943054     6.863747  
1 1 1 -7  90  7  o 86.846  3.1749  4118.74    298.644  4134.97    423.693  4102.71    421.011  86.530  4.5366  86.195  4.5254  0.3350754      6.407815  
1 1 1 -7  90  8  o 75.492  3.3219  3117.36    271.617  2951.30    383.316  3284.84    384.937  72.882  4.8841  77.000  4.6372  -4.118523      6.734859  
1 1 1 -7  90  9  o 14.299  6.2590  -29.9046   184.659  -22.4218   273.337  -36.1869   250.455  17.557  7.6518  16.602  7.2775  0.9555149      10.55992  
1 1 1 -7  90  10 o 71.106  3.4120  2773.58    262.778  2739.15    379.527  2805.28    364.195  69.971  5.0417  70.933  4.7681  -0.9623489     6.939238  
1 1 1 -7  90  11 o 111.462 3.2336  6812.59    390.370  6505.60    567.519  7088.29    537.810  108.089 4.8476  113.105 4.3901  -5.016319      6.540104  
1 1 1 -7  90  12 o 47.164  4.4884  1245.24    226.515  1194.70    352.440  1280.81    295.668  44.929  7.5073  47.296  5.9001  -2.366547      9.548380  
1 1 1 -7  90  13 o 44.904  4.8439  1137.60    231.855  1298.72    363.626  1027.23    300.973  46.847  7.4132  41.811  6.8858  5.035782       10.11778  
1 1 1 -7  90  14 o 19.510  7.4783  168.719    221.299  349.557    350.089  48.371     285.596  25.566  9.4909  18.801  8.0018  6.765110       12.41393  
1 1 1 -7  90  15 o 63.169  4.1087  2225.31    279.578  2513.06    418.877  1994.14    375.446  66.157  5.9079  58.844  5.9736  7.312458       8.401648  
1 1 1 -7  90  16 o 74.897  3.9825  3125.22    321.902  3453.81    510.785  2908.73    414.595  77.289  6.1527  71.419  5.3996  5.869217       8.186002  
1 1 1 -7  90  17 o 49.044  5.1808  1377.02    271.035  1517.40    424.327  1280.28    352.259  49.657  8.1740  46.098  7.2983  3.559357       10.95810  
1 1 1 -7  90  18 o 31.205  7.7523  605.926    260.843  197.278    411.135  881.232    337.456  23.415  9.7606  37.322  8.5338  -13.90688      12.96515  
1 1 1 -7  91  1  o 51.875  3.9710  1482.45    221.420  1459.35    305.313  1508.08    321.592  51.038  5.6159  51.827  5.8302  -0.7890511     8.095035  
1 1 1 -7  91  2  o 90.072  3.0883  4424.60    301.285  4419.36    433.474  4429.50    419.053  89.678  4.4628  89.825  4.3073  -0.1474075     6.202350  
1 1 1 -7  91  3  o 61.793  3.3751  2091.68    225.031  1775.94    317.125  2411.90    319.371  56.454  5.2464  66.089  4.4882  -9.635296      6.904267  
1 1 1 -7  91  4  o 123.216 3.2164  8288.40    429.249  8021.99    605.841  8556.96    608.267  120.701 4.6342  124.718 4.5029  -4.017159      6.461628  
1 1 1 -7  91  5  o 86.103  3.2525  4049.82    303.318  3742.35    443.796  4319.34    415.512  82.141  5.0123  88.627  4.3286  -6.486328      6.622685  
1 1 1 -7  91  6  o 46.759  4.4403  1214.76    222.184  1191.17    308.400  1240.23    320.372  45.689  6.4084  46.593  6.5276  -0.9040985     9.147524  
1 1 1 -7  91  7  o 47.781  4.2223  1266.39    216.264  988.747    308.619  1534.27    303.141  41.230  7.1714  52.247  5.4365  -11.01745      8.999120  
1 1 1 -7  91  8  o 38.208  5.0793  824.470    204.991  869.846    289.800  779.031    290.002  38.526  7.2101  36.264  7.6253  2.261562       10.49430  
1 1 1 -7  91  9  o 114.630 3.2668  7201.12    405.599  7023.34    586.440  7364.13    561.576  112.430 4.8158  115.313 4.4964  -2.882843      6.588583  
1 1 1 -7  91  10 o 92.858  3.2131  4726.86    323.159  4704.72    464.100  4747.70    450.245  91.911  4.6775  92.529  4.4926  -0.6186829     6.485568  
1 1 1 -7  91  11 o 60.901  3.8052  2051.88    249.742  2340.06    378.455  1829.59    332.389  64.348  5.4824  56.856  5.4649  7.491634       7.740923  
1 1 1 -7  91  12 o 64.283  3.6325  2282.96    251.877  2464.65    371.370  2128.18    342.764  66.117  5.2285  61.425  5.2009  4.692150       7.374755  
1 1 1 -7  91  13 o 28.390  6.8649  481.895    208.771  412.649    316.855  535.019    277.530  26.606  9.1218  29.563  8.3175  -2.957235      12.34450  
1 1 1 -7  91  14 o 35.773  6.4299  753.439    239.976  687.405    386.618  794.826    306.074  32.844  9.9834  36.035  8.0457  -3.190109      12.82194  
1 1 1 -7  91  15 o 44.492  5.5882  1139.77    263.350  1171.56    421.075  1119.34    337.504  43.028  9.3060  43.112  7.5002  -0.8478546E-01 11.95220  
1 1 1 -7  91  16 o 29.287  7.9801  532.251    260.031  786.511    442.219  397.876    321.482  34.373  10.718  25.985  9.1703  8.388269       14.10575  
1 1 1 -7  91  17 o 16.451  7.1869  -7.1212    242.442  -258.4568  391.715  148.939    308.666  17.712  8.2707  20.788  8.5416  -3.076136      11.88964  
1 1 1 -7  91  18 o 40.062  6.7212  960.076    281.314  1385.87    471.716  725.062    350.452  46.146  9.7436  33.397  9.3291  12.74905       13.48966  
1 1 1 -7  92  1  o 54.834  3.7371  1654.58    220.625  1619.91    313.673  1688.52    310.375  53.774  5.4614  54.971  5.2778  -1.196854      7.594917  
1 1 1 -7  92  2  o 48.227  4.2502  1288.12    219.742  1200.65    302.489  1385.86    319.754  45.963  6.2372  49.484  6.0948  -3.520798      8.720609  
1 1 1 -7  92  3  o 24.540  6.4021  349.879    171.950  450.571    242.929  248.780    243.419  27.713  7.7764  22.240  7.9656  5.472607       11.13207  
1 1 1 -7  92  4  o 65.379  3.5153  2346.77    248.015  2554.19    347.215  2130.70    354.388  67.841  4.7554  61.729  5.3535  6.111774       7.160632  
1 1 1 -7  92  5  o 96.886  3.2576  5133.69    341.848  4671.45    506.663  5519.94    463.154  91.631  5.1257  100.114 4.2713  -8.482864      6.672093  
1 1 1 -7  92  6  o 96.142  3.1935  5056.28    332.543  4575.04    464.889  5560.55    475.878  90.791  4.7440  100.382 4.3769  -9.591415      6.454700  
1 1 1 -7  92  7  o 77.918  3.2643  3324.93    275.481  3179.43    389.026  3471.28    390.154  75.575  4.7772  79.067  4.5754  -3.491951      6.614837  
1 1 1 -7  92  8  f 65.636  3.5294  2372.32    249.986  2152.38    352.458  2594.97    354.619  61.862  5.3119  68.173  4.8340  -6.311142      7.182166  
1 1 1 -7  92  9  o 16.377  6.8515  44.389     203.611  77.865     314.167  20.145     267.362  20.190  8.4824  17.958  7.6949  2.232058       11.45263  
1 1 1 -7  92  10 o 52.849  4.1712  1553.48    236.824  1574.14    360.414  1537.78    314.168  52.246  6.5104  52.010  5.6688  0.2356300      8.632514  
1 1 1 -7  92  11 o 80.144  3.3899  3529.27    294.260  3744.47    438.780  3353.39    396.690  81.735  4.9802  77.452  4.7517  4.282784       6.883430  
1 1 1 -7  92  12 o 47.354  4.6546  1260.79    235.645  1444.57    369.151  1134.40    306.132  49.604  7.0712  44.083  6.6159  5.520927       9.683573  
1 1 1 -7  92  13 o 48.504  4.4812  1320.75    232.760  1315.96    349.567  1324.57    311.975  47.241  7.0475  47.845  6.1635  -0.6045685     9.362487  
1 1 1 -7  92  14 o 44.245  5.1088  1115.21    240.320  1069.60    359.658  1152.01    323.017  41.767  8.2431  44.075  7.0006  -2.307926      10.81466  
1 1 1 -7  92  15 o 53.310  4.6899  1605.35    268.040  1595.71    406.248  1612.78    356.700  51.577  7.4913  52.528  6.4020  -0.9514923     9.854167  
1 1 1 -7  92  16 o 86.543  3.6793  4152.01    344.877  4050.84    520.896  4230.97    460.185  83.919  5.7659  86.445  4.9355  -2.525688      7.589742  
1 1 1 -7  92  17 o 29.838  7.8016  553.358    254.973  554.422    409.368  552.684    325.909  29.571  10.355  29.467  9.2034  0.1038704      13.85385  
1 1 1 -7  93  1  o 32.229  5.5839  594.044    187.856  735.180    293.688  496.313    244.391  35.201  7.8973  28.964  7.6694  6.237759       11.00847  
1 1 1 -7  93  2  o 72.313  3.1749  2858.96    248.670  2790.11    352.106  2927.47    351.242  70.926  4.6085  72.703  4.4823  -1.777283      6.428792  
1 1 1 -7  93  3  o 57.159  3.6510  1799.24    224.852  1721.27    307.875  1888.39    329.168  55.434  5.1881  58.045  5.2940  -2.611019      7.412364  
1 1 1 -7  93  4  o 93.269  3.1110  4756.77    314.272  4772.11    449.839  4742.14    439.244  92.946  4.4684  92.691  4.3752  0.2547607      6.253740  
1 1 1 -7  93  5  o 103.530 3.1873  5866.40    357.405  5882.81    518.146  5851.50    493.639  103.068 4.6415  102.895 4.4294  0.1731110      6.415846  
1 1 1 -7  93  6  o 79.865  3.3155  3495.87    286.796  3301.74    399.465  3702.38    412.008  76.970  4.8159  81.584  4.6822  -4.613914      6.716843  
1 1 1 -7  93  7  o 95.557  3.1590  5001.09    326.952  5028.71    460.200  4972.94    464.590  95.292  4.4588  94.729  4.5281  0.5626831      6.354918  
1 1 1 -7  93  8  o 47.813  4.2870  1273.85    219.651  1193.77    310.888  1353.67    310.379  45.461  6.4988  48.664  6.0168  -3.202770      8.856448  
1 1 1 -7  93  9  o 25.133  7.3655  372.902    213.439  548.028    329.413  246.178    280.216  30.044  9.2313  22.586  8.4700  7.457571       12.52831  
1 1 1 -7  93  10 o 81.892  3.4663  3686.65    307.449  3403.82    469.784  3898.54    406.621  77.570  5.6299  83.674  4.5033  -6.104012      7.209410  
1 1 1 -7  93  11 o 31.703  6.4126  591.805    212.630  490.355    335.163  660.138    275.073  28.556  9.3758  33.003  7.8158  -4.446899      12.20626  
1 1 1 -7  93  12 o 66.145  3.7402  2422.95    266.857  2618.06    399.310  2265.48    358.729  67.928  5.4738  63.260  5.2839  4.667709       7.608088  
1 1 1 -7  93  13 o 26.596  7.1878  426.737    211.982  159.223    323.629  627.761    280.542  21.520  8.7831  31.930  8.0995  -10.41001      11.94757  
1 1 1 -7  93  14 o 29.641  7.1622  532.936    227.375  715.213    346.375  394.915    301.407  33.527  9.2413  25.873  8.8951  7.653961       12.82674  
1 1 1 -7  93  15 o 34.842  2.4807  667.505    93.003   1129.90    377.679  637.657    95.958   42.619  8.4802  34.019  2.6246  8.599743       8.877041  
1 1 1 -7  93  16 o 16.542  7.2046  -2.1773    241.955  11.953     393.498  -10.7672   306.808  20.692  9.0949  18.288  8.0346  2.404255       12.13560  
1 1 1 -7  94  1  o 58.270  3.7619  1873.58    236.153  1773.34    345.156  1961.80    323.806  55.983  5.7753  59.180  5.1016  -3.197437      7.705837  
1 1 1 -7  94  2  o 54.727  3.6503  1651.91    215.128  1620.02    309.849  1681.58    298.918  53.620  5.4092  54.755  5.0990  -1.134720      7.433616  
1 1 1 -7  94  3  o 101.859 3.1355  5678.26    345.922  5463.10    481.792  5907.21    496.977  99.372  4.4764  103.350 4.4397  -3.978004      6.304660  
1 1 1 -7  94  4  o 50.714  3.9556  1424.78    215.555  1477.97    312.440  1376.45    297.772  51.038  5.7523  49.260  5.6855  1.778088       8.087829  
1 1 1 -7  94  5  o 94.469  3.2699  4890.94    334.577  4917.67    478.277  4865.32    468.211  94.139  4.6907  93.673  4.6148  0.4662170      6.580228  
1 1 1 -7  94  6  o 17.870  6.8395  133.485    184.938  340.219    268.364  -53.4853   255.214  24.667  8.3951  16.436  7.2698  8.231710       11.10528  
1 1 1 -7  94  7  o 42.938  4.5540  1033.12    208.559  951.695    292.516  1117.31    297.440  40.321  6.9489  43.979  6.4346  -3.657829      9.470528  
1 1 1 -7  94  8  o 21.559  7.4337  251.449    210.576  476.599    331.493  99.131     272.654  28.375  9.3247  19.467  8.0167  8.907730       12.29709  
1 1 1 -7  94  9  o 54.100  4.2680  1630.39    248.056  1542.47    374.415  1699.16    331.161  51.495  6.8855  54.668  5.6757  -3.172997      8.923187  
1 1 1 -7  94  10 o 73.970  3.4153  3008.36    273.628  3251.83    398.860  2791.92    376.080  76.182  4.8593  70.521  4.9552  5.661102       6.940192  
1 1 1 -7  94  11 o 41.299  4.9151  966.296    215.538  1087.73    321.152  866.771    290.744  42.866  7.1703  38.108  7.3101  4.758781       10.23966  
1 1 1 -7  94  12 o 25.058  7.4440  375.719    216.770  376.605    342.419  375.126    280.025  25.977  9.4285  25.361  8.5758  0.6158791      12.74526  
1 1 1 -7  94  13 o 26.748  7.4166  434.141    222.355  269.327    356.120  539.448    284.662  23.995  9.4069  29.497  8.4666  -5.502432      12.65591  
1 1 1 -7  94  14 o 24.327  7.6589  353.994    225.197  574.999    345.581  190.879    296.891  30.144  9.4872  21.433  8.5296  8.711399       12.75777  
1 1 1 -7  94  15 o 41.967  5.6228  1019.20    249.159  1141.46    369.289  917.044    337.572  43.005  8.2280  38.366  8.3599  4.638622       11.72979  
1 1 1 -7  94  16 o 27.112  8.0306  454.085    252.553  617.238    406.712  351.692    322.199  30.913  10.336  24.962  9.1328  5.950716       13.79265  
1 1 1 -7  95  1  o 95.752  3.1911  5021.37    330.943  4785.77    476.776  5240.44    459.737  92.732  4.7630  97.347  4.3603  -4.615921      6.457450  
1 1 1 -7  95  2  o 30.653  6.2937  548.587    201.956  579.651    274.877  512.149    297.706  31.035  8.0935  29.217  8.7338  1.817890       11.90731  
1 1 1 -7  95  3  o 36.189  4.9119  740.390    187.554  747.354    265.619  733.466    264.866  35.602  7.1369  35.245  7.1821  0.3565521      10.12516  
1 1 1 -7  95  4  o 26.646  6.7918  419.402    196.595  589.232    272.306  234.506    284.126  31.295  8.0024  22.467  8.5063  8.827335       11.67883  
1 1 1 -7  95  5  o 114.286 3.2322  7158.20    400.096  6963.42    576.653  7339.01    555.577  111.951 4.7557  115.108 4.4562  -3.157211      6.517270  
1 1 1 -7  95  6  o 73.123  3.4422  2935.79    272.626  3051.48    399.692  2835.14    372.812  73.826  5.0286  71.226  4.8617  2.599892       6.994443  
1 1 1 -7  95  7  o 21.652  7.0033  264.985    187.315  421.791    263.320  104.349    266.516  26.682  8.2626  19.399  7.9500  7.282372       11.46619  
1 1 1 -7  95  8  o 56.659  3.9955  1781.63    243.623  1749.41    356.340  1809.91    333.830  55.296  6.0484  56.498  5.5261  -1.201893      8.192725  
1 1 1 -7  95  9  o 64.922  3.7252  2330.84    260.845  2096.58    376.602  2546.85    361.634  60.669  5.8019  67.329  4.9947  -6.659607      7.655647  
1 1 1 -7  95  10 o 17.793  7.0030  119.807    198.084  -112.4151  295.501  309.305    266.937  16.809  7.5986  23.704  8.3573  -6.895077      11.29525  
1 1 1 -7  95  11 o 61.777  3.8946  2119.57    259.259  2115.88    400.794  2122.22    339.965  60.596  6.1938  61.240  5.1738  -0.6442604     8.070396  
1 1 1 -7  95  12 o 29.459  7.0699  523.636    222.706  706.971    352.852  402.242    287.122  33.387  9.3733  26.023  8.6844  7.363356       12.77801  
1 1 1 -7  95  13 o 29.634  7.2727  534.106    231.689  454.589    333.460  608.320    322.149  27.428  9.3579  31.058  9.0337  -3.629496      13.00689  
1 1 1 -7  95  14 o 46.515  5.2189  1237.35    258.395  1328.74    411.280  1177.75    332.129  46.340  8.5079  44.378  7.1530  1.961521       11.11526  
1 1 1 -7  95  15 o 24.033  7.8556  342.883    235.381  404.855    352.817  293.177    315.979  26.395  9.5721  23.719  8.9728  2.675734       13.12004  
1 1 1 -7  96  1  o 19.139  6.8352  184.689    179.111  210.771    259.664  161.014    247.384  21.466  8.1307  20.103  7.8515  1.363136       11.30290  
1 1 1 -7  96  2  o 32.684  5.8317  616.841    198.872  526.335    280.377  708.480    282.126  29.559  8.3754  34.404  7.7566  -4.844666      11.41540  
1 1 1 -7  96  3  o 34.080  5.2169  662.006    186.440  630.645    264.323  693.057    263.014  32.457  7.6449  34.161  7.3281  -1.704048      10.58988  
1 1 1 -7  96  4  o 87.427  3.3122  4192.33    313.643  4088.83    433.171  4306.40    454.732  85.683  4.6853  87.882  4.7954  -2.198776      6.704379  
1 1 1 -7  96  5  o 12.705  5.8518  -128.3390  186.126  -98.4066   290.799  -149.1108  242.247  16.932  7.6064  14.629  6.7149  2.302323       10.14633  
1 1 1 -7  96  6  o 60.499  3.7332  2023.19    243.426  1806.35    354.099  2217.50    335.191  56.301  5.8942  62.870  4.9627  -6.569260      7.705178  
1 1 1 -7  96  7  o 58.758  3.8279  1911.70    242.282  1870.13    351.935  1949.16    334.040  57.339  5.7441  58.750  5.3068  -1.411377      7.820330  
1 1 1 -7  96  8  o 33.873  5.7746  663.862    204.259  619.394    286.996  709.507    290.773  31.851  8.2523  34.193  7.9945  -2.341629      11.48970  
1 1 1 -7  96  9  o 54.763  4.1257  1670.59    242.912  1950.18    353.672  1420.93    334.214  58.509  5.6513  49.526  6.3787  8.982571       8.522075  
1 1 1 -7  96  10 o 17.021  6.9320  83.396     201.051  52.537     300.954  108.268    270.185  19.273  8.2086  19.431  7.9887  -0.1589298     11.45426  
1 1 1 -7  96  11 o 18.308  7.2052  130.982    209.677  1.1867     336.130  213.660    268.271  19.381  8.4650  21.447  8.2307  -2.065699      11.80675  
1 1 1 -7  96  12 o 57.247  4.1989  1832.46    258.531  1839.12    398.698  1827.63    339.606  56.032  6.7026  56.477  5.6267  -0.4450302     8.751288  
1 1 1 -7  96  13 o 61.459  4.1774  2112.01    276.420  2405.11    405.094  1856.62    378.131  64.659  5.8476  56.496  6.2861  8.163372       8.585461  
1 1 1 -7  96  14 o 48.215  5.2523  1329.27    269.846  1433.42    452.522  1271.80    336.151  47.781  9.0759  46.285  6.9176  1.496071       11.41161  
1 1 1 -7  97  1  o 60.969  3.6121  2050.96    237.468  2026.80    336.431  2074.95    335.233  60.008  5.2285  60.759  5.1424  -0.7506332     7.333561  
1 1 1 -7  97  2  o 53.408  3.9296  1581.08    225.716  1460.22    341.395  1674.94    300.854  50.370  6.4023  54.538  5.1542  -4.168282      8.219233  
1 1 1 -7  97  3  o 40.707  4.8949  935.224    211.488  1044.45    279.276  788.374    323.822  42.541  6.2472  35.995  8.4507  6.546787       10.50913  
1 1 1 -7  97  4  o 21.878  6.9431  273.240    184.777  411.714    269.453  150.318    253.872  26.429  8.3840  19.979  7.9075  6.450188       11.52477  
1 1 1 -7  97  5  o 18.658  7.0333  156.868    193.707  109.553    300.100  190.660    253.615  20.324  8.3944  20.826  8.0002  -0.5019550     11.59610  
1 1 1 -7  97  6  o 15.309  6.5090  19.072     188.617  -218.3792  278.881  219.262    256.067  15.062  7.0148  21.493  8.0897  -6.431500      10.70746  
1 1 1 -7  97  7  o 39.967  5.0863  907.115    215.189  978.434    314.406  844.263    295.152  40.546  7.4332  37.562  7.5173  2.984444       10.57176  
1 1 1 -7  97  8  o 13.100  5.9483  -91.9628   183.495  -308.0386  254.241  142.971    265.103  13.241  6.3239  20.009  8.0271  -6.767856      10.21894  
1 1 1 -7  97  9  o 26.845  7.1571  433.182    211.897  814.390    314.379  115.821    286.846  36.491  8.1589  19.987  8.2258  16.50447       11.58583  
1 1 1 -7  97  10 o 35.090  5.9895  718.372    219.466  773.935    324.920  671.755    297.617  35.304  8.5812  32.967  8.3314  2.336746       11.96028  
1 1 1 -7  97  11 o 20.111  7.5542  194.906    223.072  259.926    385.626  162.207    273.471  24.308  9.7062  20.463  8.1728  3.844913       12.68871  
1 1 1 -7  97  12 o 69.929  3.9812  2722.64    300.288  2661.68    497.200  2757.64    376.764  67.333  6.9158  69.825  5.0152  -2.491783      8.542922  
1 1 1 -7  97  13 o 67.980  3.9877  2574.78    292.327  3009.85    470.232  2300.72    373.207  72.233  6.0666  63.460  5.4836  8.772598       8.177653  
1 1 1 -7  98  1  o 65.227  3.5944  2347.42    252.956  2308.81    365.458  2382.93    350.479  63.991  5.3211  65.163  5.0040  -1.172256      7.304416  
1 1 1 -7  98  2  o 67.501  3.5768  2513.15    260.566  2587.32    379.218  2446.80    358.635  67.817  5.2024  66.008  5.0547  1.808334       7.253648  
1 1 1 -7  98  3  o 42.942  4.6021  1035.67    210.713  1068.92    316.852  1009.30    282.144  42.637  7.1118  41.689  6.4574  0.9477882      9.606008  
1 1 1 -7  98  4  o 59.238  3.6868  1940.16    235.380  1946.15    340.212  1934.66    325.999  58.646  5.4172  58.572  5.1926  0.7365036E-01  7.503950  
1 1 1 -7  98  5  o 59.336  3.8334  1950.68    245.044  2110.90    367.070  1821.88    329.117  60.966  5.6222  56.698  5.4256  4.268578       7.813260  
1 1 1 -7  98  6  o 30.550  6.5296  551.887    209.510  449.663    296.761  653.466    295.824  27.418  8.8093  32.655  8.3357  -5.236395      12.12800  
1 1 1 -7  98  7  o 35.894  5.6093  742.622    210.933  810.961    309.803  683.564    287.997  36.508  8.0512  33.469  8.0443  3.038567       11.38124  
1 1 1 -7  98  8  o 53.977  3.9770  1621.13    230.866  1518.57    321.815  1729.89    331.384  51.428  5.8833  55.049  5.6375  -3.620697      8.148287  
1 1 1 -7  98  9  o 96.951  3.4296  5177.75    360.142  5434.78    541.398  4973.74    482.339  98.208  5.1074  94.193  4.7431  4.014977       6.970103  
1 1 1 -7  98  10 o 118.449 3.3439  7727.38    428.997  7632.06    620.265  7814.79    593.974  116.592 4.9118  118.206 4.6394  -1.613449      6.756413  
1 1 1 -7  98  11 o 85.735  3.6460  4062.54    338.568  4361.85    510.398  3827.36    452.438  87.644  5.4030  82.288  5.1015  5.356255       7.430901  
1 1 1 -7  98  12 o 38.382  6.0835  860.985    244.466  856.170    410.573  863.630    304.285  36.284  10.084  37.657  7.7197  -1.373383      12.69986  
1 1 1 -7  99  1  o 83.878  3.2591  3862.61    296.086  3586.85    422.658  4128.35    414.906  80.009  4.9009  86.097  4.4646  -6.087914      6.629618  
1 1 1 -7  99  2  o 89.976  3.2776  4445.55    319.410  4713.39    461.628  4199.55    442.412  91.899  4.6530  86.690  4.7297  5.208977       6.634762  
1 1 1 -7  99  3  o 24.176  6.9827  345.499    193.082  575.245    295.352  174.034    255.156  30.640  8.5663  20.453  7.9780  10.18691       11.70595  
1 1 1 -7  99  4  o 43.706  4.5093  1072.58    210.396  1115.77    306.066  1033.88    289.697  43.708  6.6770  42.093  6.5687  1.614998       9.366463  
1 1 1 -7  99  5  f 69.925  3.6376  2702.12    274.544  2891.09    395.902  2527.06    381.052  71.636  5.1367  66.866  5.3051  4.769981       7.384407  
1 1 1 -7  99  6  o 84.295  3.3665  3908.22    307.366  3411.07    432.350  4416.23    437.052  77.796  5.1603  88.935  4.5525  -11.13866      6.881440  
1 1 1 -7  99  7  o 25.231  7.3709  380.612    214.052  433.692    299.457  325.156    306.083  26.955  8.8629  24.514  8.9117  2.441145       12.56860  
1 1 1 -7  99  8  o 88.198  3.2807  4278.70    313.398  3935.25    443.836  4620.22    442.590  83.652  4.9203  91.039  4.4885  -7.387215      6.660042  
1 1 1 -7  99  9  o 29.930  7.0702  540.150    225.545  527.602    348.874  549.160    295.634  29.229  9.5642  29.756  8.6536  -0.5275345     12.89798  
1 1 1 -7  99  10 f 67.483  3.8618  2529.57    281.092  2550.82    414.531  2511.48    382.453  66.743  5.7918  66.482  5.3568  0.2604599      7.889215  
1 1 1 -7  99  11 o 31.306  7.2874  594.133    242.469  718.877    408.744  526.403    301.184  33.348  10.289  29.124  8.8025  4.224003       13.54058  
1 1 1 -7  100 1  o 42.172  4.5635  1000.51    205.119  1093.52    281.908  895.864    299.012  43.481  6.1583  38.749  7.3944  4.731785       9.622936  
1 1 1 -7  100 2  o 62.061  3.5698  2128.21    238.944  2311.23    347.595  1964.23    329.007  64.059  5.0508  58.955  5.2060  5.104374       7.253437  
1 1 1 -7  100 3  o 31.087  6.2551  568.162    203.319  386.707    313.263  700.233    267.258  26.015  9.0613  34.128  7.4401  -8.112701      11.72438  
1 1 1 -7  100 4  o 12.094  5.6782  -179.4650  188.951  -312.4253  260.791  -32.5403   274.144  13.431  6.4117  17.235  7.5830  -3.804550      9.930369  
1 1 1 -7  100 5  o 42.973  4.8506  1044.54    221.816  953.482    336.475  1114.52    294.993  39.600  8.1175  43.745  6.4167  -4.145252      10.34739  
1 1 1 -7  100 6  o 75.114  3.4267  3106.59    278.786  2971.07    402.696  3231.33    386.339  72.544  5.1587  75.916  4.7219  -3.371796      6.993518  
1 1 1 -7  100 7  o 112.132 3.2609  6915.35    396.036  6678.27    567.208  7140.88    553.213  109.223 4.7947  113.152 4.5140  -3.929535      6.585181  
1 1 1 -7  100 8  o 67.268  3.7182  2507.82    269.851  2549.40    372.937  2462.13    390.955  67.120  5.1697  65.747  5.5418  1.373886       7.578759  
1 1 1 -7  100 9  o 105.100 3.2938  6078.88    374.947  6119.59    537.068  6040.16    523.695  104.562 4.7423  103.945 4.6516  0.6168747      6.642791  
1 1 1 -7  100 10 o 70.723  3.7853  2774.89    288.909  3203.55    427.013  2413.02    392.342  75.180  5.2775  65.001  5.6284  10.17923       7.715600  
1 1 1 -7  101 1  o 25.171  6.5110  376.478    178.849  452.706    254.715  302.350    251.182  27.354  8.0547  23.326  8.1145  4.028137       11.43340  
1 1 1 -7  101 2  o 38.439  5.1469  842.499    208.904  797.223    297.267  886.675    293.636  36.283  7.7967  38.544  7.3010  -2.261078      10.68148  
1 1 1 -7  101 3  o 19.908  7.3786  193.208    211.426  428.553    319.779  10.432     281.810  26.972  9.1641  18.102  7.8294  8.870523       12.05328  
1 1 1 -7  101 4  o 32.245  5.9160  606.922    199.001  461.918    290.642  734.896    273.042  27.613  8.7019  34.926  7.4453  -7.312956      11.45233  
1 1 1 -7  101 5  o 24.115  7.2430  345.145    204.388  173.828    314.332  470.635    269.026  21.625  8.7176  27.794  8.3011  -6.169153      12.03761  
1 1 1 -7  101 6  o 39.108  5.1877  873.566    214.314  916.922    313.402  835.483    293.727  38.964  7.6992  37.224  7.5436  1.739731       10.77889  
1 1 1 -7  101 7  o 40.606  4.9016  935.899    211.214  824.746    296.630  1050.21    300.817  36.916  7.6693  42.209  6.8120  -5.292904      10.25772  
1 1 1 -7  101 8  o 59.363  3.8667  1958.15    247.256  1889.25    353.019  2024.49    346.421  57.435  5.7521  59.649  5.4212  -2.214066      7.904202  
1 1 1 -7  102 1  o 58.411  3.7095  1890.95    233.466  1816.38    342.000  1956.02    319.491  56.392  5.6765  58.843  5.0622  -2.451279      7.605837  
1 1 1 -7  102 2  o 39.301  5.1675  881.147    214.631  956.050    301.267  803.948    305.853  40.076  7.2055  36.320  7.9918  3.755581       10.76048  
1 1 1 -7  102 3  o 77.456  3.3744  3301.54    283.089  3286.39    417.052  3314.49    385.503  76.369  5.0709  76.933  4.6482  -0.5649643     6.878917  
1 1 1 -7  102 4  o 87.617  3.2419  4219.34    307.653  4339.28    442.552  4107.16    427.987  88.057  4.6567  85.679  4.6291  2.377312       6.566089  
1 1 1 -7  102 5  o 20.868  7.2799  235.690    202.238  189.700    311.037  269.373    266.186  21.856  8.7202  22.702  8.3018  -0.8454247     12.04003  
1 1 1 -7  102 6  o 32.344  6.3940  617.606    216.052  700.713    305.630  534.593    305.458  33.678  8.4054  29.435  8.8576  4.243059       12.21095  
1 1 1 -7  102 7  o 19.050  7.2384  164.587    206.206  10.582     291.117  319.662    292.126  18.339  7.9448  24.185  8.7192  -5.846060      11.79597  
1 1 1 -7  103 1  o 70.160  3.4913  2711.58    265.303  2618.45    375.691  2804.23    374.703  68.110  5.1304  70.604  4.9308  -2.494034      7.115756  
1 1 1 -7  103 2  o 24.533  7.0814  358.355    198.635  498.153    308.040  258.849    259.884  28.563  8.9518  22.371  8.1996  6.191603       12.13955  
1 1 1 -7  103 3  o 42.455  4.8412  1020.06    218.634  1127.04    331.810  937.975    290.652  43.549  7.2924  39.788  7.0001  3.761288       10.10844  
1 1 1 -7  103 4  o 37.663  6.0219  824.378    237.372  961.951    334.083  684.120    337.329  39.798  8.0274  33.056  9.1233  6.742256       12.15209  
1 1 1 -6  0   1  o 195.647 5.3344  20784.37   1128.48  20784.37   1128.48  20784.37   1128.48  195.647 5.3344  195.647 5.3344  -0.000000      0.000000  
1 1 1 -6  0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  0   3  o 100.078 3.7179  5447.71    401.740  5447.71    401.740  5447.71    401.740  100.078 3.7179  100.078 3.7179  0.000000       0.000000  
1 1 1 -6  0   4  o 154.379 4.5582  12945.28   760.661  12945.28   760.661  12945.28   760.661  154.379 4.5582  154.379 4.5582  0.000000       0.000000  
1 1 1 -6  0   5  o 170.530 4.8641  15793.47   896.752  15793.47   896.752  15793.47   896.752  170.530 4.8641  170.530 4.8641  0.000000       0.000000  
1 1 1 -6  0   6  o 490.073 11.619  130549.80  6159.54  130549.80  6159.54  130549.80  6159.54  490.073 11.619  490.073 11.619  -0.000000      0.000000  
1 1 1 -6  0   7  o 451.741 10.709  110850.60  5232.96  110850.60  5232.96  110850.60  5232.96  451.741 10.709  451.741 10.709  0.000000       0.000000  
1 1 1 -6  0   8  o 349.028 8.5346  66134.38   3222.02  66134.38   3222.02  66134.38   3222.02  349.028 8.5346  349.028 8.5346  0.000000       0.000000  
1 1 1 -6  0   9  o 501.475 11.604  136549.20  6295.29  136549.20  6295.29  136549.20  6295.29  501.475 11.604  501.475 11.604  -0.000000      0.000000  
1 1 1 -6  0   10 o 95.194  3.8440  4932.02    394.869  4932.02    394.869  4932.02    394.869  95.194  3.8440  95.194  3.8440  0.000000       0.000000  
1 1 1 -6  0   11 o 539.886 12.742  158329.50  7441.40  158329.50  7441.40  158329.50  7441.40  539.886 12.742  539.886 12.742  0.000000       0.000000  
1 1 1 -6  0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  0   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  0   14 o 573.067 13.484  178577.80  8359.10  178577.80  8359.10  178577.80  8359.10  573.067 13.484  573.067 13.484  -0.000000      0.000000  
1 1 1 -6  0   15 o 87.267  4.1055  4152.67    386.087  4152.67    386.087  4152.67    386.087  87.267  4.1055  87.267  4.1055  -0.000000      0.000000  
1 1 1 -6  0   16 o 608.990 14.285  202064.80  9410.59  202064.80  9410.59  202064.80  9410.59  608.990 14.285  608.990 14.285  0.000000       0.000000  
1 1 1 -6  0   17 o 120.902 4.2854  7949.81    559.571  7949.81    559.571  7949.81    559.571  120.902 4.2854  120.902 4.2854  0.000000       0.000000  
1 1 1 -6  0   18 o 117.402 4.2970  7498.69    544.745  7498.69    544.745  7498.69    544.745  117.402 4.2970  117.402 4.2970  0.000000       0.000000  
1 1 1 -6  0   19 o 111.401 4.2234  6754.12    507.933  6754.12    507.933  6754.12    507.933  111.401 4.2234  111.401 4.2234  -0.000000      0.000000  
1 1 1 -6  0   20 o 155.737 4.7904  13184.80   806.307  13184.80   806.307  13184.80   806.307  155.737 4.7904  155.737 4.7904  0.000000       0.000000  
1 1 1 -6  0   21 o 156.083 5.2696  13255.54   888.541  13255.54   888.541  13255.54   888.541  156.083 5.2696  156.083 5.2696  0.000000       0.000000  
1 1 1 -6  0   22 o 21.435  9.4307  358.843    229.342  358.843    229.342  358.843    229.342  21.435  9.4307  21.435  9.4307  -0.000000      0.000000  
1 1 1 -6  0   23 o 54.899  4.9440  1674.13    288.494  1674.13    288.494  1674.13    288.494  54.899  4.9440  54.899  4.9440  0.000000       0.000000  
1 1 1 -6  0   24 o 45.228  5.5932  1160.45    262.736  1160.45    262.736  1160.45    262.736  45.228  5.5932  45.228  5.5932  -0.000000      0.000000  
1 1 1 -6  0   25 o 98.485  4.2155  5292.99    447.792  5292.99    447.792  5292.99    447.792  98.485  4.2155  98.485  4.2155  0.000000       0.000000  
1 1 1 -6  0   26 o 22.168  9.2423  378.712    221.775  378.712    221.775  378.712    221.775  22.168  9.2423  22.168  9.2423  0.000000       0.000000  
1 1 1 -6  0   27 o 34.315  1.3600  640.977    50.367   640.977    50.367   640.977    50.367   34.315  1.3600  34.315  1.3600  -0.000000      0.000000  
1 1 1 -6  0   28 o 65.041  5.1342  2351.16    356.501  2351.16    356.501  2351.16    356.501  65.041  5.1342  65.041  5.1342  -0.000000      0.000000  
1 1 1 -6  0   29 o 17.629  1.4630  171.887    27.492   171.887    27.492   171.887    27.492   17.629  1.4630  17.629  1.4630  0.000000       0.000000  
1 1 1 -6  0   30 f 89.451  4.6340  4411.68    446.218  4411.68    446.218  4411.68    446.218  89.451  4.6340  89.451  4.6340  0.000000       0.000000  
1 1 1 -6  0   31 o 79.811  3.5150  3494.66    302.506  3494.66    302.506  3494.66    302.506  79.811  3.5150  79.811  3.5150  0.000000       0.000000  
1 1 1 -6  0   32 o 91.034  4.6673  4593.15    457.436  4593.15    457.436  4593.15    457.436  91.034  4.6673  91.034  4.6673  -0.000000      0.000000  
1 1 1 -6  0   33 o 13.493  8.6126  51.717     279.796  51.717     279.796  51.717     279.796  13.493  8.6126  13.493  8.6126  0.000000       0.000000  
1 1 1 -6  0   34 o 30.221  1.8406  502.402    59.734   502.402    59.734   502.402    59.734   30.221  1.8406  30.221  1.8406  0.000000       0.000000  
1 1 1 -6  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  1   1  o 524.859 17.623  150580.50  10018.35 0.0000     0.0000   150580.50  10018.35 ?       ?       524.859 17.623  0.000000       17.62313  
1 1 1 -6  1   2  o 475.590 16.042  123493.40  8263.39  123493.40  8263.39  0.0000     0.0000   475.590 16.042  ?       ?       0.000000       16.04190  
1 1 1 -6  1   3  o 499.038 11.821  135503.50  6389.15  140559.80  9035.69  130447.40  9035.54  507.150 16.450  488.393 17.081  18.75653       23.71392  
1 1 1 -6  1   4  f 401.904 6.8213  87620.64   2969.32  87164.63   4199.25  88076.66   4199.25  400.520 9.6800  402.617 9.6296  -2.096924      13.65405  
1 1 1 -6  1   5  o 423.760 7.1497  97419.91   3281.53  98959.84   4640.94  95880.19   4640.61  426.730 10.041  420.014 10.201  6.715881       14.31378  
1 1 1 -6  1   6  o 377.647 6.4322  77331.08   2630.96  79008.16   3038.06  72301.03   5261.44  381.647 7.3496  364.409 13.330  17.23807       15.22231  
1 1 1 -6  1   7  o 446.191 7.5084  107959.40  3628.60  105922.90  5131.53  109996.10  5131.71  441.656 10.727  450.090 10.527  -8.434540      15.02956  
1 1 1 -6  1   8  o 364.848 6.1695  72138.43   2438.00  72346.59   3447.65  71930.22   3448.04  365.248 8.7150  364.194 8.7412  1.054077       12.34336  
1 1 1 -6  1   9  o 330.903 6.4446  59336.72   2309.75  63994.39   4003.27  57012.54   2827.91  343.447 10.762  324.299 8.0510  19.14746       13.44005  
1 1 1 -6  1   10 o 252.115 4.5057  34433.15   1230.36  33579.91   2460.84  34717.53   1420.67  248.849 9.1301  253.141 5.1816  -4.292435      10.49800  
1 1 1 -6  1   11 o 867.169 14.235  408630.59  13370.01 414734.00  26739.72 406596.09  15438.42 869.214 28.403  864.504 16.488  4.710022       32.84153  
1 1 1 -6  1   12 o 918.246 30.521  464536.50  30354.78 0.0000     0.0000   464536.50  30354.78 ?       ?       918.246 30.521  0.000000       30.52095  
1 1 1 -6  1   13 o 163.467 4.8553  14478.30   859.644  13463.67   1214.86  15495.83   1216.59  157.589 7.1175  169.076 6.6434  -11.48700      9.736211  
1 1 1 -6  1   14 o 147.688 3.2621  11815.54   521.813  11904.43   737.964  11726.66   737.947  148.221 4.5968  147.110 4.6314  1.111511       6.525364  
1 1 1 -6  1   15 o 64.097  2.4130  2225.38    167.519  2289.37    298.993  2196.10    202.244  64.857  4.2804  63.671  2.9327  1.186111       5.188653  
1 1 1 -6  1   16 o 240.315 4.6981  31305.42   1222.84  31475.95   1621.44  31080.49   1862.17  240.882 6.2148  239.297 7.1848  1.585541       9.499698  
1 1 1 -6  1   17 o 197.880 3.8582  21222.51   826.899  20678.54   1169.98  21765.43   1168.84  195.244 5.5326  200.318 5.3872  -5.074097      7.722168  
1 1 1 -6  1   18 o 204.699 3.9418  22714.32   873.936  22884.03   1236.70  22545.03   1235.17  205.362 5.5600  203.833 5.5948  1.529297       7.887639  
1 1 1 -6  1   19 o 358.426 6.5788  69797.27   2553.98  70681.63   3354.26  68577.25   3939.70  360.280 8.5958  354.464 10.262  5.816284       13.38621  
1 1 1 -6  1   20 o 386.323 6.5932  81120.95   2758.76  83282.59   3902.03  78960.55   3900.92  390.754 9.2197  380.405 9.4678  10.34827       13.21525  
1 1 1 -6  1   21 o 351.981 6.0741  67327.81   2315.66  68718.73   3275.13  65937.39   3274.54  355.001 8.5178  347.692 8.6953  7.308411       12.17217  
1 1 1 -6  1   22 o 223.741 4.2224  27164.19   1023.24  25950.46   1446.06  28381.34   1448.09  218.448 6.1118  228.490 5.8514  -10.04204      8.461252  
1 1 1 -6  1   23 o 110.927 2.9220  6671.30    351.059  6830.98    496.847  6512.10    496.098  112.185 4.0890  109.530 4.1818  2.655388       5.848730  
1 1 1 -6  1   24 o 54.748  2.4083  1624.85    142.805  1777.85    292.563  1576.99    163.622  56.983  4.7845  53.852  2.8150  3.131317       5.551228  
1 1 1 -6  1   25 o 114.518 2.9603  7117.52    367.179  7452.26    527.806  6803.60    511.134  117.056 4.1631  111.839 4.2196  5.216919       5.927580  
1 1 1 -6  1   26 o 195.833 4.0197  20887.22   852.617  21363.44   1142.69  20289.09   1280.64  197.626 5.3384  192.280 6.1492  5.345718       8.143209  
1 1 1 -6  1   27 o 85.331  2.8002  3958.17    258.804  3829.42    328.521  4168.78    420.171  83.826  3.6184  87.208  4.4633  -3.382156      5.745744  
1 1 1 -6  1   28 o 61.908  3.6746  2099.63    245.286  1961.68    345.369  2240.03    348.423  59.426  5.4256  63.622  5.0991  -4.195950      7.445670  
1 1 1 -6  1   29 o 23.012  7.1133  298.814    195.260  504.184    275.687  92.094     276.593  29.320  8.3042  19.720  8.0922  9.599277       11.59499  
1 1 1 -6  1   30 o 71.205  3.4817  2777.33    268.518  2709.05    379.335  2845.90    380.149  69.716  5.0581  71.510  4.9384  -1.794365      7.069123  
1 1 1 -6  1   31 o 16.563  1.6403  150.496    29.039   159.207    41.121   141.830    41.015   16.941  2.3006  15.945  2.4536  0.9955702      3.363493  
1 1 1 -6  1   32 o 44.239  4.7931  1106.43    225.989  1030.40    318.913  1183.11    320.285  41.539  7.3576  44.859  6.8057  -3.319420      10.02256  
1 1 1 -6  1   33 o 22.861  7.3063  312.130    204.342  452.569    289.287  172.279    288.680  26.935  8.7023  20.741  8.3568  6.193693       12.06509  
1 1 1 -6  1   34 o 23.103  2.0823  294.851    51.544   497.555    298.613  288.626    52.329   27.102  8.8475  22.843  2.1400  4.258966       9.102621  
1 1 1 -6  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  2   1  o 133.968 2.9673  9722.10    430.565  9715.23    608.898  9728.98    608.923  133.903 4.1984  133.998 4.1956  -0.9478760E-01 5.935463  
1 1 1 -6  2   2  o 223.930 4.1559  27171.02   1007.96  27380.78   1425.53  26961.30   1425.42  224.731 5.8566  223.001 5.9015  1.730026       8.314278  
1 1 1 -6  2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  2   4  o 141.820 3.0585  10895.79   469.796  11105.96   664.269  10685.46   664.513  143.158 4.2841  140.420 4.3692  2.738205       6.119123  
1 1 1 -6  2   5  o 356.153 6.1121  68781.80   2357.75  66305.92   3334.27  71257.98   3334.47  349.442 8.8096  362.290 8.4977  -12.84775      12.24007  
1 1 1 -6  2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  2   7  o 654.507 10.760  232621.09  7628.07  230731.41  10787.66 234510.91  10787.78 650.942 15.301  656.281 15.177  -5.338745      21.55092  
1 1 1 -6  2   8  o 668.716 11.000  242704.20  7967.43  240842.59  11267.54 244565.80  11267.76 665.403 15.634  670.549 15.514  -5.146118      22.02556  
1 1 1 -6  2   9  o 852.428 28.238  398395.91  26071.02 398395.91  26071.02 0.0000     0.0000   852.428 28.238  ?       ?       0.000000       28.23776  
1 1 1 -6  2   10 o 529.535 8.8199  152041.00  5058.55  151437.30  10116.82 152242.20  5841.17  527.507 17.707  529.778 10.180  -2.270935      20.42462  
1 1 1 -6  2   11 o 807.020 13.168  353736.59  11510.39 355618.81  23020.31 353109.19  13291.14 805.624 26.382  805.907 15.227  -0.2835083     30.46091  
1 1 1 -6  2   12 o 588.658 13.898  188333.20  8861.29  0.0000     0.0000   188333.20  8861.29  ?       ?       588.658 13.898  0.000000       13.89837  
1 1 1 -6  2   13 o 422.383 12.100  96920.34   5535.58  95544.02   6624.98  100103.80  10075.72 419.075 14.596  427.214 21.848  -8.138763      26.27503  
1 1 1 -6  2   14 o 361.716 6.2148  70929.84   2434.80  68372.31   3443.23  73487.67   3443.44  354.936 8.9567  368.002 8.6392  -13.06570      12.44416  
1 1 1 -6  2   15 o 330.988 6.7167  59420.26   2407.91  59765.53   3405.98  59075.27   3404.61  331.695 9.4805  329.768 9.5321  1.926514       13.44401  
1 1 1 -6  2   16 o 301.488 5.3086  49284.89   1733.48  49798.95   2451.96  48771.20   2451.08  302.874 7.4745  299.724 7.5503  3.149078       10.62428  
1 1 1 -6  2   17 o 205.145 4.4254  22815.17   983.284  23483.34   1391.53  22148.83   1389.62  208.022 6.1761  202.013 6.3511  6.009216       8.858896  
1 1 1 -6  2   18 o 407.757 6.9329  90316.79   3061.87  91873.34   4330.49  88760.73   4329.79  410.647 9.7364  403.589 9.9051  7.058441       13.88911  
1 1 1 -6  2   19 o 348.283 6.0174  65868.30   2269.92  63880.75   3210.20  67855.71   3210.09  342.496 8.6538  353.048 8.3948  -10.55283      12.05660  
1 1 1 -6  2   20 o 288.767 5.1276  45258.33   1603.72  45989.55   2268.57  44527.85   2267.43  290.776 7.2032  286.098 7.3173  4.678131       10.26782  
1 1 1 -6  2   21 o 148.949 3.4356  12028.29   554.254  11869.39   811.920  12166.96   758.475  147.865 5.0696  149.734 4.6768  -1.869141      6.897382  
1 1 1 -6  2   22 o 139.894 3.2755  10611.11   496.307  10148.13   718.620  11033.34   686.265  136.710 4.8532  142.578 4.4439  -5.868179      6.580438  
1 1 1 -6  2   23 o 145.176 3.3152  11430.72   521.279  11464.13   759.884  11401.03   716.433  145.268 4.8296  144.892 4.5652  0.3762360      6.645739  
1 1 1 -6  2   24 o 168.751 3.5299  15455.67   645.184  15582.78   913.471  15329.13   911.389  169.260 4.9828  167.873 5.0125  1.387589       7.067740  
1 1 1 -6  2   25 o 64.801  3.1089  2279.50    218.198  2372.48    312.099  2190.61    305.175  65.885  4.3989  63.287  4.4811  2.598358       6.279343  
1 1 1 -6  2   26 o 76.020  2.9856  3139.52    245.830  3354.88    355.690  2942.57    340.143  78.352  4.2067  73.350  4.3003  5.002411       6.015684  
1 1 1 -6  2   27 o 27.752  6.7671  442.915    201.577  345.072    282.638  544.204    287.573  25.527  8.6158  30.682  8.4053  -5.155157      12.03665  
1 1 1 -6  2   28 o 116.021 3.1100  7332.33    390.807  6812.10    540.170  7903.73    566.112  111.484 4.4735  120.123 4.3512  -8.639511      6.240596  
1 1 1 -6  2   29 o 12.866  5.9012  -125.5522  186.620  -102.0531  262.846  -149.4391  265.007  16.158  7.2471  15.602  7.1090  0.5557451      10.15176  
1 1 1 -6  2   30 o 71.924  3.4733  2833.63    270.579  3283.71    383.170  2385.95    382.144  76.962  4.6180  65.250  5.4573  11.71234       7.149037  
1 1 1 -6  2   31 o 30.715  0.9937  511.498    33.057   444.961    46.546   579.214    46.956   28.586  1.5087  32.670  1.3270  -4.083645      2.009249  
1 1 1 -6  2   32 o 80.683  3.3693  3583.29    294.440  3806.65    416.142  3359.37    416.661  82.423  4.6808  77.226  5.0084  5.196426       6.855176  
1 1 1 -6  2   33 f 16.744  6.8713  81.273     199.432  -128.7458  280.745  295.210    283.351  15.905  7.2740  23.166  8.5506  -7.261070      11.22609  
1 1 1 -6  2   34 o 14.575  6.4419  -15.1107   200.030  -183.3571  283.298  152.158    282.474  14.967  7.0033  19.603  8.1243  -4.636764      10.72613  
1 1 1 -6  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  3   1  o 412.196 6.9712  92151.04   3112.29  90472.51   4401.39  93829.66   4401.51  408.106 9.9574  415.632 9.7774  -7.525574      13.95519  
1 1 1 -6  3   2  o 270.895 4.8240  39771.44   1415.39  39537.88   2001.53  40005.07   2001.79  269.994 6.8444  271.587 6.8052  -1.592804      9.651779  
1 1 1 -6  3   3  f 154.282 3.2090  12895.00   536.234  12404.05   757.798  13387.38   758.903  151.288 4.6247  157.174 4.4579  -5.886337      6.423456  
1 1 1 -6  3   4  o 286.859 5.0680  44604.48   1574.63  44449.26   2226.98  44759.66   2226.74  286.225 7.1835  287.225 7.1578  -0.9996033     10.14083  
1 1 1 -6  3   5  o 527.164 8.7532  150894.41  4997.83  149231.91  5770.97  155881.91  9995.84  524.011 10.168  533.775 17.290  -9.763550      20.05812  
1 1 1 -6  3   6  o 368.223 6.3094  73515.00   2516.35  73583.58   2905.65  73309.28   5032.67  368.322 7.2836  367.052 12.659  1.270844       14.60486  
1 1 1 -6  3   7  f 563.989 9.2884  172603.20  5673.89  175304.91  6551.69  164498.50  11347.57 568.208 10.646  548.827 19.090  19.38153       21.85739  
1 1 1 -6  3   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  3   9  o 254.437 4.5834  35070.63   1263.09  33928.52   2526.07  35451.38   1458.51  250.132 9.3241  255.801 5.2643  -5.669586      10.70752  
1 1 1 -6  3   10 o 749.273 12.322  304759.00  10000.08 303249.00  19999.82 305262.41  11547.16 744.712 24.795  749.594 14.223  -4.882263      28.58468  
1 1 1 -6  3   11 o 503.359 8.3541  137375.50  4554.56  139196.09  9108.89  136768.50  5259.20  505.800 16.627  502.145 9.6699  3.655029       19.23450  
1 1 1 -6  3   12 o 488.192 11.433  129384.00  6045.27  0.0000     0.0000   129384.00  6045.27  ?       ?       488.192 11.433  0.000000       11.43286  
1 1 1 -6  3   13 o 457.856 12.896  113933.30  6395.31  113335.30  11687.59 114188.90  7640.67  454.095 23.847  458.021 15.402  -3.926422      28.38823  
1 1 1 -6  3   14 o 148.187 3.9152  11897.12   628.390  11477.13   1211.57  12051.67   734.973  145.255 7.7288  149.136 4.5501  -3.880127      8.968718  
1 1 1 -6  3   15 o 317.257 5.5463  54566.02   1905.85  53940.05   2695.57  55191.72   2694.98  315.262 7.8942  318.906 7.8023  -3.644714      11.09931  
1 1 1 -6  3   16 o 155.575 3.3464  13113.95   563.885  13100.07   798.594  13127.75   796.318  155.454 4.7430  155.619 4.7245  -0.1647644     6.694530  
1 1 1 -6  3   17 o 240.436 4.4295  31340.47   1153.52  31301.20   1631.91  31379.68   1630.74  240.156 6.2738  240.458 6.2614  -0.3018799     8.863777  
1 1 1 -6  3   18 o 104.924 2.8723  5965.06    326.423  6000.24    453.222  5927.13    470.526  105.207 3.9774  104.559 4.1548  0.6477661      5.751682  
1 1 1 -6  3   19 o 162.960 3.4343  14394.14   606.168  14517.99   858.399  14270.94   856.107  163.589 4.8447  162.189 4.8735  1.399536       6.871798  
1 1 1 -6  3   20 o 471.979 7.9506  121283.60  4064.37  121834.40  5747.79  120732.80  5747.98  471.794 11.248  469.633 11.300  2.160828       15.94409  
1 1 1 -6  3   21 o 274.966 4.9309  41039.20   1468.51  40885.89   2076.36  41192.63   2077.22  274.133 6.9931  275.163 6.9698  -1.030640      9.873311  
1 1 1 -6  3   22 o 305.346 5.3821  50656.20   1779.98  49611.37   2516.64  51702.08   2517.91  301.669 7.7023  308.000 7.5478  -6.331299      10.78397  
1 1 1 -6  3   23 o 209.379 4.0272  23793.32   913.295  23341.84   1290.48  24246.36   1292.71  207.147 5.7518  211.139 5.6528  -3.991470      8.064549  
1 1 1 -6  3   24 o 200.278 4.1231  21787.69   894.387  21747.26   1348.31  21819.46   1195.20  199.708 6.2334  200.188 5.5123  -0.4800720     8.321052  
1 1 1 -6  3   25 o 76.892  2.9947  3209.07    249.402  3442.32    357.927  2988.95    347.711  79.446  4.1743  73.989  4.3581  5.456543       6.034710  
1 1 1 -6  3   26 o 18.042  6.2648  160.849    149.689  332.346    223.607  21.588     201.499  24.551  7.6159  16.157  6.7909  8.394299       10.20386  
1 1 1 -6  3   27 o 116.656 3.1957  7406.15    403.780  7669.56    570.130  7141.08    571.936  118.440 4.4443  114.242 4.6222  4.197556       6.412239  
1 1 1 -6  3   28 o 76.866  2.8452  3215.41    236.874  2876.83    293.280  3850.69    401.734  72.483  3.7486  83.710  4.4468  -11.22733      5.816031  
1 1 1 -6  3   29 o 36.611  5.4630  757.583    209.997  695.152    294.723  821.963    299.290  34.335  8.0627  37.517  7.6252  -3.182457      11.09737  
1 1 1 -6  3   30 o 112.076 3.2123  6869.31    389.943  6597.90    550.613  7142.40    552.316  109.258 4.6529  113.759 4.4826  -4.501534      6.460914  
1 1 1 -6  3   31 o 55.542  2.3489  1681.59    141.301  1762.32    155.912  1310.43    334.305  56.829  2.5330  47.559  6.6736  9.269566       7.138137  
1 1 1 -6  3   32 o ?       ?       -295.4023  32.294   361.569    283.271  -304.0534  32.506   25.069  8.6231  ?       ?       0.000000       8.623079  
1 1 1 -6  3   33 o 45.846  1.6755  1144.28    83.199   1198.59    86.376   446.671    309.585  46.918  1.6998  26.831  9.0174  20.08700       9.176187  
1 1 1 -6  3   34 o 3.7819  1.8540  -50.9100   25.797   -49.6390   25.907   -199.6324  280.243  3.8251  1.8715  14.702  6.9069  -10.87726      7.155951  
1 1 1 -6  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  4   1  o 445.859 15.093  108432.50  7288.75  0.0000     0.0000   108432.50  7288.75  ?       ?       445.859 15.093  0.000000       15.09334  
1 1 1 -6  4   2  o 484.441 11.396  127638.70  5979.44  127638.70  5979.44  0.0000     0.0000   484.441 11.396  ?       ?       0.000000       11.39593  
1 1 1 -6  4   3  o 174.927 3.4692  16578.01   657.296  15973.86   929.120  17183.30   929.995  171.672 4.9969  178.057 4.8223  -6.385635      6.944308  
1 1 1 -6  4   4  o 516.723 8.5764  144977.09  4799.93  152865.00  6788.29  137089.91  6787.97  529.966 11.826  501.731 12.491  28.23438       17.20126  
1 1 1 -6  4   5  o 328.543 5.7086  58520.32   2031.38  59122.40   2345.65  56714.20   4062.66  330.169 6.5593  322.869 11.618  7.300201       13.34132  
1 1 1 -6  4   6  o 252.934 4.5781  34667.52   1254.19  34080.30   1448.18  36429.45   2508.53  250.756 5.3322  259.059 8.9403  -8.302902      10.40962  
1 1 1 -6  4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  4   8  o 614.605 10.048  204931.80  6689.08  209546.50  13377.87 203393.50  7723.94  619.862 19.926  612.105 11.650  7.757263       23.08205  
1 1 1 -6  4   9  o 834.381 27.637  381495.31  24976.54 0.0000     0.0000   381495.31  24976.54 ?       ?       834.381 27.637  0.000000       27.63744  
1 1 1 -6  4   10 o 600.254 9.8741  195423.80  6419.54  202453.50  12839.11 193080.59  7412.65  609.610 19.445  596.484 11.474  13.12543       22.57794  
1 1 1 -6  4   11 o 353.030 7.0073  67549.90   2679.36  0.0000     0.0000   67549.90   2679.36  ?       ?       353.030 7.0073  0.000000       7.007288  
1 1 1 -6  4   12 o 477.049 11.214  123534.60  5793.97  0.0000     0.0000   123534.60  5793.97  ?       ?       477.049 11.214  0.000000       11.21355  
1 1 1 -6  4   13 o 512.815 12.104  142868.91  6723.13  150126.50  9508.52  135613.00  9507.36  524.925 16.724  498.746 17.600  26.17957       24.27870  
1 1 1 -6  4   14 o 476.341 7.9948  123093.40  4124.71  127054.20  8248.62  121772.80  4762.96  482.726 15.776  473.635 9.2846  9.091125       18.30579  
1 1 1 -6  4   15 o 120.567 3.0302  7874.75    395.710  7795.90    785.646  7901.55    458.054  119.751 6.0772  120.766 3.5019  -1.014908      7.013958  
1 1 1 -6  4   16 o 268.245 4.8221  39007.53   1401.00  38669.45   1981.76  39345.30   1980.87  266.941 6.8543  269.268 6.7921  -2.327698      9.649553  
1 1 1 -6  4   17 f 132.581 3.1095  9524.28    446.514  9653.24    633.100  9396.64    629.845  133.441 4.3804  131.654 4.4170  1.786606       6.220771  
1 1 1 -6  4   18 o 111.947 2.9591  6790.65    358.797  6614.19    509.096  6964.79    505.751  110.450 4.2556  113.344 4.1197  -2.893669      5.923039  
1 1 1 -6  4   19 o 327.822 5.7127  58341.29   2028.38  56690.84   2868.41  59992.10   2868.72  322.734 8.2059  332.043 7.9767  -9.309723      11.44398  
1 1 1 -6  4   20 o 333.327 6.2050  60366.47   2240.18  59353.83   2945.11  61756.75   3450.83  330.110 8.2371  336.417 9.4706  -6.306396      12.55154  
1 1 1 -6  4   21 o 138.190 3.1904  10351.78   477.514  10183.47   673.903  10521.49   676.719  136.994 4.5418  139.253 4.4868  -2.258316      6.384268  
1 1 1 -6  4   22 o 166.941 3.4946  15113.39   631.870  14769.40   892.242  15459.49   894.962  164.912 4.9953  168.730 4.8971  -3.817886      6.995345  
1 1 1 -6  4   23 o 125.719 3.1181  8570.63    424.576  8739.51    598.510  8399.55    602.391  126.872 4.3555  124.371 4.4719  2.500725       6.242420  
1 1 1 -6  4   24 o 119.996 3.0784  7811.00    400.100  8166.04    567.484  7460.09    564.184  122.598 4.2737  117.163 4.4459  5.434570       6.166870  
1 1 1 -6  4   25 o 145.999 3.4046  11577.11   538.382  11666.19   789.049  11499.50   736.445  146.317 4.9790  145.321 4.6789  0.9964600      6.832412  
1 1 1 -6  4   26 o 76.098  2.9789  3145.96    245.529  3256.41    354.258  3043.86    340.606  77.180  4.2542  74.615  4.2320  2.565285       6.000718  
1 1 1 -6  4   27 o 54.997  3.9499  1658.76    233.719  1787.53    328.423  1526.63    332.676  56.805  5.4030  52.320  5.9779  4.484997       8.057798  
1 1 1 -6  4   28 o 49.373  2.0763  1323.59    111.034  1372.14    118.708  984.133    313.898  50.263  2.1805  41.420  7.2617  8.843296       7.581991  
1 1 1 -6  4   29 f 84.797  3.2574  3925.87    299.168  4113.58    421.966  3736.16    424.218  86.362  4.5269  82.205  4.7852  4.156471       6.587193  
1 1 1 -6  4   30 o 112.532 3.2014  6925.04    390.200  7078.20    551.060  6771.02    552.595  113.239 4.4930  110.700 4.6088  2.539001       6.436438  
1 1 1 -6  4   31 o 55.165  2.3865  1659.22    142.589  1719.42    157.623  1388.08    334.536  56.122  2.5931  49.068  6.4510  7.054173       6.952688  
1 1 1 -6  4   32 o 50.449  2.1480  1387.51    117.368  1264.70    321.230  1406.43    126.086  46.530  6.5558  50.768  2.2930  -4.238277      6.945209  
1 1 1 -6  4   33 o 48.425  2.3728  1283.43    124.450  1323.12    134.317  1042.62    330.816  49.068  2.5360  41.151  7.7054  7.916851       8.111994  
1 1 1 -6  4   34 o 19.810  1.2353  214.266    26.373   215.285    26.484   94.169     287.524  19.857  1.2376  18.716  7.9987  1.141459       8.093822  
1 1 1 -6  4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  5   2  o 263.450 4.7347  37615.07   1351.02  38466.47   1910.59  36763.59   1910.68  266.320 6.6236  260.349 6.7758  5.970428       9.475425  
1 1 1 -6  5   3  o 202.597 3.8518  22239.72   845.208  22044.98   1195.10  22434.60   1195.52  201.655 5.4717  203.431 5.4258  -1.775940      7.705798  
1 1 1 -6  5   4  o 339.962 5.8348  62665.11   2148.47  63736.84   2480.80  59449.56   4297.10  342.792 6.6818  330.479 12.005  12.31299       13.73921  
1 1 1 -6  5   5  f 304.398 5.2528  50226.25   1731.81  49890.64   1999.69  51233.18   3463.77  303.331 6.0866  307.015 10.416  -3.683624      12.06436  
1 1 1 -6  5   6  o 477.089 8.0140  123492.20  4141.12  125243.30  4781.78  118239.20  8282.08  480.321 9.1915  465.463 16.428  14.85788       18.82454  
1 1 1 -6  5   7  o 218.105 4.0908  25771.08   966.365  25320.31   1367.02  26221.35   1366.27  216.148 5.8392  219.963 5.7348  -3.815170      8.184394  
1 1 1 -6  5   8  o 192.646 3.7446  20103.32   781.323  20198.44   1105.69  20008.45   1104.23  193.078 5.2872  192.167 5.3053  0.9105377      7.490067  
1 1 1 -6  5   9  o 291.747 5.1799  46114.07   1636.79  49768.42   3273.84  44896.21   1889.96  302.916 9.9785  287.847 6.0621  15.06927       11.67558  
1 1 1 -6  5   10 o 382.536 6.5295  79300.69   2705.35  79216.91   5410.70  79328.62   3123.87  381.946 13.079  382.560 7.5392  -0.6139526     15.09651  
1 1 1 -6  5   11 o 412.859 6.9758  92385.29   3119.38  88365.05   6236.99  93726.38   3602.29  403.243 14.280  415.790 7.9990  -12.54691      16.36798  
1 1 1 -6  5   12 o 96.517  3.7647  5046.25    393.553  0.0000     0.0000   5046.25    393.553  ?       ?       96.517  3.7647  0.000000       3.764670  
1 1 1 -6  5   13 o 361.841 8.7806  71023.96   3441.22  74689.99   4867.33  67360.06   4865.92  370.780 12.120  352.056 12.761  18.72452       17.59935  
1 1 1 -6  5   14 o 313.598 5.4864  53302.68   1863.50  53604.91   3725.61  53201.83   2152.06  314.097 10.951  313.258 6.3428  0.8392639      12.65547  
1 1 1 -6  5   15 o 619.247 10.277  208431.20  6892.85  216731.09  13785.28 205664.41  7959.27  628.140 20.262  614.725 11.954  13.41473       23.52584  
1 1 1 -6  5   16 o 149.717 3.3018  12144.91   535.413  12582.83   1067.38  11997.67   618.910  152.288 6.4712  148.794 3.8404  3.493698       7.524910  
1 1 1 -6  5   17 o 237.185 5.4458  30515.69   1398.99  33267.52   2223.62  28712.76   1799.86  247.381 8.2989  229.928 7.2273  17.45287       11.00482  
1 1 1 -6  5   18 o 222.990 4.4611  26962.86   1077.44  27544.46   1432.99  26206.44   1634.23  225.277 5.8730  219.647 6.8694  5.629166       9.037714  
1 1 1 -6  5   19 o 262.870 4.7502  37484.96   1352.45  36048.44   1912.12  38923.07   1913.18  257.548 6.8547  267.655 6.5995  -10.10635      9.515244  
1 1 1 -6  5   20 o 249.988 4.5775  33904.05   1239.42  35808.58   1752.91  31999.99   1752.70  256.709 6.3045  242.625 6.6696  14.08409       9.177691  
1 1 1 -6  5   21 o 179.245 3.6472  17421.51   708.070  17306.57   1000.58  17536.81   1002.15  178.539 5.1743  179.725 5.1482  -1.186005      7.299092  
1 1 1 -6  5   22 o 105.645 2.9583  6050.17    338.507  6220.48    470.772  5867.85    487.087  107.075 4.0593  103.983 4.3249  3.092285       5.931511  
1 1 1 -6  5   23 o 103.778 3.0105  5839.62    338.385  5716.72    476.125  5965.05    481.011  102.615 4.2839  104.823 4.2367  -2.207932      6.025088  
1 1 1 -6  5   24 o 59.085  3.4365  1900.94    218.969  1613.70    311.972  2179.86    307.417  54.183  5.3874  63.169  4.5231  -8.985485      7.034351  
1 1 1 -6  5   25 o 80.108  2.9942  3483.14    259.792  3450.36    374.259  3513.63    360.908  79.511  4.3625  80.266  4.1657  -0.7550964     6.031998  
1 1 1 -6  5   26 o 79.694  2.6053  3447.81    224.876  3655.68    291.018  3139.76    354.277  82.003  3.2766  75.766  4.3352  6.236885       5.434127  
1 1 1 -6  5   27 o 35.622  5.6082  713.812    209.221  872.956    293.360  549.071    298.473  39.083  7.1952  30.826  8.6090  8.256886       11.21988  
1 1 1 -6  5   28 o 80.889  3.2758  3566.58    286.995  3418.67    403.574  3717.91    408.211  78.774  4.7523  82.204  4.6033  -3.429161      6.616299  
1 1 1 -6  5   29 o 84.538  3.2669  3902.25    299.133  3998.06    421.713  3805.22    424.375  85.114  4.5915  82.978  4.7416  2.135460       6.600349  
1 1 1 -6  5   30 o 40.943  5.0073  942.310    217.422  899.469    305.634  986.202    309.361  39.154  7.4797  41.147  7.2040  -1.993153      10.38475  
1 1 1 -6  5   31 o 40.782  5.0229  940.383    217.177  1032.26    305.477  846.486    308.820  41.997  6.9593  37.586  7.8397  4.411625       10.48298  
1 1 1 -6  5   32 o 27.567  1.9843  416.006    58.851   671.269    293.565  405.318    60.070   33.014  8.2368  27.198  2.0543  5.815378       8.489131  
1 1 1 -6  5   33 o 30.007  1.7797  492.264    57.584   492.528    58.208   480.145    394.228  30.012  1.7989  27.895  10.118  2.117641       10.27659  
1 1 1 -6  5   34 o 24.347  8.1073  384.856    250.281  134.774    460.816  489.493    298.078  22.230  9.8039  26.870  8.8429  -4.639942      13.20271  
1 1 1 -6  5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  6   1  o 280.007 4.9916  42495.00   1513.85  44741.21   2141.00  40249.18   2140.81  287.205 6.8826  272.383 7.2565  14.82288       10.00138  
1 1 1 -6  6   2  o 224.796 4.1310  27382.13   1005.80  28664.62   1422.35  26099.44   1422.46  229.940 5.7112  219.398 5.9860  10.54160       8.273438  
1 1 1 -6  6   3  o 150.285 3.1644  12235.56   515.089  11911.16   728.190  12560.41   728.701  148.252 4.5350  152.242 4.4192  -3.989594      6.332098  
1 1 1 -6  6   4  o 427.798 7.2366  99293.08   3353.06  100079.80  3871.69  96932.55   6706.62  429.362 8.3254  421.473 14.691  7.888916       16.88641  
1 1 1 -6  6   5  o 646.327 15.175  227946.41  10623.27 235486.80  15023.65 220406.20  15023.49 654.589 21.190  632.962 21.914  21.62775       30.48366  
1 1 1 -6  6   6  o 33.411  2.5856  608.263    92.838   578.124    108.624  689.938    178.818  32.519  3.1224  35.360  4.7926  -2.840473      5.720037  
1 1 1 -6  6   7  o 267.433 4.8006  38751.18   1390.53  39234.93   1966.93  38267.83   1966.08  269.032 6.7502  265.692 6.8321  3.339508       9.604263  
1 1 1 -6  6   8  o 397.067 6.7140  85448.03   2887.47  83554.00   4083.53  87342.00   4083.46  392.483 9.6060  401.295 9.3949  -8.811951      13.43655  
1 1 1 -6  6   9  o 732.751 12.065  291426.59  9575.04  300587.09  19150.03 288373.00  11056.31 741.766 23.836  728.618 14.010  13.14874       27.64840  
1 1 1 -6  6   10 o 303.869 5.8323  50031.87   1919.53  54511.29   5244.32  49338.92   2062.67  316.679 15.290  301.743 6.3113  14.93558       16.54114  
1 1 1 -6  6   11 o 311.530 5.4046  52584.45   1823.62  49165.16   3644.58  53726.43   2106.25  300.985 11.180  314.871 6.1760  -13.88562      12.77223  
1 1 1 -6  6   12 o 413.609 9.9903  92819.78   4475.47  0.0000     0.0000   92819.78   4475.47  ?       ?       413.609 9.9903  0.000000       9.990314  
1 1 1 -6  6   13 o 499.732 9.6243  135518.41  5209.27  139798.30  9021.64  133377.70  6380.41  506.574 16.443  495.504 11.889  11.07004       20.29040  
1 1 1 -6  6   14 o 742.582 12.242  299877.81  9846.12  303321.19  19691.77 298730.00  11369.41 742.197 24.496  740.634 14.173  1.563293       28.30072  
1 1 1 -6  6   15 o 148.208 3.3976  11900.44   545.397  11533.18   1049.31  12036.38   638.408  145.820 6.6438  149.042 3.9548  -3.221786      7.731763  
1 1 1 -6  6   16 o 172.027 3.7485  16036.48   698.434  16363.24   1665.06  15966.71   769.395  173.292 8.9012  171.641 4.1386  1.651260       9.816298  
1 1 1 -6  6   17 o 140.397 3.1825  10680.70   483.941  10242.48   952.185  10833.33   561.930  137.369 6.3997  141.383 3.6696  -4.014267      7.377139  
1 1 1 -6  6   18 o 297.526 5.2525  48024.73   1692.63  47191.89   3380.73  48303.34   1955.36  294.128 10.612  298.301 6.0520  -4.172485      12.21660  
1 1 1 -6  6   19 o 140.027 3.8100  10630.04   577.832  10456.10   1086.56  10698.64   682.315  138.488 7.2693  140.448 4.4854  -1.959885      8.541733  
1 1 1 -6  6   20 o 99.942  2.8221  5412.94    305.484  5617.07    418.191  5179.38    447.318  101.782 3.7935  97.721  4.2263  4.060364       5.679059  
1 1 1 -6  6   21 o 245.576 4.5161  32723.33   1201.21  33213.07   1698.55  32233.34   1698.99  247.173 6.3446  243.486 6.4424  3.687393       9.042055  
1 1 1 -6  6   22 o 210.841 4.0416  24118.79   922.943  23761.46   1304.32  24477.12   1306.16  209.073 5.7599  212.209 5.6828  -3.135742      8.091396  
1 1 1 -6  6   23 o 256.301 5.0129  35697.57   1391.58  34917.76   1841.14  36736.67   2125.30  253.139 6.7152  259.434 7.5635  -6.294647      10.11435  
1 1 1 -6  6   24 o 146.426 3.4944  11636.77   554.193  11988.60   785.045  11287.25   782.457  148.468 4.8819  144.043 5.0153  4.425323       6.999045  
1 1 1 -6  6   25 o 53.445  3.3071  1557.09    190.499  1828.97    289.846  1350.34    252.758  57.768  4.6725  49.566  4.7669  8.201618       6.675005  
1 1 1 -6  6   26 o 53.450  3.4020  1559.88    195.923  1554.81    285.913  1564.36    269.013  53.108  5.0305  53.330  4.7055  -0.2224884     6.888248  
1 1 1 -6  6   27 o 120.155 3.1805  7857.28    413.915  7505.23    581.039  8220.02    589.787  117.122 4.5803  122.610 4.4412  -5.487869      6.379926  
1 1 1 -6  6   28 o 89.232  2.9089  4334.37    281.139  4526.86    439.018  4200.55    366.040  90.875  4.4603  87.673  3.8547  3.202675       5.895212  
1 1 1 -6  6   29 o 26.992  6.8784  424.306    201.674  513.140    282.325  331.745    288.185  29.562  8.4143  25.020  8.6923  4.541832       12.09781  
1 1 1 -6  6   30 o 30.171  6.4784  530.729    205.377  899.524    287.291  145.270    293.710  39.328  7.0012  21.016  8.4427  18.31192       10.96795  
1 1 1 -6  6   31 o 60.866  4.4697  2064.57    292.601  2389.77    526.568  1919.30    351.938  63.785  7.7834  58.183  5.6562  5.601440       9.621533  
1 1 1 -6  6   32 f 27.216  7.8942  449.501    246.311  25.629     451.167  629.480    293.989  22.360  9.7854  31.914  8.3931  -9.554119      12.89177  
1 1 1 -6  6   33 o 52.140  2.4819  1489.63    140.161  1683.67    511.596  1473.89    145.738  50.949  9.6236  51.770  2.6075  -0.8209648     9.970572  
1 1 1 -6  6   34 o 33.582  7.9794  743.984    285.947  0.0000     0.0000   743.984    285.947  ?       ?       33.582  7.9794  0.000000       7.979363  
1 1 1 -6  6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  7   1  o 370.675 7.4119  74546.92   2975.74  68308.21   5154.58  77665.45   3644.36  354.079 13.441  378.195 8.8968  -24.11630      16.11853  
1 1 1 -6  7   2  o 128.166 2.9107  8898.36    404.056  9207.24    570.949  8588.45    571.894  130.354 4.0439  125.894 4.1941  4.459183       5.826136  
1 1 1 -6  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  7   4  o 413.311 6.9490  92667.02   3110.79  91748.98   3591.85  95422.20   6222.50  411.139 8.0660  418.392 13.731  -7.252380      15.92512  
1 1 1 -6  7   5  o 312.049 5.4482  52783.72   1841.40  52515.54   2126.24  53588.36   3682.97  311.205 6.3080  313.979 10.830  -2.773438      12.53314  
1 1 1 -6  7   6  o 200.097 3.8048  21691.57   824.605  21714.57   1166.57  21668.60   1165.76  200.165 5.3809  199.953 5.3828  0.2120361      7.611110  
1 1 1 -6  7   7  o 647.675 12.358  227894.30  8669.36  226471.50  10617.70 230739.91  15015.94 645.128 15.195  649.670 21.340  -4.542419      26.19710  
1 1 1 -6  7   8  o 454.737 7.6519  112094.70  3768.78  113617.20  5330.17  110572.70  5329.56  457.597 10.754  451.412 10.901  6.184448       15.31273  
1 1 1 -6  7   9  o 757.461 17.669  312207.81  14495.74 314056.69  20499.33 310358.50  20500.82 757.893 24.972  753.374 25.124  4.519104       35.42378  
1 1 1 -6  7   10 f 584.016 9.6377  184983.41  6096.33  171632.41  12191.49 189434.91  7039.65  561.166 20.058  590.869 11.000  -29.70343      22.87654  
1 1 1 -6  7   11 o 264.341 5.4995  37861.21   1574.57  36039.92   3885.27  38219.12   1722.34  257.161 14.002  265.575 5.9877  -8.413849      15.22842  
1 1 1 -6  7   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  7   13 o 388.310 7.5855  81762.51   3190.30  81644.38   5524.06  81821.63   3907.90  387.531 13.161  388.326 9.2913  -0.7949524     16.11006  
1 1 1 -6  7   14 o 95.578  2.9472  4948.34    305.094  5465.48    606.977  4773.51    352.917  100.259 5.6121  93.870  3.4712  6.389198       6.598872  
1 1 1 -6  7   15 o 528.748 8.7649  151817.70  5019.58  147549.50  10038.01 153240.80  5796.34  519.038 17.856  530.987 10.079  -11.94849      20.50380  
1 1 1 -6  7   16 o 343.513 7.0292  64046.97   2615.29  66504.98   6621.95  63592.72   2846.71  347.560 17.649  342.219 7.6801  5.341095       19.24741  
1 1 1 -6  7   17 o 192.242 3.9781  20031.75   828.316  18839.30   2038.81  20267.48   906.500  185.704 10.175  193.354 4.3286  -7.649796      11.05760  
1 1 1 -6  7   18 o 238.169 4.8053  30765.42   1239.58  31704.68   2316.91  30388.75   1467.23  241.342 8.8635  236.632 5.7247  4.709991       10.55153  
1 1 1 -6  7   19 o 369.579 6.3400  74194.90   2537.87  75787.87   5072.48  73663.01   2931.10  371.866 12.594  368.059 7.3527  3.807159       14.58323  
1 1 1 -6  7   20 o 113.783 3.0415  7016.72    374.825  7781.02    730.916  6744.01    436.605  119.704 5.6375  111.531 3.6143  8.172935       6.696613  
1 1 1 -6  7   21 f 90.909  3.4335  4480.70    338.072  4714.78    575.363  4357.26    417.803  92.983  5.7411  89.619  4.3043  3.364273       7.175459  
1 1 1 -6  7   22 o 125.085 3.6624  8486.22    496.179  8595.75    870.464  8433.50    603.893  125.527 6.4239  124.648 4.4730  0.8788605      7.827823  
1 1 1 -6  7   23 o 211.812 3.9983  24350.42   917.280  23992.26   1295.05  24711.00   1299.42  210.010 5.6935  213.143 5.6287  -3.133255      8.006110  
1 1 1 -6  7   24 o 127.123 3.1798  8767.69    437.815  8372.71    626.922  9143.72    611.687  124.095 4.6643  129.716 4.3538  -5.620857      6.380540  
1 1 1 -6  7   25 o 80.443  2.4162  3509.73    210.524  3508.28    300.069  3511.13    295.436  80.364  3.4474  80.401  3.3926  -0.3645325E-01 4.836755  
1 1 1 -6  7   26 o 201.793 4.0617  22185.31   887.728  23653.39   1347.06  21058.23   1180.28  207.632 5.9899  196.087 5.5573  11.54410       8.170874  
1 1 1 -6  7   27 o 81.006  2.6706  3566.18    234.315  3664.20    286.494  3368.13    407.221  82.046  3.2239  78.271  4.8271  3.775528       5.804703  
1 1 1 -6  7   28 o 159.430 4.0629  13905.41   701.585  13710.18   1221.19  14001.60   857.162  156.627 7.1986  159.587 4.9590  -2.960358      8.741355  
1 1 1 -6  7   29 o 71.248  3.0162  2768.50    232.753  2579.62    293.835  3086.64    381.336  68.486  3.9784  74.705  4.7374  -6.218758      6.186359  
1 1 1 -6  7   30 o 46.407  5.3698  1213.26    264.918  387.022    476.317  1583.32    318.770  28.486  10.959  52.991  5.6407  -24.50540      12.32530  
1 1 1 -6  7   31 o 28.757  7.3636  494.474    230.344  -150.8153  448.963  725.019    268.356  20.632  9.3427  34.909  7.3307  -14.27754      11.87542  
1 1 1 -6  7   32 o 43.664  5.3410  1089.01    247.320  397.100    481.057  1337.60    288.345  27.892  10.934  48.325  5.6136  -20.43262      12.29050  
1 1 1 -6  7   33 o 20.463  7.3065  229.294    204.653  78.792     451.044  268.311    229.654  22.455  9.8067  21.829  7.7457  0.6262646      12.49669  
1 1 1 -6  7   34 o 37.480  1.5258  765.888    61.938   0.0000     0.0000   765.888    61.938   ?       ?       37.480  1.5258  0.000000       1.525750  
1 1 1 -6  7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   1  f 467.883 15.808  119567.00  8011.06  0.0000     0.0000   119567.00  8011.06  ?       ?       467.883 15.808  0.000000       15.80819  
1 1 1 -6  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   3  o 279.669 4.9619  42394.66   1503.01  42051.70   1735.22  43424.92   3007.55  278.494 5.7527  282.685 9.8229  -4.191559      11.38344  
1 1 1 -6  8   4  o 282.138 4.9775  43145.39   1521.04  43249.54   1756.22  42832.78   3042.71  282.439 5.7410  280.751 10.006  1.687775       11.53614  
1 1 1 -6  8   5  o 341.714 5.2596  63290.55   1946.65  62207.54   2513.16  64914.91   3077.83  338.677 6.8512  345.858 8.2163  -7.181183      10.69795  
1 1 1 -6  8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   8  o 487.325 8.1269  128750.40  4289.55  126932.30  6066.45  130568.40  6066.22  483.602 11.582  490.495 11.419  -6.892761      16.26416  
1 1 1 -6  8   9  o 195.601 3.7911  20724.20   803.178  20858.02   1136.31  20590.59   1135.42  196.210 5.3469  194.948 5.3774  1.262360       7.583252  
1 1 1 -6  8   10 o 369.100 6.3094  73825.50   2522.34  72866.19   5043.42  74145.48   2912.79  366.338 12.711  369.861 7.2711  -3.523285      14.64357  
1 1 1 -6  8   11 o 286.287 5.0539  44405.45   1567.11  42215.67   3130.22  45137.88   1810.32  278.942 10.361  288.619 5.7911  -9.676514      11.86933  
1 1 1 -6  8   12 o 273.539 9.8027  40595.71   2904.26  0.0000     0.0000   40595.71   2904.26  ?       ?       273.539 9.8027  0.000000       9.802732  
1 1 1 -6  8   13 o 345.619 6.8850  64759.12   2577.32  68290.20   4460.63  62989.50   3157.78  354.567 11.615  340.765 8.5557  13.80173       14.42616  
1 1 1 -6  8   14 o 332.298 6.1090  59863.41   2198.71  58427.39   4086.17  60448.63   2608.54  327.839 11.508  333.847 7.2140  -6.007782      13.58187  
1 1 1 -6  8   15 o 364.648 6.6950  72125.59   2644.22  70157.82   4906.91  72930.85   3138.97  358.901 12.623  366.561 7.9062  -7.660675      14.89461  
1 1 1 -6  8   16 o 216.825 4.1119  25479.82   965.651  25088.53   1924.62  25611.46   1116.33  214.900 8.2687  217.357 4.7419  -2.456421      9.531891  
1 1 1 -6  8   17 o 147.753 3.2754  11829.64   524.165  11289.67   1036.08  12015.39   607.667  144.206 6.6335  148.893 3.7681  -4.687271      7.628969  
1 1 1 -6  8   18 o 222.117 4.1817  26748.59   1006.01  27284.00   2004.87  26568.41   1163.03  223.955 8.2652  221.323 4.8517  2.631744       9.584001  
1 1 1 -6  8   19 o 99.485  2.9550  5363.49    318.405  4629.29    613.810  5633.79    372.432  92.116  6.1881  101.951 3.3728  -9.835190      7.047561  
1 1 1 -6  8   20 o 190.325 4.0008  19643.92   824.732  19223.99   2018.68  19728.05   903.583  187.350 9.9842  190.707 4.3745  -3.356903      10.90051  
1 1 1 -6  8   21 f 446.124 8.0629  108460.10  3895.99  109311.00  7210.46  108109.20  4630.06  444.484 14.977  444.818 9.6102  -0.3340454     17.79549  
1 1 1 -6  8   22 o 381.178 7.0579  79138.45   2913.90  81891.24   5403.48  78009.66   3460.13  385.152 12.953  377.981 8.4519  7.170502       15.46658  
1 1 1 -6  8   23 o 247.602 4.9471  33314.68   1326.71  36531.23   3471.42  32764.50   1435.70  256.937 12.474  245.469 5.4000  11.46852       13.59280  
1 1 1 -6  8   24 f 113.882 3.1460  7036.24    388.041  6886.35    766.343  7087.92    449.994  112.177 6.3333  114.265 3.6360  -2.087730      7.302806  
1 1 1 -6  8   25 o 95.563  2.7153  4955.12    281.051  4691.12    503.590  5074.55    338.706  92.631  5.0384  96.669  3.2349  -4.038132      5.987478  
1 1 1 -6  8   26 o 126.251 3.1615  8663.96    432.315  10300.01   893.613  8164.04    493.967  136.994 6.0225  122.467 3.7240  14.52660       7.080876  
1 1 1 -6  8   27 o 145.445 3.4932  11525.71   550.300  10861.56   1164.62  11716.62   624.402  139.361 7.7462  146.527 3.9344  -7.166016      8.688131  
1 1 1 -6  8   28 o 50.376  4.5803  1403.21    247.181  1446.01    483.496  1388.07    287.607  49.650  9.3336  49.900  5.4080  -0.2501526     10.78717  
1 1 1 -6  8   29 o 5.9396  2.5503  -2.2103    29.477   0.5952     29.694   -191.5791  243.963  6.1025  2.5881  14.301  6.6262  -8.198168      7.113754  
1 1 1 -6  8   30 o 38.286  5.8407  836.792    234.532  612.901    456.771  916.951    273.311  32.266  10.953  39.866  6.5579  -7.599121      12.76581  
1 1 1 -6  8   31 o 93.748  3.4168  4826.71    346.936  5332.40    677.484  4646.97    403.917  96.597  6.5134  91.721  4.0659  4.876213       7.678293  
1 1 1 -6  8   32 o 13.893  6.3747  -130.1922  218.048  -285.9954  430.565  -76.4517   252.872  18.686  8.7073  15.882  7.1168  2.804668       11.24566  
1 1 1 -6  8   33 o 65.390  4.1544  2401.92    292.703  2811.30    556.846  2245.62    344.072  67.950  7.7022  62.642  5.1159  5.308270       9.246437  
1 1 1 -6  8   34 o 32.818  8.1188  717.283    286.999  0.0000     0.0000   717.283    286.999  ?       ?       32.818  8.1188  0.000000       8.118807  
1 1 1 -6  8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  9   1  o 98.033  2.5964  5205.78    275.687  4687.45    389.195  5727.78    390.569  93.011  3.8633  102.821 3.5071  -9.809303      5.217762  
1 1 1 -6  9   2  o 337.678 5.7864  61824.75   2116.33  60860.09   2443.31  64722.69   4234.83  334.963 6.7346  344.921 11.336  -9.958069      13.18528  
1 1 1 -6  9   3  o 229.902 4.2140  28641.51   1049.33  28839.75   1211.39  28045.73   2100.07  230.673 4.8486  227.279 8.5311  3.394135       9.812675  
1 1 1 -6  9   4  o 265.266 4.7457  38136.00   1363.49  38563.75   1574.24  36851.57   2727.93  266.717 5.4494  260.448 9.6704  6.269440       11.10010  
1 1 1 -6  9   5  o 604.657 20.227  200422.00  13246.58 0.0000     0.0000   200422.00  13246.58 ?       ?       604.657 20.227  0.000000       20.22668  
1 1 1 -6  9   6  o 182.825 3.5428  18106.85   701.542  17940.19   992.575  18273.21   991.687  181.953 5.0366  183.635 4.9860  -1.682159      7.087084  
1 1 1 -6  9   7  o 130.824 2.9153  9270.12    413.082  9927.88    585.073  8616.33    583.304  135.376 3.9902  126.114 4.2703  9.261536       5.844445  
1 1 1 -6  9   8  f 475.032 7.9090  122327.60  4069.24  117256.40  5754.67  127399.10  5754.89  464.827 11.430  484.554 10.965  -19.72757      15.83959  
1 1 1 -6  9   9  o 493.188 9.5669  131908.41  5110.41  119118.80  8851.98  138302.20  6258.77  467.906 17.467  504.847 11.446  -36.94058      20.88303  
1 1 1 -6  9   10 o 890.161 16.744  431057.50  16143.51 384554.69  27959.98 454312.41  19772.17 836.276 30.869  912.982 19.995  -76.70685      36.77869  
1 1 1 -6  9   11 o 910.183 17.235  450956.19  16990.75 0.0000     0.0000   450956.19  16990.75 ?       ?       910.183 17.235  0.000000       17.23509  
1 1 1 -6  9   12 o 920.375 30.617  467107.09  30521.18 0.0000     0.0000   467107.09  30521.18 ?       ?       920.375 30.617  0.000000       30.61725  
1 1 1 -6  9   13 o 163.556 4.0064  14492.14   709.727  14735.22   1217.70  14367.08   873.420  164.864 6.8193  162.833 4.9523  2.031418       8.427884  
1 1 1 -6  9   14 o 621.075 11.278  209672.00  7586.54  219653.09  21804.23 208297.30  8092.16  626.663 32.234  618.868 12.072  7.794556       34.42027  
1 1 1 -6  9   15 o 126.409 3.0443  8656.54    416.810  8236.27    805.680  8810.12    487.053  123.241 6.0358  127.518 3.5264  -4.276993      6.990480  
1 1 1 -6  9   16 o 111.919 2.8953  6786.08    350.964  5856.79    691.885  7108.04    407.247  103.718 6.1872  114.537 3.2828  -10.81889      7.004112  
1 1 1 -6  9   17 o 129.951 3.1567  9150.43    444.300  9810.45    874.983  8921.13    515.737  134.456 6.0083  128.298 3.7114  6.157959       7.062132  
1 1 1 -6  9   18 o 276.432 5.0797  41453.40   1520.88  38729.24   2830.48  42559.14   1803.31  266.574 9.8033  280.006 5.9461  -13.43170      11.46564  
1 1 1 -6  9   19 o 265.341 5.5590  38218.83   1597.61  38205.23   3919.16  38221.54   1749.57  263.348 13.788  265.287 6.0890  -1.939880      15.07282  
1 1 1 -6  9   20 o 148.397 3.3351  11937.34   536.047  11543.04   1061.11  12072.45   621.132  145.712 6.7235  149.211 3.8434  -3.499222      7.744475  
1 1 1 -6  9   21 o 158.520 3.4402  13624.16   590.663  13984.69   1174.50  13502.10   683.368  160.340 6.7630  157.777 3.9989  2.563354       7.856810  
1 1 1 -6  9   22 o 164.602 3.4970  14693.53   623.443  12998.29   1228.75  15281.25   723.486  154.441 7.3456  167.826 3.9802  -13.38498      8.354644  
1 1 1 -6  9   23 o 122.739 3.2369  8170.52    430.317  8138.35    847.092  8181.71    499.579  122.064 6.4299  122.791 3.7563  -0.7271652     7.446748  
1 1 1 -6  9   24 o 119.766 3.1628  7782.41    410.275  7394.06    807.514  7917.54    476.336  116.226 6.4399  120.765 3.6417  -4.538765      7.398243  
1 1 1 -6  9   25 o 72.356  3.2685  2843.22    256.148  2993.03    498.263  2789.41    298.630  73.695  6.3031  71.524  3.8693  2.170799       7.395934  
1 1 1 -6  9   26 o 61.436  2.5483  2048.99    169.571  2554.40    521.680  1989.29    179.307  67.658  7.2309  60.523  2.7353  7.134678       7.731006  
1 1 1 -6  9   27 o 119.746 3.3240  7808.37    431.111  7908.59    849.113  7773.56    500.405  119.381 6.5924  119.362 3.8707  0.1940155E-01  7.644767  
1 1 1 -6  9   28 o 28.534  7.2096  472.498    222.904  232.982    436.491  556.996    259.258  25.910  10.333  30.905  7.7572  -4.994698      12.92036  
1 1 1 -6  9   29 o 41.716  2.0338  945.498    91.895   955.200    97.601   869.733    272.751  41.866  2.1597  38.895  6.7173  2.970909       7.055926  
1 1 1 -6  9   30 o 40.669  5.6714  939.772    243.022  786.704    463.285  997.880    285.448  35.705  10.944  41.623  6.5481  -5.917435      12.75310  
1 1 1 -6  9   31 o 39.911  5.7475  913.123    241.290  1100.09    471.228  846.683    280.909  41.633  10.463  37.876  7.1086  3.757706       12.64902  
1 1 1 -6  9   32 o 49.968  4.7822  1408.67    255.658  1326.03    499.476  1438.00    297.597  45.333  10.394  50.139  5.5744  -4.805363      11.79465  
1 1 1 -6  9   33 o 58.563  4.4408  1939.04    279.581  1839.87    529.605  1977.35    329.189  53.297  9.5239  58.669  5.2354  -5.371834      10.86804  
1 1 1 -6  9   34 o 24.549  8.5093  394.883    276.099  0.0000     0.0000   394.883    276.099  ?       ?       24.549  8.5093  0.000000       8.509274  
1 1 1 -6  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  10  3  o 178.913 3.5792  17342.71   693.575  17779.23   800.619  16029.85   1388.47  181.139 4.0808  171.881 7.4583  9.257950       8.501677  
1 1 1 -6  10  4  o 209.029 3.8827  23673.80   879.051  22173.37   1242.72  25176.38   1243.61  202.240 5.6733  215.514 5.3277  -13.27368      7.782722  
1 1 1 -6  10  5  o 72.549  2.3919  2850.81    187.952  2771.62    266.302  2929.42    265.309  71.527  3.4374  73.536  3.3310  -2.008812      4.786611  
1 1 1 -6  10  6  o 66.641  2.3571  2405.37    170.133  2430.73    242.796  2380.91    238.471  66.987  3.3464  66.213  3.3359  0.7739258      4.725142  
1 1 1 -6  10  7  o 111.494 2.7363  6732.90    330.430  6750.64    467.821  6715.25    466.777  111.633 3.8692  111.340 3.8707  0.2930145      5.472909  
1 1 1 -6  10  8  o 823.275 27.272  371369.91  24318.50 371369.91  24318.50 0.0000     0.0000   823.275 27.272  ?       ?       0.000000       27.27228  
1 1 1 -6  10  9  o 162.956 3.3807  14383.23   596.690  13850.63   843.839  14915.84   843.855  159.895 4.8725  165.932 4.6953  -6.036819      6.766665  
1 1 1 -6  10  10 f 807.446 18.812  355102.09  16451.55 357755.81  23266.05 352448.31  23265.97 808.162 26.580  802.075 26.782  6.086365       37.73256  
1 1 1 -6  10  11 o 698.011 13.315  264675.00  10066.59 266400.81  17435.27 263812.00  12329.21 698.124 23.058  696.325 16.348  1.799011       28.26525  
1 1 1 -6  10  12 o 384.735 9.2871  80297.12   3870.01  0.0000     0.0000   80297.12   3870.01  ?       ?       384.735 9.2871  0.000000       9.287111  
1 1 1 -6  10  13 o 348.515 6.9703  65853.32   2631.13  69368.04   4553.30  64091.38   3223.87  357.319 11.765  343.715 8.6598  13.60437       14.60865  
1 1 1 -6  10  14 o 466.392 7.8546  118015.60  3967.78  114107.30  7933.38  119319.40  4582.01  457.283 16.018  468.824 9.0235  -11.54083      18.38461  
1 1 1 -6  10  15 o 283.029 5.3603  43427.52   1643.19  42016.93   4419.20  43653.83   1770.10  277.033 14.781  283.742 5.7598  -6.708466      15.86388  
1 1 1 -6  10  16 o 232.369 4.3215  29267.08   1087.63  30744.33   2170.11  28771.54   1256.88  237.868 8.4232  230.357 5.0376  7.510864       9.814665  
1 1 1 -6  10  17 o 349.660 6.5116  66371.63   2466.07  65931.16   4575.07  66552.02   2927.81  347.455 12.157  349.962 7.7242  -2.507202      14.40336  
1 1 1 -6  10  18 o 451.759 8.1751  111018.80  4000.11  105935.40  11307.46 111746.00  4276.66  433.260 24.193  453.098 8.7145  -19.83798      25.71436  
1 1 1 -6  10  19 f 234.432 4.3677  29806.81   1109.03  29733.69   2212.88  29831.33   1281.60  233.626 8.7451  234.471 5.0465  -0.8441315     10.09674  
1 1 1 -6  10  20 o 81.052  3.0702  3560.61    269.529  3565.78    530.105  3558.80    313.008  80.786  6.1034  81.020  3.5669  -0.2342987     7.069279  
1 1 1 -6  10  21 o 130.635 3.1871  9251.00    450.948  8946.12    883.520  9358.40    524.395  128.274 6.3593  131.369 3.6855  -3.094833      7.350066  
1 1 1 -6  10  22 o 217.423 4.1279  25651.95   972.078  26499.37   1939.28  25367.57   1123.40  220.354 8.1255  216.139 4.7988  4.215164       9.436725  
1 1 1 -6  10  23 o 94.699  3.2333  4863.86    331.634  6119.57    639.303  4401.56    387.908  105.919 5.5925  90.052  3.9771  15.86717       6.862464  
1 1 1 -6  10  24 o 131.376 3.3150  9366.35    471.703  9999.06    977.219  9174.15    538.606  135.314 6.6677  129.976 3.8259  5.338135       7.687428  
1 1 1 -6  10  25 o 249.486 4.6299  33901.73   1251.08  32856.72   2496.00  34252.37   1445.81  243.406 9.4677  250.540 5.3280  -7.134537      10.86392  
1 1 1 -6  10  26 f 137.159 3.4421  10233.79   511.354  12210.38   1063.39  9639.24    583.211  148.934 6.5921  133.001 4.0486  15.93320       7.736075  
1 1 1 -6  10  27 o 95.785  3.2223  4994.69    334.297  5319.48    676.571  4889.79    384.514  97.897  6.4162  94.686  3.7494  3.211662       7.431414  
1 1 1 -6  10  28 o 88.894  3.3956  4310.62    326.930  4122.34    640.750  4376.88    380.134  85.688  6.9642  89.467  3.9229  -3.778999      7.993096  
1 1 1 -6  10  29 o 38.466  2.0530  806.219    85.223   799.334    89.815   868.417    269.964  38.286  2.1749  38.883  6.6491  -0.5970192     6.995778  
1 1 1 -6  10  30 o 40.908  5.6685  950.802    244.408  822.272    466.484  999.435    286.946  36.411  10.944  41.637  6.5815  -5.226238      12.77026  
1 1 1 -6  10  31 o 67.944  3.8780  2553.72    284.201  2708.54    551.762  2497.81    331.568  68.016  7.6208  66.907  4.6034  1.109344       8.903230  
1 1 1 -6  10  32 o 40.919  5.6296  963.849    242.895  676.761    473.971  1066.10    282.862  32.599  11.156  42.768  6.2946  -10.16896      12.80975  
1 1 1 -6  10  33 o 22.018  7.8875  273.073    238.682  206.997    468.229  296.271    277.433  24.246  10.280  23.027  8.4671  1.219189       13.31779  
1 1 1 -6  10  34 o 19.153  7.9454  143.829    270.559  0.0000     0.0000   143.829    270.559  ?       ?       19.153  7.9454  0.000000       7.945446  
1 1 1 -6  10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  2  o 66.871  2.3694  2422.18    171.609  2391.83    197.137  2517.12    348.688  66.449  2.7391  67.983  4.7657  -1.533661      5.496749  
1 1 1 -6  11  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  5  o 288.945 5.0952  45245.53   1594.59  44996.30   2254.89  45494.85   2255.29  288.046 7.2276  289.639 7.1891  -1.593506      10.19417  
1 1 1 -6  11  6  o 313.442 5.4727  53240.15   1857.94  52989.38   2627.56  53490.91   2627.49  312.599 7.7606  314.077 7.7238  -1.477783      10.94917  
1 1 1 -6  11  7  o 569.679 10.911  176123.50  6732.40  172569.80  8245.64  183230.00  11660.38 563.586 13.508  579.901 18.565  -16.31531      22.95903  
1 1 1 -6  11  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  9  o 611.234 10.021  202640.30  6634.08  204334.30  9382.28  200946.50  9381.75  613.316 14.124  608.195 14.242  5.121155       20.05788  
1 1 1 -6  11  10 o 299.039 5.2339  48449.54   1695.21  49160.10   2397.71  47739.37   2397.07  301.158 7.3507  296.771 7.4574  4.387482       10.47123  
1 1 1 -6  11  11 o 652.642 12.262  231284.00  8667.73  204222.50  15010.30 244821.91  10616.70 611.312 22.670  671.098 14.606  -59.78540      26.96808  
1 1 1 -6  11  12 o 327.488 8.0473  58155.59   2854.43  0.0000     0.0000   58155.59   2854.43  ?       ?       327.488 8.0473  0.000000       8.047346  
1 1 1 -6  11  13 o 443.421 8.6044  106669.60  4132.46  100045.60  7154.78  109985.60  5062.22  428.595 15.413  450.078 10.384  -21.48270      18.58461  
1 1 1 -6  11  14 o 70.912  2.5396  2723.72    195.053  3088.21    440.419  2634.79    217.552  75.286  5.4377  69.743  2.8800  5.543098       6.153285  
1 1 1 -6  11  15 o 227.467 4.4360  28041.64   1092.91  25755.59   2812.02  28448.40   1186.17  217.160 12.002  229.098 4.7803  -11.93741      12.91905  
1 1 1 -6  11  16 o 295.686 5.2580  47410.91   1683.91  48855.32   3364.40  46928.14   1945.07  299.582 10.369  294.109 6.1060  5.473785       12.03295  
1 1 1 -6  11  17 o 542.339 9.0617  160042.30  5322.96  151485.80  10643.54 162896.09  6146.88  523.599 18.768  546.752 10.380  -23.15271      21.44713  
1 1 1 -6  11  18 o 383.406 6.9605  79870.01   2890.48  79726.75   5359.83  79928.76   3432.38  381.521 12.971  383.289 8.2680  -1.768799      15.38174  
1 1 1 -6  11  19 o 59.313  3.3464  1912.95    214.105  1969.78    418.570  1892.81    249.170  59.854  6.5643  58.954  3.9246  0.8998451      7.648079  
1 1 1 -6  11  20 o 324.417 6.1509  57184.60   2161.27  52327.05   4016.01  59165.01   2564.27  308.908 12.003  329.790 7.1789  -20.88248      13.98616  
1 1 1 -6  11  21 o 245.846 4.5499  32798.64   1211.54  33377.25   2419.69  32605.05   1399.61  247.264 9.0350  245.034 5.2737  2.229828       10.46150  
1 1 1 -6  11  22 o 342.021 5.9766  63617.02   2214.01  66380.22   4426.03  62694.85   2556.90  347.280 11.767  339.280 6.9580  7.999420       13.67025  
1 1 1 -6  11  23 o 113.987 3.0989  7046.19    382.587  7004.88    723.143  7062.25    450.854  113.292 5.9138  114.086 3.6487  -0.7940216     6.948758  
1 1 1 -6  11  24 o 25.277  6.8265  360.778    191.286  427.422    355.870  333.699    226.842  28.734  9.6679  24.737  7.6704  3.997412       12.34114  
1 1 1 -6  11  25 o 65.321  3.4394  2324.51    242.475  2386.00    469.808  2302.19    283.094  65.647  6.7014  64.932  4.0455  0.7158432      7.827795  
1 1 1 -6  11  26 o 220.702 4.3963  26574.40   1050.90  30413.41   1987.81  25085.18   1238.07  234.235 7.8352  214.054 5.3401  20.18095       9.481979  
1 1 1 -6  11  27 o 84.093  2.9644  3846.84    270.004  4166.02    613.800  3770.25    300.656  86.514  6.6002  83.202  3.3363  3.312561       7.395544  
1 1 1 -6  11  28 o 107.001 3.3180  6243.90    384.539  6385.23    755.993  6194.56    446.635  106.944 6.5583  106.443 3.8740  0.5008621      7.617065  
1 1 1 -6  11  29 o 57.056  4.2669  1797.93    261.779  1625.53    497.879  1863.81    307.752  52.485  9.0874  57.905  4.9547  -5.420433      10.35038  
1 1 1 -6  11  30 o 107.963 3.3975  6384.72    397.282  5796.49    764.541  6602.30    464.990  100.790 7.0478  109.582 3.9177  -8.792236      8.063500  
1 1 1 -6  11  31 o 91.253  3.0512  4561.31    301.569  4374.64    466.004  4695.82    395.567  88.465  4.8824  92.232  3.9597  -3.766899      6.286276  
1 1 1 -6  11  32 o 21.958  7.7236  263.291    227.864  753.210    457.924  102.061    262.696  34.058  10.943  19.092  7.8664  14.96623       13.47704  
1 1 1 -6  11  33 o 47.251  5.2990  1290.53    266.519  1050.50    527.165  1372.95    308.906  38.212  11.667  48.317  6.0344  -10.10520      13.13538  
1 1 1 -6  11  34 o 44.419  6.4822  1216.26    302.674  0.0000     0.0000   1216.26    302.674  ?       ?       44.419  6.4822  0.000000       6.482232  
1 1 1 -6  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  12  1  o 204.867 3.9796  22741.74   883.037  22993.69   1019.07  21982.48   1769.07  205.981 4.5678  201.245 8.1161  4.736435       9.313232  
1 1 1 -6  12  2  o 624.944 20.936  214667.91  14171.48 0.0000     0.0000   214667.91  14171.48 ?       ?       624.944 20.936  0.000000       20.93649  
1 1 1 -6  12  3  o 416.169 7.1601  93952.82   3227.44  93490.70   4564.33  94414.92   4564.25  414.791 10.160  416.843 10.109  -2.052185      14.33243  
1 1 1 -6  12  4  o 393.989 6.6747  84175.23   2848.29  81866.52   4027.87  86484.44   4028.32  388.276 9.5778  399.106 9.3189  -10.82965      13.36324  
1 1 1 -6  12  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  12  6  o 576.009 10.993  180127.30  6858.37  179552.41  8399.54  181277.20  11879.65 574.727 13.493  576.417 19.028  -1.689270      23.32691  
1 1 1 -6  12  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  12  8  o 764.688 25.329  319780.91  20978.15 0.0000     0.0000   319780.91  20978.15 ?       ?       764.688 25.329  0.000000       25.32870  
1 1 1 -6  12  9  o 273.094 4.8746  40403.85   1441.85  39964.54   2039.24  40843.02   2038.92  271.554 6.9333  274.524 6.8572  -2.970581      9.751556  
1 1 1 -6  12  10 o 501.241 8.3507  136217.41  4533.58  136047.30  6411.67  136387.59  6411.22  500.639 11.824  501.266 11.809  -0.6273499     16.71107  
1 1 1 -6  12  11 o 185.797 4.2090  18700.65   847.003  17082.48   1458.81  19523.56   1040.31  177.513 7.5875  189.828 5.0598  -12.31433      9.119854  
1 1 1 -6  12  12 o 588.025 15.913  188212.41  10135.17 0.0000     0.0000   188212.41  10135.17 ?       ?       588.025 15.913  0.000000       15.91346  
1 1 1 -6  12  13 o 629.972 13.307  215856.30  9079.41  206896.91  21943.76 217706.91  9973.14  608.982 33.396  632.397 14.560  -23.41449      36.43220  
1 1 1 -6  12  14 o 208.141 3.9364  23472.75   887.413  22470.61   1767.84  23810.34   1026.05  203.496 8.0208  209.616 4.5193  -6.120819      9.206372  
1 1 1 -6  12  15 o 175.992 3.7997  16783.00   724.294  17146.13   1731.06  16705.94   797.454  177.426 9.0378  175.577 4.1934  1.849304       9.963287  
1 1 1 -6  12  16 o 276.719 4.9841  41518.95   1493.81  42043.40   2980.85  41343.07   1726.21  277.964 9.9011  276.075 5.7729  1.888794       11.46116  
1 1 1 -6  12  17 o 313.146 6.3051  53227.98   2138.50  51972.84   5360.91  53465.50   2332.09  307.050 16.177  313.777 6.8620  -6.727020      17.57208  
1 1 1 -6  12  18 o 350.355 6.0652  66642.76   2301.57  65866.97   4599.55  66901.89   2658.31  346.970 12.239  350.890 6.9946  -3.920074      14.09692  
1 1 1 -6  12  19 o 242.325 5.0640  31864.52   1329.11  33522.63   3215.68  31522.89   1459.62  247.407 12.000  240.969 5.5925  6.437927       13.23942  
1 1 1 -6  12  20 o 265.044 4.7981  38120.00   1377.38  38947.79   2752.16  37843.38   1590.97  267.118 9.5126  263.989 5.5642  3.129486       11.02046  
1 1 1 -6  12  21 f 128.332 3.2144  8928.05    446.791  9449.10    876.649  8745.21    519.296  131.844 6.1390  126.986 3.7756  4.857986       7.207082  
1 1 1 -6  12  22 o 181.505 4.2985  17879.96   845.044  20892.41   1928.32  17163.93   940.124  195.455 9.1088  177.777 4.8825  17.67795       10.33486  
1 1 1 -6  12  23 o 262.213 4.8017  37360.96   1363.71  39112.92   2724.09  36775.06   1575.32  267.010 9.4194  259.992 5.5942  7.017639       10.95539  
1 1 1 -6  12  24 o 89.195  2.8286  4315.17    273.259  3270.93    585.192  4606.36    309.019  77.022  7.0945  92.141  3.0964  -15.11851      7.740775  
1 1 1 -6  12  25 o 216.526 4.4210  25527.57   1036.81  25391.43   2625.24  25552.73   1128.55  212.427 11.452  216.525 4.8122  -4.097763      12.42232  
1 1 1 -6  12  26 f 114.134 3.1687  7082.22    391.714  7862.96    799.518  6835.61    449.338  119.451 6.2010  112.050 3.7025  7.400848       7.222272  
1 1 1 -6  12  27 o 67.669  2.8073  2489.90    205.751  2327.59    539.889  2517.48    222.546  64.080  7.9494  68.021  3.0207  -3.940140      8.504019  
1 1 1 -6  12  28 o 77.965  2.9005  3309.63    244.930  3109.94    337.322  3532.31    356.217  75.253  4.1547  80.225  4.1134  -4.972359      5.846462  
1 1 1 -6  12  29 o 53.749  4.4729  1599.95    258.030  1634.64    494.263  1586.95    302.527  52.668  8.9869  53.290  5.3123  -0.6212883     10.43956  
1 1 1 -6  12  30 o 87.970  3.4368  4240.46    327.460  3481.80    641.214  4508.12    380.871  77.580  7.7342  90.558  3.8831  -12.97807      8.654241  
1 1 1 -6  12  31 o 49.816  1.9353  1350.17    104.423  1299.40    153.891  1393.50    142.158  48.638  2.9350  50.447  2.6107  -1.809044      3.928077  
1 1 1 -6  12  32 o 26.784  1.3072  389.483    37.921   -243.2996  471.168  393.609    38.045   20.013  9.2504  26.926  1.3046  -6.912033      9.341977  
1 1 1 -6  12  33 o 52.658  2.3995  1519.42    136.850  1046.73    531.100  1553.04    141.633  38.008  11.729  53.222  2.4570  -15.21420      11.98319  
1 1 1 -6  12  34 o 54.437  2.3952  1632.29    141.224  0.0000     0.0000   1632.29    141.224  ?       ?       54.437  2.3952  0.000000       2.395193  
1 1 1 -6  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  13  1  o 182.686 3.5935  18081.71   711.042  18155.23   820.365  17859.67   1425.61  183.044 4.1379  181.439 7.2544  1.604843       8.351541  
1 1 1 -6  13  2  o 124.762 2.7855  8431.67    376.408  8187.91    433.782  9174.67    757.321  122.939 3.2577  130.097 5.3746  -7.157829      6.284787  
1 1 1 -6  13  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  13  4  f 121.653 2.8737  8016.57    378.651  7454.10    535.064  8580.85    535.923  117.292 4.2118  125.849 3.9317  -8.557030      5.761727  
1 1 1 -6  13  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  13  6  o 457.941 7.7198  113699.80  3829.00  111085.20  5414.92  116314.60  5415.14  452.371 11.052  462.921 10.800  -10.54990      15.45263  
1 1 1 -6  13  7  o 240.884 4.4077  31433.67   1149.99  30355.64   1626.25  32511.92   1626.42  236.678 6.3440  244.945 6.1305  -8.267197      8.822058  
1 1 1 -6  13  8  o 720.059 13.743  281593.59  10718.22 277436.31  13127.28 289907.41  18563.92 714.187 16.970  728.600 23.524  -14.41235      29.00642  
1 1 1 -6  13  9  o 595.987 9.8652  192651.20  6368.16  193909.80  9006.19  191392.80  9005.69  597.484 13.917  593.581 14.008  3.902100       19.74582  
1 1 1 -6  13  10 o 291.968 5.1486  46185.05   1628.16  44973.37   2302.68  47396.48   2302.44  288.045 7.3808  295.710 7.1887  -7.664856      10.30311  
1 1 1 -6  13  11 o 99.868  3.2248  5402.30    348.817  5400.28    586.964  5403.40    433.710  99.683  5.4572  99.873  4.0094  -0.1902618     6.771748  
1 1 1 -6  13  12 o 572.401 13.469  178097.80  8350.30  0.0000     0.0000   178097.80  8350.30  ?       ?       572.401 13.469  0.000000       13.46890  
1 1 1 -6  13  13 o 229.356 4.9095  28505.31   1219.60  26541.14   2106.18  29496.16   1495.92  221.165 8.7924  233.276 5.9206  -12.11113      10.60004  
1 1 1 -6  13  14 o 250.401 4.5076  33977.40   1222.50  33642.32   2441.17  34089.57   1412.36  248.920 9.0546  250.787 5.1996  -1.866837      10.44130  
1 1 1 -6  13  15 o 486.788 8.1781  128668.30  4311.82  121701.80  8621.25  130992.20  4979.32  471.392 16.886  490.961 9.3638  -19.56955      19.30820  
1 1 1 -6  13  16 o 308.826 5.6580  51732.13   1892.53  52504.95   3520.17  51417.94   2244.51  310.525 10.466  307.784 6.7329  2.740448       12.44500  
1 1 1 -6  13  17 o 120.706 3.0938  7894.80    404.474  8265.29    821.698  7776.32    464.667  123.403 6.1478  119.785 3.5815  3.617897       7.114935  
1 1 1 -6  13  18 o 258.264 5.0577  36185.93   1414.77  38088.95   2645.65  35423.80   1674.27  264.421 9.2378  255.432 6.0517  8.988586       11.04354  
1 1 1 -6  13  19 o 115.976 3.0594  7289.47    384.309  7670.92    761.997  7159.35    445.059  118.852 5.9194  114.921 3.5756  3.930954       6.915509  
1 1 1 -6  13  20 o 152.166 3.3744  12551.96   556.144  13390.33   1107.69  12269.40   643.072  156.950 6.5161  150.416 3.9473  6.534866       7.618395  
1 1 1 -6  13  21 o 124.086 3.1646  8346.81    425.309  9230.77    838.027  8040.14    493.601  130.326 5.9369  121.760 3.7428  8.565636       7.018187  
1 1 1 -6  13  22 o 118.562 3.1384  7621.56    403.023  8107.50    796.972  7454.60    467.158  122.091 6.0268  117.231 3.6792  4.860214       7.061109  
1 1 1 -6  13  23 o 46.956  4.2235  1206.82    212.499  1463.11    413.709  1114.96    247.667  51.199  7.6987  44.991  5.1767  6.207653       9.277313  
1 1 1 -6  13  24 o 156.302 3.6153  13264.67   612.046  13707.91   1385.81  13157.27   682.183  157.861 8.1328  155.617 4.0474  2.244659       9.084217  
1 1 1 -6  13  25 o 42.913  4.4045  1013.11    201.816  879.132    388.361  1062.67    236.215  39.055  9.3121  43.853  5.0664  -4.797874      10.60111  
1 1 1 -6  13  26 o 81.693  3.1996  3628.86    283.111  4737.03    606.541  3320.18    320.123  92.660  6.0773  78.078  3.7854  14.58179       7.159810  
1 1 1 -6  13  27 o 141.713 3.5126  10945.86   539.143  11828.60   1043.15  10624.12   629.780  146.141 6.5903  139.432 4.1702  6.709381       7.798876  
1 1 1 -6  13  28 o 97.741  3.1008  5205.92    328.263  5096.69    530.129  5273.85    418.051  96.069  5.1132  98.191  3.9308  -2.122131      6.449526  
1 1 1 -6  13  29 o 68.575  3.7629  2583.19    278.420  2199.95    545.977  2717.88    323.667  61.537  8.4118  70.202  4.2771  -8.664955      9.436767  
1 1 1 -6  13  30 o 49.748  4.6898  1381.21    249.712  1306.41    488.119  1407.72    290.621  46.089  10.060  49.970  5.4584  -3.880722      11.44587  
1 1 1 -6  13  31 o ?       ?       -188.1272  38.886   0.0000     0.0000   -188.1272  38.886   ?       ?       ?       ?       0.000000       ?         
1 1 1 -6  13  32 o 33.039  2.1004  597.404    74.771   1143.14    490.715  584.432    75.654   41.687  10.786  32.668  2.1501  9.018028       10.99825  
1 1 1 -6  13  33 o ?       ?       -285.4950  29.321   262.384    468.070  -287.6533  29.378   24.831  10.388  ?       ?       0.000000       10.38818  
1 1 1 -6  13  34 o 46.863  2.8247  1221.86    142.701  0.0000     0.0000   1221.86    142.701  ?       ?       46.863  2.8247  0.000000       2.824652  
1 1 1 -6  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  1  o 558.294 18.729  170714.20  11325.21 170714.20  11325.21 0.0000     0.0000   558.294 18.729  ?       ?       0.000000       18.72893  
1 1 1 -6  14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  5  o 306.106 5.3454  50775.78   1772.26  50748.09   2506.09  50803.48   2506.60  305.926 7.5633  306.093 7.5607  -0.1670532     10.69425  
1 1 1 -6  14  6  o 78.489  2.4750  3336.65    210.406  3502.67    297.810  3171.19    297.308  80.414  3.4193  76.514  3.5875  3.900452       4.956002  
1 1 1 -6  14  7  o 659.139 12.541  235872.50  8953.18  237656.50  10965.27 232304.09  15507.65 661.224 15.311  652.462 21.944  8.761719       26.75767  
1 1 1 -6  14  8  o 284.190 5.0434  43754.82   1552.40  43393.82   2195.47  44115.79   2195.38  282.960 7.1636  285.306 7.1044  -2.345978      10.08910  
1 1 1 -6  14  9  o 572.137 9.4909  177522.91  5881.34  182703.80  8317.86  172343.00  8317.08  580.038 13.240  563.305 13.632  16.73291       19.00327  
1 1 1 -6  14  10 o 507.290 8.4737  139533.00  4655.88  138560.00  6584.77  140505.80  6584.06  505.209 12.034  508.753 11.949  -3.543732      16.95815  
1 1 1 -6  14  11 o 792.702 15.033  341716.41  12906.62 327138.00  22353.74 349006.69  15807.72 772.153 26.729  800.330 18.236  -28.17743      32.35696  
1 1 1 -6  14  12 o 784.274 18.310  335447.31  15553.84 0.0000     0.0000   335447.31  15553.84 ?       ?       784.274 18.310  0.000000       18.31046  
1 1 1 -6  14  13 o 445.796 8.6541  107834.40  4178.57  111791.00  7235.91  105854.90  5118.24  453.064 14.746  441.458 10.704  11.60590       18.22133  
1 1 1 -6  14  14 o 313.065 5.9207  53137.81   2007.62  56753.50   5487.28  52579.02   2157.18  322.436 15.712  311.385 6.3961  11.05081       16.96439  
1 1 1 -6  14  15 o 159.191 3.3844  13730.36   583.549  14456.97   1166.83  13488.01   673.876  163.243 6.5994  157.767 3.9436  5.475571       7.687903  
1 1 1 -6  14  16 o 544.623 9.7543  161409.41  5753.87  174026.50  10638.70 156192.91  6840.69  562.529 17.461  535.152 11.802  27.37708       21.07554  
1 1 1 -6  14  17 o 471.276 9.1986  120887.50  4695.37  123350.40  8131.41  119655.50  5751.05  473.714 15.848  468.258 11.339  5.456726       19.48712  
1 1 1 -6  14  18 o 133.740 3.2390  9693.59    469.192  10842.98   1005.40  9373.58    530.502  141.286 6.5701  131.499 3.7247  9.787003       7.552452  
1 1 1 -6  14  19 o 177.200 3.8142  17024.26   732.037  18429.43   1384.80  16479.31   862.381  184.123 6.9440  174.297 4.5681  9.825485       8.311846  
1 1 1 -6  14  20 o 104.645 2.8633  5934.62    324.533  6147.90    662.607  5867.32    372.238  106.234 5.7804  104.037 3.3034  2.196365       6.657772  
1 1 1 -6  14  21 o 117.930 3.1560  7539.21    403.123  8488.82    788.280  7202.91    469.105  124.985 5.8231  115.245 3.7582  9.739746       6.930517  
1 1 1 -6  14  22 o 133.673 3.3356  9689.66    482.929  10445.29   1014.62  9468.33    549.119  138.499 6.7637  132.109 3.8376  6.390396       7.776590  
1 1 1 -6  14  23 o 53.239  1.8414  1535.75    106.184  1281.06    158.808  1741.68    142.798  48.508  3.0380  56.687  2.3258  -8.179165      3.826016  
1 1 1 -6  14  24 o 41.453  4.6840  946.473    206.611  1176.85    388.789  855.806    243.902  45.646  8.1637  39.181  5.9330  6.464733       10.09189  
1 1 1 -6  14  25 o 183.395 3.7271  18287.22   740.346  18144.11   1474.20  18335.49   856.138  181.580 7.4958  183.515 4.3073  -1.934830      8.645239  
1 1 1 -6  14  26 o 93.809  2.8654  4781.55    291.139  5745.54    657.661  4546.59    324.687  102.100 5.9731  91.428  3.2788  10.67221       6.813849  
1 1 1 -6  14  27 o 52.123  1.8515  1473.94    104.524  1546.41    154.211  1412.35    142.162  53.269  2.6814  50.913  2.5865  2.355961       3.725572  
1 1 1 -6  14  28 o 102.738 3.3181  5757.51    369.228  5631.57    726.405  5801.38    428.744  100.287 6.7265  103.002 3.8431  -2.714630      7.746921  
1 1 1 -6  14  29 o 80.284  3.4967  3525.31    304.058  3337.47    595.668  3591.51    353.594  76.575  7.2692  80.902  4.0353  -4.327187      8.314113  
1 1 1 -6  14  30 o 67.899  2.7427  2515.84    201.705  3398.23    558.877  2383.69    216.282  77.191  6.7526  66.038  3.0238  11.15276       7.398737  
1 1 1 -6  14  31 o 45.018  2.3856  1108.48    115.904  1071.09    126.706  1300.11    286.871  44.197  2.6593  47.745  5.6574  -3.548271      6.251236  
1 1 1 -6  14  32 o 16.741  7.1169  33.780     225.434  -204.9358  462.072  108.349    258.255  20.123  9.2504  19.074  7.8223  1.049576       12.11432  
1 1 1 -6  14  33 o 44.434  1.9957  1078.38    96.050   1030.61    507.645  1080.15    97.817   37.764  11.431  44.464  2.0311  -6.700356      11.61018  
1 1 1 -6  14  34 o 21.365  1.6374  250.626    37.603   0.0000     0.0000   250.626    37.603   ?       ?       21.365  1.6374  0.000000       1.637432  
1 1 1 -6  14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  1  o 228.311 4.1815  28243.82   1034.01  28175.14   1193.28  28450.83   2071.64  228.013 4.8318  228.964 8.3536  -0.9515228     9.650394  
1 1 1 -6  15  2  o 362.945 8.8008  71500.75   3459.67  71338.98   4892.74  71662.52   4892.69  362.119 12.475  362.943 12.446  -0.8240051     17.62180  
1 1 1 -6  15  3  o 606.618 20.274  201520.20  13320.46 201520.20  13320.46 0.0000     0.0000   606.618 20.274  ?       ?       0.000000       20.27375  
1 1 1 -6  15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  8  o 719.893 13.708  281455.00  10688.27 271169.81  13090.43 302025.41  18512.56 706.057 17.118  743.830 22.979  -37.77246      28.65359  
1 1 1 -6  15  9  o 812.890 19.003  359902.31  16731.06 345082.59  23662.07 374720.00  23660.52 793.497 27.532  827.264 26.406  -33.76672      38.14854  
1 1 1 -6  15  10 o 462.194 7.7430  115805.70  3876.16  119077.70  5482.32  112535.10  5481.12  468.452 10.805  455.375 11.113  13.07724       15.49995  
1 1 1 -6  15  11 o 297.684 6.0210  48022.70   1941.31  46554.82   3358.55  48759.20   2379.00  292.891 10.587  299.909 7.3238  -7.017944      12.87334  
1 1 1 -6  15  12 o 664.565 15.563  240419.30  11201.91 0.0000     0.0000   240419.30  11201.91 ?       ?       664.565 15.563  0.000000       15.56270  
1 1 1 -6  15  13 o 294.180 6.8181  46925.18   2172.42  53479.69   4975.92  45381.63   2414.71  313.348 14.661  289.251 7.7076  24.09750       16.56394  
1 1 1 -6  15  14 o 289.165 5.1499  45322.74   1612.92  47035.76   3225.91  44751.76   1862.43  294.208 10.123  287.294 5.9853  6.914032       11.76041  
1 1 1 -6  15  15 o 241.163 4.4445  31522.36   1160.91  30589.20   2320.86  31833.76   1340.69  237.260 9.0314  242.319 5.1083  -5.058899      10.37595  
1 1 1 -6  15  16 o 418.266 7.1086  94991.28   3220.39  90968.19   6439.73  96332.90   3718.79  407.605 14.587  421.036 8.1548  -13.43076      16.71146  
1 1 1 -6  15  17 o 182.002 3.6553  17953.17   720.551  19061.52   1440.54  17583.33   832.129  187.326 7.1000  180.091 4.2661  7.235062       8.283060  
1 1 1 -6  15  18 o 174.174 3.5224  16443.30   664.494  16479.60   1321.72  16431.03   768.705  174.140 7.0076  174.083 4.0769  0.5712891E-01  8.107287  
1 1 1 -6  15  19 o 164.328 3.6282  14639.28   645.766  14452.96   1508.37  14681.09   714.564  162.662 8.5920  164.543 4.0095  -1.881195      9.481478  
1 1 1 -6  15  20 o 103.356 2.8572  5789.34    319.855  5903.11    580.077  5739.63    383.409  104.282 5.1358  102.895 3.4403  1.387283       6.181596  
1 1 1 -6  15  21 o 130.851 3.2243  9282.31    456.962  9241.85    895.134  9296.57    531.425  130.366 6.3395  130.927 3.7475  -0.5606079     7.364294  
1 1 1 -6  15  22 o 49.291  2.4557  1316.74    131.105  1762.07    424.538  1269.80    137.842  56.432  7.1031  48.330  2.6433  8.102524       7.578986  
1 1 1 -6  15  23 o 299.732 5.3266  48864.09   1729.21  51758.72   3452.23  47894.59   1997.92  306.624 10.395  296.510 6.2211  10.11392       12.11438  
1 1 1 -6  15  24 o 67.824  3.3358  2496.97    245.052  2524.42    477.103  2487.13    285.603  67.658  6.5944  67.548  3.9206  0.1099548      7.671865  
1 1 1 -6  15  25 o 112.261 3.1757  6845.16    386.131  7487.43    752.612  6615.70    449.850  116.827 5.9677  110.298 3.7656  6.529510       7.056418  
1 1 1 -6  15  26 o 44.867  1.6843  1091.44    81.850   1124.39    120.201  1062.96    111.765  45.444  2.4512  44.192  2.3434  1.251965       3.391151  
1 1 1 -6  15  27 o 85.024  2.9583  3933.29    272.429  3955.81    614.982  3927.79    303.871  84.176  6.8035  84.916  3.3039  -0.7400818     7.563329  
1 1 1 -6  15  28 o 56.300  2.2451  1722.34    136.902  968.414    482.267  1788.42    142.776  40.042  10.850  57.366  2.2979  -17.32397      11.09063  
1 1 1 -6  15  29 o 95.291  3.1085  4956.59    320.827  4740.99    690.989  5015.84    362.239  91.490  7.0268  95.760  3.4925  -4.269836      7.846851  
1 1 1 -6  15  30 f 84.408  3.0170  3894.58    275.816  3965.03    643.659  3878.73    305.263  83.097  7.2234  84.145  3.3495  -1.047890      7.962227  
1 1 1 -6  15  31 o 67.260  2.3126  2466.76    168.470  2446.87    259.507  2481.25    221.488  66.570  3.6127  67.291  3.0389  -0.7212753     4.720881  
1 1 1 -6  15  32 o 68.500  3.9861  2611.29    294.461  2791.82    581.770  2549.11    341.425  68.166  8.0340  67.319  4.7123  0.8469696      9.314053  
1 1 1 -6  15  33 o 18.087  7.3884  113.403    229.278  296.876    474.492  57.515     261.880  25.254  10.503  17.884  7.6381  7.370419       12.98674  
1 1 1 -6  15  34 o 65.722  6.4043  2645.12    450.085  0.0000     0.0000   2645.12    450.085  ?       ?       65.722  6.4043  0.000000       6.404279  
1 1 1 -6  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  1  o 381.469 7.4291  78929.61   3069.48  74643.94   3758.28  87515.23   5319.44  370.797 9.3580  401.140 12.243  -30.34348      15.41010  
1 1 1 -6  16  2  o 154.805 3.1919  12981.61   535.177  13507.95   756.700  12454.85   757.010  157.891 4.4248  151.608 4.6101  6.283066       6.389975  
1 1 1 -6  16  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  5  o 450.640 7.5114  110093.70  3666.26  105988.00  5184.47  114200.80  5185.27  441.904 10.832  458.742 10.436  -16.83804      15.04128  
1 1 1 -6  16  6  o 591.638 9.7972  189859.41  6278.11  187864.91  8878.41  191854.09  8878.77  588.052 13.940  594.282 13.794  -6.230164      19.61086  
1 1 1 -6  16  7  o 547.505 9.1152  162540.70  5405.38  156355.00  7644.16  168727.00  7644.56  536.622 13.152  557.502 12.660  -20.88007      18.25518  
1 1 1 -6  16  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  9  o 182.373 3.6035  18015.79   711.802  18699.48   1007.20  17333.61   1006.08  185.784 5.0054  178.867 5.1932  6.916550       7.212690  
1 1 1 -6  16  10 o 511.053 8.5183  141616.30  4715.10  138499.30  6668.48  144732.59  6667.84  505.068 12.190  516.336 11.923  -11.26892      17.05152  
1 1 1 -6  16  11 o 485.994 11.497  128231.50  6051.94  124148.30  8557.95  132316.09  8559.52  477.551 16.545  493.089 16.027  -15.53799      23.03520  
1 1 1 -6  16  12 o 344.174 8.3178  64248.41   3100.69  0.0000     0.0000   64248.41   3100.69  ?       ?       344.174 8.3178  0.000000       8.317815  
1 1 1 -6  16  13 o 278.007 5.7441  41893.63   1729.62  40432.71   2994.08  42625.34   2118.96  272.854 10.131  280.363 6.9780  -7.509644      12.30181  
1 1 1 -6  16  14 o 516.450 9.9997  144937.30  5593.50  149896.50  9687.69  142457.30  6850.80  523.500 17.086  511.551 12.365  11.94925       21.09043  
1 1 1 -6  16  15 o 185.366 3.6803  18618.78   738.904  19377.08   1477.68  18365.95   853.239  188.946 7.2205  184.084 4.2794  4.862366       8.393434  
1 1 1 -6  16  16 f 172.476 3.5061  16120.51   654.964  16177.57   1312.77  16101.60   755.742  172.612 7.0218  172.356 4.0483  0.2562256      8.105208  
1 1 1 -6  16  17 o 196.832 4.2842  21004.74   913.354  20942.14   1619.56  21033.94   1106.01  196.300 7.6174  196.917 5.1857  -0.6168213     9.214979  
1 1 1 -6  16  18 o 126.437 3.0718  8663.25    420.663  9940.74    841.011  8236.99    485.800  135.325 5.7379  123.270 3.6386  12.05486       6.794300  
1 1 1 -6  16  19 o 44.843  3.7881  1098.04    182.267  796.557    362.398  1200.12    210.880  37.485  9.0325  46.855  4.2000  -9.369308      9.961257  
1 1 1 -6  16  20 o 230.141 4.2698  28730.36   1064.31  32254.61   2123.83  27548.53   1229.88  243.337 8.0583  225.285 5.0404  18.05191       9.504790  
1 1 1 -6  16  21 o 120.364 3.1373  7853.76    409.005  8653.48    805.456  7575.90    474.770  126.180 5.8936  118.191 3.7087  7.988739       6.963422  
1 1 1 -6  16  22 o 287.235 5.1319  44824.57   1596.58  44594.28   3186.73  44901.74   1844.81  285.102 10.320  287.328 5.9279  -2.225372      11.90127  
1 1 1 -6  16  23 o 163.241 3.6057  14460.40   637.509  13391.75   1456.57  14713.62   709.027  156.112 8.6482  164.628 3.9764  -8.516281      9.518538  
1 1 1 -6  16  24 o 68.257  2.2532  2525.82    166.575  2607.95    265.263  2472.35    214.040  69.212  3.5505  67.506  2.9274  1.706543       4.601713  
1 1 1 -6  16  25 f 44.389  1.6344  1067.94    78.579   1333.39    115.348  838.071    107.338  49.586  2.1477  39.219  2.5405  10.36686       3.326737  
1 1 1 -6  16  26 o 6.5996  2.6260  11.958     28.138   424.142    416.700  10.070     28.202   29.188  10.425  6.4907  2.6131  22.69729       10.74792  
1 1 1 -6  16  27 o 67.141  2.7756  2451.43    201.846  2396.58    535.041  2460.53    217.950  65.063  7.7446  67.243  2.9926  -2.179176      8.302636  
1 1 1 -6  16  28 o 72.815  2.8641  2887.26    225.883  3293.23    574.531  2813.03    245.666  76.427  7.0190  71.830  3.1577  4.597496       7.696564  
1 1 1 -6  16  29 o 73.897  2.7084  2975.29    216.773  4182.17    590.091  2787.01    233.068  86.227  6.3633  71.469  3.0109  14.75822       7.039680  
1 1 1 -6  16  30 o 43.840  5.2289  1084.25    243.382  1247.92    500.089  1033.45    278.603  44.725  10.503  42.430  6.2495  2.295048       12.22140  
1 1 1 -6  16  31 o 10.964  3.5527  64.233     48.188   45.513     49.029   596.033    261.318  9.9091  3.5721  31.398  7.7347  -21.48891      8.519762  
1 1 1 -6  16  32 o 34.747  6.7900  720.324    246.376  748.453    494.080  711.014    284.237  33.759  11.391  34.039  7.8673  -0.2797966     13.84414  
1 1 1 -6  16  33 o 35.161  6.6108  752.113    242.521  891.172    501.320  709.626    277.103  34.964  11.466  33.454  7.7925  1.509579       13.86342  
1 1 1 -6  16  34 o 18.759  8.4385  -3.2763    359.252  0.0000     0.0000   -3.2763    359.252  ?       ?       18.759  8.4385  0.000000       8.438487  
1 1 1 -6  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  17  1  o 236.839 5.0351  30397.08   1291.62  30395.21   1582.74  30400.80   2234.80  236.793 6.1712  236.699 8.7171  0.9417725E-01  10.68045  
1 1 1 -6  17  2  o 501.728 16.857  137285.50  9160.54  137285.50  9160.54  0.0000     0.0000   501.728 16.857  ?       ?       0.000000       16.85707  
1 1 1 -6  17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  17  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  17  5  o 504.809 8.4233  138177.70  4605.54  133978.80  6512.89  142377.41  6513.54  496.749 12.105  512.121 11.743  -15.37192      16.86496  
1 1 1 -6  17  6  o 200.139 3.8305  21697.12   830.347  20933.89   1173.42  22462.61   1175.16  196.563 5.5116  203.617 5.3286  -7.053833      7.666316  
1 1 1 -6  17  7  o 273.399 4.9061  40494.04   1452.79  40314.22   2054.46  40673.89   2054.66  272.742 6.9547  273.957 6.9245  -1.214783      9.814071  
1 1 1 -6  17  8  o 270.948 4.7862  39770.74   1404.57  40219.34   1986.96  39322.68   1985.76  272.425 6.7340  269.369 6.8063  3.055878       9.574545  
1 1 1 -6  17  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  17  10 o 283.070 5.5984  43417.68   1716.45  39939.45   2968.34  45164.97   2103.86  271.328 10.101  288.675 6.7288  -17.34729      12.13671  
1 1 1 -6  17  11 o 594.961 13.911  192419.41  8964.05  180107.30  12676.34 204734.30  12677.82 574.380 20.376  612.688 19.104  -38.30792      27.93156  
1 1 1 -6  17  12 o 597.714 11.479  194059.50  7431.10  185521.20  12871.71 198328.00  9100.97  582.531 20.401  603.826 13.916  -21.29572      24.69494  
1 1 1 -6  17  13 o 802.473 15.286  351070.19  13286.37 344585.91  23011.92 354312.69  16272.68 789.547 26.909  804.859 18.667  -15.31287      32.75006  
1 1 1 -6  17  14 o 384.290 6.5779  80097.47   2737.88  78696.62   5475.18  80564.55   3161.54  380.022 13.302  385.313 7.5756  -5.290466      15.30797  
1 1 1 -6  17  15 f 355.573 6.7423  68607.23   2596.63  68017.30   4819.91  68848.46   3082.14  353.160 12.601  356.053 7.9922  -2.893066      14.92161  
1 1 1 -6  17  16 o 380.308 6.5038  78505.54   2679.01  79917.84   5356.26  78034.36   3093.79  382.433 12.931  379.018 7.5363  3.414795       14.96699  
1 1 1 -6  17  17 o 26.437  5.6314  393.736    156.313  414.888    306.553  386.304    181.710  27.955  8.9505  26.159  6.4533  1.796452       11.03438  
1 1 1 -6  17  18 o 211.732 4.0374  24306.47   925.888  24240.97   1850.72  24328.33   1069.33  211.072 8.0954  211.785 4.6617  -0.7134552     9.341720  
1 1 1 -6  17  19 o 200.171 4.0345  21727.96   874.713  22751.20   1652.93  21329.95   1030.89  204.503 7.4625  198.275 4.8004  6.228287       8.873127  
1 1 1 -6  17  20 o 226.986 4.2426  27947.87   1043.04  28637.13   2084.34  27717.60   1204.74  229.223 8.3954  225.985 4.9220  3.237686       9.731823  
1 1 1 -6  17  21 o 115.904 3.0536  7282.17    383.329  7313.69    762.941  7271.53    443.353  115.824 6.1032  115.799 3.5349  0.2488708E-01  7.052956  
1 1 1 -6  17  22 o 251.266 4.8982  34292.88   1333.03  35987.91   2493.18  33614.34   1577.44  256.502 8.9742  248.608 5.8582  7.893326       10.71701  
1 1 1 -6  17  23 o 126.324 3.2600  8656.65    446.044  8740.54    875.235  8627.22    518.418  126.469 6.4105  126.071 3.7966  0.3974762      7.450423  
1 1 1 -6  17  24 o 142.306 3.4178  10994.98   526.794  9871.33    1006.84  11418.53   618.158  134.128 6.9544  144.961 3.9371  -10.83228      7.991569  
1 1 1 -6  17  25 o 29.341  1.6292  468.052    51.573   341.457    345.294  470.941    52.158   26.592  9.4911  29.431  1.6428  -2.839291      9.632194  
1 1 1 -6  17  26 o 68.316  2.7643  2535.79    204.542  3177.22    542.767  2429.61    220.823  75.589  6.6989  66.847  3.0499  8.742691       7.360548  
1 1 1 -6  17  27 o 62.490  2.6618  2122.93    180.157  1232.38    523.243  2242.71    191.889  45.436  10.793  64.219  2.7588  -18.78341      11.13967  
1 1 1 -6  17  28 o 136.955 3.3849  10237.87   502.103  10943.58   1012.02  10007.43   578.299  140.022 6.6730  135.214 3.9488  4.808502       7.753822  
1 1 1 -6  17  29 o 106.112 3.1349  6148.08    360.300  6290.21    765.051  6107.57    408.430  105.598 6.7240  105.634 3.5698  -0.3557587E-01 7.612886  
1 1 1 -6  17  30 o 106.671 3.1633  6227.55    365.475  6606.31    644.598  6048.10    443.683  108.595 5.4983  104.834 3.9075  3.761177       6.745358  
1 1 1 -6  17  31 o 79.810  2.9155  3487.88    252.020  3732.75    351.405  3228.55    361.634  82.188  3.9476  76.133  4.4044  6.054733       5.914540  
1 1 1 -6  17  32 o 50.772  4.8466  1459.52    263.280  1859.02    527.071  1326.69    303.911  54.534  9.2542  47.842  5.9967  6.692142       11.02729  
1 1 1 -6  17  33 o 30.996  7.2460  601.374    238.902  458.713    492.369  645.302    273.218  27.566  10.980  31.734  7.9621  -4.168484      13.56299  
1 1 1 -6  17  34 o 36.640  1.6922  733.335    67.155   0.0000     0.0000   733.335    67.155   ?       ?       36.640  1.6922  0.000000       1.692217  
1 1 1 -6  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  18  1  o 320.826 6.2804  55793.14   2182.34  51932.12   3777.06  57728.05   2673.83  309.208 11.278  326.273 7.5663  -17.06567      13.58097  
1 1 1 -6  18  2  o 274.643 4.8224  40870.12   1434.52  37290.39   2028.15  44453.84   2029.28  262.258 7.1400  286.368 6.5425  -24.11029      9.684265  
1 1 1 -6  18  3  o 549.232 12.936  163930.09  7695.48  162482.80  10882.71 165377.59  10883.39 545.835 18.408  550.710 18.246  -4.874390      25.91862  
1 1 1 -6  18  4  o 324.198 6.5536  56964.75   2301.23  55637.82   2818.85  59616.13   3984.59  320.331 8.1246  331.410 11.101  -11.07898      13.75622  
1 1 1 -6  18  5  o 418.130 7.0825  94759.63   3207.52  95888.90   4535.99  93630.23   4536.24  420.444 9.9608  415.455 10.081  4.989594       14.17191  
1 1 1 -6  18  6  o 286.382 5.0384  44432.29   1562.81  44052.56   2209.86  44812.21   2210.42  285.100 7.1565  287.549 7.0973  -2.449493      10.07900  
1 1 1 -6  18  7  o 627.697 12.002  213831.91  8159.45  210292.91  9993.41  220909.30  14132.11 622.130 14.831  636.694 20.493  -14.56439      25.29654  
1 1 1 -6  18  8  o 195.430 3.7624  20688.08   796.395  19756.65   1126.41  21619.05   1126.13  190.958 5.4462  199.759 5.2049  -8.801804      7.533369  
1 1 1 -6  18  9  o 490.316 8.2110  130338.90  4360.56  130778.00  6167.53  129899.90  6166.00  490.871 11.600  489.216 11.637  1.654175       16.43120  
1 1 1 -6  18  10 o 653.228 12.444  231721.59  8804.00  224032.09  15247.94 235567.09  10783.01 640.433 21.982  658.194 15.126  -17.76105      26.68325  
1 1 1 -6  18  11 o 639.799 13.865  222527.50  9607.95  229599.00  12558.69 212547.41  14919.67 649.070 17.864  623.464 22.094  25.60687       28.41269  
1 1 1 -6  18  12 o 752.829 14.369  308428.81  11716.64 290192.59  20294.10 317546.41  14349.80 726.308 25.798  763.020 17.364  -36.71136      31.09677  
1 1 1 -6  18  13 o 867.596 16.526  410924.41  15529.09 411429.31  26896.57 410672.00  19019.39 861.117 28.838  865.577 20.287  -4.460266      35.25900  
1 1 1 -6  18  14 o 512.556 8.5749  142653.50  4760.37  149842.30  9520.80  140257.30  5496.78  523.338 16.797  507.991 9.9904  15.34613       19.54312  
1 1 1 -6  18  15 o 280.696 5.0089  42717.61   1522.82  39700.32   3044.36  43724.52   1758.66  270.091 10.407  283.936 5.7186  -13.84430      11.87446  
1 1 1 -6  18  16 o 502.167 8.9904  137168.20  4889.84  139699.09  9044.86  136123.00  5812.48  504.125 16.565  499.780 10.738  4.344818       19.74082  
1 1 1 -6  18  17 o 324.860 5.6723  57268.54   1995.83  56907.08   3990.86  57389.09   2304.75  322.833 11.413  325.092 6.5456  -2.258606      13.15721  
1 1 1 -6  18  18 f 169.847 3.9782  15640.65   731.841  16635.44   1537.91  15349.43   832.095  174.846 8.1209  168.227 4.5667  6.618637       9.316875  
1 1 1 -6  18  19 o 241.290 4.4440  31580.76   1161.40  31370.34   2321.43  31651.01   1341.34  239.896 8.9343  241.494 5.1282  -1.597763      10.30146  
1 1 1 -6  18  20 o 127.531 3.1597  8815.91    436.445  9353.87    861.383  8630.10    506.237  131.204 6.0615  126.158 3.7048  5.045822       7.104042  
1 1 1 -6  18  21 o 189.817 3.7780  19542.24   776.734  18781.66   1544.40  19799.77   898.661  185.643 7.6809  191.017 4.3436  -5.373657      8.823986  
1 1 1 -6  18  22 o 108.029 3.0942  6327.71    362.038  6241.94    709.698  6357.89    420.927  106.928 6.1539  108.264 3.5897  -1.335228      7.124298  
1 1 1 -6  18  23 o 89.080  3.0947  4304.07    298.585  4651.20    593.675  4186.53    345.457  92.216  5.9761  87.829  3.6315  4.386665       6.992939  
1 1 1 -6  18  24 o 137.111 3.2691  10205.46   485.487  9787.53    966.416  10346.53   561.477  133.767 6.6703  138.003 3.7564  -4.235901      7.655311  
1 1 1 -6  18  25 o 165.540 3.5437  14899.65   635.385  15425.01   1257.39  14719.50   736.309  167.497 6.9309  164.419 4.1347  3.078110       8.070523  
1 1 1 -6  18  26 o 37.922  2.2379  783.222    91.511   1431.77    461.737  756.707    93.363   49.889  8.8701  37.264  2.3248  12.62522       9.169712  
1 1 1 -6  18  27 o 38.059  5.6281  814.398    225.007  1412.31    468.314  634.947    256.560  49.262  9.1129  33.136  7.3418  16.12583       11.70242  
1 1 1 -6  18  28 f 47.054  4.8963  1231.63    245.879  1234.15    492.088  1230.79    283.853  45.296  10.267  46.816  5.7167  -1.520390      11.75153  
1 1 1 -6  18  29 f 76.618  2.9249  3202.12    242.720  3023.15    335.875  3397.74    351.150  74.048  4.2052  78.535  4.1429  -4.486855      5.903142  
1 1 1 -6  18  30 o 77.178  2.8864  3254.65    241.284  3317.87    330.479  3182.47    353.098  77.530  3.9486  75.787  4.3195  1.743217       5.852334  
1 1 1 -6  18  31 o 40.229  1.6980  879.763    73.987   904.839    76.808   557.090    275.527  40.794  1.7383  30.221  8.2061  10.57336       8.388161  
1 1 1 -6  18  32 o 39.894  1.7965  866.396    77.626   809.751    490.834  867.850    78.615   34.804  11.342  39.925  1.8180  -5.120739      11.48699  
1 1 1 -6  18  33 o 27.869  1.9959  426.610    59.847   912.564    489.971  419.250    60.299   35.258  11.319  27.619  2.0299  7.639032       11.49911  
1 1 1 -6  18  34 o 22.566  9.2899  267.488    365.990  0.0000     0.0000   267.488    365.990  ?       ?       22.566  9.2899  0.000000       9.289885  
1 1 1 -6  18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  19  1  o 635.099 21.154  220512.30  14551.55 0.0000     0.0000   220512.30  14551.55 ?       ?       635.099 21.154  0.000000       21.15424  
1 1 1 -6  19  2  o 485.969 8.6352  128090.50  4545.19  130035.50  5947.35  125359.30  7047.53  489.388 11.220  480.227 13.549  9.161957       17.59202  
1 1 1 -6  19  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  19  4  o 511.299 9.7797  141809.80  5415.88  143041.70  6633.55  139347.00  9379.23  513.309 11.932  505.982 17.114  7.327362       20.86300  
1 1 1 -6  19  5  o 525.640 8.7822  149810.80  4999.88  148314.50  7070.69  151307.30  7071.10  522.684 12.490  527.944 12.366  -5.259888      17.57585  
1 1 1 -6  19  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  19  7  o 544.742 9.0733  160900.59  5353.37  160952.50  7570.70  160848.70  7570.91  544.493 12.837  544.317 12.842  0.1759644      18.15788  
1 1 1 -6  19  8  o 450.684 7.5907  110097.30  3705.33  110438.90  5240.20  109755.60  5240.04  451.180 10.723  449.779 10.756  1.400330       15.18843  
1 1 1 -6  19  9  o 291.443 5.1355  46019.13   1621.08  44700.82   2293.36  47335.57   2291.74  287.171 7.3733  295.521 7.1599  -8.349640      10.27762  
1 1 1 -6  19  10 o 362.458 7.0696  71211.48   2775.39  64310.51   4804.80  74666.95   3399.96  344.085 12.893  371.075 8.4594  -26.99002      15.42012  
1 1 1 -6  19  11 f 476.569 9.0436  123201.60  4668.07  130431.90  5718.83  108765.90  8080.71  490.182 10.772  446.882 16.695  43.30020       19.86833  
1 1 1 -6  19  12 o 496.719 9.5907  133920.70  5159.79  136281.09  8940.62  132742.00  6318.15  499.966 16.510  494.240 11.803  5.725677       20.29524  
1 1 1 -6  19  13 o 478.643 8.6609  124353.10  4489.99  129389.90  8309.02  122275.70  5336.18  486.958 15.754  474.391 10.385  12.56683       18.86909  
1 1 1 -6  19  14 o 363.674 6.7668  71748.36   2665.41  74796.84   7407.91  71295.02   2856.73  368.792 18.606  362.474 7.2765  6.318176       19.97799  
1 1 1 -6  19  15 o 73.322  2.9507  2912.63    234.333  2164.35    461.180  3173.06    272.073  62.773  6.8968  76.526  3.2825  -13.75317      7.638084  
1 1 1 -6  19  16 o 43.846  3.7109  1049.37    174.578  1308.66    345.195  960.258    202.365  48.638  6.7333  41.840  4.5383  6.798161       8.119935  
1 1 1 -6  19  17 o 313.215 5.9158  53248.58   2006.91  54847.28   5482.29  53001.18   2156.60  315.213 16.112  312.430 6.3731  2.783478       17.32634  
1 1 1 -6  19  18 o 117.074 2.9966  7427.67    379.977  7527.35    758.461  7394.27    439.049  117.590 5.9748  116.798 3.4706  0.7928543      6.909643  
1 1 1 -6  19  19 o 82.385  3.0211  3678.44    269.580  3494.66    527.074  3743.55    313.719  79.974  6.1316  83.100  3.4855  -3.126808      7.053051  
1 1 1 -6  19  20 o 209.463 4.0394  23796.33   916.423  23013.54   1830.73  24058.06   1058.60  205.503 8.2250  210.561 4.6418  -5.057770      9.444397  
1 1 1 -6  19  21 o 65.212  3.3160  2311.72    233.439  2187.66    465.367  2353.43    269.845  63.019  6.9326  65.761  3.8048  -2.741974      7.908105  
1 1 1 -6  19  22 o 62.407  3.4049  2118.60    229.281  2497.06    456.690  1991.06    265.114  67.437  6.3265  60.433  4.0741  7.003407       7.524773  
1 1 1 -6  19  23 o 103.892 2.9140  5853.63    327.906  5200.12    587.741  6148.98    395.115  97.579  5.5843  106.452 3.4269  -8.873077      6.551918  
1 1 1 -6  19  24 o 87.689  2.8061  4171.79    266.516  3887.92    433.186  4344.69    338.074  84.376  4.7595  89.443  3.4898  -5.066948      5.901836  
1 1 1 -6  19  25 o 97.317  2.8130  5142.06    296.503  5307.39    521.836  5063.23    360.316  98.613  4.8857  96.505  3.4472  2.107185       5.979417  
1 1 1 -6  19  26 o 108.923 3.0048  6451.11    354.488  6319.79    670.369  6502.08    417.659  107.072 5.8022  109.269 3.5290  -2.197151      6.791118  
1 1 1 -6  19  27 o 49.517  2.2679  1331.67    121.633  1348.67    136.169  1264.53    270.555  49.750  2.5355  47.662  5.3323  2.088108       5.904411  
1 1 1 -6  19  28 o 58.624  2.2620  1867.97    143.627  2048.67    166.988  1354.29    281.551  61.368  2.5123  49.233  5.3669  12.13544       5.925850  
1 1 1 -6  19  29 o 77.805  2.8659  3301.50    241.512  3263.79    342.629  3338.74    340.479  76.965  4.1252  77.869  4.0509  -0.9044189     5.781637  
1 1 1 -6  19  30 o 68.783  2.7035  2582.52    201.410  2761.60    254.850  2284.56    328.719  70.987  3.3146  63.995  4.7769  6.991741       5.814299  
1 1 1 -6  19  31 o 4.5516  2.1783  -42.5009   30.498   -45.5420   30.714   171.852    257.856  4.4943  2.1601  20.449  8.0079  -15.95463      8.294140  
1 1 1 -6  19  32 o 49.344  4.7992  1379.78    253.246  1847.29    521.241  1235.32    289.742  54.300  9.1907  46.132  5.9365  8.167740       10.94124  
1 1 1 -6  19  33 o 16.820  7.1482  55.564     227.292  240.767    471.416  -0.5293    259.439  24.210  10.292  16.787  7.3817  7.422186       12.66515  
1 1 1 -6  19  34 o 29.495  9.9454  639.152    376.596  0.0000     0.0000   639.152    376.596  ?       ?       29.495  9.9454  0.000000       9.945383  
1 1 1 -6  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  20  1  o 178.965 3.2376  17348.63   627.566  16550.50   887.242  18147.75   887.783  174.781 4.6868  183.024 4.4785  -8.242996      6.482509  
1 1 1 -6  20  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  20  3  o 276.951 5.2977  41558.32   1589.12  40527.38   2436.60  42321.41   2096.30  273.400 8.2284  279.433 6.9264  -6.033813      10.75553  
1 1 1 -6  20  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  20  5  o 684.255 22.695  255529.91  16819.41 0.0000     0.0000   255529.91  16819.41 ?       ?       684.255 22.695  0.000000       22.69462  
1 1 1 -6  20  6  o 99.875  2.5988  5402.55    281.125  5534.90    395.814  5267.83    399.353  101.086 3.6152  98.617  3.7388  2.469627       5.200791  
1 1 1 -6  20  7  o 742.047 17.204  299532.09  13827.19 299532.09  13827.19 0.0000     0.0000   742.047 17.204  ?       ?       0.000000       17.20411  
1 1 1 -6  20  8  o 294.496 5.1854  46987.89   1653.99  47416.82   2339.60  46559.33   2338.59  295.775 7.3031  293.086 7.3669  2.688843       10.37341  
1 1 1 -6  20  9  o 495.582 8.2513  133159.30  4429.04  137369.41  6264.23  128950.80  6263.00  503.083 11.496  487.388 11.864  15.69452       16.52039  
1 1 1 -6  20  10 o 557.713 10.628  168799.41  6419.73  163083.91  11117.98 171658.20  7862.99  546.978 18.767  562.135 12.914  -15.15704      22.78091  
1 1 1 -6  20  11 o 637.603 12.206  220852.59  8429.24  221913.50  10324.30 218731.50  14598.08 638.638 14.926  632.510 21.309  6.127625       26.01616  
1 1 1 -6  20  12 o 189.026 5.2479  19363.76   1074.42  20945.35   1524.81  17804.14   1514.18  196.533 7.1632  181.179 7.7161  15.35472       10.52854  
1 1 1 -6  20  13 o 103.707 2.9089  5826.08    326.743  5980.10    463.099  5673.40    461.078  105.056 4.0699  102.325 4.1603  2.730736       5.819952  
1 1 1 -6  20  14 o 73.673  2.9924  2940.39    238.780  3898.20    464.521  2596.42    278.373  84.647  5.0904  69.122  3.7321  15.52454       6.311915  
1 1 1 -6  20  15 o 405.102 6.8952  89076.99   3025.38  90955.50   6049.16  88450.38   3493.71  407.979 13.689  403.516 7.9938  4.463348       15.85255  
1 1 1 -6  20  16 o 163.826 3.4087  14544.24   604.834  14343.25   1206.64  14611.69   698.989  162.527 6.8546  164.188 3.9306  -1.660202      7.901574  
1 1 1 -6  20  17 o 319.128 5.5805  55266.52   1928.90  57050.01   3857.06  54671.71   2227.45  323.276 11.016  317.292 6.4815  5.984253       12.78109  
1 1 1 -6  20  18 o 239.381 4.4208  31078.37   1146.20  30684.78   2291.25  31209.74   1323.74  237.326 8.9137  239.828 5.0960  -2.502579      10.26757  
1 1 1 -6  20  19 o 221.178 4.1785  26531.20   1000.99  27597.57   2001.41  26175.46   1155.96  225.109 8.2087  219.633 4.8593  5.475998       9.539124  
1 1 1 -6  20  20 o 133.558 3.2201  9669.47    465.805  9192.46    984.667  9807.00    528.704  129.797 7.0303  134.487 3.6296  -4.689819      7.912017  
1 1 1 -6  20  21 o 105.449 2.9731  6027.66    339.558  5870.49    687.709  6078.33    390.475  103.718 6.1493  105.875 3.4051  -2.156647      7.029087  
1 1 1 -6  20  22 o 69.691  3.2959  2634.04    248.781  3059.21    484.967  2482.19    289.821  74.737  6.0428  67.513  3.9811  7.223907       7.236315  
1 1 1 -6  20  23 o 48.212  4.0214  1270.98    208.076  1532.78    402.357  1175.40    243.108  52.476  7.2748  46.232  4.9311  6.244354       8.788515  
1 1 1 -6  20  24 o 91.921  2.9975  4585.71    298.428  4825.58    590.605  4503.46    345.824  93.835  5.8401  91.057  3.5065  2.778137       6.811949  
1 1 1 -6  20  25 o 86.255  2.7615  4039.45    257.987  4148.51    556.429  4009.58    291.176  86.810  5.9539  85.904  3.1295  0.9055862      6.726284  
1 1 1 -6  20  26 o 18.104  7.0391  116.152    198.143  -53.4765   436.717  160.122    222.345  22.161  9.6647  19.852  7.5228  2.309498       12.24741  
1 1 1 -6  20  27 o 32.143  5.9214  587.666    198.550  457.480    335.150  658.064    246.454  28.707  9.3732  33.815  6.9611  -5.107569      11.67539  
1 1 1 -6  20  28 o 22.304  1.5137  271.091    36.351   272.865    36.772   195.026    240.822  22.376  1.5264  20.977  7.8549  1.399410       8.001864  
1 1 1 -6  20  29 o 41.228  1.5962  922.544    71.277   959.283    74.197   483.266    256.563  42.039  1.6296  28.632  7.9766  13.40677       8.141387  
1 1 1 -6  20  30 o 78.617  2.8683  3377.42    244.237  3535.52    346.547  3221.40    344.270  80.099  3.9945  76.287  4.1825  3.811630       5.783567  
1 1 1 -6  20  31 o 22.345  0.8822  270.688    21.351   347.335    30.686   198.761    29.727   25.304  1.1197  19.076  1.4496  6.227753       1.831653  
1 1 1 -6  20  32 o 47.623  2.4882  1244.25    127.897  1756.80    521.065  1211.39    131.933  52.636  9.4888  46.960  2.6041  5.676674       9.839682  
1 1 1 -6  20  33 o 26.636  7.7197  454.504    235.627  17.594     486.025  588.745    269.405  21.812  9.8130  30.081  8.0920  -8.269375      12.71904  
1 1 1 -6  20  34 o 23.156  9.3773  306.870    365.490  0.0000     0.0000   306.870    365.490  ?       ?       23.156  9.3773  0.000000       9.377301  
1 1 1 -6  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  21  1  o 201.835 3.7003  22066.64   808.917  22313.29   1143.91  21819.93   1144.05  202.936 5.2043  200.678 5.2635  2.257141       7.401986  
1 1 1 -6  21  2  o 636.247 14.869  220053.30  10246.46 211460.41  14490.18 228647.50  14491.19 622.426 21.494  647.418 20.666  -24.99243      29.81708  
1 1 1 -6  21  3  o 399.796 7.9800  86648.78   3455.50  87173.09   5982.88  86386.34   4232.88  400.595 13.789  399.086 9.7926  1.508972       16.91254  
1 1 1 -6  21  4  o 234.902 4.2508  29890.70   1081.51  29537.49   1529.22  30244.17   1529.75  233.477 6.0472  236.255 5.9782  -2.777954      8.503383  
1 1 1 -6  21  5  o 336.918 5.8611  61504.70   2138.83  63225.01   3024.67  59784.20   3024.85  341.515 8.1771  332.082 8.4098  9.432373       11.72988  
1 1 1 -6  21  6  f 638.953 17.741  222125.59  12277.77 0.0000     0.0000   222125.59  12277.77 ?       ?       638.953 17.741  0.000000       17.74110  
1 1 1 -6  21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  21  8  o 246.418 4.4254  32894.54   1181.12  32415.39   1670.31  33373.75   1670.41  244.577 6.3054  248.169 6.2145  -3.591400      8.853125  
1 1 1 -6  21  9  o 553.472 13.024  166381.09  7807.26  0.0000     0.0000   166381.09  7807.26  ?       ?       553.472 13.024  0.000000       13.02365  
1 1 1 -6  21  10 o 695.593 16.242  263344.69  12236.94 255841.09  17305.26 270848.91  17306.03 683.788 23.366  703.760 22.704  -19.97205      32.57985  
1 1 1 -6  21  11 o 377.724 7.3259  77357.05   2997.13  81145.12   3672.29  69800.41   5186.72  386.763 8.7664  358.311 13.365  28.45251       15.98337  
1 1 1 -6  21  12 o 395.057 9.5290  84726.88   4077.34  84575.97   5767.92  84877.62   5764.54  394.220 13.509  394.927 13.477  -0.7069702     19.08138  
1 1 1 -6  21  13 o 314.509 5.5122  53621.44   1877.72  53694.29   2655.79  53548.62   2655.20  314.566 7.7949  314.138 7.8038  0.4277039      11.02996  
1 1 1 -6  21  14 o 233.501 4.2866  29548.76   1084.11  29612.86   2164.17  29527.29   1252.61  233.494 8.5575  233.387 4.9553  0.1078796      9.888649  
1 1 1 -6  21  15 o 231.312 4.3034  29002.60   1078.15  27165.67   2151.31  29618.71   1245.90  223.532 8.8858  233.723 4.9217  -10.19145      10.15774  
1 1 1 -6  21  16 o 209.078 4.0045  23695.02   906.827  23706.44   1811.56  23691.21   1047.52  208.838 8.0089  209.028 4.6269  -0.1900787     9.249337  
1 1 1 -6  21  17 o 407.131 6.8950  90053.05   3040.45  90205.62   6078.56  90002.15   3511.27  405.519 13.839  406.798 7.9692  -1.279114      15.96995  
1 1 1 -6  21  18 o 346.906 6.5048  65381.86   2444.09  66125.24   4537.14  65077.95   2900.98  347.519 12.054  345.867 7.7440  1.651917       14.32725  
1 1 1 -6  21  19 f 167.745 3.4806  15254.06   632.371  15770.48   1263.57  15081.49   730.425  170.311 6.8500  166.764 4.0439  3.546738       7.954594  
1 1 1 -6  21  20 o 214.256 4.0923  24900.02   949.667  25456.63   1897.96  24714.13   1096.85  216.134 8.1076  213.396 4.7456  2.738068       9.394363  
1 1 1 -6  21  21 o 166.353 3.5305  15007.74   636.125  14968.36   1269.74  15020.94   735.017  165.783 7.0714  166.387 4.0786  -0.6036682     8.163286  
1 1 1 -6  21  22 o 93.264  2.8550  4715.81    288.397  4749.55    487.551  4697.65    357.685  93.376  4.8373  93.056  3.5488  0.3196564      5.999491  
1 1 1 -6  21  23 o 69.887  3.2182  2649.93    243.601  3261.33    483.210  2441.59    282.067  77.155  5.8253  66.941  3.9073  10.21338       7.014329  
1 1 1 -6  21  24 o 128.568 3.1504  8973.87    438.709  9014.67    871.449  8960.02    507.742  128.393 6.2666  128.415 3.6505  -0.2148438E-01 7.252323  
1 1 1 -6  21  25 o 69.338  2.2340  2608.18    167.771  2652.90    466.822  2601.54    179.783  69.242  6.2933  69.241  2.3973  0.1007080E-02  6.734465  
1 1 1 -6  21  26 o 91.952  3.2320  4601.18    321.882  5141.52    672.295  4440.48    366.636  96.295  6.4837  90.256  3.7505  6.038338       7.490289  
1 1 1 -6  21  27 o 30.169  6.8649  525.503    219.271  1024.23    450.296  370.488    251.046  41.502  10.111  25.734  8.0840  15.76738       12.94517  
1 1 1 -6  21  28 o 44.815  2.2817  1094.59    110.388  1731.26    481.683  1059.30    113.406  54.615  8.4131  44.072  2.3846  10.54242       8.744489  
1 1 1 -6  21  29 o 41.151  5.3134  954.430    231.290  825.007    476.757  994.266    264.501  36.650  11.074  41.793  6.0167  -5.142258      12.60320  
1 1 1 -6  21  30 o 29.528  7.1167  517.229    224.935  -4.9020    465.699  676.104    256.887  22.696  9.9368  33.792  7.2369  -11.09599      12.29281  
1 1 1 -6  21  31 o 14.587  1.7257  117.292    26.736   85.409     450.893  117.405    26.783   23.192  9.9669  14.594  1.7280  8.598439       10.11553  
1 1 1 -6  21  32 o 20.409  7.6100  209.018    225.569  482.863    469.210  126.706    257.245  28.735  10.919  19.290  7.8470  9.444548       13.44601  
1 1 1 -6  21  33 o 29.967  7.3701  571.386    237.552  437.766    489.611  612.525    271.670  26.854  10.861  30.639  8.0733  -3.784569      13.53282  
1 1 1 -6  21  34 o 29.410  11.964  686.860    597.956  0.0000     0.0000   686.860    597.956  ?       ?       29.410  11.964  0.000000       11.96355  
1 1 1 -6  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  22  1  o 614.122 20.429  205625.70  13588.26 0.0000     0.0000   205625.70  13588.26 ?       ?       614.122 20.429  0.000000       20.42862  
1 1 1 -6  22  2  o 625.408 20.791  213270.50  14083.12 213270.50  14083.12 0.0000     0.0000   625.408 20.791  ?       ?       0.000000       20.79052  
1 1 1 -6  22  3  o 523.662 10.143  148740.20  5753.01  145001.80  7046.37  156214.50  9963.35  516.819 12.588  535.870 17.166  -19.05121      21.28704  
1 1 1 -6  22  4  o 126.433 2.9889  8658.03    409.299  8557.57    578.337  8758.83    579.336  125.689 4.2483  127.159 4.2064  -1.469704      5.978459  
1 1 1 -6  22  5  o 681.209 22.586  253182.91  16664.06 0.0000     0.0000   253182.91  16664.06 ?       ?       681.209 22.586  0.000000       22.58552  
1 1 1 -6  22  6  o 312.441 5.3370  52888.61   1806.09  51980.77   2553.75  53797.08   2554.65  309.680 7.6137  315.049 7.4866  -5.368439      10.67786  
1 1 1 -6  22  7  o 397.489 6.7866  85625.38   2921.78  85525.31   4131.70  85725.47   4132.33  397.114 9.6060  397.579 9.5962  -0.4649963     13.57805  
1 1 1 -6  22  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  22  9  o 747.341 14.091  303529.50  11406.16 291621.31  19754.63 309485.00  13970.13 729.799 24.992  754.012 17.106  -24.21350      30.28538  
1 1 1 -6  22  10 o 602.974 11.537  197408.00  7534.90  198241.70  9228.76  195741.20  13049.62 603.857 14.110  598.839 20.119  5.017944       24.57433  
1 1 1 -6  22  11 o 737.462 12.117  295513.31  9678.55  296311.81  13687.99 294715.00  13687.10 737.221 17.142  735.219 17.188  2.002136       24.27525  
1 1 1 -6  22  12 o 136.791 4.4910  10139.15   665.376  9372.48    947.474  10885.17   934.626  131.303 6.6844  141.701 6.0897  -10.39772      9.042430  
1 1 1 -6  22  13 o 606.095 10.020  199619.50  6577.48  199290.70  9302.68  199948.30  9301.26  604.556 14.207  605.560 14.181  -1.004089      20.07350  
1 1 1 -6  22  14 o 159.540 3.5182  13791.26   607.930  14281.05   1163.89  13607.50   712.909  162.241 6.6234  158.457 4.1539  3.783585       7.818199  
1 1 1 -6  22  15 o 274.301 4.9199  40797.44   1461.70  40415.21   2921.96  40925.01   1688.10  272.501 9.9000  274.674 5.6743  -2.173248      11.41088  
1 1 1 -6  22  16 o 352.022 6.4957  67275.41   2476.66  64916.41   6853.10  67629.80   2656.19  342.303 18.554  352.885 6.9495  -10.58179      19.81252  
1 1 1 -6  22  17 o 280.512 5.0092  42686.28   1521.93  42644.18   3041.87  42700.33   1757.76  279.651 10.043  280.478 5.7861  -0.8267212     11.59038  
1 1 1 -6  22  18 o 215.834 4.3406  25264.33   1014.71  24645.60   2581.19  25377.43   1103.56  212.004 11.282  216.289 4.7108  -4.284973      12.22562  
1 1 1 -6  22  19 o 89.725  3.0362  4363.20    295.057  4210.91    571.167  4418.64    344.598  87.837  6.0404  90.280  3.5241  -2.443878      6.993271  
1 1 1 -6  22  20 f 60.328  2.4432  1972.13    159.643  2480.71    433.279  1892.24    171.724  67.299  6.0073  59.090  2.6831  8.208519       6.579273  
1 1 1 -6  22  21 o 110.829 3.1222  6659.37    374.793  7296.99    736.571  6436.60    435.368  115.700 5.8973  108.936 3.6899  6.764046       6.956575  
1 1 1 -6  22  22 o 138.516 3.2745  10406.31   491.265  10769.72   978.663  10283.89   568.014  140.613 6.4259  137.663 3.8095  2.950562       7.470294  
1 1 1 -6  22  23 o 124.438 3.1602  8401.24    425.925  8848.69    847.608  8250.08    492.640  127.385 6.1434  123.273 3.6897  4.112633       7.166225  
1 1 1 -6  22  24 o 78.692  2.7284  3359.93    232.547  3113.25    346.439  3562.24    313.730  75.527  4.2523  80.971  3.5773  -5.443794      5.556935  
1 1 1 -6  22  25 o 71.996  2.6103  2813.92    203.546  2943.30    477.809  2785.24    224.981  72.992  6.0997  71.607  2.9008  1.384514       6.754351  
1 1 1 -6  22  26 o 154.705 3.4755  13035.75   582.367  13232.66   1176.94  12971.90   670.159  154.510 7.0328  154.179 4.0131  0.3309174      8.097222  
1 1 1 -6  22  27 o 30.803  6.5956  546.035    213.414  471.041    453.228  567.401    241.911  30.270  10.866  31.286  7.2764  -1.015770      13.07758  
1 1 1 -6  22  28 o 49.974  4.6390  1385.06    248.229  1828.26    500.956  1240.83    285.779  56.096  8.5125  46.979  5.7354  9.116550       10.26440  
1 1 1 -6  22  29 o 59.316  4.0298  1941.97    257.365  2327.70    531.666  1823.92    294.122  63.379  7.9178  57.255  4.7868  6.124119       9.252315  
1 1 1 -6  22  30 o 66.429  2.2952  2403.96    165.139  2796.34    564.980  2367.30    172.680  69.270  7.6585  65.899  2.4193  3.370720       8.031550  
1 1 1 -6  22  31 o 51.276  4.6017  1475.60    252.844  1474.03    520.717  1476.09    289.229  48.138  10.299  50.991  5.3151  -2.853291      11.58930  
1 1 1 -6  22  32 o 17.142  7.1554  66.469     221.365  337.594    460.585  -14.9716   252.432  26.309  10.571  16.660  7.3046  9.648758       12.84949  
1 1 1 -6  22  33 o 30.750  1.3594  514.521    45.276   257.418    476.826  516.860    45.481   24.226  10.326  30.820  1.3625  -6.593790      10.41521  
1 1 1 -6  22  34 o 19.120  9.1965  -395.5302  559.116  0.0000     0.0000   -395.5302  559.116  ?       ?       19.120  9.1965  0.000000       9.196507  
1 1 1 -6  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  23  1  o 584.319 13.655  185430.00  8641.72  199376.50  12221.87 171486.30  12220.60 605.149 18.647  560.985 20.113  44.16327       27.42675  
1 1 1 -6  23  2  o 525.597 10.185  149839.20  5798.19  155683.80  10045.11 146919.00  7100.48  534.956 17.337  520.234 12.601  14.72205       21.43259  
1 1 1 -6  23  3  o 426.895 7.1745  98766.93   3317.29  99973.77   4691.14  97559.88   4691.56  429.337 10.088  424.114 10.213  5.222748       14.35553  
1 1 1 -6  23  4  o 564.668 13.212  173114.50  8080.59  175510.09  11430.10 170720.91  11425.25 567.855 18.584  560.015 18.836  7.839661       26.46085  
1 1 1 -6  23  5  o 468.673 9.0100  119096.20  4573.69  117226.50  5601.83  122834.70  7921.23  464.833 11.127  475.429 15.383  -10.59528      18.98507  
1 1 1 -6  23  6  o 433.107 7.3259  101667.70  3436.60  99326.57   4859.66  104009.70  4860.51  427.909 10.485  437.897 10.248  -9.987701      14.66169  
1 1 1 -6  23  7  o 570.894 9.3792  176748.59  5799.50  168219.50  8201.10  185280.30  8202.36  556.523 13.606  584.141 12.964  -27.61823      18.79330  
1 1 1 -6  23  8  o 323.279 5.6547  56627.43   1979.96  60023.08   2800.74  53234.97   2799.43  332.751 7.7711  313.351 8.2484  19.40009       11.33250  
1 1 1 -6  23  9  o 459.108 8.7708  114307.90  4361.40  104805.70  7551.94  119063.30  5342.39  438.915 15.886  468.417 10.530  -29.50153      19.05885  
1 1 1 -6  23  10 o 835.757 15.911  380204.59  14403.02 380564.59  17640.30 379484.59  24945.99 835.085 19.503  830.669 27.727  4.416138       33.89925  
1 1 1 -6  23  11 o 514.487 8.5264  143597.59  4751.26  141476.20  6719.81  145718.41  6718.78  510.213 12.160  517.833 11.979  -7.619965      17.06956  
1 1 1 -6  23  12 o 237.372 5.4559  30540.61   1402.72  29616.43   1810.01  31930.29   2219.52  233.680 7.1514  242.565 8.4481  -8.885071      11.06857  
1 1 1 -6  23  13 o 211.365 4.0361  24207.95   923.983  23637.64   1307.58  24776.74   1305.84  208.797 5.7819  213.775 5.6398  -4.977951      8.077003  
1 1 1 -6  23  14 o 209.173 4.6171  23716.83   1046.04  23615.33   1809.13  23767.80   1282.07  208.530 8.0100  209.349 5.6542  -0.8189850     9.804563  
1 1 1 -6  23  15 o 181.144 3.6280  17782.27   711.811  18176.31   1421.01  17650.28   822.432  182.956 7.1710  180.449 4.2080  2.507629       8.314476  
1 1 1 -6  23  16 o 620.653 11.183  210174.20  7517.60  209785.80  21601.12 210227.70  8018.89  602.032 33.256  620.412 11.933  -18.38007      35.33252  
1 1 1 -6  23  17 o 454.551 7.6656  112349.70  3773.95  110033.90  7546.44  113122.10  4358.07  447.007 15.587  455.809 8.8276  -8.802307      17.91298  
1 1 1 -6  23  18 o 166.551 3.4748  15036.28   626.831  16021.65   1250.43  14705.55   724.427  171.700 6.7239  164.680 4.0615  7.019852       7.855306  
1 1 1 -6  23  19 o 140.677 3.2463  10727.11   494.635  11431.07   984.287  10489.28   572.125  145.040 6.2656  139.086 3.7979  5.954330       7.326779  
1 1 1 -6  23  20 o 160.340 3.4989  13939.45   607.627  14384.98   1203.70  13787.10   703.894  162.607 6.8346  159.427 4.0764  3.179794       7.957894  
1 1 1 -6  23  21 o 222.627 4.1905  26895.34   1010.45  27821.19   2019.30  26586.07   1167.08  225.766 8.2579  221.264 4.8699  4.502045       9.586936  
1 1 1 -6  23  22 o 107.536 2.9087  6270.14    338.782  6487.29    644.917  6187.38    398.140  109.216 5.4519  106.798 3.4419  2.417931       6.447474  
1 1 1 -6  23  23 o 201.833 3.9221  22125.47   857.386  22781.66   1711.63  21905.67   990.630  203.944 7.7487  200.726 4.5566  3.217682       8.989163  
1 1 1 -6  23  24 o 217.310 4.1681  25692.27   981.039  25373.15   1958.62  25799.14   1133.47  214.436 8.4330  217.596 4.8094  -3.159851      9.708025  
1 1 1 -6  23  25 o 112.058 2.9228  6821.73    354.739  6209.44    679.205  7051.40    415.984  106.233 5.9266  113.869 3.3729  -7.635887      6.819125  
1 1 1 -6  23  26 o 46.601  1.9866  1178.31    100.271  1227.84    108.691  895.278    259.819  47.564  2.1098  39.837  6.2253  7.727028       6.573116  
1 1 1 -6  23  27 o 74.556  3.4775  3032.18    280.818  3637.75    578.286  2845.31    321.236  80.630  6.6820  72.000  4.1367  8.630157       7.858828  
1 1 1 -6  23  28 o 83.253  3.3978  3785.80    306.382  3914.13    627.705  3745.67    351.038  83.234  7.0285  82.694  3.9193  0.5400391      8.047449  
1 1 1 -6  23  29 o 42.190  5.3921  1004.43    240.766  837.552    485.613  1058.83    277.240  36.834  11.187  43.099  6.1101  -6.265175      12.74701  
1 1 1 -6  23  30 f 40.021  5.5570  912.981    234.376  1043.45    484.192  873.055    267.847  40.522  10.826  38.730  6.6232  1.791969       12.69152  
1 1 1 -6  23  31 f 122.389 3.3703  8238.38    446.765  8177.07    897.675  8258.57    515.089  118.776 7.0089  122.228 3.8908  -3.451431      8.016417  
1 1 1 -6  23  32 o 41.784  2.2945  957.171    103.444  859.265    502.502  961.504    105.708  35.324  11.475  41.868  2.3404  -6.544834      11.71077  
1 1 1 -6  23  33 o 42.121  5.6228  1054.58    250.115  1423.74    509.157  937.166    287.149  44.308  10.725  38.682  7.1160  5.626251       12.87085  
1 1 1 -6  23  34 o 26.074  11.247  419.583    578.378  0.0000     0.0000   419.583    578.378  ?       ?       26.074  11.247  0.000000       11.24711  
1 1 1 -6  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  24  1  o 399.936 7.6301  86694.68   3305.15  81242.45   5721.43  89425.46   4049.12  386.793 13.657  406.107 9.2055  -19.31461      16.46987  
1 1 1 -6  24  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  24  3  o 591.686 19.691  190662.70  12619.17 190662.70  12619.17 0.0000     0.0000   591.686 19.691  ?       ?       0.000000       19.69108  
1 1 1 -6  24  4  o 499.494 8.4979  135256.41  4597.42  134308.59  6501.52  136204.20  6501.96  497.475 12.066  500.981 11.983  -3.505554      17.00526  
1 1 1 -6  24  5  o 546.237 9.1532  161786.91  5415.34  158434.91  7658.10  165139.50  7658.80  540.199 13.089  551.539 12.821  -11.33990      18.32178  
1 1 1 -6  24  6  o 406.605 6.9024  89599.40   3039.80  87690.20   4298.48  91509.38   4299.37  402.096 9.8699  410.772 9.6635  -8.675690      13.81298  
1 1 1 -6  24  7  o 888.677 29.459  433665.31  28355.31 433665.31  28355.31 0.0000     0.0000   888.677 29.459  ?       ?       0.000000       29.45916  
1 1 1 -6  24  8  o 732.290 13.905  291367.59  11028.58 284679.31  19100.41 294712.69  13507.78 721.352 24.447  735.892 16.947  -14.54022      29.74669  
1 1 1 -6  24  9  o 562.726 10.762  171858.30  6559.23  165908.91  11359.14 174834.41  8034.02  551.642 19.012  567.287 13.076  -15.64490      23.07400  
1 1 1 -6  24  10 o 500.464 10.869  135976.70  5891.75  133576.00  7690.34  139388.00  9167.27  495.574 14.327  505.845 16.732  -10.27112      22.02816  
1 1 1 -6  24  11 o 526.743 8.7370  150548.41  4984.60  153606.00  7049.99  147492.00  7048.60  531.572 12.245  520.845 12.495  10.72699       17.49443  
1 1 1 -6  24  12 o 629.255 12.006  215377.59  8182.52  214189.70  10021.58 217753.41  14172.35 626.815 14.761  629.971 20.771  -3.156433      25.48175  
1 1 1 -6  24  13 o 269.761 4.8481  39443.69   1416.53  39648.84   2003.94  39238.81   2002.61  270.345 6.8438  268.941 6.8749  1.403625       9.700624  
1 1 1 -6  24  14 o 186.496 3.8759  18848.38   782.903  18723.78   1177.37  18947.14   1048.23  185.797 5.8507  186.934 5.1772  -1.136383      7.812422  
1 1 1 -6  24  15 o 290.351 5.1370  45719.51   1615.50  44277.68   3225.16  46202.45   1866.55  285.106 10.444  291.814 5.9056  -6.708710      11.99821  
1 1 1 -6  24  16 o 171.202 3.6584  15886.09   678.381  15372.07   1608.16  15997.36   748.210  167.842 8.8778  171.786 4.0213  -3.944656      9.746095  
1 1 1 -6  24  17 o 489.586 8.2232  130424.00  4360.56  125977.20  8719.54  131907.00  5035.44  477.562 16.858  491.988 9.4496  -14.42651      19.32539  
1 1 1 -6  24  18 o 253.785 4.6245  34938.33   1271.16  35340.81   2537.27  34803.46   1468.79  254.610 9.2007  253.222 5.3553  1.388077       10.64578  
1 1 1 -6  24  19 o 422.068 7.2149  96912.23   3298.26  98442.99   6593.94  96401.45   3809.00  422.535 14.408  420.627 8.3607  1.907562       16.65835  
1 1 1 -6  24  20 o 142.186 3.3095  10960.46   509.672  10972.03   986.181  10956.25   595.343  142.046 6.4100  142.130 3.8673  -0.8372498E-01 7.486277  
1 1 1 -6  24  21 o 28.914  2.3190  455.955    72.015   655.196    364.996  447.884    73.459   34.114  9.5177  28.649  2.3891  5.464413       9.812973  
1 1 1 -6  24  22 o 72.427  3.1683  2845.01    248.539  2516.71    491.868  2957.58    288.013  67.605  6.8101  73.830  3.6017  -6.225288      7.703897  
1 1 1 -6  24  23 o 111.815 3.0098  6782.92    364.509  6377.53    693.147  6937.88    428.551  107.983 5.9495  113.050 3.4999  -5.066811      6.902587  
1 1 1 -6  24  24 o 34.865  4.8529  675.058    178.289  930.799    352.098  586.875    206.754  40.364  8.3301  32.230  6.1470  8.133530       10.35261  
1 1 1 -6  24  25 o 111.360 3.0632  6739.88    369.465  7435.69    723.413  6494.34    429.739  116.449 5.7356  109.234 3.6323  7.214561       6.789021  
1 1 1 -6  24  26 o 81.777  2.8382  3636.14    251.393  4051.74    607.964  3550.42    276.102  85.330  6.6303  80.770  3.1561  4.560043       7.343127  
1 1 1 -6  24  27 o 202.071 4.3366  22367.79   949.127  24682.02   2357.48  21920.12   1036.87  206.307 10.586  199.788 4.7917  6.519348       11.61987  
1 1 1 -6  24  28 o 116.678 3.2671  7431.99    412.875  8034.02    836.686  7238.21    474.697  119.760 6.4743  114.981 3.8117  4.779335       7.513083  
1 1 1 -6  24  29 o 44.445  2.5000  1079.39    119.856  1257.39    494.718  1068.29    123.536  45.205  10.330  44.200  2.5918  1.004696       10.65011  
1 1 1 -6  24  30 o 27.429  7.4964  448.294    229.056  127.944    458.980  554.540    264.325  24.141  10.203  30.355  7.9465  -6.213913      12.93264  
1 1 1 -6  24  31 o 93.001  3.4278  4760.00    345.282  4182.45    697.473  4947.49    397.394  84.206  7.7338  94.604  3.8783  -10.39791      8.651772  
1 1 1 -6  24  32 o 46.634  5.0307  1244.52    250.076  991.165    511.014  1324.31    286.760  37.669  11.484  47.798  5.6483  -10.12881      12.79780  
1 1 1 -6  24  33 o 34.295  7.6937  760.220    278.750  0.0000     0.0000   760.220    278.750  ?       ?       34.295  7.6937  0.000000       7.693666  
1 1 1 -6  24  34 o 29.050  12.475  674.901    705.491  0.0000     0.0000   674.901    705.491  ?       ?       29.050  12.475  0.000000       12.47522  
1 1 1 -6  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  25  2  o 347.946 6.1703  65599.77   2325.34  65921.59   3288.32  65277.86   3288.72  348.703 8.7066  346.995 8.7505  1.708679       12.34409  
1 1 1 -6  25  3  o 530.407 10.100  152581.00  5802.05  150261.30  10050.83 153740.41  7105.55  525.561 17.657  532.225 12.326  -6.664429      21.53358  
1 1 1 -6  25  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  25  5  o 503.317 8.3139  137333.41  4532.27  136914.20  6409.28  137752.70  6409.92  502.284 11.781  503.823 11.746  -1.538940      16.63654  
1 1 1 -6  25  6  o 70.447  2.6011  2687.86    198.466  2952.89    279.102  2416.78    282.271  73.835  3.4900  66.680  3.9258  7.155334       5.252809  
1 1 1 -6  25  7  o 641.806 10.397  223468.91  7227.51  222113.41  10220.98 224824.41  10221.50 639.283 14.761  643.186 14.673  -3.903320      20.81313  
1 1 1 -6  25  8  o 708.139 13.395  272423.50  10274.02 268690.00  17793.15 274290.91  12583.74 701.002 23.435  710.012 16.363  -9.010132      28.58245  
1 1 1 -6  25  9  o 197.000 5.3733  21028.72   1146.52  20899.88   1620.04  21158.00   1622.81  196.340 7.6181  197.550 7.5844  -1.209686      10.74978  
1 1 1 -6  25  10 o 160.549 3.8544  13963.65   670.251  14349.34   822.839  13203.14   1155.44  162.739 4.6682  156.061 6.8357  6.677811       8.277646  
1 1 1 -6  25  11 o 368.832 7.3142  73776.08   2921.88  73143.05   5065.36  74091.74   3576.97  366.713 12.753  369.490 8.9380  -2.776855      15.57334  
1 1 1 -6  25  12 o 333.627 7.4837  60386.23   2704.26  60727.18   3512.68  59890.13   4237.22  334.365 9.6994  331.815 11.790  2.549408       15.26709  
1 1 1 -6  25  13 o 228.689 4.2745  28342.58   1058.78  27815.63   1498.35  28868.11   1496.32  226.470 6.1085  230.721 5.9878  -4.251312      8.553792  
1 1 1 -6  25  14 o 150.913 3.3966  12340.49   555.196  11977.49   819.454  12648.51   754.852  148.627 5.0905  152.752 4.5625  -4.124908      6.835885  
1 1 1 -6  25  15 o 217.083 4.3296  25546.94   1018.00  24456.87   2599.37  25744.42   1106.38  211.459 11.391  217.902 4.6878  -6.442169      12.31825  
1 1 1 -6  25  16 o 392.976 6.7171  83870.57   2859.01  86619.87   5714.72  82952.73   3301.94  397.729 13.266  390.626 7.8044  7.102997       15.39133  
1 1 1 -6  25  17 o 261.378 5.4133  37075.71   1532.49  35900.00   3758.40  37310.16   1678.35  255.425 13.635  262.150 5.9110  -6.725479      14.86077  
1 1 1 -6  25  18 o 127.577 3.1068  8821.05    429.296  9210.06    859.812  8691.87    495.473  130.218 6.0963  126.622 3.6128  3.595070       7.086356  
1 1 1 -6  25  19 o 225.837 4.2541  27664.48   1040.56  26940.72   2077.35  27906.91   1202.27  222.311 8.6274  226.765 4.8950  -4.454010      9.919301  
1 1 1 -6  25  20 o 217.181 4.4291  25595.09   1041.86  26144.03   2641.53  25493.96   1133.78  218.036 11.224  216.710 4.8304  1.325378       12.21894  
1 1 1 -6  25  21 o 167.933 3.5116  15295.15   638.729  14864.28   1277.48  15438.77   737.537  165.169 7.1409  168.679 4.0369  -3.510910      8.203038  
1 1 1 -6  25  22 o 188.439 3.7978  19272.36   775.137  18389.85   1545.73  19568.84   895.930  183.434 7.7801  189.818 4.3578  -6.383209      8.917388  
1 1 1 -6  25  23 o 43.572  4.2016  1041.32    195.827  571.384    375.372  1217.04    229.538  32.122  9.8517  47.089  4.5576  -14.96680      10.85482  
1 1 1 -6  25  24 o 154.296 3.5196  12938.19   588.184  13173.33   1320.44  12879.98   656.962  154.403 7.9224  153.880 3.9417  0.5232391      8.848835  
1 1 1 -6  25  25 o 91.949  3.0170  4595.16    300.461  6346.04    655.884  4130.14    338.015  107.429 5.6568  87.109  3.5826  20.32030       6.695845  
1 1 1 -6  25  26 o 80.002  3.2335  3484.51    280.183  4750.83    602.572  3135.20    316.475  92.622  6.0396  75.703  3.8727  16.91937       7.174579  
1 1 1 -6  25  27 o 39.252  2.3532  840.261    99.584   793.796    107.098  1137.00    270.648  38.116  2.6099  45.036  5.6745  -6.919731      6.245915  
1 1 1 -6  25  28 o ?       ?       -211.3202  31.076   -218.9272  31.252   458.390    293.232  ?       ?       28.186  8.7178  0.000000       8.717771  
1 1 1 -6  25  29 o 30.495  6.7933  544.682    218.630  1242.69    455.868  336.176    249.153  45.247  9.5994  24.502  8.0857  20.74513       12.55098  
1 1 1 -6  25  30 o 31.378  6.9915  583.530    231.530  767.369    464.955  522.914    266.986  34.915  11.007  29.454  8.1112  5.460844       13.67252  
1 1 1 -6  25  31 o 72.893  2.8280  2909.65    223.275  2408.39    588.365  2993.98    241.326  62.895  8.8842  73.885  3.0156  -10.99019      9.382081  
1 1 1 -6  25  32 o 27.577  7.5528  471.964    232.230  222.854    480.253  547.989    265.311  24.754  10.448  29.507  8.0693  -4.752474      13.20158  
1 1 1 -6  25  33 o 41.474  6.5729  1058.72    285.415  0.0000     0.0000   1058.72    285.415  ?       ?       41.474  6.5729  0.000000       6.572896  
1 1 1 -6  25  34 o 25.702  11.630  321.610    694.156  0.0000     0.0000   321.610    694.156  ?       ?       25.702  11.630  0.000000       11.62986  
1 1 1 -6  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  26  1  f 705.462 16.462  270574.69  12578.25 264681.91  17788.15 276467.59  17788.51 696.308 23.586  711.763 23.075  -15.45563      32.99620  
1 1 1 -6  26  2  o 346.911 6.7356  65217.36   2530.84  66647.90   3100.62  62361.71   4380.76  350.641 8.1642  338.993 11.931  11.64850       14.45723  
1 1 1 -6  26  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  26  4  f 637.091 10.649  220180.50  7348.40  219659.91  10391.94 220701.30  10392.48 635.796 15.091  637.306 15.056  -1.510315      21.31672  
1 1 1 -6  26  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  26  6  o 223.397 4.2439  27034.60   1026.86  26590.59   1451.50  27479.46   1452.90  221.522 6.0497  225.196 5.9567  -3.674103      8.490012  
1 1 1 -6  26  7  o 791.511 14.777  340522.19  12668.50 342030.00  15515.98 337506.81  21941.67 792.542 18.075  785.061 25.805  7.480957       31.50542  
1 1 1 -6  26  8  o 538.130 10.410  157131.91  6067.60  160159.00  10507.39 155617.50  7431.97  542.254 17.890  535.260 12.819  6.993774       22.00925  
1 1 1 -6  26  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  26  10 f 169.352 3.4336  15535.93   629.814  15864.25   894.501  15213.15   886.930  171.109 4.8266  167.559 4.8871  3.549240       6.868729  
1 1 1 -6  26  11 o 301.527 6.1388  49289.13   2004.86  47746.65   3473.99  50059.39   2454.92  296.443 10.820  303.798 7.4607  -7.354736      13.14266  
1 1 1 -6  26  12 o 54.874  3.7324  1638.98    220.510  1536.81    263.611  1877.07    402.412  53.050  4.6344  58.478  6.4614  -5.427834      7.951543  
1 1 1 -6  26  13 o 79.463  2.8437  3420.71    244.750  3636.11    348.325  3210.65    343.973  81.915  3.9260  76.859  4.1474  5.056175       5.710881  
1 1 1 -6  26  14 o 190.190 3.7991  19602.90   782.596  19105.97   1109.99  20094.08   1103.55  187.693 5.4601  192.494 5.2931  -4.800751      7.604548  
1 1 1 -6  26  15 o 310.139 5.8083  52188.34   1951.08  50170.84   5320.24  52501.83   2097.20  301.697 16.342  311.025 6.2255  -9.327911      17.48790  
1 1 1 -6  26  16 o 70.794  2.9484  2715.68    226.077  2784.12    442.797  2691.54    262.930  71.391  5.7760  70.471  3.4447  0.9198685      6.725198  
1 1 1 -6  26  17 o 282.009 5.0399  43149.18   1539.41  42776.59   3076.62  43273.62   1777.98  279.997 10.145  282.329 5.8144  -2.331482      11.69302  
1 1 1 -6  26  18 o 230.343 4.9172  28789.65   1226.78  28716.10   2949.70  28805.04   1348.98  228.656 11.952  230.357 5.4067  -1.701599      13.11792  
1 1 1 -6  26  19 o 306.853 5.8016  51145.89   1928.20  52690.70   3588.65  50518.90   2286.25  310.341 10.676  304.772 6.9259  5.568817       12.72607  
1 1 1 -6  26  20 o 450.142 7.6381  110404.70  3723.95  112258.20  7446.37  109786.50  4300.35  449.817 15.284  448.412 8.8543  1.404907       17.66358  
1 1 1 -6  26  21 f 160.141 3.5005  13909.18   607.163  14306.71   1201.79  13772.93   703.554  162.068 6.8464  159.312 4.0774  2.756470       7.968539  
1 1 1 -6  26  22 o 308.074 5.4351  51637.23   1813.57  55461.94   3625.19  50360.48   2094.51  317.256 10.550  303.982 6.3616  13.27408       12.31955  
1 1 1 -6  26  23 o 155.135 3.3976  13065.67   570.891  12742.99   1135.73  13174.76   660.386  152.629 6.8702  155.719 3.9155  -3.089828      7.907603  
1 1 1 -6  26  24 o 69.918  3.1146  2655.02    235.862  2467.06    464.059  2720.48    273.875  66.774  6.4988  70.651  3.5908  -3.877365      7.424850  
1 1 1 -6  26  25 o 123.540 3.0865  8297.42    412.999  10810.02   836.150  7486.62    474.983  140.420 5.4978  117.243 3.7404  23.17712       6.649538  
1 1 1 -6  26  26 o 183.551 3.8158  18382.72   758.590  18604.78   1514.49  18308.35   876.463  182.602 7.6576  182.944 4.4233  -0.3419800     8.843288  
1 1 1 -6  26  27 o 178.264 3.8877  17376.23   750.622  18383.39   1437.51  16998.67   880.141  181.152 7.3265  175.970 4.6179  5.182632       8.660387  
1 1 1 -6  26  28 o 55.914  2.5056  1701.40    151.743  1689.36    178.536  1732.74    287.995  55.582  2.9765  55.867  4.8063  -0.2851143     5.653262  
1 1 1 -6  26  29 o 18.520  7.2049  131.834    207.683  -390.1476  432.930  287.862    236.697  18.212  8.5648  23.057  7.8841  -4.845932      11.64106  
1 1 1 -6  26  30 o 56.748  4.1958  1789.90    256.059  1643.50    523.282  1835.99    293.612  51.637  9.7129  57.263  4.7776  -5.626232      10.82431  
1 1 1 -6  26  31 o 43.995  2.2595  1058.55    107.307  999.112    500.606  1061.42    109.860  38.866  11.249  44.045  2.3110  -5.178844      11.48361  
1 1 1 -6  26  32 o 37.769  6.2989  849.685    248.598  448.767    496.185  984.053    287.252  27.958  11.058  40.415  6.8039  -12.45691      12.98374  
1 1 1 -6  26  33 o 31.744  1.3915  548.693    47.842   0.0000     0.0000   548.693    47.842   ?       ?       31.744  1.3915  0.000000       1.391459  
1 1 1 -6  26  34 o 25.355  11.525  293.483    691.044  0.0000     0.0000   293.483    691.044  ?       ?       25.355  11.525  0.000000       11.52458  
1 1 1 -6  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  1  o 235.640 4.7785  30080.39   1219.58  30020.06   1859.55  30125.93   1615.57  235.352 7.2949  235.789 6.3261  -0.4373322     9.655833  
1 1 1 -6  27  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  3  o 506.363 12.312  139169.30  6752.19  139169.30  6752.19  0.0000     0.0000   506.363 12.312  ?       ?       0.000000       12.31155  
1 1 1 -6  27  4  o 236.702 4.3997  30350.93   1127.96  30661.75   1594.82  30039.84   1595.53  237.877 6.1900  235.450 6.2566  2.426254       8.801168  
1 1 1 -6  27  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  8  o 406.844 7.9345  89744.29   3496.36  87344.59   6052.90  90945.91   4283.21  400.878 13.941  409.443 9.6584  -8.565674      16.95951  
1 1 1 -6  27  9  o 649.854 12.350  229432.30  8692.58  228700.20  10646.38 230896.30  15055.47 648.294 15.162  649.862 21.390  -1.568176      26.21840  
1 1 1 -6  27  10 o 198.259 3.7424  21293.90   803.633  21480.27   1137.32  21108.07   1135.69  199.090 5.2743  197.357 5.3130  1.733368       7.486377  
1 1 1 -6  27  11 o 150.863 3.8013  12330.74   621.129  11565.79   1078.82  12710.04   759.672  146.040 6.8204  153.151 4.5797  -7.111130      8.215289  
1 1 1 -6  27  12 o 188.857 4.2873  19327.96   876.983  18737.82   1074.52  20505.32   1517.73  185.919 5.3361  194.410 7.2079  -8.491364      8.968101  
1 1 1 -6  27  13 o 115.776 2.9325  7261.68    367.734  7211.05    522.757  7311.27    517.394  115.350 4.1842  116.150 4.1127  -0.8003006     5.867031  
1 1 1 -6  27  14 o 270.063 4.8336  39544.15   1413.85  39459.15   1999.09  39629.21   1999.89  269.613 6.8458  270.194 6.8338  -0.5814819     9.672888  
1 1 1 -6  27  15 o 329.629 8.2144  59070.20   2932.74  58168.88   5999.03  59353.26   3361.85  324.587 17.125  330.220 9.3995  -5.633118      19.53460  
1 1 1 -6  27  16 o 165.945 3.4670  14925.08   623.148  15675.03   1243.41  14673.55   720.106  169.875 6.7580  164.518 4.0412  5.356781       7.874126  
1 1 1 -6  27  17 o 187.130 3.7297  18983.31   755.934  18960.82   1508.05  18990.87   873.617  186.731 7.4564  187.135 4.3102  -0.4032745     8.612500  
1 1 1 -6  27  18 o 153.370 3.3688  12750.36   559.609  13657.13   1108.49  12440.21   648.287  158.533 6.4557  151.466 3.9517  7.066452       7.569104  
1 1 1 -6  27  19 o 209.695 4.2915  23853.20   974.685  26466.99   1832.01  22821.25   1151.12  220.478 7.6717  205.029 5.1837  15.44843       9.258820  
1 1 1 -6  27  20 o 166.175 3.6387  14975.90   654.903  13534.95   1509.37  15310.09   726.891  157.176 8.9029  167.995 3.9949  -10.81908      9.758068  
1 1 1 -6  27  21 o 137.055 3.2304  10186.12   479.532  9279.20    951.243  10495.12   555.247  130.346 6.7611  139.090 3.6857  -8.744568      7.700462  
1 1 1 -6  27  22 o 167.885 3.5365  15295.04   643.073  15378.74   1272.88  15266.36   745.164  167.846 7.0017  167.669 4.1033  0.1770935      8.115488  
1 1 1 -6  27  23 o 158.185 3.4614  13587.33   593.040  13780.16   1172.30  13521.01   687.499  158.694 6.8204  157.725 4.0244  0.9690399      7.919204  
1 1 1 -6  27  24 o 95.304  2.8615  4931.29    295.373  4811.27    605.807  4968.73    338.310  93.548  6.0108  95.628  3.2663  -2.080376      6.840971  
1 1 1 -6  27  25 o 86.256  3.1388  4045.93    293.241  4206.15    626.866  4001.04    331.781  87.068  6.6988  85.724  3.5734  1.343765       7.592258  
1 1 1 -6  27  26 o 4.9258  2.3618  -52.2878   36.232   -64.1550   36.689   415.010    230.231  4.6988  2.2830  26.900  7.5782  -22.20104      7.914659  
1 1 1 -6  27  27 o 109.113 3.1272  6489.07    369.574  6952.66    777.324  6353.67    420.092  111.612 6.4578  107.857 3.5960  3.754280       7.391507  
1 1 1 -6  27  28 o 67.312  3.7354  2488.39    271.268  2415.07    544.836  2512.55    312.795  64.769  7.9324  67.488  4.3016  -2.718842      9.023660  
1 1 1 -6  27  29 o 86.576  2.9186  4093.58    273.681  4183.54    422.834  4028.73    359.032  86.907  4.5075  85.614  3.8719  1.293510       5.942148  
1 1 1 -6  27  30 o 52.960  1.7813  1524.83    102.180  1164.73    506.905  1540.08    104.321  42.586  10.934  53.221  1.8098  -10.63536      11.08248  
1 1 1 -6  27  31 o 48.778  4.7670  1342.50    248.627  599.690    508.466  1575.91    285.025  31.378  11.474  52.757  5.0497  -21.37938      12.53604  
1 1 1 -6  27  32 o 35.044  1.9222  672.068    72.679   1063.56    485.886  663.108    73.506   38.897  11.027  34.802  1.9580  4.095779       11.19954  
1 1 1 -6  27  33 o 27.796  8.5672  522.492    283.473  0.0000     0.0000   522.492    283.473  ?       ?       27.796  8.5672  0.000000       8.567219  
1 1 1 -6  27  34 o 35.268  13.453  1238.14    713.991  0.0000     0.0000   1238.14    713.991  ?       ?       35.268  13.453  0.000000       13.45285  
1 1 1 -6  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  28  1  o 772.229 17.955  324496.69  15017.50 307553.69  21237.48 341441.31  21238.43 749.794 26.151  790.421 24.808  -40.62695      36.04617  
1 1 1 -6  28  2  o 656.077 21.780  234760.09  15476.73 0.0000     0.0000   234760.09  15476.73 ?       ?       656.077 21.780  0.000000       21.77980  
1 1 1 -6  28  3  o 715.664 23.724  279740.81  18389.51 0.0000     0.0000   279740.81  18389.51 ?       ?       715.664 23.724  0.000000       23.72416  
1 1 1 -6  28  4  o 419.026 6.6082  95151.88   2999.11  94066.84   4240.74  96237.59   4242.04  416.486 9.4009  421.270 9.2970  -4.784485      13.22165  
1 1 1 -6  28  5  o 679.102 12.861  250413.59  9460.01  240346.30  16382.50 255449.80  11587.05 663.439 22.799  685.470 15.607  -22.03113      27.62882  
1 1 1 -6  28  6  o 457.251 7.6696  113338.70  3798.40  115223.20  5371.47  111453.80  5372.02  460.818 10.762  453.202 10.944  7.615265       15.34900  
1 1 1 -6  28  7  o 823.769 27.336  372390.81  24389.80 0.0000     0.0000   372390.81  24389.80 ?       ?       823.769 27.336  0.000000       27.33584  
1 1 1 -6  28  8  o 114.691 3.9773  7125.81    494.072  7039.56    695.599  7213.62    701.891  113.978 5.6347  115.378 5.6166  -1.400665      7.955892  
1 1 1 -6  28  9  o 193.072 4.2145  20195.24   881.331  20377.73   1080.55  19832.54   1523.30  193.924 5.1445  191.254 7.3537  2.669998       8.974544  
1 1 1 -6  28  10 o 337.650 5.7491  61794.55   2102.51  60561.83   2973.33  63027.38   2973.46  334.115 8.2163  340.860 8.0541  -6.745026      11.50550  
1 1 1 -6  28  11 o 382.780 7.5142  79486.53   3115.31  82853.38   5400.44  77807.37   3813.85  390.161 12.780  378.540 9.3021  11.62125       15.80652  
1 1 1 -6  28  12 o 407.765 7.9493  90254.78   3510.83  89308.56   4299.90  92147.13   6080.86  405.378 9.7933  411.087 13.657  -5.708618      16.80556  
1 1 1 -6  28  13 f 215.045 4.0357  25061.73   939.969  24925.34   1331.70  25197.14   1326.94  214.380 5.7353  215.548 5.6838  -1.168488      8.074575  
1 1 1 -6  28  14 o 180.091 3.7720  17577.08   735.752  18050.12   990.423  16994.58   1099.06  182.447 5.0120  176.997 5.7330  5.450516       7.614999  
1 1 1 -6  28  15 o 85.812  2.6868  3989.55    249.719  3955.63    333.565  4032.80    376.660  85.432  3.6049  86.253  4.0318  -0.8210068     5.408392  
1 1 1 -6  28  16 o 431.412 7.3052  101154.30  3413.47  99294.52   6825.54  101774.50  3941.80  425.059 14.826  432.480 8.4151  -7.420288      17.04751  
1 1 1 -6  28  17 o 305.966 5.3987  50808.39   1789.11  50636.52   3574.71  50865.84   2066.56  304.441 10.841  306.027 6.2347  -1.585724      12.50590  
1 1 1 -6  28  18 o 519.872 8.7201  147288.09  4910.09  143523.00  9818.43  148543.80  5670.02  508.128 17.840  521.551 10.037  -13.42325      20.46994  
1 1 1 -6  28  19 o 298.161 5.2777  48269.27   1704.39  48481.94   3406.34  48198.25   1968.53  297.659 10.566  297.812 6.1028  -0.1529541     12.20159  
1 1 1 -6  28  20 o 249.935 4.5860  33907.51   1241.46  31844.85   2478.75  34598.14   1434.31  241.305 9.4841  252.378 5.2471  -11.07309      10.83888  
1 1 1 -6  28  21 o 90.856  3.1145  4476.13    306.482  4826.63    593.034  4348.41    357.996  94.014  5.8530  89.527  3.6919  4.487190       6.920087  
1 1 1 -6  28  22 o 109.646 3.0740  6521.12    365.062  7671.58    721.947  6125.89    423.147  118.703 5.6153  106.235 3.6775  12.46849       6.712360  
1 1 1 -6  28  23 o 26.925  6.0843  411.572    173.255  429.988    329.118  404.512    203.775  28.399  9.2893  26.692  6.9723  1.707563       11.61478  
1 1 1 -6  28  24 o 122.160 3.0482  8105.87    403.316  6608.42    801.673  8613.31    466.675  109.451 6.7961  125.876 3.4229  -16.42561      7.609432  
1 1 1 -6  28  25 o 17.699  6.5126  138.327    164.178  -76.3098   426.840  175.594    177.861  21.653  9.4960  19.147  6.8142  2.505960       11.68789  
1 1 1 -6  28  26 o 75.921  2.7623  3134.24    227.145  3119.97    323.811  3148.08    318.714  75.482  3.9748  75.839  3.8932  -0.3574448     5.563759  
1 1 1 -6  28  27 o 64.850  3.8097  2307.52    266.417  1916.18    536.290  2435.74    306.975  57.398  8.9158  66.521  4.2834  -9.123478      9.891326  
1 1 1 -6  28  28 o 72.681  2.7636  2878.44    217.557  2246.18    565.347  2988.35    235.708  62.071  8.6438  74.026  2.9398  -11.95481      9.130083  
1 1 1 -6  28  29 f 67.167  2.6970  2461.29    196.208  2471.21    251.040  2445.72    314.537  67.055  3.4684  66.414  4.3975  0.6410446      5.600672  
1 1 1 -6  28  30 o 43.892  5.0681  1089.41    236.505  658.889    484.377  1224.18    271.006  32.733  11.275  46.392  5.5006  -13.65820      12.54524  
1 1 1 -6  28  31 o 35.408  6.3012  736.951    232.796  291.659    478.273  875.204    266.496  26.226  10.687  38.510  6.6284  -12.28344      12.57608  
1 1 1 -6  28  32 o 44.261  5.2725  1136.27    247.782  598.909    507.430  1304.52    283.935  30.060  11.371  47.229  5.6635  -17.16951      12.70325  
1 1 1 -6  28  33 o 17.069  7.5157  15.165     269.737  0.0000     0.0000   15.165     269.737  ?       ?       17.069  7.5157  0.000000       7.515704  
1 1 1 -6  28  34 o 23.048  10.800  5.2256     677.777  0.0000     0.0000   5.2256     677.777  ?       ?       23.048  10.800  0.000000       10.79988  
1 1 1 -6  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  29  1  o 77.508  2.3851  3253.62    200.225  3426.06    284.042  3083.30    282.289  79.532  3.2974  75.448  3.4544  4.083725       4.775538  
1 1 1 -6  29  2  o 418.560 7.8635  94965.34   3564.88  91009.86   6171.22  96946.29   4367.25  409.338 13.919  422.809 9.5366  -13.47073      16.87291  
1 1 1 -6  29  3  o 364.344 6.2950  71933.20   2484.15  71662.24   3512.73  72204.29   3513.50  363.544 8.9211  364.918 8.8894  -1.373871      12.59396  
1 1 1 -6  29  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  29  5  o 417.810 7.0865  94613.90   3206.84  94433.96   4534.77  94793.89   4535.55  417.239 10.035  418.035 10.017  -0.7955322     14.17877  
1 1 1 -6  29  6  o 440.001 8.4519  104974.30  4027.87  98593.48   6972.55  108170.10  4934.51  425.842 15.117  446.523 10.203  -20.68066      18.23825  
1 1 1 -6  29  7  o 599.370 11.506  195024.50  7469.47  193540.80  12934.85 195766.80  9149.13  595.610 20.051  600.147 14.075  -4.536682      24.49773  
1 1 1 -6  29  8  o 440.440 8.4614  105207.20  4036.46  104940.70  4943.99  105740.10  6990.35  439.721 10.381  440.917 14.638  -1.196045      17.94498  
1 1 1 -6  29  9  o 364.108 6.2283  71861.61   2456.23  69889.27   3473.13  73835.09   3474.14  358.904 8.9345  368.915 8.6946  -10.01068      12.46687  
1 1 1 -6  29  10 o 261.439 4.7067  37038.00   1332.79  37672.10   1885.90  36405.30   1883.80  263.590 6.6057  259.115 6.7123  4.474854       9.417559  
1 1 1 -6  29  11 o 421.161 9.1483  96319.13   4173.08  98458.04   6512.69  94829.24   5435.52  425.012 14.148  417.480 12.021  7.531281       18.56506  
1 1 1 -6  29  12 o 304.169 5.2113  50156.50   1716.83  53185.19   2430.48  47140.32   2425.46  313.071 7.1677  294.707 7.5986  18.36420       10.44579  
1 1 1 -6  29  13 o 145.070 3.2132  11402.65   504.881  10997.07   717.850  11799.67   710.229  142.430 4.6533  147.542 4.4444  -5.112427      6.434750  
1 1 1 -6  29  14 o 194.991 3.8048  20606.48   803.550  21038.43   1137.24  20175.83   1135.54  196.951 5.3312  192.865 5.4360  4.085632       7.613912  
1 1 1 -6  29  15 o 227.301 4.4894  28013.90   1105.24  27412.54   1681.28  28471.55   1466.70  224.660 6.9094  229.047 5.9122  -4.387177      9.093625  
1 1 1 -6  29  16 o 327.146 6.0686  58105.46   2150.32  62322.04   3998.76  56390.11   2550.48  337.856 10.928  322.098 7.3108  15.75833       13.14758  
1 1 1 -6  29  17 o 162.464 3.4347  14306.80   604.382  14419.04   1206.34  14269.18   698.348  162.883 6.8379  162.225 3.9745  0.6576233      7.909097  
1 1 1 -6  29  18 o 171.594 3.5752  15962.89   664.471  13020.49   1558.63  16616.45   734.568  154.209 9.3762  175.055 3.8742  -20.84579      10.14512  
1 1 1 -6  29  19 o 182.676 3.8310  18097.19   757.993  17258.07   1817.82  18273.80   833.953  177.507 9.4895  183.540 4.1951  -6.032669      10.37538  
1 1 1 -6  29  20 o 261.520 4.7612  37131.92   1348.62  39749.72   2694.90  36257.30   1557.70  269.646 9.2274  258.302 5.5678  11.34421       10.77705  
1 1 1 -6  29  21 o 150.642 3.3468  12308.30   546.063  12222.84   1085.38  12337.27   631.854  149.776 6.6906  150.781 3.8690  -1.004700      7.728772  
1 1 1 -6  29  22 o 125.858 3.1917  8593.86    435.082  8683.16    853.882  8562.55    505.645  126.189 6.2475  125.589 3.7173  0.6002808      7.269770  
1 1 1 -6  29  23 o 69.738  2.5724  2638.07    194.301  2722.76    271.566  2549.25    278.116  70.708  3.5573  68.388  3.7693  2.320328       5.182855  
1 1 1 -6  29  24 o 68.811  3.1602  2572.84    235.526  2685.66    456.275  2531.86    274.996  69.728  6.1030  68.113  3.7419  1.614769       7.158819  
1 1 1 -6  29  25 f 73.402  3.1651  2930.84    251.630  3748.18    558.635  2722.79    281.841  82.236  6.3202  70.597  3.6988  11.63937       7.322980  
1 1 1 -6  29  26 o 19.122  7.2329  150.714    205.301  348.801    417.591  87.576     235.760  27.625  10.344  18.573  7.5278  9.052259       12.79297  
1 1 1 -6  29  27 o 88.524  2.9129  4268.71    279.294  3911.24    442.793  4504.90    359.923  84.163  4.8784  90.788  3.6603  -6.625206      6.098863  
1 1 1 -6  29  28 o 19.123  7.1907  159.434    202.225  -206.0591  432.776  261.530    228.732  20.006  9.1037  22.335  7.7449  -2.329060      11.95242  
1 1 1 -6  29  29 o 47.207  4.6121  1244.38    232.809  1884.11    485.105  1052.95    265.365  56.611  8.1462  42.986  5.8517  13.62472       10.03009  
1 1 1 -6  29  30 o 22.558  1.6797  278.075    40.745   277.472    41.321   299.277    244.964  22.530  1.7060  23.260  8.0178  -0.7301178     8.197314  
1 1 1 -6  29  31 o 46.365  2.1103  1172.19    105.977  1072.00    496.221  1176.97    108.479  40.093  11.065  46.453  2.1561  -6.359856      11.27325  
1 1 1 -6  29  32 o 17.029  7.1472  69.330     222.671  531.923    461.957  -70.6782   254.143  28.675  10.849  15.693  7.0747  12.98217       12.95180  
1 1 1 -6  29  33 o 25.079  9.4825  406.269    352.787  0.0000     0.0000   406.269    352.787  ?       ?       25.079  9.4825  0.000000       9.482520  
1 1 1 -6  29  34 o 22.353  10.345  40.546     592.141  0.0000     0.0000   40.546     592.141  ?       ?       22.353  10.345  0.000000       10.34529  
1 1 1 -6  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  30  1  o 205.331 3.6367  22836.97   808.794  22346.67   1143.74  23327.38   1143.87  203.093 5.1995  207.504 5.0896  -4.410416      7.275907  
1 1 1 -6  30  2  o 86.323  2.6097  4035.91    243.998  4361.89    346.794  3716.36    343.362  89.738  3.5680  82.830  3.8273  6.907227       5.232499  
1 1 1 -6  30  3  o 369.821 7.2419  74128.26   2900.79  74546.09   3553.73  73293.99   5021.50  370.786 8.8489  367.423 12.618  3.362274       15.41174  
1 1 1 -6  30  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  30  5  o 414.836 8.3024  93304.02   3730.34  98850.41   6458.03  90526.82   4569.82  426.532 13.979  408.485 10.329  18.04654       17.38102  
1 1 1 -6  30  6  o 300.270 6.0982  48859.92   1983.29  49123.95   3430.59  48727.38   2430.64  300.883 10.527  299.812 7.4852  1.070526       12.91682  
1 1 1 -6  30  7  o 598.244 14.031  194553.00  9091.72  192036.59  12857.07 197069.91  12858.19 593.208 20.011  600.990 19.753  -7.782410      28.11817  
1 1 1 -6  30  8  o 547.435 10.322  162667.41  6120.39  163736.80  7496.26  160529.00  10599.87 548.922 12.608  542.551 18.038  6.371521       22.00786  
1 1 1 -6  30  9  o 232.629 4.2881  29320.19   1080.44  28252.92   1527.42  30389.02   1528.53  228.299 6.1771  236.780 5.9602  -8.481003      8.583715  
1 1 1 -6  30  10 o 194.568 3.7595  20509.72   792.274  21381.42   1122.86  19645.48   1118.05  198.621 5.2195  190.382 5.4221  8.239548       7.526086  
1 1 1 -6  30  11 o 93.615  3.8347  4748.39    388.822  5082.83    573.915  4464.65    528.626  96.673  5.5039  90.591  5.4123  6.082512       7.719235  
1 1 1 -6  30  12 o 231.086 4.2853  28941.04   1072.57  28485.46   1518.57  29394.55   1515.13  229.171 6.1179  232.805 6.0088  -3.634445      8.575238  
1 1 1 -6  30  13 o 209.546 4.0071  23797.61   909.457  23696.13   1286.41  23899.02   1285.92  209.016 5.6824  209.911 5.6560  -0.8943939     8.017461  
1 1 1 -6  30  14 o 141.036 3.1813  10778.08   485.969  10358.50   687.972  11195.93   686.556  138.222 4.5954  143.707 4.4109  -5.485229      6.369752  
1 1 1 -6  30  15 o 286.557 5.4907  44553.66   1704.15  43063.91   2615.08  45653.26   2246.71  281.343 8.5818  289.881 7.1558  -8.537842      11.17372  
1 1 1 -6  30  16 o 205.952 3.9498  22995.79   881.076  22641.96   1757.01  23114.65   1018.37  204.021 7.9511  206.447 4.5544  -2.425461      9.163121  
1 1 1 -6  30  17 o 430.708 7.8688  100943.60  3670.80  99464.02   10346.67 101156.70  3926.21  419.635 22.851  431.017 8.4102  -11.38150      24.34918  
1 1 1 -6  30  18 o 22.912  6.1848  294.727    157.055  277.033    301.424  301.321    184.006  24.625  8.8593  23.346  6.8380  1.279203       11.19130  
1 1 1 -6  30  19 o 221.798 4.1922  26687.15   1007.10  25381.30   2009.71  27125.02   1163.76  215.709 8.6019  223.549 4.8064  -7.840836      9.853669  
1 1 1 -6  30  20 o 194.475 3.8286  20515.89   806.442  18469.19   1606.82  21205.01   932.373  183.996 8.0629  197.666 4.3550  -13.66997      9.163815  
1 1 1 -6  30  21 o 149.114 3.4369  12061.49   555.085  11484.07   1221.60  12211.73   623.129  144.795 7.8184  150.010 3.8352  -5.215073      8.708438  
1 1 1 -6  30  22 o 232.477 4.5442  29380.45   1144.21  26621.29   2948.58  29869.60   1241.50  218.236 12.527  234.333 4.8915  -16.09711      13.44792  
1 1 1 -6  30  23 o 80.130  3.0291  3485.41    262.895  2829.55    512.851  3719.18    306.184  71.572  6.6934  82.748  3.4163  -11.17525      7.514843  
1 1 1 -6  30  24 o 94.207  3.0261  4821.65    308.767  4017.38    594.681  5118.49    361.281  85.266  6.4880  97.018  3.4381  -11.75179      7.342637  
1 1 1 -6  30  25 o 154.566 3.4345  13007.98   574.981  15393.20   1162.37  12235.26   661.593  167.022 6.4254  149.740 4.0793  17.28253       7.610931  
1 1 1 -6  30  26 o 97.792  3.1992  5208.77    338.851  5882.30    691.055  4995.56    388.800  102.929 6.2281  95.667  3.7523  7.262039       7.271087  
1 1 1 -6  30  27 o 76.422  3.3898  3188.24    280.587  3136.17    576.675  3204.40    321.168  74.434  7.2448  76.423  3.8930  -1.988556      8.224504  
1 1 1 -6  30  28 o 62.820  3.8341  2171.70    259.627  2606.71    521.908  2028.65    299.285  67.549  7.2468  60.495  4.6022  7.053627       8.584626  
1 1 1 -6  30  29 o 33.379  6.2362  645.991    217.167  432.373    459.419  707.457    246.437  28.878  10.842  34.782  6.7851  -5.904032      12.79034  
1 1 1 -6  30  30 o 31.895  1.9944  555.825    68.549   545.714    71.049   691.966    260.705  31.588  2.0884  34.046  7.2897  -2.457952      7.582989  
1 1 1 -6  30  31 o 32.836  6.7085  644.298    230.524  1034.55    477.730  525.850    263.194  39.420  10.848  29.184  8.0602  10.23630       13.51451  
1 1 1 -6  30  32 o 28.838  7.3894  524.518    231.850  908.522    482.324  409.124    264.401  35.328  11.218  25.429  8.3264  9.898891       13.97056  
1 1 1 -6  30  33 o 26.233  9.8161  465.191    375.950  0.0000     0.0000   465.191    375.950  ?       ?       26.233  9.8161  0.000000       9.816062  
1 1 1 -6  30  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  31  1  o 182.549 3.4380  18050.06   679.765  18793.13   962.788  17311.46   959.885  186.252 4.7726  178.757 4.9578  7.495453       6.881693  
1 1 1 -6  31  2  o 639.229 12.199  221812.91  8446.24  220934.20  10343.57 223571.20  14631.90 637.578 14.978  640.245 21.100  -2.666992      25.87603  
1 1 1 -6  31  3  o 595.132 11.220  192201.80  7232.20  197387.09  8856.84  181825.91  12528.69 602.821 13.565  577.553 20.028  25.26855       24.18970  
1 1 1 -6  31  4  o 201.058 4.7497  21900.26   1034.33  21243.40   1652.12  22323.67   1326.45  197.959 7.7054  202.969 6.0338  -5.010025      9.786753  
1 1 1 -6  31  5  o 546.888 10.443  162280.20  6185.56  160802.50  10710.37 163019.80  7576.91  543.338 18.200  547.874 12.769  -4.536377      22.23208  
1 1 1 -6  31  6  o 657.460 15.388  235115.91  10957.84 235333.59  15496.09 234898.20  15497.35 656.322 21.799  655.709 21.821  0.6133423      30.84400  
1 1 1 -6  31  7  o 539.770 10.365  158125.30  6059.56  158489.09  7421.98  157398.00  10493.89 540.099 12.688  537.348 18.031  2.750977       22.04714  
1 1 1 -6  31  8  o 463.175 8.8706  116389.70  4450.07  115193.70  5450.50  118780.80  7706.89  460.574 10.926  467.087 15.234  -6.513336      18.74705  
1 1 1 -6  31  9  o 423.342 6.9545  97181.11   3188.81  93233.96   4509.25  101129.70  4510.06  414.366 10.047  431.600 9.6479  -17.23431      13.92944  
1 1 1 -6  31  10 o 223.984 4.2822  27184.25   1038.86  27619.81   1581.19  26853.43   1378.01  225.689 6.4685  222.567 5.7164  3.121826       8.632420  
1 1 1 -6  31  11 o 186.125 5.2248  18779.26   1053.29  18672.49   1493.47  18884.92   1485.70  185.501 7.4333  186.558 7.3527  -1.056183      10.45542  
1 1 1 -6  31  12 o 64.062  2.8739  2223.30    199.407  2374.28    286.501  2081.43    277.712  66.068  4.0229  61.832  4.1712  4.235996       5.795008  
1 1 1 -6  31  13 o 288.947 5.4857  45282.46   1716.80  46601.47   2262.74  43493.08   2635.50  292.973 7.1308  282.870 8.6021  10.10284       11.17337  
1 1 1 -6  31  14 o 228.911 4.2810  28406.59   1061.41  28201.70   1503.18  28610.34   1498.96  227.964 6.0880  229.614 6.0273  -1.650406      8.566901  
1 1 1 -6  31  15 o 305.764 5.3633  50724.12   1776.20  47017.73   2511.00  54435.99   2512.86  294.066 7.8837  316.500 7.3303  -22.43433      10.76508  
1 1 1 -6  31  16 o 97.697  3.3118  5172.97    350.441  4446.00    600.286  5548.83    431.628  90.275  6.1764  101.167 3.9391  -10.89228      7.325641  
1 1 1 -6  31  17 o 93.772  2.9281  4765.22    297.396  4530.96    580.539  4848.57    346.284  91.154  5.9120  94.578  3.3804  -3.424400      6.810225  
1 1 1 -6  31  18 o 59.851  2.3290  1940.82    150.975  1983.13    403.067  1933.92    162.829  60.087  6.2865  59.742  2.5164  0.3445854      6.771429  
1 1 1 -6  31  19 o 179.932 3.6592  17556.50   713.119  18873.52   1423.05  17114.87   824.055  186.219 7.0555  177.610 4.2837  8.608994       8.254096  
1 1 1 -6  31  20 o 111.994 3.0660  6799.95    371.910  7000.72    734.773  6730.80    431.230  113.302 6.0090  111.401 3.5740  1.900620       6.991501  
1 1 1 -6  31  21 o 143.554 3.2824  11177.76   510.357  10584.01   1012.65  11379.92   590.887  139.341 6.7098  144.810 3.7673  -5.469177      7.695092  
1 1 1 -6  31  22 o 109.984 3.1017  6563.12    369.484  6614.87    719.822  6544.61    430.528  109.964 6.0672  109.792 3.6204  0.1719284      7.065308  
1 1 1 -6  31  23 o 59.716  3.3243  1942.80    214.157  1829.93    414.487  1983.91    250.131  57.390  6.8004  60.285  3.8509  -2.894985      7.814993  
1 1 1 -6  31  24 o 145.731 3.3400  11548.09   527.188  10416.48   1157.88  11844.02   592.123  136.950 7.8386  147.517 3.7060  -10.56723      8.670541  
1 1 1 -6  31  25 o 15.154  6.4606  1.8905     186.746  -267.4774  414.908  70.322     209.126  19.200  8.8038  17.395  7.0755  1.804951       11.29466  
1 1 1 -6  31  26 o 115.365 3.1589  7249.11    394.716  7754.14    760.414  7062.84    461.805  118.315 5.9529  113.741 3.7486  4.574371       7.034877  
1 1 1 -6  31  27 o 54.684  4.0203  1646.48    236.443  2325.95    495.323  1445.97    269.078  63.981  7.2772  51.009  4.9319  12.97177       8.790998  
1 1 1 -6  31  28 o 51.258  2.1081  1428.36    117.039  1513.00    129.851  1061.83    270.219  52.738  2.2733  43.260  5.9226  9.477871       6.343923  
1 1 1 -6  31  29 o 18.253  7.1262  127.121    203.728  -412.3622  438.429  275.689    230.077  18.108  8.5474  22.576  7.7711  -4.468540      11.55191  
1 1 1 -6  31  30 o 48.423  1.5257  1273.62    80.016   1373.29    118.193  1189.30    108.719  50.204  2.1736  46.724  2.1483  3.480648       3.056130  
1 1 1 -6  31  31 o 49.223  4.8547  1373.95    255.448  1560.06    511.188  1312.00    294.910  49.297  9.9174  47.621  5.8400  1.675755       11.50920  
1 1 1 -6  31  32 o 22.962  2.3362  292.129    57.295   1133.77    483.740  280.155    57.701   39.615  10.922  22.466  2.4089  17.14919       11.18421  
1 1 1 -6  31  33 o 19.901  8.7504  74.725     364.554  0.0000     0.0000   74.725     364.554  ?       ?       19.901  8.7504  0.000000       8.750407  
1 1 1 -6  31  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  32  1  o 343.435 5.6688  63908.28   2108.67  66639.20   2982.96  61180.50   2981.25  350.611 7.8551  335.929 8.1937  14.68170       11.35075  
1 1 1 -6  32  2  o 590.438 19.671  190002.50  12579.68 0.0000     0.0000   190002.50  12579.68 ?       ?       590.438 19.671  0.000000       19.67093  
1 1 1 -6  32  3  o 416.862 8.1665  94213.66   3687.22  95441.06   6383.15  93599.01   4517.06  419.106 14.062  415.381 10.040  3.725494       17.27826  
1 1 1 -6  32  4  o 186.312 4.2103  18804.22   849.614  18736.95   1465.84  18838.26   1042.61  185.921 7.2792  186.466 5.1624  -0.5446472     8.923992  
1 1 1 -6  32  5  o 239.783 4.9428  31150.75   1283.68  29948.73   2216.88  31757.09   1574.50  235.001 8.7097  242.079 6.0050  -7.078461      10.57917  
1 1 1 -6  32  6  o 347.339 8.4467  65425.93   3177.70  64357.50   4492.86  66495.38   4495.02  344.244 12.050  349.931 11.860  -5.686401      16.90733  
1 1 1 -6  32  7  o 618.817 11.727  207993.59  7860.25  207052.70  9627.12  209875.09  13613.46 616.951 14.407  619.789 20.279  -2.837585      24.87602  
1 1 1 -6  32  8  f 403.646 6.9140  88338.87   3022.74  90943.04   4274.40  85733.73   4275.20  409.325 9.6413  397.401 9.9325  11.92398       13.84229  
1 1 1 -6  32  9  o 331.890 5.6954  59706.94   2047.34  61108.12   2895.92  58306.81   2894.83  335.615 7.9666  327.818 8.1531  7.796692       11.39911  
1 1 1 -6  32  10 o 305.320 5.3208  50530.17   1759.57  53220.23   2490.26  47848.12   2486.55  313.212 7.3407  296.955 7.7310  16.25671       10.66087  
1 1 1 -6  32  11 o 240.445 5.0975  31340.33   1327.53  29900.05   1626.09  34218.71   2298.78  234.788 6.3944  251.025 8.4549  -16.23723      10.60066  
1 1 1 -6  32  12 o 56.934  3.0085  1761.04    184.863  1726.38    266.619  1793.13    256.544  56.264  4.4105  57.370  4.1568  -1.105854      6.060657  
1 1 1 -6  32  13 o 344.199 6.4198  64295.34   2393.31  66719.65   3691.95  62538.16   3143.19  350.147 9.7350  339.184 8.5559  10.96228       12.96046  
1 1 1 -6  32  14 o 37.391  4.1740  767.301    166.155  904.341    234.824  629.898    235.134  40.459  5.5013  33.468  6.7201  6.991673       8.684677  
1 1 1 -6  32  15 o 341.456 5.9513  63287.45   2201.00  62633.78   3113.98  63940.04   3111.39  339.284 8.4739  342.822 8.3795  -3.537537      11.91729  
1 1 1 -6  32  16 o 162.240 3.4028  14266.61   597.957  15026.63   847.877  13514.55   843.420  166.442 4.7033  157.833 4.9337  8.608887       6.816346  
1 1 1 -6  32  17 f 172.749 3.5394  16177.38   662.247  14994.84   1316.92  16577.65   766.171  166.043 7.3226  174.847 4.0457  -8.803314      8.365941  
1 1 1 -6  32  18 o 102.862 2.9776  5734.46    331.736  5175.50    650.395  5931.01    385.676  97.397  6.1976  104.597 3.4043  -7.199921      7.071050  
1 1 1 -6  32  19 o 77.609  2.6355  3264.16    221.533  3178.86    336.147  3329.66    294.548  76.441  4.0748  78.363  3.4704  -1.921303      5.352304  
1 1 1 -6  32  20 o 158.469 3.4175  13619.03   586.570  13854.00   1151.94  13536.77   681.546  159.514 6.6675  157.950 3.9839  1.564087       7.766997  
1 1 1 -6  32  21 o 18.635  6.3682  173.397    154.427  398.999    231.207  -8.3083    207.497  26.704  7.6193  15.880  6.7910  10.82376       10.20648  
1 1 1 -6  32  22 o 87.530  2.7636  4155.63    262.005  4112.94    427.459  4181.32    331.597  86.845  4.5604  87.760  3.4885  -0.9152603     5.741713  
1 1 1 -6  32  23 o 62.818  2.5232  2140.83    171.671  2132.92    428.875  2142.33    187.334  62.070  6.4747  62.830  2.7529  -0.7596169     7.035623  
1 1 1 -6  32  24 o 79.971  3.0236  3475.54    261.898  3270.49    511.314  3548.47    304.935  76.911  6.1904  80.759  3.4861  -3.847778      7.104542  
1 1 1 -6  32  25 o 98.469  2.9510  5273.19    314.736  5874.72    691.981  5116.29    353.408  103.009 6.2316  96.932  3.3662  6.077263       7.082629  
1 1 1 -6  32  26 o 46.557  2.1563  1177.06    108.735  1190.39    120.784  1120.09    249.749  46.744  2.3937  44.825  5.2432  1.918953       5.763787  
1 1 1 -6  32  27 o 16.748  6.8986  56.274     201.963  -25.7280   418.127  81.227     230.654  21.752  9.4725  18.196  7.4193  3.556118       12.03222  
1 1 1 -6  32  28 o ?       ?       -179.2997  27.651   -183.0786  27.872   55.767     219.825  ?       ?       17.260  7.1612  0.000000       7.161180  
1 1 1 -6  32  29 o 16.660  6.8897  58.130     202.535  -514.6077  433.889  217.693    229.017  17.192  8.2247  21.050  7.7000  -3.857861      11.26658  
1 1 1 -6  32  30 o 34.169  6.2133  681.507    221.472  399.884    466.787  763.321    251.594  28.024  10.830  36.019  6.6956  -7.994457      12.73236  
1 1 1 -6  32  31 o 22.772  7.7458  298.636    228.454  24.454     463.216  386.763    262.614  22.323  9.8378  25.349  8.2981  -3.026289      12.87018  
1 1 1 -6  32  32 o 12.757  6.0452  -216.5827  223.365  -623.4976  455.343  -87.6376   256.324  16.190  7.9054  15.420  7.0127  0.7702589      10.56753  
1 1 1 -6  32  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  32  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  33  1  o 477.923 10.311  123919.40  5337.64  125774.50  8310.38  122616.60  6963.97  480.884 15.956  475.095 13.533  5.788361       20.92202  
1 1 1 -6  33  2  o 520.329 9.9021  146867.50  5580.56  149918.00  9662.97  145341.00  6835.76  524.849 16.998  517.393 12.198  7.455383       20.92222  
1 1 1 -6  33  3  o 526.958 10.317  150661.09  5888.61  155956.00  10196.84 148011.59  7212.94  535.191 17.591  522.048 12.757  13.14264       21.72939  
1 1 1 -6  33  4  o 455.862 8.7809  112696.80  4335.52  113428.50  7505.97  112330.40  5311.10  456.708 15.174  454.960 10.778  1.748260       18.61225  
1 1 1 -6  33  5  o 182.629 5.0866  18071.54   1006.15  18197.20   1421.87  17945.50   1423.97  183.219 7.1650  181.946 7.2258  1.273026       10.17599  
1 1 1 -6  33  6  o 637.311 12.070  220622.50  8331.46  217660.00  10204.24 226546.41  14429.59 632.521 14.895  643.939 20.689  -11.41754      25.49294  
1 1 1 -6  33  7  o 663.214 12.531  239068.70  9001.31  239842.30  11024.65 237521.91  15589.78 663.689 15.337  658.637 21.854  5.052124       26.69821  
1 1 1 -6  33  8  o 144.341 3.0606  11285.69   478.489  11444.38   674.981  11125.39   678.403  145.335 4.2880  143.294 4.3711  2.041107       6.123148  
1 1 1 -6  33  9  o 559.311 8.9238  169816.50  5405.95  164281.09  7644.75  175353.00  7645.60  549.420 12.847  567.721 12.434  -18.30066      17.87838  
1 1 1 -6  33  10 o 584.352 11.233  185728.20  7109.83  180916.30  12315.47 188133.59  8707.42  574.112 19.805  587.507 13.684  -13.39545      24.07283  
1 1 1 -6  33  11 o 315.087 6.3496  53853.21   2166.96  51890.91   2653.75  57779.75   3753.90  309.153 7.9253  325.893 10.635  -16.73975      13.26326  
1 1 1 -6  33  12 o 93.522  2.8174  4738.35    285.384  4637.34    406.724  4836.32    400.536  92.501  4.0596  94.467  3.9146  -1.966309      5.639572  
1 1 1 -6  33  13 o 64.849  2.8917  2278.48    203.109  2664.86    294.261  1926.90    280.696  70.012  3.8960  59.458  4.3898  10.55403       5.869283  
1 1 1 -6  33  14 o 193.710 3.8107  20338.75   799.519  21034.42   1134.39  19652.09   1127.03  196.914 5.3188  190.325 5.4673  6.589447       7.627635  
1 1 1 -6  33  15 o 336.082 5.8347  61308.17   2123.91  61844.22   3005.30  60773.28   3002.03  337.169 8.2294  334.226 8.2929  2.943756       11.68310  
1 1 1 -6  33  16 o 182.495 3.8325  18055.65   757.539  17445.26   1141.85  18535.51   1012.43  179.252 5.8813  184.830 5.0573  -5.577835      7.756739  
1 1 1 -6  33  17 o 124.886 2.9624  8452.30    400.704  8307.17    802.995  8500.43    462.390  123.673 5.9947  125.226 3.4091  -1.553635      6.896286  
1 1 1 -6  33  18 o 310.183 5.8266  52265.53   1957.49  50659.98   5334.02  52515.41   2104.31  301.779 16.380  310.852 6.2501  -9.072662      17.53232  
1 1 1 -6  33  19 o 197.771 3.8684  21215.60   828.647  19432.55   1653.82  21813.29   957.510  188.774 8.0886  200.490 4.4094  -11.71606      9.212444  
1 1 1 -6  33  20 o 141.519 3.2425  10860.46   497.017  10780.38   989.763  10887.46   574.735  140.715 6.4941  141.663 3.7458  -0.9485016     7.496959  
1 1 1 -6  33  21 o 127.196 3.1321  8775.41    431.504  7348.82    853.343  9265.49    500.161  115.861 6.8303  130.671 3.5339  -14.81036      7.690382  
1 1 1 -6  33  22 o 114.359 3.0225  7096.46    374.374  6736.73    738.362  7220.94    434.346  110.909 6.1710  115.321 3.4774  -4.412125      7.083326  
1 1 1 -6  33  23 o 42.368  1.6104  972.875    73.901   1188.73    335.435  961.863    75.763   46.033  6.9436  42.127  1.6604  3.906326       7.139356  
1 1 1 -6  33  24 o 115.434 3.0403  7242.69    380.122  7044.45    751.315  7310.90    440.686  113.040 6.1597  115.905 3.5104  -2.864395      7.089761  
1 1 1 -6  33  25 o 120.517 3.1893  7905.43    416.311  8804.17    830.199  7603.51    481.184  126.355 6.0662  118.077 3.7625  8.277702       7.138321  
1 1 1 -6  33  26 o 61.140  3.6965  2048.53    243.637  2081.65    510.478  2038.76    277.253  60.366  8.0050  60.883  4.2307  -0.5167122     9.054226  
1 1 1 -6  33  27 o 72.357  3.4203  2859.88    268.052  3235.36    555.697  2746.02    306.007  75.713  6.8506  70.678  4.0139  5.034348       7.939914  
1 1 1 -6  33  28 o 34.876  1.7618  662.242    66.335   433.131    448.009  667.378    67.074   28.990  10.741  35.010  1.7747  -6.020046      10.88711  
1 1 1 -6  33  29 o 24.825  1.3995  335.527    37.475   467.933    444.105  334.577    37.609   29.227  10.718  24.789  1.4066  4.437847       10.80970  
1 1 1 -6  33  30 o 16.444  6.8872  46.457     206.064  -378.8941  443.878  163.311    232.654  18.340  8.6396  19.701  7.6365  -1.360880      11.53074  
1 1 1 -6  33  31 o 29.866  1.5716  486.490    50.660   492.179    51.898   371.487    233.333  30.037  1.6010  24.769  7.7957  5.268248       7.958375  
1 1 1 -6  33  32 o 28.020  7.8003  508.991    245.441  552.385    482.235  493.819    285.136  28.450  11.004  27.308  8.6205  1.142340       13.97840  
1 1 1 -6  33  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  33  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  34  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  34  2  o 542.341 10.476  159600.00  6153.48  166395.00  10655.69 156200.09  7537.32  552.748 17.799  536.253 12.977  16.49542       22.02706  
1 1 1 -6  34  3  o 275.248 6.9283  41064.60   2065.47  41258.50   2921.01  40870.71   2921.02  275.777 9.7792  274.476 9.8256  1.301331       13.86276  
1 1 1 -6  34  4  o 125.811 4.1035  8574.59    559.170  8342.78    789.478  8807.93    792.099  124.077 5.8746  127.492 5.7363  -3.413986      8.210684  
1 1 1 -6  34  5  o 128.939 3.4106  9005.61    476.308  9144.03    585.447  8734.60    819.171  129.919 4.1605  126.954 5.9574  2.965279       7.266406  
1 1 1 -6  34  6  o 139.158 3.5432  10489.97   534.033  10848.83   656.351  9787.09    918.579  141.509 4.2824  134.374 6.3115  7.134766       7.627146  
1 1 1 -6  34  7  o 262.273 4.5630  37271.12   1296.21  35694.07   1831.47  38853.88   1834.78  256.592 6.5900  267.720 6.3275  -11.12784      9.135940  
1 1 1 -6  34  8  o 423.601 7.1135  97312.16   3263.69  98627.82   4615.01  95995.88   4616.11  426.162 9.9983  420.421 10.137  5.741028       14.23838  
1 1 1 -6  34  9  o 446.314 7.4345  108064.10  3593.88  109265.10  5082.44  106863.10  5082.58  448.403 10.465  443.429 10.583  4.973572       14.88299  
1 1 1 -6  34  10 o 208.459 4.6041  23551.54   1039.53  23635.54   1807.93  23510.05   1270.57  208.666 7.9994  208.235 5.6335  0.4314880      9.783986  
1 1 1 -6  34  11 o 273.996 5.6458  40711.95   1675.48  39680.14   2051.89  42776.46   2902.43  270.403 7.0060  280.502 9.5533  -10.09937      11.84698  
1 1 1 -6  34  12 o 501.512 9.0099  136750.91  4894.07  134551.00  7591.84  138315.20  6401.83  496.027 14.131  503.677 11.735  -7.649689      18.36826  
1 1 1 -6  34  13 o 133.296 3.1196  9627.37    450.386  10365.30   626.597  8838.62    647.818  138.281 4.1836  127.677 4.6846  10.60446       6.280775  
1 1 1 -6  34  14 o 423.632 7.1923  97501.25   3300.08  93691.21   4667.57  101309.50  4666.48  414.550 10.395  431.184 9.9921  -16.63416      14.41900  
1 1 1 -6  34  15 o 153.423 3.3564  12757.29   557.742  12708.56   794.226  12804.71   783.417  153.068 4.7906  153.650 4.7075  -0.5820923     6.716414  
1 1 1 -6  34  16 o 168.900 3.5315  15463.40   646.031  14931.82   919.218  15982.23   908.134  165.886 5.1161  171.637 4.8851  -5.750534      7.073764  
1 1 1 -6  34  17 o 143.408 3.2761  11147.41   508.866  11555.92   992.786  11001.84   592.635  145.840 6.2851  142.445 3.8412  3.394318       7.365936  
1 1 1 -6  34  18 o 245.287 4.5112  32644.88   1198.50  31008.48   2395.24  33191.41   1384.25  238.330 9.2790  247.258 5.1688  -8.928452      10.62151  
1 1 1 -6  34  19 o 66.154  3.2745  2372.74    234.625  2450.05    459.904  2345.54    272.794  66.807  6.4354  65.646  3.8536  1.161240       7.500998  
1 1 1 -6  34  20 o 119.265 3.0851  7712.68    398.520  7249.64    784.373  7873.81    462.689  115.230 6.3087  120.480 3.5457  -5.249397      7.236826  
1 1 1 -6  34  21 o 147.454 3.4329  11798.09   548.263  11040.31   1052.03  12080.64   642.397  142.225 6.8294  149.159 3.9764  -6.934082      7.902666  
1 1 1 -6  34  22 o 61.534  3.2792  2061.41    217.762  1754.16    422.191  2172.78    254.183  56.160  7.0994  63.131  3.7339  -6.970894      8.021441  
1 1 1 -6  34  23 o 68.108  2.5560  2517.23    188.551  2448.87    259.102  2594.18    274.903  67.017  3.5825  68.968  3.6935  -1.950790      5.145545  
1 1 1 -6  34  24 o 33.956  1.4148  624.912    52.034   911.622    75.145   360.806    72.122   41.004  1.6920  25.641  2.6344  15.36334       3.130936  
1 1 1 -6  34  25 o 16.111  6.6010  52.781     183.695  -424.3252  407.496  174.460    205.790  17.529  8.2638  19.761  7.2883  -2.231859      11.01860  
1 1 1 -6  34  26 o 80.998  3.2652  3576.90    286.450  4879.87    597.417  3187.91    326.419  93.719  5.9158  76.245  3.9664  17.47398       7.122403  
1 1 1 -6  34  27 o 31.550  1.8457  542.277    62.795   538.275    65.210   593.326    232.893  31.424  1.9252  31.949  6.9296  -0.5250854     7.192060  
1 1 1 -6  34  28 o 59.258  3.9670  1937.95    253.138  1584.06    516.596  2049.77    290.391  51.231  9.6643  60.809  4.4397  -9.577995      10.63530  
1 1 1 -6  34  29 o 55.019  2.3650  1649.82    140.934  951.580    499.327  1710.26    146.907  38.567  11.255  56.009  2.4217  -17.44204      11.51276  
1 1 1 -6  34  30 o 62.286  3.8653  2151.01    259.474  1833.31    542.774  2245.12    295.417  54.393  9.5621  63.455  4.3241  -9.062073      10.49437  
1 1 1 -6  34  31 o 33.783  1.9392  624.368    70.660   622.130    73.002   657.574    281.186  33.710  2.0085  32.380  8.0517  1.330246       8.298403  
1 1 1 -6  34  32 o 28.164  9.0871  536.747    315.516  961.791    480.804  215.271    418.144  35.695  11.183  22.892  9.7105  12.80366       14.81081  
1 1 1 -6  34  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  34  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  35  1  o 682.542 22.673  254685.80  16761.47 254685.80  16761.47 0.0000     0.0000   682.542 22.673  ?       ?       0.000000       22.67318  
1 1 1 -6  35  2  o 395.775 9.4975  84970.83   4071.25  86600.59   5758.43  83341.98   5756.80  399.228 13.317  391.620 13.572  7.608124       19.01445  
1 1 1 -6  35  3  o 185.819 4.3622  18705.85   877.944  17741.81   1077.33  20611.91   1514.84  180.947 5.4970  194.995 7.1725  -14.04781      9.036715  
1 1 1 -6  35  4  o 423.704 8.2483  97356.05   3785.26  96729.63   4636.76  98607.66   6554.06  422.190 10.140  425.843 14.210  -3.652863      17.45679  
1 1 1 -6  35  5  o 497.520 10.721  134383.50  5776.94  137336.70  7539.42  130184.40  8990.42  502.538 13.852  488.767 16.983  13.77148       21.91529  
1 1 1 -6  35  6  o 336.392 6.2682  61339.38   2283.80  62441.63   3001.59  59823.99   3519.44  339.290 8.1679  331.987 9.7878  7.303131       12.74812  
1 1 1 -6  35  7  o 260.225 4.5502  36692.58   1282.48  37338.63   1812.68  36045.08   1814.73  262.437 6.3771  257.846 6.4980  4.591278       9.104535  
1 1 1 -6  35  8  o 293.266 5.5102  46618.18   1750.25  46882.96   2307.47  46259.45   2685.85  294.001 7.2463  291.954 8.4937  2.046600       11.16477  
1 1 1 -6  35  9  o 205.845 3.8166  22958.06   850.911  23156.71   1202.31  22758.72   1204.43  206.684 5.3708  204.898 5.4272  1.785934       7.635436  
1 1 1 -6  35  10 o 356.586 7.0656  68994.37   2728.87  70150.26   4729.44  68417.48   3341.14  358.875 12.167  354.915 8.6916  3.960236       14.95289  
1 1 1 -6  35  11 o 151.984 3.7779  12517.36   621.894  12830.56   762.589  11895.52   1074.54  153.850 4.5764  148.058 6.7007  5.791885       8.114367  
1 1 1 -6  35  12 f 322.483 5.6313  56409.26   1966.92  55799.09   2781.77  57019.32   2781.52  320.471 8.0142  323.967 7.9270  -3.496490      11.27235  
1 1 1 -6  35  13 o 219.644 4.1383  26151.66   984.491  26844.39   1393.52  25461.40   1391.04  222.432 5.7842  216.616 5.9290  5.815796       8.283114  
1 1 1 -6  35  14 o 155.526 3.3063  13108.34   556.954  14208.31   794.393  12044.93   781.079  161.870 4.5310  149.025 4.8391  12.84557       6.629275  
1 1 1 -6  35  15 o 183.834 3.8742  18320.86   771.402  17973.66   1039.98  18745.52   1150.17  182.002 5.2757  185.837 5.7143  -3.835602      7.777266  
1 1 1 -6  35  16 o 74.904  2.5973  3040.01    210.712  3044.24    362.616  3037.85    258.911  74.783  4.4978  74.868  3.1929  -0.8473969E-01 5.515877  
1 1 1 -6  35  17 o 222.730 4.1323  26904.20   996.883  28398.93   1997.55  26408.47   1150.38  228.374 8.0757  220.612 4.8144  7.761536       9.401895  
1 1 1 -6  35  18 o 252.214 4.6182  34519.89   1261.57  35141.13   2523.66  34312.92   1456.64  253.706 9.1840  251.368 5.3502  2.337570       10.62874  
1 1 1 -6  35  19 o 325.556 5.6814  57602.38   2003.34  59911.84   4007.38  56832.91   2313.12  330.326 11.201  323.172 6.6084  7.154266       13.00491  
1 1 1 -6  35  20 o 347.872 6.0317  65860.87   2272.62  70355.72   4546.06  64363.31   2624.03  357.091 11.754  343.584 7.0513  13.50720       13.70683  
1 1 1 -6  35  21 o 66.700  2.5431  2412.04    183.720  2534.61    473.228  2390.29    199.357  67.852  6.5195  66.391  2.7724  1.461067       7.084516  
1 1 1 -6  35  22 o 53.527  3.5193  1562.92    202.894  1842.21    415.281  1475.35    232.537  57.621  6.7840  51.921  4.1702  5.700588       7.963297  
1 1 1 -6  35  23 o 97.580  2.9725  5171.57    314.163  6813.06    633.633  4636.51    361.760  111.662 5.2392  92.331  3.6175  19.33131       6.366708  
1 1 1 -6  35  24 o 50.850  2.4687  1403.95    135.964  2118.76    478.541  1341.19    141.808  61.443  7.3358  49.621  2.6481  11.82255       7.799125  
1 1 1 -6  35  25 o 118.449 3.1449  7637.05    403.472  8785.79    827.283  7278.54    462.163  126.176 6.0535  115.523 3.6937  10.65311       7.091389  
1 1 1 -6  35  26 o 63.370  3.6221  2200.22    247.571  1776.12    516.372  2326.80    282.109  55.261  8.9320  65.086  4.0215  -9.825356      9.795552  
1 1 1 -6  35  27 o 94.586  3.2523  4884.65    333.186  5363.82    672.479  4728.76    383.576  97.804  6.3832  92.924  3.8111  4.880096       7.434372  
1 1 1 -6  35  28 o 52.202  4.1620  1509.45    233.364  1658.46    492.790  1466.37    264.956  52.773  8.9407  51.250  4.8302  1.523006       10.16200  
1 1 1 -6  35  29 o 32.081  1.5251  558.865    52.993   567.942    54.375   387.021    236.585  32.338  1.5524  25.642  7.8131  6.696640       7.965881  
1 1 1 -6  35  30 o 70.869  2.8345  2750.34    217.569  2787.40    574.074  2744.13    235.108  68.508  7.8803  70.721  3.0694  -2.213257      8.456928  
1 1 1 -6  35  31 o 34.774  1.7967  660.694    67.441   665.097    68.331   495.024    419.146  34.887  1.8146  28.244  10.404  6.642754       10.56104  
1 1 1 -6  35  32 o 13.146  2.0817  96.915     28.653   0.0000     0.0000   96.915     28.653   ?       ?       13.146  2.0817  0.000000       2.081709  
1 1 1 -6  35  33 o 21.375  9.1965  173.959    384.670  0.0000     0.0000   173.959    384.670  ?       ?       21.375  9.1965  0.000000       9.196475  
1 1 1 -6  35  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  35  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  36  1  o 724.358 24.073  287377.91  18886.77 287377.91  18886.77 0.0000     0.0000   724.358 24.073  ?       ?       0.000000       24.07322  
1 1 1 -6  36  2  o 784.283 26.063  337616.69  22139.35 337616.69  22139.35 0.0000     0.0000   784.283 26.063  ?       ?       0.000000       26.06286  
1 1 1 -6  36  3  f 409.022 8.0867  90723.43   3582.52  89932.41   4388.79  92303.06   6201.97  407.094 9.9536  412.026 13.897  -4.931976      17.09423  
1 1 1 -6  36  4  o 52.080  3.1146  1474.46    174.887  1235.34    218.373  1902.13    292.040  47.559  4.2854  59.073  4.6007  -11.51429      6.287357  
1 1 1 -6  36  5  o 366.978 6.3357  73001.25   2518.29  76588.31   3561.32  69413.86   3561.48  375.725 8.7513  357.661 9.1937  18.06409       12.69282  
1 1 1 -6  36  6  o 518.231 8.5468  145713.80  4797.27  148851.41  6784.10  142575.70  6784.63  523.309 11.969  512.117 12.232  11.19208       17.11360  
1 1 1 -6  36  7  o 191.531 3.5974  19873.66   746.273  19333.83   1052.12  20420.25   1058.69  188.876 5.1430  194.113 5.0355  -5.237167      7.197719  
1 1 1 -6  36  8  o 189.903 3.6298  19538.26   746.586  19868.11   1054.59  19206.86   1057.08  191.461 5.0855  188.245 5.1846  3.216080       7.262372  
1 1 1 -6  36  9  o 294.357 5.0958  46967.22   1624.65  48065.18   2297.64  45869.32   2297.57  297.644 7.1271  290.753 7.2958  6.891144       10.19925  
1 1 1 -6  36  10 o 318.022 6.3843  54863.80   2199.07  57185.06   3812.24  53706.21   2692.12  324.164 10.858  314.508 7.9030  9.655731       13.42950  
1 1 1 -6  36  11 o 260.378 4.7137  36753.96   1329.34  37406.06   1879.95  36101.82   1880.00  262.545 6.6111  257.918 6.7299  4.627319       9.433860  
1 1 1 -6  36  12 o 553.344 9.2308  166556.30  5532.31  172063.20  7824.02  161049.91  7823.72  561.243 12.871  542.823 13.307  18.41962       18.51324  
1 1 1 -6  36  13 o 149.151 3.2587  12054.95   526.425  12170.92   746.337  11940.12   742.633  149.821 4.5993  148.393 4.6205  1.428192       6.519425  
1 1 1 -6  36  14 o 335.891 5.8158  61233.47   2115.80  62480.25   2993.96  59989.63   2990.43  338.935 8.1557  332.083 8.3141  6.852051       11.64646  
1 1 1 -6  36  15 o 325.024 5.6661  57340.98   1994.68  57480.64   2822.64  57201.68   2819.17  325.047 8.0175  324.256 8.0272  0.7915039      11.34530  
1 1 1 -6  36  16 o 310.531 5.4616  52343.26   1836.96  52699.03   2600.25  51988.81   2595.45  311.226 7.7138  309.114 7.7522  2.111420       10.93615  
1 1 1 -6  36  17 o 185.083 4.2733  18580.48   856.636  20518.82   1484.95  17613.67   1048.73  194.234 7.0586  180.121 5.3756  14.11284       8.872473  
1 1 1 -6  36  18 o 189.569 3.9797  19492.11   817.119  20466.92   2004.43  19297.82   894.849  193.525 9.5628  188.590 4.3809  4.934525       10.51851  
1 1 1 -6  36  19 o 120.732 3.0881  7902.49    403.817  8086.90    811.859  7841.87    465.483  121.779 6.1753  120.246 3.5741  1.532722       7.135043  
1 1 1 -6  36  20 o 260.474 5.0973  36878.65   1438.06  38587.85   3807.42  36594.25   1553.10  263.270 13.397  259.383 5.5282  3.886841       14.49247  
1 1 1 -6  36  21 o 154.816 3.3976  13007.92   569.723  12670.84   1137.81  13120.71   658.176  152.286 6.8982  155.432 3.9096  -3.145355      7.929094  
1 1 1 -6  36  22 o 187.353 3.7459  19076.76   760.131  19899.52   1522.87  18803.76   877.224  190.378 7.3854  185.891 4.3569  4.487091       8.574785  
1 1 1 -6  36  23 o 77.801  3.0131  3288.17    253.905  3059.20    514.173  3362.01    291.990  74.365  6.4475  78.633  3.4284  -4.268822      7.302359  
1 1 1 -6  36  24 o 59.350  3.4016  1923.50    217.752  2145.41    494.364  1870.08    242.549  61.745  7.5494  58.448  3.8530  3.297585       8.475810  
1 1 1 -6  36  25 o 30.681  1.6971  512.124    56.177   513.333    58.042   494.209    223.406  30.713  1.7521  29.247  7.1195  1.465939       7.331915  
1 1 1 -6  36  26 o 68.828  2.5608  2576.67    190.901  2811.41    254.583  2275.12    288.544  71.797  3.2738  64.317  4.1644  7.479385       5.297174  
1 1 1 -6  36  27 o 21.213  7.1795  239.505    196.262  436.381    426.384  186.579    221.074  28.961  10.520  20.276  7.5391  8.684643       12.94227  
1 1 1 -6  36  28 o 37.650  5.4011  804.276    213.941  912.823    455.864  773.616    242.279  38.307  10.619  36.611  6.3395  1.695866       12.36702  
1 1 1 -6  36  29 o 47.472  2.2387  1227.75    115.108  1237.36    127.086  1183.86    271.596  47.563  2.4755  45.599  5.6180  1.964039       6.139246  
1 1 1 -6  36  30 o 87.025  3.5027  4173.92    330.156  4263.51    654.801  4143.38    382.310  85.407  7.1442  86.436  4.0837  -1.029289      8.228971  
1 1 1 -6  36  31 o 40.896  1.9087  912.430    84.544   926.143    86.205   566.776    432.790  41.198  1.9319  29.476  10.615  11.72192       10.78893  
1 1 1 -6  36  32 o 26.572  8.4662  467.346    274.531  0.0000     0.0000   467.346    274.531  ?       ?       26.572  8.4662  0.000000       8.466197  
1 1 1 -6  36  33 o 21.294  9.1653  171.845    382.405  0.0000     0.0000   171.845    382.405  ?       ?       21.294  9.1653  0.000000       9.165320  
1 1 1 -6  36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  36  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  37  1  o 156.992 6.6937  13360.07   1138.19  13360.07   1138.19  0.0000     0.0000   156.992 6.6937  ?       ?       0.000000       6.693690  
1 1 1 -6  37  2  f 176.654 7.1460  16918.60   1367.28  16918.60   1367.28  0.0000     0.0000   176.654 7.1460  ?       ?       0.000000       7.145985  
1 1 1 -6  37  3  o 530.969 10.302  153040.00  5924.80  151800.70  7257.39  155516.59  10259.17 528.494 12.679  534.010 17.737  -5.516968      21.80287  
1 1 1 -6  37  4  o 450.279 7.6462  109951.80  3729.05  108911.40  5273.34  110992.50  5274.02  447.829 10.872  452.099 10.771  -4.269989      15.30366  
1 1 1 -6  37  5  o 409.730 6.8980  91024.52   3061.21  90490.05   4328.74  91559.20   4329.67  408.276 9.7890  410.686 9.7336  -2.410461      13.80462  
1 1 1 -6  37  6  o 645.429 10.577  226291.80  7394.30  226429.50  10456.71 226154.00  10457.53 644.634 14.977  644.239 14.987  0.3950806      21.18736  
1 1 1 -6  37  7  o 354.506 5.9981  68133.23   2303.05  66017.44   3255.64  70252.59   3258.38  348.757 8.6187  359.793 8.3614  -11.03653      12.00815  
1 1 1 -6  37  8  o 438.651 7.2801  104389.40  3458.82  104178.40  4890.63  104600.50  4892.39  437.813 10.314  438.702 10.296  -0.8885498     14.57334  
1 1 1 -6  37  9  o 388.290 6.6072  81786.27   2778.71  85053.73   3929.67  78518.75   3929.70  395.663 9.1698  380.108 9.5451  15.55499       13.23612  
1 1 1 -6  37  10 o 146.303 4.5535  11602.19   721.549  10737.20   1017.71  12476.46   1023.16  140.670 6.6797  151.655 6.2289  -10.98503      9.133321  
1 1 1 -6  37  11 o 290.478 5.1464  45753.96   1619.14  45641.70   2289.56  45866.28   2290.06  289.932 7.2910  290.646 7.2746  -0.7141418     10.29947  
1 1 1 -6  37  12 o 265.927 4.7853  38344.47   1378.30  38051.52   1949.33  38637.36   1949.10  264.744 6.7981  266.779 6.7455  -2.035278      9.576848  
1 1 1 -6  37  13 o 126.774 3.0463  8708.57    418.290  8253.18    593.335  9158.53    589.784  123.376 4.4402  129.975 4.1895  -6.599419      6.104666  
1 1 1 -6  37  14 o 183.899 3.6651  18331.20   730.030  18703.33   1037.05  17965.64   1027.84  185.675 5.1568  181.973 5.2150  3.702194       7.334029  
1 1 1 -6  37  15 o 212.927 4.0443  24582.09   932.711  25068.62   1322.98  24101.29   1315.16  214.900 5.6839  210.706 5.7628  4.193878       8.094214  
1 1 1 -6  37  16 o 361.580 6.2112  71019.27   2432.50  70029.21   3441.80  72007.34   3438.34  358.483 8.8643  363.545 8.7322  -5.061157      12.44295  
1 1 1 -6  37  17 o 346.838 6.0175  65355.52   2260.56  65876.55   3198.21  64835.34   3195.60  347.667 8.4932  344.893 8.5546  2.774353       12.05471  
1 1 1 -6  37  18 o 389.887 6.6845  82699.55   2822.80  82713.15   5644.11  82695.01   3259.77  387.232 13.457  389.578 7.7254  -2.345886      15.51702  
1 1 1 -6  37  19 o 178.893 3.8591  17362.35   747.732  18058.19   1800.99  17217.42   821.918  181.458 9.1936  178.110 4.2606  3.347641       10.13284  
1 1 1 -6  37  20 o 245.539 4.5287  32750.43   1204.39  32782.07   2409.63  32739.90   1390.54  244.522 9.0984  245.374 5.2322  -0.8522644     10.49554  
1 1 1 -6  37  21 o 127.569 3.1224  8830.25    431.426  9028.09    867.961  8765.34    497.196  128.620 6.2305  127.058 3.6129  1.562019       7.202225  
1 1 1 -6  37  22 o 227.224 4.4886  28111.52   1104.69  27386.20   2078.19  28397.18   1304.21  222.676 8.6167  228.142 5.2780  -5.465424      10.10471  
1 1 1 -6  37  23 o 109.218 2.9584  6480.36    349.964  7095.12    672.690  6252.22    409.787  113.850 5.4552  107.206 3.5291  6.643814       6.497231  
1 1 1 -6  37  24 o 78.714  2.6114  3365.85    222.637  3451.00    343.661  3304.26    292.260  79.438  4.0072  77.899  3.4639  1.539017       5.296794  
1 1 1 -6  37  25 o 96.708  2.9402  5089.04    307.970  5232.86    675.981  5051.37    345.960  96.980  6.4727  96.286  3.3173  0.6932297      7.273275  
1 1 1 -6  37  26 o 37.244  5.2931  779.708    207.511  724.963    441.872  795.198    235.042  34.999  10.681  37.434  5.9998  -2.434605      12.25056  
1 1 1 -6  37  27 o 77.668  2.7839  3287.65    234.193  3316.03    582.272  3282.17    255.794  76.385  7.1200  77.555  3.0452  -1.170135      7.743883  
1 1 1 -6  37  28 o ?       ?       -138.1108  19.171   -181.5429  28.474   -102.1008  25.927   ?       ?       ?       ?       0.000000       ?         
1 1 1 -6  37  29 o 26.342  7.7156  412.618    234.272  540.469    443.751  363.215    275.846  30.393  10.769  25.250  8.5117  5.142994       13.72652  
1 1 1 -6  37  30 o 40.049  7.7880  971.875    325.656  909.112    486.457  1022.85    438.381  37.011  11.187  39.782  10.143  -2.771149      15.10072  
1 1 1 -6  37  31 o 9.9797  2.7418  56.516     30.548   56.116     30.639   124.230    398.514  9.9483  2.7511  21.869  9.3834  -11.92084      9.778375  
1 1 1 -6  37  32 o 5.1603  2.5541  -120.2463  53.068   0.0000     0.0000   -120.2463  53.068   ?       ?       5.1603  2.5541  0.000000       2.554147  
1 1 1 -6  37  33 o 20.050  8.7094  118.606    351.715  0.0000     0.0000   118.606    351.715  ?       ?       20.050  8.7094  0.000000       8.709420  
1 1 1 -6  37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  37  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  38  1  o 220.458 5.8644  26341.11   1400.30  24576.42   1980.09  28106.64   1980.57  212.850 8.5890  227.648 8.0326  -14.79845      11.75982  
1 1 1 -6  38  2  o 661.612 18.572  238959.80  13308.50 241787.00  24651.88 237796.91  15810.39 658.169 34.704  658.889 22.154  -0.7206421     41.17270  
1 1 1 -6  38  3  o 172.145 4.9630  16057.95   925.354  15701.09   1307.42  16416.15   1309.88  170.169 7.0936  174.005 6.9502  -3.836029      9.930970  
1 1 1 -6  38  4  o 443.063 8.0796  106485.70  3877.24  106979.70  5077.77  105794.90  6004.50  443.828 10.563  441.105 12.568  2.723724       16.41739  
1 1 1 -6  38  5  o 376.716 6.9469  76954.82   2834.48  77585.05   3719.23  76081.57   4377.97  378.080 9.0824  374.226 10.801  3.854218       14.11218  
1 1 1 -6  38  6  o 395.998 6.6460  85033.41   2850.53  86618.95   4030.75  83447.08   4031.77  399.423 9.3171  392.023 9.4954  7.400635       13.30308  
1 1 1 -6  38  7  o 298.305 5.1878  48232.41   1676.15  46406.54   2368.91  50062.98   2371.95  292.468 7.4782  303.791 7.2088  -11.32297      10.38704  
1 1 1 -6  38  8  o 26.892  3.9399  400.184    111.351  423.766    150.119  371.338    166.030  27.504  5.2304  25.655  6.0698  1.849194       8.012445  
1 1 1 -6  38  9  o 283.012 5.3172  43426.06   1629.89  46165.95   2151.01  39731.90   2497.67  291.695 6.8084  270.461 8.5263  21.23416       10.91105  
1 1 1 -6  38  10 o 60.021  3.3973  1958.20    219.949  2123.18    265.523  1597.47    392.629  62.468  3.9447  53.816  6.8945  8.651466       7.943193  
1 1 1 -6  38  11 o 173.060 3.5293  16229.66   661.548  15883.63   935.490  16575.82   935.651  171.149 5.0465  174.843 4.9408  -3.694153      7.062492  
1 1 1 -6  38  12 o 404.648 6.9088  88910.73   3027.97  91497.82   4282.23  86323.72   4282.16  409.974 9.6437  398.152 9.9299  11.82260       13.84209  
1 1 1 -6  38  13 o 301.116 5.5832  49198.36   1820.91  49596.14   2398.93  48657.63   2796.97  302.119 7.3311  299.053 8.6351  3.065430       11.32741  
1 1 1 -6  38  14 o 252.909 4.6386  34689.96   1270.64  34690.05   1799.38  34689.89   1794.53  252.722 6.5737  252.724 6.5559  -0.1434326E-02 9.284060  
1 1 1 -6  38  15 o 271.708 4.8618  40050.25   1430.78  40961.99   2024.96  39141.25   2021.91  274.552 6.8096  268.361 6.9562  6.191223       9.734430  
1 1 1 -6  38  16 o 162.644 3.5538  14340.33   626.047  14172.53   929.608  14479.59   846.889  161.588 5.3115  163.364 4.7863  -1.775955      7.149891  
1 1 1 -6  38  17 o 295.056 5.5683  47280.09   1779.51  47963.45   2737.98  46780.31   2341.49  296.618 8.5224  293.180 7.3737  3.438049       11.26956  
1 1 1 -6  38  18 o 228.783 4.2922  28400.27   1063.58  25194.73   2125.97  29470.39   1228.35  214.756 9.1399  232.989 4.8676  -18.23296      10.35526  
1 1 1 -6  38  19 o 97.920  2.9988  5198.48    318.043  4557.98    639.570  5408.89    366.581  91.269  6.5126  99.866  3.3891  -8.597084      7.341619  
1 1 1 -6  38  20 o 76.025  3.1282  3134.94    257.583  3528.51    513.211  3002.41    297.811  80.278  5.9447  74.378  3.6968  5.899857       7.000375  
1 1 1 -6  38  21 o 67.020  3.2180  2437.81    233.595  2370.20    464.525  2460.69    270.251  65.525  6.6369  67.206  3.7273  -1.681168      7.611928  
1 1 1 -6  38  22 o 155.396 3.3826  13119.90   569.326  13234.66   1141.80  13081.92   656.798  155.313 6.7875  155.086 3.9101  0.2268372      7.833234  
1 1 1 -6  38  23 o 41.445  3.9521  944.072    175.258  1425.05    366.137  801.114    199.611  50.406  6.8867  37.969  4.9733  12.43613       8.494711  
1 1 1 -6  38  24 o 30.784  5.2627  533.929    169.166  386.003    419.135  562.716    184.895  28.436  10.415  31.549  5.6169  -3.112856      11.83262  
1 1 1 -6  38  25 o 128.248 3.2685  8961.61    454.010  9509.08    906.472  8778.28    524.545  130.990 6.3892  126.788 3.8197  4.201050       7.443953  
1 1 1 -6  38  26 o 84.805  3.2308  3922.92    296.761  4142.16    614.857  3856.34    338.841  85.915  6.6595  83.984  3.7250  1.931770       7.630489  
1 1 1 -6  38  27 o 69.621  3.4662  2651.68    261.375  3133.10    546.836  2509.12    297.567  74.312  6.8719  67.472  4.0912  6.839386       7.997511  
1 1 1 -6  38  28 o 98.904  2.9149  5343.75    312.255  4763.90    541.871  5632.03    382.071  92.246  5.4476  101.350 3.4806  -9.103241      6.464607  
1 1 1 -6  38  29 o 23.293  8.6846  269.064    293.760  161.069    440.731  355.395    394.055  24.146  10.089  26.465  10.018  -2.318867      14.21805  
1 1 1 -6  38  30 o 33.358  8.6812  696.519    316.675  807.596    475.131  607.738    424.779  34.953  11.138  31.038  10.562  3.914204       15.34957  
1 1 1 -6  38  31 o 31.650  7.2879  626.351    244.669  549.724    472.826  654.372    285.926  28.947  10.970  31.841  8.2306  -2.894377      13.71439  
1 1 1 -6  38  32 o 45.376  6.2207  1248.43    297.680  0.0000     0.0000   1248.43    297.680  ?       ?       45.376  6.2207  0.000000       6.220749  
1 1 1 -6  38  33 o 35.009  12.486  1098.67    597.512  0.0000     0.0000   1098.67    597.512  ?       ?       35.009  12.486  0.000000       12.48624  
1 1 1 -6  38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  39  1  f 544.886 10.537  161230.59  6218.50  171049.41  10775.09 156327.20  7614.55  559.816 17.771  536.133 13.113  23.68317       22.08506  
1 1 1 -6  39  2  o 315.761 9.1600  54109.57   3132.73  54386.39   5571.45  53981.58   3788.31  315.424 16.364  315.232 11.095  0.1919250      19.77119  
1 1 1 -6  39  3  f 208.488 5.6328  23559.18   1271.97  24132.08   1798.38  22985.71   1799.29  210.925 7.8720  205.846 8.0703  5.079300       11.27376  
1 1 1 -6  39  4  o 92.279  3.9169  4613.46    391.484  4624.15    549.825  4602.48    557.539  92.201  5.5313  91.977  5.6236  0.2243729      7.888030  
1 1 1 -6  39  5  o 494.844 8.8975  132915.09  4768.77  130098.30  7394.97  134920.50  6239.44  488.751 13.969  498.169 11.564  -9.417786      18.13463  
1 1 1 -6  39  6  o 402.360 6.7594  87799.78   2945.71  89600.52   4165.66  85998.68   4166.08  406.185 9.4687  397.914 9.6665  8.271423       13.53131  
1 1 1 -6  39  7  o 214.403 3.9526  24907.93   917.887  24650.92   1297.04  25165.77   1299.14  213.235 5.6160  215.452 5.5672  -2.217285      7.907741  
1 1 1 -6  39  8  o 253.781 4.4924  34905.65   1234.83  34665.34   1745.95  35146.16   1746.69  252.805 6.3764  254.555 6.3353  -1.749786      8.988535  
1 1 1 -6  39  9  o 262.430 5.4784  37345.01   1557.19  39205.72   2697.21  36414.73   1907.13  268.563 9.2725  259.050 6.7972  9.512939       11.49700  
1 1 1 -6  39  10 o 489.602 9.2883  130352.50  4925.47  127600.40  6031.50  135862.00  8533.85  483.873 11.509  497.895 15.825  -14.02182      19.56711  
1 1 1 -6  39  11 o 434.258 7.3325  102413.50  3448.83  102765.30  4876.92  102061.50  4877.86  434.395 10.366  432.896 10.403  1.499054       14.68587  
1 1 1 -6  39  12 o 176.431 3.6116  16870.19   690.155  16604.64   978.436  17133.13   973.636  174.967 5.1630  177.735 5.0577  -2.768204      7.227534  
1 1 1 -6  39  13 o 54.754  2.9851  1629.31    176.361  1804.15    264.221  1488.83    236.842  57.527  4.2711  52.233  4.2226  5.294186       6.005986  
1 1 1 -6  39  14 o 63.739  3.0462  2201.56    210.299  2553.78    312.411  1909.72    284.377  68.498  4.2317  59.174  4.4700  9.323406       6.155330  
1 1 1 -6  39  15 o 331.249 5.7739  59572.14   2071.55  59939.12   2930.51  59205.60   2928.72  331.853 8.1532  329.806 8.1988  2.046082       11.56262  
1 1 1 -6  39  16 o 268.241 4.8269  39041.76   1402.38  40429.63   1984.83  37658.27   1981.70  272.721 6.7195  263.174 6.9522  9.547668       9.668754  
1 1 1 -6  39  17 o 186.134 3.7559  18787.58   757.210  19037.66   1077.27  18543.37   1064.56  187.245 5.3118  184.797 5.3187  2.447464       7.516908  
1 1 1 -6  39  18 o 252.181 4.6287  34519.64   1264.28  36754.47   2524.38  33771.40   1460.67  259.392 8.9852  249.329 5.4089  10.06361       10.48760  
1 1 1 -6  39  19 o 317.473 5.5726  54804.96   1916.19  54069.74   3830.59  55050.34   2212.97  313.372 11.286  317.971 6.4257  -4.598999      12.98693  
1 1 1 -6  39  20 o 149.568 3.3181  12137.30   537.523  13309.81   1079.06  11750.33   619.911  156.239 6.3766  147.114 3.8905  9.124649       7.469732  
1 1 1 -6  39  21 o 174.617 3.6004  16560.81   680.935  15791.32   1363.52  16816.47   785.959  169.711 7.4179  175.879 4.1259  -6.168472      8.488138  
1 1 1 -6  39  22 o 131.289 3.1819  9363.14    452.457  8971.40    955.172  9476.46    513.753  127.604 6.9372  132.025 3.5927  -4.421349      7.812300  
1 1 1 -6  39  23 o 21.800  6.3764  266.349    160.101  -31.4382   322.356  363.857    184.460  19.309  8.3626  25.248  6.6522  -5.939245      10.68574  
1 1 1 -6  39  24 o 89.991  3.0505  4405.32    297.325  4067.81    632.385  4501.10    336.882  85.437  6.8925  90.911  3.4213  -5.474190      7.694924  
1 1 1 -6  39  25 o 110.343 3.1439  6632.44    375.737  7242.27    766.965  6439.85    431.000  114.177 6.2254  108.616 3.6636  5.561447       7.223437  
1 1 1 -6  39  26 o 92.348  3.1733  4651.43    317.403  5191.06    654.199  4485.29    362.989  96.368  6.3024  90.568  3.7004  5.799706       7.308451  
1 1 1 -6  39  27 o 101.962 3.0618  5675.90    338.132  5462.21    580.151  5785.83    416.116  99.034  5.4293  102.741 3.7394  -3.707161      6.592480  
1 1 1 -6  39  28 o 37.141  5.9464  791.881    231.141  988.111    456.206  724.112    268.099  39.750  10.456  35.018  7.3049  4.731934       12.75497  
1 1 1 -6  39  29 o 25.982  8.8616  385.859    299.026  517.879    448.752  280.423    401.033  29.963  10.806  25.248  9.9557  4.715307       14.69318  
1 1 1 -6  39  30 o 20.084  7.5875  193.453    225.748  210.233    448.728  187.766    261.211  24.476  10.200  20.672  8.0696  3.804064       13.00578  
1 1 1 -6  39  31 o 23.510  0.8058  299.793    20.518   -814.0148  457.240  302.040    20.539   15.275  7.5491  23.598  0.8036  -8.323087      7.591705  
1 1 1 -6  39  32 o 19.455  8.7161  6.6999     379.086  0.0000     0.0000   6.6999     379.086  ?       ?       19.455  8.7161  0.000000       8.716107  
1 1 1 -6  39  33 o 25.856  11.142  429.170    566.393  0.0000     0.0000   429.170    566.393  ?       ?       25.856  11.142  0.000000       11.14167  
1 1 1 -6  39  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  40  1  o 267.423 4.7747  38752.57   1382.97  39187.85   1956.31  38317.73   1955.31  268.840 6.7185  265.836 6.7910  3.004883       9.552804  
1 1 1 -6  40  2  o 403.329 8.1416  88254.80   3556.65  80619.48   6162.85  92067.70   4355.08  384.697 14.791  411.788 9.7645  -27.09183      17.72331  
1 1 1 -6  40  3  o 405.713 9.7539  89377.78   4286.15  87869.91   6060.82  90886.35   6062.23  401.723 13.929  408.596 13.698  -6.873352      19.53650  
1 1 1 -6  40  4  o 220.562 5.8674  26371.79   1401.68  26815.64   1980.98  25926.77   1983.58  222.303 8.2275  218.579 8.3786  3.723450       11.74272  
1 1 1 -6  40  5  o 522.862 12.273  148746.41  6950.20  137918.50  9827.32  159582.09  9830.83  502.104 18.071  540.472 16.794  -38.36755      24.66928  
1 1 1 -6  40  6  o 286.367 6.4313  44472.64   1994.77  44616.25   2219.66  43869.76   4548.08  286.782 7.1460  283.177 14.881  3.605225       16.50769  
1 1 1 -6  40  7  o 158.383 3.3243  13590.46   570.267  14131.15   805.523  13047.19   807.438  161.472 4.6059  155.150 4.8049  6.322037       6.655921  
1 1 1 -6  40  8  o 256.613 4.6219  35692.76   1284.61  36797.62   1816.50  34587.39   1816.93  260.446 6.4394  252.490 6.6439  7.956833       9.252449  
1 1 1 -6  40  9  o 166.759 3.9679  15070.63   716.667  15569.32   1240.11  14820.56   878.156  169.380 6.7597  165.339 4.9037  4.041519       8.351086  
1 1 1 -6  40  10 o 279.039 6.2864  42249.51   1899.92  42437.46   2116.19  41468.37   4314.11  279.595 6.9881  274.906 14.541  4.688141       16.13267  
1 1 1 -6  40  11 o 58.800  3.0429  1878.32    193.129  1701.47    275.258  2049.80    271.041  55.832  4.5926  61.358  4.1021  -5.525768      6.157830  
1 1 1 -6  40  12 o 200.748 3.8582  21844.07   838.902  22354.14   1188.47  21337.56   1184.31  202.991 5.4056  198.314 5.5137  4.676361       7.721457  
1 1 1 -6  40  13 o 401.133 6.8170  87406.87   2961.77  86423.67   4188.48  88390.16   4188.68  398.245 9.7104  402.779 9.6015  -4.533081      13.65580  
1 1 1 -6  40  14 o 304.176 5.3477  50207.86   1761.83  48113.65   2491.80  52301.41   2491.41  297.436 7.7348  310.164 7.4162  -12.72717      10.71579  
1 1 1 -6  40  15 o 390.629 7.2391  82970.31   3062.79  82005.30   4736.07  83664.00   4015.47  387.236 11.292  391.700 9.4648  -4.464539      14.73409  
1 1 1 -6  40  16 o 386.720 6.6336  81293.90   2778.52  81498.78   3930.29  81089.20   3928.55  386.483 9.3891  385.504 9.4088  0.9784241      13.29212  
1 1 1 -6  40  17 o 308.446 5.8258  51694.69   1946.29  52736.59   2565.68  50282.47   2987.05  311.173 7.6126  303.482 9.0874  7.691620       11.85463  
1 1 1 -6  40  18 o 66.111  2.3715  2368.45    169.814  2137.45    452.506  2406.31    183.204  62.296  6.8178  66.634  2.5384  -4.338451      7.274987  
1 1 1 -6  40  19 o 185.349 3.8943  18643.51   781.793  19048.12   1488.93  18489.50   918.613  186.849 7.3572  184.506 4.5968  2.342804       8.675177  
1 1 1 -6  40  20 o 132.115 3.1689  9469.29    453.455  9280.29    904.280  9532.79    524.113  130.432 6.4010  132.518 3.6516  -2.086395      7.369336  
1 1 1 -6  40  21 o 133.296 3.1892  9645.60    460.433  9957.20    919.224  9541.24    531.979  134.959 6.2885  132.516 3.7064  2.442886       7.299523  
1 1 1 -6  40  22 o 101.852 2.8498  5632.53    314.381  5595.67    655.447  5643.54    358.284  100.892 6.0256  101.912 3.2459  -1.020424      6.844248  
1 1 1 -6  40  23 o 103.654 2.9686  5839.61    333.285  4893.19    671.703  6148.71    383.872  93.986  6.6412  106.312 3.3337  -12.32610      7.430993  
1 1 1 -6  40  24 o 39.209  1.5260  833.500    64.805   974.782    94.467   707.911    89.067   42.382  2.0579  36.036  2.2939  6.346054       3.081748  
1 1 1 -6  40  25 o 27.835  1.8974  422.464    56.864   412.282    58.833   566.968    221.634  27.487  1.9896  31.356  6.7275  -3.869099      7.015570  
1 1 1 -6  40  26 o 40.889  1.3007  906.555    57.606   950.688    59.607   282.131    224.209  41.872  1.3143  22.890  7.6740  18.98190       7.785744  
1 1 1 -6  40  27 o 11.472  2.0987  73.789     25.117   137.880    409.322  73.547     25.165   23.576  9.7760  11.452  2.1064  12.12403       10.00032  
1 1 1 -6  40  28 o 40.571  7.4518  969.701    315.383  1066.47    470.564  890.779    424.954  41.211  10.510  37.800  10.161  3.411438       14.61817  
1 1 1 -6  40  29 o 33.121  8.5667  672.611    309.629  683.144    461.722  664.004    417.389  33.079  11.011  32.634  10.444  0.4453888      15.17629  
1 1 1 -6  40  30 o 55.645  2.6387  1696.67    159.032  1641.49    183.556  1862.77    318.471  54.521  3.1213  57.147  5.2022  -2.625553      6.066805  
1 1 1 -6  40  31 f 19.102  7.5114  169.009    227.695  363.394    464.338  107.470    261.263  25.705  10.509  18.593  7.7684  7.111219       13.06862  
1 1 1 -6  40  32 o 48.582  2.5698  1305.55    134.742  0.0000     0.0000   1305.55    134.742  ?       ?       48.582  2.5698  0.000000       2.569804  
1 1 1 -6  40  33 o 22.577  10.279  115.625    552.740  0.0000     0.0000   115.625    552.740  ?       ?       22.577  10.279  0.000000       10.27923  
1 1 1 -6  40  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  41  1  f 278.970 5.0252  42176.35   1518.39  41690.86   2147.70  42661.49   2146.95  277.257 7.1519  280.470 7.0675  -3.213745      10.05480  
1 1 1 -6  41  2  o 406.695 6.8512  89695.49   3017.92  89159.64   4268.13  90231.27   4267.83  405.198 9.7252  407.633 9.6665  -2.434570      13.71207  
1 1 1 -6  41  3  o 474.674 7.9145  122249.30  4068.99  122633.90  5754.51  121864.70  5754.34  474.977 11.186  473.479 11.221  1.497559       15.84387  
1 1 1 -6  41  4  o 760.641 17.798  316449.31  14663.27 309002.81  20736.04 323897.09  20737.94 747.705 25.605  765.875 25.000  -18.16949      35.78562  
1 1 1 -6  41  5  o 241.093 6.2180  31519.02   1623.69  29336.40   2293.41  33712.44   2299.08  232.423 9.1103  249.199 8.5180  -16.77625      12.47214  
1 1 1 -6  41  6  o 273.672 6.9419  40631.37   2057.68  43715.13   2909.61  37545.94   2910.39  283.654 9.4706  262.807 10.225  20.84659       13.93676  
1 1 1 -6  41  7  o 573.824 11.011  179179.00  6843.16  177897.00  8380.18  181744.59  11855.37 571.063 13.549  575.181 19.030  -4.117676      23.36049  
1 1 1 -6  41  8  o 238.983 4.3455  30955.22   1124.81  31139.67   1589.98  30770.43   1591.45  239.596 6.1269  238.169 6.1693  1.427460       8.694833  
1 1 1 -6  41  9  o 294.010 6.0016  46893.07   1911.17  48141.80   3308.89  46267.94   2341.18  297.409 10.272  291.914 7.4047  5.495392       12.66276  
1 1 1 -6  41  10 o 110.617 3.3793  6630.35    404.871  6467.98    497.689  6948.06    696.180  109.236 4.2065  113.031 5.7050  -3.794800      7.088171  
1 1 1 -6  41  11 o 190.967 3.7561  19765.48   776.901  20220.34   1097.62  19308.83   1099.79  193.079 5.2487  188.669 5.3819  4.409637       7.517551  
1 1 1 -6  41  12 o 260.807 4.7309  36887.50   1336.40  36970.61   1889.73  36804.36   1890.19  260.921 6.6869  260.332 6.7036  0.5891418      9.468477  
1 1 1 -6  41  13 o 357.167 6.1486  69260.16   2378.60  71977.48   3364.96  66546.45   3362.73  363.678 8.5426  349.620 8.8803  14.05832       12.32216  
1 1 1 -6  41  14 o 500.645 8.4119  136434.91  4561.37  136007.80  6450.83  136862.09  6450.67  498.567 11.946  500.146 11.908  -1.579681      16.86731  
1 1 1 -6  41  15 o 245.787 4.5059  32767.95   1199.54  32811.59   1697.84  32724.46   1694.97  245.755 6.3786  245.428 6.3763  0.3262482      9.019064  
1 1 1 -6  41  16 o 66.394  3.0845  2389.26    221.815  2600.86    324.093  2202.80    304.236  69.107  4.3521  63.567  4.4468  5.539593       6.222164  
1 1 1 -6  41  17 o 146.302 3.3742  11604.83   534.682  12019.22   740.079  11152.37   773.325  148.819 4.5914  143.325 4.9816  5.493820       6.774789  
1 1 1 -6  41  18 o 77.381  3.4934  3247.45    292.793  3371.42    510.598  3186.70    357.390  78.501  6.0520  76.503  4.3309  1.998024       7.441991  
1 1 1 -6  41  19 o 174.257 3.5953  16475.53   678.571  15735.34   1358.31  16721.69   783.321  169.784 7.3864  175.502 4.1209  -5.718353      8.458146  
1 1 1 -6  41  20 o 158.534 3.4128  13641.03   586.014  14245.37   1174.79  13440.84   676.142  161.494 6.7163  157.305 3.9685  4.189423       7.801168  
1 1 1 -6  41  21 o 97.023  2.7938  5107.92    293.591  5710.16    625.111  4937.48    332.550  102.116 5.6743  95.360  3.2198  6.755905       6.524133  
1 1 1 -6  41  22 o 105.745 2.9739  6073.75    340.606  5617.30    686.279  6222.92    392.337  100.981 6.3062  106.989 3.3857  -6.007347      7.157594  
1 1 1 -6  41  23 o 107.552 2.9841  6288.23    347.622  6303.48    701.286  6283.26    400.256  106.880 6.0832  107.443 3.4395  -0.5628738     6.988186  
1 1 1 -6  41  24 o 16.862  6.5389  102.160    170.635  446.588    397.178  24.198     188.962  29.230  10.202  15.682  6.5829  13.54819       12.14127  
1 1 1 -6  41  25 o 53.663  2.2938  1564.72    133.323  1574.73    471.196  1563.84    139.003  52.110  8.6520  53.641  2.3925  -1.530575      8.976697  
1 1 1 -6  41  26 o 50.538  4.1949  1410.71    227.544  1357.31    472.660  1426.81    259.606  47.771  9.4697  50.680  4.7861  -2.908672      10.61043  
1 1 1 -6  41  27 o 59.253  5.4788  1969.41    347.632  2177.26    512.989  1792.91    472.727  61.232  7.9206  55.393  8.1204  5.839397       11.34356  
1 1 1 -6  41  28 o 74.632  3.4647  3056.94    280.070  3493.24    583.429  2926.29    319.261  77.956  6.9839  72.731  4.0691  5.224777       8.082872  
1 1 1 -6  41  29 o 62.688  4.0658  2183.04    274.574  1828.85    537.163  2308.31    319.462  54.470  9.4474  64.237  4.6225  -9.766300      10.51764  
1 1 1 -6  41  30 o 82.580  2.9464  3751.15    263.534  3938.42    383.175  3583.07    363.026  83.833  4.2337  79.970  4.2060  3.862808       5.967775  
1 1 1 -6  41  31 o 36.725  6.3983  821.250    245.256  905.865    499.495  794.369    281.530  34.662  11.449  35.348  7.5808  -0.6855431     13.73127  
1 1 1 -6  41  32 o 27.925  9.7611  549.632    363.674  0.0000     0.0000   549.632    363.674  ?       ?       27.925  9.7611  0.000000       9.761086  
1 1 1 -6  41  33 o 29.421  11.787  731.889    570.738  0.0000     0.0000   731.889    570.738  ?       ?       29.421  11.787  0.000000       11.78675  
1 1 1 -6  41  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  42  1  o 345.122 6.0488  64576.58   2261.05  63739.56   3197.95  65413.25   3197.28  342.679 8.6161  347.159 8.5032  -4.480255      12.10545  
1 1 1 -6  42  2  o 77.729  2.6618  3272.65    224.096  3156.24    315.597  3391.04    318.258  76.228  3.8347  79.114  3.7141  -2.885399      5.338532  
1 1 1 -6  42  3  o 176.736 3.5312  16922.51   675.949  16644.72   956.971  17199.11   954.904  175.242 5.0418  178.140 4.9491  -2.897232      7.064986  
1 1 1 -6  42  4  o 132.110 3.0452  9454.75    435.739  9592.67    616.016  9316.64    616.439  133.050 4.2747  131.120 4.3406  1.929550       6.092124  
1 1 1 -6  42  5  o 374.574 10.842  76306.05   4398.68  74599.83   5281.91  80167.09   7945.58  369.988 13.181  381.723 19.280  -11.73425      23.35509  
1 1 1 -6  42  6  o 194.913 5.3555  20597.05   1130.61  19588.85   1596.69  21610.92   1601.17  189.966 7.7602  199.550 7.4082  -9.584610      10.72861  
1 1 1 -6  42  7  o 395.814 9.5622  85173.13   4099.40  92907.80   5797.29  77437.78   5797.55  412.727 12.969  376.533 14.216  36.19363       19.24247  
1 1 1 -6  42  8  f 319.264 7.8989  55358.60   2731.40  55240.30   3861.25  55477.09   3864.32  318.464 11.194  319.148 11.179  -0.6842651     15.82046  
1 1 1 -6  42  9  f 358.590 8.7258  69897.92   3389.02  67980.68   4790.72  71818.51   4794.88  352.936 12.532  362.835 12.201  -9.898468      17.49081  
1 1 1 -6  42  10 o 239.276 4.7076  31042.21   1220.03  31989.94   1616.66  29788.41   1859.48  242.799 6.1475  234.196 7.3306  8.603333       9.567155  
1 1 1 -6  42  11 f 107.805 2.8965  6296.98    338.205  6200.62    473.753  6397.12    482.968  106.951 4.0898  108.632 4.1048  -1.681076      5.794436  
1 1 1 -6  42  12 o 186.439 3.8245  18841.75   772.296  18401.37   1035.75  19393.17   1159.00  184.175 5.1922  189.043 5.6605  -4.867630      7.681142  
1 1 1 -6  42  13 o 99.967  2.8917  5415.10    313.097  5384.72    449.942  5443.62    435.960  99.656  4.1685  100.204 4.0169  -0.5477524     5.788985  
1 1 1 -6  42  14 o 157.586 3.3678  13459.81   574.820  14343.07   814.856  12584.90   810.993  162.613 4.6265  152.306 4.9162  10.30783       6.750840  
1 1 1 -6  42  15 o 26.009  5.6216  381.480    153.747  415.655    229.097  353.475    207.383  27.233  7.5195  25.209  7.2239  2.024225       10.42722  
1 1 1 -6  42  16 o 122.458 3.0815  8128.15    408.710  8075.44    580.159  8180.09    575.873  122.006 4.3903  122.797 4.3298  -0.7909393     6.166202  
1 1 1 -6  42  17 o 113.769 3.0217  7016.07    372.339  7330.65    533.749  6717.86    519.668  116.238 4.2395  111.271 4.3120  4.967934       6.047036  
1 1 1 -6  42  18 o 185.480 3.7365  18663.13   750.632  18732.52   1064.73  18594.56   1058.40  185.662 5.2948  184.979 5.2827  0.6834869      7.479430  
1 1 1 -6  42  19 o 139.467 3.2098  10550.56   484.864  10773.31   972.379  10476.85   559.365  140.600 6.3853  138.941 3.7170  1.659378       7.388352  
1 1 1 -6  42  20 o 143.337 3.2654  11150.71   506.946  10598.81   1010.94  11336.12   585.941  139.258 6.7025  144.474 3.7445  -5.216293      7.677564  
1 1 1 -6  42  21 o 189.601 3.7743  19543.11   775.079  21837.19   1553.28  18782.51   894.385  199.416 7.1915  185.737 4.4459  13.67892       8.454805  
1 1 1 -6  42  22 o 66.620  2.5743  2409.26    185.751  2746.59    458.160  2342.90    203.200  70.505  6.0586  65.679  2.8565  4.826057       6.698168  
1 1 1 -6  42  23 o 30.222  5.0701  513.428    160.088  505.230    334.075  515.871    182.393  29.963  9.3113  30.152  5.7956  -0.1882782     10.96766  
1 1 1 -6  42  24 o 94.954  3.0682  4907.23    315.544  5531.04    661.833  4723.71    358.970  99.883  6.1475  93.081  3.5606  6.802261       7.104238  
1 1 1 -6  42  25 o 74.193  3.3923  3003.17    272.602  3199.13    565.302  2943.79    311.173  75.384  7.0037  73.261  3.9360  2.123039       8.033899  
1 1 1 -6  42  26 o 53.921  2.4951  1582.18    145.719  1529.35    492.618  1587.25    152.546  50.807  9.2944  53.995  2.6084  -3.188091      9.653510  
1 1 1 -6  42  27 o 33.880  8.2753  686.315    301.059  344.423    449.675  964.055    405.297  27.451  10.623  39.790  9.5300  -12.33927      14.27156  
1 1 1 -6  42  28 o 34.973  7.0606  721.531    258.239  846.794    464.444  665.475    310.692  36.598  10.902  33.079  8.5940  3.519344       13.88173  
1 1 1 -6  42  29 o 33.713  1.6242  617.722    59.305   716.341    85.719   527.178    82.135   36.185  2.1976  30.975  2.4687  5.209560       3.305105  
1 1 1 -6  42  30 o 50.496  4.6617  1448.72    252.079  1902.44    522.902  1311.35    287.720  54.642  9.1594  47.476  5.7098  7.166431       10.79339  
1 1 1 -6  42  31 o 47.394  5.2035  1312.14    262.713  1048.83    525.838  1399.73    303.276  36.931  11.712  48.481  5.8971  -11.54959      13.11266  
1 1 1 -6  42  32 o 22.257  9.0975  254.666    347.872  0.0000     0.0000   254.666    347.872  ?       ?       22.257  9.0975  0.000000       9.097545  
1 1 1 -6  42  33 o 57.328  12.273  2723.38    739.035  0.0000     0.0000   2723.38    739.035  ?       ?       57.328  12.273  0.000000       12.27254  
1 1 1 -6  42  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  43  1  o 248.402 4.8533  33442.12   1305.76  32960.70   1729.27  34080.71   1991.65  246.533 6.4762  250.637 7.3367  -4.103973      9.786085  
1 1 1 -6  43  2  o 202.552 3.8250  22229.54   839.148  21870.34   1187.21  22588.16   1186.25  200.858 5.4572  204.131 5.3654  -3.273071      7.652988  
1 1 1 -6  43  3  o 214.010 4.0353  24817.43   935.355  24267.20   1322.81  25367.63   1322.77  211.561 5.7729  216.311 5.6459  -4.749084      8.074826  
1 1 1 -6  43  4  o 276.274 4.8710  41371.05   1457.57  40829.63   2061.54  41912.25   2061.10  274.337 6.9380  277.957 6.8462  -3.619781      9.747155  
1 1 1 -6  43  5  o 179.707 3.5928  17498.01   699.311  17782.31   989.236  17214.00   988.714  181.117 5.0428  178.197 5.1227  2.920517       7.188321  
1 1 1 -6  43  6  o 380.098 10.908  78628.33   4490.69  78043.02   5390.70  79955.55   8117.58  378.257 13.158  380.672 19.756  -2.415253      23.73678  
1 1 1 -6  43  7  o 629.429 14.848  216668.80  10122.66 218218.00  14314.66 215119.20  14316.55 628.598 21.025  624.028 21.182  4.569763       29.84501  
1 1 1 -6  43  8  o 359.362 8.7430  70191.83   3403.02  67653.33   4811.29  72733.07   4813.90  352.112 12.616  365.188 12.171  -13.07538      17.52933  
1 1 1 -6  43  9  o 164.479 4.8687  14668.63   867.351  14858.25   1222.63  14476.52   1230.65  165.442 6.8230  163.296 6.9581  2.146805       9.745188  
1 1 1 -6  43  10 o 193.068 3.7668  20202.51   787.682  21038.54   1112.20  19361.20   1115.71  196.950 5.2138  188.923 5.4525  8.027695       7.544121  
1 1 1 -6  43  11 o 204.238 3.9383  22610.95   871.196  22703.47   1231.25  22518.19   1232.86  204.560 5.5572  203.722 5.5874  0.8384705      7.880436  
1 1 1 -6  43  12 o 249.527 4.8215  33770.24   1303.07  33248.51   1724.84  34463.91   1988.86  247.445 6.4358  251.831 7.2916  -4.385773      9.725571  
1 1 1 -6  43  13 o 251.241 4.5876  34234.28   1248.36  35413.63   1765.85  33056.00   1765.05  255.356 6.3847  246.684 6.6061  8.671219       9.187217  
1 1 1 -6  43  14 o 251.004 4.5881  34173.88   1247.34  34820.24   1764.65  33528.46   1763.37  253.172 6.4353  248.417 6.5538  4.754974       9.185085  
1 1 1 -6  43  15 o 106.970 2.9817  6201.34    345.458  6596.29    499.310  5838.69    478.460  110.284 4.1801  103.755 4.2576  6.529137       5.966607  
1 1 1 -6  43  16 o 140.528 3.3375  10705.93   507.983  10832.23   708.925  10572.65   728.257  141.285 4.6327  139.570 4.8175  1.714676       6.683582  
1 1 1 -6  43  17 o 108.053 2.9721  6328.85    347.830  6733.91    499.530  5947.62    484.620  111.407 4.1398  104.695 4.2737  6.712463       5.949993  
1 1 1 -6  43  18 o 48.866  3.6801  1302.76    193.349  1241.38    290.331  1351.69    259.185  47.429  5.7706  49.645  4.8834  -2.215744      7.559552  
1 1 1 -6  43  19 o 115.720 3.0301  7263.05    379.785  7665.03    761.914  7130.15    438.090  118.626 5.9300  114.626 3.5287  3.999649       6.900494  
1 1 1 -6  43  20 o 182.328 3.6677  18056.12   724.298  19015.50   1450.66  17737.54   835.952  186.333 7.1879  180.617 4.2732  5.715668       8.362206  
1 1 1 -6  43  21 o 123.284 3.0791  8253.59    411.150  7852.21    841.810  8379.33    471.171  119.507 6.5282  124.169 3.5034  -4.662254      7.408919  
1 1 1 -6  43  22 o 57.356  3.2346  1794.18    200.123  1669.06    410.136  1833.27    229.268  54.568  7.1080  57.921  3.6736  -3.352806      8.001209  
1 1 1 -6  43  23 o 84.564  3.0034  3888.62    275.082  3959.98    601.763  3869.78    309.289  84.422  6.6346  84.312  3.3869  0.1101456      7.449111  
1 1 1 -6  43  24 o 199.389 4.1675  21736.75   900.007  23765.36   2232.57  21343.11   983.459  203.797 10.114  197.370 4.6005  6.426956       11.11146  
1 1 1 -6  43  25 o 178.628 3.7067  17436.88   717.135  18851.69   1442.38  16972.29   826.532  183.403 7.2611  175.939 4.3374  7.463669       8.457931  
1 1 1 -6  43  26 o 83.914  4.6882  3892.18    424.398  4156.67    616.395  3653.79    585.198  85.850  6.6816  80.411  6.7825  5.439003       9.520843  
1 1 1 -6  43  27 o 31.020  1.3599  522.036    45.689   -6.4114    435.082  527.928    45.943   22.142  9.6519  31.194  1.3598  -9.051964      9.747210  
1 1 1 -6  43  28 o 61.677  3.9071  2104.45    259.659  2739.14    534.673  1908.56    297.039  68.719  7.2952  58.435  4.7339  10.28394       8.696527  
1 1 1 -6  43  29 o 79.116  2.7585  3426.62    236.377  4115.38    331.291  2712.37    337.366  86.403  3.5401  69.639  4.4968  16.76423       5.723079  
1 1 1 -6  43  30 o 49.540  2.4651  1345.41    132.273  1792.57    527.318  1315.38    136.641  52.384  9.6496  48.888  2.5897  3.495594       9.991050  
1 1 1 -6  43  31 o 16.676  7.1576  44.404     232.017  -176.0834  473.891  113.920    266.090  19.694  9.1628  18.753  7.8378  0.9411564      12.05772  
1 1 1 -6  43  32 o 29.703  9.5548  631.730    349.034  0.0000     0.0000   631.730    349.034  ?       ?       29.703  9.5548  0.000000       9.554846  
1 1 1 -6  43  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  43  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  44  1  o 175.598 3.4950  16705.90   664.711  16560.11   940.298  16851.54   939.789  174.791 4.9668  176.324 4.9210  -1.532776      6.991784  
1 1 1 -6  44  2  o 219.850 4.3770  26193.85   1042.26  25881.01   1387.17  26599.43   1579.43  218.473 5.8622  221.448 6.5851  -2.975098      8.816374  
1 1 1 -6  44  3  o 191.717 3.9070  19916.43   811.292  19535.68   1219.15  20219.04   1086.88  189.805 5.9304  193.125 5.1961  -3.320831      7.884684  
1 1 1 -6  44  4  o 443.071 7.4627  106545.90  3581.27  110229.10  5065.20  102864.20  5064.16  450.203 10.388  434.837 10.753  15.36566       14.95060  
1 1 1 -6  44  5  o 235.315 4.3378  30010.91   1105.59  29442.43   1562.98  30580.20   1564.10  232.981 6.1939  237.447 6.0817  -4.465714      8.680530  
1 1 1 -6  44  6  o 354.331 6.1203  68104.41   2348.82  69318.63   3321.50  66889.84   3321.98  357.191 8.5855  350.857 8.7417  6.334320       12.25265  
1 1 1 -6  44  7  o 126.951 3.4776  8732.80    478.166  8734.03    829.717  8732.20    585.101  126.887 6.0373  126.928 4.2560  -0.4088593E-01 7.386630  
1 1 1 -6  44  8  o 88.048  4.0312  4201.74    384.433  4261.05    558.751  4148.42    529.749  88.434  5.8668  87.273  5.6344  1.160683       8.134234  
1 1 1 -6  44  9  o 109.567 4.1364  6507.21    490.876  6701.25    687.526  6305.45    701.081  110.993 5.7386  107.630 6.0384  3.363174       8.330313  
1 1 1 -6  44  10 o 124.250 4.4518  8370.17    599.107  8263.08    830.852  8486.15    864.692  123.227 6.2455  124.867 6.4152  -1.640373      8.953317  
1 1 1 -6  44  11 f 296.145 6.0434  47603.69   1938.45  47734.08   2374.00  47342.84   3357.81  296.383 7.3953  294.652 10.521  1.730774       12.86051  
1 1 1 -6  44  12 f 56.121  3.2973  1712.81    199.544  1581.26    288.617  1833.27    276.188  53.758  5.0148  57.976  4.4319  -4.217735      6.692529  
1 1 1 -6  44  13 o 234.464 4.3343  29811.04   1100.70  30865.66   1557.31  28758.30   1555.93  238.425 6.0305  230.120 6.2426  8.304596       8.679689  
1 1 1 -6  44  14 o 94.789  2.9376  4869.08    301.589  4846.67    436.113  4889.63    417.515  94.536  4.2592  94.960  4.0594  -0.4241714     5.883850  
1 1 1 -6  44  15 o 193.631 3.8057  20329.71   798.135  20734.90   1130.28  19926.73   1127.19  195.432 5.3397  191.578 5.4323  3.854706       7.617249  
1 1 1 -6  44  16 o 111.354 2.9916  6720.95    360.812  6963.14    515.623  6488.58    505.072  113.294 4.2020  109.363 4.2640  3.931618       5.986479  
1 1 1 -6  44  17 o 121.891 3.1307  8054.98    413.313  7746.16    596.479  8340.20    573.239  119.453 4.6103  123.970 4.2692  -4.517021      6.283373  
1 1 1 -6  44  18 o 97.009  2.8325  5102.03    297.617  5370.43    409.765  4802.35    432.982  99.483  3.8029  94.051  4.2504  5.432030       5.703354  
1 1 1 -6  44  19 o 215.861 4.3488  25318.41   1016.74  25012.36   2586.57  25374.34   1105.75  212.251 11.292  216.034 4.7257  -3.782883      12.24095  
1 1 1 -6  44  20 o 152.461 3.3573  12621.17   554.400  12591.05   1105.51  12631.29   640.802  151.680 6.7292  152.455 3.8807  -0.7751007     7.768047  
1 1 1 -6  44  21 o 121.634 3.0522  8035.16    402.098  8011.41    806.977  8043.01    463.771  120.764 6.1903  121.636 3.5202  -0.8715897     7.121262  
1 1 1 -6  44  22 o 18.097  1.3679  178.498    26.615   178.499    26.956   178.458    167.841  18.095  1.3859  19.016  6.6321  -0.9202671     6.775322  
1 1 1 -6  44  23 o 120.511 3.0500  7899.26    398.105  9372.66    833.577  7463.89    453.121  130.495 5.8977  117.048 3.5742  13.44682       6.896220  
1 1 1 -6  44  24 o 91.589  3.2270  4570.20    320.118  4648.68    651.759  4545.25    367.500  91.271  6.6385  91.249  3.7184  0.2153015E-01  7.608963  
1 1 1 -6  44  25 o 62.307  2.2915  2109.93    154.641  2086.83    218.806  2132.98    218.586  61.764  3.2826  62.453  3.2426  -0.6886139     4.614117  
1 1 1 -6  44  26 o 29.066  1.7386  460.311    54.485   460.154    55.011   468.432    394.899  29.060  1.7560  29.187  10.173  -0.1269493     10.32367  
1 1 1 -6  44  27 o 46.689  2.1654  1186.03    109.504  1205.17    120.411  1094.52    263.308  46.983  2.3739  43.931  5.6658  3.051922       6.143053  
1 1 1 -6  44  28 o 25.567  1.7541  356.928    48.280   354.676    49.227   413.780    247.292  25.481  1.7952  26.435  7.9732  -0.9536839     8.172744  
1 1 1 -6  44  29 o 53.792  4.3828  1621.54    253.132  1054.43    520.156  1797.53    289.758  39.646  11.464  56.477  4.7818  -16.83125      12.42117  
1 1 1 -6  44  30 o 53.171  2.4607  1550.89    141.714  2067.54    533.771  1511.72    146.989  56.733  8.9860  52.460  2.5869  4.272984       9.350990  
1 1 1 -6  44  31 o 53.650  2.5909  1585.95    150.552  0.0000     0.0000   1585.95    150.552  ?       ?       53.650  2.5909  0.000000       2.590874  
1 1 1 -6  44  32 o 35.730  9.1407  895.360    355.178  0.0000     0.0000   895.360    355.178  ?       ?       35.730  9.1407  0.000000       9.140696  
1 1 1 -6  44  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  44  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  45  1  o 198.552 3.8540  21361.80   828.811  20663.40   1172.35  22059.63   1171.88  195.219 5.5445  201.714 5.3638  -6.495377      7.714452  
1 1 1 -6  45  2  f 292.680 5.3347  46442.16   1691.11  43782.45   2391.87  49100.63   2391.31  283.997 7.7759  300.790 7.3401  -16.79306      10.69310  
1 1 1 -6  45  3  o 283.061 5.0872  43436.56   1559.65  43396.68   2205.99  43476.41   2205.35  282.783 7.2024  283.043 7.1938  -0.2603455     10.17965  
1 1 1 -6  45  4  o 318.121 5.8873  54885.44   2028.50  54697.43   3121.92  55022.82   2668.60  317.257 9.0853  318.350 7.7394  -1.093323      11.93489  
1 1 1 -6  45  5  o 299.444 5.2427  48617.74   1700.35  48899.42   2404.32  48335.90   2404.99  300.131 7.3962  298.392 7.4414  1.738770       10.49186  
1 1 1 -6  45  6  o 206.741 3.9071  23163.15   874.882  23152.64   1236.62  23173.68   1237.92  206.621 5.5258  206.715 5.5290  -0.9370422E-01 7.816926  
1 1 1 -6  45  7  o 187.954 3.6500  19143.71   743.056  19423.06   1051.78  18865.36   1049.90  189.261 5.1309  186.521 5.1970  2.740067       7.303061  
1 1 1 -6  45  8  o 244.614 5.6571  32457.97   1498.82  34720.53   2375.50  30961.52   1931.90  252.714 8.6787  238.762 7.4705  13.95183       11.45113  
1 1 1 -6  45  9  o 166.408 4.9243  15016.94   887.539  14093.96   1255.70  15938.37   1254.64  161.089 7.1970  171.335 6.7609  -10.24573      9.874516  
1 1 1 -6  45  10 o 73.965  4.0663  2974.64    324.511  2711.64    450.985  3257.02    467.306  70.436  5.9676  77.275  5.6218  -6.839462      8.198631  
1 1 1 -6  45  11 o 266.327 6.8006  38525.95   1961.71  38282.04   2772.94  38770.33   2775.61  265.085 9.6580  266.778 9.6059  -1.693726      13.62167  
1 1 1 -6  45  12 o 51.407  4.6643  1445.04    256.880  1168.85    361.072  1728.10    365.535  45.773  7.5461  56.087  6.1164  -10.31412      9.713552  
1 1 1 -6  45  13 o 250.283 4.5769  33975.92   1240.71  34704.04   1755.93  33249.95   1753.33  252.764 6.4139  247.397 6.5433  5.367218       9.162597  
1 1 1 -6  45  14 o 351.632 6.0818  67158.31   2316.28  68239.12   3276.09  66078.00   3275.33  353.943 8.5458  348.260 8.6832  5.682495       12.18315  
1 1 1 -6  45  15 o 229.976 4.2990  28689.67   1070.82  28493.77   1515.59  28884.94   1513.16  228.997 6.1106  230.570 6.0592  -1.572952      8.605394  
1 1 1 -6  45  16 o 223.190 4.1958  27024.29   1014.28  26484.80   1435.94  27561.50   1432.88  220.747 6.0058  225.206 5.8743  -4.459930      8.401052  
1 1 1 -6  45  17 o 211.407 4.0508  24251.07   927.530  25092.15   1317.56  23424.73   1305.97  214.841 5.6622  207.559 5.8093  7.281876       8.112192  
1 1 1 -6  45  18 o 72.189  3.0502  2826.04    238.490  2881.19    349.497  2777.98    326.252  72.698  4.4602  71.403  4.2376  1.295364       6.152278  
1 1 1 -6  45  19 o 138.406 3.1731  10393.95   475.674  10296.52   954.568  10426.14   548.646  137.349 6.4167  138.576 3.6554  -1.227417      7.384851  
1 1 1 -6  45  20 o 135.031 3.1680  9899.00    463.330  11322.18   929.312  9428.21    534.500  143.957 5.9602  131.715 3.7466  12.24155       7.039940  
1 1 1 -6  45  21 o 57.850  2.2442  1815.33    140.612  1939.93    179.283  1616.19    226.656  59.776  2.7691  54.360  3.8750  5.416073       4.762715  
1 1 1 -6  45  22 o 111.703 2.9933  6782.03    362.152  7481.22    729.923  6553.71    417.112  116.741 5.7728  109.731 3.5096  7.009537       6.755862  
1 1 1 -6  45  23 f 58.382  2.4787  1851.41    156.737  1745.54    200.296  2018.66    251.739  56.531  3.2855  60.716  3.8480  -4.184875      5.059751  
1 1 1 -6  45  24 o 188.905 4.4482  19554.27   910.112  18855.23   1576.76  19903.53   1114.51  183.163 7.9480  190.050 5.4144  -6.887375      9.616995  
1 1 1 -6  45  25 o 29.123  8.6189  492.751    291.010  684.149    431.113  332.540    394.430  34.070  10.576  26.742  10.045  7.328053       14.58602  
1 1 1 -6  45  26 o 73.214  3.4930  2933.37    276.989  3319.22    563.219  2810.28    318.119  76.478  6.8728  71.400  4.1313  5.078125       8.018893  
1 1 1 -6  45  27 o 59.413  3.9951  1951.51    255.593  2207.08    515.730  1868.30    294.274  61.465  7.9319  57.889  4.7348  3.576744       9.237589  
1 1 1 -6  45  28 o 43.426  5.2066  1067.78    240.009  625.706    479.939  1215.20    277.154  32.204  11.216  46.190  5.6583  -13.98544      12.56224  
1 1 1 -6  45  29 o 22.717  7.7301  294.165    227.531  362.135    462.262  272.433    261.388  26.951  10.669  22.594  8.2321  4.356621       13.47585  
1 1 1 -6  45  30 o 27.288  7.5029  470.100    228.649  700.781    483.678  403.713    259.472  31.518  11.235  25.315  8.2465  6.202955       13.93647  
1 1 1 -6  45  31 o 30.228  8.0153  599.060    266.695  0.0000     0.0000   599.060    266.695  ?       ?       30.228  8.0153  0.000000       8.015330  
1 1 1 -6  45  32 o 46.776  2.4322  1209.99    122.801  0.0000     0.0000   1209.99    122.801  ?       ?       46.776  2.4322  0.000000       2.432248  
1 1 1 -6  45  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  46  1  o 181.179 3.7845  17787.50   742.659  17644.85   1111.86  17902.42   997.914  180.383 5.6909  181.721 5.0701  -1.337021      7.621862  
1 1 1 -6  46  2  o 391.515 7.1688  83190.73   3039.94  82062.28   4699.18  84002.84   3986.46  388.253 11.175  393.122 9.3624  -4.869934      14.57842  
1 1 1 -6  46  3  f 268.725 4.6705  39143.78   1359.38  36849.16   1922.08  41440.16   1922.82  260.592 6.8099  276.380 6.4234  -15.78741      9.361310  
1 1 1 -6  46  4  o 454.270 7.6457  112044.90  3761.83  111002.20  5320.09  113087.40  5319.98  451.554 10.878  455.798 10.776  -4.243652      15.31187  
1 1 1 -6  46  5  o 167.155 3.4082  15139.49   617.049  15089.97   871.897  15189.17   873.383  166.837 4.8251  167.385 4.8175  -0.5477600     6.818296  
1 1 1 -6  46  6  o 164.301 3.4099  14627.18   606.807  14000.84   858.341  15252.96   857.968  160.695 4.9316  167.735 4.7225  -7.039902      6.828099  
1 1 1 -6  46  7  o 221.165 4.1317  26512.36   989.731  26494.42   1399.61  26530.31   1399.77  220.995 5.8473  221.145 5.8440  -0.1498413     8.266991  
1 1 1 -6  46  8  f 94.460  3.2745  4834.92    335.019  5167.40    598.802  4683.42    404.201  97.430  5.6992  92.955  4.0147  4.475700       6.971300  
1 1 1 -6  46  9  o 156.834 3.9812  13332.77   676.272  13600.59   784.099  12554.93   1336.28  158.378 4.5709  151.751 8.1601  6.627502       9.353086  
1 1 1 -6  46  10 o 168.117 5.3257  15333.02   969.755  16105.93   1246.46  14147.73   1543.57  172.216 6.6825  160.995 8.8865  11.22078       11.11865  
1 1 1 -6  46  11 f 110.269 4.1631  6592.42    497.214  6771.04    699.136  6409.62    707.268  111.543 5.8070  108.494 6.0427  3.048752       8.380703  
1 1 1 -6  46  12 f 140.277 4.5115  10671.69   685.459  10571.82   968.367  10771.99   970.407  139.518 6.4082  140.836 6.3617  -1.317551      9.029756  
1 1 1 -6  46  13 o 149.325 4.6681  12095.15   754.998  11345.20   1067.91  12844.59   1067.55  144.488 6.8239  153.771 6.4098  -9.283005      9.362220  
1 1 1 -6  46  14 o 103.462 3.0024  5801.30    336.454  5864.43    479.533  5740.10    472.188  103.984 4.2578  102.877 4.2377  1.107452       6.007189  
1 1 1 -6  46  15 o 42.782  2.1532  994.127    99.453   899.042    277.877  1008.10    106.508  40.139  6.6226  43.074  2.2912  -2.934170      7.007774  
1 1 1 -6  46  16 o 63.315  3.3067  2179.35    225.976  2542.56    331.968  1865.73    308.480  68.298  4.5131  58.415  4.9215  9.883068       6.677479  
1 1 1 -6  46  17 o 75.233  3.0422  3068.76    247.893  2957.32    359.032  3170.28    342.686  73.665  4.5218  76.316  4.1616  -2.651001      6.145319  
1 1 1 -6  46  18 o 98.394  2.8724  5249.78    306.115  5455.54    471.122  5099.45    402.708  100.220 4.3402  96.926  3.8360  3.294533       5.792437  
1 1 1 -6  46  19 o 167.170 4.2475  15190.29   769.063  14361.93   1540.28  15465.38   887.625  161.322 8.8490  168.580 4.8613  -7.257416      10.09640  
1 1 1 -6  46  20 o 284.381 5.0859  44100.41   1566.54  46066.99   3133.58  43445.17   1808.78  287.786 10.053  281.915 5.9238  5.871887       11.66859  
1 1 1 -6  46  21 o 49.671  3.4604  1348.10    185.001  932.139    377.244  1479.81    212.280  40.188  8.9013  52.007  3.7948  -11.81883      9.676404  
1 1 1 -6  46  22 o 101.080 2.9819  5554.10    326.454  5670.98    649.179  5514.54    377.682  101.406 5.9365  100.653 3.4644  0.7531052      6.873434  
1 1 1 -6  46  23 o 78.126  2.7544  3318.17    233.077  3220.54    565.577  3338.15    255.808  75.894  6.9579  78.331  3.0152  -2.436661      7.583073  
1 1 1 -6  46  24 o 75.376  4.8217  3132.78    391.579  3313.97    565.819  2966.23    542.473  76.845  6.8706  72.629  6.9821  4.216103       9.795660  
1 1 1 -6  46  25 o 135.162 4.6997  10053.57   688.007  10579.28   982.659  9548.05    963.599  137.595 6.5937  130.401 6.8465  7.194214       9.505343  
1 1 1 -6  46  26 o 64.779  3.6342  2306.20    253.952  2133.93    530.827  2357.33    289.194  60.476  8.3246  65.364  4.1057  -4.888111      9.282037  
1 1 1 -6  46  27 o 28.455  6.7674  477.025    205.526  397.226    445.666  498.580    231.628  28.095  10.650  28.973  7.3652  -0.8776531     12.94831  
1 1 1 -6  46  28 f 26.497  7.3259  418.704    217.289  -161.8093  455.884  589.351    247.171  20.647  9.3752  31.362  7.3966  -10.71519      11.94170  
1 1 1 -6  46  29 o 24.787  7.5425  371.249    220.584  924.708    468.497  213.611    250.032  37.059  10.927  20.978  7.9708  16.08085       13.52531  
1 1 1 -6  46  30 f 35.231  6.4065  753.106    235.457  842.029    497.474  727.435    267.292  33.842  11.431  33.988  7.4650  -0.1467400     13.65222  
1 1 1 -6  46  31 o 43.167  6.1758  1127.44    280.515  0.0000     0.0000   1127.44    280.515  ?       ?       43.167  6.1758  0.000000       6.175818  
1 1 1 -6  46  32 o 22.597  9.2887  277.365    365.204  0.0000     0.0000   277.365    365.204  ?       ?       22.597  9.2887  0.000000       9.288670  
1 1 1 -6  46  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  47  1  o 94.905  2.5589  4879.18    263.038  4752.85    389.135  4985.47    356.931  93.652  3.8363  95.923  3.4355  -2.270592      5.149772  
1 1 1 -6  47  2  o 391.338 7.2742  83130.46   3083.26  83445.61   4766.60  82903.73   4042.99  391.444 11.243  390.472 9.5596  0.9720764      14.75750  
1 1 1 -6  47  3  o 246.104 4.5631  32830.96   1216.33  31342.53   1720.11  34319.53   1720.19  240.337 6.6079  251.513 6.3146  -11.17645      9.139976  
1 1 1 -6  47  4  o 244.582 4.7738  32429.83   1264.63  32259.38   1675.77  32655.30   1927.43  243.840 6.3451  245.262 7.2557  -1.421722      9.638747  
1 1 1 -6  47  5  o 104.334 2.7504  5897.22    310.804  5808.13    438.121  5987.48    440.979  103.524 3.9074  105.110 3.8735  -1.586838      5.501948  
1 1 1 -6  47  6  o 294.462 5.1212  47018.20   1633.32  46056.51   2309.66  47980.22   2310.08  291.236 7.3220  297.272 7.1747  -6.035828      10.25126  
1 1 1 -6  47  7  o 147.463 3.2010  11782.61   511.257  12259.92   723.302  11306.02   722.752  150.382 4.4407  144.407 4.6209  5.975067       6.408832  
1 1 1 -6  47  8  o 117.829 4.1790  7526.15    533.328  7840.59    754.655  7212.40    753.826  120.211 5.7961  115.125 6.0669  5.085701       8.390594  
1 1 1 -6  47  9  f 84.814  2.8060  3897.41    257.766  3968.46    365.272  3826.93    363.804  85.564  3.9415  84.023  3.9976  1.540741       5.613904  
1 1 1 -6  47  10 o 113.548 2.9308  6986.13    360.445  6888.46    504.668  7087.84    514.981  112.721 4.1336  114.340 4.1584  -1.618965      5.863326  
1 1 1 -6  47  11 o 67.551  4.3875  2484.77    319.269  2566.98    462.873  2410.17    440.954  68.468  6.3128  66.338  6.2093  2.130066       8.854808  
1 1 1 -6  47  12 o 161.145 4.8746  14086.76   850.797  13686.76   1209.19  14478.94   1197.32  158.694 7.0350  163.243 6.7718  -4.549179      9.764625  
1 1 1 -6  47  13 o 204.255 5.5965  22648.28   1238.12  22662.11   1751.57  22634.48   1750.35  204.069 7.9247  203.945 7.9240  0.1243439      11.20669  
1 1 1 -6  47  14 o 231.867 6.1282  29209.24   1539.02  29705.47   2185.38  28721.01   2167.72  233.457 8.6427  229.543 8.7191  3.914093       12.27674  
1 1 1 -6  47  15 o 46.667  5.5209  1199.26    273.649  1484.17    460.702  1043.93    340.158  51.497  8.5603  43.168  7.5503  8.329468       11.41422  
1 1 1 -6  47  16 o 159.563 3.4493  13806.50   596.113  13825.22   850.690  13788.45   835.574  159.561 4.9224  159.356 4.8411  0.2053223      6.904062  
1 1 1 -6  47  17 o 141.296 3.3911  10828.57   518.964  11073.56   741.029  10592.74   727.023  142.776 4.7919  139.641 4.8069  3.135452       6.787403  
1 1 1 -6  47  18 o 94.791  3.0277  4873.56    310.846  5160.33    450.909  4613.85    429.106  97.465  4.2714  92.158  4.2989  5.307014       6.060165  
1 1 1 -6  47  19 o 219.480 4.8037  26220.42   1141.94  25443.90   1977.40  26608.97   1398.77  215.051 8.4895  220.831 5.8481  -5.779648      10.30883  
1 1 1 -6  47  20 o 33.284  4.5468  614.494    159.622  485.801    333.466  652.745    181.803  29.687  9.3155  34.232  5.0556  -4.544662      10.59896  
1 1 1 -6  47  21 o 137.723 3.1736  10309.74   473.400  10189.41   950.184  10349.48   545.988  136.138 6.4440  137.905 3.6554  -1.766998      7.408608  
1 1 1 -6  47  22 o 39.461  4.3020  859.986    180.892  819.901    346.765  874.972    212.026  37.575  8.6932  39.665  5.0498  -2.090271      10.05351  
1 1 1 -6  47  23 o 81.172  4.6431  3620.26    406.513  2830.03    582.311  4371.48    567.757  70.804  7.7183  88.834  5.9350  -18.02975      9.736308  
1 1 1 -6  47  24 o 82.284  4.6719  3728.39    414.656  3819.86    595.237  3642.15    577.968  82.575  6.7135  80.634  6.6780  1.941154       9.469239  
1 1 1 -6  47  25 o 62.115  2.5164  2099.47    169.295  1897.04    510.327  2124.50    179.458  57.122  8.5082  62.467  2.6524  -5.345558      8.912012  
1 1 1 -6  47  26 o 17.459  6.9733  96.127     199.097  -22.3390   423.049  129.831    225.649  21.726  9.4927  18.992  7.4746  2.734568       12.08224  
1 1 1 -6  47  27 o 59.060  3.8697  1927.56    246.170  2424.36    520.333  1784.30    279.418  64.560  7.5859  56.579  4.5995  7.981148       8.871377  
1 1 1 -6  47  28 o 59.331  4.0144  1954.67    256.456  1798.39    531.136  2002.18    292.856  54.059  9.4134  59.842  4.5524  -5.783764      10.45641  
1 1 1 -6  47  29 o 53.335  2.8304  1566.85    162.922  2381.29    540.399  1485.42    170.872  62.318  8.2058  51.855  3.0559  10.46354       8.756337  
1 1 1 -6  47  30 o 28.439  7.4015  512.924    230.189  9.4689     489.221  656.076    260.870  21.842  9.8342  32.103  7.6172  -10.26051      12.43919  
1 1 1 -6  47  31 o 37.454  9.3908  974.546    380.248  0.0000     0.0000   974.546    380.248  ?       ?       37.454  9.3908  0.000000       9.390763  
1 1 1 -6  47  32 o 24.354  9.2154  392.875    333.349  0.0000     0.0000   392.875    333.349  ?       ?       24.354  9.2154  0.000000       9.215357  
1 1 1 -6  47  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  48  1  o 310.849 5.5856  52403.21   1880.56  49585.93   2659.53  55220.37   2659.48  302.136 8.1270  318.890 7.6999  -16.75333      11.19542  
1 1 1 -6  48  2  o 183.525 3.8069  18252.38   756.722  17423.35   1133.31  18919.35   1016.52  179.227 5.8382  186.801 5.0242  -7.574051      7.702374  
1 1 1 -6  48  3  o 227.336 4.2344  28011.88   1042.63  26803.39   1474.56  29220.18   1474.44  222.276 6.1249  232.098 5.8653  -9.821701      8.480317  
1 1 1 -6  48  4  o 95.637  2.6604  4954.94    275.576  5009.47    404.174  4907.56    376.720  96.143  3.8813  95.164  3.6549  0.9790268      5.331317  
1 1 1 -6  48  5  o 378.990 6.9927  77974.86   2870.41  77733.47   3766.38  78309.34   4433.48  378.067 9.1978  379.164 10.796  -1.096893      14.18256  
1 1 1 -6  48  6  o 299.665 5.1865  48699.89   1683.39  48324.45   2380.68  49075.34   2380.67  298.293 7.3686  300.608 7.3119  -2.315186      10.38075  
1 1 1 -6  48  7  o 148.357 3.7262  11928.58   598.751  11392.74   1035.57  12197.67   733.848  144.867 6.5999  149.993 4.5171  -5.126419      7.997727  
1 1 1 -6  48  8  o 261.170 6.0646  37018.04   1715.53  36025.39   1915.06  41050.74   3859.95  257.567 6.8647  273.979 13.008  -16.41135      14.70781  
1 1 1 -6  48  9  o 140.604 3.1686  10712.75   482.541  11071.97   682.968  10354.70   681.864  142.900 4.4126  138.188 4.5557  4.711655       6.342389  
1 1 1 -6  48  10 o 277.457 4.9496  41756.20   1487.42  41827.54   2101.77  41684.62   2105.30  277.474 6.9935  276.996 7.0173  0.4774475      9.907128  
1 1 1 -6  48  11 o 145.594 3.2374  11487.94   510.522  11528.94   718.688  11446.17   725.332  145.803 4.5510  145.275 4.6097  0.5270233      6.477726  
1 1 1 -6  48  12 o 102.960 3.3777  5745.64    376.672  5104.60    645.696  6076.32    463.760  96.755  6.1940  105.862 4.0447  -9.107437      7.397639  
1 1 1 -6  48  13 o 237.712 6.2399  30696.81   1606.56  31269.77   2277.48  30129.32   2266.59  239.556 8.7777  235.126 8.9002  4.429321       12.50046  
1 1 1 -6  48  14 o 221.158 5.9310  26571.58   1420.69  26315.26   2010.70  26827.12   2007.64  219.732 8.4486  221.874 8.3543  -2.142456      11.88161  
1 1 1 -6  48  15 o 121.716 4.3636  8038.12    575.251  7661.25    826.749  8391.81    800.922  118.520 6.4648  124.264 5.9508  -5.743652      8.786684  
1 1 1 -6  48  16 f 67.019  4.4501  2448.76    321.191  2497.18    484.625  2410.82    428.923  67.396  6.7289  66.308  6.0385  1.088058       9.041135  
1 1 1 -6  48  17 o 68.330  3.3136  2532.49    245.238  2648.75    369.418  2440.88    327.916  69.642  4.9294  66.882  4.5538  2.759384       6.710887  
1 1 1 -6  48  18 o 180.381 3.6445  17663.65   712.027  18323.25   1011.51  17015.81   1002.46  183.507 5.0892  176.814 5.2346  6.692383       7.300742  
1 1 1 -6  48  19 f 106.533 3.0292  6159.55    349.529  5966.73    504.812  6337.13    484.434  104.722 4.4506  107.957 4.1430  -3.235016      6.080521  
1 1 1 -6  48  20 o 282.137 5.4852  43505.31   1676.20  46139.05   4511.79  43083.58   1805.42  282.248 14.810  280.544 5.9417  1.704346       15.95779  
1 1 1 -6  48  21 o 66.250  3.1294  2385.80    224.549  1589.56    436.379  2672.57    261.881  53.029  7.8335  70.090  3.4497  -17.06123      8.559446  
1 1 1 -6  48  22 o 144.541 4.6438  11424.90   727.000  11067.71   1026.20  11784.78   1030.08  141.525 6.6947  146.118 6.5087  -4.592590      9.337141  
1 1 1 -6  48  23 o 46.515  2.5107  1179.23    126.023  1154.90    131.839  1436.83    429.011  46.014  2.6567  50.002  8.2063  -3.988552      8.625573  
1 1 1 -6  48  24 o 43.093  4.9406  1034.26    226.431  1244.35    451.622  963.714    261.699  45.904  9.3999  41.298  6.0282  4.605553       11.16679  
1 1 1 -6  48  25 o 44.509  4.6407  1102.10    220.427  1224.58    458.406  1065.26    251.400  45.192  9.6583  43.533  5.4514  1.658947       11.09053  
1 1 1 -6  48  26 o 84.106  3.3795  3871.86    307.857  3828.70    615.576  3886.26    355.509  81.962  7.0014  84.114  3.9022  -2.151932      8.015462  
1 1 1 -6  48  27 o 31.351  1.6672  535.409    56.407   536.615    448.170  535.389    56.859   30.531  10.822  31.349  1.6807  -0.8181076     10.95157  
1 1 1 -6  48  28 f 49.104  4.6237  1354.53    243.010  1184.95    501.710  1406.51    277.768  42.717  10.829  49.801  5.2275  -7.084217      12.02483  
1 1 1 -6  48  29 f 41.427  5.3928  994.196    236.236  1214.16    498.839  930.605    268.219  42.086  10.868  39.502  6.4948  2.584129       12.66074  
1 1 1 -6  48  30 f 33.339  6.6954  684.152    233.368  498.925    498.221  736.213    264.137  27.977  11.076  34.219  7.3463  -6.241919      13.29089  
1 1 1 -6  48  31 o 18.422  8.1207  30.651     315.837  0.0000     0.0000   30.651     315.837  ?       ?       18.422  8.1207  0.000000       8.120746  
1 1 1 -6  48  32 o 31.635  11.251  820.060    484.847  0.0000     0.0000   820.060    484.847  ?       ?       31.635  11.251  0.000000       11.25138  
1 1 1 -6  48  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  49  1  o 370.163 6.3349  74346.27   2539.84  77466.97   3592.98  71229.45   3590.76  377.518 8.7871  361.943 9.1596  15.57516       12.69298  
1 1 1 -6  49  2  o 232.729 4.2977  29357.94   1083.33  29135.60   1532.03  29580.29   1532.09  231.741 6.1037  233.506 6.0578  -1.764908      8.599556  
1 1 1 -6  49  3  o 234.634 4.3313  29841.58   1100.72  28483.81   1556.20  31200.91   1557.10  229.119 6.2710  239.818 5.9947  -10.69893      8.675302  
1 1 1 -6  49  4  o 312.261 5.8807  52897.38   1988.93  52301.16   2618.39  53710.64   3058.06  310.292 7.7910  314.287 8.9836  -3.994873      11.89137  
1 1 1 -6  49  5  o 73.545  2.4099  2930.08    191.964  3050.27    309.177  2854.68    244.884  74.923  3.8227  72.585  3.1149  2.338242       4.931058  
1 1 1 -6  49  6  o 141.992 3.1570  10924.54   485.514  11464.55   687.716  10387.95   685.529  145.422 4.3662  138.419 4.5726  7.003418       6.322378  
1 1 1 -6  49  7  o 112.183 3.3309  6819.73    404.722  7308.88    699.897  6573.99    496.072  116.070 5.5673  110.123 4.1591  5.946815       6.949266  
1 1 1 -6  49  8  f 293.404 5.9551  46719.75   1892.46  44288.36   2316.63  51596.98   3281.08  285.489 7.4920  307.769 9.8429  -22.28003      12.36980  
1 1 1 -6  49  9  o 291.143 5.1321  45980.81   1618.34  46702.33   2289.43  45260.25   2287.92  293.182 7.2098  288.605 7.3192  4.576385       10.27385  
1 1 1 -6  49  10 o 282.461 5.0083  43279.64   1532.21  43259.95   2166.44  43299.36   2167.29  282.161 7.0889  282.290 7.0885  -0.1285400     10.02492  
1 1 1 -6  49  11 o 112.366 2.9687  6842.00    361.299  6529.15    509.763  7157.79    512.153  109.730 4.2892  114.897 4.1155  -5.167084      5.944239  
1 1 1 -6  49  12 o 33.044  4.6601  603.976    162.158  787.354    221.458  392.009    238.096  37.678  5.5968  26.610  7.7739  11.06807       9.578977  
1 1 1 -6  49  13 o 63.976  3.1352  2218.34    217.246  2232.28    302.246  2203.44    312.473  64.002  4.3866  63.568  4.5689  0.4337425      6.333790  
1 1 1 -6  49  14 o 109.642 4.2510  6521.06    504.815  7010.35    718.438  6043.90    709.477  113.444 5.8671  105.268 6.2506  8.176086       8.572823  
1 1 1 -6  49  15 o 262.659 6.7657  37542.32   1924.75  37117.38   2726.47  37964.49   2717.57  260.516 9.6626  263.509 9.5217  -2.993317      13.56574  
1 1 1 -6  49  16 o 180.227 5.2163  17650.39   1018.25  17057.34   1448.86  18229.16   1431.33  176.844 7.5643  182.874 7.2263  -6.030258      10.46126  
1 1 1 -6  49  17 o 143.166 4.6601  11137.15   722.616  10513.29   1036.12  11727.97   1008.32  138.823 6.8909  146.705 6.3457  -7.881699      9.367651  
1 1 1 -6  49  18 o 199.641 5.5772  21717.97   1205.97  21793.68   1726.41  21645.81   1685.33  199.342 7.9960  198.716 7.8304  0.6262054      11.19156  
1 1 1 -6  49  19 o 175.486 3.6337  16733.45   690.650  16362.64   985.266  17091.67   968.405  173.214 5.2517  177.077 5.0492  -3.863495      7.285268  
1 1 1 -6  49  20 o 47.186  1.9457  1207.28    99.439   1110.53    401.614  1213.60    102.635  44.009  8.7337  47.308  2.0031  -3.298649      8.960505  
1 1 1 -6  49  21 o 47.146  4.0349  1220.28    204.050  1142.86    409.908  1245.79    235.271  44.529  8.8112  47.539  4.6279  -3.010731      9.952599  
1 1 1 -6  49  22 o 50.146  5.4764  1396.78    292.604  1522.22    448.273  1303.66    386.233  51.596  8.3032  47.840  7.7165  3.755833       11.33525  
1 1 1 -6  49  23 o 33.948  2.1609  628.306    79.040   1023.84    417.322  613.590    80.497   41.659  9.4642  33.539  2.2286  8.119778       9.723099  
1 1 1 -6  49  24 o 80.767  2.8535  3552.00    249.624  4613.51    586.263  3316.94    275.882  91.034  5.9792  77.984  3.2663  13.05009       6.813148  
1 1 1 -6  49  25 o 15.505  6.5827  14.265     192.421  190.800    408.780  -35.9856   218.095  24.462  9.9133  15.541  6.8023  8.921318       12.02272  
1 1 1 -6  49  26 o 43.323  4.8355  1051.46    223.031  1073.07    467.282  1045.09    253.806  41.618  10.397  42.956  5.5875  -1.338058      11.80297  
1 1 1 -6  49  27 o 39.388  2.0006  846.107    85.070   848.198    90.458   830.101    250.243  39.419  2.1266  37.868  6.3243  1.550858       6.672220  
1 1 1 -6  49  28 o 38.851  5.4633  866.569    223.543  811.322    479.825  881.884    252.635  35.248  11.189  38.894  6.2057  -3.646275      12.79444  
1 1 1 -6  49  29 o 37.447  6.2543  836.200    244.724  459.462    488.448  962.465    282.776  27.958  10.999  39.927  6.7815  -11.96875      12.92167  
1 1 1 -6  49  30 o 14.149  6.4515  -91.5206   218.740  -80.4886   462.918  -94.6919   248.197  20.439  9.3449  15.083  6.8754  5.355254       11.60163  
1 1 1 -6  49  31 f 17.446  7.8749  -42.0932   316.017  0.0000     0.0000   -42.0932   316.017  ?       ?       17.446  7.8749  0.000000       7.874884  
1 1 1 -6  49  32 o 29.519  11.042  697.927    475.650  0.0000     0.0000   697.927    475.650  ?       ?       29.519  11.042  0.000000       11.04202  
1 1 1 -6  49  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  50  1  o 418.254 7.0412  94973.36   3189.76  92567.88   4511.59  97377.59   4510.42  412.382 10.101  423.013 9.8445  -10.63181      14.10467  
1 1 1 -6  50  2  f 230.121 4.5191  28707.91   1126.36  29146.92   1496.02  28133.36   1711.46  231.785 5.9591  227.646 6.9412  4.138763       9.148325  
1 1 1 -6  50  3  o 273.209 5.2291  40480.35   1547.36  39715.59   2042.89  41509.58   2369.94  270.467 6.9736  276.408 7.9162  -5.941040      10.54979  
1 1 1 -6  50  4  o 69.506  2.4084  2617.07    181.311  2881.69    294.483  2455.52    230.095  72.823  3.7462  67.319  3.1557  5.504021       4.898269  
1 1 1 -6  50  5  o 184.950 3.7055  18538.53   742.285  18752.08   1050.11  18325.26   1049.40  185.943 5.2141  183.812 5.2710  2.131332       7.414227  
1 1 1 -6  50  6  f 153.391 3.2971  12749.83   547.769  13016.60   774.657  12483.05   774.667  154.941 4.6161  151.729 4.7139  3.212677       6.597626  
1 1 1 -6  50  7  o 183.604 4.2227  18275.38   839.745  19458.09   1454.94  17684.59   1028.31  189.269 7.0974  180.559 5.2582  8.709732       8.832926  
1 1 1 -6  50  8  o 89.155  3.2423  4307.34    313.088  4493.06    385.645  3948.24    536.240  91.043  3.9109  85.095  5.8538  5.948227       7.040001  
1 1 1 -6  50  9  f 204.924 3.9419  22764.65   874.924  22853.86   1237.66  22675.54   1236.99  205.222 5.5681  204.419 5.5870  0.8035889      7.887856  
1 1 1 -6  50  10 o 71.644  2.8719  2781.26    222.852  2616.06    311.120  2955.33    319.362  69.338  4.1620  73.723  4.0147  -4.385086      5.782736  
1 1 1 -6  50  11 f 94.084  2.7241  4796.32    277.598  4792.58    408.503  4799.53    378.390  94.018  4.0115  94.094  3.7128  -0.7594299E-01 5.466053  
1 1 1 -6  50  12 o 285.133 5.0909  44118.31   1572.21  43908.91   2221.94  44328.28   2224.94  284.164 7.2193  285.522 7.1946  -1.357758      10.19220  
1 1 1 -6  50  13 o 60.530  3.2326  1991.67    211.166  2084.08    293.412  1892.38    304.145  61.826  4.4106  58.858  4.8130  2.968102       6.528281  
1 1 1 -6  50  14 o 135.742 3.2268  9988.51    474.412  9890.76    673.332  10084.88   668.535  135.006 4.6047  136.329 4.5276  -1.323059      6.457741  
1 1 1 -6  50  15 o 167.942 3.5647  15295.95   648.407  15797.52   919.618  14800.08   914.375  170.558 4.9781  165.073 5.1142  5.484848       7.137013  
1 1 1 -6  50  16 o 211.010 5.8184  24221.94   1329.78  23422.49   1895.77  24996.29   1865.77  206.981 8.4564  213.916 8.0528  -6.935089      11.67721  
1 1 1 -6  50  17 o 198.167 5.4753  21373.27   1175.19  22343.11   1672.19  20426.79   1651.93  202.138 7.6378  193.212 7.8938  8.926239       10.98400  
1 1 1 -6  50  18 o 60.523  4.6509  2004.48    302.543  1582.21    468.589  2306.35    396.186  53.023  8.4426  64.788  5.7041  -11.76543      10.18888  
1 1 1 -6  50  19 o 294.022 7.4468  47532.98   2371.49  49324.22   3366.55  45768.63   3341.18  297.345 10.453  286.161 10.780  11.18329       15.01602  
1 1 1 -6  50  20 o 107.686 4.2746  6319.93    498.564  0.0000     0.0000   6319.93    498.564  ?       ?       107.686 4.2746  0.000000       4.274564  
1 1 1 -6  50  21 o 122.164 4.4163  8148.08    584.346  7759.55    826.648  8536.12    826.131  118.503 6.4649  124.576 6.1227  -6.072693      8.904098  
1 1 1 -6  50  22 o 77.834  4.7031  3328.39    394.624  3171.46    587.157  3457.67    532.938  75.217  7.2992  78.901  6.2885  -3.684555      9.634456  
1 1 1 -6  50  23 o 15.720  6.7225  0.1479     203.328  -264.4412  431.589  75.625     230.511  19.603  8.9849  18.145  7.4098  1.457949       11.64620  
1 1 1 -6  50  24 o 28.949  1.7754  456.553    55.397   452.288    57.005   528.985    234.907  28.807  1.8366  30.120  7.2811  -1.313185      7.509123  
1 1 1 -6  50  25 o 36.759  5.5355  766.030    213.554  570.858    440.260  826.080    244.207  31.571  10.753  38.018  6.1398  -6.447029      12.38214  
1 1 1 -6  50  26 o 79.275  2.7832  3429.97    238.979  3417.54    594.617  3432.36    260.984  77.171  7.1970  79.244  3.0407  -2.072678      7.813015  
1 1 1 -6  50  27 o 33.114  6.2021  637.876    214.270  765.253    448.890  600.290    243.843  34.921  10.784  31.766  7.2475  3.154772       12.99295  
1 1 1 -6  50  28 o 4.4052  2.1960  -109.2561  42.073   -129.3816  42.697   564.113    246.973  4.1899  2.1063  30.425  7.5342  -26.23535      7.823069  
1 1 1 -6  50  29 o 28.771  2.2468  455.804    69.459   433.489    71.943   762.317    266.631  28.021  2.3934  35.089  7.2553  -7.067221      7.639919  
1 1 1 -6  50  30 f 24.525  1.5426  328.931    40.768   330.935    41.071   194.831    335.922  24.599  1.5495  21.497  8.8803  3.101711       9.014425  
1 1 1 -6  50  31 o 16.974  7.7801  -93.8842   323.625  0.0000     0.0000   -93.8842   323.625  ?       ?       16.974  7.7801  0.000000       7.780104  
1 1 1 -6  50  32 o 20.037  9.1448  6.0281     440.805  0.0000     0.0000   6.0281     440.805  ?       ?       20.037  9.1448  0.000000       9.144822  
1 1 1 -6  51  1  o 299.574 5.6688  48684.16   1839.34  48467.09   2826.10  48843.69   2422.69  298.556 8.7396  299.878 7.4590  -1.321930      11.48990  
1 1 1 -6  51  2  o 220.227 4.1835  26289.74   997.877  24881.84   1411.58  27696.19   1410.84  214.137 6.0861  225.946 5.7651  -11.80894      8.383134  
1 1 1 -6  51  3  o 270.022 4.8747  39536.14   1425.66  38064.19   2016.44  41007.37   2015.94  264.764 7.0316  274.836 6.7723  -10.07190      9.762547  
1 1 1 -6  51  4  o 125.896 3.0217  8587.75    412.034  8716.59    574.592  8451.38    591.168  126.807 4.1836  124.858 4.3715  1.949570       6.050765  
1 1 1 -6  51  5  o 285.734 5.0374  44277.89   1558.97  43748.05   2204.32  44808.11   2205.12  283.811 7.1709  287.238 7.0880  -3.427521      10.08272  
1 1 1 -6  51  6  o 293.660 5.2124  46776.26   1657.89  44634.47   2344.77  48917.49   2344.46  286.606 7.5534  300.087 7.2132  -13.48041      10.44433  
1 1 1 -6  51  7  o 45.489  4.5523  1133.20    221.277  1028.89    308.399  1243.89    317.674  42.998  6.8521  47.451  6.3397  -4.452606      9.335039  
1 1 1 -6  51  8  o 115.759 2.9492  7260.87    369.772  6915.28    523.455  7605.09    522.421  112.936 4.2793  118.441 4.0724  -5.505379      5.907354  
1 1 1 -6  51  9  o 166.160 3.4641  14963.68   623.430  14755.55   882.134  15171.37   881.193  164.932 4.9381  167.244 4.8646  -2.311813      6.931768  
1 1 1 -6  51  10 o 301.607 5.7294  49376.40   1871.63  50336.59   2465.65  48070.87   2875.04  304.279 7.4815  297.106 8.9344  7.173859       11.65312  
1 1 1 -6  51  11 o 222.471 4.1651  26838.05   1003.61  26522.16   1418.30  27154.85   1420.35  221.011 5.9250  223.637 5.8638  -2.626572      8.336034  
1 1 1 -6  51  12 o 361.493 6.2201  70993.32   2435.38  72242.80   3443.94  69743.55   3444.34  364.101 8.7330  357.707 8.8901  6.393860       12.46193  
1 1 1 -6  51  13 f 55.593  2.2833  1674.47    137.481  1725.14    295.088  1660.43    155.374  56.167  4.8997  55.355  2.5915  0.8121300      5.542812  
1 1 1 -6  51  14 o 134.045 3.1790  9740.57    461.543  9455.86    650.745  10028.77   654.715  132.000 4.5516  135.947 4.4465  -3.946533      6.363032  
1 1 1 -6  51  15 o 90.101  3.0193  4401.19    294.649  4379.26    414.530  4423.59    418.898  89.828  4.2606  90.281  4.2839  -0.4524536     6.041932  
1 1 1 -6  51  16 o 80.458  3.0140  3510.30    262.656  3403.30    375.060  3613.27    367.944  79.042  4.3984  81.473  4.1837  -2.431328      6.070378  
1 1 1 -6  51  17 o 119.904 3.6300  7804.52    471.426  7375.19    857.359  7990.57    564.408  116.006 6.8540  121.266 4.2972  -5.260162      8.089689  
1 1 1 -6  51  18 o 178.975 5.1088  17451.28   990.340  18986.32   1433.72  16050.49   1369.59  186.161 7.1106  171.085 7.3911  15.07610       10.25616  
1 1 1 -6  51  19 o 187.515 5.4110  19206.40   1098.96  20374.59   1599.71  18162.37   1512.31  192.300 7.6805  181.557 7.6906  10.74373       10.86902  
1 1 1 -6  51  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  51  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  51  22 o 35.678  6.7655  727.500    251.871  0.0000     0.0000   727.500    251.871  ?       ?       35.678  6.7655  0.000000       6.765540  
1 1 1 -6  51  23 o 54.910  4.0822  1658.21    241.048  1149.27    505.044  1808.35    274.308  43.742  10.739  57.274  4.4570  -13.53165      11.62726  
1 1 1 -6  51  24 o 24.048  7.6906  322.489    226.372  980.212    450.422  100.217    261.843  40.273  10.289  19.485  7.9204  20.78777       12.98417  
1 1 1 -6  51  25 o 94.883  3.3557  4923.24    344.853  4799.24    697.151  4963.42    396.800  91.932  7.0553  95.123  3.8514  -3.190773      8.038065  
1 1 1 -6  51  26 o 16.908  7.0067  57.029     210.083  164.913    469.315  29.994     234.936  24.991  10.424  17.192  7.2849  7.799475       12.71729  
1 1 1 -6  51  27 o 42.040  5.0218  999.036    224.136  1140.23    465.461  956.414    255.739  42.517  10.231  40.778  5.9668  1.738949       11.84421  
1 1 1 -6  51  28 o 35.116  6.0542  724.324    221.951  559.052    463.512  773.494    252.821  30.102  10.963  36.005  6.7305  -5.902782      12.86419  
1 1 1 -6  51  29 o 6.2691  2.6914  -1.6629    32.819   -5.9397    33.095   251.742    254.746  6.1019  2.6609  21.551  8.0771  -15.44936      8.504106  
1 1 1 -6  51  30 o 46.796  5.8649  1304.11    290.731  0.0000     0.0000   1304.11    290.731  ?       ?       46.796  5.8649  0.000000       5.864885  
1 1 1 -6  51  31 o 25.834  9.4743  452.481    347.038  0.0000     0.0000   452.481    347.038  ?       ?       25.834  9.4743  0.000000       9.474299  
1 1 1 -6  51  32 o 22.675  10.417  99.956     584.769  0.0000     0.0000   99.956     584.769  ?       ?       22.675  10.417  0.000000       10.41710  
1 1 1 -6  52  1  o 201.397 3.8307  21983.36   835.599  22068.49   1182.15  21898.36   1181.28  201.706 5.4111  200.926 5.4281  0.7799988      7.664471  
1 1 1 -6  52  2  o 362.266 6.2309  71223.38   2444.82  68173.93   3457.61  74272.45   3457.39  354.013 9.0175  369.576 8.6372  -15.56311      12.48669  
1 1 1 -6  52  3  o 318.280 5.5814  54955.52   1924.09  55178.97   2721.74  54732.29   2720.41  318.651 7.8861  317.355 7.9144  1.296295       11.17265  
1 1 1 -6  52  4  o 237.995 4.6993  30713.02   1211.35  30134.76   1606.17  31475.79   1844.72  235.626 6.2936  240.740 7.0748  -5.114075      9.468970  
1 1 1 -6  52  5  o 118.984 2.8867  7670.58    372.010  7483.48    526.255  7857.46    525.948  117.493 4.1354  120.396 4.0333  -2.903046      5.776551  
1 1 1 -6  52  6  o 186.595 4.2336  18876.04   855.619  19003.16   1480.34  18812.27   1048.50  187.022 7.3080  186.229 5.1982  0.7937469      8.968134  
1 1 1 -6  52  7  o 207.849 4.5982  23426.73   1035.17  24453.34   1267.22  21367.71   1794.66  212.294 5.5112  198.204 8.3599  14.08981       10.01302  
1 1 1 -6  52  8  o 194.652 3.7958  20538.28   800.258  19761.83   1130.07  21319.31   1133.41  190.840 5.4672  198.231 5.2789  -7.390778      7.599822  
1 1 1 -6  52  9  o 400.255 6.8239  87034.63   2958.29  87982.06   4183.56  86087.11   4183.74  401.801 9.6131  397.423 9.7194  4.378265       13.67041  
1 1 1 -6  52  10 o 258.656 4.6629  36288.29   1306.32  36194.89   1846.34  36381.90   1848.49  258.120 6.6042  258.787 6.5948  -0.6671143     9.333108  
1 1 1 -6  52  11 o 196.582 3.8394  20952.13   817.487  20969.29   1153.04  20934.79   1159.19  196.551 5.4162  196.387 5.4497  0.1645813      7.683414  
1 1 1 -6  52  12 o 104.797 2.9835  5952.12    338.651  5433.52    477.012  6479.12    480.860  100.082 4.4005  109.302 4.0618  -9.219757      5.988535  
1 1 1 -6  52  13 o 220.707 4.1778  26422.92   998.708  26499.02   1410.70  26346.46   1414.08  220.846 5.8976  220.206 5.9289  0.6404266      8.362624  
1 1 1 -6  52  14 o 98.856  3.0115  5297.52    322.447  5656.75    459.989  4950.46    452.130  102.107 4.1593  95.511  4.3706  6.596222       6.033393  
1 1 1 -6  52  15 o 159.075 3.5340  13725.57   608.884  13992.13   831.325  13417.10   894.304  160.506 4.7820  157.126 5.2549  3.379959       7.105036  
1 1 1 -6  52  16 o 118.749 3.0557  7647.72    393.021  7919.23    557.040  7378.60    554.599  120.756 4.2590  116.551 4.3933  4.205269       6.118840  
1 1 1 -6  52  17 o 73.909  3.0907  2963.88    247.415  2791.98    358.889  3119.56    341.550  71.498  4.6599  75.652  4.1846  -4.153458      6.263014  
1 1 1 -6  52  18 o 195.525 3.8879  20781.82   823.364  21499.90   1176.94  20093.52   1152.28  198.507 5.4740  191.886 5.5443  6.620743       7.791276  
1 1 1 -6  52  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  52  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  52  21 o 69.841  4.4825  2676.06    337.285  0.0000     0.0000   2676.06    337.285  ?       ?       69.841  4.4825  0.000000       4.482452  
1 1 1 -6  52  22 o 17.260  7.3426  11.139     240.282  0.0000     0.0000   11.139     240.282  ?       ?       17.260  7.3426  0.000000       7.342591  
1 1 1 -6  52  23 o 40.602  6.7839  941.089    287.800  0.0000     0.0000   941.089    287.800  ?       ?       40.602  6.7839  0.000000       6.783868  
1 1 1 -6  52  24 o 59.627  5.2270  1979.12    334.167  0.0000     0.0000   1979.12    334.167  ?       ?       59.627  5.2270  0.000000       5.227012  
1 1 1 -6  52  25 o 95.716  3.3766  5012.17    350.057  4738.29    705.521  5101.61    403.186  91.198  7.2011  96.416  3.8609  -5.218094      8.170835  
1 1 1 -6  52  26 o 19.085  7.4075  144.646    219.132  -258.5991  466.071  259.085    248.287  20.149  9.2726  22.445  8.0442  -2.295996      12.27564  
1 1 1 -6  52  27 o 24.792  7.8779  359.323    237.827  813.126    496.925  224.493    270.863  35.572  11.396  21.883  8.3006  13.68821       14.09884  
1 1 1 -6  52  28 o 67.710  3.7688  2552.04    275.298  2843.55    609.202  2477.23    308.607  67.995  8.4546  66.431  4.3124  1.564156       9.490935  
1 1 1 -6  52  29 o 42.482  5.4000  1055.26    242.851  971.946    488.054  1082.68    279.972  36.535  11.238  42.517  6.2677  -5.981621      12.86779  
1 1 1 -6  52  30 o 19.244  1.9019  204.371    39.123   0.0000     0.0000   204.371    39.123   ?       ?       19.244  1.9019  0.000000       1.901906  
1 1 1 -6  52  31 o 26.362  9.8489  481.824    378.178  0.0000     0.0000   481.824    378.178  ?       ?       26.362  9.8489  0.000000       9.848865  
1 1 1 -6  52  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  53  1  o 252.346 4.6156  34526.96   1261.53  33781.56   1784.75  35271.22   1783.39  249.449 6.6058  254.903 6.4595  -5.454453      9.239149  
1 1 1 -6  53  2  f 212.544 4.1252  24488.45   949.653  23468.06   1342.94  25509.07   1343.08  207.958 5.9623  216.830 5.7189  -8.872162      8.261615  
1 1 1 -6  53  3  o 381.388 7.0755  79001.14   2922.78  79010.25   4515.53  78994.56   3834.37  380.641 10.953  380.972 9.2925  -0.3312988     14.36358  
1 1 1 -6  53  4  o 64.488  2.7305  2253.13    190.717  2003.79    261.919  2534.53    278.249  60.667  4.0086  68.279  3.7772  -7.611225      5.507858  
1 1 1 -6  53  5  o 189.897 3.7228  19545.10   765.704  19929.40   1084.48  19163.07   1081.27  191.677 5.2237  187.950 5.3115  3.726593       7.449817  
1 1 1 -6  53  6  o 253.160 5.3021  34768.55   1453.83  35329.79   2518.31  34487.99   1780.51  254.760 9.1266  252.024 6.5228  2.736343       11.21787  
1 1 1 -6  53  7  o 304.546 6.1734  50351.16   2036.33  50254.28   2493.02  50545.35   3529.76  304.065 7.5699  304.385 10.707  -0.3200073     13.11236  
1 1 1 -6  53  8  o 106.575 2.8678  6154.41    331.029  5879.55    465.884  6434.68    470.440  104.137 4.1305  108.946 3.9868  -4.809555      5.740681  
1 1 1 -6  53  9  o 227.472 4.1969  28056.24   1034.01  29001.02   1461.91  27110.45   1462.70  231.137 5.8396  223.458 6.0435  7.679718       8.403849  
1 1 1 -6  53  10 o 286.554 5.1057  44555.38   1584.63  44365.56   2241.02  44745.19   2241.00  285.661 7.2431  286.885 7.2121  -1.224365      10.22140  
1 1 1 -6  53  11 o 141.982 3.1997  10926.26   492.055  11071.57   697.065  10781.94   694.684  142.865 4.5048  140.982 4.5494  1.883347       6.402381  
1 1 1 -6  53  12 o 181.093 3.6514  17781.16   716.204  17792.38   1009.31  17769.79   1016.46  181.045 5.1472  180.926 5.1870  0.1182556      7.307425  
1 1 1 -6  53  13 o 84.271  3.0427  3849.45    277.721  4004.11    391.833  3693.32    393.689  85.911  4.2109  82.384  4.4283  3.527550       6.110797  
1 1 1 -6  53  14 o 118.765 3.0147  7646.65    387.798  7945.32    554.211  7360.13    542.826  121.002 4.2288  116.456 4.3036  4.545486       6.033495  
1 1 1 -6  53  15 o 204.537 3.9794  22705.16   881.579  22340.08   1246.12  23070.96   1247.36  202.659 5.6771  205.961 5.5916  -3.301956      7.968380  
1 1 1 -6  53  16 o 152.221 3.3839  12572.88   557.906  12694.93   793.326  12453.47   784.742  152.809 4.7933  151.350 4.7871  1.459473       6.774372  
1 1 1 -6  53  17 o 112.781 3.1173  6902.60    380.792  6967.55    552.170  6843.69    525.837  113.183 4.5042  112.191 4.3273  0.9918900      6.246118  
1 1 1 -6  53  18 o 104.966 3.9733  5992.34    451.720  6940.06    680.629  5246.27    603.892  112.729 5.5745  97.827  5.7243  14.90177       7.990180  
1 1 1 -6  53  19 o 81.735  4.4025  3651.94    388.303  3887.52    551.544  3420.41    546.775  83.986  6.1050  78.663  6.4750  5.322433       8.899230  
1 1 1 -6  53  20 o 65.948  4.6908  2387.79    332.874  2359.32    471.895  2415.99    469.623  65.070  6.7960  65.887  6.6729  -0.8168182     9.524293  
1 1 1 -6  53  21 o 89.369  4.3891  4364.51    424.842  0.0000     0.0000   4364.51    424.842  ?       ?       89.369  4.3891  0.000000       4.389053  
1 1 1 -6  53  22 o 53.275  5.3590  1576.66    305.031  0.0000     0.0000   1576.66    305.031  ?       ?       53.275  5.3590  0.000000       5.359031  
1 1 1 -6  53  23 f 117.470 4.4904  7571.55    571.323  0.0000     0.0000   7571.55    571.323  ?       ?       117.470 4.4904  0.000000       4.490389  
1 1 1 -6  53  24 o 60.212  5.1979  2019.06    335.664  0.0000     0.0000   2019.06    335.664  ?       ?       60.212  5.1979  0.000000       5.197900  
1 1 1 -6  53  25 o 37.947  7.3720  843.447    292.069  0.0000     0.0000   843.447    292.069  ?       ?       37.947  7.3720  0.000000       7.371951  
1 1 1 -6  53  26 o 25.546  8.7210  364.510    289.612  0.0000     0.0000   364.510    289.612  ?       ?       25.546  8.7210  0.000000       8.720979  
1 1 1 -6  53  27 o 52.110  4.6136  1523.36    257.705  1635.89    546.408  1491.17    292.250  50.839  10.277  51.254  5.3430  -0.4151688     11.58253  
1 1 1 -6  53  28 o 46.130  2.4004  1167.96    119.517  1320.45    545.544  1160.27    122.493  43.488  11.431  45.959  2.4698  -2.470863      11.69524  
1 1 1 -6  53  29 o 39.026  6.7134  927.992    273.538  707.719    543.578  1002.69    316.536  31.459  11.797  40.015  7.5811  -8.555237      14.02296  
1 1 1 -6  53  30 o 35.044  8.4475  815.360    316.883  0.0000     0.0000   815.360    316.883  ?       ?       35.044  8.4475  0.000000       8.447511  
1 1 1 -6  53  31 o 19.119  8.4005  67.767     335.422  0.0000     0.0000   67.767     335.422  ?       ?       19.119  8.4005  0.000000       8.400460  
1 1 1 -6  53  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  54  1  o 132.000 3.1069  9441.28    444.187  9463.07    630.913  9419.86    625.473  132.114 4.4091  131.813 4.3811  0.3010101      6.215624  
1 1 1 -6  54  2  o 172.128 3.5143  16056.82   655.176  15746.32   926.494  16367.40   926.623  170.391 5.0202  173.724 4.9246  -3.332703      7.032410  
1 1 1 -6  54  3  o 187.641 3.8845  19084.80   789.464  19705.89   1186.39  18591.22   1057.62  190.568 5.7479  185.129 5.2745  5.439468       7.801187  
1 1 1 -6  54  4  o 178.492 3.6103  17267.26   697.972  17270.00   987.347  17264.52   986.815  178.436 5.1088  178.408 5.1068  0.2824402E-01  7.223526  
1 1 1 -6  54  5  o 298.854 5.2943  48452.00   1713.73  48888.19   2424.49  48016.46   2422.66  299.940 7.4630  297.245 7.5250  2.694672       10.59825  
1 1 1 -6  54  6  o 144.133 4.8453  11267.30   756.409  11095.06   995.708  11502.34   1163.15  142.946 6.4312  145.295 7.4159  -2.349442      9.816081  
1 1 1 -6  54  7  o 287.424 5.1088  44816.17   1590.42  42938.02   2249.40  46693.63   2248.99  281.073 7.3889  293.150 7.0832  -12.07718      10.23555  
1 1 1 -6  54  8  o 221.924 4.1789  26703.60   1004.48  27651.52   1421.25  25757.56   1419.84  225.703 5.8138  217.818 6.0183  7.884735       8.367854  
1 1 1 -6  54  9  o 283.195 5.0412  43512.47   1546.28  44356.48   2187.57  42669.70   2185.96  285.673 7.0700  280.169 7.2036  5.503784       10.09345  
1 1 1 -6  54  10 o 127.804 3.1569  8852.50    436.996  8236.59    609.244  9505.16    627.157  123.225 4.5648  132.384 4.3739  -9.158485      6.322078  
1 1 1 -6  54  11 o 163.231 3.4460  14443.93   609.231  14896.78   862.686  13993.39   860.484  165.690 4.8071  160.578 4.9475  5.111938       6.898285  
1 1 1 -6  54  12 o 135.390 3.1918  9936.19    468.052  9726.85    660.559  10147.27   663.302  133.891 4.5550  136.758 4.4780  -2.867325      6.387579  
1 1 1 -6  54  13 o 237.225 4.4121  30539.18   1133.65  29962.27   1600.95  31119.37   1605.50  234.723 6.2973  239.228 6.1962  -4.505341      8.834533  
1 1 1 -6  54  14 o 195.541 3.8531  20744.78   816.054  19789.67   1151.96  21706.92   1156.20  190.797 5.5744  199.857 5.3412  -9.059830      7.720277  
1 1 1 -6  54  15 o 85.811  2.7201  3992.07    252.811  3894.86    393.359  4060.49    329.990  84.580  4.3081  86.511  3.5218  -1.930237      5.564435  
1 1 1 -6  54  16 o 154.579 3.4223  12968.35   572.978  12931.25   812.837  13005.00   807.814  154.186 4.8673  154.631 4.8233  -0.4451599     6.852349  
1 1 1 -6  54  17 o 141.127 3.3731  10814.41   515.601  10638.41   714.520  11005.62   744.758  139.798 4.7189  142.172 4.8365  -2.373840      6.757215  
1 1 1 -6  54  18 o 17.088  7.1106  37.500     217.652  -43.2015   289.058  143.159    330.749  18.143  7.8882  22.442  8.9791  -4.299059      11.95193  
1 1 1 -6  54  19 o 87.914  4.2778  4212.75    407.332  4014.58    572.434  4416.02    579.744  85.293  6.2398  89.534  6.0132  -4.241417      8.665619  
1 1 1 -6  54  20 o 121.870 3.6134  8086.88    476.966  8477.99    828.433  7892.94    583.352  124.145 6.1611  120.226 4.4798  3.919640       7.617608  
1 1 1 -6  54  21 o 34.720  1.9619  656.134    73.476   758.663    381.297  652.180    74.880   35.982  9.6043  34.611  2.0061  1.371902       9.811606  
1 1 1 -6  54  22 o 114.008 3.1952  7080.42    394.546  6816.66    805.487  7163.68    452.554  110.555 6.7593  114.575 3.6468  -4.019608      7.680306  
1 1 1 -6  54  23 f 33.187  7.8840  645.221    279.194  0.0000     0.0000   645.221    279.194  ?       ?       33.187  7.8840  0.000000       7.883997  
1 1 1 -6  54  24 o 20.552  8.0955  152.474    264.912  0.0000     0.0000   152.474    264.912  ?       ?       20.552  8.0955  0.000000       8.095528  
1 1 1 -6  54  25 o 25.310  8.5155  356.943    276.086  0.0000     0.0000   356.943    276.086  ?       ?       25.310  8.5155  0.000000       8.515495  
1 1 1 -6  54  26 o 54.156  5.7296  1662.11    330.974  0.0000     0.0000   1662.11    330.974  ?       ?       54.156  5.7296  0.000000       5.729596  
1 1 1 -6  54  27 o 31.580  8.6345  618.330    303.815  0.0000     0.0000   618.330    303.815  ?       ?       31.580  8.6345  0.000000       8.634463  
1 1 1 -6  54  28 o 25.861  8.9034  411.998    302.017  0.0000     0.0000   411.998    302.017  ?       ?       25.861  8.9034  0.000000       8.903362  
1 1 1 -6  54  29 o 32.889  8.2867  702.827    295.065  0.0000     0.0000   702.827    295.065  ?       ?       32.889  8.2867  0.000000       8.286700  
1 1 1 -6  54  30 o 19.558  8.4671  86.947     330.182  0.0000     0.0000   86.947     330.182  ?       ?       19.558  8.4671  0.000000       8.467054  
1 1 1 -6  54  31 o 22.055  9.0128  259.139    341.333  0.0000     0.0000   259.139    341.333  ?       ?       22.055  9.0128  0.000000       9.012814  
1 1 1 -6  54  32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  55  1  o 193.845 4.0057  20369.04   841.008  20522.77   1268.87  20248.59   1123.15  194.457 6.0245  193.197 5.3674  1.259796       8.068727  
1 1 1 -6  55  2  o 82.867  2.2768  3719.93    204.351  3431.90    290.374  4002.56    287.637  79.579  3.3689  85.946  3.0899  -6.366722      4.571361  
1 1 1 -6  55  3  o 211.046 3.9958  24144.64   913.385  23597.66   1290.39  24693.89   1293.06  208.536 5.7131  213.333 5.5962  -4.797409      7.997249  
1 1 1 -6  55  4  o 138.068 3.1035  10329.61   464.097  10154.86   653.019  10507.95   659.697  136.853 4.4056  139.213 4.3752  -2.360046      6.208950  
1 1 1 -6  55  5  f 140.191 3.5790  10652.04   543.434  10836.31   940.412  10559.65   665.867  141.286 6.1454  139.552 4.4054  1.733612       7.561295  
1 1 1 -6  55  6  o 189.416 4.6496  19457.60   953.903  19392.90   1084.66  19678.47   2004.03  189.061 5.2969  189.780 9.7828  -0.7193298     11.12475  
1 1 1 -6  55  7  o 387.420 6.5558  81520.04   2750.90  84663.19   3891.09  78379.26   3889.62  394.286 9.1115  379.287 9.4683  14.99908       13.14029  
1 1 1 -6  55  8  o 271.556 4.8672  40003.14   1431.56  38828.02   2023.63  41180.36   2025.43  267.299 6.9898  275.303 6.7926  -8.004486      9.746619  
1 1 1 -6  55  9  f 266.166 4.8120  38433.45   1387.23  38297.77   1961.52  38569.22   1962.16  265.460 6.8222  266.402 6.8003  -0.9421387     9.632557  
1 1 1 -6  55  10 o 281.605 5.0220  43035.16   1531.76  42912.13   2165.41  43158.38   2167.06  280.908 7.1171  281.716 7.1021  -0.8072815     10.05454  
1 1 1 -6  55  11 o 140.665 3.1979  10725.22   487.223  10763.69   687.105  10686.30   690.985  140.855 4.5038  140.345 4.5457  0.5096436      6.399038  
1 1 1 -6  55  12 o 116.125 3.0352  7309.50    381.760  7257.48    533.682  7364.01    546.318  115.660 4.2602  116.503 4.3295  -0.8423615     6.074045  
1 1 1 -6  55  13 o 148.938 3.3472  12028.19   539.956  11399.20   766.037  12649.27   761.213  144.889 4.8814  152.650 4.6041  -7.760422      6.710088  
1 1 1 -6  55  14 o 151.124 3.3335  12386.43   545.637  11787.44   768.271  12996.06   775.067  147.307 4.8153  154.693 4.6259  -7.386078      6.677297  
1 1 1 -6  55  15 o 122.827 3.1549  8183.24    419.714  8078.99    596.840  8285.22    590.344  121.938 4.5190  123.494 4.4135  -1.555931      6.316735  
1 1 1 -6  55  16 o 116.937 3.1785  7420.44    402.573  7240.63    579.166  7588.52    559.968  115.379 4.6345  118.146 4.3760  -2.766937      6.373990  
1 1 1 -6  55  17 f 78.676  4.2853  3377.57    363.794  3412.36    504.846  3340.00    524.692  78.808  5.9585  77.903  6.2716  0.9054718      8.650809  
1 1 1 -6  55  18 o 68.550  4.4253  2570.87    326.810  2383.90    450.527  2778.51    474.784  65.623  6.4209  70.932  6.2436  -5.308792      8.956025  
1 1 1 -6  55  19 o 15.842  6.3983  61.420     169.668  110.761    249.307  18.851     231.567  19.549  7.8047  17.180  7.2534  2.369030       10.65485  
1 1 1 -6  55  20 o 36.051  4.5573  721.129    173.973  516.167    234.481  972.136    259.486  29.946  7.2964  41.658  5.9174  -11.71180      9.394290  
1 1 1 -6  55  21 o 15.391  6.2963  49.115     166.796  101.148    415.539  39.121     182.111  23.613  9.8255  15.742  6.5235  7.871638       11.79394  
1 1 1 -6  55  22 o 55.568  2.5667  1678.78    154.477  1568.73    186.461  1919.61    275.834  53.558  3.2294  59.050  4.3433  -5.491356      5.412325  
1 1 1 -6  55  23 o 79.886  3.3741  3484.09    291.942  3188.13    603.201  3574.62    333.620  74.893  7.5386  80.827  3.8109  -5.933853      8.447083  
1 1 1 -6  55  24 o 37.457  5.6617  796.269    222.527  1035.27    475.651  729.301    251.781  41.056  10.617  35.476  6.8001  5.580273       12.60830  
1 1 1 -6  55  25 o 46.191  5.3120  1201.92    260.918  2005.08    501.004  903.012    305.637  58.518  8.1237  39.203  7.4708  19.31520       11.03663  
1 1 1 -6  55  26 o 19.110  7.8600  94.502     261.702  0.0000     0.0000   94.502     261.702  ?       ?       19.110  7.8600  0.000000       7.859970  
1 1 1 -6  55  27 o 27.675  8.6902  469.695    290.143  0.0000     0.0000   469.695    290.143  ?       ?       27.675  8.6902  0.000000       8.690230  
1 1 1 -6  55  28 o 53.238  6.1849  1674.93    349.994  0.0000     0.0000   1674.93    349.994  ?       ?       53.238  6.1849  0.000000       6.184947  
1 1 1 -6  55  29 o 20.871  8.6185  172.579    316.232  0.0000     0.0000   172.579    316.232  ?       ?       20.871  8.6185  0.000000       8.618483  
1 1 1 -6  55  30 o 22.326  9.0187  259.672    337.170  0.0000     0.0000   259.672    337.170  ?       ?       22.326  9.0187  0.000000       9.018747  
1 1 1 -6  55  31 o 22.370  9.0526  282.048    340.364  0.0000     0.0000   282.048    340.364  ?       ?       22.370  9.0526  0.000000       9.052612  
1 1 1 -6  56  1  o 73.411  2.7797  2919.96    221.023  3032.55    320.932  2818.38    304.835  74.689  3.9816  71.999  3.9238  2.689392       5.590126  
1 1 1 -6  56  2  o 170.820 3.5042  15814.37   648.332  14831.16   915.517  16803.45   918.248  165.354 5.1119  176.021 4.8164  -10.66757      7.023501  
1 1 1 -6  56  3  o 223.379 4.1890  27052.30   1013.50  26486.86   1433.58  27617.30   1433.04  220.904 5.9917  225.579 5.8653  -4.675400      8.384608  
1 1 1 -6  56  4  o 168.664 3.4428  15417.54   628.926  15896.51   891.933  14943.91   886.959  171.202 4.8101  165.987 4.9336  5.215271       6.890356  
1 1 1 -6  56  5  o 271.081 5.6811  39880.12   1668.04  36040.75   2888.74  41800.57   2043.05  257.069 10.375  277.405 6.7998  -20.33578      12.40477  
1 1 1 -6  56  6  o 328.171 6.5823  58492.76   2339.63  58243.23   2864.78  58992.52   4054.27  327.229 8.0830  328.619 11.391  -1.390717      13.96715  
1 1 1 -6  56  7  o 211.814 4.1848  24326.93   960.054  24204.58   1279.78  24484.40   1451.89  211.179 5.5952  212.332 6.3132  -1.153305      8.435787  
1 1 1 -6  56  8  o 174.304 3.7580  16470.73   709.477  16716.89   957.271  16170.73   1056.80  175.529 5.0352  172.595 5.6532  2.933548       7.570449  
1 1 1 -6  56  9  o 163.862 3.4666  14555.07   615.259  14844.79   869.839  14264.98   870.377  165.409 4.8552  162.140 4.9562  3.268845       6.938077  
1 1 1 -6  56  10 o 49.265  3.4326  1322.06    182.017  1196.03    254.320  1454.42    260.619  46.665  5.1156  51.560  4.7192  -4.894566      6.959918  
1 1 1 -6  56  11 o 123.091 3.0465  8212.39    406.162  8261.91    572.225  8162.12    576.601  123.410 4.2810  122.660 4.3401  0.7504349      6.096199  
1 1 1 -6  56  12 o 178.496 3.7371  17279.72   722.486  17163.62   971.529  17423.38   1080.66  177.788 5.0453  179.076 5.5716  -1.287750      7.516486  
1 1 1 -6  56  13 o 214.705 4.2476  25019.26   987.777  24434.20   1315.02  25776.76   1496.33  211.991 5.7272  217.639 6.3478  -5.647827      8.549573  
1 1 1 -6  56  14 f 121.063 3.1299  7948.42    410.406  8042.71    583.698  7856.23    577.160  121.693 4.4284  120.274 4.4305  1.419151       6.264228  
1 1 1 -6  56  15 o 50.515  3.8538  1393.59    209.264  1365.63    294.345  1422.17    297.569  49.776  5.5544  50.817  5.4938  -1.041351      7.812385  
1 1 1 -6  56  16 o 66.825  4.4772  2439.70    322.182  2533.88    444.266  2335.22    467.922  67.858  6.1102  65.005  6.7440  2.852600       9.100350  
1 1 1 -6  56  17 o 147.778 4.6912  11897.66   750.865  12198.84   1057.04  11590.90   1066.80  149.217 6.5404  145.390 6.7745  3.826843       9.416486  
1 1 1 -6  56  18 f 80.611  3.1434  3530.70    274.454  3437.06    396.185  3617.10    380.559  79.250  4.6358  81.358  4.3343  -2.108215      6.346392  
1 1 1 -6  56  19 o 87.524  3.1691  4164.82    300.420  3865.41    445.972  4413.55    406.485  83.946  4.9265  89.971  4.1713  -6.024208      6.455292  
1 1 1 -6  56  20 o 35.736  5.0417  712.883    189.723  495.210    279.537  898.785    258.333  29.387  8.3755  39.952  6.1686  -10.56492      10.40194  
1 1 1 -6  56  21 o 23.808  6.7408  322.884    181.684  544.710    398.496  264.672    204.136  31.224  10.222  22.216  7.3182  9.008114       12.57160  
1 1 1 -6  56  22 o 98.717  2.9809  5306.60    318.718  6076.95    696.086  5102.26    358.506  104.531 6.1756  96.714  3.4225  7.817490       7.060538  
1 1 1 -6  56  23 o 97.036  2.9664  5132.57    311.768  6049.85    704.334  4909.06    347.685  104.008 6.2818  94.806  3.3859  9.201591       7.136221  
1 1 1 -6  56  24 o 45.864  2.4429  1148.26    120.916  1409.09    498.459  1131.95    124.639  48.286  9.8644  45.521  2.5380  2.764282       10.18566  
1 1 1 -6  56  25 o 62.324  3.9239  2144.28    263.520  2316.31    546.919  2092.27    300.731  62.861  8.2305  61.357  4.5578  1.504368       9.408268  
1 1 1 -6  56  26 o 29.824  7.0131  529.372    222.730  485.571    485.016  541.077    250.731  29.736  11.145  29.981  7.6855  -0.2447014     13.53795  
1 1 1 -6  56  27 f 23.031  7.5629  310.874    218.076  -74.9967   479.316  411.600    244.891  21.598  9.7284  25.977  7.9557  -4.378523      12.56716  
1 1 1 -6  56  28 o 26.234  8.8090  435.081    295.441  0.0000     0.0000   435.081    295.441  ?       ?       26.234  8.8090  0.000000       8.809021  
1 1 1 -6  56  29 f 61.707  5.8777  2253.00    388.089  0.0000     0.0000   2253.00    388.089  ?       ?       61.707  5.8777  0.000000       5.877695  
1 1 1 -6  56  30 o 25.626  9.3995  435.991    341.600  0.0000     0.0000   435.991    341.600  ?       ?       25.626  9.3995  0.000000       9.399515  
1 1 1 -6  56  31 o 20.469  9.4131  -25.3326   479.142  0.0000     0.0000   -25.3326   479.142  ?       ?       20.469  9.4131  0.000000       9.413101  
1 1 1 -6  57  1  o 432.705 7.2259  101734.70  3386.53  106157.00  4791.08  97319.02   4787.48  441.332 10.023  422.441 10.463  18.89139       14.48938  
1 1 1 -6  57  2  o 206.540 3.9373  23124.84   880.796  23528.06   1246.25  22722.42   1245.02  208.232 5.5257  204.629 5.6174  3.602844       7.879651  
1 1 1 -6  57  3  o 89.123  2.7810  4303.67    268.449  4132.81    374.168  4484.92    385.369  87.314  3.9565  90.958  3.9117  -3.644600      5.563761  
1 1 1 -6  57  4  o 62.942  2.9279  2146.64    199.604  2028.48    289.572  2253.61    275.516  61.004  4.4123  64.353  3.9722  -3.348862      5.936940  
1 1 1 -6  57  5  o 264.211 6.7515  37920.65   1932.06  37336.29   2729.85  38507.14   2734.84  261.752 9.6290  265.847 9.4979  -4.094910      13.52507  
1 1 1 -6  57  6  o 167.165 4.0382  15150.46   731.144  14140.72   894.485  17183.28   1269.17  161.442 5.1155  177.858 6.5883  -16.41534      8.341115  
1 1 1 -6  57  7  o 81.533  2.8192  3602.15    248.963  3651.94    351.912  3552.26    352.261  82.071  3.9589  80.942  4.0181  1.129173       5.640724  
1 1 1 -6  57  8  o 358.708 6.1731  69889.52   2398.35  71106.36   3392.19  68673.26   3391.36  361.297 8.6685  355.025 8.8195  6.271576       12.36640  
1 1 1 -6  57  9  o 157.406 3.3818  13430.58   576.558  13769.48   821.420  13101.47   809.464  159.305 4.7607  155.389 4.8096  3.915298       6.767262  
1 1 1 -6  57  10 o 252.069 4.6110  34474.55   1258.88  34690.38   1779.74  34258.45   1780.90  252.621 6.5046  251.036 6.5499  1.584152       9.230927  
1 1 1 -6  57  11 o 55.000  3.3670  1646.17    199.608  1718.28    287.059  1578.66    277.749  56.063  4.7729  53.714  4.8257  2.349056       6.787292  
1 1 1 -6  57  12 o 91.215  2.9058  4510.10    287.082  4383.03    403.168  4640.79    408.882  89.877  4.1416  92.485  4.0819  -2.607521      5.815008  
1 1 1 -6  57  13 o 74.461  3.1085  3006.40    250.695  2907.10    353.384  3107.00    355.699  73.034  4.4891  75.524  4.3670  -2.490593      6.262818  
1 1 1 -6  57  14 o 199.092 3.9109  21517.69   843.335  21611.54   1193.41  21424.07   1191.90  199.285 5.5290  198.416 5.5462  0.8691864      7.831326  
1 1 1 -6  57  15 o 237.726 6.2679  30838.72   1613.87  30882.39   2278.30  30794.74   2286.43  236.993 8.8758  236.638 8.9208  0.3546906      12.58411  
1 1 1 -6  57  16 o 122.866 4.3684  8212.63    581.328  8528.46    814.747  7885.10    829.700  124.951 6.0202  119.910 6.4117  5.040230       8.795043  
1 1 1 -6  57  17 o 71.950  3.7197  2822.46    288.881  2940.96    358.641  2603.54    487.471  73.331  4.5377  68.581  6.6460  4.750496       8.047361  
1 1 1 -6  57  18 o 81.505  3.2018  3610.58    282.654  3606.89    416.160  3613.75    385.109  81.152  4.7554  81.297  4.3899  -0.1443634     6.471874  
1 1 1 -6  57  19 o 60.412  3.4973  1992.81    227.860  1990.71    334.461  1994.62    311.273  60.086  5.1903  60.220  4.8125  -0.1342621     7.078091  
1 1 1 -6  57  20 o 97.387  3.0804  5159.55    324.924  5097.51    472.032  5215.41    447.939  96.549  4.5139  97.716  4.2324  -1.167328      6.187767  
1 1 1 -6  57  21 o 96.847  3.0766  5106.08    322.724  6650.88    669.457  4638.41    368.350  109.714 5.6529  92.200  3.6886  17.51382       6.749862  
1 1 1 -6  57  22 o 24.202  7.2603  332.509    205.460  248.904    414.378  359.764    236.590  25.706  10.125  25.251  7.8340  0.4542007      12.80201  
1 1 1 -6  57  23 o 41.516  5.0805  965.357    223.680  801.064    467.407  1014.16    254.744  36.405  10.957  42.395  5.6916  -5.990063      12.34735  
1 1 1 -6  57  24 o 27.085  6.6972  429.167    195.366  227.177    336.811  531.586    239.835  23.530  9.1694  30.017  7.4193  -6.487030      11.79511  
1 1 1 -6  57  25 o 44.915  5.0013  1133.32    239.167  1557.62    510.921  1014.25    270.652  50.599  9.6754  42.086  6.1166  8.512997       11.44662  
1 1 1 -6  57  26 o 50.360  4.5576  1421.04    245.902  1490.80    523.948  1401.34    278.476  48.560  10.282  49.739  5.2484  -1.178555      11.54402  
1 1 1 -6  57  27 o 22.822  7.5879  306.095    219.271  384.481    487.939  286.260    245.450  27.206  10.899  22.554  8.0071  4.652334       13.52392  
1 1 1 -6  57  28 o 51.338  1.7076  1436.43    94.949   1355.38    140.153  1505.18    129.086  49.591  2.6186  52.424  2.2734  -2.833366      3.467785  
1 1 1 -6  57  29 o 26.666  8.5395  465.316    279.032  0.0000     0.0000   465.316    279.032  ?       ?       26.666  8.5395  0.000000       8.539471  
1 1 1 -6  57  30 o 18.699  8.2817  30.960     332.272  0.0000     0.0000   30.960     332.272  ?       ?       18.699  8.2817  0.000000       8.281693  
1 1 1 -6  57  31 o 24.960  11.074  307.758    596.587  0.0000     0.0000   307.758    596.587  ?       ?       24.960  11.074  0.000000       11.07380  
1 1 1 -6  58  1  o 115.434 2.9574  7220.32    369.751  7388.76    528.636  7059.00    517.360  116.739 4.1809  114.104 4.1862  2.634895       5.916434  
1 1 1 -6  58  2  o 87.750  2.7527  4172.06    261.623  4259.44    372.352  4086.87    367.674  88.642  3.8783  86.827  3.9096  1.814919       5.506948  
1 1 1 -6  58  3  o 148.723 3.2966  11987.08   531.027  11760.59   752.890  12211.28   749.095  147.255 4.7205  150.056 4.6091  -2.800217      6.597496  
1 1 1 -6  58  4  o 274.549 5.7295  40912.43   1703.76  41898.92   2953.13  40420.25   2085.91  277.235 9.8348  272.734 7.0613  4.501038       12.10723  
1 1 1 -6  58  5  o 90.188  4.0023  4409.93    390.957  4547.37    543.317  4262.35    563.002  91.371  5.5159  88.411  5.9135  2.959984       8.086681  
1 1 1 -6  58  6  o 117.119 2.9183  7433.07    370.191  7287.49    522.226  7580.11    524.842  115.929 4.1591  118.236 4.0983  -2.306755      5.839028  
1 1 1 -6  58  7  o 213.167 4.0624  24639.66   937.932  24427.73   1327.90  24850.66   1324.98  212.110 5.7801  213.944 5.7179  -1.834213      8.130424  
1 1 1 -6  58  8  o 251.289 4.5813  34255.91   1246.90  34085.33   1763.94  34426.27   1762.84  250.445 6.5028  251.699 6.4664  -1.254288      9.170643  
1 1 1 -6  58  9  o 285.031 5.0484  44093.97   1558.53  46181.80   2204.36  42007.15   2203.82  291.409 6.9841  277.868 7.3227  13.54089       10.11924  
1 1 1 -6  58  10 o 268.430 4.8352  39108.56   1405.78  39449.00   1989.12  38768.85   1987.02  269.299 6.8195  266.959 6.8721  2.340759       9.681515  
1 1 1 -6  58  11 o 221.997 4.2031  26739.12   1010.62  26813.06   1431.82  26665.70   1426.68  222.095 5.9522  221.484 5.9472  0.6104736      8.414162  
1 1 1 -6  58  12 o 62.479  3.1099  2116.53    210.452  2080.69    294.537  2153.91    300.810  61.753  4.4332  62.834  4.4488  -1.081009      6.280527  
1 1 1 -6  58  13 o 200.005 3.9115  21710.64   847.341  21348.67   1200.22  22070.32   1196.43  198.105 5.5937  201.443 5.4836  -3.337982      7.833192  
1 1 1 -6  58  14 o 25.979  7.9332  370.584    243.715  507.013    349.503  241.456    340.022  30.474  9.5327  24.611  9.3085  5.863129       13.32371  
1 1 1 -6  58  15 o 233.711 6.1973  29819.50   1568.74  30192.56   2214.70  29443.86   2222.38  234.245 8.7292  231.262 8.8725  2.983047       12.44667  
1 1 1 -6  58  16 o 96.444  4.1341  5059.71    431.845  4660.88    598.755  5492.08    623.435  92.143  6.0328  100.108 5.7743  -7.964302      8.350903  
1 1 1 -6  58  17 o 113.881 3.0563  7044.05    376.985  6928.33    553.050  7144.49    515.231  112.743 4.5290  114.547 4.1529  -1.804100      6.144776  
1 1 1 -6  58  18 o 95.799  2.8869  4985.45    299.544  5288.42    455.615  4754.79    397.539  98.487  4.2712  93.434  3.9283  5.052521       5.802985  
1 1 1 -6  58  19 o 96.066  3.1400  5018.85    326.715  5380.61    482.145  4711.70    444.266  99.252  4.4850  92.890  4.4157  6.362030       6.293986  
1 1 1 -6  58  20 o 36.856  4.9686  757.686    193.285  613.346    286.564  878.161    261.804  32.492  8.1555  39.402  6.3505  -6.910301      10.33637  
1 1 1 -6  58  21 o 119.084 3.1486  7723.73    406.114  7775.06    788.688  7705.21    473.748  118.374 6.1728  118.817 3.6813  -0.4427032     7.187186  
1 1 1 -6  58  22 o 132.306 3.3042  9550.44    473.499  8908.79    945.191  9765.41    547.098  126.025 6.9514  133.634 3.7799  -7.609276      7.912646  
1 1 1 -6  58  23 o 92.568  2.8769  4671.33    288.438  4546.96    589.049  4710.56    330.811  90.122  6.0700  92.862  3.2891  -2.740250      6.903796  
1 1 1 -6  58  24 f 58.501  2.6738  1865.90    169.419  2449.79    515.772  1795.28    179.372  65.227  7.4334  57.278  2.9008  7.948891       7.979352  
1 1 1 -6  58  25 o 95.168  3.3359  4963.85    343.858  4287.52    699.814  5179.11    394.804  86.068  7.5846  97.055  3.7557  -10.98698      8.463542  
1 1 1 -6  58  26 o 37.799  1.9614  779.997    80.025   781.913    84.021   761.282    262.620  37.831  2.0583  35.757  7.0316  2.073753       7.326704  
1 1 1 -6  58  27 o 20.144  7.4914  208.743    218.310  194.641    490.542  212.226    243.782  24.496  10.458  20.673  7.8667  3.823193       13.08625  
1 1 1 -6  58  28 o 47.109  4.9550  1278.89    249.034  804.207    543.245  1405.19    280.211  33.196  11.899  49.164  5.3485  -15.96852      13.04549  
1 1 1 -6  58  29 o 22.357  8.1118  297.132    253.422  0.0000     0.0000   297.132    253.422  ?       ?       22.357  8.1118  0.000000       8.111770  
1 1 1 -6  58  30 o 24.885  9.0762  408.568    317.858  0.0000     0.0000   408.568    317.858  ?       ?       24.885  9.0762  0.000000       9.076185  
1 1 1 -6  58  31 f 24.006  10.208  316.286    464.097  0.0000     0.0000   316.286    464.097  ?       ?       24.006  10.208  0.000000       10.20842  
1 1 1 -6  59  1  o 290.351 5.5593  45751.26   1748.28  46611.39   2685.19  45118.35   2303.38  292.659 8.4712  288.103 7.3815  4.555847       11.23600  
1 1 1 -6  59  2  o 309.328 5.4612  51924.03   1829.68  51831.38   2588.32  52016.57   2586.81  308.733 7.7404  309.287 7.7221  -0.5540771     10.93363  
1 1 1 -6  59  3  o 381.711 6.5682  79143.60   2715.50  78241.70   3841.16  80044.70   3839.45  378.944 9.3587  383.313 9.2479  -4.368774      13.15715  
1 1 1 -6  59  4  o 79.834  3.3068  3454.25    285.931  4334.51    486.255  2989.00    353.507  89.241  5.0515  74.109  4.4243  15.13229       6.715039  
1 1 1 -6  59  5  o 381.062 7.5397  78968.91   3111.85  77910.52   3810.39  81088.48   5392.23  378.085 9.3048  384.575 12.945  -6.489319      15.94255  
1 1 1 -6  59  6  o 245.429 4.5218  32672.32   1202.00  33110.96   1701.20  32235.03   1698.57  246.880 6.3621  243.584 6.4382  3.296570       9.051330  
1 1 1 -6  59  7  o 409.859 6.9576  91330.00   3088.61  89354.93   4368.21  93304.59   4367.69  404.571 9.9687  413.486 9.7526  -8.915680      13.94591  
1 1 1 -6  59  8  o 333.086 5.8170  60255.48   2098.57  61379.60   2967.77  59131.26   2967.90  335.714 8.1619  329.472 8.3169  6.241425       11.65276  
1 1 1 -6  59  9  o 220.970 4.1778  26485.39   999.880  26437.90   1415.78  26532.65   1412.31  220.592 5.9256  220.990 5.9005  -0.3979492     8.362343  
1 1 1 -6  59  10 o 235.203 4.3696  30017.37   1113.14  30788.56   1574.27  29246.27   1574.18  237.985 6.1074  231.924 6.2667  6.060471       8.750540  
1 1 1 -6  59  11 o 245.450 4.7542  32710.66   1263.88  32979.63   1674.64  32354.70   1926.51  246.220 6.2795  243.684 7.2992  2.536285       9.628627  
1 1 1 -6  59  12 o 140.032 3.2472  10634.13   492.497  10856.94   698.377  10413.71   694.631  141.395 4.5602  138.473 4.6315  2.922256       6.499695  
1 1 1 -6  59  13 o 150.678 3.8604  12324.18   630.018  12360.59   773.947  12252.68   1084.71  150.810 4.7382  149.889 6.6815  0.9213104      8.190994  
1 1 1 -6  59  14 o 146.092 4.6147  11605.19   730.195  11233.83   1025.08  11987.73   1040.40  143.432 6.5984  148.188 6.4821  -4.756042      9.249682  
1 1 1 -6  59  15 o 142.256 4.6227  11013.55   712.260  11217.22   1008.47  10810.83   1006.11  143.220 6.5011  140.579 6.6078  2.640839       9.269667  
1 1 1 -6  59  16 o 167.231 3.5412  15198.85   641.418  14516.50   914.599  15859.28   899.785  163.107 5.1771  170.557 4.8708  -7.450531      7.108255  
1 1 1 -6  59  17 o 132.231 3.2344  9502.15    463.224  9783.46    657.747  9225.33    652.479  133.949 4.5337  130.052 4.6321  3.896362       6.481566  
1 1 1 -6  59  18 o 116.584 3.1586  7388.99    398.848  7540.77    577.193  7250.29    551.778  117.537 4.5340  115.273 4.4194  2.263458       6.331510  
1 1 1 -6  59  19 o 38.402  4.7656  818.707    193.956  848.101    283.656  792.897    265.803  38.580  7.0480  37.325  6.8265  1.254971       9.812041  
1 1 1 -6  59  20 o 67.119  3.3846  2460.42    245.258  2837.32    362.461  2142.12    333.091  71.824  4.6850  62.300  4.9779  9.524490       6.835833  
1 1 1 -6  59  21 o 51.085  5.0894  1448.76    277.850  1680.65    471.994  1325.78    343.716  54.044  8.3311  48.398  6.7400  5.646820       10.71606  
1 1 1 -6  59  22 f 57.902  3.9636  1844.22    247.078  1863.45    496.367  1837.88    284.880  56.769  8.3196  57.648  4.6009  -0.8783379     9.507009  
1 1 1 -6  59  23 o 49.997  4.4311  1385.99    237.470  1115.96    479.822  1473.59    273.287  42.717  10.455  51.415  4.9694  -8.698654      11.57637  
1 1 1 -6  59  24 o 102.516 3.3248  5752.02    369.174  5699.19    732.157  5770.02    427.497  100.189 6.7871  102.492 3.8510  -2.303352      7.803507  
1 1 1 -6  59  25 o 24.986  7.4465  366.508    216.660  -37.7639   444.227  492.689    248.179  21.801  9.6197  28.685  7.7878  -6.883673      12.37695  
1 1 1 -6  59  26 o 36.138  6.0944  764.109    230.058  329.960    466.157  903.898    264.515  26.579  10.651  39.209  6.4533  -12.62988      12.45331  
1 1 1 -6  59  27 o 47.743  4.8184  1303.35    245.757  1553.45    526.157  1233.56    277.938  47.977  10.424  45.959  5.7063  2.017906       11.88327  
1 1 1 -6  59  28 o 50.614  4.6820  1467.12    253.760  1289.12    542.570  1516.96    287.096  41.889  11.574  51.117  5.2606  -9.227402      12.71369  
1 1 1 -6  59  29 o 15.790  3.7742  145.469    63.669   0.0000     0.0000   145.469    63.669   ?       ?       15.790  3.7742  0.000000       3.774193  
1 1 1 -6  59  30 o 22.707  8.8467  305.371    313.464  0.0000     0.0000   305.371    313.464  ?       ?       22.707  8.8467  0.000000       8.846686  
1 1 1 -6  59  31 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -6  60  1  o 142.571 3.1206  11015.50   481.886  11430.66   688.002  10615.70   675.159  145.184 4.3752  139.909 4.4554  5.274719       6.244493  
1 1 1 -6  60  2  o 85.513  2.5826  3961.96    239.197  3629.67    314.342  4419.03    368.666  81.831  3.5466  90.286  3.7700  -8.455338      5.176057  
1 1 1 -6  60  3  o 247.027 5.2656  33114.02   1408.83  32095.86   2441.66  33622.18   1724.94  242.679 9.2893  248.794 6.4012  -6.115189      11.28126  
1 1 1 -6  60  4  o 433.606 10.376  102644.60  4873.14  96117.68   6889.64  109179.20  6893.69  417.660 15.230  445.596 14.284  -27.93512      20.88015  
1 1 1 -6  60  5  o 258.431 5.4307  36252.05   1520.08  36976.42   1860.68  34798.45   2635.80  260.859 6.5856  252.572 9.6351  8.286423       11.67071  
1 1 1 -6  60  6  o 9.8882  4.6216  -121.9703  122.769  -219.3229  177.046  -31.8015   170.389  11.314  5.3676  13.913  6.0529  -2.599056      8.090014  
1 1 1 -6  60  7  o 119.740 3.0020  7770.52    389.330  7546.56    551.006  7993.82    550.187  117.955 4.3129  121.405 4.1841  -3.450630      6.008993  
1 1 1 -6  60  8  o 127.934 3.0945  8871.27    428.796  8722.04    609.417  9017.59    603.445  126.795 4.4375  128.931 4.3212  -2.136314      6.193941  
1 1 1 -6  60  9  o 97.764  2.8108  5180.09    297.634  5087.36    444.226  5255.62    400.933  96.837  4.2354  98.444  3.7602  -1.606987      5.663734  
1 1 1 -6  60  10 o 198.737 3.9024  21425.00   839.995  21527.51   1190.04  21323.21   1185.84  199.046 5.5200  198.098 5.5268  0.9475861      7.811257  
1 1 1 -6  60  11 o 303.767 5.3747  50151.53   1768.35  50218.69   2500.28  50084.30   2501.36  303.425 7.6079  303.015 7.6215  0.4100952      10.76887  
1 1 1 -6  60  12 o 172.823 3.6044  16205.57   674.699  16344.51   951.123  16064.84   957.243  173.404 5.0642  171.904 5.1412  1.499710       7.216506  
1 1 1 -6  60  13 o 265.840 6.8421  38584.78   1970.05  38118.14   2786.95  39050.83   2785.20  263.118 9.7793  266.373 9.6537  -3.255402      13.74153  
1 1 1 -6  60  14 o 203.228 5.6110  22513.34   1235.07  23433.76   1743.36  21585.93   1749.96  206.720 7.7864  198.285 8.1483  8.434982       11.27044  
1 1 1 -6  60  15 f 87.688  3.1202  4174.41    296.344  3965.04    429.701  4364.31    409.235  85.205  4.6741  89.570  4.2183  -4.364891      6.296125  
1 1 1 -6  60  16 o 37.628  1.7330  767.467    70.627   729.822    260.400  770.456    73.377   35.858  6.9557  37.700  1.7970  -1.841846      7.184128  
1 1 1 -6  60  17 o 172.529 3.6161  16194.61   675.722  15883.54   957.376  16503.40   953.865  170.449 5.1858  173.780 5.0678  -3.330963      7.250860  
1 1 1 -6  60  18 o 92.001  2.8515  4598.85    284.141  4688.72    436.086  4532.55    374.565  92.697  4.3435  91.222  3.7910  1.474854       5.765234  
1 1 1 -6  60  19 o 109.890 3.1583  6570.64    375.903  6765.53    550.449  6400.32    514.575  111.221 4.5694  108.218 4.3901  3.002655       6.336640  
1 1 1 -6  60  20 o 118.117 3.2761  7599.41    419.122  7947.03    630.676  7324.46    560.897  120.379 4.8371  115.671 4.4770  4.707642       6.591004  
1 1 1 -6  60  21 o 75.909  4.0364  3161.25    330.666  2873.32    562.093  3313.63    408.906  71.279  7.3881  77.490  4.8972  -6.210693      8.863758  
1 1 1 -6  60  22 o 97.034  3.3071  5140.77    347.574  5123.68    686.016  5146.68    403.148  95.481  6.6756  96.954  3.8391  -1.472855      7.700799  
1 1 1 -6  60  23 o 72.909  2.7581  2897.77    217.799  2810.53    565.285  2912.98    236.020  69.967  7.5806  73.059  2.9827  -3.092079      8.146276  
1 1 1 -6  60  24 o 33.862  2.0828  625.940    76.020   705.798    459.913  623.697    77.080   34.077  10.969  33.797  2.1164  0.2798958      11.17096  
1 1 1 -6  60  25 o 26.327  1.8534  378.757    52.512   450.205    450.905  377.775    52.872   28.835  10.758  26.291  1.8689  2.544331       10.91903  
1 1 1 -6  60  26 o 59.999  2.6032  1971.27    169.171  1821.40    536.810  1987.80    178.253  53.579  9.6030  60.216  2.7331  -6.636395      9.984380  
1 1 1 -6  60  27 o 49.741  4.6381  1409.69    246.996  1094.67    513.060  1504.72    281.801  39.130  11.406  51.109  5.1613  -11.97963      12.51931  
1 1 1 -6  60  28 o 37.981  5.9382  860.945    236.284  1000.35    496.411  820.108    268.671  36.813  11.336  36.376  7.0739  0.4362411      13.36177  
1 1 1 -6  60  29 o 29.598  8.6847  592.531    296.582  0.0000     0.0000   592.531    296.582  ?       ?       29.598  8.6847  0.000000       8.684688  
1 1 1 -6  60  30 o 30.149  9.1666  644.599    325.907  0.0000     0.0000   644.599    325.907  ?       ?       30.149  9.1666  0.000000       9.166582  
1 1 1 -6  61  1  o 225.170 4.0832  27492.27   995.827  28784.82   1412.26  26214.05   1404.40  230.269 5.6625  219.723 5.9013  10.54601       8.178563  
1 1 1 -6  61  2  o 260.448 4.6870  36796.71   1322.16  37085.91   1870.47  36507.91   1869.16  261.253 6.6103  259.203 6.6579  2.050110       9.382054  
1 1 1 -6  61  3  o 425.049 8.5015  98390.81   3913.83  91308.94   6781.20  101928.30  4792.65  406.884 15.387  432.077 10.241  -25.19360      18.48384  
1 1 1 -6  61  4  o 219.549 4.7674  26150.79   1133.66  25050.36   1386.29  28372.30   1969.68  214.772 5.9594  228.317 7.9650  -13.54570      9.947695  
1 1 1 -6  61  5  o 334.793 5.7980  60866.23   2102.44  61541.21   2974.67  60192.50   2971.93  336.195 8.1692  332.472 8.2530  3.722809       11.61240  
1 1 1 -6  61  6  o 221.714 4.1853  26660.47   1005.05  26873.59   1421.44  26447.40   1421.28  222.437 5.9000  220.661 5.9468  1.776001       8.376997  
1 1 1 -6  61  7  o 37.629  4.0425  776.743    162.171  943.682    240.054  636.594    219.951  41.327  5.4995  33.691  6.2579  7.635391       8.331000  
1 1 1 -6  61  8  o 348.889 6.0439  66154.88   2283.90  64315.73   3229.44  67995.13   3230.40  343.357 8.6838  353.111 8.4465  -9.754486      12.11411  
1 1 1 -6  61  9  o 271.741 4.8992  40091.98   1441.94  40361.33   2039.45  39822.76   2038.97  272.309 6.9148  270.477 6.9600  1.831879       9.811037  
1 1 1 -6  61  10 o 126.759 3.1468  8711.80    432.028  8802.84    610.976  8620.76    610.984  127.346 4.4297  126.019 4.4764  1.326981       6.297591  
1 1 1 -6  61  11 o 133.787 3.1884  9706.69    462.009  9345.44    653.606  10067.44   653.153  131.176 4.6004  136.163 4.4288  -4.987213      6.385741  
1 1 1 -6  61  12 o 176.044 5.1270  16854.74   977.584  16452.94   1386.09  17252.41   1378.97  173.542 7.3742  177.752 7.1626  -4.210022      10.28013  
1 1 1 -6  61  13 o 174.434 5.0677  16558.71   957.445  16257.32   1349.93  16863.80   1358.17  172.405 7.2292  175.613 7.1405  -3.207504      10.16111  
1 1 1 -6  61  14 o 139.057 3.2633  10497.43   491.502  10400.60   696.085  10593.72   694.097  138.241 4.6490  139.527 4.5930  -1.285797      6.535139  
1 1 1 -6  61  15 f 242.589 4.5115  32048.69   1185.39  31432.06   1678.62  32662.05   1674.18  239.539 6.4700  244.241 6.3287  -4.702011      9.050613  
1 1 1 -6  61  16 o 272.696 4.9266  40586.97   1455.11  39878.22   2062.05  41289.97   2053.67  269.197 7.0723  274.013 6.9197  -4.816467      9.894403  
1 1 1 -6  61  17 o 66.969  2.5884  2434.81    187.751  2227.88    352.006  2517.08    221.959  63.625  5.1523  68.061  3.0109  -4.436478      5.967542  
1 1 1 -6  61  18 o 85.417  3.0861  3967.23    285.511  3760.95    407.022  4167.04    400.601  82.849  4.5533  87.387  4.2325  -4.538033      6.216666  
1 1 1 -6  61  19 o 64.714  3.4283  2287.48    239.438  2356.47    347.929  2225.40    330.014  65.387  4.9494  63.559  4.8300  1.828358       6.915610  
1 1 1 -6  61  20 o 62.421  3.8008  2134.96    255.742  2745.42    415.960  1763.96    324.273  70.399  5.4989  56.371  5.3763  14.02847       7.690412  
1 1 1 -6  61  21 o 86.626  3.8645  4103.97    362.586  4177.70    618.319  4065.32    447.627  86.338  6.6637  85.851  4.8336  0.4869156      8.232161  
1 1 1 -6  61  22 o 102.420 3.2301  5726.57    358.322  6007.17    719.053  5633.87    413.294  103.492 6.4468  101.443 3.7615  2.048630       7.463965  
1 1 1 -6  61  23 o 72.134  3.5525  2849.94    277.549  2433.41    558.330  2986.66    319.871  64.709  8.1469  73.621  4.0267  -8.912437      9.087718  
1 1 1 -6  61  24 o 62.180  4.0390  2137.27    270.544  1868.59    530.562  2231.68    314.506  55.894  9.0753  63.350  4.6154  -7.456436      10.18153  
1 1 1 -6  61  25 o 70.813  3.6855  2770.67    281.692  2459.18    570.272  2871.21    323.976  64.103  8.4171  71.887  4.1790  -7.784485      9.397367  
1 1 1 -6  61  26 o 90.762  3.4376  4555.10    337.934  3623.93    680.364  4860.06    389.359  76.937  8.2958  93.509  3.8444  -16.57157      9.143263  
1 1 1 -6  61  27 o 36.101  1.3219  708.367    51.687   728.688    52.798   240.724    253.279  36.614  1.3314  21.367  8.0449  15.24629       8.154289  
1 1 1 -6  61  28 o 43.720  5.2672  1116.34    244.398  532.600    514.001  1286.87    277.812  28.561  11.268  46.765  5.5959  -18.20441      12.58118  
1 1 1 -6  61  29 f 28.676  8.7453  558.726    296.310  0.0000     0.0000   558.726    296.310  ?       ?       28.676  8.7453  0.000000       8.745297  
1 1 1 -6  61  30 o 23.804  8.8537  362.961    304.948  0.0000     0.0000   362.961    304.948  ?       ?       23.804  8.8537  0.000000       8.853702  
1 1 1 -6  62  1  o 324.453 5.6941  57155.34   2001.00  57051.43   2832.05  57258.94   2827.64  323.740 8.0767  324.333 8.0494  -0.5938416     11.40290  
1 1 1 -6  62  2  o 31.682  4.0891  553.328    137.040  471.036    198.318  628.533    189.586  28.875  6.4981  33.611  5.3900  -4.735439      8.442536  
1 1 1 -6  62  3  o 173.461 5.0296  16327.76   944.936  15707.67   1334.82  16950.68   1337.87  169.949 7.2516  176.571 6.9956  -6.622147      10.07589  
1 1 1 -6  62  4  o 178.521 4.1716  17283.82   806.608  17307.93   986.906  17235.31   1399.88  178.582 5.1023  178.013 7.2605  0.5695801      8.874072  
1 1 1 -6  62  5  o 125.732 3.0421  8567.85    414.278  7946.83    586.015  9188.29    585.740  121.034 4.4702  130.160 4.1549  -9.126122      6.102949  
1 1 1 -6  62  6  o 227.889 4.2386  28170.61   1046.20  29217.21   1481.45  27129.37   1477.65  231.907 5.8980  223.443 6.1057  8.464737       8.489144  
1 1 1 -6  62  7  o 306.274 5.4088  50943.55   1794.24  51822.82   2537.98  50065.02   2536.91  308.481 7.5961  303.176 7.7258  5.305908       10.83455  
1 1 1 -6  62  8  o 149.495 3.3006  12116.78   534.433  11626.40   758.116  12601.21   753.511  146.347 4.7828  152.375 4.5657  -6.027802      6.612151  
1 1 1 -6  62  9  o 254.693 4.5974  35215.50   1268.24  34445.33   1796.03  35981.43   1791.09  251.569 6.5915  257.148 6.4308  -5.579208      9.208867  
1 1 1 -6  62  10 o 229.661 4.5495  28640.94   1131.67  28486.45   1504.17  28842.46   1717.88  228.800 6.0698  230.066 6.8940  -1.265549      9.185274  
1 1 1 -6  62  11 o 217.543 5.8532  25761.63   1379.15  26569.50   1950.13  24953.31   1950.68  220.390 8.1696  213.511 8.4352  6.878616       11.74290  
1 1 1 -6  62  12 o 107.925 4.1912  6327.64    489.932  6956.50    689.266  5685.46    696.528  113.020 5.6307  101.905 6.3420  11.11449       8.480931  
1 1 1 -6  62  13 o 65.362  3.2493  2318.72    230.033  2160.66    324.964  2477.46    325.667  62.831  4.8118  67.347  4.4904  -4.516060      6.581548  
1 1 1 -6  62  14 o 59.899  3.5049  1955.63    226.396  1909.93    328.399  1997.02    312.535  58.964  5.1953  60.361  4.8207  -1.397141      7.087305  
1 1 1 -6  62  15 o 87.240  3.1367  4133.66    296.390  4237.52    430.159  4039.78    408.962  88.076  4.5245  86.011  4.4047  2.065483       6.314455  
1 1 1 -6  62  16 o 75.436  2.6848  3089.37    219.363  3310.25    383.375  2981.85    267.476  77.773  4.5713  74.062  3.3344  3.710892       5.658146  
1 1 1 -6  62  17 o 52.090  3.6579  1484.17    205.066  1501.93    291.610  1466.80    288.431  52.134  5.2350  51.513  5.2426  0.6213760      7.408782  
1 1 1 -6  62  18 o 6.4009  2.7535  -3.1879    34.473   746.967    287.999  -14.0919   34.722   36.028  7.6186  5.9650  2.6576  30.06253       8.068820  
1 1 1 -6  62  19 o 38.098  4.8561  807.882    195.825  783.535    288.075  828.797    267.000  36.893  7.4656  38.160  6.7047  -1.266720      10.03437  
1 1 1 -6  62  20 o 96.158  3.3379  5040.50    347.644  5277.06    532.547  4864.83    458.915  97.855  5.0418  94.216  4.4971  3.638458       6.756026  
1 1 1 -6  62  21 o 74.907  4.0645  3082.22    328.526  3273.95    560.912  2982.10    405.324  76.237  6.8667  73.369  5.1329  2.867973       8.573099  
1 1 1 -6  62  22 o 51.144  2.2939  1422.50    127.069  1267.13    474.216  1434.52    131.892  45.881  9.8380  51.352  2.3713  -5.470936      10.11976  
1 1 1 -6  62  23 o 58.840  3.9817  1910.64    252.258  2340.24    511.421  1772.51    289.989  63.706  7.5594  56.426  4.7902  7.279892       8.949293  
1 1 1 -6  62  24 o 55.900  4.1958  1733.71    252.183  1114.48    513.165  1930.87    289.559  41.863  11.127  58.880  4.5764  -17.01712      12.03133  
1 1 1 -6  62  25 o 44.092  5.1102  1104.76    239.518  1269.07    491.930  1053.71    274.216  44.379  10.413  42.627  6.1144  1.751968       12.07581  
1 1 1 -6  62  26 o 80.135  3.5864  3562.63    311.277  4264.31    627.130  3333.25    358.564  84.791  6.8882  76.994  4.3171  7.797195       8.129312  
1 1 1 -6  62  27 o 32.484  1.9763  578.318    69.205   520.707    482.027  579.530    69.929   28.681  11.027  32.515  1.9953  -3.833843      11.20566  
1 1 1 -6  62  28 o 28.611  7.3694  520.428    229.765  249.544    486.123  598.349    260.725  24.381  10.410  30.438  7.8555  -6.057480      13.04108  
1 1 1 -6  62  29 o 30.555  8.6598  635.669    299.703  0.0000     0.0000   635.669    299.703  ?       ?       30.555  8.6598  0.000000       8.659799  
1 1 1 -6  62  30 o 27.021  11.136  500.949    526.562  0.0000     0.0000   500.949    526.562  ?       ?       27.021  11.136  0.000000       11.13565  
1 1 1 -6  63  1  o 251.771 4.6709  34390.06   1273.71  33129.98   1802.58  35646.59   1800.04  246.875 6.7414  256.115 6.4890  -9.240097      9.356959  
1 1 1 -6  63  2  o 133.467 3.6265  9657.46    524.237  9155.65    915.224  9902.50    639.549  129.630 6.5396  135.116 4.3702  -5.486008      7.865448  
1 1 1 -6  63  3  f 49.790  4.6873  1356.90    249.801  1489.34    348.706  1217.29    358.022  51.974  6.3249  46.753  7.3095  5.220490       9.666104  
1 1 1 -6  63  4  o 49.652  3.1595  1341.66    169.025  1376.44    237.160  1305.76    240.962  50.179  4.4083  48.841  4.6095  1.337940       6.378152  
1 1 1 -6  63  5  o 184.787 3.6860  18515.23   737.735  18002.70   1046.03  19022.47   1040.62  182.089 5.3038  187.191 5.1326  -5.101685      7.380671  
1 1 1 -6  63  6  f 135.723 3.1372  9985.28    461.175  9822.76    649.392  10150.63   655.045  134.548 4.4561  136.777 4.4217  -2.229095      6.277617  
1 1 1 -6  63  7  o 201.915 3.9076  22113.93   854.563  21142.13   1210.54  23079.31   1206.54  197.256 5.6660  206.126 5.4043  -8.869873      7.830097  
1 1 1 -6  63  8  o 409.676 7.5285  91477.38   3340.54  91364.84   4379.74  91633.92   5165.35  408.471 9.8996  408.189 11.683  0.2821350      15.31349  
1 1 1 -6  63  9  o 177.747 3.6359  17138.54   699.977  17033.74   989.504  17243.51   990.330  177.053 5.1599  178.143 5.1327  -1.090027      7.277987  
1 1 1 -6  63  10 o 148.954 4.7122  12054.02   760.223  11405.59   1083.52  12682.72   1066.91  144.626 6.9170  152.576 6.4561  -7.949707      9.461879  
1 1 1 -6  63  11 o 109.503 4.2607  6513.49    505.328  6486.25    726.130  6539.07    703.683  108.919 6.1806  109.399 5.9612  -0.4799500     8.586974  
1 1 1 -6  63  12 o 145.763 3.4351  11532.67   542.320  11036.16   746.281  12088.28   789.450  142.431 4.8376  149.059 4.8899  -6.627472      6.878430  
1 1 1 -6  63  13 o 241.696 4.4876  31783.07   1174.78  32359.34   1664.54  31211.14   1658.24  243.325 6.3159  238.938 6.4076  4.387787       8.997102  
1 1 1 -6  63  14 o 251.296 4.6068  34397.28   1253.89  34926.34   1776.73  33872.31   1769.82  252.502 6.4966  248.629 6.5722  3.872467       9.241168  
1 1 1 -6  63  15 o 151.142 3.3744  12415.56   552.391  12111.97   786.461  12711.15   776.041  148.993 4.8735  152.675 4.6929  -3.682129      6.765705  
1 1 1 -6  63  16 o 88.800  3.0547  4284.72    293.804  4414.83    420.132  4160.18    411.023  89.990  4.3104  87.351  4.3444  2.638527       6.119925  
1 1 1 -6  63  17 o 15.330  6.2516  49.986     163.790  -20.6919   235.926  115.744    227.568  16.615  7.1751  19.000  7.4972  -2.384686      10.37735  
1 1 1 -6  63  18 o 70.187  3.2003  2680.81    243.285  2450.27    346.416  2905.17    341.745  66.728  4.8257  72.788  4.3548  -6.060791      6.500129  
1 1 1 -6  63  19 o 20.528  6.7565  224.787    174.012  233.883    248.360  216.017    243.883  22.191  8.0336  21.665  7.9428  0.5259857      11.29718  
1 1 1 -6  63  20 o 31.791  7.1234  585.570    239.200  885.335    378.063  385.470    308.885  38.709  9.1601  26.697  9.0070  12.01257       12.84653  
1 1 1 -6  63  21 o 64.868  4.0641  2314.76    284.099  3007.44    437.219  1808.57    373.756  73.514  5.5316  56.699  6.1865  16.81501       8.298884  
1 1 1 -6  63  22 o 48.218  4.4975  1290.98    232.174  636.271    470.657  1501.54    266.909  33.044  11.118  51.948  4.7980  -18.90434      12.10944  
1 1 1 -6  63  23 o 58.866  4.0002  1913.14    253.528  2083.39    515.592  1858.84    291.159  59.727  8.1855  57.814  4.6901  1.912502       9.434010  
1 1 1 -6  63  24 o 18.011  7.1988  107.770    212.346  -156.9007  440.191  188.039    242.417  20.408  9.2454  20.582  7.8417  -0.1741905     12.12308  
1 1 1 -6  63  25 o 48.259  4.7485  1316.24    244.988  1535.03    503.154  1248.25    280.481  49.145  9.7964  46.574  5.6777  2.570900       11.32284  
1 1 1 -6  63  26 o 57.618  4.3006  1872.26    266.447  2019.73    541.466  1825.14    306.069  56.173  9.2196  56.460  5.0587  -0.2862892     10.51622  
1 1 1 -6  63  27 o 61.469  4.2752  2137.62    282.860  2978.09    564.820  1856.27    326.792  69.577  7.6196  56.547  5.4014  13.03019       9.339936  
1 1 1 -6  63  28 o 30.473  7.9112  603.254    263.407  0.0000     0.0000   603.254    263.407  ?       ?       30.473  7.9112  0.000000       7.911162  
1 1 1 -6  63  29 o 49.051  6.4156  1473.44    332.674  0.0000     0.0000   1473.44    332.674  ?       ?       49.051  6.4156  0.000000       6.415570  
1 1 1 -6  64  1  o 138.717 3.0955  10429.75   465.087  10227.01   660.520  10629.10   654.979  137.300 4.4417  139.980 4.3201  -2.679749      6.196074  
1 1 1 -6  64  2  o 42.489  2.0722  978.029    95.360   986.050    99.688   891.626    327.175  42.606  2.1674  39.778  7.8726  2.828625       8.165525  
1 1 1 -6  64  3  o 41.158  4.1416  928.081    182.119  781.623    218.422  1262.15    329.880  37.538  5.5387  47.741  6.5524  -10.20370      8.579655  
1 1 1 -6  64  4  o 142.671 3.2705  11034.44   505.382  10478.02   737.471  11527.12   693.950  138.939 4.9006  145.761 4.3956  -6.822159      6.583100  
1 1 1 -6  64  5  o 102.495 2.8782  5693.85    319.520  5669.25    453.456  5718.11    450.299  102.231 4.0953  102.672 4.0493  -0.4415359     5.759159  
1 1 1 -6  64  6  o 69.063  2.9002  2585.31    216.940  2422.26    312.253  2737.45    301.622  66.672  4.3479  70.930  3.9417  -4.258286      5.868628  
1 1 1 -6  64  7  o 290.655 5.2223  45892.33   1644.02  47302.08   2326.39  44485.96   2323.60  294.654 7.2896  285.695 7.5091  8.958099       10.46538  
1 1 1 -6  64  8  o 22.889  6.0323  295.267    151.655  151.456    248.040  381.124    191.651  20.536  7.9060  25.976  6.7503  -5.439409      10.39576  
1 1 1 -6  64  9  o 122.197 4.3706  8108.16    578.461  7821.29    832.050  8376.52    804.768  119.658 6.4438  124.058 5.9893  -4.399452      8.797374  
1 1 1 -6  64  10 o 67.852  4.2361  2510.10    309.760  2273.40    437.996  2746.96    438.137  64.272  6.3760  70.801  5.7635  -6.528885      8.594835  
1 1 1 -6  64  11 o 139.228 4.5135  10537.07   680.632  10706.77   961.986  10366.96   963.134  140.090 6.3400  137.831 6.4516  2.258987       9.045403  
1 1 1 -6  64  12 o 199.723 3.9256  21673.68   849.194  21201.62   1198.70  22149.29   1203.19  197.196 5.6123  201.579 5.5109  -4.383255      7.865613  
1 1 1 -6  64  13 o 160.809 3.4672  14046.69   603.885  14462.19   855.248  13633.56   852.803  162.936 4.8462  158.174 4.9779  4.762268       6.947316  
1 1 1 -6  64  14 o 86.254  3.0303  4039.87    283.094  4023.47    402.064  4055.99    398.668  85.850  4.3381  86.312  4.2645  -0.4623413     6.083173  
1 1 1 -6  64  15 o 118.168 3.0829  7586.19    394.576  7255.72    560.409  7911.08    555.651  115.361 4.4851  120.499 4.2575  -5.137230      6.184030  
1 1 1 -6  64  16 o 59.845  3.6075  1955.96    232.738  1712.95    353.599  2141.72    309.145  55.565  5.9690  62.474  4.6011  -6.909737      7.536517  
1 1 1 -6  64  17 o 56.512  2.4825  1734.09    151.950  1876.31    308.467  1688.53    174.603  58.355  4.9265  55.662  2.9063  2.693104       5.719868  
1 1 1 -6  64  18 o 95.553  2.9196  4965.29    302.162  4997.21    467.434  4942.38    396.031  95.582  4.5152  95.187  3.8413  0.3952179      5.928102  
1 1 1 -6  64  19 o 68.272  3.5221  2548.29    259.554  2848.13    405.012  2339.33    338.110  71.789  5.2451  65.131  4.8273  6.658447       7.128412  
1 1 1 -6  64  20 o 142.626 3.4804  11102.92   537.649  11752.85   783.683  10525.01   738.986  146.159 4.9505  138.321 4.9326  7.837479       6.988397  
1 1 1 -6  64  21 o 43.292  2.3053  1021.89    107.707  695.351    388.960  1049.01    112.091  34.139  9.9253  43.856  2.3685  -9.717533      10.20404  
1 1 1 -6  64  22 o 24.340  7.3008  340.783    207.767  -64.7057   424.916  468.189    238.182  21.307  9.4046  28.212  7.6168  -6.905008      12.10217  
1 1 1 -6  64  23 f 62.154  4.0183  2133.80    269.066  2369.49    528.907  2051.51    312.528  63.869  7.8083  60.689  4.7936  3.180397       9.162340  
1 1 1 -6  64  24 o 80.802  3.4770  3588.73    304.291  3478.39    616.814  3624.23    349.823  77.234  7.4667  81.012  3.9868  -3.777992      8.464396  
1 1 1 -6  64  25 f 72.563  3.6784  2923.17    288.152  3201.86    586.035  2834.31    330.918  73.243  7.4928  71.122  4.3163  2.121643       8.647092  
1 1 1 -6  64  26 o 66.529  3.9440  2478.79    282.924  2644.26    573.162  2425.48    325.321  65.250  8.2979  65.407  4.6219  -0.1574936     9.498232  
1 1 1 -6  64  27 o 36.925  6.2770  820.148    242.052  674.942    498.183  865.020    276.938  31.047  11.357  37.456  7.0859  -6.409552      13.38596  
1 1 1 -6  64  28 o 21.767  8.1171  271.470    256.650  0.0000     0.0000   271.470    256.650  ?       ?       21.767  8.1171  0.000000       8.117146  
1 1 1 -6  64  29 o 22.387  8.5971  293.590    292.815  0.0000     0.0000   293.590    292.815  ?       ?       22.387  8.5971  0.000000       8.597103  
1 1 1 -6  65  1  o 178.178 4.2471  17222.70   819.629  16302.91   1427.95  17674.64   1000.94  173.024 7.6197  180.430 5.1219  -7.406448      9.181132  
1 1 1 -6  65  2  o 318.604 7.9219  55306.53   2733.69  55305.96   3866.81  55307.09   3865.23  317.632 11.240  317.636 11.235  -0.4852295E-02 15.89213  
1 1 1 -6  65  3  o 315.723 5.5536  54147.69   1899.11  55765.63   2686.60  52531.79   2684.90  319.943 7.7528  310.472 7.9843  9.470978       11.12902  
1 1 1 -6  65  4  o 166.491 3.4674  15030.04   625.273  14847.20   884.566  15212.63   883.973  165.371 4.9386  167.399 4.8755  -2.028030      6.939716  
1 1 1 -6  65  5  o 23.857  1.3565  309.277    34.907   263.902    204.438  310.640    35.427   22.441  7.3203  23.908  1.3739  -1.466999      7.448148  
1 1 1 -6  65  6  o 127.402 3.0473  8799.52    420.494  8926.77    597.335  8674.51    592.037  128.252 4.3001  126.425 4.3236  1.826614       6.097923  
1 1 1 -6  65  7  o 282.793 5.0257  43445.77   1539.35  44955.06   2178.52  41940.80   2175.41  287.237 7.0025  277.382 7.2409  9.855377       10.07301  
1 1 1 -6  65  8  o 183.192 5.2091  18242.30   1033.56  17699.51   1463.82  18781.93   1459.55  180.085 7.5048  185.555 7.2623  -5.470444      10.44337  
1 1 1 -6  65  9  o 345.128 8.5289  65239.94   3188.17  64385.45   4509.95  66093.52   4507.55  340.850 12.216  345.450 12.047  -4.599854      17.15724  
1 1 1 -6  65  10 o 142.218 4.5995  10994.55   708.494  10768.63   1012.38  11211.41   991.863  140.463 6.6544  143.365 6.3876  -2.902527      9.224030  
1 1 1 -6  65  11 o 182.094 3.7214  18007.46   733.955  17629.88   1040.67  18381.15   1035.29  179.907 5.3406  183.727 5.2026  -3.820251      7.455812  
1 1 1 -6  65  12 o 190.370 3.7825  19692.86   779.914  18598.44   1100.25  20798.15   1105.70  184.658 5.5011  195.340 5.2261  -10.68279      7.587787  
1 1 1 -6  65  13 f 137.552 3.2274  10275.84   480.821  10627.94   685.051  9933.98    675.028  139.696 4.5276  135.043 4.6151  4.652481       6.465153  
1 1 1 -6  65  14 o 27.204  6.0769  421.129    174.539  446.658    254.046  398.306    240.207  28.077  7.9783  26.627  7.8166  1.450310       11.16929  
1 1 1 -6  65  15 o 81.074  3.1919  3572.38    280.290  4030.61    416.542  3193.22    378.906  85.852  4.4952  76.369  4.6023  9.482857       6.433409  
1 1 1 -6  65  16 o 82.525  3.0883  3702.12    276.040  3470.76    394.289  3924.52    386.583  79.594  4.5932  84.831  4.2075  -5.236923      6.228988  
1 1 1 -6  65  17 o 61.670  3.4625  2077.36    230.340  1995.35    335.815  2150.23    316.540  60.110  5.2096  62.523  4.7089  -2.412910      7.022344  
1 1 1 -6  65  18 o 86.511  3.0785  4072.78    288.455  4134.22    412.195  4013.81    403.807  86.836  4.3970  85.565  4.3718  1.271088       6.200487  
1 1 1 -6  65  19 o 102.530 3.1504  5726.33    349.854  5819.22    568.661  5669.77    443.779  102.873 5.1037  101.835 4.0234  1.037575       6.498882  
1 1 1 -6  65  20 o 48.242  5.0301  1295.33    258.967  1578.37    406.299  1101.67    336.081  52.577  7.3345  43.769  7.3499  8.807823       10.38348  
1 1 1 -6  65  21 o 43.830  5.5208  1080.71    256.274  1208.20    404.975  995.564    330.973  45.310  8.5660  41.350  7.6725  3.959736       11.49972  
1 1 1 -6  65  22 o 24.011  7.4912  328.284    215.992  652.833    515.351  259.127    237.894  33.520  11.625  22.384  7.8898  11.13659       14.04962  
1 1 1 -6  65  23 o 124.557 3.3037  8498.12    445.693  8521.50    894.886  8490.41    513.974  122.365 6.7786  124.265 3.8188  -1.899765      7.780258  
1 1 1 -6  65  24 o 39.709  5.5683  904.789    232.900  564.908    476.350  1011.56    266.988  30.780  11.128  41.814  6.0728  -11.03362      12.67761  
1 1 1 -6  65  25 o 83.000  3.3277  3805.34    299.152  3150.99    542.987  4090.52    358.461  72.910  6.9605  85.764  3.8589  -12.85408      7.958627  
1 1 1 -6  65  26 o 51.151  4.6389  1489.10    254.208  1646.32    522.580  1440.36    290.953  49.782  10.038  49.832  5.4812  -0.5065536E-01 11.43746  
1 1 1 -6  65  27 o 37.881  6.1585  861.121    244.001  1153.93    502.032  770.563    279.195  39.853  11.178  34.939  7.5946  4.914543       13.51359  
1 1 1 -6  65  28 o 36.796  8.1916  887.104    318.078  0.0000     0.0000   887.104    318.078  ?       ?       36.796  8.1916  0.000000       8.191642  
1 1 1 -6  65  29 o 17.327  7.6861  3.8150     287.271  0.0000     0.0000   3.8150     287.271  ?       ?       17.327  7.6861  0.000000       7.686132  
1 1 1 -6  66  1  o 75.686  4.2461  3117.78    346.669  3264.73    486.634  2966.37    493.975  77.285  5.8570  73.598  6.2562  3.687935       8.569958  
1 1 1 -6  66  2  o 92.844  3.2940  4673.49    331.243  4957.00    405.283  4103.06    574.883  95.596  3.9143  86.653  6.1655  8.942894       7.303090  
1 1 1 -6  66  3  o 170.626 3.5251  15787.53   651.458  15458.74   924.031  16112.46   918.595  168.720 5.0565  172.263 4.9234  -3.542816      7.057458  
1 1 1 -6  66  4  o 148.013 3.2601  11878.40   522.637  11433.94   738.927  12323.33   739.313  145.124 4.7010  150.675 4.5302  -5.551880      6.528575  
1 1 1 -6  66  5  o 90.298  2.9158  4420.09    285.170  4334.32    410.434  4500.13    396.509  89.367  4.2403  91.070  4.0198  -1.703186      5.842873  
1 1 1 -6  66  6  o 92.354  2.9408  4624.08    294.166  4555.31    415.394  4693.27    416.635  91.613  4.1863  92.992  4.1366  -1.379341      5.885290  
1 1 1 -6  66  7  o 225.563 6.0047  27691.33   1466.99  27320.12   2078.77  28059.61   2070.54  223.464 8.5887  226.508 8.4398  -3.043640      12.04142  
1 1 1 -6  66  8  o 154.357 4.7205  12947.54   789.198  13525.84   1128.76  12394.48   1103.85  157.506 6.6166  150.752 6.7604  6.753357       9.459535  
1 1 1 -6  66  9  o 94.063  4.1809  4806.04    425.947  4786.43    622.315  4823.32    584.246  93.504  6.1797  93.930  5.7707  -0.4259491     8.455170  
1 1 1 -6  66  10 o 100.805 2.9397  5512.35    320.964  5583.96    453.937  5440.75    453.885  101.374 4.1343  100.061 4.1880  1.312798       5.884871  
1 1 1 -6  66  11 o 99.139  2.9688  5333.25    318.783  5061.81    446.363  5615.82    455.428  96.481  4.2715  101.637 4.1371  -5.155647      5.946529  
1 1 1 -6  66  12 o 76.296  3.0720  3160.12    253.861  3029.99    360.807  3287.69    357.245  74.471  4.4942  77.617  4.2659  -3.145668      6.196459  
1 1 1 -6  66  13 o 129.010 3.2108  9040.79    448.647  9375.98    642.209  8721.26    627.029  131.186 4.5198  126.513 4.5760  4.672653       6.431803  
1 1 1 -6  66  14 o 60.733  3.4190  2011.56    223.988  2025.00    326.233  1999.57    308.080  60.696  5.0072  60.355  4.7512  0.3402443      6.902587  
1 1 1 -6  66  15 o 108.047 2.9916  6342.97    350.092  6127.60    511.204  6533.20    480.437  105.986 4.4532  109.506 4.0507  -3.520012      6.019928  
1 1 1 -6  66  16 o 74.023  3.2269  2980.40    258.715  2911.86    378.721  3040.37    354.260  72.815  4.8295  74.496  4.4102  -1.680748      6.540143  
1 1 1 -6  66  17 o 52.339  3.7708  1501.10    212.327  1446.67    310.447  1548.93    291.043  50.985  5.7204  52.909  5.1438  -1.923103      7.692992  
1 1 1 -6  66  18 o 60.400  3.5336  1995.54    230.158  2166.34    337.554  1847.14    314.640  62.635  5.0179  57.792  5.0781  4.842522       7.139082  
1 1 1 -6  66  19 o 59.301  3.9714  1931.36    253.607  2388.68    399.095  1621.62    328.448  65.532  5.6789  53.896  5.7137  11.63620       8.055827  
1 1 1 -6  66  20 o 71.349  3.8332  2793.54    295.137  2909.91    446.368  2703.14    393.404  72.243  5.7523  69.784  5.2432  2.458511       7.783317  
1 1 1 -6  66  21 o 27.841  7.6233  454.164    236.615  440.914    369.749  463.354    307.921  28.372  9.8465  28.342  8.9595  0.2950287E-01  13.31265  
1 1 1 -6  66  22 o 34.685  5.9928  690.071    216.991  322.851    444.817  804.748    248.574  27.082  10.542  37.400  6.3644  -10.31740      12.31422  
1 1 1 -6  66  23 o 63.329  3.8526  2215.55    263.002  2419.22    533.718  2150.24    302.246  64.305  7.8242  62.155  4.5207  2.150459       9.036287  
1 1 1 -6  66  24 o 50.061  4.5997  1410.28    246.615  1127.82    500.749  1500.73    283.362  41.306  10.998  51.411  5.1583  -10.10583      12.14718  
1 1 1 -6  66  25 o 44.836  5.2867  1158.58    251.793  1294.41    497.578  1111.82    291.929  43.794  10.603  43.315  6.4167  0.4788437      12.39376  
1 1 1 -6  66  26 f 24.778  7.6779  380.140    227.329  321.887    469.721  397.958    259.779  25.685  10.543  25.304  8.2518  0.3816662      13.38863  
1 1 1 -6  66  27 o 19.089  7.5187  166.890    228.484  246.107    470.960  142.506    261.294  24.234  10.294  19.264  7.8805  4.970024       12.96407  
1 1 1 -6  66  28 o 27.026  8.9609  491.626    305.883  0.0000     0.0000   491.626    305.883  ?       ?       27.026  8.9609  0.000000       8.960949  
1 1 1 -6  66  29 o 47.937  7.2706  1451.52    365.648  0.0000     0.0000   1451.52    365.648  ?       ?       47.937  7.2706  0.000000       7.270551  
1 1 1 -6  67  1  o 193.944 5.4200  20438.87   1138.53  21016.27   1610.25  19861.63   1610.01  196.351 7.5716  190.844 7.7889  5.506302       10.86265  
1 1 1 -6  67  2  o 73.697  2.9136  2944.20    232.566  2832.60    323.641  3063.35    334.421  72.130  4.1603  75.023  4.1315  -2.892281      5.863214  
1 1 1 -6  67  3  o 61.507  2.9721  2050.93    197.995  1857.73    287.967  2224.16    272.673  58.316  4.5964  63.904  3.9590  -5.588097      6.066377  
1 1 1 -6  67  4  o 161.103 3.4044  14075.87   594.046  14281.97   841.698  13871.32   838.526  162.164 4.7922  159.811 4.8444  2.353363       6.814186  
1 1 1 -6  67  5  o 27.278  5.1757  417.734    147.322  568.198    209.256  269.862    207.445  31.757  6.3060  22.652  7.3732  9.105820       9.702083  
1 1 1 -6  67  6  o 214.758 5.7531  25094.28   1338.20  25829.78   1903.87  24376.10   1881.32  217.387 8.0860  211.147 8.2264  6.239716       11.53502  
1 1 1 -6  67  7  o 85.820  4.1370  3999.18    384.544  3739.42    575.379  4208.87    516.955  82.577  6.4853  87.787  5.4640  -5.210182      8.480270  
1 1 1 -6  67  8  o 201.975 5.5624  22209.18   1216.84  21502.36   1723.60  22911.55   1718.15  198.169 8.0302  204.636 7.7519  -6.466827      11.16140  
1 1 1 -6  67  9  o 282.722 5.3987  43527.79   1653.17  42734.89   2182.34  44595.47   2532.41  279.532 7.2081  285.141 8.1998  -5.609283      10.91759  
1 1 1 -6  67  10 o 76.277  3.0178  3157.06    249.316  2938.21    358.970  3361.01    346.530  73.355  4.5404  78.532  4.0882  -5.176544      6.109702  
1 1 1 -6  67  11 o 253.315 4.6554  34936.31   1277.28  34806.67   1806.35  35065.95   1806.35  252.164 6.6138  253.111 6.5890  -0.9475403     9.335804  
1 1 1 -6  67  12 o 206.749 4.0027  23252.56   896.318  23387.01   1266.08  23117.46   1269.10  206.887 5.6501  205.676 5.6969  1.210876       8.023638  
1 1 1 -6  67  13 o 219.689 4.1540  26278.83   988.433  25568.42   1398.13  26988.69   1397.58  216.078 5.9740  222.064 5.8107  -5.986618      8.333852  
1 1 1 -6  67  14 o 162.752 3.4784  14404.95   613.167  14327.21   868.606  14482.18   865.699  161.966 4.9514  162.851 4.9080  -0.8855896     6.971737  
1 1 1 -6  67  15 o 23.861  6.6396  322.876    177.874  309.412    267.910  333.489    237.864  24.509  8.3878  24.721  7.8810  -0.2117939     11.50934  
1 1 1 -6  67  16 o 77.317  2.6910  3247.86    225.349  3336.40    389.610  3203.35    276.246  77.983  4.6335  76.720  3.3244  1.262962       5.702756  
1 1 1 -6  67  17 f 49.603  3.9613  1351.19    211.048  1429.28    312.550  1285.74    286.130  50.639  5.8033  48.043  5.6040  2.595692       8.067456  
1 1 1 -6  67  18 o 58.713  3.7949  1889.70    240.035  1877.14    378.388  1898.16    310.509  57.962  6.1199  58.601  4.9382  -0.6389503     7.863766  
1 1 1 -6  67  19 o 58.497  4.4951  1888.16    282.624  1804.46    455.117  1940.70    360.574  56.195  7.6784  58.979  5.7163  -2.783772      9.572592  
1 1 1 -6  67  20 o 48.680  4.9577  1319.39    257.749  1278.87    393.701  1349.78    340.982  46.917  8.0366  48.735  6.6321  -1.817295      10.41977  
1 1 1 -6  67  21 f 24.709  7.8482  345.573    236.056  152.532    364.746  484.697    309.647  22.886  9.3305  28.851  8.9642  -5.965473      12.93892  
1 1 1 -6  67  22 o 41.960  4.6105  983.965    206.082  420.985    460.487  1124.96    230.448  28.843  10.850  44.836  4.8212  -15.99314      11.87273  
1 1 1 -6  67  23 o 59.719  2.7382  1948.89    177.115  2902.51    533.369  1830.70    187.770  70.828  7.0462  57.750  3.0124  13.07822       7.663149  
1 1 1 -6  67  24 o 45.205  4.9587  1162.55    238.799  1251.96    489.047  1134.55    273.640  43.648  10.478  44.244  5.8541  -0.5957184     12.00203  
1 1 1 -6  67  25 o 65.089  3.9019  2368.21    273.807  1955.73    556.947  2499.67    314.429  54.954  9.7125  66.609  4.3828  -11.65543      10.65557  
1 1 1 -6  67  26 o 23.524  7.7038  337.546    226.338  378.755    470.049  325.107    258.248  26.413  10.656  23.392  8.2227  3.021290       13.45970  
1 1 1 -6  67  27 o 7.4795  2.9801  16.457     36.280   -37.8903   465.033  16.790     36.391   20.878  9.4758  7.5062  2.9866  13.37169       9.935278  
1 1 1 -6  67  28 o 36.750  8.2432  891.807    320.027  0.0000     0.0000   891.807    320.027  ?       ?       36.750  8.2432  0.000000       8.243164  
1 1 1 -6  68  1  o 37.553  4.4125  776.051    176.048  897.241    205.462  441.342    341.455  40.363  4.7934  28.939  9.4616  11.42439       10.60652  
1 1 1 -6  68  2  o 149.376 3.3870  12101.61   547.974  11474.28   804.907  12643.52   748.111  145.316 5.1140  152.595 4.5264  -7.279831      6.829479  
1 1 1 -6  68  3  o 122.934 3.1035  8194.86    413.239  8102.27    588.134  8285.15    580.753  122.156 4.4452  123.534 4.3404  -1.378456      6.212830  
1 1 1 -6  68  4  o 117.179 3.0150  7445.42    382.660  7479.61    542.833  7411.66    539.510  117.373 4.2700  116.840 4.2632  0.5339050      6.033897  
1 1 1 -6  68  5  o 112.753 4.2229  6903.00    515.713  6607.26    732.691  7193.37    726.011  109.976 6.1761  114.813 5.8577  -4.837135      8.512176  
1 1 1 -6  68  6  o 54.627  4.3451  1631.09    254.962  1841.35    384.361  1465.87    340.713  57.802  6.2382  51.499  6.2353  6.303307       8.820144  
1 1 1 -6  68  7  o 109.419 4.1129  6502.61    487.432  6647.21    700.321  6366.75    678.846  110.308 5.8829  107.958 5.8272  2.349876       8.280387  
1 1 1 -6  68  8  o 177.097 3.6476  17027.57   699.661  16944.98   993.175  17108.93   985.806  176.439 5.1971  177.301 5.1335  -0.8624878     7.304958  
1 1 1 -6  68  9  o 263.291 4.7867  37724.15   1365.03  37348.71   1931.70  38098.61   1929.20  261.326 6.8248  263.965 6.7478  -2.639374      9.597390  
1 1 1 -6  68  10 o 66.264  3.0428  2383.15    218.386  2217.09    309.126  2548.60    308.564  63.673  4.5116  68.332  4.1894  -4.659050      6.156801  
1 1 1 -6  68  11 o 100.083 2.9368  5437.08    318.351  5156.70    446.814  5726.17    453.697  97.346  4.2378  102.598 4.0828  -5.252121      5.884536  
1 1 1 -6  68  12 o 78.262  2.9792  3325.75    252.531  3098.29    352.655  3565.13    361.784  75.303  4.3423  80.824  4.1467  -5.521683      6.004181  
1 1 1 -6  68  13 o 139.655 3.2570  10599.34   492.659  10308.23   697.983  10888.36   695.473  137.466 4.6879  141.312 4.5439  -3.846207      6.528686  
1 1 1 -6  68  14 o 112.542 3.0961  6883.23    377.396  6910.13    541.647  6857.84    526.128  112.553 4.4431  112.146 4.3315  0.4066849      6.205081  
1 1 1 -6  68  15 o 19.040  6.6491  178.897    168.733  -10.2277   246.826  344.819    231.190  17.174  7.3772  24.947  7.7448  -7.773649      10.69603  
1 1 1 -6  68  16 o 43.444  4.1666  1039.58    193.654  1289.44    277.965  803.921    269.948  48.177  5.4211  37.563  6.8890  10.61439       8.766275  
1 1 1 -6  68  17 f 71.570  3.2954  2789.60    255.454  2681.61    373.734  2884.29    349.969  69.751  4.9797  72.469  4.4807  -2.717796      6.698788  
1 1 1 -6  68  18 o 37.054  5.1662  769.143    201.696  1086.69    287.443  461.150    283.089  43.888  6.2211  28.370  8.5248  15.51820       10.55340  
1 1 1 -6  68  19 o 76.675  3.6064  3212.06    299.502  3233.27    433.329  3192.66    414.423  76.376  5.2705  75.959  5.0663  0.4172592      7.310703  
1 1 1 -6  68  20 o 97.013  3.5297  5146.39    370.882  4969.55    565.619  5279.77    491.227  94.514  5.5497  97.923  4.6316  -3.408867      7.228439  
1 1 1 -6  68  21 o 99.642  3.5431  5435.08    382.382  5762.64    585.949  5192.12    504.652  101.783 5.3337  96.954  4.8057  4.829468       7.179331  
1 1 1 -6  68  22 o 37.175  6.8455  805.848    265.473  385.756    447.960  1033.25    329.585  27.984  10.660  41.933  7.5336  -13.94917      13.05359  
1 1 1 -6  68  23 f 39.792  5.4103  905.141    227.134  1005.53    467.104  874.053    259.934  39.458  10.672  38.689  6.4286  0.7684326      12.45892  
1 1 1 -6  68  24 o 57.233  4.3132  1840.49    265.405  2050.19    522.993  1767.76    308.013  57.502  8.6665  55.651  5.1691  1.850838       10.09101  
1 1 1 -6  68  25 o 30.372  7.0578  566.146    227.754  574.577    469.790  563.556    260.401  29.883  11.014  29.943  7.9109  -0.5999756E-01 13.56023  
1 1 1 -6  68  26 o 38.464  6.2336  885.950    250.807  595.434    495.079  986.250    290.898  29.818  11.243  40.194  6.9324  -10.37605      13.20859  
1 1 1 -6  68  27 o 22.345  8.2606  290.560    264.658  0.0000     0.0000   290.560    264.658  ?       ?       22.345  8.2606  0.000000       8.260555  
1 1 1 -6  68  28 o 25.133  8.9078  411.080    303.651  0.0000     0.0000   411.080    303.651  ?       ?       25.133  8.9078  0.000000       8.907792  
1 1 1 -6  69  1  o 222.781 4.1551  26944.19   1002.59  28026.49   1419.58  25867.06   1416.19  226.951 5.7751  217.992 5.9981  8.959167       8.326360  
1 1 1 -6  69  2  f 65.820  2.9725  2349.17    211.913  2319.03    295.887  2380.91    303.644  65.220  4.2112  66.082  4.2652  -0.8624496     5.993800  
1 1 1 -6  69  3  o 133.588 3.1324  9678.51    453.230  9165.58    641.458  10189.87   640.471  129.893 4.5594  136.981 4.3169  -7.087769      6.278833  
1 1 1 -6  69  4  o 102.068 4.0711  5656.38    450.060  5600.78    652.601  5706.81    621.499  101.241 5.9780  102.249 5.6337  -1.007759      8.214269  
1 1 1 -6  69  5  o 162.323 4.8060  14323.45   844.963  14955.49   1204.36  13710.76   1185.77  165.568 6.7160  158.495 6.9074  7.073410       9.634164  
1 1 1 -6  69  6  o 56.959  4.2841  1772.51    262.361  1747.19    395.214  1792.46    350.811  56.206  6.6188  57.082  5.7526  -0.8757706     8.769347  
1 1 1 -6  69  7  o 126.348 3.0981  8661.07    423.965  8641.58    607.942  8679.53    591.547  126.083 4.4518  126.373 4.3218  -0.2902298     6.204542  
1 1 1 -6  69  8  o 55.589  3.2745  1683.07    196.285  1676.26    282.542  1689.41    272.887  55.301  4.7636  55.545  4.5767  -0.2432442     6.605940  
1 1 1 -6  69  9  o 143.860 3.2917  11236.15   512.901  11181.46   729.986  11289.47   720.804  143.322 4.7025  144.025 4.6207  -0.7032623     6.592762  
1 1 1 -6  69  10 o 135.816 3.1897  10016.05   469.213  9368.68    666.648  10651.59   660.529  131.152 4.6930  139.898 4.3592  -8.746582      6.405260  
1 1 1 -6  69  11 o 78.161  3.0041  3316.99    254.314  3330.18    366.536  3304.74    353.145  78.086  4.3512  77.808  4.2061  0.2780609      6.051748  
1 1 1 -6  69  12 o 83.289  3.0235  3767.69    272.749  3763.34    388.067  3771.94    383.425  83.003  4.3316  83.107  4.2741  -0.1045685     6.085301  
1 1 1 -6  69  13 o 104.707 3.0204  5956.08    342.533  5607.59    486.158  6299.61    482.690  101.414 4.4260  107.534 4.1443  -6.120331      6.063371  
1 1 1 -6  69  14 o 95.858  3.0708  4994.47    318.823  5249.23    461.529  4761.93    440.942  98.093  4.3440  93.427  4.3575  4.666115       6.152898  
1 1 1 -6  69  15 o 74.214  3.1549  2995.78    253.599  2872.27    362.217  3114.54    355.173  72.339  4.6476  75.397  4.3680  -3.058083      6.378045  
1 1 1 -6  69  16 o 43.042  2.3577  1008.97    109.493  1245.21    308.899  975.028    117.096  47.132  6.2016  42.287  2.5688  4.845718       6.712530  
1 1 1 -6  69  17 o 21.550  6.8587  254.211    180.216  221.300    268.822  281.075    242.877  22.316  8.3103  23.266  7.9857  -0.9505253     11.52527  
1 1 1 -6  69  18 o 88.136  2.9497  4229.77    281.585  3993.48    459.351  4372.02    356.401  85.064  5.0078  89.471  3.6778  -4.406822      6.213217  
1 1 1 -6  69  19 f 89.157  3.4344  4340.81    331.652  4428.26    476.786  4258.84    461.634  89.527  4.9360  87.815  4.8727  1.712059       6.935934  
1 1 1 -6  69  20 o 58.649  4.5225  1904.27    285.064  2022.59    452.091  1826.18    367.279  59.520  7.1563  56.942  6.0477  2.577633       9.369521  
1 1 1 -6  69  21 o 31.614  2.2610  546.500    76.911   855.958    384.766  533.621    78.495   37.569  9.4613  31.227  2.3378  6.341513       9.745814  
1 1 1 -6  69  22 o 26.383  8.1519  408.689    256.474  725.157    436.595  241.936    316.921  34.201  10.647  23.246  8.9400  10.95464       13.90282  
1 1 1 -6  69  23 o 25.833  7.3427  401.363    215.147  -26.1161   444.482  532.166    245.870  21.616  9.5759  29.571  7.6267  -7.955505      12.24195  
1 1 1 -6  69  24 o 17.598  7.1400  102.434    212.321  133.989    441.292  92.929     242.196  23.112  9.8943  18.207  7.5323  4.905022       12.43514  
1 1 1 -6  69  25 o 36.851  6.0672  805.248    233.734  202.163    481.713  990.954    267.309  24.377  10.384  40.863  6.2374  -16.48596      12.11329  
1 1 1 -6  69  26 o 22.663  7.7109  309.783    226.402  -167.0499  468.703  454.902    258.569  19.902  9.2086  26.647  8.1771  -6.744688      12.31522  
1 1 1 -6  69  27 o 19.272  7.8775  148.666    260.841  0.0000     0.0000   148.666    260.841  ?       ?       19.272  7.8775  0.000000       7.877541  
1 1 1 -6  69  28 o 34.303  8.5658  790.413    317.290  0.0000     0.0000   790.413    317.290  ?       ?       34.303  8.5658  0.000000       8.565834  
1 1 1 -6  70  1  o 102.630 2.8663  5711.63    318.618  5937.49    450.121  5484.83    451.067  104.577 3.9740  100.500 4.1438  4.076393       5.741420  
1 1 1 -6  70  2  o 184.013 3.7073  18378.16   738.879  18098.70   1044.64  18657.93   1045.22  182.400 5.2878  185.208 5.2105  -2.808624      7.423592  
1 1 1 -6  70  3  o 225.958 5.9512  27812.65   1456.48  29245.00   2063.39  26390.26   2056.20  231.085 8.2440  219.392 8.6531  11.69252       11.95160  
1 1 1 -6  70  4  o 276.142 7.0332  41647.04   2103.56  42032.61   2978.44  41263.31   2971.35  276.251 9.9544  273.679 10.024  2.571899       14.12694  
1 1 1 -6  70  5  o 219.153 5.8800  26173.18   1395.70  25591.39   1976.39  26751.94   1971.25  215.986 8.4484  220.898 8.2391  -4.912384      11.80078  
1 1 1 -6  70  6  o 92.743  2.8554  4665.49    286.830  4861.50    418.254  4491.46    394.100  94.593  4.0824  90.927  4.0017  3.665497       5.716565  
1 1 1 -6  70  7  o 162.432 3.4607  14324.89   608.840  14586.96   862.740  14064.89   859.330  163.708 4.8656  160.740 4.9359  2.968018       6.930892  
1 1 1 -6  70  8  o 52.643  3.4123  1511.11    193.514  1636.63    290.224  1410.64    259.659  54.597  4.9621  50.681  4.7870  3.916161       6.894734  
1 1 1 -6  70  9  o 140.051 3.2325  10650.69   490.337  10580.62   701.856  10717.49   685.323  139.391 4.6488  140.313 4.5095  -0.9214783     6.476650  
1 1 1 -6  70  10 o 69.005  3.0908  2585.59    231.002  2503.94    334.855  2659.74    319.088  67.644  4.5977  69.778  4.2421  -2.134468      6.255790  
1 1 1 -6  70  11 o 73.984  2.9680  2972.29    237.829  2953.99    336.586  2990.54    336.098  73.532  4.2443  73.992  4.2113  -0.4599609     5.979004  
1 1 1 -6  70  12 o 111.155 3.0292  6711.53    364.693  6573.96    517.852  6846.88    513.679  109.832 4.3532  112.108 4.2304  -2.276176      6.070157  
1 1 1 -6  70  13 o 51.635  3.8558  1459.73    214.084  1318.91    327.175  1565.18    283.105  48.592  6.3699  53.294  4.9615  -4.702595      8.074183  
1 1 1 -6  70  14 o 21.272  6.8632  243.563    179.983  31.579     284.109  385.665    232.613  19.101  8.0479  26.133  7.6979  -7.032005      11.13669  
1 1 1 -6  70  15 o 60.371  2.0436  1977.55    133.629  2110.07    339.178  1953.19    145.388  61.851  5.1088  59.987  2.2377  1.863712       5.577353  
1 1 1 -6  70  16 o 60.177  3.5636  1980.52    231.236  2092.14    340.754  1885.25    314.817  61.534  5.1604  58.422  5.0241  3.111729       7.202169  
1 1 1 -6  70  17 o 43.725  4.3735  1056.92    204.349  969.404    301.304  1131.46    278.078  41.204  7.0019  44.910  5.8561  -3.705952      9.128040  
1 1 1 -6  70  18 o 15.252  6.6803  -39.8694   210.670  22.839     366.945  -70.7018   257.301  21.145  9.0365  16.466  7.2904  4.679434       11.61068  
1 1 1 -6  70  19 o 79.260  3.0546  3425.80    262.226  3348.14    493.736  3456.31    309.482  77.408  5.9341  79.506  3.5939  -2.098114      6.937568  
1 1 1 -6  70  20 o 61.468  4.2720  2086.57    282.644  2118.91    428.211  2061.61    376.249  61.155  6.5676  60.606  5.8027  0.5489464      8.763829  
1 1 1 -6  70  21 f 48.031  5.2615  1296.65    269.238  1898.26    425.194  893.970    347.862  57.514  6.9678  38.629  8.5412  18.88517       11.02281  
1 1 1 -6  70  22 o 41.803  6.2751  1010.05    275.344  745.752    469.855  1148.28    339.806  34.413  11.088  44.135  7.3684  -9.721439      13.31268  
1 1 1 -6  70  23 o 47.686  4.8342  1288.74    246.230  1402.01    572.016  1262.97    272.798  45.441  11.587  46.915  5.4713  -1.474274      12.81345  
1 1 1 -6  70  24 o 39.811  2.0275  866.962    87.137   833.862    472.138  868.129    88.660   34.912  11.100  39.831  2.0622  -4.919704      11.29041  
1 1 1 -6  70  25 o 32.243  2.6840  575.085    92.879   709.105    486.887  570.024    94.617   32.046  11.288  32.083  2.7494  -0.3634262E-01 11.61812  
1 1 1 -6  70  26 o 7.7348  2.9926  21.720     35.678   261.124    459.971  20.271     35.786   24.375  10.253  7.6592  2.9877  16.71557       10.67974  
1 1 1 -6  70  27 o 26.623  9.0470  471.478    311.656  0.0000     0.0000   471.478    311.656  ?       ?       26.623  9.0470  0.000000       9.046995  
1 1 1 -6  71  1  o 272.537 4.9187  40396.25   1451.92  39308.89   2054.44  41481.25   2052.19  268.236 7.0714  275.614 6.8746  -7.378418      9.862317  
1 1 1 -6  71  2  o 112.080 4.0762  6823.14    494.827  6897.18    707.562  6752.26    692.271  112.363 5.8340  111.184 5.7684  1.178932       8.204312  
1 1 1 -6  71  3  o 177.095 5.0535  17064.45   969.319  17349.31   1372.89  16781.30   1368.77  178.158 7.1148  175.194 7.2134  2.963257       10.13178  
1 1 1 -6  71  4  o 204.530 5.5939  22790.89   1239.20  23242.51   1752.95  22339.74   1752.05  205.947 7.8586  201.861 8.0135  4.086441       11.22379  
1 1 1 -6  71  5  o 150.682 3.3253  12323.62   542.704  12180.01   768.354  12466.59   766.648  149.628 4.7411  151.387 4.6756  -1.759491      6.658759  
1 1 1 -6  71  6  o 30.968  4.4429  532.090    144.751  626.974    208.605  443.978    201.024  33.401  5.9862  27.943  6.7236  5.457321       9.002324  
1 1 1 -6  71  7  o 33.722  4.3988  628.967    156.836  674.611    236.832  593.315    209.309  34.563  6.5666  32.427  6.1852  2.135616       9.020909  
1 1 1 -6  71  8  o 72.354  2.9419  2841.31    230.549  2847.57    331.864  2835.47    320.524  72.222  4.2614  72.087  4.1223  0.1352615      5.928975  
1 1 1 -6  71  9  o 31.155  4.9937  542.276    162.818  503.871    243.998  573.104    218.608  29.705  7.5636  31.772  6.5695  -2.066792      10.01834  
1 1 1 -6  71  10 o 150.272 3.3617  12270.58   547.147  11714.32   780.362  12808.46   767.367  146.545 4.9165  153.300 4.6216  -6.755203      6.747653  
1 1 1 -6  71  11 o 150.173 3.3562  12257.46   545.895  12037.39   775.491  12473.63   768.580  148.533 4.8204  151.230 4.6923  -2.697037      6.727081  
1 1 1 -6  71  12 o 92.350  3.0529  4633.85    305.367  4507.40    441.289  4750.04    422.999  90.909  4.4818  93.366  4.1829  -2.457245      6.130497  
1 1 1 -6  71  13 f 97.983  2.8969  5216.45    307.438  5627.93    470.292  4909.37    406.267  101.578 4.2746  94.921  3.9517  6.656708       5.821341  
1 1 1 -6  71  14 o 90.994  3.0273  4501.90    298.354  4512.01    424.839  4492.05    419.093  90.910  4.3146  90.717  4.2653  0.1929779      6.067008  
1 1 1 -6  71  15 o 142.594 3.2926  11068.52   508.527  10719.46   721.580  11412.95   716.775  139.934 4.7609  144.447 4.5814  -4.512894      6.607261  
1 1 1 -6  71  16 o 128.372 3.3619  8978.75    467.435  8771.00    679.882  9164.99    643.706  126.427 4.9650  129.357 4.5944  -2.930206      6.764600  
1 1 1 -6  71  17 o 123.124 3.2380  8262.28    431.808  8130.43    636.209  8374.90    587.975  121.664 4.8280  123.630 4.3910  -1.965836      6.526143  
1 1 1 -6  71  18 o 47.854  4.7293  1270.77    241.913  1210.09    349.612  1326.52    335.084  45.947  7.2669  48.383  6.5637  -2.435482      9.792351  
1 1 1 -6  71  19 o 15.204  6.7094  -52.6480   216.169  -150.4457  309.473  40.532     302.079  17.084  7.7446  19.544  8.2698  -2.459850      11.32995  
1 1 1 -6  71  20 o 45.729  1.9913  1136.30    98.627   944.877    382.319  1149.94    102.083  39.683  9.0903  45.998  2.0490  -6.314850      9.318378  
1 1 1 -6  71  21 o 50.541  5.2618  1436.67    283.812  1961.55    470.295  1136.02    355.930  58.042  7.6687  43.917  7.7669  14.12513       10.91483  
1 1 1 -6  71  22 o 41.092  6.4160  983.557    276.226  991.352    469.328  979.426    341.670  39.138  10.745  40.207  8.1252  -1.069405      13.47087  
1 1 1 -6  71  23 o 55.313  4.2087  1715.31    250.248  2271.47    516.806  1544.97    286.015  61.207  7.9861  52.045  5.1411  9.162109       9.497810  
1 1 1 -6  71  24 o 50.910  4.5309  1467.51    247.223  1035.78    506.844  1602.29    283.197  38.503  11.369  52.970  4.9951  -14.46684      12.41797  
1 1 1 -6  71  25 o 91.056  3.4339  4602.28    338.661  4114.53    684.814  4760.19    389.641  81.787  7.8262  92.280  3.8984  -10.49291      8.743382  
1 1 1 -6  71  26 o 41.853  5.4929  1030.70    242.986  624.004    502.312  1154.94    277.629  29.914  11.314  44.028  5.9764  -14.11396      12.79543  
1 1 1 -6  71  27 o 21.613  8.6150  235.425    303.311  0.0000     0.0000   235.425    303.311  ?       ?       21.613  8.6150  0.000000       8.614969  
1 1 1 -6  72  1  o 118.907 4.1588  7683.23    535.602  7484.65    764.561  7874.58    750.544  116.984 6.0549  120.190 5.7655  -3.205818      8.360780  
1 1 1 -6  72  2  o 143.453 4.5194  11190.12   702.201  10856.39   999.172  11515.82   987.062  140.982 6.5434  145.251 6.2742  -4.268509      9.065412  
1 1 1 -6  72  3  o 98.737  3.9099  5296.25    418.132  5351.72    591.864  5240.98    590.794  98.943  5.5452  97.903  5.5947  1.040367       7.877186  
1 1 1 -6  72  4  o 60.412  3.1000  1985.70    202.155  2073.01    282.382  1893.92    289.533  61.605  4.2582  58.830  4.5800  2.775841       6.253690  
1 1 1 -6  72  5  o 50.493  3.3187  1390.05    180.484  1414.49    265.029  1368.91    246.465  50.741  4.8827  49.949  4.6077  0.7920685      6.713575  
1 1 1 -6  72  6  o 36.107  3.9467  717.016    151.832  476.720    217.213  946.602    212.317  28.930  7.0066  41.418  4.8233  -12.48812      8.506220  
1 1 1 -6  72  7  o 55.787  3.2971  1695.94    198.336  1876.19    301.828  1558.96    263.118  58.493  4.8067  53.314  4.6017  5.178970       6.654273  
1 1 1 -6  72  8  o 193.252 3.8420  20306.71   804.181  20662.39   1139.20  19953.41   1135.38  194.554 5.4062  191.165 5.4836  3.388794       7.700377  
1 1 1 -6  72  9  f 163.903 3.4657  14599.87   615.245  14898.12   874.082  14307.01   866.149  165.281 4.8827  161.957 4.9377  3.324921       6.944157  
1 1 1 -6  72  10 o 18.569  6.3194  174.778    152.061  145.648    226.768  198.578    204.974  19.705  7.5660  20.484  7.3124  -0.7791996     10.52215  
1 1 1 -6  72  11 f 63.974  3.1521  2223.93    218.408  2310.47    317.742  2146.42    300.712  64.933  4.5466  62.588  4.4653  2.345497       6.372652  
1 1 1 -6  72  12 o 69.112  3.0678  2595.84    229.642  2630.43    323.209  2560.57    326.341  69.318  4.3266  68.370  4.4308  0.9482117      6.192828  
1 1 1 -6  72  13 o 162.540 3.4894  14380.18   614.291  14434.98   872.872  14326.41   864.664  162.429 4.9615  161.826 4.9332  0.6025543      6.996668  
1 1 1 -6  72  14 f 119.175 3.1265  7725.62    403.566  7890.89    573.404  7563.39    568.090  120.182 4.4050  117.649 4.4582  2.532814       6.267361  
1 1 1 -6  72  15 o 107.614 3.1914  6303.84    371.982  6204.22    544.408  6391.08    509.455  106.437 4.7224  108.119 4.3504  -1.682045      6.420818  
1 1 1 -6  72  16 o 100.936 3.1379  5548.18    343.043  5531.28    500.184  5563.19    471.371  100.463 4.5968  100.823 4.3165  -0.3600082     6.305754  
1 1 1 -6  72  17 o 35.859  5.3726  723.955    202.243  733.104    301.628  716.482    272.600  35.407  8.0477  35.150  7.3945  0.2569389      10.92907  
1 1 1 -6  72  18 o 53.073  4.1532  1553.49    236.837  1536.01    381.329  1564.47    302.186  51.948  6.9517  52.953  5.3418  -1.005482      8.767013  
1 1 1 -6  72  19 o 40.526  5.6216  927.765    240.111  805.874    345.595  1041.51    333.846  36.771  8.7957  42.343  7.5565  -5.572239      11.59588  
1 1 1 -6  72  20 o 33.940  6.8252  671.098    242.201  741.874    357.047  610.770    329.639  35.026  9.2678  31.919  9.0944  3.106401       12.98466  
1 1 1 -6  72  21 o 106.896 3.4739  6272.16    402.206  6228.29    594.053  6309.29    546.525  105.652 5.1913  106.601 4.7334  -0.9496613     7.025331  
1 1 1 -6  72  22 o 41.837  6.3094  1021.34    277.015  581.326    457.178  1276.60    348.217  30.776  10.928  46.418  7.1562  -15.64193      13.06244  
1 1 1 -6  72  23 o 62.156  3.9253  2155.59    262.903  1355.67    536.714  2408.11    301.559  44.729  11.125  65.534  4.2718  -20.80501      11.91677  
1 1 1 -6  72  24 o 58.341  4.1363  1912.82    259.677  2219.69    533.143  1817.38    297.329  59.646  8.4924  56.442  4.9126  3.204166       9.810950  
1 1 1 -6  72  25 o 31.903  6.8739  626.576    230.516  501.132    477.740  664.645    263.180  28.254  10.945  32.475  7.6144  -4.221090      13.33352  
1 1 1 -6  72  26 o 49.910  4.7348  1433.90    252.891  1542.54    521.759  1400.54    289.121  46.788  10.548  48.780  5.5722  -1.992687      11.92939  
1 1 1 -6  72  27 f 22.476  8.7444  278.806    305.935  0.0000     0.0000   278.806    305.935  ?       ?       22.476  8.7444  0.000000       8.744442  
1 1 1 -6  73  1  o 91.486  3.8745  4547.53    383.917  4540.36    552.347  4554.23    533.998  91.079  5.6267  91.252  5.4274  -0.1729584     7.817739  
1 1 1 -6  73  2  f 133.459 4.3681  9686.56    631.405  9437.35    899.428  9928.70    886.593  131.429 6.3184  134.853 6.0701  -3.423615      8.761703  
1 1 1 -6  73  3  o 152.740 3.3263  12666.03   550.281  12991.32   779.684  12343.17   776.755  154.503 4.6592  150.583 4.7625  3.920013       6.662587  
1 1 1 -6  73  4  o 115.813 2.9871  7278.96    374.689  7000.30    528.726  7560.09    531.062  113.446 4.3030  117.912 4.1583  -4.465714      5.983937  
1 1 1 -6  73  5  o 41.935  3.6870  962.859    165.763  1021.84    244.453  912.654    225.536  42.958  5.3713  40.582  5.2545  2.375675       7.513995  
1 1 1 -6  73  6  o 91.706  2.8899  4564.34    287.042  4735.16    412.349  4403.75    399.819  93.306  4.0802  89.979  4.1025  3.326576       5.786098  
1 1 1 -6  73  7  o 98.096  2.9117  5223.36    309.361  5359.87    444.477  5095.09    430.846  99.252  4.1347  96.772  4.1106  2.479897       5.830284  
1 1 1 -6  73  8  o 54.577  3.3582  1624.51    197.548  1620.13    296.535  1628.00    264.886  54.254  5.1064  54.480  4.5301  -0.2258224     6.826177  
1 1 1 -6  73  9  o 151.646 3.3448  12497.23   549.373  12343.01   778.179  12650.46   775.688  150.437 4.7759  152.316 4.7019  -1.878555      6.702005  
1 1 1 -6  73  10 o 152.455 3.3457  12634.00   552.452  12687.03   781.959  12581.14   780.612  152.491 4.7344  151.851 4.7462  0.6405029      6.703857  
1 1 1 -6  73  11 o 44.939  3.6926  1106.41    178.146  1044.14    253.180  1167.47    250.711  43.333  5.5198  45.935  5.1267  -2.601982      7.533300  
1 1 1 -6  73  12 o 19.911  6.4437  212.152    158.561  50.986     235.583  345.625    214.390  17.911  7.4209  24.824  7.4095  -6.913012      10.48669  
1 1 1 -6  73  13 o 36.891  4.6596  755.402    182.030  669.216    260.586  837.536    254.385  34.145  7.2691  38.518  6.3166  -4.372482      9.630151  
1 1 1 -6  73  14 o 125.994 3.2219  8639.33    439.672  8419.16    635.461  8841.52    608.964  124.026 4.7305  127.184 4.4207  -3.157829      6.474554  
1 1 1 -6  73  15 o 160.150 3.6395  13987.97   631.301  13779.99   859.312  14231.86   930.523  158.459 5.0068  160.890 5.3398  -2.431137      7.319999  
1 1 1 -6  73  16 o 109.288 3.1697  6507.33    375.198  6834.75    543.502  6209.23    518.594  111.665 4.4938  106.431 4.4987  5.233887       6.358664  
1 1 1 -6  73  17 o 120.763 3.2126  7952.26    420.210  8217.49    608.608  7710.64    580.894  122.324 4.5936  118.516 4.5253  3.808197       6.448238  
1 1 1 -6  73  18 o 97.605  3.4777  5206.26    367.653  5106.74    558.187  5282.51    488.611  95.918  5.3948  97.984  4.6040  -2.065918      7.092308  
1 1 1 -6  73  19 o 24.744  0.9379  331.815    25.136   -219.1189  390.521  334.107    25.188   18.730  8.5708  24.829  0.9366  -6.099554      8.621779  
1 1 1 -6  73  20 o 26.399  7.8630  407.880    241.623  -28.8405   362.905  755.627    323.835  20.064  8.7785  35.455  8.5355  -15.39066      12.24406  
1 1 1 -6  73  21 o 28.664  1.2536  445.839    38.919   148.762    367.665  449.206    39.139   22.488  9.2900  28.772  1.2559  -6.284508      9.374541  
1 1 1 -6  73  22 o 63.241  4.7881  2256.37    325.541  1979.00    579.588  2384.20    393.472  55.705  9.9724  64.495  5.6911  -8.789959      11.48207  
1 1 1 -6  73  23 o 34.750  2.2887  662.762    85.659   1196.53    454.967  643.146    87.219   42.711  10.010  34.213  2.3682  8.497650       10.28590  
1 1 1 -6  73  24 f 9.6442  3.6545  37.859     52.472   450.593    460.053  32.419     52.817   27.686  10.737  9.3994  3.6399  18.28686       11.33686  
1 1 1 -6  73  25 o 19.061  7.4167  169.461    220.109  -204.5358  460.757  280.047    250.546  19.447  9.0435  22.145  8.0609  -2.698328      12.11458  
1 1 1 -6  73  26 o 18.908  7.7503  135.906    253.359  0.0000     0.0000   135.906    253.359  ?       ?       18.908  7.7503  0.000000       7.750255  
1 1 1 -6  74  1  o 79.537  2.3746  3430.60    204.563  3624.77    264.534  3141.78    322.631  81.724  2.9885  75.924  3.9369  5.800415       4.942703  
1 1 1 -6  74  2  o 59.701  3.0499  1939.60    196.557  1904.56    273.864  1976.83    282.273  59.013  4.3146  60.122  4.3645  -1.108410      6.137145  
1 1 1 -6  74  3  o 40.760  3.5050  909.070    153.228  955.275    217.095  863.203    216.301  41.590  4.9143  39.460  5.1866  2.130363       7.144993  
1 1 1 -6  74  4  o 55.730  3.1733  1691.74    190.753  1445.06    266.519  1950.81    273.132  51.276  4.8568  59.732  4.2495  -8.455864      6.453456  
1 1 1 -6  74  5  o 67.473  2.9124  2471.04    212.842  2298.21    302.037  2641.52    299.982  64.841  4.3256  69.579  3.9974  -4.738525      5.889768  
1 1 1 -6  74  6  o 87.529  2.8545  4158.44    270.612  3938.17    384.276  4375.15    381.150  85.070  4.1706  89.690  3.9236  -4.620461      5.726102  
1 1 1 -6  74  7  o 71.935  2.9488  2809.52    229.749  2704.51    335.059  2902.71    315.637  70.330  4.4211  72.931  4.0113  -2.600845      5.969591  
1 1 1 -6  74  8  o 89.560  2.9416  4355.41    285.347  4215.31    404.382  4494.35    402.707  87.982  4.2436  90.865  4.0919  -2.882980      5.895028  
1 1 1 -6  74  9  o 90.814  2.9189  4478.81    287.109  4507.21    408.576  4451.09    403.537  90.973  4.1466  90.408  4.1211  0.5649872      5.846134  
1 1 1 -6  74  10 o 94.605  2.9711  4862.11    304.439  4940.70    438.249  4788.82    423.227  95.210  4.2498  93.747  4.1682  1.463524       5.952676  
1 1 1 -6  74  11 o 85.490  2.9857  3971.73    276.462  3981.96    398.522  3962.24    383.843  85.330  4.3262  85.249  4.1572  0.8097839E-01  5.999820  
1 1 1 -6  74  12 o 60.965  3.2119  2027.05    211.339  2126.53    300.221  1929.32    297.554  62.244  4.4832  59.237  4.6757  3.007534       6.477784  
1 1 1 -6  74  13 o 109.216 3.0636  6487.42    362.400  6368.83    514.513  6604.19    510.531  107.969 4.3997  109.970 4.2862  -2.001434      6.142445  
1 1 1 -6  74  14 o 36.272  4.5410  730.812    174.492  999.786    281.738  563.437    222.248  42.091  6.3800  31.322  6.7502  10.76902       9.288183  
1 1 1 -6  74  15 o 35.826  5.1100  718.797    192.663  801.881    282.842  646.876    263.154  37.339  7.2552  33.419  7.4593  3.919930       10.40571  
1 1 1 -6  74  16 o 70.017  3.5997  2683.39    272.061  2706.10    424.369  2667.54    354.496  69.773  5.6644  69.541  4.7347  0.2321091      7.382611  
1 1 1 -6  74  17 o 46.403  4.5745  1194.20    226.918  1022.45    354.658  1313.24    295.265  41.858  8.1157  48.368  5.7488  -6.509674      9.945530  
1 1 1 -6  74  18 o 108.218 3.3223  6396.34    389.413  6070.75    561.922  6697.19    540.150  104.889 4.9462  110.337 4.5198  -5.448029      6.700318  
1 1 1 -6  74  19 o 49.404  4.7782  1360.08    252.489  1775.06    385.604  1048.62    334.062  55.893  6.4904  42.407  7.5498  13.48605       9.956181  
1 1 1 -6  74  20 o 28.055  2.1881  430.984    65.962   849.597    375.919  417.685    67.002   37.227  9.3391  27.606  2.2607  9.620960       9.608794  
1 1 1 -6  74  21 o 16.394  7.1404  -12.2901   237.697  -201.6757  360.716  133.063    316.012  17.699  8.1496  20.997  8.6369  -3.298691      11.87483  
1 1 1 -6  74  22 o 23.738  1.7363  308.298    44.333   535.742    367.333  304.937    44.659   29.257  9.8225  23.604  1.7595  5.652618       9.978854  
1 1 1 -6  74  23 o 18.154  7.1800  131.447    209.174  -83.4998   405.153  209.563    244.243  19.773  8.9215  20.693  7.8742  -0.9205647     11.89944  
1 1 1 -6  74  24 o 41.833  5.3169  1015.71    235.463  912.867    471.184  1049.94    271.840  36.015  11.036  42.090  6.1440  -6.075298      12.63117  
1 1 1 -6  74  25 o 46.564  2.2807  1188.36    115.023  1260.80    508.162  1184.45    118.088  41.890  11.043  46.411  2.3569  -4.521503      11.29198  
1 1 1 -6  74  26 o 16.280  7.2010  -13.7587   250.405  0.0000     0.0000   -13.7587   250.405  ?       ?       16.280  7.2010  0.000000       7.200967  
1 1 1 -6  75  1  o 85.647  2.8135  3980.75    260.999  3775.59    365.477  4194.27    372.850  83.319  4.0499  87.829  3.9194  -4.510101      5.635938  
1 1 1 -6  75  2  f 92.292  2.8335  4622.63    283.244  4588.21    402.144  4656.51    399.009  91.848  4.0424  92.535  3.9811  -0.6870575     5.673672  
1 1 1 -6  75  3  o 213.419 4.0788  24776.54   942.839  23526.90   1334.17  26023.21   1332.58  207.453 5.9378  218.282 5.6364  -10.82956      8.186962  
1 1 1 -6  75  4  o 161.777 3.4699  14220.38   608.006  13864.42   863.409  14570.54   856.336  159.455 4.9993  163.501 4.8356  -4.046158      6.955285  
1 1 1 -6  75  5  o 89.300  2.8741  4328.77    277.985  4312.52    393.906  4344.90    392.360  89.025  4.0852  89.362  4.0538  -0.3368378     5.755159  
1 1 1 -6  75  6  o 138.067 3.1686  10354.08   473.834  10182.47   671.501  10524.26   668.711  136.706 4.5351  138.998 4.4418  -2.292618      6.348002  
1 1 1 -6  75  7  o 173.690 3.5823  16402.34   673.914  16407.90   957.885  16396.90   948.303  173.369 5.1012  173.324 5.0515  0.4473877E-01  7.179116  
1 1 1 -6  75  8  o 165.388 3.4877  14872.13   624.754  15076.22   886.891  14671.09   880.218  166.191 4.9271  163.935 4.9573  2.256088       6.989397  
1 1 1 -6  75  9  o 157.073 3.4060  13415.50   579.456  13349.58   824.143  13479.95   814.883  156.357 4.8665  157.139 4.7879  -0.7823944     6.826878  
1 1 1 -6  75  10 o 129.083 3.1065  9056.89    434.323  8942.50    615.330  9170.46    613.127  128.020 4.4377  129.657 4.3660  -1.637039      6.225373  
1 1 1 -6  75  11 o 52.457  3.4100  1503.51    192.692  1445.45    274.019  1560.31    271.021  51.164  5.0090  53.226  4.7512  -2.061405      6.903880  
1 1 1 -6  75  12 o 102.171 2.9876  5675.39    330.616  5473.66    468.142  5876.11    466.984  100.126 4.3168  103.772 4.1548  -3.646683      5.991427  
1 1 1 -6  75  13 o 106.063 3.1301  6121.00    359.584  5970.91    525.364  6253.30    493.214  104.460 4.6435  106.990 4.2562  -2.529861      6.298980  
1 1 1 -6  75  14 o 121.115 3.2076  7987.67    420.773  8485.25    615.987  7552.40    576.137  124.481 4.5688  117.450 4.5290  7.030518       6.433148  
1 1 1 -6  75  15 o 132.233 3.2790  9530.13    469.626  9406.04    679.828  9643.41    649.513  130.894 4.7952  132.635 4.5213  -1.741089      6.590601  
1 1 1 -6  75  16 o 55.717  3.8829  1705.86    232.861  1714.77    354.251  1699.09    308.999  55.316  6.0095  55.287  5.2221  0.2894592E-01  7.961395  
1 1 1 -6  75  17 o 48.601  1.8460  1282.39    97.172   586.687    368.068  1334.51    100.746  31.662  9.7628  49.577  1.8762  -17.91525      9.941457  
1 1 1 -6  75  18 o 31.506  6.3053  572.706    207.654  647.906    334.791  525.687    264.729  32.972  9.0843  29.876  8.0149  3.095358       12.11462  
1 1 1 -6  75  19 o 33.038  6.6894  635.897    231.163  452.919    342.365  789.206    313.382  28.217  9.4828  36.408  8.1502  -8.191143      12.50397  
1 1 1 -6  75  20 o 59.808  4.3661  1990.77    280.873  2147.00    417.289  1861.35    379.784  61.215  6.3878  57.025  6.2514  4.190083       8.937832  
1 1 1 -6  75  21 o 22.745  2.2852  285.137    55.534   519.575    420.286  280.971    56.026   29.369  10.472  22.569  2.3252  6.799696       10.72734  
1 1 1 -6  75  22 o 55.622  4.7395  1749.89    282.808  2047.53    426.675  1516.67    377.691  58.931  6.8101  50.451  7.1089  8.479794       9.844542  
1 1 1 -6  75  23 o 34.215  6.2808  697.801    224.179  385.777    437.599  808.829    261.034  26.592  10.427  36.613  6.8339  -10.02006      12.46694  
1 1 1 -6  75  24 o 32.155  6.6970  630.859    225.659  348.602    439.486  731.916    262.971  25.695  10.326  34.368  7.2904  -8.672985      12.64006  
1 1 1 -6  75  25 o 50.979  4.6259  1488.88    252.639  1238.70    508.028  1571.08    291.198  41.324  11.110  51.982  5.2438  -10.65722      12.28553  
1 1 1 -6  75  26 o 29.072  8.9886  567.410    311.769  0.0000     0.0000   567.410    311.769  ?       ?       29.072  8.9886  0.000000       8.988629  
1 1 1 -6  76  1  o 178.050 3.6126  17230.97   696.678  17220.29   985.471  17241.64   985.031  177.668 5.1211  177.779 5.1156  -0.1114502     7.238467  
1 1 1 -6  76  2  f 97.437  2.8635  5153.38    302.201  5051.52    428.912  5253.78    425.857  96.351  4.1100  98.273  4.0009  -1.922188      5.735794  
1 1 1 -6  76  3  o 177.564 3.6653  17140.32   704.908  16908.13   998.168  17371.32   995.619  176.005 5.2361  178.422 5.1520  -2.416672      7.345714  
1 1 1 -6  76  4  o 73.504  2.9109  2933.18    231.747  2910.25    335.253  2954.17    320.710  72.991  4.2592  73.573  4.0401  -0.5819931     5.870508  
1 1 1 -6  76  5  o 106.924 2.9493  6207.54    341.559  6356.19    481.042  6056.40    485.058  108.064 4.1099  105.466 4.2463  2.597092       5.909513  
1 1 1 -6  76  6  o 107.131 2.9456  6232.23    341.793  6152.89    485.446  6310.24    481.316  106.296 4.2165  107.659 4.1277  -1.362968      5.900572  
1 1 1 -6  76  7  o 115.145 3.0826  7202.60    384.438  7195.34    552.896  7209.40    534.906  114.894 4.4430  115.031 4.2933  -0.1367950     6.178409  
1 1 1 -6  76  8  o 116.503 3.0617  7374.57    386.341  7232.16    556.373  7507.19    536.886  115.162 4.4605  117.373 4.2232  -2.211342      6.142641  
1 1 1 -6  76  9  o 65.701  3.0694  2345.98    218.423  2344.12    313.179  2347.74    304.786  65.399  4.4477  65.472  4.3224  -0.7226563E-01 6.202016  
1 1 1 -6  76  10 o 65.324  3.0929  2319.76    218.827  2129.21    311.951  2504.37    307.045  62.263  4.6596  67.635  4.2123  -5.371990      6.281351  
1 1 1 -6  76  11 o 88.821  2.9505  4288.35    283.848  4039.04    402.696  4534.53    400.158  85.908  4.3419  91.185  4.0517  -5.277351      5.938738  
1 1 1 -6  76  12 o 119.945 3.1087  7826.03    403.860  7709.34    576.162  7938.74    566.254  118.763 4.4791  120.551 4.3368  -1.788719      6.234625  
1 1 1 -6  76  13 o 221.788 4.2293  26882.92   1015.95  27261.95   1441.64  26508.96   1431.95  222.336 5.9866  219.215 6.0310  3.121460       8.497761  
1 1 1 -6  76  14 f 89.232  3.1082  4335.72    300.398  4269.06    432.236  4397.99    417.786  88.158  4.5422  89.647  4.3028  -1.488724      6.256645  
1 1 1 -6  76  15 o 71.806  3.3680  2812.04    261.938  2564.72    395.391  3005.48    349.680  67.996  5.4136  73.929  4.3866  -5.933205      6.967737  
1 1 1 -6  76  16 o 133.694 3.2745  9751.84    474.161  9960.49    686.141  9561.12    656.003  134.586 4.7070  131.909 4.5916  2.677216       6.575566  
1 1 1 -6  76  17 o 138.909 3.4845  10545.04   524.248  11074.48   773.381  10094.93   713.083  141.654 5.0407  135.332 4.8649  6.322693       7.005415  
1 1 1 -6  76  18 o 60.038  4.1914  1990.61    270.849  1843.42    409.203  2105.37    361.326  56.883  6.7750  61.336  5.4973  -4.452442      8.724753  
1 1 1 -6  76  19 f 18.546  7.3585  119.005    220.340  15.898     327.857  203.936    297.559  19.704  8.4837  22.183  8.6258  -2.479099      12.09866  
1 1 1 -6  76  20 o 20.762  7.8657  199.731    243.039  63.674     405.572  275.965    303.586  22.015  9.4567  23.523  8.8172  -1.508162      12.92947  
1 1 1 -6  76  21 o 50.284  5.0352  1436.53    270.547  1098.03    402.518  1715.46    365.393  41.718  9.1592  54.289  6.3331  -12.57143      11.13550  
1 1 1 -6  76  22 o 66.975  4.2991  2516.16    310.218  2793.73    476.200  2311.51    408.884  69.158  6.4311  63.126  6.0545  6.031464       8.832647  
1 1 1 -6  76  23 o 51.170  4.4827  1482.97    245.935  1249.20    481.692  1565.40    286.024  42.999  10.446  52.241  5.1208  -9.241917      11.63368  
1 1 1 -6  76  24 o 39.807  5.8201  936.137    243.519  941.089    544.003  934.896    272.327  35.639  11.954  39.313  6.6316  -3.673672      13.66985  
1 1 1 -6  76  25 o 14.888  6.6173  -32.4759   213.948  -15.5515   418.513  -38.4636   248.934  20.296  9.1209  15.908  7.0996  4.387952       11.55830  
1 1 1 -6  77  1  o 138.693 3.1396  10447.45   471.628  10444.07   668.446  10450.80   665.530  138.466 4.4571  138.515 4.4361  -0.4841614E-01 6.288454  
1 1 1 -6  77  2  o 180.877 3.6340  17787.26   711.930  17049.50   1005.41  18529.19   1008.24  176.711 5.2530  184.276 5.0516  -7.565063      7.287837  
1 1 1 -6  77  3  o 103.701 2.8582  5838.14    321.029  6049.54    455.426  5629.35    452.596  105.439 3.9879  101.697 4.1090  3.742714       5.725997  
1 1 1 -6  77  4  o 112.054 2.9534  6818.08    358.437  7013.39    511.584  6629.75    502.356  113.498 4.1616  110.344 4.2033  3.153809       5.914970  
1 1 1 -6  77  5  f 38.508  3.9849  815.649    163.801  809.847    225.788  822.095    237.992  38.077  5.6459  38.313  5.9264  -0.2364731     8.185220  
1 1 1 -6  77  6  o 62.374  3.1150  2113.77    210.446  2115.41    301.961  2112.22    293.453  62.127  4.5184  62.101  4.3912  0.2648926E-01  6.300660  
1 1 1 -6  77  7  o 63.047  3.0154  2159.52    205.912  2251.79    296.406  2073.45    286.265  64.134  4.2918  61.526  4.3232  2.608292       6.091808  
1 1 1 -6  77  8  o 121.898 3.0712  8075.60    405.488  8181.69    583.246  7976.35    564.124  122.470 4.3970  120.941 4.3066  1.528870       6.154658  
1 1 1 -6  77  9  o 76.302  2.9793  3163.96    246.215  3301.15    352.844  3033.77    343.736  77.692  4.2088  74.457  4.2804  3.235092       6.002995  
1 1 1 -6  77  10 o 137.746 3.2312  10320.43   482.073  10370.58   687.307  10271.87   676.333  137.771 4.6060  137.127 4.5537  0.6435852      6.477008  
1 1 1 -6  77  11 o 94.072  2.8163  4809.52    286.949  4922.14    439.371  4725.77    378.922  94.947  4.2725  93.120  3.7570  1.827263       5.689354  
1 1 1 -6  77  12 o 93.951  2.9716  4801.06    302.386  4603.70    428.407  4997.02    426.872  91.780  4.3096  95.658  4.1201  -3.877754      5.962197  
1 1 1 -6  77  13 o 124.024 3.1589  8375.16    424.341  8390.00    615.698  8361.74    585.648  123.763 4.5931  123.619 4.3740  0.1434860      6.342600  
1 1 1 -6  77  14 o 107.188 3.0950  6257.46    359.318  6391.15    518.111  6133.58    498.747  108.006 4.4290  105.829 4.3512  2.177536       6.208751  
1 1 1 -6  77  15 o 177.620 3.6890  17238.16   709.685  17052.86   1017.99  17413.37   989.893  175.807 5.3461  177.779 5.1409  -1.972122      7.416821  
1 1 1 -6  77  16 o 38.261  5.4325  824.594    218.808  791.682    381.580  840.718    267.081  36.393  9.5576  38.285  6.6840  -1.891739      11.66296  
1 1 1 -6  77  17 o 85.533  3.4384  3998.75    318.539  4117.65    470.115  3897.83    433.120  86.196  5.0577  83.958  4.7827  2.238220       6.960934  
1 1 1 -6  77  18 o 16.100  6.9574  -9.6463    222.121  554.925    339.425  -432.5116  293.755  30.577  9.3664  13.667  6.5967  16.91071       11.45630  
1 1 1 -6  77  19 o 58.478  4.5107  1905.62    283.493  1923.85    456.848  1894.20    361.518  57.369  7.5345  57.752  5.8607  -0.3822861     9.545494  
1 1 1 -6  77  20 o 70.193  3.9885  2737.59    301.977  2586.92    465.781  2846.83    396.625  66.840  6.5168  70.967  5.1961  -4.127426      8.334793  
1 1 1 -6  77  21 o 55.801  2.5753  1704.29    155.648  1474.56    433.663  1738.25    166.759  48.941  8.4887  56.317  2.7339  -7.375343      8.918101  
1 1 1 -6  77  22 o 17.116  7.3636  25.776     246.589  -33.4301   373.585  71.485     328.255  19.624  8.7320  19.971  8.5411  -0.3473320     12.21465  
1 1 1 -6  77  23 o 26.896  7.3764  449.608    221.332  -178.8786  430.493  675.432    258.050  19.221  8.8693  33.002  7.4017  -13.78129      11.55205  
1 1 1 -6  77  24 o 45.228  5.2429  1188.32    252.069  1400.85    473.643  1104.34    297.734  45.584  9.8786  42.739  6.6479  2.844582       11.90720  
1 1 1 -6  77  25 o 64.931  2.7620  2324.72    194.243  1902.52    617.001  2371.17    204.649  51.337  11.394  65.524  2.8836  -14.18726      11.75320  
1 1 1 -6  78  1  o 85.224  2.8421  3943.33    262.345  3921.26    367.592  3966.25    374.529  84.879  3.9985  85.359  4.0510  -0.4798050     5.691975  
1 1 1 -6  78  2  o 50.616  3.1698  1397.29    172.900  1427.51    235.599  1362.03    254.532  51.013  4.3042  49.745  4.7831  1.267857       6.434609  
1 1 1 -6  78  3  o 124.829 3.0219  8463.54    408.576  8387.69    574.706  8541.06    580.972  124.086 4.2761  125.214 4.2838  -1.127998      6.052806  
1 1 1 -6  78  4  o 134.081 3.1486  9767.77    457.254  9628.92    647.101  9906.24    646.209  132.899 4.4955  134.813 4.4256  -1.914047      6.308357  
1 1 1 -6  78  5  o 137.047 3.1997  10207.04   474.958  10016.94   673.261  10395.37   670.135  135.515 4.5870  138.074 4.4811  -2.558655      6.412500  
1 1 1 -6  78  6  o 51.426  3.4163  1444.46    189.203  1600.19    271.909  1298.28    263.438  53.944  4.7008  48.478  5.0934  5.466816       6.931108  
1 1 1 -6  78  7  o 39.451  3.8206  855.314    161.208  1040.85    235.315  691.226    221.294  43.336  5.1118  35.004  6.0560  8.331593       7.925004  
1 1 1 -6  78  8  o 62.566  3.1153  2127.96    211.107  2039.29    307.503  2207.00    290.336  60.925  4.6962  63.475  4.2476  -2.549461      6.332170  
1 1 1 -6  78  9  o 60.638  3.2955  2006.09    215.629  1793.82    319.121  2184.43    292.506  57.000  5.2273  63.126  4.3039  -6.125706      6.771083  
1 1 1 -6  78  10 o 59.046  3.2583  1902.63    207.570  1848.65    296.945  1954.21    290.265  57.945  4.7739  59.635  4.5277  -1.689861      6.579537  
1 1 1 -6  78  11 o 106.506 3.0051  6169.74    346.661  6090.42    491.903  6247.99    488.619  105.580 4.3016  106.955 4.2179  -1.375198      6.024489  
1 1 1 -6  78  12 o 82.945  3.1002  3744.48    278.513  3885.14    411.633  3625.73    378.236  84.131  4.5341  81.319  4.3097  2.812027       6.255537  
1 1 1 -6  78  13 o 31.574  5.9925  568.222    197.434  471.308    318.829  628.501    251.447  28.885  9.1153  32.967  7.2401  -4.082481      11.64079  
1 1 1 -6  78  14 o 71.798  2.7294  2804.65    212.248  3155.58    390.691  2657.71    252.809  75.649  4.7930  69.811  3.3435  5.837761       5.843967  
1 1 1 -6  78  15 o 50.126  4.2176  1386.78    226.856  1309.70    367.284  1434.32    288.457  47.812  7.3259  50.706  5.3322  -2.894272      9.060975  
1 1 1 -6  78  16 o 33.959  5.8345  656.850    206.865  331.059    339.628  849.003    260.831  25.802  9.3862  38.525  6.4811  -12.72301      11.40636  
1 1 1 -6  78  17 o 113.433 3.2964  7032.19    404.999  6876.71    592.818  7168.27    554.599  111.556 4.9064  114.082 4.4884  -2.526230      6.649663  
1 1 1 -6  78  18 o 76.718  3.7025  3231.50    307.650  3302.94    463.577  3175.28    411.271  76.697  5.6196  75.446  5.0623  1.251595       7.563510  
1 1 1 -6  78  19 o 16.325  7.0370  3.6269     226.088  -6.3286    348.781  10.842     296.918  19.765  8.6279  18.614  8.0438  1.151308       11.79591  
1 1 1 -6  78  20 o 16.351  6.8833  43.306     207.544  -96.9976   363.060  111.410    252.949  18.817  8.4719  18.994  7.7600  -0.1777058     11.48870  
1 1 1 -6  78  21 o 38.807  6.3376  887.367    257.186  1238.14    404.907  650.143    332.984  44.565  8.7008  31.955  9.1527  12.61051       12.62833  
1 1 1 -6  78  22 o 33.192  7.4053  677.622    259.455  439.717    388.362  869.400    348.687  27.162  10.013  36.870  8.8449  -9.708849      13.36029  
1 1 1 -6  78  23 o 12.753  5.9716  -171.4186  206.605  -259.9097  403.320  -139.9364  240.565  17.807  8.3399  14.382  6.6344  3.424520       10.65683  
1 1 1 -6  78  24 o 44.329  5.1313  1140.65    241.816  1015.72    473.587  1184.71    281.241  37.559  10.961  44.686  5.9593  -7.127640      12.47654  
1 1 1 -6  78  25 o 20.323  7.9940  197.826    257.964  0.0000     0.0000   197.826    257.964  ?       ?       20.323  7.9940  0.000000       7.993997  
1 1 1 -6  79  1  o 130.379 3.0527  9234.62    431.084  9435.16    611.247  9036.17    608.056  131.587 4.2888  128.761 4.3600  2.825577       6.115845  
1 1 1 -6  79  2  o 118.250 2.9850  7595.51    382.306  7401.70    537.428  7794.05    543.955  116.550 4.2573  119.609 4.1988  -3.059166      5.979568  
1 1 1 -6  79  3  o 106.512 2.9010  6161.73    334.665  6068.70    474.809  6253.57    471.780  105.544 4.1535  107.153 4.0650  -1.608986      5.811734  
1 1 1 -6  79  4  o 79.319  2.8733  3417.22    246.849  3334.30    344.699  3504.52    353.668  78.128  4.0877  80.102  4.0901  -1.974220      5.782520  
1 1 1 -6  79  5  o 52.964  3.3930  1531.79    193.618  1510.61    275.753  1552.39    271.923  52.357  4.9204  53.108  4.7785  -0.7508965     6.858852  
1 1 1 -6  79  6  o 94.721  2.9190  4874.51    299.466  4869.50    421.615  4879.61    425.430  94.521  4.1183  94.614  4.1515  -0.9317780E-01 5.847638  
1 1 1 -6  79  7  o 93.269  2.9222  4726.83    295.201  4807.33    426.870  4653.04    408.679  93.893  4.1975  92.391  4.0839  1.502068       5.856416  
1 1 1 -6  79  8  o 64.753  3.0595  2279.50    214.577  2214.21    310.327  2339.32    297.027  63.514  4.5410  65.351  4.2189  -1.836842      6.198355  
1 1 1 -6  79  9  o 99.489  3.0392  5381.92    327.499  5277.43    479.422  5473.33    448.436  98.283  4.5037  100.160 4.1337  -1.876770      6.113164  
1 1 1 -6  79  10 f 129.949 3.1493  9187.86    443.261  8610.21    628.034  9761.22    625.704  125.461 4.6217  133.668 4.3219  -8.206581      6.327620  
1 1 1 -6  79  11 o 100.948 3.0020  5543.88    328.232  5697.09    471.860  5400.25    456.881  102.096 4.2671  99.405  4.2435  2.690338       6.017936  
1 1 1 -6  79  12 o 115.111 3.1592  7215.70    393.879  7178.36    577.175  7248.24    538.855  114.443 4.6564  115.093 4.3227  -0.6505203     6.353535  
1 1 1 -6  79  13 o 115.842 3.1022  7309.13    389.228  7441.68    555.522  7181.32    545.518  116.549 4.4007  114.493 4.3991  2.056519       6.222363  
1 1 1 -6  79  14 o 21.767  6.8236  263.102    178.971  437.845    262.963  112.312    244.277  27.583  8.2000  19.271  7.7144  8.312084       11.25839  
1 1 1 -6  79  15 o 61.907  3.5099  2100.18    234.377  1995.50    344.819  2190.07    319.541  59.866  5.3752  62.928  4.7227  -3.062313      7.155170  
1 1 1 -6  79  16 o 26.078  7.4156  394.631    219.391  -12.3201   351.737  653.771    280.682  20.140  8.7291  33.312  7.8993  -13.17139      11.77267  
1 1 1 -6  79  17 o 25.898  7.6325  390.498    228.627  178.972    383.170  507.437    284.899  23.638  9.5912  29.280  8.4893  -5.642273      12.80859  
1 1 1 -6  79  18 o 11.705  1.6116  75.809     19.890   -286.7825  326.351  77.161     19.927   15.960  7.4834  11.813  1.5985  4.146658       7.652225  
1 1 1 -6  79  19 o 23.514  7.7739  318.228    230.270  413.953    343.621  240.200    310.234  26.837  9.4798  22.830  8.8270  4.006912       12.95310  
1 1 1 -6  79  20 o 41.297  5.7546  986.365    250.402  802.873    379.690  1127.60    333.109  35.382  9.6438  43.395  7.3497  -8.012337      12.12520  
1 1 1 -6  79  21 o 67.200  2.9164  2481.34    212.271  3011.47    498.312  2363.82    234.624  71.796  6.4779  65.369  3.3248  6.426842       7.281304  
1 1 1 -6  79  22 o 39.707  6.3367  936.976    263.360  998.371    402.317  890.941    348.375  38.946  9.5990  37.274  8.7748  1.672791       13.00533  
1 1 1 -6  79  23 o 16.325  7.2707  -39.9929   259.644  -467.4007  416.273  232.171    332.179  16.457  7.9205  22.396  8.9852  -5.939148      11.97781  
1 1 1 -6  79  24 f 21.102  7.5945  252.304    221.521  902.915    435.685  25.472     257.255  35.770  10.535  17.184  7.4566  18.58579       12.90668  
1 1 1 -6  80  1  o 81.944  2.7773  3646.56    246.497  3420.99    349.570  3869.65    347.638  79.136  4.0924  84.310  3.8070  -5.174065      5.589368  
1 1 1 -6  80  2  o 72.080  2.8308  2821.89    220.998  2711.66    310.516  2935.03    314.599  70.430  4.0882  73.301  3.9775  -2.870445      5.703798  
1 1 1 -6  80  3  o 42.753  3.4551  1000.63    158.623  1002.09    225.473  999.202    223.199  42.538  4.9885  42.484  4.9430  0.5420303E-01  7.022675  
1 1 1 -6  80  4  o 41.782  3.7749  958.072    168.985  975.146    223.909  935.478    257.572  41.944  5.0289  40.872  5.9968  1.072517       7.826359  
1 1 1 -6  80  5  o 45.506  3.7068  1134.71    181.111  1162.40    243.725  1100.56    270.642  45.848  4.9885  44.443  5.7578  1.405678       7.618267  
1 1 1 -6  80  6  o 13.792  5.7081  28.553     139.179  -42.5224   191.488  108.150    202.644  14.527  6.3659  18.074  7.0929  -3.547209      9.530684  
1 1 1 -6  80  7  o 59.535  3.2031  1933.17    205.787  1844.91    305.485  2006.49    278.444  57.874  4.9201  60.492  4.2774  -2.618103      6.519457  
1 1 1 -6  80  8  o 129.181 3.1274  9076.00    437.578  9070.72    624.303  9081.10    613.494  128.857 4.4732  128.951 4.3925  -0.9370422E-01 6.269280  
1 1 1 -6  80  9  o 49.052  3.6599  1318.31    193.041  1446.87    290.660  1216.85    258.214  51.084  5.3318  46.835  5.1768  4.248909       7.431503  
1 1 1 -6  80  10 o 61.360  3.3914  2056.80    224.514  2042.43    340.902  2067.80    298.356  60.784  5.2290  61.318  4.5243  -0.5345993     6.914647  
1 1 1 -6  80  11 o 84.356  3.0835  3873.53    281.727  4047.56    416.161  3726.30    382.773  85.870  4.4902  82.428  4.3023  3.441673       6.218662  
1 1 1 -6  80  12 f 31.306  5.9426  558.571    194.126  461.383    312.332  619.748    247.803  28.586  9.0221  32.738  7.1856  -4.152102      11.53392  
1 1 1 -6  80  13 o 31.880  5.5570  576.515    184.906  484.257    270.859  657.036    253.044  28.895  8.2476  33.691  7.1554  -4.795876      10.91889  
1 1 1 -6  80  14 o 41.618  4.6345  962.948    205.357  736.751    309.740  1140.36    274.313  35.410  8.2323  45.041  5.7545  -9.631943      10.04410  
1 1 1 -6  80  15 o 92.069  3.1385  4623.80    312.972  4843.28    455.659  4427.78    430.621  93.879  4.4813  89.777  4.4285  4.101898       6.300300  
1 1 1 -6  80  16 o 30.568  6.9414  546.047    224.572  772.375    361.576  403.909    286.539  35.826  9.2532  26.688  8.6646  9.138018       12.67663  
1 1 1 -6  80  17 o 65.129  2.7294  2314.49    192.536  2030.93    431.527  2384.97    215.137  59.523  6.8164  66.061  3.0068  -6.537807      7.450117  
1 1 1 -6  80  18 o 54.129  4.5289  1638.00    263.079  1498.59    422.339  1726.39    336.293  50.127  8.0515  55.081  5.7204  -4.954639      9.876713  
1 1 1 -6  80  19 o 60.467  4.2183  2041.04    274.535  1869.97    406.786  2184.13    372.040  56.559  6.7753  61.866  5.6133  -5.307514      8.798527  
1 1 1 -6  80  20 f 16.422  7.1885  -16.6550   243.596  -258.8403  406.467  119.078    304.295  18.222  8.4807  20.330  8.4293  -2.107477      11.95723  
1 1 1 -6  80  21 o 23.561  7.9896  325.369    243.055  81.944     375.093  501.559    319.115  21.178  9.0956  28.269  9.1406  -7.091408      12.89499  
1 1 1 -6  80  22 o 56.381  4.7691  1810.02    288.504  1967.21    457.008  1705.87    372.000  56.759  7.6270  53.603  6.5433  3.155907       10.04918  
1 1 1 -6  80  23 o 25.035  8.7045  386.418    289.020  507.347    527.815  334.630    345.406  28.647  11.382  24.388  9.3440  4.258497       14.72588  
1 1 1 -6  80  24 o 37.156  6.0599  825.581    235.467  950.210    462.602  782.000    273.555  36.408  10.888  35.372  7.3790  1.035595       13.15282  
1 1 1 -6  81  1  o 68.617  2.8532  2557.66    212.052  2555.55    296.299  2559.88    303.608  68.370  4.0189  68.412  4.1166  -0.4233551E-01 5.753081  
1 1 1 -6  81  2  o 89.841  2.8382  4384.44    276.181  4349.12    388.863  4420.39    392.318  89.341  4.0186  90.070  4.0215  -0.7286606     5.685211  
1 1 1 -6  81  3  o 23.513  5.5533  314.966    139.168  344.362    188.421  279.680    206.435  24.626  6.8270  22.778  7.3504  1.847784       10.03177  
1 1 1 -6  81  4  o 36.427  4.0363  731.913    156.572  682.290    212.836  790.443    231.148  34.805  5.8537  37.518  5.8817  -2.712711      8.298180  
1 1 1 -6  81  5  o 141.988 3.2436  10964.60   498.826  10993.21   704.464  10935.83   706.433  141.873 4.5845  141.495 4.6095  0.3773041      6.501183  
1 1 1 -6  81  6  o 88.357  2.9016  4242.73    277.682  4149.08    395.318  4333.94    390.138  87.211  4.1851  89.154  4.0402  -1.943718      5.817088  
1 1 1 -6  81  7  o 99.824  2.9710  5417.58    321.225  5158.63    453.117  5679.20    455.453  97.202  4.3039  102.023 4.1217  -4.820946      5.959217  
1 1 1 -6  81  8  o 91.953  2.9026  4597.00    289.084  4812.05    412.465  4389.38    405.283  93.904  4.0554  89.665  4.1732  4.239006       5.819051  
1 1 1 -6  81  9  o 31.525  5.3338  560.200    175.627  563.926    279.469  557.768    225.781  31.190  8.1738  31.147  6.8766  0.4383850E-01  10.68170  
1 1 1 -6  81  10 o 83.355  3.0367  3781.30    274.161  3639.97    398.408  3908.42    377.853  81.415  4.5361  84.570  4.1251  -3.154610      6.131267  
1 1 1 -6  81  11 o 64.282  3.3405  2257.91    231.776  2269.45    334.614  2247.26    321.351  64.132  4.8532  63.858  4.6788  0.2744064      6.741238  
1 1 1 -6  81  12 o 75.989  3.2344  3147.21    266.205  2936.37    390.744  3329.82    363.655  72.920  4.9771  77.849  4.3300  -4.929611      6.597022  
1 1 1 -6  81  13 o 71.797  3.3533  2812.38    260.765  2606.30    386.967  2983.80    352.934  68.560  5.2511  73.618  4.4472  -5.057831      6.881226  
1 1 1 -6  81  14 o 87.913  3.1901  4215.39    303.758  4238.28    448.522  4196.00    412.849  87.654  4.7420  87.442  4.3592  0.2121887      6.441181  
1 1 1 -6  81  15 o 23.365  7.1356  310.134    197.168  42.872     314.849  482.566    252.897  19.929  8.4384  28.682  7.8925  -8.753212      11.55415  
1 1 1 -6  81  16 o 68.680  3.9330  2598.99    291.350  2886.70    475.311  2425.83    368.746  71.515  6.1976  65.920  5.2071  5.595268       8.094709  
1 1 1 -6  81  17 o 77.989  3.6311  3342.99    306.715  3315.82    475.896  3362.30    401.142  76.622  5.7769  77.656  4.7927  -1.033531      7.506171  
1 1 1 -6  81  18 o 24.890  7.6432  367.382    225.863  951.614    363.851  1.1213     288.089  39.245  8.7795  18.151  7.8834  21.09418       11.79948  
1 1 1 -6  81  19 o 35.223  6.2896  729.351    231.144  392.317    407.411  889.333    280.693  26.921  10.188  38.668  6.9580  -11.74685      12.33691  
1 1 1 -6  81  20 o 47.420  5.5532  1294.45    279.816  1116.76    469.728  1392.18    348.373  41.056  10.517  48.505  6.8195  -7.448238      12.53410  
1 1 1 -6  81  21 o 21.562  7.9653  246.465    245.988  360.943    390.670  171.262    316.639  25.736  9.9181  21.297  8.6893  4.439240       13.18606  
1 1 1 -6  81  22 o 67.117  4.2818  2539.70    309.641  2141.18    487.302  2809.57    401.002  58.989  7.8197  69.856  5.3405  -10.86612      9.469351  
1 1 1 -6  81  23 o 72.100  4.4122  2945.04    342.903  2731.54    572.703  3064.35    428.125  66.052  8.1802  72.699  5.4774  -6.647621      9.844689  
1 1 1 -6  82  1  o 47.404  3.4562  1229.17    176.232  1419.82    261.940  1071.50    238.206  50.745  4.8239  43.968  5.0965  6.776764       7.017439  
1 1 1 -6  82  2  o 91.978  2.8144  4596.10    280.376  4550.44    395.048  4642.44    397.991  91.373  3.9917  92.294  3.9814  -0.9206619     5.637837  
1 1 1 -6  82  3  o 112.292 2.9615  6853.06    360.190  6639.89    508.289  7068.08    510.489  110.323 4.2538  113.847 4.1400  -3.523720      5.935814  
1 1 1 -6  82  4  o 78.708  2.8604  3366.26    243.844  3165.18    345.402  3566.06    344.296  76.057  4.2093  80.888  3.9299  -4.831276      5.758658  
1 1 1 -6  82  5  o 89.524  2.9043  4356.17    281.615  4508.41    399.576  4205.91    396.964  90.918  4.0577  87.797  4.1745  3.121231       5.821594  
1 1 1 -6  82  6  o 60.044  3.1655  1966.58    205.134  2120.15    287.427  1807.14    292.856  62.168  4.2950  57.284  4.7633  4.884369       6.413712  
1 1 1 -6  82  7  o 91.192  2.9413  4521.86    290.518  4510.96    415.612  4532.27    406.257  90.887  4.2220  91.120  4.1164  -0.2331924     5.896574  
1 1 1 -6  82  8  o 56.530  3.2440  1745.25    197.793  1643.35    284.615  1840.44    275.073  54.558  4.8676  57.852  4.4235  -3.294258      6.577294  
1 1 1 -6  82  9  o 124.442 3.1583  8430.55    425.688  8428.71    605.849  8432.34    598.248  124.091 4.5077  124.135 4.4496  -0.4364777E-01 6.333864  
1 1 1 -6  82  10 o 83.196  3.0933  3768.41    278.734  3735.85    400.984  3798.84    387.729  82.472  4.5061  83.214  4.3167  -0.7422791     6.240123  
1 1 1 -6  82  11 o 82.828  3.0821  3736.51    276.496  3958.28    396.990  3527.59    385.320  84.909  4.3311  80.112  4.4584  4.797775       6.215784  
1 1 1 -6  82  12 o 14.037  6.0876  -19.9519   171.285  19.904     263.400  -49.1546   225.467  18.119  7.6975  15.659  6.8835  2.460684       10.32637  
1 1 1 -6  82  13 o 98.456  3.0873  5283.61    329.228  4893.99    471.186  5655.28    460.206  94.384  4.6092  101.588 4.1825  -7.203537      6.224003  
1 1 1 -6  82  14 o 83.308  3.3430  3790.04    301.647  3737.92    458.761  3829.75    400.363  82.101  5.1857  83.363  4.4503  -1.261696      6.833457  
1 1 1 -6  82  15 o 11.992  5.7336  -275.1913  210.173  -274.1671  334.630  -275.8586  270.094  16.481  7.6783  14.294  6.7353  2.186929       10.21379  
1 1 1 -6  82  16 o 71.145  3.6893  2786.89    283.315  2872.78    425.848  2718.69    379.484  71.510  5.5414  69.766  5.0563  1.743820       7.501573  
1 1 1 -6  82  17 o 83.031  2.9769  3775.11    267.711  3928.17    494.902  3711.79    318.301  83.430  5.5078  82.130  3.5782  1.299667       6.568056  
1 1 1 -6  82  18 o 22.826  7.7053  295.534    226.054  512.697    362.812  157.735    289.008  29.035  9.7618  20.791  8.3670  8.244160       12.85688  
1 1 1 -6  82  19 o 26.981  7.7432  443.473    238.116  631.818    376.400  317.805    307.457  31.516  9.8983  24.248  8.9139  7.267698       13.32044  
1 1 1 -6  82  20 o 74.625  3.9388  3103.48    317.233  3377.76    490.221  2905.86    416.106  76.500  5.9636  71.306  5.4285  5.193909       8.064326  
1 1 1 -6  82  21 o 72.607  4.0920  2954.32    320.490  3209.02    503.169  2780.46    415.730  73.989  6.3400  69.445  5.5741  4.544205       8.441964  
1 1 1 -6  82  22 o 45.329  5.6644  1201.55    272.028  1292.01    422.688  1137.60    355.411  44.662  9.0481  42.613  7.9941  2.048622       12.07366  
1 1 1 -6  82  23 o 46.938  5.8322  1296.66    290.112  1229.85    488.070  1333.16    360.761  41.937  10.708  46.528  7.4070  -4.590954      13.02012  
1 1 1 -6  83  1  o 135.148 3.1878  9934.30    466.629  9455.18    662.104  10407.13   657.745  131.529 4.6477  138.057 4.3987  -6.528168      6.399204  
1 1 1 -6  83  2  o 39.112  1.8649  829.684    79.000   838.313    84.174   765.899    228.850  39.261  1.9859  36.887  5.9289  2.374107       6.252647  
1 1 1 -6  83  3  o 38.903  3.7580  832.196    156.375  874.920    224.798  792.139    217.670  39.596  5.3810  37.617  5.5054  1.979443       7.698382  
1 1 1 -6  83  4  o 89.509  2.8577  4354.61    277.043  4233.56    395.238  4471.53    388.446  88.080  4.1430  90.551  3.9606  -2.471237      5.731574  
1 1 1 -6  83  5  o 69.202  2.9948  2604.18    224.468  2740.08    324.969  2480.17    310.421  70.711  4.2630  67.258  4.2836  3.453506       6.043375  
1 1 1 -6  83  6  o 100.030 3.0331  5442.50    328.610  5331.03    475.743  5544.22    454.439  98.753  4.4479  100.766 4.1638  -2.013298      6.092674  
1 1 1 -6  83  7  o 99.000  3.0277  5332.14    324.647  5383.50    463.903  5282.85    454.482  99.241  4.3158  98.319  4.2678  0.9220200      6.069659  
1 1 1 -6  83  8  o 88.040  2.9894  4217.30    285.060  4023.24    395.461  4427.18    411.274  85.784  4.2562  89.995  4.2193  -4.210732      5.993184  
1 1 1 -6  83  9  o 84.416  3.1017  3879.62    283.594  3341.96    410.510  4370.49    392.238  77.896  4.8905  89.430  4.0494  -11.53490      6.349370  
1 1 1 -6  83  10 o 135.601 3.2474  10019.95   476.951  9877.00    678.389  10159.67   670.699  134.188 4.6676  136.138 4.5486  -1.950211      6.517405  
1 1 1 -6  83  11 o 56.532  3.5671  1751.41    217.297  1799.87    315.800  1707.83    299.459  56.947  5.1765  55.497  5.0368  1.450706       7.222625  
1 1 1 -6  83  12 o 79.210  3.2959  3422.33    282.767  3573.92    427.400  3304.33    377.095  80.447  4.9289  77.465  4.5140  2.982857       6.683597  
1 1 1 -6  83  13 o 136.520 3.2732  10171.09   483.997  10269.44   689.124  10075.35   679.920  136.645 4.6562  135.355 4.6378  1.289276       6.571891  
1 1 1 -6  83  14 o 119.427 3.2157  7788.89    415.960  8010.91    605.747  7590.79    572.198  120.575 4.6384  117.431 4.4988  3.144432       6.461679  
1 1 1 -6  83  15 o 39.509  5.4877  884.584    228.487  986.375    337.473  798.430    310.471  40.883  7.9071  36.648  8.0425  4.235592       11.27850  
1 1 1 -6  83  16 o 47.358  4.8709  1259.78    246.284  1311.82    375.747  1220.57    326.102  47.188  7.6107  45.867  6.7676  1.321556       10.18443  
1 1 1 -6  83  17 o 17.014  7.2247  33.885     231.838  314.791    416.759  -91.9986   278.990  25.902  10.170  16.559  7.4437  9.343428       12.60277  
1 1 1 -6  83  18 o 73.711  3.8011  3012.11    302.429  3231.96    468.974  2855.60    395.699  75.230  5.8004  71.067  5.1763  4.162491       7.774224  
1 1 1 -6  83  19 o 77.823  3.7268  3353.49    314.135  3531.51    487.887  3227.43    410.561  78.483  5.7802  75.510  5.0491  2.973076       7.674887  
1 1 1 -6  83  20 o 14.443  6.6284  -130.1099  235.900  -117.3290  373.166  -138.6171  304.449  18.659  8.4762  16.547  7.5703  2.111671       11.36463  
1 1 1 -6  83  21 o 53.246  4.9249  1619.89    280.805  1759.27    433.975  1519.50    368.295  53.617  7.6934  50.309  6.9440  3.307640       10.36374  
1 1 1 -6  83  22 o 57.185  2.6929  1798.14    166.793  1811.52    499.771  1796.46    176.938  53.065  9.0183  57.031  2.8737  -3.966290      9.465057  
1 1 1 -6  84  1  o 155.093 3.4648  13097.48   582.018  12469.53   849.596  13652.77   798.933  150.818 5.2010  157.998 4.6686  -7.179794      6.989035  
1 1 1 -6  84  2  o 125.759 3.1396  8603.42    427.642  8097.81    603.903  9111.96    605.656  121.700 4.5815  129.162 4.3293  -7.461723      6.303418  
1 1 1 -6  84  3  o 135.473 3.1997  9986.17    469.504  9516.65    656.578  10477.46   671.634  131.920 4.5952  138.453 4.4788  -6.532822      6.416804  
1 1 1 -6  84  4  o 129.147 3.1575  9075.16    441.666  8618.57    621.796  9540.11    627.464  125.532 4.5732  132.126 4.3846  -6.593254      6.335553  
1 1 1 -6  84  5  o 82.097  2.9903  3666.00    265.892  3435.06    374.445  3900.88    377.632  79.152  4.3848  84.519  4.1252  -5.366936      6.020291  
1 1 1 -6  84  6  o 22.561  6.7304  285.829    176.928  611.899    259.978  4.5238     241.473  32.525  7.5287  17.201  7.3402  15.32387       10.51475  
1 1 1 -6  84  7  o 123.885 3.1089  8353.87    417.156  8267.86    587.177  8441.52    592.757  122.930 4.4100  124.216 4.4058  -1.285545      6.233754  
1 1 1 -6  84  8  o 76.414  3.1350  3179.35    259.470  2995.07    351.264  3400.64    384.933  73.845  4.4120  78.671  4.5368  -4.826653      6.328339  
1 1 1 -6  84  9  o 121.584 3.1467  8052.13    414.381  7492.72    586.065  8611.39    585.982  116.892 4.6290  125.417 4.3138  -8.525208      6.327454  
1 1 1 -6  84  10 o 189.378 3.8339  19599.80   786.404  19172.69   1121.37  20013.15   1103.14  186.378 5.5550  190.552 5.3450  -4.174332      7.708882  
1 1 1 -6  84  11 o 48.578  4.0598  1300.35    211.649  1326.02    322.798  1280.99    280.311  48.490  6.2947  47.870  5.5067  0.6198120      8.363471  
1 1 1 -6  84  12 o 52.742  3.8903  1530.31    220.667  1633.87    332.054  1448.41    295.309  54.021  5.7641  50.923  5.4383  3.097980       7.924612  
1 1 1 -6  84  13 o 19.142  6.8494  178.884    179.940  53.819     266.079  284.283    244.266  18.717  7.8314  23.208  8.0060  -4.491623      11.19945  
1 1 1 -6  84  14 o 66.703  3.6631  2445.46    263.631  2455.25    415.415  2438.85    341.128  66.089  5.8643  66.271  4.7846  -0.1822052     7.568542  
1 1 1 -6  84  15 o 23.507  7.6641  312.246    224.099  88.212     347.012  472.523    293.511  21.248  8.9202  28.241  8.7198  -6.992882      12.47419  
1 1 1 -6  84  16 o 129.527 3.4062  9220.57    477.857  8994.52    690.890  9427.90    661.642  126.840 5.0290  130.122 4.6946  -3.282135      6.879730  
1 1 1 -6  84  17 o 22.903  7.6677  298.176    223.839  -107.4902  351.305  575.428    290.427  18.471  8.3232  30.577  8.4755  -12.10620      11.87893  
1 1 1 -6  84  18 o 43.034  5.2204  1057.35    238.343  1259.40    448.501  977.837    281.362  44.603  9.5704  40.754  6.5998  3.848625       11.62543  
1 1 1 -6  84  19 o 31.194  7.2181  591.995    239.037  1037.83    388.184  319.679    303.379  40.472  9.0790  24.136  8.8573  16.33542       12.68388  
1 1 1 -6  84  20 o 21.327  7.8022  243.245    235.148  489.879    362.989  64.897     308.674  28.027  9.7544  19.381  8.2854  8.646448       12.79830  
1 1 1 -6  84  21 o 46.064  5.8460  1243.09    285.104  1055.15    475.772  1348.39    356.128  38.955  10.866  47.128  7.2057  -8.172928      13.03789  
1 1 1 -6  84  22 o 65.255  4.3602  2407.50    306.395  2549.35    476.072  2307.20    400.322  65.226  6.8406  62.749  5.9618  2.476715       9.073987  
1 1 1 -6  85  1  o 75.229  3.1216  3079.39    254.349  3033.02    356.429  3127.50    363.070  74.352  4.4464  75.502  4.4596  -1.150085      6.297465  
1 1 1 -6  85  2  o 141.828 3.2606  10950.04   500.882  10544.24   714.914  11341.29   701.972  138.771 4.7565  144.003 4.5007  -5.231827      6.548286  
1 1 1 -6  85  3  o 92.394  2.9080  4642.44    291.012  4659.98    408.834  4624.43    414.327  92.381  4.0860  92.014  4.1574  0.3664093      5.829148  
1 1 1 -6  85  4  o 149.084 3.2674  12101.48   527.591  12003.28   744.500  12200.55   747.765  148.074 4.6421  149.292 4.6244  -1.217941      6.552445  
1 1 1 -6  85  5  o 50.652  3.5521  1405.21    193.641  1540.12    271.779  1266.10    275.968  52.804  4.8046  47.694  5.4396  5.110096       7.257618  
1 1 1 -6  85  6  o 68.327  3.3255  2543.22    246.106  2636.13    353.455  2455.78    342.878  69.198  4.7446  66.772  4.7725  2.426346       6.729667  
1 1 1 -6  85  7  o 120.209 3.1379  7868.48    408.546  7552.71    579.076  8181.42    576.476  117.419 4.5533  122.268 4.3531  -4.849564      6.299378  
1 1 1 -6  85  8  o 103.010 3.0618  5778.11    341.603  5791.66    482.641  5764.52    483.560  102.850 4.3326  102.603 4.3513  0.2461243      6.140479  
1 1 1 -6  85  9  o 71.391  3.1601  2777.03    244.350  2774.40    346.331  2779.64    344.801  70.991  4.5278  71.064  4.5029  -0.7347107E-01 6.385725  
1 1 1 -6  85  10 o 51.827  3.9198  1477.04    218.408  1488.18    329.179  1468.27    291.918  51.505  6.0141  51.346  5.3266  0.1592331      8.033816  
1 1 1 -6  85  11 o 77.952  3.1744  3313.35    268.016  3467.09    387.684  3172.61    370.935  79.337  4.5304  75.881  4.5341  3.456017       6.409549  
1 1 1 -6  85  12 o 72.678  2.6959  2876.28    212.215  3088.15    388.936  2786.47    253.232  74.710  4.8324  71.442  3.2726  3.267448       5.836283  
1 1 1 -6  85  13 o 105.529 3.1905  6083.26    364.668  5994.75    530.071  6162.80    502.472  104.237 4.6950  105.813 4.3843  -1.575882      6.423836  
1 1 1 -6  85  14 o 94.377  3.2933  4876.40    336.641  5040.10    510.480  4750.43    447.815  95.173  4.9694  92.733  4.4585  2.440056       6.676322  
1 1 1 -6  85  15 o 92.570  3.4314  4705.92    344.046  4794.06    510.023  4632.32    466.054  92.528  5.1089  91.160  4.7365  1.367958       6.966764  
1 1 1 -6  85  16 o 7.3547  3.1020  3.1779     42.282   431.921    392.341  -1.8601    42.530   27.712  10.087  7.1617  3.0689  20.55019       10.54374  
1 1 1 -6  85  17 o 67.528  3.8790  2530.47    282.520  2545.06    431.256  2519.50    373.935  66.602  6.0442  66.741  5.2143  -0.1391983     7.982537  
1 1 1 -6  85  18 f 41.401  5.8437  993.704    254.752  1182.49    420.573  884.297    320.172  43.296  9.2494  37.956  8.0384  5.340778       12.25427  
1 1 1 -6  85  19 o 41.284  5.9150  994.839    256.932  1335.73    427.587  802.195    321.434  46.078  8.8896  35.729  8.4404  10.34911       12.25831  
1 1 1 -6  85  20 o 29.696  2.4239  485.993    77.283   1252.22    427.901  460.156    78.576   44.077  9.2576  28.866  2.5390  15.21086       9.599486  
1 1 1 -6  85  21 o 23.308  8.2963  316.054    263.661  287.608    452.587  330.667    324.392  25.064  10.326  24.246  9.1091  0.8188210      13.76963  
1 1 1 -6  86  1  o 62.394  3.3529  2126.38    225.757  2225.87    314.915  2021.19    323.806  63.606  4.6022  60.511  4.9849  3.095016       6.784537  
1 1 1 -6  86  2  f 71.887  3.1166  2812.55    242.661  2762.33    344.668  2861.91    341.700  70.911  4.5111  72.209  4.3898  -1.298607      6.294482  
1 1 1 -6  86  3  o 124.726 3.1029  8466.90    419.176  8511.12    593.736  8422.96    591.877  124.739 4.3946  124.089 4.4038  0.6503677      6.221429  
1 1 1 -6  86  4  o 89.636  2.9548  4371.32    286.866  4269.43    402.192  4476.83    409.280  88.378  4.2016  90.504  4.1752  -2.126389      5.923371  
1 1 1 -6  86  5  o 49.756  3.5781  1356.89    191.538  1437.31    268.831  1273.97    272.966  50.951  4.9332  47.844  5.3597  3.107510       7.284387  
1 1 1 -6  86  6  o 12.173  5.4849  -74.8689   152.518  -278.2106  236.730  69.431     199.422  13.103  6.2136  17.010  6.9130  -3.906236      9.295029  
1 1 1 -6  86  7  o 21.793  6.5248  267.004    166.061  301.291    249.284  239.651    222.656  23.862  8.0913  21.798  7.6366  2.063992       11.12598  
1 1 1 -6  86  8  o 63.508  3.3882  2205.66    232.220  2270.73    327.696  2140.02    329.126  64.144  4.7505  62.217  4.9243  1.926983       6.842236  
1 1 1 -6  86  9  o 61.619  3.3876  2077.25    225.219  1924.07    320.271  2227.10    316.772  58.924  5.0676  63.537  4.6351  -4.613358      6.867655  
1 1 1 -6  86  10 o 131.189 3.2415  9386.34    460.596  9318.30    659.744  9451.03    643.330  130.219 4.6777  131.204 4.5271  -0.9844055     6.509604  
1 1 1 -6  86  11 o 59.945  3.5228  1970.49    227.720  2153.86    333.014  1809.43    312.093  62.309  4.9760  57.041  5.1056  5.268269       7.129339  
1 1 1 -6  86  12 o 35.169  5.3744  700.254    198.222  654.956    303.712  733.867    261.628  33.195  8.4311  35.529  7.0476  -2.333599      10.98873  
1 1 1 -6  86  13 o 52.865  3.8941  1543.49    221.397  1767.89    325.341  1349.95    302.150  56.109  5.4210  48.824  5.8290  7.284966       7.960160  
1 1 1 -6  86  14 o 27.252  7.5060  441.675    228.606  635.290    358.702  309.246    296.658  32.208  9.5775  24.301  8.7827  7.907187       12.99480  
1 1 1 -6  86  15 o 29.507  7.5852  524.792    243.753  630.482    404.829  464.684    305.297  31.883  10.294  27.866  8.9332  4.017036       13.62957  
1 1 1 -6  86  16 o 25.389  7.8108  383.477    235.752  572.773    375.579  260.397    302.846  30.462  9.9213  23.131  8.7762  7.330938       13.24590  
1 1 1 -6  86  17 f 48.481  4.9344  1331.06    255.495  1059.68    390.682  1533.85    337.724  41.182  9.0093  51.469  6.1820  -10.28632      10.92634  
1 1 1 -6  86  18 o 64.298  4.0380  2306.50    279.782  2084.48    424.345  2477.24    372.122  59.622  6.6864  65.991  5.2497  -6.368954      8.501002  
1 1 1 -6  86  19 o 30.914  7.2247  585.101    237.556  661.047    374.333  533.891    307.385  31.826  9.8509  29.040  8.9164  2.786547       13.28690  
1 1 1 -6  86  20 o 16.096  6.9961  4.2099     227.241  -80.2179   363.343  58.449     291.227  18.719  8.4470  18.782  8.0391  -0.6348801E-01 11.66105  
1 1 1 -6  86  21 o 14.513  6.6748  -132.1649  240.990  -470.8831  394.364  69.704     304.447  15.933  7.6785  19.231  8.2251  -3.298546      11.25220  
1 1 1 -6  87  1  o 124.390 3.1617  8424.70    425.964  8071.55    610.978  8758.70    594.181  121.377 4.6475  126.532 4.3356  -5.155876      6.355832  
1 1 1 -6  87  2  o 144.973 3.3062  11449.66   519.140  11779.19   732.824  11117.70   735.532  146.633 4.6142  142.400 4.7689  4.232422       6.635785  
1 1 1 -6  87  3  o 176.383 3.6749  16974.10   702.065  16215.20   990.863  17739.18   994.889  171.696 5.3282  179.693 5.1118  -7.997787      7.383800  
1 1 1 -6  87  4  o 43.831  4.1667  1059.79    195.428  1139.94    280.056  983.721    272.840  45.086  5.8745  41.740  6.2255  3.346302       8.559581  
1 1 1 -6  87  5  o 135.438 3.2319  9994.09    474.097  10134.11   677.238  9859.52    663.910  135.965 4.5988  134.120 4.5703  1.844650       6.483559  
1 1 1 -6  87  6  o 97.811  3.0443  5209.57    322.514  5027.66    450.213  5401.32    462.232  95.819  4.3381  99.326  4.2966  -3.507256      6.105712  
1 1 1 -6  87  7  o 129.488 3.1764  9136.20    445.491  8620.33    627.364  9660.90    632.708  125.352 4.6208  132.782 4.3994  -7.430115      6.380173  
1 1 1 -6  87  8  o 90.984  3.0529  4509.31    300.847  4587.31    417.493  4425.07    433.905  91.527  4.2114  89.834  4.4595  1.693199       6.133769  
1 1 1 -6  87  9  o 92.048  3.0407  4616.93    303.147  4591.27    430.063  4642.27    427.378  91.500  4.3395  92.020  4.2881  -0.5202560     6.100734  
1 1 1 -6  87  10 o 134.193 3.2194  9826.11    467.919  9475.60    661.301  10177.56   662.174  131.241 4.6522  136.087 4.4925  -4.846039      6.467263  
1 1 1 -6  87  11 o 87.960  3.1274  4223.09    297.944  4393.61    428.912  4064.07    414.187  89.367  4.4312  85.828  4.4710  3.539001       6.294865  
1 1 1 -6  87  12 o 44.548  4.6310  1107.21    220.180  1173.60    353.991  1065.32    281.193  44.858  7.5544  43.201  6.1862  1.657047       9.764082  
1 1 1 -6  87  13 o 49.438  4.2141  1358.14    223.495  1291.27    340.381  1408.82    296.320  47.235  6.8533  49.896  5.5786  -2.660728      8.836803  
1 1 1 -6  87  14 o 46.146  4.8529  1198.68    238.917  1161.52    354.756  1229.52    323.203  44.214  7.6871  45.994  6.6835  -1.780647      10.18630  
1 1 1 -6  87  15 o 31.950  7.0019  608.434    235.612  715.415    366.965  533.400    307.324  33.781  9.5853  29.536  8.8838  4.244884       13.06907  
1 1 1 -6  87  16 o 28.951  7.5826  508.483    240.592  520.127    383.045  500.896    309.192  29.305  10.029  28.622  8.9683  0.6831913      13.45434  
1 1 1 -6  87  17 o 25.479  7.9898  389.900    245.350  302.031    406.624  440.204    307.667  25.315  10.011  27.024  8.9883  -1.708860      13.45427  
1 1 1 -6  87  18 o 44.828  5.2473  1151.96    249.953  1091.21    387.112  1195.40    327.333  41.623  8.8588  44.776  6.9768  -3.153881      11.27629  
1 1 1 -6  87  19 o 74.171  3.8116  3066.25    305.172  2744.56    462.719  3313.89    405.984  68.501  6.3075  76.397  4.9328  -7.895798      8.007289  
1 1 1 -6  87  20 o 15.424  6.8429  -37.7815   227.763  186.514    366.783  -178.5549  290.576  22.375  9.2640  15.595  7.2278  6.780065       11.74999  
1 1 1 -6  88  1  o 57.718  3.6884  1825.43    229.378  1776.43    336.348  1868.04    313.622  56.515  5.5671  58.103  5.0333  -1.587833      7.505124  
1 1 1 -6  88  2  o 82.214  3.1047  3680.77    276.464  3603.52    386.991  3761.29    395.093  81.000  4.4279  82.760  4.4237  -1.760170      6.259017  
1 1 1 -6  88  3  o 65.425  3.2464  2332.27    230.049  2204.09    326.131  2459.21    324.552  63.200  4.8002  66.847  4.5089  -3.647511      6.585806  
1 1 1 -6  88  4  o 95.015  3.1085  4916.83    319.903  5075.42    448.886  4753.16    456.020  96.286  4.3043  93.127  4.5210  3.158722       6.242326  
1 1 1 -6  88  5  o 105.470 3.2199  6061.62    367.824  5583.07    533.342  6495.69    507.951  100.818 4.8843  108.917 4.3058  -8.099213      6.511234  
1 1 1 -6  88  6  f 109.109 3.1682  6486.47    374.405  6111.00    532.265  6854.21    526.754  105.532 4.6567  111.859 4.3478  -6.326904      6.370856  
1 1 1 -6  88  7  o 18.310  6.6166  157.858    168.364  141.744    260.903  169.357    220.395  20.350  8.0282  19.926  7.5040  0.4231586      10.98923  
1 1 1 -6  88  8  f 94.355  3.0668  4852.14    313.418  4678.61    433.876  5041.49    453.238  92.361  4.3372  95.868  4.3650  -3.507187      6.153378  
1 1 1 -6  88  9  o 133.191 3.2640  9681.91    470.867  9478.60    671.667  9878.39    660.291  131.231 4.7255  134.050 4.5478  -2.818451      6.558385  
1 1 1 -6  88  10 o 25.993  6.3093  392.046    175.833  416.205    249.017  368.022    248.316  26.803  7.9821  25.468  8.0452  1.335747       11.33316  
1 1 1 -6  88  11 o 20.939  6.9089  239.518    181.910  165.195    270.315  301.035    245.929  20.879  8.1925  23.571  8.0365  -2.691807      11.47616  
1 1 1 -6  88  12 o 42.914  4.8072  1033.08    219.601  905.979    354.970  1111.88    279.507  38.743  8.6750  44.132  6.0032  -5.388885      10.54963  
1 1 1 -6  88  13 o 28.766  6.8354  490.633    209.822  408.236    299.728  569.817    293.826  26.559  8.8729  30.618  8.5385  -4.058519      12.31401  
1 1 1 -6  88  14 o 36.546  6.0125  773.722    229.716  786.785    344.568  763.271    308.201  35.675  8.9364  35.422  8.1959  0.2527847      12.12567  
1 1 1 -6  88  15 o 65.094  4.0179  2353.46    281.894  2904.80    432.226  1945.36    371.866  71.520  5.6252  58.273  5.9763  13.24629       8.207270  
1 1 1 -6  88  16 o 49.299  2.3236  1326.68    124.070  1468.50    415.593  1312.80    129.998  49.298  8.0620  49.019  2.4485  0.2796326      8.425667  
1 1 1 -6  88  17 o 14.362  6.6381  -159.6624  242.602  -236.1584  432.103  -124.4497  293.169  19.048  8.8234  16.463  7.4918  2.585529       11.57499  
1 1 1 -6  88  18 o 23.807  7.8448  336.404    234.559  227.169    367.676  411.371    304.592  23.248  9.4085  26.118  8.9435  -2.870020      12.98103  
1 1 1 -6  88  19 o 62.685  2.7063  2157.59    183.744  2006.95    455.690  2186.84    200.791  57.565  7.4859  63.030  2.9412  -5.465302      8.042930  
1 1 1 -6  88  20 o 41.334  5.9459  1004.55    258.530  615.511    420.599  1240.80    327.758  30.523  10.507  45.449  6.8728  -14.92578      12.55514  
1 1 1 -6  89  1  o 63.032  3.4649  2173.28    235.640  2060.74    337.228  2280.66    329.401  61.003  5.1521  64.296  4.7640  -3.292728      7.017126  
1 1 1 -6  89  2  o 72.752  3.1404  2883.11    247.459  2562.91    352.338  3194.82    347.630  68.167  4.8029  76.292  4.2234  -8.125206      6.395687  
1 1 1 -6  89  3  f 71.651  3.2471  2797.73    251.993  2843.66    366.274  2756.45    347.233  71.835  4.7341  70.766  4.5545  1.069000       6.569271  
1 1 1 -6  89  4  o 31.206  5.6024  552.856    182.400  446.935    262.398  651.890    253.725  27.875  8.1659  33.571  7.1943  -5.695515      10.88306  
1 1 1 -6  89  5  f 54.039  3.7821  1603.13    219.971  1427.34    319.834  1760.91    303.018  50.454  5.9684  56.370  5.0155  -5.916195      7.795965  
1 1 1 -6  89  6  f 115.274 3.1600  7243.11    394.541  7456.73    561.770  7035.18    554.236  116.592 4.4486  113.225 4.5194  3.366814       6.341534  
1 1 1 -6  89  7  o 105.240 3.1282  6038.45    356.565  6262.34    505.955  5817.53    502.579  106.831 4.3726  102.925 4.5083  3.906273       6.280514  
1 1 1 -6  89  8  o 90.993  3.1602  4516.87    311.450  4660.81    440.687  4373.22    440.228  92.112  4.4172  89.066  4.5789  3.045578       6.362241  
1 1 1 -6  89  9  o 88.845  3.2046  4310.08    308.378  4567.23    459.110  4098.70    416.255  90.923  4.6778  86.195  4.4741  4.728714       6.473008  
1 1 1 -6  89  10 o 104.992 3.1448  6023.31    357.621  6008.71    512.942  6037.12    498.857  104.364 4.5378  104.667 4.4004  -0.3037186     6.321048  
1 1 1 -6  89  11 o 50.986  4.0636  1440.21    222.540  1273.11    335.704  1571.22    297.235  46.973  6.7959  52.881  5.2593  -5.908279      8.593267  
1 1 1 -6  89  12 o 53.100  3.9990  1563.67    228.307  1559.71    348.595  1566.64    302.118  52.151  6.2990  52.663  5.3719  -0.5113258     8.278584  
1 1 1 -6  89  13 o 24.975  7.4547  368.482    217.013  288.120    328.146  430.949    289.314  24.211  9.1475  26.993  8.7008  -2.782423      12.62458  
1 1 1 -6  89  14 o 22.771  7.6124  292.900    220.616  238.803    333.854  334.835    293.941  23.298  9.1152  24.674  8.7622  -1.375587      12.64367  
1 1 1 -6  89  15 o 64.032  2.7705  2244.74    192.147  2223.67    432.413  2249.93    214.486  61.935  6.5452  64.021  3.0932  -2.085732      7.239252  
1 1 1 -6  89  16 o 36.046  6.9415  775.828    261.176  610.987    454.157  857.281    319.247  31.206  10.908  37.355  8.1221  -6.149519      13.59971  
1 1 1 -6  89  17 o 77.896  3.0284  3336.35    255.506  3453.86    500.098  3294.84    297.227  77.366  6.0154  77.190  3.5551  0.1756897      6.987402  
1 1 1 -6  89  18 o 22.980  8.1843  298.106    256.625  350.882    451.255  272.878    311.986  26.311  10.502  23.152  8.8781  3.159414       13.75155  
1 1 1 -6  89  19 o 29.915  7.6193  556.584    247.550  437.334    408.141  625.984    311.360  27.212  10.219  31.228  8.8183  -4.015665      13.49760  
1 1 1 -6  90  1  o 48.065  3.9042  1271.03    201.493  1035.54    299.468  1465.82    272.364  42.667  6.7010  51.410  4.9527  -8.742168      8.332594  
1 1 1 -6  90  2  o 16.602  6.5482  89.955     173.533  37.932     256.958  133.576    235.295  18.242  7.6681  19.493  7.6451  -1.250282      10.82807  
1 1 1 -6  90  3  o 23.693  6.6492  321.495    177.599  274.084    266.310  359.470    238.337  23.425  8.3379  25.270  7.8667  -1.845650      11.46321  
1 1 1 -6  90  4  o 133.795 3.2767  9762.57    474.839  9628.25    675.461  9893.81    667.655  132.380 4.7109  134.241 4.5920  -1.861099      6.578679  
1 1 1 -6  90  5  o 118.518 3.2583  7661.77    418.252  6995.23    583.761  8364.85    599.550  112.781 4.7789  123.441 4.4843  -10.66051      6.553389  
1 1 1 -6  90  6  o 71.636  3.3211  2800.86    257.680  2916.14    370.393  2692.73    358.716  72.658  4.7324  69.796  4.7738  2.862350       6.721990  
1 1 1 -6  90  7  o 20.674  6.9733  226.772    185.147  442.095    265.567  23.136     258.260  27.628  8.2467  17.952  7.6242  9.675310       11.23104  
1 1 1 -6  90  8  o 32.727  5.7942  612.272    197.869  732.135    280.265  493.151    279.395  35.338  7.5515  28.980  8.4082  6.358059       11.30143  
1 1 1 -6  90  9  o 47.685  4.4808  1264.40    228.710  1489.57    345.289  1088.38    305.281  51.157  6.3697  43.507  6.6929  7.650181       9.239482  
1 1 1 -6  90  10 o 30.553  6.3245  543.677    202.395  392.519    295.647  677.001    277.659  26.323  8.8122  33.722  7.7628  -7.398987      11.74379  
1 1 1 -6  90  11 o 71.519  3.5376  2809.71    274.030  2939.48    406.310  2701.43    371.147  72.385  5.2175  69.493  4.9637  2.891945       7.201387  
1 1 1 -6  90  12 o 70.485  3.5675  2739.16    271.461  2634.70    417.564  2815.63    357.259  68.190  5.7061  71.019  4.6705  -2.828812      7.373848  
1 1 1 -6  90  13 o 20.921  7.4999  226.529    215.833  299.750    326.272  169.556    287.802  24.390  9.1409  21.103  8.3981  3.286692       12.41308  
1 1 1 -6  90  14 o 28.026  7.2625  472.512    222.253  410.394    330.020  524.066    300.653  26.678  9.3000  29.251  8.7844  -2.572289      12.79279  
1 1 1 -6  90  15 o 18.363  7.5169  97.949     237.930  29.194     413.065  132.088    291.065  21.578  9.4051  20.342  8.3190  1.235445       12.55635  
1 1 1 -6  90  16 o 26.776  8.0951  437.977    254.695  324.345    451.242  491.102    308.541  26.200  10.486  28.195  8.9745  -1.994997      13.80215  
1 1 1 -6  90  17 o 25.044  8.0350  378.797    246.950  156.115    401.069  514.773    313.405  22.774  9.5769  28.635  9.0375  -5.860893      13.16794  
1 1 1 -6  90  18 o 58.567  4.7754  1946.51    300.288  1552.51    505.767  2161.01    373.183  48.773  9.9121  61.152  5.7000  -12.37860      11.43417  
1 1 1 -6  90  19 o 54.750  4.9828  1711.11    292.250  1850.36    501.858  1639.65    359.493  54.179  8.8584  52.713  6.4298  1.466305       10.94590  
1 1 1 -6  91  1  o 48.093  4.2007  1276.84    216.620  1414.90    321.934  1162.61    292.825  50.162  6.0474  45.387  6.1121  4.775146       8.598212  
1 1 1 -6  91  2  o 63.650  3.4871  2218.66    239.485  2147.79    341.829  2286.97    335.622  62.223  5.1175  64.295  4.8553  -2.071705      7.054268  
1 1 1 -6  91  3  o 16.346  6.7041  56.675     189.724  47.581     258.591  67.277     279.215  18.427  7.7161  19.395  8.0609  -0.9688549     11.15871  
1 1 1 -6  91  4  o 40.591  4.5688  916.438    197.375  830.083    286.430  994.518    272.363  37.876  7.2462  41.872  6.1923  -3.996387      9.531618  
1 1 1 -6  91  5  o 132.307 3.2668  9555.31    468.139  9682.05    667.811  9432.86    656.434  132.647 4.6482  130.938 4.6287  1.709396       6.559749  
1 1 1 -6  91  6  o 39.620  4.8019  877.429    201.850  589.501    289.923  1148.28    281.194  31.567  8.3507  45.082  5.9004  -13.51456      10.22495  
1 1 1 -6  91  7  o 24.816  7.0896  357.090    200.050  278.446    273.918  446.986    292.858  23.480  8.4456  27.805  8.7307  -4.325060      12.14720  
1 1 1 -6  91  8  o 79.736  3.3549  3479.25    289.739  3317.68    418.879  3627.47    401.199  77.209  5.0366  80.926  4.5961  -3.717194      6.818470  
1 1 1 -6  91  9  o 93.261  3.2152  4760.35    324.769  4846.42    465.678  4678.84    453.162  93.588  4.5941  91.975  4.5490  1.613098       6.465186  
1 1 1 -6  91  10 o 112.157 3.2021  6891.60    388.987  6881.38    555.382  6901.45    544.988  111.391 4.6033  111.607 4.5084  -0.2158356     6.443310  
1 1 1 -6  91  11 o 96.231  3.2752  5079.79    341.372  5278.08    498.064  4904.11    468.810  97.424  4.7201  93.968  4.6062  3.456253       6.595183  
1 1 1 -6  91  12 o 96.608  3.2700  5122.13    342.167  5278.28    491.630  4975.44    476.517  97.408  4.6599  94.577  4.6518  2.831284       6.584372  
1 1 1 -6  91  13 o 35.272  5.8754  720.701    216.566  868.835    332.758  611.851    285.243  37.717  8.3647  31.633  8.2424  6.084368       11.74329  
1 1 1 -6  91  14 o 17.369  7.1187  81.752     213.718  292.675    360.388  -32.6609   265.427  24.621  9.5154  16.942  7.4576  7.679417       12.08962  
1 1 1 -6  91  15 o 23.515  8.0921  315.097    249.475  369.600    443.311  289.837    301.799  26.889  10.508  23.584  8.8008  3.304512       13.70673  
1 1 1 -6  91  16 o 36.900  6.7788  812.729    260.939  568.419    436.795  948.301    325.381  30.140  10.684  39.321  7.9141  -9.180189      13.29558  
1 1 1 -6  91  17 o 34.861  7.1901  739.026    262.468  813.345    443.991  699.102    325.418  34.763  10.723  33.070  8.8924  1.692646       13.93054  
1 1 1 -6  91  18 o 29.495  7.8320  542.200    254.404  557.455    413.127  532.882    322.887  29.579  10.400  28.951  9.1771  0.6271954      13.87005  
1 1 1 -6  92  1  o 86.481  3.1658  4080.49    296.539  4075.46    438.082  4084.75    402.866  85.915  4.7260  86.254  4.3123  -0.3389359     6.397752  
1 1 1 -6  92  2  o 97.024  3.0609  5133.89    321.657  5195.00    457.073  5073.94    452.742  97.256  4.3391  96.114  4.3491  1.142914       6.143446  
1 1 1 -6  92  3  o 62.313  3.5785  2130.33    240.506  2075.00    341.091  2185.04    339.170  61.058  5.2075  62.720  5.0352  -1.662853      7.243719  
1 1 1 -6  92  4  o 18.087  6.8571  136.642    184.792  259.074    289.121  52.083     240.277  23.356  8.6340  17.884  7.4591  5.471888       11.40981  
1 1 1 -6  92  5  o 82.283  3.1905  3698.17    284.344  4022.15    409.767  3397.30    394.891  85.358  4.4476  78.350  4.6746  7.007851       6.452402  
1 1 1 -6  92  6  o 69.702  3.3795  2658.03    255.134  2660.76    364.460  2655.42    357.276  69.191  4.8949  69.156  4.7996  0.3569031E-01  6.855342  
1 1 1 -6  92  7  o 56.024  3.7811  1730.76    228.095  1642.83    322.940  1818.30    322.212  54.001  5.6029  56.957  5.2832  -2.955650      7.700959  
1 1 1 -6  92  8  o 83.828  3.4016  3851.72    308.849  3586.07    459.074  4071.38    417.445  80.031  5.3265  85.684  4.5140  -5.652649      6.981960  
1 1 1 -6  92  9  o 86.483  3.3103  4100.63    310.078  3901.03    444.684  4289.53    432.599  83.597  4.9331  87.861  4.5616  -4.264496      6.718906  
1 1 1 -6  92  10 o 115.142 3.2250  7268.15    402.187  7412.31    574.771  7129.84    562.969  115.559 4.5922  113.339 4.5860  2.219559       6.489994  
1 1 1 -6  92  11 o 16.539  6.8637  55.759     202.016  209.357    311.439  -55.8100   265.432  22.400  8.7923  16.693  7.3972  5.707590       11.49014  
1 1 1 -6  92  12 o 73.949  3.5291  3009.34    282.658  2847.88    409.465  3156.32    390.673  71.024  5.3623  75.073  4.8302  -4.049271      7.217062  
1 1 1 -6  92  13 o 46.014  4.6810  1192.23    230.043  1304.30    351.297  1108.09    304.383  47.045  7.1167  43.510  6.6717  3.534321       9.754949  
1 1 1 -6  92  14 o 57.436  4.2259  1843.15    261.040  1603.57    412.652  2002.99    337.049  51.841  7.5726  59.380  5.2962  -7.539097      9.240944  
1 1 1 -6  92  15 o 27.878  7.4901  474.384    230.988  55.248     389.608  701.563    286.836  21.288  9.2068  33.731  7.9766  -12.44250      12.18157  
1 1 1 -6  92  16 o 31.308  7.7054  604.898    259.523  685.103    434.826  560.518    323.451  32.324  10.682  29.758  9.1480  2.565609       14.06414  
1 1 1 -6  92  17 o 44.172  6.1812  1144.76    287.624  1363.17    517.119  1046.92    346.099  45.080  10.743  41.155  8.0527  3.924328       13.42640  
1 1 1 -6  93  1  o 28.184  6.3388  461.317    188.807  610.123    270.795  320.543    263.386  32.127  7.8491  24.349  8.3167  7.777987       11.43577  
1 1 1 -6  93  2  o 36.959  4.8362  766.552    188.952  689.546    262.566  849.269    272.128  34.318  7.2889  38.339  6.8024  -4.020626      9.970001  
1 1 1 -6  93  3  o 56.775  3.5550  1771.70    217.508  1722.22    308.422  1820.66    306.789  55.515  5.1896  57.152  5.0065  -1.637066      7.210886  
1 1 1 -6  93  4  o 41.676  4.9418  973.943    218.726  764.936    318.670  1160.11    300.757  35.804  8.3678  45.079  6.3346  -9.274754      10.49513  
1 1 1 -6  93  5  o 90.537  3.1648  4481.55    310.347  4162.43    443.905  4786.67    434.054  86.619  4.7497  93.195  4.3001  -6.575356      6.407083  
1 1 1 -6  93  6  o 71.973  3.4292  2838.74    267.319  2729.13    372.646  2954.93    383.690  69.964  4.9495  72.838  4.8920  -2.873207      6.959078  
1 1 1 -6  93  7  o 64.377  3.5946  2282.61    249.642  2301.53    360.367  2265.15    346.157  64.051  5.2405  63.611  5.0662  0.4398842      7.288989  
1 1 1 -6  93  8  o 28.574  6.7173  481.938    204.389  470.510    299.710  491.874    279.452  28.149  8.8312  28.649  8.4370  -0.4997616     12.21365  
1 1 1 -6  93  9  o 70.127  3.5585  2709.10    269.400  2639.36    389.269  2773.20    373.216  68.522  5.2859  70.415  4.9245  -1.892883      7.224356  
1 1 1 -6  93  10 o 43.244  4.9465  1054.93    227.514  755.971    347.133  1280.06    301.234  35.009  9.0785  47.262  6.0215  -12.25283      10.89389  
1 1 1 -6  93  11 o 71.769  3.6166  2842.74    280.228  2947.52    420.023  2758.68    376.194  72.261  5.4058  70.109  4.9867  2.151764       7.354547  
1 1 1 -6  93  12 o 47.541  4.8844  1275.21    247.931  1313.68    387.267  1248.49    322.742  46.824  7.9184  46.281  6.6277  0.5435829      10.32606  
1 1 1 -6  93  13 o 40.500  5.3077  938.001    227.219  856.365    348.050  998.637    299.960  37.097  8.7959  41.057  6.9962  -3.959862      11.23894  
1 1 1 -6  93  14 o 16.679  7.0087  49.034     214.548  69.604     359.315  37.637     267.461  20.859  8.9288  18.051  7.7146  2.807535       11.79994  
1 1 1 -6  93  15 o 24.210  7.6580  349.973    224.928  256.757    372.942  403.266    281.988  23.943  9.5500  25.907  8.6045  -1.963715      12.85454  
1 1 1 -6  93  16 o 38.626  6.6191  887.797    266.950  1016.95    449.442  817.398    331.822  39.075  10.426  35.981  8.6264  3.093395       13.53217  
1 1 1 -6  93  17 o 26.655  8.4252  438.585    272.292  535.783    504.459  398.624    323.460  29.716  11.314  25.937  9.1937  3.778828       14.57871  
1 1 1 -6  94  1  o 48.836  4.0912  1321.04    214.405  1335.78    305.613  1306.75    300.872  48.527  5.9386  47.999  5.9123  0.5271149      8.379835  
1 1 1 -6  94  2  o 26.488  6.4162  410.145    182.133  254.351    249.020  589.349    267.076  22.398  8.0531  31.467  7.8595  -9.068396      11.25272  
1 1 1 -6  94  3  o 31.470  5.5346  567.334    181.760  672.440    259.414  465.979    254.744  33.771  7.3047  28.053  7.9955  5.717669       10.82987  
1 1 1 -6  94  4  o 21.043  7.0604  240.979    189.790  354.965    294.737  160.234    248.064  25.418  8.7929  20.171  7.8667  5.247904       11.79829  
1 1 1 -6  94  5  o 79.044  3.2453  3421.65    277.835  3491.10    398.830  3356.17    387.261  79.245  4.6673  77.713  4.6217  1.531738       6.568434  
1 1 1 -6  94  6  o 103.815 3.1956  5902.30    359.319  5633.66    517.966  6151.50    498.880  100.752 4.7466  105.477 4.3669  -4.724991      6.449762  
1 1 1 -6  94  7  o 57.352  3.7291  1816.65    230.386  1903.59    324.691  1728.50    326.952  58.189  5.2069  55.296  5.5333  2.892540       7.597973  
1 1 1 -6  94  8  o 87.732  3.3049  4221.19    314.039  4246.93    436.741  4193.64    451.883  87.359  4.6323  86.706  4.8310  0.6530457      6.693057  
1 1 1 -6  94  9  o 48.765  4.4277  1328.15    231.307  1482.86    338.107  1192.03    317.134  50.809  6.2774  45.321  6.6592  5.488430       9.151543  
1 1 1 -6  94  10 o 115.154 3.3023  7280.16    411.877  7470.58    596.024  7106.11    569.822  115.811 4.7516  113.014 4.6552  2.797462       6.651983  
1 1 1 -6  94  11 o 55.713  4.2778  1731.05    256.168  1908.68    383.448  1587.86    344.264  57.613  6.2449  52.537  6.1674  5.075909       8.776999  
1 1 1 -6  94  12 o 26.587  7.4353  425.723    222.478  458.740    343.410  401.842    292.054  27.787  9.4965  26.141  8.7585  1.645452       12.91873  
1 1 1 -6  94  13 o 24.507  7.4414  358.321    214.881  282.743    333.389  412.030    281.046  23.942  9.1784  26.245  8.5841  -2.303276      12.56698  
1 1 1 -6  94  14 f 27.620  7.4113  464.824    226.326  652.627    376.013  358.128    283.417  31.921  9.8717  24.863  8.6211  7.058342       13.10628  
1 1 1 -6  94  15 o 48.014  4.9385  1311.60    253.160  1303.37    408.902  1316.72    322.376  45.802  8.5573  47.331  6.4569  -1.529568      10.72002  
1 1 1 -6  94  16 o 78.486  3.9647  3434.09    335.940  3536.94    536.898  3367.92    430.659  77.893  6.4211  76.943  5.1982  0.9507217      8.261454  
1 1 1 -6  95  1  o 39.141  4.8110  861.765    199.663  715.615    311.781  963.371    259.963  34.436  8.4277  41.007  6.0334  -6.570683      10.36471  
1 1 1 -6  95  2  o 37.958  4.7521  810.525    191.090  742.778    278.865  870.496    262.373  35.396  7.5066  38.782  6.4746  -3.385323      9.913103  
1 1 1 -6  95  3  o 23.810  6.8572  330.814    186.442  338.205    254.327  322.228    274.122  24.511  8.1731  24.341  8.4764  0.1703815      11.77489  
1 1 1 -6  95  4  o 67.492  3.5146  2506.83    256.031  2564.13    381.133  2459.72    345.629  67.610  5.2458  66.382  4.8405  1.227852       7.137849  
1 1 1 -6  95  5  o 97.624  3.2703  5222.75    345.794  5204.49    479.243  5242.58    499.435  96.914  4.5656  97.179  4.7450  -0.2657242     6.584829  
1 1 1 -6  95  6  o 58.051  3.7065  1860.55    231.832  1392.29    327.865  2328.77    327.854  49.271  6.2870  64.607  4.7178  -15.33639      7.860327  
1 1 1 -6  95  7  o 85.262  3.2013  3983.74    295.630  3731.69    416.069  4240.74    420.128  81.836  4.7141  87.385  4.4537  -5.549080      6.485180  
1 1 1 -6  95  8  o 89.830  3.2277  4424.86    314.044  4241.73    445.274  4606.11    442.986  87.216  4.7314  91.126  4.4882  -3.910309      6.521539  
1 1 1 -6  95  9  o 56.818  4.2599  1797.59    260.243  2091.39    413.113  1604.28    335.093  60.307  6.4235  52.974  5.9428  7.332802       8.750859  
1 1 1 -6  95  10 o 37.832  5.5414  820.966    220.332  789.640    320.014  849.200    303.810  35.937  8.3764  37.586  7.7211  -1.649689      11.39214  
1 1 1 -6  95  11 o 24.639  7.7151  358.528    228.866  127.065    362.633  511.757    295.051  21.911  9.1531  28.914  8.7064  -7.003471      12.63249  
1 1 1 -6  95  12 o 67.571  3.9457  2537.17    287.516  2564.02    420.631  2513.61    393.901  66.922  5.8622  66.457  5.5224  0.4645920      8.053709  
1 1 1 -6  95  13 o 23.935  7.8568  335.814    235.364  107.658    423.211  437.978    283.199  22.713  9.7055  26.864  8.6030  -4.150988      12.96952  
1 1 1 -6  95  14 o 20.602  7.5848  217.542    222.722  292.503    374.902  176.656    276.878  24.577  9.6467  20.748  8.2433  3.829744       12.68902  
1 1 1 -6  95  15 o 32.367  6.9630  632.576    236.855  683.624    393.872  603.658    296.445  32.431  10.116  30.993  8.5520  1.438129       13.24626  
1 1 1 -6  96  1  o 57.568  3.8280  1831.20    237.327  1856.46    349.742  1809.65    323.101  57.280  5.7136  56.707  5.3229  0.5736389      7.808854  
1 1 1 -6  96  2  f 87.725  3.2500  4216.01    308.803  3990.70    443.371  4428.27    430.348  84.624  4.8577  89.462  4.4413  -4.838455      6.581970  
1 1 1 -6  96  3  o 120.291 3.1877  7924.65    415.315  7495.37    588.697  8350.01    585.999  116.243 4.6758  122.856 4.4038  -6.612900      6.423131  
1 1 1 -6  96  4  o 44.180  4.5904  1092.87    216.454  1001.64    329.337  1162.24    287.195  41.113  7.6782  45.062  6.0360  -3.948624      9.766667  
1 1 1 -6  96  5  o 128.072 3.2666  8991.00    453.128  8607.33    645.136  9364.57    636.588  124.454 4.7860  129.991 4.5214  -5.537270      6.584002  
1 1 1 -6  96  6  o 137.690 3.3230  10400.16   495.572  10202.08   702.203  10596.71   699.495  135.445 4.7866  138.122 4.6757  -2.677628      6.691370  
1 1 1 -6  96  7  o 76.571  3.3869  3219.27    280.890  3092.73    386.578  3360.80    408.832  74.387  4.8242  77.521  4.8943  -3.133987      6.872184  
1 1 1 -6  96  8  o 47.460  4.5509  1261.99    231.066  1219.04    343.823  1297.35    312.038  45.534  7.2118  47.463  6.2195  -1.929291      9.523291  
1 1 1 -6  96  9  o 15.361  6.6656  -9.9565    205.595  -240.1429  321.370  149.524    267.497  16.187  7.5359  20.232  8.0821  -4.044870      11.05030  
1 1 1 -6  96  10 o 36.893  6.0764  791.650    234.349  928.229    343.801  673.115    320.286  38.934  8.3994  32.934  8.8078  6.000328       12.17073  
1 1 1 -6  96  11 f 60.929  4.0794  2067.24    267.653  1981.74    401.447  2135.66    359.117  58.475  6.4456  61.277  5.4683  -2.801998      8.452704  
1 1 1 -6  96  12 f 27.414  7.3091  455.373    220.986  601.423    351.386  359.813    284.231  30.905  9.5406  24.974  8.6350  5.930685       12.86801  
1 1 1 -6  96  13 o 64.186  4.2025  2303.14    290.548  2542.15    492.414  2175.49    359.870  65.677  7.0315  61.730  5.4380  3.947033       8.888993  
1 1 1 -6  96  14 o 51.633  4.8718  1511.18    269.232  1643.86    461.179  1442.58    331.605  51.662  8.5404  49.713  6.2999  1.948257       10.61260  
1 1 1 -6  96  15 o 37.905  6.3912  848.643    253.061  799.826    451.726  870.971    305.499  34.664  10.837  37.733  7.7349  -3.068367      13.31391  
1 1 1 -6  97  1  o 36.078  5.2395  740.333    198.751  679.284    286.932  796.641    275.565  33.602  7.9992  36.752  7.1802  -3.149826      10.74902  
1 1 1 -6  97  2  o 64.539  3.6712  2297.34    255.563  2120.41    373.840  2452.58    350.163  61.214  5.7042  66.223  4.9170  -5.009422      7.530925  
1 1 1 -6  97  3  o 77.663  3.1931  3304.74    268.594  3292.04    382.008  3317.17    377.727  76.905  4.6074  77.231  4.5355  -0.3259125     6.465190  
1 1 1 -6  97  4  o 92.565  3.2285  4696.64    323.685  4744.74    457.323  4648.35    458.197  92.484  4.5655  91.395  4.6440  1.089706       6.512312  
1 1 1 -6  97  5  o 36.711  5.2438  767.323    202.578  638.739    295.206  881.765    278.500  32.418  8.3550  38.781  6.8824  -6.363384      10.82471  
1 1 1 -6  97  6  o 74.830  3.3252  3073.51    269.502  2665.76    381.159  3481.16    381.108  68.877  5.1465  79.097  4.4668  -10.21964      6.814600  
1 1 1 -6  97  7  o 36.630  5.7485  772.512    220.561  990.151    341.265  616.388    289.039  40.561  8.0521  31.802  8.3022  8.758991       11.56558  
1 1 1 -6  97  8  o 36.645  5.4297  769.450    208.987  743.236    297.383  795.028    293.754  34.993  8.0181  36.351  7.7005  -1.357544      11.11700  
1 1 1 -6  97  9  o 54.363  4.2647  1649.50    249.093  1796.60    378.564  1537.18    330.791  55.764  6.3827  51.716  6.0180  4.047840       8.772461  
1 1 1 -6  97  10 o 36.173  6.2370  765.476    235.538  723.109    345.247  802.365    322.154  33.941  9.1731  36.092  8.3987  -2.151165      12.43722  
1 1 1 -6  97  11 o 32.571  6.8938  634.660    235.616  843.144    355.122  470.714    314.913  36.646  9.0102  27.833  9.0857  8.813726       12.79586  
1 1 1 -6  97  12 o 54.313  4.4992  1658.34    262.290  1912.85    429.452  1506.91    331.250  56.873  7.1282  50.974  6.1223  5.899719       9.396523  
1 1 1 -6  97  13 o 38.384  6.1887  863.582    248.538  827.519    427.117  882.044    305.607  35.507  10.423  38.073  7.6761  -2.565788      12.94463  
1 1 1 -6  97  14 o 62.079  4.3111  2159.48    288.071  2494.32    485.221  1977.21    357.988  65.039  6.9981  58.656  5.7072  6.383224       9.030275  
1 1 1 -6  98  1  o 29.097  6.0997  494.895    186.087  544.267    279.275  455.471    249.560  29.989  8.3107  27.591  7.9297  2.397591       11.48683  
1 1 1 -6  98  2  o 24.467  6.7739  352.828    185.634  599.273    278.007  154.535    249.374  31.468  8.1068  19.974  7.8588  11.49423       11.29070  
1 1 1 -6  98  3  o 34.014  6.4639  676.706    229.427  803.913    330.866  558.896    318.411  36.316  8.5529  30.302  9.0265  6.013678       12.43506  
1 1 1 -6  98  4  o 96.892  3.2173  5148.04    337.640  5038.25    493.446  5244.70    462.998  95.016  4.8105  97.276  4.3944  -2.260040      6.515517  
1 1 1 -6  98  5  o 65.880  3.5298  2393.22    250.954  2373.12    362.248  2411.78    347.986  64.933  5.1942  65.583  4.9351  -0.6492844     7.164863  
1 1 1 -6  98  6  o 149.767 3.4626  12332.68   561.688  11825.87   788.477  12854.86   800.349  145.471 5.0043  151.794 4.8680  -6.322983      6.981454  
1 1 1 -6  98  7  o 50.839  4.3879  1445.19    239.247  1501.93    336.466  1387.17    340.260  51.056  6.2125  48.858  6.5987  2.198357       9.063043  
1 1 1 -6  98  8  o 42.761  4.9827  1036.03    226.441  1146.01    310.137  910.450    331.391  44.273  6.6750  38.682  8.1661  5.590767       10.54711  
1 1 1 -6  98  9  o 27.892  6.9701  466.780    209.975  523.515    307.492  417.209    287.421  29.184  8.9107  26.487  8.6817  2.697071       12.44076  
1 1 1 -6  98  10 o 43.703  5.0676  1085.91    235.420  1161.06    333.627  1011.38    332.247  44.197  7.2187  40.903  7.7839  3.293674       10.61601  
1 1 1 -6  98  11 o 77.135  3.7311  3291.32    311.712  3577.85    465.457  3058.33    419.735  79.322  5.4508  73.399  5.3158  5.923088       7.613743  
1 1 1 -6  98  12 o 40.858  5.7421  965.789    247.096  846.085    415.795  1031.15    307.233  36.051  10.194  41.596  7.0726  -5.545506      12.40723  
1 1 1 -6  98  13 o 35.008  6.7592  731.212    247.011  423.466    428.987  883.851    302.121  27.565  10.448  38.166  7.5759  -10.60098      12.90594  
1 1 1 -6  99  1  o 52.809  4.1185  1550.52    233.706  1490.58    343.194  1602.34    319.135  50.873  6.3679  53.103  5.6347  -2.230106      8.502951  
1 1 1 -6  99  2  o 91.949  3.2237  4637.49    321.046  4672.00    454.330  4603.07    453.727  91.702  4.5743  90.890  4.6243  0.8111877      6.504458  
1 1 1 -6  99  3  o 28.331  6.5856  474.949    198.244  645.132    303.163  347.811    262.032  32.477  8.5143  24.700  8.2960  7.777374       11.88772  
1 1 1 -6  99  4  o 29.863  6.2463  523.734    195.540  437.013    285.593  600.266    268.289  27.106  8.6350  31.480  7.8854  -4.374094      11.69369  
1 1 1 -6  99  5  o 44.344  4.8972  1110.12    231.283  1120.50    311.266  1097.32    345.587  43.771  6.7852  42.857  7.7294  0.9141693      10.28508  
1 1 1 -6  99  6  o 74.267  3.4247  3033.69    275.481  2815.03    379.349  3277.66    400.705  70.780  4.9801  76.461  4.8638  -5.681000      6.961170  
1 1 1 -6  99  7  o 74.356  3.4482  3042.95    277.702  2796.14    402.443  3267.29    383.687  70.325  5.3230  76.416  4.6580  -6.091118      7.073259  
1 1 1 -6  99  8  o 52.414  4.1256  1532.28    232.314  1505.82    331.746  1557.74    325.428  51.091  6.1166  52.097  5.8695  -1.006241      8.477291  
1 1 1 -6  99  9  o 56.327  4.2987  1773.95    260.276  1522.58    357.312  2058.10    379.897  51.075  6.6145  59.876  5.9361  -8.801540      8.887569  
1 1 1 -6  99  10 o 28.580  7.4425  496.605    232.659  606.648    346.138  405.914    314.231  31.039  9.4490  26.296  9.0800  4.742390       13.10456  
1 1 1 -6  99  11 o 39.274  6.2147  901.976    255.563  820.339    363.681  981.616    359.202  35.968  9.2754  39.788  8.5870  -3.820278      12.64003  
1 1 1 -6  99  12 f 42.109  5.5900  1021.62    248.649  1035.43    421.478  1014.25    307.946  40.143  9.7832  41.203  7.1603  -1.059994      12.12356  
1 1 1 -6  100 1  o 69.353  3.5500  2653.68    265.767  2302.06    386.665  2968.55    365.897  63.673  5.6660  72.887  4.6592  -9.214680      7.335640  
1 1 1 -6  100 2  o 64.938  3.6090  2329.02    252.837  2292.40    359.217  2364.98    355.936  63.741  5.2499  64.814  5.1118  -1.073818      7.327443  
1 1 1 -6  100 3  o 76.147  3.2800  3184.40    270.518  3100.21    388.223  3263.86    377.156  74.383  4.8452  76.466  4.5749  -2.082924      6.663746  
1 1 1 -6  100 4  o 105.602 3.2916  6126.16    376.486  6189.35    524.849  6059.19    540.352  105.438 4.5958  104.203 4.7877  1.235580       6.636559  
1 1 1 -6  100 5  o 74.390  3.3795  3043.07    272.292  2823.85    392.170  3247.12    378.360  70.787  5.1504  76.223  4.6046  -5.436119      6.908585  
1 1 1 -6  100 6  o 55.415  3.8501  1704.72    229.647  1834.90    324.283  1573.76    325.260  56.884  5.3253  52.414  5.8281  4.469933       7.894649  
1 1 1 -6  100 7  o 75.802  3.4323  3163.55    281.798  2782.22    408.031  3511.31    389.649  70.052  5.4200  79.246  4.5589  -9.193695      7.082348  
1 1 1 -6  100 8  o 27.227  7.1988  447.164    215.527  437.048    331.434  454.576    283.705  27.173  9.3285  27.370  8.5931  -0.1969147     12.68315  
1 1 1 -6  100 9  o 46.471  5.1962  1229.47    257.060  1358.02    368.280  1107.33    358.975  47.774  7.3531  42.674  8.0621  5.100079       10.91171  
1 1 1 -6  100 10 f 66.185  3.9668  2436.28    283.047  2568.92    391.339  2290.78    409.881  67.218  5.4214  63.073  6.0751  4.145248       8.142342  
1 1 1 -6  100 11 o 59.489  4.2658  1978.73    273.035  1960.02    376.905  1999.40    396.066  58.295  6.0579  58.724  6.3270  -0.4288940     8.759485  
1 1 1 -6  101 1  o 147.844 3.4257  12023.61   548.561  11647.02   775.890  12399.99   775.675  144.285 4.9649  149.027 4.8056  -4.741623      6.909677  
1 1 1 -6  101 2  o 57.066  3.8789  1807.05    238.323  1902.97    362.898  1734.31    316.022  57.688  5.8907  55.310  5.3417  2.377766       7.951959  
1 1 1 -6  101 3  o 56.586  4.0726  1781.58    247.936  1872.68    337.731  1675.09    365.138  57.408  5.4989  53.833  6.3870  3.575245       8.428012  
1 1 1 -6  101 4  o 76.768  3.3277  3239.99    276.691  3257.40    399.626  3223.95    383.474  76.188  4.8683  75.890  4.6883  0.2980499      6.758701  
1 1 1 -6  101 5  o 50.542  4.1661  1425.70    226.028  1251.79    327.709  1583.50    312.160  46.246  6.7408  52.700  5.5525  -6.453953      8.733131  
1 1 1 -6  101 6  o 52.198  4.0010  1517.48    224.482  1532.62    317.056  1502.27    317.878  51.714  5.7583  51.154  5.8421  0.5601311      8.202920  
1 1 1 -6  101 7  o 62.586  3.7720  2172.43    254.502  2180.69    370.570  2165.05    350.140  61.850  5.5922  61.791  5.2825  0.5904770E-01  7.692681  
1 1 1 -6  101 8  o 30.167  7.1456  548.335    229.886  487.774    314.985  617.359    336.274  28.278  9.0748  31.393  9.2579  -3.115356      12.96381  
1 1 1 -6  101 9  o 68.024  3.8695  2569.10    283.914  2638.79    392.914  2492.94    410.708  68.184  5.3637  66.006  5.8038  2.177773       7.902779  
1 1 1 -6  102 1  o 25.687  6.1549  390.026    168.996  388.647    226.096  391.772    254.391  25.507  7.6082  25.689  8.1460  -0.1821022     11.14640  
1 1 1 -6  102 2  o 85.460  3.4259  4019.76    317.109  4169.64    450.164  3872.12    446.777  86.229  4.8395  82.995  4.9934  3.233955       6.953759  
1 1 1 -6  102 3  o 87.636  3.2641  4221.39    309.821  4285.31    450.262  4163.91    426.973  87.450  4.7718  86.310  4.5838  1.139137       6.616749  
1 1 1 -6  102 4  o 29.787  6.3757  525.031    199.484  660.276    292.322  407.159    272.903  32.771  8.2433  26.157  8.4524  6.614368       11.80654  
1 1 1 -6  102 5  o 58.198  3.8293  1880.00    240.029  1555.86    347.032  2177.29    332.349  51.837  6.3113  62.142  4.9797  -10.30569      8.039273  
1 1 1 -6  102 6  o 82.924  3.2663  3780.53    293.361  3713.50    415.024  3847.45    414.725  81.398  4.7279  82.911  4.6369  -1.512482      6.622161  
1 1 1 -6  102 7  f 70.633  3.6559  2760.74    278.726  2853.12    393.736  2667.93    394.622  71.074  5.1497  68.605  5.3531  2.469383       7.427993  
1 1 1 -6  102 8  o 40.847  5.3801  955.490    232.232  795.391    331.785  1109.26    325.165  35.784  8.6550  43.205  7.2022  -7.420673      11.25966  
1 1 1 -6  103 1  o 21.892  7.6953  259.681    226.181  521.869    391.064  127.889    277.260  29.422  10.131  19.990  8.1407  9.432003       12.99654  
1 1 1 -6  103 2  f 22.270  7.0535  286.916    190.774  269.570    284.877  301.019    256.880  23.023  8.5586  23.357  8.2014  -0.3332977     11.85379  
1 1 1 -6  103 3  o 20.578  7.2173  226.645    198.903  489.887    310.105  42.653     259.257  28.382  8.9933  17.978  7.6371  10.40396       11.79847  
1 1 1 -6  103 4  o 68.121  3.6132  2565.86    265.641  2256.25    395.647  2819.99    358.448  62.804  5.8849  70.933  4.6921  -8.129055      7.526497  
1 1 1 -6  103 5  o 103.579 3.3137  5900.34    371.751  5573.04    516.052  6253.42    535.984  99.848  4.7718  105.834 4.6758  -5.985344      6.680822  
1 1 1 -6  103 6  f 75.799  3.5116  3166.08    288.295  2960.24    387.169  3422.24    431.913  72.524  4.9586  77.887  5.1489  -5.363098      7.148396  
1 1 1 -6  104 1  o 90.475  3.1993  4496.18    313.511  4439.46    454.296  4547.75    433.199  89.053  4.7269  90.415  4.4236  -1.362656      6.473965  
1 1 1 -6  104 2  o 84.206  3.2520  3896.54    296.598  3997.12    429.472  3804.83    410.104  84.496  4.7115  82.492  4.6084  2.004951       6.590593  
1 1 1 -6  104 3  o 48.741  4.7544  1338.31    247.792  1402.79    347.679  1271.74    353.249  49.006  6.7278  46.346  7.2769  2.660442       9.910438  
1 1 1 -5  0   1  o 30.183  3.2775  510.637    103.942  510.637    103.942  510.637    103.942  30.183  3.2775  30.183  3.2775  0.000000       0.000000  
1 1 1 -5  0   2  o 137.042 4.2537  10202.10   630.004  10202.10   630.004  10202.10   630.004  137.042 4.2537  137.042 4.2537  -0.000000      0.000000  
1 1 1 -5  0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   4  o 520.731 17.511  147983.20  9850.72  147983.20  9850.72  147983.20  9850.72  520.731 17.511  520.731 17.511  -0.000000      0.000000  
1 1 1 -5  0   5  o 274.038 6.9253  40779.74   2052.54  40779.74   2052.54  40779.74   2052.54  274.038 6.9253  274.038 6.9253  -0.000000      0.000000  
1 1 1 -5  0   6  o 618.201 20.690  209223.70  13818.24 209223.70  13818.24 209223.70  13818.24 618.201 20.690  618.201 20.690  -0.000000      0.000000  
1 1 1 -5  0   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   8  o 663.752 22.119  240744.09  15861.29 240744.09  15861.29 240744.09  15861.29 663.752 22.119  663.752 22.119  -0.000000      0.000000  
1 1 1 -5  0   9  o 753.596 25.008  310249.31  20361.23 310249.31  20361.23 310249.31  20361.23 753.596 25.008  753.596 25.008  -0.000000      0.000000  
1 1 1 -5  0   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   11 o 526.492 12.443  150553.59  7086.40  150553.59  7086.40  150553.59  7086.40  526.492 12.443  526.492 12.443  0.000000       0.000000  
1 1 1 -5  0   12 o 57.462  4.0256  1814.60    247.719  1814.60    247.719  1814.60    247.719  57.462  4.0256  57.462  4.0256  -0.000000      0.000000  
1 1 1 -5  0   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   14 o 57.210  4.4828  1805.36    273.851  1805.36    273.851  1805.36    273.851  57.210  4.4828  57.210  4.4828  -0.000000      0.000000  
1 1 1 -5  0   15 o 163.281 4.8598  14481.71   857.739  14481.71   857.739  14481.71   857.739  163.281 4.8598  163.281 4.8598  0.000000       0.000000  
1 1 1 -5  0   16 o 417.928 11.697  95067.52   5285.30  95067.52   5285.30  95067.52   5285.30  417.928 11.697  417.928 11.697  0.000000       0.000000  
1 1 1 -5  0   17 o 44.188  5.2179  1101.62    240.582  1101.62    240.582  1101.62    240.582  44.188  5.2179  44.188  5.2179  0.000000       0.000000  
1 1 1 -5  0   18 o 323.860 8.0085  57015.46   2805.31  57015.46   2805.31  57015.46   2805.31  323.860 8.0085  323.860 8.0085  -0.000000      0.000000  
1 1 1 -5  0   19 o 53.548  4.7073  1589.77    268.163  1589.77    268.163  1589.77    268.163  53.548  4.7073  53.548  4.7073  0.000000       0.000000  
1 1 1 -5  0   20 o 727.738 17.149  290738.31  13500.53 290738.31  13500.53 290738.31  13500.53 727.738 17.149  727.738 17.149  0.000000       0.000000  
1 1 1 -5  0   21 o 314.045 7.8192  53660.24   2655.93  53660.24   2655.93  53660.24   2655.93  314.045 7.8192  314.045 7.8192  -0.000000      0.000000  
1 1 1 -5  0   22 o 260.561 6.7135  36928.96   1891.81  36928.96   1891.81  36928.96   1891.81  260.561 6.7135  260.561 6.7135  -0.000000      0.000000  
1 1 1 -5  0   23 o 67.034  4.4545  2468.60    320.138  2468.60    320.138  2468.60    320.138  67.034  4.4545  67.034  4.4545  0.000000       0.000000  
1 1 1 -5  0   24 o 194.880 5.4515  20665.78   1148.63  20665.78   1148.63  20665.78   1148.63  194.880 5.4515  194.880 5.4515  -0.000000      0.000000  
1 1 1 -5  0   25 o 61.435  4.6516  2083.84    305.438  2083.84    305.438  2083.84    305.438  61.435  4.6516  61.435  4.6516  -0.000000      0.000000  
1 1 1 -5  0   26 o 143.905 4.6209  11288.81   718.550  11288.81   718.550  11288.81   718.550  143.905 4.6209  143.905 4.6209  0.000000       0.000000  
1 1 1 -5  0   27 o 76.612  3.3311  3204.65    275.220  3204.65    275.220  3204.65    275.220  76.612  3.3311  76.612  3.3311  0.000000       0.000000  
1 1 1 -5  0   28 o 111.241 4.5280  6774.62    543.508  6774.62    543.508  6774.62    543.508  111.241 4.5280  111.241 4.5280  0.000000       0.000000  
1 1 1 -5  0   29 o 35.019  9.0764  799.398    297.504  799.398    297.504  799.398    297.504  35.019  9.0764  35.019  9.0764  0.000000       0.000000  
1 1 1 -5  0   30 o 85.922  3.6164  4043.05    335.193  4043.05    335.193  4043.05    335.193  85.922  3.6164  85.922  3.6164  0.000000       0.000000  
1 1 1 -5  0   31 o 19.356  10.196  314.519    284.262  314.519    284.262  314.519    284.262  19.356  10.196  19.356  10.196  0.000000       0.000000  
1 1 1 -5  0   32 o 15.627  9.3759  159.101    284.880  159.101    284.880  159.101    284.880  15.627  9.3759  15.627  9.3759  0.000000       0.000000  
1 1 1 -5  0   33 o 17.380  3.1742  180.251    53.856   180.251    53.856   180.251    53.856   17.380  3.1742  17.380  3.1742  0.000000       0.000000  
1 1 1 -5  0   34 o 22.643  10.736  462.803    299.198  462.803    299.198  462.803    299.198  22.643  10.736  22.643  10.736  -0.000000      0.000000  
1 1 1 -5  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  1   1  o 368.154 7.2490  73482.59   2890.55  78357.63   5006.97  71045.65   3540.04  379.783 12.172  361.886 9.0316  17.89749       15.15695  
1 1 1 -5  1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  1   3  o 277.484 4.9195  41722.77   1478.53  42827.29   2091.00  40618.33   2090.93  281.053 6.8690  273.701 7.0533  7.352661       9.845443  
1 1 1 -5  1   4  o 94.438  2.5469  4830.72    260.517  5145.07    369.059  4518.52    367.797  97.454  3.4964  91.326  3.7183  6.128487       5.104011  
1 1 1 -5  1   5  o 380.754 6.4873  78622.68   2675.32  79162.47   3089.23  77003.47   5350.47  381.970 7.4671  375.983 13.139  5.986938       15.11234  
1 1 1 -5  1   6  o 147.897 3.1637  11849.92   506.785  11693.14   716.610  12006.79   716.795  146.889 4.5043  148.847 4.4461  -1.958328      6.329026  
1 1 1 -5  1   7  o 632.309 12.033  217491.50  8240.73  221093.80  10092.74 210286.70  14273.50 636.844 14.632  618.809 21.296  18.03510       25.83853  
1 1 1 -5  1   8  o 537.605 8.9340  156811.00  5202.11  152673.59  10403.73 158190.30  6006.98  528.927 18.160  539.803 10.274  -10.87610      20.86523  
1 1 1 -5  1   9  f 473.786 7.9124  121697.40  4060.32  120952.10  8120.23  121945.80  4688.53  471.547 15.899  474.183 9.1290  -2.635834      18.33357  
1 1 1 -5  1   10 o 351.142 6.9743  66824.38   2652.50  68034.67   4594.13  66219.19   3248.68  354.047 11.980  349.481 8.5825  4.566254       14.73737  
1 1 1 -5  1   11 o 686.345 13.066  255812.59  9712.88  259632.59  16823.16 253902.59  11895.82 689.583 22.524  683.296 16.074  6.287170       27.67140  
1 1 1 -5  1   12 o 70.036  2.7247  2656.65    206.682  2773.71    292.202  2539.45    292.383  71.457  3.7890  68.353  3.9664  3.103951       5.485298  
1 1 1 -5  1   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  1   14 o 360.631 6.1969  70496.59   2420.50  70559.66   3423.25  70433.53   3422.97  360.626 8.7642  360.303 8.7713  0.3230591      12.39948  
1 1 1 -5  1   15 o 204.362 3.9233  22628.15   868.404  22422.78   1228.04  22833.58   1228.18  203.383 5.5748  205.239 5.5250  -1.856369      7.848789  
1 1 1 -5  1   16 o 205.642 3.9493  22915.70   879.634  22385.14   1243.90  23446.40   1244.08  203.182 5.6524  207.948 5.5236  -4.766495      7.903138  
1 1 1 -5  1   17 o 214.027 4.3035  24830.45   997.601  24623.01   1328.90  25098.28   1510.03  213.051 5.7589  215.049 6.4830  -1.997940      8.671471  
1 1 1 -5  1   18 o 213.199 4.2463  24642.72   980.534  23688.41   1484.55  25381.20   1305.93  208.872 6.5621  216.285 5.5747  -7.412918      8.610407  
1 1 1 -5  1   19 o 137.546 3.1678  10252.99   471.922  9512.28    682.356  10932.14   653.382  132.424 4.7574  141.988 4.2486  -9.563049      6.378391  
1 1 1 -5  1   20 o 217.979 4.1180  25767.68   972.235  24597.86   1373.26  26943.26   1376.64  212.812 5.9578  222.754 5.7059  -9.941620      8.249419  
1 1 1 -5  1   21 o 133.514 3.1351  9662.43    453.366  9551.80    641.118  9773.09    641.196  132.685 4.4611  134.216 4.4108  -1.530914      6.273484  
1 1 1 -5  1   22 o 197.908 4.0147  21248.00   860.563  20411.79   1290.75  21917.14   1154.64  193.749 6.1508  200.870 5.3071  -7.121231      8.123912  
1 1 1 -5  1   23 o 182.843 3.8411  18139.11   760.680  17081.14   1136.95  18996.46   1023.50  177.201 5.9239  186.986 5.0537  -9.784622      7.786661  
1 1 1 -5  1   24 o 37.099  4.3502  757.860    171.482  801.696    241.917  713.589    243.112  37.890  6.1021  35.624  6.5419  2.266338       8.946043  
1 1 1 -5  1   25 o 191.971 3.7988  20024.05   789.870  20273.31   1118.85  19776.40   1115.24  192.846 5.3566  190.457 5.4064  2.389725       7.610655  
1 1 1 -5  1   26 o 39.072  1.5605  827.423    66.041   1230.65    249.822  797.127    68.477   47.226  4.9580  38.349  1.6486  8.877403       5.224960  
1 1 1 -5  1   27 o 135.071 3.3515  9931.46    490.309  10323.87   701.417  9556.49    685.655  137.366 4.7144  132.140 4.7907  5.225739       6.721342  
1 1 1 -5  1   28 o 92.362  3.2010  4647.53    320.221  4724.04    452.240  4570.60    453.484  92.851  4.4969  91.193  4.6062  1.658096       6.437318  
1 1 1 -5  1   29 o 52.893  2.3050  1521.12    132.048  1505.87    144.569  1597.89    324.367  52.605  2.5373  53.393  5.6969  -0.7880249     6.236416  
1 1 1 -5  1   30 o 41.450  1.2217  931.740    54.846   1002.08    77.539   861.310    77.589   42.961  1.6664  39.821  1.7989  3.140072       2.452144  
1 1 1 -5  1   31 o 44.488  4.6744  1110.08    221.867  1089.42    312.563  1131.08    314.987  43.220  6.9098  44.095  6.8150  -0.8754845     9.705175  
1 1 1 -5  1   32 o 84.607  3.3280  3937.82    304.972  3634.92    430.233  4243.73    432.366  80.389  4.9656  87.108  4.5990  -6.719437      6.768139  
1 1 1 -5  1   33 o 60.736  2.4847  2019.96    163.450  1868.77    352.274  2061.44    184.514  56.798  5.8081  61.271  2.7804  -4.473190      6.439260  
1 1 1 -5  1   34 o 31.450  6.5163  613.091    214.671  807.683    303.466  418.177    303.717  35.067  8.1455  25.338  8.9164  9.729910       12.07695  
1 1 1 -5  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   1  o 489.598 16.447  130567.80  8721.50  0.0000     0.0000   130567.80  8721.50  ?       ?       489.598 16.447  0.000000       16.44681  
1 1 1 -5  2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   3  o 417.555 7.0598  94537.31   3192.85  93834.66   4515.29  95240.02   4515.45  415.739 10.028  418.849 9.9535  -3.109344      14.12881  
1 1 1 -5  2   4  o 168.246 3.3947  15334.71   618.603  15384.76   875.072  15284.72   874.602  168.493 4.7950  167.944 4.8081  0.5490265      6.790473  
1 1 1 -5  2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   6  o 360.307 6.1516  70399.13   2400.67  70791.16   2772.06  69223.06   4801.28  361.231 7.0851  356.552 12.433  4.679047       14.30981  
1 1 1 -5  2   7  o 526.837 8.7466  150665.70  4990.96  142961.30  9981.22  153234.30  5763.20  511.244 18.025  531.114 10.019  -19.87021      20.62248  
1 1 1 -5  2   8  o 240.801 4.4180  31416.27   1152.27  32417.33   2304.79  31082.69   1330.47  244.449 8.7051  239.501 5.1289  4.947937       10.10371  
1 1 1 -5  2   9  f 245.648 4.4239  32690.08   1177.04  29958.37   2353.66  33601.09   1359.21  235.026 9.2461  249.035 5.0391  -14.00943      10.53011  
1 1 1 -5  2   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   11 o 555.747 9.2069  167490.50  5541.96  160785.20  7837.27  174196.59  7837.75  544.105 13.299  566.405 12.776  -22.30023      18.44134  
1 1 1 -5  2   12 o 751.387 13.424  306719.50  10924.65 308916.50  16996.23 305172.81  14260.82 752.394 20.856  748.643 17.587  3.751465       27.28182  
1 1 1 -5  2   13 o 523.847 17.548  149522.00  9956.54  0.0000     0.0000   149522.00  9956.54  ?       ?       523.847 17.548  0.000000       17.54824  
1 1 1 -5  2   14 o 235.163 4.3420  29962.39   1105.93  30003.04   1564.60  29921.80   1563.44  235.269 6.1400  234.950 6.1438  0.3188629      8.685929  
1 1 1 -5  2   15 o 412.855 7.0053  92448.40   3132.51  91894.04   4430.25  93002.65   4429.84  411.296 9.9450  413.777 9.8844  -2.481232      14.02157  
1 1 1 -5  2   16 o 297.294 5.5830  47923.93   1797.73  48247.32   2760.89  47685.89   2368.69  298.047 8.5525  296.418 7.3779  1.629028       11.29510  
1 1 1 -5  2   17 o 251.131 4.5684  34190.21   1242.61  33643.27   1757.57  34736.83   1757.07  248.977 6.5175  253.000 6.4121  -4.022873      9.142915  
1 1 1 -5  2   18 o 158.677 3.5430  13645.91   608.915  13477.13   825.495  13847.34   901.830  157.641 4.8348  159.773 5.2114  -2.132095      7.108659  
1 1 1 -5  2   19 o 235.148 4.3623  29985.95   1111.03  29562.83   1570.18  30410.22   1572.30  233.318 6.2134  236.647 6.1343  -3.328629      8.731330  
1 1 1 -5  2   20 o 166.219 3.4685  14977.25   624.438  15347.82   881.398  14603.82   884.790  168.184 4.8386  164.048 4.9797  4.136414       6.943242  
1 1 1 -5  2   21 o 187.659 3.7428  19095.95   760.729  19889.06   1074.35  18298.45   1077.32  191.402 5.1824  183.568 5.4185  7.834320       7.497799  
1 1 1 -5  2   22 o 295.786 5.5867  47539.02   1789.81  47258.25   2358.94  47919.93   2747.63  294.541 7.3944  296.301 8.5616  -1.759949      11.31272  
1 1 1 -5  2   23 o 114.601 3.0081  7120.64    373.381  7265.83    531.330  6978.99    524.811  115.697 4.2401  113.389 4.2733  2.308739       6.019894  
1 1 1 -5  2   24 o 118.571 3.0389  7625.43    390.272  7588.68    551.382  7662.32    552.476  118.194 4.3071  118.767 4.2948  -0.5730972     6.082494  
1 1 1 -5  2   25 o 96.579  2.8017  5060.50    293.068  5232.59    440.759  4924.12    392.371  98.102  4.1481  95.196  3.8055  2.905746       5.629271  
1 1 1 -5  2   26 o 51.948  2.1710  1463.70    122.153  1365.70    275.350  1487.71    136.300  49.734  5.1880  52.363  2.4033  -2.628731      5.717589  
1 1 1 -5  2   27 o 39.707  5.0774  877.533    213.361  847.372    299.203  908.738    304.340  38.451  7.4534  39.888  7.3140  -1.436344      10.44259  
1 1 1 -5  2   28 o 78.845  3.3172  3388.27    283.280  3510.60    399.740  3264.86    401.501  79.882  4.6402  76.973  4.8406  2.909286       6.705368  
1 1 1 -5  2   29 f 78.945  3.3090  3402.84    282.938  3536.49    399.093  3267.78    401.184  80.043  4.6231  76.861  4.8439  3.182213       6.695964  
1 1 1 -5  2   30 o 20.507  0.9823  227.940    21.817   305.167    30.935   151.518    30.773   23.691  1.2096  16.614  1.7357  7.077427       2.115633  
1 1 1 -5  2   31 o 37.920  5.3717  818.957    214.451  411.765    300.547  1241.30    306.088  26.686  8.8841  46.479  6.2376  -19.79372      10.85516  
1 1 1 -5  2   32 o 66.687  3.6470  2460.92    262.421  2449.32    370.346  2472.62    371.898  65.791  5.2407  66.107  5.2369  -0.3163376     7.408743  
1 1 1 -5  2   33 o 27.257  0.9985  403.055    29.479   -231.0638  281.283  410.097    29.642   14.796  6.9408  27.494  0.9954  -12.69814      7.011786  
1 1 1 -5  2   34 o 28.426  6.9728  511.816    213.058  494.757    300.251  529.117    302.380  27.140  8.8723  27.970  8.8825  -0.8301144     12.55452  
1 1 1 -5  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  3   2  o 345.951 5.9362  64866.01   2224.30  63735.37   3145.47  65996.90   3145.79  342.780 8.4723  348.818 8.3265  -6.038177      11.87897  
1 1 1 -5  3   3  o 182.662 3.5734  18074.99   706.979  18037.45   999.641  18112.55   999.997  182.443 5.0588  182.823 5.0501  -0.3796387     7.148046  
1 1 1 -5  3   4  o 329.071 5.6984  58699.17   2031.03  59523.23   2345.29  56227.50   4061.73  331.323 6.5354  321.581 11.661  9.741852       13.36788  
1 1 1 -5  3   5  o 364.806 6.2030  72166.26   2450.94  71500.16   2830.12  74164.48   4901.78  363.036 7.1976  369.118 12.261  -6.082336      14.21730  
1 1 1 -5  3   6  o 402.833 6.8580  88025.37   2992.20  88388.53   3455.08  86935.83   5984.48  403.553 7.9047  399.320 13.837  4.233124       15.93553  
1 1 1 -5  3   7  o 181.693 3.5696  17884.84   702.471  17225.05   1404.87  18104.80   811.157  178.201 7.2787  182.796 4.0970  -4.594696      8.352588  
1 1 1 -5  3   8  o 561.297 9.3402  170958.59  5678.29  176583.80  11356.52 169083.50  6556.73  568.822 18.433  558.017 10.848  10.80499       21.38853  
1 1 1 -5  3   9  o 535.678 8.9322  155613.50  5182.40  154933.09  10364.61 155840.20  5984.15  533.392 17.941  535.946 10.309  -2.553955      20.69148  
1 1 1 -5  3   10 o 709.630 11.606  273282.41  8920.53  273251.81  17840.72 273292.59  10300.60 707.362 23.286  709.396 13.406  -2.034912      26.86963  
1 1 1 -5  3   11 o 503.693 9.7139  137605.20  5299.44  134416.00  9178.51  139200.00  6490.59  497.033 17.050  506.416 11.833  -9.383301      20.75381  
1 1 1 -5  3   12 o 492.408 9.4960  131516.41  5064.47  131528.30  6202.80  131492.59  8771.62  492.235 11.634  491.580 16.475  0.6542664      20.16860  
1 1 1 -5  3   13 o 207.000 7.9462  23234.17   1781.55  0.0000     0.0000   23234.17   1781.55  ?       ?       207.000 7.9462  0.000000       7.946155  
1 1 1 -5  3   14 o 508.575 9.1536  140357.00  5042.15  142863.41  7822.59  138575.50  6594.92  512.383 14.096  504.960 12.058  7.422577       18.54961  
1 1 1 -5  3   15 o 156.790 3.3441  13317.66   567.902  13143.75   804.351  13490.53   801.923  155.734 4.7686  157.777 4.6926  -2.042831      6.690328  
1 1 1 -5  3   16 o 175.566 3.5687  16700.95   678.616  16954.34   960.858  16448.77   958.562  176.849 5.0163  174.190 5.0807  2.659012       7.139862  
1 1 1 -5  3   17 o 406.983 7.5172  89959.30   3313.62  91403.35   5126.23  88922.86   4342.92  409.432 11.560  404.200 9.9201  5.232056       15.23266  
1 1 1 -5  3   18 o 309.107 5.4303  51836.84   1818.04  50790.77   2570.73  52883.51   2571.46  305.685 7.7645  311.942 7.6109  -6.256439      10.87256  
1 1 1 -5  3   19 o 287.961 5.4818  45003.94   1709.71  45244.71   2622.76  44826.01   2254.59  288.309 8.3990  287.158 7.2490  1.151154       11.09466  
1 1 1 -5  3   20 o 120.111 3.0193  7818.69    392.791  7641.92    553.267  7998.33    557.741  118.700 4.3034  121.439 4.2404  -2.739136      6.041540  
1 1 1 -5  3   21 o 118.141 3.0266  7565.04    387.286  7258.53    546.076  7875.24    549.349  115.670 4.3587  120.491 4.2094  -4.820847      6.059531  
1 1 1 -5  3   22 o 288.921 5.1417  45335.10   1608.98  46267.86   2275.40  44402.25   2275.50  291.479 7.2074  285.508 7.3585  5.970642       10.30021  
1 1 1 -5  3   23 o 195.398 3.8495  20715.92   814.682  20890.25   1153.34  20542.32   1150.93  196.034 5.4320  194.390 5.4664  1.643951       7.706388  
1 1 1 -5  3   24 o 64.132  3.2598  2237.06    225.689  2343.17    328.735  2142.45    310.399  65.496  4.6646  62.619  4.6090  2.876366       6.557496  
1 1 1 -5  3   25 o 33.580  1.0300  610.831    37.461   828.109    53.658   404.235    52.322   39.097  1.2671  27.253  1.7824  11.84416       2.186893  
1 1 1 -5  3   26 o 78.804  2.9729  3372.96    253.743  3293.14    365.494  3447.23    352.549  77.614  4.3655  79.456  4.1106  -1.842125      5.996248  
1 1 1 -5  3   27 o 29.780  6.4950  507.991    203.596  406.022    285.637  613.300    290.275  27.097  8.6360  32.527  8.2323  -5.429142      11.93108  
1 1 1 -5  3   28 o 115.587 3.0636  7275.10    383.536  7548.68    537.385  6991.06    547.562  117.451 4.2243  112.958 4.4755  4.492828       6.154304  
1 1 1 -5  3   29 o 73.135  3.3957  2921.75    268.987  3268.38    379.435  2571.56    381.383  76.954  4.5729  68.030  5.2157  8.924721       6.936512  
1 1 1 -5  3   30 o 40.433  1.4036  886.972    61.467   892.638    86.878   881.293    86.976   40.526  1.9793  40.267  1.9943  0.2594681      2.809738  
1 1 1 -5  3   31 o 34.660  5.8133  692.212    210.509  525.201    295.211  864.989    300.263  29.494  8.6676  38.163  7.5317  -8.668800      11.48274  
1 1 1 -5  3   32 o 41.882  1.6210  953.518    73.535   976.855    75.788   578.456    303.827  42.389  1.6507  30.566  8.7388  11.82253       8.893318  
1 1 1 -5  3   33 o 37.779  2.3875  783.907    97.188   1066.68    313.028  753.742    102.240  42.060  7.1257  37.001  2.5670  5.059277       7.574025  
1 1 1 -5  3   34 o 23.710  2.0437  310.078    51.970   303.416    52.433   682.422    391.981  23.443  2.0869  30.821  10.140  -7.378002      10.35291  
1 1 1 -5  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  4   1  o 310.253 5.3925  52161.66   1812.08  52276.67   2562.62  52046.63   2562.72  310.495 7.6201  309.810 7.6372  0.6848145      10.78853  
1 1 1 -5  4   2  o 326.287 5.6607  57698.24   2000.51  59365.53   2829.09  56030.84   2829.19  330.851 7.8949  321.411 8.1270  9.440491       11.33038  
1 1 1 -5  4   3  o 464.392 15.659  117526.50  7876.42  117526.50  7876.42  0.0000     0.0000   464.392 15.659  ?       ?       0.000000       15.65937  
1 1 1 -5  4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  4   5  o 146.862 3.1066  11684.38   494.159  11516.87   570.454  12187.98   989.107  145.797 3.6124  149.923 6.0912  -4.125793      7.081861  
1 1 1 -5  4   6  o 434.603 7.2752  102477.30  3424.57  103443.80  4843.23  101511.00  4842.92  436.250 10.250  432.140 10.347  4.109833       14.56449  
1 1 1 -5  4   7  o 764.854 25.577  323031.31  21188.71 0.0000     0.0000   323031.31  21188.71 ?       ?       764.854 25.577  0.000000       25.57736  
1 1 1 -5  4   8  o 347.257 5.9049  65355.30   2220.94  65060.35   4441.93  65453.61   2564.51  346.064 11.851  347.473 6.8142  -1.409302      13.67015  
1 1 1 -5  4   9  o 583.993 11.104  185083.91  7023.69  0.0000     0.0000   185083.91  7023.69  ?       ?       583.993 11.104  0.000000       11.10421  
1 1 1 -5  4   10 o 509.748 8.3774  140871.70  4625.28  144133.50  9250.01  139784.30  5340.91  514.800 16.590  507.682 9.7130  7.117706       19.22380  
1 1 1 -5  4   11 o 95.114  2.5506  4899.73    262.755  3443.95    476.746  5534.87    314.899  79.531  5.5697  101.089 2.8761  -21.55798      6.268408  
1 1 1 -5  4   12 o 364.569 7.1920  72043.60   2839.87  75714.91   4920.44  70209.78   3477.53  373.425 12.166  359.810 8.9233  13.61484       15.08727  
1 1 1 -5  4   13 o 492.908 16.565  132298.91  8843.33  0.0000     0.0000   132298.91  8843.33  ?       ?       492.908 16.565  0.000000       16.56454  
1 1 1 -5  4   14 o 336.030 5.8284  61201.01   2121.27  60257.29   3000.06  62144.56   2999.80  333.287 8.3108  338.474 8.1827  -5.187775      11.66298  
1 1 1 -5  4   15 o 273.415 4.8952  40514.62   1449.63  41605.00   2050.38  39424.86   2049.80  276.970 6.8349  269.605 7.0196  7.365265       9.797486  
1 1 1 -5  4   16 o 440.701 7.4416  105413.40  3552.04  104731.30  5023.37  106095.40  5023.33  438.776 10.570  441.638 10.502  -2.861023      14.90006  
1 1 1 -5  4   17 o 221.483 4.1658  26589.46   999.341  27211.18   1413.17  25967.53   1413.40  223.962 5.8257  218.775 5.9648  5.186966       8.337713  
1 1 1 -5  4   18 o 296.878 5.2429  47810.81   1685.87  46604.99   2383.45  49018.10   2384.90  292.851 7.5143  300.362 7.3309  -7.510895      10.49794  
1 1 1 -5  4   19 o 74.945  2.5705  3043.24    208.656  3217.22    336.481  2934.54    265.970  76.924  4.0529  73.582  3.3372  3.341309       5.250057  
1 1 1 -5  4   20 o 348.801 6.0323  66084.13   2278.94  65932.27   3222.51  66236.06   3223.30  347.874 8.5527  348.679 8.5350  -0.8048096     12.08284  
1 1 1 -5  4   21 o 127.272 3.1716  8780.30    437.198  8452.60    608.813  9129.24    628.227  124.815 4.5035  129.716 4.4715  -4.901283      6.346302  
1 1 1 -5  4   22 o 125.415 3.1145  8526.93    423.067  8588.12    598.028  8465.63    598.586  125.799 4.3891  124.896 4.4249  0.9024506      6.232502  
1 1 1 -5  4   23 o 192.441 3.9528  20095.92   823.902  19839.40   1237.80  20299.97   1103.99  190.961 5.9846  193.264 5.2741  -2.302979      7.976915  
1 1 1 -5  4   24 o 205.551 3.9883  22942.17   887.930  22874.62   1258.00  23009.24   1253.45  204.972 5.6665  205.581 5.6293  -0.6094208     7.987401  
1 1 1 -5  4   25 o 80.424  2.9902  3510.09    260.470  3575.44    375.552  3449.52    361.566  80.967  4.2978  79.536  4.2122  1.431160       6.017783  
1 1 1 -5  4   26 o 138.174 3.2943  10376.77   493.019  10689.64   719.742  10100.20   676.713  139.969 4.7476  136.089 4.5911  3.880722       6.604351  
1 1 1 -5  4   27 o 100.907 3.1727  5540.05    346.747  5356.09    488.604  5726.70    492.164  98.971  4.5580  102.364 4.4391  -3.392220      6.362475  
1 1 1 -5  4   28 o 114.493 3.0962  7138.93    383.950  7029.94    528.623  7260.62    558.591  113.319 4.3070  115.112 4.4802  -1.793266      6.214718  
1 1 1 -5  4   29 o 50.295  4.2116  1397.49    227.312  1154.93    319.464  1646.24    323.509  44.963  6.7698  54.234  5.5874  -9.270668      8.777726  
1 1 1 -5  4   30 o 90.730  2.6623  4487.30    261.624  4534.72    369.246  4439.50    370.743  90.917  3.7497  89.940  3.8058  0.9770279      5.342743  
1 1 1 -5  4   31 o 51.842  2.2770  1464.26    127.855  1585.29    323.471  1441.85    139.189  52.821  5.7467  51.412  2.4996  1.409691       6.266788  
1 1 1 -5  4   32 o 65.505  2.7634  2349.08    196.055  2170.50    229.905  2825.15    375.374  62.705  3.3978  70.858  4.9216  -8.152321      5.980606  
1 1 1 -5  4   33 o 14.757  6.4671  -18.2174   197.667  -85.3791   277.537  50.921     281.593  16.386  7.3895  18.496  7.9104  -2.109747      10.82497  
1 1 1 -5  4   34 o 27.582  1.1996  413.605    35.836   202.718    50.383   629.520    50.981   19.030  2.5053  34.006  1.3841  -14.97554      2.862218  
1 1 1 -5  4   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  5   1  o 634.474 21.142  220219.70  14528.64 0.0000     0.0000   220219.70  14528.64 ?       ?       634.474 21.142  0.000000       21.14176  
1 1 1 -5  5   2  o 269.486 5.5163  39357.39   1610.11  37885.10   2788.91  40093.45   1971.93  264.194 9.7463  271.947 6.6948  -7.753418      11.82419  
1 1 1 -5  5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  5   4  o 273.310 4.8561  40482.46   1437.52  40773.60   1659.90  39609.05   2875.02  274.258 5.5880  270.041 9.8297  4.217560       11.30701  
1 1 1 -5  5   5  o 332.778 5.7778  60041.70   2082.51  60845.78   2945.36  59237.90   2944.86  334.809 8.1221  330.346 8.2305  4.463531       11.56331  
1 1 1 -5  5   6  o 164.420 3.2550  14645.69   579.672  15261.44   820.444  14031.93   819.119  167.812 4.5139  160.906 4.7001  6.906448       6.516611  
1 1 1 -5  5   7  o 403.978 6.7036  88497.52   2933.15  93168.41   4148.44  83828.14   4147.77  414.255 9.2458  392.887 9.7471  21.36813       13.43474  
1 1 1 -5  5   8  o 189.410 3.6308  19434.33   744.862  16918.07   1489.48  20273.46   860.140  176.631 7.7857  193.448 4.1052  -16.81654      8.801669  
1 1 1 -5  5   9  o 87.235  2.5150  4121.65    237.629  3509.29    471.156  4330.56    275.194  80.294  5.4499  89.417  2.8415  -9.123672      6.146214  
1 1 1 -5  5   10 o 230.990 4.2549  28903.45   1064.51  27974.14   2127.58  29213.77   1229.47  227.147 8.6479  232.217 4.8882  -5.069550      9.933807  
1 1 1 -5  5   11 o 427.672 7.0916  99132.66   3284.92  92692.03   6568.19  101281.00  3793.41  412.990 14.684  432.227 8.1030  -19.23672      16.77113  
1 1 1 -5  5   12 o 305.169 6.1689  50467.89   2039.01  50739.20   3532.58  50332.34   2496.95  305.783 10.666  304.707 7.5658  1.075806       13.07703  
1 1 1 -5  5   13 o 513.534 17.223  143670.80  9579.59  0.0000     0.0000   143670.80  9579.59  ?       ?       513.534 17.223  0.000000       17.22297  
1 1 1 -5  5   14 o 205.848 3.9499  22956.18   880.654  22665.47   1245.61  23246.73   1245.26  204.500 5.6237  207.107 5.5513  -2.607651      7.902040  
1 1 1 -5  5   15 o 360.512 6.7567  70486.97   2638.29  70274.00   3463.32  70781.45   4072.48  359.776 8.8877  360.904 10.418  -1.127472      13.69426  
1 1 1 -5  5   16 o 572.243 9.5129  177989.59  5896.07  174311.00  8338.14  181668.50  8338.46  565.213 13.620  577.106 13.340  -11.89313      19.06493  
1 1 1 -5  5   17 o 175.834 3.7628  16755.78   716.607  16885.60   963.722  16595.24   1071.73  176.463 5.0423  174.909 5.6572  1.553513       7.578187  
1 1 1 -5  5   18 o 162.039 3.5396  14230.32   621.210  13951.51   840.945  14565.20   921.636  160.390 4.8408  163.862 5.1929  -3.471786      7.099292  
1 1 1 -5  5   19 o 410.802 6.9771  91714.75   3104.40  91297.65   4389.93  92131.98   4390.65  409.134 9.9065  411.012 9.8629  -1.877991      13.97913  
1 1 1 -5  5   20 f 84.749  2.9221  3892.35    268.221  3827.65    374.804  3960.27    384.006  84.012  4.1190  85.454  4.1489  -1.442177      5.846344  
1 1 1 -5  5   21 o 158.519 3.5039  13623.79   601.593  13240.94   885.609  13951.82   819.763  156.166 5.2358  160.341 4.7203  -4.175583      7.049507  
1 1 1 -5  5   22 o 149.638 3.4333  12141.70   556.450  11704.28   762.200  12640.91   814.254  146.829 4.7928  152.580 4.9271  -5.751114      6.873662  
1 1 1 -5  5   23 o 268.687 4.8612  39215.63   1414.68  39240.13   2001.31  39191.17   2000.00  268.360 6.8854  268.193 6.8851  0.1673889      9.737206  
1 1 1 -5  5   24 o 44.397  1.8251  1068.06    87.764   1116.46    93.425   704.588    256.022  45.391  1.9003  35.327  6.9388  10.06445       7.194304  
1 1 1 -5  5   25 o 24.651  1.0306  329.172    27.517   335.111    27.756   -10.9258   210.042  24.873  1.0303  15.898  6.8165  8.974999       6.893884  
1 1 1 -5  5   26 o 44.559  2.0770  1076.83    100.242  1063.42    109.706  1144.66    246.717  44.214  2.2988  45.500  5.0937  -1.285755      5.588389  
1 1 1 -5  5   27 o 22.556  7.1780  277.918    197.386  29.848     276.406  536.075    281.970  18.802  7.9307  30.472  8.3128  -11.67035      11.48906  
1 1 1 -5  5   28 o 86.589  2.5934  4076.48    243.219  3939.27    294.908  4368.27    430.075  85.031  3.2021  89.293  4.4469  -4.261688      5.479811  
1 1 1 -5  5   29 o 93.023  3.2009  4722.48    322.504  4651.90    454.469  4794.08    457.726  91.961  4.5628  93.367  4.5263  -1.406235      6.427022  
1 1 1 -5  5   30 o 90.876  2.9180  4507.81    287.209  4448.90    371.296  4595.58    453.186  90.032  3.8076  91.114  4.6071  -1.082253      5.976925  
1 1 1 -5  5   31 o 20.954  1.7434  240.257    39.208   356.014    280.239  237.946    39.597   25.152  8.5787  20.849  1.7703  4.303030       8.759477  
1 1 1 -5  5   32 f 76.533  2.7937  3207.48    231.576  3128.10    282.890  3368.72    403.194  75.356  3.4660  77.451  4.8304  -2.095459      5.945288  
1 1 1 -5  5   33 o 34.450  6.0011  700.686    215.781  734.132    304.032  666.740    306.301  34.132  8.3035  32.376  8.5922  1.755650       11.94879  
1 1 1 -5  5   34 o 32.908  2.9150  604.450    102.825  527.492    108.364  1300.05    325.789  30.587  3.3246  45.907  6.7542  -15.31997      7.528035  
1 1 1 -5  5   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  6   1  o 366.840 12.587  73148.19   5001.33  73148.19   5001.33  0.0000     0.0000   366.840 12.587  ?       ?       0.000000       12.58747  
1 1 1 -5  6   2  o 533.910 17.886  155591.50  10343.18 0.0000     0.0000   155591.50  10343.18 ?       ?       533.910 17.886  0.000000       17.88611  
1 1 1 -5  6   3  o 291.024 4.9828  45897.70   1570.61  44377.60   1813.33  50463.18   3142.57  286.127 5.8512  304.882 9.5166  -18.75491      11.17153  
1 1 1 -5  6   4  f 77.224  2.4007  3230.16    200.797  3269.36    232.303  3114.30    399.321  77.689  2.7607  75.646  4.9001  2.042854       5.624318  
1 1 1 -5  6   5  o 400.493 6.7804  87002.58   2941.19  85835.13   4159.52  88169.96   4159.41  397.466 9.6621  402.853 9.5327  -5.387115      13.57310  
1 1 1 -5  6   6  o 305.453 5.3419  50577.11   1767.31  50191.04   2499.56  50963.04   2499.14  304.133 7.5880  306.468 7.5290  -2.334747      10.68942  
1 1 1 -5  6   7  o 457.913 7.6453  113745.80  3791.81  114714.10  5362.55  112777.50  5362.32  459.478 10.775  455.570 10.867  3.907959       15.30398  
1 1 1 -5  6   8  o 333.283 5.7354  60196.22   2070.36  57262.66   4139.76  61174.67   2390.82  324.696 11.771  335.944 6.5707  -11.24753      13.48108  
1 1 1 -5  6   9  o 321.579 5.5843  56032.62   1945.02  58005.90   3889.41  55374.57   2246.03  326.950 10.983  319.656 6.4873  7.293823       12.75605  
1 1 1 -5  6   10 o 224.791 4.1789  27372.60   1017.44  26759.44   2033.03  27577.48   1175.19  222.167 8.4488  225.621 4.8090  -3.454193      9.721577  
1 1 1 -5  6   11 o 174.184 3.4906  16434.04   658.539  16105.29   1311.60  16544.86   761.480  172.381 7.0249  174.765 4.0229  -2.383926      8.095230  
1 1 1 -5  6   12 o 254.803 5.8527  35181.68   1615.22  35996.04   2550.43  34636.31   2087.13  257.622 9.1403  252.767 7.6236  4.855286       11.90225  
1 1 1 -5  6   13 o 352.364 12.168  67441.38   4643.71  0.0000     0.0000   67441.38   4643.71  ?       ?       352.364 12.168  0.000000       12.16757  
1 1 1 -5  6   14 o 353.464 6.0978  67722.76   2334.46  68481.90   4667.78  67469.54   2695.82  354.952 12.141  352.747 7.0560  2.204254       14.04285  
1 1 1 -5  6   15 o 475.768 8.5027  122867.50  4381.49  125735.20  5734.44  118845.20  6791.54  480.911 11.009  467.109 13.424  13.80255       17.36103  
1 1 1 -5  6   16 o 340.144 5.8860  62745.58   2168.48  64032.68   3066.46  61458.11   3066.92  343.381 8.2450  336.387 8.4177  6.993835       11.78294  
1 1 1 -5  6   17 f 133.972 3.1133  9724.97    451.752  9312.69    636.901  10142.41   640.865  131.066 4.4865  136.785 4.3257  -5.719208      6.232249  
1 1 1 -5  6   18 o 371.548 6.3742  74947.64   2565.12  73676.16   3627.19  76219.73   3628.06  367.904 9.1026  374.232 8.9508  -6.328308      12.76615  
1 1 1 -5  6   19 o 80.325  2.6263  3495.93    228.490  3548.15    293.753  3415.93    363.564  80.910  3.3520  79.255  4.2508  1.655113       5.413452  
1 1 1 -5  6   20 o 219.987 4.1583  26245.66   990.803  26109.46   1399.86  26382.40   1402.56  219.257 5.8947  220.402 5.8754  -1.145126      8.322700  
1 1 1 -5  6   21 o 78.462  3.0224  3336.78    256.850  3531.94    362.431  3139.88    364.056  80.586  4.1666  75.945  4.4453  4.640900       6.092735  
1 1 1 -5  6   22 o 219.801 4.4183  26219.38   1051.85  25742.56   1592.22  26588.61   1401.12  217.483 6.7594  221.166 5.8491  -3.682816      8.938750  
1 1 1 -5  6   23 o 71.916  2.3039  2802.77    179.457  3076.51    356.315  2709.74    207.726  75.150  4.3968  70.703  2.7126  4.447067       5.166207  
1 1 1 -5  6   24 o 205.884 3.9921  23017.40   890.207  23159.88   1260.31  22875.54   1257.58  206.243 5.6419  204.969 5.6647  1.274414       7.995013  
1 1 1 -5  6   25 o 107.999 3.0036  6330.08    351.342  6541.01    500.772  6125.61    493.062  109.670 4.2158  106.122 4.2897  3.547409       6.014518  
1 1 1 -5  6   26 o 83.188  2.9417  3758.69    265.055  4047.08    381.452  3489.45    368.569  86.203  4.0855  79.912  4.2738  6.291862       5.912429  
1 1 1 -5  6   27 o 52.529  3.7668  1511.88    212.891  1930.53    319.895  1179.06    285.226  59.146  5.0417  45.936  5.8668  13.20997       7.735530  
1 1 1 -5  6   28 o 55.268  3.9196  1677.37    233.111  1468.94    326.173  1894.98    333.277  51.214  5.9936  58.436  5.3241  -7.222294      8.016810  
1 1 1 -5  6   29 o 101.671 3.1750  5640.88    349.635  5197.09    492.315  6092.48    496.630  97.159  4.6783  105.311 4.3540  -8.152382      6.390924  
1 1 1 -5  6   30 o 51.287  2.1963  1430.91    122.002  1495.84    131.708  1038.45    323.802  52.424  2.3196  42.214  7.3489  10.20997       7.706241  
1 1 1 -5  6   31 o 47.042  2.1802  1205.12    111.084  1442.51    312.426  1170.77    118.850  50.317  5.8414  46.283  2.3789  4.034729       6.307217  
1 1 1 -5  6   32 o 33.507  1.6205  610.315    58.810   621.070    59.992   345.351    297.763  33.800  1.6387  24.847  8.8195  8.952414       8.970433  
1 1 1 -5  6   33 o 19.797  7.2455  203.786    202.815  287.025    283.842  116.954    289.902  23.028  8.5464  19.795  8.2192  3.233053       11.85736  
1 1 1 -5  6   34 o 16.682  6.9184  87.486     205.052  190.252    287.936  -18.2602   292.083  20.431  8.3054  17.218  7.6869  3.212597       11.31668  
1 1 1 -5  6   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  7   1  o 356.518 8.6800  68960.30   3351.74  0.0000     0.0000   68960.30   3351.74  ?       ?       356.518 8.6800  0.000000       8.679966  
1 1 1 -5  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  7   3  o 439.763 8.4003  104940.80  4001.13  103374.50  4899.90  108075.20  6931.49  436.240 10.370  445.427 14.367  -9.186340      17.71913  
1 1 1 -5  7   4  o 458.385 10.933  114238.50  5427.93  114238.50  5427.93  0.0000     0.0000   458.385 10.933  ?       ?       0.000000       10.93287  
1 1 1 -5  7   5  o 326.151 5.6553  57673.32   1997.78  56677.13   2825.37  58669.40   2825.21  323.131 8.0728  328.774 7.9338  -5.643188      11.31884  
1 1 1 -5  7   6  o 307.929 5.3115  51399.44   1771.49  52960.93   2505.82  49839.33   2504.71  312.430 7.4050  303.065 7.6305  9.364807       10.63289  
1 1 1 -5  7   7  o 161.870 3.2896  14193.91   576.738  14053.96   815.396  14334.02   815.866  161.045 4.6747  162.643 4.6314  -1.597565      6.580457  
1 1 1 -5  7   8  o 558.344 9.2416  169123.91  5588.83  164280.50  7903.75  173967.50  7903.83  549.779 13.273  565.813 12.897  -16.03412      18.50716  
1 1 1 -5  7   9  o 124.522 2.8727  8398.33    387.439  8130.06    771.474  8488.81    448.037  122.492 5.8149  125.188 3.3043  -2.696823      6.688183  
1 1 1 -5  7   10 f 280.542 4.9416  42638.34   1501.54  41399.79   3000.99  43051.96   1734.24  276.275 10.029  281.883 5.6803  -5.607361      11.52580  
1 1 1 -5  7   11 o 427.271 7.5854  98959.30   3510.37  93563.94   6501.92  101179.00  4170.42  414.943 14.467  431.958 8.9139  -17.01520      16.99282  
1 1 1 -5  7   12 o 408.258 7.9743  90366.08   3526.13  89721.52   6106.66  90688.48   4318.89  406.329 13.876  408.870 9.7525  -2.540558      16.96016  
1 1 1 -5  7   13 o 199.570 7.7514  21595.49   1675.50  0.0000     0.0000   21595.49   1675.50  ?       ?       199.570 7.7514  0.000000       7.751399  
1 1 1 -5  7   14 f 442.516 7.4123  106194.50  3552.64  106712.90  7102.63  106021.60  4102.74  442.673 14.814  442.052 8.5690  0.6217041      17.11360  
1 1 1 -5  7   15 o 321.418 5.5760  56003.85   1941.17  53116.79   3877.94  56969.11   2242.32  312.516 11.457  324.125 6.3873  -11.60901      13.11690  
1 1 1 -5  7   16 o 123.560 2.9801  8270.98    398.824  8500.97    558.192  8031.12    570.039  125.245 4.1148  121.730 4.3235  3.514801       5.968620  
1 1 1 -5  7   17 f 152.767 3.3102  12645.93   547.711  12863.54   773.371  12426.96   775.795  154.033 4.6356  151.393 4.7312  2.640030       6.623641  
1 1 1 -5  7   18 o 281.340 5.7138  42951.88   1741.11  42328.43   2461.97  43575.66   2462.64  278.999 8.1472  283.096 8.0315  -4.096954      11.44038  
1 1 1 -5  7   19 o 394.710 6.7334  84652.11   2878.60  83061.98   4070.43  86243.07   4071.49  390.311 9.6285  397.764 9.4506  -7.452942      13.49152  
1 1 1 -5  7   20 o 419.800 7.1251  95842.28   3239.69  92813.30   4581.35  98871.98   4581.89  412.182 10.262  425.536 9.9412  -13.35443      14.28765  
1 1 1 -5  7   21 o 121.765 3.0659  8036.47    404.339  8312.65    571.185  7759.06    572.461  123.789 4.2602  119.588 4.4197  4.200691       6.138596  
1 1 1 -5  7   22 o 200.253 3.9121  21753.39   848.519  22017.54   1199.82  21489.08   1200.16  201.300 5.5030  198.861 5.5721  2.438782       7.831432  
1 1 1 -5  7   23 o 194.768 4.0860  20588.29   861.957  21313.53   1294.31  20010.30   1155.46  197.913 6.0380  191.836 5.5610  6.077118       8.208659  
1 1 1 -5  7   24 o 190.230 3.9704  19650.23   818.058  19559.33   1098.26  19763.54   1226.08  189.582 5.3486  190.461 5.9435  -0.8783264     7.995782  
1 1 1 -5  7   25 o 68.918  2.5674  2576.27    191.645  2581.99    235.768  2565.14    329.022  68.967  3.1563  68.517  4.4579  0.4496613      5.462119  
1 1 1 -5  7   26 o 66.613  2.4494  2408.00    176.721  2305.54    319.604  2453.12    212.093  64.857  4.5791  67.206  2.9137  -2.349022      5.427561  
1 1 1 -5  7   27 o 55.338  3.9241  1678.68    233.670  1605.49    327.215  1754.86    333.803  53.746  5.7084  56.254  5.5509  -2.507843      7.962302  
1 1 1 -5  7   28 o 32.346  6.0995  596.980    205.853  625.919    288.188  566.831    294.145  32.731  8.1581  31.170  8.4851  1.561441       11.77079  
1 1 1 -5  7   29 o 104.582 3.1837  5968.87    360.633  6135.39    508.758  5800.69    511.274  105.647 4.4462  102.672 4.5976  2.974792       6.395792  
1 1 1 -5  7   30 o 51.986  2.4513  1471.83    138.025  1448.31    151.742  1584.59    332.202  51.463  2.7321  52.942  5.8934  -1.479095      6.495858  
1 1 1 -5  7   31 f 30.632  1.3870  509.290    46.018   525.009    281.975  508.860    46.643   29.484  8.4150  30.618  1.4065  -1.133795      8.531698  
1 1 1 -5  7   32 o 61.139  2.0528  2036.61    135.939  2148.16    191.817  1924.06    192.680  62.622  2.8281  59.145  3.0178  3.476791       4.135826  
1 1 1 -5  7   33 o 24.855  7.2878  377.159    208.913  462.800    294.271  290.133    296.639  27.221  8.7751  23.252  8.7157  3.969687       12.36788  
1 1 1 -5  7   34 o 22.347  8.1290  302.100    254.740  384.758    487.694  271.086    298.731  25.713  10.667  22.110  8.6301  3.602287       13.72106  
1 1 1 -5  7   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  8   1  f 390.028 13.315  82753.26   5624.86  0.0000     0.0000   82753.26   5624.86  ?       ?       390.028 13.315  0.000000       13.31515  
1 1 1 -5  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  8   3  o 198.161 3.7783  21274.65   810.943  21207.67   936.181  21475.97   1623.01  197.835 4.3690  198.971 7.5311  -1.136185      8.706699  
1 1 1 -5  8   4  o 268.097 4.7670  38954.24   1384.22  38022.35   1957.47  39886.35   1957.70  264.765 6.8260  271.187 6.6651  -6.422089      9.540319  
1 1 1 -5  8   5  o 436.465 7.3748  103366.70  3486.34  101530.20  4930.44  105203.10  4930.42  432.135 10.534  439.912 10.348  -7.777435      14.76629  
1 1 1 -5  8   6  o 256.161 4.6378  35561.00   1286.76  34578.31   1819.85  36543.49   1819.66  252.502 6.6543  259.588 6.4719  -7.086273      9.282542  
1 1 1 -5  8   7  o 493.035 8.1874  131875.80  4372.14  131718.09  6183.25  132033.41  6183.02  492.303 11.596  492.894 11.582  -0.5911560     16.38931  
1 1 1 -5  8   8  o 496.877 8.3247  133885.70  4480.09  134437.59  6335.91  133333.80  6335.70  497.561 11.757  495.509 11.805  2.052368       16.66094  
1 1 1 -5  8   9  o 539.598 9.6384  157917.70  5633.06  150992.20  16099.34 158883.80  6013.16  523.872 28.480  541.193 10.258  -17.32043      30.27166  
1 1 1 -5  8   10 o 578.956 9.5488  181779.30  5987.76  170826.30  11974.53 185431.09  6914.26  559.951 19.744  584.616 10.920  -24.66479      22.56252  
1 1 1 -5  8   11 o 438.419 7.3518  104185.30  3491.01  110594.10  6981.31  102048.50  4031.21  451.143 14.287  433.830 8.5792  17.31381       16.66528  
1 1 1 -5  8   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  8   13 o 953.519 25.714  499114.41  26556.47 449581.91  49506.25 519125.91  31466.99 885.583 51.839  970.117 29.948  -84.53339      59.86782  
1 1 1 -5  8   14 o 308.886 5.3213  51707.55   1780.27  48996.88   3553.89  52615.63   2056.97  300.329 10.925  311.551 6.0958  -11.22244      12.51089  
1 1 1 -5  8   15 o 494.828 8.2888  132901.70  4442.40  124243.50  8882.27  135790.00  5130.12  476.662 17.205  500.004 9.4729  -23.34167      19.64009  
1 1 1 -5  8   16 o 225.980 4.2737  27676.55   1046.02  27630.03   2085.76  27692.18   1209.06  225.530 8.5387  226.014 4.9390  -0.4837494     9.864210  
1 1 1 -5  8   17 o 101.745 3.1011  5609.07    341.744  5352.39    572.022  5751.53    426.157  99.197  5.3438  103.016 3.8194  -3.819061      6.568420  
1 1 1 -5  8   18 o 223.308 4.4078  27038.10   1066.10  26895.06   1616.27  27148.27   1418.43  222.540 6.7056  223.659 5.8553  -1.119522      8.902225  
1 1 1 -5  8   19 o 226.925 4.2243  27923.91   1038.26  29311.55   1470.68  26545.12   1465.98  232.356 5.8438  221.093 6.1219  11.26364       8.463264  
1 1 1 -5  8   20 o 346.783 6.3783  65347.89   2395.71  65611.63   3147.78  64984.81   3693.34  347.057 8.3740  345.000 9.8839  2.056915       12.95439  
1 1 1 -5  8   21 o 77.559  3.0332  3260.45    254.803  3515.74    359.983  3004.12    360.710  80.401  4.1479  74.273  4.5052  6.127968       6.123899  
1 1 1 -5  8   22 o 282.222 5.0095  43253.75   1531.28  42330.86   2163.74  44179.74   2167.37  278.793 7.1656  284.847 7.0251  -6.054474      10.03483  
1 1 1 -5  8   23 o 118.721 3.1160  7642.72    400.672  7834.35    565.929  7450.13    567.345  120.127 4.3496  117.136 4.4718  2.991035       6.238320  
1 1 1 -5  8   24 o 208.723 4.0284  23658.95   910.684  22470.68   1287.04  24850.41   1288.77  203.099 5.8508  213.642 5.5695  -10.54279      8.077813  
1 1 1 -5  8   25 o 98.594  2.8427  5274.69    303.565  5368.50    451.218  5197.12    410.305  99.353  4.1931  97.784  3.8741  1.568207       5.708824  
1 1 1 -5  8   26 o 72.814  2.9489  2879.91    232.566  2964.24    323.682  2789.92    334.373  73.661  4.0729  71.413  4.3436  2.248741       5.954444  
1 1 1 -5  8   27 o 39.909  1.7414  863.773    75.273   890.912    77.789   464.484    298.379  40.530  1.7721  28.670  8.7818  11.85960       8.958815  
1 1 1 -5  8   28 o 81.392  3.3068  3611.06    291.517  3875.09    410.402  3342.18    414.157  83.959  4.5299  77.843  4.9377  6.115402       6.700814  
1 1 1 -5  8   29 f 71.082  3.4446  2761.08    265.196  3050.50    372.336  2463.09    377.810  74.303  4.6500  66.537  5.2861  7.765327       7.040232  
1 1 1 -5  8   30 o 52.254  2.6876  1492.65    151.592  1330.36    169.177  2153.87    341.476  49.228  3.1901  62.105  5.1222  -12.87776      6.034356  
1 1 1 -5  8   31 o 25.367  7.0864  380.520    202.200  371.629    282.008  389.927    290.071  25.540  8.6063  26.056  8.7287  -0.5166664     12.25798  
1 1 1 -5  8   32 f ?       ?       -353.3910  30.751   -367.4369  43.778   -339.7111  43.204   ?       ?       ?       ?       0.000000       ?         
1 1 1 -5  8   33 o 47.180  5.5820  1289.70    279.716  1184.35    524.219  1331.64    330.733  41.218  11.372  47.341  6.6321  -6.123165      13.16457  
1 1 1 -5  8   34 o 26.712  7.8694  468.544    243.078  1004.40    496.282  299.416    278.812  35.918  11.377  22.468  8.4442  13.44995       14.16798  
1 1 1 -5  8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   2  o 306.862 5.2458  51034.41   1743.51  50121.63   2012.89  53776.51   3488.82  304.063 6.1120  314.656 10.237  -10.59265      11.92279  
1 1 1 -5  9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   4  o 495.892 16.708  134444.30  8974.05  134444.30  8974.05  0.0000     0.0000   495.892 16.708  ?       ?       0.000000       16.70825  
1 1 1 -5  9   5  o 185.172 3.6354  18577.71   729.119  18068.19   1031.15  19087.20   1031.11  182.570 5.2146  187.653 5.0732  -5.082458      7.275250  
1 1 1 -5  9   6  o 380.154 6.4796  78368.01   2667.97  77515.93   3773.09  79220.07   3773.07  377.824 9.2201  381.966 9.1201  -4.141602      12.96871  
1 1 1 -5  9   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   8  o 795.598 26.417  347346.31  22763.91 0.0000     0.0000   347346.31  22763.91 ?       ?       795.598 26.417  0.000000       26.41696  
1 1 1 -5  9   9  o 460.435 7.7061  114916.90  3843.00  113169.40  7685.34  115499.60  4437.64  456.263 15.552  461.530 8.8773  -5.266785      17.90705  
1 1 1 -5  9   10 o 502.230 9.6983  136797.91  5275.56  138211.50  9136.95  136091.00  6461.42  504.091 16.735  500.745 11.914  3.346802       20.54234  
1 1 1 -5  9   11 o 248.079 4.5174  33340.18   1213.80  31516.17   2425.54  33949.56   1401.97  241.066 9.2897  250.323 5.1709  -9.257217      10.63190  
1 1 1 -5  9   12 o 252.822 5.2403  34632.72   1434.96  33190.27   2481.43  35357.44   1758.88  247.369 9.2616  255.423 6.3578  -8.054062      11.23383  
1 1 1 -5  9   13 o 273.468 6.9343  40540.66   2053.90  41915.71   2903.86  39164.11   2905.45  277.936 9.6463  268.640 9.9856  9.296265       13.88389  
1 1 1 -5  9   14 o 499.188 9.0975  135242.09  4918.77  139358.09  14000.15 134662.41  5253.69  502.266 25.823  498.038 9.7394  4.227875       27.59827  
1 1 1 -5  9   15 o 324.409 5.5367  57052.07   1945.42  54389.96   3887.09  57941.72   2247.09  316.232 11.349  326.876 6.3470  -10.64413      13.00302  
1 1 1 -5  9   16 o 432.542 7.2672  101549.00  3404.60  94839.61   6806.29  103788.00  3931.85  416.457 15.089  437.133 8.3045  -20.67593      17.22360  
1 1 1 -5  9   17 f 268.344 5.0605  39049.89   1470.80  35981.01   3912.86  39554.86   1587.20  256.006 14.167  270.045 5.4266  -14.03931      15.17039  
1 1 1 -5  9   18 o 431.680 7.3203  101257.20  3422.66  107263.10  6844.71  99254.72   3952.26  442.215 14.291  427.131 8.5431  15.08417       16.64951  
1 1 1 -5  9   19 o 287.871 6.6069  45023.08   2059.99  48480.69   4698.29  44200.19   2292.05  296.867 14.612  285.108 7.4224  11.75946       16.38904  
1 1 1 -5  9   20 o 71.416  3.5389  2764.98    273.736  2882.52    477.584  2707.47    334.054  72.586  6.1321  70.513  4.3958  2.072357       7.544958  
1 1 1 -5  9   21 o 170.669 3.5461  15792.98   655.512  15785.46   926.850  15800.50   927.219  170.527 5.0182  170.609 5.0178  -0.8128357E-01 7.096486  
1 1 1 -5  9   22 o 142.038 3.2636  10938.64   502.072  11079.54   709.476  10797.29   710.598  142.868 4.5849  141.031 4.6520  1.836365       6.531660  
1 1 1 -5  9   23 o 200.254 3.9261  21761.78   851.548  21473.32   1203.75  22050.73   1204.79  198.713 5.5930  201.377 5.5237  -2.664200      7.860829  
1 1 1 -5  9   24 o 182.061 3.8240  17996.33   754.060  17734.77   1123.89  18210.48   1016.92  180.443 5.7506  182.955 5.1318  -2.511139      7.707467  
1 1 1 -5  9   25 o 111.413 2.9357  6736.46    354.254  7006.19    518.180  6499.78    485.406  113.493 4.2154  109.328 4.0993  4.165680       5.879936  
1 1 1 -5  9   26 o 60.189  3.2595  1974.92    211.697  2108.69    304.159  1849.23    294.827  62.010  4.5607  58.019  4.7329  3.990978       6.572680  
1 1 1 -5  9   27 o 49.867  4.2139  1367.59    225.462  1015.42    314.803  1738.47    323.061  42.249  7.1334  56.020  5.3909  -13.77134      8.941385  
1 1 1 -5  9   28 o 166.682 3.5728  15161.60   645.014  14805.92   911.016  15519.12   913.363  164.053 5.1271  168.013 5.0192  -3.959305      7.174883  
1 1 1 -5  9   29 o 72.019  2.7689  2825.44    215.987  2689.24    261.651  3116.75    382.660  70.150  3.4437  75.080  4.7298  -4.930275      5.850651  
1 1 1 -5  9   30 o 62.724  4.3570  2178.89    294.165  2271.63    525.323  2136.52    355.052  62.517  7.9370  61.760  5.3610  0.7566605      9.577882  
1 1 1 -5  9   31 o 50.818  5.0420  1453.49    273.853  983.894    491.122  1665.38    329.902  39.161  11.081  54.150  5.7111  -14.98912      12.46606  
1 1 1 -5  9   32 o 38.835  5.9746  875.341    243.248  883.145    483.134  872.691    281.534  36.620  11.167  38.302  7.0460  -1.681900      13.20387  
1 1 1 -5  9   33 o 15.607  1.8083  134.460    30.000   80.446     468.202  134.683    30.062   22.835  9.9814  15.619  1.8106  7.215300       10.14431  
1 1 1 -5  9   34 o 64.992  4.2812  2414.94    299.680  2189.22    584.656  2495.38    349.016  55.866  10.031  65.490  4.9571  -9.624443      11.18909  
1 1 1 -5  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  10  1  o 167.724 3.4365  15239.65   624.289  15214.60   686.317  15359.75   1502.72  167.580 3.7812  168.250 8.2462  -0.6696167     9.071812  
1 1 1 -5  10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  10  3  o 451.293 8.7370  110572.80  4270.60  110593.00  7396.03  110562.70  5230.70  450.198 15.168  450.988 10.708  -0.7901611     18.56702  
1 1 1 -5  10  4  o 104.222 2.6534  5883.94    299.520  5571.36    423.234  6197.56    423.938  101.402 3.8536  106.952 3.6597  -5.549606      5.314439  
1 1 1 -5  10  5  o 166.992 3.3790  15107.78   611.148  15162.25   864.251  15053.31   864.337  167.260 4.7707  166.657 4.7884  0.6024323      6.759283  
1 1 1 -5  10  6  o 99.137  2.5136  5323.50    269.903  5424.89    381.666  5222.07    381.736  100.067 3.5214  98.178  3.5899  1.889145       5.028673  
1 1 1 -5  10  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  10  8  o 292.563 5.1512  46375.72   1632.31  44264.93   2308.33  48486.87   2308.53  285.751 7.4583  299.082 7.1265  -13.33026      10.31566  
1 1 1 -5  10  9  o 403.935 6.8176  88425.05   2982.73  88065.31   4218.50  88784.68   4217.94  402.965 9.6654  404.610 9.6248  -1.644989      13.64029  
1 1 1 -5  10  10 o 459.530 7.7081  114464.30  3836.48  118627.20  7672.66  113076.50  4430.04  467.192 15.163  456.662 8.9566  10.53018       17.61056  
1 1 1 -5  10  11 o 214.728 4.0365  24976.83   938.776  23953.72   1873.61  25319.78   1084.77  210.194 8.2298  216.188 4.6327  -5.994186      9.444132  
1 1 1 -5  10  12 o 531.348 11.401  153263.80  6561.27  157525.91  15758.76 152370.00  7216.53  534.998 27.286  529.659 12.579  5.339783       30.04640  
1 1 1 -5  10  13 o 625.443 14.663  212812.00  9933.13  218769.50  14047.84 206855.00  14047.30 632.765 20.497  615.135 21.084  17.62988       29.40535  
1 1 1 -5  10  14 o 578.828 9.5445  181886.09  5983.72  184669.30  11966.46 180958.09  6909.59  581.143 19.011  577.110 11.054  4.032654       21.99147  
1 1 1 -5  10  15 o 324.880 5.6516  57221.16   1988.68  57766.96   3974.73  57038.91   2296.84  325.901 11.260  324.302 6.5390  1.598389       13.02129  
1 1 1 -5  10  16 o 331.692 5.7687  59667.35   2072.43  60408.20   4143.23  59420.14   2393.35  333.033 11.486  330.923 6.6774  2.110016       13.28623  
1 1 1 -5  10  17 o 129.177 3.1846  9041.68    445.570  9847.80    873.838  8758.45    517.964  134.719 5.9887  127.124 3.7619  7.594711       7.072217  
1 1 1 -5  10  18 o 184.427 3.7123  18436.03   741.549  18679.92   1479.84  18354.26   856.896  185.405 7.3693  183.990 4.3000  1.414948       8.532040  
1 1 1 -5  10  19 o 267.905 5.1638  38946.01   1498.37  38809.22   2796.11  39001.12   1774.70  266.772 9.6771  267.988 6.1142  -1.216003      11.44677  
1 1 1 -5  10  20 o 183.547 3.8557  18267.47   766.515  17796.81   1847.21  18365.37   842.471  180.353 9.4897  184.015 4.2270  -3.661896      10.38855  
1 1 1 -5  10  21 o 129.517 3.2028  9093.16    449.288  9435.91    878.573  8971.79    522.821  131.763 6.1562  128.626 3.7528  3.136948       7.209862  
1 1 1 -5  10  22 o 181.837 4.2582  17942.50   838.649  18871.83   1455.19  17480.32   1026.21  186.133 7.2182  179.381 5.2819  6.751831       8.944283  
1 1 1 -5  10  23 o 177.277 4.7757  17071.86   916.972  15991.06   1729.39  17494.55   1081.52  170.573 9.3971  179.359 5.5673  -8.786346      10.92241  
1 1 1 -5  10  24 o 87.754  3.1458  4177.68    299.003  3925.92    586.765  4265.98    347.506  84.591  6.4530  88.652  3.6191  -4.060516      7.398569  
1 1 1 -5  10  25 o 194.408 4.4515  20569.50   937.319  21901.07   1625.51  19906.20   1147.27  199.690 7.5156  190.987 5.5461  8.702774       9.340405  
1 1 1 -5  10  26 o 232.956 6.0786  29776.60   1533.72  30107.95   3028.54  29662.31   1778.67  229.471 12.229  231.971 7.0793  -2.500992      14.13065  
1 1 1 -5  10  27 o 33.057  7.0518  627.951    244.784  830.387    443.225  539.108    293.626  37.581  10.489  30.558  8.5404  7.023098       13.52638  
1 1 1 -5  10  28 o 85.544  3.8140  3997.96    353.381  3858.30    624.739  4063.67    428.524  82.903  7.0236  85.949  4.6202  -3.045624      8.406951  
1 1 1 -5  10  29 o 45.461  2.6606  1129.12    130.433  1022.02    142.538  1680.53    323.428  43.179  3.0678  54.808  5.5237  -11.62863      6.318381  
1 1 1 -5  10  30 o 17.880  7.2299  91.446     216.914  571.929    421.491  -81.6551   252.988  31.283  10.522  16.024  7.1537  15.25961       12.72322  
1 1 1 -5  10  31 o 22.541  7.7257  278.805    227.292  324.841    452.396  263.261    262.879  26.808  10.573  22.683  8.2569  4.124968       13.41514  
1 1 1 -5  10  32 o 40.746  5.8665  959.976    251.442  1187.26    498.299  882.335    291.238  42.603  10.788  38.412  7.2664  4.191650       13.00683  
1 1 1 -5  10  33 o 45.772  2.4302  1150.49    120.047  1118.29    131.279  1314.89    296.608  45.052  2.7029  47.438  5.9003  -2.385590      6.489961  
1 1 1 -5  10  34 o 19.635  1.5097  211.367    31.860   0.0000     0.0000   211.367    31.860   ?       ?       19.635  1.5097  0.000000       1.509654  
1 1 1 -5  10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  11  1  o 127.435 2.8922  8796.88    399.194  8571.01    464.272  9437.39    781.838  125.782 3.4079  131.950 5.4706  -6.167534      6.445262  
1 1 1 -5  11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  11  3  o 253.779 4.5633  34902.43   1254.31  34520.18   1773.74  35284.78   1773.98  252.295 6.4910  255.077 6.4211  -2.782669      9.130348  
1 1 1 -5  11  4  o 243.202 4.4550  32053.93   1173.51  31435.72   1659.31  32672.55   1659.88  240.757 6.3633  245.454 6.2436  -4.697128      8.914829  
1 1 1 -5  11  5  o 173.546 3.4598  16317.30   650.329  16654.13   919.576  15980.28   919.832  175.294 4.8434  171.708 4.9459  3.585892       6.922462  
1 1 1 -5  11  6  o 407.746 6.9058  90162.32   3049.82  90442.75   4313.14  89881.90   4313.05  408.097 9.7580  406.827 9.7883  1.270782       13.82128  
1 1 1 -5  11  7  o 540.998 9.0326  158793.41  5292.75  158420.09  7485.11  159166.70  7485.04  539.862 12.801  541.137 12.771  -1.275452      18.08202  
1 1 1 -5  11  8  o 504.343 8.3902  137920.70  4583.20  137193.80  6481.78  138647.50  6481.48  502.697 11.905  505.360 11.841  -2.663055      16.79107  
1 1 1 -5  11  9  o 658.646 10.865  235360.00  7751.10  234609.00  10961.83 236111.09  10961.60 656.993 15.405  659.100 15.355  -2.107483      21.75046  
1 1 1 -5  11  10 o 312.318 5.4519  52848.84   1844.22  51963.80   3687.44  53144.07   2129.72  309.470 11.001  313.165 6.2788  -3.694580      12.66677  
1 1 1 -5  11  11 o 183.129 3.5970  18165.59   713.456  17589.96   1422.33  18359.12   824.715  180.143 7.2898  184.096 4.1361  -3.952362      8.381409  
1 1 1 -5  11  12 o 387.787 7.6144  81526.03   3198.16  79115.45   5537.32  82732.67   3917.66  381.578 13.398  390.545 9.2616  -8.966400      16.28767  
1 1 1 -5  11  13 o 215.325 6.6579  25132.98   1552.75  26007.72   2620.69  24659.78   1927.50  218.574 11.107  213.230 8.3460  5.343704       13.89282  
1 1 1 -5  11  14 o 607.523 9.9965  200426.20  6577.78  185687.00  13153.73 205341.20  7595.72  582.095 20.863  614.673 11.409  -32.57776      23.77919  
1 1 1 -5  11  15 o 158.253 4.8318  13573.52   828.192  13624.12   1158.10  13520.56   1184.84  158.486 6.7466  157.876 6.9291  0.6103058      9.670986  
1 1 1 -5  11  16 o 114.612 2.9491  7116.51    366.090  7254.68    731.605  7070.36    422.835  115.505 5.8672  114.232 3.4175  1.272995       6.789989  
1 1 1 -5  11  17 o 208.466 4.0090  23555.65   905.188  23610.15   1804.72  23537.34   1046.32  208.434 7.9941  208.354 4.6365  0.7966614E-01  9.241398  
1 1 1 -5  11  18 o 180.837 3.7519  17725.84   734.873  16766.82   1757.56  17929.02   808.983  175.229 9.2937  181.854 4.1072  -6.624939      10.16078  
1 1 1 -5  11  19 o 376.410 6.4417  76967.85   2626.23  78784.30   5249.78  76361.53   3033.03  379.107 12.785  374.724 7.4730  4.381927       14.80906  
1 1 1 -5  11  20 o 429.108 7.2465  100161.10  3367.96  105506.70  6735.04  98378.62   3889.16  437.663 14.208  424.934 8.4501  12.72940       16.53085  
1 1 1 -5  11  21 o 249.007 4.5961  33646.09   1239.57  34663.59   2475.69  33305.66   1432.00  252.015 9.0699  247.658 5.3385  4.357147       10.52436  
1 1 1 -5  11  22 o 163.689 3.7728  14533.80   668.890  13649.09   1465.88  14766.45   751.710  157.867 8.6056  164.962 4.2072  -7.094589      9.578965  
1 1 1 -5  11  23 o 207.771 4.0369  23430.33   908.453  23088.65   1810.01  23545.39   1050.33  205.551 8.1300  208.203 4.6577  -2.652466      9.369678  
1 1 1 -5  11  24 o 70.707  3.3443  2712.92    256.115  2838.20    497.096  2667.65    298.830  71.841  6.4574  69.975  3.9591  1.865906       7.574480  
1 1 1 -5  11  25 o 139.667 3.3835  10594.83   511.838  10629.83   1092.95  10584.99   579.287  138.980 7.2861  139.544 3.8328  -0.5644989     8.232690  
1 1 1 -5  11  26 o 30.190  1.2663  493.890    41.407   58.572     341.766  500.375    41.714   21.255  8.8830  30.388  1.2674  -9.133049      8.972960  
1 1 1 -5  11  27 o 69.581  3.7260  2647.18    279.784  3372.42    548.964  2392.70    325.189  77.833  6.5734  65.977  4.5790  11.85570       8.011035  
1 1 1 -5  11  28 o 76.801  3.5727  3219.32    297.189  2768.21    581.048  3379.15    345.850  69.813  7.8186  78.488  4.0824  -8.675842      8.820230  
1 1 1 -5  11  29 o 64.012  2.7081  2231.61    187.755  2253.37    230.706  2188.93    323.102  64.146  3.3321  62.850  4.7823  1.296120       5.828666  
1 1 1 -5  11  30 o 53.386  4.4591  1583.30    255.477  1785.80    508.683  1514.99    295.440  54.845  8.8658  51.936  5.3275  2.908443       10.34335  
1 1 1 -5  11  31 o 73.642  3.7615  2994.21    299.020  3566.73    600.370  2805.33    344.834  78.522  7.1372  70.978  4.5089  7.543640       8.442137  
1 1 1 -5  11  32 o 45.189  5.3531  1165.69    256.912  1318.54    507.227  1112.94    297.959  45.098  10.569  43.625  6.5047  1.472454       12.41005  
1 1 1 -5  11  33 o 37.089  2.1503  754.052    86.009   738.138    90.234   912.144    284.409  36.666  2.2835  38.787  7.0287  -2.121212      7.390348  
1 1 1 -5  11  34 o 18.338  7.8421  87.394     276.686  0.0000     0.0000   87.394     276.686  ?       ?       18.338  7.8421  0.000000       7.842104  
1 1 1 -5  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  12  1  o 364.334 6.2272  71976.24   2457.32  72415.33   2837.04  70657.36   4916.88  365.369 7.1691  360.278 12.600  5.091248       14.49704  
1 1 1 -5  12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  12  3  o 399.775 6.7332  86686.40   2915.47  87084.06   4123.07  86288.73   4123.13  400.379 9.5078  398.541 9.5518  1.838257       13.47717  
1 1 1 -5  12  4  o 371.678 6.3546  74918.07   2558.15  73889.91   3617.57  75946.46   3617.97  368.851 9.0552  373.963 8.9324  -5.112183      12.71939  
1 1 1 -5  12  5  o 269.174 4.8088  39267.85   1401.96  39413.40   1982.54  39122.26   1982.81  269.572 6.7901  268.573 6.8163  0.9990540      9.621219  
1 1 1 -5  12  6  o 482.993 8.0665  126560.10  4219.86  122952.90  5967.69  130167.40  5967.87  475.609 11.585  489.414 11.258  -13.80463      16.15410  
1 1 1 -5  12  7  f 460.706 7.7521  115091.10  3868.22  115446.30  5470.67  114735.90  5470.30  461.123 10.954  459.699 10.987  1.424408       15.51409  
1 1 1 -5  12  8  o 394.447 6.6881  84322.85   2857.34  85655.45   4041.10  82990.53   4040.68  397.407 9.3885  391.166 9.5372  6.240234       13.38290  
1 1 1 -5  12  9  o 474.328 7.9241  121959.60  4071.00  119700.80  5757.32  124218.30  5757.21  469.681 11.317  478.479 11.109  -8.797852      15.85861  
1 1 1 -5  12  10 f 447.883 7.4445  108729.70  3611.34  114299.20  7222.74  106873.20  4170.01  458.647 14.540  443.973 8.6718  14.67352       16.92930  
1 1 1 -5  12  11 o 237.630 4.3489  30590.11   1119.30  30150.41   2235.59  30737.20   1293.04  235.800 8.7535  238.188 5.0121  -2.387787      10.08685  
1 1 1 -5  12  12 o 665.432 15.430  240878.80  11120.98 0.0000     0.0000   240878.80  11120.98 ?       ?       665.432 15.430  0.000000       15.43012  
1 1 1 -5  12  13 o 257.279 6.5904  35881.06   1836.47  34000.43   2596.53  37763.51   2597.79  250.313 9.5772  263.828 9.0910  -13.51491      13.20493  
1 1 1 -5  12  14 o 252.939 4.9241  34670.96   1349.01  35117.41   2523.75  34492.39   1596.17  254.349 9.1611  252.251 5.8422  2.097412       10.86537  
1 1 1 -5  12  15 o 804.467 14.525  353087.81  12655.98 374209.69  36633.83 350225.31  13486.35 805.472 42.138  800.766 15.550  4.705261       44.91547  
1 1 1 -5  12  16 o 88.053  2.9362  4200.48    280.027  4560.52    559.937  4080.40    323.371  91.525  5.6764  86.779  3.4404  4.746086       6.637668  
1 1 1 -5  12  17 o 267.162 4.8046  38703.10   1390.28  37202.52   2776.08  39205.45   1606.22  261.402 9.8051  268.835 5.5163  -7.433563      11.25035  
1 1 1 -5  12  18 o 362.132 6.2400  71198.52   2447.50  75940.46   4894.69  69617.61   2826.19  372.694 12.126  357.924 7.2902  14.76956       14.14841  
1 1 1 -5  12  19 o 166.302 3.5120  14991.31   632.588  15364.07   1263.28  14866.56   730.816  168.130 6.9372  165.582 4.0750  2.548050       8.045483  
1 1 1 -5  12  20 o 164.726 3.7954  14712.88   677.162  13640.50   1497.40  14988.57   759.232  157.948 8.7877  166.238 4.2167  -8.290695      9.747031  
1 1 1 -5  12  21 o 319.197 5.6469  55345.72   1952.26  56896.69   3900.25  54827.22   2255.10  322.209 11.176  317.530 6.5571  4.679230       12.95751  
1 1 1 -5  12  22 o 53.611  2.3953  1557.50    139.088  2560.29    430.028  1440.34    146.989  68.375  5.8634  51.483  2.6449  16.89163       6.432367  
1 1 1 -5  12  23 o 204.779 3.9745  22759.72   881.536  22329.91   1756.60  22904.40   1019.16  202.156 8.0226  205.355 4.5821  -3.199493      9.238990  
1 1 1 -5  12  24 o 120.758 3.2731  7912.66    428.101  8437.38    837.537  7727.08    498.084  124.381 6.2170  119.288 3.8551  5.092537       7.315231  
1 1 1 -5  12  25 o 99.390  3.0929  5362.97    332.948  5301.23    651.498  5384.79    387.351  98.270  6.1520  99.549  3.5925  -1.279144      7.124130  
1 1 1 -5  12  26 o 162.666 3.5645  14396.83   628.003  16893.33   1224.42  13505.64   731.555  175.278 6.4496  157.386 4.2915  17.89230       7.746871  
1 1 1 -5  12  27 o 114.890 3.2964  7186.82    410.197  7579.79    809.252  7050.94    475.859  116.954 6.4129  113.684 3.8646  3.269913       7.487407  
1 1 1 -5  12  28 o 82.329  3.5247  3698.98    314.298  3164.66    599.720  3901.31    369.037  74.813  7.5022  84.450  4.0346  -9.637077      8.518295  
1 1 1 -5  12  29 f 26.029  2.1540  370.720    60.179   352.920    61.848   687.146    260.771  25.376  2.2744  34.334  7.2403  -8.957512      7.589140  
1 1 1 -5  12  30 o 36.541  6.1796  768.149    235.853  1549.14    484.071  525.034    270.079  50.864  9.1218  29.694  8.1502  21.17054       12.23248  
1 1 1 -5  12  31 o 65.772  3.9867  2396.00    282.662  2604.29    568.766  2327.68    325.735  66.409  8.0736  64.550  4.6911  1.858551       9.337538  
1 1 1 -5  12  32 o 15.003  6.7021  -64.8132   222.433  -195.5169  458.538  -24.5924   254.365  20.186  9.2555  16.701  7.3273  3.484682       11.80483  
1 1 1 -5  12  33 o ?       ?       -146.5407  30.749   -149.2017  30.967   40.705     259.768  ?       ?       17.666  7.5778  0.000000       7.577780  
1 1 1 -5  12  34 o 17.530  1.9694  170.348    36.746   0.0000     0.0000   170.348    36.746   ?       ?       17.530  1.9694  0.000000       1.969400  
1 1 1 -5  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  2  o 370.209 7.4892  74364.52   3002.97  76529.35   3677.40  70031.56   5202.62  375.395 9.0445  358.508 13.398  16.88617       16.16537  
1 1 1 -5  13  3  o 194.137 3.7958  20421.12   798.145  20219.54   1128.71  20622.72   1128.78  193.126 5.3960  195.044 5.3433  -1.917969      7.593904  
1 1 1 -5  13  4  o 323.460 5.6370  56722.38   1974.88  57471.70   2792.84  55972.99   2792.96  325.418 7.9238  321.137 8.0298  4.280365       11.28115  
1 1 1 -5  13  5  o 238.734 4.3758  30883.43   1131.48  30483.24   1600.09  31283.68   1600.21  237.110 6.2305  240.206 6.1507  -3.096558      8.755018  
1 1 1 -5  13  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  9  o 393.874 6.6394  84071.09   2832.41  82461.22   4005.99  85680.38   4005.27  389.949 9.4849  397.498 9.3031  -7.549011      13.28570  
1 1 1 -5  13  10 o 356.546 6.1370  68886.20   2369.95  66965.34   3351.72  70806.84   3351.52  351.429 8.8056  361.380 8.5626  -9.951447      12.28241  
1 1 1 -5  13  11 o 455.524 7.6698  112486.70  3784.10  113959.60  7566.88  111995.50  4369.76  457.814 15.260  454.450 8.8777  3.363495       17.65461  
1 1 1 -5  13  12 o 219.898 5.7561  26203.48   1370.94  0.0000     0.0000   26203.48   1370.94  ?       ?       219.898 5.7561  0.000000       5.756082  
1 1 1 -5  13  13 o 721.488 13.718  283100.91  10719.61 271610.91  18565.78 288847.00  13129.18 703.493 24.366  728.044 16.650  -24.55133      29.51128  
1 1 1 -5  13  14 f 697.868 11.502  264752.50  8694.26  282440.69  17388.78 258856.59  10039.21 717.014 22.391  689.575 13.442  27.43890       26.11563  
1 1 1 -5  13  15 o 531.815 9.7321  153689.91  5605.83  169228.00  16009.62 151518.59  5984.70  551.901 26.782  527.904 10.467  23.99677       28.75504  
1 1 1 -5  13  16 o 185.284 3.8659  18604.34   775.813  17263.30   1890.77  18875.82   850.726  177.876 9.8525  186.619 4.2089  -8.742981      10.71387  
1 1 1 -5  13  17 o 389.817 6.5714  82492.78   2774.53  83155.14   5549.03  82271.99   3203.76  389.966 13.138  389.136 7.6013  0.8301697      15.17824  
1 1 1 -5  13  18 o 594.686 9.8666  192750.00  6355.17  188787.41  12709.19 194071.20  7338.53  582.690 20.138  596.100 11.366  -13.40967      23.12403  
1 1 1 -5  13  19 o 113.007 2.9601  6920.61    362.309  6477.34    728.485  7066.28    417.622  109.031 6.1944  114.179 3.3770  -5.148277      7.055080  
1 1 1 -5  13  20 o 136.503 3.2086  10099.74   474.390  9716.63    945.814  10228.52   548.353  133.704 6.5312  137.352 3.6860  -3.647461      7.499528  
1 1 1 -5  13  21 o 296.289 5.6302  47687.27   1806.81  49738.45   3365.98  46857.01   2141.48  301.511 10.307  293.504 6.7364  8.006287       12.31326  
1 1 1 -5  13  22 o 171.115 3.7248  15882.45   690.337  15924.16   1606.66  15873.00   764.505  170.507 8.7291  171.033 4.1270  -0.5257416     9.655525  
1 1 1 -5  13  23 o 201.763 4.1762  22100.08   912.637  21718.10   2261.99  22174.35   997.423  198.430 10.563  202.054 4.5577  -3.623871      11.50412  
1 1 1 -5  13  24 o 50.298  2.1816  1371.27    118.852  1348.38    410.915  1373.36    124.158  48.991  8.0217  50.334  2.2774  -1.343170      8.338725  
1 1 1 -5  13  25 f 101.963 3.0810  5644.33    340.255  5965.82    668.134  5531.76    395.364  104.307 5.9386  100.893 3.6180  3.414246       6.953864  
1 1 1 -5  13  26 o 38.790  5.0488  836.055    207.091  912.946    459.192  816.423    232.027  39.544  10.533  38.172  5.7941  1.371353       12.02118  
1 1 1 -5  13  27 f 78.889  3.5958  3392.23    307.244  3590.02    588.061  3317.96    360.337  80.213  6.8339  77.799  4.2929  2.414528       8.070337  
1 1 1 -5  13  28 o 66.842  2.8577  2431.97    206.889  2087.12    268.714  2933.96    324.207  61.635  4.0477  73.106  4.1112  -11.47058      5.769405  
1 1 1 -5  13  29 o 55.574  4.3015  1706.52    256.900  1528.06    519.382  1764.33    295.591  50.525  9.8448  56.351  4.8915  -5.826168      10.99304  
1 1 1 -5  13  30 o 75.285  3.6282  3109.12    295.854  3624.66    594.302  2939.27    341.128  79.681  6.9560  72.878  4.3413  6.803040       8.199554  
1 1 1 -5  13  31 f 92.756  3.4303  4726.14    344.618  4440.33    687.507  4822.05    398.266  87.490  7.3225  93.485  3.9334  -5.994179      8.312032  
1 1 1 -5  13  32 o 65.958  4.0043  2419.55    284.713  3010.83    572.030  2224.84    328.262  71.375  7.5123  62.849  4.8600  8.526279       8.947290  
1 1 1 -5  13  33 o ?       ?       -233.5159  35.172   -234.8527  35.344   -97.3553   356.698  ?       ?       18.329  8.3112  0.000000       8.311241  
1 1 1 -5  13  34 o 65.873  4.9758  2531.95    352.391  0.0000     0.0000   2531.95    352.391  ?       ?       65.873  4.9758  0.000000       4.975828  
1 1 1 -5  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  3  o 149.216 3.2867  12062.44   531.181  11912.55   720.577  12240.83   786.099  148.262 4.4872  150.283 4.8294  -2.020676      6.592338  
1 1 1 -5  14  4  o 270.645 4.8029  39698.51   1407.89  39300.27   1990.87  40096.90   1991.26  269.178 6.8286  271.897 6.7617  -2.718597      9.609902  
1 1 1 -5  14  5  o 369.979 6.3055  74216.28   2526.76  73757.76   3573.29  74674.84   3573.48  368.616 8.9500  370.906 8.8952  -2.289886      12.61855  
1 1 1 -5  14  6  o 230.395 4.2285  28758.83   1055.18  28806.83   1492.36  28710.85   1492.15  230.539 5.9767  230.154 5.9858  0.3846588      8.458765  
1 1 1 -5  14  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  9  o 409.492 6.9403  90875.80   3078.19  91942.95   4353.42  89808.86   4353.03  411.741 9.7619  406.928 9.8765  4.813446       13.88671  
1 1 1 -5  14  10 o 871.315 28.877  416647.31  27251.90 416647.31  27251.90 0.0000     0.0000   871.315 28.877  ?       ?       0.000000       28.87694  
1 1 1 -5  14  11 o 920.835 30.571  466651.19  30490.54 466651.19  30490.54 0.0000     0.0000   920.835 30.571  ?       ?       0.000000       30.57124  
1 1 1 -5  14  12 o 643.860 21.428  226512.30  14943.32 0.0000     0.0000   226512.30  14943.32 ?       ?       643.860 21.428  0.000000       21.42817  
1 1 1 -5  14  13 o 517.415 9.9342  145315.59  5567.25  150292.09  9642.15  142826.91  6818.69  525.054 16.955  512.656 12.280  12.39777       20.93507  
1 1 1 -5  14  14 o 568.466 11.885  175734.41  7317.52  159045.59  17612.67 179216.09  8044.70  533.796 30.591  573.848 12.943  -40.05170      33.21652  
1 1 1 -5  14  15 o 242.146 4.7690  31780.43   1250.76  31076.62   3274.81  31900.63   1353.35  238.503 12.723  242.586 5.1508  -4.083221      13.72620  
1 1 1 -5  14  16 o 578.307 10.645  182081.59  6667.68  211187.09  19115.21 178049.70  7114.53  612.627 28.808  571.617 11.491  41.00922       31.01534  
1 1 1 -5  14  17 o 630.779 11.098  216984.00  7582.03  195054.20  21787.21 220005.91  8087.56  579.597 34.868  634.884 11.761  -55.28693      36.79845  
1 1 1 -5  14  18 o 549.106 9.7860  164333.30  5820.11  153733.50  16630.10 165812.70  6213.03  516.925 29.830  551.343 10.404  -34.41833      31.59192  
1 1 1 -5  14  19 o 412.286 6.9823  92399.73   3117.92  95209.19   6233.68  91462.38   3600.68  416.231 13.827  409.921 8.1099  6.310059       16.03016  
1 1 1 -5  14  20 f 130.322 3.2071  9205.76    452.682  9750.12    893.987  9018.05    524.958  133.959 6.1615  128.965 3.7582  4.994507       7.217248  
1 1 1 -5  14  21 o 152.010 3.3532  12527.39   552.070  12985.89   1100.98  12373.39   638.088  154.525 6.5783  151.043 3.9004  3.481369       7.647677  
1 1 1 -5  14  22 o 78.366  3.1823  3329.75    270.105  3532.97    536.314  3260.68    312.651  80.352  6.2107  77.532  3.7231  2.819420       7.241160  
1 1 1 -5  14  23 o 91.045  3.1483  4495.46    310.455  4735.38    603.551  4409.14    362.020  93.076  6.0192  90.142  3.7080  2.934174       7.069600  
1 1 1 -5  14  24 f 45.060  4.2335  1112.95    204.193  1291.23    398.900  1049.65    237.696  47.925  7.9643  43.621  5.1290  4.304611       9.472939  
1 1 1 -5  14  25 o 138.307 3.2714  10389.27   490.056  11330.31   971.031  10067.68   567.649  143.891 6.2306  136.074 3.8515  7.816803       7.324933  
1 1 1 -5  14  26 o 66.210  3.4479  2391.20    246.403  2900.71    533.800  2253.25    277.767  72.220  6.9085  64.183  4.0159  8.036995       7.990897  
1 1 1 -5  14  27 o 7.9604  2.8115  29.927     30.223   26.987     30.452   223.219    246.889  7.7676  2.8129  21.921  7.9984  -14.15304      8.478614  
1 1 1 -5  14  28 o 130.924 3.3352  9348.39    472.950  8713.85    944.196  9560.93    546.444  124.734 7.0174  132.261 3.8145  -7.527359      7.987143  
1 1 1 -5  14  29 o 13.167  6.1193  -176.3979  210.433  24.683     436.279  -237.3621  240.224  22.755  9.7919  13.620  6.3972  9.134699       11.69643  
1 1 1 -5  14  30 o 43.461  5.2829  1065.20    243.566  1182.90    496.203  1027.84    279.564  43.586  10.611  42.340  6.2872  1.246479       12.33346  
1 1 1 -5  14  31 o 37.686  6.2765  824.582    247.181  802.810    492.262  831.922    285.827  35.488  11.340  37.440  7.3107  -1.952572      13.49229  
1 1 1 -5  14  32 o 40.428  2.1483  893.600    93.730   661.391    498.893  902.097    95.430   32.365  11.424  40.615  2.1773  -8.249294      11.62928  
1 1 1 -5  14  33 o 32.613  2.0413  583.081    71.744   574.851    74.248   698.964    278.610  32.364  2.1300  33.342  7.8458  -0.9780655     8.129767  
1 1 1 -5  14  34 o 21.796  8.4430  270.757    284.242  0.0000     0.0000   270.757    284.242  ?       ?       21.796  8.4430  0.000000       8.442970  
1 1 1 -5  14  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  15  1  o 273.895 5.4280  40668.42   1610.25  39144.91   2123.17  42731.33   2470.59  268.603 7.2980  280.575 8.1298  -11.97177      10.92496  
1 1 1 -5  15  2  o 167.029 3.4521  15114.76   624.508  14976.10   882.900  15253.59   883.476  166.226 4.9039  167.760 4.8622  -1.534088      6.905782  
1 1 1 -5  15  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  15  5  o 529.628 10.168  152335.59  5832.85  150733.50  7143.94  155539.41  10102.25 526.453 12.529  533.708 17.476  -7.254761      21.50313  
1 1 1 -5  15  6  o 410.431 6.8924  91321.15   3063.95  90717.30   4333.05  91925.02   4333.12  408.855 9.7848  411.574 9.7204  -2.718231      13.79234  
1 1 1 -5  15  7  o 544.256 9.0667  160648.91  5344.71  162590.91  7558.68  158706.91  7558.44  547.148 12.755  540.554 12.910  6.593628       18.14795  
1 1 1 -5  15  8  o 310.541 5.4492  52248.64   1832.81  50791.01   2592.09  53706.04   2591.89  306.104 7.8183  314.774 7.6023  -8.669556      10.90508  
1 1 1 -5  15  9  o 456.845 8.2927  113144.60  4103.29  120180.70  6360.08  108127.60  5370.49  470.523 12.480  446.415 11.107  24.10770       16.70682  
1 1 1 -5  15  10 o 998.781 33.166  549877.00  35878.60 549877.00  35878.60 0.0000     0.0000   998.781 33.166  ?       ?       0.000000       33.16616  
1 1 1 -5  15  11 o 339.157 7.4637  62354.44   2741.75  61093.27   6383.42  62639.73   3036.06  334.494 17.682  339.895 8.2470  -5.400848      19.51097  
1 1 1 -5  15  12 o 506.000 16.981  139449.80  9306.35  0.0000     0.0000   139449.80  9306.35  ?       ?       506.000 16.981  0.000000       16.98080  
1 1 1 -5  15  13 o 822.346 15.646  368370.81  13935.91 354867.00  24136.70 375123.59  17068.28 802.122 27.782  828.700 19.016  -26.57751      33.66700  
1 1 1 -5  15  14 o 721.326 11.924  282991.00  9316.04  296137.81  18632.02 278608.81  10757.24 733.387 23.456  715.172 13.887  18.21436       27.25894  
1 1 1 -5  15  15 o 274.659 5.2334  40896.04   1556.86  38836.15   4167.75  41230.09   1678.36  266.342 14.502  275.757 5.6194  -9.414337      15.55273  
1 1 1 -5  15  16 o 338.080 6.7503  62034.17   2471.79  60623.96   6241.49  62296.48   2691.88  331.723 17.433  338.726 7.3373  -7.003571      18.91403  
1 1 1 -5  15  17 o 304.664 6.2443  50379.81   2060.50  49774.95   5154.87  50494.83   2247.89  300.588 15.890  304.947 6.8058  -4.359070      17.28606  
1 1 1 -5  15  18 o 240.160 4.5783  31279.38   1190.91  29526.44   2230.62  31978.25   1408.44  232.882 8.8434  242.764 5.3565  -9.882568      10.33917  
1 1 1 -5  15  19 o 51.922  2.3861  1460.64    134.189  1488.30    397.846  1457.09    142.542  51.814  7.2908  51.858  2.5378  -0.4349518E-01 7.719880  
1 1 1 -5  15  20 o 153.515 3.4634  12776.08   575.875  12400.04   1104.84  12916.35   674.789  151.018 6.7546  154.327 4.0370  -3.308578      7.869027  
1 1 1 -5  15  21 o 147.093 3.2954  11729.78   525.008  13836.68   1048.67  11025.07   606.486  159.553 6.0683  142.574 3.9275  16.97966       7.228317  
1 1 1 -5  15  22 o 130.301 3.2464  9206.07    458.157  10569.08   903.747  8734.60    531.521  139.406 5.9854  126.887 3.8675  12.51883       7.126213  
1 1 1 -5  15  23 o 165.683 3.5332  14893.15   634.040  15224.06   1264.37  14781.98   732.846  167.071 6.9872  165.011 4.1004  2.059937       8.101486  
1 1 1 -5  15  24 o 120.781 3.1565  7915.54    412.929  7832.76    804.883  7945.10    481.062  119.655 6.2321  120.965 3.6717  -1.310760      7.233333  
1 1 1 -5  15  25 o 120.061 3.0658  7826.54    398.673  6747.12    779.091  8209.45    464.029  110.785 6.5217  122.916 3.4855  -12.13170      7.394659  
1 1 1 -5  15  26 o 50.715  2.3418  1395.84    128.631  1362.45    151.722  1481.18    242.562  50.003  2.8129  51.929  4.3528  -1.925983      5.182612  
1 1 1 -5  15  27 o 95.696  3.0542  4983.30    316.568  5255.14    517.706  4820.95    400.082  97.908  4.8820  93.977  3.9306  3.930740       6.267632  
1 1 1 -5  15  28 o 107.731 3.3081  6329.39    386.006  6581.55    770.993  6245.04    445.919  108.555 6.5886  106.878 3.8521  1.677162       7.632020  
1 1 1 -5  15  29 o 15.273  6.7093  -42.8567   213.882  -15.8511   440.894  -51.1678   244.589  22.351  9.7301  16.254  7.1567  6.096872       12.07862  
1 1 1 -5  15  30 f 70.970  3.7605  2773.66    288.030  2366.51    579.511  2907.24    331.932  63.310  8.6797  72.500  4.2456  -9.189976      9.662375  
1 1 1 -5  15  31 o 66.292  2.6815  2401.23    192.534  3246.91    566.636  2290.85    204.713  74.864  7.0719  64.697  2.9214  10.16708       7.651588  
1 1 1 -5  15  32 o 52.349  2.4761  1497.62    140.395  1100.91    528.758  1527.71    145.622  40.479  11.513  52.859  2.5435  -12.37970      11.79053  
1 1 1 -5  15  33 o 17.739  1.6499  172.822    31.336   393.538    470.722  171.839    31.406   26.755  10.709  17.686  1.6589  9.068758       10.83716  
1 1 1 -5  15  34 o 53.630  2.4755  1586.15    143.796  0.0000     0.0000   1586.15    143.796  ?       ?       53.630  2.4755  0.000000       2.475518  
1 1 1 -5  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  16  1  o 185.934 3.4549  18729.86   695.775  18089.07   983.753  19371.23   984.195  182.686 4.9718  189.054 4.8064  -6.368774      6.915238  
1 1 1 -5  16  2  o 93.929  2.5806  4778.99    262.538  4459.21    376.097  5082.91    366.652  90.720  3.8276  96.860  3.4949  -6.140739      5.183157  
1 1 1 -5  16  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  16  4  o 111.418 2.6785  6724.25    323.233  6500.40    456.821  6948.68    457.421  109.536 3.8505  113.251 3.7291  -3.715492      5.360289  
1 1 1 -5  16  5  o 612.471 20.441  205257.70  13559.74 205257.70  13559.74 0.0000     0.0000   612.471 20.441  ?       ?       0.000000       20.44070  
1 1 1 -5  16  6  o 592.253 13.908  190698.91  8921.60  189249.80  12616.85 192148.00  12617.25 588.826 19.783  593.353 19.633  -4.526794      27.87139  
1 1 1 -5  16  7  o 227.408 4.2212  28014.27   1039.71  27956.01   1470.92  28072.44   1469.82  227.137 5.9790  227.610 5.9622  -0.4728546     8.443707  
1 1 1 -5  16  8  o 285.159 5.0453  44053.77   1558.28  44818.59   2204.07  43289.40   2203.41  287.570 7.0764  282.618 7.1982  4.952179       10.09403  
1 1 1 -5  16  9  o 728.866 13.838  288543.41  10924.04 290273.41  13379.45 285083.81  18920.17 730.519 16.910  722.310 24.184  8.209290       29.50955  
1 1 1 -5  16  10 o 303.650 5.3296  49956.01   1752.82  49062.97   2479.27  50848.46   2478.45  300.850 7.6086  306.281 7.4712  -5.430511      10.66346  
1 1 1 -5  16  11 o 746.797 14.046  303093.09  11360.96 283617.31  19676.06 312833.59  13914.88 719.586 25.246  758.094 16.947  -38.50793      30.40611  
1 1 1 -5  16  12 f 686.094 16.051  256251.30  11927.46 0.0000     0.0000   256251.30  11927.46 ?       ?       686.094 16.051  0.000000       16.05070  
1 1 1 -5  16  13 o 739.582 14.106  297676.00  11299.56 308049.50  19571.12 292489.00  13839.19 748.835 24.130  732.159 17.452  16.67603       29.77952  
1 1 1 -5  16  14 o 149.340 3.2854  12081.98   531.415  11560.19   1059.17  12257.51   614.334  146.002 6.6979  150.413 3.7709  -4.410797      7.686431  
1 1 1 -5  16  15 o 498.219 8.3635  134793.30  4513.13  129666.30  9024.27  136503.30  5211.70  486.534 17.125  501.151 9.6015  -14.61752      19.63295  
1 1 1 -5  16  16 o 441.708 7.9201  105987.20  3789.10  97636.79   10691.16 107186.80  4052.13  418.235 23.699  444.111 8.4241  -25.87585      25.15133  
1 1 1 -5  16  17 o 244.796 4.4460  32490.01   1178.81  31944.44   2352.68  32672.89   1362.12  242.303 8.9646  245.437 5.1240  -3.133881      10.32568  
1 1 1 -5  16  18 o 301.681 5.2664  49381.57   1720.79  49752.28   3440.46  49257.89   1987.21  301.950 10.520  301.205 6.0913  0.7443848      12.15617  
1 1 1 -5  16  19 o 180.979 3.6231  17755.99   710.190  17938.84   1418.26  17694.79   820.466  181.633 7.2093  180.636 4.1936  0.9973450      8.340257  
1 1 1 -5  16  20 o 269.744 4.8423  39485.49   1414.73  34792.03   2826.07  41054.99   1634.24  252.283 10.342  274.972 5.4873  -22.68930      11.70799  
1 1 1 -5  16  21 o 328.460 5.7528  58619.12   2046.58  60017.55   4091.80  58152.56   2363.45  330.754 11.422  326.964 6.6739  3.790253       13.22877  
1 1 1 -5  16  22 o 195.690 3.7919  20774.06   803.700  21253.98   1607.98  20614.25   927.921  197.444 7.5191  194.879 4.3962  2.565094       8.709982  
1 1 1 -5  16  23 o 49.051  1.8022  1303.61    95.748   1386.20    420.796  1299.10    98.328   49.731  8.0903  48.966  1.8540  0.7656898      8.299986  
1 1 1 -5  16  24 o 29.547  5.8673  492.561    181.146  399.400    361.183  523.870    209.384  28.197  9.7348  30.398  6.5525  -2.201157      11.73465  
1 1 1 -5  16  25 f 73.047  3.1633  2897.82    250.270  3266.88    495.081  2771.14    290.060  77.056  5.9788  71.292  3.7699  5.763779       7.068110  
1 1 1 -5  16  26 o 34.715  5.4225  675.462    197.219  898.930    467.383  627.053    217.535  39.206  10.705  33.246  6.2711  5.960491       12.40688  
1 1 1 -5  16  27 o 38.604  5.7321  837.782    232.395  840.670    477.228  836.884    266.074  37.752  10.999  38.357  6.6453  -0.6047668     12.85079  
1 1 1 -5  16  28 o 64.205  3.9015  2262.61    270.026  2863.05    547.259  2069.38    310.448  71.194  7.1959  61.199  4.7200  9.994484       8.605740  
1 1 1 -5  16  29 o 105.026 3.3275  6027.02    378.522  6274.59    758.140  5944.82    436.869  105.576 6.6642  104.144 3.8730  1.431808       7.707903  
1 1 1 -5  16  30 f 57.608  2.0511  1804.86    127.981  1680.91    530.408  1812.52    131.878  52.666  9.6541  57.723  2.1094  -5.056400      9.881886  
1 1 1 -5  16  31 o 32.560  6.2825  620.301    213.533  875.523    481.018  557.661    238.301  36.873  11.120  30.513  7.3071  6.360020       13.30565  
1 1 1 -5  16  32 o 91.513  3.4988  4619.08    346.798  4189.14    691.836  4763.37    400.788  84.029  7.6867  92.678  3.9927  -8.649155      8.661836  
1 1 1 -5  16  33 o 46.071  5.2448  1229.17    257.048  698.056    516.470  1404.05    296.362  31.698  11.568  49.002  5.6898  -17.30385      12.89163  
1 1 1 -5  16  34 o 16.532  7.4143  -26.9718   275.038  0.0000     0.0000   -26.9718   275.038  ?       ?       16.532  7.4143  0.000000       7.414258  
1 1 1 -5  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  1  o 353.971 7.1359  67968.86   2735.81  66813.49   4740.36  68545.88   3350.04  350.338 12.493  355.323 8.7048  -4.985626      15.22626  
1 1 1 -5  17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  3  o 247.419 4.4406  33171.46   1189.99  33320.95   1682.77  33021.92   1683.04  247.902 6.2672  246.786 6.2966  1.116257       8.883936  
1 1 1 -5  17  4  f 390.897 7.6508  82880.46   3239.20  82345.71   3967.51  83949.46   5609.59  389.476 9.4052  392.797 13.185  -3.321442      16.19603  
1 1 1 -5  17  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  8  o 177.355 3.5328  17037.61   678.624  17521.34   960.256  16554.96   959.184  179.839 4.9298  174.808 5.0661  5.031570       7.068832  
1 1 1 -5  17  9  o 577.657 9.5552  180965.09  5978.31  184656.00  8454.96  177274.91  8454.26  583.120 13.387  571.314 13.663  11.80609       19.12788  
1 1 1 -5  17  10 o 477.276 7.8998  123489.10  4083.73  122340.20  5775.37  124637.90  5775.15  474.799 11.231  479.246 11.126  -4.447205      15.80853  
1 1 1 -5  17  11 o 338.603 6.7056  62140.79   2459.22  63298.51   4257.40  61561.07   3012.66  341.470 11.511  336.948 8.2550  4.521790       14.16522  
1 1 1 -5  17  12 o 406.690 9.7647  89748.09   4301.23  0.0000     0.0000   89748.09   4301.23  ?       ?       406.690 9.7647  0.000000       9.764696  
1 1 1 -5  17  13 o 558.425 10.750  169377.70  6502.10  175209.20  11261.61 166461.70  7963.53  566.354 18.359  553.165 13.292  13.18915       22.66522  
1 1 1 -5  17  14 o 475.109 7.9841  122494.10  4108.55  127807.80  8216.83  120722.70  4744.19  483.895 15.678  471.491 9.2901  12.40381       18.22352  
1 1 1 -5  17  15 o 492.445 8.8188  131740.09  4703.68  123514.50  8700.42  135137.09  5591.21  474.836 16.917  498.458 10.356  -23.62234      19.83541  
1 1 1 -5  17  16 o 225.539 4.4916  27575.78   1097.22  28584.41   2059.98  27176.29   1296.42  229.346 8.2928  223.852 5.3471  5.493729       9.867189  
1 1 1 -5  17  17 o 138.710 3.3160  10426.48   498.193  10499.77   958.511  10399.35   583.150  139.075 6.3632  138.512 3.8871  0.5624237      7.456553  
1 1 1 -5  17  18 o 106.164 2.8828  6107.25    331.484  5841.60    672.372  6192.55    381.004  103.554 6.0207  106.893 3.2909  -3.338829      6.861406  
1 1 1 -5  17  19 o 415.600 7.6811  93974.29   3457.56  93352.66   9718.05  94064.38   3699.64  406.858 22.136  415.660 8.2177  -8.801788      23.61235  
1 1 1 -5  17  20 o 122.926 3.0302  8189.96    403.453  7976.96    809.062  8260.46    465.454  121.004 6.1940  123.438 3.4814  -2.434074      7.105338  
1 1 1 -5  17  21 o 174.392 3.7044  16492.90   699.712  16634.75   1333.91  16439.05   821.862  174.823 7.0446  174.061 4.3594  0.7626953      8.284363  
1 1 1 -5  17  22 o 190.800 4.0031  19752.94   827.270  19744.65   1558.68  19756.20   976.097  190.291 7.5626  190.744 4.7247  -0.4528046     8.917112  
1 1 1 -5  17  23 o 191.573 3.8307  19919.04   794.843  19302.49   1585.41  20126.04   918.633  187.936 7.7886  192.497 4.4060  -4.561478      8.948517  
1 1 1 -5  17  24 o 118.693 3.1252  7644.58    401.772  7670.34    786.230  7635.47    467.408  118.399 6.1522  118.580 3.6393  -0.1812057     7.147982  
1 1 1 -5  17  25 o 54.387  3.5768  1614.66    209.519  1000.99    410.793  1830.42    243.583  41.684  9.3313  57.880  3.9084  -16.19512      10.11673  
1 1 1 -5  17  26 o 99.926  3.0458  5427.90    329.643  6861.22    712.254  5037.20    371.867  111.617 5.9127  96.195  3.5692  15.42258       6.906432  
1 1 1 -5  17  27 o 82.361  3.5313  3697.87    315.014  4283.43    621.858  3495.74    365.361  87.698  6.5952  79.853  4.2395  7.844048       7.840255  
1 1 1 -5  17  28 o 92.951  3.4148  4715.01    343.781  5518.97    677.124  4435.81    399.036  99.461  6.3183  90.006  4.0933  9.454849       7.528365  
1 1 1 -5  17  29 o 50.128  4.7654  1397.76    255.619  1372.58    508.237  1406.28    295.747  47.619  10.164  50.050  5.5490  -2.431393      11.57974  
1 1 1 -5  17  30 o 42.997  2.4317  1010.39    112.780  2012.47    500.630  956.819    115.755  58.581  8.1076  41.815  2.5683  16.76579       8.504661  
1 1 1 -5  17  31 o 57.198  4.2986  1822.98    264.359  1751.71    532.770  1846.25    304.488  53.277  9.5851  57.304  4.9546  -4.026398      10.78992  
1 1 1 -5  17  32 o 59.479  4.3084  1979.69    275.679  2317.31    554.366  1868.78    317.754  61.688  8.5249  57.378  5.1685  4.310303       9.969344  
1 1 1 -5  17  33 o 14.668  6.6451  -82.3612   227.421  363.381    462.495  -224.5111  261.179  26.077  10.553  14.073  6.6290  12.00402       12.46202  
1 1 1 -5  17  34 o 17.692  8.1642  -111.8378  364.778  0.0000     0.0000   -111.8378  364.778  ?       ?       17.692  8.1642  0.000000       8.164155  
1 1 1 -5  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  1  o 420.716 14.299  96464.99   6515.91  96464.99   6515.91  0.0000     0.0000   420.716 14.299  ?       ?       0.000000       14.29933  
1 1 1 -5  18  2  o 368.054 6.2318  73446.00   2484.24  70041.74   3512.93  76851.48   3513.56  359.193 9.0297  376.290 8.6209  -17.09671      12.48421  
1 1 1 -5  18  3  o 655.918 21.906  236135.59  15562.41 0.0000     0.0000   236135.59  15562.41 ?       ?       655.918 21.906  0.000000       21.90571  
1 1 1 -5  18  4  o 370.224 6.4439  74303.51   2583.95  73020.71   3654.07  75586.56   3654.44  366.821 9.1971  373.223 9.0403  -6.402222      12.89629  
1 1 1 -5  18  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  8  o 615.332 10.200  205369.50  6798.17  204031.91  9614.11  206707.00  9614.03  612.840 14.484  616.857 14.390  -4.017151      20.41695  
1 1 1 -5  18  9  o 744.296 14.140  300949.91  11398.58 295749.59  13960.48 311349.91  19742.54 737.227 17.484  754.786 24.150  -17.55798      29.81400  
1 1 1 -5  18  10 o 176.249 3.5461  16826.08   676.940  16952.29   961.796  16702.20   952.940  176.889 5.0201  175.580 5.0110  1.309525       7.093019  
1 1 1 -5  18  11 o 581.456 11.124  183514.59  7005.48  186310.09  12132.86 182116.59  8580.27  584.550 19.163  578.896 13.685  5.654053       23.54783  
1 1 1 -5  18  12 o 335.478 8.2050  61036.90   2981.37  0.0000     0.0000   61036.90   2981.37  ?       ?       335.478 8.2050  0.000000       8.205039  
1 1 1 -5  18  13 o 149.077 3.7986  12040.09   613.346  11209.21   1059.06  12459.41   752.361  143.781 6.8007  151.638 4.5809  -7.857178      8.199607  
1 1 1 -5  18  14 o 194.659 4.0116  20531.54   845.793  21791.28   1599.16  20042.29   996.591  200.415 7.3670  192.304 4.7847  8.111099       8.784454  
1 1 1 -5  18  15 o 506.123 8.4648  139139.00  4640.25  134436.80  9278.55  140707.30  5358.47  495.159 17.301  508.725 9.7250  -13.56628      19.84669  
1 1 1 -5  18  16 o 38.596  4.1181  816.593    169.492  1030.81    330.932  740.419    197.340  42.967  7.3768  36.597  5.1185  6.369228       8.978693  
1 1 1 -5  18  17 o 181.593 3.6846  17872.75   724.701  17537.36   1446.05  17985.24   837.460  179.656 7.4314  182.139 4.2451  -2.483200      8.558466  
1 1 1 -5  18  18 o 206.704 4.2207  23167.76   944.928  22396.45   2370.82  23313.43   1030.30  202.236 10.863  207.329 4.5881  -5.093216      11.79250  
1 1 1 -5  18  19 o 111.745 2.9905  6767.16    361.940  7004.71    725.164  6688.35    417.685  113.418 5.9237  111.079 3.4718  2.338959       6.866120  
1 1 1 -5  18  20 o 88.920  3.0202  4285.43    290.870  4855.33    578.566  4092.67    336.486  94.381  5.6863  86.883  3.5757  7.497513       6.717142  
1 1 1 -5  18  21 o 224.346 4.1641  27305.42   1011.84  31305.27   2023.16  25971.19   1168.48  239.683 7.7933  218.717 4.9325  20.96562       9.223080  
1 1 1 -5  18  22 o 118.355 3.0691  7594.69    393.426  7067.02    765.687  7783.97    458.594  113.798 6.2360  119.799 3.5343  -6.000549      7.167887  
1 1 1 -5  18  23 o 55.263  2.4339  1655.40    145.685  1560.17    177.302  1853.34    255.608  53.548  3.0699  58.284  4.0747  -4.736679      5.101676  
1 1 1 -5  18  24 o 38.558  1.3858  805.474    57.875   963.771    83.949   662.098    79.895   42.171  1.8380  34.885  2.1247  7.286392       2.809327  
1 1 1 -5  18  25 o 77.274  3.0888  3242.90    258.523  3393.08    509.830  3190.91    299.945  78.507  6.0422  76.613  3.6147  1.894676       7.040885  
1 1 1 -5  18  26 o 90.676  3.0523  4470.06    299.768  5034.31    653.788  4319.86    337.314  95.411  6.3631  89.086  3.4959  6.325058       7.260150  
1 1 1 -5  18  27 o 44.751  4.9592  1111.75    236.328  1617.68    487.061  955.958    270.276  52.944  8.8029  41.145  6.2624  11.79832       10.80315  
1 1 1 -5  18  28 o 29.923  6.9977  519.921    222.746  259.182    460.953  599.355    254.423  26.710  10.629  32.063  7.4656  -5.353792      12.98854  
1 1 1 -5  18  29 o 46.197  1.6112  1158.22    80.616   750.021    489.912  1169.58    81.730   35.334  11.315  46.422  1.6255  -11.08800      11.43139  
1 1 1 -5  18  30 f 35.620  6.2965  733.973    234.036  553.937    482.141  789.470    267.688  31.230  11.208  36.730  6.9841  -5.499792      13.20587  
1 1 1 -5  18  31 o 30.687  7.1082  562.561    231.620  972.544    476.079  435.427    265.111  38.802  10.886  26.978  8.2801  11.82348       13.67691  
1 1 1 -5  18  32 o 68.394  3.9084  2601.27    288.329  2806.42    584.049  2535.16    331.546  68.299  8.0498  67.189  4.5833  1.109749       9.263150  
1 1 1 -5  18  33 o 47.665  5.2073  1316.91    264.463  1340.51    521.154  1308.72    306.916  43.445  11.050  46.901  6.1934  -3.455608      12.66700  
1 1 1 -5  18  34 o 27.107  9.8545  518.706    374.276  0.0000     0.0000   518.706    374.276  ?       ?       27.107  9.8545  0.000000       9.854512  
1 1 1 -5  18  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  19  1  o 169.555 3.6397  15575.01   668.413  15977.77   945.243  15172.20   945.314  171.703 5.0827  167.315 5.2164  4.387726       7.283197  
1 1 1 -5  19  2  o 456.057 15.399  113376.00  7606.27  113376.00  7606.27  0.0000     0.0000   456.057 15.399  ?       ?       0.000000       15.39864  
1 1 1 -5  19  3  o 299.523 5.3119  48619.24   1723.25  48648.62   2436.86  48589.85   2437.21  299.507 7.5120  299.326 7.5176  0.1812439      10.62752  
1 1 1 -5  19  4  f 469.401 7.9052  119489.40  4019.10  117050.70  5683.64  121928.40  5684.10  464.251 11.303  473.852 11.075  -9.600983      15.82472  
1 1 1 -5  19  5  o 398.444 6.7438  86049.09   2910.31  82523.83   4115.38  89575.78   4116.21  390.015 9.7422  406.366 9.3521  -16.35101      13.50458  
1 1 1 -5  19  6  f 351.133 6.0140  66809.49   2287.22  66171.62   3234.32  67447.60   3234.92  349.348 8.5478  352.704 8.4680  -3.356018      12.03215  
1 1 1 -5  19  7  o 501.289 8.2873  136227.00  4499.59  133183.30  6363.17  139271.00  6363.59  495.390 11.859  506.609 11.597  -11.21863      16.58733  
1 1 1 -5  19  8  o 306.452 5.3489  50880.51   1775.40  50482.69   2511.20  51278.08   2510.40  305.184 7.5971  307.581 7.5355  -2.396942      10.70046  
1 1 1 -5  19  9  o 511.246 8.4548  141707.70  4681.68  139012.91  6621.15  144402.00  6620.65  506.062 12.080  515.800 11.851  -9.738403      16.92228  
1 1 1 -5  19  10 o 240.274 4.2915  31274.55   1116.83  32419.77   1581.27  30134.60   1577.62  244.598 5.9687  235.815 6.1768  8.783081       8.589444  
1 1 1 -5  19  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  19  12 o 419.455 10.074  95495.91   4576.76  93307.97   6473.74  97682.21   6471.31  414.135 14.433  423.776 14.099  -9.640442      20.17617  
1 1 1 -5  19  13 o 330.007 6.5664  59047.90   2347.05  60033.91   4005.01  58532.16   2896.55  332.379 11.125  328.457 8.1420  3.922668       13.78615  
1 1 1 -5  19  14 o 378.504 6.9740  77714.75   2859.06  76597.43   7975.95  77879.49   3062.58  373.083 19.809  378.859 7.4634  -5.776398      21.16851  
1 1 1 -5  19  15 o 178.101 3.5809  17187.42   690.764  16806.27   1373.70  17316.41   799.151  175.967 7.2076  178.751 4.1277  -2.784698      8.305854  
1 1 1 -5  19  16 o 358.722 6.1838  69828.59   2402.59  69074.56   4803.89  70080.10   2774.53  355.682 12.470  359.248 7.1306  -3.566315      14.36462  
1 1 1 -5  19  17 o 281.392 5.0334  42947.23   1534.07  42727.24   3066.41  43020.66   1771.73  280.013 10.111  281.560 5.8097  -1.546387      11.66101  
1 1 1 -5  19  18 o 125.415 3.0882  8523.79    419.491  7750.08    832.712  8786.91    485.612  119.276 6.4699  127.323 3.5214  -8.046898      7.366153  
1 1 1 -5  19  19 o 352.333 6.0847  67427.95   2322.00  72047.17   4643.00  65887.33   2681.41  362.708 11.819  348.095 7.1121  14.61319       13.79364  
1 1 1 -5  19  20 o 425.837 8.4916  98841.72   3916.55  92270.05   10067.25 100013.70  4251.47  402.560 23.187  428.125 9.1685  -25.56458      24.93416  
1 1 1 -5  19  21 o 267.301 4.8748  38789.87   1411.32  40068.54   2817.31  38361.49   1630.68  270.705 9.6088  265.705 5.6663  4.999573       11.15507  
1 1 1 -5  19  22 o 195.397 3.8331  20713.82   811.222  20729.92   1611.88  20708.36   938.778  194.951 7.6338  195.311 4.4378  -0.3602448     8.829972  
1 1 1 -5  19  23 o 163.047 3.5164  14424.89   620.983  14907.14   1237.73  14262.67   717.870  165.290 6.9137  162.072 4.0895  3.217606       8.032627  
1 1 1 -5  19  24 o 128.887 3.1837  9015.88    444.441  9762.99    869.548  8751.68    517.087  133.748 6.0025  126.930 3.7612  6.818626       7.083596  
1 1 1 -5  19  25 o 66.486  2.4680  2398.33    177.721  2631.02    238.309  2106.77    266.761  69.595  3.1615  62.095  3.9875  7.500290       5.088688  
1 1 1 -5  19  26 o 142.195 3.4573  11005.86   532.467  12625.94   1155.74  10569.33   599.929  151.089 7.0625  139.232 3.9782  11.85669       8.105873  
1 1 1 -5  19  27 o 116.188 3.2635  7353.15    410.688  7300.52    825.383  7370.47    473.458  114.541 6.6821  116.215 3.7614  -1.673546      7.668034  
1 1 1 -5  19  28 o 89.942  3.3380  4414.36    325.178  4380.74    657.026  4425.26    374.226  88.254  6.9292  89.942  3.8415  -1.687790      7.922774  
1 1 1 -5  19  29 o 18.687  2.1868  192.432    43.423   526.467    451.677  189.316    43.625   30.840  10.871  18.528  2.2179  12.31142       11.09524  
1 1 1 -5  19  30 o 114.116 3.3175  7134.46    410.040  8189.89    827.180  6790.62    472.130  120.273 6.3726  111.078 3.9243  9.195068       7.483982  
1 1 1 -5  19  31 o 59.416  4.1384  1963.39    264.662  2072.29    542.424  1929.36    303.203  58.494  8.8371  58.626  4.8176  -0.1314392     10.06497  
1 1 1 -5  19  32 o 17.139  7.1671  60.805     222.674  216.464    459.504  13.033     254.561  24.777  10.323  17.247  7.4505  7.529743       12.73064  
1 1 1 -5  19  33 o 27.032  7.8287  465.279    242.408  252.799    483.805  536.501    280.104  24.660  10.452  28.733  8.4426  -4.073547      13.43575  
1 1 1 -5  19  34 o 7.7392  2.9395  24.124     33.997   0.0000     0.0000   24.124     33.997   ?       ?       7.7392  2.9395  0.000000       2.939475  
1 1 1 -5  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  20  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  20  2  o 333.065 5.6115  60122.17   2024.30  61812.58   2862.76  58431.69   2862.82  337.591 7.8293  328.214 8.0532  9.376587       11.23174  
1 1 1 -5  20  3  o 104.899 2.6085  5960.00    296.366  5947.58    418.880  5972.45    419.370  104.781 3.6909  105.000 3.6876  -0.2188721     5.217379  
1 1 1 -5  20  4  o 434.010 7.3672  102120.00  3463.14  101735.60  4897.43  102504.40  4897.81  432.956 10.444  434.592 10.405  -1.636292      14.74240  
1 1 1 -5  20  5  o 475.952 7.9520  122812.90  4099.27  119979.80  5796.89  125646.70  5797.60  470.159 11.384  481.158 11.125  -10.99954      15.91688  
1 1 1 -5  20  6  o 500.964 8.3505  136058.09  4530.97  131941.00  6407.42  140176.20  6408.10  493.042 11.999  508.230 11.641  -15.18723      16.71777  
1 1 1 -5  20  7  o 634.921 10.544  218673.70  7251.18  220998.00  10254.58 216349.30  10254.84 637.771 14.845  631.005 15.005  6.765686       21.10726  
1 1 1 -5  20  8  o 333.219 5.7890  60161.70   2089.30  60601.26   2954.78  59722.17   2954.66  334.350 8.1593  331.913 8.2189  2.436371       11.58121  
1 1 1 -5  20  9  o 471.686 8.5949  120632.40  4390.99  118310.80  6808.04  122286.00  5745.82  466.720 13.468  474.713 11.175  -7.992157      17.50037  
1 1 1 -5  20  10 o 690.961 11.355  259132.91  8497.92  262303.31  12018.22 255962.80  12017.53 694.412 15.979  685.931 16.176  8.481812       22.73734  
1 1 1 -5  20  11 o 320.547 6.4615  55689.70   2243.33  57535.94   3886.95  54767.57   2747.02  325.565 11.023  317.814 7.9803  7.750854       13.60853  
1 1 1 -5  20  12 o 440.587 10.549  105393.20  5033.91  97316.84   7119.52  113467.30  7118.52  422.737 15.549  456.650 14.392  -33.91324      21.18783  
1 1 1 -5  20  13 o 591.710 9.7869  190130.70  6272.27  181056.80  12542.92 193156.30  7242.90  574.871 20.145  596.143 11.217  -21.27258      23.05719  
1 1 1 -5  20  14 o 599.878 9.9613  195564.59  6472.15  206898.00  12944.23 191786.70  7473.41  613.992 19.465  593.680 11.622  20.31195       22.67041  
1 1 1 -5  20  15 o 501.740 8.4521  136764.80  4593.16  139170.30  9185.01  135962.59  5303.98  503.772 16.834  499.995 9.7941  3.777405       19.47544  
1 1 1 -5  20  16 o 220.773 4.1635  26420.38   995.584  27234.89   1989.27  26148.19   1149.97  223.849 8.2048  219.597 4.8349  4.251617       9.523406  
1 1 1 -5  20  17 o 54.706  1.8435  1621.08    109.230  1253.34    167.347  1894.05    144.178  47.983  3.2390  59.130  2.2513  -11.14697      3.944524  
1 1 1 -5  20  18 o 286.366 5.1091  44494.02   1584.65  45474.14   3167.66  44166.86   1830.11  288.708 10.130  285.219 5.9242  3.489319       11.73510  
1 1 1 -5  20  19 o 124.734 3.1238  8432.41    422.018  8232.98    850.314  8497.59    486.114  122.928 6.4086  125.199 3.5848  -2.271156      7.343126  
1 1 1 -5  20  20 o 68.521  3.2160  2545.06    238.677  2116.54    463.546  2699.66    278.421  61.985  7.0288  70.467  3.6605  -8.482174      7.924885  
1 1 1 -5  20  21 o 31.830  1.3881  548.776    47.856   19.068     346.629  559.069    48.318   21.001  8.8710  32.127  1.3886  -11.12574      8.979049  
1 1 1 -5  20  22 o 282.354 5.3571  43330.01   1638.31  40727.37   4389.96  43751.14   1765.89  270.028 15.070  283.645 5.7480  -13.61789      16.12917  
1 1 1 -5  20  23 o 189.931 3.7898  19581.37   779.631  20748.84   1555.79  19189.90   900.910  194.883 7.3707  187.944 4.4257  6.939102       8.597322  
1 1 1 -5  20  24 o 122.540 3.1566  8150.09    418.952  9034.11    822.483  7840.36    486.846  128.659 5.9022  120.135 3.7415  8.523605       6.988257  
1 1 1 -5  20  25 o 65.593  3.2338  2337.64    229.737  2820.80    452.741  2170.08    266.612  71.546  5.8949  63.029  3.9249  8.517185       7.081985  
1 1 1 -5  20  26 o 88.763  3.1998  4285.91    307.625  4592.38    649.799  4197.38    349.241  90.986  6.6396  87.779  3.6734  3.206932       7.588004  
1 1 1 -5  20  27 o 36.923  2.2632  743.155    90.073   709.371    95.499   1015.37    271.082  36.049  2.4606  42.471  6.0653  -6.422058      6.545362  
1 1 1 -5  20  28 o 57.551  2.0195  1798.80    125.885  1821.08    189.579  1781.23    168.360  57.723  3.0430  57.203  2.7174  0.5200005      4.079723  
1 1 1 -5  20  29 o 18.238  7.2197  112.334    211.660  214.784    437.293  80.988     241.882  25.350  10.260  18.468  7.5716  6.882538       12.75149  
1 1 1 -5  20  30 o 26.762  7.4451  423.786    223.676  728.323    467.570  333.411    254.712  34.353  11.060  24.396  8.1794  9.956448       13.75578  
1 1 1 -5  20  31 o 56.680  4.2937  1791.58    261.635  1594.11    534.621  1853.77    300.016  50.294  10.164  57.427  4.8694  -7.132984      11.27022  
1 1 1 -5  20  32 o 15.264  1.4946  127.831    24.392   520.807    462.109  126.733    24.426   29.476  10.912  15.196  1.5038  14.27915       11.01478  
1 1 1 -5  20  33 o 16.654  3.2825  159.000    57.105   781.010    483.197  150.189    57.508   32.817  11.264  16.151  3.3952  16.66572       11.76428  
1 1 1 -5  20  34 o 30.300  9.9894  676.912    380.322  0.0000     0.0000   676.912    380.322  ?       ?       30.300  9.9894  0.000000       9.989398  
1 1 1 -5  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  21  1  f 549.495 12.849  164142.09  7646.97  148781.41  10813.72 179506.91  10815.17 521.948 19.128  573.730 17.404  -51.78107      25.86122  
1 1 1 -5  21  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  21  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  21  4  o 337.052 5.8740  61560.98   2144.37  60042.25   3032.28  63080.34   3032.92  332.759 8.4134  341.084 8.2097  -8.325256      11.75519  
1 1 1 -5  21  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  21  6  o 650.059 10.647  229234.20  7496.33  226437.41  10601.07 232031.20  10601.76 645.523 15.162  653.474 14.979  -7.951599      21.31350  
1 1 1 -5  21  7  o 206.225 3.9468  23036.93   881.575  23075.06   1246.38  22998.76   1247.09  206.372 5.5761  206.031 5.5885  0.3417206      7.894561  
1 1 1 -5  21  8  o 814.777 18.809  361477.41  16598.78 361477.41  16598.78 0.0000     0.0000   814.777 18.809  ?       ?       0.000000       18.80907  
1 1 1 -5  21  9  o 451.208 8.7583  110392.70  4280.21  112880.30  7414.68  109149.40  5241.76  455.708 15.022  448.515 10.790  7.193878       18.49586  
1 1 1 -5  21  10 o 148.055 3.8727  11874.08   621.021  12060.75   1218.74  11808.61   721.753  148.965 7.5786  147.639 4.5135  1.326294       8.820883  
1 1 1 -5  21  11 o 291.317 7.2352  46007.13   2282.89  48438.36   3230.90  43583.13   3226.09  298.774 9.9841  283.374 10.511  15.39960       14.49707  
1 1 1 -5  21  12 o 344.742 8.3941  64470.69   3134.28  60527.11   4430.27  68422.37   4434.82  333.713 12.257  354.884 11.538  -21.17078      16.83312  
1 1 1 -5  21  13 o 430.650 7.2894  100595.10  3400.07  98477.99   6798.04  101301.40  3926.46  425.051 14.766  432.048 8.3907  -6.996613      16.98376  
1 1 1 -5  21  14 o 291.781 6.1436  46169.70   1941.57  45450.18   3330.18  46540.22   2389.75  289.098 10.635  292.847 7.5343  -3.748749      13.03365  
1 1 1 -5  21  15 o 182.078 3.6579  17964.79   721.375  18650.57   1440.04  17735.04   833.496  185.359 7.1728  180.890 4.2542  4.468369       8.339524  
1 1 1 -5  21  16 o 293.906 5.6731  46862.43   1805.93  45237.98   3362.99  47520.70   2140.79  288.104 10.777  295.862 6.6806  -7.758209      12.67987  
1 1 1 -5  21  17 o 350.766 6.5453  66813.09   2486.66  66824.38   6881.49  66811.40   2666.86  347.098 18.370  350.689 7.0212  -3.591187      19.66605  
1 1 1 -5  21  18 o 337.002 5.8605  61659.06   2139.15  61975.77   4276.54  61553.38   2470.41  336.597 11.730  336.570 6.7768  0.2661133E-01  13.54721  
1 1 1 -5  21  19 o 163.186 3.4651  14435.62   612.455  14899.95   1220.12  14279.21   708.131  165.557 6.8043  162.272 4.0290  3.285736       7.907676  
1 1 1 -5  21  20 o 272.752 4.9044  40376.89   1448.85  39800.05   2894.35  40569.76   1673.63  269.886 9.9015  273.304 5.6538  -3.418091      11.40198  
1 1 1 -5  21  21 o 59.920  3.5713  1954.00    230.726  2459.26    435.948  1757.40    271.934  66.983  6.0751  56.731  4.4616  10.25209       7.537446  
1 1 1 -5  21  22 o 119.158 3.1581  7699.11    407.583  7837.10    796.104  7650.09    474.484  119.850 6.1536  118.750 3.6891  1.100533       7.174662  
1 1 1 -5  21  23 o 119.891 3.0977  7796.65    402.249  7329.73    791.682  7959.14    467.025  115.782 6.3371  121.103 3.5605  -5.320930      7.268846  
1 1 1 -5  21  24 o 58.443  3.4389  1861.15    216.725  2280.23    428.460  1717.06    251.235  64.307  6.2296  56.043  4.1688  8.264870       7.495762  
1 1 1 -5  21  25 o 104.558 3.0494  5938.39    345.341  5404.33    671.979  6130.07    402.569  99.068  6.2953  106.181 3.5004  -7.113838      7.203021  
1 1 1 -5  21  26 o 98.567  3.1427  5284.64    335.510  6182.19    704.684  5021.54    381.529  105.775 6.1778  96.006  3.6691  9.769424       7.185225  
1 1 1 -5  21  27 o 50.779  4.3939  1421.60    239.278  1095.05    488.543  1524.66    274.449  42.843  10.589  52.495  4.8830  -9.651493      11.66050  
1 1 1 -5  21  28 o 47.162  2.2952  1209.08    117.244  1206.99    128.894  1219.11    282.209  47.034  2.5396  46.586  5.7127  0.4482422      6.251731  
1 1 1 -5  21  29 o 92.532  2.9934  4672.58    299.998  4979.27    479.267  4475.00    384.682  95.005  4.6576  90.304  3.9330  4.701385       6.096043  
1 1 1 -5  21  30 o 39.142  5.6935  874.735    234.298  1298.57    479.203  741.584    268.591  45.856  9.9355  35.443  7.2412  10.41255       12.29427  
1 1 1 -5  21  31 o 52.723  2.5718  1518.65    146.863  2098.14    525.067  1469.46    152.968  59.074  8.4469  51.762  2.7382  7.311726       8.879590  
1 1 1 -5  21  32 o 41.276  5.7805  988.781    251.338  809.937    496.733  1050.32    291.391  34.716  11.415  42.157  6.5980  -7.440800      13.18460  
1 1 1 -5  21  33 o 36.051  6.6635  795.891    250.603  1639.73    499.363  511.829    289.729  49.325  9.6929  27.919  8.6706  21.40603       13.00503  
1 1 1 -5  21  34 o 20.544  8.8988  132.402    365.113  0.0000     0.0000   132.402    365.113  ?       ?       20.544  8.8988  0.000000       8.898801  
1 1 1 -5  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  22  1  o 271.603 6.8388  39987.75   2011.80  39355.87   2845.03  40619.71   2845.21  269.315 9.7534  273.613 9.6008  -4.298401      13.68589  
1 1 1 -5  22  2  o 521.277 9.8560  147437.59  5564.67  142328.59  6814.35  157664.09  9640.99  511.895 12.291  538.120 16.541  -26.22495      20.60771  
1 1 1 -5  22  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  22  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  22  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  22  6  o 331.272 5.6861  59458.95   2040.18  57418.05   2884.69  61501.45   2885.81  325.454 8.1835  336.839 7.9100  -11.38483      11.38145  
1 1 1 -5  22  7  o 640.092 10.573  222253.50  7330.45  213791.59  10366.36 230716.80  10367.29 627.223 15.259  651.661 14.688  -24.43762      21.18003  
1 1 1 -5  22  8  f 301.463 5.2807  49237.71   1724.24  49396.63   2438.38  49078.77   2438.51  301.884 7.4575  300.910 7.4820  0.9736938      10.56382  
1 1 1 -5  22  9  o 228.673 4.2425  28326.89   1050.78  27484.63   1486.92  29167.12   1485.13  225.212 6.0957  232.007 5.9101  -6.795135      8.490416  
1 1 1 -5  22  10 o 158.921 3.8877  13681.21   669.183  14427.44   1154.23  13303.38   821.301  163.157 6.5316  156.700 4.8391  6.457245       8.128859  
1 1 1 -5  22  11 o 254.755 5.2405  35166.86   1445.99  37092.57   1773.14  31343.55   2498.42  261.606 6.2578  240.349 9.5974  21.25752       11.45734  
1 1 1 -5  22  12 o 465.567 11.086  117745.90  5589.99  117802.40  7906.91  117689.30  7903.97  464.957 15.701  464.734 15.703  0.2235718      22.20558  
1 1 1 -5  22  13 o 181.104 4.2077  17771.90   825.363  17717.31   1425.64  17799.43   1012.26  180.727 7.2831  181.219 5.1572  -0.4925537     8.924184  
1 1 1 -5  22  14 o 315.032 5.5091  53808.89   1879.78  54468.14   3758.18  53588.93   2170.84  316.412 10.966  314.325 6.3764  2.086517       12.68526  
1 1 1 -5  22  15 o 282.626 5.3990  43317.71   1652.71  40609.00   3080.66  44412.35   1958.38  273.132 10.414  286.101 6.3199  -12.96860      12.18128  
1 1 1 -5  22  16 o 319.674 6.0422  55455.13   2092.04  56057.77   3889.89  55209.88   2481.48  320.609 11.202  318.831 7.1859  1.778015       13.30862  
1 1 1 -5  22  17 o 243.406 4.8669  32134.84   1283.08  29098.11   2397.08  33354.28   1519.01  231.108 9.5763  247.914 5.6570  -16.80681      11.12238  
1 1 1 -5  22  18 o 116.218 3.0300  7319.62    381.405  7129.99    744.975  7386.98    444.009  114.429 6.0322  116.738 3.5116  -2.309319      6.979860  
1 1 1 -5  22  19 o 106.037 2.9426  6093.52    337.959  5881.87    682.864  6162.18    388.932  103.879 6.0960  106.621 3.3679  -2.741867      6.964458  
1 1 1 -5  22  20 o 117.900 3.0899  7534.46    394.576  8046.12    780.959  7359.08    457.228  121.693 5.9251  116.500 3.6236  5.192520       6.945267  
1 1 1 -5  22  21 o 134.749 3.2439  9844.63    473.437  10763.05   922.177  9515.93    551.692  140.692 6.0516  132.450 3.8457  8.242630       7.170207  
1 1 1 -5  22  22 o 114.597 3.1116  7121.04    386.215  7614.40    741.943  6937.67    452.329  118.313 5.7899  113.082 3.6931  5.231140       6.867410  
1 1 1 -5  22  23 o 31.313  5.6598  550.164    184.888  651.153    356.224  512.929    216.304  33.907  9.3823  30.068  6.8011  3.839224       11.58806  
1 1 1 -5  22  24 o 123.795 3.1284  8318.92    419.467  8399.19    822.971  8290.75    487.551  123.979 6.1287  123.534 3.6439  0.4454346      7.130104  
1 1 1 -5  22  25 o 76.840  3.0842  3207.74    256.687  3239.52    505.458  3196.69    297.968  76.621  6.1423  76.664  3.5885  -0.4298401E-01 7.113756  
1 1 1 -5  22  26 o 141.744 3.3165  10935.11   509.154  11916.65   1040.00  10625.69   583.916  146.915 6.5358  139.600 3.8618  7.315094       7.591445  
1 1 1 -5  22  27 o 74.436  3.5050  3021.45    282.580  2781.08    577.537  3097.11    324.013  70.102  7.7352  75.181  3.9934  -5.079384      8.705215  
1 1 1 -5  22  28 o 34.737  1.5940  654.648    59.973   339.068    451.629  660.313    60.509   27.742  10.671  34.886  1.6014  -7.144386      10.79091  
1 1 1 -5  22  29 o 97.906  3.0979  5234.94    328.507  5298.77    537.457  5196.87    415.067  97.682  5.0976  97.299  3.9386  0.3830185      6.441918  
1 1 1 -5  22  30 o 57.862  2.1562  1822.42    135.130  2018.63    152.053  1085.21    294.733  60.875  2.3061  43.368  6.4729  17.50739       6.871399  
1 1 1 -5  22  31 o 20.839  7.3015  232.322    203.545  648.909    457.157  129.318    227.320  32.273  10.957  18.800  7.4694  13.47274       13.26095  
1 1 1 -5  22  32 o 58.226  4.4118  1905.79    276.162  2087.27    544.294  1842.88    320.475  57.878  8.9730  56.815  5.2678  1.063683       10.40507  
1 1 1 -5  22  33 o 44.500  5.3732  1161.56    253.740  1076.77    516.782  1188.50    291.267  37.758  11.556  44.466  6.2178  -6.707989      13.12245  
1 1 1 -5  22  34 o 54.640  7.2508  1895.94    418.515  0.0000     0.0000   1895.94    418.515  ?       ?       54.640  7.2508  0.000000       7.250820  
1 1 1 -5  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  23  1  o 509.020 17.062  141067.80  9406.72  141067.80  9406.72  0.0000     0.0000   509.020 17.062  ?       ?       0.000000       17.06212  
1 1 1 -5  23  2  o 348.906 8.4996  66010.61   3212.02  67468.79   4542.31  64552.20   4542.67  352.522 11.897  344.798 12.164  7.723358       17.01440  
1 1 1 -5  23  3  o 193.447 3.6609  20270.38   767.054  20530.56   1084.46  20009.89   1085.09  194.663 5.1435  192.178 5.2131  2.485397       7.323371  
1 1 1 -5  23  4  o 186.609 3.5146  18862.15   710.360  18755.78   1004.12  18968.73   1005.09  186.064 4.9825  187.118 4.9593  -1.053604      7.029927  
1 1 1 -5  23  5  o 305.784 5.3080  50658.09   1758.00  49476.90   2485.81  51839.97   2486.55  302.132 7.5963  309.269 7.4232  -7.136841      10.62109  
1 1 1 -5  23  6  o 212.193 4.1777  24390.03   960.150  24773.51   1277.48  23892.16   1455.60  213.834 5.5158  209.980 6.4002  3.854309       8.449069  
1 1 1 -5  23  7  o 164.608 3.5363  14676.57   630.486  14996.76   892.581  14357.73   890.706  166.379 4.9531  162.794 5.0516  3.584610       7.074723  
1 1 1 -5  23  8  o 403.632 6.8316  88294.34   2986.60  84786.05   4223.33  91803.85   4224.06  395.372 9.8623  411.434 9.4790  -16.06161      13.67903  
1 1 1 -5  23  9  o 180.540 3.5796  17655.56   699.965  17451.15   991.366  17858.77   988.440  179.472 5.1000  181.557 5.0265  -2.085083      7.160707  
1 1 1 -5  23  10 o 697.995 13.190  264701.19  9971.64  247143.91  17269.69 273482.41  12213.33 672.015 23.727  708.956 15.905  -36.94025      28.56453  
1 1 1 -5  23  11 o 237.183 5.0319  30482.03   1292.67  30966.27   1585.24  29521.02   2233.21  239.028 6.1232  233.282 8.8385  5.746277       10.75230  
1 1 1 -5  23  12 o 306.727 6.2246  51002.13   2067.92  51345.22   2533.17  50316.77   3580.34  307.680 7.6014  304.341 10.862  3.338409       13.25730  
1 1 1 -5  23  13 o 252.482 4.8334  34548.43   1321.77  35526.52   2018.82  33814.57   1748.69  255.908 7.2835  249.712 6.4655  6.196732       9.739242  
1 1 1 -5  23  14 o 348.485 6.0202  65862.12   2272.31  66991.39   4543.39  65485.42   2624.07  350.713 11.961  347.401 6.9739  3.312317       13.84537  
1 1 1 -5  23  15 o 303.870 5.7361  50086.11   1887.87  49687.86   3513.61  50247.74   2238.43  302.049 10.740  304.261 6.7925  -2.212158      12.70772  
1 1 1 -5  23  16 o 109.748 2.9425  6525.99    349.766  5890.08    684.664  6750.55    406.863  104.000 6.1049  111.612 3.3657  -7.611130      6.971207  
1 1 1 -5  23  17 o 61.900  3.1234  2081.68    208.729  2009.00    406.478  2107.71    243.249  60.503  6.2950  62.253  3.6233  -1.750359      7.263312  
1 1 1 -5  23  18 o 98.640  2.8432  5272.38    303.763  4634.89    622.473  5471.65    348.015  92.164  6.2731  100.478 3.1978  -8.314392      7.041157  
1 1 1 -5  23  19 o 177.701 3.8236  17122.01   735.930  17334.09   1758.15  17076.96   810.335  178.052 9.1476  177.444 4.2163  0.6085052      10.07256  
1 1 1 -5  23  20 o 274.962 4.9221  41037.69   1465.86  38132.84   2927.70  42009.53   1693.41  264.047 10.237  278.102 5.6220  -14.05450      11.67920  
1 1 1 -5  23  21 o 348.243 6.0477  65946.38   2281.07  66477.38   4557.51  65768.89   2634.85  347.503 12.109  347.532 6.9999  -0.2908325E-01 13.98644  
1 1 1 -5  23  22 o 262.719 4.7682  37494.54   1356.81  34181.48   2704.45  38608.91   1568.48  249.533 10.006  266.471 5.4345  -16.93823      11.38697  
1 1 1 -5  23  23 o 204.590 3.9939  22731.93   885.013  22442.23   1746.57  22832.01   1026.56  202.433 7.9659  204.941 4.6247  -2.508255      9.211076  
1 1 1 -5  23  24 o 126.872 3.1845  8739.06    437.595  8946.05    867.096  8668.33    506.878  127.905 6.2591  126.301 3.7053  1.604012       7.273613  
1 1 1 -5  23  25 o 83.075  2.6889  3746.94    241.945  3630.54    378.708  3827.21    314.495  81.503  4.3053  83.891  3.4612  -2.388069      5.524085  
1 1 1 -5  23  26 o 50.335  4.0707  1391.49    220.029  1607.47    490.860  1337.18    246.143  52.876  8.8861  49.226  4.6726  3.649662       10.03974  
1 1 1 -5  23  27 o 57.278  2.3716  1782.48    147.128  1584.00    504.302  1800.95    153.820  52.132  9.2710  57.566  2.4670  -5.434074      9.593645  
1 1 1 -5  23  28 o 48.475  3.0073  1285.75    157.113  2173.64    512.701  1193.73    165.054  61.550  7.8710  46.653  3.2875  14.89660       8.529934  
1 1 1 -5  23  29 o 42.487  1.9795  980.999    91.090   999.624    96.931   840.273    266.437  42.880  2.0871  38.137  6.6945  4.742840       7.012273  
1 1 1 -5  23  30 o 43.430  1.2972  1023.39    61.021   796.096    106.668  1133.95    74.396   38.111  2.5996  45.702  1.5030  -7.590576      3.002840  
1 1 1 -5  23  31 o 46.300  4.9778  1212.15    245.708  1659.00    499.672  1069.63    282.181  51.903  9.2265  42.946  6.2498  8.956684       11.14401  
1 1 1 -5  23  32 o 82.340  3.5716  3751.98    318.522  4302.52    643.480  3573.30    366.583  85.383  7.0203  79.898  4.2514  5.484787       8.207261  
1 1 1 -5  23  33 o ?       ?       -189.8881  29.154   361.319    472.752  -191.9924  29.210   25.613  10.553  ?       ?       0.000000       10.55289  
1 1 1 -5  23  34 o 3.5636  1.7975  -104.9112  32.542   0.0000     0.0000   -104.9112  32.542   ?       ?       3.5636  1.7975  0.000000       1.797494  
1 1 1 -5  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  3  o 570.993 19.031  177556.91  11769.69 177556.91  11769.69 0.0000     0.0000   570.993 19.031  ?       ?       0.000000       19.03111  
1 1 1 -5  24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  5  o 659.277 15.225  236178.80  10871.56 268592.50  15375.51 203771.80  15373.90 702.162 20.217  611.014 23.231  91.14819       30.79616  
1 1 1 -5  24  6  o 601.263 14.059  196351.59  9155.57  190923.80  12947.33 201780.50  12948.53 591.981 20.193  608.677 19.641  -16.69666      28.16965  
1 1 1 -5  24  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  8  o 313.435 5.4181  53228.24   1839.37  52454.38   2600.99  54002.43   2601.53  311.072 7.7198  315.633 7.6098  -4.561188      10.83997  
1 1 1 -5  24  9  f 365.859 6.2598  72537.91   2480.54  71518.91   3508.29  73556.59   3507.74  363.153 8.9194  368.297 8.7934  -5.144226      12.52520  
1 1 1 -5  24  10 o 402.846 7.9206  87991.77   3455.93  89489.09   5984.05  87242.43   4233.27  405.780 13.616  401.002 9.7467  4.778168       16.74458  
1 1 1 -5  24  11 o 442.544 9.8092  106290.30  4701.76  105249.30  6131.44  107776.30  7325.30  440.029 12.865  444.953 15.200  -4.924042      19.91346  
1 1 1 -5  24  12 o 205.588 5.0718  22905.72   1129.36  23474.23   1452.15  22035.52   1796.59  208.078 6.4434  201.527 8.2309  6.550400       10.45296  
1 1 1 -5  24  13 o 500.525 8.3773  135992.50  4541.51  133282.09  6422.77  138702.70  6422.57  494.903 11.982  504.914 11.744  -10.01135      16.77782  
1 1 1 -5  24  14 o 191.336 3.7649  19837.65   780.220  18933.95   1556.94  20140.70   901.597  186.752 7.6973  192.774 4.3181  -6.021866      8.825748  
1 1 1 -5  24  15 o 137.284 3.1542  10211.68   469.000  10801.10   934.307  10013.13   542.270  141.092 6.1139  135.930 3.6832  5.162064       7.137629  
1 1 1 -5  24  16 o 404.930 6.8554  89041.03   3006.64  83593.15   6010.18  90859.49   3472.36  390.589 14.207  408.871 7.8409  -18.28232      16.22698  
1 1 1 -5  24  17 o 409.595 6.9684  91155.20   3091.44  88618.97   6181.05  92001.27   3570.04  401.777 14.204  411.273 8.0144  -9.496582      16.30893  
1 1 1 -5  24  18 o 337.043 6.3152  61706.41   2305.37  63544.96   4283.49  60956.70   2735.31  340.799 11.605  334.772 7.5438  6.027557       13.84103  
1 1 1 -5  24  19 o 161.474 3.4326  14134.56   600.343  13427.26   1195.24  14373.21   694.275  157.132 7.0230  162.806 3.9372  -5.674438      8.051327  
1 1 1 -5  24  20 o 294.174 6.0509  47030.29   1927.95  47447.44   4793.26  46949.78   2105.81  292.396 15.188  293.821 6.6171  -1.425049      16.56645  
1 1 1 -5  24  21 o 167.510 3.5413  15217.50   642.505  16429.38   1279.06  14808.51   743.056  173.720 6.7979  165.200 4.1528  8.520187       7.965985  
1 1 1 -5  24  22 o 133.537 3.2292  9671.14    467.046  9926.92    911.008  9579.94    543.972  135.023 6.2294  132.870 3.7799  2.153275       7.286467  
1 1 1 -5  24  23 o 182.630 3.7298  18108.92   737.774  17424.84   1468.05  18340.06   853.366  178.431 7.5963  183.716 4.2886  -5.284714      8.723284  
1 1 1 -5  24  24 o 192.506 3.8244  20144.83   797.395  18004.53   1586.90  20867.78   922.286  180.810 8.1032  195.822 4.3484  -15.01167      9.196240  
1 1 1 -5  24  25 o 167.858 3.5239  15327.14   640.663  13137.39   1267.34  16078.83   742.526  154.161 7.5901  171.817 3.9900  -17.65565      8.574950  
1 1 1 -5  24  26 o 94.607  2.9164  4866.82    298.840  5218.45    498.975  4670.15    373.168  97.647  4.7179  92.558  3.7224  5.088463       6.009558  
1 1 1 -5  24  27 o 55.098  4.2263  1670.78    250.286  1640.23    504.544  1680.75    288.253  53.109  9.0985  55.117  4.8790  -2.007454      10.32410  
1 1 1 -5  24  28 o 38.738  5.5724  846.960    227.074  1421.83    469.094  671.031    259.504  49.079  9.1616  33.946  7.2768  15.13290       11.69984  
1 1 1 -5  24  29 f 76.768  3.5257  3227.69    293.152  3415.41    592.400  3166.80    337.354  77.351  7.1520  75.778  4.1259  1.573051       8.256718  
1 1 1 -5  24  30 o 38.910  1.9320  823.342    81.419   831.400    85.553   745.957    265.129  39.039  2.0303  35.557  7.1325  3.481918       7.415823  
1 1 1 -5  24  31 o 38.487  5.8601  855.845    236.566  1162.03    482.496  758.949    271.430  42.463  10.540  35.623  7.2807  6.840370       12.81026  
1 1 1 -5  24  32 o 42.207  5.5402  1030.92    247.146  686.750    503.532  1140.15    283.665  32.247  11.466  44.133  6.0972  -11.88528      12.98676  
1 1 1 -5  24  33 o 7.6366  2.8986  23.300     33.045   -44.5262   463.841  23.646     33.129   20.653  9.4084  7.6638  2.9039  12.98932       9.846306  
1 1 1 -5  24  34 o 21.057  8.9879  176.825    362.209  0.0000     0.0000   176.825    362.209  ?       ?       21.057  8.9879  0.000000       8.987929  
1 1 1 -5  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  25  2  o 349.065 5.7476  66019.31   2173.02  66032.66   3073.00  66005.95   3073.24  349.013 8.1293  348.942 8.1315  0.7064819E-01  11.49814  
1 1 1 -5  25  3  o 727.331 16.863  287688.69  13284.01 269485.59  18785.54 305895.19  18787.31 702.267 24.697  748.606 23.171  -46.33850      33.86515  
1 1 1 -5  25  4  o 523.106 9.4608  148382.70  5360.28  149622.50  8318.47  147502.30  7009.63  524.812 14.634  521.307 12.415  3.505066       19.19066  
1 1 1 -5  25  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  25  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  25  7  o 485.709 8.1236  127890.80  4273.59  127242.50  6043.35  128539.30  6044.20  484.224 11.523  486.690 11.466  -2.466156      16.25573  
1 1 1 -5  25  8  o 425.110 7.1458  97951.04   3290.21  97756.13   4652.80  98145.99   4653.33  424.508 10.119  425.355 10.101  -0.8469849     14.29770  
1 1 1 -5  25  9  o 375.852 9.0981  76615.41   3703.72  0.0000     0.0000   76615.41   3703.72  ?       ?       375.852 9.0981  0.000000       9.098118  
1 1 1 -5  25  10 o 128.907 4.4239  9002.54    617.663  8920.12    921.961  9069.66    831.969  128.111 6.6675  129.367 5.9376  -1.256012      8.928077  
1 1 1 -5  25  11 o 200.406 5.5032  21765.63   1194.52  20634.78   1689.87  22894.98   1688.75  195.052 7.9989  205.473 7.5882  -10.42044      11.02563  
1 1 1 -5  25  12 f 60.542  3.4856  1992.29    227.596  2185.73    282.312  1633.13    384.669  63.379  4.1352  54.476  6.6581  8.903641       7.837712  
1 1 1 -5  25  13 o 381.205 7.0463  78834.23   2909.32  78875.88   3816.59  78776.48   4494.92  381.066 9.2471  380.604 10.904  0.4626160      14.29691  
1 1 1 -5  25  14 o 134.194 3.1031  9756.33    451.028  9129.78    896.453  9968.69    521.894  129.726 6.3801  135.638 3.5525  -5.911636      7.302493  
1 1 1 -5  25  15 o 75.660  2.8750  3101.44    235.602  3018.93    462.669  3130.32    273.754  74.374  5.7891  76.006  3.3254  -1.631958      6.676227  
1 1 1 -5  25  16 o 378.985 6.4742  77977.30   2657.51  76782.73   5313.30  78375.83   3068.97  374.631 13.095  379.797 7.4605  -5.166046      15.07071  
1 1 1 -5  25  17 o 288.053 5.4390  45026.82   1696.93  42593.42   4574.62  45415.07   1827.30  277.823 15.261  289.248 5.8327  -11.42517      16.33768  
1 1 1 -5  25  18 o 138.545 3.2236  10403.25   483.733  9499.48    1043.80  10650.44   545.892  131.967 7.3316  140.167 3.5958  -8.199951      8.165873  
1 1 1 -5  25  19 f 90.887  2.9814  4476.85    293.488  4139.23    577.499  4594.41    340.775  87.067  6.1637  92.061  3.4176  -4.993896      7.047791  
1 1 1 -5  25  20 o 249.485 4.9154  33787.66   1328.22  34787.86   2484.55  33387.44   1571.66  252.428 9.0874  247.880 5.8539  4.548553       10.80968  
1 1 1 -5  25  21 o 76.607  3.1569  3181.85    261.943  2809.22    510.106  3315.30    305.264  71.535  6.6602  78.184  3.6049  -6.648338      7.573241  
1 1 1 -5  25  22 o 265.929 5.6358  38472.32   1623.29  41973.39   2797.63  36695.34   1993.11  276.671 9.3359  259.370 7.0948  17.30093       11.72584  
1 1 1 -5  25  23 o 33.726  5.4465  634.989    192.178  585.390    353.924  655.727    228.855  32.315  9.4887  34.115  6.4294  -1.799774      11.46177  
1 1 1 -5  25  24 o 121.317 3.1215  7991.20    410.157  7535.23    828.485  8139.24    472.066  117.108 6.5581  122.387 3.5612  -5.278648      7.462596  
1 1 1 -5  25  25 o 34.911  4.8462  678.151    178.303  1043.75    343.580  543.399    208.589  42.822  7.6904  30.883  6.4443  11.93952       10.03352  
1 1 1 -5  25  26 o 84.516  2.8536  3883.67    261.222  4608.83    617.752  3725.77    288.262  91.169  6.2946  82.736  3.2168  8.433441       7.068892  
1 1 1 -5  25  27 o 123.861 3.2356  8360.75    434.065  8372.57    856.923  8356.67    503.429  122.640 6.4741  123.696 3.7576  -1.055672      7.485600  
1 1 1 -5  25  28 o 114.233 3.3308  7125.36    412.109  7272.41    817.842  7075.32    477.109  113.837 6.6622  113.666 3.8754  0.1702499      7.707329  
1 1 1 -5  25  29 o 86.665  2.9785  4100.96    279.579  3931.33    643.694  4140.40    310.384  82.941  7.2379  87.001  3.2938  -4.060539      7.952176  
1 1 1 -5  25  30 o 81.657  2.9036  3645.85    256.800  3799.93    373.951  3508.34    353.270  82.842  4.1812  79.621  4.1105  3.220314       5.863307  
1 1 1 -5  25  31 o 45.815  2.2017  1144.31    109.252  1152.08    118.703  1101.23    279.398  45.882  2.3970  43.650  6.0745  2.232056       6.530283  
1 1 1 -5  25  32 o 56.600  2.7212  1758.14    166.821  2086.83    543.583  1723.97    175.279  57.596  9.0089  55.924  2.9037  1.672043       9.465270  
1 1 1 -5  25  33 o 63.357  4.7824  2318.11    325.763  0.0000     0.0000   2318.11    325.763  ?       ?       63.357  4.7824  0.000000       4.782400  
1 1 1 -5  25  34 o 26.047  10.104  471.273    407.583  0.0000     0.0000   471.273    407.583  ?       ?       26.047  10.104  0.000000       10.10449  
1 1 1 -5  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  26  1  o 126.339 3.1234  8645.20    427.393  8058.06    604.737  9231.14    604.114  121.963 4.5779  130.542 4.2727  -8.578644      6.262031  
1 1 1 -5  26  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  26  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  26  4  o 310.433 5.2726  52209.67   1772.80  52381.75   2506.85  52037.51   2507.40  310.883 7.4449  309.859 7.4712  1.024109       10.54731  
1 1 1 -5  26  5  o 776.575 25.713  329761.81  21627.30 0.0000     0.0000   329761.81  21627.30 ?       ?       776.575 25.713  0.000000       25.71277  
1 1 1 -5  26  6  o 740.445 24.533  299628.31  19675.14 299628.31  19675.14 0.0000     0.0000   740.445 24.533  ?       ?       0.000000       24.53325  
1 1 1 -5  26  7  o 619.291 10.185  208040.09  6831.91  205293.50  9661.37  210787.09  9662.20  614.668 14.512  622.865 14.322  -8.196899      20.38936  
1 1 1 -5  26  8  o 413.112 6.9092  92496.80   3091.47  93278.15   4372.43  91715.77   4371.57  414.688 9.7349  411.195 9.8157  3.493103       13.82443  
1 1 1 -5  26  9  o 98.084  3.1040  5210.94    329.758  4903.21    562.087  5372.44    407.195  94.968  5.4880  99.588  3.7751  -4.620728      6.661002  
1 1 1 -5  26  10 o 508.835 11.994  140635.09  6610.41  135828.70  9347.53  145443.70  9349.54  499.262 17.286  516.736 16.705  -17.47421      24.03901  
1 1 1 -5  26  11 o 332.433 6.6556  59914.51   2396.43  62079.35   4154.78  58835.25   2933.58  338.028 11.348  329.329 8.2243  8.698853       14.01495  
1 1 1 -5  26  12 o 200.694 4.4915  21826.07   976.323  20910.21   1196.19  23653.71   1689.78  196.404 5.6232  208.815 7.4713  -12.41100      9.350976  
1 1 1 -5  26  13 o 89.205  2.8957  4310.73    279.780  4291.50    402.924  4328.62    388.792  88.991  4.1803  89.377  4.0163  -0.3862915     5.797013  
1 1 1 -5  26  14 o 80.498  2.8977  3510.59    252.644  3884.98    363.476  3160.65    351.413  84.668  3.9636  76.245  4.2726  8.423561       5.827943  
1 1 1 -5  26  15 o 335.360 5.8216  61016.67   2114.60  60773.59   4227.45  61097.78   2442.06  333.778 11.694  335.482 6.7207  -1.704285      13.48740  
1 1 1 -5  26  16 o 252.672 4.9439  34626.24   1353.00  35001.23   3573.92  34563.51   1461.81  252.570 13.110  252.411 5.3470  0.1593475      14.15808  
1 1 1 -5  26  17 o 444.878 8.0486  107668.30  3878.23  103233.90  10951.59 108304.10  4146.96  427.667 23.736  446.051 8.5837  -18.38358      25.24054  
1 1 1 -5  26  18 o 144.581 3.2590  11329.78   510.340  9666.67    1006.89  11904.72   592.017  133.165 7.0057  148.186 3.6886  -15.02118      7.917406  
1 1 1 -5  26  19 o 415.062 7.5644  93762.63   3400.63  89087.16   9550.12  94441.53   3639.16  396.508 22.328  416.420 8.0686  -19.91153      23.74153  
1 1 1 -5  26  20 o 303.123 6.2308  49953.93   2045.65  53239.68   5109.53  49326.74   2232.37  309.955 15.220  301.093 6.8453  8.862030       16.68846  
1 1 1 -5  26  21 o 127.470 3.1780  8809.90    438.770  9368.20    869.575  8619.20    508.209  131.237 6.1176  126.055 3.7223  5.181694       7.161046  
1 1 1 -5  26  22 o 152.494 3.4584  12615.73   571.211  13014.56   1097.48  12467.54   668.963  154.532 6.5570  151.544 4.0756  2.988113       7.720465  
1 1 1 -5  26  23 o 107.523 2.9433  6271.79    342.769  5421.22    628.233  6632.33    409.012  99.547  5.8525  110.538 3.4163  -10.99138      6.776608  
1 1 1 -5  26  24 o 54.366  2.3089  1603.00    135.960  1775.89    402.416  1580.72    144.454  56.533  6.7026  53.981  2.4707  2.552441       7.143449  
1 1 1 -5  26  25 o 126.195 3.2046  8658.39    438.016  9182.87    899.720  8495.47    501.453  129.193 6.4298  124.919 3.7062  4.273972       7.421508  
1 1 1 -5  26  26 o 39.742  2.0412  859.356    87.567   1002.29    460.012  853.982    89.198   41.159  10.334  39.613  2.0863  1.546806       10.54240  
1 1 1 -5  26  27 o 34.672  1.7216  652.200    64.650   659.488    67.095   557.613    241.698  34.817  1.7852  30.985  7.3186  3.831739       7.533198  
1 1 1 -5  26  28 o 86.917  3.3287  4125.61    313.363  5004.04    637.777  3846.06    359.787  94.538  6.2641  83.774  3.9652  10.76416       7.413619  
1 1 1 -5  26  29 o 48.500  1.9618  1278.47    103.053  649.588    485.143  1308.19    105.460  33.168  11.288  49.058  1.9848  -15.88973      11.46069  
1 1 1 -5  26  30 o 21.592  7.5822  246.914    219.558  340.687    451.160  217.814    251.327  27.086  10.596  21.441  8.0252  5.644968       13.29243  
1 1 1 -5  26  31 o 48.088  1.7887  1257.86    93.162   1389.74    136.463  1142.74    127.494  50.440  2.4979  45.653  2.5891  4.787216       3.597593  
1 1 1 -5  26  32 o 20.404  7.6176  212.240    226.163  347.519    463.614  169.994    259.081  26.302  10.593  20.096  7.9772  6.206638       13.26064  
1 1 1 -5  26  33 f 18.373  7.7413  102.629    262.885  0.0000     0.0000   102.629    262.885  ?       ?       18.373  7.7413  0.000000       7.741314  
1 1 1 -5  26  34 o 24.311  9.8948  366.717    409.322  0.0000     0.0000   366.717    409.322  ?       ?       24.311  9.8948  0.000000       9.894801  
1 1 1 -5  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  27  1  o 735.583 24.363  295523.50  19410.24 295523.50  19410.24 0.0000     0.0000   735.583 24.363  ?       ?       0.000000       24.36292  
1 1 1 -5  27  2  o 673.393 22.334  247326.50  16289.23 247326.50  16289.23 0.0000     0.0000   673.393 22.334  ?       ?       0.000000       22.33376  
1 1 1 -5  27  3  o 497.276 11.728  134181.41  6316.83  128452.10  8932.58  139912.59  8934.11  486.021 16.969  507.325 16.259  -21.30389      23.50101  
1 1 1 -5  27  4  o 542.477 9.8102  159591.80  5764.05  157913.09  7535.51  161959.20  8948.63  539.342 12.900  545.960 15.133  -6.617981      19.88490  
1 1 1 -5  27  5  o 136.627 3.0226  10110.51   447.295  10275.69   630.848  9943.52    634.309  137.730 4.2289  135.484 4.3226  2.245239       6.047156  
1 1 1 -5  27  6  o 316.940 5.5437  54425.43   1903.02  54985.45   2690.90  53865.09   2691.66  318.492 7.8006  315.228 7.8836  3.264618       11.09058  
1 1 1 -5  27  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  27  8  o 507.475 8.3620  139636.20  4596.15  141500.41  6499.90  137771.91  6499.96  510.548 11.754  503.761 11.913  6.787720       16.73565  
1 1 1 -5  27  9  o 367.746 7.3270  73312.88   2918.39  76946.01   5052.94  71494.31   3574.94  376.390 12.395  363.056 9.0913  13.33392       15.37138  
1 1 1 -5  27  10 o 57.994  2.3982  1821.62    150.637  1914.67    248.991  1767.90    189.186  59.322  3.8969  57.047  3.0732  2.275379       4.962889  
1 1 1 -5  27  11 o 78.997  3.3758  3380.55    288.838  3009.17    496.718  3570.28    355.033  74.243  6.2348  81.178  4.0380  -6.935005      7.428216  
1 1 1 -5  27  12 o 407.024 8.8941  89943.63   3920.98  89588.13   5108.01  90453.57   6117.80  405.859 11.620  407.446 13.863  -1.587128      18.08882  
1 1 1 -5  27  13 o 556.964 10.924  168770.41  6590.13  162996.50  9320.43  174543.00  9319.28  545.997 15.761  565.186 15.224  -19.18848      21.91259  
1 1 1 -5  27  14 o 249.898 5.2765  33863.58   1428.16  33893.11   2021.68  33834.16   2017.78  249.842 7.4709  249.626 7.4630  0.2166595      10.55990  
1 1 1 -5  27  15 o 138.774 3.2854  10435.44   493.817  10063.88   956.008  10570.65   576.712  136.165 6.4823  139.656 3.8127  -3.490860      7.520396  
1 1 1 -5  27  16 o 170.098 3.6304  15681.97   668.852  14654.76   1584.36  15904.74   737.822  163.845 8.9619  171.288 3.9770  -7.442627      9.804688  
1 1 1 -5  27  17 o 188.218 3.7439  19204.36   763.242  18641.02   1522.45  19393.47   882.096  185.149 7.5919  189.112 4.3065  -3.963516      8.728327  
1 1 1 -5  27  18 o 475.745 8.0254  123198.00  4135.36  126273.40  8269.52  122172.40  4775.33  478.059 15.971  473.342 9.3145  4.716339       18.48859  
1 1 1 -5  27  19 o 176.782 3.6264  16944.18   694.352  17715.34   1383.81  16684.68   802.718  180.467 7.0796  175.387 4.2257  5.079895       8.244800  
1 1 1 -5  27  20 o 123.924 3.1442  8325.09    422.022  8293.62    826.643  8336.18    490.802  123.354 6.2071  123.984 3.6549  -0.6300583     7.203157  
1 1 1 -5  27  21 o 142.144 3.2725  10956.16   503.827  10544.19   999.855  11096.36   583.294  139.168 6.6333  143.021 3.7655  -3.853104      7.627512  
1 1 1 -5  27  22 o 52.398  1.7642  1487.56    100.123  1511.11    148.864  1468.11    135.297  52.796  2.6033  52.044  2.4002  0.7527313      3.540904  
1 1 1 -5  27  23 o 93.285  3.0910  4722.00    312.313  4146.86    599.412  4936.31    365.904  86.906  6.4133  95.349  3.5431  -8.443047      7.326945  
1 1 1 -5  27  24 o 131.216 3.2054  9351.89    455.550  8538.33    879.457  9650.23    532.565  124.635 6.5377  133.229 3.6907  -8.594353      7.507478  
1 1 1 -5  27  25 o 38.338  4.7589  815.142    193.357  862.621    454.280  804.637    213.679  38.436  10.579  37.971  5.3436  0.4654236      11.85173  
1 1 1 -5  27  26 o 34.091  1.4350  630.035    52.986   435.231    434.669  632.973    53.384   29.503  10.636  34.170  1.4425  -4.666821      10.73337  
1 1 1 -5  27  27 o 115.033 3.2862  7215.05    409.443  7373.08    816.409  7161.95    473.263  114.945 6.5851  114.474 3.8170  0.4713211      7.611360  
1 1 1 -5  27  28 o 56.934  1.9691  1760.71    121.429  1650.32    183.265  1847.10    162.124  54.915  3.0938  58.253  2.5696  -3.338181      4.021720  
1 1 1 -5  27  29 o 113.845 3.2859  7091.72    405.171  6230.55    814.387  7375.00    467.080  104.448 7.2435  115.929 3.7199  -11.48102      8.142860  
1 1 1 -5  27  30 o 53.256  4.5392  1584.13    259.329  2084.55    514.497  1413.69    300.262  59.269  8.2373  49.868  5.6594  9.401115       9.994098  
1 1 1 -5  27  31 o 70.464  2.7404  2717.37    209.143  2898.41    272.388  2457.36    326.443  72.546  3.4666  66.246  4.5777  6.299309       5.742202  
1 1 1 -5  27  32 o 21.007  7.6617  238.062    226.503  392.775    464.758  189.869    259.393  26.887  10.681  20.465  8.0269  6.421473       13.36074  
1 1 1 -5  27  33 o 18.829  7.9322  113.975    275.942  0.0000     0.0000   113.975    275.942  ?       ?       18.829  7.9322  0.000000       7.932180  
1 1 1 -5  27  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  28  2  o 717.260 23.764  280867.41  18461.51 0.0000     0.0000   280867.41  18461.51 ?       ?       717.260 23.764  0.000000       23.76403  
1 1 1 -5  28  3  o 157.413 3.2299  13421.01   550.673  13198.87   778.340  13643.64   779.199  156.092 4.6038  158.701 4.5331  -2.608932      6.460985  
1 1 1 -5  28  4  o 430.645 7.1832  100510.40  3350.51  98822.18   4737.98  102199.10  4738.68  426.845 10.248  434.088 10.079  -7.242828      14.37397  
1 1 1 -5  28  5  o 411.767 8.1042  91913.17   3614.36  91941.40   5111.03  91884.94   5111.92  411.625 11.464  411.498 11.470  0.1267700      16.21648  
1 1 1 -5  28  6  o 566.997 9.2173  174335.30  5660.52  169850.09  8004.67  178821.59  8005.68  559.260 13.215  573.880 12.880  -14.61975      18.45313  
1 1 1 -5  28  7  o 526.175 8.6829  150122.70  4948.43  155110.00  6998.49  145136.41  6997.78  534.529 12.088  517.015 12.496  17.51392       17.38640  
1 1 1 -5  28  8  o 224.127 4.8928  27215.48   1187.73  29165.17   2053.51  26235.34   1455.99  231.927 8.1747  220.028 6.1096  11.89935       10.20554  
1 1 1 -5  28  9  o 870.113 20.293  413360.59  19124.36 414877.09  27045.36 411844.00  27046.50 868.162 28.762  864.930 28.871  3.232361       40.75281  
1 1 1 -5  28  10 o 274.917 6.2143  40966.99   1850.39  40378.63   2396.22  41836.11   2912.34  272.850 8.1084  277.640 9.6848  -4.790222      12.63092  
1 1 1 -5  28  11 o 239.617 5.1053  31116.45   1324.98  31755.90   2300.41  30799.01   1620.83  241.894 8.7803  238.347 6.2785  3.547150       10.79415  
1 1 1 -5  28  12 o 370.698 7.2869  74550.23   2925.73  71443.53   3583.19  80764.44   5067.73  362.710 9.1209  385.234 12.146  -22.52362      15.18905  
1 1 1 -5  28  13 o 87.869  2.6719  4182.53    254.292  4148.28    340.435  4225.76    382.470  87.498  3.5922  88.306  3.9989  -0.8078690     5.375403  
1 1 1 -5  28  14 o 104.065 2.8280  5867.10    318.758  6017.88    444.488  5707.44    457.372  105.376 3.8945  102.617 4.1151  2.758385       5.665761  
1 1 1 -5  28  15 o 54.920  3.0973  1639.52    183.488  1779.38    359.907  1590.41    213.288  56.959  5.9203  54.047  3.6652  2.912090       6.963055  
1 1 1 -5  28  16 o 258.550 4.6931  36253.55   1314.25  36928.26   2626.20  36028.13   1518.01  260.399 9.3115  257.682 5.4390  2.717468       10.78360  
1 1 1 -5  28  17 o 66.112  3.0412  2368.60    217.767  2007.38    423.035  2498.83    254.007  60.435  6.5686  67.809  3.4701  -7.374763      7.428828  
1 1 1 -5  28  18 o 93.237  2.9503  4711.10    297.941  4086.83    583.969  4930.79    346.421  86.508  6.2752  95.376  3.3535  -8.868599      7.115055  
1 1 1 -5  28  19 o 178.661 3.9192  17310.03   758.388  15845.83   1724.19  17661.26   844.464  170.129 9.3934  180.438 4.3210  -10.30833      10.33957  
1 1 1 -5  28  20 o 50.174  3.8101  1373.27    205.508  1524.20    395.961  1317.62    240.426  52.433  7.1594  49.060  4.5775  3.373497       8.497680  
1 1 1 -5  28  21 o 69.778  3.3147  2640.39    250.515  2737.70    474.889  2602.87    294.882  70.654  6.2708  69.148  3.9537  1.505684       7.413179  
1 1 1 -5  28  22 o 135.881 3.2694  10016.08   481.162  9767.04    935.050  10105.78   561.162  133.854 6.4496  136.448 3.7971  -2.594574      7.484361  
1 1 1 -5  28  23 o 71.291  3.1820  2758.41    245.701  2918.03    475.412  2700.23    287.003  72.866  6.0794  70.403  3.7776  2.462990       7.157443  
1 1 1 -5  28  24 o 120.753 3.1235  7919.79    408.523  8054.65    816.817  7874.80    471.767  121.090 6.2493  120.350 3.6192  0.7401886      7.221652  
1 1 1 -5  28  25 o 30.171  5.8620  516.483    184.657  624.419    443.075  493.795    203.140  33.429  10.767  29.376  6.5514  4.053019       12.60316  
1 1 1 -5  28  26 o 109.162 3.1056  6485.69    367.182  7120.05    672.124  6215.83    438.380  113.786 5.4537  106.736 3.7920  7.049469       6.642459  
1 1 1 -5  28  27 o 34.384  2.4708  646.069    91.403   1325.46    467.049  619.012    93.206   47.402  9.4287  33.639  2.5778  13.76341       9.774762  
1 1 1 -5  28  28 o 77.245  2.7800  3251.03    232.584  3404.59    332.106  3103.23    325.830  78.820  3.8902  75.118  4.0194  3.701904       5.593644  
1 1 1 -5  28  29 o 70.723  3.6501  2751.28    278.647  3315.87    570.206  2574.16    319.379  76.164  6.9902  68.182  4.3475  7.981995       8.231835  
1 1 1 -5  28  30 o 15.638  6.7981  -14.2972   214.612  -189.9156  443.370  39.441     245.259  20.098  9.1720  17.600  7.4497  2.497505       11.81627  
1 1 1 -5  28  31 o 17.913  1.5323  175.616    29.443   180.714    29.635   -213.7860  259.015  18.174  1.5194  14.362  6.7127  3.812068       6.882534  
1 1 1 -5  28  32 o 42.097  5.7133  1037.59    253.765  812.389    501.582  1115.06    294.195  33.939  11.478  43.219  6.4849  -9.280273      13.18285  
1 1 1 -5  28  33 o 39.956  7.3624  1015.40    306.880  0.0000     0.0000   1015.40    306.880  ?       ?       39.956  7.3624  0.000000       7.362388  
1 1 1 -5  28  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  1  o 318.634 6.4089  55015.17   2211.80  54830.51   3828.90  55107.64   2709.61  317.910 11.120  318.855 7.8459  -0.9451294     13.60920  
1 1 1 -5  29  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  4  o 534.324 8.8200  154795.80  5104.39  161258.30  7218.73  148333.50  7218.65  545.070 12.228  522.718 12.750  22.35107       17.66581  
1 1 1 -5  29  5  o 543.313 8.7452  160050.00  5146.22  158613.91  7277.50  161486.50  7278.20  540.542 12.430  545.426 12.320  -4.884399      17.50144  
1 1 1 -5  29  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  7  o 465.774 7.6341  117605.00  3851.25  118267.50  5446.45  116942.30  5446.52  466.853 10.771  464.224 10.832  2.628174       15.27603  
1 1 1 -5  29  8  o 210.178 4.5840  23932.39   1043.52  24159.69   1802.91  23817.88   1279.66  211.094 7.8855  209.654 5.6353  1.439377       9.692175  
1 1 1 -5  29  9  f 469.758 11.065  119811.50  5629.82  112060.40  7960.44  127567.80  7963.09  453.647 16.201  484.179 15.185  -30.53259      22.20485  
1 1 1 -5  29  10 o 581.517 11.114  183692.50  7000.29  190979.09  8574.37  169127.41  12122.60 592.537 13.360  556.057 20.128  36.47949       24.15873  
1 1 1 -5  29  11 o 611.710 11.698  203458.80  7750.44  199786.00  13425.61 205294.59  9491.80  603.651 20.534  613.862 14.276  -10.21112      25.00917  
1 1 1 -5  29  12 o 353.244 6.1012  67664.12   2334.32  67054.37   3301.33  68273.79   3301.14  351.415 8.6736  354.604 8.5951  -3.189331      12.21091  
1 1 1 -5  29  13 o 370.783 6.8341  74600.82   2744.54  74999.86   3602.47  74048.82   4237.02  371.509 8.9528  368.893 10.604  2.616028       13.87836  
1 1 1 -5  29  14 o 33.756  4.2184  627.262    150.863  595.480    215.352  657.892    211.408  32.572  6.3323  34.342  5.8960  -1.769821      8.652242  
1 1 1 -5  29  15 o 210.643 4.0204  24051.15   917.248  22914.64   1829.70  24432.65   1060.08  205.302 8.2284  212.276 4.6107  -6.973297      9.432125  
1 1 1 -5  29  16 o 138.225 3.1634  10353.84   473.594  10727.99   938.170  10225.90   548.629  140.570 6.1619  137.352 3.6879  3.218277       7.181213  
1 1 1 -5  29  17 o 326.560 5.6872  57889.91   2011.55  54637.50   4020.30  58976.06   2323.28  316.027 11.745  329.488 6.5102  -13.46066      13.42886  
1 1 1 -5  29  18 o 284.789 5.4164  44028.19   1670.71  43576.78   4491.97  44100.66   1799.83  280.779 14.823  284.969 5.8313  -4.190552      15.92899  
1 1 1 -5  29  19 o 227.919 4.2655  28179.02   1052.99  28665.92   2099.18  28015.31   1217.21  229.320 8.4515  227.190 4.9466  2.129807       9.792710  
1 1 1 -5  29  20 o 412.955 7.0504  92849.34   3153.47  97828.96   6304.34  91187.64   3641.81  420.682 13.836  408.848 8.2240  11.83423       16.09576  
1 1 1 -5  29  21 o 179.678 3.6685  17514.03   713.919  18196.48   1422.45  17284.23   825.408  182.695 7.1885  178.440 4.2708  4.254593       8.361481  
1 1 1 -5  29  22 o 53.828  1.8369  1569.98    107.096  1652.62    160.525  1503.69    143.768  55.209  2.6845  52.666  2.5204  2.542709       3.682232  
1 1 1 -5  29  23 o 103.993 2.9490  5868.26    332.156  5109.67    593.039  6215.01    400.947  96.614  5.6924  106.981 3.4603  -10.36713      6.661589  
1 1 1 -5  29  24 o 40.096  4.4344  886.536    189.352  1316.69    349.852  708.326    225.185  48.494  6.8516  35.477  6.0790  13.01676       9.159623  
1 1 1 -5  29  25 f 149.587 3.3627  12176.36   544.817  14865.43   1107.17  11317.18   625.831  164.329 6.2206  144.067 4.0107  20.26189       7.401462  
1 1 1 -5  29  26 o 49.752  4.1734  1362.05    222.813  1990.74    477.325  1186.89    251.946  59.290  7.6085  46.225  5.1181  13.06506       9.169727  
1 1 1 -5  29  27 o 160.337 3.5360  14038.41   614.067  14402.42   1233.85  13918.57   707.973  160.398 7.1022  159.423 4.1001  0.9750519      8.200733  
1 1 1 -5  29  28 o 55.249  4.1741  1685.29    247.938  1007.15    500.840  1905.44    285.358  40.463  11.096  58.671  4.5255  -18.20760      11.98307  
1 1 1 -5  29  29 o 29.448  6.9274  510.635    217.255  242.388    454.633  590.020    247.321  25.854  10.463  31.568  7.3677  -5.713781      12.79640  
1 1 1 -5  29  30 o 65.850  3.8402  2398.78    272.703  2357.74    556.181  2411.77    312.895  62.909  8.3704  65.808  4.4154  -2.898880      9.463612  
1 1 1 -5  29  31 f 48.290  2.0606  1270.82    107.776  1324.55    116.972  968.867    277.298  49.280  2.1915  40.620  6.5236  8.659794       6.881865  
1 1 1 -5  29  32 o 32.875  1.3635  587.565    48.548   -116.8490  474.822  595.007    48.804   20.661  9.4531  33.082  1.3620  -12.42105      9.550732  
1 1 1 -5  29  33 o 39.745  10.343  1153.40    449.524  0.0000     0.0000   1153.40    449.524  ?       ?       39.745  10.343  0.000000       10.34278  
1 1 1 -5  29  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  30  1  o 361.362 6.9360  70767.20   2714.72  70365.59   4699.53  70968.32   3325.72  360.078 12.050  361.811 8.4866  -1.733521      14.73856  
1 1 1 -5  30  2  o 690.010 16.117  258834.00  12045.12 257121.80  17034.29 260546.30  17034.46 686.380 22.913  690.971 22.761  -4.590942      32.29708  
1 1 1 -5  30  3  o 510.172 8.5112  141106.20  4703.01  137832.41  6650.79  144380.70  6651.33  503.930 12.185  515.788 11.906  -11.85782      17.03621  
1 1 1 -5  30  4  o 526.832 8.8506  150490.09  5050.26  154065.30  7142.12  146914.91  7142.17  532.746 12.378  520.206 12.676  12.53949       17.71688  
1 1 1 -5  30  5  o 408.420 6.9197  90403.15   3060.99  89338.05   4328.43  91468.70   4329.34  405.849 9.8468  410.667 9.7333  -4.818298      13.84550  
1 1 1 -5  30  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  30  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  30  8  o 139.945 3.6424  10608.79   552.092  10976.14   949.703  10421.28   678.523  142.313 6.1613  138.693 4.5169  3.620102       7.639637  
1 1 1 -5  30  9  o 795.381 16.167  344590.31  13927.40 334697.59  18216.20 358510.00  21607.89 782.148 21.503  808.190 24.685  -26.04175      32.73705  
1 1 1 -5  30  10 o 160.760 3.3420  13999.87   581.910  14234.26   826.708  13769.69   819.232  162.077 4.7094  159.409 4.7449  2.667511       6.685188  
1 1 1 -5  30  11 o 768.647 18.011  323178.81  14994.42 322824.31  21205.73 323533.31  21204.89 764.341 25.615  765.198 25.585  -0.8566284     36.20420  
1 1 1 -5  30  12 o 524.900 8.7402  149631.59  4969.01  147482.20  7027.64  151780.59  7026.84  520.355 12.469  527.927 12.289  -7.572021      17.50718  
1 1 1 -5  30  13 o 391.793 6.6823  83295.34   2835.65  81076.00   4009.88  85515.44   4010.55  386.131 9.5880  396.604 9.3363  -10.47281      13.38268  
1 1 1 -5  30  14 o 235.401 4.3663  30039.16   1113.24  29965.72   1574.93  30112.50   1573.79  234.996 6.1877  235.572 6.1681  -0.5763092     8.736914  
1 1 1 -5  30  15 o 29.719  5.3622  493.841    166.251  84.338     277.579  722.910    207.606  20.070  8.1562  36.097  5.4825  -16.02704      9.827552  
1 1 1 -5  30  16 o 427.023 7.2384  99100.29   3347.83  108153.40  6695.42  96082.28   3865.79  443.998 13.923  420.192 8.4942  23.80582       16.30935  
1 1 1 -5  30  17 o 306.598 5.8352  51037.30   1937.73  51694.12   5276.58  50934.92   2083.29  305.639 15.995  306.228 6.2811  -0.5888367     17.18412  
1 1 1 -5  30  18 o 215.513 4.3811  25192.99   1022.66  25748.68   1922.74  24973.78   1207.64  217.449 8.1638  214.504 5.1980  2.945526       9.678142  
1 1 1 -5  30  19 o 81.673  3.0233  3615.51    267.444  4070.81    523.219  3454.48    311.165  86.391  5.6223  79.819  3.5993  6.571617       6.675730  
1 1 1 -5  30  20 o 197.311 3.8886  21118.69   831.028  20703.39   1656.96  21258.26   960.575  194.865 7.8507  197.908 4.4812  -3.043900      9.039637  
1 1 1 -5  30  21 o 81.188  3.1519  3574.40    277.159  2874.01    529.628  3838.53    325.250  72.305  6.8443  84.119  3.5699  -11.81354      7.719402  
1 1 1 -5  30  22 f 137.397 3.2950  10242.62   490.353  9602.53    951.911  10473.81   572.097  132.657 6.6251  138.896 3.8029  -6.238907      7.638994  
1 1 1 -5  30  23 o 162.993 3.4829  14429.11   614.875  14515.48   1223.39  14399.92   711.232  162.782 6.9389  162.748 4.0348  0.3442383E-01  8.026692  
1 1 1 -5  30  24 o 57.831  3.3982  1824.31    211.918  1820.83    407.761  1825.59    248.048  57.188  6.7107  57.774  3.9884  -0.5859337     7.806482  
1 1 1 -5  30  25 o 63.994  2.4644  2223.71    170.816  2295.27    221.814  2119.42    267.760  64.961  3.1526  62.216  3.9946  2.745148       5.088803  
1 1 1 -5  30  26 o 70.497  3.4080  2708.31    260.220  2892.21    549.806  2655.23    295.401  71.763  7.1695  69.623  3.9334  2.140205       8.177668  
1 1 1 -5  30  27 o 73.093  2.3424  2904.15    185.443  3329.15    294.771  2625.78    238.567  78.082  3.4855  69.394  3.1741  8.688606       4.714164  
1 1 1 -5  30  28 o 16.317  6.7961  42.325     199.073  -620.0448  426.133  227.236    225.152  16.404  7.9248  21.380  7.6605  -4.975437      11.02208  
1 1 1 -5  30  29 o 16.338  1.8278  146.850    31.791   146.883    31.957   143.702    312.491  16.338  1.8377  21.378  8.6660  -5.039158      8.858715  
1 1 1 -5  30  30 o 31.293  6.8369  580.576    225.247  866.676    465.638  493.176    257.363  36.762  10.908  28.585  7.9981  8.176661       13.52582  
1 1 1 -5  30  31 o 39.604  1.5032  852.342    64.481   1145.85    93.104   581.779    89.390   45.876  1.8738  32.516  2.5588  13.35942       3.171545  
1 1 1 -5  30  32 o 26.906  9.0390  463.175    311.071  570.981    474.267  381.781    412.096  29.404  11.021  25.873  10.126  3.531065       14.96625  
1 1 1 -5  30  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  30  34 o 31.501  13.177  965.438    753.060  0.0000     0.0000   965.438    753.060  ?       ?       31.501  13.177  0.000000       13.17723  
1 1 1 -5  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  31  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  31  2  o 538.338 8.7947  157130.20  5127.95  165406.41  7252.46  148856.00  7251.58  552.042 12.130  523.631 12.786  28.41089       17.62409  
1 1 1 -5  31  3  o 324.396 6.0549  57021.30   2127.43  58059.67   2797.68  55597.62   3275.87  327.272 7.8926  320.191 9.4460  7.080566       12.30930  
1 1 1 -5  31  4  o 676.783 15.790  249023.91  11574.26 241269.59  16367.79 256779.41  16369.17 664.769 22.733  685.971 22.032  -21.20239      31.65711  
1 1 1 -5  31  5  o 256.390 4.8830  35613.16   1355.99  37557.80   1793.32  33016.98   2072.08  263.263 6.2892  246.794 7.7518  16.46843       9.982198  
1 1 1 -5  31  6  o 175.520 3.4945  16687.30   664.325  16444.21   939.312  16930.59   939.682  174.218 4.9779  176.777 4.9078  -2.558746      6.990405  
1 1 1 -5  31  7  o 372.698 7.2005  75295.72   2906.65  67953.30   5030.02  78976.69   3561.48  353.668 13.131  381.621 8.6164  -27.95288      15.70576  
1 1 1 -5  31  8  o 91.733  3.7182  4558.38    369.423  4593.18    520.070  4522.93    524.850  91.920  5.2455  91.206  5.3363  0.7140961      7.482738  
1 1 1 -5  31  9  o 435.111 8.4719  102702.20  3992.58  102163.00  4890.15  103780.20  6914.60  433.779 10.408  436.655 14.620  -2.875031      17.94686  
1 1 1 -5  31  10 o 342.677 5.9123  63655.17   2194.38  64236.65   3104.11  63074.28   3102.53  344.074 8.3294  340.941 8.4017  3.132996       11.83079  
1 1 1 -5  31  11 f 306.668 6.2194  50994.93   2065.81  50300.46   2530.58  52382.26   3576.71  304.473 7.6736  310.434 10.638  -5.961884      13.11654  
1 1 1 -5  31  12 o 121.510 3.0088  7998.62    395.977  7571.52    561.122  8422.31    558.875  118.197 4.3831  124.666 4.1390  -6.469101      6.028489  
1 1 1 -5  31  13 o 191.842 3.7793  19944.31   785.276  19702.40   1109.79  20186.89   1111.31  190.610 5.3756  192.942 5.3179  -2.332138      7.561503  
1 1 1 -5  31  14 o 117.700 2.9858  7505.83    380.630  7370.92    540.384  7638.67    536.225  116.608 4.2786  118.710 4.1705  -2.101883      5.974932  
1 1 1 -5  31  15 o 316.412 5.5615  54320.85   1905.95  52522.30   2695.91  56118.11   2694.94  310.815 8.0082  321.319 7.7436  -10.50424      11.13976  
1 1 1 -5  31  16 o 193.101 3.9437  20215.04   824.809  20723.04   1562.51  20018.79   971.139  195.251 7.3886  192.120 4.6670  3.130127       8.739085  
1 1 1 -5  31  17 o 229.564 4.5556  28584.85   1132.71  28158.02   2125.65  28754.11   1338.59  227.379 8.6312  230.172 5.3694  -2.793076      10.16505  
1 1 1 -5  31  18 o 298.377 5.2685  48326.71   1702.63  47802.78   3402.43  48501.75   1966.57  295.698 10.624  298.802 6.0765  -3.103912      12.23866  
1 1 1 -5  31  19 o 129.370 3.1905  9072.66    447.061  8972.84    932.076  9102.49    509.491  128.266 6.7327  129.564 3.6306  -1.298416      7.649258  
1 1 1 -5  31  20 o 109.373 3.0497  6485.02    361.280  5917.71    711.891  6681.82    419.286  104.109 6.3436  111.002 3.4875  -6.893486      7.238989  
1 1 1 -5  31  21 o 189.559 3.7840  19497.91   776.905  18107.71   1547.86  19966.08   898.246  182.083 7.8486  191.763 4.3247  -9.680069      8.961240  
1 1 1 -5  31  22 o 68.934  3.1985  2578.18    238.809  2490.53    463.012  2609.94    278.746  67.263  6.4339  69.234  3.7310  -1.971725      7.437465  
1 1 1 -5  31  23 o 55.621  3.5709  1687.64    213.990  1444.40    401.220  1784.33    252.975  50.760  7.5258  57.133  4.1156  -6.373882      8.577650  
1 1 1 -5  31  24 o 164.851 3.6906  14786.34   658.953  15536.40   1537.63  14617.60   729.319  167.095 8.5244  163.816 4.1105  3.278793       9.463720  
1 1 1 -5  31  25 o 79.598  2.7586  3443.02    237.829  4328.79    590.748  3271.68    259.814  88.433  6.2070  77.558  3.0929  10.87423       6.934879  
1 1 1 -5  31  26 o 68.476  3.5981  2564.42    265.920  2899.61    536.494  2455.25    306.178  71.898  6.9772  66.868  4.2496  5.030472       8.169446  
1 1 1 -5  31  27 o 27.536  2.0828  414.183    61.658   397.049    63.864   649.414    236.636  26.942  2.2079  33.548  6.7463  -6.605703      7.098427  
1 1 1 -5  31  28 o 12.573  5.8518  -166.7123  193.574  -57.2623   415.508  -197.0521  218.765  21.182  9.3272  13.232  6.1794  7.949827       11.18842  
1 1 1 -5  31  29 o 21.051  1.3594  241.437    30.829   0.0000     0.0000   241.437    30.829   ?       ?       21.051  1.3594  0.000000       1.359432  
1 1 1 -5  31  30 f 26.347  7.6014  414.409    228.926  511.887    457.335  381.819    264.440  29.875  10.888  25.578  8.3247  4.297012       13.70603  
1 1 1 -5  31  31 o 21.654  7.7004  254.381    227.092  670.175    448.725  111.222    263.300  32.243  10.856  19.220  7.8922  13.02289       13.42174  
1 1 1 -5  31  32 o 23.843  8.8969  329.812    308.419  556.616    468.644  156.533    409.629  28.995  10.937  22.350  9.5494  6.645088       14.51952  
1 1 1 -5  31  33 o 36.291  1.7129  719.322    67.329   0.0000     0.0000   719.322    67.329   ?       ?       36.291  1.7129  0.000000       1.712885  
1 1 1 -5  31  34 o 19.911  9.5105  -267.0616  575.403  0.0000     0.0000   -267.0616  575.403  ?       ?       19.911  9.5105  0.000000       9.510544  
1 1 1 -5  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  32  1  o 217.105 4.3107  25533.11   1013.65  25426.77   1348.66  25671.16   1536.73  216.628 5.7480  217.651 6.5188  -1.022751      8.691036  
1 1 1 -5  32  2  o 491.558 10.520  131079.70  5601.13  136173.00  8718.60  127500.30  7308.92  500.444 16.085  484.488 13.928  15.95618       21.27739  
1 1 1 -5  32  3  o 332.486 5.8158  59898.70   2094.36  57380.12   2961.61  62418.18   2962.14  325.326 8.4050  339.323 8.0598  -13.99680      11.64493  
1 1 1 -5  32  4  o 297.828 5.0399  48056.16   1625.75  46078.33   2298.81  50035.18   2299.51  291.569 7.2793  303.841 6.9875  -12.27130      10.09026  
1 1 1 -5  32  5  o 691.687 13.077  259844.80  9796.58  258517.00  11997.49 262501.69  16970.51 689.411 16.067  693.230 22.602  -3.819092      27.73101  
1 1 1 -5  32  6  o 393.555 7.7322  83968.28   3295.95  84302.21   5704.86  83800.97   4038.07  393.919 13.371  393.057 9.4852  0.8618164      16.39379  
1 1 1 -5  32  7  o 538.122 10.382  157146.59  6051.26  162678.00  10478.40 154378.80  7412.20  546.429 17.705  533.069 12.838  13.35938       21.86943  
1 1 1 -5  32  8  o 120.206 3.2864  7827.05    427.879  7753.14    526.096  7971.46    735.400  119.630 4.0603  121.283 5.5983  -1.653008      6.915646  
1 1 1 -5  32  9  o 473.738 9.1202  121795.80  4679.64  124814.60  5731.76  115760.70  8104.25  479.338 11.040  460.799 16.238  18.53857       19.63558  
1 1 1 -5  32  10 o 203.462 4.6667  22432.87   1028.40  22123.79   1648.82  22629.67   1315.68  201.951 7.5380  204.311 5.9455  -2.360428      9.600544  
1 1 1 -5  32  11 o 227.961 4.9151  28165.90   1213.56  27515.09   1487.06  29463.56   2099.82  225.261 6.0950  232.971 8.3217  -7.709991      10.31498  
1 1 1 -5  32  12 o 245.916 4.4693  32777.19   1190.40  34282.75   1684.72  31276.06   1682.24  251.405 6.1870  240.110 6.4685  11.29509       8.951061  
1 1 1 -5  32  13 o 345.462 6.4220  64760.88   2402.95  64381.54   3157.04  65283.29   3704.89  344.194 8.4685  346.380 9.8754  -2.185364      13.00915  
1 1 1 -5  32  14 o 278.747 4.9964  42136.50   1508.48  42564.68   2134.38  41709.17   2132.26  279.971 7.0386  277.136 7.1036  2.834839       10.00015  
1 1 1 -5  32  15 o 442.064 8.1940  106279.50  3923.30  103935.80  6078.01  107953.60  5136.78  435.812 12.876  444.882 10.660  -9.069580      16.71661  
1 1 1 -5  32  16 o 266.038 4.7943  38391.10   1381.47  38157.55   2762.83  38468.95   1595.21  264.575 9.6413  266.236 5.5320  -1.660522      11.11564  
1 1 1 -5  32  17 f 279.953 4.9992  42525.76   1515.86  45308.70   3032.59  41598.82   1750.19  288.196 9.7153  276.788 5.8380  11.40756       11.33446  
1 1 1 -5  32  18 o 101.174 2.8402  5547.26    311.230  5362.87    564.173  5627.92    373.146  99.256  5.2667  101.892 3.3812  -2.636101      6.258648  
1 1 1 -5  32  19 o 99.193  3.0421  5333.32    326.828  5073.41    638.791  5425.49    380.385  96.416  6.1491  100.031 3.5109  -3.614998      7.080784  
1 1 1 -5  32  20 o 203.344 3.9808  22433.22   876.752  22560.81   1747.09  22390.27   1013.63  203.374 7.9314  203.087 4.6082  0.2875671      9.172894  
1 1 1 -5  32  21 o 288.456 5.1578  45232.86   1611.45  47052.87   3221.82  44625.64   1860.95  292.601 10.166  286.321 6.0008  6.280518       11.80507  
1 1 1 -5  32  22 o 134.846 3.2082  9866.58    468.574  9283.75    933.701  10062.77   541.730  130.221 6.6420  136.139 3.6739  -5.917770      7.590403  
1 1 1 -5  32  23 o 107.580 3.0246  6282.69    352.430  6051.19    701.705  6360.78    407.563  105.001 6.1975  108.205 3.4776  -3.203796      7.106536  
1 1 1 -5  32  24 o 118.723 3.0871  7659.32    396.969  7353.51    789.977  7762.63    459.151  115.531 6.3373  119.455 3.5488  -3.923958      7.263298  
1 1 1 -5  32  25 o 102.008 3.0821  5660.18    340.523  5785.88    713.370  5623.08    387.522  102.174 6.4798  101.605 3.5214  0.5688171      7.374781  
1 1 1 -5  32  26 o 48.881  1.9956  1296.92    105.652  1373.37    116.599  946.172    249.756  50.293  2.1405  41.030  5.7803  9.262566       6.163872  
1 1 1 -5  32  27 o 67.498  3.5591  2496.03    259.273  2431.21    537.307  2515.70    296.016  65.236  7.7565  67.648  4.0588  -2.412231      8.754245  
1 1 1 -5  32  28 o 54.065  2.3923  1590.81    140.092  1885.74    493.808  1565.00    146.094  56.873  8.2578  53.611  2.5160  3.262302       8.632609  
1 1 1 -5  32  29 o 45.091  4.7579  1139.16    228.860  1673.61    478.785  980.883    260.554  53.000  8.6381  41.399  5.9845  11.60092       10.50856  
1 1 1 -5  32  30 o 46.996  5.1444  1249.81    257.581  883.664    496.185  1384.88    301.370  36.927  11.327  49.239  5.7598  -12.31162      12.70715  
1 1 1 -5  32  31 o 15.100  7.0497  -218.7983  284.396  -240.5055  434.341  -202.5073  376.273  19.061  8.8352  17.960  8.2892  1.100668       12.11493  
1 1 1 -5  32  32 o 17.761  7.8590  -5.9305    298.548  150.735    456.688  -122.8487  394.524  22.903  9.9365  18.688  8.5747  4.215368       13.12476  
1 1 1 -5  32  33 o 30.755  9.8030  683.096    368.042  0.0000     0.0000   683.096    368.042  ?       ?       30.755  9.8030  0.000000       9.802980  
1 1 1 -5  32  34 o 25.931  11.269  451.592    589.256  0.0000     0.0000   451.592    589.256  ?       ?       25.931  11.269  0.000000       11.26851  
1 1 1 -5  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  33  1  o 580.737 9.1774  182884.30  5772.59  192326.00  8164.41  173446.00  8162.94  595.181 12.665  565.136 13.336  30.04547       18.39157  
1 1 1 -5  33  2  o 548.223 10.254  163035.70  6088.91  168020.80  7458.67  153075.91  10542.63 556.328 12.378  530.235 18.357  26.09296       22.14078  
1 1 1 -5  33  3  o 312.713 6.2995  52992.27   2133.63  54089.32   3693.32  52442.74   2613.95  315.736 10.800  311.035 7.7592  4.700226       13.29830  
1 1 1 -5  33  4  o 476.541 8.5945  123134.40  4436.02  119647.10  6876.40  125620.20  5805.62  469.315 13.528  481.124 11.141  -11.80948      17.52486  
1 1 1 -5  33  5  o 349.550 5.9397  66210.64   2248.77  64492.14   3179.63  67930.46   3180.84  344.872 8.5123  353.957 8.2970  -9.085022      11.88698  
1 1 1 -5  33  6  o 885.681 16.783  427042.31  16099.54 423293.09  27882.80 428917.31  19718.69 877.078 29.351  886.471 20.537  -9.393372      35.82293  
1 1 1 -5  33  7  o 209.925 5.6246  23880.88   1278.87  24302.63   1807.26  23457.88   1809.93  211.705 7.8817  207.988 8.0344  3.717087       11.25491  
1 1 1 -5  33  8  o 320.195 6.3465  55574.88   2201.00  56063.63   2696.16  54598.49   3810.80  321.526 7.7421  317.063 11.097  4.463043       13.53074  
1 1 1 -5  33  9  o 112.845 2.8674  6897.69    350.461  6859.71    495.974  6935.55    495.280  112.522 4.0696  113.142 4.0416  -0.6206589     5.735545  
1 1 1 -5  33  10 o 147.495 3.7347  11786.50   596.621  11675.20   1034.97  11841.89   730.146  146.732 6.5123  147.826 4.5603  -1.093567      7.950231  
1 1 1 -5  33  11 o 223.050 4.8269  26966.02   1166.10  27630.31   1430.14  25648.27   2014.26  225.735 5.8494  217.332 8.5570  8.402954       10.36518  
1 1 1 -5  33  12 o 476.490 8.8022  123371.10  4542.71  122282.50  5944.51  124899.20  7043.02  473.799 11.584  478.317 13.595  -4.517517      17.86066  
1 1 1 -5  33  13 o 88.854  2.8474  4277.29    274.026  4154.87    389.758  4396.95    385.341  87.554  4.1101  90.071  3.9499  -2.517387      5.700421  
1 1 1 -5  33  14 f 120.091 3.0161  7814.19    392.312  8024.42    561.553  7613.76    548.311  121.664 4.2614  118.510 4.2717  3.154305       6.033848  
1 1 1 -5  33  15 o 299.267 5.7201  48604.48   1854.11  45937.89   2849.92  50561.43   2441.43  290.481 9.0583  305.017 7.3901  -14.53680      11.69040  
1 1 1 -5  33  16 o 107.944 2.9092  6313.90    340.125  7187.01    657.054  5994.29    397.533  115.086 5.2712  105.162 3.4901  9.923912       6.321906  
1 1 1 -5  33  17 o 163.660 3.4599  14518.88   613.311  15145.63   1225.06  14309.26   708.490  166.931 6.7757  162.447 4.0267  4.484711       7.881881  
1 1 1 -5  33  18 o 449.310 7.5998  109880.80  3698.45  112396.10  7396.80  109042.30  4270.62  451.068 15.140  447.203 8.8169  3.864502       17.52038  
1 1 1 -5  33  19 o 201.801 3.8853  22087.77   849.213  20213.93   1686.20  22724.56   982.973  192.559 8.0849  204.641 4.4348  -12.08202      9.221365  
1 1 1 -5  33  20 o 125.661 3.1505  8561.61    428.792  7441.85    857.422  8935.06    495.157  116.708 6.8126  128.352 3.5618  -11.64388      7.687562  
1 1 1 -5  33  21 o 99.162  3.0522  5332.54    327.819  5859.21    658.336  5158.89    378.018  103.581 5.8924  97.508  3.5793  6.073143       6.894360  
1 1 1 -5  33  22 o 201.515 3.9357  22059.81   859.006  23459.12   1718.64  21593.82   991.774  206.916 7.6687  199.264 4.5953  7.651978       8.940109  
1 1 1 -5  33  23 o 66.522  2.5547  2400.77    184.065  3538.79    471.847  2196.51    199.902  80.328  5.4556  63.613  2.9014  16.71546       6.179134  
1 1 1 -5  33  24 o 72.454  3.0990  2853.23    243.196  3134.96    488.733  2760.51    280.372  75.336  6.0404  71.125  3.6518  4.210457       7.058505  
1 1 1 -5  33  25 f 64.614  2.4155  2267.30    169.046  2477.27    220.542  1968.22    263.213  67.487  3.0172  59.911  4.0806  7.575642       5.074902  
1 1 1 -5  33  26 o 37.906  1.2316  778.821    50.563   686.438    72.948   864.245    70.147   35.514  1.9034  39.917  1.6225  -4.403378      2.501065  
1 1 1 -5  33  27 o 30.481  6.6518  537.964    213.434  693.263    439.268  489.969    244.197  34.257  10.682  28.956  7.6659  5.300714       13.14828  
1 1 1 -5  33  28 o 69.421  3.5489  2645.72    265.951  2831.76    549.628  2588.85    303.896  70.334  7.3223  68.510  4.1145  1.823616       8.399119  
1 1 1 -5  33  29 o 78.381  3.5528  3372.64    301.616  3698.79    598.430  3261.57    349.215  80.313  6.9479  76.759  4.2166  3.554268       8.127293  
1 1 1 -5  33  30 o 55.251  4.3968  1704.43    260.941  1096.36    517.937  1911.27    302.079  40.957  11.305  58.353  4.8228  -17.39605      12.29088  
1 1 1 -5  33  31 o 21.266  8.5400  179.974    300.397  181.260    454.473  178.977    400.313  24.101  10.168  23.139  9.6372  0.9618740      14.00925  
1 1 1 -5  33  32 o 16.179  6.9873  27.294     223.763  -250.2956  453.315  116.719    257.293  18.738  8.7970  18.663  7.7456  0.7568169E-01  11.72100  
1 1 1 -5  33  33 o 31.818  9.7474  732.549    367.590  0.0000     0.0000   732.549    367.590  ?       ?       31.818  9.7474  0.000000       9.747416  
1 1 1 -5  33  34 o 19.203  9.2257  -322.3954  558.878  0.0000     0.0000   -322.3954  558.878  ?       ?       19.203  9.2257  0.000000       9.225669  
1 1 1 -5  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  34  1  o 158.077 3.0921  13534.61   529.416  13710.28   750.743  13360.83   746.688  159.087 4.3570  157.046 4.3898  2.040817       6.184921  
1 1 1 -5  34  2  o 400.744 7.0046  87041.41   3040.32  84543.40   4299.99  89538.65   4299.33  394.782 10.056  406.296 9.7698  -11.51450      14.02069  
1 1 1 -5  34  3  o 277.795 4.7448  41807.43   1427.63  43779.82   2019.71  39837.91   2018.24  284.223 6.5609  271.116 6.8730  13.10703       9.501755  
1 1 1 -5  34  4  f 184.061 3.6163  18351.06   720.938  18270.50   1019.16  18431.75   1019.96  183.635 5.1241  184.444 5.1056  -0.8088837     7.233508  
1 1 1 -5  34  5  o 402.497 7.7154  87828.93   3363.50  85896.48   5822.29  88796.88   4120.66  397.596 13.520  404.602 9.4031  -7.005341      16.46850  
1 1 1 -5  34  6  o 191.020 4.1750  19767.26   863.789  18857.63   1487.65  20229.92   1060.96  186.505 7.3644  193.227 5.0694  -6.721191      8.940591  
1 1 1 -5  34  7  o 351.230 7.0627  66880.38   2686.79  65822.38   3291.11  68994.58   4652.32  348.341 8.7230  356.366 12.053  -8.025055      14.87857  
1 1 1 -5  34  8  f 311.199 6.2566  52498.14   2108.85  51698.36   2583.18  54096.28   3651.56  308.740 7.7249  315.604 10.682  -6.863586      13.18279  
1 1 1 -5  34  9  o 172.328 3.4419  16087.87   642.419  15578.74   907.571  16599.13   909.467  169.548 4.9422  175.017 4.7977  -5.468109      6.887911  
1 1 1 -5  34  10 o 590.544 11.335  189666.09  7250.03  182412.09  12557.25 193293.30  8879.49  576.522 20.110  595.565 13.765  -19.04272      24.36990  
1 1 1 -5  34  11 o 290.511 6.8233  45788.31   2146.99  47436.40   2784.87  43373.45   3371.01  295.525 8.7004  282.334 11.024  13.19113       14.04346  
1 1 1 -5  34  12 o 286.082 5.0776  44374.73   1573.32  45447.89   2225.76  43303.00   2224.27  289.358 7.1019  282.431 7.2712  6.926270       10.16398  
1 1 1 -5  34  13 o 211.083 4.0357  24149.83   922.673  23631.33   1305.75  24666.91   1303.96  208.712 5.7762  213.245 5.6457  -4.532349      8.077022  
1 1 1 -5  34  14 o 104.808 2.8831  5951.69    327.283  6265.13    465.539  5645.40    460.203  107.508 3.9980  102.049 4.1636  5.459679       5.772347  
1 1 1 -5  34  15 o 31.604  4.8679  554.368    161.278  509.783    244.599  588.660    214.514  30.041  7.5315  32.370  6.3453  -2.328451      9.848158  
1 1 1 -5  34  16 o 243.071 5.1644  32059.17   1359.63  32967.94   2354.85  31604.73   1665.23  246.032 8.8369  241.220 6.3737  4.812119       10.89567  
1 1 1 -5  34  17 o 146.786 3.3624  11679.00   534.563  11331.17   1189.44  11767.04   598.401  144.111 7.6477  147.322 3.7502  -3.210831      8.517738  
1 1 1 -5  34  18 o 275.516 4.9462  41199.03   1476.02  43005.78   2952.92  40597.26   1704.19  280.616 9.7156  273.391 5.7552  7.225372       11.29226  
1 1 1 -5  34  19 o 136.265 3.1805  10066.35   469.413  11054.77   943.756  9741.44    541.092  142.595 6.1106  134.022 3.7276  8.573654       7.157815  
1 1 1 -5  34  20 o 230.084 4.3270  28735.71   1078.31  30509.96   2154.68  28142.87   1245.51  236.317 8.4182  227.602 5.0524  8.715363       9.817966  
1 1 1 -5  34  21 o 131.678 3.2995  9406.14    470.579  10940.63   994.443  8963.38    534.172  141.669 6.4809  128.503 3.8379  13.16557       7.532043  
1 1 1 -5  34  22 o 254.391 4.9958  35232.23   1376.50  35588.76   3628.88  35172.31   1487.68  251.305 13.380  254.061 5.4063  -2.756058      14.43133  
1 1 1 -5  34  23 o 204.035 4.2254  22661.61   933.765  23171.25   2338.72  22564.96   1018.46  203.277 10.660  203.497 4.6208  -0.2198944     11.61796  
1 1 1 -5  34  24 o 78.645  2.7118  3359.23    230.991  2936.39    349.158  3688.32    308.035  73.224  4.4233  82.334  3.4542  -9.110107      5.612225  
1 1 1 -5  34  25 o 65.640  3.1654  2344.82    225.042  2774.31    431.930  2184.79    263.656  70.797  5.6807  63.167  3.8724  7.630013       6.874968  
1 1 1 -5  34  26 o 95.599  3.2280  4980.58    334.240  4864.83    671.802  5018.66    385.314  93.303  6.6922  95.867  3.7109  -2.564751      7.652220  
1 1 1 -5  34  27 o 37.836  5.3014  805.592    211.287  1215.30    450.856  690.288    239.177  45.158  9.5180  34.618  6.6201  10.53958       11.59390  
1 1 1 -5  34  28 o 31.768  0.8667  546.927    29.820   559.239    30.087   -139.1893  224.593  32.124  0.8647  14.190  6.4958  17.93368       6.553111  
1 1 1 -5  34  29 o 45.425  5.2235  1164.90    252.318  458.636    484.296  1428.04    295.608  29.495  11.120  50.235  5.5243  -20.73962      12.41693  
1 1 1 -5  34  30 o 42.527  7.3143  1071.27    324.756  1406.01    486.062  801.335    436.479  47.416  9.7889  35.412  10.573  12.00381       14.40864  
1 1 1 -5  34  31 o 40.904  7.7313  1023.99    329.972  1669.83    493.911  503.365    443.457  51.374  9.2150  28.835  10.686  22.53889       14.11070  
1 1 1 -5  34  32 o 63.943  3.9186  2309.01    270.081  2671.83    460.532  2118.81    333.441  66.541  6.4719  60.354  5.1501  6.186474       8.271001  
1 1 1 -5  34  33 o 38.201  2.6884  811.139    110.524  0.0000     0.0000   811.139    110.524  ?       ?       38.201  2.6884  0.000000       2.688383  
1 1 1 -5  34  34 o 28.721  11.800  707.500    588.969  0.0000     0.0000   707.500    588.969  ?       ?       28.721  11.800  0.000000       11.79980  
1 1 1 -5  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  35  1  o 440.159 8.5611  105051.10  4081.43  108741.00  7067.62  103204.80  4999.28  447.294 14.588  436.131 10.583  11.16263       18.02303  
1 1 1 -5  35  2  o 691.665 22.957  261424.09  17198.30 261424.09  17198.30 0.0000     0.0000   691.665 22.957  ?       ?       0.000000       22.95725  
1 1 1 -5  35  3  o 641.162 17.946  223885.80  12462.65 217426.50  14808.32 239569.09  23074.53 631.034 21.666  659.091 32.323  -28.05713      38.91311  
1 1 1 -5  35  4  o 623.582 14.782  211424.30  9984.02  218515.30  14116.35 204326.91  14122.73 632.772 20.597  611.718 21.316  21.05457       29.64105  
1 1 1 -5  35  5  o 400.757 7.8035  87078.63   3387.21  82532.28   5863.29  89355.91   4149.71  389.659 13.893  405.853 9.4402  -16.19391      16.79655  
1 1 1 -5  35  6  o 398.573 9.5759  86197.75   4133.88  89107.75   5846.39  83288.17   5845.97  404.879 13.332  391.383 13.791  13.49551       19.18128  
1 1 1 -5  35  7  o 498.525 9.5635  134881.70  5163.87  138033.20  6325.25  128583.60  8941.73  504.061 11.586  485.615 17.000  18.44553       20.57288  
1 1 1 -5  35  8  o 280.254 5.4804  42568.81   1663.55  41595.83   2035.38  44526.54   2887.16  276.973 6.7848  286.409 9.3071  -9.435730      11.51765  
1 1 1 -5  35  9  o 299.143 5.1948  48501.45   1683.11  48879.05   2380.25  48123.82   2380.32  300.183 7.3209  297.852 7.3784  2.331909       10.39410  
1 1 1 -5  35  10 o 471.151 9.1422  120570.70  4665.32  119332.60  8080.75  121189.70  5713.76  467.316 15.965  472.015 11.176  -4.698669      19.48825  
1 1 1 -5  35  11 o 376.854 6.4404  77042.65   2628.78  74435.66   3717.85  79649.08   3717.45  370.083 9.2752  382.868 8.9645  -12.78558      12.89929  
1 1 1 -5  35  12 o 531.611 8.8895  153627.20  5118.50  150371.50  7238.50  156883.09  7238.81  524.909 12.732  536.240 12.463  -11.33081      17.81681  
1 1 1 -5  35  13 o 506.982 8.4988  139734.70  4666.80  143270.30  6600.29  136200.09  6599.41  512.410 11.893  499.509 12.198  12.90125       17.03603  
1 1 1 -5  35  14 o 216.698 4.3792  25459.87   1027.82  25219.24   1559.86  25644.51   1366.40  215.505 6.6828  217.386 5.8033  -1.881897      8.850896  
1 1 1 -5  35  15 o 349.714 6.0507  66395.69   2291.87  64872.77   3242.51  67916.13   3239.87  345.231 8.6716  353.277 8.4672  -8.046661      12.11988  
1 1 1 -5  35  16 o 351.726 6.0792  67179.74   2315.92  67127.05   3276.09  67232.38   3274.33  351.104 8.6149  351.382 8.6034  -0.2779236     12.17519  
1 1 1 -5  35  17 o 184.825 3.6764  18520.05   735.953  20284.92   1474.04  17934.03   849.396  193.147 7.0461  181.840 4.3127  11.30714       8.261195  
1 1 1 -5  35  18 o 202.874 3.9306  22320.88   863.695  23153.78   1729.28  22044.05   996.946  206.203 7.7428  201.562 4.5666  4.640778       8.989182  
1 1 1 -5  35  19 o 91.534  2.9890  4541.74    296.336  5735.17    600.930  4158.28    340.633  102.605 5.4266  87.566  3.5915  15.03897       6.507486  
1 1 1 -5  35  20 o 123.016 3.1029  8205.47    413.424  9397.06    833.677  7816.86    476.089  131.435 5.8562  120.038 3.6618  11.39739       6.906808  
1 1 1 -5  35  21 o 124.629 3.1405  8425.33    423.931  9211.25    849.176  8164.43    489.261  130.029 6.0296  122.647 3.6831  7.381981       7.065479  
1 1 1 -5  35  22 o 99.695  3.0194  5393.62    326.032  5397.76    654.660  5392.26    375.973  99.234  6.1208  99.649  3.4835  -0.4146957     7.042642  
1 1 1 -5  35  23 o 51.909  3.5929  1471.92    200.759  1382.37    406.183  1500.87    230.939  49.488  7.8392  52.351  4.1058  -2.862709      8.849315  
1 1 1 -5  35  24 o 181.290 3.6614  17896.10   718.940  20806.17   1456.62  16958.87   826.645  194.117 6.9281  176.288 4.3294  17.82831       8.169595  
1 1 1 -5  35  25 o 64.292  3.3977  2257.62    235.755  2463.69    513.418  2202.56    265.388  66.206  7.2801  63.418  3.8824  2.788235       8.250598  
1 1 1 -5  35  26 o 10.039  4.9164  -346.9869  180.103  -472.7752  393.103  -313.5680  202.620  16.634  7.9219  11.332  5.4721  5.301627       9.628075  
1 1 1 -5  35  27 o 50.410  4.1713  1403.34    225.704  1666.04    476.759  1327.45    256.238  53.471  8.5178  48.836  4.9109  4.635807       9.832086  
1 1 1 -5  35  28 o 48.259  2.6330  1273.11    137.107  1157.89    153.991  1713.80    301.164  45.930  3.1139  55.377  5.0777  -9.447834      5.956433  
1 1 1 -5  35  29 o 70.237  5.1177  2764.62    386.648  2541.98    567.521  2957.48    528.199  65.680  8.1530  71.708  6.8854  -6.028069      10.67149  
1 1 1 -5  35  30 o 8.7539  2.0952  43.415     19.601   -67.8317   29.102   135.785    26.518   3.8121  1.8877  15.730  1.5777  -11.91802      2.460176  
1 1 1 -5  35  31 o 31.643  6.9885  609.694    233.118  303.344    473.600  707.652    267.807  25.835  10.594  33.899  7.4933  -8.063412      12.97608  
1 1 1 -5  35  32 o 16.463  7.3643  -34.6208   269.510  0.0000     0.0000   -34.6208   269.510  ?       ?       16.463  7.3643  0.000000       7.364330  
1 1 1 -5  35  33 o 21.897  9.2620  213.116    378.668  0.0000     0.0000   213.116    378.668  ?       ?       21.897  9.2620  0.000000       9.261960  
1 1 1 -5  35  34 o 22.829  10.380  173.288    561.135  0.0000     0.0000   173.288    561.135  ?       ?       22.829  10.380  0.000000       10.37969  
1 1 1 -5  35  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  36  1  o 91.555  3.0150  4540.24    298.982  3505.15    505.732  5096.37    370.698  80.213  5.8617  96.998  3.5285  -16.78492      6.841761  
1 1 1 -5  36  2  o 526.982 9.7118  150648.59  5543.28  140753.30  9598.37  155600.80  6790.12  508.427 17.430  535.368 11.710  -26.94052      20.99831  
1 1 1 -5  36  3  o 330.624 6.5284  59244.81   2337.82  55820.53   4046.10  60960.93   2864.34  320.652 11.650  335.318 7.8868  -14.66589      14.06868  
1 1 1 -5  36  4  o 401.571 7.8139  87433.02   3398.58  87778.84   5884.06  87259.89   4163.27  401.893 13.517  401.054 9.5843  0.8394775      16.57051  
1 1 1 -5  36  5  o 218.203 5.7704  25802.44   1363.77  25568.93   1928.39  26036.07   1928.93  217.137 8.1995  219.114 8.1279  -1.977203      11.54532  
1 1 1 -5  36  6  o 482.763 9.2850  126462.40  4854.99  125866.80  5946.69  127652.80  8407.48  481.385 11.405  484.090 16.035  -2.705078      19.67755  
1 1 1 -5  36  7  o 224.844 4.6388  27393.15   1129.69  29021.97   1385.20  24158.11   1952.16  231.406 5.5267  211.012 8.5415  20.39346       10.17362  
1 1 1 -5  36  8  o 745.876 13.043  302746.31  10536.58 315536.09  13755.55 284587.69  16390.26 760.292 16.704  720.391 21.006  39.90155       26.83827  
1 1 1 -5  36  9  o 342.467 5.8903  63586.70   2184.86  65901.05   3090.02  61272.84   3089.70  348.461 8.1872  335.974 8.4906  12.48639       11.79497  
1 1 1 -5  36  10 o 224.508 5.9449  27332.78   1445.59  27179.73   2045.45  27485.51   2043.29  223.728 8.4411  224.987 8.3850  -1.258987      11.89791  
1 1 1 -5  36  11 o 76.864  2.8278  3200.66    235.420  3273.85    340.129  3133.35    326.178  77.618  4.0600  75.935  3.9798  1.683006       5.685253  
1 1 1 -5  36  12 o 91.635  2.8151  4549.19    279.401  4161.97    397.746  4926.39    392.569  87.627  4.1908  95.343  3.8015  -7.715424      5.658110  
1 1 1 -5  36  13 o 145.014 3.3115  11395.15   520.114  12242.36   718.907  10464.67   753.410  150.272 4.4170  138.913 5.0075  11.35942       6.677151  
1 1 1 -5  36  14 o 233.918 4.5861  29671.57   1161.93  28621.66   1769.69  30467.13   1540.48  229.530 7.1185  236.923 6.0032  -7.392502      9.311871  
1 1 1 -5  36  15 o 335.952 5.8236  61264.90   2119.04  62096.06   2998.53  60435.67   2995.04  337.836 8.1947  333.269 8.2973  4.566711       11.66183  
1 1 1 -5  36  16 o 218.705 4.1248  25936.79   977.091  27151.44   1386.32  24737.78   1377.36  223.635 5.7234  213.441 5.9580  10.19353       8.261633  
1 1 1 -5  36  17 o 303.945 5.3487  50148.39   1760.80  53085.12   3522.09  49169.84   2033.11  311.687 10.433  300.836 6.2396  10.85022       12.15656  
1 1 1 -5  36  18 o 243.275 4.4906  32111.96   1183.24  32113.08   2367.14  32111.59   1366.17  242.578 9.0095  243.196 5.1865  -0.6176758     10.39577  
1 1 1 -5  36  19 o 290.538 5.1722  45847.01   1627.60  47019.46   3255.85  45456.40   1879.26  292.980 10.260  289.152 6.0005  3.828430       11.88606  
1 1 1 -5  36  20 o 299.718 5.2828  48830.31   1714.92  52547.13   3431.38  47592.85   1979.92  309.327 10.242  295.692 6.1821  13.63483       11.96308  
1 1 1 -5  36  21 o 118.799 3.0660  7655.53    394.510  7647.28    787.142  7658.30    455.905  118.283 6.1655  118.788 3.5435  -0.5044785     7.111209  
1 1 1 -5  36  22 o 142.659 3.2617  11049.29   503.981  11752.61   1009.84  10816.01   581.587  146.612 6.3593  141.081 3.8061  5.531738       7.411295  
1 1 1 -5  36  23 o 101.237 2.9925  5566.45    328.127  5316.82    658.372  5648.95    378.483  98.283  6.2168  101.939 3.4280  -3.656075      7.099276  
1 1 1 -5  36  24 o 47.842  4.0171  1256.59    206.232  1927.48    464.791  1092.13    230.125  58.524  7.5055  44.429  4.8615  14.09446       8.942407  
1 1 1 -5  36  25 o 54.488  2.2655  1612.08    133.703  1456.12    474.553  1625.53    139.348  50.118  9.0764  54.709  2.3516  -4.591156      9.376098  
1 1 1 -5  36  26 o 53.877  3.9550  1596.14    229.178  1602.97    481.997  1594.15    260.510  52.507  8.7857  53.720  4.5193  -1.212540      9.879928  
1 1 1 -5  36  27 o 36.733  1.6219  732.219    64.528   748.279    66.486   471.512    267.885  37.133  1.6531  28.422  8.2294  8.711058       8.393834  
1 1 1 -5  36  28 o 21.437  7.5547  237.499    218.107  257.634    425.869  230.340    253.939  25.651  10.213  21.920  8.0939  3.731176       13.03168  
1 1 1 -5  36  29 o 24.039  8.7381  300.557    294.262  6.0266     445.174  529.104    392.150  22.311  9.7431  29.904  10.148  -7.593590      14.06832  
1 1 1 -5  36  30 o 56.456  2.6170  1742.51    160.027  1703.02    185.531  1857.24    316.262  55.627  3.0915  57.310  5.1500  -1.683277      6.006665  
1 1 1 -5  36  31 o 15.394  6.7989  -28.9934   222.424  -390.2211  445.398  91.020     256.728  17.847  8.4804  18.473  7.7078  -0.6258755     11.45986  
1 1 1 -5  36  32 o 34.222  7.7156  755.741    279.153  0.0000     0.0000   755.741    279.153  ?       ?       34.222  7.7156  0.000000       7.715586  
1 1 1 -5  36  33 o 42.771  9.1700  1272.82    412.046  0.0000     0.0000   1272.82    412.046  ?       ?       42.771  9.1700  0.000000       9.169986  
1 1 1 -5  36  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  36  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  37  1  o 314.311 6.2036  53539.17   2111.89  49085.22   3653.89  55773.51   2587.95  300.708 11.219  320.751 7.4493  -20.04361      13.46664  
1 1 1 -5  37  2  o 118.860 3.2728  7652.43    421.326  6666.13    720.187  8165.64    519.504  110.745 6.0268  122.776 3.9067  -12.03039      7.182241  
1 1 1 -5  37  3  o 83.850  3.5694  3808.54    324.168  3887.72    463.488  3732.71    453.558  84.554  5.0846  82.845  5.0792  1.708778       7.186916  
1 1 1 -5  37  4  o 619.092 14.523  208470.70  9737.97  208083.00  13772.01 208858.30  13771.12 617.157 20.603  618.316 20.563  -1.159180      29.10889  
1 1 1 -5  37  5  o 322.216 6.4694  56278.25   2257.78  56868.88   2766.24  55099.64   3907.67  323.828 7.8869  318.516 11.327  5.312378       13.80233  
1 1 1 -5  37  6  o 196.143 4.3752  20844.55   929.487  21146.47   1139.77  20245.09   1606.03  197.536 5.3272  193.208 7.6747  4.328476       9.342355  
1 1 1 -5  37  7  o 434.116 7.9412  102234.40  3733.91  101549.60  4890.56  103191.50  5781.71  432.390 10.443  435.628 12.254  -3.238525      16.09986  
1 1 1 -5  37  8  o 89.844  2.5123  4372.21    244.475  4574.83    342.624  4162.06    348.941  91.894  3.4424  87.648  3.6757  4.245827       5.035932  
1 1 1 -5  37  9  o 414.108 6.9676  93025.16   3125.12  93219.50   4419.40  92830.78   4419.78  414.192 9.8512  413.324 9.8728  0.8675232      13.94700  
1 1 1 -5  37  10 o 181.145 4.1594  17782.51   816.073  17384.85   998.629  18581.93   1415.90  179.075 5.1487  185.051 7.0643  -5.975967      8.741519  
1 1 1 -5  37  11 o 105.735 2.8970  6056.88    331.767  6238.34    473.754  5882.26    464.755  107.287 4.0769  104.179 4.1188  3.107788       5.795347  
1 1 1 -5  37  12 o 202.544 4.4614  22239.29   978.730  22367.11   1385.88  22112.11   1382.39  203.022 6.3025  201.860 6.3228  1.161926       8.927456  
1 1 1 -5  37  13 o 375.144 6.3852  76392.60   2594.44  78790.17   3670.42  73998.49   3667.77  380.565 8.9046  368.758 9.1831  11.80676       12.79150  
1 1 1 -5  37  14 o 272.198 4.8788  40185.73   1438.36  41161.80   2034.36  39210.05   2033.94  275.284 6.8230  268.658 6.9898  6.625549       9.767874  
1 1 1 -5  37  15 o 89.767  2.7320  4366.21    265.629  4762.10    412.686  4086.17    347.086  93.719  4.0656  86.822  3.6909  6.896774       5.491087  
1 1 1 -5  37  16 o 261.539 4.9717  37114.21   1408.36  37022.72   2156.56  37182.25   1859.70  260.880 7.6322  261.594 6.5637  -0.7138062     10.06641  
1 1 1 -5  37  17 f 38.390  1.7247  798.330    71.711   819.072    77.271   669.555    192.537  38.885  1.8347  34.728  5.2855  4.156761       5.594899  
1 1 1 -5  37  18 o 23.103  1.6382  290.587    40.727   285.631    41.740   388.909    185.920  22.900  1.6949  26.232  6.5606  -3.332264      6.775992  
1 1 1 -5  37  19 o 252.894 4.9995  34732.84   1369.41  36444.76   2562.88  34048.78   1620.06  258.195 9.1645  250.240 5.9773  7.955276       10.94152  
1 1 1 -5  37  20 o 137.707 3.2931  10285.19   491.175  11948.42   967.862  9708.25    570.033  148.159 6.0314  133.745 3.9351  14.41364       7.201531  
1 1 1 -5  37  21 o 47.157  2.3833  1208.65    121.333  1440.69    404.103  1185.66    127.202  50.771  7.5808  46.695  2.5245  4.075993       7.990113  
1 1 1 -5  37  22 o 80.108  2.9848  3483.07    258.974  4494.25    529.138  3164.56    296.974  90.607  5.4166  76.320  3.5926  14.28754       6.499770  
1 1 1 -5  37  23 o 29.767  2.1692  483.178    69.455   432.542    74.074   851.620    199.813  28.126  2.4562  39.216  4.8047  -11.09007      5.396157  
1 1 1 -5  37  24 o 126.749 3.1601  8738.20    433.829  9167.79    898.412  8607.57    495.417  128.948 6.4327  125.709 3.6386  3.238945       7.390462  
1 1 1 -5  37  25 o 38.592  1.8289  807.998    76.445   820.812    81.347   711.191    223.589  38.893  1.9311  35.429  6.0434  3.463657       6.344466  
1 1 1 -5  37  26 o 81.671  2.5343  3627.59    224.184  3529.22    374.602  3682.47    279.827  80.119  4.3329  82.194  3.1433  -2.074265      5.352966  
1 1 1 -5  37  27 o 62.185  3.8927  2127.44    260.864  1941.56    514.274  2191.83    302.697  57.742  8.4753  62.969  4.4672  -5.226753      9.580528  
1 1 1 -5  37  28 o 16.777  7.4867  -84.1293   276.753  -129.6459  417.593  -48.4798   369.569  20.279  9.1123  19.981  8.7974  0.2984066      12.66602  
1 1 1 -5  37  29 o 31.776  2.2717  552.950    77.671   1193.18    460.764  534.226    78.799   43.709  9.9554  31.219  2.3476  12.49000       10.22842  
1 1 1 -5  37  30 o 33.568  1.4439  612.048    52.497   624.475    53.554   306.361    265.610  33.906  1.4583  23.560  8.3332  10.34587       8.459855  
1 1 1 -5  37  31 o 10.337  5.1238  -472.6379  216.402  -54.9490   431.872  -612.6714  250.060  20.479  9.2284  10.654  5.3177  9.825327       10.65084  
1 1 1 -5  37  32 f 18.442  7.7389  106.908    261.012  0.0000     0.0000   106.908    261.012  ?       ?       18.442  7.7389  0.000000       7.738891  
1 1 1 -5  37  33 o 23.861  2.2824  316.065    58.265   0.0000     0.0000   316.065    58.265   ?       ?       23.861  2.2824  0.000000       2.282388  
1 1 1 -5  37  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  37  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  38  1  o 246.865 6.2888  33029.48   1681.51  34665.29   2380.24  31399.78   2375.80  252.813 8.6926  240.592 9.1171  12.22026       12.59698  
1 1 1 -5  38  2  o 716.171 16.788  279361.50  13022.63 269140.81  18417.30 289581.00  18416.27 700.768 24.265  727.200 23.382  -26.43213      33.69719  
1 1 1 -5  38  3  o 278.489 5.8304  42030.93   1758.65  40766.79   2155.16  44550.31   3042.50  274.215 7.2564  286.525 9.8038  -12.31061      12.19713  
1 1 1 -5  38  4  o 182.295 4.1515  18003.60   819.697  17920.72   1005.87  18167.44   1414.30  181.857 5.1067  183.054 7.1333  -1.196487      8.772837  
1 1 1 -5  38  5  o 689.442 12.938  258461.80  9661.20  264890.81  11833.36 245609.50  16731.27 697.305 15.668  669.131 23.086  28.17456       27.90068  
1 1 1 -5  38  6  o 373.796 6.3826  75748.92   2584.05  76521.63   3654.19  74976.03   3654.62  375.500 8.9849  371.680 9.0783  3.819794       12.77273  
1 1 1 -5  38  7  o 606.804 9.7099  199953.09  6381.67  191806.30  9024.07  208103.50  9026.02  593.428 14.040  618.263 13.479  -24.83533      19.46274  
1 1 1 -5  38  8  o 202.989 3.8294  22325.08   841.915  22418.80   1189.25  22230.92   1192.05  203.367 5.3991  202.512 5.4347  0.8552094      7.660702  
1 1 1 -5  38  9  o 297.729 6.0763  48070.50   1959.43  45948.84   3393.19  49131.93   2400.02  290.657 10.778  300.901 7.3641  -10.24454      13.05396  
1 1 1 -5  38  10 o 204.842 4.5170  22743.39   1002.16  22303.34   1226.12  23629.01   1739.41  202.804 5.5820  208.620 7.6980  -5.815475      9.508782  
1 1 1 -5  38  11 o 429.730 7.2703  100261.20  3383.89  103224.70  4785.82  97298.50   4785.26  435.513 10.146  422.763 10.451  12.74973       14.56538  
1 1 1 -5  38  12 f 337.170 5.8648  61677.77   2141.78  61578.17   3028.87  61777.38   3029.00  336.589 8.3083  337.135 8.2952  -0.5459290     11.74039  
1 1 1 -5  38  13 o 192.195 3.7531  20021.17   781.267  20899.61   1108.70  19154.76   1101.09  196.289 5.2149  187.905 5.4102  8.384018       7.514392  
1 1 1 -5  38  14 o 140.357 3.1766  10675.67   482.910  10555.04   685.784  10794.32   680.127  139.513 4.5384  141.089 4.4507  -1.576157      6.356522  
1 1 1 -5  38  15 o 98.809  2.8127  5290.29    301.015  5620.01    453.777  5031.18    402.262  101.809 4.1152  96.335  3.8553  5.473877       5.638955  
1 1 1 -5  38  16 o 216.288 4.1323  25368.04   968.041  25867.07   1373.17  24875.00   1364.90  218.262 5.8087  214.028 5.8879  4.234146       8.270892  
1 1 1 -5  38  17 o 147.205 3.2666  11745.94   520.822  11956.56   1048.33  11676.92   600.124  148.312 6.5261  146.749 3.7757  1.563477       7.539581  
1 1 1 -5  38  18 o 131.699 3.1195  9402.23    444.974  11593.29   895.145  8683.10    512.823  146.076 5.6578  126.534 3.7419  19.54136       6.783206  
1 1 1 -5  38  19 o 117.291 3.0644  7458.58    389.295  7766.52    778.551  7355.92    449.526  119.345 6.0427  116.458 3.5638  2.886330       7.015342  
1 1 1 -5  38  20 o 256.631 4.6800  35781.95   1300.83  38291.57   2603.28  34946.79   1501.76  264.296 9.0941  253.469 5.4702  10.82755       10.61254  
1 1 1 -5  38  21 o 173.916 3.7247  16424.79   701.624  15246.63   1666.80  16678.51   773.490  166.141 9.3000  175.208 4.0760  -9.066132      10.15397  
1 1 1 -5  38  22 o 86.961  2.6967  4103.23    253.994  4424.07    566.033  4022.33    284.215  89.793  5.8521  86.077  3.0485  3.716209       6.598492  
1 1 1 -5  38  23 o 146.865 3.2902  11726.14   523.372  12101.08   1051.04  11602.51   603.518  148.351 6.5412  145.991 3.8167  2.360214       7.573287  
1 1 1 -5  38  24 o 29.900  5.8293  507.856    181.995  861.246    421.341  426.799    201.791  38.315  10.034  27.261  6.8442  11.05335       12.14605  
1 1 1 -5  38  25 o 53.356  3.8456  1562.12    220.748  2006.71    474.300  1439.19    249.407  59.526  7.5246  51.064  4.5573  8.462120       8.797104  
1 1 1 -5  38  26 o 114.716 3.2474  7177.25    403.491  6782.00    799.946  7312.12    467.289  110.050 6.7437  115.659 3.7302  -5.609169      7.706659  
1 1 1 -5  38  27 o 67.029  3.1878  2453.36    231.433  2642.33    538.552  2410.56    256.306  67.980  7.4356  66.276  3.5839  1.704590       8.254187  
1 1 1 -5  38  28 o 43.859  6.9230  1114.16    317.957  1338.20    473.121  929.624    429.373  46.884  9.6390  38.773  10.117  8.111401       13.97395  
1 1 1 -5  38  29 o 38.623  5.9967  859.909    242.724  941.271    467.124  829.816    284.087  38.391  10.787  37.428  7.2699  0.9631233      13.00822  
1 1 1 -5  38  30 o 53.961  2.4835  1591.44    145.152  2386.20    513.782  1522.51    151.317  63.337  7.6440  52.679  2.6606  10.65770       8.093805  
1 1 1 -5  38  31 o 18.996  7.5703  150.188    234.159  234.295    457.680  120.367    272.528  24.277  10.221  19.271  7.9826  5.006807       12.96874  
1 1 1 -5  38  32 o 50.028  5.6045  1484.09    298.463  0.0000     0.0000   1484.09    298.463  ?       ?       50.028  5.6045  0.000000       5.604481  
1 1 1 -5  38  33 o 57.947  6.7052  2094.07    413.059  0.0000     0.0000   2094.07    413.059  ?       ?       57.947  6.7052  0.000000       6.705190  
1 1 1 -5  38  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  38  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  39  1  o 730.823 20.481  291882.19  16212.19 291882.19  16212.19 0.0000     0.0000   730.823 20.481  ?       ?       0.000000       20.48138  
1 1 1 -5  39  2  o 133.789 3.6194  9696.30    524.484  9672.91    655.538  9737.89    874.296  133.616 4.5297  134.041 6.0221  -0.4246368     7.535527  
1 1 1 -5  39  3  o 747.508 14.289  304026.81  11569.01 302193.81  14170.06 307691.19  20035.36 744.357 17.576  748.514 24.713  -4.157715      30.32578  
1 1 1 -5  39  4  o 79.721  3.0667  3442.62    264.795  2970.20    328.017  4326.43    448.656  73.928  4.1128  89.236  4.6582  -15.30734      6.213974  
1 1 1 -5  39  5  o 210.651 3.8148  24039.83   870.377  24425.35   1230.64  23653.98   1231.16  212.294 5.3521  208.913 5.4410  3.381683       7.632121  
1 1 1 -5  39  6  o 829.087 18.878  376011.59  16952.47 376011.59  16952.47 0.0000     0.0000   829.087 18.878  ?       ?       0.000000       18.87828  
1 1 1 -5  39  7  o 24.537  4.3047  335.862    110.231  167.683    159.489  489.674    152.525  18.618  6.4666  29.665  4.9194  -11.04704      8.125086  
1 1 1 -5  39  8  o 255.972 4.5472  35509.14   1260.69  35766.16   1781.81  35251.50   1783.96  256.805 6.4060  254.948 6.4604  1.857513       9.098043  
1 1 1 -5  39  9  o 493.085 10.595  132256.09  5658.37  132763.80  8808.85  131899.41  7382.93  492.471 16.515  491.643 13.865  0.8279114      21.56293  
1 1 1 -5  39  10 o 569.584 10.915  176635.80  6733.45  175973.80  8246.07  177960.41  11664.61 567.745 13.410  568.675 18.938  -0.9298096     23.20506  
1 1 1 -5  39  11 o 139.625 3.1559  10562.82   477.264  10745.99   678.121  10383.04   671.831  140.796 4.4468  138.397 4.4819  2.399200       6.313604  
1 1 1 -5  39  12 o 229.576 4.2748  28571.15   1062.96  28209.66   1503.25  28932.64   1503.25  228.001 6.0873  230.910 6.0106  -2.909119      8.554657  
1 1 1 -5  39  13 o 407.972 6.9185  90401.93   3057.12  86769.55   4323.19  94035.08   4323.65  399.054 10.002  415.524 9.6069  -16.46979      13.86869  
1 1 1 -5  39  14 o 107.901 2.9624  6308.87    346.209  6305.71    498.688  6311.81    481.017  107.840 4.2695  107.897 4.1161  -0.5680084E-01 5.930494  
1 1 1 -5  39  15 o 242.092 5.1303  31800.68   1345.21  31768.14   1908.66  31832.79   1896.22  241.731 7.2900  241.984 7.2349  -0.2529297     10.27072  
1 1 1 -5  39  16 f 153.337 3.3710  12744.59   559.847  13110.69   798.675  12390.93   784.989  155.454 4.7435  151.124 4.7958  4.330338       6.745382  
1 1 1 -5  39  17 o 233.000 5.0093  29466.97   1264.16  30961.35   2189.67  28719.87   1548.25  238.333 8.4825  229.887 6.2181  8.445953       10.51748  
1 1 1 -5  39  18 o 72.957  2.5474  2884.46    201.293  3280.33    487.116  2802.94    221.050  77.473  5.8482  71.913  2.8380  5.560402       6.500459  
1 1 1 -5  39  19 o 266.570 4.8165  38593.67   1390.64  37799.16   2781.33  38858.49   1605.76  262.632 9.7777  267.357 5.5452  -4.724915      11.24063  
1 1 1 -5  39  20 o 150.111 3.3384  12224.15   542.778  13193.28   1084.97  11900.64   626.859  155.580 6.4386  148.063 3.9089  7.516632       7.532293  
1 1 1 -5  39  21 o 194.477 3.8532  20545.97   811.633  19902.64   1621.47  20761.05   937.540  190.478 7.8595  195.395 4.4300  -4.917603      9.022016  
1 1 1 -5  39  22 o 219.402 4.3961  26210.68   1044.66  24810.55   2665.43  26464.79   1135.51  209.691 11.784  220.361 4.7575  -10.66994      12.70783  
1 1 1 -5  39  23 o 74.224  3.0125  2993.73    242.186  3595.35    494.673  2804.06    277.752  80.797  5.6890  71.785  3.5723  9.011688       6.717605  
1 1 1 -5  39  24 o 123.841 3.1334  8343.73    420.293  9025.23    870.175  8136.38    479.994  127.919 6.2806  122.198 3.6266  5.721771       7.252461  
1 1 1 -5  39  25 o 13.535  6.1560  -115.5047  197.580  75.397     396.439  -178.5928  227.901  22.730  9.5380  13.908  6.4301  8.822368       11.50303  
1 1 1 -5  39  26 o 33.761  6.2640  652.638    220.621  649.268    437.527  653.787    255.479  33.400  10.693  33.544  7.2437  -0.1439362     12.91545  
1 1 1 -5  39  27 o 29.734  8.6133  521.689    293.403  141.413    436.509  835.089    396.271  24.266  10.081  37.132  9.7343  -12.86572      14.01399  
1 1 1 -5  39  28 f 40.289  2.5320  888.237    109.925  1104.17    475.350  876.037    112.988  42.084  10.471  39.995  2.6228  2.088795       10.79454  
1 1 1 -5  39  29 o 36.686  1.9057  734.041    75.462   737.902    78.630   689.001    268.549  36.772  1.9816  33.932  7.5060  2.839485       7.763135  
1 1 1 -5  39  30 o 27.654  7.5219  465.676    231.268  -118.0837  466.832  655.538    266.234  21.037  9.5264  32.767  7.6420  -11.73055      12.21275  
1 1 1 -5  39  31 o 35.175  1.3018  672.607    49.597   282.653    472.757  676.947    49.872   24.959  10.441  35.288  1.3049  -10.32929      10.52191  
1 1 1 -5  39  32 o 34.578  9.9099  855.240    390.254  0.0000     0.0000   855.240    390.254  ?       ?       34.578  9.9099  0.000000       9.909861  
1 1 1 -5  39  33 o 24.619  9.4839  403.191    357.114  0.0000     0.0000   403.191    357.114  ?       ?       24.619  9.4839  0.000000       9.483945  
1 1 1 -5  39  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  40  1  o 66.889  3.4683  2430.17    250.411  2430.17    250.411  0.0000     0.0000   66.889  3.4683  ?       ?       0.000000       3.468345  
1 1 1 -5  40  2  f 280.490 8.1112  42674.27   2464.18  42674.27   2464.18  0.0000     0.0000   280.490 8.1112  ?       ?       0.000000       8.111194  
1 1 1 -5  40  3  o 221.825 5.2454  26666.00   1260.25  27260.17   1622.11  25761.24   2001.67  224.234 6.6789  217.908 8.4811  6.326294       10.79521  
1 1 1 -5  40  4  o 679.503 11.281  250883.59  8302.22  246626.09  11741.07 255141.09  11741.17 672.547 16.118  684.137 15.845  -11.58948      22.60232  
1 1 1 -5  40  5  o 582.551 9.4467  184243.50  5960.52  178507.50  8428.91  189981.00  8429.99  572.647 13.590  590.856 13.173  -18.20868      18.92627  
1 1 1 -5  40  6  o 635.449 10.396  219393.41  7154.93  217082.09  10118.26 221705.00  10118.93 631.034 14.804  637.762 14.649  -6.727661      20.82674  
1 1 1 -5  40  7  o 262.051 4.6751  37215.93   1326.92  37286.93   1875.78  37144.82   1877.32  262.205 6.6050  261.704 6.6230  0.5011902      9.353628  
1 1 1 -5  40  8  o 353.491 5.9156  67759.13   2264.90  69217.42   3203.17  66301.04   3202.94  357.050 8.2829  349.427 8.4630  7.622589       11.84178  
1 1 1 -5  40  9  o 215.064 4.6144  25070.68   1074.85  29968.65   1868.11  22646.77   1314.18  234.974 7.3403  204.343 5.9378  30.63084       9.441242  
1 1 1 -5  40  10 o 111.764 3.3634  6768.24    407.143  7075.73    496.579  6137.59    711.152  114.262 4.0125  106.181 6.2107  8.080887       7.394143  
1 1 1 -5  40  11 o 410.654 6.9968  91555.83   3112.04  93168.72   4400.75  89942.45   4401.44  413.750 9.8202  406.487 9.9972  7.263458       14.01355  
1 1 1 -5  40  12 o 211.149 4.0250  24166.99   920.508  24070.32   1301.82  24263.65   1301.77  210.628 5.7065  211.473 5.6834  -0.8457489     8.053851  
1 1 1 -5  40  13 o 143.167 3.1783  11107.06   492.844  11680.13   698.783  10539.85   695.205  146.771 4.3957  139.414 4.6040  7.356506       6.365482  
1 1 1 -5  40  14 o 189.992 3.7167  19566.91   764.828  20291.65   1085.97  18853.65   1077.34  193.391 5.1845  186.403 5.3362  6.988632       7.440051  
1 1 1 -5  40  15 o 244.727 4.7941  32490.06   1270.75  32191.48   1685.16  32883.66   1934.80  243.438 6.3912  245.932 7.2636  -2.494019      9.675104  
1 1 1 -5  40  16 o 169.477 3.5438  15570.78   650.497  15026.48   922.524  16109.02   917.382  166.396 5.1187  172.300 4.9158  -5.903854      7.096952  
1 1 1 -5  40  17 o 85.823  2.7051  3991.60    251.457  4119.18    332.323  3820.71    384.608  87.163  3.5201  83.817  4.2505  3.346809       5.518871  
1 1 1 -5  40  18 o 114.637 2.9907  7123.62    371.330  6695.23    727.494  7274.56    431.818  110.806 6.0850  115.827 3.4421  -5.021156      6.991100  
1 1 1 -5  40  19 o 55.945  2.3425  1696.19    141.944  1691.70    177.280  1704.20    236.930  55.782  2.9447  55.903  3.9382  -0.1209717     4.917380  
1 1 1 -5  40  20 o 54.214  3.4539  1601.29    201.756  1685.02    414.320  1575.26    230.993  55.106  7.1074  53.714  3.9991  1.391289       8.155237  
1 1 1 -5  40  21 o 102.798 2.9788  5734.17    331.659  5390.97    668.382  5846.27    382.007  99.149  6.2560  103.767 3.3989  -4.618195      7.119731  
1 1 1 -5  40  22 o 77.523  3.0167  3263.50    253.302  2912.90    512.991  3376.54    291.289  72.582  6.5975  78.824  3.4119  -6.242775      7.427540  
1 1 1 -5  40  23 o 103.312 2.8809  5799.07    322.362  5364.31    590.128  5983.98    384.856  98.783  5.5379  104.881 3.3879  -6.098114      6.492031  
1 1 1 -5  40  24 o 142.119 3.2308  10992.95   497.314  12917.53   1020.30  10393.24   569.550  153.059 6.1546  138.054 3.8090  15.00491       7.237944  
1 1 1 -5  40  25 o 20.493  1.1733  228.366    25.936   -427.4885  404.009  231.080    25.989   17.346  8.1930  20.615  1.1688  -3.269444      8.275976  
1 1 1 -5  40  26 o 54.129  5.7503  1640.63    331.959  1707.84    485.984  1581.85    454.516  54.213  8.5608  52.235  8.3123  1.978012       11.93240  
1 1 1 -5  40  27 o 53.829  5.8412  1632.55    335.089  1501.67    493.131  1744.83    456.733  50.106  9.4327  54.823  7.9216  -4.716476      12.31780  
1 1 1 -5  40  28 f 39.529  5.5677  889.082    231.772  799.664    466.831  918.333    267.004  35.813  10.987  39.895  6.3953  -4.081764      12.71269  
1 1 1 -5  40  29 o 67.013  2.2459  2447.14    163.008  2801.83    251.666  2190.78    213.955  71.462  3.2515  63.222  3.1245  8.239956       4.509390  
1 1 1 -5  40  30 o 20.102  7.6816  187.973    233.053  103.354    460.475  217.113    270.217  23.283  10.039  21.465  8.2550  1.817539       12.99744  
1 1 1 -5  40  31 o 15.833  6.9188  2.6281     224.812  -61.2820   462.416  22.409     257.262  20.715  9.4200  17.099  7.4382  3.615528       12.00261  
1 1 1 -5  40  32 o 25.525  9.8044  418.237    380.877  0.0000     0.0000   418.237    380.877  ?       ?       25.525  9.8044  0.000000       9.804387  
1 1 1 -5  40  33 o 57.506  6.7258  2075.33    410.997  0.0000     0.0000   2075.33    410.997  ?       ?       57.506  6.7258  0.000000       6.725760  
1 1 1 -5  40  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  41  1  o 532.499 12.584  154181.80  7257.73  152170.70  10264.17 156192.70  10263.78 527.913 17.951  534.901 17.716  -6.987976      25.22092  
1 1 1 -5  41  2  o 718.872 19.899  282746.31  15493.77 273548.91  28750.73 286510.41  18393.08 696.643 38.250  722.182 23.515  -25.53925      44.90005  
1 1 1 -5  41  3  o 169.745 4.0168  15610.79   738.493  15796.72   903.379  15236.26   1282.20  170.736 4.8851  167.621 7.0625  3.114716       8.587370  
1 1 1 -5  41  4  o 227.828 4.1477  28123.26   1023.49  27298.86   1447.36  28947.83   1447.50  224.406 5.9549  231.091 5.7832  -6.684738      8.300937  
1 1 1 -5  41  5  o 242.986 4.4725  31993.75   1177.07  30866.80   1664.86  33120.08   1664.41  238.591 6.4425  247.157 6.2175  -8.565811      8.953355  
1 1 1 -5  41  6  o 608.243 9.8897  200993.20  6515.25  199725.80  9213.75  202260.70  9214.15  605.339 14.053  609.193 13.965  -3.853760      19.81153  
1 1 1 -5  41  7  o 304.786 5.3059  50358.41   1751.55  51029.70   2476.53  49686.53   2477.60  306.659 7.4562  302.588 7.5598  4.071228       10.61816  
1 1 1 -5  41  8  o 453.475 8.2588  111669.50  4056.40  113571.50  5311.10  109006.80  6284.12  456.891 10.733  447.141 12.976  9.750763       16.83909  
1 1 1 -5  41  9  o 237.560 6.2050  30614.84   1596.55  30430.70   2255.65  30799.69   2260.07  236.639 8.8007  238.072 8.7648  -1.433685      12.42070  
1 1 1 -5  41  10 o 149.065 3.1920  12039.54   515.362  11677.24   729.110  12401.28   728.555  146.767 4.5867  151.253 4.4472  -4.486343      6.388671  
1 1 1 -5  41  11 o 159.305 3.3758  13751.91   582.474  14430.08   822.841  13070.76   824.648  163.141 4.6567  155.257 4.9040  7.883789       6.762697  
1 1 1 -5  41  12 o 125.005 3.0124  8466.96    407.854  8554.10    577.492  8380.23    576.096  125.613 4.2446  124.329 4.2781  1.284256       6.026553  
1 1 1 -5  41  13 o 49.514  3.2205  1334.19    171.772  1342.47    246.897  1326.42    239.132  49.536  4.6564  49.250  4.5339  0.2864037      6.499102  
1 1 1 -5  41  14 o 111.549 2.9388  6742.77    355.064  7177.27    511.230  6337.88    493.510  115.054 4.1024  108.114 4.2145  6.940567       5.881499  
1 1 1 -5  41  15 o 421.170 7.6938  96496.91   3509.69  101451.20  4599.79  89593.59   5429.71  431.228 9.8483  404.376 12.397  26.85159       15.83282  
1 1 1 -5  41  16 o 204.855 4.1582  22759.79   922.631  22680.62   1396.54  22821.12   1229.04  204.305 6.3111  205.016 5.5349  -0.7110443     8.394333  
1 1 1 -5  41  17 o 164.396 3.6344  14654.86   647.144  14700.62   884.787  14602.21   948.981  164.562 4.9641  163.979 5.3432  0.5827484      7.293272  
1 1 1 -5  41  18 o 88.634  3.0202  4258.72    289.937  3893.36    574.485  4383.59    335.847  84.367  6.3331  89.910  3.4488  -5.542755      7.211232  
1 1 1 -5  41  19 o 83.973  2.9732  3823.32    270.419  4071.01    546.660  3743.08    311.156  86.301  5.8834  83.069  3.4583  3.231857       6.824554  
1 1 1 -5  41  20 f 127.235 3.0959  8781.83    426.645  9717.35    858.265  8474.78    491.700  133.540 5.9339  124.951 3.6332  8.589012       6.957820  
1 1 1 -5  41  21 o 117.812 3.0738  7533.45    392.229  8013.02    783.214  7372.92    453.147  121.130 5.9698  116.503 3.5911  4.626686       6.966703  
1 1 1 -5  41  22 o 170.792 3.5524  15860.24   657.146  15657.34   1316.61  15927.56   758.363  168.650 7.2078  171.042 4.0936  -2.392075      8.289125  
1 1 1 -5  41  23 o 73.387  3.0050  2927.33    238.854  2840.95    487.179  2954.66    274.052  71.575  6.3503  73.687  3.4338  -2.112328      7.219191  
1 1 1 -5  41  24 f 94.616  2.9252  4868.51    299.772  4938.90    500.829  4829.21    374.207  94.818  4.8934  94.120  3.6708  0.6983795      6.117224  
1 1 1 -5  41  25 o 29.058  1.6632  459.538    52.129   460.481    52.609   408.569    386.729  29.087  1.6770  28.198  10.047  0.8886871      10.18552  
1 1 1 -5  41  26 o 77.930  3.3620  3315.93    283.779  3543.41    331.795  2696.15    547.667  80.467  3.8070  68.826  7.4665  11.64107       8.381042  
1 1 1 -5  41  27 o 27.113  1.5589  400.272    45.587   402.208    46.063   308.044    317.895  27.177  1.5716  24.815  9.0727  2.362461       9.207811  
1 1 1 -5  41  28 o 38.110  2.2467  793.560    92.328   765.632    98.322   1001.88    268.537  37.401  2.4405  41.786  6.1143  -4.384697      6.583408  
1 1 1 -5  41  29 o 65.055  4.0274  2347.48    282.381  2798.67    556.640  2191.14    327.674  69.104  7.5604  62.498  4.8794  6.605648       8.998236  
1 1 1 -5  41  30 f 31.641  7.0239  606.880    234.431  210.472    480.991  730.386    268.479  24.871  10.475  34.611  7.3867  -9.740726      12.81728  
1 1 1 -5  41  31 o 14.513  6.8093  -203.8286  270.905  -392.2332  460.963  -104.4239  334.830  17.828  8.5147  17.413  7.9562  0.4143906      11.65338  
1 1 1 -5  41  32 o 59.133  6.6410  2146.42    417.984  0.0000     0.0000   2146.42    417.984  ?       ?       59.133  6.6410  0.000000       6.641023  
1 1 1 -5  41  33 o 21.533  9.1556  212.958    373.221  0.0000     0.0000   212.958    373.221  ?       ?       21.533  9.1556  0.000000       9.155599  
1 1 1 -5  41  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  42  1  o 238.759 6.2251  30904.65   1609.81  30987.26   2277.47  30822.17   2275.77  238.951 8.7998  238.312 8.8168  0.6383820      12.45687  
1 1 1 -5  42  2  o 179.371 6.5059  17444.62   1263.95  18615.25   1787.51  16274.00   1787.49  185.196 8.9114  172.865 9.5846  12.33118       13.08727  
1 1 1 -5  42  3  o 555.087 13.058  167687.41  7850.78  159619.50  11101.70 175758.20  11103.67 540.096 18.978  567.013 18.080  -26.91675      26.21174  
1 1 1 -5  42  4  o 900.493 17.256  443108.50  16829.77 461277.19  20611.84 406767.69  29150.97 916.936 20.754  853.885 31.520  63.05157       37.73908  
1 1 1 -5  42  5  o 385.693 6.5446  80672.79   2733.97  76846.41   3866.18  84500.13   3866.67  376.147 9.4897  394.486 9.0497  -18.33929      13.11307  
1 1 1 -5  42  6  o 458.398 7.6684  114032.10  3807.32  119279.50  5384.84  108786.50  5383.91  468.383 10.615  447.221 11.115  21.16150       15.36911  
1 1 1 -5  42  7  o 297.506 5.1134  47981.12   1647.69  46953.91   2329.63  49009.32   2330.75  294.149 7.3122  300.531 7.1604  -6.381989      10.23424  
1 1 1 -5  42  8  o 232.001 4.8156  29177.62   1210.08  29272.89   2094.89  29129.91   1482.40  232.150 8.3315  231.753 5.9057  0.3970184      10.21226  
1 1 1 -5  42  9  o 134.172 3.5278  9754.74    512.673  9491.88    624.482  10298.11   897.866  132.332 4.3570  137.782 6.0166  -5.450180      7.428495  
1 1 1 -5  42  10 o 130.128 3.0528  9174.67    430.265  9632.24    606.528  8711.14    610.465  133.306 4.2008  126.765 4.4462  6.540733       6.116822  
1 1 1 -5  42  11 o 53.871  3.0128  1577.35    175.087  1581.91    242.528  1572.39    253.025  53.858  4.1906  53.676  4.3907  0.1817017      6.069502  
1 1 1 -5  42  12 o 228.149 4.2494  28219.98   1050.06  27714.13   1485.02  28725.82   1485.01  225.966 6.0676  230.062 5.9596  -4.096527      8.504843  
1 1 1 -5  42  13 o 185.787 3.6923  18709.53   742.985  19461.81   1051.52  17959.48   1049.96  189.406 5.1257  181.936 5.3282  7.470047       7.393457  
1 1 1 -5  42  14 o 379.528 6.5006  78242.79   2672.21  80082.44   3780.32  76405.55   3777.83  383.407 9.1033  374.450 9.3149  8.957397       13.02449  
1 1 1 -5  42  15 o 173.326 3.5363  16285.12   663.872  17064.94   944.481  15523.61   933.332  177.347 4.9170  169.137 5.0948  8.210266       7.080517  
1 1 1 -5  42  16 o 259.668 4.7296  36586.72   1330.18  36009.07   1882.64  37162.57   1879.69  257.350 6.7542  261.457 6.6377  -4.107117      9.469811  
1 1 1 -5  42  17 o 221.689 4.1907  26661.70   1006.24  26766.55   1425.58  26557.58   1420.52  221.930 5.9307  221.062 5.9328  0.8683167      8.388784  
1 1 1 -5  42  18 o 72.635  2.5646  2859.37    201.763  2903.75    294.943  2820.33    276.611  73.070  3.7393  72.113  3.5415  0.9572372      5.150188  
1 1 1 -5  42  19 o 132.374 3.2854  9504.41    471.040  10845.65   999.706  9121.67    534.036  141.081 6.5423  129.647 3.8031  11.43379       7.567406  
1 1 1 -5  42  20 o 125.521 3.0899  8547.86    420.082  10265.59   845.553  7984.94    484.045  137.262 5.6875  121.272 3.6852  15.98991       6.777024  
1 1 1 -5  42  21 o 105.787 2.9817  6073.95    341.639  6665.17    688.953  5881.16    393.417  110.329 5.7855  104.052 3.4909  6.277756       6.757123  
1 1 1 -5  42  22 f 71.570  2.5194  2779.88    195.301  2899.65    284.456  2673.09    268.618  73.015  3.5969  70.019  3.5536  2.995766       5.056311  
1 1 1 -5  42  23 o 121.160 3.1676  7983.79    415.685  8005.07    847.730  7977.05    476.963  120.326 6.5292  121.027 3.6386  -0.7009659     7.474585  
1 1 1 -5  42  24 o 53.298  5.7857  1582.09    328.630  1804.59    480.151  1386.01    450.748  56.268  8.1129  48.956  8.8254  7.312092       11.98779  
1 1 1 -5  42  25 o 91.470  4.5698  4590.61    452.736  4221.56    652.454  4933.31    628.735  86.704  7.0076  94.122  6.2022  -7.417213      9.358093  
1 1 1 -5  42  26 f 61.962  2.5201  2089.08    169.128  2223.32    205.302  1805.57    298.349  63.863  2.9681  57.036  4.8764  6.826385       5.708645  
1 1 1 -5  42  27 o 36.347  1.4684  716.880    57.806   735.905    59.317   357.698    257.741  36.825  1.4872  25.176  8.2198  11.64931       8.353230  
1 1 1 -5  42  28 o 30.502  2.3069  509.687    75.649   1366.43    464.520  486.345    76.673   47.310  9.3966  29.778  2.3976  17.53224       9.697669  
1 1 1 -5  42  29 o 51.611  2.2572  1452.22    126.177  1016.03    507.472  1480.97    130.268  39.398  11.303  52.111  2.3080  -12.71374      11.53654  
1 1 1 -5  42  30 f 35.157  6.5042  738.594    238.550  197.582    490.099  906.563    273.082  24.685  10.494  38.923  6.7207  -14.23743      12.46130  
1 1 1 -5  42  31 o 16.177  7.0553  12.718     232.737  -539.3127  466.929  195.205    268.464  16.940  8.2104  20.369  8.1095  -3.429148      11.54010  
1 1 1 -5  42  32 o 40.090  9.0016  1100.25    381.292  0.0000     0.0000   1100.25    381.292  ?       ?       40.090  9.0016  0.000000       9.001586  
1 1 1 -5  42  33 o 36.776  9.7757  1006.30    396.076  0.0000     0.0000   1006.30    396.076  ?       ?       36.776  9.7757  0.000000       9.775699  
1 1 1 -5  42  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  43  1  o 250.143 4.5153  33906.37   1223.32  34671.57   1731.09  33143.04   1728.99  252.877 6.3204  247.234 6.4568  5.643387       9.035302  
1 1 1 -5  43  2  o 275.015 6.2091  41007.15   1849.51  38562.12   4194.25  41597.34   2060.67  265.592 14.637  276.951 6.8697  -11.35968      16.16885  
1 1 1 -5  43  3  o 366.205 8.9029  72805.38   3531.22  73686.13   4993.41  71924.27   4994.39  367.969 12.529  363.521 12.685  4.447906       17.82919  
1 1 1 -5  43  4  o 699.872 16.386  267604.59  12421.45 258789.09  17565.59 276422.09  17567.59 684.996 23.676  708.363 22.897  -23.36670      32.93682  
1 1 1 -5  43  5  o 76.622  3.1644  3180.54    262.611  3188.97    439.738  3175.86    327.407  76.513  5.3398  76.455  3.9674  0.5747986E-01  6.652308  
1 1 1 -5  43  6  o 475.881 8.0098  122939.70  4128.49  122474.20  5838.42  123405.30  5838.71  474.396 11.363  476.205 11.320  -1.808502      16.03928  
1 1 1 -5  43  7  o 63.875  2.8227  2210.28    195.285  2159.15    279.164  2259.28    273.279  62.986  4.1147  64.449  3.9337  -1.463131      5.692520  
1 1 1 -5  43  8  o 86.121  3.2158  4018.45    299.965  4679.61    519.040  3686.88    367.562  92.757  5.1872  82.479  4.1145  10.27769       6.620851  
1 1 1 -5  43  9  o 138.545 3.5706  10401.42   535.803  10335.84   652.758  10536.85   938.075  138.087 4.3645  139.357 6.2150  -1.270172      7.594351  
1 1 1 -5  43  10 f 71.409  2.7779  2762.60    214.855  2738.60    299.572  2788.02    308.318  70.976  3.9120  71.610  3.9910  -0.6339493     5.588578  
1 1 1 -5  43  11 o 161.248 3.3954  14090.27   593.003  14510.66   841.153  13674.89   836.134  163.583 4.7475  158.798 4.8614  4.785858       6.795008  
1 1 1 -5  43  12 o 155.702 3.3503  13138.12   565.000  13217.11   801.582  13060.12   796.504  156.114 4.7406  155.184 4.7388  0.9298401      6.702996  
1 1 1 -5  43  13 o 126.496 3.0457  8670.95    417.281  8679.22    591.325  8662.74    588.933  126.516 4.3153  126.396 4.3019  0.1196747      6.093289  
1 1 1 -5  43  14 o 75.001  2.5515  3047.75    207.267  3128.20    265.493  2922.20    331.668  75.973  3.2264  73.290  4.1956  2.682938       5.292722  
1 1 1 -5  43  15 o 15.209  1.5428  126.588    25.064   124.971    25.278   220.655    192.790  15.108  1.5676  20.966  7.1156  -5.858230      7.286226  
1 1 1 -5  43  16 o 102.286 2.9249  5670.32    324.041  6212.52    464.946  5158.21    451.860  107.028 4.0108  97.515  4.2782  9.513420       5.864283  
1 1 1 -5  43  17 f 225.012 4.2433  27469.29   1034.14  27280.02   1463.93  27657.81   1461.06  224.025 6.0333  225.579 5.9800  -1.553223      8.494739  
1 1 1 -5  43  18 o 144.973 3.2689  11396.93   513.282  11681.07   1027.05  11302.34   592.595  146.489 6.4731  144.338 3.7906  2.150986       7.501342  
1 1 1 -5  43  19 o 48.075  3.6871  1261.59    190.528  918.662    387.802  1370.70    218.749  40.149  9.1250  50.082  4.0678  -9.933128      9.990626  
1 1 1 -5  43  20 o 111.755 2.9801  6775.80    360.718  6168.75    734.972  6968.42    414.011  106.094 6.4264  113.304 3.3736  -7.210381      7.258050  
1 1 1 -5  43  21 o 102.431 2.8526  5694.47    316.475  5542.09    582.699  5758.23    376.911  100.633 5.3654  102.957 3.3800  -2.324432      6.341278  
1 1 1 -5  43  22 o 134.182 3.1939  9785.92    464.176  9244.70    922.022  9969.65    537.219  129.495 6.5956  135.358 3.6644  -5.862625      7.545194  
1 1 1 -5  43  23 o 113.659 3.0434  7024.63    374.660  7750.45    726.028  6761.19    437.399  118.798 5.6426  111.412 3.6247  7.385063       6.706488  
1 1 1 -5  43  24 o 76.710  4.7795  3237.37    395.130  3400.07    570.204  3087.05    548.052  78.004  6.8175  74.276  6.8909  3.728050       9.693452  
1 1 1 -5  43  25 o 26.149  1.9153  373.145    53.868   710.455    432.717  367.836    54.290   34.730  10.563  25.958  1.9451  8.772444       10.74064  
1 1 1 -5  43  26 o 41.988  5.0312  986.544    224.249  1213.54    460.901  916.142    256.680  44.957  9.7464  40.140  6.0956  4.817089       11.49557  
1 1 1 -5  43  27 o 41.450  5.1176  966.743    224.874  1041.40    464.323  943.865    257.029  41.031  10.427  40.663  6.0176  0.3675842      12.03852  
1 1 1 -5  43  28 o 66.858  3.7258  2466.24    268.727  2052.28    553.486  2593.93    307.388  58.407  9.0413  68.415  4.1681  -10.00766      9.955863  
1 1 1 -5  43  29 o 61.403  3.9743  2094.28    262.897  1922.68    543.269  2146.76    300.414  55.858  9.3072  61.951  4.5081  -6.093250      10.34153  
1 1 1 -5  43  30 o 83.576  3.5142  3872.47    318.109  3527.33    647.922  3982.09    365.149  75.906  8.0015  84.468  3.9913  -8.561424      8.941664  
1 1 1 -5  43  31 o 7.3406  3.2129  -9.2369    48.653   901.004    479.867  -18.6912   48.905   34.699  11.208  7.0369  3.1432  27.66210       11.64015  
1 1 1 -5  43  32 o 36.270  9.4338  928.946    374.102  0.0000     0.0000   928.946    374.102  ?       ?       36.270  9.4338  0.000000       9.433784  
1 1 1 -5  43  33 o 27.592  11.424  598.474    557.710  0.0000     0.0000   598.474    557.710  ?       ?       27.592  11.424  0.000000       11.42381  
1 1 1 -5  43  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  44  1  o 302.947 5.1163  49743.88   1678.78  51429.05   2374.85  48060.68   2373.46  307.914 7.1209  297.643 7.3623  10.27100       10.24263  
1 1 1 -5  44  2  o 341.438 6.3120  63216.43   2334.26  59812.28   3598.04  65690.52   3067.39  331.790 10.012  347.905 8.1403  -16.11493      12.90385  
1 1 1 -5  44  3  o 259.924 5.4165  36623.90   1524.88  37342.49   2642.85  36265.29   1867.00  262.208 9.3059  258.582 6.6661  3.625305       11.44714  
1 1 1 -5  44  4  o 51.664  2.4555  1445.80    137.402  1540.40    324.774  1425.18    151.642  52.991  5.7509  51.219  2.7434  1.771732       6.371755  
1 1 1 -5  44  5  o 112.474 4.0595  6855.17    494.534  7044.19    694.397  6660.62    704.464  113.982 5.6247  110.672 5.8982  3.309982       8.150245  
1 1 1 -5  44  6  o 324.010 7.9758  57000.65   2798.99  55681.35   3956.52  58322.43   3960.23  319.805 11.422  327.340 11.170  -7.534393      15.97622  
1 1 1 -5  44  7  o 350.606 5.9985  66675.22   2277.90  67126.02   3221.07  66224.22   3221.81  351.516 8.4603  349.139 8.5198  2.376923       12.00684  
1 1 1 -5  44  8  o 151.708 3.7825  12472.38   621.520  12662.56   1075.85  12377.12   761.434  152.760 6.5024  151.102 4.6526  1.658539       7.995458  
1 1 1 -5  44  9  o 135.620 3.7006  9967.49    543.575  9880.95    641.663  10187.44   1022.95  135.011 4.3880  136.816 6.9258  -1.804779      8.198830  
1 1 1 -5  44  10 o 121.714 2.9630  8026.65    390.605  8136.89    549.902  7914.38    554.930  122.519 4.1439  120.829 4.2403  1.689438       5.928925  
1 1 1 -5  44  11 o 180.683 3.6166  17693.57   707.759  18349.49   1003.17  17043.49   998.692  183.934 5.0355  177.259 5.2018  6.675446       7.239796  
1 1 1 -5  44  12 f 101.693 2.9021  5603.51    319.652  5631.94    453.401  5575.42    450.723  101.923 4.1071  101.410 4.1035  0.5126648      5.805822  
1 1 1 -5  44  13 o 282.552 5.0367  43311.36   1541.39  44053.27   2181.31  42571.41   2178.40  284.719 7.0734  279.874 7.1863  4.845215       10.08347  
1 1 1 -5  44  14 o 321.260 5.6245  56024.95   1957.09  56118.86   2768.03  55931.07   2767.46  321.148 7.9578  320.608 7.9696  0.5399780      11.26242  
1 1 1 -5  44  15 o 145.724 3.2311  11510.02   509.978  11868.81   724.063  11156.81   718.405  147.917 4.5195  143.406 4.6252  4.511032       6.466705  
1 1 1 -5  44  16 o 171.119 3.6406  15877.38   674.748  15315.24   1013.12  16325.50   904.558  167.922 5.5704  173.436 4.8153  -5.513977      7.363178  
1 1 1 -5  44  17 o 346.125 5.9882  65126.96   2244.93  65741.98   3176.29  64513.09   3173.33  347.103 8.4487  343.822 8.5214  3.281860       11.99981  
1 1 1 -5  44  18 o 156.167 3.8939  13233.41   658.642  12861.85   1141.18  13419.00   806.536  153.644 6.8575  157.185 4.7374  -3.540939      8.334800  
1 1 1 -5  44  19 o 232.432 4.6273  29360.00   1164.93  31727.55   2189.35  28425.00   1375.86  240.657 8.3994  228.524 5.5587  12.13321       10.07216  
1 1 1 -5  44  20 o 273.990 4.9329  40870.02   1463.89  41653.71   2928.04  40608.86   1690.30  274.452 9.8501  272.866 5.7193  1.586456       11.39012  
1 1 1 -5  44  21 o 104.793 2.9581  5962.08    335.754  5927.90    675.687  5973.29    386.901  103.911 6.0295  104.848 3.4070  -0.9369354     6.925499  
1 1 1 -5  44  22 o 118.185 3.0817  7591.14    394.477  7841.28    782.956  7506.04    456.675  119.360 6.0764  117.447 3.5900  1.913048       7.057698  
1 1 1 -5  44  23 o 27.845  8.0529  442.141    256.654  911.936    415.564  152.445    326.328  39.434  9.7778  22.350  8.9272  17.08472       13.24012  
1 1 1 -5  44  24 o 144.029 5.0148  11390.23   782.298  11433.34   1172.34  11355.62   1050.35  142.854 7.6043  143.001 6.7815  -0.1472321     10.18892  
1 1 1 -5  44  25 o 104.901 3.2059  5999.83    364.247  6065.00    732.877  5978.45    419.763  104.183 6.5278  104.595 3.7053  -0.4128189     7.506050  
1 1 1 -5  44  26 o 111.357 3.2189  6771.45    388.232  6226.92    788.760  6945.54    445.998  104.991 6.9759  112.645 3.6555  -7.654221      7.875701  
1 1 1 -5  44  27 o 36.479  2.4026  727.776    94.396   767.179    465.944  726.090    96.395   35.325  11.000  36.428  2.4575  -1.102921      11.27085  
1 1 1 -5  44  28 o 24.786  7.4236  360.300    214.933  713.948    448.737  255.013    244.846  33.882  10.827  22.215  7.9855  11.66720       13.45338  
1 1 1 -5  44  29 o 31.407  6.7865  588.204    224.120  854.125    469.125  509.562    255.116  36.132  11.000  28.901  7.9165  7.230982       13.55288  
1 1 1 -5  44  30 o 14.156  6.4787  -112.0951  223.278  67.378     456.747  -168.4508  255.944  22.310  9.8026  14.571  6.7640  7.739307       11.90973  
1 1 1 -5  44  31 o 15.801  1.5880  137.435    26.810   0.0000     0.0000   137.435    26.810   ?       ?       15.801  1.5880  0.000000       1.587998  
1 1 1 -5  44  32 f 41.789  9.1148  1204.91    400.940  0.0000     0.0000   1204.91    400.940  ?       ?       41.789  9.1148  0.000000       9.114797  
1 1 1 -5  44  33 o 24.910  10.701  392.724    519.471  0.0000     0.0000   392.724    519.471  ?       ?       24.910  10.701  0.000000       10.70134  
1 1 1 -5  44  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  45  1  o 356.318 6.1356  68847.18   2367.93  69776.93   3349.66  67918.44   3347.85  358.486 8.6270  353.668 8.7398  4.818390       12.28040  
1 1 1 -5  45  2  o 467.895 8.4852  118862.40  4300.13  115954.60  6664.76  120936.20  5628.37  461.272 13.340  471.547 11.020  -10.27426      17.30319  
1 1 1 -5  45  3  o 53.887  2.7860  1577.21    162.052  1494.91    226.384  1663.71    232.073  52.370  4.0218  55.274  3.9015  -2.903713      5.603284  
1 1 1 -5  45  4  o 205.532 4.5616  22895.27   1015.46  21512.08   1759.51  23586.07   1243.44  199.053 8.1612  208.572 5.5043  -9.519180      9.843868  
1 1 1 -5  45  5  o 203.044 5.5132  22353.92   1212.44  21945.97   1712.25  22764.16   1717.06  201.054 7.8629  204.776 7.7417  -3.721405      11.03448  
1 1 1 -5  45  6  f 147.622 4.5022  11811.94   719.857  10919.71   1013.23  12721.29   1022.91  141.866 6.5941  153.140 6.1670  -11.27423      9.028563  
1 1 1 -5  45  7  o 286.794 8.4949  44690.48   2638.76  43665.68   3204.45  46849.24   4650.91  283.247 10.445  292.311 14.737  -9.063538      18.06365  
1 1 1 -5  45  8  o 229.043 6.9835  28477.93   1732.44  27979.12   2137.51  29432.96   2957.66  226.879 8.6985  232.044 11.807  -5.165451      14.66531  
1 1 1 -5  45  9  o 191.938 3.7511  19965.67   779.810  20114.81   1100.63  19815.33   1105.02  192.584 5.2766  191.141 5.3376  1.442261       7.505460  
1 1 1 -5  45  10 o 89.517  2.8510  4341.66    276.419  4269.69    390.196  4414.16    391.638  88.751  4.0592  90.241  4.0069  -1.490105      5.703730  
1 1 1 -5  45  11 o 62.940  2.8864  2146.45    196.770  2193.18    274.159  2096.81    282.581  63.480  4.0080  62.046  4.2301  1.434227       5.827363  
1 1 1 -5  45  12 o 93.926  2.8390  4780.16    288.818  4908.01    405.875  4649.02    411.074  95.150  3.9383  92.602  4.0986  2.548363       5.684072  
1 1 1 -5  45  13 o 99.076  2.8598  5319.01    306.879  5499.41    436.039  5141.96    431.974  100.714 3.9973  97.383  4.0955  3.330864       5.722849  
1 1 1 -5  45  14 o 92.075  2.8894  4594.13    288.155  4808.55    411.313  4387.46    403.817  94.171  4.0326  89.950  4.1449  4.220901       5.782899  
1 1 1 -5  45  15 o 114.672 3.0389  7126.90    377.440  7474.62    543.791  6803.66    524.302  117.391 4.2769  111.996 4.3222  5.394485       6.080570  
1 1 1 -5  45  16 o 138.409 3.2013  10384.84   479.910  10577.00   692.598  10207.38   665.598  139.611 4.5803  137.156 4.4805  2.455063       6.407320  
1 1 1 -5  45  17 o 133.377 3.1840  9644.88    459.970  10099.90   662.423  9221.22    639.189  136.410 4.4835  130.338 4.5278  6.071716       6.372047  
1 1 1 -5  45  18 o 154.838 4.0481  13012.76   678.896  14224.35   1124.77  12318.38   851.497  161.611 6.4257  150.538 5.2224  11.07262       8.280292  
1 1 1 -5  45  19 o 22.747  6.2440  290.941    158.510  131.001    323.062  341.652    181.912  22.127  8.8668  24.615  6.6611  -2.488155      11.09007  
1 1 1 -5  45  20 o 149.803 3.3163  12184.06   538.073  11956.18   1072.49  12260.71   622.022  147.817 6.6988  150.211 3.8233  -2.394089      7.713063  
1 1 1 -5  45  21 o 103.912 3.0466  5864.21    342.893  6370.23    669.688  5684.42    399.189  107.760 5.7586  102.249 3.6045  5.511612       6.793705  
1 1 1 -5  45  22 o 35.659  6.5940  721.542    245.295  967.860    344.510  468.270    349.339  41.097  8.0275  29.310  9.5696  11.78712       12.49071  
1 1 1 -5  45  23 o 98.300  4.5637  5284.06    485.891  5438.47    683.139  5125.97    691.241  99.070  6.4006  96.071  6.6847  2.999161       9.254889  
1 1 1 -5  45  24 o 52.054  4.6143  1496.65    257.457  983.742    472.445  1713.30    307.055  40.574  10.625  55.593  5.1582  -15.01900      11.81086  
1 1 1 -5  45  25 o 100.144 2.9676  5463.77    321.886  5347.79    562.344  5520.28    392.556  98.300  5.3014  100.518 3.6057  -2.217819      6.411342  
1 1 1 -5  45  26 o 84.911  3.3328  3940.38    306.503  3508.53    619.929  4080.10    352.617  78.440  7.3837  86.292  3.7728  -7.852028      8.291729  
1 1 1 -5  45  27 o 39.440  5.5839  883.998    231.862  1083.81    462.941  817.094    267.883  41.818  10.291  37.460  6.8550  4.357273       12.36504  
1 1 1 -5  45  28 o 54.565  4.3661  1658.10    255.873  1497.58    509.522  1712.23    295.888  49.181  9.9077  55.220  5.0015  -6.039001      11.09850  
1 1 1 -5  45  29 o 18.271  1.3495  182.258    26.516   436.726    447.484  181.361    26.562   28.110  10.667  18.225  1.3553  9.885429       10.75317  
1 1 1 -5  45  30 o 23.924  7.6318  352.082    223.032  392.271    471.564  340.501    253.134  26.622  10.697  23.739  8.1523  2.882689       13.44918  
1 1 1 -5  45  31 o 17.010  7.3477  40.217     247.545  0.0000     0.0000   40.217     247.545  ?       ?       17.010  7.3477  0.000000       7.347669  
1 1 1 -5  45  32 o 37.400  9.5047  996.978    385.821  0.0000     0.0000   996.978    385.821  ?       ?       37.400  9.5047  0.000000       9.504674  
1 1 1 -5  45  33 o 34.803  11.630  1052.98    514.956  0.0000     0.0000   1052.98    514.956  ?       ?       34.803  11.630  0.000000       11.63022  
1 1 1 -5  45  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  46  1  o 290.153 5.1244  45637.77   1610.44  45270.53   2278.44  46004.41   2276.57  288.838 7.2830  291.175 7.2187  -2.336853      10.25434  
1 1 1 -5  46  2  o 258.309 4.6272  36163.89   1294.59  35435.30   1831.16  36891.95   1830.48  255.585 6.6149  260.794 6.4803  -5.209076      9.260210  
1 1 1 -5  46  3  o 277.168 4.9097  41642.81   1473.89  41440.95   2084.78  41844.52   2084.01  276.363 6.9648  277.708 6.9285  -1.345154      9.824133  
1 1 1 -5  46  4  o 324.122 5.6482  56967.18   1982.84  56166.44   2804.43  57767.61   2803.90  321.619 8.0507  326.183 7.9365  -4.564240      11.30495  
1 1 1 -5  46  5  o 275.522 5.7071  41168.09   1703.11  40050.04   2950.24  41726.91   2085.75  271.357 10.038  277.292 6.9447  -5.934967      12.20614  
1 1 1 -5  46  6  o 98.949  3.9019  5305.94    418.171  5221.12    584.567  5394.83    598.442  97.965  5.5319  99.584  5.5707  -1.618507      7.850742  
1 1 1 -5  46  7  o 225.859 5.9751  27673.04   1461.68  28926.84   2066.45  26417.57   2067.81  230.739 8.2686  220.470 8.6595  10.26956       11.97317  
1 1 1 -5  46  8  o 66.547  4.0144  2408.95    287.991  2510.93    408.294  2307.98    406.274  67.807  5.6098  64.965  5.8361  2.841385       8.095084  
1 1 1 -5  46  9  o 197.692 4.7933  21191.87   1026.34  20420.51   1163.90  23888.79   2176.31  194.019 5.5386  209.495 9.5913  -15.47600      11.07561  
1 1 1 -5  46  10 o 81.900  2.8089  3634.24    249.167  3659.00    346.291  3607.67    358.792  82.161  3.8914  81.580  4.0606  0.5815353      5.624179  
1 1 1 -5  46  11 o 55.131  3.1379  1652.39    186.601  1727.02    258.860  1571.66    269.232  56.276  4.2789  53.631  4.6819  2.645729       6.342630  
1 1 1 -5  46  12 o 125.330 3.0268  8511.82    410.879  8453.68    579.195  8570.72    582.965  124.863 4.2827  125.725 4.2811  -0.8614578     6.055519  
1 1 1 -5  46  13 o 132.391 3.1029  9498.66    444.933  9850.42    628.836  9146.01    629.624  134.777 4.3078  129.861 4.4764  4.915344       6.212512  
1 1 1 -5  46  14 o 275.370 4.9587  41145.20   1478.96  42696.08   2093.66  39600.53   2089.46  280.258 6.8973  269.869 7.1484  10.38834       9.933426  
1 1 1 -5  46  15 o 402.989 6.8955  88319.80   3009.73  88533.88   4256.79  88105.80   4256.02  402.628 9.7613  401.646 9.7834  0.9822388      13.82020  
1 1 1 -5  46  16 o 187.641 3.7549  19094.38   763.117  18727.15   1081.51  19458.50   1076.93  185.691 5.3773  189.295 5.2526  -3.603668      7.517055  
1 1 1 -5  46  17 o 134.060 3.1674  9744.45    459.909  10146.48   661.895  9369.15    639.503  136.717 4.4699  131.374 4.4943  5.343048       6.338673  
1 1 1 -5  46  18 o 103.915 2.9947  5855.50    337.056  6038.78    485.494  5684.97    468.309  105.458 4.2504  102.324 4.2256  3.134415       5.993463  
1 1 1 -5  46  19 o 183.157 3.6596  18213.36   725.984  18276.73   1453.44  18192.30   838.010  182.774 7.3420  182.973 4.2286  -0.1987457     8.472627  
1 1 1 -5  46  20 o 127.715 3.1602  8855.21    437.147  8425.77    898.110  8988.54    500.428  123.865 6.7195  128.626 3.5920  -4.761208      7.619364  
1 1 1 -5  46  21 o 111.364 2.9761  6735.71    358.977  6139.54    718.098  6934.33    414.484  105.610 6.3066  112.946 3.3882  -7.335678      7.159141  
1 1 1 -5  46  22 o 147.224 5.0223  11859.09   800.844  11731.60   1058.68  12029.61   1224.44  145.850 6.7017  147.076 7.7134  -1.225143      10.21809  
1 1 1 -5  46  23 o 128.365 4.5815  9014.59    636.977  8201.07    897.744  9839.36    903.931  121.499 6.8499  133.528 6.2502  -12.02851      9.272845  
1 1 1 -5  46  24 o 47.691  4.1902  1253.92    214.247  1275.47    459.513  1247.93    242.182  46.569  9.4335  47.451  4.7771  -0.8820877     10.57411  
1 1 1 -5  46  25 o 97.056  2.9605  5132.71    311.212  4890.59    682.914  5196.17    349.627  93.304  6.8045  97.580  3.3081  -4.276108      7.566039  
1 1 1 -5  46  26 o 85.336  2.8321  3971.00    261.761  4151.08    406.963  3843.94    341.862  86.853  4.3261  83.738  3.7693  3.114571       5.737846  
1 1 1 -5  46  27 o 18.158  7.1334  120.743    205.173  180.967    423.341  102.254    234.562  24.335  10.002  18.583  7.5168  5.751879       12.51132  
1 1 1 -5  46  28 o 37.479  5.7224  806.265    224.928  97.794     471.690  1014.78    255.896  23.947  10.240  42.116  5.7608  -18.16879      11.74926  
1 1 1 -5  46  29 o 45.278  4.9342  1164.89    238.057  699.342    498.026  1302.76    271.024  32.817  11.425  47.727  5.3341  -14.91016      12.60924  
1 1 1 -5  46  30 o 39.598  5.6664  924.961    236.092  946.252    494.873  918.687    268.634  35.976  11.357  38.913  6.6103  -2.936878      13.14045  
1 1 1 -5  46  31 o 15.773  7.0437  -33.6358   245.445  0.0000     0.0000   -33.6358   245.445  ?       ?       15.773  7.0437  0.000000       7.043738  
1 1 1 -5  46  32 o 43.314  8.0064  1238.54    361.776  0.0000     0.0000   1238.54    361.776  ?       ?       43.314  8.0064  0.000000       8.006372  
1 1 1 -5  46  33 o 33.137  11.524  960.210    506.549  0.0000     0.0000   960.210    506.549  ?       ?       33.137  11.524  0.000000       11.52356  
1 1 1 -5  47  1  o 166.377 3.3159  14997.52   597.538  15190.39   845.821  14805.36   844.275  167.407 4.6648  165.270 4.7165  2.136841       6.633695  
1 1 1 -5  47  2  o 144.318 3.1155  11283.71   486.985  11067.42   687.762  11501.20   689.644  142.898 4.4437  145.674 4.3709  -2.775391      6.233067  
1 1 1 -5  47  3  o 245.373 4.5503  32634.12   1209.32  31452.59   1710.57  33814.71   1709.90  240.777 6.5593  249.671 6.3231  -8.893616      9.110751  
1 1 1 -5  47  4  o 444.097 7.4868  107066.10  3601.18  101659.60  5092.38  112474.60  5093.29  432.155 10.880  454.673 10.343  -22.51834      15.01110  
1 1 1 -5  47  5  o 458.024 7.5406  113901.80  3740.78  109902.50  5290.18  117901.20  5290.33  449.292 10.871  465.439 10.494  -16.14676      15.10989  
1 1 1 -5  47  6  o 245.065 4.4467  32554.40   1180.28  32975.14   1669.95  32134.45   1668.39  246.531 6.2540  243.363 6.3296  3.168365       8.898103  
1 1 1 -5  47  7  o 44.234  4.4504  1071.38    210.324  1144.05    293.453  994.625    301.599  45.516  6.1066  42.276  6.8187  3.240097       9.153458  
1 1 1 -5  47  8  o 128.962 4.3041  9015.56    601.192  8838.85    850.021  9192.44    850.408  127.626 6.1492  130.158 6.0323  -2.532722      8.614058  
1 1 1 -5  47  9  o 299.317 7.4616  48672.68   2418.99  46582.33   3419.56  50766.45   3422.37  292.311 10.801  305.239 10.352  -12.92816      14.96053  
1 1 1 -5  47  10 o 176.267 5.0745  16852.51   968.793  17266.13   1366.87  16434.98   1373.31  178.284 7.0785  173.924 7.2902  4.360168       10.16136  
1 1 1 -5  47  11 o 243.840 4.4931  32241.92   1186.65  32614.21   1678.08  31869.55   1678.28  245.087 6.3215  242.265 6.3959  2.821533       8.992770  
1 1 1 -5  47  12 o 82.823  2.9259  3717.03    262.471  3969.86    373.329  3469.92    369.087  85.570  4.0281  79.881  4.2815  5.689369       5.878519  
1 1 1 -5  47  13 o 289.721 5.5880  45562.14   1753.48  46828.87   2311.51  43845.11   2691.17  293.485 7.2718  283.732 8.7571  9.753326       11.38271  
1 1 1 -5  47  14 o 143.513 3.3609  11164.07   522.415  11834.90   718.648  10412.31   760.760  147.708 4.4920  138.515 5.0709  9.192947       6.774361  
1 1 1 -5  47  15 o 221.010 4.1589  26494.87   995.548  27549.66   1409.78  25445.63   1406.06  225.198 5.7798  216.402 5.9989  8.796082       8.330286  
1 1 1 -5  47  16 o 235.793 4.3761  30169.70   1117.61  31528.51   1582.72  28818.35   1578.37  240.823 6.0679  230.201 6.3304  10.62199       8.768868  
1 1 1 -5  47  17 o 248.502 4.8441  33540.86   1303.81  33890.38   1729.45  33080.67   1984.46  249.520 6.3993  246.301 7.4389  3.219650       9.812629  
1 1 1 -5  47  18 o 74.713  3.1323  3027.64    253.469  2852.13    379.550  3168.93    340.535  72.274  4.8772  76.282  4.1371  -4.007980      6.395501  
1 1 1 -5  47  19 o 167.342 3.5153  15203.68   637.140  14672.22   1267.02  15383.56   737.120  163.743 7.1441  168.260 4.0447  -4.516571      8.209655  
1 1 1 -5  47  20 o 237.581 4.4132  30727.12   1135.63  29709.32   2266.57  31068.26   1312.22  231.705 9.0316  238.696 5.0756  -6.991409      10.36007  
1 1 1 -5  47  21 o 49.533  5.0763  1354.26    268.499  1258.47    375.737  1454.22    383.820  47.172  7.6133  50.897  7.1605  -3.725098      10.45155  
1 1 1 -5  47  22 o 74.492  4.3057  3038.73    345.917  2826.15    485.822  3257.33    492.651  71.362  6.3520  76.752  5.9733  -5.390839      8.719362  
1 1 1 -5  47  23 o 50.228  4.0384  1386.19    217.841  1426.92    451.826  1373.86    248.649  49.737  8.7043  49.884  4.6559  -0.1466064     9.871262  
1 1 1 -5  47  24 o 42.202  4.5748  987.821    205.761  1064.08    440.207  966.503    232.752  42.327  9.7961  41.575  5.2885  0.7514496      11.13246  
1 1 1 -5  47  25 o 47.581  4.4038  1253.58    224.377  1725.82    469.420  1113.74    255.449  54.615  8.1880  44.571  5.4018  10.04334       9.809358  
1 1 1 -5  47  26 o 11.152  5.3371  -244.8952  183.099  -95.1153   399.861  -284.6332  205.961  20.291  9.0311  11.713  5.6200  8.578570       10.63695  
1 1 1 -5  47  27 o 42.723  2.3294  997.123    107.382  953.742    117.756  1211.31    261.652  41.733  2.6184  46.327  5.3105  -4.594540      5.920895  
1 1 1 -5  47  28 o 9.6516  3.3246  46.573     42.114   382.961    445.937  43.546     42.303   27.571  10.604  9.4736  3.3281  18.09781       11.11440  
1 1 1 -5  47  29 o 17.840  7.1765  111.140    212.536  395.185    447.990  28.640     241.436  27.121  10.573  17.061  7.3116  10.05995       12.85510  
1 1 1 -5  47  30 o 40.640  5.0999  960.741    219.538  949.866    378.782  966.243    269.401  37.563  9.3476  39.980  6.4402  -2.416138      11.35136  
1 1 1 -5  47  31 o 19.927  8.6426  90.575     345.288  0.0000     0.0000   90.575     345.288  ?       ?       19.927  8.6426  0.000000       8.642613  
1 1 1 -5  47  32 o 32.173  9.3717  747.253    346.477  0.0000     0.0000   747.253    346.477  ?       ?       32.173  9.3717  0.000000       9.371654  
1 1 1 -5  47  33 o 22.525  10.308  136.580    565.050  0.0000     0.0000   136.580    565.050  ?       ?       22.525  10.308  0.000000       10.30833  
1 1 1 -5  48  1  o 177.707 3.4686  17111.02   667.628  17522.87   945.739  16701.90   942.605  179.789 4.8567  175.523 4.9582  4.265976       6.940548  
1 1 1 -5  48  2  f 141.980 3.1587  10921.58   485.746  10438.25   688.046  11401.84   685.857  138.770 4.5777  145.040 4.3659  -6.269791      6.325896  
1 1 1 -5  48  3  o 347.983 6.0407  65683.52   2276.73  63484.41   3219.50  67883.41   3220.07  341.813 8.6962  353.495 8.4103  -11.68231      12.09783  
1 1 1 -5  48  4  o 161.353 3.4033  14106.54   594.771  13668.69   839.824  14547.14   842.449  158.785 4.8833  163.812 4.7482  -5.027695      6.811123  
1 1 1 -5  48  5  o 115.516 2.9422  7229.39    368.119  6876.49    519.652  7584.89    521.552  112.636 4.2596  118.300 4.0705  -5.663963      5.891726  
1 1 1 -5  48  6  o 97.566  2.7721  5157.04    292.943  5391.34    417.422  4929.65    411.217  99.740  3.8640  95.371  3.9809  4.368423       5.547796  
1 1 1 -5  48  7  f 237.830 5.5268  30680.87   1423.68  31196.18   2257.70  30340.69   1834.35  239.536 8.7021  236.379 7.1648  3.156677       11.27214  
1 1 1 -5  48  8  o 386.507 9.3710  81297.82   3922.94  84112.88   5547.46  78481.91   5548.31  392.242 13.058  378.756 13.525  13.48679       18.79963  
1 1 1 -5  48  9  o 59.443  4.1737  1924.95    267.017  1682.39    378.397  2165.53    376.845  55.298  6.4383  62.931  5.5868  -7.632954      8.524384  
1 1 1 -5  48  10 o 125.090 4.3094  8483.80    583.858  8655.37    820.319  8307.66    831.188  126.280 5.9976  123.550 6.2314  2.729507       8.648821  
1 1 1 -5  48  11 o 427.136 10.224  99490.67   4730.05  93951.91   6687.32  105036.00  6691.28  413.461 14.933  437.509 14.121  -24.04813      20.55201  
1 1 1 -5  48  12 o 133.636 3.6082  9680.28    522.250  9614.13    639.043  9813.29    906.211  133.147 4.4313  134.428 6.2240  -1.280930      7.640298  
1 1 1 -5  48  13 o 104.818 3.0060  5954.09    341.268  6048.99    485.346  5861.28    479.951  105.614 4.2429  103.962 4.2624  1.652245       6.014144  
1 1 1 -5  48  14 o 265.898 4.8051  38364.12   1383.84  38964.63   1956.90  37763.43   1957.19  267.715 6.7488  263.539 6.8567  4.175262       9.620863  
1 1 1 -5  48  15 o 288.624 5.5328  45245.03   1729.60  47352.22   2283.09  42406.79   2649.70  294.982 7.1459  278.811 8.7744  16.17114       11.31609  
1 1 1 -5  48  16 o 69.385  3.1004  2609.97    232.999  2792.35    337.724  2444.31    321.868  71.597  4.3761  66.961  4.4636  4.636658       6.250895  
1 1 1 -5  48  17 o 285.041 5.0916  44152.48   1571.92  43873.35   2224.66  44430.81   2221.42  283.638 7.2415  285.450 7.1851  -1.811707      10.20119  
1 1 1 -5  48  18 o 306.721 5.3611  51195.02   1781.03  52466.80   2523.93  49933.61   2513.61  309.784 7.5223  302.152 7.6807  7.631836       10.75073  
1 1 1 -5  48  19 o 216.307 4.3558  25444.52   1020.49  24463.02   2589.99  25624.90   1110.30  209.233 11.472  216.992 4.7242  -7.759521      12.40709  
1 1 1 -5  48  20 o 237.455 6.2836  30882.90   1616.07  30668.58   2283.36  31098.00   2287.57  235.265 8.9608  236.934 8.9141  -1.669281      12.63949  
1 1 1 -5  48  21 o 98.267  3.8729  5258.15    412.207  5379.36    543.346  5093.79    632.701  99.072  5.0806  96.144  6.1075  2.928177       7.944459  
1 1 1 -5  48  22 o 121.380 3.0910  8012.24    406.360  7997.52    804.451  8017.28    470.848  120.361 6.1918  121.331 3.5829  -0.9697342     7.153733  
1 1 1 -5  48  23 o 38.470  4.9243  824.409    200.471  473.071    419.236  928.561    228.259  29.996  10.481  40.781  5.2925  -10.78549      11.74101  
1 1 1 -5  48  24 o ?       ?       -215.6654  25.219   -220.7932  25.368   216.225    232.814  ?       ?       21.374  7.7719  0.000000       7.771922  
1 1 1 -5  48  25 o 67.650  3.5405  2508.65    258.518  2578.31    529.269  2486.83    296.264  67.269  7.3858  67.220  4.0886  0.4922485E-01  8.441960  
1 1 1 -5  48  26 o 25.392  7.1047  376.225    203.081  3.3831     424.564  486.839    231.252  22.079  9.5799  28.739  7.3884  -6.659460      12.09802  
1 1 1 -5  48  27 o 25.690  7.4723  388.378    220.412  492.511    431.791  351.682    256.323  29.607  10.609  24.877  8.2008  4.729893       13.40874  
1 1 1 -5  48  28 o 26.742  1.7278  390.393    49.777   389.220    50.838   417.613    244.944  26.696  1.7682  26.428  7.9272  0.2686920      8.121968  
1 1 1 -5  48  29 o 3.8659  1.9128  -68.0307   29.661   -70.9265   29.862   144.562    255.867  3.8325  1.9003  19.548  7.8705  -15.71544      8.096692  
1 1 1 -5  48  30 f 19.675  1.2392  211.232    26.271   86.059     38.789   317.313    35.709   12.239  2.9588  24.113  1.3729  -11.87393      3.261803  
1 1 1 -5  48  31 o 27.145  1.8227  404.482    53.279   0.0000     0.0000   404.482    53.279   ?       ?       27.145  1.8227  0.000000       1.822709  
1 1 1 -5  48  32 o 26.317  9.3616  488.911    335.669  0.0000     0.0000   488.911    335.669  ?       ?       26.317  9.3616  0.000000       9.361608  
1 1 1 -5  48  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  49  1  o 84.098  2.6453  3831.29    240.954  3744.66    341.523  3917.16    340.004  83.128  3.7932  85.022  3.6922  -1.894577      5.293424  
1 1 1 -5  49  2  o 182.418 3.6048  18031.41   712.231  17849.91   1007.17  18212.98   1007.32  181.443 5.1250  183.281 5.0744  -1.838135      7.212129  
1 1 1 -5  49  3  o 329.496 5.6894  58882.81   2030.41  56541.53   2871.38  61224.28   2871.50  322.617 8.2174  335.751 7.8963  -13.13379      11.39631  
1 1 1 -5  49  4  o 182.497 3.5999  18047.47   711.565  18394.71   1005.33  17698.88   1007.28  184.189 5.0393  180.667 5.1476  3.522110       7.203629  
1 1 1 -5  49  5  o 68.927  2.7299  2573.85    203.806  2355.01    291.716  2782.52    284.857  65.788  4.1146  71.561  3.6877  -5.772888      5.525322  
1 1 1 -5  49  6  o 108.781 2.8014  6410.98    330.061  6095.66    466.212  6727.83    467.343  106.049 4.0589  111.416 3.8727  -5.367676      5.610054  
1 1 1 -5  49  7  o 254.521 6.5314  35164.25   1800.53  33854.59   2544.62  36477.45   2548.05  249.423 9.4193  258.948 9.0850  -9.525360      13.08664  
1 1 1 -5  49  8  o 169.456 3.4196  15561.25   627.623  15937.32   887.001  15184.16   888.187  171.436 4.7770  167.331 4.9007  4.105606       6.843697  
1 1 1 -5  49  9  o 289.404 5.8839  45453.45   1844.34  50929.81   3195.80  42718.62   2258.39  305.799 9.6488  280.387 7.4366  25.41251       12.18204  
1 1 1 -5  49  10 o 252.588 6.5241  34646.17   1784.85  34588.48   2521.43  34704.11   2526.90  252.032 9.2368  252.453 9.2414  -0.4202118     13.06604  
1 1 1 -5  49  11 o 100.591 4.1224  5486.07    449.134  5650.81    629.832  5315.64    640.651  101.874 5.7314  98.769  6.0173  3.105186       8.310048  
1 1 1 -5  49  12 o 87.976  4.0835  4196.55    389.103  3975.49    547.735  4421.76    552.850  85.362  5.9617  90.075  5.6960  -4.713005      8.245401  
1 1 1 -5  49  13 o 113.901 4.2429  7035.82    523.429  7185.77    742.719  6887.85    737.787  114.872 5.9903  112.449 6.0802  2.422470       8.535405  
1 1 1 -5  49  14 o 50.151  3.7442  1371.34    201.911  1367.59    292.085  1374.77    279.425  49.885  5.4972  50.052  5.2316  -0.1672592     7.588724  
1 1 1 -5  49  15 o 166.426 3.5334  15018.30   636.920  14971.97   903.169  15064.14   898.332  166.065 5.0214  166.579 4.9791  -0.5138702     7.071414  
1 1 1 -5  49  16 o 238.097 4.7350  30781.41   1221.07  30090.74   1621.71  31685.60   1855.54  235.162 6.3670  241.174 7.1034  -6.011978      9.539265  
1 1 1 -5  49  17 o 169.331 3.5428  15555.79   649.752  16025.69   927.024  15102.03   910.962  171.719 4.9843  166.689 5.0457  5.029388       7.092421  
1 1 1 -5  49  18 o 16.170  1.5953  143.045    27.576   378.126    264.465  140.461    27.727   26.402  8.2978  16.019  1.6204  10.38287       8.454509  
1 1 1 -5  49  19 o 59.967  4.6525  1968.96    299.817  1685.06    416.905  2273.07    431.481  55.002  7.1686  64.189  6.2869  -9.186993      9.534880  
1 1 1 -5  49  20 o 31.343  7.0574  561.040    233.819  659.532    324.862  455.177    336.799  33.873  8.7817  28.982  9.3925  4.890446       12.85836  
1 1 1 -5  49  21 o 64.480  2.4574  2256.77    171.621  2088.00    428.993  2288.93    187.258  61.256  6.5684  64.924  2.6630  -3.668358      7.087700  
1 1 1 -5  49  22 o 123.577 3.1453  8307.33    420.988  8205.07    843.588  8341.24    485.806  121.796 6.4174  123.738 3.6248  -1.942001      7.370417  
1 1 1 -5  49  23 o 58.608  3.6475  1880.99    230.390  1605.25    468.271  1969.05    264.635  52.818  8.4718  59.882  4.1050  -7.063309      9.413928  
1 1 1 -5  49  24 o 51.514  4.1538  1462.33    229.794  773.434    451.937  1702.54    266.867  36.074  10.756  55.536  4.4745  -19.46211      11.64931  
1 1 1 -5  49  25 o 59.962  3.7584  1976.14    242.855  1501.38    493.038  2128.23    279.056  50.271  9.4006  62.132  4.1709  -11.86042      10.28438  
1 1 1 -5  49  26 o 60.529  3.7866  2018.37    247.001  1701.73    503.000  2118.99    283.541  53.488  9.0021  61.889  4.2558  -8.401070      9.957422  
1 1 1 -5  49  27 o 86.549  2.9406  4095.47    275.659  3690.77    629.266  4191.57    306.648  79.921  7.3519  87.471  3.2367  -7.550423      8.032901  
1 1 1 -5  49  28 o 62.054  3.9079  2136.82    261.310  2182.19    526.521  2121.99    300.995  60.310  8.2788  61.577  4.5451  -1.267586      9.444430  
1 1 1 -5  49  29 o 6.3855  2.6695  4.3078     30.880   1.2834     31.134   187.135    242.070  6.2553  2.6514  20.081  7.7879  -13.82545      8.226871  
1 1 1 -5  49  30 o 31.414  1.8878  540.913    63.934   537.586    65.997   591.644    257.708  31.303  1.9564  30.343  7.7989  0.9598198      8.040526  
1 1 1 -5  49  31 o 20.397  8.5420  162.075    316.946  0.0000     0.0000   162.075    316.946  ?       ?       20.397  8.5420  0.000000       8.542046  
1 1 1 -5  49  32 o 18.205  8.2452  -18.7115   349.827  0.0000     0.0000   -18.7115   349.827  ?       ?       18.205  8.2452  0.000000       8.245216  
1 1 1 -5  49  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  50  1  o 52.109  2.7814  1475.22    156.411  1485.56    226.440  1465.79    216.304  52.199  4.0365  51.862  3.8788  0.3368645      5.598096  
1 1 1 -5  50  2  f 196.953 4.0703  21023.63   868.278  20367.22   1161.86  21853.92   1306.73  193.790 5.5354  200.712 6.0109  -6.922134      8.171440  
1 1 1 -5  50  3  o 450.870 7.6528  110399.30  3737.17  105791.20  5285.24  115007.10  5285.06  440.682 11.073  459.585 10.617  -18.90283      15.34081  
1 1 1 -5  50  4  o 343.876 5.9895  64153.09   2230.82  62089.36   3154.81  66216.97   3154.91  337.978 8.6182  349.071 8.3446  -11.09354      11.99601  
1 1 1 -5  50  5  o 109.101 2.8558  6448.86    337.459  6291.88    479.459  6602.98    475.051  107.741 4.1087  110.375 3.9737  -2.634575      5.715916  
1 1 1 -5  50  6  o 452.792 8.7212  111487.80  4277.09  113038.20  7408.99  110712.90  5238.04  454.082 15.064  450.741 10.729  3.341766       18.49476  
1 1 1 -5  50  7  o 466.911 9.0248  118604.90  4563.94  123191.30  5589.52  109430.70  7905.41  475.366 10.856  446.158 16.359  29.20773       19.63375  
1 1 1 -5  50  8  o 162.721 3.5816  14350.33   631.228  14024.24   853.825  14743.37   937.400  160.808 4.9022  164.862 5.2497  -4.054031      7.182677  
1 1 1 -5  50  9  o 356.397 6.1076  68948.02   2357.64  67639.61   3333.45  70257.63   3334.95  352.571 8.7292  359.361 8.5682  -6.789673      12.23166  
1 1 1 -5  50  10 o 225.059 4.2194  27462.79   1028.54  27031.11   1454.20  27894.91   1454.94  223.148 6.0167  226.694 5.9257  -3.545486      8.444789  
1 1 1 -5  50  11 o 217.475 5.8477  25674.33   1377.42  26341.70   1945.62  25003.72   1950.32  220.034 8.1639  214.344 8.4009  5.690292       11.71426  
1 1 1 -5  50  12 o 147.799 4.6900  11849.52   750.782  11521.50   1068.49  12169.43   1055.17  145.608 6.7751  149.666 6.5092  -4.058060      9.395284  
1 1 1 -5  50  13 o 245.912 6.4097  32860.84   1707.22  33244.67   2419.49  32480.24   2409.31  246.928 9.0465  244.061 9.1143  2.867844       12.84174  
1 1 1 -5  50  14 o 181.517 5.2051  17887.75   1023.33  17887.54   1449.50  17887.97   1444.93  181.287 7.3821  181.292 7.3586  -0.5035400E-02 10.42329  
1 1 1 -5  50  15 o 81.202  3.0239  3574.28    265.955  3721.70    379.742  3432.37    372.593  82.712  4.2533  79.414  4.3483  3.297234       6.082604  
1 1 1 -5  50  16 f 135.876 3.2191  10011.27   473.753  9866.35    671.998  10154.46   667.995  134.799 4.6027  136.760 4.5097  -1.961243      6.443742  
1 1 1 -5  50  17 o 116.717 3.2174  7389.26    406.739  7851.51    595.731  6985.62    556.683  120.214 4.5753  113.395 4.5326  6.818962       6.440329  
1 1 1 -5  50  18 o 213.263 5.7994  24795.46   1339.59  26045.64   1893.33  23542.25   1895.61  217.912 8.0219  207.030 8.4537  10.88167       11.65395  
1 1 1 -5  50  19 f 263.268 6.8069  37980.02   1940.97  37873.88   2743.24  38086.43   2746.67  261.331 9.6917  262.073 9.6764  -0.7420349     13.69534  
1 1 1 -5  50  20 o 117.363 4.2999  7504.82    546.593  7562.04    770.114  7446.72    775.917  117.304 6.0823  116.376 6.1779  0.9272995      8.669504  
1 1 1 -5  50  21 o 96.656  2.9592  5077.21    309.800  4794.10    610.836  5175.26    359.461  93.208  6.0840  97.530  3.4029  -4.322327      6.971001  
1 1 1 -5  50  22 f 147.675 3.3139  11871.67   530.043  12796.20   1073.87  11573.89   609.455  152.190 6.5147  145.675 3.8627  6.514679       7.573754  
1 1 1 -5  50  23 o 70.125  3.4170  2680.95    259.531  2933.89    517.504  2595.96    299.982  72.399  6.6747  68.797  4.0436  3.601929       7.803957  
1 1 1 -5  50  24 o 86.702  3.2814  4100.39    308.148  4111.09    606.043  4096.65    357.859  85.662  6.5823  86.553  3.8173  -0.8910522     7.609129  
1 1 1 -5  50  25 o 47.840  4.3420  1268.34    222.530  799.297    453.730  1416.89    255.350  36.282  10.768  50.483  4.7250  -14.20057      11.75889  
1 1 1 -5  50  26 o 48.916  4.3278  1329.18    226.922  874.498    464.145  1472.00    260.130  37.504  10.825  51.375  4.7279  -13.87077      11.81206  
1 1 1 -5  50  27 o 52.038  4.2324  1505.26    236.481  1485.02    486.298  1511.53    270.636  49.327  9.4462  51.933  4.8682  -2.606266      10.62684  
1 1 1 -5  50  28 o 61.960  3.9726  2134.59    265.194  1620.04    527.584  2308.55    306.765  50.577  9.9853  64.242  4.4359  -13.66494      10.92626  
1 1 1 -5  50  29 o 32.269  1.7919  569.340    62.382   469.579    457.030  571.234    62.971   27.857  10.730  32.320  1.8061  -4.462681      10.88066  
1 1 1 -5  50  30 o 32.639  1.9531  584.330    68.725   499.454    470.759  586.179    69.470   27.775  10.836  32.686  1.9715  -4.911320      11.01368  
1 1 1 -5  50  31 o 24.490  9.1477  382.868    326.219  0.0000     0.0000   382.868    326.219  ?       ?       24.490  9.1477  0.000000       9.147741  
1 1 1 -5  50  32 o 21.162  8.7408  226.552    325.398  0.0000     0.0000   226.552    325.398  ?       ?       21.162  8.7408  0.000000       8.740761  
1 1 1 -5  50  33 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  51  1  o 276.060 5.3181  41328.76   1590.12  43576.07   2438.27  39665.68   2097.53  283.223 7.9485  270.295 7.1647  12.92770       10.70102  
1 1 1 -5  51  2  o 127.114 3.0069  8754.37    413.985  8752.32    587.777  8756.38    583.178  127.070 4.2707  127.101 4.2363  -0.3038788E-01 6.015375  
1 1 1 -5  51  3  o 242.957 4.3623  31997.68   1147.93  31989.13   1623.60  32006.22   1623.23  242.806 6.1737  242.871 6.1707  -0.6507874E-01 8.728851  
1 1 1 -5  51  4  o 363.120 6.2090  71551.59   2441.97  68911.23   3453.14  74192.98   3453.80  355.969 8.9564  369.414 8.6320  -13.44504      12.43900  
1 1 1 -5  51  5  o 104.643 2.8085  5932.57    318.311  5815.67    449.269  6050.40    451.055  103.584 4.0045  105.655 3.9416  -2.071106      5.618886  
1 1 1 -5  51  6  o 100.505 3.2147  5473.49    349.942  5324.52    600.254  5550.19    430.709  98.909  5.6264  101.192 3.9298  -2.282753      6.862871  
1 1 1 -5  51  7  o 167.927 4.0463  15286.21   735.952  14732.02   901.749  16391.66   1273.59  164.811 5.0516  173.743 6.7679  -8.932205      8.445287  
1 1 1 -5  51  8  o 296.046 5.1479  47540.25   1650.66  48607.63   2335.05  46474.09   2333.72  299.118 7.2075  292.459 7.3674  6.659058       10.30660  
1 1 1 -5  51  9  o 248.320 4.5370  33437.75   1220.25  32932.42   1724.95  33943.96   1726.43  246.269 6.4669  250.032 6.3750  -3.762985      9.080844  
1 1 1 -5  51  10 o 290.946 5.1643  45924.93   1627.39  46079.95   2301.76  45769.99   2301.20  291.174 7.2985  290.190 7.3215  0.9842529      10.33797  
1 1 1 -5  51  11 o 431.929 7.3337  101422.30  3430.87  103338.10  4851.65  99506.03   4852.31  435.181 10.293  426.974 10.492  8.207916       14.69832  
1 1 1 -5  51  12 o 211.781 4.6858  24330.80   1074.84  25454.92   1860.31  23767.49   1316.89  216.272 7.9417  209.219 5.8114  7.053146       9.840882  
1 1 1 -5  51  13 o 330.026 8.1415  59324.34   2910.21  61297.62   4118.99  57357.42   4112.33  334.560 11.367  323.510 11.736  11.05005       16.33857  
1 1 1 -5  51  14 o 343.668 8.4709  64399.24   3153.11  63194.65   4460.01  65602.92   4458.34  339.227 12.139  345.721 11.906  -6.494202      17.00327  
1 1 1 -5  51  15 f 47.671  5.8275  1253.58    294.624  1460.68    467.594  1117.23    379.412  51.011  8.7799  44.570  8.1603  6.440899       11.98656  
1 1 1 -5  51  16 o 223.301 6.0491  27135.55   1463.01  26408.43   2078.24  27849.90   2059.91  219.710 8.7332  225.706 8.4263  -5.995239      12.13554  
1 1 1 -5  51  17 o 116.776 3.1687  7397.35    400.785  8026.27    575.315  6804.35    558.644  121.547 4.3701  111.893 4.6096  9.653999       6.351839  
1 1 1 -5  51  18 o 171.463 5.0832  16009.79   944.006  16917.12   1333.29  15097.72   1336.77  175.820 7.0014  165.986 7.4356  9.833969       10.21313  
1 1 1 -5  51  19 o 185.898 5.3311  18862.25   1073.41  20035.43   1519.02  17692.11   1517.04  190.923 7.3457  179.237 7.8145  11.68581       10.72499  
1 1 1 -5  51  20 o 38.459  4.2624  815.757    174.564  1082.99    338.072  718.604    203.841  43.734  7.4010  35.855  5.4180  7.879730       9.172215  
1 1 1 -5  51  21 f 17.566  6.4120  138.848    158.687  113.851    291.625  149.363    189.140  20.777  8.3894  18.709  6.9700  2.067533       10.90703  
1 1 1 -5  51  22 o 46.650  4.1517  1197.75    207.577  698.759    428.834  1350.44    237.220  34.737  10.505  49.495  4.4734  -14.75883      11.41736  
1 1 1 -5  51  23 o 45.784  2.1039  1138.16    104.332  912.357    428.987  1152.35    107.561  39.164  10.060  46.066  2.1558  -6.901287      10.28837  
1 1 1 -5  51  24 o 47.749  2.2275  1239.04    115.199  784.299    443.818  1271.89    119.288  36.190  10.625  48.374  2.2767  -12.18418      10.86651  
1 1 1 -5  51  25 o 40.977  2.0825  915.020    92.124   1345.38    438.848  895.181    94.224   47.664  8.8257  40.520  2.1547  7.143295       9.084950  
1 1 1 -5  51  26 o 55.502  2.0038  1674.99    120.458  1533.25    182.412  1784.60    160.408  52.842  3.2023  57.212  2.5886  -4.369755      4.117715  
1 1 1 -5  51  27 o 60.891  2.6162  2024.01    172.540  2488.76    515.843  1965.46    183.086  65.386  7.4150  59.966  2.8189  5.420055       7.932730  
1 1 1 -5  51  28 o 50.077  4.6067  1413.10    247.057  1270.58    491.032  1461.41    285.877  44.155  10.433  50.625  5.2919  -6.469650      11.69828  
1 1 1 -5  51  29 o 45.361  5.0399  1187.77    243.428  1503.98    492.089  1085.32    280.100  47.351  9.9129  42.655  6.2481  4.696323       11.71768  
1 1 1 -5  51  30 o 18.932  7.7372  138.853    251.569  0.0000     0.0000   138.853    251.569  ?       ?       18.932  7.7372  0.000000       7.737185  
1 1 1 -5  51  31 o 22.869  9.2748  286.035    358.124  0.0000     0.0000   286.035    358.124  ?       ?       22.869  9.2748  0.000000       9.274827  
1 1 1 -5  51  32 o 30.048  9.3322  662.749    335.631  0.0000     0.0000   662.749    335.631  ?       ?       30.048  9.3322  0.000000       9.332205  
1 1 1 -5  52  1  o 311.595 5.5249  52663.91   1864.61  51863.76   2638.16  53462.59   2635.75  308.965 7.8835  313.707 7.7573  -4.742310      11.06008  
1 1 1 -5  52  2  o 351.177 6.0600  66916.02   2305.01  66357.27   3260.31  67474.39   3259.23  349.364 8.6161  352.304 8.5414  -2.940277      12.13228  
1 1 1 -5  52  3  o 269.072 4.8193  39256.87   1404.50  39405.24   1986.74  39108.64   1985.80  269.414 6.8085  268.396 6.8311  1.018066       9.644631  
1 1 1 -5  52  4  o 189.835 3.7351  19530.81   767.985  19304.81   1086.43  19756.54   1085.77  188.660 5.3168  190.857 5.2524  -2.198059      7.473689  
1 1 1 -5  52  5  o 189.029 3.7355  19365.90   764.792  19093.24   1081.68  19638.47   1081.48  187.619 5.3230  190.283 5.2474  -2.664215      7.474586  
1 1 1 -5  52  6  o 175.512 4.9835  16706.33   947.352  15480.52   1335.73  17947.02   1343.82  168.810 7.3055  181.797 6.8247  -12.98727      9.997379  
1 1 1 -5  52  7  o 140.177 3.1553  10647.71   479.062  10877.07   680.468  10422.30   674.564  141.638 4.4357  138.643 4.4922  2.994659       6.313053  
1 1 1 -5  52  8  o 268.728 4.8283  39165.36   1405.33  40768.84   1988.50  37565.26   1986.39  273.988 6.7007  262.973 6.9740  11.01587       9.671456  
1 1 1 -5  52  9  o 122.577 3.0315  8141.80    402.474  8421.27    575.275  7873.86    563.282  124.626 4.2618  120.506 4.3157  4.120430       6.065339  
1 1 1 -5  52  10 o 281.644 4.9990  43032.16   1524.93  42612.81   2155.80  43452.12   2157.35  280.020 7.1080  282.773 7.0439  -2.753082      10.00703  
1 1 1 -5  52  11 o 267.480 4.7711  38811.23   1382.23  36756.30   1952.47  40875.88   1957.08  260.058 6.9318  274.292 6.5876  -14.23383      9.562701  
1 1 1 -5  52  12 o 229.348 4.4489  28531.87   1105.13  28631.35   1468.56  28401.99   1678.11  229.606 5.9052  228.582 6.7781  1.024399       8.989686  
1 1 1 -5  52  13 o 96.283  2.9557  5024.36    308.234  4539.43    430.720  5533.38    441.290  91.477  4.3472  101.008 4.0336  -9.531456      5.930311  
1 1 1 -5  52  14 f 142.489 4.6535  11019.28   718.170  11276.23   1032.64  10778.58   999.459  143.979 6.6219  140.773 6.5551  3.206696       9.317616  
1 1 1 -5  52  15 o 203.514 5.6423  22514.59   1243.72  23660.41   1781.30  21424.68   1737.30  208.254 7.8972  198.134 8.0955  10.12024       11.30943  
1 1 1 -5  52  16 o 89.525  4.7298  4366.40    456.998  4821.15    718.826  4057.91    592.051  93.744  7.1331  86.076  6.3962  7.668106       9.580875  
1 1 1 -5  52  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  52  18 o 101.843 5.9923  5682.70    658.072  5682.70    658.072  0.0000     0.0000   101.843 5.9923  ?       ?       0.000000       5.992254  
1 1 1 -5  52  19 o 151.001 3.4116  12390.70   557.969  12040.54   798.978  12724.04   779.555  148.568 4.9652  152.782 4.7109  -4.213882      6.844439  
1 1 1 -5  52  20 o 19.067  6.6066  180.828    166.427  -21.0782   355.993  237.298    188.267  20.472  8.8273  21.236  7.0296  -0.7636528     11.28439  
1 1 1 -5  52  21 o 53.690  3.5998  1576.77    208.125  2074.25    438.143  1431.81    236.512  60.942  6.7513  51.036  4.3192  9.906010       8.014733  
1 1 1 -5  52  22 o 22.703  7.0264  286.229    190.454  -201.5164  385.116  444.134    219.125  18.982  8.6182  27.753  7.2208  -8.771048      11.24337  
1 1 1 -5  52  23 o 73.916  3.3311  2978.80    266.682  3325.11    535.713  2864.71    307.489  77.129  6.4726  72.285  3.9424  4.843834       7.578728  
1 1 1 -5  52  24 o 56.627  4.0060  1765.37    244.113  1762.27    474.777  1766.49    284.616  55.201  8.1892  56.475  4.6956  -1.273335      9.439917  
1 1 1 -5  52  25 o 58.346  4.0179  1878.01    252.363  1833.18    491.484  1894.06    294.094  55.999  8.3592  58.404  4.6886  -2.404926      9.584309  
1 1 1 -5  52  26 o 54.986  4.0172  1673.09    237.592  1903.09    484.834  1600.41    272.564  56.936  8.0896  53.545  4.7491  3.390732       9.380540  
1 1 1 -5  52  27 f 51.102  4.3130  1456.00    236.488  1604.18    485.739  1409.96    270.742  51.348  9.0653  50.011  5.0683  1.337376       10.38591  
1 1 1 -5  52  28 o 20.128  7.5922  196.449    225.804  537.442    437.286  72.467     263.678  29.541  10.665  18.472  7.7664  11.06910       13.19330  
1 1 1 -5  52  29 o 47.642  5.0571  1311.54    256.965  1169.00    498.682  1363.07    299.836  40.393  11.070  48.065  5.8823  -7.671902      12.53566  
1 1 1 -5  52  30 o 20.731  2.5080  239.757    55.169   0.0000     0.0000   239.757    55.169   ?       ?       20.731  2.5080  0.000000       2.508048  
1 1 1 -5  52  31 o 33.871  9.3876  815.969    356.324  0.0000     0.0000   815.969    356.324  ?       ?       33.871  9.3876  0.000000       9.387616  
1 1 1 -5  52  32 o 33.753  11.541  971.555    507.242  0.0000     0.0000   971.555    507.242  ?       ?       33.753  11.541  0.000000       11.54147  
1 1 1 -5  53  1  o 244.848 4.4838  32501.55   1189.10  31932.10   1682.87  33069.34   1680.40  242.556 6.4057  246.848 6.2851  -4.291611      8.974187  
1 1 1 -5  53  2  f 228.111 4.5046  28210.59   1112.94  27100.72   1692.42  29056.26   1477.30  223.405 6.9943  231.414 5.8940  -8.008911      9.146539  
1 1 1 -5  53  3  o 132.851 3.0051  9562.83    432.415  9722.27    611.174  9403.03    611.880  133.922 4.2135  131.702 4.2895  2.219406       6.012740  
1 1 1 -5  53  4  o 113.000 2.8990  6918.34    354.807  6525.02    502.037  7310.84    501.509  109.712 4.2249  116.136 3.9869  -6.425026      5.809062  
1 1 1 -5  53  5  o 246.495 5.2448  32957.17   1400.26  29737.57   2424.23  34569.14   1715.35  233.710 9.5769  252.364 6.2756  -18.65376      11.44991  
1 1 1 -5  53  6  o 132.349 3.5592  9493.18    510.211  9000.60    625.058  10476.63   883.202  128.841 4.4791  138.945 5.8688  -10.10399      7.382750  
1 1 1 -5  53  7  o 86.524  2.7553  4056.17    258.208  4191.26    366.267  3922.71    364.064  87.933  3.8457  85.067  3.9513  2.865913       5.513844  
1 1 1 -5  53  8  o 289.443 5.4805  45457.89   1718.11  46465.34   2266.19  44096.04   2634.82  292.433 7.1548  284.679 8.5452  7.753601       11.14508  
1 1 1 -5  53  9  o 117.257 2.9928  7450.43    380.089  7411.25    540.448  7488.78    534.654  116.912 4.2680  117.524 4.2003  -0.6122284     5.988167  
1 1 1 -5  53  10 o 163.739 3.4342  14531.51   609.044  14813.64   860.383  14248.15   862.257  165.254 4.8070  162.063 4.9123  3.190811       6.872934  
1 1 1 -5  53  11 o 335.235 5.8367  61021.61   2119.26  60838.44   2996.13  61205.01   2998.04  334.287 8.2750  335.297 8.2554  -1.009766      11.68881  
1 1 1 -5  53  12 o 216.198 4.1103  25349.67   962.497  25148.85   1358.91  25551.84   1363.46  215.182 5.8306  216.902 5.8037  -1.720139      8.226731  
1 1 1 -5  53  13 o 335.566 5.8544  61176.03   2127.81  60420.93   3008.99  61931.32   3009.35  332.943 8.3441  337.105 8.2421  -4.162170      11.72844  
1 1 1 -5  53  14 o 177.084 3.6288  17006.63   696.012  16986.95   985.459  17026.21   983.164  176.855 5.1446  177.061 5.1266  -0.2059937     7.262879  
1 1 1 -5  53  15 o 50.361  4.8065  1389.99    258.996  1905.39    501.384  1202.41    302.477  58.526  8.1291  46.612  6.1408  11.91376       10.18783  
1 1 1 -5  53  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  53  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  53  18 o 171.301 5.1515  15997.46   955.789  16890.51   1396.52  15210.54   1310.92  175.415 7.3504  166.488 7.2698  8.927658       10.33820  
1 1 1 -5  53  19 o 180.545 5.2605  17808.59   1028.69  18729.38   1481.18  16950.64   1429.75  184.358 7.4178  175.340 7.5285  9.018112       10.56891  
1 1 1 -5  53  20 o 41.167  4.2180  933.518    185.416  1010.10    376.471  908.992    213.046  41.880  8.5878  40.484  4.9627  1.396183       9.918626  
1 1 1 -5  53  21 o 130.513 3.1782  9266.64    449.267  9844.04    908.017  9079.47    516.981  133.643 6.2730  129.085 3.6977  4.558167       7.281746  
1 1 1 -5  53  22 o 44.420  4.4321  1090.37    210.390  754.025    475.638  1172.19    234.587  35.958  11.100  46.000  4.7781  -10.04267      12.08460  
1 1 1 -5  53  23 o 63.859  2.7390  2218.92    189.445  1902.60    248.786  2655.48    292.269  58.860  3.9250  69.587  3.8934  -10.72676      5.528483  
1 1 1 -5  53  24 o 63.996  2.7902  2230.99    193.402  2775.82    518.941  2143.11    208.417  70.028  6.9330  62.684  3.0698  7.343166       7.582222  
1 1 1 -5  53  25 o 51.157  2.4434  1424.89    135.385  1645.61    471.319  1405.04    141.341  52.890  8.5168  50.720  2.5814  2.170017       8.899405  
1 1 1 -5  53  26 o 28.781  1.9556  452.449    60.599   604.395    435.065  449.443    61.196   31.839  10.690  28.681  1.9821  3.157492       10.87201  
1 1 1 -5  53  27 o 59.935  2.6730  1963.35    173.522  1789.19    216.220  2278.47    290.843  56.920  3.5245  64.002  4.2193  -7.082344      5.497686  
1 1 1 -5  53  28 o 60.292  4.0466  2034.26    262.720  1908.32    527.641  2075.77    302.943  54.942  9.1913  60.596  4.6513  -5.653816      10.30121  
1 1 1 -5  53  29 o 36.780  6.1648  811.604    236.896  282.660    477.826  983.987    272.780  24.975  10.475  40.394  6.4519  -15.41939      12.30270  
1 1 1 -5  53  30 o 34.429  9.2378  813.667    351.640  0.0000     0.0000   813.667    351.640  ?       ?       34.429  9.2378  0.000000       9.237820  
1 1 1 -5  53  31 o 41.219  8.4847  1144.17    366.166  0.0000     0.0000   1144.17    366.166  ?       ?       41.219  8.4847  0.000000       8.484700  
1 1 1 -5  53  32 o 48.041  11.216  1817.11    573.010  0.0000     0.0000   1817.11    573.010  ?       ?       48.041  11.216  0.000000       11.21620  
1 1 1 -5  54  1  o 325.178 5.6641  57367.12   1994.91  56696.92   2822.41  58036.20   2820.05  322.974 8.0683  326.781 7.9676  -3.807098      11.33933  
1 1 1 -5  54  2  o 134.694 2.9515  9829.93    430.580  9828.61    611.476  9831.23    606.420  134.651 4.1928  134.670 4.1575  -0.1910400E-01 5.904574  
1 1 1 -5  54  3  o 12.608  5.0609  39.200     105.449  56.587     135.996  12.986     166.983  14.482  5.7699  14.705  6.1814  -0.2235260     8.455866  
1 1 1 -5  54  4  o 77.420  2.7674  3247.40    232.057  3200.92    334.034  3290.77    322.618  76.739  4.0330  77.919  3.8227  -1.180550      5.556874  
1 1 1 -5  54  5  o 86.639  3.2049  4067.56    300.743  3910.50    507.517  4152.56    373.355  84.716  5.5620  87.526  3.9384  -2.809792      6.815187  
1 1 1 -5  54  6  o 275.116 5.6678  41070.43   1688.90  40135.70   2067.47  42945.34   2928.10  271.824 7.0223  280.805 9.6274  -8.980621      11.91639  
1 1 1 -5  54  7  o 178.478 3.5877  17264.91   693.537  17217.11   983.081  17312.27   978.555  178.156 5.0947  178.650 5.0572  -0.4938049     7.178545  
1 1 1 -5  54  8  o 306.154 5.3933  50857.97   1788.40  50317.13   2529.56  51398.48   2528.78  304.221 7.6769  307.486 7.5931  -3.264618      10.79765  
1 1 1 -5  54  9  o 171.316 3.5177  15907.71   652.714  16280.21   923.187  15535.38   922.968  173.239 4.9201  169.223 5.0357  4.016022       7.040267  
1 1 1 -5  54  10 o 87.721  2.8916  4169.79    274.728  4143.98    392.610  4194.54    384.563  87.420  4.1465  87.955  4.0368  -0.5345993     5.786987  
1 1 1 -5  54  11 o 158.762 3.4159  13662.84   587.381  13427.52   832.259  13896.39   829.116  157.311 4.8846  160.040 4.7832  -2.729355      6.836536  
1 1 1 -5  54  12 o 122.394 3.0985  8119.53    410.753  8066.40    580.488  8172.81    581.298  121.941 4.3952  122.743 4.3725  -0.8027573     6.199691  
1 1 1 -5  54  13 o 202.046 3.9115  22141.13   855.973  21132.06   1207.97  23158.77   1213.10  197.226 5.6549  206.493 5.4240  -9.267258      7.835669  
1 1 1 -5  54  14 o 166.008 3.6292  14946.85   652.534  14987.95   891.808  14899.50   957.316  166.127 4.9563  165.599 5.3374  0.5279999      7.283722  
1 1 1 -5  54  15 o 284.661 7.2061  44195.86   2221.76  43491.55   3138.27  44903.56   3145.84  281.348 10.299  285.935 10.158  -4.586395      14.46517  
1 1 1 -5  54  16 o 166.668 4.9802  15107.13   899.023  15255.44   1266.76  14956.62   1276.11  167.141 6.9975  165.472 7.1202  1.669342       9.983084  
1 1 1 -5  54  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -5  54  18 o 47.855  6.2408  1273.84    315.774  1340.67    520.317  1234.87    397.307  48.201  10.280  46.687  8.1539  1.514519       13.12125  
1 1 1 -5  54  19 o 198.596 5.5698  21583.29   1198.07  22554.23   1716.83  20661.63   1672.69  201.983 7.8477  193.249 7.9915  8.733093       11.20045  
1 1 1 -5  54  20 o 81.723  4.2740  3653.10    376.997  0.0000     0.0000   3653.10    376.997  ?       ?       81.723  4.2740  0.000000       4.274030  
1 1 1 -5  54  21 o 35.425  6.6913  715.478    247.326  0.0000     0.0000   715.478    247.326  ?       ?       35.425  6.6913  0.000000       6.691252  
1 1 1 -5  54  22 f 149.409 3.3494  12165.21   542.015  13628.83   1098.73  11694.48   623.110  156.809 6.4692  146.317 3.9319  10.49155       7.570366  
1 1 1 -5  54  23 o 99.575  3.2167  5406.18    346.924  5244.71    715.871  5455.74    396.609  96.692  6.8805  99.929  3.6644  -3.237679      7.795421  
1 1 1 -5  54  24 o 108.424 3.2347  6419.25    379.868  6766.99    785.332  6313.04    434.020  109.701 6.6409  107.377 3.7319  2.323128       7.617620  
1 1 1 -5  54  25 o 87.173  2.9251  4148.34    276.184  4229.46    428.823  4090.85    361.033  87.419  4.5446  86.312  3.8620  1.107681       5.963929  
1 1 1 -5  54  26 o 53.776  4.1127  1603.25    237.729  1605.30    492.274  1602.63    271.484  51.602  9.1425  53.568  4.7277  -1.965687      10.29251  
1 1 1 -5  54  27 o 31.382  6.5030  582.021    213.776  487.432    449.321  609.696    243.047  29.217  10.771  31.882  7.2077  -2.664227      12.95977  
1 1 1 -5  54  28 o 21.366  7.5126  257.045    215.575  477.289    445.353  189.648    246.361  28.127  10.650  20.226  7.8532  7.901047       13.23206  
1 1 1 -5  54  29 o 55.080  4.3859  1725.40    259.479  1823.48    524.159  1693.56    298.640  52.323  9.6031  54.078  5.1614  -1.754902      10.90221  
1 1 1 -5  54  30 o 42.220  8.2163  1160.91    362.202  0.0000     0.0000   1160.91    362.202  ?       ?       42.220  8.2163  0.000000       8.216280  
1 1 1 -5  54  31 o 16.522  7.6662  -137.1398  328.231  0.0000     0.0000   -137.1398  328.231  ?       ?       16.522  7.6662  0.000000       7.666224  
1 1 1 -5  54  32 o 38.266  13.047  1388.26    648.184  0.0000     0.0000   1388.26    648.184  ?       ?       38.266  13.047  0.000000       13.04694  
1 1 1 -5  55  1  o 157.498 3.4168  13442.61   582.865  13405.52   864.512  13473.51   789.217  157.217 5.0769  157.635 4.6225  -0.4182281     6.866045  
1 1 1 -5  55  2  o 215.116 4.0722  25084.36   948.796  25341.19   1342.36  24827.95   1341.24  216.112 5.7348  213.908 5.7891  2.203537       8.148725  
1 1 1 -5  55  3  o 262.658 4.7768  37411.45   1358.92  36750.05   1922.32  38072.13   1921.28  260.144 6.8225  264.795 6.6990  -4.650970      9.561530  
1 1 1 -5  55  4  o 297.749 6.0471  48116.41   1950.16  50840.97   3379.88  46756.67   2387.71  305.444 10.216  293.337 7.5153  12.10645       12.68287  
1 1 1 -5  55  5  o 168.032 4.9203  15313.35   895.473  15835.57   1262.98  14785.47   1269.82  170.756 6.8289  164.978 7.1064  5.778275       9.855680  
1 1 1 -5  55  6  o 50.885  3.6081  1410.44    197.567  1296.29    243.156  1632.20    338.915  48.668  4.6702  54.532  5.8284  -5.863503      7.468634  
1 1 1 -5  55  7  o 181.643 3.6442  17883.56   716.952  17957.69   1016.55  17810.19   1011.32  181.939 5.1586  181.191 5.1532  0.7483673      7.291574  
1 1 1 -5  55  8  o 113.006 2.9144  6919.80    356.713  6874.04    503.763  6965.82    505.177  112.599 4.1307  113.349 4.1149  -0.7496185     5.830506  
1 1 1 -5  55  9  o 410.037 6.9795  91372.08   3099.68  91055.02   4383.37  91689.21   4383.84  408.598 9.9047  410.028 9.8712  -1.430206      13.98370  
1 1 1 -5  55  10 o 373.734 6.3825  75882.84   2583.61  75625.95   3653.91  76139.70   3653.64  372.503 9.0564  373.775 9.0250  -1.271362      12.78550  
1 1 1 -5  55  11 o 165.264 3.4614  14806.04   619.589  15049.00   875.370  14562.12   877.095  166.532 4.8531  163.810 4.9435  2.722260       6.927577  
1 1 1 -5  55  12 o 93.928  2.7758  4781.19    282.394  4565.22    418.034  4962.47    382.993  91.740  4.2071  95.666  3.6963  -3.925903      5.600206  
1 1 1 -5  55  13 o 257.616 4.6977  36024.77   1310.79  35862.53   1858.06  36185.51   1849.43  256.729 6.6821  257.893 6.6211  -1.164551      9.406874  
1 1 1 -5  55  14 o 117.672 4.3198  7515.89    550.564  7618.19    768.256  7407.88    789.404  118.191 6.0213  116.508 6.2789  1.682899       8.699463  
1 1 1 -5  55  15 o 255.139 6.6138  35482.27   1827.67  35571.88   2580.74  35392.11   2588.72  254.637 9.3574  253.974 9.4108  0.6629333      13.27114  
1 1 1 -5  55  16 o 125.012 4.4116  8494.19    597.334  9018.91    828.499  7926.15    862.012  128.625 5.9470  120.305 6.6412  8.319885       8.914702  
1 1 1 -5  55  17 o 180.183 3.7276  17639.06   727.466  17897.29   1037.07  17388.91   1020.71  181.202 5.2841  178.612 5.2762  2.590363       7.467296  
1 1 1 -5  55  18 o 151.424 3.3767  12458.93   553.806  12738.30   790.526  12189.68   776.075  152.858 4.7748  149.526 4.7920  3.331497       6.764785  
1 1 1 -5  55  19 o 16.953  7.5374  -96.3496   277.830  284.345    580.484  -209.4704  316.427  29.776  11.902  16.842  7.7099  12.93342       14.18084  
1 1 1 -5  55  20 o 38.719  6.1526  843.987    249.389  0.0000     0.0000   843.987    249.389  ?       ?       38.719  6.1526  0.000000       6.152610  
1 1 1 -5  55  21 o 29.986  7.4115  519.472    239.332  0.0000     0.0000   519.472    239.332  ?       ?       29.986  7.4115  0.000000       7.411524  
1 1 1 -5  55  22 o 82.411  4.4636  3730.90    396.934  0.0000     0.0000   3730.90    396.934  ?       ?       82.411  4.4636  0.000000       4.463614  
1 1 1 -5  55  23 o 58.758  5.2107  1918.65    328.172  0.0000     0.0000   1918.65    328.172  ?       ?       58.758  5.2107  0.000000       5.210657  
1 1 1 -5  55  24 o 32.635  6.3759  614.750    217.290  764.807    482.392  576.553    243.379  35.611  11.209  31.359  7.3019  4.252409       13.37761  
1 1 1 -5  55  25 o 17.273  7.0039  81.947     204.168  499.166    466.488  -16.9111   227.072  30.251  11.001  16.127  7.0016  14.12451       13.04018  
1 1 1 -5  55  26 o 78.948  3.5528  3423.00    303.796  3018.32    641.432  3540.03    344.937  71.482  8.4482  80.146  3.9736  -8.664223      9.336082  
1 1 1 -5  55  27 o 67.984  3.8920  2566.09    285.389  2303.66    604.071  2641.49    323.805  60.919  9.4622  68.760  4.3706  -7.840885      10.42278  
1 1 1 -5  55  28 o 27.849  7.5805  485.560    234.782  739.168    515.623  419.226    263.705  32.560  11.601  25.902  8.3023  6.657164       14.26539  
1 1 1 -5  55  29 o 18.880  7.4308  161.159    223.018  417.546    457.720  81.346     255.382  26.583  10.587  18.039  7.6168  8.544064       13.04242  
1 1 1 -5  55  30 o 28.393  9.4929  559.138    343.082  0.0000     0.0000   559.138    343.082  ?       ?       28.393  9.4929  0.000000       9.492939  
1 1 1 -5  55  31 o 23.253  9.4331  315.192    370.557  0.0000     0.0000   315.192    370.557  ?       ?       23.253  9.4331  0.000000       9.433084  
1 1 1 -5  55  32 o 23.909  10.357  306.733    494.611  0.0000     0.0000   306.733    494.611  ?       ?       23.909  10.357  0.000000       10.35695  
1 1 1 -5  56  1  o 282.750 5.0355  43361.32   1542.11  43811.23   2182.78  42912.98   2178.97  284.002 7.0961  281.069 7.1576  2.933807       10.07898  
1 1 1 -5  56  2  o 144.271 3.1752  11278.72   496.150  10679.91   701.409  11878.40   701.916  140.342 4.6144  148.016 4.3783  -7.674576      6.360983  
1 1 1 -5  56  3  o 193.854 3.7753  20368.81   792.672  20113.65   1121.39  20623.63   1120.62  192.551 5.3770  194.981 5.3064  -2.430237      7.554459  
1 1 1 -5  56  4  o 266.824 5.5989  38630.39   1618.08  35204.38   2802.80  40343.03   1981.66  254.151 10.182  272.559 6.7127  -18.40796      12.19560  
1 1 1 -5  56  5  o 215.823 4.7244  25260.94   1104.36  25321.18   1351.52  25139.89   1915.77  216.005 5.7768  214.998 8.2270  1.007339       10.05260  
1 1 1 -5  56  6  o 30.535  4.1074  514.590    132.398  584.825    186.568  443.336    187.919  32.381  5.5174  28.022  6.3398  4.359118       8.404479  
1 1 1 -5  56  7  o 363.121 6.6829  71621.61   2628.38  74272.80   3451.62  67962.37   4055.05  369.414 8.6266  352.923 10.608  16.49051       13.67314  
1 1 1 -5  56  8  o 427.135 7.2537  99171.78   3355.79  100398.10  4746.31  97945.96   4745.31  428.985 10.215  423.675 10.341  5.309814       14.53564  
1 1 1 -5  56  9  o 366.968 6.3101  73147.99   2508.04  75205.40   3547.81  71092.70   3545.99  371.562 8.8157  361.199 9.0640  10.36276       12.64411  
1 1 1 -5  56  10 o 126.434 3.0888  8663.76    422.978  8738.59    589.835  8584.53    606.893  126.932 4.2903  125.801 4.4541  1.131302       6.184295  
1 1 1 -5  56  11 o 216.181 4.3413  25350.84   1016.51  25274.38   1353.07  25449.89   1540.16  215.716 5.7912  216.372 6.5719  -0.6562653     8.759466  
1 1 1 -5  56  12 o 122.857 3.0895  8181.77    411.114  8301.84    588.402  8067.24    574.646  123.695 4.3919  121.937 4.3510  1.758133       6.182253  
1 1 1 -5  56  13 o 163.169 4.0121  14444.44   709.052  14278.78   870.340  14771.40   1222.70  162.153 4.9556  164.719 6.8534  -2.566208      8.457348  
1 1 1 -5  56  14 f 233.549 6.1420  29687.67   1553.66  28451.82   2192.51  30934.17   2201.94  228.016 8.8778  237.845 8.5476  -9.829254      12.32381  
1 1 1 -5  56  15 o 192.370 5.3953  20136.08   1124.14  19897.44   1583.93  20378.27   1595.68  190.768 7.6659  193.067 7.6307  -2.299652      10.81637  
1 1 1 -5  56  16 o 141.266 3.3136  10831.29   506.994  11258.18   725.230  10423.24   709.040  143.867 4.6542  138.419 4.7294  5.447449       6.635405  
1 1 1 -5  56  17 o 127.021 3.1946  8760.29    439.504  8727.00    625.465  8792.76    617.712  126.609 4.5611  127.096 4.4873  -0.4869156     6.398380  
1 1 1 -5  56  18 o 69.619  3.3542  2634.13    252.918  2426.05    378.664  2801.72    339.839  66.430  5.3071  71.575  4.4051  -5.144913      6.897149  
1 1 1 -5  56  19 o 141.530 3.2985  10892.12   505.641  11528.92   724.711  10288.08   705.831  145.328 4.6041  137.250 4.7481  8.077805       6.613765  
1 1 1 -5  56  20 o 116.936 3.5542  7446.02    450.149  7541.62    772.469  7396.85    553.923  116.904 6.1220  116.381 4.3944  0.5229645      7.535896  
1 1 1 -5  56  21 o 48.648  5.2090  1313.96    270.196  0.0000     0.0000   1313.96    270.196  ?       ?       48.648  5.2090  0.000000       5.208951  
1 1 1 -5  56  22 o 32.248  8.2491  608.005    289.285  0.0000     0.0000   608.005    289.285  ?       ?       32.248  8.2491  0.000000       8.249147  
1 1 1 -5  56  23 o 60.820  5.4806  2061.69    357.152  0.0000     0.0000   2061.69    357.152  ?       ?       60.820  5.4806  0.000000       5.480618  
1 1 1 -5  56  24 o 87.444  4.5374  4223.88    428.271  0.0000     0.0000   4223.88    428.271  ?       ?       87.444  4.5374  0.000000       4.537446  
1 1 1 -5  56  25 o 36.528  7.5501  787.739    288.836  0.0000     0.0000   787.739    288.836  ?       ?       36.528  7.5501  0.000000       7.550092  
1 1 1 -5  56  26 o 52.561  5.1870  1556.97    291.436  0.0000     0.0000   1556.97    291.436  ?       ?       52.561  5.1870  0.000000       5.186960  
1 1 1 -5  56  27 o 46.416  5.0165  1225.51    248.182  942.779    545.615  1299.27    278.681  37.132  11.946  47.578  5.5099  -10.44601      13.15585  
1 1 1 -5  56  28 o 28.327  1.6993  438.756    51.896   440.860    52.933   386.655    263.410  28.390  1.7297  24.990  8.3170  3.399744       8.494963  
1 1 1 -5  56  29 o 23.968  8.1285  357.285    251.579  -90.6549   529.166  488.100    285.964  21.566  9.9084  27.317  8.6340  -5.750591      13.14240  
1 1 1 -5  56  30 o 46.991  7.5249  1404.45    370.065  0.0000     0.0000   1404.45    370.065  ?       ?       46.991  7.5249  0.000000       7.524912  
1 1 1 -5  56  31 o 22.470  9.0802  288.016    341.912  0.0000     0.0000   288.016    341.912  ?       ?       22.470  9.0802  0.000000       9.080172  
1 1 1 -5  57  1  o 215.123 4.1004  25087.87   955.395  25266.58   1353.59  24910.44   1348.69  215.777 5.7918  214.250 5.8119  1.527679       8.205072  
1 1 1 -5  57  2  o 70.275  2.6901  2675.73    204.762  2653.92    288.935  2697.73    290.224  69.867  3.8328  70.445  3.8180  -0.5770798     5.409977  
1 1 1 -5  57  3  o 177.431 3.9527  17065.69   759.606  16596.66   1073.67  17535.72   1074.82  174.886 5.6682  179.775 5.5200  -4.888870      7.911943  
1 1 1 -5  57  4  o 159.578 4.7795  13810.75   826.094  14130.99   1165.45  13487.40   1171.11  161.307 6.6707  157.578 6.8617  3.729050       9.569835  
1 1 1 -5  57  5  f 206.842 4.5546  23200.88   1020.38  23522.98   1249.80  22556.96   1767.06  208.206 5.5422  203.665 8.0106  4.541031       9.740918  
1 1 1 -5  57  6  o 281.662 5.0116  43035.04   1528.88  43778.44   2162.38  42291.96   2161.93  283.854 7.0334  278.977 7.1549  4.876678       10.03303  
1 1 1 -5  57  7  o 122.370 3.0134  8114.56    399.388  8276.17    570.023  7958.71    559.758  123.543 4.2599  121.150 4.2659  2.392776       6.028645  
1 1 1 -5  57  8  o 152.629 3.4425  12626.91   569.089  12832.27   775.690  12387.54   837.483  153.809 4.6562  151.096 5.1175  2.713974       6.918735  
1 1 1 -5  57  9  o 161.036 3.4098  14056.88   594.728  13684.36   841.384  14428.86   840.762  158.811 4.8915  163.082 4.7599  -4.271072      6.825226  
1 1 1 -5  57  10 o 366.181 6.3137  72862.23   2504.08  73026.61   3541.80  72697.94   3540.80  365.974 8.9352  365.145 8.9530  0.8293762      12.64884  
1 1 1 -5  57  11 f 246.509 4.5491  32971.56   1214.58  32640.63   1719.11  33301.39   1716.24  245.028 6.4777  247.507 6.4021  -2.478790      9.107506  
1 1 1 -5  57  12 o 227.751 4.2696  28144.42   1053.23  27936.32   1489.34  28352.60   1489.64  226.686 6.0659  228.375 6.0223  -1.689011      8.547726  
1 1 1 -5  57  13 o 80.589  4.2410  3534.56    368.881  3624.71    510.205  3435.83    533.959  81.439  5.8226  79.218  6.2745  2.220787       8.559941  
1 1 1 -5  57  14 o 139.861 4.5557  10625.23   690.117  10523.14   967.849  10730.83   984.306  138.980 6.4296  140.339 6.4756  -1.358826      9.125415  
1 1 1 -5  57  15 o 189.465 3.8284  19491.32   785.635  19397.71   1112.84  19584.33   1109.28  188.757 5.4433  189.671 5.3997  -0.9138031     7.667215  
1 1 1 -5  57  16 o 63.930  3.3533  2224.92    231.384  2186.34    327.361  2263.45    327.093  63.196  4.8190  64.320  4.7284  -1.123856      6.751309  
1 1 1 -5  57  17 o 111.541 3.1316  6755.86    378.335  6462.68    545.734  7027.15    524.963  108.921 4.6259  113.628 4.2655  -4.706932      6.292355  
1 1 1 -5  57  18 o 105.716 3.1204  6072.09    357.294  6178.39    515.099  5973.52    496.021  106.456 4.4673  104.691 4.3744  1.765579       6.252412  
1 1 1 -5  57  19 o 66.118  3.4319  2384.71    244.924  2468.65    369.259  2318.77    327.279  66.982  5.1288  64.992  4.6806  1.989426       6.943573  
1 1 1 -5  57  20 o 81.095  2.9991  3576.12    263.425  3154.51    524.768  3718.16    304.581  75.334  6.4949  82.641  3.4028  -7.307030      7.332308  
1 1 1 -5  57  21 o 36.734  5.3199  756.506    205.498  917.833    433.475  709.737    233.392  39.364  10.113  35.318  6.3339  4.045612       11.93292  
1 1 1 -5  57  22 f 96.877  3.2383  5115.97    339.789  5196.01    681.160  5089.45    392.052  96.455  6.5590  96.518  3.7503  -0.6286621E-01 7.555497  
1 1 1 -5  57  23 o 145.874 4.7889  11722.00   756.628  0.0000     0.0000   11722.00   756.628  ?       ?       145.874 4.7889  0.000000       4.788873  
1 1 1 -5  57  24 o 64.566  5.0351  2320.96    349.333  0.0000     0.0000   2320.96    349.333  ?       ?       64.566  5.0351  0.000000       5.035109  
1 1 1 -5  57  25 f 19.232  7.9184  89.917     265.940  0.0000     0.0000   89.917     265.940  ?       ?       19.232  7.9184  0.000000       7.918392  
1 1 1 -5  57  26 o 49.469  5.9130  1399.60    310.540  0.0000     0.0000   1399.60    310.540  ?       ?       49.469  5.9130  0.000000       5.912988  
1 1 1 -5  57  27 o 35.262  7.8011  766.244    290.053  0.0000     0.0000   766.244    290.053  ?       ?       35.262  7.8011  0.000000       7.801112  
1 1 1 -5  57  28 o 53.521  5.9394  1684.79    338.493  0.0000     0.0000   1684.79    338.493  ?       ?       53.521  5.9394  0.000000       5.939436  
1 1 1 -5  57  29 o 47.592  6.2051  1359.29    312.246  0.0000     0.0000   1359.29    312.246  ?       ?       47.592  6.2051  0.000000       6.205086  
1 1 1 -5  57  30 o 31.825  9.4429  717.372    348.973  0.0000     0.0000   717.372    348.973  ?       ?       31.825  9.4429  0.000000       9.442926  
1 1 1 -5  57  31 o 45.694  7.9037  1375.73    377.011  0.0000     0.0000   1375.73    377.011  ?       ?       45.694  7.9037  0.000000       7.903682  
1 1 1 -5  58  1  o 134.937 3.1084  9866.55    454.287  10033.80   646.816  9703.73    638.189  136.034 4.3900  133.778 4.4045  2.256699       6.218635  
1 1 1 -5  58  2  o 53.729  2.1880  1563.86    127.328  1486.97    151.958  1745.09    233.288  52.319  2.6907  56.611  3.8272  -4.291813      4.678428  
1 1 1 -5  58  3  o 73.219  3.2429  2905.21    257.172  2600.43    441.122  3062.14    316.528  68.960  5.9647  75.057  3.9071  -6.097107      7.130423  
1 1 1 -5  58  4  f 307.761 7.6577  51490.19   2552.60  50306.66   3608.36  52675.77   3611.49  303.595 10.974  310.714 10.731  -7.119232      15.34862  
1 1 1 -5  58  5  o 111.954 2.9007  6791.46    351.734  7313.73    497.992  6271.54    496.865  116.151 3.9585  107.548 4.2655  8.602600       5.819263  
1 1 1 -5  58  6  o 298.751 5.2595  48428.02   1701.88  46732.59   2407.42  50121.77   2406.22  293.171 7.5816  303.658 7.3161  -10.48642      10.53592  
1 1 1 -5  58  7  o 281.394 5.0141  42960.32   1528.18  40726.27   2161.07  45194.81   2161.28  273.699 7.2900  288.379 6.9195  -14.67993      10.05103  
1 1 1 -5  58  8  o 38.189  4.0880  799.850    166.464  791.133    256.100  806.226    219.049  37.624  6.5208  38.156  5.4557  -0.5321884     8.502056  
1 1 1 -5  58  9  o 321.312 5.6173  56057.11   1954.91  56963.21   2766.71  55153.68   2762.61  323.486 7.8966  318.282 8.0138  5.204041       11.25061  
1 1 1 -5  58  10 o 130.096 3.1806  9174.02    448.170  8982.54    629.714  9370.56    637.983  128.673 4.5184  131.424 4.4819  -2.751663      6.364250  
1 1 1 -5  58  11 o 114.402 3.0849  7094.45    382.242  7412.52    536.292  6766.02    544.954  116.889 4.2360  111.662 4.5059  5.226822       6.184431  
1 1 1 -5  58  12 o 141.840 4.6221  10921.47   710.081  10653.28   1009.99  11183.60   998.521  139.906 6.6652  143.371 6.4302  -3.464706      9.261319  
1 1 1 -5  58  13 o 134.059 4.4586  9758.23    647.391  9324.87    909.818  10202.68   921.390  130.864 6.4189  136.909 6.2136  -6.044418      8.933721  
1 1 1 -5  58  14 o 138.049 3.2635  10338.26   487.963  10374.98   692.358  10302.02   687.833  138.176 4.6262  137.691 4.6122  0.4852753      6.532567  
1 1 1 -5  58  15 o 253.093 4.6489  34836.77   1274.38  34492.13   1806.78  35177.97   1797.76  251.288 6.6384  253.806 6.5397  -2.518051      9.318596  
1 1 1 -5  58  16 o 188.148 3.7899  19237.31   772.318  18796.36   1093.23  19676.64   1091.22  185.639 5.4372  189.969 5.3035  -4.330002      7.595361  
1 1 1 -5  58  17 f 132.587 3.2715  9550.55    469.809  9591.32    655.732  9507.54    673.443  132.671 4.5633  132.064 4.7081  0.6070099      6.556701  
1 1 1 -5  58  18 o 192.999 3.8203  20276.26   798.593  20465.25   1139.27  20093.70   1119.75  193.386 5.4392  191.638 5.3947  1.747345       7.660756  
1 1 1 -5  58  19 o 3.0605  1.5374  -67.8746   22.531   275.221    251.223  -70.6567   22.622   23.362  8.1158  3.0241  1.5219  20.33783       8.257282  
1 1 1 -5  58  20 o 96.128  3.4789  5033.60    362.214  5226.37    619.408  4933.42    446.518  97.249  5.9086  95.013  4.3390  2.236404       7.330603  
1 1 1 -5  58  21 o 112.200 3.1591  6855.44    383.902  7214.80    778.209  6739.86    441.343  113.992 6.3279  111.143 3.6663  2.849129       7.313273  
1 1 1 -5  58  22 o ?       ?       -168.5914  33.645   400.875    415.824  -172.3441  33.756   28.385  10.377  ?       ?       0.000000       10.37673  
1 1 1 -5  58  23 o 31.926  6.3777  588.078    212.822  987.126    446.320  470.644    242.120  40.334  10.208  28.350  7.6902  11.98326       12.78036  
1 1 1 -5  58  24 o 69.512  3.6144  2654.99    271.184  2423.24    556.857  2727.04    310.490  64.543  8.1471  70.309  4.0949  -5.766045      9.118364  
1 1 1 -5  58  25 o 71.120  4.8797  2819.07    373.608  0.0000     0.0000   2819.07    373.608  ?       ?       71.120  4.8797  0.000000       4.879666  
1 1 1 -5  58  26 o 54.389  5.5991  1683.69    325.121  0.0000     0.0000   1683.69    325.121  ?       ?       54.389  5.5991  0.000000       5.599073  
1 1 1 -5  58  27 o 38.517  7.3620  904.873    295.931  0.0000     0.0000   904.873    295.931  ?       ?       38.517  7.3620  0.000000       7.362041  
1 1 1 -5  58  28 o 21.826  8.3401  250.460    274.716  0.0000     0.0000   250.460    274.716  ?       ?       21.826  8.3401  0.000000       8.340116  
1 1 1 -5  58  29 o 22.683  8.8982  277.620    318.808  0.0000     0.0000   277.620    318.808  ?       ?       22.683  8.8982  0.000000       8.898170  
1 1 1 -5  58  30 o 15.893  7.4515  -196.5938  323.459  0.0000     0.0000   -196.5938  323.459  ?       ?       15.893  7.4515  0.000000       7.451468  
1 1 1 -5  58  31 o 52.199  7.0683  1727.91    389.342  0.0000     0.0000   1727.91    389.342  ?       ?       52.199  7.0683  0.000000       7.068286  
1 1 1 -5  59  1  f 133.949 3.0868  9722.75    447.839  9857.52    638.136  9591.97    628.649  134.833 4.3697  133.004 4.3639  1.828308       6.175550  
1 1 1 -5  59  2  o 395.712 6.7956  85056.07   2912.59  84206.84   4120.53  85904.05   4117.53  393.125 9.6772  397.093 9.5736  -3.967682      13.61259  
1 1 1 -5  59  3  o 246.592 5.2454  32990.70   1400.96  30868.33   2428.56  34049.23   1715.10  238.047 9.4192  250.414 6.3236  -12.36708      11.34503  
1 1 1 -5  59  4  o 180.031 4.1877  17573.15   816.569  18256.67   999.297  16199.58   1416.58  183.450 5.0293  172.618 7.5768  10.83199       9.094050  
1 1 1 -5  59  5  o 211.108 4.0011  24162.24   914.862  24427.74   1296.17  23898.67   1291.46  212.148 5.6410  209.834 5.6825  2.313431       8.006919  
1 1 1 -5  59  6  o 221.596 4.1726  26626.53   1001.46  26900.14   1416.10  26352.79   1416.45  222.592 5.8737  220.310 5.9361  2.282135       8.350886  
1 1 1 -5  59  7  o 505.722 8.4695  139269.80  4639.18  144683.00  6561.43  133858.70  6560.15  514.137 11.783  494.318 12.253  19.81888       16.99905  
1 1 1 -5  59  8  o 325.398 5.6895  57493.08   2005.20  57765.92   2835.93  57220.30   2835.63  325.742 8.0381  324.192 8.0756  1.549988       11.39414  
1 1 1 -5  59  9  f 308.446 5.3220  51648.39   1777.96  48833.80   2512.61  54471.06   2516.22  299.516 7.7452  316.414 7.3421  -16.89819      10.67219  
1 1 1 -5  59  10 o 236.332 4.3632  30302.14   1116.87  30226.76   1580.37  30377.36   1578.60  235.821 6.1874  236.411 6.1650  -0.5898438     8.734489  
1 1 1 -5  59  11 o 232.270 6.1311  29333.33   1542.43  28835.10   2180.44  29832.37   2182.21  229.813 8.7599  233.784 8.6181  -3.970734      12.28851  
1 1 1 -5  59  12 o 143.725 4.5886  11215.65   714.302  10947.21   1006.14  11488.43   1014.26  141.806 6.5508  145.281 6.4457  -3.475143      9.190209  
1 1 1 -5  59  13 o 25.119  1.3368  342.744    36.238   84.714     255.227  348.053    36.609   19.339  7.8345  25.313  1.3401  -5.973648      7.948326  
1 1 1 -5  59  14 o 229.398 4.5906  28604.25   1140.60  29004.02   1516.03  28082.79   1731.45  230.677 6.0678  226.729 7.0507  3.948715       9.302220  
1 1 1 -5  59  15 o 153.705 3.5180  12828.13   585.674  12758.85   802.172  12907.21   857.091  153.110 4.8372  153.949 5.1402  -0.8382416     7.058338  
1 1 1 -5  59  16 o 79.770  3.0908  3454.65    267.042  3211.16    378.155  3696.85    377.155  76.658  4.5754  82.319  4.2445  -5.660896      6.240989  
1 1 1 -5  59  17 o 80.590  3.1550  3528.38    275.391  3569.96    401.002  3491.25    378.865  80.791  4.6016  79.928  4.3932  0.8634872      6.362050  
1 1 1 -5  59  18 o 21.086  1.8394  242.919    41.589   278.603    250.939  241.911    42.172   23.468  8.1136  21.039  1.8702  2.429235       8.326325  
1 1 1 -5  59  19 f 24.033  6.6742  328.293    179.919  312.666    270.438  340.703    240.988  24.597  8.4272  24.928  7.9311  -0.3312931     11.57236  
1 1 1 -5  59  20 o 58.868  2.7493  1883.94    175.298  2314.19    493.410  1821.78    187.532  64.151  7.2271  57.790  3.0065  6.360920       7.827546  
1 1 1 -5  59  21 o 33.648  5.8106  641.927    204.107  717.449    434.515  620.545    231.202  34.996  10.572  32.858  6.7231  2.138165       12.52853  
1 1 1 -5  59  22 o 19.887  7.2336  186.292    201.702  204.790    418.922  180.710    230.133  25.046  10.075  20.409  7.6715  4.636477       12.66365  
1 1 1 -5  59  23 o 49.714  4.4116  1369.58    235.077  1217.52    483.692  1416.61    268.980  44.796  10.198  50.409  4.9921  -5.613590      11.35433  
1 1 1 -5  59  24 o 87.177  3.3202  4158.57    313.497  5045.37    642.049  3880.96    359.230  94.577  6.3039  84.039  3.9466  10.53841       7.437382  
1 1 1 -5  59  25 o 49.973  1.7545  1356.98    94.964   1354.29    139.503  1359.30    129.636  49.757  2.5976  49.943  2.3965  -0.1856003     3.534222  
1 1 1 -5  59  26 o 71.944  2.7454  2833.41    213.928  2456.57    583.868  2891.85    229.916  63.583  8.7070  72.630  2.9227  -9.047665      9.184444  
1 1 1 -5  59  27 o 23.685  7.9031  336.955    237.786  -39.5439   468.684  467.459    275.938  21.433  9.6400  27.225  8.4628  -5.791557      12.82766  
1 1 1 -5  59  28 o 54.413  5.7675  1737.40    334.725  0.0000     0.0000   1737.40    334.725  ?       ?       54.413  5.7675  0.000000       5.767486  
1 1 1 -5  59  29 o 19.745  8.5074  93.791     330.161  0.0000     0.0000   93.791     330.161  ?       ?       19.745  8.5074  0.000000       8.507426  
1 1 1 -5  59  30 o 22.825  8.9709  304.056    324.622  0.0000     0.0000   304.056    324.622  ?       ?       22.825  8.9709  0.000000       8.970943  
1 1 1 -5  59  31 o 21.160  9.0122  187.432    362.737  0.0000     0.0000   187.432    362.737  ?       ?       21.160  9.0122  0.000000       9.012186  
1 1 1 -5  60  1  o 295.837 5.2155  47483.79   1671.18  47954.84   2364.76  47013.83   2362.04  297.031 7.3505  294.093 7.4154  2.938232       10.44111  
1 1 1 -5  60  2  f 173.751 4.1892  16368.64   788.372  15574.09   1371.56  16760.68   963.433  169.260 7.4816  175.771 5.0606  -6.511108      9.032370  
1 1 1 -5  60  3  o 60.201  4.2330  1974.81    274.257  1862.42    383.906  2091.95    391.936  58.241  6.1803  61.795  5.9287  -3.553448      8.564182  
1 1 1 -5  60  4  o 119.466 3.4384  7735.65    444.904  7760.33    542.491  7684.94    777.532  119.633 4.1867  118.815 6.0621  0.8172684      7.367328  
1 1 1 -5  60  5  o 222.702 4.1764  26893.42   1007.39  27147.26   1425.27  26640.01   1424.05  223.609 5.8849  221.505 5.9357  2.103790       8.358461  
1 1 1 -5  60  6  f 366.852 6.3314  73107.65   2515.70  73644.23   3558.71  72571.65   3556.76  367.634 8.9373  364.931 8.9986  2.702332       12.68266  
1 1 1 -5  60  7  o 16.015  6.0846  97.040     145.693  127.207    209.605  68.840     202.654  18.892  7.2692  17.311  6.9923  1.581295       10.08631  
1 1 1 -5  60  8  o 181.245 3.6716  17810.13   720.766  17741.23   1020.20  17878.80   1018.44  180.790 5.2100  181.492 5.1809  -0.7018890     7.347550  
1 1 1 -5  60  9  o 319.055 5.6186  55288.81   1941.60  54628.87   2744.73  55949.82   2746.94  316.671 8.0024  320.497 7.9132  -3.826691      11.25426  
1 1 1 -5  60  10 o 180.744 5.2006  17740.49   1018.09  17575.50   1447.22  17902.13   1432.49  179.643 7.4380  181.324 7.2940  -1.681107      10.41757  
1 1 1 -5  60  11 o 58.168  4.6202  1848.35    288.686  1789.25    403.223  1910.50    413.498  56.952  6.6627  58.886  6.5966  -1.933567      9.375874  
1 1 1 -5  60  12 o 139.842 4.5980  10620.37   696.424  10139.92   991.357  11088.50   978.552  136.425 6.7091  142.710 6.3308  -6.285370      9.224499  
1 1 1 -5  60  13 o 116.814 3.0662  7400.81    387.939  7550.28    550.006  7252.82    547.260  117.901 4.3070  115.550 4.3727  2.351097       6.137694  
1 1 1 -5  60  14 o 69.640  3.2858  2631.82    247.840  2406.42    361.813  2831.08    340.184  66.304  5.0768  72.038  4.3807  -5.734184      6.705544  
1 1 1 -5  60  15 o 244.753 4.4988  32595.17   1192.59  32537.52   1691.20  32652.20   1682.00  243.946 6.4007  244.393 6.3543  -0.4464111     9.019225  
1 1 1 -5  60  16 o 69.685  3.2478  2637.71    245.132  2608.26    355.879  2664.30    338.139  69.010  4.7909  69.797  4.4968  -0.7866974     6.570723  
1 1 1 -5  60  17 o 115.255 3.0887  7216.96    385.577  7371.12    552.361  7070.45    538.482  116.290 4.3854  113.897 4.3650  2.393112       6.187509  
1 1 1 -5  60  18 o 40.537  4.5273  907.818    195.380  771.852    287.884  1023.92    266.026  36.721  7.4919  42.811  5.8934  -6.089912      9.532059  
1 1 1 -5  60  19 o 116.807 3.0528  7420.00    386.217  7562.79    559.164  7289.73    534.085  117.663 4.3876  115.546 4.2676  2.116783       6.120775  
1 1 1 -5  60  20 o 83.051  3.2397  3755.93    291.426  4184.79    442.975  3428.67    386.957  87.279  4.7033  79.017  4.5405  8.262093       6.537396  
1 1 1 -5  60  21 o 69.945  3.4350  2668.42    260.225  2974.21    537.835  2574.96    297.347  72.762  6.9074  68.503  4.0253  4.258659       7.994634  
1 1 1 -5  60  22 o 41.043  5.0820  942.495    221.088  979.327    452.283  930.931    253.430  40.262  10.323  40.552  5.9466  -0.2906036     11.91317  
1 1 1 -5  60  23 o 39.129  5.4065  864.169    223.012  1273.27    458.127  737.120    255.302  46.071  9.4967  35.656  6.8598  10.41500       11.71513  
1 1 1 -5  60  24 f 82.933  3.3923  3766.03    304.714  4791.43    622.873  3443.42    349.376  92.137  6.2790  79.002  4.0971  13.13502       7.497506  
1 1 1 -5  60  25 o 67.193  3.7471  2492.35    271.621  2019.89    561.219  2636.88    310.396  57.730  9.2907  68.964  4.1752  -11.23392      10.18573  
1 1 1 -5  60  26 o 21.837  7.4956  267.401    213.981  533.385    462.592  194.995    241.355  29.790  10.936  20.465  7.8180  9.324404       13.44346  
1 1 1 -5  60  27 o 23.693  7.5416  341.957    217.882  145.761    469.509  395.804    245.971  23.443  10.123  25.262  8.0100  -1.819386      12.90860  
1 1 1 -5  60  28 o 18.735  7.3582  157.920    218.256  182.110    478.496  151.565    245.255  23.689  10.224  19.171  7.7102  4.517851       12.80544  
1 1 1 -5  60  29 o 38.796  7.9045  972.222    320.874  0.0000     0.0000   972.222    320.874  ?       ?       38.796  7.9045  0.000000       7.904547  
1 1 1 -5  60  30 o 23.642  8.9265  353.969    312.339  0.0000     0.0000   353.969    312.339  ?       ?       23.642  8.9265  0.000000       8.926469  
1 1 1 -5  61  1  o 327.366 5.7233  58172.63   2029.31  58016.45   2870.97  58328.57   2868.77  326.542 8.1174  327.425 8.0894  -0.8824768     11.45996  
1 1 1 -5  61  2  o 202.457 4.4076  22228.60   966.516  23918.61   1681.35  21394.52   1181.18  209.747 7.4010  198.546 5.4927  11.20078       9.216548  
1 1 1 -5  61  3  o 224.157 4.8516  27257.67   1177.90  26444.24   1441.53  28892.02   2043.31  220.684 6.0309  230.414 8.1876  -9.730637      10.16898  
1 1 1 -5  61  4  o 249.649 4.5623  33804.71   1233.64  33095.50   1744.86  34513.52   1744.38  246.815 6.5271  252.064 6.3894  -5.248840      9.133853  
1 1 1 -5  61  5  o 84.167  2.8583  3838.89    260.569  3749.37    374.865  3922.57    362.450  83.045  4.1810  85.056  3.9344  -2.010239      5.741090  
1 1 1 -5  61  6  o 406.633 6.9225  89890.62   3048.84  89481.64   4311.38  90299.72   4312.04  404.918 9.8306  406.778 9.7871  -1.860565      13.87184  
1 1 1 -5  61  7  o 323.411 5.6503  56795.23   1979.24  57750.75   2800.08  55841.10   2798.05  325.697 7.9375  320.239 8.0670  5.457855       11.31727  
1 1 1 -5  61  8  o 182.512 3.7040  18062.00   732.199  17596.34   1038.71  18521.90   1032.29  180.025 5.3271  184.714 5.1598  -4.688614      7.416309  
1 1 1 -5  61  9  o 276.801 7.0796  41699.55   2122.50  39924.14   3005.92  43464.93   2997.42  270.106 10.275  281.957 9.8151  -11.85107      14.20942  
1 1 1 -5  61  10 o 197.806 5.4771  21259.47   1173.45  20301.69   1659.39  22217.52   1659.62  192.950 7.9403  201.909 7.5890  -8.959183      10.98365  
1 1 1 -5  61  11 o 217.379 5.8479  25700.39   1376.86  25485.69   1946.93  25915.20   1947.41  215.996 8.3221  217.824 8.2543  -1.827759      11.72143  
1 1 1 -5  61  12 o 186.793 3.7366  18934.37   755.968  20013.16   1073.00  17871.12   1065.24  191.862 5.1635  181.267 5.4257  10.59500       7.489996  
1 1 1 -5  61  13 o 77.476  2.6721  3254.79    224.227  3257.23    368.609  3253.36    282.507  77.296  4.4213  77.430  3.3686  -0.1348419     5.558332  
1 1 1 -5  61  14 o 78.698  2.7067  3359.24    230.713  3462.64    376.548  3297.08    291.927  79.682  4.3799  77.929  3.4586  1.753082       5.580811  
1 1 1 -5  61  15 o 53.806  2.2197  1569.79    129.357  1361.96    295.148  1619.20    143.916  49.646  5.5860  54.639  2.4318  -4.993347      6.092361  
1 1 1 -5  61  16 o 155.817 3.4023  13194.92   574.199  12925.44   814.075  13461.72   810.019  153.929 4.8829  157.118 4.7599  -3.189224      6.819013  
1 1 1 -5  61  17 o 95.117  3.1334  4916.72    322.812  5062.98    475.288  4791.47    439.821  96.334  4.5552  93.749  4.3315  2.585640       6.285835  
1 1 1 -5  61  18 o 76.704  2.7155  3195.77    225.603  3198.83    391.465  3194.26    276.057  76.362  4.7567  76.629  3.3261  -0.2670822     5.804279  
1 1 1 -5  61  19 o 85.442  3.2029  3972.99    296.405  4114.93    436.615  3851.65    403.680  86.594  4.6725  83.819  4.4626  2.775093       6.461242  
1 1 1 -5  61  20 o 50.307  2.1895  1374.11    119.298  1139.52    372.099  1400.99    125.946  44.484  8.0179  50.790  2.2895  -6.305820      8.338367  
1 1 1 -5  61  21 o 100.742 3.2033  5532.18    349.527  6202.20    703.436  5312.52    402.766  105.572 6.1788  98.598  3.7715  6.973450       7.238912  
1 1 1 -5  61  22 o 87.434  3.2904  4173.66    311.604  3659.88    627.805  4341.61    358.938  80.327  7.2955  89.075  3.7204  -8.748817      8.189404  
1 1 1 -5  61  23 o 51.882  4.3018  1490.96    239.552  1110.41    489.255  1610.96    274.737  42.438  10.659  53.811  4.7631  -11.37251      11.67441  
1 1 1 -5  61  24 o 142.847 3.4460  11179.93   533.164  11724.06   1056.46  10993.98   617.580  143.912 6.7777  141.351 4.0339  2.560532       7.887336  
1 1 1 -5  61  25 o 52.181  4.5973  1523.73    257.179  1090.77    514.295  1668.10    296.976  41.029  11.241  54.419  5.0979  -13.39001      12.34280  
1 1 1 -5  61  26 o 23.931  7.5131  342.720    216.878  503.021    468.895  299.093    244.617  29.086  10.947  22.948  8.0063  6.137844       13.56237  
1 1 1 -5  61  27 o 20.897  7.5189  241.674    217.119  567.333    472.037  154.288    244.521  29.557  11.011  19.347  7.7276  10.20976       13.45212  
1 1 1 -5  61  28 o 17.376  7.1599  97.200     217.636  78.265     478.105  102.149    244.429  22.419  9.9317  18.146  7.5419  4.273348       12.47070  
1 1 1 -5  61  29 o 14.180  6.7341  -254.9176  280.088  0.0000     0.0000   -254.9176  280.088  ?       ?       14.180  6.7341  0.000000       6.734094  
1 1 1 -5  61  30 o 46.613  7.1915  1379.08    351.396  0.0000     0.0000   1379.08    351.396  ?       ?       46.613  7.1915  0.000000       7.191450  
1 1 1 -5  62  1  o 71.374  3.3357  2761.13    257.866  2742.72    458.256  2769.66    311.941  70.814  6.0322  71.355  4.0529  -0.5415192     7.267350  
1 1 1 -5  62  2  o 59.353  4.2692  1920.27    272.613  1962.99    386.703  1878.06    384.373  59.819  6.0518  58.484  6.1607  1.335785       8.635867  
1 1 1 -5  62  3  o 179.094 4.1664  17393.33   808.195  17471.62   990.124  17237.02   1399.01  179.437 5.0946  178.045 7.2547  1.391907       8.864871  
1 1 1 -5  62  4  o 261.177 5.0432  37015.04   1426.63  36778.30   1887.17  37330.77   2179.36  260.142 6.6978  261.944 7.6816  -1.801392      10.19151  
1 1 1 -5  62  5  o 308.948 5.4259  51813.27   1815.63  49779.02   2567.96  53846.66   2567.41  302.433 7.8395  314.606 7.5346  -12.17310      10.87323  
1 1 1 -5  62  6  o 174.366 3.6066  16483.04   681.122  15563.42   963.743  17400.78   962.763  169.328 5.2549  179.067 4.9640  -9.738708      7.228775  
1 1 1 -5  62  7  o 92.421  3.0200  4629.52    302.303  4491.22    438.565  4754.71    417.270  90.986  4.4503  93.629  4.1147  -2.642967      6.061016  
1 1 1 -5  62  8  o 176.286 5.0978  16872.37   973.348  15950.22   1380.06  17785.13   1373.02  171.156 7.4445  180.788 7.0119  -9.631821      10.22679  
1 1 1 -5  62  9  o 394.331 9.5940  85036.66   4097.61  82034.87   5795.62  88036.94   5794.16  385.262 13.889  399.388 13.394  -14.12683      19.29555  
1 1 1 -5  62  10 o 400.033 9.7245  87646.78   4213.40  87777.27   5961.34  87516.52   5955.96  398.054 13.827  397.457 13.835  0.5970154      19.56034  
1 1 1 -5  62  11 o 227.664 4.2819  28140.05   1055.85  27539.17   1493.14  28741.03   1493.26  224.923 6.1291  229.804 5.9994  -4.880356      8.576640  
1 1 1 -5  62  12 o 156.315 3.4111  13257.59   577.522  13239.20   819.279  13275.76   814.223  156.055 4.8471  156.275 4.8104  -0.2198334     6.828949  
1 1 1 -5  62  13 o 126.004 3.1750  8614.98    433.312  8702.95    620.667  8531.33    605.217  126.519 4.5293  125.273 4.4605  1.246223       6.356937  
1 1 1 -5  62  14 o 98.552  3.0439  5271.10    324.911  5420.51    470.449  5134.84    449.269  99.827  4.3511  97.169  4.2688  2.658165       6.095465  
1 1 1 -5  62  15 o 157.608 3.4849  13497.92   594.895  13545.92   853.016  13452.46   830.070  157.607 4.9970  157.088 4.8787  0.5191650      6.983670  
1 1 1 -5  62  16 o 156.329 3.4349  13285.68   581.597  13491.07   831.066  13088.55   814.199  157.227 4.8802  154.870 4.8539  2.356857       6.883097  
1 1 1 -5  62  17 o 33.737  1.8852  619.113    68.609   769.563    256.054  607.476    71.213   36.854  6.6599  33.410  1.9767  3.443836       6.947064  
1 1 1 -5  62  18 o 58.621  3.5617  1877.91    225.069  1525.07    330.065  2184.55    307.702  52.356  5.9249  63.077  4.5342  -10.72103      7.460740  
1 1 1 -5  62  19 o 51.158  3.8266  1435.47    210.496  1802.13    305.193  1102.79    290.707  57.125  4.9825  44.291  6.2323  12.83344       7.979185  
1 1 1 -5  62  20 o 102.321 3.3053  5705.00    366.314  6094.98    522.246  5327.31    513.945  105.465 4.5719  98.536  4.8156  6.928291       6.640208  
1 1 1 -5  62  21 o 23.359  7.2388  306.131    202.068  242.801    416.621  325.611    231.065  25.633  10.135  24.229  7.7722  1.404705       12.77184  
1 1 1 -5  62  22 o 20.343  7.2804  203.610    203.308  156.652    421.285  217.867    232.127  24.249  9.9730  21.309  7.7586  2.940081       12.63549  
1 1 1 -5  62  23 o 55.084  4.1539  1677.83    246.007  1474.64    503.323  1741.61    281.983  49.413  9.7507  55.969  4.6950  -6.555916      10.82217  
1 1 1 -5  62  24 o 17.049  7.0391  62.779     210.896  -108.0390  439.308  113.935    240.410  21.008  9.3996  18.986  7.6344  2.022911       12.10932  
1 1 1 -5  62  25 o 56.311  4.2385  1767.55    256.612  1659.47    529.057  1800.80    293.441  51.543  9.8356  56.603  4.8327  -5.059872      10.95878  
1 1 1 -5  62  26 o 63.275  3.9229  2236.85    267.527  2218.67    556.379  2242.32    305.113  59.471  8.9122  63.052  4.4973  -3.581112      9.982608  
1 1 1 -5  62  27 o 32.801  6.5891  653.241    225.961  442.766    490.283  710.005    254.614  27.602  10.968  33.926  7.1544  -6.324192      13.09553  
1 1 1 -5  62  28 o 48.020  5.0859  1338.65    260.499  491.146    529.265  1609.59    299.256  28.009  11.305  52.525  5.3342  -24.51658      12.49999  
1 1 1 -5  62  29 o 18.964  7.9907  117.143    280.120  0.0000     0.0000   117.143    280.120  ?       ?       18.964  7.9907  0.000000       7.990668  
1 1 1 -5  62  30 o 24.814  9.0644  408.288    317.217  0.0000     0.0000   408.288    317.217  ?       ?       24.814  9.0644  0.000000       9.064424  
1 1 1 -5  63  1  o 110.030 4.2013  6565.48    500.693  6502.01    706.096  6629.67    710.095  109.257 5.9897  110.330 5.9645  -1.073097      8.452881  
1 1 1 -5  63  2  o 113.733 3.4084  7011.46    419.862  7095.15    514.820  6845.23    725.543  114.384 4.1555  112.110 5.9969  2.274078       7.295935  
1 1 1 -5  63  3  o 103.254 2.9035  5777.58    324.710  5689.41    461.180  5864.25    457.263  102.427 4.1571  103.992 4.0597  -1.565277      5.810546  
1 1 1 -5  63  4  o 89.687  2.8179  4358.96    273.737  4232.63    386.481  4486.14    387.767  88.348  4.0389  90.958  3.9360  -2.610344      5.639604  
1 1 1 -5  63  5  o 201.524 3.9532  22022.85   862.872  22061.70   1222.02  21984.23   1218.55  201.567 5.5974  201.213 5.5914  0.3536377      7.911681  
1 1 1 -5  63  6  o 97.204  2.9808  5121.03    313.822  5498.24    452.072  4770.19    435.987  100.682 4.1456  93.774  4.2926  6.907768       5.967587  
1 1 1 -5  63  7  o 278.899 7.0532  42327.72   2130.60  43106.92   3016.80  41552.31   3009.45  280.796 9.9194  275.644 10.080  5.152435       14.14231  
1 1 1 -5  63  8  o 308.484 7.6358  51850.49   2551.28  54048.71   3614.25  49667.26   3601.90  314.062 10.625  300.919 11.051  13.14276       15.33043  
1 1 1 -5  63  9  o 298.578 7.4990  48594.83   2425.11  48831.38   3434.38  48359.59   3424.90  298.326 10.629  296.873 10.651  1.452789       15.04746  
1 1 1 -5  63  10 o 479.854 8.7249  125948.90  4534.61  128212.30  5935.24  122775.10  7028.25  482.484 11.358  470.275 13.798  12.20911       17.87138  
1 1 1 -5  63  11 o 178.171 3.6430  17226.41   703.013  17614.16   995.304  16840.37   993.119  179.989 5.1055  175.976 5.2105  4.012405       7.294885  
1 1 1 -5  63  12 o 53.099  3.5386  1537.09    202.347  1735.00    285.297  1336.76    287.033  56.293  4.7229  49.252  5.4733  7.041245       7.229263  
1 1 1 -5  63  13 o 173.985 3.6269  16439.07   683.467  16266.66   967.689  16610.68   965.450  172.822 5.1697  174.653 5.1037  -1.830429      7.264544  
1 1 1 -5  63  14 o 168.188 3.5583  15367.98   648.198  14889.09   918.094  15843.95   915.292  165.262 5.1291  170.516 4.9559  -5.254303      7.132245  
1 1 1 -5  63  15 o 138.707 3.3752  10454.83   507.073  10195.16   702.119  10737.92   733.105  136.748 4.7405  140.324 4.8235  -3.576279      6.763001  
1 1 1 -5  63  16 o 245.920 4.5662  32986.91   1216.23  32639.74   1722.98  33331.70   1717.07  243.715 6.5272  246.335 6.4356  -2.619553      9.166335  
1 1 1 -5  63  17 o 83.035  3.1269  3748.14    281.223  3706.42    410.341  3785.10    386.177  82.260  4.6243  83.194  4.3004  -0.9342728     6.314907  
1 1 1 -5  63  18 o 54.134  3.6246  1603.54    211.293  1456.89    300.751  1746.48    296.912  51.232  5.5064  56.271  4.9211  -5.039413      7.384923  
1 1 1 -5  63  19 o 79.695  3.1836  3457.51    274.801  3533.64    430.261  3405.06    357.130  80.117  4.9830  78.828  4.1980  1.289291       6.515654  
1 1 1 -5  63  20 o 20.469  7.4489  196.133    213.926  230.214    337.823  173.318    276.408  23.915  9.2210  21.418  8.3176  2.496828       12.41815  
1 1 1 -5  63  21 o 16.415  6.5065  85.476     172.119  496.317    404.741  -5.2243    190.171  30.030  10.309  15.073  6.4752  14.95673       12.17363  
1 1 1 -5  63  22 o 77.064  3.4158  3246.59    285.113  3034.67    578.207  3314.67    327.727  72.921  7.4244  77.661  3.9087  -4.740204      8.390489  
1 1 1 -5  63  23 o 22.432  1.6463  274.637    39.718   202.917    435.499  275.239    39.884   25.035  10.200  22.456  1.6514  2.579271       10.33262  
1 1 1 -5  63  24 o 85.405  3.4035  4000.70    314.832  4310.21    639.605  3901.73    361.681  86.753  6.8630  84.151  3.9682  2.602455       7.927669  
1 1 1 -5  63  25 o 37.777  6.1652  833.013    243.554  1256.11    483.508  689.156    281.935  44.151  10.300  33.584  7.8856  10.56776       12.97166  
1 1 1 -5  63  26 o 21.008  7.2645  250.329    201.172  260.419    332.916  244.526    252.482  23.113  9.0845  21.568  8.0494  1.544184       12.13763  
1 1 1 -5  63  27 f 48.123  4.7577  1326.13    244.734  918.839    523.690  1439.94    276.821  35.454  11.724  49.907  5.1974  -14.45346      12.82398  
1 1 1 -5  63  28 o 33.632  7.4385  717.456    263.776  0.0000     0.0000   717.456    263.776  ?       ?       33.632  7.4385  0.000000       7.438515  
1 1 1 -5  63  29 o 26.425  9.1129  472.670    316.461  0.0000     0.0000   472.670    316.461  ?       ?       26.425  9.1129  0.000000       9.112863  
1 1 1 -5  63  30 o 29.881  9.1814  631.917    325.862  0.0000     0.0000   631.917    325.862  ?       ?       29.881  9.1814  0.000000       9.181435  
1 1 1 -5  64  1  o 186.359 5.2730  18851.03   1064.34  19387.82   1505.76  18315.03   1504.64  188.790 7.3639  183.469 7.5718  5.320786       10.56217  
1 1 1 -5  64  2  o 284.376 5.8775  43920.66   1810.33  45132.38   2216.17  41490.44   3138.51  288.082 7.1026  275.531 10.517  12.55185       12.69054  
1 1 1 -5  64  3  o 145.540 3.2349  11481.30   509.934  11645.20   720.658  11316.95   721.654  146.512 4.5414  144.428 4.6133  2.083664       6.473493  
1 1 1 -5  64  4  o 210.838 4.0921  24109.18   934.464  23624.23   1322.61  24592.55   1320.46  208.545 5.8555  212.790 5.7293  -4.244781      8.192156  
1 1 1 -5  64  5  o 171.930 3.5457  16027.00   660.277  15896.11   938.025  16155.54   929.577  171.124 5.0610  172.521 4.9748  -1.397629      7.096597  
1 1 1 -5  64  6  o 158.861 4.7786  13697.49   822.214  13986.57   1169.73  13415.17   1155.96  160.353 6.7350  157.037 6.7963  3.315979       9.568156  
1 1 1 -5  64  7  o 296.277 7.4061  47810.28   2376.61  49288.00   3364.84  46339.22   3357.24  300.004 10.355  290.795 10.659  9.208710       14.86112  
1 1 1 -5  64  8  o 165.780 4.8780  14924.03   875.869  15677.90   1244.87  14184.99   1232.56  169.701 6.7728  161.384 7.0514  8.317368       9.777188  
1 1 1 -5  64  9  o 211.440 4.0924  24263.07   937.208  24391.20   1325.85  24135.12   1324.97  211.773 5.7804  210.654 5.8072  1.118759       8.193672  
1 1 1 -5  64  10 o 72.012  3.1609  2812.43    246.535  2882.56    352.426  2745.21    344.999  72.712  4.4971  70.950  4.5129  1.761848       6.371034  
1 1 1 -5  64  11 o 166.783 3.4566  15094.73   624.408  14524.33   880.338  15672.20   885.779  163.424 4.9735  169.781 4.8169  -6.357010      6.923722  
1 1 1 -5  64  12 o 61.927  3.4383  2088.07    229.716  1937.33    340.962  2213.37    310.856  59.406  5.3568  63.642  4.5395  -4.235592      7.021519  
1 1 1 -5  64  13 o 98.556  3.0098  5271.38    321.284  5175.81    456.704  5365.02    452.062  97.548  4.3226  99.327  4.2020  -1.778954      6.028433  
1 1 1 -5  64  14 o 200.182 3.9067  21793.14   847.049  21342.36   1199.20  22241.99   1196.62  197.663 5.6014  201.824 5.4741  -4.161972      7.832078  
1 1 1 -5  64  15 o 113.877 3.1278  7044.72    385.781  6503.85    554.209  7553.16    537.337  109.207 4.6854  117.766 4.2127  -8.558716      6.300786  
1 1 1 -5  64  16 o 13.945  6.0210  -17.0793   166.063  88.983     243.288  -109.6032  227.231  18.933  7.6564  14.894  6.7043  4.039310       10.17684  
1 1 1 -5  64  17 o 57.278  3.4662  1791.94    214.025  1509.43    305.902  2062.85    299.551  52.193  5.4937  61.294  4.5445  -9.100552      7.129781  
1 1 1 -5  64  18 o 104.490 3.0959  5939.82    350.377  5694.03    507.339  6163.95    484.467  102.026 4.5911  106.237 4.2103  -4.210945      6.229377  
1 1 1 -5  64  19 o 48.549  4.2337  1298.27    220.394  1285.94    345.277  1306.75    286.307  47.671  6.8869  48.418  5.5604  -0.7476196     8.851400  
1 1 1 -5  64  20 o 83.914  3.4793  3842.33    316.221  3847.41    484.198  3838.55    417.570  83.366  5.3913  83.506  4.6350  -0.1397934     7.109854  
1 1 1 -5  64  21 f 97.534  3.3897  5194.96    358.091  6015.44    685.975  4887.63    419.834  103.813 6.1279  94.422  4.1052  9.391289       7.375932  
1 1 1 -5  64  22 o 58.732  3.9295  1900.60    248.523  1974.16    505.229  1877.12    285.445  58.253  8.2372  58.193  4.5654  0.6016541E-01  9.417795  
1 1 1 -5  64  23 o 84.630  3.3795  3920.73    309.777  4378.52    626.309  3772.47    356.427  87.888  6.6282  82.846  3.9722  5.042526       7.727290  
1 1 1 -5  64  24 o 38.977  5.8977  872.915    241.195  740.300    478.146  918.177    279.339  34.396  11.194  39.664  6.7436  -5.268456      13.06831  
1 1 1 -5  64  25 o 15.603  6.7808  -6.0651    213.410  -409.5189  446.053  113.703    243.031  17.961  8.5205  18.748  7.6269  -0.7876167     11.43540  
1 1 1 -5  64  26 o 25.171  7.6103  390.702    225.099  193.227    468.603  449.938    256.649  24.115  10.256  26.799  8.1315  -2.683628      13.08870  
1 1 1 -5  64  27 o 55.471  2.5949  1691.43    155.900  1376.82    545.317  1719.44    162.691  43.652  11.407  55.898  2.6872  -12.24572      11.71951  
1 1 1 -5  64  28 o 27.666  8.0752  499.920    257.015  0.0000     0.0000   499.920    257.015  ?       ?       27.666  8.0752  0.000000       8.075191  
1 1 1 -5  64  29 o 59.301  5.6222  2092.98    356.797  0.0000     0.0000   2092.98    356.797  ?       ?       59.301  5.6222  0.000000       5.622195  
1 1 1 -5  65  1  o 154.257 3.7485  12902.46   626.277  12862.61   764.440  12983.80   1092.18  153.970 4.5839  154.546 6.5248  -0.5752106     7.974045  
1 1 1 -5  65  2  o 112.299 2.9230  6834.81    355.535  6892.39    505.477  6778.44    500.168  112.727 4.1400  111.792 4.1308  0.9353790      5.848369  
1 1 1 -5  65  3  o 61.557  3.0956  2059.06    205.735  2136.99    282.986  1971.71    299.634  62.626  4.1962  60.102  4.6388  2.524937       6.255150  
1 1 1 -5  65  4  o 193.784 3.7926  20364.40   796.019  20826.65   1129.10  19907.61   1122.42  195.842 5.3230  191.463 5.4125  4.378571       7.591409  
1 1 1 -5  65  5  o 448.279 10.816  110093.10  5251.69  107649.10  7429.04  112534.50  7424.98  440.568 15.569  450.695 15.210  -10.12744      21.76554  
1 1 1 -5  65  6  o 137.803 4.4964  10305.92   671.112  10701.64   969.787  9942.26    929.674  140.272 6.3832  135.207 6.3484  5.065231       9.002583  
1 1 1 -5  65  7  o 245.148 6.3009  32693.92   1673.02  34588.96   2375.89  30830.10   2356.25  251.632 8.7175  237.459 9.1614  14.17290       12.64618  
1 1 1 -5  65  8  o 151.144 3.3086  12388.60   541.629  12313.34   767.920  12463.11   764.052  150.578 4.7085  151.495 4.6564  -0.9176331     6.622123  
1 1 1 -5  65  9  o 173.277 3.5760  16289.47   671.131  16667.98   952.794  15916.73   945.495  175.124 5.0232  171.122 5.1013  4.001602       7.159353  
1 1 1 -5  65  10 o 160.694 3.4626  14011.52   602.664  14230.19   854.821  13795.41   849.794  161.788 4.8782  159.291 4.9255  2.496765       6.932367  
1 1 1 -5  65  11 o 79.610  2.9942  3437.97    258.181  3404.33    361.384  3473.04    368.981  79.042  4.2367  79.832  4.2830  -0.7905426     6.024401  
1 1 1 -5  65  12 o 137.472 3.2781  10258.63   488.095  10175.82   670.670  10351.87   711.695  136.771 4.5274  137.916 4.7644  -1.145004      6.572412  
1 1 1 -5  65  13 o 82.936  3.1022  3734.15    278.668  3821.86    404.949  3655.24    384.071  83.674  4.4846  81.844  4.3482  1.830078       6.246502  
1 1 1 -5  65  14 o 182.805 3.7616  18173.41   744.782  18209.96   1061.98  18138.03   1044.79  182.594 5.3698  182.255 5.2927  0.3389587      7.539770  
1 1 1 -5  65  15 o 200.717 4.1490  21944.61   901.989  22149.54   1213.45  21691.55   1348.41  201.186 5.5687  198.822 6.2616  2.363419       8.379646  
1 1 1 -5  65  16 o 152.821 3.3933  12702.57   561.665  12421.51   772.184  13018.33   818.464  150.814 4.7273  154.347 4.8959  -3.533646      6.805638  
1 1 1 -5  65  17 o 64.881  3.3063  2296.46    231.576  2007.67    330.819  2573.93    324.274  60.335  5.1104  68.515  4.3929  -8.180302      6.738964  
1 1 1 -5  65  18 o 16.125  6.3727  81.455     164.659  36.643     234.741  124.862    231.030  17.563  7.3528  19.255  7.5679  -1.692051      10.55169  
1 1 1 -5  65  19 o 86.463  3.3007  4073.57    309.105  4134.55    473.967  4028.44    407.750  86.605  5.0750  85.668  4.4094  0.9371719      6.722978  
1 1 1 -5  65  20 o 73.218  3.8235  2938.87    302.160  3073.73    490.668  2856.48    383.505  74.180  6.1628  71.885  4.9559  2.294701       7.908299  
1 1 1 -5  65  21 o 52.214  5.0076  1517.40    279.721  1191.55    479.927  1685.05    344.235  44.409  10.194  54.774  5.8953  -10.36555      11.77553  
1 1 1 -5  65  22 o 110.047 3.2817  6620.01    391.150  6623.62    776.663  6618.78    452.762  108.341 6.6508  109.861 3.8050  -1.519913      7.662364  
1 1 1 -5  65  23 o 96.636  3.3005  5112.58    345.457  5419.96    697.760  5012.77    397.608  97.714  6.6322  95.505  3.8438  2.209000       7.665563  
1 1 1 -5  65  24 o 58.049  2.6846  1841.60    168.788  1714.55    204.667  2111.76    298.439  55.757  3.4053  61.501  4.5117  -5.743717      5.652617  
1 1 1 -5  65  25 o 31.923  6.8275  614.789    228.921  989.020    472.272  499.858    261.723  38.256  10.881  28.356  8.1120  9.899269       13.57178  
1 1 1 -5  65  26 o 43.120  5.3023  1076.35    242.416  1143.90    505.437  1056.16    276.264  40.361  11.179  42.210  6.2301  -1.849285      12.79748  
1 1 1 -5  65  27 o 14.474  6.5896  -93.0887   227.122  -751.3965  461.896  116.837    260.833  15.741  7.7423  18.853  7.8095  -3.111886      10.99691  
1 1 1 -5  65  28 o 22.360  8.5526  282.729    289.074  0.0000     0.0000   282.729    289.074  ?       ?       22.360  8.5526  0.000000       8.552609  
1 1 1 -5  65  29 o 12.627  6.1521  -398.8194  271.562  0.0000     0.0000   -398.8194  271.562  ?       ?       12.627  6.1521  0.000000       6.152090  
1 1 1 -5  66  1  o 357.560 6.1259  69486.16   2372.39  69172.89   3356.28  69798.97   3353.86  356.105 8.7018  357.726 8.6561  -1.621429      12.27397  
1 1 1 -5  66  2  o 182.310 3.8028  18024.77   750.898  18101.31   1122.62  17962.80   1010.12  182.540 5.6782  181.892 5.1273  0.6473846      7.650541  
1 1 1 -5  66  3  o 73.876  2.9400  2958.16    235.249  2897.54    325.339  3024.59    340.568  72.968  4.1335  74.547  4.2355  -1.578499      5.918193  
1 1 1 -5  66  4  o 180.248 5.1393  17642.63   1003.33  16922.54   1417.74  18365.13   1420.10  176.271 7.4258  183.670 7.1386  -7.399017      10.30061  
1 1 1 -5  66  5  o 183.811 5.1939  18350.83   1034.04  17249.32   1459.20  19461.92   1465.53  177.917 7.5723  189.046 7.1574  -11.12904      10.41961  
1 1 1 -5  66  6  o 97.422  4.0935  5149.93    431.940  5001.70    622.973  5287.16    599.419  95.713  6.0404  98.466  5.6441  -2.752922      8.266886  
1 1 1 -5  66  7  o 156.869 3.4082  13346.08   579.067  13341.95   822.149  13350.14   815.739  156.728 4.8432  156.780 4.8039  -0.5187988E-01 6.821568  
1 1 1 -5  66  8  o 124.519 3.1181  8408.23    420.531  8168.74    601.845  8636.71    587.844  122.640 4.5309  126.122 4.3033  -3.481758      6.248763  
1 1 1 -5  66  9  o 186.412 3.9002  18864.11   787.469  19291.63   1059.45  18336.36   1177.11  188.338 5.1937  183.498 5.9227  4.839523       7.877314  
1 1 1 -5  66  10 o 70.171  3.0260  2670.98    229.986  2932.25    326.375  2413.28    324.135  73.356  4.1245  66.480  4.5285  6.876251       6.125309  
1 1 1 -5  66  11 o 124.315 3.0948  8385.88    416.700  8148.79    586.782  8627.08    591.856  122.419 4.4255  125.970 4.3379  -3.551369      6.196922  
1 1 1 -5  66  12 o 143.971 3.2748  11253.89   510.656  10562.78   722.822  11942.54   721.534  139.276 4.7916  148.142 4.4969  -8.865738      6.571264  
1 1 1 -5  66  13 o 110.100 3.0441  6581.58    363.006  6654.59    515.886  6509.99    510.888  110.566 4.3079  109.357 4.3133  1.208595       6.096069  
1 1 1 -5  66  14 o 38.980  4.4410  838.519    184.149  739.023    264.122  932.635    256.882  36.068  7.0136  40.851  5.9830  -4.783493      9.218839  
1 1 1 -5  66  15 o 110.657 3.0503  6653.02    365.582  6730.71    521.214  6577.79    512.908  111.117 4.3308  109.850 4.3109  1.266251       6.110612  
1 1 1 -5  66  16 o 121.600 3.1440  8039.35    414.080  7988.75    590.409  8088.32    580.901  120.965 4.5063  121.738 4.4056  -0.7732315     6.302083  
1 1 1 -5  66  17 f 111.391 3.1016  6749.42    374.201  6734.79    540.659  6762.87    518.440  111.000 4.4971  111.275 4.3016  -0.2748871     6.223155  
1 1 1 -5  66  18 o 57.743  3.5332  1823.96    219.905  1557.70    314.718  2077.98    307.396  52.930  5.5734  61.431  4.6546  -8.500652      7.261406  
1 1 1 -5  66  19 f 104.000 3.2885  5895.18    370.421  6028.62    544.726  5780.39    505.212  104.792 4.7993  102.684 4.5426  2.107704       6.608215  
1 1 1 -5  66  20 o 99.451  3.4777  5401.09    374.604  5931.83    574.411  5008.31    494.144  103.723 5.1130  95.293  4.8031  8.430222       7.015194  
1 1 1 -5  66  21 o 79.275  3.9579  3445.78    339.836  3245.25    583.388  3548.77    418.098  75.562  7.2160  80.069  4.8439  -4.506577      8.691013  
1 1 1 -5  66  22 o 61.135  3.8402  2058.36    252.986  2110.98    517.910  2041.87    289.929  60.232  8.1480  60.719  4.4393  -0.4868889     9.278837  
1 1 1 -5  66  23 o 126.945 3.3259  8830.44    457.290  8981.86    919.509  8780.68    527.095  125.572 6.7859  126.335 3.8521  -0.7631302     7.803007  
1 1 1 -5  66  24 o 113.480 3.1857  7073.18    391.558  6938.09    818.417  7113.28    445.903  109.376 6.9445  113.567 3.6251  -4.191315      7.833726  
1 1 1 -5  66  25 o 45.460  4.6796  1174.53    227.121  904.060    500.990  1244.50    254.810  36.100  11.430  46.590  5.1349  -10.48996      12.53044  
1 1 1 -5  66  26 o 27.508  7.4608  472.286    227.908  305.911    473.362  522.492    260.031  25.558  10.548  28.709  8.0418  -3.151239      13.26418  
1 1 1 -5  66  27 f 68.275  3.8569  2620.11    284.046  2467.33    591.783  2665.85    323.781  61.404  9.1798  68.507  4.3867  -7.103001      10.17411  
1 1 1 -5  66  28 o 20.362  8.3207  180.686    290.903  0.0000     0.0000   180.686    290.903  ?       ?       20.362  8.3207  0.000000       8.320665  
1 1 1 -5  66  29 o 61.974  5.6051  2281.89    372.165  0.0000     0.0000   2281.89    372.165  ?       ?       61.974  5.6051  0.000000       5.605061  
1 1 1 -5  67  1  o 143.478 3.2089  11160.33   498.668  11190.76   706.338  11130.09   704.113  143.596 4.5415  143.206 4.5395  0.3896027      6.421268  
1 1 1 -5  67  2  o 201.078 3.9621  21932.59   862.901  21670.51   1222.13  22193.13   1218.53  199.701 5.6502  202.105 5.5666  -2.403763      7.931710  
1 1 1 -5  67  3  o 253.827 6.5580  35054.68   1802.93  34724.78   2550.64  35384.11   2548.81  252.026 9.3440  254.431 9.2491  -2.405624      13.14746  
1 1 1 -5  67  4  o 210.290 5.6978  24036.67   1297.78  24516.73   1835.58  23556.87   1835.09  212.004 7.9939  207.782 8.1541  4.221786       11.41896  
1 1 1 -5  67  5  o 213.740 5.7635  24839.26   1334.26  24411.47   1889.54  25264.70   1884.33  211.452 8.2504  215.150 8.0862  -3.697922      11.55231  
1 1 1 -5  67  6  o 70.337  3.0111  2682.31    229.391  2403.76    328.983  2945.90    320.018  66.375  4.6046  73.568  4.0316  -7.193413      6.120145  
1 1 1 -5  67  7  o 175.848 3.5640  16776.05   678.808  16857.32   963.106  16695.83   956.884  176.115 5.0490  175.270 5.0406  0.8445435      7.134444  
1 1 1 -5  67  8  o 157.309 3.3529  13424.90   571.265  13620.39   810.235  13231.66   805.567  158.313 4.7253  156.032 4.7667  2.280304       6.711883  
1 1 1 -5  67  9  o 51.028  3.3915  1419.18    186.377  1442.11    268.982  1397.99    258.485  51.264  4.9042  50.483  4.7845  0.7810211      6.851475  
1 1 1 -5  67  10 o 103.630 2.9520  5825.87    331.341  5542.23    468.564  6109.57    468.610  100.979 4.2842  106.040 4.0801  -5.060486      5.916209  
1 1 1 -5  67  11 f 30.372  5.6309  519.005    178.411  218.549    270.872  749.226    237.109  22.541  8.3522  36.539  6.2137  -13.99798      10.41009  
1 1 1 -5  67  12 o 172.812 3.6078  16228.34   675.289  16188.97   953.376  16267.98   956.637  172.307 5.1085  172.726 5.1135  -0.4187927     7.228028  
1 1 1 -5  67  13 o 89.902  3.0751  4389.37    299.436  4127.48    432.470  4630.54    415.002  86.907  4.6109  92.233  4.1543  -5.325302      6.206331  
1 1 1 -5  67  14 o 131.052 3.2052  9332.93    454.955  9357.47    650.512  9309.44    636.523  130.990 4.5851  130.671 4.4974  0.3193207      6.422607  
1 1 1 -5  67  15 o 92.415  3.1325  4641.99    313.545  4690.49    464.869  4601.51    424.690  92.697  4.6302  91.868  4.2681  0.8288040      6.297251  
1 1 1 -5  67  16 o 37.718  4.7668  789.876    190.387  633.959    282.123  920.257    257.987  33.126  7.9618  40.479  6.0716  -7.352688      10.01272  
1 1 1 -5  67  17 o 39.627  1.3464  851.142    57.788   351.543    254.950  878.200    59.333   25.344  8.1676  40.252  1.3609  -14.90730      8.280162  
1 1 1 -5  67  18 o 82.196  3.1849  3678.88    283.538  3489.35    414.805  3845.10    388.457  79.627  4.8325  83.738  4.2975  -4.110886      6.466939  
1 1 1 -5  67  19 o 111.226 3.2020  6742.48    385.745  6560.81    592.233  6876.35    508.371  109.217 5.0065  112.072 4.1881  -2.854851      6.527249  
1 1 1 -5  67  20 o 16.963  7.1731  23.922     227.041  179.397    353.357  -85.3941   296.296  23.209  9.2827  17.532  7.7899  5.676857       12.11825  
1 1 1 -5  67  21 o 36.453  7.1989  773.758    274.144  941.154    532.176  713.291    319.848  39.034  11.679  34.601  8.5775  4.433918       14.49052  
1 1 1 -5  67  22 o 21.408  7.3407  243.589    205.201  665.090    430.216  119.455    233.470  33.275  10.598  18.973  7.5597  14.30224       13.01786  
1 1 1 -5  67  23 o 85.573  3.4641  4020.07    321.070  3752.52    636.817  4111.26    371.781  80.495  7.3866  86.354  3.9750  -5.858658      8.388265  
1 1 1 -5  67  24 o 96.752  3.3276  5155.31    348.709  4964.51    706.105  5216.85    401.023  92.012  7.1412  97.075  3.8141  -5.063095      8.095942  
1 1 1 -5  67  25 o 47.347  4.8470  1278.69    245.057  1282.96    507.410  1277.39    279.858  43.399  10.830  46.926  5.6179  -3.527180      12.19998  
1 1 1 -5  67  26 o 21.252  7.6163  253.801    222.573  468.177    466.646  190.670    253.234  27.806  10.805  20.254  7.9347  7.551813       13.40539  
1 1 1 -5  67  27 f 16.091  6.9195  31.808     217.560  -681.3195  467.545  228.893    245.792  16.172  7.9204  20.779  7.9010  -4.607187      11.18739  
1 1 1 -5  67  28 o 20.524  8.3639  190.436    292.912  0.0000     0.0000   190.436    292.912  ?       ?       20.524  8.3639  0.000000       8.363899  
1 1 1 -5  67  29 o 25.869  8.9492  448.671    305.310  0.0000     0.0000   448.671    305.310  ?       ?       25.869  8.9492  0.000000       8.949168  
1 1 1 -5  68  1  o 158.922 3.3207  13694.90   571.591  13692.56   809.941  13697.22   806.772  158.806 4.7089  158.835 4.6896  -0.2870178E-01 6.645728  
1 1 1 -5  68  2  o 287.685 7.2407  45095.67   2256.16  45432.44   3196.09  44761.16   3185.30  287.877 10.250  285.728 10.293  2.148987       14.52621  
1 1 1 -5  68  3  o 419.878 10.175  96664.33   4627.38  96053.84   6546.23  97274.02   6541.99  415.897 14.532  418.603 14.429  -2.706757      20.47891  
1 1 1 -5  68  4  o 279.817 7.1022  42670.42   2152.47  42334.60   3045.29  43005.69   3042.81  277.815 10.120  280.040 10.032  -2.224274      14.25007  
1 1 1 -5  68  5  o 97.256  2.9300  5128.22    308.646  4929.13    441.862  5317.91    431.311  95.287  4.2814  98.988  4.0229  -3.700638      5.874822  
1 1 1 -5  68  6  o 215.155 4.0982  25130.04   955.034  24888.61   1352.08  25370.44   1349.17  213.854 5.8374  215.926 5.7689  -2.072433      8.206989  
1 1 1 -5  68  7  o 134.115 3.1781  9756.31    461.648  9756.68    661.508  9755.97    644.560  134.005 4.5577  134.011 4.4407  -0.6210327E-02 6.363362  
1 1 1 -5  68  8  o 59.054  3.2501  1897.74    207.079  1778.38    309.246  1994.76    278.820  56.956  5.0658  60.444  4.2867  -3.488110      6.636139  
1 1 1 -5  68  9  o 104.824 3.0076  5961.00    341.464  6113.47    496.869  5824.54    470.052  106.057 4.3255  103.531 4.1918  2.525131       6.023385  
1 1 1 -5  68  10 o 36.366  1.6939  716.652    66.718   715.990    232.672  716.712    69.643   35.700  6.2449  36.367  1.7681  -0.6669579     6.490321  
1 1 1 -5  68  11 o 138.714 3.2074  10447.17   481.883  10401.23   679.715  10493.59   683.269  138.230 4.5400  138.841 4.5436  -0.6117401     6.423094  
1 1 1 -5  68  12 o 275.990 4.9888  41540.93   1491.28  40291.80   2109.25  42789.45   2108.74  270.790 7.1916  279.177 6.9738  -8.386963      10.01767  
1 1 1 -5  68  13 o 133.432 3.1804  9672.79    459.628  10209.94   658.478  9162.42    641.864  136.879 4.4415  129.643 4.5711  7.235626       6.373571  
1 1 1 -5  68  14 o 102.396 3.0983  5697.12    343.617  5765.61    497.647  5634.71    475.036  102.824 4.4684  101.674 4.3137  1.150024       6.210858  
1 1 1 -5  68  15 o 166.221 3.5462  15037.00   638.441  15079.98   911.097  14995.53   894.905  166.032 5.0664  165.591 4.9896  0.4405670      7.110934  
1 1 1 -5  68  16 o 105.733 3.1069  6080.60    355.801  6045.15    514.409  6113.12    492.654  105.172 4.5158  105.807 4.2989  -0.6346664     6.234868  
1 1 1 -5  68  17 o 149.349 3.4044  12149.37   550.695  12104.06   787.927  12192.64   769.984  148.614 4.8950  149.203 4.7647  -0.5892181     6.831084  
1 1 1 -5  68  18 o 81.670  3.2136  3633.46    284.268  3543.86    417.739  3710.73    387.945  80.221  4.8303  82.216  4.3723  -1.994904      6.515288  
1 1 1 -5  68  19 o 55.665  4.2938  1708.17    256.874  1644.08    404.392  1751.53    332.593  53.787  7.1163  56.045  5.5521  -2.257999      9.025942  
1 1 1 -5  68  20 o 113.092 3.4221  6987.34    419.179  7020.31    631.545  6961.38    560.424  112.729 5.1725  112.487 4.5999  0.2420578      6.921936  
1 1 1 -5  68  21 o 17.224  7.3466  14.596     241.695  221.065    412.615  -93.2524   298.211  24.972  10.016  17.415  7.7716  7.556171       12.67716  
1 1 1 -5  68  22 o 21.395  7.3443  244.152    205.434  758.279    429.321  91.474     233.957  35.118  10.486  18.371  7.4793  16.74754       12.88003  
1 1 1 -5  68  23 o 48.596  2.3167  1287.50    121.940  1834.99    491.812  1251.64    125.870  55.311  8.4801  47.837  2.4374  7.473866       8.823422  
1 1 1 -5  68  24 f 52.648  4.3979  1558.99    248.488  1886.78    511.969  1457.97    284.209  55.092  8.8820  50.496  5.2744  4.595848       10.33002  
1 1 1 -5  68  25 o 25.817  7.5073  411.237    222.508  182.044    460.557  481.022    254.135  23.916  10.170  27.709  8.0132  -3.793585      12.94735  
1 1 1 -5  68  26 o 39.906  5.7102  937.380    239.773  876.314    499.188  955.694    273.374  34.849  11.442  39.811  6.5690  -4.962475      13.19389  
1 1 1 -5  68  27 o 56.567  5.0082  1852.31    303.670  0.0000     0.0000   1852.31    303.670  ?       ?       56.567  5.0082  0.000000       5.008156  
1 1 1 -5  68  28 o 39.762  7.7855  1019.31    323.295  0.0000     0.0000   1019.31    323.295  ?       ?       39.762  7.7855  0.000000       7.785465  
1 1 1 -5  69  1  o 88.593  3.9212  4258.86    376.257  4076.53    541.798  4428.71    522.920  86.380  5.8250  90.105  5.3828  -3.725067      7.931281  
1 1 1 -5  69  2  o 272.195 6.9404  40375.07   2046.14  40177.04   2899.18  40571.61   2888.20  270.659 9.8897  272.015 9.8031  -1.355621      13.92506  
1 1 1 -5  69  3  o 275.755 7.0189  41452.53   2096.35  41269.98   2966.25  41634.68   2963.12  274.225 9.9869  275.454 9.9318  -1.229004      14.08472  
1 1 1 -5  69  4  o 132.977 3.1497  9589.55    453.643  9584.79    640.999  9594.33    642.100  132.851 4.4547  132.917 4.4602  -0.6561279E-01 6.303800  
1 1 1 -5  69  5  o 122.178 3.0450  8095.20    402.943  8124.91    570.872  8065.71    568.829  122.317 4.3091  121.870 4.3094  0.4464417      6.094150  
1 1 1 -5  69  6  o 110.519 3.0013  6624.28    359.270  6827.17    515.855  6433.16    500.655  112.117 4.2480  108.834 4.2472  3.283264       6.007046  
1 1 1 -5  69  7  o 43.520  3.7152  1035.60    173.443  1230.05    259.217  877.969    233.383  47.274  5.1457  39.777  5.5699  7.497494       7.582962  
1 1 1 -5  69  8  o 18.786  6.1351  185.112    143.581  307.248    215.715  87.964     192.388  23.831  7.4948  17.352  6.8786  6.478909       10.17287  
1 1 1 -5  69  9  o 190.217 3.7886  19655.40   780.549  19678.68   1107.56  19632.44   1100.20  190.031 5.3811  189.814 5.3515  0.2169189      7.589132  
1 1 1 -5  69  10 o 178.957 3.6424  17399.31   706.007  17947.68   1001.70  16858.01   995.221  181.477 5.0962  175.854 5.2251  5.623505       7.298845  
1 1 1 -5  69  11 o 88.895  2.9739  4289.78    286.334  3969.51    411.901  4589.27    398.316  85.267  4.4757  91.856  4.0036  -6.588799      6.005068  
1 1 1 -5  69  12 o 221.365 4.2049  26679.52   1008.18  26229.22   1424.66  27131.25   1426.91  218.883 6.0094  222.651 5.9170  -3.768646      8.433487  
1 1 1 -5  69  13 o 79.392  3.1247  3424.56    268.697  3285.85    391.473  3548.12    369.471  77.472  4.6874  80.591  4.2478  -3.118896      6.325782  
1 1 1 -5  69  14 o 166.804 3.5249  15137.41   636.838  14771.97   907.342  15492.22   894.055  164.368 5.0966  168.387 4.9021  -4.019623      7.071534  
1 1 1 -5  69  15 o 58.914  3.4531  1895.54    219.380  1906.74    316.081  1885.12    304.731  58.820  5.0091  58.514  4.8520  0.3053665      6.973774  
1 1 1 -5  69  16 o 34.313  5.0942  658.794    183.574  805.847    265.249  523.609    254.321  37.639  6.7546  30.113  7.7516  7.525982       10.28160  
1 1 1 -5  69  17 o 41.581  4.6975  958.756    207.846  1172.97    322.316  806.267    271.941  45.546  6.7370  37.557  6.9408  7.988430       9.672730  
1 1 1 -5  69  18 o 45.995  4.4289  1169.46    217.911  578.898    341.824  1573.78    282.833  31.561  9.3413  53.297  4.9564  -21.73522      10.57481  
1 1 1 -5  69  19 o 77.833  3.6376  3310.59    306.655  3675.22    453.344  3003.01    416.365  81.482  5.1635  73.593  5.2582  7.889000       7.369593  
1 1 1 -5  69  20 o 37.844  6.0700  816.180    240.392  855.413    358.798  784.224    323.817  37.881  8.8967  36.390  8.3877  1.490498       12.22720  
1 1 1 -5  69  21 f 27.048  7.7336  428.042    237.941  385.484    364.917  459.518    313.831  27.114  9.7486  28.237  9.0578  -1.122478      13.30707  
1 1 1 -5  69  22 o 66.996  3.6806  2472.41    266.057  2276.73    542.852  2534.27    305.230  62.226  8.2586  67.666  4.1853  -5.440044      9.258535  
1 1 1 -5  69  23 o 43.330  5.0408  1064.79    232.147  1026.46    481.035  1076.42    265.056  39.683  10.871  43.263  5.8029  -3.579639      12.32277  
1 1 1 -5  69  24 o 41.456  5.3154  990.084    233.170  369.249    482.292  1179.46    266.369  27.003  10.829  45.175  5.5614  -18.17203      12.17364  
1 1 1 -5  69  25 o 31.551  2.2345  547.022    75.868   535.615    478.784  547.315    76.839   29.230  11.048  31.554  2.2633  -2.324503      11.27750  
1 1 1 -5  69  26 o 16.116  7.0137  9.1338     228.952  18.218     458.416  6.1146     264.273  21.577  9.6316  17.098  7.4858  4.478779       12.19854  
1 1 1 -5  69  27 o 28.649  8.1253  537.152    263.749  0.0000     0.0000   537.152    263.749  ?       ?       28.649  8.1253  0.000000       8.125257  
1 1 1 -5  69  28 o 22.414  8.6427  285.972    296.780  0.0000     0.0000   285.972    296.780  ?       ?       22.414  8.6427  0.000000       8.642668  
1 1 1 -5  70  1  o 199.420 5.4773  21629.95   1183.05  20882.14   1674.52  22375.20   1671.67  195.485 7.9087  202.417 7.6249  -6.931778      10.98573  
1 1 1 -5  70  2  o 337.504 8.3656  62320.48   3058.05  61578.31   4329.27  63059.57   4320.23  333.713 11.978  337.801 11.808  -4.087769      16.81939  
1 1 1 -5  70  3  f 188.174 3.7725  19217.39   768.888  18872.12   1086.67  19563.55   1088.07  186.269 5.3863  189.664 5.2967  -3.395203      7.554236  
1 1 1 -5  70  4  o 69.798  3.0314  2642.12    229.172  2411.25    334.084  2847.31    314.957  66.450  4.6715  72.305  4.0379  -5.854599      6.174733  
1 1 1 -5  70  5  o 89.455  2.8871  4339.64    279.728  4224.28    397.577  4452.72    393.644  88.192  4.1622  90.555  4.0135  -2.362320      5.782019  
1 1 1 -5  70  6  o 95.631  2.9093  4960.05    301.336  4783.26    422.165  5143.68    430.258  93.838  4.1537  97.314  4.0821  -3.476166      5.823798  
1 1 1 -5  70  7  o 61.443  3.0945  2053.48    205.277  1892.03    301.134  2193.63    280.567  58.787  4.7706  63.409  4.1073  -4.622421      6.295090  
1 1 1 -5  70  8  f 117.719 3.0251  7519.39    385.707  7406.90    549.290  7628.81    541.734  116.713 4.3452  118.462 4.2222  -1.748871      6.058693  
1 1 1 -5  70  9  o 122.089 3.0756  8090.40    406.702  8085.54    582.263  8095.03    568.318  121.909 4.4098  121.994 4.3011  -0.8516693E-01 6.160006  
1 1 1 -5  70  10 o 110.614 2.9675  6641.58    355.521  6943.58    504.242  6343.05    501.336  112.979 4.1207  107.963 4.2873  5.015976       5.946501  
1 1 1 -5  70  11 o 101.547 2.9490  5598.55    324.345  5652.25    460.124  5545.52    457.276  101.905 4.1688  100.936 4.1827  0.9683838      5.905428  
1 1 1 -5  70  12 o 161.882 3.4313  14245.29   601.628  13717.49   849.129  14777.34   852.544  158.534 4.9452  164.586 4.7825  -6.051834      6.879462  
1 1 1 -5  70  13 o 54.980  3.4946  1650.56    207.016  1487.63    296.504  1805.51    289.164  51.884  5.3532  57.331  4.6980  -5.447071      7.122309  
1 1 1 -5  70  14 o 73.049  3.2071  2901.54    253.742  2737.80    371.420  3044.85    347.467  70.606  4.8869  74.587  4.3196  -3.980705      6.522299  
1 1 1 -5  70  15 o 58.880  3.4503  1893.75    219.079  1911.72    315.622  1877.04    304.336  58.886  4.9957  58.374  4.8576  0.5121040      6.968082  
1 1 1 -5  70  16 o 97.090  3.1170  5129.17    327.783  5102.34    478.384  5152.90    450.026  96.573  4.5735  97.111  4.2786  -0.5387344     6.262854  
1 1 1 -5  70  17 o 20.543  6.7216  226.419    172.313  374.097    246.468  85.224     240.998  25.810  7.9940  18.679  7.5964  7.130350       11.02770  
1 1 1 -5  70  18 o 48.443  4.8370  1302.02    250.401  1362.08    410.159  1266.33    316.156  48.584  8.0782  47.373  6.3193  1.210514       10.25628  
1 1 1 -5  70  19 o 69.607  2.8394  2639.08    214.064  2630.38    442.318  2641.74    244.619  68.566  6.0168  69.581  3.2459  -1.014771      6.836497  
1 1 1 -5  70  20 o 48.232  4.9629  1297.68    255.561  1431.24    381.253  1188.69    344.388  49.897  7.2680  45.401  7.2471  4.495934       10.26377  
1 1 1 -5  70  21 o 46.342  5.1869  1205.41    255.879  1446.47    386.223  1016.83    341.605  50.002  7.3508  41.575  7.8744  8.427158       10.77223  
1 1 1 -5  70  22 o 20.274  7.1181  214.566    193.494  383.970    416.899  168.055    218.447  27.392  10.320  19.578  7.4475  7.813660       12.72643  
1 1 1 -5  70  23 o 36.082  6.1629  762.521    232.203  694.457    559.221  776.701    255.248  33.045  12.041  36.161  6.7657  -3.115948      13.81138  
1 1 1 -5  70  24 o 39.092  5.6232  888.846    231.236  833.172    480.654  905.612    263.765  34.924  11.210  39.055  6.4613  -4.131626      12.93907  
1 1 1 -5  70  25 o 57.399  4.5353  1868.62    279.658  1851.08    536.266  1875.17    327.754  53.223  9.6585  56.991  5.3731  -3.768578      11.05248  
1 1 1 -5  70  26 o 36.361  6.2384  796.066    236.837  747.599    491.164  810.750    270.342  32.228  11.339  36.155  7.1569  -3.926777      13.40886  
1 1 1 -5  70  27 o 18.660  8.2240  26.021     323.718  0.0000     0.0000   26.021     323.718  ?       ?       18.660  8.2240  0.000000       8.223981  
1 1 1 -5  70  28 o 15.040  7.0236  -177.5035  282.593  0.0000     0.0000   -177.5035  282.593  ?       ?       15.040  7.0236  0.000000       7.023590  
1 1 1 -5  71  1  o 136.781 4.3741  10163.16   648.013  10007.82   921.469  10315.14   911.470  135.511 6.2782  137.598 6.1159  -2.087082      8.764689  
1 1 1 -5  71  2  o 40.458  4.4225  899.781    190.638  806.634    227.240  1121.11    350.284  38.082  5.6832  44.704  7.5001  -6.621525      9.410107  
1 1 1 -5  71  3  o 58.789  3.0731  1879.76    195.002  1811.57    267.683  1956.87    284.648  57.586  4.3233  59.852  4.4223  -2.265762      6.184430  
1 1 1 -5  71  4  o 197.333 3.9132  21144.52   836.372  20221.88   1185.66  22058.34   1179.98  192.697 5.6809  201.309 5.4118  -8.611801      7.846010  
1 1 1 -5  71  5  o 79.132  2.8788  3396.34    246.739  3252.73    350.516  3537.40    347.388  77.261  4.2045  80.703  3.9743  -3.442146      5.785564  
1 1 1 -5  71  6  f 172.220 3.5698  16103.06   665.882  15760.13   942.237  16445.20   941.162  170.151 5.1128  173.829 4.9989  -3.678558      7.150457  
1 1 1 -5  71  7  o 176.085 3.6196  16838.87   690.325  16713.56   980.436  16962.07   972.152  175.172 5.1675  176.486 5.0857  -1.313385      7.250393  
1 1 1 -5  71  8  o 25.482  5.7321  368.289    154.371  247.499    242.259  450.864    200.303  22.611  7.9627  28.149  6.6717  -5.538311      10.38823  
1 1 1 -5  71  9  o 157.901 3.4261  13543.54   585.946  12989.05   833.365  14085.65   824.019  154.374 4.9842  160.809 4.7310  -6.435486      6.872023  
1 1 1 -5  71  10 o 100.706 2.9653  5505.93    323.443  5637.25    464.304  5382.12    450.827  101.771 4.2122  99.445  4.1856  2.326439       5.938157  
1 1 1 -5  71  11 o 78.233  2.9367  3323.41    248.842  3186.14    353.227  3458.65    350.620  76.367  4.2878  79.608  4.0801  -3.240715      5.918881  
1 1 1 -5  71  12 o 12.317  5.5334  -73.0459   153.915  -255.4582  225.856  85.119     210.310  12.975  6.1278  17.820  7.1494  -4.844975      9.416116  
1 1 1 -5  71  13 o 48.050  3.7756  1264.62    194.912  1310.23    280.919  1222.29    270.661  48.629  5.4260  46.949  5.4223  1.679951       7.670955  
1 1 1 -5  71  14 o 47.238  3.8803  1224.11    196.774  1254.90    283.620  1195.54    273.233  47.505  5.6212  46.368  5.5509  1.137066       7.900031  
1 1 1 -5  71  15 o 74.199  3.2164  2995.71    258.489  3112.96    381.084  2895.79    351.788  75.294  4.6963  72.653  4.4925  2.641159       6.499115  
1 1 1 -5  71  16 o 69.551  3.3510  2634.82    252.434  2483.89    373.336  2761.93    342.628  67.071  5.1793  70.911  4.4842  -3.839943      6.850811  
1 1 1 -5  71  17 f 45.001  4.2686  1117.96    205.566  1293.52    303.401  968.981    279.496  48.034  5.9598  41.345  6.4521  6.688625       8.783452  
1 1 1 -5  71  18 o 54.547  4.1921  1639.34    245.774  1448.78    364.777  1797.77    332.602  50.529  6.8411  56.808  5.4734  -6.278530      8.761210  
1 1 1 -5  71  19 o 59.609  4.3180  1961.11    276.893  1499.90    416.700  2325.77    370.526  50.967  7.7964  64.634  5.3406  -13.66705      9.450169  
1 1 1 -5  71  20 o 82.012  3.6864  3683.48    327.454  3469.48    498.137  3846.32    434.531  78.717  5.8852  83.340  4.8347  -4.622330      7.616438  
1 1 1 -5  71  21 o 79.558  3.8931  3479.05    335.465  3630.33    538.399  3383.06    428.897  80.128  6.2532  77.885  5.1127  2.243690       8.077239  
1 1 1 -5  71  22 o 65.474  3.7165  2369.18    262.469  1833.54    514.162  2557.95    305.235  54.982  8.9412  67.865  4.1728  -12.88340      9.866953  
1 1 1 -5  71  23 o 65.749  2.7792  2370.73    197.912  2956.13    544.382  2281.57    212.450  70.654  7.2149  64.420  3.0449  6.234367       7.831131  
1 1 1 -5  71  24 o 76.524  3.5502  3244.54    294.255  3874.34    602.567  3047.32    337.195  80.861  6.9475  73.698  4.2422  7.163773       8.140332  
1 1 1 -5  71  25 o 23.090  7.7751  319.172    230.165  415.903    563.108  299.770    252.194  27.883  11.506  22.774  8.1131  5.109535       14.07890  
1 1 1 -5  71  26 o 45.557  5.0968  1204.85    247.181  1216.33    511.903  1201.35    282.269  40.814  11.228  44.968  5.9409  -4.154331      12.70303  
1 1 1 -5  71  27 o 30.426  8.9715  629.655    315.808  0.0000     0.0000   629.655    315.808  ?       ?       30.426  8.9715  0.000000       8.971502  
1 1 1 -5  72  1  o 85.864  2.8494  3998.50    264.992  3938.66    376.351  4057.33    373.179  85.155  4.0805  86.434  3.9862  -1.279160      5.704448  
1 1 1 -5  72  2  o 37.605  3.7594  775.399    151.069  794.069    217.797  758.088    209.720  37.803  5.4790  36.933  5.4024  0.8697891      7.694476  
1 1 1 -5  72  3  o 111.361 2.9495  6726.85    355.758  6271.74    501.262  7188.76    504.994  107.429 4.3080  115.038 4.0530  -7.608803      5.914843  
1 1 1 -5  72  4  o 104.465 2.9247  5919.75    330.913  5850.09    474.871  5985.52    461.385  103.754 4.2257  104.962 4.0584  -1.208252      5.858982  
1 1 1 -5  72  5  f 70.080  2.8907  2664.26    219.418  2514.64    311.701  2811.22    308.926  67.883  4.2610  71.821  3.9870  -3.938332      5.835443  
1 1 1 -5  72  6  o 79.028  2.8951  3388.42    247.804  3596.56    358.005  3196.97    343.349  81.346  4.0633  76.576  4.1553  4.769676       5.811792  
1 1 1 -5  72  7  o 41.125  3.8405  927.082    169.089  1059.26    252.031  818.889    228.024  43.743  5.4368  38.337  5.6620  5.406502       7.849610  
1 1 1 -5  72  8  o 103.585 2.9306  5823.62    328.797  5922.94    470.156  5728.54    459.988  104.348 4.1600  102.623 4.1384  1.724419       5.867847  
1 1 1 -5  72  9  o 129.383 3.1058  9089.90    435.225  9143.15    618.188  9037.56    612.849  129.586 4.4045  128.838 4.3918  0.7484436      6.219886  
1 1 1 -5  72  10 o 57.755  3.3669  1818.73    209.701  1989.20    319.269  1689.38    278.099  60.186  4.9413  55.477  4.6718  4.709534       6.800115  
1 1 1 -5  72  11 o 53.240  3.5434  1548.01    203.162  1522.86    309.113  1567.14    269.560  52.489  5.5200  53.399  4.7089  -0.9104156     7.255634  
1 1 1 -5  72  12 o 40.508  4.0478  902.597    175.217  1025.81    248.218  780.218    247.374  42.961  5.4576  37.187  6.3710  5.774406       8.388948  
1 1 1 -5  72  13 o 72.269  2.6343  2836.25    206.196  2845.33    384.361  2832.57    244.330  71.965  4.9614  72.181  3.1252  -0.2160416     5.863712  
1 1 1 -5  72  14 o 116.412 3.1313  7370.38    394.815  7342.33    569.274  7396.37    548.038  115.919 4.5342  116.386 4.3475  -0.4675827     6.281658  
1 1 1 -5  72  15 o 80.567  3.1829  3532.38    277.750  3315.58    407.097  3721.17    379.907  77.656  4.8646  82.424  4.2702  -4.767555      6.472936  
1 1 1 -5  72  16 o 129.025 3.2118  9066.16    448.838  8755.32    639.750  9367.49    629.872  126.399 4.6730  130.817 4.4455  -4.417412      6.449737  
1 1 1 -5  72  17 f 122.185 3.2500  8137.90    430.097  7993.17    626.372  8267.01    591.613  120.633 4.7940  122.802 4.4480  -2.169121      6.539621  
1 1 1 -5  72  18 o 165.279 3.6276  14928.47   649.392  15160.09   925.583  14703.92   911.341  165.795 5.1544  163.282 5.1531  2.512772       7.288508  
1 1 1 -5  72  19 o 172.471 3.7262  16284.05   696.065  15721.90   994.762  16823.35   974.325  168.439 5.4526  174.449 5.1566  -6.009796      7.504779  
1 1 1 -5  72  20 o 91.963  3.5104  4629.24    349.656  4595.51    517.038  4657.66    474.654  90.879  5.2755  91.706  4.7954  -0.8264084     7.129247  
1 1 1 -5  72  21 o 29.998  7.5006  535.469    243.057  418.376    366.943  627.005    324.437  27.568  9.7900  32.150  8.9745  -4.581734      13.28104  
1 1 1 -5  72  22 o 36.122  5.8061  755.230    219.458  764.229    429.369  752.048    255.329  34.526  10.527  35.617  6.8677  -1.090778      12.56899  
1 1 1 -5  72  23 o 24.215  7.6028  352.165    222.082  140.341    413.558  438.002    263.261  22.796  9.6627  26.685  8.2614  -3.888939      12.71289  
1 1 1 -5  72  24 o 31.414  6.7499  598.337    222.820  362.984    451.189  674.252    256.249  26.372  10.509  33.107  7.3389  -6.734823      12.81768  
1 1 1 -5  72  25 o 34.288  2.0947  645.005    77.417   915.833    486.835  637.978    78.415   35.732  11.262  34.091  2.1344  1.640270       11.46293  
1 1 1 -5  72  26 o 21.708  8.0976  263.933    255.453  0.0000     0.0000   263.933    255.453  ?       ?       21.708  8.0976  0.000000       8.097599  
1 1 1 -5  72  27 o 28.094  9.0242  532.134    311.428  0.0000     0.0000   532.134    311.428  ?       ?       28.094  9.0242  0.000000       9.024197  
1 1 1 -5  73  1  o 348.543 6.0967  66279.55   2301.57  65992.77   3256.54  66565.77   3253.28  346.474 8.6779  348.003 8.6311  -1.528778      12.23939  
1 1 1 -5  73  2  o 160.052 3.3973  13905.30   588.937  14151.38   833.166  13659.56   832.599  161.278 4.7696  158.438 4.8518  2.839996       6.803658  
1 1 1 -5  73  3  o 102.575 2.9173  5708.16    324.107  5243.32    451.031  6204.47    466.049  98.213  4.2400  106.856 4.0268  -8.642784      5.847491  
1 1 1 -5  73  4  o 121.104 3.0698  7958.69    402.665  7792.70    575.203  8118.20    563.874  119.702 4.4366  122.196 4.2604  -2.494537      6.150991  
1 1 1 -5  73  5  o 140.793 3.2319  10760.60   492.848  10398.26   697.061  11122.80   696.924  138.225 4.6560  142.983 4.5002  -4.757797      6.475340  
1 1 1 -5  73  6  o 146.814 3.2863  11703.53   522.566  11429.69   742.569  11972.18   735.520  144.883 4.7320  148.307 4.5789  -3.424011      6.584719  
1 1 1 -5  73  7  o 92.082  2.9360  4602.13    292.823  4497.82    421.285  4699.63    407.298  90.919  4.2781  92.960  4.0453  -2.040550      5.887816  
1 1 1 -5  73  8  f 56.552  3.1954  1742.37    194.926  1877.50    285.324  1624.10    266.929  58.541  4.5353  54.417  4.5712  4.124104       6.439370  
1 1 1 -5  73  9  o 84.203  2.9032  3849.37    264.773  3906.72    379.080  3794.74    369.976  84.720  4.1312  83.501  4.0908  1.218880       5.813941  
1 1 1 -5  73  10 f 69.237  3.0834  2603.87    231.226  2505.60    337.392  2690.90    317.518  67.634  4.6336  70.171  4.1970  -2.536507      6.251834  
1 1 1 -5  73  11 o 21.767  6.3074  265.525    157.310  408.465    236.126  151.453    210.938  26.868  7.7108  19.393  7.3324  7.475191       10.64055  
1 1 1 -5  73  12 o 134.763 3.1969  9873.51    466.626  10161.27   665.330  9594.95    654.619  136.452 4.5018  132.582 4.5586  3.869888       6.406817  
1 1 1 -5  73  13 o 71.002  3.2256  2742.06    248.058  2769.28    364.718  2718.63    338.375  71.015  4.7694  70.421  4.4594  0.5939789      6.529406  
1 1 1 -5  73  14 o 41.485  4.6326  952.504    204.600  1062.51    321.904  877.945    265.018  43.267  7.1166  39.412  6.4302  3.855469       9.591302  
1 1 1 -5  73  15 o 57.441  3.5324  1804.93    218.702  1937.16    315.919  1683.24    303.063  59.234  4.9701  55.152  5.1324  4.082645       7.144458  
1 1 1 -5  73  16 o 51.483  3.9432  1456.46    218.210  1338.42    324.071  1554.36    295.145  48.791  6.2780  52.918  5.2174  -4.126656      8.163015  
1 1 1 -5  73  17 o 94.894  2.7904  4901.15    286.802  5147.00    492.601  4775.08    352.755  96.801  4.6983  93.535  3.4820  3.265823       5.847971  
1 1 1 -5  73  18 o 33.392  6.9465  646.436    243.056  1073.96    401.247  398.637    305.479  42.589  8.9813  26.855  8.9575  15.73396       12.68465  
1 1 1 -5  73  19 f 36.448  2.3318  725.484    91.571   1026.35    426.020  710.910    93.762   41.262  9.6966  36.068  2.4141  5.194530       9.992568  
1 1 1 -5  73  20 o 17.577  7.3107  56.506     229.910  -97.3743   339.688  186.587    312.317  18.571  8.2903  22.239  8.7805  -3.667606      12.07587  
1 1 1 -5  73  21 o 29.837  7.5443  533.104    243.951  662.944    366.981  430.300    326.546  32.779  9.6728  27.313  9.2607  5.465446       13.39114  
1 1 1 -5  73  22 o 28.421  8.3872  496.901    275.913  632.686    504.467  438.944    329.577  31.801  11.459  27.142  9.3031  4.659216       14.75995  
1 1 1 -5  73  23 o 34.864  6.0893  716.888    221.573  424.172    437.993  817.564    256.866  27.447  10.521  37.014  6.6518  -9.566778      12.44710  
1 1 1 -5  73  24 o 25.234  7.4162  392.275    216.115  613.839    427.602  316.260    250.459  30.489  10.588  23.252  8.1020  7.236502       13.33254  
1 1 1 -5  73  25 o 26.664  7.7029  449.258    234.945  548.433    455.803  413.374    274.175  28.920  10.811  25.619  8.4833  3.300453       13.74199  
1 1 1 -5  73  26 o 25.832  8.2440  430.516    260.229  0.0000     0.0000   430.516    260.229  ?       ?       25.832  8.2440  0.000000       8.244024  
1 1 1 -5  73  27 o 16.476  7.4809  -77.3393   290.183  0.0000     0.0000   -77.3393   290.183  ?       ?       16.476  7.4809  0.000000       7.480876  
1 1 1 -5  74  1  o 42.230  3.4837  974.940    157.919  801.583    227.780  1135.39    219.134  37.920  5.7241  45.465  4.5095  -7.544910      7.287049  
1 1 1 -5  74  2  o 22.322  5.0412  282.109    118.999  276.913    174.381  286.639    162.796  22.375  6.6834  22.603  6.3741  -0.2286797     9.235656  
1 1 1 -5  74  3  o 89.886  2.8144  4383.47    273.994  3925.02    388.339  4837.91    386.639  84.959  4.2202  94.361  3.7831  -9.402000      5.667603  
1 1 1 -5  74  4  o 68.127  2.9643  2518.81    218.736  2440.67    307.985  2598.35    310.713  66.852  4.2759  68.998  4.1774  -2.146690      5.977763  
1 1 1 -5  74  5  o 75.126  2.9299  3063.00    238.403  3322.62    344.815  2825.24    329.979  78.059  4.0927  71.941  4.2537  6.117867       5.902902  
1 1 1 -5  74  6  o 88.575  2.8460  4257.81    273.032  4202.84    387.129  4312.21    385.129  87.905  4.0661  89.048  3.9931  -1.143311      5.698932  
1 1 1 -5  74  7  o 192.657 3.7667  20179.95   785.984  20527.12   1114.19  19836.04   1108.93  193.933 5.3044  190.622 5.3711  3.311218       7.548855  
1 1 1 -5  74  8  f 199.268 3.8912  21600.10   839.833  21873.58   1190.26  21328.96   1185.16  200.083 5.4924  197.562 5.5387  2.521362       7.800203  
1 1 1 -5  74  9  o 136.964 3.2116  10191.82   476.436  10003.91   680.596  10372.39   667.170  135.460 4.6388  137.966 4.4647  -2.506134      6.438377  
1 1 1 -5  74  10 o 62.649  3.2086  2138.48    216.993  2054.04    317.724  2212.30    297.065  61.159  4.8359  63.568  4.3406  -2.408863      6.498208  
1 1 1 -5  74  11 o 91.505  2.9944  4549.51    296.769  4087.49    427.490  4979.30    412.312  86.425  4.5832  95.609  3.9816  -9.184120      6.071183  
1 1 1 -5  74  12 o 182.494 3.7426  18138.52   739.763  17704.57   1052.25  18562.60   1040.22  179.746 5.4049  184.124 5.2161  -4.378311      7.511381  
1 1 1 -5  74  13 o 186.604 3.7830  18975.53   764.579  19223.26   1087.16  18733.09   1075.49  187.231 5.3610  184.823 5.3725  2.407440       7.589768  
1 1 1 -5  74  14 o 76.427  3.1346  3178.26    259.479  3267.68    372.161  3093.66    361.969  77.182  4.4710  75.092  4.4707  2.090286       6.322797  
1 1 1 -5  74  15 o 79.640  3.1253  3452.95    269.586  3204.09    386.710  3688.24    376.019  76.324  4.7008  82.020  4.2473  -5.695328      6.335366  
1 1 1 -5  74  16 o 78.005  2.7839  3310.80    235.205  3406.38    406.028  3262.52    288.550  78.622  4.7909  77.338  3.4448  1.283890       5.900809  
1 1 1 -5  74  17 o 74.544  3.5596  3035.14    287.396  3228.24    421.123  2866.81    393.192  76.370  5.1208  71.963  5.0772  4.407654       7.211105  
1 1 1 -5  74  18 o 44.023  5.0867  1083.39    238.075  1087.44    352.690  1079.99    322.685  43.241  7.8183  43.330  7.1233  -0.8924866E-01 10.57677  
1 1 1 -5  74  19 o 41.622  5.6555  979.357    248.354  1142.19    378.227  855.938    329.288  44.087  8.2234  38.036  8.2320  6.051144       11.63567  
1 1 1 -5  74  20 f 3.9931  1.9672  -65.0322   30.220   266.579    358.208  -67.4094   30.328   24.560  9.4880  3.9573  1.9536  20.60220       9.687012  
1 1 1 -5  74  21 o 38.041  6.5285  846.115    259.304  881.035    396.576  820.036    342.714  37.430  9.7021  36.483  8.7794  0.9475212      13.08467  
1 1 1 -5  74  22 o 78.717  4.1158  3456.01    349.688  3385.54    583.127  3495.58    436.978  75.708  7.1980  78.519  5.1671  -2.811058      8.860578  
1 1 1 -5  74  23 o 66.940  3.7302  2493.80    269.377  1896.98    531.175  2700.43    312.551  54.693  9.2998  69.433  4.1755  -14.74004      10.19414  
1 1 1 -5  74  24 o 53.894  4.4595  1645.38    257.973  1250.47    491.090  1795.89    303.172  42.714  10.651  55.977  5.0550  -13.26273      11.79007  
1 1 1 -5  74  25 f 30.452  6.9666  575.481    224.794  466.336    443.813  613.144    260.711  27.385  10.566  31.024  7.7743  -3.638880      13.11815  
1 1 1 -5  74  26 o 24.018  8.8335  350.547    301.993  0.0000     0.0000   350.547    301.993  ?       ?       24.018  8.8335  0.000000       8.833538  
1 1 1 -5  75  1  o 68.825  2.7878  2570.15    207.814  2599.56    296.882  2541.90    290.992  69.036  3.9874  68.268  3.9524  0.7680511      5.614343  
1 1 1 -5  75  2  o 84.095  2.7605  3837.02    251.433  4209.00    352.598  3452.18    358.640  88.011  3.6989  79.562  4.1764  8.449249       5.578916  
1 1 1 -5  75  3  o 63.327  2.9177  2176.42    200.122  2142.85    284.520  2209.28    281.534  62.624  4.2193  63.605  4.1086  -0.9819603     5.889249  
1 1 1 -5  75  4  o 88.430  2.9441  4244.39    281.982  4104.75    403.772  4377.33    393.975  86.854  4.2921  89.715  4.0545  -2.860420      5.904351  
1 1 1 -5  75  5  o 35.639  4.0387  699.615    153.144  732.390    219.470  668.512    213.799  36.172  5.7977  34.497  5.9362  1.675087       8.297756  
1 1 1 -5  75  6  o 25.792  5.2765  376.144    142.430  75.181     203.299  666.266    199.604  17.390  7.0106  34.507  5.5271  -17.11783      8.927370  
1 1 1 -5  75  7  o 166.979 3.5294  15155.24   638.311  14844.72   906.690  15460.36   898.778  164.937 5.0754  168.358 4.9289  -3.421600      7.074855  
1 1 1 -5  75  8  o 12.019  5.3680  -59.6632   142.612  -162.5680  230.916  3.7889     181.326  14.318  6.5660  15.026  6.3851  -0.7081728     9.158688  
1 1 1 -5  75  9  o 48.948  3.4509  1309.04    181.779  1341.83    265.772  1280.21    249.178  49.317  5.0466  48.197  4.8387  1.120583       6.991491  
1 1 1 -5  75  10 o 109.305 3.0221  6491.50    357.778  6318.82    512.984  6655.06    499.243  107.644 4.3999  110.509 4.1710  -2.865692      6.062750  
1 1 1 -5  75  11 o 89.329  2.8243  4335.04    273.259  3786.59    432.858  4698.43    352.344  83.100  4.8300  92.920  3.5010  -9.819534      5.965409  
1 1 1 -5  75  12 o 39.578  4.1517  863.621    175.320  1057.28    251.995  681.949    244.074  43.585  5.4577  34.587  6.7577  8.998489       8.686433  
1 1 1 -5  75  13 o 84.867  3.0389  3917.04    279.332  3821.78    401.648  4006.27    388.738  83.510  4.4567  85.665  4.1897  -2.155098      6.116848  
1 1 1 -5  75  14 o 63.349  3.3605  2191.94    229.755  2073.28    330.230  2303.25    319.864  61.283  5.0192  64.709  4.5937  -3.426105      6.804016  
1 1 1 -5  75  15 f 94.510  2.9506  4861.40    302.034  4974.79    469.755  4781.50    394.353  95.280  4.5520  93.559  3.8916  1.721489       5.988746  
1 1 1 -5  75  16 o 139.164 3.2983  10560.53   497.152  11338.36   722.445  9860.85    685.192  143.716 4.6412  133.994 4.7212  9.722061       6.620485  
1 1 1 -5  75  17 o 57.676  4.2493  1834.17    263.581  1845.90    401.317  1825.27    349.543  57.156  6.6043  57.125  5.7265  0.3099442E-01  8.741267  
1 1 1 -5  75  18 o 48.436  1.9995  1274.43    104.895  762.391    354.199  1323.66    109.822  35.721  9.1226  49.358  2.0543  -13.63711      9.351004  
1 1 1 -5  75  19 o 61.019  4.0924  2055.51    268.901  1958.05    397.509  2137.74    365.118  58.770  6.3455  61.763  5.5161  -2.992565      8.407888  
1 1 1 -5  75  20 o 86.059  3.4675  4064.25    323.203  3999.00    499.242  4111.32    424.061  84.371  5.4931  86.028  4.5675  -1.657021      7.143965  
1 1 1 -5  75  21 o 135.758 3.5127  10156.39   516.512  9984.79    755.508  10306.98   707.747  133.207 5.2365  135.734 4.8141  -2.527863      7.113157  
1 1 1 -5  75  22 o 24.059  8.2461  336.182    258.941  100.389    416.208  485.084    330.746  22.374  9.5945  28.043  9.3190  -5.668209      13.37527  
1 1 1 -5  75  23 o 48.401  5.0397  1340.12    260.323  1667.03    555.187  1247.99    294.731  49.983  10.585  46.168  6.0388  3.815170       12.18622  
1 1 1 -5  75  24 f 19.801  2.6162  218.944    54.736   532.664    434.768  213.892    55.175   28.764  10.596  19.555  2.6752  9.209135       10.92848  
1 1 1 -5  75  25 o 53.457  4.4156  1627.15    253.372  1657.79    503.398  1616.75    293.221  49.724  9.6954  52.799  5.1946  -3.075451      10.99934  
1 1 1 -5  75  26 o 48.837  6.6479  1450.24    342.503  0.0000     0.0000   1450.24    342.503  ?       ?       48.837  6.6479  0.000000       6.647857  
1 1 1 -5  76  1  o 217.346 4.1173  25696.51   969.249  25846.01   1372.70  25547.87   1368.76  217.494 5.8272  216.230 5.8444  1.263702       8.253057  
1 1 1 -5  76  2  o 126.807 3.0313  8729.41    416.333  8700.94    590.223  8757.60    587.356  126.443 4.3097  126.859 4.2747  -0.4160385     6.070191  
1 1 1 -5  76  3  o 65.596  2.8967  2335.50    205.805  2310.33    292.708  2360.11    289.425  65.030  4.1779  65.742  4.0849  -0.7122498     5.843014  
1 1 1 -5  76  4  f 82.079  2.8826  3656.88    256.267  3576.62    360.115  3739.22    364.763  80.973  4.1197  82.904  4.0622  -1.931068      5.785641  
1 1 1 -5  76  5  f 127.188 3.0751  8784.40    423.620  8492.08    600.591  9073.82    597.597  124.870 4.4407  129.103 4.2737  -4.233017      6.163111  
1 1 1 -5  76  6  o 107.910 2.9373  6322.32    343.308  6274.38    487.052  6369.66    483.985  107.358 4.1886  108.178 4.1307  -0.8197403     5.882790  
1 1 1 -5  76  7  o 28.380  5.0329  452.460    149.037  394.056    216.569  505.003    205.414  26.364  7.3228  29.772  6.5482  -3.408312      9.823565  
1 1 1 -5  76  8  o 216.276 4.1181  25473.67   964.658  26210.04   1367.04  24743.33   1361.44  218.792 5.7687  212.523 5.9146  6.269287       8.261986  
1 1 1 -5  76  9  o 163.473 3.4702  14534.12   614.428  14393.94   871.569  14672.62   866.320  162.323 4.9574  163.909 4.8798  -1.585846      6.956176  
1 1 1 -5  76  10 o 185.570 3.7340  18749.52   750.508  18600.14   1062.58  18898.23   1060.18  184.320 5.3225  185.812 5.2679  -1.491684      7.488652  
1 1 1 -5  76  11 o 26.255  5.7311  392.713    158.402  432.624    228.551  355.821    219.738  27.497  7.4769  25.167  7.4990  2.330318       10.58959  
1 1 1 -5  76  12 o 110.884 3.0229  6685.60    363.043  6256.65    514.429  7111.21    512.417  107.018 4.4381  114.156 4.1443  -7.138153      6.072287  
1 1 1 -5  76  13 o 25.431  6.4064  370.973    176.374  220.530    278.935  471.193    227.664  22.562  8.4527  28.586  7.3210  -6.023796      11.18234  
1 1 1 -5  76  14 o 75.878  3.3044  3136.35    271.566  3328.18    410.162  2986.63    362.367  77.744  4.8960  73.713  4.5612  4.031105       6.691423  
1 1 1 -5  76  15 o 54.401  3.9529  1626.08    231.320  1516.21    360.104  1703.26    301.829  51.867  6.5566  55.430  5.0841  -3.562672      8.296792  
1 1 1 -5  76  16 o 64.449  3.6272  2276.20    252.165  2349.17    398.254  2227.37    325.791  64.919  5.7224  63.479  4.7735  1.440784       7.451991  
1 1 1 -5  76  17 o 80.770  3.6955  3568.54    323.291  3276.88    504.751  3771.41    420.974  76.504  6.1433  82.646  4.7225  -6.141457      7.748640  
1 1 1 -5  76  18 o 49.897  4.7535  1384.83    253.792  1253.04    388.690  1482.78    335.081  46.331  8.0371  51.205  6.1657  -4.873932      10.12968  
1 1 1 -5  76  19 o 75.206  3.6710  3102.97    299.023  2968.48    441.191  3217.24    406.681  72.724  5.6454  76.023  4.9663  -3.299187      7.518980  
1 1 1 -5  76  20 o 74.383  3.8482  3058.60    308.966  3168.16    464.632  2971.75    413.681  74.766  5.7826  72.662  5.2928  2.104416       7.839133  
1 1 1 -5  76  21 o 15.333  2.0724  130.445    33.535   188.342    421.444  130.076    33.642   23.805  9.8993  15.309  2.0829  8.495611       10.11604  
1 1 1 -5  76  22 o 65.853  4.5214  2439.75    320.535  2407.17    529.810  2458.55    402.568  63.069  7.9314  65.371  5.7440  -2.302387      9.792875  
1 1 1 -5  76  23 o 48.871  4.6143  1355.89    241.354  1385.41    476.393  1345.70    279.940  45.938  9.8689  48.256  5.4517  -2.317730      11.27457  
1 1 1 -5  76  24 o 48.616  4.6935  1350.93    244.065  1894.09    485.983  1167.73    282.239  54.721  8.4736  44.433  6.0197  10.28856       10.39412  
1 1 1 -5  76  25 o ?       ?       -628.9475  34.790   229.561    422.387  -634.8116  34.909   23.403  9.8340  ?       ?       0.000000       9.834032  
1 1 1 -5  76  26 o 21.529  8.5682  228.094    299.587  0.0000     0.0000   228.094    299.587  ?       ?       21.529  8.5682  0.000000       8.568165  
1 1 1 -5  77  1  o 29.129  4.3199  471.801    132.159  427.768    185.682  517.008    188.143  27.409  6.3751  30.233  5.9574  -2.824442      8.725415  
1 1 1 -5  77  2  o 127.105 3.0352  8771.99    417.854  8432.62    590.622  9112.07    591.248  124.446 4.3819  129.388 4.2190  -4.942047      6.082786  
1 1 1 -5  77  3  o 63.816  2.9780  2211.10    205.838  2275.96    286.897  2142.30    295.490  64.540  4.1257  62.571  4.3879  1.969082       6.022903  
1 1 1 -5  77  4  o 117.954 3.0126  7554.75    384.882  7211.91    542.563  7902.04    546.063  115.080 4.3529  120.486 4.1844  -5.405724      6.037989  
1 1 1 -5  77  5  o 152.701 3.3436  12670.38   553.008  12438.15   783.517  12900.90   780.635  151.028 4.7898  153.835 4.6852  -2.806671      6.700233  
1 1 1 -5  77  6  o 117.647 3.0061  7516.93    383.052  7586.67    543.136  7447.90    540.308  118.024 4.2488  116.938 4.2660  1.087044       6.020863  
1 1 1 -5  77  7  o 94.365  2.9011  4835.85    296.514  4649.46    422.576  5016.62    416.165  92.384  4.2232  95.991  4.0028  -3.607246      5.818733  
1 1 1 -5  77  8  o 113.168 2.9966  6957.72    367.300  7168.39    525.915  6757.12    513.201  114.687 4.2338  111.345 4.2555  3.342171       6.002840  
1 1 1 -5  77  9  o 91.576  2.9321  4556.42    290.827  4575.46    417.168  4538.42    405.657  91.609  4.2044  91.252  4.1044  0.3571777      5.875611  
1 1 1 -5  77  10 o 126.597 3.1128  8713.27    426.823  8831.01    605.848  8597.24    601.414  127.204 4.3974  125.503 4.4243  1.700905       6.237931  
1 1 1 -5  77  11 o 94.308  2.9551  4834.77    301.848  4739.16    428.948  4928.56    424.836  93.184  4.2500  95.049  4.1267  -1.864815      5.923910  
1 1 1 -5  77  12 o 140.992 3.2539  10819.25   496.895  10064.20   703.440  11571.19   701.993  135.590 4.7899  145.493 4.4547  -9.902908      6.541257  
1 1 1 -5  77  13 o 167.981 3.6562  15387.14   665.215  15863.17   906.157  14830.78   979.646  170.086 4.9189  164.200 5.5084  5.885941       7.384977  
1 1 1 -5  77  14 o 93.048  3.1434  4715.47    316.797  4644.71    461.157  4778.70    435.943  91.927  4.6467  93.438  4.3076  -1.511475      6.336209  
1 1 1 -5  77  15 o 89.940  3.1627  4408.26    308.088  4447.91    451.946  4373.84    421.092  89.900  4.6575  89.339  4.3518  0.5612793      6.374156  
1 1 1 -5  77  16 o 46.112  4.8521  1182.81    238.702  1051.24    380.820  1267.96    306.354  42.293  8.6062  47.410  6.1080  -5.116856      10.55340  
1 1 1 -5  77  17 o 25.754  7.4130  383.420    217.950  80.113     333.985  608.387    287.638  21.061  8.7898  32.106  8.2325  -11.04479      12.04310  
1 1 1 -5  77  18 o 43.774  5.6038  1082.04    259.586  912.727    426.844  1181.42    327.008  38.650  10.089  45.328  6.8766  -6.678055      12.20928  
1 1 1 -5  77  19 o 56.785  2.4346  1757.32    149.738  1801.98    408.151  1750.38    160.961  55.928  6.8831  56.644  2.6236  -0.7151985     7.366127  
1 1 1 -5  77  20 o 28.488  7.9940  492.812    256.715  597.658    447.379  441.343    313.456  31.230  10.831  27.271  9.0726  3.959551       14.12906  
1 1 1 -5  77  21 o 31.792  7.5606  617.727    256.537  490.581    395.292  710.244    337.193  28.543  10.158  33.479  9.0727  -4.936607      13.62012  
1 1 1 -5  77  22 f 34.172  7.5414  716.820    271.645  524.363    440.691  834.757    344.978  29.197  10.681  36.218  8.8657  -7.021446      13.88119  
1 1 1 -5  77  23 o 26.360  7.3737  430.165    218.776  855.682    433.643  284.880    253.387  35.370  10.533  22.497  8.1191  12.87284       13.29940  
1 1 1 -5  77  24 o 64.089  4.0491  2312.88    279.620  2283.44    614.462  2320.57    314.019  58.381  10.082  63.864  4.5699  -5.482933      11.06930  
1 1 1 -5  77  25 o 87.217  4.0285  4278.31    380.551  0.0000     0.0000   4278.31    380.551  ?       ?       87.217  4.0285  0.000000       4.028461  
1 1 1 -5  78  1  o 120.960 2.9913  7944.69    391.893  7781.25    558.974  8102.69    549.587  119.539 4.3173  122.007 4.1589  -2.468262      5.994652  
1 1 1 -5  78  2  o 127.019 3.0515  8761.61    419.812  9049.60    594.145  8474.48    593.265  128.921 4.2550  124.735 4.3913  4.185638       6.114573  
1 1 1 -5  78  3  o 75.742  2.8598  3114.49    234.605  2971.40    333.693  3254.35    329.902  73.759  4.1943  77.236  3.9569  -3.477562      5.766201  
1 1 1 -5  78  4  o 31.312  4.3246  544.003    142.753  792.342    202.168  297.058    201.600  37.770  5.0699  23.280  7.2331  14.49000       8.832981  
1 1 1 -5  78  5  o 29.722  4.7169  493.472    146.773  363.519    210.802  615.744    204.478  25.392  7.2852  33.046  5.9309  -7.654156      9.394102  
1 1 1 -5  78  6  o 32.331  4.4637  580.433    152.139  447.325    216.275  710.824    214.057  27.970  7.1205  35.595  5.7481  -7.624565      9.151097  
1 1 1 -5  78  7  o 59.562  3.1785  1933.62    204.313  1982.17    287.784  1884.28    290.114  60.125  4.4508  58.587  4.6091  1.538212       6.407325  
1 1 1 -5  78  8  o 37.526  4.0905  776.358    163.560  956.212    241.351  623.608    222.424  41.430  5.5156  33.132  6.4302  8.298512       8.471635  
1 1 1 -5  78  9  o 108.026 3.0215  6342.61    353.520  6086.89    510.482  6578.27    490.051  105.600 4.4632  109.844 4.1190  -4.243706      6.073420  
1 1 1 -5  78  10 o 211.253 4.0770  24338.70   932.858  24021.08   1320.39  24655.24   1318.13  209.107 5.8299  211.894 5.7434  -2.786606      8.183825  
1 1 1 -5  78  11 o 136.348 3.2171  10115.66   475.103  9914.53    673.435  10314.97   670.370  134.649 4.6177  137.373 4.5055  -2.724182      6.451526  
1 1 1 -5  78  12 o 16.153  6.3232  87.892     160.719  285.904    243.790  -64.3213   213.745  23.442  8.0014  15.017  6.6470  8.425392       10.40217  
1 1 1 -5  78  13 o 199.651 3.9375  21771.29   851.454  21620.91   1207.32  21920.10   1200.98  198.087 5.6273  199.494 5.5582  -1.407654      7.909478  
1 1 1 -5  78  14 o 77.322  3.2429  3258.21    271.586  3368.70    406.644  3169.24    364.899  78.182  4.8258  75.921  4.4571  2.260666       6.569153  
1 1 1 -5  78  15 o 65.165  3.4710  2324.57    244.100  2418.68    368.108  2250.70    326.112  66.047  5.1875  63.820  4.7518  2.227062       7.034935  
1 1 1 -5  78  16 o 22.285  7.6747  259.701    224.423  214.339    399.800  280.570    271.177  24.765  9.8847  23.594  8.4121  1.171101       12.97962  
1 1 1 -5  78  17 o 89.478  3.3598  4375.23    325.617  4330.62    483.294  4412.31    440.639  88.379  5.0700  89.407  4.5655  -1.027679      6.822723  
1 1 1 -5  78  18 o 88.076  3.4569  4248.66    329.773  4427.64    482.737  4092.05    451.561  89.231  5.0152  85.834  4.8773  3.397400       6.995768  
1 1 1 -5  78  19 o 31.399  7.5291  590.627    252.742  688.904    424.233  536.552    314.684  33.289  10.516  29.761  8.9982  3.528019       13.84004  
1 1 1 -5  78  20 o 67.596  4.1125  2544.96    299.659  2593.29    469.658  2511.78    389.164  66.839  6.5726  66.464  5.4541  0.3748016      8.540813  
1 1 1 -5  78  21 o 23.104  8.0457  302.205    246.974  98.776     385.708  443.572    321.533  21.769  9.2828  27.088  9.1893  -5.319412      13.06196  
1 1 1 -5  78  22 o 21.756  8.1555  244.468    259.736  55.933     419.177  361.969    330.920  21.705  9.4672  25.186  9.2494  -3.480625      13.23547  
1 1 1 -5  78  23 o 18.694  7.2876  155.450    212.815  189.904    420.649  143.598    246.719  23.244  9.7930  19.193  7.7282  4.051435       12.47510  
1 1 1 -5  78  24 f 21.874  7.5894  281.635    219.654  58.241     435.086  358.049    254.463  21.577  9.5205  24.116  8.1749  -2.539265      12.54868  
1 1 1 -5  78  25 o 17.986  7.5905  81.833     253.412  0.0000     0.0000   81.833     253.412  ?       ?       17.986  7.5905  0.000000       7.590520  
1 1 1 -5  79  1  o 38.846  3.5588  827.306    148.071  751.541    216.721  893.638    202.782  36.655  5.6395  40.205  4.7484  -3.549683      7.372306  
1 1 1 -5  79  2  o 101.552 2.8297  5599.22    311.244  5664.06    445.336  5537.30    435.171  102.004 4.0309  100.862 3.9835  1.141792       5.667102  
1 1 1 -5  79  3  o 70.728  2.8971  2716.48    221.937  2471.53    310.471  2972.45    317.375  67.221  4.2866  73.790  3.9859  -6.568642      5.853398  
1 1 1 -5  79  4  o 107.873 2.9283  6319.88    342.135  5975.76    484.742  6661.49    482.968  104.726 4.2735  110.608 4.0314  -5.882591      5.874986  
1 1 1 -5  79  5  o 18.887  6.0829  190.553    141.430  196.350    213.283  186.003    188.945  20.598  7.4465  19.748  7.0238  0.8494854      10.23642  
1 1 1 -5  79  6  o 43.264  3.7269  1026.22    172.938  1074.64    255.234  985.132    235.143  43.979  5.4769  42.121  5.2696  1.858322       7.600364  
1 1 1 -5  79  7  o 75.601  2.9684  3105.54    243.064  3087.79    342.413  3123.58    345.092  75.140  4.2245  75.574  4.2330  -0.4342575     5.980342  
1 1 1 -5  79  8  o 88.506  2.8987  4256.20    277.872  4208.00    395.955  4302.97    390.053  87.849  4.1614  88.851  4.0532  -1.001328      5.809060  
1 1 1 -5  79  9  o 115.438 3.0289  7244.36    378.711  7302.03    540.485  7188.75    530.802  115.668 4.3142  114.777 4.2698  0.8916245      6.069880  
1 1 1 -5  79  10 o 49.678  3.4454  1349.97    184.238  1275.75    290.650  1399.83    238.208  47.860  5.7203  50.435  4.4049  -2.574543      7.219750  
1 1 1 -5  79  11 o 46.222  3.8738  1173.45    192.145  988.611    285.764  1325.97    259.586  41.830  6.5199  48.947  4.9653  -7.116741      8.195339  
1 1 1 -5  79  12 o 29.948  5.3456  507.294    167.033  549.678    241.393  468.357    231.365  30.824  7.3364  28.472  7.4255  2.352678       10.43839  
1 1 1 -5  79  13 o 72.003  3.3188  2825.55    258.826  3026.31    400.504  2681.57    339.167  74.053  5.0231  69.818  4.5092  4.234772       6.750160  
1 1 1 -5  79  14 o 90.288  3.1330  4442.26    306.379  4596.99    457.202  4316.14    412.769  91.399  4.6336  88.756  4.2938  2.642937       6.317150  
1 1 1 -5  79  15 o 124.579 3.2507  8466.36    438.620  9264.31    654.085  7814.33    591.266  129.824 4.6517  119.260 4.5774  10.56374       6.526127  
1 1 1 -5  79  16 o 46.731  4.8055  1214.94    239.759  1542.55    384.936  1007.29    306.465  52.010  7.0120  41.864  7.0065  10.14655       9.912585  
1 1 1 -5  79  17 o 98.553  3.3597  5311.43    358.621  5081.74    543.634  5488.38    477.174  95.589  5.2712  99.830  4.4131  -4.241791      6.874689  
1 1 1 -5  79  18 o 66.413  3.9150  2435.27    280.372  2515.36    414.479  2367.70    380.685  66.757  5.7898  64.897  5.4668  1.859772       7.962880  
1 1 1 -5  79  19 o 19.820  7.5689  174.965    226.167  350.185    342.639  39.678     301.073  25.593  9.4098  19.142  8.1830  6.450708       12.47017  
1 1 1 -5  79  20 o ?       ?       -289.0502  32.731   14.817     353.667  -291.6754  32.873   19.974  8.7044  ?       ?       0.000000       8.704419  
1 1 1 -5  79  21 o 61.994  4.2974  2154.78    286.775  2303.61    441.734  2046.36    377.030  62.706  6.6033  59.506  5.9288  3.200085       8.874318  
1 1 1 -5  79  22 f 39.191  7.2848  935.132    297.842  920.417    545.767  941.373    355.437  36.035  11.971  38.444  8.7348  -2.408558      14.81866  
1 1 1 -5  79  23 o 54.386  4.3283  1673.76    252.847  1685.36    502.052  1669.82    292.674  50.777  9.4774  53.896  5.0734  -3.118855      10.74991  
1 1 1 -5  79  24 o 58.218  2.7045  1866.27    170.536  2370.16    524.804  1806.78    180.322  61.427  8.0845  57.133  2.9238  4.293289       8.596920  
1 1 1 -5  80  1  o 39.771  3.4361  866.395    146.562  727.787    206.291  1007.67    208.264  36.086  5.4477  42.746  4.5691  -6.660175      7.110154  
1 1 1 -5  80  2  o 36.558  3.6512  734.228    142.637  720.891    214.559  744.790    190.940  35.854  5.7171  36.608  4.9418  -0.7543106     7.556909  
1 1 1 -5  80  3  o 136.090 3.1613  10065.03   465.968  9985.37    658.665  10144.84   659.291  135.308 4.4944  136.391 4.4629  -1.082916      6.333829  
1 1 1 -5  80  4  o 71.391  2.8779  2768.31    222.526  2793.16    315.769  2743.80    313.640  71.486  4.0953  70.848  4.1048  0.6380539      5.798393  
1 1 1 -5  80  5  o 170.808 3.5635  15874.21   659.248  15671.66   931.357  16077.60   933.281  169.307 5.0789  171.503 5.0242  -2.196121      7.144123  
1 1 1 -5  80  6  o 176.453 3.6325  16946.26   694.227  17231.78   985.650  16665.17   977.965  177.493 5.1271  174.535 5.1733  2.958176       7.283559  
1 1 1 -5  80  7  o 153.325 3.3615  12788.13   558.232  13032.25   795.431  12551.21   783.621  154.437 4.7553  151.555 4.7738  2.882309       6.738141  
1 1 1 -5  80  8  o 120.754 3.1177  7928.67    407.766  7951.09    585.140  7907.51    568.555  120.666 4.4772  120.360 4.3613  0.3056259      6.250329  
1 1 1 -5  80  9  o 107.772 3.0264  6315.73    353.271  6478.83    511.009  6166.42    488.923  108.923 4.3315  106.282 4.2473  2.641571       6.066408  
1 1 1 -5  80  10 o 123.758 3.1037  8332.70    416.031  8456.17    592.253  8212.42    584.536  124.385 4.3961  122.578 4.4028  1.807526       6.221776  
1 1 1 -5  80  11 o 112.727 3.0422  6914.67    371.432  6932.59    527.867  6897.09    522.739  112.599 4.3283  112.318 4.2970  0.2808914      6.099085  
1 1 1 -5  80  12 o 101.060 3.0083  5559.00    329.288  5442.83    468.355  5672.56    463.058  99.727  4.3360  101.843 4.1979  -2.116234      6.035182  
1 1 1 -5  80  13 o 89.165  3.1280  4331.15    302.086  4410.11    451.490  4267.15    406.475  89.532  4.6721  88.283  4.2510  1.248924       6.316560  
1 1 1 -5  80  14 o 73.031  3.3535  2910.10    265.264  2729.29    396.172  3057.04    357.137  70.162  5.2514  74.515  4.4453  -4.352905      6.880225  
1 1 1 -5  80  15 o 40.252  2.2368  883.243    97.134   799.911    412.953  888.123    99.938   36.526  10.100  40.356  2.2959  -3.830479      10.35735  
1 1 1 -5  80  16 o 80.346  3.4749  3529.86    302.397  3223.41    451.543  3779.07    407.194  76.040  5.5203  82.727  4.5621  -6.687691      7.161433  
1 1 1 -5  80  17 o 71.504  3.8776  2816.05    299.188  2958.02    489.843  2731.57    377.858  72.312  6.3177  70.028  5.0150  2.284325       8.066215  
1 1 1 -5  80  18 o 35.211  6.4930  723.662    238.499  818.071    376.888  660.605    308.016  36.329  9.4784  32.933  8.5573  3.396664       12.76980  
1 1 1 -5  80  19 o 56.985  4.3744  1816.39    267.928  1901.14    400.534  1747.76    360.444  57.195  6.5860  55.053  6.1500  2.141792       9.010950  
1 1 1 -5  80  20 o 22.940  7.9016  298.132    237.890  572.375    372.079  108.521    309.384  30.189  9.8771  20.293  8.4639  9.895992       13.00745  
1 1 1 -5  80  21 o 16.315  7.1027  -2.5350    234.952  425.202    369.266  -293.4843  304.551  26.881  9.7859  14.946  7.0760  11.93416       12.07612  
1 1 1 -5  80  22 o 39.291  6.8096  930.060    279.287  790.920    465.476  1008.33    349.110  33.876  11.046  40.004  8.3281  -6.127209      13.83341  
1 1 1 -5  80  23 o 41.506  5.4076  1004.52    237.324  1036.24    474.187  993.924    274.128  38.304  10.906  40.709  6.4308  -2.405098      12.66046  
1 1 1 -5  80  24 o 45.608  5.0299  1202.85    244.336  1000.46    486.387  1271.17    282.579  37.144  11.177  46.473  5.7357  -9.329369      12.56287  
1 1 1 -5  81  1  o 104.698 2.8733  5954.13    325.823  5672.15    461.141  6235.24    460.427  102.019 4.1733  106.995 3.9731  -4.975616      5.762116  
1 1 1 -5  81  2  o 69.309  2.3745  2606.81    178.253  2666.39    221.146  2496.31    301.178  70.060  2.9143  67.558  4.1359  2.501579       5.059560  
1 1 1 -5  81  3  o 37.695  3.8774  781.821    156.049  703.068    215.944  867.893    225.755  35.359  5.8427  39.462  5.4255  -4.102493      7.973228  
1 1 1 -5  81  4  o 19.507  5.8126  211.293    132.017  115.925    186.917  306.221    186.485  17.787  6.8588  23.378  6.8943  -5.590506      9.724942  
1 1 1 -5  81  5  o 110.633 2.9815  6651.25    357.268  6415.10    507.445  6883.36    503.090  108.448 4.3201  112.370 4.1336  -3.922340      5.979128  
1 1 1 -5  81  6  o 96.995  2.9160  5112.35    306.343  5078.84    434.558  5145.44    431.922  96.508  4.1573  97.147  4.1049  -0.6390762     5.842429  
1 1 1 -5  81  7  o 139.141 3.2173  10529.90   484.862  10653.47   692.364  10410.97   679.221  139.647 4.5775  138.058 4.5423  1.589340       6.448776  
1 1 1 -5  81  8  o 172.821 3.5918  16267.55   672.326  16309.49   953.966  16226.16   947.690  172.542 5.1047  172.109 5.0838  0.4333496      7.204374  
1 1 1 -5  81  9  o 142.891 3.2808  11113.77   507.762  11104.58   726.296  11122.54   710.143  142.450 4.7074  142.600 4.5979  -0.1492310     6.580274  
1 1 1 -5  81  10 o 109.941 3.0185  6576.02    359.428  6366.78    512.013  6779.30    504.683  107.903 4.3811  111.391 4.1831  -3.488304      6.057397  
1 1 1 -5  81  11 o 83.764  2.9986  3818.47    272.044  3649.62    389.097  3979.94    380.505  81.541  4.4222  85.332  4.1170  -3.791199      6.041985  
1 1 1 -5  81  12 o 123.003 3.1264  8240.57    416.516  8398.98    596.277  8089.61    582.066  123.819 4.4462  121.525 4.4222  2.294296       6.270937  
1 1 1 -5  81  13 o 71.987  3.3447  2826.59    260.787  2882.76    390.026  2781.17    350.715  72.211  5.0179  71.042  4.5824  1.168846       6.795410  
1 1 1 -5  81  14 o 19.735  1.6437  212.773    34.816   328.419    270.704  210.829    35.107   24.777  8.4316  19.642  1.6659  5.134630       8.594628  
1 1 1 -5  81  15 o 92.783  3.3810  4702.15    339.766  5163.44    510.477  4335.26    455.254  96.661  4.8918  88.598  4.7616  8.063171       6.826651  
1 1 1 -5  81  16 o 111.025 3.3001  6738.46    396.842  6817.74    582.042  6669.60    542.482  111.081 4.8378  109.992 4.5536  1.088615       6.643742  
1 1 1 -5  81  17 o 49.775  2.4551  1350.31    132.359  1273.58    403.966  1359.54    140.092  46.236  8.3751  49.859  2.6032  -3.623268      8.770355  
1 1 1 -5  81  18 o 36.178  6.2223  762.219    235.027  1255.59    381.800  461.198    298.228  45.775  7.9916  27.740  8.8225  18.03508       11.90390  
1 1 1 -5  81  19 o 36.824  6.4899  798.592    249.383  711.951    388.697  859.209    325.120  33.376  9.9802  37.393  8.2490  -4.016571      12.94795  
1 1 1 -5  81  20 o 34.170  7.1002  704.037    254.195  849.900    404.827  609.094    326.609  36.134  10.003  31.037  9.1157  5.097248       13.53356  
1 1 1 -5  81  21 o 48.498  5.5477  1358.10    286.173  1836.26    494.380  1117.15    350.946  54.255  8.7075  42.622  7.8928  11.63339       11.75231  
1 1 1 -5  81  22 o 27.640  8.2011  482.675    263.226  533.512    448.089  455.888    325.265  28.986  10.742  26.969  9.2420  2.017408       14.17058  
1 1 1 -5  81  23 o 16.966  7.0628  77.000     214.862  -249.5438  432.864  183.760    247.506  18.502  8.6572  19.947  7.8353  -1.445736      11.67642  
1 1 1 -5  81  24 o 27.731  8.5397  498.026    281.721  0.0000     0.0000   498.026    281.721  ?       ?       27.731  8.5397  0.000000       8.539675  
1 1 1 -5  82  1  o 41.240  3.3612  931.054    148.828  946.589    211.829  915.909    209.145  41.354  4.8198  40.664  4.8439  0.6891823      6.833274  
1 1 1 -5  82  2  o 22.290  5.4220  282.849    129.644  58.051     177.297  541.161    190.055  16.039  6.5183  30.910  5.8920  -14.87085      8.786577  
1 1 1 -5  82  3  o 53.347  3.1091  1552.18    178.866  1591.60    254.887  1513.93    251.066  53.833  4.4102  52.486  4.4587  1.347328       6.271348  
1 1 1 -5  82  4  o 58.155  3.0521  1843.33    191.574  1781.68    272.080  1903.96    269.789  56.966  4.4449  58.932  4.2553  -1.966072      6.153451  
1 1 1 -5  82  5  o 58.722  3.0913  1879.84    195.919  1703.34    277.714  2054.73    276.435  55.649  4.6502  61.237  4.1931  -5.587955      6.261478  
1 1 1 -5  82  6  o 26.932  5.3174  411.048    149.604  256.817    212.869  561.576    210.298  22.194  7.4772  31.381  6.4041  -9.187031      9.844857  
1 1 1 -5  82  7  o 85.964  2.9324  4017.32    273.027  4057.49    391.118  3979.15    381.306  86.221  4.1882  85.394  4.1226  0.8261108      5.876816  
1 1 1 -5  82  8  o 64.318  3.1467  2250.74    219.208  2203.33    308.615  2299.02    311.419  63.322  4.5297  64.701  4.4713  -1.378963      6.364858  
1 1 1 -5  82  9  o 51.874  3.5282  1473.07    197.054  1630.53    295.793  1347.43    264.225  54.289  5.0899  49.324  5.0157  4.964848       7.145916  
1 1 1 -5  82  10 o 92.545  2.9777  4660.36    298.478  4346.89    427.264  4959.15    417.142  89.123  4.4262  95.275  4.0423  -6.152321      5.994347  
1 1 1 -5  82  11 o 102.603 3.0373  5731.24    337.531  6155.94    487.298  5339.56    467.970  106.072 4.2416  98.756  4.3751  7.315720       6.093601  
1 1 1 -5  82  12 o 66.352  3.3574  2407.04    240.501  2641.26    363.986  2225.54    320.405  69.158  4.8909  63.505  4.6914  5.652454       6.777179  
1 1 1 -5  82  13 o 149.480 3.4505  12196.58   558.641  12788.66   778.237  11567.18   802.391  152.548 4.7101  144.892 5.1129  7.655899       6.951804  
1 1 1 -5  82  14 o 73.889  3.3375  2980.17    267.102  3155.18    396.850  2835.23    361.148  75.542  4.8763  71.653  4.6792  3.889282       6.758224  
1 1 1 -5  82  15 o 63.900  3.9753  2248.07    273.768  2218.37    420.465  2269.92    360.703  62.722  6.2734  63.822  5.2650  -1.100342      8.190007  
1 1 1 -5  82  16 o 23.418  7.7074  305.519    226.442  782.213    385.413  54.222     279.834  35.790  9.7001  19.020  7.9990  16.76992       12.57281  
1 1 1 -5  82  17 o 71.609  2.8827  2804.21    223.587  3027.10    441.362  2727.27    259.324  73.229  5.6073  70.487  3.3967  2.741608       6.555882  
1 1 1 -5  82  18 o 36.606  6.5165  787.599    248.895  1311.74    435.846  533.953    303.195  46.057  9.0599  29.468  8.8151  16.58896       12.64070  
1 1 1 -5  82  19 o 52.005  2.4276  1477.68    136.738  1473.11    463.378  1478.11    143.111  48.639  9.1313  51.991  2.5414  -3.351707      9.478362  
1 1 1 -5  82  20 o 22.823  8.2231  286.173    259.777  660.141    459.069  110.012    315.076  31.885  10.977  20.365  8.5217  11.51935       13.89644  
1 1 1 -5  82  21 o 23.256  8.0893  314.028    249.624  519.709    401.106  184.009    318.907  28.746  10.233  21.548  8.7477  7.198507       13.46213  
1 1 1 -5  82  22 o 30.209  1.9561  500.116    63.660   389.179    402.750  502.958    64.471   26.093  10.066  30.291  1.9759  -4.198370      10.25823  
1 1 1 -5  82  23 o 43.592  5.2693  1103.85    243.738  1509.64    573.956  1014.57    269.219  45.765  11.572  41.238  6.2209  4.526325       13.13826  
1 1 1 -5  83  1  o 145.123 3.2446  11453.71   509.991  10965.80   724.018  11934.19   718.485  141.666 4.7186  147.852 4.4866  -6.185806      6.511154  
1 1 1 -5  83  2  o 165.885 3.4767  14975.15   624.670  14098.12   884.382  15848.35   882.454  160.510 5.0871  170.283 4.7846  -9.773621      6.983639  
1 1 1 -5  83  3  f 79.481  2.8442  3432.47    244.848  3390.84    348.615  3472.99    343.967  78.752  4.1013  79.822  3.9785  -1.069977      5.713939  
1 1 1 -5  83  4  o 97.849  2.8765  5203.22    304.856  5266.92    432.899  5140.54    429.385  98.275  4.0670  97.086  4.0834  1.188919       5.763201  
1 1 1 -5  83  5  f 66.489  2.9520  2403.23    212.590  2286.49    299.644  2521.55    301.662  64.576  4.3089  67.862  4.1237  -3.286140      5.964174  
1 1 1 -5  83  6  o 149.980 3.3265  12243.02   540.378  11867.65   765.382  12616.10   763.045  147.266 4.7985  151.890 4.6382  -4.624405      6.673724  
1 1 1 -5  83  7  o 46.914  3.5828  1206.02    180.676  1300.37    261.457  1119.79    249.960  48.456  5.0563  44.889  5.2398  3.566952       7.281569  
1 1 1 -5  83  8  o 98.237  2.9716  5249.51    316.184  4984.18    446.428  5516.57    447.880  95.487  4.3165  100.500 4.1146  -5.013222      5.963410  
1 1 1 -5  83  9  o 102.418 3.0110  5707.96    334.002  5965.82    486.467  5478.01    459.395  104.445 4.3003  100.098 4.2373  4.346970       6.037153  
1 1 1 -5  83  10 o 30.091  5.6424  514.610    177.138  377.471    285.163  600.777    226.038  26.283  8.6491  32.342  6.6742  -6.058123      10.92486  
1 1 1 -5  83  11 o 86.191  3.1175  4046.92    291.028  4053.70    432.156  4041.30    393.680  85.828  4.6663  85.918  4.2305  -0.8992767E-01 6.298530  
1 1 1 -5  83  12 o 35.771  5.0096  717.158    188.767  691.017    276.983  739.829    257.946  34.448  7.6252  35.857  6.8922  -1.409004      10.27843  
1 1 1 -5  83  13 o 119.720 3.2424  7818.02    420.446  7569.29    618.591  8031.59    573.200  117.274 4.8700  120.990 4.3741  -3.715553      6.545962  
1 1 1 -5  83  14 o 154.734 3.4338  13084.23   575.487  13807.67   826.558  12403.59   801.733  158.263 4.8220  149.937 4.9369  8.326080       6.901019  
1 1 1 -5  83  15 o 65.333  3.9655  2352.05    279.279  2016.72    429.060  2598.57    367.880  59.486  6.7806  68.343  5.0046  -8.857922      8.427475  
1 1 1 -5  83  16 o 49.762  4.9588  1388.99    263.707  1520.02    448.135  1319.59    326.155  50.519  8.4913  47.931  6.4459  2.587357       10.66077  
1 1 1 -5  83  17 o 67.474  3.8372  2520.52    279.269  2698.72    428.113  2388.52    368.458  68.889  5.7914  65.050  5.2750  3.838806       7.833673  
1 1 1 -5  83  18 f 16.300  6.9984  13.668     221.936  -31.2915   362.354  40.659     280.759  19.664  8.6818  18.535  7.9123  1.128469       11.74640  
1 1 1 -5  83  19 o 35.344  6.5692  740.736    242.222  515.172    393.260  878.618    307.467  29.054  10.151  37.994  7.7345  -8.940756      12.76160  
1 1 1 -5  83  20 o 22.627  8.0314  286.316    246.924  434.395    395.998  192.114    315.846  27.276  10.100  21.748  8.7487  5.527319       13.36247  
1 1 1 -5  83  21 o 74.192  4.0581  3083.43    324.864  3156.99    513.570  3034.36    419.444  73.177  6.5489  72.707  5.3642  0.4705658      8.465393  
1 1 1 -5  83  22 o 54.513  4.8898  1701.86    285.643  1920.05    447.921  1552.31    370.832  55.916  7.5923  50.703  6.9344  5.212955       10.28248  
1 1 1 -5  83  23 o 48.704  2.4802  1305.04    130.404  1551.03    504.353  1287.42    134.994  48.009  10.023  48.340  2.5877  -0.3303757     10.35157  
1 1 1 -5  84  1  o 79.594  2.8155  3442.53    242.718  3442.23    343.629  3442.83    342.884  79.352  4.0112  79.361  4.0019  -0.8651733E-02 5.666131  
1 1 1 -5  84  2  o 88.609  2.8607  4267.07    274.552  4083.25    391.601  4444.77    385.033  86.506  4.1795  90.292  3.9371  -3.786514      5.741904  
1 1 1 -5  84  3  o 97.582  2.9057  5176.02    307.105  4926.31    432.729  5429.42    435.912  95.007  4.2052  99.771  4.0339  -4.764275      5.827203  
1 1 1 -5  84  4  o 61.396  3.0904  2055.26    204.845  2121.79    285.686  1984.85    293.877  62.196  4.2667  60.093  4.5488  2.102795       6.236708  
1 1 1 -5  84  5  o 68.609  3.0076  2559.89    223.497  2720.08    309.813  2386.07    322.727  70.485  4.0756  65.910  4.5486  4.575447       6.107399  
1 1 1 -5  84  6  o 36.446  4.1882  734.739    162.324  854.046    232.835  621.917    226.419  39.021  5.6754  32.993  6.5671  6.028435       8.679709  
1 1 1 -5  84  7  o 136.315 3.1952  10115.29   471.752  10232.28   670.264  10000.44   664.095  136.747 4.5254  135.186 4.5355  1.561142       6.407071  
1 1 1 -5  84  8  o 121.798 3.0888  8074.42    407.467  7927.34    575.908  8221.85    576.584  120.367 4.4175  122.604 4.3420  -2.236839      6.194120  
1 1 1 -5  84  9  o 67.425  3.1205  2475.40    227.886  2455.76    332.194  2492.86    313.203  66.789  4.6206  67.363  4.3154  -0.5744247     6.322392  
1 1 1 -5  84  10 o 126.763 3.2764  8758.11    449.845  8443.04    652.774  9043.06    620.785  123.986 4.8609  128.458 4.4618  -4.471466      6.598204  
1 1 1 -5  84  11 f 160.678 3.4881  14089.26   607.033  14222.60   862.204  13958.20   854.792  160.813 4.9502  159.309 4.9539  1.503601       7.003239  
1 1 1 -5  84  12 o 14.106  6.0804  -10.9176   168.793  -30.4869   252.476  4.8981     226.973  16.914  7.3632  16.635  7.1079  0.2794056      10.23418  
1 1 1 -5  84  13 o 127.092 3.3113  8818.15    455.813  8795.87    668.238  8837.53    623.335  126.336 4.8835  126.785 4.5393  -0.4481354     6.667355  
1 1 1 -5  84  14 o 75.771  3.6069  3143.01    296.012  3090.44    445.641  3184.52    395.992  74.390  5.5714  75.796  4.8490  -1.405754      7.386045  
1 1 1 -5  84  15 o 45.435  5.3299  1163.90    257.302  1042.97    429.406  1231.64    321.389  41.228  9.7664  46.291  6.5968  -5.062679      11.78558  
1 1 1 -5  84  16 o 16.781  7.1085  31.731     223.579  -96.4847   358.325  113.471    286.105  18.924  8.4765  20.072  8.2327  -1.147936      11.81642  
1 1 1 -5  84  17 o 34.675  6.4391  706.718    232.932  692.392    368.776  716.228    300.455  33.157  9.6714  34.194  8.2151  -1.037212      12.68957  
1 1 1 -5  84  18 o 85.990  3.4940  4076.41    325.420  3943.98    487.022  4183.22    437.395  83.399  5.4210  86.383  4.6925  -2.984741      7.169901  
1 1 1 -5  84  19 o 91.117  3.4897  4584.75    344.395  4517.30    515.745  4639.02    462.664  89.138  5.3670  90.822  4.7196  -1.683380      7.146965  
1 1 1 -5  84  20 o 25.789  2.5656  367.897    70.710   727.772    395.352  356.004    71.869   33.188  10.097  25.345  2.6576  7.842751       10.44116  
1 1 1 -5  84  21 o 13.408  6.3272  -224.3496  239.965  -37.1250   378.063  -350.6667  310.538  19.554  8.7364  14.526  6.9516  5.028093       11.16460  
1 1 1 -5  84  22 o 28.560  8.0230  518.060    258.433  417.817    409.180  584.584    333.330  26.590  10.174  29.835  9.3058  -3.245531      13.78813  
1 1 1 -5  85  1  o 166.550 3.4690  15104.65   625.775  15569.05   891.835  14654.26   878.280  168.639 4.8826  163.583 4.9571  5.056458       6.957929  
1 1 1 -5  85  2  o 157.867 3.3976  13568.31   580.943  13767.54   824.247  13371.65   818.935  158.605 4.7981  156.295 4.8377  2.310547       6.813569  
1 1 1 -5  85  3  o 167.492 3.5560  15282.48   645.097  14875.39   912.698  15688.88   911.912  164.727 5.1155  169.227 4.9752  -4.499802      7.135946  
1 1 1 -5  85  4  o 130.086 3.1497  9208.15    443.776  8618.10    625.473  9806.27    629.736  125.511 4.6010  133.958 4.3403  -8.447289      6.325156  
1 1 1 -5  85  5  o 52.934  3.2400  1530.97    184.864  1545.26    260.022  1516.36    262.875  52.950  4.5790  52.429  4.6783  0.5209312      6.546288  
1 1 1 -5  85  6  o 74.671  3.0111  3033.60    243.527  3094.25    355.156  2979.77    334.563  75.095  4.3856  73.727  4.2071  1.368317       6.077298  
1 1 1 -5  85  7  o 131.288 3.1765  9384.70    451.689  9514.78    642.314  9257.44    635.312  131.841 4.4981  130.042 4.5106  1.798950       6.370075  
1 1 1 -5  85  8  o 73.559  3.0642  2945.69    244.133  3026.55    344.981  2864.57    345.532  74.251  4.3082  72.200  4.4401  2.051315       6.186687  
1 1 1 -5  85  9  o 17.450  6.4768  132.870    163.022  93.528     231.136  171.813    229.963  18.531  7.4737  20.247  7.6558  -1.715382      10.69895  
1 1 1 -5  85  10 o 87.493  3.1576  4171.40    299.225  4250.21    436.295  4101.41    411.159  87.897  4.5989  86.395  4.4086  1.501823       6.370650  
1 1 1 -5  85  11 o 65.972  3.3512  2380.26    238.673  2298.81    346.589  2453.73    329.156  64.444  5.0048  66.706  4.5837  -2.261856      6.786577  
1 1 1 -5  85  12 f 43.696  4.2924  1057.26    200.525  1332.23    296.062  824.202    272.563  48.723  5.7189  37.837  6.9053  10.88636       8.966037  
1 1 1 -5  85  13 o 24.257  7.0685  338.669    197.071  487.661    324.431  251.548    248.085  29.058  9.1977  22.434  8.0409  6.623734       12.21696  
1 1 1 -5  85  14 o 30.684  6.7777  550.806    219.242  544.010    328.709  556.252    294.255  30.266  9.2067  30.537  8.5549  -0.2712269     12.56780  
1 1 1 -5  85  15 o 46.599  4.9103  1219.80    244.100  1248.47    368.092  1197.29    326.126  46.036  7.6507  45.423  6.8411  0.6134300      10.26323  
1 1 1 -5  85  16 o 83.665  3.6030  3855.14    326.493  3948.40    500.564  3786.08    430.727  83.550  5.5633  82.223  4.8581  1.326424       7.385935  
1 1 1 -5  85  17 o 83.530  3.6219  3848.34    327.681  4014.82    511.968  3732.81    426.480  84.065  5.6557  81.553  4.8501  2.512054       7.450536  
1 1 1 -5  85  18 f 43.837  1.9084  1046.51    90.610   574.805    374.987  1075.76    93.377   30.283  9.9160  44.441  1.9399  -14.15782      10.10393  
1 1 1 -5  85  19 o 51.443  4.7256  1497.94    260.356  1388.31    403.496  1576.14    340.793  47.605  8.1167  52.016  6.1693  -4.411041      10.19517  
1 1 1 -5  85  20 o 17.444  7.2883  71.974     229.977  -165.0459  380.653  208.224    288.605  18.295  8.4048  21.445  8.4490  -3.150131      11.91754  
1 1 1 -5  85  21 o 76.261  3.9626  3257.86    326.179  3184.68    500.957  3311.72    429.758  73.522  6.3534  75.945  5.2570  -2.423172      8.246267  
1 1 1 -5  85  22 o 54.245  5.1875  1695.73    301.063  1318.64    507.248  1900.82    374.077  43.592  10.799  56.762  6.1847  -13.17026      12.44480  
1 1 1 -5  86  1  o 61.834  3.0647  2080.14    205.249  1989.77    289.996  2170.86    290.538  60.158  4.4829  62.888  4.2911  -2.730114      6.205637  
1 1 1 -5  86  2  o 136.821 3.2569  10190.86   482.643  9801.44    684.407  10576.11   680.729  133.798 4.7228  139.048 4.5200  -5.250458      6.537192  
1 1 1 -5  86  3  o 48.752  3.5080  1301.60    183.995  1219.28    274.354  1368.88    248.045  46.786  5.5204  49.798  4.6528  -3.011822      7.219660  
1 1 1 -5  86  4  o 58.825  3.1472  1888.72    199.795  1897.47    290.127  1880.82    275.542  58.704  4.5998  58.488  4.3814  0.2151184      6.352588  
1 1 1 -5  86  5  f 75.099  3.0727  3069.32    249.937  3116.72    355.634  3023.06    351.335  75.364  4.3756  74.216  4.3902  1.148132       6.198423  
1 1 1 -5  86  6  o 125.982 3.1496  8641.23    429.768  9008.54    612.384  8284.76    603.285  128.306 4.4066  123.008 4.5281  5.297829       6.318428  
1 1 1 -5  86  7  o 34.575  4.9074  668.712    178.620  642.022    259.629  692.698    246.125  33.303  7.3909  34.756  6.7817  -1.452961      10.03082  
1 1 1 -5  86  8  o 70.475  3.1156  2705.22    237.820  2624.80    333.985  2787.94    338.723  69.066  4.4891  71.207  4.4136  -2.140839      6.295388  
1 1 1 -5  86  9  o 85.170  3.0873  3951.49    284.798  3900.99    398.916  4003.99    406.727  84.264  4.3861  85.364  4.4141  -1.100243      6.222710  
1 1 1 -5  86  10 o 39.012  4.6153  846.600    191.234  862.419    282.142  833.156    260.095  38.764  6.9764  38.214  6.5178  0.5502319      9.547391  
1 1 1 -5  86  11 o 37.833  4.7965  799.472    192.132  800.596    284.709  798.532    260.353  37.168  7.3328  37.305  6.6894  -0.1364822     9.925593  
1 1 1 -5  86  12 o 31.226  5.7377  557.325    186.905  958.572    277.784  225.410    252.647  40.961  6.4766  21.908  8.0763  19.05283       10.35250  
1 1 1 -5  86  13 o 19.012  7.0636  163.976    193.994  65.663     324.774  218.511    241.887  20.487  8.6166  21.451  7.9033  -0.9639111     11.69222  
1 1 1 -5  86  14 o 88.305  3.4471  4275.55    329.691  4124.10    490.311  4400.54    445.422  85.861  5.2983  89.032  4.6351  -3.171310      7.039573  
1 1 1 -5  86  15 o 137.672 3.4328  10414.44   511.868  10275.94   735.397  10544.61   712.909  135.657 5.0051  137.598 4.7836  -1.941666      6.923375  
1 1 1 -5  86  16 o 50.393  4.8759  1431.06    262.805  1573.03    417.598  1337.95    338.167  51.434  7.7356  47.903  6.7013  3.531590       10.23458  
1 1 1 -5  86  17 o 62.909  4.1789  2206.41    283.116  2433.08    447.004  2054.58    365.852  64.836  6.4510  59.964  5.7017  4.872997       8.609598  
1 1 1 -5  86  18 o 60.617  4.1718  2053.48    272.232  2021.69    418.319  2076.84    358.544  58.755  6.6929  60.254  5.5566  -1.499496      8.698853  
1 1 1 -5  86  19 o 44.976  5.2906  1162.19    252.795  928.717    394.295  1325.14    329.405  37.790  9.6111  47.347  6.6031  -9.557064      11.66079  
1 1 1 -5  86  20 f 39.746  5.4836  918.198    229.779  918.309    415.836  918.148    275.690  37.025  10.093  39.089  6.7561  -2.063705      12.14529  
1 1 1 -5  86  21 o ?       ?       -398.1383  32.843   237.908    401.343  -402.4263  32.953   23.663  9.7333  ?       ?       0.000000       9.733307  
1 1 1 -5  87  1  f 124.098 3.0580  8380.16    411.025  8959.52    594.834  7850.75    568.607  128.020 4.2899  119.812 4.3817  8.207199       6.132082  
1 1 1 -5  87  2  o 76.908  2.9319  3217.44    244.227  3073.61    343.044  3365.26    347.783  74.871  4.2478  78.383  4.1109  -3.512276      5.911244  
1 1 1 -5  87  3  o 94.400  2.9617  4848.17    302.818  4709.62    426.250  4989.35    430.276  92.819  4.2399  95.553  4.1575  -2.733902      5.938153  
1 1 1 -5  87  4  o 62.256  3.2314  2116.31    217.144  1972.31    305.917  2262.53    308.272  59.803  4.7624  64.144  4.4651  -4.340698      6.528185  
1 1 1 -5  87  5  o 49.285  3.7055  1332.75    196.355  1119.92    283.233  1529.69    272.455  44.655  6.0086  52.594  4.8371  -7.939262      7.713669  
1 1 1 -5  87  6  o 79.659  3.0964  3455.34    267.154  3372.10    370.352  3545.64    385.743  78.361  4.3812  80.340  4.4504  -1.979385      6.245022  
1 1 1 -5  87  7  f 72.808  3.0923  2887.08    243.858  2748.86    341.970  3030.09    347.839  70.686  4.4899  74.264  4.3434  -3.577499      6.246951  
1 1 1 -5  87  8  o 117.745 3.1623  7553.99    403.293  7239.83    576.807  7854.45    564.089  114.869 4.6361  119.739 4.3495  -4.869774      6.357063  
1 1 1 -5  87  9  o 73.554  3.2234  2949.29    256.797  2782.22    359.254  3123.84    367.208  71.030  4.6962  75.330  4.5215  -4.299965      6.519081  
1 1 1 -5  87  10 o 81.785  3.1810  3647.64    281.781  3605.26    409.036  3685.91    388.734  80.850  4.6912  81.841  4.4016  -0.9901810     6.432836  
1 1 1 -5  87  11 o 34.171  5.3066  660.023    190.032  747.582    281.217  586.440    257.799  35.791  7.4947  31.617  7.6182  4.173883       10.68678  
1 1 1 -5  87  12 o 55.776  3.8210  1713.50    229.442  1635.67    348.499  1773.05    304.828  53.800  6.0877  56.398  5.0435  -2.597237      7.905522  
1 1 1 -5  87  13 o 61.195  3.9014  2066.89    257.237  2303.89    382.010  1870.27    347.949  64.019  5.5647  57.602  5.6498  6.416229       7.930052  
1 1 1 -5  87  14 o 26.973  7.5154  433.286    227.734  599.281    359.478  322.003    294.333  31.316  9.6469  24.517  8.7614  6.798985       13.03171  
1 1 1 -5  87  15 o 16.024  6.9148  1.3214     218.792  -110.5860  337.563  82.392     287.314  18.108  8.1593  19.484  8.1439  -1.376307      11.52811  
1 1 1 -5  87  16 o 44.088  5.4643  1110.39    255.336  985.416    409.277  1190.02    326.714  39.493  9.6502  44.992  6.9267  -5.498993      11.87878  
1 1 1 -5  87  17 o 40.789  5.9240  964.948    254.061  800.557    406.795  1070.07    325.306  35.192  10.127  42.276  7.3725  -7.083878      12.52635  
1 1 1 -5  87  18 f 41.841  5.9920  1020.84    263.798  356.978    459.525  1347.15    322.172  26.705  10.617  47.960  6.3589  -21.25472      12.37542  
1 1 1 -5  87  19 o 40.179  6.0080  947.203    253.428  956.969    412.533  941.284    321.179  38.093  9.9058  39.040  7.8675  -0.9470901     12.65002  
1 1 1 -5  87  20 o 23.160  7.9724  315.560    242.156  -99.9579   410.311  537.642    299.968  19.598  8.8971  28.975  8.7908  -9.376875      12.50747  
1 1 1 -5  87  21 o 16.850  7.3234  11.456     248.968  159.795    480.063  -43.1207   291.188  23.808  10.258  17.252  7.6905  6.556114       12.82091  
1 1 1 -5  88  1  o 56.309  3.4444  1734.61    209.059  1834.65    303.319  1644.08    288.544  57.625  4.9065  54.521  4.9399  3.104122       6.962472  
1 1 1 -5  88  2  o 170.542 3.6199  15864.57   668.653  15523.67   940.694  16212.70   950.621  168.075 5.1674  171.793 5.1090  -3.717651      7.266617  
1 1 1 -5  88  3  o 128.632 3.1064  9008.92    432.789  8553.26    607.302  9479.13    616.922  124.973 4.4866  131.614 4.3277  -6.641205      6.233669  
1 1 1 -5  88  4  o 147.330 3.3166  11828.78   529.247  11493.46   751.409  12158.90   745.561  144.736 4.7932  148.935 4.6219  -4.198685      6.658567  
1 1 1 -5  88  5  o 126.502 3.1609  8716.64    433.082  8264.93    613.206  9166.18    611.738  122.781 4.6111  129.384 4.3653  -6.603149      6.349667  
1 1 1 -5  88  6  o 19.517  6.4098  203.561    156.643  112.672    216.248  303.900    227.212  18.501  7.3058  23.623  7.7179  -5.121695      10.62733  
1 1 1 -5  88  7  o 20.172  6.4979  220.996    161.382  361.086    228.418  81.370     228.039  25.254  7.6731  18.174  7.3900  7.079874       10.65310  
1 1 1 -5  88  8  o 45.660  4.1960  1151.01    205.189  694.705    308.630  1512.46    274.688  34.399  8.3645  52.226  4.9138  -17.82653      9.701044  
1 1 1 -5  88  9  o 39.405  4.4081  862.303    184.912  881.786    268.940  844.835    254.654  39.295  6.5496  38.508  6.3253  0.7868729      9.105347  
1 1 1 -5  88  10 o 99.351  3.0350  5382.37    326.587  5209.89    463.450  5552.50    460.294  97.381  4.3940  100.587 4.2250  -3.205109      6.095688  
1 1 1 -5  88  11 o 31.259  5.8232  560.297    189.897  587.159    281.211  537.779    257.468  31.476  8.1754  30.190  7.8135  1.286333       11.30876  
1 1 1 -5  88  12 f 70.484  3.3596  2719.93    256.480  2556.37    377.124  2860.68    349.844  67.645  5.1868  71.838  4.5193  -4.192886      6.879477  
1 1 1 -5  88  13 o 84.715  3.4020  3937.06    312.150  4052.58    459.728  3838.25    425.187  85.181  5.0050  83.017  4.7484  2.163849       6.899098  
1 1 1 -5  88  14 o 71.321  3.7954  2812.12    292.134  2404.05    443.410  3125.10    388.327  64.706  6.4113  74.736  4.8231  -10.02964      8.022877  
1 1 1 -5  88  15 o 16.778  2.4751  156.922    43.628   519.973    348.102  151.128    43.975   29.273  9.5524  16.445  2.5515  12.82750       9.887256  
1 1 1 -5  88  16 o 64.566  4.3070  2327.31    299.466  2160.09    498.506  2421.74    374.589  60.186  7.8329  65.353  5.3386  -5.167210      9.479167  
1 1 1 -5  88  17 o 49.002  5.0986  1365.74    266.644  1356.44    426.265  1371.72    341.766  46.814  8.7279  48.296  6.7153  -1.481258      11.01234  
1 1 1 -5  88  18 o 24.824  7.9293  371.358    240.700  487.417    391.122  300.607    305.377  28.280  10.100  23.707  8.8516  4.573187       13.43017  
1 1 1 -5  88  19 o 22.584  8.0761  286.658    250.127  183.429    456.951  330.820    298.880  23.943  10.153  24.150  8.8021  -0.2068272     13.43763  
1 1 1 -5  88  20 o 19.732  7.8491  162.436    251.295  345.537    477.285  92.211     295.582  26.319  10.695  19.438  8.2003  6.880527       13.47713  
1 1 1 -5  89  1  o 43.098  4.2815  1026.12    197.210  744.417    281.366  1298.16    276.494  35.882  7.4821  48.278  5.3792  -12.39614      9.215081  
1 1 1 -5  89  2  f 44.926  3.9857  1111.47    191.930  977.377    274.104  1240.45    268.833  41.580  6.2824  47.184  5.3552  -5.604549      8.255101  
1 1 1 -5  89  3  o 81.289  3.0803  3598.22    271.204  3522.36    385.338  3672.67    381.767  80.067  4.4612  81.797  4.3245  -1.730782      6.213153  
1 1 1 -5  89  4  o 103.469 3.1153  5830.96    349.127  5934.14    505.439  5736.81    482.817  104.064 4.4843  102.353 4.3552  1.710846       6.251177  
1 1 1 -5  89  5  f 150.606 3.2853  12362.85   535.910  11569.56   758.600  13153.18   757.185  145.157 4.8251  154.906 4.5130  -9.748993      6.606695  
1 1 1 -5  89  6  o 138.230 3.2469  10414.86   486.120  10087.15   685.713  10745.97   689.254  135.571 4.6699  139.977 4.5462  -4.405762      6.517368  
1 1 1 -5  89  7  o 113.436 3.1317  7013.02    384.766  6648.37    533.883  7407.12    555.015  110.084 4.4777  116.219 4.4092  -6.134796      6.284135  
1 1 1 -5  89  8  o 66.979  3.2068  2446.88    232.637  2437.94    326.036  2456.14    332.041  66.467  4.5563  66.698  4.6249  -0.2303009     6.492294  
1 1 1 -5  89  9  o 111.740 3.1106  6810.77    376.463  6646.67    536.529  6969.92    528.364  109.952 4.5053  112.658 4.3301  -2.706314      6.248781  
1 1 1 -5  89  10 o 18.109  6.5990  153.941    167.974  67.172     243.074  233.249    232.389  18.241  7.5461  21.664  7.7805  -3.423229      10.83884  
1 1 1 -5  89  11 o 55.826  3.9167  1720.42    235.325  1877.33    364.580  1608.35    308.102  57.650  5.9230  53.514  5.3889  4.136124       8.007627  
1 1 1 -5  89  12 o 113.167 3.2251  7014.15    395.312  6867.19    561.103  7158.99    557.031  111.302 4.6544  113.716 4.5226  -2.413391      6.489817  
1 1 1 -5  89  13 o 71.547  3.7686  2827.54    291.010  2861.41    448.545  2802.92    382.421  70.993  5.8865  70.700  5.0268  0.2927246      7.740767  
1 1 1 -5  89  14 o 21.913  7.6543  259.430    223.608  108.169    348.383  365.401    291.599  21.399  8.9580  25.383  8.7479  -3.984200      12.52086  
1 1 1 -5  89  15 o 12.663  3.1479  91.456     42.989   871.442    390.560  81.891     43.252   37.127  9.6305  12.010  3.2472  25.11696       10.16323  
1 1 1 -5  89  16 o 65.168  4.1365  2367.15    290.456  2447.74    456.857  2312.48    376.298  64.895  6.5913  63.718  5.5067  1.176994       8.588839  
1 1 1 -5  89  17 o 62.828  4.3006  2211.41    290.892  2212.67    460.684  2210.57    375.137  61.160  7.0857  62.085  5.6403  -0.9244537     9.056459  
1 1 1 -5  89  18 o 51.434  4.9897  1507.54    274.467  1398.36    434.789  1579.87    353.892  47.167  8.8354  51.839  6.4418  -4.671566      10.93441  
1 1 1 -5  89  19 f 67.728  2.8403  2522.01    208.356  2346.95    522.446  2555.12    227.206  61.891  7.9796  68.081  3.0812  -6.190277      8.553825  
1 1 1 -5  89  20 f 53.190  5.0842  1621.07    289.335  2114.61    520.543  1400.43    348.054  58.182  8.5121  48.367  6.8344  9.815857       10.91624  
1 1 1 -5  90  1  o 33.133  5.3616  619.179    185.837  633.687    277.075  607.315    250.550  32.978  7.8672  32.371  7.3180  0.6069336      10.74453  
1 1 1 -5  90  2  o 15.828  6.2903  75.866     161.263  -27.4863   233.392  170.285    223.079  16.329  7.0938  20.039  7.5490  -3.709982      10.35901  
1 1 1 -5  90  3  o 38.625  4.5346  828.689    186.097  881.321    267.328  779.200    259.221  39.365  6.4965  36.899  6.7342  2.465851       9.357045  
1 1 1 -5  90  4  o 35.740  5.2829  717.923    198.337  394.549    306.249  951.542    260.301  26.885  8.9688  41.053  6.0341  -14.16864      10.80971  
1 1 1 -5  90  5  o 75.221  3.3441  3086.09    272.452  3183.94    386.019  2988.97    384.596  76.000  4.7127  73.588  4.8526  2.411789       6.764426  
1 1 1 -5  90  6  o 55.912  3.6383  1715.01    219.128  1829.00    322.916  1617.71    298.329  57.360  5.2562  53.941  5.1697  3.418968       7.372453  
1 1 1 -5  90  7  o 84.692  3.1359  3911.43    287.653  3821.03    404.443  4003.97    409.203  83.286  4.5002  85.279  4.4456  -1.992828      6.325735  
1 1 1 -5  90  8  f 28.004  5.8234  450.862    170.872  572.521    241.252  328.398    242.048  31.302  7.2571  24.360  7.9662  6.942701       10.77619  
1 1 1 -5  90  9  o 72.572  3.3622  2879.36    264.281  2810.12    398.697  2933.63    352.966  71.046  5.2177  72.851  4.4952  -1.805099      6.887057  
1 1 1 -5  90  10 f 75.009  3.2595  3077.59    264.809  3086.61    387.257  3069.66    362.921  74.534  4.8229  74.442  4.5226  0.9255981E-01  6.611650  
1 1 1 -5  90  11 o 104.999 3.1917  6035.54    362.972  6242.01    530.334  5853.59    497.846  106.159 4.6123  102.874 4.4681  3.285568       6.421631  
1 1 1 -5  90  12 o 110.465 3.2412  6690.73    387.790  6503.33    549.475  6876.69    547.366  108.180 4.6896  111.331 4.5393  -3.151482      6.526660  
1 1 1 -5  90  13 o 42.136  5.2367  1007.92    233.837  964.890    354.168  1041.17    311.346  39.839  8.4687  42.077  7.0833  -2.238052      11.04048  
1 1 1 -5  90  14 o 83.498  3.5775  3840.09    323.539  4017.57    493.948  3706.73    428.174  84.332  5.4367  81.317  4.8841  3.014595       7.308396  
1 1 1 -5  90  15 o 35.187  6.7302  733.487    247.147  500.683    404.286  872.401    312.297  29.020  10.279  37.923  7.8614  -8.902557      12.94076  
1 1 1 -5  90  16 o 32.123  7.1349  623.215    241.782  338.079    378.956  818.973    313.995  25.535  9.7864  36.439  8.1590  -10.90366      12.74137  
1 1 1 -5  90  17 o 58.873  4.5042  1951.19    285.035  2082.57    455.421  1866.58    365.464  59.119  7.2653  56.732  6.0406  2.387348       9.448475  
1 1 1 -5  90  18 o 85.993  3.7462  4107.01    348.924  3819.25    537.188  4317.02    458.912  81.034  6.1668  87.298  4.8729  -6.264198      7.859732  
1 1 1 -5  90  19 o 91.226  3.6585  4619.96    361.480  4731.26    560.082  4540.50    473.241  90.565  5.7394  89.455  4.9030  1.110428       7.548577  
1 1 1 -5  91  1  o 50.539  4.0529  1406.29    219.985  1325.28    330.616  1470.66    294.686  48.441  6.4627  51.380  5.3750  -2.939075      8.405760  
1 1 1 -5  91  2  o 26.961  6.2576  419.028    179.210  474.067    229.618  333.252    286.649  28.563  7.3721  25.156  8.6731  3.407423       11.38296  
1 1 1 -5  91  3  o 97.349  3.0583  5163.51    322.469  4952.27    457.772  5371.60    454.329  95.017  4.4481  99.016  4.2364  -3.999557      6.142690  
1 1 1 -5  91  4  o 49.578  3.9415  1353.18    209.900  1372.15    306.261  1336.38    288.244  49.458  5.8292  48.881  5.5424  0.5768089      8.043478  
1 1 1 -5  91  5  o 71.720  3.3997  2808.05    264.094  2931.67    373.900  2684.98    373.071  72.855  4.7646  69.646  4.9785  3.208626       6.891078  
1 1 1 -5  91  6  o 151.764 3.4322  12580.68   564.170  12234.06   800.183  12923.29   795.550  148.968 4.9594  153.195 4.7946  -4.227219      6.898077  
1 1 1 -5  91  7  o 137.773 3.3007  10367.22   492.539  10289.65   698.802  10443.80   694.331  136.652 4.7214  137.704 4.6553  -1.052689      6.630484  
1 1 1 -5  91  8  o 76.180  3.2228  3171.05    265.913  3251.01    385.861  3098.73    366.966  76.626  4.6716  74.846  4.5483  1.779259       6.520019  
1 1 1 -5  91  9  o 53.112  3.9944  1559.15    228.098  1755.19    351.859  1417.05    299.570  55.727  5.9202  50.123  5.6146  5.603794       8.159202  
1 1 1 -5  91  10 o 72.740  3.3057  2898.72    260.438  2827.52    382.243  2960.40    355.806  71.160  4.9910  73.016  4.5214  -1.855247      6.734455  
1 1 1 -5  91  11 o 76.569  3.3887  3217.53    281.036  3529.11    424.601  2974.61    374.911  79.453  4.9588  73.009  4.7673  6.444801       6.878716  
1 1 1 -5  91  12 o 58.828  3.9454  1917.83    249.933  1940.04    354.791  1895.95    352.141  58.473  5.6734  57.787  5.7004  0.6859207      8.042547  
1 1 1 -5  91  13 o 19.188  7.3691  158.495    215.140  192.290    330.425  133.624    283.456  22.410  8.9718  20.313  8.2469  2.097424       12.18621  
1 1 1 -5  91  14 o 61.057  4.0668  2073.84    267.405  2311.18    402.275  1885.94    357.934  63.566  5.9106  57.413  5.8372  6.153259       8.307078  
1 1 1 -5  91  15 o 22.380  7.6888  280.788    225.179  506.754    343.940  111.268    297.901  28.765  9.5004  20.120  8.3412  8.644646       12.64249  
1 1 1 -5  91  16 o 38.778  6.1439  880.832    249.444  661.912    391.329  1030.66    323.738  32.051  10.097  41.297  7.5145  -9.246410      12.58639  
1 1 1 -5  91  17 o 44.990  2.3764  1109.89    115.389  1528.81    491.193  1085.42    118.711  48.811  9.6330  44.467  2.4746  4.344662       9.945758  
1 1 1 -5  91  18 o 59.308  2.6936  1929.95    173.029  1924.72    460.410  1930.81    186.716  56.272  7.7606  59.258  2.9092  -2.985519      8.287921  
1 1 1 -5  92  1  o 125.546 3.1590  8594.69    429.557  8622.04    616.456  8568.87    598.896  125.289 4.5427  124.947 4.4254  0.3422318      6.342009  
1 1 1 -5  92  2  o 127.634 3.1989  8884.98    442.212  8492.20    627.432  9272.66    623.353  124.288 4.6609  129.968 4.4282  -5.680054      6.429049  
1 1 1 -5  92  3  o 71.312  3.3558  2776.05    259.197  2684.10    352.052  2884.89    383.022  69.707  4.6902  72.206  4.9269  -2.499290      6.802426  
1 1 1 -5  92  4  o 121.298 3.1827  8027.42    418.142  7816.14    596.256  8231.88    586.547  119.204 4.6182  122.411 4.4240  -3.207138      6.395246  
1 1 1 -5  92  5  o 58.374  3.6694  1871.68    230.818  1804.56    335.695  1931.87    317.883  56.810  5.5256  58.953  5.0265  -2.142521      7.469782  
1 1 1 -5  92  6  o 36.088  5.6875  740.206    214.947  536.619    306.945  936.115    301.102  30.157  8.8313  40.193  7.1801  -10.03634      11.38178  
1 1 1 -5  92  7  o 53.753  3.8703  1593.52    223.820  1691.38    317.406  1496.74    315.660  54.929  5.4051  51.524  5.7547  3.405064       7.895001  
1 1 1 -5  92  8  o 24.965  6.8717  364.354    191.673  557.803    271.282  171.518    270.852  30.583  8.0718  20.979  8.2096  9.603466       11.51307  
1 1 1 -5  92  9  o 70.791  3.4931  2749.35    267.830  2815.72    387.039  2688.36    371.006  70.971  5.0684  69.381  4.9700  1.589592       7.098533  
1 1 1 -5  92  10 o 97.741  3.1789  5233.86    336.532  5504.24    489.458  4991.44    463.461  99.641  4.5353  94.899  4.5090  4.742256       6.395311  
1 1 1 -5  92  11 o 76.260  3.7588  3202.77    310.471  3349.88    461.700  3081.34    419.476  77.052  5.5698  74.043  5.2649  3.008667       7.664376  
1 1 1 -5  92  12 o 67.031  3.6855  2482.00    266.542  2302.80    378.583  2658.14    375.331  63.776  5.5356  68.783  5.0739  -5.006775      7.509128  
1 1 1 -5  92  13 o 19.279  7.4020  161.790    217.028  -73.0256   334.957  331.697    284.925  18.466  8.2388  24.460  8.6331  -5.993883      11.93351  
1 1 1 -5  92  14 o 20.973  7.5911  228.037    221.743  593.628    339.923  -42.7752   292.562  30.841  9.3582  17.609  7.7864  13.23174       12.17391  
1 1 1 -5  92  15 f 22.997  7.6434  305.703    222.499  -1.5666    331.609  557.305    300.070  19.184  8.3925  29.903  8.7246  -10.71947      12.10591  
1 1 1 -5  92  16 o 39.776  6.0262  924.860    251.485  1262.64    399.227  702.650    323.807  45.149  8.4753  33.308  8.8319  11.84064       12.24062  
1 1 1 -5  92  17 o 48.646  5.5303  1365.18    286.203  1092.97    500.560  1497.39    348.850  39.935  11.147  50.381  6.5477  -10.44632      12.92814  
1 1 1 -5  92  18 o 42.441  5.9983  1055.04    268.045  1825.20    442.130  607.462    337.050  54.859  7.6491  30.704  9.3190  24.15527       12.05618  
1 1 1 -5  93  1  f 118.807 3.1566  7702.78    406.190  7950.55    577.762  7460.62    571.173  120.257 4.4358  116.456 4.5283  3.800842       6.338904  
1 1 1 -5  93  2  o 69.565  3.2331  2642.17    243.602  2520.73    347.884  2759.00    341.224  67.461  4.7924  70.688  4.4799  -3.227753      6.560229  
1 1 1 -5  93  3  o 37.849  4.8603  802.716    194.645  564.106    290.279  997.651    262.372  30.880  8.4386  41.950  5.9406  -11.06972      10.31992  
1 1 1 -5  93  4  o 49.702  4.1459  1366.04    221.145  1369.88    311.617  1362.14    313.888  49.239  5.9648  49.075  6.0323  0.1637955      8.483356  
1 1 1 -5  93  5  o 97.156  3.1398  5156.30    330.406  5484.74    473.803  4845.38    460.989  99.796  4.3834  93.742  4.5403  6.053596       6.311006  
1 1 1 -5  93  6  o 15.085  6.4107  13.429     182.800  -51.2757   252.035  85.249     265.530  16.450  7.2529  19.179  7.9063  -2.728855      10.72912  
1 1 1 -5  93  7  o 39.442  4.8023  873.758    200.919  924.942    282.746  821.550    285.560  39.934  6.7795  37.394  7.3126  2.540104       9.971699  
1 1 1 -5  93  8  o 74.605  3.5547  3055.80    287.242  2848.67    411.132  3253.32    401.482  71.233  5.3682  76.379  4.8786  -5.145782      7.253880  
1 1 1 -5  93  9  o 40.126  5.1044  910.923    216.817  849.178    317.752  964.719    296.592  37.615  8.0430  40.598  6.9976  -2.983719      10.66096  
1 1 1 -5  93  10 o 50.202  4.5251  1408.32    243.405  1751.38    381.578  1172.97    316.059  55.179  6.5101  44.952  6.6959  10.22684       9.338984  
1 1 1 -5  93  11 o 38.056  6.0502  837.020    241.030  939.198    350.540  745.390    331.955  39.300  8.4838  34.824  8.7979  4.475544       12.22201  
1 1 1 -5  93  12 o 25.440  7.6873  384.526    229.722  424.146    363.954  358.289    296.174  27.327  9.7451  25.232  8.8094  2.094616       13.13671  
1 1 1 -5  93  13 f 18.751  7.4474  130.002    225.913  -608.7743  360.744  606.675    289.769  14.342  7.0100  31.399  8.3687  -17.05676      10.91675  
1 1 1 -5  93  14 f 13.827  6.3760  -144.9442  221.888  129.798    356.830  -318.1558  283.326  21.731  9.0788  14.114  6.7228  7.616448       11.29695  
1 1 1 -5  93  15 o 30.356  7.1289  558.647    230.394  884.760    346.546  300.330    308.428  37.578  8.6880  23.837  8.8965  13.74131       12.43505  
1 1 1 -5  93  16 o 32.209  7.2556  632.771    247.040  724.277    394.689  573.832    316.760  33.240  10.083  30.078  9.0129  3.161522       13.52437  
1 1 1 -5  93  17 o 16.575  7.2114  0.5845     241.905  -300.3843  410.043  161.253    299.596  17.832  8.3698  20.844  8.4725  -3.012783      11.90953  
1 1 1 -5  94  1  o 52.982  4.0000  1549.91    227.848  1389.42    340.637  1679.86    306.510  49.355  6.5327  54.810  5.2265  -5.454502      8.366161  
1 1 1 -5  94  2  o 68.334  3.4378  2561.59    253.624  2608.52    344.226  2505.86    375.120  68.594  4.6610  67.032  5.2076  1.561760       6.988850  
1 1 1 -5  94  3  o 68.333  3.3522  2554.61    248.102  2576.93    363.914  2535.23    339.134  68.049  4.9719  67.604  4.6601  0.4455185      6.814401  
1 1 1 -5  94  4  o 86.743  3.2200  4114.90    302.527  4145.77    427.161  4083.83    428.517  86.526  4.5743  85.854  4.6253  0.6717453      6.505176  
1 1 1 -5  94  5  o 82.540  3.2220  3727.57    288.044  3546.91    413.501  3897.88    401.477  79.885  4.8014  83.913  4.4331  -4.027985      6.534930  
1 1 1 -5  94  6  o 93.215  3.1436  4754.48    317.384  4704.94    450.220  4803.42    447.488  92.228  4.5070  93.221  4.4320  -0.9925461     6.321064  
1 1 1 -5  94  7  o 84.408  3.2668  3903.72    298.664  3697.03    430.324  4095.82    414.851  81.419  4.9026  85.917  4.4735  -4.497887      6.636860  
1 1 1 -5  94  8  o 30.434  6.5612  544.237    209.913  449.851    295.768  640.033    297.967  27.612  8.7865  32.495  8.4034  -4.883373      12.15811  
1 1 1 -5  94  9  o 22.803  7.2660  297.356    202.208  109.948    298.755  455.785    274.688  20.342  8.3860  27.648  8.4176  -7.306421      11.88196  
1 1 1 -5  94  10 o 50.451  4.7395  1427.67    255.948  1423.28    384.378  1431.16    343.064  49.183  7.4489  49.772  6.5207  -0.5893936     9.899755  
1 1 1 -5  94  11 o 51.046  4.7125  1463.03    257.603  1416.41    373.117  1505.48    356.092  49.082  7.2356  50.948  6.6088  -1.865303      9.799513  
1 1 1 -5  94  12 o 63.975  4.0778  2275.26    281.083  2396.76    434.002  2187.47    368.906  64.552  6.2873  62.049  5.5477  2.502495       8.384941  
1 1 1 -5  94  13 o 34.634  6.7012  711.518    242.287  766.131    380.304  674.207    314.336  34.668  9.7304  32.908  8.6903  1.759960       13.04620  
1 1 1 -5  94  14 o 41.534  5.2947  988.328    232.769  1149.00    367.458  880.646    300.822  43.370  8.1210  38.140  7.5493  5.229664       11.08793  
1 1 1 -5  94  15 o 25.328  7.5632  388.962    223.337  630.414    365.306  244.848    282.225  31.354  9.7358  22.237  8.4637  9.116825       12.90037  
1 1 1 -5  94  16 o 15.531  6.8845  -42.0469   230.093  -40.0952   431.306  -42.8234   272.038  20.930  9.3426  16.857  7.4784  4.072973       11.96709  
1 1 1 -5  95  1  o 37.962  4.9720  812.075    199.520  668.329    314.742  908.646    257.977  33.302  8.6489  39.798  6.1857  -6.496376      10.63322  
1 1 1 -5  95  2  o 19.274  6.6813  193.296    170.219  392.449    245.607  9.2274     236.123  25.964  7.9699  16.874  7.2310  9.089987       10.76135  
1 1 1 -5  95  3  o 30.518  6.0043  539.425    191.397  705.641    262.351  350.299    279.847  34.606  7.2323  25.134  8.5727  9.471935       11.21599  
1 1 1 -5  95  4  o 73.425  3.2862  2952.94    261.341  2930.92    377.459  2973.22    362.199  72.529  4.8326  73.150  4.5949  -0.6212616     6.668354  
1 1 1 -5  95  5  o 63.395  3.5433  2212.61    242.324  2216.42    350.759  2209.12    335.167  62.866  5.1980  62.856  4.9635  0.9487152E-02  7.187196  
1 1 1 -5  95  6  o 67.150  3.4406  2480.32    249.398  2205.36    353.875  2751.66    351.540  62.656  5.2633  70.301  4.6430  -7.645359      7.018534  
1 1 1 -5  95  7  o 62.574  3.6587  2159.52    246.883  2028.32    357.692  2278.90    341.184  59.924  5.5750  63.805  4.9763  -3.880959      7.472951  
1 1 1 -5  95  8  o 47.567  4.5762  1265.89    232.857  1247.62    324.054  1285.40    334.831  46.428  6.6327  47.081  6.7601  -0.6524048     9.470573  
1 1 1 -5  95  9  o 81.279  3.3607  3626.73    295.854  3505.32    427.201  3738.62    410.122  79.110  5.0116  81.900  4.6425  -2.789925      6.831474  
1 1 1 -5  95  10 o 28.819  7.0025  495.590    216.426  631.504    305.709  359.029    306.436  32.079  8.6160  25.397  8.9542  6.681942       12.42631  
1 1 1 -5  95  11 o 46.973  5.0665  1248.74    253.687  1208.98    368.681  1284.49    349.612  44.917  7.8648  46.708  7.1373  -1.790970      10.62058  
1 1 1 -5  95  12 o 62.420  4.1911  2171.97    281.703  2225.51    441.148  2135.10    366.054  61.865  6.6903  61.220  5.5819  0.6443100      8.713040  
1 1 1 -5  95  13 o 26.405  7.8678  422.475    241.885  717.022    396.688  248.140    305.186  33.401  10.104  22.801  8.7719  10.60047       13.38025  
1 1 1 -5  95  14 o 16.875  7.0262  63.099     212.684  33.100     346.906  81.166     269.215  20.006  8.6700  18.807  7.8740  1.199448       11.71189  
1 1 1 -5  95  15 o 23.853  7.6520  338.261    223.977  489.482    368.017  249.296    282.274  28.266  9.8226  22.325  8.4723  5.941704       12.97165  
1 1 1 -5  95  16 o 25.459  7.9709  393.834    244.299  547.372    467.647  336.206    286.501  29.809  10.988  24.276  8.6474  5.532694       13.98269  
1 1 1 -5  96  1  o 73.477  3.4204  2960.48    272.204  2841.83    379.796  3085.80    390.328  71.352  4.9449  74.397  4.8709  -3.044907      6.941027  
1 1 1 -5  96  2  o 24.004  6.8132  336.833    185.369  244.541    283.978  405.355    244.691  22.717  8.5252  26.263  7.9333  -3.545708      11.64544  
1 1 1 -5  96  3  o 56.720  3.7324  1775.96    228.012  1769.21    317.272  1783.17    327.905  56.084  5.2853  56.241  5.4515  -0.1568260     7.592981  
1 1 1 -5  96  4  o 22.562  7.1308  290.107    195.059  357.156    273.134  220.317    278.660  25.173  8.4698  22.084  8.4090  3.089581       11.93521  
1 1 1 -5  96  5  o 19.813  7.0833  198.503    192.401  382.441    272.628  15.996     271.566  25.791  8.4555  18.051  7.7455  7.740202       11.46680  
1 1 1 -5  96  6  o 48.328  4.1519  1298.55    215.221  1097.38    306.282  1494.77    302.492  43.484  6.7198  51.390  5.5211  -7.906116      8.697071  
1 1 1 -5  96  7  o 94.354  3.3328  4884.01    340.599  4823.02    472.234  4950.14    491.716  93.064  4.7002  94.211  4.8351  -1.146690      6.743139  
1 1 1 -5  96  8  o 52.058  4.1132  1506.53    230.028  1365.10    331.045  1638.57    319.862  48.636  6.4429  53.743  5.5762  -5.107162      8.520847  
1 1 1 -5  96  9  o 33.716  6.2786  664.073    220.843  530.305    337.840  763.885    291.827  29.566  9.3888  35.622  7.7815  -6.056581      12.19430  
1 1 1 -5  96  10 o 46.156  4.7796  1200.11    235.478  1083.18    332.499  1317.78    333.536  42.679  7.4647  47.574  6.6552  -4.894596      10.00069  
1 1 1 -5  96  11 o 73.599  3.6766  2989.22    293.082  2763.74    436.171  3174.83    395.735  69.578  5.8419  75.172  4.8870  -5.593849      7.616424  
1 1 1 -5  96  12 o 68.364  3.9907  2598.83    294.211  3103.31    459.279  2247.73    383.146  73.692  5.8011  62.712  5.7032  10.98014       8.135089  
1 1 1 -5  96  13 o 21.329  8.0116  224.866    250.909  216.166    456.406  228.634    300.371  24.755  10.299  22.292  8.6669  2.463198       13.46021  
1 1 1 -5  96  14 o 65.423  3.9088  2383.43    275.715  2392.51    423.977  2376.78    362.939  64.266  6.1668  64.641  5.2287  -0.3752060     8.085063  
1 1 1 -5  96  15 o 17.839  7.3844  83.246     232.986  -20.6574   435.940  124.791    275.658  21.287  9.4543  19.719  8.0835  1.568888       12.43894  
1 1 1 -5  97  1  o 47.744  4.0938  1265.94    209.650  1294.58    310.885  1242.06    283.927  47.555  6.1819  46.743  5.7280  0.8121796      8.427680  
1 1 1 -5  97  2  o 38.203  5.2411  827.971    211.147  860.755    286.129  788.771    312.875  38.266  7.1671  36.217  8.1705  2.048592       10.86847  
1 1 1 -5  97  3  o 23.824  6.7098  332.219    180.515  278.153    259.709  382.752    251.083  23.048  8.2307  25.643  8.0888  -2.594904      11.54004  
1 1 1 -5  97  4  o 62.469  3.5729  2150.41    240.739  2170.97    351.142  2132.16    330.690  62.149  5.2660  61.701  4.9911  0.4479675      7.255441  
1 1 1 -5  97  5  o 57.408  3.7766  1821.58    233.516  1622.48    337.842  2003.71    323.133  53.369  5.9456  59.764  5.0390  -6.394848      7.793674  
1 1 1 -5  97  6  o 32.173  6.1066  602.239    205.014  371.436    277.687  878.776    303.956  25.495  8.5403  38.440  7.5700  -12.94514      11.41237  
1 1 1 -5  97  7  f 25.443  7.1851  383.805    206.705  423.933    293.267  344.188    291.392  26.869  8.7678  24.940  8.7363  1.928772       12.37723  
1 1 1 -5  97  8  o 67.477  3.6380  2513.90    264.897  2645.25    390.151  2401.56    360.808  68.501  5.2998  65.329  5.1407  3.172371       7.383387  
1 1 1 -5  97  9  o 45.212  4.8920  1154.01    235.736  1338.30    329.777  961.429    337.104  48.021  6.5082  39.862  8.0845  8.159161       10.37861  
1 1 1 -5  97  10 o 20.710  7.4276  223.476    211.717  249.038    300.165  198.168    298.667  22.844  8.7205  21.804  8.5935  1.040667       12.24323  
1 1 1 -5  97  11 o 71.647  3.8925  2849.07    300.927  3039.09    466.404  2713.55    393.880  72.843  5.9639  69.209  5.2946  3.633621       7.975008  
1 1 1 -5  97  12 o 107.623 3.4448  6386.36    401.547  6580.98    601.455  6229.85    539.354  108.079 5.1380  105.475 4.7212  2.604202       6.977733  
1 1 1 -5  97  13 o 35.812  6.8491  766.172    255.981  754.507    426.265  772.752    320.133  33.958  10.512  35.182  8.4970  -1.223648      13.51684  
1 1 1 -5  97  14 o 18.444  7.4498  116.040    230.039  56.733     399.651  145.425    281.314  21.495  9.3105  20.258  8.2188  1.237242       12.41905  
1 1 1 -5  98  1  o 46.260  4.5522  1196.84    225.128  1333.43    333.592  1082.61    305.074  48.070  6.5799  43.171  6.7452  4.899574       9.422997  
1 1 1 -5  98  2  o 84.485  3.1794  3910.28    290.939  4201.23    422.422  3647.72    401.290  86.966  4.5001  80.976  4.5944  5.989761       6.431067  
1 1 1 -5  98  3  o 124.869 3.2520  8547.58    439.827  8323.79    621.755  8771.75    622.265  122.427 4.6889  125.757 4.5685  -3.330406      6.546537  
1 1 1 -5  98  4  o 77.608  3.3843  3306.02    284.478  3140.22    401.984  3472.37    402.642  74.904  4.9833  78.904  4.7333  -4.000023      6.872946  
1 1 1 -5  98  5  o 15.990  6.7028  39.584     195.444  -1.0495    271.881  83.036     281.152  17.738  7.6812  19.401  8.0781  -1.662842      11.14703  
1 1 1 -5  98  6  o 83.667  3.2100  3839.00    290.893  3941.38    411.572  3736.82    411.199  84.140  4.5329  81.860  4.6570  2.280479       6.498868  
1 1 1 -5  98  7  o 61.815  3.8435  2115.83    256.058  2342.47    387.514  1940.19    341.142  64.272  5.6232  58.539  5.4428  5.733757       7.825921  
1 1 1 -5  98  8  o 16.189  6.7428  50.481     195.961  319.222    290.225  -174.6967  265.663  24.258  8.6968  15.086  6.9636  9.171747       11.14118  
1 1 1 -5  98  9  o 40.078  5.4941  920.552    232.214  991.130    325.650  847.537    331.223  40.626  7.6821  37.154  8.4248  3.471867       11.40144  
1 1 1 -5  98  10 o 21.145  7.6074  234.478    222.256  430.566    304.148  9.7825     325.580  26.880  8.9366  19.263  8.3736  7.616922       12.24667  
1 1 1 -5  98  11 f 17.081  7.3029  27.251     239.849  144.890    394.730  -41.6052   301.992  22.722  9.5251  17.863  7.9041  4.859528       12.37752  
1 1 1 -5  98  12 o 69.918  3.9950  2721.40    301.278  2575.90    472.891  2820.80    390.872  66.445  6.6607  70.563  5.1499  -4.117943      8.419393  
1 1 1 -5  98  13 o 71.128  3.9292  2814.60    301.527  2819.23    462.744  2811.19    397.500  69.847  6.1805  70.357  5.2541  -0.5100250     8.112038  
1 1 1 -5  99  1  o 48.412  4.2378  1305.52    219.970  1093.54    338.303  1460.78    289.530  42.997  7.5392  50.832  5.3385  -7.835125      9.237925  
1 1 1 -5  99  2  o 140.882 3.3659  10893.99   513.597  10845.91   728.897  10941.40   723.801  139.594 4.8209  140.251 4.7648  -0.6569977     6.778202  
1 1 1 -5  99  3  o 18.188  7.0264  135.017    196.452  112.787    292.775  153.223    264.955  20.222  8.3151  20.312  8.0659  -0.8993340E-01 11.58448  
1 1 1 -5  99  4  o 62.133  3.7135  2133.17    248.758  2307.94    374.465  1995.12    332.804  63.916  5.4616  59.507  5.2162  4.408661       7.552389  
1 1 1 -5  99  5  o 18.693  7.0813  155.396    196.976  201.165    306.002  123.013    257.394  22.116  8.7042  19.492  7.8779  2.623508       11.73985  
1 1 1 -5  99  6  o 70.550  3.5893  2747.28    273.367  2618.89    386.627  2875.64    386.571  68.135  5.2803  71.549  5.0201  -3.414070      7.285844  
1 1 1 -5  99  7  o 72.368  3.3941  2879.70    266.036  2779.54    377.431  2978.60    375.043  70.328  4.9873  72.923  4.7748  -2.594810      6.904469  
1 1 1 -5  99  8  o 36.358  5.9193  766.648    225.076  1010.19    316.782  518.369    319.850  41.181  7.3730  29.113  9.1214  12.06802       11.72867  
1 1 1 -5  99  9  f 31.053  6.8560  576.023    224.426  811.874    315.365  334.029    319.446  36.403  8.1959  24.861  9.0940  11.54224       12.24231  
1 1 1 -5  99  10 o 49.546  4.9458  1389.74    261.862  1434.99    375.351  1346.84    365.503  49.182  7.2650  47.589  7.3261  1.593002       10.31758  
1 1 1 -5  99  11 o 28.716  7.7378  504.209    246.094  323.728    389.398  624.232    317.548  25.466  9.8772  31.556  8.9036  -6.090031      13.29784  
1 1 1 -5  99  12 o 39.278  6.3150  904.800    259.550  939.480    441.290  886.457    320.930  37.869  10.428  38.023  8.0439  -0.1544609     13.16993  
1 1 1 -5  100 1  o 73.852  3.2982  2993.80    263.819  3030.45    384.516  2961.21    362.638  73.585  4.8517  72.846  4.6201  0.7390900      6.699593  
1 1 1 -5  100 2  o 46.450  4.4344  1207.37    220.387  1284.72    315.587  1133.75    307.902  47.174  6.3369  44.137  6.6469  3.036316       9.183536  
1 1 1 -5  100 3  o 25.506  6.9305  386.419    196.447  158.110    302.530  552.870    258.315  21.221  8.5532  30.235  7.8270  -9.014473      11.59388  
1 1 1 -5  100 4  o 69.248  3.6500  2648.34    272.793  2546.19    422.051  2721.64    357.508  66.869  5.8874  69.733  4.7619  -2.863937      7.572125  
1 1 1 -5  100 5  o 51.747  4.3530  1495.83    241.709  1679.79    354.160  1335.44    330.701  54.069  6.1573  47.968  6.5353  6.101265       8.979040  
1 1 1 -5  100 6  o 66.060  3.5035  2408.68    249.784  2265.12    353.080  2552.51    353.415  63.347  5.1917  67.428  4.8720  -4.080631      7.119670  
1 1 1 -5  100 7  o 52.603  4.0492  1540.86    228.931  1460.22    326.761  1618.60    320.834  50.329  6.1203  53.250  5.6490  -2.920448      8.328843  
1 1 1 -5  100 8  o 30.864  6.8327  568.718    222.374  715.905    313.898  420.425    315.073  34.016  8.5341  26.732  9.0964  7.284302       12.47301  
1 1 1 -5  100 9  o 47.488  5.1771  1282.64    261.967  1139.64    368.943  1428.04    372.030  43.252  8.1751  49.101  7.2103  -5.848660      10.90050  
1 1 1 -5  100 10 o 88.279  3.4856  4296.85    333.280  4404.54    486.792  4201.82    457.253  88.351  5.1088  86.423  4.9051  1.927368       7.082388  
1 1 1 -5  100 11 o 92.654  3.5856  4739.90    359.830  5020.36    546.347  4525.05    478.189  94.100  5.3829  89.639  4.9444  4.461266       7.309089  
1 1 1 -5  101 1  o 102.253 3.2007  5737.71    354.478  5463.87    502.692  6008.55    499.935  99.041  4.6862  104.009 4.4378  -4.968460      6.454014  
1 1 1 -5  101 2  o 78.082  3.3476  3350.08    283.111  3344.82    423.468  3354.33    380.698  77.141  5.0971  77.536  4.5532  -0.3950500     6.834601  
1 1 1 -5  101 3  o 53.031  3.9644  1562.62    226.061  1526.12    331.742  1594.26    308.878  51.554  6.0565  52.980  5.4611  -1.425961      8.155047  
1 1 1 -5  101 4  o 21.128  7.0796  248.553    190.822  232.835    282.269  261.783    258.961  22.233  8.4638  22.482  8.1934  -0.2487736     11.77997  
1 1 1 -5  101 5  o 73.696  3.4767  2989.60    277.509  3095.74    412.728  2902.02    374.906  74.108  5.1744  71.919  4.8411  2.189911       7.085974  
1 1 1 -5  101 6  o 52.200  4.1401  1519.45    232.156  1290.67    316.800  1784.82    341.191  47.161  6.3645  55.906  5.7151  -8.744450      8.553882  
1 1 1 -5  101 7  f 35.118  5.8968  717.023    216.342  527.089    296.970  931.814    315.805  29.269  8.7170  39.312  7.6925  -10.04265      11.62585  
1 1 1 -5  101 8  o 48.230  5.0827  1319.75    261.516  1491.36    371.131  1150.52    368.560  50.339  6.9962  43.522  8.1172  6.816429       10.71611  
1 1 1 -5  101 9  o 90.322  3.6371  4503.61    355.806  4282.64    490.505  4749.01    516.902  87.065  5.2257  91.696  5.2262  -4.631233      7.390621  
1 1 1 -5  101 10 o 29.755  7.3025  536.208    233.591  494.546    349.175  569.957    314.270  28.513  9.5766  30.252  8.9577  -1.738165      13.11305  
1 1 1 -5  102 1  o 24.829  6.9758  366.468    195.357  364.896    303.420  367.581    255.318  25.437  8.9145  25.083  8.1807  0.3545971      12.09924  
1 1 1 -5  102 2  o 26.543  6.7256  419.698    193.589  336.456    291.437  485.430    258.980  24.652  8.7280  28.289  8.0613  -3.636562      11.88117  
1 1 1 -5  102 3  o 44.415  4.5043  1108.01    213.688  964.964    314.318  1230.93    291.384  40.183  7.4977  46.249  5.9552  -6.066032      9.574961  
1 1 1 -5  102 4  o 47.562  4.3102  1265.87    219.627  1572.14    322.579  1001.21    299.863  52.414  5.7783  41.181  6.9716  11.23249       9.054898  
1 1 1 -5  102 5  o 19.257  7.0533  183.508    192.253  275.124    284.725  106.735    260.641  23.129  8.5645  19.169  7.8595  3.959808       11.62425  
1 1 1 -5  102 6  o 35.334  5.9356  726.220    219.104  805.562    339.568  669.623    286.794  35.994  8.7869  33.058  8.0784  2.935974       11.93612  
1 1 1 -5  102 7  o 45.165  5.0019  1156.37    240.574  1094.97    349.358  1211.74    331.768  42.609  7.8596  45.339  6.9800  -2.729420      10.51155  
1 1 1 -5  102 8  o 41.928  5.5301  1008.64    245.006  963.786    335.319  1060.01    358.860  39.793  8.0564  41.681  8.2411  -1.888142      11.52476  
1 1 1 -5  102 9  o 41.816  5.3512  1000.22    236.802  817.543    331.648  1190.21    338.226  36.324  8.5686  44.771  7.2206  -8.447365      11.20524  
1 1 1 -5  103 1  o 85.698  3.3152  4037.96    307.716  3925.18    442.641  4143.45    428.076  83.617  4.9090  86.097  4.6072  -2.480667      6.732399  
1 1 1 -5  103 2  o 53.523  4.0666  1595.54    233.982  1711.05    336.216  1487.06    325.830  54.701  5.7615  50.828  6.0366  3.872761       8.344723  
1 1 1 -5  103 3  o 22.357  7.3845  284.721    207.797  624.913    300.974  -25.1442   287.245  31.811  8.5510  17.728  7.7819  14.08340       11.56192  
1 1 1 -5  103 4  o 27.878  6.7006  463.569    199.817  552.620    295.680  388.716    271.087  29.963  8.6372  25.695  8.4319  4.267918       12.07054  
1 1 1 -5  103 5  o 43.484  4.6441  1065.61    215.343  1045.98    313.046  1083.25    296.693  42.015  7.1343  43.041  6.5728  -1.026192      9.700462  
1 1 1 -5  103 6  o 71.380  3.5594  2808.69    275.189  2927.39    393.323  2694.86    385.156  72.066  5.0714  69.069  5.1864  2.996590       7.253774  
1 1 1 -5  103 7  o 57.460  4.2248  1842.54    261.083  1708.38    354.854  2000.89    385.501  54.442  6.1242  58.961  6.1259  -4.519253      8.662163  
1 1 1 -5  104 1  o 34.537  5.5975  688.577    202.224  719.311    283.218  656.611    288.841  34.448  7.7752  32.745  8.1705  1.702553       11.27884  
1 1 1 -5  104 2  o 107.118 3.2271  6303.06    374.409  6113.72    532.172  6488.63    526.857  104.673 4.6940  107.960 4.5057  -3.286926      6.506538  
1 1 1 -5  104 3  o 73.900  3.4567  3006.46    276.676  3034.66    413.716  2983.64    372.135  73.308  5.2451  72.963  4.7346  0.3455124      7.065968  
1 1 1 -5  104 4  o 87.383  3.2488  4195.90    307.482  4303.91    444.953  4097.17    425.396  87.695  4.7017  85.614  4.6044  2.081291       6.580784  
1 1 1 -5  104 5  o 59.639  3.9118  1975.17    251.285  2154.67    350.048  1784.33    360.943  61.684  5.2907  55.703  6.0814  5.980480       8.060657  
1 1 1 -4  0   1  o 257.860 6.5543  36091.80   1827.88  36091.80   1827.88  36091.80   1827.88  257.860 6.5543  257.860 6.5543  -0.000000      0.000000  
1 1 1 -4  0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   5  o 330.633 8.1280  59360.44   2906.74  59360.44   2906.74  59360.44   2906.74  330.633 8.1280  330.633 8.1280  -0.000000      0.000000  
1 1 1 -4  0   6  o 162.141 4.7589  14279.37   834.108  14279.37   834.108  14279.37   834.108  162.141 4.7589  162.141 4.7589  0.000000       0.000000  
1 1 1 -4  0   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   8  o 291.130 7.2787  46021.73   2291.92  46021.73   2291.92  46021.73   2291.92  291.130 7.2787  291.130 7.2787  -0.000000      0.000000  
1 1 1 -4  0   9  o 161.028 4.7083  14081.61   819.586  14081.61   819.586  14081.61   819.586  161.028 4.7083  161.028 4.7083  0.000000       0.000000  
1 1 1 -4  0   10 o 266.306 6.7701  38494.93   1949.91  38494.93   1949.91  38494.93   1949.91  266.306 6.7701  266.306 6.7701  -0.000000      0.000000  
1 1 1 -4  0   11 o 208.444 5.6092  23586.73   1264.30  23586.73   1264.30  23586.73   1264.30  208.444 5.6092  208.444 5.6092  0.000000       0.000000  
1 1 1 -4  0   12 o 579.898 16.250  182949.41  10188.64 182949.41  10188.64 182949.41  10188.64 579.898 16.250  579.898 16.250  0.000000       0.000000  
1 1 1 -4  0   13 o 526.677 17.688  151170.80  10063.99 151170.80  10063.99 151170.80  10063.99 526.677 17.688  526.677 17.688  -0.000000      0.000000  
1 1 1 -4  0   14 o 70.721  3.0304  2723.75    231.158  2723.75    231.158  2723.75    231.158  70.721  3.0304  70.721  3.0304  -0.000000      0.000000  
1 1 1 -4  0   15 o 282.603 7.1578  43365.92   2187.75  43365.92   2187.75  43365.92   2187.75  282.603 7.1578  282.603 7.1578  0.000000       0.000000  
1 1 1 -4  0   16 o 94.972  3.7190  4908.31    381.224  4908.31    381.224  4908.31    381.224  94.972  3.7190  94.972  3.7190  0.000000       0.000000  
1 1 1 -4  0   17 o 642.520 15.085  225152.70  10484.53 225152.70  10484.53 225152.70  10484.53 642.520 15.085  642.520 15.085  0.000000       0.000000  
1 1 1 -4  0   18 o 413.720 9.9299  93121.61   4443.80  93121.61   4443.80  93121.61   4443.80  413.720 9.9299  413.720 9.9299  -0.000000      0.000000  
1 1 1 -4  0   19 o 378.635 9.2031  78005.52   3769.18  78005.52   3769.18  78005.52   3769.18  378.635 9.2031  378.635 9.2031  0.000000       0.000000  
1 1 1 -4  0   20 o 124.914 4.3374  8487.00    585.224  8487.00    585.224  8487.00    585.224  124.914 4.3374  124.914 4.3374  0.000000       0.000000  
1 1 1 -4  0   21 o 25.787  8.7181  466.084    217.879  466.084    217.879  466.084    217.879  25.787  8.7181  25.787  8.7181  -0.000000      0.000000  
1 1 1 -4  0   22 o 133.358 4.4643  9673.45    643.185  9673.45    643.185  9673.45    643.185  133.358 4.4643  133.358 4.4643  -0.000000      0.000000  
1 1 1 -4  0   23 o 50.074  5.2305  1404.05    276.595  1404.05    276.595  1404.05    276.595  50.074  5.2305  50.074  5.2305  0.000000       0.000000  
1 1 1 -4  0   24 o 66.787  2.9379  2431.25    211.587  2431.25    211.587  2431.25    211.587  66.787  2.9379  66.787  2.9379  0.000000       0.000000  
1 1 1 -4  0   25 o 49.977  5.3241  1402.06    279.965  1402.06    279.965  1402.06    279.965  49.977  5.3241  49.977  5.3241  -0.000000      0.000000  
1 1 1 -4  0   26 o 72.000  4.3331  2845.95    335.107  2845.95    335.107  2845.95    335.107  72.000  4.3331  72.000  4.3331  -0.000000      0.000000  
1 1 1 -4  0   27 o 56.523  2.8605  1746.55    174.096  1746.55    174.096  1746.55    174.096  56.523  2.8605  56.523  2.8605  0.000000       0.000000  
1 1 1 -4  0   28 o 14.073  8.7655  74.433     270.776  74.433     270.776  74.433     270.776  14.073  8.7655  14.073  8.7655  0.000000       0.000000  
1 1 1 -4  0   29 o 62.326  5.3458  2171.10    354.767  2171.10    354.767  2171.10    354.767  62.326  5.3458  62.326  5.3458  -0.000000      0.000000  
1 1 1 -4  0   30 o ?       ?       -136.1997  28.246   -136.1997  28.246   -136.1997  28.246   ?       ?       ?       ?       -0.000000      0.000000  
1 1 1 -4  0   31 o 19.847  10.306  332.183    287.278  332.183    287.278  332.183    287.278  19.847  10.306  19.847  10.306  -0.000000      0.000000  
1 1 1 -4  0   32 o 81.317  3.5195  3632.20    308.662  3632.20    308.662  3632.20    308.662  81.317  3.5195  81.317  3.5195  0.000000       0.000000  
1 1 1 -4  0   33 o 33.981  9.6714  798.237    308.422  798.237    308.422  798.237    308.422  33.981  9.6714  33.981  9.6714  -0.000000      0.000000  
1 1 1 -4  0   34 o 44.748  2.2972  1100.34    110.667  1100.34    110.667  1100.34    110.667  44.748  2.2972  44.748  2.2972  0.000000       0.000000  
1 1 1 -4  0   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   3  o 195.888 3.7373  20786.12   792.935  20290.65   1121.17  21281.96   1121.59  193.512 5.3492  198.185 5.2251  -4.673264      7.477696  
1 1 1 -4  1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   5  o 69.358  2.3892  2605.56    179.478  2718.17    253.751  2492.83    253.889  70.836  3.3074  67.747  3.4718  3.089645       4.794976  
1 1 1 -4  1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   7  o 360.509 7.7988  70534.31   3045.17  71243.03   4762.04  70044.02   3960.85  361.763 12.153  358.983 10.187  2.780792       15.85809  
1 1 1 -4  1   8  o 262.869 4.7140  37445.82   1342.15  36946.42   1898.07  37945.23   1898.10  261.023 6.7137  264.532 6.6247  -3.509338      9.431924  
1 1 1 -4  1   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   10 o 389.838 8.4335  82396.89   3560.92  81047.66   4636.38  84337.54   5560.44  386.471 11.076  394.087 13.027  -7.615387      17.09935  
1 1 1 -4  1   11 o 753.172 24.958  310215.00  20360.13 0.0000     0.0000   310215.00  20360.13 ?       ?       753.172 24.958  0.000000       24.95837  
1 1 1 -4  1   12 f 705.901 11.621  270472.00  8885.05  276137.19  12565.49 264807.09  12565.22 712.470 16.283  697.633 16.629  14.83679       23.27398  
1 1 1 -4  1   13 o 332.853 8.1703  60074.91   2945.52  60528.67   4165.24  59621.00   4165.97  333.899 11.517  331.380 11.607  2.519440       16.35153  
1 1 1 -4  1   14 o 246.622 4.8920  32956.17   1306.74  33301.97   1993.36  32695.58   1730.42  247.827 7.4262  245.595 6.5052  2.231644       9.872506  
1 1 1 -4  1   15 o 557.299 9.2781  168615.50  5600.37  171495.41  7920.17  165735.59  7920.07  561.361 13.026  551.807 13.252  9.554443       18.58207  
1 1 1 -4  1   16 o 452.352 7.6218  111051.40  3734.24  110784.40  5280.87  111318.40  5281.17  451.320 10.803  452.411 10.778  -1.090942      15.25999  
1 1 1 -4  1   17 o 416.900 7.0595  94349.38   3187.70  90588.88   4507.42  98112.12   4508.77  407.980 10.200  424.663 9.8026  -16.68359      14.14711  
1 1 1 -4  1   18 o 235.817 4.3614  30149.15   1113.97  30013.68   1573.94  30285.11   1576.85  235.155 6.1796  236.217 6.1632  -1.062347      8.727746  
1 1 1 -4  1   19 o 146.093 3.4594  11568.15   547.395  11545.62   722.122  11598.58   839.291  145.906 4.5695  146.203 5.3001  -0.2975006     6.997962  
1 1 1 -4  1   20 o 390.486 6.6586  82870.53   2816.16  79653.79   3982.22  86088.68   3983.09  382.093 9.6224  397.338 9.2553  -15.24429      13.35110  
1 1 1 -4  1   21 o 243.710 4.7564  32231.32   1255.51  31141.27   1912.54  33056.81   1664.35  239.208 7.3819  246.630 6.2306  -7.422104      9.659812  
1 1 1 -4  1   22 o 106.017 2.8302  6091.92    324.982  6230.16    459.650  5953.74    459.536  107.170 3.9599  104.762 4.0499  2.408379       5.664143  
1 1 1 -4  1   23 o 65.182  2.4940  2302.71    176.076  2351.85    322.426  2281.82    210.184  65.657  4.5623  64.875  2.9912  0.7821884      5.455448  
1 1 1 -4  1   24 o 100.166 2.9904  5441.19    324.427  5514.33    460.809  5369.31    456.835  100.766 4.2222  99.431  4.2420  1.335068       5.985096  
1 1 1 -4  1   25 o 95.208  2.8101  4917.39    289.773  4809.70    387.727  5053.65    436.133  94.092  3.8045  96.418  4.1763  -2.325508      5.649433  
1 1 1 -4  1   26 o 63.145  2.4500  2163.39    167.559  2175.61    200.182  2134.79    306.241  63.298  2.9199  62.418  4.5614  0.8796844      5.415911  
1 1 1 -4  1   27 o 78.230  2.6127  3324.38    221.379  3029.40    370.865  3487.68    275.932  74.297  4.6317  80.069  3.1817  -5.772606      5.619281  
1 1 1 -4  1   28 o 49.911  4.1979  1372.06    224.828  1289.25    317.909  1454.91    318.000  47.871  6.2831  51.016  5.8615  -3.144718      8.592711  
1 1 1 -4  1   29 o 122.062 3.2277  8130.45    426.719  8623.20    603.462  7637.67    603.481  125.280 4.4473  117.794 4.7301  7.486748       6.492501  
1 1 1 -4  1   30 o 83.052  2.4950  3756.26    224.432  3776.36    317.257  3736.12    317.532  83.044  3.5272  82.595  3.5495  0.4494095      5.003983  
1 1 1 -4  1   31 o 82.515  3.3268  3734.07    297.325  3794.71    420.012  3673.17    420.951  82.537  4.7179  81.155  4.8104  1.381172       6.737884  
1 1 1 -4  1   32 o 33.854  1.2316  621.995    45.161   458.621    63.689   787.207    64.047   28.944  2.0447  38.061  1.5536  -9.116875      2.567985  
1 1 1 -4  1   33 o 14.164  6.3259  -54.7530   198.033  -146.2661  279.410  37.618     280.717  15.700  7.2082  18.284  7.8612  -2.584590      10.66567  
1 1 1 -4  1   34 o 35.183  2.0972  680.434    79.557   651.812    82.253   1095.70    313.306  34.402  2.2193  41.881  7.1644  -7.478432      7.500268  
1 1 1 -4  1   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   5  o 171.283 3.4602  15893.10   641.930  16014.62   907.874  15771.61   907.777  171.909 4.8759  170.599 4.9128  1.310104       6.921734  
1 1 1 -4  2   6  o 402.347 6.8050  87805.32   2965.50  88412.86   5930.78  87602.78   3424.30  402.795 13.594  401.776 7.8690  1.018829       15.70750  
1 1 1 -4  2   7  o 385.924 6.5062  80777.23   2719.58  80373.78   5438.94  80911.73   3140.34  384.094 13.074  386.150 7.5085  -2.056152      15.07663  
1 1 1 -4  2   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   9  o 163.955 3.4252  14561.05   608.252  14784.52   905.381  14377.22   821.167  165.184 5.0605  162.900 4.6542  2.284576       6.875299  
1 1 1 -4  2   10 o 157.415 3.2785  13421.77   558.979  13666.80   789.824  13175.88   791.209  158.832 4.5911  155.953 4.6841  2.879837       6.558935  
1 1 1 -4  2   11 f 257.522 4.9025  35927.89   1367.41  34556.97   2090.07  36953.80   1808.05  252.492 7.6426  261.138 6.3925  -8.645493      9.963632  
1 1 1 -4  2   12 o 236.845 5.4583  30393.95   1400.21  30091.07   3094.25  30471.94   1570.17  235.111 12.193  237.133 6.1134  -2.022430      13.63965  
1 1 1 -4  2   13 o 617.245 14.475  207147.00  9676.91  214495.59  13685.31 199798.59  13685.13 626.934 20.154  604.903 20.888  22.03101       29.02562  
1 1 1 -4  2   14 o 306.613 5.3951  50945.11   1791.68  51805.92   2533.72  50084.15   2533.92  309.095 7.5683  303.909 7.6980  5.186462       10.79530  
1 1 1 -4  2   15 o 111.617 2.9705  6748.56    359.116  6752.09    506.588  6745.00    509.156  111.632 4.1898  111.573 4.2133  0.5895996E-01  5.941928  
1 1 1 -4  2   16 o 119.443 3.0112  7728.73    389.558  7847.77    549.695  7608.64    552.150  120.340 4.2174  118.491 4.3023  1.849205       6.024629  
1 1 1 -4  2   17 o 314.558 5.4952  53662.45   1872.20  51614.30   2646.57  55714.05   2648.80  308.256 7.9269  320.299 7.6353  -12.04333      11.00603  
1 1 1 -4  2   18 o 128.974 3.0533  9013.31    426.517  8175.09    599.080  9874.91    607.379  122.791 4.5045  134.967 4.1549  -12.17532      6.128132  
1 1 1 -4  2   19 o 75.097  2.9038  3055.94    236.192  3275.10    327.652  2818.85    340.786  77.627  3.9095  71.964  4.3932  5.662415       5.880865  
1 1 1 -4  2   20 o 493.651 8.9178  132817.20  4768.13  131679.30  7394.33  133627.09  6238.40  489.280 13.953  494.039 11.658  -4.758881      18.18266  
1 1 1 -4  2   21 o 341.546 5.9236  63375.64   2191.30  63422.48   3098.62  63328.79   3099.32  341.127 8.3865  340.873 8.3947  0.2541504      11.86609  
1 1 1 -4  2   22 o 305.876 5.3909  50821.34   1785.96  50824.81   2526.02  50817.88   2525.44  305.422 7.6360  305.401 7.6348  0.2053833E-01  10.79809  
1 1 1 -4  2   23 o 87.218  2.9170  4123.91    275.558  4089.92    383.198  4160.32    396.540  86.813  4.0754  87.553  4.1817  -0.7392273     5.839076  
1 1 1 -4  2   24 o 210.449 4.2232  24052.78   962.629  24567.38   1285.63  23396.11   1452.28  212.464 5.5868  207.162 6.4725  5.301559       8.550141  
1 1 1 -4  2   25 o 96.190  2.9891  5020.48    311.417  4921.98    439.867  5119.46    440.954  95.145  4.2684  97.041  4.1953  -1.896469      5.984998  
1 1 1 -4  2   26 o 66.706  3.1049  2417.04    224.330  2625.97    317.190  2207.96    317.311  69.310  4.2457  63.470  4.6481  5.840115       6.295313  
1 1 1 -4  2   27 f 53.217  1.8578  1536.08    107.082  973.835    278.241  1633.83    116.018  41.574  6.3832  54.880  1.9518  -13.30614      6.674947  
1 1 1 -4  2   28 o 107.297 3.0352  6267.72    352.733  6151.36    479.422  6405.06    520.827  106.047 4.1740  108.140 4.4467  -2.092415      6.098772  
1 1 1 -4  2   29 o 65.581  3.6036  2358.31    254.990  2237.09    359.175  2481.49    362.064  63.420  5.2768  66.892  5.0343  -3.472111      7.293022  
1 1 1 -4  2   30 o 118.548 3.1316  7677.63    402.094  7567.68    568.110  7788.00    569.185  117.164 4.4768  118.884 4.4204  -1.719536      6.291385  
1 1 1 -4  2   31 o 62.328  3.7424  2144.90    251.471  1928.18    354.732  2363.82    356.541  58.352  5.6850  64.918  5.1122  -6.565868      7.645463  
1 1 1 -4  2   32 f 15.501  6.4687  43.815     180.854  123.007    236.238  -68.3146   281.106  18.858  7.5732  16.920  7.5483  1.937935       10.69257  
1 1 1 -4  2   33 o 45.148  4.7444  1158.84    228.534  892.855    320.504  1433.95    325.956  37.926  8.0514  49.483  6.2192  -11.55703      10.17364  
1 1 1 -4  2   34 o 44.532  4.8557  1151.22    230.411  1095.96    324.269  1207.56    327.455  41.653  7.4617  44.045  7.1060  -2.391155      10.30399  
1 1 1 -4  2   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   2  o 190.861 3.6862  19732.49   762.013  19381.93   1077.47  20083.27   1077.82  189.133 5.2598  192.527 5.1688  -3.393188      7.374378  
1 1 1 -4  3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   4  o 191.688 3.7074  19905.11   769.728  19947.15   888.855  19779.03   1539.20  191.881 4.2769  190.991 7.4406  0.8893890      8.582256  
1 1 1 -4  3   5  o 320.222 5.5182  55578.03   1913.89  55382.33   2706.76  55773.70   2706.53  319.524 7.8212  320.653 7.7930  -1.128937      11.04098  
1 1 1 -4  3   6  o 626.446 14.757  214097.80  10012.69 0.0000     0.0000   214097.80  10012.69 ?       ?       626.446 14.757  0.000000       14.75697  
1 1 1 -4  3   7  o 134.900 2.8842  9858.09    421.417  8913.47    842.130  10173.67   486.746  128.211 6.0644  137.037 3.2794  -8.826019      6.894266  
1 1 1 -4  3   8  o 221.519 4.0965  26587.23   982.864  25929.71   1965.32  26806.53   1134.99  218.599 8.3007  222.414 4.7115  -3.814331      9.544628  
1 1 1 -4  3   9  o 684.025 15.895  254693.00  11776.08 233978.59  16653.33 275410.09  16654.46 653.627 23.523  709.741 21.665  -56.11432      31.98014  
1 1 1 -4  3   10 o 356.476 6.0956  68859.09   2353.53  66284.27   3327.94  71435.32   3328.84  349.635 8.7880  362.982 8.4672  -13.34732      12.20336  
1 1 1 -4  3   11 o 397.783 6.7442  85751.95   2905.67  83820.33   4108.78  87684.44   4109.69  393.130 9.6495  402.103 9.4363  -8.972443      13.49657  
1 1 1 -4  3   12 o 865.199 20.099  408179.09  18834.74 408179.09  18834.74 0.0000     0.0000   865.199 20.099  ?       ?       0.000000       20.09896  
1 1 1 -4  3   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   14 o 728.651 12.902  288601.41  10182.42 288991.00  13293.57 288048.19  15838.73 728.187 16.855  726.015 20.142  2.172058       26.26395  
1 1 1 -4  3   15 o 370.731 6.8163  74532.67   2737.01  74750.92   4228.06  74375.24   3590.94  370.926 10.524  370.157 8.9568  0.7687988      13.81955  
1 1 1 -4  3   16 o 378.989 6.9232  77923.39   2841.85  77984.27   3727.88  77838.92   4391.03  378.894 9.0839  378.314 10.716  0.5800781      14.04836  
1 1 1 -4  3   17 o 346.561 6.4757  65174.13   2430.71  63158.49   3192.35  67954.84   3749.58  340.891 8.6462  353.418 9.7954  -12.52737      13.06551  
1 1 1 -4  3   18 o 218.979 4.1199  25994.39   977.148  24894.65   1380.07  27099.98   1383.73  214.181 5.9491  223.484 5.7165  -9.303284      8.250484  
1 1 1 -4  3   19 o 364.920 6.2751  72315.65   2480.19  71319.55   3506.75  73312.63   3508.29  361.884 8.9468  366.933 8.8275  -5.048798      12.56860  
1 1 1 -4  3   20 o 331.864 5.7822  59803.96   2078.36  62129.67   2938.94  57477.25   2939.57  337.833 8.0319  324.869 8.3542  12.96381       11.58896  
1 1 1 -4  3   21 f 251.226 4.5895  34245.23   1248.83  33826.68   1765.94  34663.95   1766.29  249.440 6.5364  252.520 6.4580  -3.079819      9.188574  
1 1 1 -4  3   22 o 194.285 3.8090  20472.70   801.532  20331.48   1134.13  20613.63   1132.95  193.464 5.4124  194.806 5.3695  -1.342453      7.624059  
1 1 1 -4  3   23 o 212.507 4.3388  24513.65   998.649  24753.75   1332.06  24205.52   1509.04  213.353 5.7644  210.840 6.6081  2.512894       8.769011  
1 1 1 -4  3   24 o 148.531 3.3010  11968.21   531.046  12123.80   752.108  11813.52   749.921  149.366 4.6490  147.437 4.6961  1.928879       6.608068  
1 1 1 -4  3   25 o 55.512  2.3408  1670.82    140.743  1580.42    161.027  1963.39    289.673  53.905  2.7673  59.912  4.4968  -6.006908      5.280079  
1 1 1 -4  3   26 o 48.570  1.8046  1278.86    94.936   1240.85    134.223  1316.91    134.295  47.745  2.6054  49.198  2.5288  -1.452747      3.630797  
1 1 1 -4  3   27 o 126.118 3.1566  8652.39    431.186  8582.98    602.199  8725.40    617.673  125.339 4.4359  126.355 4.5133  -1.016113      6.328284  
1 1 1 -4  3   28 o 31.887  1.6614  553.004    57.181   555.209    58.333   498.817    289.174  31.948  1.6918  29.401  8.5609  2.547413       8.726501  
1 1 1 -4  3   29 o 51.968  4.1008  1489.52    228.942  1465.51    322.756  1513.83    324.800  51.041  5.9499  51.907  5.8810  -0.8662796     8.365845  
1 1 1 -4  3   30 o 32.818  1.4901  584.426    52.967   693.510    74.887   475.221    74.928   35.672  1.9456  29.455  2.3687  6.217199       3.065248  
1 1 1 -4  3   31 o 40.077  5.1375  909.311    217.871  928.859    306.599  889.372    309.656  39.645  7.4128  38.670  7.6641  0.9748001      10.66247  
1 1 1 -4  3   32 o 45.884  4.6123  1185.12    226.115  1489.56    318.782  876.850    320.777  50.922  5.8885  37.944  8.0543  12.97783       9.977279  
1 1 1 -4  3   33 o 45.094  2.3348  1114.79    113.644  1604.88    323.044  1045.57    121.404  52.652  5.7586  43.608  2.5819  9.043663       6.310878  
1 1 1 -4  3   34 o 22.413  1.4522  274.682    35.064   275.193    35.308   238.193    298.434  22.432  1.4612  21.579  8.5631  0.8530312      8.686887  
1 1 1 -4  3   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  4   1  o 240.152 4.6861  31245.15   1218.89  31400.52   1860.53  31128.33   1613.33  240.686 7.1370  239.667 6.2151  1.019089       9.463796  
1 1 1 -4  4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  4   3  o 337.087 5.8242  61577.13   2126.43  62448.70   2455.38  58962.30   4252.93  339.428 6.6788  329.497 11.917  9.931091       13.66093  
1 1 1 -4  4   4  o 168.334 3.3877  15349.67   617.658  15392.25   873.561  15307.11   873.440  168.546 4.7853  168.079 4.7979  0.4670410      6.776316  
1 1 1 -4  4   5  o 425.763 7.1922  98310.78   3316.66  95161.55   4690.42  101460.10  4690.50  418.567 10.346  432.237 10.019  -13.67010      14.40221  
1 1 1 -4  4   6  o 393.899 6.7151  84155.20   2864.91  80432.28   4051.53  87878.36   4051.66  384.763 9.7220  402.233 9.3000  -17.47086      13.45392  
1 1 1 -4  4   7  o 224.334 4.3901  27272.20   1066.69  27763.13   2002.15  27077.61   1260.48  226.157 8.1736  223.501 5.2070  2.655701       9.691285  
1 1 1 -4  4   8  o 313.366 6.2709  53238.26   2128.38  0.0000     0.0000   53238.26   2128.38  ?       ?       313.366 6.2709  0.000000       6.270858  
1 1 1 -4  4   9  o 596.030 9.8637  192762.59  6367.61  194092.50  12734.61 192319.20  7352.80  596.345 19.716  595.148 11.407  1.196838       22.77783  
1 1 1 -4  4   10 o 614.102 10.153  204567.91  6753.07  200502.59  9550.13  208633.41  9550.43  607.447 14.515  619.682 14.229  -12.23480      20.32662  
1 1 1 -4  4   11 o 331.504 8.1127  59575.52   2912.89  57999.54   4118.62  61152.79   4120.28  326.911 11.632  335.698 11.332  -8.787109      16.23937  
1 1 1 -4  4   12 o 918.772 30.494  464407.19  30345.35 0.0000     0.0000   464407.19  30345.35 ?       ?       918.772 30.494  0.000000       30.49400  
1 1 1 -4  4   13 o 579.937 13.635  182785.09  8564.33  182596.59  12111.64 182973.70  12111.94 578.606 19.326  579.207 19.307  -0.6012573     27.31776  
1 1 1 -4  4   14 o 172.700 3.8298  16157.29   716.371  16384.77   1013.80  15930.44   1012.40  173.883 5.3830  171.454 5.4517  2.429153       7.661475  
1 1 1 -4  4   15 o 432.392 8.6218  101471.40  4037.82  96777.15   5709.80  106167.40  5710.87  421.767 12.499  441.844 11.933  -20.07751      17.28099  
1 1 1 -4  4   16 o 518.513 8.6568  146008.09  4861.71  143929.50  6875.13  148087.20  6875.85  514.065 12.348  521.479 12.174  -7.413574      17.33977  
1 1 1 -4  4   17 o 453.906 7.6486  111892.50  3760.26  113420.50  5317.56  110364.20  5318.07  456.364 10.758  450.138 10.908  6.225861       15.32040  
1 1 1 -4  4   18 o 206.108 4.1577  23028.86   928.149  22766.50   1237.12  23366.70   1403.82  204.847 5.5759  207.481 6.2469  -2.634140      8.373415  
1 1 1 -4  4   19 f 194.078 3.9946  20421.14   839.700  19820.59   1260.36  20900.45   1125.99  191.061 6.0905  196.259 5.2971  -5.197876      8.071757  
1 1 1 -4  4   20 o 239.335 4.4248  31069.85   1147.01  31564.58   1621.14  30573.93   1623.10  241.048 6.2093  237.223 6.3171  3.825684       8.857856  
1 1 1 -4  4   21 o 102.995 2.8668  5749.05    319.803  5938.31    466.216  5580.85    439.503  104.635 4.1138  101.441 4.0002  3.193855       5.737989  
1 1 1 -4  4   22 o 196.504 4.6079  20957.95   980.710  21847.02   1292.13  19749.84   1506.23  200.480 5.9506  190.436 7.3025  10.04338       9.419995  
1 1 1 -4  4   23 o 64.097  3.1357  2227.64    217.689  2288.87    321.557  2175.83    295.773  64.762  4.6144  63.162  4.3500  1.600166       6.341525  
1 1 1 -4  4   24 o 92.920  2.6425  4681.04    265.942  4342.83    373.709  5028.03    378.534  89.444  3.8576  96.254  3.6309  -6.810791      5.297575  
1 1 1 -4  4   25 f 98.575  2.8262  5271.54    301.746  5277.91    446.712  5266.19    409.216  98.530  4.1859  98.451  3.8376  0.7907104E-01  5.678808  
1 1 1 -4  4   26 o 16.814  0.9631  153.644    17.466   245.199    25.230   69.376     24.205   21.246  1.1002  11.131  2.0844  10.11518       2.356884  
1 1 1 -4  4   27 o 86.736  3.1534  4092.43    296.244  3817.28    409.246  4395.31    429.383  83.448  4.5450  89.695  4.4198  -6.246590      6.339736  
1 1 1 -4  4   28 o 105.643 3.0231  6075.89    345.914  6290.55    468.065  5817.55    513.476  107.275 4.0284  103.018 4.6019  4.257599       6.116036  
1 1 1 -4  4   29 o 34.707  5.7344  684.458    208.031  991.174    292.613  370.998    295.814  41.618  6.7204  26.083  8.8143  15.53534       11.08405  
1 1 1 -4  4   30 o 75.415  2.3785  3095.70    194.283  2906.37    274.101  3286.86    275.420  72.863  3.4732  77.531  3.2798  -4.668037      4.777067  
1 1 1 -4  4   31 o 70.410  3.4985  2722.65    266.803  2812.61    375.429  2630.86    379.234  70.930  4.9172  68.485  5.1503  2.444771       7.120734  
1 1 1 -4  4   32 o 53.362  4.1386  1588.27    237.328  1569.31    333.271  1607.78    338.044  52.225  6.0008  52.863  6.0110  -0.6373329     8.493588  
1 1 1 -4  4   33 o 65.612  2.6311  2360.12    186.979  2260.08    369.273  2394.61    216.830  62.737  5.4897  65.957  3.0352  -3.219795      6.272876  
1 1 1 -4  4   34 o 55.956  2.5337  1724.50    153.556  1769.37    170.672  1533.89    351.802  56.581  2.7850  50.085  6.6496  6.495998       7.209214  
1 1 1 -4  4   35 o 42.003  9.8553  1291.36    440.630  1291.36    440.630  0.0000     0.0000   42.003  9.8553  ?       ?       0.000000       9.855277  
1 1 1 -4  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  5   1  o 219.587 4.1315  26120.81   982.612  25035.81   1389.45  27206.36   1389.80  214.941 5.9683  224.071 5.7266  -9.129578      8.271318  
1 1 1 -4  5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  5   3  o 422.977 9.8498  97080.38   4512.49  86774.62   6380.74  107391.90  6382.51  399.407 14.750  444.518 13.257  -45.11099      19.83160  
1 1 1 -4  5   4  o 216.718 4.0564  25444.66   952.141  25525.63   1346.83  25363.77   1346.23  217.021 5.7298  216.331 5.7455  0.6896057      8.114310  
1 1 1 -4  5   5  o 356.261 6.1272  68808.52   2364.28  67931.70   3343.70  69685.25   3343.50  353.788 8.7260  358.335 8.6147  -4.547028      12.26198  
1 1 1 -4  5   6  o 367.237 6.2610  73134.23   2490.36  70008.96   3521.89  76259.54   3521.91  359.039 9.0566  374.767 8.6765  -15.72891      12.54209  
1 1 1 -4  5   7  o 205.844 3.7930  22957.83   845.647  20468.09   1688.72  23791.12   976.966  194.194 8.0288  209.531 4.3049  -15.33696      9.110079  
1 1 1 -4  5   8  o 183.611 3.5590  18263.66   707.784  16665.66   1413.60  18798.30   817.658  175.292 7.4455  186.269 4.0528  -10.97754      8.477100  
1 1 1 -4  5   9  o 276.095 4.8783  41301.02   1458.79  38352.44   2915.68  42285.59   1684.84  265.852 10.126  279.347 5.5686  -13.49506      11.55599  
1 1 1 -4  5   10 o 480.885 7.9694  125360.50  4150.86  124065.00  8300.91  125792.40  4793.16  477.661 16.045  481.633 9.1883  -3.972534      18.48952  
1 1 1 -4  5   11 o 78.189  2.5573  3311.10    216.572  2933.02    302.061  3711.06    310.679  73.486  3.8081  82.773  3.4654  -9.286804      5.148873  
1 1 1 -4  5   12 o 352.429 7.0255  67321.08   2681.77  68082.91   3228.26  65624.69   4817.27  354.353 8.4113  347.620 12.795  6.732361       15.31180  
1 1 1 -4  5   13 o 379.001 9.1650  77914.81   3762.22  80913.38   5320.65  74916.41   5320.51  385.936 12.729  371.313 13.229  14.62350       18.35851  
1 1 1 -4  5   14 o 909.323 17.263  450831.19  17002.36 457452.41  29449.14 447520.69  20823.49 909.873 29.883  904.405 21.258  5.468018       36.67263  
1 1 1 -4  5   15 o 142.296 3.2054  10968.83   494.029  10726.82   696.768  11213.50   700.573  140.696 4.5723  143.854 4.4964  -3.157806      6.412763  
1 1 1 -4  5   16 o 410.348 6.9641  91356.47   3095.21  90134.14   4376.94  92579.19   4377.63  407.210 9.9239  412.716 9.7930  -5.506256      13.94228  
1 1 1 -4  5   17 o 319.582 5.5823  55394.23   1932.26  55244.62   2732.05  55543.97   2733.19  318.906 7.9096  319.771 7.8915  -0.8650513     11.17311  
1 1 1 -4  5   18 o 132.564 3.1661  9522.40    454.587  9639.06    654.997  9413.99    631.417  133.331 4.5356  131.770 4.4242  1.561935       6.336016  
1 1 1 -4  5   19 o 223.195 4.1932  27011.51   1013.68  27063.91   1432.42  26958.95   1434.69  223.274 5.9233  222.838 5.9443  0.4353333      8.391650  
1 1 1 -4  5   20 o 191.469 3.7863  19876.60   785.198  20245.34   1109.72  19506.90   1111.16  193.129 5.3051  189.566 5.4118  3.563660       7.578409  
1 1 1 -4  5   21 o 244.882 4.8043  32543.83   1274.25  31888.91   1687.54  33412.57   1943.60  242.203 6.4329  247.797 7.2417  -5.593994      9.686272  
1 1 1 -4  5   22 o 178.728 3.6361  17323.21   703.883  17324.61   996.105  17321.81   994.777  178.610 5.1491  178.596 5.1426  0.1379395E-01  7.277317  
1 1 1 -4  5   23 o 67.480  2.5457  2467.98    186.062  2441.24    226.222  2523.90    327.114  67.100  3.1128  68.037  4.4637  -0.9377823     5.441866  
1 1 1 -4  5   24 o 46.720  3.8768  1193.02    194.401  846.465    277.870  1525.27    272.072  38.826  6.8586  52.755  4.8146  -13.92947      8.379761  
1 1 1 -4  5   25 o 36.427  1.5094  718.980    59.551   491.278    245.820  733.177    61.380   29.388  7.6488  36.785  1.5406  -7.396969      7.802422  
1 1 1 -4  5   26 o 51.307  2.0393  1427.48    113.327  1473.27    125.705  1228.72    261.891  52.117  2.2269  47.148  5.2159  4.969013       5.671389  
1 1 1 -4  5   27 o 60.084  3.6411  1973.91    235.833  1788.98    322.384  2186.79    345.892  56.879  5.2938  62.972  5.1156  -6.093475      7.361637  
1 1 1 -4  5   28 o 79.988  2.8004  3480.59    242.609  3418.02    302.352  3593.70    406.531  79.161  3.5264  80.825  4.6637  -1.663742      5.846828  
1 1 1 -4  5   29 o 49.417  4.2450  1349.58    225.000  1384.02    316.616  1314.43    319.804  49.558  6.0224  48.200  6.2746  1.358047       8.697143  
1 1 1 -4  5   30 o 114.271 3.0612  7131.48    378.878  7314.06    534.833  6947.56    536.801  115.261 4.2842  112.280 4.4141  2.981438       6.151293  
1 1 1 -4  5   31 o 73.122  3.4397  2935.18    272.422  2758.25    383.210  3115.96    387.349  70.163  5.0769  74.719  4.8119  -4.555275      6.994979  
1 1 1 -4  5   32 o 18.750  7.1189  158.388    199.358  184.535    279.083  131.144    284.874  21.110  8.3112  20.214  8.2441  0.8958511      11.70648  
1 1 1 -4  5   33 o 23.889  1.7934  312.555    46.065   307.972    46.622   500.932    298.923  23.707  1.8299  28.231  8.8136  -4.524031      9.001521  
1 1 1 -4  5   34 o 30.088  6.8576  568.748    218.504  737.070    310.142  402.858    307.893  33.180  8.5699  25.040  8.9596  8.139988       12.39834  
1 1 1 -4  5   35 o 16.038  7.6134  -253.2686  357.306  -253.2686  357.306  0.0000     0.0000   16.038  7.6134  ?       ?       0.000000       7.613428  
1 1 1 -4  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  6   3  o 232.886 4.2332  29382.47   1067.77  29192.36   1510.05  29572.60   1510.07  232.087 6.0072  233.595 5.9685  -1.507751      8.468108  
1 1 1 -4  6   4  o 370.786 6.3151  74525.23   2536.14  76217.95   3586.79  72832.81   3586.48  374.801 8.8356  366.367 9.0382  8.433685       12.63950  
1 1 1 -4  6   5  o 297.542 5.2058  47982.82   1677.67  48301.82   2372.87  47663.98   2372.30  298.411 7.3416  296.431 7.3888  1.979919       10.41601  
1 1 1 -4  6   6  o 197.010 3.7040  21029.38   790.361  21706.68   1117.92  20352.52   1117.56  200.113 5.1578  193.764 5.3251  6.348434       7.413480  
1 1 1 -4  6   7  o 249.458 4.5091  33723.87   1218.32  32795.40   2435.62  34033.71   1406.99  245.734 9.1511  250.574 5.1843  -4.839249      10.51759  
1 1 1 -4  6   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  6   9  o 490.335 8.1976  130372.00  4353.63  121421.90  8706.20  133356.30  5027.34  472.200 17.023  495.818 9.3615  -23.61774      19.42716  
1 1 1 -4  6   10 o 405.849 6.8673  89267.07   3018.71  90965.20   6036.72  88700.85   3485.84  409.248 13.619  404.509 7.9563  4.739075       15.77270  
1 1 1 -4  6   11 o 256.596 4.4629  35667.94   1240.33  29422.78   2475.47  37761.32   1433.21  232.911 9.8129  264.008 5.0121  -31.09648      11.01882  
1 1 1 -4  6   12 o 417.455 7.4644  94465.85   3375.01  91142.70   5221.87  96849.98   4422.98  409.755 11.766  422.553 9.6641  -12.79782      15.22616  
1 1 1 -4  6   13 o 386.805 9.3113  81161.79   3900.98  84371.90   5517.81  77953.98   5515.82  394.075 12.928  378.741 13.446  15.33432       18.65264  
1 1 1 -4  6   14 o 361.792 6.2151  70948.52   2435.42  70744.42   3444.25  71152.62   3444.17  361.109 8.8061  362.151 8.7806  -1.042114      12.43571  
1 1 1 -4  6   15 o 42.321  3.7177  977.836    168.686  1034.86    235.680  917.935    241.544  43.398  5.1121  40.768  5.6195  2.629265       7.596860  
1 1 1 -4  6   16 o 263.416 5.0516  37613.70   1441.26  38073.78   1904.96  36997.79   2204.08  264.928 6.6388  261.075 7.7946  3.853271       10.23860  
1 1 1 -4  6   17 o 275.425 5.7686  41148.84   1720.85  39705.72   2434.97  42588.82   2432.32  270.314 8.3168  279.989 8.0207  -9.675232      11.55421  
1 1 1 -4  6   18 o 469.786 7.9060  119965.30  4022.78  121941.20  5689.10  117989.40  5689.04  472.785 11.110  465.003 11.296  7.781403       15.84368  
1 1 1 -4  6   19 o 62.536  3.1183  2119.36    211.216  2318.21    298.552  1920.09    298.857  65.247  4.2478  59.314  4.6902  5.933636       6.327874  
1 1 1 -4  6   20 o 324.248 5.6626  57085.13   1988.66  55880.21   2812.14  58290.48   2812.65  320.372 8.1042  327.244 7.9355  -6.872131      11.34242  
1 1 1 -4  6   21 o 244.088 4.4983  32325.05   1189.23  32124.51   1681.65  32525.68   1682.00  243.102 6.3867  244.620 6.3484  -1.518661      9.005103  
1 1 1 -4  6   22 o 193.659 3.8342  20341.88   804.245  20213.40   1137.82  20470.16   1136.93  192.894 5.4461  194.120 5.4075  -1.225510      7.674665  
1 1 1 -4  6   23 o 100.501 3.0048  5476.09    327.075  5699.85    466.382  5259.54    458.818  102.478 4.2019  98.434  4.3035  4.043144       6.014642  
1 1 1 -4  6   24 o 150.045 3.4626  12215.94   562.722  12322.90   772.701  12095.16   821.121  150.573 4.7380  149.134 5.0835  1.438782       6.949121  
1 1 1 -4  6   25 o 96.678  2.8281  5070.80    296.140  5057.19    400.758  5087.18    439.534  96.475  3.8353  96.730  4.1953  -0.2542114     5.684166  
1 1 1 -4  6   26 o 119.414 3.0703  7745.96    397.112  7685.94    563.721  7805.09    559.504  118.764 4.3824  119.692 4.3159  -0.9281769     6.150767  
1 1 1 -4  6   27 o 87.311  3.1805  4147.44    300.769  3926.73    415.968  4389.25    435.400  84.633  4.5546  89.503  4.5058  -4.870377      6.406775  
1 1 1 -4  6   28 o 92.712  3.1970  4682.49    321.034  4718.52    452.241  4645.89    455.802  92.800  4.4994  92.065  4.5710  0.7341309      6.413924  
1 1 1 -4  6   29 o 46.844  4.4103  1215.72    221.130  1012.18    309.960  1426.68    315.566  41.946  7.0741  50.363  5.8966  -8.417038      9.209415  
1 1 1 -4  6   30 o 53.518  1.8351  1555.87    106.372  1240.95    150.137  1873.28    150.729  47.596  2.9266  58.664  2.3722  -11.06772      3.767245  
1 1 1 -4  6   31 o 30.680  7.1349  559.257    232.608  473.749    289.052  716.383    391.828  28.170  8.6459  33.967  9.9868  -5.796377      13.20936  
1 1 1 -4  6   32 f 66.942  3.6197  2478.86    261.473  2722.63    369.513  2234.38    370.045  69.552  4.9372  62.686  5.5060  6.866119       7.395438  
1 1 1 -4  6   33 o 8.4467  3.1163  31.214     37.628   25.879     37.944   347.369    292.085  8.1509  3.1031  24.506  8.7311  -16.35491      9.266108  
1 1 1 -4  6   34 o 25.449  2.2403  358.092    61.122   367.819    308.017  357.693    62.363   24.260  8.9214  25.423  2.2893  -1.163383      9.210450  
1 1 1 -4  6   35 o 31.920  10.393  791.870    412.164  791.870    412.164  0.0000     0.0000   31.920  10.393  ?       ?       0.000000       10.39317  
1 1 1 -4  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  7   3  o 385.360 9.2803  80571.80   3873.48  80571.80   3873.48  0.0000     0.0000   385.360 9.2803  ?       ?       0.000000       9.280332  
1 1 1 -4  7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  7   5  o 343.414 5.9363  63936.73   2208.04  63308.71   3122.63  64564.75   3122.65  341.533 8.4415  344.912 8.3588  -3.378754      11.87974  
1 1 1 -4  7   6  o 448.374 7.3930  109084.90  3590.32  111262.40  5077.62  106907.60  5077.33  452.405 10.362  443.428 10.572  8.976318       14.80338  
1 1 1 -4  7   7  o 479.786 8.0093  124929.60  4162.09  122202.10  5885.98  127657.30  5886.20  473.989 11.465  484.499 11.217  -10.50940      16.03959  
1 1 1 -4  7   8  o 453.969 8.1376  111796.30  4001.23  105246.00  11328.95 112729.80  4276.87  436.998 24.028  455.809 8.6631  -18.81116      25.54165  
1 1 1 -4  7   9  o 536.351 8.9365  156021.59  5191.41  156735.41  10382.28 155783.59  5994.63  536.381 17.871  535.808 10.330  0.5733643      20.64156  
1 1 1 -4  7   10 o 653.349 10.792  231588.80  7637.12  229800.80  15273.70 232184.91  8818.70  649.029 21.728  653.993 12.450  -4.963989      25.04159  
1 1 1 -4  7   11 o 357.179 6.0930  69130.38   2357.14  70185.42   4713.24  68778.49   2721.98  359.582 12.102  356.233 7.0547  3.349030       14.00799  
1 1 1 -4  7   12 o 610.064 10.105  201909.30  6677.23  193868.30  13353.75 204590.00  7710.34  596.120 20.682  613.929 11.595  -17.80865      23.71100  
1 1 1 -4  7   13 o 742.519 24.667  302110.31  19837.83 0.0000     0.0000   302110.31  19837.83 ?       ?       742.519 24.667  0.000000       24.66699  
1 1 1 -4  7   14 o 513.067 9.2855  142843.80  5160.01  143215.20  8006.25  142579.80  6748.58  513.010 14.409  512.225 12.164  0.7846069      18.85696  
1 1 1 -4  7   15 o 301.838 5.3203  49380.84   1739.33  47837.89   2459.61  50924.22   2459.96  296.949 7.6474  306.395 7.4127  -9.445679      10.65038  
1 1 1 -4  7   16 o 501.028 8.3847  136314.41  4550.07  138046.59  6434.89  134582.20  6434.66  503.533 11.799  497.140 11.950  6.392822       16.79354  
1 1 1 -4  7   17 o 255.759 4.6310  35462.13   1282.85  36149.27   1814.73  34775.77   1813.72  258.092 6.4918  253.131 6.6154  4.960800       9.268626  
1 1 1 -4  7   18 o 287.213 5.8451  44765.00   1818.30  45575.70   2211.36  43072.79   3194.89  289.668 7.0484  281.094 10.494  8.573669       12.64121  
1 1 1 -4  7   19 o 373.783 6.3829  75882.36   2584.08  76149.93   3654.62  75614.84   3654.27  373.900 9.0244  372.577 9.0555  1.323395       12.78444  
1 1 1 -4  7   20 o 214.150 4.0828  24869.44   946.999  24348.62   1338.85  25390.90   1339.67  211.746 5.8377  216.243 5.7199  -4.496506      8.172903  
1 1 1 -4  7   21 o 85.495  2.9887  3961.70    276.756  3828.47    390.384  4096.32    392.407  83.898  4.3106  86.902  4.1690  -3.003929      5.996859  
1 1 1 -4  7   22 o 309.909 6.1412  52221.35   2061.38  54546.80   2499.68  47278.43   3644.38  316.475 7.2925  293.423 11.467  23.05188       13.58963  
1 1 1 -4  7   23 o 38.156  4.5361  801.567    183.790  812.450    265.971  791.620    254.261  38.074  6.6940  37.608  6.4757  0.4656830      9.313653  
1 1 1 -4  7   24 o 128.447 3.2136  8949.91    447.085  8919.81    648.788  8977.13    616.960  128.110 4.6757  128.544 4.4313  -0.4342499     6.441993  
1 1 1 -4  7   25 o 74.777  3.0694  3034.65    248.598  3266.06    355.700  2813.68    347.582  77.383  4.2603  71.777  4.4936  5.606407       6.192177  
1 1 1 -4  7   26 o 174.986 3.6153  16653.25   685.198  16120.93   969.939  17183.55   968.097  171.773 5.2134  177.396 5.0385  -5.622437      7.250255  
1 1 1 -4  7   27 o 211.039 4.2920  24323.62   981.062  22461.24   1472.64  25809.71   1315.48  201.557 6.7457  216.749 5.6035  -15.19194      8.769471  
1 1 1 -4  7   28 o 160.440 3.5122  14040.26   610.320  13888.79   862.154  14192.42   864.096  158.988 5.0067  160.736 4.9634  -1.748444      7.049982  
1 1 1 -4  7   29 o 29.397  6.5258  500.684    202.362  710.060    282.897  281.288    289.587  34.817  7.7057  23.904  8.6716  10.91235       11.60060  
1 1 1 -4  7   30 o 68.522  2.7647  2560.57    205.188  2484.39    244.312  2742.96    378.017  67.386  3.3474  70.202  5.0043  -2.815788      6.020628  
1 1 1 -4  7   31 o 26.421  1.3549  379.828    38.641   263.110    280.306  382.089    39.014   22.992  8.5010  26.499  1.3640  -3.506367      8.609691  
1 1 1 -4  7   32 o 13.284  6.0709  -110.2710  195.118  -128.9549  276.163  -91.6478   275.714  15.959  7.2661  16.428  7.3910  -0.4689827     10.36450  
1 1 1 -4  7   33 o 23.879  2.5218  315.688    64.236   298.767    65.731   674.995    302.901  23.193  2.6650  32.643  8.4879  -9.449251      8.896494  
1 1 1 -4  7   34 o 30.145  3.0127  508.808    97.050   1293.57    324.345  431.638    101.710  45.838  6.7337  27.588  3.4815  18.25023       7.580482  
1 1 1 -4  7   35 o 33.555  10.419  875.296    418.396  875.296    418.396  0.0000     0.0000   33.555  10.419  ?       ?       0.000000       10.41919  
1 1 1 -4  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   4  f 364.225 7.1578  71938.48   2823.72  71074.25   3458.45  73666.60   4890.50  361.905 8.8230  368.096 12.267  -6.191956      15.11004  
1 1 1 -4  8   5  o 371.714 6.2951  74923.84   2534.45  73765.99   3584.27  76081.70   3584.25  368.584 8.9783  374.340 8.8402  -5.755707      12.59994  
1 1 1 -4  8   6  o 198.932 3.8139  21442.46   821.764  20305.96   1162.01  22579.51   1162.29  193.532 5.5435  204.090 5.2580  -10.55824      7.640526  
1 1 1 -4  8   7  o 287.289 5.0473  44733.68   1570.53  43646.91   2221.00  45820.57   2221.13  283.655 7.2291  290.644 7.0557  -6.988922      10.10167  
1 1 1 -4  8   8  o 342.404 5.8865  63545.74   2183.08  58920.32   4365.09  65088.55   2521.01  329.243 12.241  346.491 6.7176  -17.24844      13.96283  
1 1 1 -4  8   9  o 219.872 4.0544  26188.54   965.536  26101.66   1929.03  26217.58   1115.30  219.409 8.1173  219.984 4.6809  -0.5741882     9.370267  
1 1 1 -4  8   10 o 470.629 7.8978  120065.30  4025.85  125727.50  8051.52  118177.70  4648.68  480.940 15.457  466.835 9.1938  14.10565       17.98433  
1 1 1 -4  8   11 o 306.764 5.3824  50986.04   1788.35  53922.05   3575.74  50006.66   2065.20  315.270 10.472  303.779 6.2767  11.49164       12.20868  
1 1 1 -4  8   12 o 333.288 5.7778  60190.84   2085.69  61652.56   4171.07  59703.50   2408.41  337.026 11.427  331.902 6.6996  5.123474       13.24575  
1 1 1 -4  8   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   14 o 645.103 10.655  225977.09  7444.97  224542.50  10528.78 227411.80  10528.78 642.177 15.137  646.289 15.041  -4.112183      21.33962  
1 1 1 -4  8   15 o 324.307 5.6530  57013.57   1985.67  56405.50   2809.05  57620.87   2807.26  322.411 8.0441  325.874 7.9536  -3.462189      11.31228  
1 1 1 -4  8   16 o 514.815 9.9523  144086.80  5549.40  142397.20  6796.54  147466.00  9611.98  511.273 12.273  518.860 17.104  -7.587769      21.05174  
1 1 1 -4  8   17 o 291.192 5.1652  45981.52   1629.05  44792.28   2304.19  47170.01   2303.46  287.199 7.4074  294.744 7.2155  -7.544983      10.34084  
1 1 1 -4  8   18 o 227.078 4.5026  27959.03   1107.42  27818.27   1682.62  28066.59   1470.91  226.323 6.8642  227.409 5.9718  -1.086319      9.098311  
1 1 1 -4  8   19 f 267.761 4.8154  38891.63   1396.52  39240.43   1975.65  38543.31   1974.30  268.739 6.7875  266.334 6.8441  2.405151       9.639063  
1 1 1 -4  8   20 o 260.233 4.9744  36748.82   1402.08  37649.89   1854.38  35546.17   2142.35  263.216 6.5045  255.573 7.7393  7.642441       10.10972  
1 1 1 -4  8   21 o 177.831 3.6213  17146.70   697.490  17483.27   986.961  16810.91   985.840  179.463 5.0776  175.971 5.1724  3.492554       7.248153  
1 1 1 -4  8   22 o 142.140 3.2719  10953.96   503.710  11294.23   711.937  10612.89   712.771  144.253 4.5566  139.824 4.7065  4.429214       6.550886  
1 1 1 -4  8   23 o 172.077 3.6921  16063.56   688.117  15871.92   930.541  16294.82   1022.19  170.921 5.0265  173.134 5.4510  -2.213135      7.414847  
1 1 1 -4  8   24 o 60.658  3.3734  2002.50    220.755  1869.53    317.080  2127.58    307.529  58.415  5.0616  62.405  4.5819  -3.989464      6.827411  
1 1 1 -4  8   25 f 74.049  3.0637  2975.88    245.718  3410.07    351.784  2562.22    343.364  79.092  4.1208  68.457  4.6586  10.63506       6.219639  
1 1 1 -4  8   26 o 36.087  4.4641  720.488    170.763  1133.44    247.936  347.824    235.531  45.267  5.1486  25.139  7.8194  20.12792       9.362185  
1 1 1 -4  8   27 o 36.648  2.3861  732.322    94.197   694.035    98.855   1110.10    310.524  35.652  2.5774  44.359  6.6695  -8.707005      7.150219  
1 1 1 -4  8   28 o 74.921  3.3783  3060.14    274.142  3077.50    385.425  3042.36    390.006  74.737  4.7865  74.285  4.8744  0.4529037      6.831554  
1 1 1 -4  8   29 o 74.039  2.7987  2986.12    224.435  2614.62    274.781  3730.66    389.002  69.036  3.6882  82.296  4.3800  -13.25964      5.725981  
1 1 1 -4  8   30 o 54.549  2.5872  1621.42    152.859  1496.21    170.850  2123.79    342.214  52.255  3.0317  61.665  5.1715  -9.410103      5.994608  
1 1 1 -4  8   31 o 30.685  1.6427  512.963    54.398   329.114    291.816  519.581    55.368   24.652  8.7330  30.881  1.6615  -6.228214      8.889680  
1 1 1 -4  8   32 o 17.559  6.9865  109.798    199.146  -16.5026   281.613  236.137    281.656  17.670  7.7321  22.219  8.4556  -4.548231      11.45784  
1 1 1 -4  8   33 o 55.184  4.1182  1708.47    244.371  1488.90    345.176  1929.11    346.010  50.224  6.4978  57.838  5.5932  -7.614765      8.573502  
1 1 1 -4  8   34 o 24.218  1.7117  321.732    44.610   319.133    45.102   439.061    303.040  24.115  1.7384  25.791  8.9162  -1.675695      9.084080  
1 1 1 -4  8   35 o 18.016  8.2636  -63.1399   365.968  -63.1399   365.968  0.0000     0.0000   18.016  8.2636  ?       ?       0.000000       8.263561  
1 1 1 -4  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   1  o 500.498 16.792  136439.41  9102.64  136439.41  9102.64  0.0000     0.0000   500.498 16.792  ?       ?       0.000000       16.79170  
1 1 1 -4  9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   5  o 373.222 6.3678  75537.34   2574.09  74460.00   3640.29  76614.72   3640.34  370.293 9.0765  375.627 8.9478  -5.334076      12.74544  
1 1 1 -4  9   6  o 361.902 6.1971  71025.29   2429.13  71613.23   3435.52  70437.48   3435.10  363.154 8.7344  360.153 8.8061  3.001434       12.40307  
1 1 1 -4  9   7  o 611.084 14.189  203495.09  9390.94  203495.09  9390.94  0.0000     0.0000   611.084 14.189  ?       ?       0.000000       14.18853  
1 1 1 -4  9   8  o 245.604 4.4448  32682.19   1182.39  32505.93   1672.14  32858.44   1672.15  244.883 6.3044  246.209 6.2705  -1.325470      8.891825  
1 1 1 -4  9   9  o 431.346 10.258  100946.50  4792.57  0.0000     0.0000   100946.50  4792.57  ?       ?       431.346 10.258  0.000000       10.25825  
1 1 1 -4  9   10 o 289.394 5.0797  45372.43   1592.19  44940.37   3183.29  45516.58   1838.71  287.838 10.211  289.834 5.8573  -1.995972      11.77144  
1 1 1 -4  9   11 o 445.494 7.4301  107574.50  3585.14  110835.90  7169.50  106487.00  4139.92  451.619 14.657  443.168 8.6249  8.450226       17.00641  
1 1 1 -4  9   12 o 452.241 7.6212  110871.50  3733.05  111922.10  7465.33  110521.20  4310.71  453.694 15.192  451.448 8.8160  2.246277       17.56470  
1 1 1 -4  9   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   14 o 261.014 4.6171  36913.91   1305.29  36908.23   2608.22  36915.80   1507.67  260.793 9.2337  260.998 5.3333  -0.2051086     10.66333  
1 1 1 -4  9   15 o 503.398 9.7257  137639.09  5302.78  137749.00  9185.56  137584.09  6494.24  502.114 16.890  502.927 11.922  -0.8123474     20.67398  
1 1 1 -4  9   16 o 236.571 4.3703  30331.50   1119.81  30180.66   1584.59  30481.99   1582.72  235.891 6.2020  237.068 6.1640  -1.176880      8.744145  
1 1 1 -4  9   17 o 402.301 7.3763  87891.10   3214.12  87476.05   4213.38  88468.80   4970.86  400.945 9.7023  402.850 11.392  -1.904602      14.96408  
1 1 1 -4  9   18 o 190.698 3.9657  19712.75   819.093  19746.77   1098.70  19670.19   1228.96  190.790 5.3169  190.377 5.9601  0.4122620      7.986955  
1 1 1 -4  9   19 o 515.005 9.3466  144541.50  5213.55  141882.80  8088.92  146430.80  6818.85  507.905 14.704  517.234 12.172  -9.328583      19.08827  
1 1 1 -4  9   20 o 158.385 3.3640  13597.98   577.081  13601.80   817.546  13594.18   814.694  158.333 4.7673  158.290 4.7519  0.4341125E-01  6.731099  
1 1 1 -4  9   21 o 243.064 4.7626  32062.30   1253.83  31889.40   1663.01  32290.05   1908.62  242.212 6.3391  243.592 7.2341  -1.380234      9.618567  
1 1 1 -4  9   22 o 102.317 2.8822  5674.53    319.408  5705.53    435.645  5638.49    469.697  102.558 3.9219  101.938 4.2541  0.6192703      5.786082  
1 1 1 -4  9   23 o 164.459 3.4961  14670.26   622.746  14868.07   880.011  14471.84   881.381  165.438 4.9112  163.211 4.9859  2.227097       6.998485  
1 1 1 -4  9   24 o 130.288 3.1220  9207.78    440.560  9573.51    630.517  8858.88    615.835  132.745 4.3854  127.688 4.4529  5.056923       6.249807  
1 1 1 -4  9   25 o 75.825  3.0519  3120.43    250.642  2998.91    357.789  3237.54    351.225  74.108  4.4786  77.044  4.2251  -2.936157      6.157028  
1 1 1 -4  9   26 o 53.835  2.1614  1572.01    126.029  1672.59    142.533  1211.58    269.820  55.522  2.3702  46.764  5.4280  8.757698       5.922933  
1 1 1 -4  9   27 o 71.996  3.3244  2821.64    259.239  3067.89    355.835  2543.10    378.447  74.800  4.4117  67.911  5.1843  6.888649       6.807343  
1 1 1 -4  9   28 o 43.547  4.6536  1051.41    216.092  1169.90    302.419  927.804    308.884  45.550  6.2984  40.176  7.3699  5.373730       9.694609  
1 1 1 -4  9   29 f 74.938  3.3579  3067.17    272.545  3378.75    383.386  2748.84    387.519  78.253  4.5430  70.376  5.1190  7.877296       6.844183  
1 1 1 -4  9   30 o 83.144  2.8125  3771.25    253.274  3655.73    317.714  3972.64    419.505  81.672  3.5916  84.704  4.5897  -3.032364      5.827970  
1 1 1 -4  9   31 o 39.861  1.4548  862.612    62.811   547.830    296.805  877.370    64.267   30.070  8.6494  40.199  1.4760  -10.12923      8.774470  
1 1 1 -4  9   32 o 19.605  1.3524  209.686    28.542   -141.4592  279.887  213.376    28.691   15.919  7.2738  19.778  1.3474  -3.858871      7.397532  
1 1 1 -4  9   33 o 18.807  7.1936  163.797    204.504  324.029    287.962  0.7517     290.479  23.903  8.6508  17.952  7.8541  5.950785       11.68437  
1 1 1 -4  9   34 o 39.620  1.5492  855.738    66.479   851.322    67.946   954.745    321.747  39.512  1.5877  38.268  8.0192  1.243359       8.174850  
1 1 1 -4  9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  10  2  o 133.371 2.9356  9634.94    424.062  10164.50   599.505  9104.65    599.923  136.975 4.0409  129.635 4.2727  7.340515       5.880903  
1 1 1 -4  10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  10  4  o 308.762 5.4197  51672.77   1812.45  51803.82   2563.12  51541.70   2563.27  309.022 7.6579  308.237 7.6778  0.7841797      10.84403  
1 1 1 -4  10  5  o 369.280 6.3305  73951.03   2532.01  72713.33   3580.79  75188.76   3580.83  365.919 9.0349  372.112 8.8846  -6.193542      12.67148  
1 1 1 -4  10  6  o 404.249 6.8523  88643.52   3000.25  89360.47   4243.23  87926.72   4242.77  405.554 9.6600  402.277 9.7376  3.277161       13.71633  
1 1 1 -4  10  7  o 448.722 7.5113  109226.10  3650.61  109089.80  5162.82  109362.40  5162.66  448.062 10.638  448.624 10.625  -0.5614014     15.03539  
1 1 1 -4  10  8  o 716.072 23.827  281193.41  18480.06 0.0000     0.0000   281193.41  18480.06 ?       ?       716.072 23.827  0.000000       23.82739  
1 1 1 -4  10  9  o 207.894 3.9376  23411.96   886.629  23834.48   1771.96  23270.85   1024.04  209.681 7.8023  207.257 4.5618  2.423843       9.038068  
1 1 1 -4  10  10 o 461.710 7.7403  115552.20  3870.78  122267.70  7741.63  113313.80  4469.57  474.327 15.069  457.140 9.0271  17.18750       17.56595  
1 1 1 -4  10  11 o 701.929 12.679  267519.19  9639.39  288362.19  27815.62 264674.41  10276.17 722.361 35.552  698.052 13.592  24.30884       38.06152  
1 1 1 -4  10  12 o 801.236 13.101  348717.09  11369.00 316238.00  22737.07 359544.59  13127.96 759.064 27.656  813.219 14.905  -54.15509      31.41638  
1 1 1 -4  10  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  10  14 o 252.635 4.8544  34584.36   1328.31  31370.12   2483.36  35872.51   1572.11  240.410 9.5371  257.271 5.6418  -16.86081      11.08091  
1 1 1 -4  10  15 o 1013.54 18.286  562208.19  20073.75 621544.62  58334.14 554238.00  21379.46 1026.18 52.662  1005.53 19.631  20.64960       56.20174  
1 1 1 -4  10  16 o 553.059 13.545  166878.41  8113.82  164182.59  17006.83 167672.80  9232.28  540.672 29.149  553.779 15.392  -13.10632      32.96358  
1 1 1 -4  10  17 o 476.725 8.5067  123537.00  4392.38  126940.60  6809.56  121111.90  5748.02  482.036 13.043  471.363 11.259  10.67307       17.23003  
1 1 1 -4  10  18 f 195.116 3.8089  20635.39   804.946  21258.92   1139.65  20014.65   1137.09  197.958 5.3153  192.068 5.4660  5.890091       7.624254  
1 1 1 -4  10  19 o 80.435  2.9104  3505.84    253.552  3672.38    362.458  3346.25    354.817  82.299  4.0663  78.445  4.1912  3.853714       5.839605  
1 1 1 -4  10  20 o 292.040 6.0572  46327.50   1915.95  45886.07   2709.88  46768.73   2709.24  290.195 8.6216  292.990 8.5374  -2.795166      12.13340  
1 1 1 -4  10  21 o 179.790 3.6394  17526.84   708.702  17958.37   1003.48  17097.41   1001.04  181.882 5.0939  177.459 5.2081  4.423172       7.285073  
1 1 1 -4  10  22 o 104.499 3.0014  5919.59    339.707  6349.78    484.103  5502.25    476.816  108.182 4.1315  100.693 4.3720  7.489388       6.015322  
1 1 1 -4  10  23 o 51.841  3.7183  1465.52    207.393  1240.14    294.299  1687.86    292.309  47.393  5.8580  55.526  4.9111  -8.132523      7.644304  
1 1 1 -4  10  24 o 167.363 4.0841  15212.00   740.336  15070.87   906.418  15494.83   1283.16  166.464 5.0273  168.446 7.0332  -1.981857      8.645193  
1 1 1 -4  10  25 o 117.265 3.0627  7463.52    388.992  7698.79    549.195  7226.67    551.045  118.975 4.2619  115.251 4.4144  3.723717       6.136013  
1 1 1 -4  10  26 o 81.875  2.9697  3641.21    263.354  3950.25    375.722  3342.74    369.239  85.167  4.0731  78.191  4.3775  6.976021       5.979396  
1 1 1 -4  10  27 o 63.659  3.5176  2214.08    241.598  2439.62    329.938  1953.34    354.751  66.632  4.5999  59.372  5.5821  7.260201       7.233168  
1 1 1 -4  10  28 o 19.509  7.0666  178.865    192.208  310.654    267.092  37.306     276.815  24.361  8.3736  18.866  7.9461  5.495188       11.54369  
1 1 1 -4  10  29 o 48.420  4.3090  1297.29    223.620  1332.03    314.084  1261.57    318.454  48.563  6.1063  47.147  6.4018  1.416023       8.846988  
1 1 1 -4  10  30 o 57.975  2.5390  1831.25    159.430  1737.77    179.830  2174.56    344.626  56.340  2.9573  62.401  5.1449  -6.060558      5.934260  
1 1 1 -4  10  31 f 82.413  3.3296  3726.21    297.204  3669.69    420.617  3782.57    420.005  81.089  4.8106  82.372  4.7274  -1.283142      6.744656  
1 1 1 -4  10  32 o 45.143  2.1974  1111.27    107.438  1315.25    319.089  1085.19    114.100  47.575  6.3510  44.522  2.3747  3.053146       6.780445  
1 1 1 -4  10  33 o 57.147  4.8359  1856.46    296.517  2107.37    548.605  1752.91    352.431  57.752  9.0694  54.811  6.0367  2.940636       10.89472  
1 1 1 -4  10  34 o 30.960  1.7591  525.201    58.743   527.469    59.838   464.942    308.464  31.021  1.7886  26.326  9.0003  4.694750       9.176272  
1 1 1 -4  10  35 o 30.608  12.919  874.419    734.121  0.0000     0.0000   874.419    734.121  ?       ?       30.608  12.919  0.000000       12.91851  
1 1 1 -4  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  11  1  o 316.249 5.9139  54205.25   2025.67  57432.38   3510.05  52593.74   2480.41  325.289 9.9626  311.445 7.3531  13.84488       12.38233  
1 1 1 -4  11  2  o 546.568 18.292  163076.59  10828.56 0.0000     0.0000   163076.59  10828.56 ?       ?       546.568 18.292  0.000000       18.29179  
1 1 1 -4  11  3  o 374.452 7.4041  76043.88   3002.88  76703.52   3677.46  74723.95   5202.00  375.939 9.0315  370.633 12.959  5.306610       15.79531  
1 1 1 -4  11  4  o 542.394 18.201  160976.59  10692.63 0.0000     0.0000   160976.59  10692.63 ?       ?       542.394 18.201  0.000000       18.20116  
1 1 1 -4  11  5  o 83.049  2.4634  3735.98    221.588  3977.83    313.834  3495.55    312.914  85.687  3.3815  80.323  3.5968  5.364304       4.936757  
1 1 1 -4  11  6  o 131.024 2.8943  9299.65    410.738  9807.06    581.986  8796.11    579.764  134.534 3.9940  127.407 4.2013  7.126389       5.796846  
1 1 1 -4  11  7  o 420.845 6.9429  96046.63   3164.70  98133.88   4475.97  93960.13   4475.15  425.113 9.7210  415.949 9.9334  9.163269       13.89858  
1 1 1 -4  11  8  o 440.831 7.4410  105363.70  3552.81  104449.00  5024.55  106278.40  5024.31  438.653 10.576  442.487 10.483  -3.833862      14.89117  
1 1 1 -4  11  9  o 246.255 4.4579  32851.26   1189.01  33465.84   2377.62  32646.31   1373.02  248.429 8.8363  245.472 5.1642  2.957001       10.23473  
1 1 1 -4  11  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  11  11 o 159.419 3.2988  13765.66   569.600  13682.62   1137.20  13793.47   658.104  158.895 6.6078  159.575 3.8077  -0.6801910     7.626342  
1 1 1 -4  11  12 o 907.100 17.191  447952.00  16889.62 412990.81  29253.47 465432.91  20685.56 865.799 31.195  923.549 20.679  -57.75061      37.42709  
1 1 1 -4  11  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  11  14 f 218.280 4.3125  25814.92   1019.57  23749.56   1912.10  26635.45   1205.20  209.228 8.4376  221.703 5.0190  -12.47562      9.817535  
1 1 1 -4  11  15 o 345.837 6.6517  64864.01   2491.57  63211.38   6295.99  65170.88   2713.06  339.612 17.172  346.610 7.2268  -6.998199      18.63087  
1 1 1 -4  11  16 o 512.553 9.1573  142764.50  5083.65  137488.91  14480.23 143506.09  5429.23  495.743 27.070  513.763 9.7568  -18.02008      28.77501  
1 1 1 -4  11  17 o 196.260 3.8153  20875.32   811.025  23668.41   1621.73  19943.80   936.552  208.775 7.1718  191.802 4.5083  16.97365       8.471094  
1 1 1 -4  11  18 o 339.767 6.7954  62696.46   2500.74  61700.46   4332.59  63194.05   3062.34  336.069 11.903  340.875 8.2945  -4.806427      14.50777  
1 1 1 -4  11  19 o 155.682 3.3573  13136.44   566.107  13898.83   799.228  12368.80   801.971  160.078 4.6097  150.995 4.9037  9.083176       6.730187  
1 1 1 -4  11  20 o 191.407 3.7849  19864.30   784.654  19872.96   1110.65  19855.67   1108.69  191.334 5.3594  191.252 5.3522  0.8261108E-01  7.574244  
1 1 1 -4  11  21 o 211.501 4.0218  24261.79   921.299  25228.71   1304.09  23298.34   1301.74  215.523 5.5865  207.090 5.8036  8.433273       8.055481  
1 1 1 -4  11  22 f 359.956 6.2137  70465.34   2422.52  70501.02   3426.34  70429.69   3425.59  359.283 8.8049  359.100 8.8074  0.1827087      12.45377  
1 1 1 -4  11  23 o 107.237 2.9509  6234.87    342.739  6033.23    473.504  6456.78    496.744  105.430 4.1466  109.065 4.2051  -3.634552      5.905657  
1 1 1 -4  11  24 o 199.822 4.2453  21690.53   918.800  22554.95   1297.87  20822.09   1300.89  203.475 5.8891  195.451 6.1452  8.023941       8.511461  
1 1 1 -4  11  25 o 110.803 2.9760  6663.07    357.155  6591.90    513.780  6729.61    496.832  110.080 4.3092  111.245 4.1234  -1.164909      5.964207  
1 1 1 -4  11  26 o 26.636  5.7018  403.101    159.531  611.346    230.629  212.046    220.905  32.765  6.7242  21.182  7.5881  11.58303       10.13875  
1 1 1 -4  11  27 o 89.138  3.1585  4323.46    304.944  4238.49    421.973  4416.35    441.180  87.945  4.4444  89.750  4.5534  -1.804916      6.362865  
1 1 1 -4  11  28 o 61.077  3.7015  2044.02    243.704  2000.02    342.436  2089.17    346.907  60.041  5.3209  61.389  5.2685  -1.347477      7.487889  
1 1 1 -4  11  29 o 47.151  2.1864  1208.40    111.659  1193.48    119.459  1311.59    314.160  46.786  2.3651  48.162  6.1639  -1.376141      6.602096  
1 1 1 -4  11  30 o 26.834  1.9091  393.238    55.123   388.155    56.138   529.907    291.097  26.653  1.9584  29.841  8.5607  -3.188198      8.781868  
1 1 1 -4  11  31 o 43.247  5.8293  1069.99    266.095  1467.37    501.699  914.450    313.882  48.674  9.8546  39.186  7.6701  9.487774       12.48768  
1 1 1 -4  11  32 o 32.128  7.4957  625.354    256.063  807.710    485.517  555.085    301.386  35.134  11.266  29.958  8.7446  5.176497       14.26131  
1 1 1 -4  11  33 o 16.723  2.5450  156.639    44.641   818.688    480.173  150.867    44.835   34.472  11.218  16.391  2.6133  18.08144       11.51797  
1 1 1 -4  11  34 o 56.719  4.5647  1854.31    278.047  1407.05    552.553  2005.95    321.750  42.507  11.654  58.554  5.1249  -16.04685      12.73086  
1 1 1 -4  11  35 o 31.206  13.010  932.303    730.514  0.0000     0.0000   932.303    730.514  ?       ?       31.206  13.010  0.000000       13.00976  
1 1 1 -4  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  12  4  f 27.415  2.3576  410.099    69.322   399.949    97.381   420.526    98.704   26.956  3.4118  27.657  3.3643  -0.7009315     4.791558  
1 1 1 -4  12  5  o 240.434 4.3803  31327.75   1140.69  31542.61   1613.26  31112.95   1613.09  241.176 6.1759  239.525 6.2178  1.650467       8.763713  
1 1 1 -4  12  6  o 287.063 5.0422  44664.40   1567.71  44948.58   2217.24  44380.30   2216.92  287.854 7.1116  286.026 7.1561  1.828461       10.08884  
1 1 1 -4  12  7  o 200.626 4.1307  21807.92   897.601  21255.66   1358.93  22235.34   1195.51  198.009 6.3364  202.549 5.4495  -4.539886      8.357429  
1 1 1 -4  12  8  o 243.052 4.7111  32005.84   1240.20  32642.41   1642.05  31160.50   1892.25  245.418 6.1775  239.747 7.2871  5.671051       9.553157  
1 1 1 -4  12  9  o 431.461 7.8085  100913.40  3649.03  103088.70  5651.31  99357.97   4778.75  435.799 11.973  427.968 10.309  7.831421       15.79966  
1 1 1 -4  12  10 o 254.235 4.5995  35014.90   1266.52  33486.03   2532.01  35525.08   1462.65  248.494 9.4076  256.068 5.2737  -7.573380      10.78495  
1 1 1 -4  12  11 o 966.152 32.070  514054.19  33559.56 514054.19  33559.56 0.0000     0.0000   966.152 32.070  ?       ?       0.000000       32.07014  
1 1 1 -4  12  12 o 432.065 8.3932  101225.60  3927.80  107905.30  6804.69  97888.08   4810.01  445.578 14.100  424.734 10.456  20.84427       17.55363  
1 1 1 -4  12  13 o 405.651 9.7543  89288.95   4285.69  88328.63   6061.31  90249.01   6060.43  403.059 13.884  407.434 13.733  -4.375397      19.52900  
1 1 1 -4  12  14 o 322.015 6.0999  56209.26   2127.48  58279.80   5835.31  55891.85   2284.75  326.486 16.556  321.079 6.5698  5.406219       17.81182  
1 1 1 -4  12  15 o 672.153 12.082  245844.80  8795.47  257430.41  25339.69 244257.80  9378.56  675.356 34.759  669.747 12.929  5.608582       37.08604  
1 1 1 -4  12  16 o 191.737 4.0241  19922.72   835.681  21071.85   2062.80  19697.09   914.048  196.868 9.6741  190.635 4.4269  6.233612       10.63888  
1 1 1 -4  12  17 o 216.268 4.5142  25356.91   1057.41  23937.92   2504.53  25664.71   1166.47  209.272 11.089  217.553 4.9504  -8.280853      12.14393  
1 1 1 -4  12  18 o 58.228  2.3264  1836.74    146.720  1844.13    187.616  1825.11    235.411  58.262  2.9831  57.904  3.7742  0.3578072      4.810793  
1 1 1 -4  12  19 o 359.339 6.7356  70161.05   2621.48  73134.79   7275.30  69717.35   2810.26  362.463 18.594  358.107 7.2454  4.355774       19.95612  
1 1 1 -4  12  20 o 277.768 6.2999  41922.10   1895.35  41452.93   4294.09  42035.62   2112.24  273.897 14.527  278.034 7.0142  -4.137085      16.13151  
1 1 1 -4  12  21 o 175.359 4.8532  16689.91   921.781  17406.79   1750.31  16414.78   1084.33  178.366 9.0903  173.829 5.7593  4.536667       10.76118  
1 1 1 -4  12  22 o 132.057 3.6523  9458.09    522.391  10180.46   912.818  9106.29    637.019  136.821 6.1597  129.525 4.5407  7.295502       7.652487  
1 1 1 -4  12  23 f 87.936  2.9894  4192.64    284.719  4236.08    396.630  4146.45    408.961  88.342  4.1452  87.394  4.3205  0.9482574      5.987451  
1 1 1 -4  12  24 o 233.053 4.5932  29521.97   1159.41  29015.30   1763.12  29907.99   1538.95  230.468 7.0632  234.252 6.0656  -3.784134      9.310203  
1 1 1 -4  12  25 o 135.349 3.2037  9945.99    469.652  10204.34   684.501  9716.19    645.581  136.909 4.6161  133.617 4.4609  3.291672       6.419298  
1 1 1 -4  12  26 o 87.135  2.8781  4123.78    271.628  3944.91    379.148  4312.39    389.333  85.096  4.1137  88.980  4.0398  -3.884659      5.765609  
1 1 1 -4  12  27 o 24.407  7.9054  324.206    238.619  388.927    439.271  297.113    284.208  28.778  10.642  24.405  8.6213  4.373171       13.69559  
1 1 1 -4  12  28 o 100.206 3.7349  5483.70    405.365  5689.95    721.772  5388.67    489.931  100.967 6.6370  99.130  4.5631  1.836983       8.054317  
1 1 1 -4  12  29 o 47.092  2.5882  1210.76    131.506  1145.38    144.055  1537.73    322.153  45.748  2.9226  52.326  5.7808  -6.577877      6.477615  
1 1 1 -4  12  30 f 52.474  2.6756  1505.14    151.561  1427.81    169.998  1804.80    334.631  51.024  3.0907  56.667  5.5223  -5.642620      6.328363  
1 1 1 -4  12  31 o 20.902  7.6482  216.536    225.970  255.147    465.279  204.617    258.504  25.957  10.555  21.267  8.0989  4.689493       13.30441  
1 1 1 -4  12  32 o ?       ?       -142.4887  25.289   225.029    458.435  -143.6105  25.328   25.059  10.365  ?       ?       0.000000       10.36467  
1 1 1 -4  12  33 o 47.434  5.2347  1294.72    264.459  1378.95    519.672  1265.28    307.215  45.021  10.797  46.303  6.2885  -1.281960      12.49437  
1 1 1 -4  12  34 o 4.2705  2.1164  -85.9305   36.859   0.0000     0.0000   -85.9305   36.859   ?       ?       4.2705  2.1164  0.000000       2.116369  
1 1 1 -4  12  35 o 27.352  12.128  542.070    714.573  0.0000     0.0000   542.070    714.573  ?       ?       27.352  12.128  0.000000       12.12810  
1 1 1 -4  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  13  1  f 464.043 15.654  117360.50  7867.81  0.0000     0.0000   117360.50  7867.81  ?       ?       464.043 15.654  0.000000       15.65400  
1 1 1 -4  13  2  o 507.699 17.059  140710.09  9380.38  0.0000     0.0000   140710.09  9380.38  ?       ?       507.699 17.059  0.000000       17.05860  
1 1 1 -4  13  3  o 321.388 5.5878  55991.16   1945.09  56660.14   2750.76  55322.16   2750.80  323.150 7.8592  319.304 7.9540  3.845642       11.18181  
1 1 1 -4  13  4  o 543.675 18.255  161881.20  10749.56 161881.20  10749.56 0.0000     0.0000   543.675 18.255  ?       ?       0.000000       18.25496  
1 1 1 -4  13  5  o 215.578 4.0572  25182.58   947.326  24736.92   1339.61  25628.38   1339.83  213.599 5.7904  217.418 5.6896  -3.819138      8.117940  
1 1 1 -4  13  6  o 215.556 4.0121  25175.57   936.713  26141.54   1324.78  24209.79   1324.65  219.601 5.5698  211.323 5.7874  8.277695       8.032214  
1 1 1 -4  13  7  o 174.651 4.3058  16526.63   814.503  16787.16   1038.26  16109.70   1313.42  175.998 5.4466  172.368 7.0352  3.630203       8.897146  
1 1 1 -4  13  8  o 771.314 25.605  326146.31  21390.84 0.0000     0.0000   326146.31  21390.84 ?       ?       771.314 25.605  0.000000       25.60509  
1 1 1 -4  13  9  o 740.326 13.271  297632.81  10641.21 300268.59  13891.21 293889.31  16554.61 742.892 17.264  734.185 20.818  8.706543       27.04528  
1 1 1 -4  13  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  13  11 o 652.856 10.728  231261.59  7586.22  240541.09  15172.35 228168.30  8759.83  664.015 21.096  648.258 12.476  15.75696       24.50924  
1 1 1 -4  13  12 o 271.577 5.5763  39964.42   1640.24  38439.49   2841.08  40726.80   2008.84  266.185 9.8544  274.119 6.7661  -7.933502      11.95360  
1 1 1 -4  13  13 o 569.747 13.414  176459.50  8277.95  172988.59  11707.01 179930.00  11706.57 563.005 19.198  574.276 18.821  -11.27063      26.88494  
1 1 1 -4  13  14 o 625.242 10.360  212309.59  7016.10  204945.00  14031.25 214764.91  8101.67  611.549 21.183  628.562 11.900  -17.01288      24.29714  
1 1 1 -4  13  15 o 461.151 8.8809  115473.00  4435.79  97371.93   11452.86 118667.50  4811.32  418.792 25.369  467.397 9.5040  -48.60437      27.09056  
1 1 1 -4  13  16 o 79.541  2.6366  3427.28    227.149  3336.01    353.270  3491.61    296.587  78.345  4.1782  80.276  3.4111  -1.930214      5.393842  
1 1 1 -4  13  17 o 600.197 9.9861  196137.30  6491.71  196693.50  12982.50 195951.80  7496.16  596.194 20.105  599.373 11.547  -3.178833      23.18488  
1 1 1 -4  13  18 o 243.998 4.4835  32282.19   1184.87  31387.54   2363.71  32582.44   1369.34  240.120 9.0885  245.080 5.1586  -4.959259      10.45051  
1 1 1 -4  13  19 o 276.340 5.4507  41446.09   1631.43  40157.62   2812.20  42099.67   2002.91  271.391 9.5671  278.362 6.6433  -6.970917      11.64741  
1 1 1 -4  13  20 o 320.283 5.8957  55715.33   2045.22  54791.54   3802.86  56091.27   2425.93  316.447 11.095  321.175 6.9738  -4.727692      13.10491  
1 1 1 -4  13  21 o 203.090 3.8929  22368.64   856.315  21490.67   1708.77  22663.06   989.533  198.617 7.9433  204.376 4.4702  -5.759430      9.114728  
1 1 1 -4  13  22 o 165.073 3.5031  14777.05   626.318  14842.68   1247.98  14754.95   724.112  165.103 6.9788  164.911 4.0540  0.1920776      8.070881  
1 1 1 -4  13  23 o 263.197 5.1106  37647.52   1456.88  38231.04   2720.68  37412.93   1725.05  264.085 9.5118  262.185 6.0747  1.899567       11.28611  
1 1 1 -4  13  24 o 116.622 3.1669  7378.60    400.019  7007.21    792.172  7505.72    463.446  113.145 6.4913  117.589 3.6388  -4.443497      7.441682  
1 1 1 -4  13  25 o 166.548 4.0354  15083.39   727.949  16019.22   1266.69  14621.92   889.506  170.983 6.8399  163.798 5.0138  7.184525       8.480719  
1 1 1 -4  13  26 o 87.844  2.9729  4192.23    282.853  4719.91    569.351  4019.32    325.917  92.649  5.7014  85.961  3.5005  6.687263       6.690308  
1 1 1 -4  13  27 o 37.851  5.6337  804.213    223.918  839.353    471.015  793.953    254.518  37.791  10.904  37.393  6.5214  0.3980255      12.70495  
1 1 1 -4  13  28 o 42.092  2.5080  966.580    113.821  893.461    124.487  1339.23    281.035  40.417  2.8623  49.018  5.3819  -8.601276      6.095718  
1 1 1 -4  13  29 o 33.717  2.3936  621.466    86.846   574.500    91.730   1027.66    269.766  32.378  2.6387  42.586  6.0160  -10.20880      6.569252  
1 1 1 -4  13  30 f 71.369  2.8041  2779.31    216.758  2819.82    285.837  2724.49    332.514  71.598  3.6986  70.149  4.3987  1.448914       5.746988  
1 1 1 -4  13  31 o 43.470  5.3545  1072.63    246.773  1047.79    501.490  1080.57    283.468  40.346  11.119  43.295  6.2239  -2.948700      12.74253  
1 1 1 -4  13  32 o 35.199  6.5367  731.289    240.031  957.120    488.824  659.536    275.537  38.049  11.145  32.866  7.8486  5.183483       13.63158  
1 1 1 -4  13  33 o 20.077  7.7292  191.444    237.066  265.184    471.549  166.503    274.243  25.146  10.465  20.300  8.1571  4.846556       13.26880  
1 1 1 -4  13  34 o 58.011  5.2383  1979.48    325.586  0.0000     0.0000   1979.48    325.586  ?       ?       58.011  5.2383  0.000000       5.238325  
1 1 1 -4  13  35 o 27.661  12.190  581.812    711.201  0.0000     0.0000   581.812    711.201  ?       ?       27.661  12.190  0.000000       12.19024  
1 1 1 -4  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  14  1  o 337.530 8.2387  61815.63   3011.91  61665.17   4257.07  61966.43   4261.91  336.794 11.670  337.618 11.655  -0.8233643     16.49331  
1 1 1 -4  14  2  o 276.099 4.9744  41313.55   1487.55  42025.17   2103.66  40601.86   2103.77  278.366 6.9773  273.605 7.0991  4.761536       9.953923  
1 1 1 -4  14  3  o 377.647 7.3785  77372.73   3018.03  77801.45   5228.28  77158.47   3696.00  378.018 12.770  376.953 9.0526  1.065063       15.65284  
1 1 1 -4  14  4  o 71.763  2.3629  2789.52    183.662  2649.19    259.144  2931.14    260.335  69.927  3.4216  73.556  3.2677  -3.628433      4.731288  
1 1 1 -4  14  5  o 521.889 8.7034  147882.59  4919.68  142212.41  6957.29  153553.30  6957.66  511.073 12.569  531.165 12.094  -20.09268      17.44219  
1 1 1 -4  14  6  o 455.034 7.6607  112326.80  3775.56  113273.80  5339.56  111379.80  5339.35  456.556 10.798  452.710 10.889  3.846283       15.33530  
1 1 1 -4  14  7  o 350.206 6.0284  66474.09   2286.64  67482.53   3234.12  65466.03   3233.49  352.709 8.4658  347.390 8.5938  5.318481       12.06328  
1 1 1 -4  14  8  o 375.482 6.8547  76415.30   2787.72  75890.98   3657.08  77142.55   4307.05  374.077 9.0262  377.049 10.547  -2.972382      13.88172  
1 1 1 -4  14  9  o 849.899 28.146  395927.19  25909.22 395927.19  25909.22 0.0000     0.0000   849.899 28.146  ?       ?       0.000000       28.14601  
1 1 1 -4  14  10 o 249.942 4.4472  33841.68   1203.92  31638.57   2405.77  34577.73   1390.56  241.548 9.1956  252.634 5.0819  -11.08566      10.50643  
1 1 1 -4  14  11 o 188.783 3.8248  19305.04   782.069  17315.67   1935.73  19693.11   854.953  178.379 10.060  190.667 4.1400  -12.28731      10.87871  
1 1 1 -4  14  12 o 591.237 12.458  189850.41  7977.90  190620.00  12397.46 189306.50  10422.67 591.235 19.360  589.785 16.316  1.450500       25.31835  
1 1 1 -4  14  13 o 465.596 10.986  117701.80  5540.15  128881.60  7836.24  106529.30  7833.66  486.684 14.866  442.253 16.354  44.43121       22.10084  
1 1 1 -4  14  14 o 179.040 3.6502  17365.85   707.840  15619.52   1344.89  18034.94   832.470  169.706 7.3168  182.445 4.2128  -12.73918      8.442909  
1 1 1 -4  14  15 o 162.161 3.5963  14247.05   631.640  14250.37   1469.59  14246.29   699.552  161.801 8.4149  162.148 3.9832  -0.3475494     9.310003  
1 1 1 -4  14  16 o 237.705 4.7520  30630.07   1223.45  30181.96   2291.44  30808.75   1446.95  235.658 8.9775  238.350 5.6049  -2.692352      10.58350  
1 1 1 -4  14  17 o 303.782 5.2285  50051.14   1720.30  46816.91   3435.55  51133.46   1987.41  293.083 10.823  306.978 5.9774  -13.89496      12.36364  
1 1 1 -4  14  18 o 286.841 5.0862  44631.43   1580.18  45613.52   3158.40  44303.52   1825.02  289.279 10.080  285.703 5.8977  3.575714       11.67896  
1 1 1 -4  14  19 o 301.445 5.3093  49313.90   1733.46  48678.12   3464.83  49526.18   2002.04  298.533 10.716  301.988 6.1209  -3.455902      12.34061  
1 1 1 -4  14  20 o 114.365 3.0627  7088.81    379.374  8139.99    746.246  6722.45    440.552  122.437 5.6273  111.352 3.6528  11.08441       6.708921  
1 1 1 -4  14  21 o 94.711  2.7781  4861.35    284.986  5222.25    494.186  4681.53    348.831  98.098  4.6511  92.924  3.4659  5.174927       5.800486  
1 1 1 -4  14  22 o 232.493 4.4932  29339.69   1131.44  26686.36   2897.23  29817.18   1229.04  219.807 12.218  234.334 4.8424  -14.52734      13.14231  
1 1 1 -4  14  23 o 139.718 3.2838  10587.51   496.943  9416.11    1051.87  10924.08   563.834  131.155 7.4353  141.896 3.6687  -10.74051      8.291126  
1 1 1 -4  14  24 o 49.510  2.2435  1328.71    120.309  1339.37    138.527  1295.99    242.696  49.634  2.5858  48.602  4.6678  1.031742       5.336150  
1 1 1 -4  14  25 o 18.552  1.3520  187.475    26.980   188.446    27.238   136.755    196.774  18.600  1.3615  18.667  7.0762  -0.6676483E-01 7.205966  
1 1 1 -4  14  26 o 186.410 4.4482  18954.77   898.099  20855.29   1916.98  18420.32   1016.56  193.290 9.1567  183.551 5.1134  9.739883       10.48768  
1 1 1 -4  14  27 o 114.995 3.1729  7197.09    395.192  7587.34    743.961  7043.69    466.443  117.376 5.8520  113.643 3.7895  3.732658       6.971785  
1 1 1 -4  14  28 o 76.168  2.8441  3157.62    234.631  3118.75    323.712  3200.63    340.566  75.417  3.9770  76.366  4.1328  -0.9490585     5.735593  
1 1 1 -4  14  29 f 25.253  1.8239  348.044    49.551   344.451    50.504   440.623    256.366  25.117  1.8699  27.530  8.0735  -2.413080      8.287176  
1 1 1 -4  14  30 o 43.399  5.3877  1063.27    247.801  741.489    487.310  1175.49    287.787  34.853  11.298  45.454  5.9916  -10.60054      12.78860  
1 1 1 -4  14  31 f 27.211  1.6570  403.801    48.603   575.426    472.125  401.963    48.862   31.225  11.103  27.148  1.6699  4.077213       11.22794  
1 1 1 -4  14  32 o 80.775  3.6141  3600.66    316.189  4442.33    632.821  3320.62    365.018  87.521  6.7272  77.115  4.3884  10.40592       8.031994  
1 1 1 -4  14  33 o 25.398  7.8129  398.762    235.882  -111.5984  479.458  561.737    270.939  20.945  9.5507  29.779  8.1589  -8.834146      12.56114  
1 1 1 -4  14  34 o 26.919  8.5596  490.564    280.727  0.0000     0.0000   490.564    280.727  ?       ?       26.919  8.5596  0.000000       8.559569  
1 1 1 -4  14  35 o 25.586  11.615  351.375    699.190  0.0000     0.0000   351.375    699.190  ?       ?       25.586  11.615  0.000000       11.61509  
1 1 1 -4  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  15  1  o 47.177  1.4249  1205.40    72.811   1050.85    141.736  1260.80    84.864   43.942  2.9959  48.249  1.6239  -4.306400      3.407716  
1 1 1 -4  15  2  o 253.780 4.4978  34901.34   1236.31  34064.23   1748.18  35738.90   1748.64  250.632 6.4399  256.727 6.2887  -6.094910      9.001094  
1 1 1 -4  15  3  o 315.052 5.5033  53808.39   1877.90  55216.67   2655.81  52400.23   2655.70  318.992 7.6868  310.734 7.8908  8.258606       11.01597  
1 1 1 -4  15  4  o 319.785 5.5662  55440.39   1927.93  56218.65   2726.36  54661.96   2726.65  321.852 7.8209  317.355 7.9326  4.497070       11.13964  
1 1 1 -4  15  5  o 442.697 7.4617  106329.20  3577.80  103742.50  5059.57  108916.40  5059.97  436.857 10.693  447.658 10.436  -10.80115      14.94161  
1 1 1 -4  15  6  o 113.739 2.7787  7007.27    342.313  7074.89    483.696  6939.43    484.512  114.274 3.9080  113.174 3.9526  1.099823       5.558400  
1 1 1 -4  15  7  o 313.520 6.2658  53276.45   2127.70  55246.92   3686.38  52292.10   2605.49  319.012 10.669  310.542 7.7464  8.470367       13.18460  
1 1 1 -4  15  8  f 702.894 16.454  268778.31  12526.76 268778.31  12526.76 0.0000     0.0000   702.894 16.454  ?       ?       0.000000       16.45428  
1 1 1 -4  15  9  o 345.272 5.9361  64594.67   2219.91  64738.18   3139.46  64451.16   3139.38  345.563 8.3880  344.796 8.4064  0.7677002      11.87545  
1 1 1 -4  15  10 o 727.281 11.985  287092.31  9441.19  293090.31  13352.14 281094.91  13351.58 734.044 16.794  718.799 17.150  15.24579       24.00322  
1 1 1 -4  15  11 o 424.182 7.1570  97526.02   3288.18  99935.81   6576.03  96722.66   3796.92  428.850 14.158  422.368 8.2999  6.481689       16.41110  
1 1 1 -4  15  12 o 658.748 18.390  236503.30  13120.78 0.0000     0.0000   236503.30  13120.78 ?       ?       658.748 18.390  0.000000       18.38951  
1 1 1 -4  15  13 o 454.052 10.807  111935.60  5314.71  115198.00  7516.78  108674.40  7515.48  460.062 15.085  446.779 15.531  13.28333       21.65094  
1 1 1 -4  15  14 o 1098.19 37.170  678530.69  44212.22 678530.69  44212.22 0.0000     0.0000   1098.19 37.170  ?       ?       0.000000       37.17014  
1 1 1 -4  15  15 o 217.951 4.6053  25744.52   1087.15  23873.16   2584.34  26146.88   1198.34  209.165 11.451  219.632 5.0375  -10.46616      12.51005  
1 1 1 -4  15  16 o 210.950 4.0190  24116.68   918.259  24656.87   1834.53  23936.10   1060.70  213.073 7.9493  210.133 4.6604  2.940826       9.214684  
1 1 1 -4  15  17 o 430.365 7.2874  100599.50  3396.89  99362.47   6791.20  101012.30  3922.89  425.782 14.726  431.038 8.4027  -5.256378      16.95480  
1 1 1 -4  15  18 o 248.161 4.9272  33403.52   1324.34  35223.66   3484.54  33096.21   1431.78  253.708 12.681  246.981 5.3523  6.726364       13.76395  
1 1 1 -4  15  19 o 207.734 4.2035  23400.99   945.769  22678.30   2375.88  23537.07   1030.97  203.458 10.820  208.311 4.5695  -4.853973      11.74569  
1 1 1 -4  15  20 o 211.081 4.0848  24163.24   933.870  25912.18   1865.53  23578.42   1078.77  218.163 7.8950  208.456 4.7780  9.706497       9.228213  
1 1 1 -4  15  21 o 155.605 3.4486  13127.52   581.208  14457.58   1151.65  12673.00   673.231  163.058 6.5209  152.853 4.0665  10.20448       7.684992  
1 1 1 -4  15  22 o 64.621  3.0898  2263.96    216.259  2548.36    465.340  2185.61    244.237  68.144  6.3791  63.381  3.5724  4.762596       7.311247  
1 1 1 -4  15  23 f 170.497 3.5727  15770.72   659.759  16545.24   1306.33  15505.51   764.415  174.204 6.9235  169.002 4.1761  5.202408       8.085403  
1 1 1 -4  15  24 o 120.284 3.1271  7849.50    407.394  7817.59    807.386  7860.39    471.869  119.555 6.2568  120.330 3.6206  -0.7752380     7.228858  
1 1 1 -4  15  25 o 159.598 3.4935  13838.52   603.888  15213.83   1201.91  13374.08   698.450  166.638 6.6593  156.800 4.1126  9.838074       7.826864  
1 1 1 -4  15  26 o 32.032  1.7323  557.922    59.877   537.769    466.832  558.260    60.376   32.045  11.067  32.041  1.7463  0.4314423E-02  11.20410  
1 1 1 -4  15  27 o 92.335  3.2859  4642.18    328.617  5080.47    672.803  4504.86    376.594  95.630  6.5348  90.872  3.8262  4.757263       7.572588  
1 1 1 -4  15  28 o 104.198 3.3021  5919.96    372.670  5983.70    742.319  5898.48    430.908  103.489 6.6579  103.887 3.8296  -0.3981857     7.680756  
1 1 1 -4  15  29 o 51.997  4.5046  1498.06    251.186  2703.46    506.006  1103.89    289.355  69.092  6.8520  44.088  6.2334  25.00498       9.263149  
1 1 1 -4  15  30 o 30.795  7.2195  559.757    236.614  1142.79    471.591  363.606    273.536  43.002  10.267  25.435  8.4759  17.56681       13.31369  
1 1 1 -4  15  31 o 76.361  3.6708  3209.71    303.599  3360.87    608.675  3159.64    350.282  75.922  7.5000  75.420  4.3059  0.5022736      8.648159  
1 1 1 -4  15  32 o 38.177  6.0998  849.352    243.735  853.483    495.681  848.035    279.913  35.940  11.368  37.693  7.1171  -1.753086      13.41227  
1 1 1 -4  15  33 f 30.530  7.3558  578.438    240.358  374.469    485.453  644.678    276.647  26.731  10.813  31.936  8.0115  -5.205313      13.45786  
1 1 1 -4  15  34 o 15.857  7.1918  -63.8264   267.268  0.0000     0.0000   -63.8264   267.268  ?       ?       15.857  7.1918  0.000000       7.191788  
1 1 1 -4  15  35 o 26.939  11.973  518.414    700.292  0.0000     0.0000   518.414    700.292  ?       ?       26.939  11.973  0.000000       11.97263  
1 1 1 -4  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  16  1  f 505.741 17.023  139838.20  9324.57  0.0000     0.0000   139838.20  9324.57  ?       ?       505.741 17.023  0.000000       17.02277  
1 1 1 -4  16  2  o 433.814 10.372  102286.60  4873.52  102525.00  6892.02  102048.20  6892.38  433.536 14.677  432.519 14.713  1.016602       20.78204  
1 1 1 -4  16  3  o 394.059 9.4065  84354.70   4014.74  93814.36   5678.26  74898.76   5677.14  415.051 12.631  370.593 14.144  44.45798       18.96287  
1 1 1 -4  16  4  o 528.599 17.769  152944.20  10173.05 152944.20  10173.05 0.0000     0.0000   528.599 17.769  ?       ?       0.000000       17.76865  
1 1 1 -4  16  5  o 139.644 3.0095  10563.52   455.183  10566.03   643.792  10561.00   643.660  139.641 4.2566  139.608 4.2567  0.3320313E-01  6.019815  
1 1 1 -4  16  6  o 618.708 20.652  209544.00  13839.38 209544.00  13839.38 0.0000     0.0000   618.708 20.652  ?       ?       0.000000       20.65192  
1 1 1 -4  16  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  16  8  o 501.526 8.3707  136369.30  4547.02  135556.50  6430.50  137182.00  6430.41  499.743 11.880  502.737 11.809  -2.994110      16.75123  
1 1 1 -4  16  9  o 528.207 9.6408  151306.41  5515.53  149606.80  8561.81  152512.09  7211.19  524.702 15.065  530.048 12.561  -5.346252      19.61493  
1 1 1 -4  16  10 o 783.126 12.856  332996.31  10904.57 333189.19  15421.57 332803.50  15421.22 782.327 18.200  781.872 18.210  0.4551392      25.74581  
1 1 1 -4  16  11 o 756.546 12.414  310781.69  10172.03 293980.81  20343.05 316382.81  11745.84 732.674 25.635  763.021 14.213  -30.34790      29.31144  
1 1 1 -4  16  12 o 691.756 18.924  260926.00  14178.74 0.0000     0.0000   260926.00  14178.74 ?       ?       691.756 18.924  0.000000       18.92408  
1 1 1 -4  16  13 o 437.169 10.430  103755.50  4938.75  95618.51   6984.12  111893.90  6984.77  419.070 15.387  453.512 14.220  -34.44159      20.95146  
1 1 1 -4  16  14 o 234.555 4.4835  29811.52   1139.03  27475.31   2131.72  30745.04   1347.53  224.994 8.7476  238.175 5.2236  -13.18123      10.18856  
1 1 1 -4  16  15 o 58.756  3.2352  1875.97    205.091  1718.23    402.735  1931.20    238.306  55.871  6.7952  59.586  3.7109  -3.715752      7.742450  
1 1 1 -4  16  16 o 371.903 6.8466  75065.95   2757.88  75004.27   5116.32  75091.21   3274.29  370.761 12.741  371.800 8.1309  -1.039032      15.11410  
1 1 1 -4  16  17 o 321.331 5.5807  56015.41   1942.28  58665.06   3883.34  55131.46   2242.98  328.028 10.930  318.686 6.4982  9.342194       12.71587  
1 1 1 -4  16  18 o 298.337 5.2669  48289.59   1701.90  45367.26   3401.04  49265.82   1965.72  288.303 10.892  301.253 6.0245  -12.94913      12.44674  
1 1 1 -4  16  19 o 204.765 3.9828  22734.14   883.312  24556.22   1763.83  22124.21   1020.50  212.464 7.6648  201.954 4.6654  10.50998       8.973041  
1 1 1 -4  16  20 o 123.590 3.1150  8278.77    416.975  10010.03   827.925  7690.39    482.657  135.771 5.6301  119.095 3.7418  16.67591       6.760077  
1 1 1 -4  16  21 o 181.093 3.8477  17785.71   754.703  16875.97   1812.02  17976.65   830.132  175.493 9.5692  182.037 4.2103  -6.544174      10.45453  
1 1 1 -4  16  22 o 88.016  3.1296  4200.14    298.349  4503.42    579.656  4090.84    347.982  90.814  5.9256  86.844  3.6995  3.969772       6.985689  
1 1 1 -4  16  23 o 119.933 3.1370  7800.67    407.500  7341.94    805.649  7958.38    472.382  115.915 6.4425  121.113 3.6011  -5.197380      7.380597  
1 1 1 -4  16  24 o 184.617 3.9339  18512.19   786.629  20033.93   1491.02  17925.27   925.983  191.401 7.1923  181.552 4.7090  9.848495       8.596772  
1 1 1 -4  16  25 o 72.142  3.2665  2826.62    255.239  3035.95    491.189  2749.19    298.739  74.246  6.1638  70.998  3.8998  3.247704       7.293926  
1 1 1 -4  16  26 o 57.467  2.4529  1792.55    152.677  1721.35    525.625  1799.11    159.556  54.835  9.1742  57.566  2.5590  -2.731068      9.524411  
1 1 1 -4  16  27 o 62.773  3.8052  2157.43    257.495  2289.09    538.045  2118.32    293.259  63.539  7.9953  62.088  4.3892  1.450871       9.120821  
1 1 1 -4  16  28 o 50.767  4.6722  1426.53    254.026  1005.78    499.073  1573.66    295.115  40.827  11.027  53.213  5.1863  -12.38688      12.18556  
1 1 1 -4  16  29 o 58.566  4.2555  1893.62    268.093  2302.13    528.714  1752.23    311.046  63.245  7.8899  56.066  5.1808  7.179470       9.438807  
1 1 1 -4  16  30 o 20.462  1.3223  228.077    29.149   -141.3775  450.290  229.631    29.210   20.964  9.4371  20.532  1.3205  0.4320774      9.529051  
1 1 1 -4  16  31 o 34.828  5.9497  702.122    216.375  937.909    481.307  642.399    242.233  38.185  11.023  32.907  7.0109  5.278313       13.06399  
1 1 1 -4  16  32 o 38.845  2.5744  828.672    107.700  697.012    503.033  834.997    110.257  32.999  11.483  38.982  2.6267  -5.983513      11.77962  
1 1 1 -4  16  33 o 9.1579  2.9490  45.095     33.241   -464.8468  456.911  47.808     33.329   17.503  8.3911  9.3617  2.9463  8.141271       8.893287  
1 1 1 -4  16  34 o 23.017  8.4634  330.906    277.194  0.0000     0.0000   330.906    277.194  ?       ?       23.017  8.4634  0.000000       8.463441  
1 1 1 -4  16  35 o 28.370  12.306  679.409    700.081  0.0000     0.0000   679.409    700.081  ?       ?       28.370  12.306  0.000000       12.30557  
1 1 1 -4  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  1  o 166.411 3.5421  15003.52   638.425  15469.58   859.682  14430.42   953.297  168.949 4.6980  163.156 5.3945  5.792709       7.153471  
1 1 1 -4  17  2  o 415.168 8.0348  93555.16   3613.03  85581.22   6256.10  97545.67   4425.69  396.060 14.584  423.720 9.6434  -27.66034      17.48384  
1 1 1 -4  17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  4  o 534.826 12.637  155721.09  7320.54  160914.91  10352.82 150527.30  10352.79 542.331 17.625  524.349 18.229  17.98206       25.35616  
1 1 1 -4  17  5  o 152.326 3.1625  12569.33   521.767  11945.06   737.358  13195.40   738.424  148.471 4.5853  156.053 4.3688  -7.581589      6.333348  
1 1 1 -4  17  6  o 272.092 4.8530  40115.28   1430.21  38460.25   2022.39  41771.07   2022.86  266.342 7.0106  277.581 6.7283  -11.23972      9.716940  
1 1 1 -4  17  7  o 689.606 22.904  260010.80  17107.20 0.0000     0.0000   260010.80  17107.20 ?       ?       689.606 22.904  0.000000       22.90382  
1 1 1 -4  17  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  9  o 214.810 4.2273  24995.76   983.531  26333.79   1493.30  23970.65   1307.08  220.449 6.2541  210.335 5.7375  10.11391       8.487209  
1 1 1 -4  17  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  12 o 305.482 8.5278  50608.95   2821.57  0.0000     0.0000   50608.95   2821.57  ?       ?       305.482 8.5278  0.000000       8.527759  
1 1 1 -4  17  13 o 172.506 4.9813  16125.12   930.726  18074.67   1318.14  14186.75   1314.36  182.595 6.6650  161.746 7.5025  20.84856       10.03548  
1 1 1 -4  17  14 f 410.100 7.3343  91225.54   3257.74  82937.94   9138.17  92432.16   3486.84  388.001 21.834  412.760 7.7995  -24.75861      23.18484  
1 1 1 -4  17  15 o 213.273 4.0443  24647.76   934.210  25165.63   1866.40  24474.63   1079.12  215.309 8.0034  212.500 4.6886  2.809189       9.275585  
1 1 1 -4  17  16 o 377.665 6.4472  77395.11   2637.23  80801.04   5273.66  76259.34   3045.36  384.803 12.653  374.753 7.5028  10.05008       14.71047  
1 1 1 -4  17  17 o 137.605 3.2646  10260.64   486.565  10104.13   1053.53  10303.07   548.575  136.206 7.1665  137.878 3.6734  -1.672165      8.053162  
1 1 1 -4  17  18 o 183.813 3.7113  18314.63   738.882  18588.15   1401.69  18209.38   869.498  184.962 6.9968  183.251 4.3808  1.710724       8.255093  
1 1 1 -4  17  19 o 117.762 3.0809  7515.66    392.962  7746.95    770.371  7434.31    456.870  119.440 5.9550  117.107 3.6020  2.333115       6.959603  
1 1 1 -4  17  20 o 148.626 3.3437  11974.38   538.262  11903.19   1061.28  11999.04   624.551  147.974 6.6218  148.754 3.8764  -0.7801666     7.672945  
1 1 1 -4  17  21 o 162.321 3.4832  14286.02   612.388  12792.49   1216.85  14792.58   708.670  153.289 7.3292  165.145 3.9619  -11.85663      8.331502  
1 1 1 -4  17  22 o 302.689 5.3681  49785.64   1759.91  53166.55   3517.73  48656.89   2032.56  311.339 10.432  299.052 6.2752  12.28677       12.17375  
1 1 1 -4  17  23 o 135.290 3.3374  9928.41    489.036  10427.15   1018.29  9778.90    557.542  138.294 6.7982  134.233 3.8348  4.060959       7.805268  
1 1 1 -4  17  24 o 208.235 4.2752  23566.17   964.222  23852.59   2423.31  23512.29   1051.00  207.254 10.833  207.926 4.6668  -0.6727753     11.79545  
1 1 1 -4  17  25 o 74.898  3.1271  3046.20    253.675  3008.88    499.288  3059.18    294.521  73.874  6.3003  75.023  3.6245  -1.148621      7.268452  
1 1 1 -4  17  26 o 54.804  3.7082  1642.62    218.817  1524.09    517.514  1668.42    241.464  51.367  9.6564  55.180  4.0689  -3.813660      10.47861  
1 1 1 -4  17  27 o 81.132  3.3822  3585.78    297.210  3616.02    612.088  3576.44    339.980  80.383  7.1035  80.951  3.8776  -0.5684586     8.092933  
1 1 1 -4  17  28 o 74.265  3.5949  3011.70    289.161  3583.02    579.872  2822.61    333.598  79.911  6.7632  71.640  4.3195  8.271103       8.024886  
1 1 1 -4  17  29 o 75.891  3.6017  3151.50    296.053  3548.29    595.388  3021.17    341.228  79.124  7.0203  74.033  4.2737  5.090576       8.218842  
1 1 1 -4  17  30 o 72.894  2.8411  2900.86    224.307  3292.32    585.795  2833.60    242.813  75.718  7.2308  71.985  3.1143  3.732628       7.872974  
1 1 1 -4  17  31 o 11.582  2.5185  76.034     30.693   394.445    457.159  74.592     30.763   27.896  10.735  11.468  2.5433  16.42815       11.03217  
1 1 1 -4  17  32 o 33.693  6.9813  679.697    246.398  1135.71    484.251  520.391    286.219  41.616  10.688  29.042  8.5345  12.57457       13.67705  
1 1 1 -4  17  33 o 50.388  2.7489  1400.70    149.457  1963.65    530.611  1352.19    155.764  55.136  9.2102  49.446  2.9214  5.689732       9.662399  
1 1 1 -4  17  34 o 43.602  5.8883  1150.19    270.965  0.0000     0.0000   1150.19    270.965  ?       ?       43.602  5.8883  0.000000       5.888311  
1 1 1 -4  17  35 o 27.084  11.988  544.570    695.200  0.0000     0.0000   544.570    695.200  ?       ?       27.084  11.988  0.000000       11.98823  
1 1 1 -4  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  18  1  o 272.819 4.8554  40340.85   1434.74  38233.02   2028.76  42449.82   2029.31  265.475 7.0556  279.756 6.6973  -14.28101      9.728075  
1 1 1 -4  18  2  o 433.591 10.345  102184.90  4858.48  98170.22   6870.53  106200.60  6871.32  424.145 14.956  441.279 14.377  -17.13391      20.74509  
1 1 1 -4  18  3  o 513.701 12.158  143613.80  6764.65  142252.20  9566.43  144975.50  9566.88  509.975 17.319  514.882 17.155  -4.906403      24.37734  
1 1 1 -4  18  4  o 327.089 5.5784  57994.26   1976.28  55670.07   2794.52  60319.67   2795.26  320.303 8.0552  333.436 7.7400  -13.13303      11.17107  
1 1 1 -4  18  5  o 313.500 5.4414  53266.32   1847.66  52509.75   2612.65  54023.29   2613.32  311.142 7.7527  315.602 7.6451  -4.459167      10.88812  
1 1 1 -4  18  6  o 518.304 8.6280  145710.09  4843.59  143512.09  6849.71  147908.30  6850.03  513.965 12.305  521.802 12.120  -7.837402      17.27160  
1 1 1 -4  18  7  o 230.232 4.2143  28714.76   1050.89  28489.23   1486.54  28940.08   1485.84  229.291 5.9857  231.100 5.9361  -1.808365      8.430093  
1 1 1 -4  18  8  f 656.011 10.796  233467.50  7670.95  232478.91  10848.44 234456.00  10848.27 654.039 15.314  656.824 15.249  -2.785095      21.61148  
1 1 1 -4  18  9  o 346.214 5.9662  64947.75   2237.23  66147.98   3164.12  63747.83   3163.72  349.307 8.3633  342.904 8.5183  6.402557       11.93760  
1 1 1 -4  18  10 o 332.459 5.7135  59888.91   2057.36  60288.71   2909.90  59489.30   2909.18  333.479 8.0564  331.259 8.1084  2.220581       11.43024  
1 1 1 -4  18  11 o 327.945 6.5807  58287.46   2337.47  62119.02   4048.22  56371.13   2862.94  338.317 11.048  322.441 8.1977  15.87598       13.75693  
1 1 1 -4  18  12 o 450.690 10.731  110253.90  5238.20  0.0000     0.0000   110253.90  5238.20  ?       ?       450.690 10.731  0.000000       10.73085  
1 1 1 -4  18  13 o 631.123 17.919  217396.50  12249.21 229627.30  22669.35 212352.91  14557.34 642.085 32.705  622.670 21.585  19.41437       39.18607  
1 1 1 -4  18  14 o 613.908 10.981  204860.50  7301.80  200474.00  20971.71 205465.70  7789.17  597.969 32.503  614.660 11.700  -16.69153      34.54442  
1 1 1 -4  18  15 o 310.210 5.4525  52173.70   1831.98  53874.18   3662.79  51606.40   2115.61  314.702 10.746  308.457 6.3324  6.245544       12.47293  
1 1 1 -4  18  16 o 486.609 8.1431  128649.90  4291.80  127868.90  8582.45  128910.30  4955.96  482.743 16.414  486.840 9.3988  -4.097046      18.91479  
1 1 1 -4  18  17 o 337.296 5.8577  61734.41   2139.99  61406.70   4278.27  61843.76   2471.38  335.385 11.778  337.483 6.7611  -2.097992      13.58023  
1 1 1 -4  18  18 o 277.453 4.9521  41759.03   1488.16  38698.36   2970.49  42784.60   1719.50  266.349 10.297  280.768 5.6544  -14.41913      11.74729  
1 1 1 -4  18  19 o 340.225 6.3320  62882.54   2333.34  64847.36   4334.29  62080.73   2768.81  344.229 11.625  337.824 7.5672  6.405548       13.87108  
1 1 1 -4  18  20 o 355.745 6.1682  68764.20   2376.65  72200.44   4751.54  67617.66   2744.66  362.815 12.091  352.557 7.1877  10.25830       14.06650  
1 1 1 -4  18  21 o 138.441 3.3404  10390.89   500.880  8974.33    1039.90  10818.81   571.547  128.151 7.5250  141.243 3.7361  -13.09187      8.401446  
1 1 1 -4  18  22 o 141.125 3.3318  10799.88   509.277  10316.96   998.926  10969.48   591.991  137.658 6.6998  142.197 3.8437  -4.539871      7.724107  
1 1 1 -4  18  23 o 150.567 3.3876  12298.14   552.446  11695.18   1096.02  12503.50   639.644  146.437 6.9103  151.778 3.8910  -5.341125      7.930473  
1 1 1 -4  18  24 o 104.954 3.1003  5976.86    352.432  5482.18    685.305  6154.74    410.939  100.013 6.3594  106.472 3.5635  -6.458466      7.289741  
1 1 1 -4  18  25 o 76.453  2.6687  3171.83    220.987  3399.65    327.865  2982.17    299.151  79.067  3.8285  73.966  3.7463  5.100937       5.356526  
1 1 1 -4  18  26 f 117.373 3.0837  7489.04    392.019  9257.73    822.993  6969.97    445.848  129.862 5.8512  113.149 3.6380  16.71313       6.889971  
1 1 1 -4  18  27 o 104.795 3.2279  5979.91    366.383  6425.73    748.655  5839.52    420.132  107.576 6.4552  103.460 3.7493  4.116982       7.464985  
1 1 1 -4  18  28 o 44.442  5.0345  1100.51    238.063  1522.19    483.492  965.564    273.517  51.007  9.0846  41.251  6.3234  9.756210       11.06867  
1 1 1 -4  18  29 o 32.272  6.7752  605.044    229.274  799.863    466.910  543.141    263.191  36.313  10.956  30.350  7.9219  5.962898       13.52036  
1 1 1 -4  18  30 o 91.191  3.0379  4545.67    300.049  4726.37    672.644  4500.77    335.251  91.041  6.8721  90.629  3.4153  0.4122391      7.674012  
1 1 1 -4  18  31 o 73.681  3.8481  3002.94    306.030  2804.53    596.513  3073.82    356.525  68.753  8.1705  74.287  4.4516  -5.534721      9.304461  
1 1 1 -4  18  32 o 86.653  3.5296  4143.49    331.273  4824.33    658.695  3912.98    383.271  91.106  6.7227  83.767  4.2381  7.338882       7.947120  
1 1 1 -4  18  33 o 13.318  6.2337  -179.3887  224.784  341.663    452.851  -349.7426  258.935  25.686  10.425  12.806  6.1843  12.87974       12.12161  
1 1 1 -4  18  34 o 30.998  8.5034  657.504    294.090  0.0000     0.0000   657.504    294.090  ?       ?       30.998  8.5034  0.000000       8.503424  
1 1 1 -4  18  35 o 27.841  12.173  628.157    696.693  0.0000     0.0000   628.157    696.693  ?       ?       27.841  12.173  0.000000       12.17262  
1 1 1 -4  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  19  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  19  2  o 509.270 12.029  141128.30  6634.87  150590.41  9383.42  131667.41  9382.83  524.961 16.503  490.553 17.659  34.40793       24.17036  
1 1 1 -4  19  3  o 265.231 4.7743  38123.88   1371.54  39017.96   1939.51  37229.55   1939.79  268.232 6.6759  262.004 6.8356  6.228210       9.554766  
1 1 1 -4  19  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  19  5  o 473.886 7.9097  121794.30  4059.81  123487.10  5741.31  120101.40  5741.57  476.825 11.117  470.224 11.273  6.601349       15.83269  
1 1 1 -4  19  6  o 263.433 4.6780  37597.76   1334.74  38181.95   1887.64  37013.61   1887.58  265.418 6.5663  261.322 6.6690  4.095734       9.359046  
1 1 1 -4  19  7  o 430.983 7.2507  100676.00  3384.61  100041.80  4786.58  101310.30  4786.54  429.439 10.291  432.158 10.226  -2.718628      14.50778  
1 1 1 -4  19  8  o 574.488 10.941  179052.30  6807.89  185224.59  11792.80 175967.09  8337.51  583.310 18.666  569.248 13.523  14.06140       23.04946  
1 1 1 -4  19  9  o 333.223 5.7455  60163.28   2073.65  57195.76   2932.59  63130.80   2932.58  324.810 8.3359  341.264 7.9340  -16.45361      11.50801  
1 1 1 -4  19  10 o 348.313 6.2542  65744.53   2359.46  65250.80   3639.47  66102.48   3098.90  346.847 9.6879  349.180 8.1939  -2.332916      12.68838  
1 1 1 -4  19  11 o 468.002 7.8562  118746.20  3982.29  119079.90  5632.15  118412.50  5631.47  468.400 11.102  467.083 11.132  1.317352       15.72130  
1 1 1 -4  19  12 o 419.253 14.242  95586.85   6467.11  0.0000     0.0000   95586.85   6467.11  ?       ?       419.253 14.242  0.000000       14.24177  
1 1 1 -4  19  13 o 497.171 9.6350  134175.59  5188.34  136721.09  8985.81  132902.59  6354.63  500.713 16.569  494.506 11.864  6.206787       20.37890  
1 1 1 -4  19  14 o 366.607 6.3058  72877.32   2503.86  77199.55   5006.87  71435.92   2891.38  376.658 12.273  362.881 7.3565  13.77737       14.30885  
1 1 1 -4  19  15 o 317.140 5.8727  54543.42   2017.26  56312.64   3752.11  53824.11   2392.45  321.718 10.768  314.949 7.0135  6.768707       12.85052  
1 1 1 -4  19  16 o 237.212 4.3896  30502.40   1127.79  30372.40   2252.81  30545.87   1302.80  236.361 8.7999  237.343 5.0679  -0.9819183     10.15493  
1 1 1 -4  19  17 o 58.725  3.2117  1874.32    203.508  1245.25    396.216  2099.75    237.185  47.212  8.0363  62.144  3.5385  -14.93239      8.780834  
1 1 1 -4  19  18 o 42.234  2.0027  966.228    91.612   956.441    102.075  1006.76    207.733  41.957  2.2544  42.846  4.5458  -0.8886795     5.074140  
1 1 1 -4  19  19 o 265.519 4.8149  38249.34   1384.69  40889.95   2767.15  37367.24   1599.33  273.845 9.3295  262.352 5.6284  11.49301       10.89580  
1 1 1 -4  19  20 o 280.754 5.7243  42810.27   1740.69  41739.61   4300.58  43020.05   1903.59  274.717 14.505  281.363 6.2465  -6.646332      15.79268  
1 1 1 -4  19  21 o 199.074 3.9032  21495.08   841.597  20384.68   1676.80  21868.99   973.033  193.387 8.0054  200.749 4.4751  -7.362518      9.171331  
1 1 1 -4  19  22 o 107.321 2.9669  6244.03    344.875  5497.52    625.904  6569.48    413.269  100.388 5.7809  110.061 3.4668  -9.672501      6.740736  
1 1 1 -4  19  23 o 173.612 3.7982  16358.59   714.218  16042.67   1346.70  16482.22   842.457  171.434 7.2528  174.194 4.4652  -2.760132      8.517080  
1 1 1 -4  19  24 o 114.635 3.0151  7129.89    374.354  7649.48    741.786  6952.34    433.624  118.444 5.7822  113.159 3.5380  5.284981       6.778748  
1 1 1 -4  19  25 o 34.204  5.0794  651.916    182.459  471.050    350.526  719.134    213.691  29.512  9.5834  35.843  5.6949  -6.331167      11.14781  
1 1 1 -4  19  26 o 105.337 2.9655  6030.68    338.337  7102.45    610.733  5556.11    406.397  113.949 4.9485  101.004 3.7149  12.94498       6.187714  
1 1 1 -4  19  27 o 20.055  7.2867  187.183    204.592  -224.3802  434.956  304.113    231.841  20.141  9.1502  23.732  7.7982  -3.590481      12.02239  
1 1 1 -4  19  28 o 47.776  4.7498  1266.46    242.528  1252.50    491.731  1270.95    278.797  45.744  10.186  47.670  5.5007  -1.926296      11.57670  
1 1 1 -4  19  29 o 116.784 3.1570  7446.45    399.324  8246.57    830.432  7205.79    455.436  121.262 6.3449  114.719 3.6654  6.542267       7.327510  
1 1 1 -4  19  30 o 54.696  4.4084  1662.66    258.944  1529.76    519.505  1706.59    298.694  49.983  9.9460  55.201  5.0519  -5.218159      11.15548  
1 1 1 -4  19  31 o 71.820  3.8800  2855.25    300.704  2785.58    585.788  2880.18    350.393  68.578  8.0390  71.856  4.5253  -3.278168      9.225198  
1 1 1 -4  19  32 o 29.974  1.3167  487.854    42.747   429.475    467.661  488.346    42.927   28.109  10.846  29.989  1.3216  -1.879217      10.92642  
1 1 1 -4  19  33 o 35.410  6.6633  763.205    246.175  585.707    492.912  822.191    284.151  29.656  11.210  36.296  7.4769  -6.640116      13.47448  
1 1 1 -4  19  34 o 22.927  9.5957  265.632    399.634  0.0000     0.0000   265.632    399.634  ?       ?       22.927  9.5957  0.000000       9.595733  
1 1 1 -4  19  35 o 26.660  11.771  513.593    666.266  0.0000     0.0000   513.593    666.266  ?       ?       26.660  11.771  0.000000       11.77141  
1 1 1 -4  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  19  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  20  1  f 359.427 7.1339  70075.83   2777.21  66956.15   3401.97  76308.62   4808.57  351.172 8.9442  374.534 11.854  -23.36249      14.84954  
1 1 1 -4  20  2  o 528.775 11.624  152049.91  6657.20  138396.20  10354.49 161670.41  8691.70  502.732 19.016  544.562 14.736  -41.82999      24.05764  
1 1 1 -4  20  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  20  4  o 315.050 5.3878  53791.87   1838.49  53483.17   2599.76  54100.70   2600.28  314.028 7.6435  315.839 7.6012  -1.810333      10.77973  
1 1 1 -4  20  5  o 440.817 7.3651  105355.20  3516.46  103426.30  4972.69  107284.60  4973.36  436.502 10.518  444.588 10.328  -8.085785      14.74107  
1 1 1 -4  20  6  o 355.309 6.0337  68411.93   2322.00  64837.51   3283.33  71988.45   3284.29  345.779 8.7669  364.373 8.3219  -18.59381      12.08773  
1 1 1 -4  20  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  20  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  20  9  o 87.726  2.5848  4168.11    245.596  4067.11    348.990  4267.21    345.684  86.651  3.7185  88.758  3.5958  -2.106628      5.172743  
1 1 1 -4  20  10 o 339.387 6.3458  62419.95   2332.65  63200.13   3064.76  61345.64   3596.36  341.421 8.2878  336.294 9.8736  5.127228       12.89085  
1 1 1 -4  20  11 o 640.053 10.579  222314.41  7333.63  226423.70  10371.95 218206.09  10370.68 645.299 14.840  633.433 15.116  11.86627       21.18287  
1 1 1 -4  20  12 o 176.917 7.1978  16968.88   1379.23  0.0000     0.0000   16968.88   1379.23  ?       ?       176.917 7.1978  0.000000       7.197770  
1 1 1 -4  20  13 o 179.200 3.6341  17396.77   705.355  16335.50   1406.82  17753.14   815.227  173.550 7.4842  181.016 4.1581  -7.466599      8.561665  
1 1 1 -4  20  14 o 359.701 6.1966  70157.55   2414.17  68730.89   4826.67  70633.54   2787.96  355.330 12.541  360.845 7.1334  -5.515564      14.42817  
1 1 1 -4  20  15 o 195.180 4.0661  20644.62   859.565  19703.99   1622.76  21011.47   1013.41  190.502 7.8648  196.881 4.7524  -6.379379      9.189104  
1 1 1 -4  20  16 o 105.940 2.9362  6080.74    336.915  6049.19    666.875  6091.55    390.403  105.433 5.8630  106.026 3.3996  -0.5938950     6.777307  
1 1 1 -4  20  17 o 126.918 3.0705  8728.39    422.084  9615.28    838.888  8427.76    488.410  133.113 5.8185  124.700 3.6162  8.412971       6.850702  
1 1 1 -4  20  18 o 68.225  2.4472  2521.83    180.837  2363.63    436.245  2554.66    198.714  65.685  6.2054  68.665  2.6719  -2.979767      6.756154  
1 1 1 -4  20  19 o 125.896 3.1844  8590.47    434.216  9107.32    897.053  8432.31    496.224  129.470 6.3971  124.715 3.6736  4.754341       7.376812  
1 1 1 -4  20  20 o 360.680 6.1537  70688.84   2403.98  65458.20   4802.26  72437.92   2776.98  345.133 12.847  364.929 7.0258  -19.79599      14.64232  
1 1 1 -4  20  21 o 392.725 7.2909  83982.23   3101.26  85811.80   8668.58  83713.70   3321.06  389.145 20.641  391.935 7.8234  -2.789948      22.07347  
1 1 1 -4  20  22 o 135.235 3.2947  9917.25    482.586  10002.59   937.146  9886.46    562.967  135.570 6.3822  134.992 3.8504  0.5776825      7.453749  
1 1 1 -4  20  23 o 138.530 3.3745  10411.08   506.315  10602.76   1078.56  10356.90   573.425  139.187 7.1789  138.134 3.8327  1.053024       8.137916  
1 1 1 -4  20  24 o 11.571  5.4068  -164.2892  167.885  -258.4267  313.440  -126.4171  198.807  16.271  7.5291  13.522  6.1596  2.749260       9.727739  
1 1 1 -4  20  25 o 85.200  3.0385  3941.98    280.392  4278.68    554.031  3826.04    325.101  88.252  5.8290  83.893  3.5779  4.359283       6.839434  
1 1 1 -4  20  26 o 130.524 3.2297  9266.78    456.587  9791.72    935.803  9102.77    523.073  133.290 6.4821  129.268 3.7359  4.021057       7.481666  
1 1 1 -4  20  27 o 63.985  2.7665  2226.34    191.728  2036.75    240.252  2558.81    318.157  61.000  3.6532  68.261  4.3256  -7.261074      5.661871  
1 1 1 -4  20  28 o 69.303  3.7973  2634.14    283.953  2936.73    555.235  2526.97    330.433  72.058  7.2110  67.693  4.5330  4.364777       8.517403  
1 1 1 -4  20  29 o 77.401  3.4724  3277.01    291.101  2825.11    596.738  3418.14    333.471  69.997  8.0156  78.948  3.8998  -8.951180      8.913965  
1 1 1 -4  20  30 o 25.909  7.6865  393.931    231.238  523.873    460.810  350.198    267.334  30.497  10.956  24.976  8.3796  5.520798       13.79305  
1 1 1 -4  20  31 o 44.641  5.2436  1131.27    248.705  1148.96    502.078  1125.51    286.297  42.135  10.914  44.154  6.1539  -2.019047      12.52953  
1 1 1 -4  20  32 o 43.225  5.4280  1072.74    248.516  1396.58    501.553  967.358    286.107  46.428  10.248  40.393  6.7799  6.035439       12.28792  
1 1 1 -4  20  33 o 22.011  7.8136  281.980    233.718  545.988    471.372  195.918    269.130  28.843  10.948  20.558  8.1400  8.285542       13.64230  
1 1 1 -4  20  34 o 20.883  9.1440  119.133    394.430  0.0000     0.0000   119.133    394.430  ?       ?       20.883  9.1440  0.000000       9.144023  
1 1 1 -4  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  21  1  o 84.428  2.3883  3860.86    218.400  3573.20    309.162  4147.42    308.569  81.214  3.5147  87.499  3.2560  -6.284828      4.791064  
1 1 1 -4  21  2  o 317.262 5.1866  54551.61   1782.25  53871.20   2520.33  55232.18   2520.64  315.155 7.3835  319.117 7.2927  -3.962128      10.37789  
1 1 1 -4  21  3  o 133.244 2.9124  9616.74    420.313  9856.92    594.146  9376.12    594.677  134.883 4.0669  131.551 4.1737  3.332291       5.827456  
1 1 1 -4  21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  21  5  o 364.941 6.2304  72178.27   2462.68  71955.97   3482.50  72400.62   3483.02  364.242 8.8273  365.368 8.8015  -1.125214      12.46547  
1 1 1 -4  21  6  o 217.204 4.0412  25555.86   950.719  25640.23   1344.14  25471.40   1344.90  217.533 5.7049  216.815 5.7270  0.7178040      8.083623  
1 1 1 -4  21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  21  8  o 699.985 16.240  266397.09  12312.16 266397.09  12312.16 0.0000     0.0000   699.985 16.240  ?       ?       0.000000       16.23960  
1 1 1 -4  21  9  o 508.532 8.5020  140208.20  4682.83  138857.70  6622.55  141558.70  6622.51  505.783 12.089  510.689 11.973  -4.906677      17.01447  
1 1 1 -4  21  10 o 524.192 9.4800  149033.30  5382.31  151351.50  7038.37  145768.41  8352.76  527.978 12.308  517.840 14.892  10.13782       19.32017  
1 1 1 -4  21  11 o 289.278 5.8570  45347.49   1835.12  47179.10   3178.82  44431.95   2247.45  294.883 9.9528  286.294 7.2478  8.588562       12.31217  
1 1 1 -4  21  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  21  13 o 132.006 3.1028  9439.37    443.620  10509.50   883.107  9078.18    513.050  139.240 5.8557  129.449 3.6592  9.791214       6.905010  
1 1 1 -4  21  14 f 351.901 6.0680  67147.29   2312.79  66272.36   4623.94  67439.20   2670.89  348.929 12.235  352.592 6.9938  -3.663544      14.09287  
1 1 1 -4  21  15 o 242.617 4.4616  31904.71   1172.41  30038.90   2341.75  32528.83   1354.38  235.089 9.1968  244.946 5.1051  -9.857040      10.51870  
1 1 1 -4  21  16 o 186.887 3.7336  18928.52   755.743  18947.05   1508.16  18922.30   873.298  186.773 7.4553  186.833 4.3156  -0.6002808E-01 8.614267  
1 1 1 -4  21  17 o 305.843 5.7927  50760.59   1918.89  53607.62   3571.80  49605.50   2275.09  313.566 10.517  302.207 6.9506  11.35956       12.60621  
1 1 1 -4  21  18 o 45.380  3.7411  1123.94    182.243  1367.02    351.756  1034.75    213.069  49.718  6.7031  43.437  4.5988  6.280960       8.128968  
1 1 1 -4  21  19 o 264.289 5.0481  37904.48   1445.04  38249.12   2694.30  37765.31   1712.12  264.821 9.3934  263.693 5.9947  1.127960       11.14326  
1 1 1 -4  21  20 o 274.803 5.6483  41013.71   1681.17  40598.97   4144.50  41095.39   1839.28  271.011 14.169  274.999 6.1751  -3.988037      15.45577  
1 1 1 -4  21  21 o 259.903 4.7508  36668.08   1337.35  36301.44   2670.26  36790.84   1545.10  257.672 9.5679  260.236 5.4818  -2.563507      11.02697  
1 1 1 -4  21  22 o 181.400 4.1023  17857.41   806.005  17453.57   1828.67  17954.78   897.930  178.284 9.5044  181.849 4.5589  -3.565430      10.54119  
1 1 1 -4  21  23 o 259.262 4.7303  36530.99   1328.29  34104.61   2646.42  37348.11   1535.75  249.048 9.8108  262.001 5.4119  -12.95323      11.20446  
1 1 1 -4  21  24 o 140.431 3.3991  10706.93   517.007  9784.09    1078.07  10982.56   589.178  133.392 7.4922  142.179 3.8260  -8.787292      8.412560  
1 1 1 -4  21  25 o 99.202  3.0914  5345.21    332.157  5304.17    642.771  5360.16    387.974  98.226  6.0715  99.288  3.6078  -1.061455      7.062475  
1 1 1 -4  21  26 o 70.909  2.6854  2731.46    206.243  2746.26    567.419  2729.21    221.385  69.960  7.6111  70.863  2.8844  -0.9027634     8.139331  
1 1 1 -4  21  27 o 107.954 3.2660  6348.18    381.875  7887.94    769.454  5844.99    439.869  119.536 5.9431  103.454 3.9256  16.08269       7.122545  
1 1 1 -4  21  28 o 128.037 3.3827  8948.45    469.102  10257.69   946.695  8522.36    540.068  135.688 6.4417  124.757 3.9968  10.93062       7.580857  
1 1 1 -4  21  29 o 27.729  7.2859  450.613    221.669  1026.99    457.409  273.696    253.416  40.991  10.312  23.040  8.1407  17.95049       13.13795  
1 1 1 -4  21  30 o 56.351  4.2292  1761.77    256.244  1808.81    522.416  1746.87    294.046  54.869  9.1101  55.882  4.9079  -1.012794      10.34801  
1 1 1 -4  21  31 o 97.676  3.1344  5233.65    331.601  4519.25    716.299  5428.52    374.102  87.807  7.6069  99.331  3.4772  -11.52372      8.363948  
1 1 1 -4  21  32 o 23.703  7.7423  330.552    228.657  615.322    467.330  240.922    262.183  31.190  11.051  21.855  8.1936  9.334387       13.75734  
1 1 1 -4  21  33 o 52.448  1.9218  1502.50    109.173  1682.22    161.462  1351.13    148.179  55.269  2.6972  49.433  2.7788  5.835243       3.872600  
1 1 1 -4  21  34 o 58.227  3.1838  1898.05    200.028  0.0000     0.0000   1898.05    200.028  ?       ?       58.227  3.1838  0.000000       3.183778  
1 1 1 -4  21  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  22  1  o 484.652 11.433  127642.70  6001.72  117192.70  8487.14  138095.50  8488.28  463.445 16.908  503.367 15.569  -39.92239      22.98433  
1 1 1 -4  22  2  o 133.281 3.0315  9622.30    437.620  9422.38    638.939  9798.96    600.613  131.872 4.4734  134.486 4.1233  -2.614441      6.083839  
1 1 1 -4  22  3  o 439.904 7.4701  104932.40  3559.20  103258.40  5033.20  106606.80  5033.74  436.093 10.656  443.126 10.488  -7.032410      14.95157  
1 1 1 -4  22  4  o 393.362 6.6431  83870.68   2830.30  84830.17   4002.49  82911.04   4002.81  395.434 9.3451  390.928 9.4536  4.506622       13.29294  
1 1 1 -4  22  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  22  6  o 404.798 6.8117  88803.19   2986.51  88223.15   4223.21  89383.43   4223.91  403.327 9.6675  405.974 9.6061  -2.647308      13.62857  
1 1 1 -4  22  7  o 75.589  2.4563  3094.56    201.098  3226.25    284.319  2962.72    284.473  77.178  3.4013  73.958  3.5513  3.219872       4.917357  
1 1 1 -4  22  8  o 537.335 8.8914  156548.41  5174.67  156671.41  7318.06  156425.50  7318.13  537.225 12.577  536.802 12.587  0.4227295      17.79334  
1 1 1 -4  22  9  o 302.819 5.2822  49682.14   1732.47  48810.99   2449.88  50553.57   2450.27  300.082 7.5376  305.397 7.4076  -5.314331      10.56830  
1 1 1 -4  22  10 o 459.724 7.7730  114575.00  3870.39  111356.70  5473.98  117792.20  5473.14  452.970 11.157  465.903 10.846  -12.93286      15.56034  
1 1 1 -4  22  11 o 343.651 7.6286  64027.05   2839.44  65564.35   6621.15  63680.62   3143.14  346.453 17.704  342.675 8.4686  3.778168       19.62521  
1 1 1 -4  22  12 o 730.687 24.331  293072.69  19255.98 293072.69  19255.98 0.0000     0.0000   730.687 24.331  ?       ?       0.000000       24.33125  
1 1 1 -4  22  13 o 212.099 4.4207  24376.03   1015.55  22324.45   2395.45  24825.56   1121.30  202.390 10.969  214.034 4.8369  -11.64391      11.98776  
1 1 1 -4  22  14 o 232.953 4.5655  29410.12   1151.94  31608.46   2160.70  28537.18   1361.57  241.299 8.2674  229.432 5.4792  11.86670       9.918242  
1 1 1 -4  22  15 o 227.578 4.4815  28073.05   1104.65  29162.09   2073.28  27641.33   1305.37  231.702 8.2615  225.779 5.3380  5.922546       9.835996  
1 1 1 -4  22  16 o 215.893 4.2942  25266.73   1004.13  23296.79   2555.40  25626.43   1091.96  206.363 11.478  217.406 4.6373  -11.04350      12.37968  
1 1 1 -4  22  17 o 34.213  1.5116  634.009    56.014   650.968    58.477   445.330    195.055  34.668  1.5574  28.079  6.5361  6.589098       6.719065  
1 1 1 -4  22  18 o 361.069 6.5867  70823.76   2575.88  64736.82   7142.74  71733.73   2761.72  340.616 19.442  363.304 7.0184  -22.68808      20.66973  
1 1 1 -4  22  19 o 220.449 4.1865  26355.67   999.596  29385.59   1996.52  25342.09   1154.75  232.348 7.9335  216.108 4.9334  16.23932       9.342315  
1 1 1 -4  22  20 o 80.513  3.0578  3513.49    266.653  3564.10    520.260  3495.46    310.543  80.774  5.9894  80.294  3.5708  0.4799881      6.973119  
1 1 1 -4  22  21 o 256.820 5.0592  35816.36   1407.28  36767.18   3715.84  35657.14   1520.55  257.795 13.354  256.188 5.4799  1.606781       14.43442  
1 1 1 -4  22  22 o 84.230  2.7754  3845.85    253.196  4138.06    556.497  3769.57    284.330  87.019  5.9399  83.378  3.1485  3.641075       6.722739  
1 1 1 -4  22  23 o 204.861 4.0007  22787.60   887.690  22285.27   1768.25  22956.85   1026.40  201.776 8.0910  205.533 4.6107  -3.756058      9.312505  
1 1 1 -4  22  24 o 119.187 3.0981  7709.85    399.936  6904.15    789.472  7988.00    463.861  112.184 6.5255  121.279 3.5313  -9.094299      7.419728  
1 1 1 -4  22  25 o 215.928 4.4199  25408.00   1033.69  25684.74   2620.04  25356.98   1124.94  213.125 11.391  215.585 4.8177  -2.460190      12.36830  
1 1 1 -4  22  26 o 85.561  2.7399  3977.67    253.912  5100.55    622.008  3753.14    278.141  96.106  6.0056  83.073  3.0913  13.03279       6.754506  
1 1 1 -4  22  27 o 127.353 3.3062  8836.51    456.045  9451.33    917.134  8634.56    525.635  130.593 6.4840  125.752 3.8592  4.841736       7.545563  
1 1 1 -4  22  28 o 35.903  1.3258  698.945    51.555   756.229    73.462   643.354    72.369   37.325  1.8172  34.366  1.9523  2.959278       2.667133  
1 1 1 -4  22  29 o 99.583  3.3085  5420.68    356.848  5812.16    716.476  5291.53    411.522  101.564 6.5480  98.222  3.8682  3.342148       7.605252  
1 1 1 -4  22  30 o 46.461  4.9102  1211.76    243.346  879.126    496.976  1316.67    279.093  37.283  11.316  48.266  5.4332  -10.98333      12.55268  
1 1 1 -4  22  31 o 79.082  3.5930  3445.15    307.755  4009.90    622.513  3262.48    354.047  83.159  6.9759  76.574  4.2861  6.585304       8.187410  
1 1 1 -4  22  32 o 52.919  4.2726  1571.23    242.807  1203.59    522.507  1672.48    274.213  42.167  11.237  54.414  4.6988  -12.24720      12.18013  
1 1 1 -4  22  33 o 28.720  1.0912  447.954    33.944   526.709    49.450   377.779    46.679   31.106  1.4677  26.276  1.6485  4.830513       2.207239  
1 1 1 -4  22  34 o 23.925  9.9920  317.310    432.007  0.0000     0.0000   317.310    432.007  ?       ?       23.925  9.9920  0.000000       9.991961  
1 1 1 -4  22  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  1  o 416.649 8.3458  94163.71   3766.27  100677.60  6525.95  90910.62   4611.81  430.189 14.006  409.206 10.405  20.98322       17.44823  
1 1 1 -4  23  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  3  o 136.087 2.8538  10031.04   420.636  10380.96   594.590  9680.46    595.148  138.430 3.9657  133.676 4.1106  4.753754       5.711685  
1 1 1 -4  23  4  o 167.689 3.2033  15231.06   581.797  15481.54   822.569  14980.32   823.002  169.047 4.4926  166.287 4.5695  2.760056       6.408103  
1 1 1 -4  23  5  o 288.823 5.1387  45194.66   1607.53  46491.11   2273.26  43897.92   2273.52  292.878 7.1663  284.586 7.3759  8.292267       10.28393  
1 1 1 -4  23  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  9  o 275.787 5.5919  41210.66   1670.35  41201.96   2046.16  41228.04   2891.97  275.723 6.8517  275.705 9.6846  0.1809692E-01  11.86323  
1 1 1 -4  23  10 o 133.597 3.1056  9667.35    449.385  9648.00    640.575  9686.11    630.594  133.451 4.4318  133.715 4.3541  -0.2641602     6.212791  
1 1 1 -4  23  11 o 78.024  3.1574  3297.51    266.831  4030.28    472.629  2954.67    323.280  86.095  5.0911  73.740  4.0633  12.35461       6.513816  
1 1 1 -4  23  12 o 372.188 9.0544  75166.16   3649.99  75166.16   3649.99  0.0000     0.0000   372.188 9.0544  ?       ?       0.000000       9.054387  
1 1 1 -4  23  13 o 352.237 6.0878  67265.39   2322.55  69918.08   4642.67  66379.93   2682.31  358.547 11.955  349.842 7.0789  8.704895       13.89367  
1 1 1 -4  23  14 o 557.615 9.2658  168923.09  5596.10  157496.59  11190.44 172733.59  6462.16  535.601 19.290  563.596 10.586  -27.99585      22.00404  
1 1 1 -4  23  15 o 596.058 9.9203  193281.80  6404.45  192897.80  12807.81 193409.80  7395.43  591.374 19.996  595.804 11.460  -4.430176      23.04722  
1 1 1 -4  23  16 f 203.352 4.1275  22415.34   909.086  21490.63   2279.38  22590.26   991.343  198.307 10.651  204.127 4.4839  -5.819946      11.55658  
1 1 1 -4  23  17 o 178.619 3.5875  17292.42   694.045  15836.43   1378.51  17786.82   803.284  170.700 7.4560  181.132 4.0945  -10.43169      8.506278  
1 1 1 -4  23  18 o 214.758 4.0893  25007.57   951.184  24551.80   1894.94  25161.09   1099.77  212.392 8.2374  215.372 4.7146  -2.979691      9.491115  
1 1 1 -4  23  19 o 218.533 4.7603  25910.87   1126.74  26605.87   2685.43  25762.37   1241.28  220.216 11.297  217.861 5.2604  2.355728       12.46160  
1 1 1 -4  23  20 o 115.916 3.0830  7283.00    387.073  7641.91    750.866  7153.11    451.720  118.604 5.8451  114.859 3.6311  3.745163       6.881147  
1 1 1 -4  23  21 o 189.759 3.7762  19530.80   776.112  18493.30   1545.10  19880.91   897.560  184.193 7.7449  191.406 4.3295  -7.213211      8.872879  
1 1 1 -4  23  22 o 124.141 3.1609  8356.68    425.001  6908.87    838.177  8857.75    493.090  112.389 6.9192  127.786 3.5627  -15.39618      7.782536  
1 1 1 -4  23  23 o 208.246 4.0609  23550.63   915.949  26593.91   1821.27  22520.30   1059.72  220.519 7.6253  203.526 4.8073  16.99274       9.014182  
1 1 1 -4  23  24 o 37.131  1.9100  749.266    76.555   1036.81    358.072  735.493    78.367   42.762  8.0258  36.783  1.9743  5.979439       8.265096  
1 1 1 -4  23  25 o 113.987 3.0884  7058.64    381.291  6894.01    748.524  7116.33    443.085  111.951 6.1973  114.390 3.5763  -2.438889      7.155154  
1 1 1 -4  23  26 o 50.887  2.4387  1406.10    134.409  1450.40    491.059  1402.51    139.746  50.027  9.4080  50.816  2.5390  -0.7885513     9.744581  
1 1 1 -4  23  27 o 108.091 3.3002  6366.15    386.367  7169.25    765.572  6091.70    447.542  113.656 6.2430  105.605 3.9127  8.051262       7.367769  
1 1 1 -4  23  28 o 129.861 3.3862  9207.85    476.273  9427.71    940.840  9132.09    552.263  129.698 6.7205  129.136 3.9485  0.5620270      7.794615  
1 1 1 -4  23  29 o 56.627  2.3815  1745.19    146.066  1819.30    169.340  1529.81    288.698  57.776  2.7061  52.307  5.1632  5.469006       5.829407  
1 1 1 -4  23  30 o 42.410  2.3513  982.902    107.582  1291.31    490.777  967.334    110.264  45.564  10.199  42.058  2.4309  3.505432       10.48473  
1 1 1 -4  23  31 o 60.613  2.6224  2007.99    172.159  2337.50    543.532  1971.25    181.505  62.535  8.2242  60.019  2.7921  2.515682       8.685273  
1 1 1 -4  23  32 o 14.500  6.5650  -91.3323   221.590  -243.5714  449.520  -42.4632   254.685  19.342  8.9735  16.339  7.2429  3.002728       11.53179  
1 1 1 -4  23  33 o 41.005  1.4307  915.190    63.540   947.911    65.179   288.792    285.180  41.730  1.4421  22.569  8.5276  19.16114       8.648629  
1 1 1 -4  23  34 o 43.328  9.5434  1328.74    435.754  0.0000     0.0000   1328.74    435.754  ?       ?       43.328  9.5434  0.000000       9.543358  
1 1 1 -4  23  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  24  1  o 597.974 19.938  195219.00  12913.33 195219.00  12913.33 0.0000     0.0000   597.974 19.938  ?       ?       0.000000       19.93821  
1 1 1 -4  24  2  o 343.488 5.7904  63936.43   2154.24  65314.88   3046.68  62558.22   3046.42  347.062 8.1049  339.650 8.2811  7.412537       11.58735  
1 1 1 -4  24  3  o 564.408 18.835  173620.80  11514.06 173620.80  11514.06 0.0000     0.0000   564.408 18.835  ?       ?       0.000000       18.83498  
1 1 1 -4  24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  24  5  o 364.881 6.2348  72143.70   2464.03  70649.60   3484.33  73638.37   3485.00  360.972 8.9120  368.537 8.7308  -7.565094      12.47599  
1 1 1 -4  24  6  o 246.638 4.3854  32952.08   1171.49  32799.65   1656.31  33104.66   1657.17  246.032 6.2155  247.174 6.1900  -1.141891      8.772082  
1 1 1 -4  24  7  o 324.915 5.6753  57198.70   1997.22  57481.55   2824.15  56915.71   2824.84  325.640 8.0072  324.032 8.0489  1.608337       11.35342  
1 1 1 -4  24  8  o 572.083 9.4383  177484.91  5848.19  178235.20  8270.57  176734.59  8270.60  572.896 13.329  570.472 13.385  2.423584       18.88983  
1 1 1 -4  24  9  o 252.245 5.7846  34476.92   1580.40  35245.37   2041.84  33328.63   2495.99  254.996 7.3930  247.900 9.2960  7.095917       11.87734  
1 1 1 -4  24  10 o 298.824 5.6207  48386.21   1819.17  48756.31   2396.18  47882.66   2795.02  299.902 7.3768  297.146 8.6845  2.755951       11.39464  
1 1 1 -4  24  11 o 669.773 15.649  244170.70  11352.08 0.0000     0.0000   244170.70  11352.08 ?       ?       669.773 15.649  0.000000       15.64867  
1 1 1 -4  24  12 o 126.384 4.3394  8654.36    594.015  8654.36    594.015  0.0000     0.0000   126.384 4.3394  ?       ?       0.000000       4.339441  
1 1 1 -4  24  13 o 270.983 4.8579  39796.40   1425.81  41152.34   2849.49  39343.52   1646.80  275.269 9.5574  269.402 5.6438  5.867676       11.09936  
1 1 1 -4  24  14 o 171.908 3.6806  16012.44   685.298  14427.23   1303.09  16618.48   805.717  163.048 7.3789  175.115 4.2480  -12.06776      8.514319  
1 1 1 -4  24  15 o 314.421 5.5113  53616.07   1876.88  51400.27   3751.27  54355.97   2167.72  307.144 11.276  316.510 6.3233  -9.366272      12.92824  
1 1 1 -4  24  16 o 86.380  2.9439  4042.77    275.431  4616.90    534.002  3834.67    321.495  92.101  5.3765  84.118  3.5287  7.982758       6.431034  
1 1 1 -4  24  17 o 163.580 3.4730  14502.52   615.328  14705.62   1221.20  14433.41   712.367  164.532 6.8528  163.167 4.0309  1.365356       7.950385  
1 1 1 -4  24  18 o 196.573 3.9935  20951.10   850.254  21351.76   1601.35  20793.80   1003.37  198.149 7.4614  195.786 4.7316  2.362823       8.835226  
1 1 1 -4  24  19 o 133.754 3.1757  9696.62    460.066  8798.97    904.661  10009.75   534.319  127.066 6.5960  135.879 3.6306  -8.812599      7.529174  
1 1 1 -4  24  20 o 98.478  3.0091  5256.38    320.956  4574.44    630.026  5495.38    372.983  91.510  6.3967  100.679 3.4204  -9.168968      7.253787  
1 1 1 -4  24  21 o 284.226 5.4781  43895.73   1686.41  45314.18   4533.00  43667.87   1816.82  285.483 14.710  283.408 5.9188  2.074493       15.85615  
1 1 1 -4  24  22 f 30.108  5.9189  510.272    186.137  539.456    353.487  499.075    218.951  31.313  9.5524  29.672  6.9371  1.641283       11.80552  
1 1 1 -4  24  23 o 185.397 3.7417  18659.96   751.358  17047.96   1494.22  19205.49   869.247  176.484 7.8170  188.019 4.2685  -11.53500      8.906496  
1 1 1 -4  24  24 o 52.769  1.7622  1509.11    100.717  1740.88    150.904  1322.94    135.249  56.656  2.4592  49.321  2.5404  7.334419       3.535727  
1 1 1 -4  24  25 o 147.747 3.3601  11867.60   537.703  11821.23   1057.86  11883.75   624.377  146.628 6.6610  147.748 3.9017  -1.119522      7.719630  
1 1 1 -4  24  26 f 29.274  1.6224  466.091    51.240   0.0000     0.0000   466.091    51.240   ?       ?       29.274  1.6224  0.000000       1.622386  
1 1 1 -4  24  27 o 20.824  7.3791  213.475    208.360  406.883    432.698  155.089    237.739  28.859  10.580  20.068  7.7361  8.790224       13.10649  
1 1 1 -4  24  28 o 49.442  4.6714  1356.15    247.193  1616.35    491.906  1268.24    285.915  52.506  8.9720  47.529  5.6656  4.976692       10.61110  
1 1 1 -4  24  29 o 76.348  2.8572  3179.74    236.267  3379.70    323.081  2949.87    346.400  78.494  3.8002  73.050  4.3986  5.443741       5.812835  
1 1 1 -4  24  30 o 34.702  2.3017  658.815    86.021   1189.74    477.995  641.045    87.449   43.626  10.284  34.217  2.3743  9.408283       10.55447  
1 1 1 -4  24  31 o 42.069  5.6246  1014.58    249.870  1138.70    492.962  971.660    289.865  41.901  10.795  40.644  6.8266  1.257080       12.77276  
1 1 1 -4  24  32 o 32.154  7.1823  629.195    243.821  746.799    481.556  588.653    282.742  33.430  11.246  30.650  8.3087  2.779282       13.98265  
1 1 1 -4  24  33 o 22.366  1.4597  273.521    35.168   276.202    35.436   98.327     286.434  22.476  1.4637  18.943  8.0363  3.532368       8.168509  
1 1 1 -4  24  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  24  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  25  1  o 266.846 5.5118  38583.51   1593.04  39458.88   1952.11  36838.40   2756.27  269.822 6.6797  260.589 9.7655  9.233063       11.83148  
1 1 1 -4  25  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  25  3  o 511.569 8.2281  141883.00  4559.03  140475.91  6447.20  143290.20  6447.68  508.737 11.701  513.819 11.586  -5.082062      16.46609  
1 1 1 -4  25  4  o 458.388 8.2001  113908.20  4071.20  111280.90  6308.06  115783.80  5329.87  452.730 12.864  461.983 10.652  -9.252930      16.70179  
1 1 1 -4  25  5  o 110.257 2.6745  6584.13    319.389  6492.49    450.988  6676.34    452.384  109.481 3.8033  111.021 3.7621  -1.539505      5.349605  
1 1 1 -4  25  6  o 458.711 7.7066  114049.50  3828.87  115228.70  5414.59  112870.00  5415.10  460.881 10.847  456.131 10.961  4.749634       15.42067  
1 1 1 -4  25  7  o 884.395 20.602  426284.91  19734.90 419916.31  27909.98 432653.00  27908.75 874.868 29.454  888.209 29.010  -13.34015      41.34195  
1 1 1 -4  25  8  o 84.581  2.5624  3874.65    234.739  3989.21    331.778  3759.83    332.163  85.818  3.5694  83.314  3.6810  2.504303       5.127420  
1 1 1 -4  25  9  o 542.146 9.8163  159435.09  5764.14  161075.70  7535.48  157121.30  8949.00  544.619 12.775  537.559 15.370  7.060059       19.98583  
1 1 1 -4  25  10 o 278.608 4.9393  42055.79   1490.50  42573.41   2109.02  41539.27   2106.76  280.254 6.9480  276.827 7.0265  3.427551       9.881569  
1 1 1 -4  25  11 o 129.950 6.1832  9152.73    870.281  0.0000     0.0000   9152.73    870.281  ?       ?       129.950 6.1832  0.000000       6.183212  
1 1 1 -4  25  12 o 337.789 8.2302  61903.92   3011.12  61903.92   3011.12  0.0000     0.0000   337.789 8.2302  ?       ?       0.000000       8.230243  
1 1 1 -4  25  13 o 157.412 3.8739  13425.38   660.478  12989.86   1137.90  13646.67   811.093  154.759 6.7886  158.685 4.7192  -3.925873      8.267708  
1 1 1 -4  25  14 o 412.983 6.9911  92547.37   3127.14  90437.64   6251.92  93251.32   3611.37  406.998 14.182  414.418 8.0457  -7.420013      16.30566  
1 1 1 -4  25  15 o 94.672  2.7640  4855.62    283.420  4881.02    502.973  4843.79    343.073  94.753  4.9179  94.548  3.3502  0.2050018      5.950551  
1 1 1 -4  25  16 o 388.722 6.6470  82039.39   2798.56  79852.88   5594.08  82769.28   3232.08  381.987 13.521  390.287 7.6459  -8.299835      15.53313  
1 1 1 -4  25  17 o 169.036 3.4805  15486.53   637.224  14124.65   1268.94  15945.77   736.871  161.213 7.2673  171.504 3.9669  -10.29076      8.279467  
1 1 1 -4  25  18 o 193.626 3.8031  20325.56   797.571  22209.99   1592.09  19694.20   921.545  202.109 7.2730  190.556 4.4650  11.55377       8.534208  
1 1 1 -4  25  19 o 170.028 3.9087  15676.15   719.822  16797.68   1606.47  15394.41   805.175  175.590 8.4470  168.463 4.4128  7.126770       9.530196  
1 1 1 -4  25  20 o 195.533 3.8572  20734.72   816.888  20193.90   1628.28  20916.62   944.326  192.544 7.8078  196.344 4.4405  -3.799942      8.982225  
1 1 1 -4  25  21 o 121.027 3.1711  7941.39    415.680  7969.24    810.531  7931.45    484.205  120.886 6.2114  120.926 3.6969  -0.3976440E-01 7.228343  
1 1 1 -4  25  22 o 165.119 3.5522  14790.92   635.283  14826.72   1255.24  14778.59   736.584  164.899 7.0281  165.000 4.1216  -0.1011047     8.147493  
1 1 1 -4  25  23 o 106.755 3.0404  6182.20    351.556  6203.04    635.401  6173.00    422.039  106.589 5.5228  106.636 3.6541  -0.4698944E-01 6.622209  
1 1 1 -4  25  24 o 39.709  4.4734  869.003    189.048  846.725    358.515  877.583    222.495  38.420  8.8040  39.771  5.2969  -1.350285      10.27464  
1 1 1 -4  25  25 o 22.582  6.5389  286.294    169.126  48.295     316.958  381.030    199.973  20.395  8.5418  25.866  6.9774  -5.470955      11.02930  
1 1 1 -4  25  26 f 45.307  4.5034  1133.05    218.061  857.326    468.425  1209.33    246.386  38.186  10.828  46.734  4.9426  -8.547523      11.90240  
1 1 1 -4  25  27 f 31.485  6.5266  569.477    215.262  847.087    441.746  483.027    246.512  37.740  10.450  28.860  7.7308  8.879425       12.99867  
1 1 1 -4  25  28 o 17.011  6.9921  61.007     206.923  178.962    430.111  25.485     236.033  24.816  10.126  17.286  7.3119  7.529949       12.49034  
1 1 1 -4  25  29 o 78.476  2.8821  3360.34    244.971  3193.70    349.181  3521.86    343.765  76.058  4.2558  80.074  3.9637  -4.015907      5.815755  
1 1 1 -4  25  30 o 86.172  3.5154  4077.39    328.106  3986.57    644.685  4109.13    381.163  83.121  7.2330  86.302  4.0778  -3.180099      8.303239  
1 1 1 -4  25  31 o 24.874  7.7702  365.505    232.297  487.785    462.023  324.137    268.734  29.330  10.900  24.086  8.3924  5.243933       13.75666  
1 1 1 -4  25  32 o 47.888  5.2563  1315.27    268.153  1702.39    513.584  1170.19    314.413  51.604  9.5403  44.356  6.7580  7.247322       11.69135  
1 1 1 -4  25  33 f 39.075  2.0498  838.166    86.450   841.942    88.227   747.253    432.905  39.153  2.0880  31.984  10.663  7.169500       10.86556  
1 1 1 -4  25  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  25  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  26  2  o 406.847 7.9620  89730.44   3508.52  90561.80   4297.82  88069.52   6074.73  408.628 9.7107  402.648 13.929  5.979797       16.98012  
1 1 1 -4  26  3  o 734.206 24.329  294563.91  19347.21 0.0000     0.0000   294563.91  19347.21 ?       ?       734.206 24.329  0.000000       24.32933  
1 1 1 -4  26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  26  5  o 490.709 8.2920  130532.60  4407.09  129493.80  6232.23  131571.59  6232.89  488.507 11.779  492.418 11.687  -3.911224      16.59266  
1 1 1 -4  26  6  o 759.944 17.717  314196.09  14583.23 316543.59  20623.48 311848.41  20624.11 761.044 25.020  755.327 25.210  5.717773       35.51790  
1 1 1 -4  26  7  o 143.265 3.1072  11116.96   482.150  10673.06   680.981  11563.16   682.747  140.365 4.4793  146.102 4.3145  -5.737411      6.219247  
1 1 1 -4  26  8  o 370.514 6.3581  74393.27   2551.52  76964.35   3608.57  71822.68   3608.23  376.747 8.8433  363.929 9.1539  12.81839       12.72786  
1 1 1 -4  26  9  o 552.935 9.1973  165817.91  5508.16  164267.09  7789.76  167368.59  7789.67  549.929 13.078  555.111 12.956  -5.182678      18.40910  
1 1 1 -4  26  10 o 610.763 11.625  202545.50  7690.41  193764.09  13318.18 206938.20  9419.50  595.703 20.642  616.971 14.096  -21.26880      24.99548  
1 1 1 -4  26  11 o 314.840 11.034  53830.28   3762.78  0.0000     0.0000   53830.28   3762.78  ?       ?       314.840 11.034  0.000000       11.03442  
1 1 1 -4  26  12 o 112.440 3.4301  6848.98    417.730  6858.29    517.066  6831.49    708.809  112.507 4.2432  112.108 5.8578  0.3984985      7.233160  
1 1 1 -4  26  13 o 431.565 7.3087  101047.00  3416.28  101236.70  4831.55  100857.40  4831.16  431.577 10.336  430.765 10.355  0.8122253      14.63069  
1 1 1 -4  26  14 o 264.351 4.7557  37880.72   1361.66  38311.62   2718.98  37736.47   1573.14  265.476 9.4560  263.805 5.5057  1.671570       10.94212  
1 1 1 -4  26  15 o 41.356  1.7511  926.362    78.435   970.769    86.281   714.983    188.245  42.335  1.8817  35.974  4.9634  6.360466       5.308147  
1 1 1 -4  26  16 o 149.403 3.2883  12095.87   532.104  12569.55   1054.36  11934.00   616.351  152.166 6.3974  148.383 3.8351  3.782700       7.458839  
1 1 1 -4  26  17 o 334.352 6.2645  60703.28   2268.62  61124.80   6246.81  60639.24   2434.86  332.101 17.428  334.107 6.7285  -2.006378      18.68140  
1 1 1 -4  26  18 o 159.604 3.3971  13807.35   587.247  13483.47   1169.34  13916.58   679.096  157.507 6.8544  160.210 3.9135  -2.703903      7.892962  
1 1 1 -4  26  19 o 159.502 3.4095  13791.32   589.018  12954.24   1171.63  14074.44   681.385  154.339 7.0088  161.106 3.9049  -6.767365      8.023225  
1 1 1 -4  26  20 o 202.850 3.9522  22317.62   868.333  22089.15   1726.78  22394.95   1004.59  201.349 7.9180  203.149 4.5657  -1.800522      9.140043  
1 1 1 -4  26  21 o 81.587  2.7173  3607.90    240.117  3053.75    532.072  3749.62    269.076  74.611  6.6539  83.167  2.9871  -8.555756      7.293658  
1 1 1 -4  26  22 o 185.926 3.9800  18762.93   801.485  19077.71   1943.43  18698.42   879.786  186.214 9.6690  185.563 4.3774  0.6516724      10.61376  
1 1 1 -4  26  23 o 159.863 3.4518  13871.13   597.674  12413.52   1185.34  14368.05   692.094  150.652 7.2644  162.647 3.9287  -11.99530      8.258664  
1 1 1 -4  26  24 o 145.075 3.3122  11431.06   520.453  11418.86   1031.86  11435.22   602.739  144.378 6.5986  145.029 3.8371  -0.6519928     7.633124  
1 1 1 -4  26  25 o 40.981  2.3166  914.190    102.405  843.129    113.924  1213.22    233.699  39.313  2.6917  46.918  4.6605  -7.605026      5.381938  
1 1 1 -4  26  26 o 101.274 3.1217  5580.77    342.424  6597.49    714.789  5277.93    390.101  109.242 6.0650  98.401  3.6602  10.84071       7.083849  
1 1 1 -4  26  27 o 44.781  1.6214  1087.72    78.640   1119.38    114.422  1059.38    108.261  45.330  2.3385  44.102  2.2742  1.227711       3.261973  
1 1 1 -4  26  28 o 68.382  3.6668  2564.80    270.589  2773.64    551.172  2498.49    310.595  69.812  7.4022  67.334  4.2810  2.477707       8.551033  
1 1 1 -4  26  29 o 69.506  2.7496  2634.62    207.000  2269.20    558.851  2692.73    222.851  62.219  8.5164  70.236  2.9295  -8.016506      9.006124  
1 1 1 -4  26  30 o 56.005  4.2649  1743.34    256.764  2313.87    521.783  1561.05    294.946  62.814  7.8402  52.632  5.2438  10.18168       9.432158  
1 1 1 -4  26  31 o 25.276  7.1078  381.253    202.726  -62.5505   463.733  486.107    225.406  21.721  9.6922  28.414  7.2888  -6.692663      12.12706  
1 1 1 -4  26  32 o 26.370  1.8136  380.580    51.483   234.477    469.481  382.358    51.795   24.863  10.403  26.431  1.8204  -1.567406      10.56096  
1 1 1 -4  26  33 o 54.767  2.9359  1666.51    173.518  0.0000     0.0000   1666.51    173.518  ?       ?       54.767  2.9359  0.000000       2.935881  
1 1 1 -4  26  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  26  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  27  1  o 193.923 3.6039  20369.58   756.951  20426.29   1070.82  20312.93   1070.16  194.173 5.0916  193.633 5.1027  0.5397186      7.208473  
1 1 1 -4  27  2  o 644.527 13.583  225587.80  9482.20  221746.41  12391.52 231015.20  14729.13 638.368 17.922  651.017 20.889  -12.64929      27.52339  
1 1 1 -4  27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  27  4  o 436.181 8.3532  103135.60  3946.28  101911.30  6833.31  103748.30  4833.84  433.142 14.566  437.367 10.204  -4.224670      17.78435  
1 1 1 -4  27  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  27  7  o 199.692 3.7770  21600.25   816.911  21407.24   1154.64  21793.69   1155.93  198.775 5.3631  200.562 5.3212  -1.786896      7.555014  
1 1 1 -4  27  8  f 136.991 3.0521  10164.58   452.851  10982.09   640.640  9348.15    640.216  142.384 4.1542  131.362 4.4997  11.02170       6.124103  
1 1 1 -4  27  9  o 288.810 5.0882  45192.50   1591.63  45402.16   2251.48  44983.05   2250.33  289.412 7.1826  288.072 7.2123  1.339996       10.17877  
1 1 1 -4  27  10 o 106.532 3.2305  6147.45    372.754  6226.88    635.537  6105.80    460.227  107.056 5.4996  106.165 4.0024  0.8911133      6.801797  
1 1 1 -4  27  11 o 292.996 7.3433  46551.08   2330.36  46561.19   3299.45  46541.02   3291.82  292.835 10.403  292.773 10.381  0.6185913E-01  14.69628  
1 1 1 -4  27  12 o 612.449 11.753  203960.09  7795.99  203913.09  9548.26  204054.09  13502.61 611.755 14.410  610.093 20.434  1.661743       25.00411  
1 1 1 -4  27  13 o 169.911 3.5991  15641.77   662.356  15395.32   987.235  15843.53   893.229  168.518 5.4088  170.972 4.8236  -2.453796      7.247224  
1 1 1 -4  27  14 f 277.539 4.9246  41759.42   1480.35  40808.05   2956.72  42077.68   1710.12  273.906 9.9664  278.547 5.6684  -4.640076      11.46558  
1 1 1 -4  27  15 o 394.907 7.9284  84735.31   3391.18  84285.30   8686.78  84816.22   3683.45  389.645 20.657  394.979 8.6102  -5.333649      22.37988  
1 1 1 -4  27  16 o 144.354 3.2094  11291.83   501.794  11111.10   993.500  11353.73   581.402  143.061 6.4118  144.734 3.7088  -1.672806      7.407174  
1 1 1 -4  27  17 o 197.107 3.8608  21061.66   824.231  21145.29   1644.49  21033.60   952.508  197.195 7.6996  196.941 4.4654  0.2534943      8.900748  
1 1 1 -4  27  18 o 118.961 3.0343  7669.44    390.959  7406.83    773.875  7759.43    453.021  116.616 6.1486  119.643 3.4959  -3.026955      7.072987  
1 1 1 -4  27  19 o 161.424 3.4275  14126.00   599.254  13238.17   1192.07  14426.23   693.212  156.013 7.0546  163.105 3.9240  -7.092270      8.072475  
1 1 1 -4  27  20 o 154.453 3.3840  12933.87   566.104  12888.09   1125.33  12949.38   655.020  153.919 6.7502  154.516 3.9139  -0.5973358     7.802820  
1 1 1 -4  27  21 o 124.228 3.1563  8367.27    424.690  7454.59    834.838  8685.92    493.287  116.842 6.6240  126.549 3.5989  -9.707497      7.538572  
1 1 1 -4  27  22 o 171.073 3.5974  15879.05   666.559  15656.39   1318.59  15955.48   772.534  169.390 7.1871  171.429 4.1607  -2.038986      8.304513  
1 1 1 -4  27  23 o 144.354 3.3002  11308.96   515.981  10352.36   1013.85  11643.34   599.416  137.638 6.8009  146.424 3.7796  -8.785675      7.780588  
1 1 1 -4  27  24 o 101.392 2.9646  5580.76    325.561  5324.98    572.501  5703.00    395.785  98.626  5.3797  102.441 3.5671  -3.815285      6.454890  
1 1 1 -4  27  25 o 112.173 3.1241  6839.67    379.562  6663.41    791.882  6892.24    432.479  109.795 6.6909  112.543 3.5480  -2.747650      7.573397  
1 1 1 -4  27  26 o 119.996 3.1541  7836.43    409.937  8534.09    842.733  7620.18    469.189  124.167 6.2868  118.227 3.6641  5.940521       7.276623  
1 1 1 -4  27  27 o 59.144  3.8643  1919.68    246.187  2034.09    508.535  1884.66    281.354  59.626  8.0827  58.468  4.4769  1.157490       9.239743  
1 1 1 -4  27  28 o 50.862  4.5402  1433.58    247.488  1500.39    495.404  1411.36    285.692  50.287  9.4424  50.248  5.3308  0.3860092E-01  10.84325  
1 1 1 -4  27  29 o 102.817 3.3019  5783.90    367.703  5188.71    739.371  5979.48    423.832  95.337  7.2137  104.388 3.7486  -9.050934      8.129578  
1 1 1 -4  27  30 o 85.978  2.9776  4044.56    277.287  3745.38    419.267  4277.17    369.682  81.970  4.7427  88.104  3.8740  -6.134491      6.123838  
1 1 1 -4  27  31 o 37.717  1.7125  773.539    69.956   778.763    471.582  773.421    70.739   34.714  11.100  37.712  1.7318  -2.998497      11.23421  
1 1 1 -4  27  32 o 26.067  9.0075  413.360    309.260  401.474    470.316  422.415    410.484  27.179  10.761  26.979  10.222  0.1999588      14.84203  
1 1 1 -4  27  33 o 23.946  9.8262  307.556    407.820  0.0000     0.0000   307.556    407.820  ?       ?       23.946  9.8262  0.000000       9.826182  
1 1 1 -4  27  34 o 20.896  9.0910  146.263    384.422  0.0000     0.0000   146.263    384.422  ?       ?       20.896  9.0910  0.000000       9.091048  
1 1 1 -4  27  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  28  2  o 300.862 5.3694  49040.62   1749.69  47371.57   2474.49  50709.52   2474.38  295.633 7.7279  305.880 7.4687  -10.24695      10.74720  
1 1 1 -4  28  3  o 692.711 22.961  261817.80  17227.32 0.0000     0.0000   261817.80  17227.32 ?       ?       692.711 22.961  0.000000       22.96125  
1 1 1 -4  28  4  o 552.276 8.9338  165367.30  5343.96  170292.41  7557.50  160442.30  7557.49  560.138 12.457  543.659 12.835  16.47827       17.88582  
1 1 1 -4  28  5  f 393.764 6.7689  84024.08   2886.84  84615.70   4082.36  83432.30   4082.86  395.017 9.5417  392.241 9.6104  2.775726       13.54265  
1 1 1 -4  28  6  o 361.454 6.1688  70794.07   2415.04  70860.07   3415.00  70728.05   3415.76  361.518 8.7215  361.180 8.7316  0.3374329      12.34119  
1 1 1 -4  28  7  o 779.323 25.824  332405.91  21797.76 332405.91  21797.76 0.0000     0.0000   779.323 25.824  ?       ?       0.000000       25.82403  
1 1 1 -4  28  8  o 511.816 8.5114  142038.00  4718.33  142783.50  6672.45  141292.41  6672.99  512.844 12.012  510.153 12.077  2.691589       17.03365  
1 1 1 -4  28  9  o 400.551 6.8234  86962.46   2960.27  89592.34   4186.83  84333.54   4186.07  406.397 9.5119  394.269 9.8027  12.12808       13.65898  
1 1 1 -4  28  10 o 473.644 13.214  121941.80  6778.91  118929.60  12407.65 123223.50  8093.67  464.980 24.726  475.763 15.707  -10.78296      29.29265  
1 1 1 -4  28  11 o 633.680 14.891  218700.00  10220.34 211916.30  14454.19 225483.00  14453.29 621.880 21.459  641.706 20.795  -19.82617      29.88210  
1 1 1 -4  28  12 o 412.540 6.9870  92305.66   3121.94  91729.63   4415.96  92881.25   4414.22  410.935 9.9216  413.515 9.8558  -2.579773      13.98482  
1 1 1 -4  28  13 o 475.418 8.7451  122756.40  4503.11  120084.40  6983.10  124658.50  5891.80  469.225 13.740  478.613 11.366  -9.388153      17.83181  
1 1 1 -4  28  14 o 166.034 3.9994  14940.19   719.214  14454.75   1239.94  15186.33   882.916  163.189 7.0152  167.367 4.8706  -4.177017      8.540210  
1 1 1 -4  28  15 o 82.770  2.8377  3711.72    254.394  3134.09    499.233  3914.30    295.659  75.750  6.1376  84.994  3.2117  -9.243958      6.927170  
1 1 1 -4  28  16 o 145.474 3.4567  11469.29   544.655  10912.38   1176.90  11621.08   614.410  141.482 7.7092  146.420 3.8743  -4.938278      8.627977  
1 1 1 -4  28  17 o 425.920 7.2266  98605.28   3333.74  95999.10   6665.49  99474.70   3849.85  417.833 14.729  427.539 8.3138  -9.706146      16.91295  
1 1 1 -4  28  18 o 161.959 3.4595  14218.66   606.860  13959.91   1203.48  14306.89   702.746  160.251 6.9338  162.435 3.9944  -2.184387      8.002002  
1 1 1 -4  28  19 o 324.773 6.1476  57310.58   2162.50  57562.55   5928.50  57271.91   2322.52  321.519 17.086  324.580 6.6064  -3.060822      18.31832  
1 1 1 -4  28  20 o 109.832 3.0382  6538.99    361.422  7254.19    713.508  6292.15    419.178  115.546 5.7013  107.719 3.5928  7.826942       6.738914  
1 1 1 -4  28  21 o 94.555  2.9069  4846.73    297.705  4339.01    612.968  5003.46    340.569  89.067  6.3967  96.059  3.2734  -6.991943      7.185568  
1 1 1 -4  28  22 o 190.072 3.7917  19607.62   780.598  19556.25   1554.59  19624.94   902.640  189.206 7.5860  190.087 4.3842  -0.8809204     8.761751  
1 1 1 -4  28  23 o 44.390  1.7303  1067.76    83.191   1140.63    89.739   622.435    221.842  45.878  1.8059  33.214  6.3988  12.66455       6.648773  
1 1 1 -4  28  24 o 97.230  3.0101  5132.95    316.999  4406.65    619.835  5390.20    368.892  89.453  6.4406  99.600  3.4196  -10.14620      7.292084  
1 1 1 -4  28  25 o 121.498 3.1735  8026.36    417.615  8998.04    865.711  7731.67    476.755  127.909 6.2489  119.162 3.6939  8.746567       7.259023  
1 1 1 -4  28  26 o 99.289  2.9216  5361.98    314.189  5974.52    550.257  5065.68    382.710  104.406 4.8660  96.387  3.6659  8.019791       6.092333  
1 1 1 -4  28  27 o 21.964  2.0686  264.255    48.630   1296.20    439.728  251.478    48.930   47.068  8.9527  21.413  2.1384  25.65560       9.204538  
1 1 1 -4  28  28 o 50.261  4.4137  1398.78    237.839  1885.11    487.606  1246.95    272.447  57.086  8.1147  47.160  5.4331  9.925495       9.765601  
1 1 1 -4  28  29 o 104.179 3.3515  5941.04    378.178  5610.78    749.260  6053.95    438.073  99.256  7.0148  104.985 3.8526  -5.729103      8.003080  
1 1 1 -4  28  30 f 101.449 2.9590  5631.79    325.132  5243.36    579.994  5809.79    392.623  96.484  5.5738  102.818 3.5256  -6.333115      6.595241  
1 1 1 -4  28  31 o 23.874  7.8360  330.438    234.120  690.537    458.616  203.521    272.270  32.947  10.975  21.367  8.2670  11.58069       13.74000  
1 1 1 -4  28  32 o 28.079  9.0384  502.023    312.283  805.576    472.984  267.441    415.792  34.105  11.135  24.392  9.9554  9.712627       14.93649  
1 1 1 -4  28  33 o 34.566  7.9312  782.289    290.634  0.0000     0.0000   782.289    290.634  ?       ?       34.566  7.9312  0.000000       7.931192  
1 1 1 -4  28  34 o 12.215  2.4853  85.298     31.763   0.0000     0.0000   85.298     31.763   ?       ?       12.215  2.4853  0.000000       2.485344  
1 1 1 -4  28  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  1  o 287.074 5.0155  44646.02   1559.48  45684.18   2205.74  43608.45   2205.12  290.343 7.0141  283.666 7.1772  6.677429       10.03546  
1 1 1 -4  29  2  o 355.172 6.8169  68360.09   2622.37  71952.41   3212.86  61190.63   4538.88  364.333 8.1419  335.772 12.481  28.56158       14.90148  
1 1 1 -4  29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  4  f 401.232 6.4398  87235.18   2798.56  85566.41   3957.51  88904.38   3958.02  397.251 9.1978  404.935 9.0245  -7.683563      12.88573  
1 1 1 -4  29  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  6  o 616.182 14.328  206272.70  9562.21  206272.70  9562.21  0.0000     0.0000   616.182 14.328  ?       ?       0.000000       14.32779  
1 1 1 -4  29  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  8  o 348.318 5.9450  65744.87   2242.85  65710.38   3171.94  65779.35   3171.79  348.118 8.4126  348.301 8.4077  -0.1829224     11.89375  
1 1 1 -4  29  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  10 o 663.675 15.528  239830.30  11162.24 248569.09  15786.13 231092.30  15785.46 673.950 21.626  649.567 22.437  24.38293       31.16253  
1 1 1 -4  29  11 o 233.208 8.6710  29513.21   2190.20  29513.21   2190.20  0.0000     0.0000   233.208 8.6710  ?       ?       0.000000       8.671016  
1 1 1 -4  29  12 o 130.188 3.0561  9181.45    430.935  9834.93    608.752  8525.04    610.118  134.723 4.1718  125.425 4.4912  9.297859       6.129821  
1 1 1 -4  29  13 o 472.972 7.9576  121451.50  4076.50  122123.50  5765.37  120779.70  5764.72  473.688 11.237  471.061 11.299  2.626373       15.93550  
1 1 1 -4  29  14 o 450.411 9.7201  110364.40  4741.87  107033.40  7388.14  112697.70  6183.54  442.044 15.431  454.459 12.562  -12.41467      19.89811  
1 1 1 -4  29  15 o 140.722 3.1713  10730.15   483.353  10234.55   967.918  10894.79   557.894  137.311 6.5082  141.785 3.6329  -4.474152      7.453518  
1 1 1 -4  29  16 o 305.601 5.8103  50686.07   1923.18  52042.41   5239.47  50474.88   2067.50  307.159 15.803  304.910 6.2604  2.248871       16.99746  
1 1 1 -4  29  17 o 184.107 3.9132  18376.43   780.324  19114.59   1476.48  18090.34   919.185  187.513 7.2698  182.626 4.6470  4.886887       8.628141  
1 1 1 -4  29  18 o 143.247 3.2318  11121.74   501.420  11048.76   996.605  11146.47   580.205  142.598 6.4527  143.386 3.7360  -0.7877655     7.456179  
1 1 1 -4  29  19 o 163.033 3.4689  14409.69   612.550  16262.65   1220.35  13785.60   708.231  172.964 6.5142  159.429 4.1015  13.53493       7.697829  
1 1 1 -4  29  20 o 238.413 4.4543  30845.96   1150.21  30831.69   2293.19  30850.76   1329.54  237.621 8.9102  238.348 5.1502  -0.7275085     10.29150  
1 1 1 -4  29  21 o 181.785 3.9274  17930.06   773.268  18283.10   1465.94  17793.96   910.198  183.124 7.3909  181.025 4.6422  2.098694       8.727898  
1 1 1 -4  29  22 o 137.503 3.2506  10256.29   484.118  10647.96   959.221  10122.42   560.778  139.779 6.3359  136.562 3.7913  3.216812       7.383600  
1 1 1 -4  29  23 o 126.258 3.1827  8651.83    435.244  9155.02    853.026  8474.73    506.077  129.505 6.0815  124.908 3.7407  4.596977       7.139834  
1 1 1 -4  29  24 o 106.559 3.0450  6166.29    351.435  4604.37    679.260  6737.21    410.671  91.304  6.9202  111.344 3.4053  -20.04021      7.712662  
1 1 1 -4  29  25 o 98.654  3.0553  5291.00    326.467  6417.62    692.744  4969.35    370.148  107.918 5.9496  95.540  3.5770  12.37723       6.942132  
1 1 1 -4  29  26 o 122.021 3.1567  8105.03    417.199  8289.56    833.186  8043.29    481.974  122.310 6.3109  121.447 3.6641  0.8629150      7.297470  
1 1 1 -4  29  27 o 97.202  3.2568  5151.90    342.875  5936.84    689.231  4893.75    395.254  103.256 6.1914  94.605  3.8574  8.650101       7.294725  
1 1 1 -4  29  28 o ?       ?       -73.3801   18.679   32.270     27.750   -160.9163  25.259   7.9877  2.6996  ?       ?       0.000000       2.699643  
1 1 1 -4  29  29 o 60.006  4.0018  1989.10    258.595  2130.43    530.110  1944.96    296.232  60.235  8.3501  59.126  4.6636  1.108616       9.564137  
1 1 1 -4  29  30 o 91.317  2.7787  4558.33    274.832  4379.30    462.349  4656.15    341.767  88.553  4.8389  92.069  3.4273  -3.516579      5.929669  
1 1 1 -4  29  31 o 23.075  8.7366  263.234    299.719  116.291    455.250  375.651    398.191  23.553  10.065  26.592  10.070  -3.038877      14.23747  
1 1 1 -4  29  32 o 15.478  7.1897  -183.9538  289.883  -272.5978  447.651  -119.9375  380.418  18.763  8.7872  18.632  8.5003  0.1308842      12.22579  
1 1 1 -4  29  33 o 34.514  2.2093  656.625    82.157   0.0000     0.0000   656.625    82.157   ?       ?       34.514  2.2093  0.000000       2.209331  
1 1 1 -4  29  34 o 20.149  8.9658  79.966     393.858  0.0000     0.0000   79.966     393.858  ?       ?       20.149  8.9658  0.000000       8.965784  
1 1 1 -4  29  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  30  1  o 216.004 4.1122  25273.62   962.062  25214.80   1360.82  25332.40   1360.30  215.726 5.8241  216.229 5.8083  -0.5027771     8.225372  
1 1 1 -4  30  2  o 305.916 5.4058  50702.05   1791.14  50258.86   2533.26  51145.10   2532.85  304.511 7.6808  307.186 7.6127  -2.675385      10.81422  
1 1 1 -4  30  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  30  4  o 511.317 11.066  141842.80  6128.20  141080.70  6741.72  145467.70  14702.88 509.842 12.209  514.961 26.450  -5.119934      29.13164  
1 1 1 -4  30  5  o 247.895 4.6807  33290.62   1256.76  35336.91   1664.05  30573.75   1917.41  255.373 6.0162  237.504 7.4538  17.86899       9.578785  
1 1 1 -4  30  6  f 261.961 4.7763  37176.66   1355.18  38171.66   1916.17  36180.97   1916.85  265.398 6.6660  258.380 6.8495  7.018097       9.557804  
1 1 1 -4  30  7  o 468.452 7.6280  118958.40  3870.29  117371.20  5473.09  120546.00  5473.75  465.082 10.865  471.342 10.722  -6.260376      15.26475  
1 1 1 -4  30  8  o 527.580 10.092  151014.91  5766.75  147812.59  7062.23  157422.50  9989.93  521.699 12.498  537.718 17.153  -16.01953      21.22333  
1 1 1 -4  30  9  o 565.087 10.762  173337.00  6586.78  167012.59  11406.60 176500.91  8067.85  553.303 19.034  569.904 13.070  -16.60089      23.08928  
1 1 1 -4  30  10 o 342.584 8.3006  63663.80   3079.96  68349.16   4357.60  58986.55   4353.83  354.712 11.342  329.443 12.202  25.26883       16.65924  
1 1 1 -4  30  11 o 450.354 8.7601  110078.90  4273.00  112760.90  5233.92  104718.50  7399.39  455.574 10.607  438.209 15.590  17.36472       18.85624  
1 1 1 -4  30  12 o 193.149 4.0301  20214.61   843.092  20205.65   1268.69  20221.69   1128.25  193.038 6.0680  193.140 5.3934  -0.1021576     8.118448  
1 1 1 -4  30  13 o 513.684 9.3868  143426.20  5222.56  143606.00  6830.53  143173.20  8103.08  513.335 12.285  511.895 14.615  1.439697       19.09253  
1 1 1 -4  30  14 o 226.509 4.2568  27810.14   1044.33  27597.01   1478.46  28022.38   1475.37  225.535 6.0524  227.271 5.9936  -1.735489      8.517875  
1 1 1 -4  30  15 o 114.727 2.9352  7131.56    364.732  7304.47    732.796  7074.62    420.521  115.878 5.8577  114.259 3.3980  1.618973       6.771924  
1 1 1 -4  30  16 o 86.856  2.8905  4087.65    271.923  4138.98    544.618  4070.60    313.841  87.135  5.8039  86.666  3.3434  0.4685516      6.698056  
1 1 1 -4  30  17 o 191.518 3.9925  19886.90   828.175  19454.42   2037.01  19972.55   906.475  188.583 10.009  191.908 4.3611  -3.325287      10.91754  
1 1 1 -4  30  18 o 93.789  2.7702  4766.63    281.404  5318.69    598.744  4610.12    318.810  98.816  5.6174  92.227  3.1916  6.589928       6.460796  
1 1 1 -4  30  19 o 129.392 3.0754  9074.67    431.008  6557.93    883.947  9859.64    493.669  109.510 7.4976  134.860 3.3797  -25.35042      8.224171  
1 1 1 -4  30  20 o 81.325  3.0031  3585.22    264.526  2805.01    536.554  3835.74    304.044  71.441  7.0251  84.109  3.3375  -12.66876      7.777576  
1 1 1 -4  30  21 o 203.434 4.1923  22463.04   923.729  23398.29   1738.66  22095.23   1090.34  207.062 7.7525  201.667 4.9918  5.395294       9.220631  
1 1 1 -4  30  22 o 215.548 4.1383  25231.93   966.123  25513.86   1929.57  25137.60   1116.10  215.847 8.2536  215.042 4.7919  0.8056030      9.543832  
1 1 1 -4  30  23 o 59.471  3.4277  1926.83    219.856  2227.76    433.491  1822.61    255.100  63.534  6.3860  57.759  4.1045  5.774685       7.591291  
1 1 1 -4  30  24 o 158.757 3.4319  13699.71   590.121  13672.55   1176.38  13708.84   682.161  157.722 6.8863  158.712 3.9683  -0.9892883     7.947865  
1 1 1 -4  30  25 o 51.192  2.5272  1423.06    140.122  1262.29    169.145  1774.74    250.169  48.060  3.2688  56.901  4.0865  -8.840611      5.232996  
1 1 1 -4  30  26 o 79.547  2.8304  3441.29    243.858  3285.73    587.673  3473.64    268.023  76.552  7.1714  79.887  3.0976  -3.335068      7.811771  
1 1 1 -4  30  27 o 30.141  6.5511  524.528    207.760  1211.87    440.478  327.862    235.615  45.294  9.2903  24.340  7.8526  20.95475       12.16442  
1 1 1 -4  30  28 o 68.054  2.2088  2517.93    162.807  2919.66    252.647  2232.64    212.907  73.127  3.1898  63.966  3.0730  9.161236       4.429272  
1 1 1 -4  30  29 o 14.963  6.6280  -54.9404   212.907  51.141     428.576  -89.6979   245.319  22.676  9.7303  15.615  7.0027  7.060685       11.98814  
1 1 1 -4  30  30 o 3.4525  1.7377  -92.0061   29.526   -92.5097   29.616   -9.9808    377.970  3.4546  1.7389  20.481  8.9599  -17.02606      9.127089  
1 1 1 -4  30  31 o 16.770  7.5548  -95.4056   289.212  -496.7181  441.315  206.688    382.894  17.261  8.2677  23.451  9.5603  -6.189539      12.63936  
1 1 1 -4  30  32 o 18.109  2.2242  182.049    42.707   320.715    466.137  180.875    42.888   25.585  10.503  18.046  2.2426  7.539452       10.73954  
1 1 1 -4  30  33 o 18.259  8.3688  -88.5301   374.417  0.0000     0.0000   -88.5301   374.417  ?       ?       18.259  8.3688  0.000000       8.368834  
1 1 1 -4  30  34 o 24.944  9.8888  419.107    397.630  0.0000     0.0000   419.107    397.630  ?       ?       24.944  9.8888  0.000000       9.888793  
1 1 1 -4  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  31  1  o 517.668 10.014  145335.41  5614.96  146134.20  6876.35  143737.00  9726.94  518.904 12.235  514.055 17.470  4.849365       21.32837  
1 1 1 -4  31  2  o 236.311 4.3311  30250.03   1108.54  29846.66   1568.13  30652.96   1567.30  234.697 6.1688  237.848 6.0839  -3.150818      8.664198  
1 1 1 -4  31  3  o 513.624 8.6745  143025.50  4825.70  142916.80  6824.60  143134.20  6824.54  513.143 12.279  513.534 12.270  -0.3911743     17.35868  
1 1 1 -4  31  4  o 221.129 4.1417  26487.76   991.955  26116.51   1402.74  26859.11   1402.93  219.545 5.8991  222.646 5.8177  -3.101044      8.285215  
1 1 1 -4  31  5  o 399.463 6.5710  86474.13   2843.00  85657.82   4020.33  87290.66   4020.91  397.437 9.3395  401.212 9.2529  -3.775177      13.14698  
1 1 1 -4  31  6  o 439.514 7.4243  104707.30  3534.27  105338.60  4997.87  104075.80  4998.54  440.641 10.472  437.987 10.537  2.654083       14.85559  
1 1 1 -4  31  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  31  8  o 538.983 8.7341  157549.70  5098.74  160297.30  7210.62  154801.91  7210.78  543.284 12.254  533.863 12.470  9.420776       17.48346  
1 1 1 -4  31  9  o 34.770  3.7288  662.451    138.236  420.776    221.506  816.620    176.917  27.390  7.3246  38.585  4.3068  -11.19489      8.496938  
1 1 1 -4  31  10 o 506.773 11.997  139594.59  6584.87  130218.90  9312.33  148970.59  9312.49  488.424 17.603  522.670 16.450  -34.24579      24.09309  
1 1 1 -4  31  11 o 365.632 7.2450  72513.73   2869.16  73758.38   3514.43  70026.30   4968.29  368.617 8.8026  358.704 12.788  9.913635       15.52472  
1 1 1 -4  31  12 o 394.366 6.7082  84362.23   2865.34  85825.20   4053.17  82900.66   4051.22  397.456 9.4153  390.603 9.5759  6.852020       13.42932  
1 1 1 -4  31  13 o 191.427 3.7844  19857.23   784.647  19656.02   1112.98  20056.06   1106.37  190.393 5.3972  192.324 5.3112  -1.931519      7.572232  
1 1 1 -4  31  14 o 308.122 5.3835  51491.14   1796.62  51043.14   2540.75  51939.18   2540.87  306.546 7.6524  309.233 7.5862  -2.686920      10.77542  
1 1 1 -4  31  15 o 196.988 3.9820  21034.04   849.595  21685.60   1609.00  20782.15   1000.43  199.786 7.4357  195.769 4.7182  4.017685       8.806272  
1 1 1 -4  31  16 o 203.796 3.9177  22515.27   864.768  24757.92   1731.54  21770.02   998.163  213.414 7.4910  200.356 4.5997  13.05818       8.790442  
1 1 1 -4  31  17 o 194.743 3.8330  20560.77   808.482  19870.40   1616.39  20791.12   933.666  191.116 7.8087  195.796 4.4027  -4.680511      8.964347  
1 1 1 -4  31  18 o 97.314  2.6846  5131.60    282.957  5145.15    524.724  5126.05    335.995  97.244  4.9989  97.250  3.1899  -0.6225586E-02 5.929917  
1 1 1 -4  31  19 o 395.945 7.2556  85317.11   3111.58  89617.79   5770.58  83554.08   3694.72  403.531 13.203  391.410 8.7152  12.12119       15.82007  
1 1 1 -4  31  20 o 333.858 5.8332  60586.83   2109.31  62332.82   4218.57  60004.82   2435.63  336.807 11.564  332.036 6.7726  4.770966       13.40143  
1 1 1 -4  31  21 o 111.630 2.9692  6756.31    358.990  6884.57    694.041  6709.46    419.461  112.361 5.7219  111.217 3.4822  1.143959       6.698148  
1 1 1 -4  31  22 f 62.226  1.9552  2098.29    131.777  2364.30    204.764  1910.23    172.167  66.028  2.8633  59.355  2.6781  6.672882       3.920501  
1 1 1 -4  31  23 f 52.752  2.4681  1509.22    141.016  1356.46    169.893  1847.59    252.846  49.889  3.1605  58.158  4.0391  -8.269005      5.128604  
1 1 1 -4  31  24 o 52.546  2.1787  1497.63    123.998  1561.38    144.604  1320.54    241.010  53.640  2.4890  49.000  4.5949  4.640701       5.225696  
1 1 1 -4  31  25 o 113.409 3.1719  6995.88    389.613  8062.81    795.867  6659.59    446.816  120.890 6.0979  110.556 3.7314  10.33393       7.149010  
1 1 1 -4  31  26 o 149.460 3.4160  12173.65   552.984  11315.66   1117.54  12451.85   636.351  142.362 7.2719  151.018 3.8904  -8.656433      8.247211  
1 1 1 -4  31  27 o 35.502  2.0319  686.699    77.805   673.971    82.203   796.201    241.107  35.155  2.1695  37.407  6.1659  -2.252010      6.536396  
1 1 1 -4  31  28 o 65.822  3.6650  2379.34    260.252  2347.28    535.676  2389.25    297.754  63.797  7.9229  65.818  4.1987  -2.020550      8.966656  
1 1 1 -4  31  29 o 83.329  3.5202  3808.45    317.709  4309.52    618.888  3629.15    370.215  87.045  6.6139  81.011  4.2340  6.033577       7.853068  
1 1 1 -4  31  30 f 65.341  5.3743  2410.42    376.972  1937.26    554.570  2816.84    513.979  56.217  9.4427  69.787  6.8898  -13.56978      11.68902  
1 1 1 -4  31  31 o 52.044  4.6068  1525.20    257.000  1620.96    516.010  1493.61    296.374  50.566  9.7754  51.121  5.4361  -0.5553551     11.18520  
1 1 1 -4  31  32 o 4.1421  2.0190  -53.2155   29.341   -675.0413  451.275  -50.5756   29.403   15.953  7.8065  4.2119  2.0458  11.74128       8.070122  
1 1 1 -4  31  33 o 21.949  9.1173  224.178    356.907  0.0000     0.0000   224.178    356.907  ?       ?       21.949  9.1173  0.000000       9.117288  
1 1 1 -4  31  34 o 24.017  1.6453  316.677    42.542   0.0000     0.0000   316.677    42.542   ?       ?       24.017  1.6453  0.000000       1.645338  
1 1 1 -4  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  31  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  32  1  o 527.568 10.088  150955.41  5764.66  150017.41  7059.64  152832.50  9986.37  525.725 12.398  530.054 17.395  -4.329224      21.36089  
1 1 1 -4  32  2  o 597.250 13.974  193737.30  9039.53  182472.30  12783.31 205004.20  12784.35 578.680 20.396  613.577 19.237  -34.89661      28.03646  
1 1 1 -4  32  3  o 142.939 3.0516  11066.30   472.449  11382.05   668.291  10750.83   667.996  144.954 4.2566  140.876 4.3779  4.077805       6.106129  
1 1 1 -4  32  4  o 196.905 3.8425  21001.64   819.495  20088.69   1158.58  21915.72   1159.30  192.554 5.5553  201.123 5.3219  -8.569611      7.693058  
1 1 1 -4  32  5  o 287.130 5.0565  44665.92   1572.52  44104.39   2223.61  45227.71   2224.15  285.260 7.1969  288.873 7.1087  -3.612793      10.11578  
1 1 1 -4  32  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  32  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  32  8  o 576.991 10.916  180720.30  6822.09  167884.80  11813.43 187142.70  8356.31  554.653 19.665  586.842 13.147  -32.18884      23.65452  
1 1 1 -4  32  9  o 402.524 14.695  88182.45   6406.52  87870.98   9060.18  88493.91   9060.19  400.254 20.972  401.691 20.897  -1.437073      29.60581  
1 1 1 -4  32  10 o 326.473 8.0381  57822.52   2842.29  58605.82   4020.11  57039.61   4019.11  328.395 11.302  323.962 11.454  4.432983       16.09174  
1 1 1 -4  32  11 o 373.014 7.3902  75483.19   2985.73  77883.40   3656.87  70683.66   5171.10  378.748 8.9143  360.263 13.252  18.48407       15.97154  
1 1 1 -4  32  12 o 530.618 8.8575  152938.00  5090.52  153641.20  7199.61  152235.09  7198.57  531.039 12.517  528.589 12.574  2.449829       17.74198  
1 1 1 -4  32  13 o 174.229 3.5556  16448.80   670.971  16114.83   952.470  16777.80   945.363  172.398 5.1009  175.914 4.9617  -3.516174      7.116000  
1 1 1 -4  32  14 o 170.432 3.5138  15740.83   648.633  15520.51   918.714  15959.80   915.903  169.178 5.0138  171.559 4.9291  -2.381332      7.030915  
1 1 1 -4  32  15 o 235.196 4.2817  29990.35   1090.72  34229.77   2185.11  28583.54   1258.74  250.919 8.0402  229.563 5.0625  21.35652       9.501280  
1 1 1 -4  32  16 o 216.966 4.1071  25522.57   965.152  25648.91   1930.98  25480.50   1114.33  217.129 8.2109  216.746 4.7467  0.3833466      9.484195  
1 1 1 -4  32  17 o 378.497 6.4881  77830.32   2659.82  80146.33   5319.55  77058.28   3071.31  382.315 12.846  376.406 7.5335  5.908142       14.89247  
1 1 1 -4  32  18 o 212.679 4.2912  24533.63   988.505  24747.62   1859.97  24449.39   1166.95  213.190 8.0551  212.249 5.0762  0.9415894      9.521127  
1 1 1 -4  32  19 o 133.193 3.2853  9617.23    473.937  9619.83    925.945  9616.31    551.680  133.017 6.4270  133.162 3.8250  -0.1450195     7.479119  
1 1 1 -4  32  20 o 121.313 3.1619  7978.84    415.456  7806.47    823.427  8037.71    481.194  119.624 6.3784  121.737 3.6494  -2.113770      7.348591  
1 1 1 -4  32  21 o 101.652 3.0596  5603.19    336.857  5831.17    675.547  5527.74    388.618  103.330 6.0627  100.943 3.5545  2.387093       7.027833  
1 1 1 -4  32  22 o 151.013 3.4434  12376.49   563.213  12806.75   1084.91  12217.76   658.964  153.190 6.5387  149.979 4.0566  3.210358       7.694868  
1 1 1 -4  32  23 o 88.089  2.7835  4210.38    265.574  4227.98    580.609  4205.73    298.646  87.735  6.1488  88.017  3.1327  -0.2821274     6.900868  
1 1 1 -4  32  24 f 96.624  3.0012  5071.78    314.090  5019.04    628.341  5089.35    362.649  95.470  6.1086  96.742  3.4610  -1.271996      7.020905  
1 1 1 -4  32  25 o 66.160  3.3990  2389.04    242.743  3362.41    531.512  2132.50    272.862  77.843  6.3597  62.390  4.0600  15.45239       7.545137  
1 1 1 -4  32  26 f 63.709  3.5717  2220.47    245.468  1974.24    519.292  2291.32    278.553  58.716  8.4054  64.640  3.9983  -5.923855      9.307921  
1 1 1 -4  32  27 o 61.401  2.0369  2047.57    135.464  2026.21    206.249  2063.78    179.645  60.881  3.1385  61.577  2.6936  -0.6967087     4.135876  
1 1 1 -4  32  28 o 54.180  4.3097  1624.40    250.816  1175.09    498.493  1776.70    290.228  43.742  10.627  56.542  4.7840  -12.79965      11.65393  
1 1 1 -4  32  29 o 24.696  8.7441  326.015    292.517  811.097    440.502  -56.6200   391.231  36.099  10.582  20.392  9.0113  15.70708       13.89888  
1 1 1 -4  32  30 o 71.596  3.4307  2817.59    266.040  3586.97    583.457  2615.65    298.924  78.781  6.9076  68.678  4.0363  10.10327       8.000399  
1 1 1 -4  32  31 o 20.221  7.9868  167.873    258.500  0.0000     0.0000   167.873    258.500  ?       ?       20.221  7.9868  0.000000       7.986826  
1 1 1 -4  32  32 o 12.235  5.8459  -250.3111  217.766  -153.8694  446.144  -280.4748  249.508  19.563  9.0278  13.076  6.2504  6.487093       10.98038  
1 1 1 -4  32  33 o 35.973  2.1491  712.641    83.353   0.0000     0.0000   712.641    83.353   ?       ?       35.973  2.1491  0.000000       2.149118  
1 1 1 -4  32  34 f 19.937  8.7406  113.141    361.365  0.0000     0.0000   113.141    361.365  ?       ?       19.937  8.7406  0.000000       8.740575  
1 1 1 -4  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  33  1  o 294.792 5.8174  47086.13   1857.44  48490.44   2276.41  44288.73   3212.89  299.120 7.0264  285.741 10.381  13.37903       12.53565  
1 1 1 -4  33  2  o 611.659 12.784  203113.59  8469.58  200930.50  11065.01 206202.50  13161.57 607.813 16.808  615.233 19.751  -7.420105      25.93493  
1 1 1 -4  33  3  o 380.931 6.6261  78637.10   2733.84  75722.95   3866.24  81551.27   3866.24  373.669 9.5528  387.802 9.2047  -14.13351      13.26581  
1 1 1 -4  33  4  o 369.629 6.3392  74037.02   2537.88  75483.91   3589.17  72590.23   3589.04  373.108 8.8816  365.878 9.0567  7.230591       12.68489  
1 1 1 -4  33  5  o 130.391 2.9201  9208.65    412.398  9391.87    582.775  9024.87    583.664  131.673 4.0863  129.074 4.1750  2.599106       5.841980  
1 1 1 -4  33  6  o 296.705 5.2480  47697.86   1686.51  48941.96   2386.11  46455.91   2384.05  300.480 7.3317  292.742 7.5190  7.738190       10.50186  
1 1 1 -4  33  7  o 368.263 6.3322  73499.79   2525.71  78068.95   3572.36  68933.02   3571.42  379.410 8.6931  356.486 9.2497  22.92410       12.69359  
1 1 1 -4  33  8  o 226.955 4.7740  27908.11   1173.51  26080.27   2026.27  28830.62   1439.50  219.281 8.5315  230.650 5.7622  -11.36934      10.29514  
1 1 1 -4  33  9  o 552.100 12.964  165759.59  7752.07  177687.41  10963.65 153834.41  10962.51 570.589 17.740  530.591 19.076  39.99817       26.04998  
1 1 1 -4  33  10 o 506.818 12.005  139684.80  6590.15  140491.80  9320.43  138877.91  9319.32  507.233 16.965  504.287 17.062  2.945801       24.06110  
1 1 1 -4  33  11 o 600.933 11.525  196448.70  7501.41  193392.30  9187.19  202562.00  12993.19 595.535 14.243  607.576 19.744  -12.04071      24.34564  
1 1 1 -4  33  12 o 394.891 6.7324  84604.63   2879.49  85143.56   4072.55  84065.87   4071.86  395.785 9.5003  393.263 9.5596  2.521790       13.47744  
1 1 1 -4  33  13 o 155.639 3.3366  13125.34   562.468  12993.66   796.736  13256.17   794.171  154.814 4.7515  156.372 4.6890  -1.558243      6.675648  
1 1 1 -4  33  14 o 371.217 6.9416  74823.38   2790.97  76025.80   3662.76  73158.66   4309.76  373.846 9.0458  366.370 10.861  7.476471       14.13449  
1 1 1 -4  33  15 o 239.896 5.0846  31216.88   1321.13  33637.66   2288.93  30007.54   1617.82  248.664 8.4986  235.097 6.3535  13.56709       10.61103  
1 1 1 -4  33  16 o 179.644 3.7936  17494.60   738.137  17221.16   1788.35  17550.75   810.387  177.541 9.3328  179.914 4.1587  -2.372345      10.21741  
1 1 1 -4  33  17 o 210.482 4.2043  24024.95   958.464  22037.66   2422.78  24393.67   1043.60  200.455 11.204  212.067 4.5435  -11.61246      12.09011  
1 1 1 -4  33  18 o 179.710 3.6480  17509.59   710.060  19845.90   1421.78  16733.23   819.589  191.049 6.8709  175.642 4.3082  15.40775       8.109893  
1 1 1 -4  33  19 o 172.796 3.5676  16190.25   667.708  17166.31   1336.79  15865.78   770.739  177.619 6.9487  171.018 4.1610  6.601166       8.099261  
1 1 1 -4  33  20 o 245.352 4.5083  32675.79   1198.05  37242.65   2397.76  31156.31   1383.07  261.171 8.4764  239.469 5.3324  21.70226       10.01418  
1 1 1 -4  33  21 o 219.777 4.5004  26233.86   1071.27  27907.64   2730.25  25929.28   1164.67  224.997 11.204  218.436 4.9228  6.561615       12.23736  
1 1 1 -4  33  22 o 73.061  3.1622  2896.26    250.232  3246.74    504.388  2781.84    288.199  76.921  6.1042  71.480  3.7355  5.441216       7.156509  
1 1 1 -4  33  23 o 124.574 3.1855  8426.53    429.805  8857.28    846.347  8276.84    498.930  127.262 6.1402  123.402 3.7329  3.859848       7.185844  
1 1 1 -4  33  24 o 111.919 2.9895  6805.16    362.383  7473.28    730.143  6586.79    417.424  116.776 5.7728  110.043 3.5022  6.732681       6.752076  
1 1 1 -4  33  25 o 85.805  3.1652  4005.78    294.158  4439.27    611.258  3875.13    335.570  89.489  6.3476  84.326  3.6741  5.163475       7.334282  
1 1 1 -4  33  26 o 51.336  2.5206  1432.41    140.154  1286.63    167.200  1776.89    257.026  48.497  3.2011  56.843  4.2045  -8.346718      5.284453  
1 1 1 -4  33  27 o 19.737  7.3533  172.945    210.522  46.910     417.708  215.860    243.742  22.703  9.6702  21.545  7.9342  1.157955       12.50853  
1 1 1 -4  33  28 o 43.154  2.1302  1012.47    99.568   808.247    464.031  1022.33    101.942  36.367  10.911  43.305  2.1804  -6.938000      11.12704  
1 1 1 -4  33  29 f 36.140  1.6805  709.460    65.780   718.433    66.668   379.328    404.373  36.367  1.6925  27.248  10.183  9.119499       10.32305  
1 1 1 -4  33  30 o 67.361  3.9384  2514.40    286.091  2765.01    561.573  2426.56    332.469  68.557  7.6958  65.858  4.6916  2.698128       9.013107  
1 1 1 -4  33  31 o 57.804  2.6692  1830.51    167.113  1833.41    535.627  1830.20    175.893  53.853  9.5317  57.763  2.8114  -3.909870      9.937695  
1 1 1 -4  33  32 o 15.155  6.7410  -33.5224   222.453  -148.0061  453.411  2.7709     255.290  19.681  9.0889  16.717  7.3372  2.964048       11.68090  
1 1 1 -4  33  33 o 23.489  9.3457  321.284    356.353  0.0000     0.0000   321.284    356.353  ?       ?       23.489  9.3457  0.000000       9.345715  
1 1 1 -4  33  34 o 14.822  7.1557  -359.0947  345.936  0.0000     0.0000   -359.0947  345.936  ?       ?       14.822  7.1557  0.000000       7.155665  
1 1 1 -4  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  34  1  o 383.206 7.4093  79592.84   3075.24  80954.42   3767.71  76875.45   5322.72  386.392 9.0028  376.271 13.061  10.12064       15.86285  
1 1 1 -4  34  2  o 290.979 5.1517  45871.66   1623.62  45143.05   2296.30  46600.07   2295.99  288.597 7.3462  293.222 7.2294  -4.624207      10.30690  
1 1 1 -4  34  3  o 275.166 4.8421  41019.77   1443.11  40831.09   2041.61  41208.17   2040.13  274.481 6.8674  275.746 6.8309  -1.265625      9.686169  
1 1 1 -4  34  4  o 75.202  2.5463  3062.98    207.399  3081.69    292.690  3044.11    293.927  75.427  3.5827  74.966  3.6200  0.4613647      5.093130  
1 1 1 -4  34  5  o 171.694 3.4330  15967.51   638.406  16866.78   903.283  15070.00   902.403  176.446 4.7265  166.780 4.9956  9.666565       6.877203  
1 1 1 -4  34  6  o 149.906 3.2021  12171.95   519.907  12626.01   735.531  11718.56   734.988  152.663 4.4483  147.073 4.6140  5.590393       6.409098  
1 1 1 -4  34  7  o 624.594 11.790  211856.20  7975.72  204995.20  13811.98 215288.50  9769.06  612.603 20.816  629.217 14.334  -16.61389      25.27453  
1 1 1 -4  34  8  o 279.470 5.6998  42328.58   1725.30  42691.55   2984.06  42146.32   2114.55  280.462 9.8234  278.816 7.0021  1.646210       12.06358  
1 1 1 -4  34  9  o 251.094 5.2361  34168.70   1424.02  35049.96   1745.57  32415.33   2462.20  254.269 6.3383  244.376 9.3024  9.892731       11.25650  
1 1 1 -4  34  10 o 153.396 3.7927  12748.57   630.135  14198.65   1054.45  11943.06   785.903  161.831 6.0158  148.449 4.8879  13.38184       7.751208  
1 1 1 -4  34  11 o 392.702 6.6769  83650.20   2839.94  83527.79   4016.93  83772.52   4015.65  392.097 9.4587  392.673 9.4418  -0.5762634     13.36465  
1 1 1 -4  34  12 o 350.347 6.5133  66593.05   2471.54  68461.14   3246.68  64018.54   3811.43  355.007 8.4437  343.046 10.258  11.96118       13.28621  
1 1 1 -4  34  13 o 473.948 8.6783  122104.50  4454.88  122714.60  5830.18  121248.60  6905.85  474.502 11.344  471.022 13.536  3.479431       17.66145  
1 1 1 -4  34  14 o 139.492 3.1743  10543.41   479.581  10119.23   680.114  10962.91   676.360  136.615 4.5964  142.203 4.3914  -5.588409      6.356941  
1 1 1 -4  34  15 o 176.231 3.7894  16834.66   723.316  16333.56   1083.39  17237.66   971.571  173.483 5.7658  178.265 5.0320  -4.781876      7.652750  
1 1 1 -4  34  16 o 66.684  3.0030  2409.67    216.890  2881.92    432.603  2251.11    250.671  72.660  5.5387  64.342  3.6116  8.318024       6.612175  
1 1 1 -4  34  17 o 235.544 4.3373  30090.24   1106.53  34004.26   2215.34  28789.14   1277.27  249.923 8.1840  230.328 5.1200  19.59492       9.653551  
1 1 1 -4  34  18 o 178.272 3.8063  17232.79   734.953  17055.90   1768.83  17269.70   808.004  176.567 9.2818  178.440 4.1807  -1.873138      10.17991  
1 1 1 -4  34  19 o 347.511 6.0177  65640.09   2265.02  66463.14   4529.57  65365.66   2615.51  347.783 12.025  346.568 6.9679  1.215576       13.89773  
1 1 1 -4  34  20 o 150.419 3.3430  12269.33   544.640  12434.88   1089.76  12214.21   628.802  151.135 6.6573  150.047 3.8692  1.087402       7.700005  
1 1 1 -4  34  21 o 158.470 3.4487  13624.04   591.931  13017.65   1184.12  13826.05   683.453  154.463 7.0778  159.596 3.9538  -5.132584      8.107311  
1 1 1 -4  34  22 o 84.204  3.1094  3847.18    283.585  3783.49    559.502  3869.20    328.972  83.028  6.2679  84.417  3.5980  -1.388756      7.227152  
1 1 1 -4  34  23 o 35.682  1.5742  689.965    60.840   709.083    63.849   501.368    200.544  36.172  1.6297  29.700  6.4213  6.472130       6.624918  
1 1 1 -4  34  24 o 29.976  1.2603  486.914    40.917   497.837    41.892   260.350    190.789  30.310  1.2761  21.976  7.0637  8.334652       7.178074  
1 1 1 -4  34  25 o 90.044  2.5600  4404.70    249.665  4759.76    444.763  4241.35    301.680  93.317  4.4005  88.287  3.1549  5.030090       5.414554  
1 1 1 -4  34  26 o 28.110  6.5270  455.523    194.908  829.927    425.507  356.106    219.264  37.383  10.217  25.055  7.4966  12.32832       12.67259  
1 1 1 -4  34  27 o 64.444  2.6125  2260.13    182.349  2439.24    523.379  2235.38    194.538  65.418  7.5237  64.067  2.8035  1.351364       8.029037  
1 1 1 -4  34  28 o 67.822  5.1293  2562.80    374.006  2087.36    547.785  2977.97    511.887  59.588  8.7480  72.503  6.5905  -12.91496      10.95278  
1 1 1 -4  34  29 o 55.141  2.0430  1654.11    122.018  1618.52    172.756  1689.54    172.363  54.335  2.9466  55.533  2.8755  -1.198669      4.117110  
1 1 1 -4  34  30 o 22.010  7.6170  264.504    221.188  -19.7438   449.877  355.120    254.009  21.971  9.6884  24.781  8.1634  -2.809654      12.66915  
1 1 1 -4  34  31 o 42.757  5.5430  1055.79    250.657  1270.87    495.361  981.762    290.607  43.764  10.570  40.562  6.8593  3.201382       12.60024  
1 1 1 -4  34  32 o 12.960  6.1003  -188.5575  220.428  -207.4992  450.094  -182.5811  252.822  19.007  8.8720  14.147  6.6186  4.859541       11.06880  
1 1 1 -4  34  33 o 32.003  9.7320  741.517    367.331  0.0000     0.0000   741.517    367.331  ?       ?       32.003  9.7320  0.000000       9.732038  
1 1 1 -4  34  34 o 11.455  2.5178  75.373     30.385   0.0000     0.0000   75.373     30.385   ?       ?       11.455  2.5178  0.000000       2.517787  
1 1 1 -4  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  35  1  o 528.107 8.8273  151226.00  5049.18  152284.70  7141.02  150167.41  7140.21  529.627 12.449  525.923 12.535  3.703796       17.66605  
1 1 1 -4  35  2  o 503.285 8.9266  137349.80  4865.95  142245.59  6366.19  130470.50  7546.35  511.961 11.481  490.034 14.218  21.92621       18.27463  
1 1 1 -4  35  3  o 548.157 9.8535  162985.30  5850.13  165634.80  9082.68  161106.80  7647.80  551.986 15.192  544.670 12.964  7.315430       19.97145  
1 1 1 -4  35  4  o 61.615  2.5430  2056.18    169.707  1869.43    239.128  2245.68    240.884  58.624  3.7863  64.295  3.4720  -5.670422      5.137150  
1 1 1 -4  35  5  o 614.907 10.066  205138.80  6704.35  205178.80  9481.30  205098.91  9481.46  614.408 14.248  614.288 14.251  0.1200562      20.15123  
1 1 1 -4  35  6  o 167.102 3.3963  15125.20   614.698  15869.13   870.327  14384.73   868.304  171.145 4.6951  162.941 4.9201  8.204346       6.800841  
1 1 1 -4  35  7  o 326.961 6.6147  57948.03   2342.49  60529.04   4054.02  56654.38   2870.12  333.870 11.211  323.210 8.1987  10.66083       13.88890  
1 1 1 -4  35  8  o 133.770 4.2662  9695.14    618.117  9834.47    872.673  9554.86    875.633  134.699 5.9816  132.768 6.0892  1.930832       8.535652  
1 1 1 -4  35  9  o 247.627 5.1681  33232.45   1386.11  34388.73   1699.25  30933.03   2396.27  251.855 6.2293  238.708 9.2683  13.14740       11.16712  
1 1 1 -4  35  10 o 527.963 12.495  151723.00  7144.86  151278.50  10105.12 152167.50  10103.60 525.839 17.743  527.398 17.688  -1.559326      25.05297  
1 1 1 -4  35  11 o 275.242 4.8984  41065.02   1460.28  42048.42   2066.59  40084.38   2063.70  278.396 6.8537  271.805 7.0100  6.590881       9.803723  
1 1 1 -4  35  12 o 139.089 3.1540  10481.42   475.137  10680.32   672.028  10282.62   671.862  140.372 4.4202  137.731 4.5038  2.640640       6.310453  
1 1 1 -4  35  13 o 152.723 3.3050  12638.37   546.697  12060.30   774.090  13213.63   772.208  149.143 4.7920  156.120 4.5667  -6.976929      6.619555  
1 1 1 -4  35  14 o 95.057  2.8874  4895.73    297.279  4905.65    428.687  4886.55    412.605  95.128  4.1606  94.946  4.0122  0.1820374      5.780054  
1 1 1 -4  35  15 o 60.136  3.1507  1965.06    204.501  2261.50    288.774  1666.82    289.644  64.451  4.1589  55.219  4.8936  9.232151       6.422119  
1 1 1 -4  35  16 o 244.734 4.4934  32483.76   1191.08  32052.23   2382.41  32627.56   1375.30  242.558 9.0684  245.217 5.1782  -2.658295      10.44267  
1 1 1 -4  35  17 o 120.413 3.0281  7857.90    394.920  8362.05    788.464  7689.06    456.280  124.091 5.8664  119.097 3.5372  4.994194       6.850296  
1 1 1 -4  35  18 o 314.202 5.9510  53632.67   2025.22  56997.84   3771.17  52268.84   2400.78  322.748 10.788  309.964 7.1511  12.78354       12.94293  
1 1 1 -4  35  19 o 76.061  3.1506  3136.25    259.553  3383.43    514.890  3052.04    300.530  78.656  6.0913  75.018  3.6987  3.638397       7.126341  
1 1 1 -4  35  20 o 197.175 3.8918  21094.05   831.147  22669.93   1658.76  20565.77   960.409  203.887 7.5114  194.623 4.5561  9.264252       8.785200  
1 1 1 -4  35  21 o 330.866 5.7869  59596.21   2073.80  62693.73   4147.84  58563.87   2394.57  336.847 11.369  327.680 6.7469  9.167572       13.22019  
1 1 1 -4  35  22 o 32.747  5.1941  598.216    178.075  1182.48    363.178  413.289    204.322  45.865  7.5753  26.982  6.9493  18.88339       10.27993  
1 1 1 -4  35  23 o 80.964  3.0188  3559.34    264.723  3830.79    533.667  3470.74    304.876  83.474  5.9415  79.912  3.5224  3.562149       6.907153  
1 1 1 -4  35  24 o 71.898  3.2523  2811.16    253.270  3184.75    545.221  2708.37    286.000  75.734  6.7165  70.423  3.7632  5.310745       7.698841  
1 1 1 -4  35  25 o 51.253  4.0127  1442.41    220.976  1867.03    475.824  1325.65    249.514  57.365  7.8654  48.979  4.7637  8.385445       9.195508  
1 1 1 -4  35  26 o 92.322  3.0217  4641.41    302.150  4538.64    656.425  4669.04    340.349  90.064  6.7789  92.529  3.3961  -2.464531      7.581990  
1 1 1 -4  35  27 o 74.832  4.8629  3097.76    392.005  3080.92    571.799  3112.69    538.459  73.695  7.2579  74.295  6.7656  -0.6003647     9.922236  
1 1 1 -4  35  28 o 46.092  6.6204  1217.43    321.020  1343.78    475.641  1111.72    435.052  47.161  9.6371  42.813  9.6170  4.348675       13.61467  
1 1 1 -4  35  29 o 15.863  2.0470  139.149    34.348   137.471    34.644   236.362    263.664  15.760  2.0804  22.133  8.2325  -6.372776      8.491302  
1 1 1 -4  35  30 o 47.806  2.4387  1250.53    125.852  1478.59    499.682  1235.09    130.045  48.618  9.8272  47.489  2.5375  1.128845       10.14950  
1 1 1 -4  35  31 o 55.902  2.3762  1709.24    143.874  1674.10    522.239  1712.12    149.665  50.909  9.8272  55.926  2.4708  -5.017605      10.13302  
1 1 1 -4  35  32 o 41.756  5.7753  1039.40    254.202  1336.36    500.674  936.268    295.062  42.926  10.783  38.564  7.3322  4.362667       13.03958  
1 1 1 -4  35  33 o 31.281  1.8278  537.017    61.659   0.0000     0.0000   537.017    61.659   ?       ?       31.281  1.8278  0.000000       1.827850  
1 1 1 -4  35  34 o 26.881  11.419  557.610    579.649  0.0000     0.0000   557.610    579.649  ?       ?       26.881  11.419  0.000000       11.41933  
1 1 1 -4  35  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  36  1  o 533.193 8.9120  154163.91  5146.71  155621.80  7279.20  152706.59  7277.90  535.361 12.554  530.310 12.671  5.050964       17.83655  
1 1 1 -4  36  2  o 674.374 15.406  247271.09  11253.05 259571.09  15918.42 234984.09  15910.02 689.691 21.310  655.955 22.394  33.73639       30.91242  
1 1 1 -4  36  3  f 672.090 12.711  245302.80  9252.96  240795.41  11331.78 254321.00  16028.66 665.398 15.723  682.526 21.682  -17.12897      26.78345  
1 1 1 -4  36  4  o 354.105 5.9279  67948.13   2273.56  67153.48   3215.43  68742.66   3215.16  351.915 8.4359  356.060 8.3370  -4.144928      11.86040  
1 1 1 -4  36  5  o 51.704  1.8771  1447.82    105.118  1415.37    207.459  1459.03    121.929  50.976  3.7845  51.903  2.1689  -0.9274635     4.361974  
1 1 1 -4  36  6  o 269.239 5.5128  39281.51   1607.60  38229.79   2780.60  39809.56   1970.27  265.438 9.6718  271.002 6.7125  -5.563995      11.77288  
1 1 1 -4  36  7  o 451.098 9.7779  110444.10  4777.34  114799.60  7443.54  107393.20  6229.72  459.226 14.965  444.455 12.941  14.77139       19.78456  
1 1 1 -4  36  8  o 381.274 8.1966  78864.55   3384.85  79152.30   3739.94  77561.40   7958.85  381.896 9.0417  376.052 19.608  5.844635       21.59253  
1 1 1 -4  36  9  o 282.749 7.1190  43361.23   2180.18  42448.25   3083.58  44273.79   3082.90  279.534 10.185  285.500 9.9697  -5.966095      14.25218  
1 1 1 -4  36  10 o 477.978 9.2945  124096.70  4811.74  126180.20  5893.14  119929.50  8334.23  481.629 11.297  468.394 16.428  13.23474       19.93743  
1 1 1 -4  36  11 o 436.398 7.3970  103365.40  3496.30  103770.60  4944.81  102960.20  4944.23  436.767 10.453  435.051 10.493  1.716309       14.81070  
1 1 1 -4  36  12 f 527.726 8.8200  151375.41  5041.34  148383.91  7129.39  154367.09  7129.67  521.482 12.622  531.969 12.374  -10.48743      17.67606  
1 1 1 -4  36  13 o 156.639 3.3321  13295.22   565.315  13078.80   801.402  13509.58   797.563  155.311 4.7641  157.852 4.6649  -2.540970      6.667681  
1 1 1 -4  36  14 o 182.124 3.6725  17977.38   724.440  17178.99   1027.81  18765.60   1021.24  177.953 5.3326  186.005 5.0691  -8.051620      7.357498  
1 1 1 -4  36  15 o 101.562 2.9057  5589.19    319.634  5042.37    454.821  6122.79    449.291  96.432  4.3546  106.275 3.9032  -9.843422      5.847904  
1 1 1 -4  36  16 o 132.008 3.1678  9444.16    452.934  10794.18   892.726  8976.18    525.608  141.003 5.8455  128.676 3.7713  12.32663       6.956481  
1 1 1 -4  36  17 o 237.653 4.7159  30641.52   1213.89  31460.80   3166.68  30500.40   1314.28  239.266 12.261  237.067 5.1186  2.199219       13.28624  
1 1 1 -4  36  18 o 212.971 4.6993  24612.83   1084.00  26224.32   2573.36  24265.20   1195.21  218.874 10.855  211.412 5.2197  7.462357       12.04490  
1 1 1 -4  36  19 o 37.884  4.4537  789.537    179.255  781.659    372.971  791.903    204.412  37.102  9.2994  37.846  5.1180  -0.7436256     10.61471  
1 1 1 -4  36  20 o 104.796 3.0196  5954.45    342.736  6721.23    690.764  5704.04    394.755  111.018 5.7645  102.545 3.5542  8.473083       6.772129  
1 1 1 -4  36  21 o 92.688  3.0401  4659.63    305.194  5600.01    613.885  4350.90    351.742  101.272 5.6187  89.536  3.6271  11.73548       6.687717  
1 1 1 -4  36  22 o 108.541 3.0221  6393.26    355.276  6799.60    662.997  6229.58    420.792  111.675 5.4813  107.094 3.6277  4.580620       6.573076  
1 1 1 -4  36  23 o 49.666  3.6495  1348.49    194.948  1707.49    394.816  1232.74    224.184  55.380  6.7199  47.366  4.4209  8.013336       8.043750  
1 1 1 -4  36  24 o 50.181  3.7661  1379.18    203.198  1227.45    470.707  1413.93    225.270  45.917  9.7651  50.755  4.1338  -4.837383      10.60398  
1 1 1 -4  36  25 o 148.148 3.3525  11953.20   537.945  13627.54   1092.88  11417.81   617.996  157.007 6.4266  144.636 3.9449  12.37082       7.540818  
1 1 1 -4  36  26 o 96.290  4.5407  5086.47    473.563  5258.95    683.499  4927.23    656.741  97.041  6.5411  93.938  6.4947  3.103188       9.217787  
1 1 1 -4  36  27 o 32.184  2.5498  567.168    88.153   1591.56    451.201  526.514    89.885   52.356  8.2282  30.979  2.7060  21.37673       8.661716  
1 1 1 -4  36  28 f 99.290  3.1327  5388.03    336.890  5179.15    555.548  5509.51    423.680  96.374  5.3431  100.149 3.9059  -3.775581      6.618531  
1 1 1 -4  36  29 o 87.205  2.9563  4159.71    279.231  3980.72    640.661  4201.69    310.250  83.048  7.1935  87.546  3.2719  -4.498749      7.902661  
1 1 1 -4  36  30 f 62.282  4.1297  2157.92    276.998  2036.74    541.815  2200.80    322.302  57.818  8.9405  62.617  4.7886  -4.798908      10.14211  
1 1 1 -4  36  31 o 51.056  2.4295  1427.17    134.349  1125.78    512.051  1449.45    139.227  40.233  11.290  51.436  2.4991  -11.20280      11.56342  
1 1 1 -4  36  32 o 52.096  5.3704  1594.02    298.678  0.0000     0.0000   1594.02    298.678  ?       ?       52.096  5.3704  0.000000       5.370359  
1 1 1 -4  36  33 o 46.654  8.5567  1462.82    416.446  0.0000     0.0000   1462.82    416.446  ?       ?       46.654  8.5567  0.000000       8.556683  
1 1 1 -4  36  34 o 20.348  9.8610  -374.6147  672.895  0.0000     0.0000   -374.6147  672.895  ?       ?       20.348  9.8610  0.000000       9.860973  
1 1 1 -4  36  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  37  1  o 601.902 11.595  196654.50  7559.26  202569.41  9257.93  184822.80  13093.71 610.562 14.000  582.021 20.771  28.54120       25.04825  
1 1 1 -4  37  2  o 401.291 6.7516  87278.21   2934.50  84562.44   4150.48  89992.73   4149.53  394.829 9.7055  407.330 9.4055  -12.50052      13.51520  
1 1 1 -4  37  3  o 578.513 9.4388  181536.70  5914.25  190879.20  8364.74  172197.41  8363.28  592.782 13.028  562.933 13.717  29.84845       18.91783  
1 1 1 -4  37  4  o 659.654 10.968  236187.59  7836.39  242974.91  11082.62 229401.00  11082.05 668.348 15.310  649.326 15.757  19.02185       21.97018  
1 1 1 -4  37  5  o 858.975 19.920  402785.91  18533.18 394651.19  26207.12 410924.00  26212.64 846.697 28.577  864.256 28.003  -17.55939      40.01008  
1 1 1 -4  37  6  o 438.569 9.5554  104375.20  4538.98  101753.60  7074.71  106209.30  5917.39  432.368 15.107  442.103 12.358  -9.735260      19.51769  
1 1 1 -4  37  7  o 531.510 12.542  153592.80  7220.43  159035.20  10211.39 148150.80  10211.08 539.852 17.464  520.905 18.099  18.94727       25.15040  
1 1 1 -4  37  8  o 481.357 9.2437  125781.20  4819.28  128642.00  5902.93  120062.70  8345.73  486.527 11.202  469.076 16.427  17.45081       19.88264  
1 1 1 -4  37  9  o 91.491  3.2332  4534.63    320.392  4457.85    552.726  4573.48    393.187  90.505  5.6671  91.874  3.9513  -1.369728      6.908596  
1 1 1 -4  37  10 o 373.751 7.4108  75804.15   2999.98  76467.92   3674.35  74476.91   5195.73  375.197 9.0417  369.686 12.976  5.510834       15.81555  
1 1 1 -4  37  11 o 226.846 4.5071  27892.36   1107.38  28716.30   1470.93  26814.46   1682.42  230.100 5.9021  222.283 6.9881  7.817429       9.147023  
1 1 1 -4  37  12 o 332.578 5.7833  59998.85   2083.23  60271.02   2946.32  59726.75   2945.93  333.060 8.1675  331.548 8.2036  1.512085       11.57615  
1 1 1 -4  37  13 o 190.517 3.7431  19671.66   772.390  20257.57   1093.92  19089.17   1090.73  193.263 5.2260  187.599 5.3681  5.663940       7.491794  
1 1 1 -4  37  14 o 53.428  3.2649  1552.71    188.030  1420.97    278.202  1663.51    255.124  50.928  5.1125  55.225  4.2991  -4.297012      6.679876  
1 1 1 -4  37  15 o 272.901 4.9061  40398.88   1450.15  39919.66   2051.62  40877.36   2050.02  271.047 6.9885  274.290 6.9004  -3.243530      9.821142  
1 1 1 -4  37  16 o 184.010 4.5692  18365.69   910.652  18481.03   1462.97  18292.72   1163.55  184.360 7.3265  183.552 5.8527  0.8079071      9.377230  
1 1 1 -4  37  17 o 181.754 3.6252  17909.39   713.647  19129.54   1429.76  17504.54   823.575  187.563 7.0380  179.653 4.2325  7.909698       8.212614  
1 1 1 -4  37  18 o 234.052 4.6721  29727.87   1184.40  30008.84   2224.92  29616.76   1399.12  234.547 8.7582  233.518 5.5318  1.029877       10.35887  
1 1 1 -4  37  19 o 156.225 3.3704  13233.59   570.299  14507.15   1145.08  12813.48   657.667  163.298 6.4742  153.689 3.9509  9.608521       7.584501  
1 1 1 -4  37  20 o 76.432  3.0705  3167.67    254.189  3134.21    518.167  3178.27    291.698  75.603  6.3877  76.545  3.5184  -0.9414597     7.292597  
1 1 1 -4  37  21 o 181.721 3.6857  17925.92   725.430  19870.97   1453.38  17280.56   837.171  190.731 7.0354  178.339 4.3341  12.39120       8.263216  
1 1 1 -4  37  22 o 239.415 4.4558  31188.59   1155.43  29356.10   2310.01  31800.03   1334.34  230.483 9.2535  241.574 5.0997  -11.09132      10.56569  
1 1 1 -4  37  23 o 136.008 3.2788  10052.70   483.001  10302.13   1037.18  9983.63    545.794  136.658 7.0311  135.472 3.7197  1.186493       7.954418  
1 1 1 -4  37  24 o 103.096 3.0672  5778.95    342.496  6797.81    707.636  5467.26    391.393  111.071 5.9034  100.201 3.6064  10.86967       6.917825  
1 1 1 -4  37  25 o 128.755 3.1826  9024.81    443.832  10203.93   906.950  8653.51    508.937  135.939 6.1598  125.956 3.7306  9.983101       7.201430  
1 1 1 -4  37  26 o 98.294  4.5424  5302.29    483.598  4693.27    693.129  5879.96    675.051  91.383  7.0576  102.803 6.0897  -11.42067      9.321751  
1 1 1 -4  37  27 f 65.543  4.6636  2376.85    328.911  2234.66    438.370  2560.00    497.526  62.905  6.5292  67.199  6.9354  -4.294777      9.525223  
1 1 1 -4  37  28 o 81.942  2.9444  3666.71    261.320  3469.61    383.008  3838.37    357.440  79.156  4.4858  83.561  3.9494  -4.404488      5.976640  
1 1 1 -4  37  29 o 48.871  4.7564  1339.26    248.577  1180.34    498.769  1391.78    286.723  43.090  10.728  49.579  5.4281  -6.489491      12.02340  
1 1 1 -4  37  30 o 44.870  2.1944  1097.67    106.647  624.758    494.443  1120.74    109.218  31.854  11.359  45.335  2.2243  -13.48059      11.57440  
1 1 1 -4  37  31 o 31.380  1.1825  534.746    40.191   545.799    40.689   91.651     257.627  31.703  1.1850  18.492  7.7191  13.21042       7.809515  
1 1 1 -4  37  32 o 21.781  1.6864  260.405    39.474   0.0000     0.0000   260.405    39.474   ?       ?       21.781  1.6864  0.000000       1.686383  
1 1 1 -4  37  33 o 17.886  8.1276  -45.0828   343.424  0.0000     0.0000   -45.0828   343.424  ?       ?       17.886  8.1276  0.000000       8.127570  
1 1 1 -4  37  34 o 22.116  10.508  -71.3451   683.462  0.0000     0.0000   -71.3451   683.462  ?       ?       22.116  10.508  0.000000       10.50780  
1 1 1 -4  37  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  38  1  o 428.382 8.4502  99510.30   3920.74  100010.80  6789.58  99259.91   4802.37  428.901 14.616  427.702 10.367  1.199799       17.91885  
1 1 1 -4  38  2  o 66.665  2.8206  2407.13    203.662  3025.86    347.562  2083.59    251.333  74.611  4.3194  61.905  3.7664  12.70600       5.730834  
1 1 1 -4  38  3  o 147.127 3.6529  11725.69   582.111  11024.52   1005.90  12078.73   713.772  142.621 6.5118  149.317 4.4135  -6.696167      7.866529  
1 1 1 -4  38  4  o 437.042 8.2817  103583.30  3920.23  98470.87   6787.68  106142.30  4802.12  425.482 14.729  442.265 10.025  -16.78271      17.81682  
1 1 1 -4  38  5  o 652.168 13.783  231292.59  9736.10  240837.80  15120.41 224532.00  12725.17 663.664 21.035  641.549 18.313  22.11462       27.88993  
1 1 1 -4  38  6  o 100.757 3.7887  5499.67    413.465  5029.60    584.622  5970.09    584.833  96.169  5.6373  104.962 5.1443  -8.792641      7.631736  
1 1 1 -4  38  7  o 181.861 4.2032  17919.39   827.929  17632.78   1015.98  18485.98   1428.47  180.378 5.2003  184.631 7.1433  -4.253159      8.835705  
1 1 1 -4  38  8  o 361.970 7.0688  71061.76   2771.33  75187.29   3395.36  62827.99   4796.73  372.212 8.4222  339.743 13.035  32.46832       15.51950  
1 1 1 -4  38  9  o 126.011 3.4670  8602.67    473.183  8807.42    801.987  8493.34    586.063  127.454 5.8096  125.193 4.3221  2.260834       7.240973  
1 1 1 -4  38  10 o 29.076  5.2418  472.441    159.005  563.074    204.032  332.260    253.746  31.680  6.1682  25.163  8.1523  6.516775       10.22287  
1 1 1 -4  38  11 o 174.863 3.5654  16568.77   675.267  17309.92   957.612  15835.73   952.353  178.684 4.9481  170.898 5.1451  7.785812       7.138277  
1 1 1 -4  38  12 o 228.203 4.2486  28228.10   1050.11  29068.23   1487.15  27392.61   1483.04  231.473 5.9318  224.691 6.0939  6.781708       8.504193  
1 1 1 -4  38  13 o 63.004  2.3309  2150.37    159.064  2187.09    195.485  2078.43    273.635  63.535  2.8407  61.785  4.1125  1.750469       4.998274  
1 1 1 -4  38  14 o 194.292 3.7734  20461.77   794.065  21397.18   1127.33  19540.68   1118.67  198.600 5.2409  189.776 5.4424  8.824081       7.555572  
1 1 1 -4  38  15 o 111.468 2.9497  6732.90    356.118  7220.89    507.237  6258.56    500.094  115.405 4.0580  107.433 4.2978  7.972427       5.910894  
1 1 1 -4  38  16 o 137.999 3.6499  10323.69   545.544  11221.33   946.207  9876.71    667.695  143.743 6.0776  134.939 4.5685  8.803818       7.603132  
1 1 1 -4  38  17 o 177.849 3.6016  17148.25   693.778  19375.65   1390.32  16409.71   800.575  188.781 6.7997  173.939 4.2495  14.84119       8.018339  
1 1 1 -4  38  18 o 123.636 3.0861  8285.78    413.267  8320.52    830.691  8274.36    476.408  123.563 6.2270  123.531 3.5607  0.3121948E-01  7.173151  
1 1 1 -4  38  19 o 155.095 3.3906  13043.72   569.564  14301.55   1139.01  12624.32   657.699  162.122 6.4866  152.544 3.9807  9.577682       7.610629  
1 1 1 -4  38  20 o 105.862 3.0491  6077.04    349.605  6266.85    697.596  6013.38    404.001  107.131 6.0366  105.282 3.5429  1.848663       6.999464  
1 1 1 -4  38  21 o 234.863 4.7333  29995.96   1204.07  31506.71   3125.52  29732.69   1304.77  237.680 12.182  233.741 5.1538  3.939224       13.22745  
1 1 1 -4  38  22 o 168.090 3.6466  15352.36   663.891  16569.32   1275.05  14899.73   777.613  173.918 6.7689  165.479 4.3386  8.438446       8.039953  
1 1 1 -4  38  23 o 67.552  2.5244  2476.62    184.700  2109.91    464.263  2545.57    201.317  61.506  7.0995  68.474  2.7145  -6.968483      7.600746  
1 1 1 -4  38  24 o 80.348  2.3821  3504.86    207.305  3472.92    352.427  3521.77    256.343  79.684  4.0973  80.489  2.9405  -0.8051071     5.043260  
1 1 1 -4  38  25 f 38.868  1.7217  819.447    72.481   833.819    73.672   385.715    404.717  39.207  1.7349  28.119  10.244  11.08796       10.38950  
1 1 1 -4  38  26 o 26.458  1.7906  381.626    51.009   379.670    51.444   495.898    393.194  26.387  1.8109  29.972  10.162  -3.584690      10.32200  
1 1 1 -4  38  27 o 45.918  2.0312  1145.63    101.018  1183.05    108.976  917.141    269.291  46.652  2.1567  40.043  6.4263  6.608829       6.778582  
1 1 1 -4  38  28 o 40.122  5.5183  913.106    233.460  978.999    472.246  891.794    268.575  39.603  10.739  39.298  6.5398  0.3050003      12.57353  
1 1 1 -4  38  29 o 15.073  6.7222  -66.9105   222.753  -82.1465   440.124  -61.6638   258.275  21.156  9.4411  16.387  7.2776  4.768852       11.92051  
1 1 1 -4  38  30 o 39.577  2.3036  857.618    98.317   1175.01    496.440  844.661    100.304  42.366  10.789  39.263  2.3697  3.103008       11.04665  
1 1 1 -4  38  31 o 43.969  1.8466  1054.34    87.942   1093.24    92.422   682.051    285.909  44.763  1.9063  32.759  8.1029  12.00374       8.324083  
1 1 1 -4  38  32 o 21.936  8.2077  278.475    262.837  0.0000     0.0000   278.475    262.837  ?       ?       21.936  8.2077  0.000000       8.207698  
1 1 1 -4  38  33 o 21.736  2.0494  261.444    47.677   0.0000     0.0000   261.444    47.677   ?       ?       21.736  2.0494  0.000000       2.049360  
1 1 1 -4  38  34 o 35.174  12.718  1220.84    622.126  0.0000     0.0000   1220.84    622.126  ?       ?       35.174  12.718  0.000000       12.71763  
1 1 1 -4  38  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  39  1  o 607.396 11.663  200326.20  7672.47  204957.00  13288.16 198010.41  9397.16  612.797 20.021  603.460 14.377  9.337280       24.64820  
1 1 1 -4  39  2  o 268.854 5.2653  39166.36   1533.25  38362.79   2652.00  39569.82   1879.14  265.931 9.2073  270.199 6.4210  -4.268250      11.22519  
1 1 1 -4  39  3  o 345.456 7.5836  64705.68   2837.51  66146.82   4442.75  63712.79   3687.62  348.990 11.754  342.649 9.9364  6.341553       15.39079  
1 1 1 -4  39  4  o 523.945 9.7928  148979.50  5557.29  144315.91  9623.86  151312.50  6806.84  514.537 17.269  527.765 11.908  -13.22845      20.97641  
1 1 1 -4  39  5  o 170.633 4.8664  15776.55   899.375  16152.30   1274.85  15404.25   1268.98  172.606 6.8192  168.559 6.9508  4.047897       9.737302  
1 1 1 -4  39  6  o 626.416 11.912  213287.20  8082.20  215400.59  9899.29  209062.00  13996.94 628.948 14.532  617.820 20.917  11.12787       25.46952  
1 1 1 -4  39  7  o 349.045 6.7874  66065.96   2566.01  68678.03   3143.86  60853.34   4441.19  355.774 8.1587  334.493 12.259  21.28107       14.72542  
1 1 1 -4  39  8  o 156.952 3.2563  13345.20   553.559  13538.70   782.385  13151.23   783.319  158.060 4.5701  155.780 4.6425  2.279892       6.514536  
1 1 1 -4  39  9  o 401.995 9.6533  87814.98   4203.06  93069.80   5945.10  82563.98   5942.94  413.217 13.283  389.037 14.104  24.18018       19.37450  
1 1 1 -4  39  10 o 298.922 5.6526  48455.46   1830.12  48514.30   2410.36  48375.37   2812.23  298.956 7.4440  298.400 8.7013  0.5559692      11.45098  
1 1 1 -4  39  11 o 377.533 6.4737  77342.38   2647.13  79769.61   3744.23  74916.73   3742.99  383.051 9.0248  371.170 9.3105  11.88071       12.96658  
1 1 1 -4  39  12 f 205.133 3.9361  22806.94   874.521  23505.64   1239.09  22113.46   1234.45  208.171 5.4955  201.904 5.6449  6.267685       7.878205  
1 1 1 -4  39  13 f 75.453  2.7983  3084.61    228.688  3233.65    327.922  2943.49    319.086  77.137  3.9381  73.580  4.0191  3.557182       5.626878  
1 1 1 -4  39  14 o 385.701 6.5939  80793.77   2754.62  83760.01   3896.76  77830.96   3894.50  392.197 9.1734  377.983 9.5128  14.21393       13.21530  
1 1 1 -4  39  15 o 227.176 4.2502  27984.97   1045.79  28164.76   1480.02  27805.69   1477.92  227.758 5.9996  226.299 6.0297  1.459427       8.506049  
1 1 1 -4  39  16 o 252.749 4.6184  34653.37   1264.30  34934.16   1788.29  34372.76   1787.69  253.563 6.5115  251.510 6.5624  2.052185       9.244767  
1 1 1 -4  39  17 o 55.149  2.3458  1647.87    140.120  1593.10    174.175  1748.35    235.898  54.135  2.9821  56.651  3.8677  -2.516071      4.883838  
1 1 1 -4  39  18 o 150.171 3.3121  12226.26   538.713  11531.58   1079.52  12456.62   621.651  145.578 6.8464  151.553 3.7871  -5.975342      7.824069  
1 1 1 -4  39  19 o 41.635  4.1011  949.695    182.535  1413.05    378.360  809.138    208.389  50.440  7.1239  38.250  5.1619  12.18960       8.797468  
1 1 1 -4  39  20 o 188.536 3.9748  19295.16   811.675  19739.32   1986.72  19206.17   889.277  189.355 9.7198  188.056 4.3660  1.299545       10.65530  
1 1 1 -4  39  21 o 51.041  2.2732  1412.28    125.667  1550.90    407.910  1397.74    132.092  52.746  7.3390  50.775  2.4019  1.970997       7.722080  
1 1 1 -4  39  22 o 95.384  2.7905  4937.29    288.287  4686.61    505.541  5058.10    350.940  92.576  5.0610  96.499  3.3577  -3.922531      6.073509  
1 1 1 -4  39  23 o 184.022 3.7326  18431.39   743.958  17409.53   1483.45  18774.75   859.912  177.398 7.7207  185.582 4.2781  -8.184189      8.826692  
1 1 1 -4  39  24 o 75.316  4.8080  3116.48    390.167  3227.47    565.107  3015.38    539.352  76.075  6.9345  73.539  6.8503  2.536240       9.747511  
1 1 1 -4  39  25 o 34.635  8.1074  698.735    298.765  679.289    438.905  715.527    407.838  34.269  10.677  34.936  10.165  -0.6664696     14.74176  
1 1 1 -4  39  26 f 69.657  3.6357  2658.07    273.344  2659.36    544.445  2657.64    316.066  68.442  7.4655  69.514  4.2179  -1.071693      8.574648  
1 1 1 -4  39  27 o 52.097  2.3940  1476.77    135.082  1484.36    487.394  1476.14    140.590  49.922  9.3579  52.076  2.4926  -2.153923      9.684175  
1 1 1 -4  39  28 o 63.155  2.5810  2174.53    176.546  1637.37    530.763  2241.36    187.206  51.881  9.8047  64.098  2.6965  -12.21725      10.16874  
1 1 1 -4  39  29 o 55.806  4.3093  1734.07    258.451  1621.17    524.269  1770.32    297.055  51.192  9.8125  56.155  4.9341  -4.962204      10.98320  
1 1 1 -4  39  30 o 47.663  4.8991  1286.60    249.311  1131.66    507.636  1335.85    286.205  41.244  11.113  48.272  5.5767  -7.027901      12.43399  
1 1 1 -4  39  31 o ?       ?       -117.1219  27.033   0.0000     0.0000   -117.1219  27.033   ?       ?       ?       ?       0.000000       ?         
1 1 1 -4  39  32 o 31.596  9.9959  716.179    383.217  0.0000     0.0000   716.179    383.217  ?       ?       31.596  9.9959  0.000000       9.995869  
1 1 1 -4  39  33 o 29.365  9.7470  635.387    361.864  0.0000     0.0000   635.387    361.864  ?       ?       29.365  9.7470  0.000000       9.747001  
1 1 1 -4  39  34 o 23.164  10.539  216.367    579.618  0.0000     0.0000   216.367    579.618  ?       ?       23.164  10.539  0.000000       10.53863  
1 1 1 -4  39  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  40  1  o 79.275  2.9266  3404.00    251.285  3056.83    427.082  3587.83    310.770  74.921  5.2972  81.384  3.5256  -6.462883      6.363181  
1 1 1 -4  40  2  o 665.269 12.624  240510.00  9096.27  237814.50  15754.00 241858.00  11141.04 659.203 22.065  666.564 15.432  -7.361206      26.92575  
1 1 1 -4  40  3  o 124.560 4.1338  8405.51    557.695  8016.76    792.720  8786.47    784.740  121.619 6.0179  127.329 5.6902  -5.710175      8.282146  
1 1 1 -4  40  4  o 324.937 8.0132  57267.14   2820.18  56039.21   3989.79  58493.27   3986.87  321.175 11.469  328.155 11.217  -6.979523      16.04276  
1 1 1 -4  40  5  o 329.414 6.6092  58831.67   2358.11  58840.16   2889.12  58814.75   4081.43  329.345 8.0992  328.997 11.454  0.3476563      14.02809  
1 1 1 -4  40  6  o 687.203 13.088  256969.70  9741.38  254044.30  11931.25 262818.81  16871.02 682.434 16.142  691.761 22.517  -9.326965      27.70535  
1 1 1 -4  40  7  o 226.507 4.1856  27799.62   1026.85  27918.77   1453.00  27680.73   1451.37  226.932 5.9115  225.961 5.9303  0.9702606      8.373431  
1 1 1 -4  40  8  o 162.980 3.3841  14390.74   597.380  14810.79   844.295  13969.64   845.352  165.311 4.7154  160.544 4.8615  4.766785       6.772725  
1 1 1 -4  40  9  o 181.478 5.1512  17854.30   1012.51  18175.01   1434.89  17536.24   1428.95  183.008 7.2390  179.758 7.3394  3.249847       10.30871  
1 1 1 -4  40  10 o 195.105 3.8055  20627.99   804.164  20403.51   1136.27  20853.24   1138.25  193.976 5.4083  196.105 5.3590  -2.128448      7.613695  
1 1 1 -4  40  11 o 117.037 2.9446  7421.15    373.272  7768.63    531.638  7083.31    524.213  119.721 4.0999  114.316 4.2338  5.405739       5.893588  
1 1 1 -4  40  12 o 166.732 3.4546  15064.68   623.850  15074.75   883.013  15054.64   881.503  166.733 4.8896  166.622 4.8845  0.1110077      6.911362  
1 1 1 -4  40  13 o 236.492 4.3708  30323.51   1119.57  30902.89   1584.11  29745.30   1582.51  238.605 6.1297  234.084 6.2417  4.521545       8.748230  
1 1 1 -4  40  14 o 203.161 3.8940  22374.88   856.851  23126.15   1215.85  21633.60   1207.74  206.443 5.4376  199.660 5.5849  6.783783       7.794751  
1 1 1 -4  40  15 o 265.714 4.7774  38299.49   1374.91  37582.39   1945.55  39014.92   1943.29  262.986 6.8303  267.970 6.6955  -4.983093      9.564651  
1 1 1 -4  40  16 o 370.226 6.8649  74507.73   2752.78  76002.55   4252.99  73429.96   3611.30  372.980 10.528  367.024 9.0845  5.956421       13.90549  
1 1 1 -4  40  17 o 216.465 4.1169  25414.33   965.235  24699.10   1930.41  25652.76   1114.57  212.888 8.3720  217.424 4.7329  -4.536255      9.617184  
1 1 1 -4  40  18 o 196.777 3.8710  21002.14   825.019  21584.60   1648.76  20807.58   952.896  199.040 7.6480  195.811 4.4930  3.229111       8.870111  
1 1 1 -4  40  19 o 63.232  3.2253  2173.70    220.158  2198.79    449.340  2165.77    252.548  63.199  6.6649  63.076  3.7130  0.1233330      7.629367  
1 1 1 -4  40  20 o 174.344 3.7796  16497.90   713.704  16956.48   1365.72  16325.62   837.103  176.241 7.1546  173.355 4.4583  2.885880       8.430002  
1 1 1 -4  40  21 o 63.510  3.1989  2194.57    219.336  1988.32    448.206  2259.52    251.510  59.881  7.0454  64.403  3.6203  -4.522388      7.921128  
1 1 1 -4  40  22 o 88.873  3.0426  4288.67    292.879  4636.52    577.843  4168.42    339.754  91.905  5.8352  87.574  3.5819  4.331169       6.846894  
1 1 1 -4  40  23 o 127.527 3.2154  8841.82    444.130  9308.96    917.696  8698.93    507.525  129.902 6.5435  126.411 3.7068  3.490562       7.520503  
1 1 1 -4  40  24 o 56.362  5.5660  1761.53    335.340  2033.72    489.531  1520.87    460.302  59.999  7.7115  51.501  8.5520  8.498009       11.51539  
1 1 1 -4  40  25 o 95.313  4.5510  4978.15    469.813  4589.66    676.396  5340.28    653.049  90.571  6.9481  98.054  6.1807  -7.482277      9.299307  
1 1 1 -4  40  26 o 37.055  5.9633  779.520    231.212  1376.82    453.817  570.127    268.700  48.427  8.9828  31.187  7.9354  17.24076       11.98588  
1 1 1 -4  40  27 o 45.938  4.9836  1179.65    243.984  1281.37    478.776  1143.97    283.567  46.022  9.8988  44.927  5.9756  1.095158       11.56262  
1 1 1 -4  40  28 o 42.587  5.2358  1023.69    236.422  1169.10    481.970  977.618    271.305  43.341  10.400  41.249  6.2699  2.091602       12.14377  
1 1 1 -4  40  29 o 75.210  3.6403  3113.16    296.538  2187.52    595.799  3417.97    341.893  59.823  9.5138  78.567  4.0313  -18.74441      10.33265  
1 1 1 -4  40  30 o 59.242  4.3228  1965.68    275.459  2260.16    542.520  1863.39    319.740  60.902  8.4525  57.246  5.2140  3.656071       9.931331  
1 1 1 -4  40  31 f ?       ?       -357.1300  36.312   -362.7646  36.710   -101.7211  247.157  ?       ?       15.023  6.8529  0.000000       6.852881  
1 1 1 -4  40  32 o 41.339  9.1071  1162.46    396.754  0.0000     0.0000   1162.46    396.754  ?       ?       41.339  9.1071  0.000000       9.107081  
1 1 1 -4  40  33 o 21.630  9.0064  234.055    349.485  0.0000     0.0000   234.055    349.485  ?       ?       21.630  9.0064  0.000000       9.006414  
1 1 1 -4  40  34 o 37.499  12.632  1362.99    607.494  0.0000     0.0000   1362.99    607.494  ?       ?       37.499  12.632  0.000000       12.63155  
1 1 1 -4  41  1  o 207.741 4.5693  23382.63   1028.11  23428.14   1260.91  23292.35   1775.86  207.918 5.5992  207.239 7.9117  0.6783295      9.692515  
1 1 1 -4  41  2  o 348.559 8.4821  65906.81   3202.22  66676.45   4529.99  65138.11   4527.24  350.296 11.940  346.218 12.073  4.077606       16.97976  
1 1 1 -4  41  3  o 348.938 6.9170  66015.66   2614.17  65932.98   3203.05  66180.59   4524.03  348.616 8.4829  348.965 11.969  -0.3490295     14.67062  
1 1 1 -4  41  4  o 508.933 9.8759  140622.80  5443.89  138529.09  6668.18  144807.30  9426.83  504.797 12.196  515.204 16.893  -10.40640      20.83581  
1 1 1 -4  41  5  o 259.404 5.4437  36471.20   1529.46  35722.39   1874.10  37964.52   2646.58  256.672 6.7413  264.458 9.2397  -7.786774      11.43754  
1 1 1 -4  41  6  o 179.923 4.0269  17539.88   784.746  18341.77   963.558  15960.26   1352.38  183.971 4.8357  171.536 7.2790  12.43457       8.738907  
1 1 1 -4  41  7  o 158.852 3.2686  13670.32   562.370  13789.79   794.980  13550.65   795.645  159.517 4.6013  158.126 4.6456  1.390289       6.538634  
1 1 1 -4  41  8  o 102.602 3.3369  5703.35    370.824  5929.25    653.688  5596.17    450.288  104.409 5.8034  101.622 4.0910  2.786613       7.100375  
1 1 1 -4  41  9  o 215.384 4.6649  25145.79   1088.24  24956.15   1331.00  25528.18   1890.05  214.521 5.7285  216.820 8.0483  -2.299469      9.878750  
1 1 1 -4  41  10 o 65.762  2.8083  2342.91    200.029  2378.08    279.812  2306.16    286.059  66.126  3.9244  65.104  4.0773  1.022507       5.659086  
1 1 1 -4  41  11 o 145.086 3.1046  11405.26   487.874  12753.82   695.417  10098.24   684.625  153.393 4.1857  136.478 4.6315  16.91437       6.242656  
1 1 1 -4  41  12 o 234.633 4.3493  29846.23   1105.31  31007.08   1563.53  28686.54   1562.76  239.033 6.0392  229.896 6.2761  9.137558       8.709849  
1 1 1 -4  41  13 o 141.400 3.1686  10834.52   485.266  11354.73   688.300  10320.40   684.257  144.712 4.3914  137.957 4.5794  6.755737       6.344676  
1 1 1 -4  41  14 o 297.761 5.2604  48106.05   1696.50  48581.80   2401.16  47631.84   2397.27  298.950 7.4157  296.004 7.4774  2.946533       10.53109  
1 1 1 -4  41  15 o 106.931 2.8868  6196.09    334.343  6571.43    478.054  5836.71    467.778  110.090 4.0092  103.749 4.1628  6.341484       5.779501  
1 1 1 -4  41  16 o 122.681 3.0650  8156.92    407.271  8348.38    579.593  7970.17    572.412  124.065 4.3132  121.221 4.3598  2.844856       6.132808  
1 1 1 -4  41  17 o 133.569 3.1703  9670.67    458.651  12385.42   906.045  8735.34    531.825  151.013 5.5394  126.916 3.8688  24.09698       6.756719  
1 1 1 -4  41  18 o 148.690 3.2836  11986.75   528.820  13749.96   1060.80  11403.68   610.024  159.021 6.1590  144.995 3.8844  14.02586       7.281600  
1 1 1 -4  41  19 o 42.462  1.8245  976.846    83.908   602.764    370.232  997.101    86.150   32.906  9.7169  42.900  1.8541  -9.993015      9.892230  
1 1 1 -4  41  20 o 142.100 3.3498  10955.79   515.562  11525.73   1132.19  10806.69   579.085  145.259 7.1962  141.093 3.7894  4.165787       8.132966  
1 1 1 -4  41  21 o 134.057 3.1621  9754.37    459.138  9833.44    922.118  9728.31    529.433  134.144 6.3466  133.828 3.6525  0.3161926      7.322627  
1 1 1 -4  41  22 o 200.505 3.9387  21873.73   855.367  21196.28   1701.78  22102.74   989.433  195.941 8.0188  201.398 4.5359  -5.456802      9.212751  
1 1 1 -4  41  23 o 117.780 4.3407  7568.46    553.732  8089.23    783.348  7048.36    782.845  121.368 5.9591  112.992 6.4233  8.376511       8.761786  
1 1 1 -4  41  24 o 61.899  3.0578  2084.32    205.006  1994.11    225.883  2505.75    488.232  60.409  3.4669  66.951  6.8285  -6.541832      7.658146  
1 1 1 -4  41  25 o 32.967  6.0648  619.274    208.570  -141.2889  432.283  850.049    238.120  20.891  9.3372  38.820  5.8444  -17.92946      11.01546  
1 1 1 -4  41  26 o 31.442  6.6079  571.289    217.884  595.081    441.373  563.622    250.540  32.291  10.767  31.045  7.5285  1.245213       13.13792  
1 1 1 -4  41  27 f 26.538  7.3399  411.933    218.074  344.214    443.680  433.505    250.409  27.471  10.574  27.234  7.9770  0.2368813      13.24572  
1 1 1 -4  41  28 o 41.589  5.3516  979.461    235.470  994.353    478.264  974.696    270.530  39.723  10.822  41.165  6.2653  -1.441952      12.50484  
1 1 1 -4  41  29 o 43.590  5.3990  1080.62    249.449  1028.60    492.908  1098.53    289.220  39.918  11.033  43.589  6.3097  -3.670235      12.70958  
1 1 1 -4  41  30 o ?       ?       -261.4902  32.840   273.907    453.588  -264.3115  32.927   25.414  10.388  ?       ?       0.000000       10.38808  
1 1 1 -4  41  31 o 27.060  1.3323  398.221    39.047   404.077    39.490   141.663    261.405  27.257  1.3376  19.262  7.8813  7.995144       7.993980  
1 1 1 -4  41  32 o 39.593  8.7930  1057.81    367.259  0.0000     0.0000   1057.81    367.259  ?       ?       39.593  8.7930  0.000000       8.792959  
1 1 1 -4  41  33 o 18.014  8.2565  -60.7589   364.423  0.0000     0.0000   -60.7589   364.423  ?       ?       18.014  8.2565  0.000000       8.256496  
1 1 1 -4  41  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  42  1  o 323.843 7.2230  56869.32   2533.50  59213.64   3290.28  53455.13   3970.71  330.316 9.1967  313.639 11.689  16.67682       14.87299  
1 1 1 -4  42  2  o 545.924 10.446  161851.00  6176.86  164389.41  7566.42  156779.59  10694.86 549.821 12.706  535.729 18.431  14.09229       22.38645  
1 1 1 -4  42  3  o 236.128 5.0252  30215.09   1285.20  27906.07   1573.43  34843.94   2227.77  226.879 6.4030  253.434 8.1159  -26.55547      10.33760  
1 1 1 -4  42  4  o 397.540 7.8863  85734.06   3395.64  83567.67   4159.86  90060.17   5878.40  392.301 9.7901  406.791 13.342  -14.49005      16.54849  
1 1 1 -4  42  5  o 172.388 3.9471  16101.02   736.978  16397.38   904.105  15514.14   1272.29  173.948 4.7988  169.135 6.9452  4.812988       8.441769  
1 1 1 -4  42  6  o 588.680 9.7943  188254.20  6244.89  188591.09  8831.68  187917.41  8831.53  588.295 13.860  587.236 13.885  1.058167       19.61919  
1 1 1 -4  42  7  o 442.857 7.3062  106413.50  3504.51  111443.00  4956.41  101385.10  4955.86  452.808 10.106  431.813 10.596  20.99442       14.64287  
1 1 1 -4  42  8  o 356.450 7.0051  68942.34   2704.47  73080.83   4684.39  66873.24   3312.25  366.336 11.806  350.873 8.7157  15.46262       14.67469  
1 1 1 -4  42  9  o 223.426 4.7972  27061.40   1160.90  26978.70   1420.00  27228.06   2015.88  223.027 5.8784  223.884 8.3133  -0.8568573     10.18167  
1 1 1 -4  42  10 o 116.608 2.9241  7366.80    369.309  7575.28    520.453  7155.37    524.131  118.224 4.0645  114.897 4.2117  3.326759       5.853097  
1 1 1 -4  42  11 o 125.013 3.0203  8467.65    408.957  8553.52    579.987  8382.75    576.733  125.615 4.2629  124.355 4.2820  1.260750       6.042145  
1 1 1 -4  42  12 o 187.115 3.6922  18976.16   748.281  18951.23   1058.40  19001.07   1058.06  186.916 5.2280  187.162 5.2194  -0.2460938     7.387404  
1 1 1 -4  42  13 o 138.979 3.1481  10466.82   473.884  10685.59   671.986  10250.40   668.375  140.380 4.4196  137.488 4.4883  2.891022       6.299058  
1 1 1 -4  42  14 o 213.220 4.3706  24653.40   1009.35  24403.38   1534.73  24843.97   1339.91  211.947 6.6855  213.935 5.7826  -1.988770      8.839374  
1 1 1 -4  42  15 o 39.166  1.4477  830.862    61.411   866.994    64.284   453.541    207.737  40.008  1.4835  28.325  6.8470  11.68294       7.005814  
1 1 1 -4  42  16 o 32.624  4.6367  588.974    159.231  681.026    240.742  517.387    212.302  34.825  6.6246  30.266  6.6573  4.559053       9.391713  
1 1 1 -4  42  17 o 173.719 4.1518  16370.62   781.195  17123.87   1348.59  15990.22   958.358  177.395 7.0189  171.611 5.1560  5.783829       8.709147  
1 1 1 -4  42  18 o 356.167 6.1454  68988.09   2370.70  70834.61   4741.15  68372.50   2737.50  358.692 12.204  354.316 7.1333  4.376404       14.13558  
1 1 1 -4  42  19 o 171.209 3.5458  15901.61   657.522  15438.13   1316.12  16055.77   759.034  168.239 7.2227  171.989 4.0747  -3.750076      8.292750  
1 1 1 -4  42  20 o 188.068 3.7587  19202.66   765.631  18295.36   1531.83  19504.80   883.965  182.832 7.7355  189.468 4.3075  -6.635818      8.853985  
1 1 1 -4  42  21 o 134.051 3.2056  9755.38    465.417  10243.80   925.324  9589.97    538.490  136.898 6.2406  132.850 3.7424  4.047485       7.276718  
1 1 1 -4  42  22 o 154.384 5.6710  13040.58   948.276  13200.80   1341.06  12880.35   1341.07  154.336 8.0504  152.402 8.1540  1.934006       11.45843  
1 1 1 -4  42  23 o 21.713  1.3630  256.512    31.891   173.995    414.676  257.003    31.986   24.819  10.010  21.733  1.3658  3.085770       10.10295  
1 1 1 -4  42  24 o 59.925  2.3023  1949.85    149.433  1628.53    484.916  1983.57    157.078  53.230  8.7124  60.434  2.3997  -7.204636      9.036856  
1 1 1 -4  42  25 o 31.605  2.0769  544.714    70.700   525.734    73.677   765.421    251.245  31.033  2.2063  36.592  6.5812  -5.558929      6.941233  
1 1 1 -4  42  26 o 104.367 3.0882  5939.96    349.089  5317.63    734.121  6121.80    396.826  97.131  7.0255  105.859 3.4610  -8.727928      7.831755  
1 1 1 -4  42  27 o 89.238  2.9969  4347.71    289.659  3457.08    649.642  4568.70    323.606  77.433  7.8548  91.408  3.2686  -13.97549      8.507711  
1 1 1 -4  42  28 o 73.006  3.7441  2938.13    295.065  2876.06    578.515  2959.95    343.038  70.271  7.7287  73.052  4.3553  -2.781494      8.871409  
1 1 1 -4  42  29 o 49.613  4.6797  1381.54    248.497  1729.40    505.516  1270.70    285.354  53.229  9.0950  47.166  5.7015  6.063114       10.73435  
1 1 1 -4  42  30 f 6.4411  2.6841  4.9274     31.076   2.5549     31.313   159.357    252.632  6.3412  2.6718  19.816  7.8739  -13.47526      8.314827  
1 1 1 -4  42  31 o 6.1045  2.5994  0.3962     30.165   0.0000     30.358   31.218     267.752  6.1040  2.6036  17.459  7.5915  -11.35522      8.025599  
1 1 1 -4  42  32 o 79.712  5.4006  3740.62    463.519  0.0000     0.0000   3740.62    463.519  ?       ?       79.712  5.4006  0.000000       5.400625  
1 1 1 -4  42  33 o 35.235  9.3872  904.540    364.694  0.0000     0.0000   904.540    364.694  ?       ?       35.235  9.3872  0.000000       9.387215  
1 1 1 -4  42  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  43  1  f 287.322 10.219  44834.02   3180.18  44834.02   3180.18  0.0000     0.0000   287.322 10.219  ?       ?       0.000000       10.21907  
1 1 1 -4  43  2  o 788.420 14.703  338643.50  12555.30 348022.31  15378.38 319895.69  21742.63 798.165 17.789  761.292 26.369  36.87317       31.80813  
1 1 1 -4  43  3  o 143.109 3.5832  11095.13   555.401  11915.47   681.785  9476.77    957.613  148.294 4.2448  132.029 6.7187  16.26483       7.947279  
1 1 1 -4  43  4  o 153.193 3.1977  12713.14   530.575  12445.37   749.141  12982.65   751.557  151.547 4.5640  154.786 4.4829  -3.238342      6.397390  
1 1 1 -4  43  5  o 251.532 4.8303  34288.88   1315.95  35080.78   1741.90  33235.99   2008.53  254.352 6.3229  247.510 7.4923  6.842285       9.803754  
1 1 1 -4  43  6  o 44.417  2.8881  1073.26    138.185  1180.49    201.895  978.761    189.537  46.499  4.0492  42.292  4.1930  4.206978       5.828985  
1 1 1 -4  43  7  o 206.513 3.8747  23109.32   866.674  23459.14   1227.31  22761.38   1224.02  208.012 5.4475  204.892 5.5156  3.119797       7.752222  
1 1 1 -4  43  8  o 319.286 7.8953  55353.95   2730.34  55280.61   3859.95  55427.39   3862.61  318.651 11.184  319.074 11.177  -0.4238281     15.81149  
1 1 1 -4  43  9  o 167.092 3.4474  15128.39   623.913  15092.40   881.253  15164.55   883.445  166.847 4.8765  167.246 4.8770  -0.3983002     6.896801  
1 1 1 -4  43  10 o 363.770 6.2602  71804.41   2466.53  71585.98   3487.56  72023.01   3488.83  362.854 8.8740  363.964 8.8502  -1.109833      12.53288  
1 1 1 -4  43  11 o 137.916 3.1372  10306.40   468.628  10682.29   661.737  9928.22    663.749  140.373 4.3524  135.322 4.5286  5.051056       6.281091  
1 1 1 -4  43  12 o 263.115 4.7520  37542.91   1354.24  39604.31   1915.65  35483.51   1914.72  270.076 6.5488  255.601 6.9163  14.47478       9.524771  
1 1 1 -4  43  13 o 95.218  2.8209  4912.54    290.923  5124.75    412.843  4703.21    410.026  97.229  3.9203  93.141  4.0644  4.088142       5.646992  
1 1 1 -4  43  14 o 577.256 9.6411  181661.00  6027.88  184236.41  8525.36  179086.41  8524.06  579.447 13.584  571.183 13.778  8.263550       19.34870  
1 1 1 -4  43  15 o 146.606 3.2668  11649.38   518.729  11654.38   736.532  11644.45   730.691  146.576 4.6394  146.515 4.6045  0.6063843E-01  6.536437  
1 1 1 -4  43  16 o 49.821  3.4555  1352.05    185.309  1454.14    274.485  1266.56    251.194  51.524  4.9807  48.063  4.8936  3.460674       6.982477  
1 1 1 -4  43  17 o 161.210 3.9516  14096.03   689.974  15314.88   1195.08  13486.63   845.039  167.804 6.5754  157.617 4.9500  10.18774       8.230346  
1 1 1 -4  43  18 o 109.478 2.9536  6497.46    350.229  5876.56    654.935  6746.13    414.468  103.797 5.8495  111.534 3.4310  -7.736450      6.781424  
1 1 1 -4  43  19 o 169.802 3.5274  15642.78   648.729  15662.89   1298.64  15636.10   748.860  169.449 7.0759  169.715 4.0739  -0.2662048     8.164851  
1 1 1 -4  43  20 o 162.472 3.4757  14328.50   611.638  13515.34   1210.19  14607.47   708.832  157.219 7.1069  163.986 3.9909  -6.766739      8.150723  
1 1 1 -4  43  21 o 116.524 4.2319  7386.53    534.102  6768.32    755.310  8004.83    755.360  111.061 6.3050  121.069 5.7604  -10.00777      8.540213  
1 1 1 -4  43  22 o 178.380 5.1846  17389.27   1001.69  18622.61   1416.04  16153.95   1417.17  183.865 7.1106  171.018 7.6509  12.84766       10.44489  
1 1 1 -4  43  23 o 137.516 4.6064  10334.35   686.091  10934.19   987.580  9774.77    953.858  140.833 6.4744  133.105 6.6164  7.727997       9.257118  
1 1 1 -4  43  24 o 26.368  6.6706  399.849    190.649  -25.9941   423.585  508.029    213.496  22.101  9.5790  29.707  6.7842  -7.606174      11.73812  
1 1 1 -4  43  25 o 98.626  3.1631  5301.08    337.889  5737.42    690.377  5163.64    387.468  101.477 6.3125  97.232  3.6792  4.245705       7.306509  
1 1 1 -4  43  26 o 36.345  1.5715  716.727    61.863   734.672    63.939   453.767    244.756  36.796  1.6043  27.884  7.7989  8.912121       7.962255  
1 1 1 -4  43  27 o 62.081  3.8595  2124.00    258.231  2083.41    527.236  2136.81    296.189  59.629  8.3961  62.099  4.4328  -2.469925      9.494410  
1 1 1 -4  43  28 o 48.352  4.6919  1308.67    242.623  1074.59    492.190  1383.81    278.858  41.125  10.881  49.524  5.2801  -8.398731      12.09455  
1 1 1 -4  43  29 o 17.808  2.6873  177.160    50.219   707.221    456.999  170.680    50.525   33.413  10.947  17.457  2.7643  15.95594       11.29065  
1 1 1 -4  43  30 o 24.036  1.3533  314.912    35.086   318.983    35.421   102.296    255.975  24.191  1.3574  18.707  7.7418  5.483475       7.859854  
1 1 1 -4  43  31 o 28.363  7.4881  514.848    233.419  587.750    478.691  492.107    267.359  29.096  11.035  27.409  8.2956  1.687410       13.80544  
1 1 1 -4  43  32 o 33.567  9.4170  798.651    356.286  0.0000     0.0000   798.651    356.286  ?       ?       33.567  9.4170  0.000000       9.416979  
1 1 1 -4  43  33 o 25.033  9.4579  437.390    350.786  0.0000     0.0000   437.390    350.786  ?       ?       25.033  9.4579  0.000000       9.457911  
1 1 1 -4  43  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  44  1  o 248.165 6.3975  33391.99   1719.57  34650.90   2433.34  32136.17   2430.35  252.659 8.8920  243.297 9.2228  9.362122       12.81121  
1 1 1 -4  44  2  o 140.247 4.4516  10658.13   676.203  11419.74   957.558  9900.51    955.036  145.134 6.0915  135.124 6.5255  10.00937       8.926897  
1 1 1 -4  44  3  o 208.678 4.5956  23598.00   1038.70  23612.52   1271.51  23568.86   1800.89  208.708 5.6249  208.412 7.9780  0.2958832      9.761529  
1 1 1 -4  44  4  o 491.306 8.2431  131009.50  4386.46  126996.90  6203.23  135022.50  6203.56  483.154 11.854  498.254 11.495  -15.10031      16.51232  
1 1 1 -4  44  5  o 51.611  2.8157  1447.25    156.806  1481.11    212.420  1406.70    232.445  52.146  3.7868  50.771  4.2666  1.375626       5.704718  
1 1 1 -4  44  6  o 242.414 4.3710  31847.01   1147.66  31340.48   1623.19  32353.36   1622.88  240.389 6.2342  244.249 6.1346  -3.859299      8.746350  
1 1 1 -4  44  7  o 88.290  2.9302  4222.93    280.207  4684.65    517.883  4031.82    333.190  92.812  5.1723  86.261  3.5662  6.551033       6.282558  
1 1 1 -4  44  8  o 202.191 5.5386  22169.66   1212.93  21660.97   1718.64  22674.46   1712.06  199.712 7.9453  204.346 7.7354  -4.633774      11.08889  
1 1 1 -4  44  9  o 264.406 4.6851  37900.39   1341.72  39534.36   1897.94  36267.99   1897.02  269.914 6.4921  258.500 6.7755  11.41412       9.383752  
1 1 1 -4  44  10 o 476.926 7.9671  123590.60  4115.50  127684.90  5820.24  119496.30  5820.17  484.005 11.102  468.124 11.479  15.88095       15.96975  
1 1 1 -4  44  11 o 256.141 4.6408  35574.68   1287.49  35733.04   1821.08  35416.43   1820.49  256.552 6.5536  255.410 6.5808  1.141739       9.287491  
1 1 1 -4  44  12 o 263.660 4.7696  37700.77   1362.05  38153.71   1926.14  37247.74   1926.33  265.054 6.7094  261.879 6.7914  3.174927       9.546668  
1 1 1 -4  44  13 o 109.681 2.9114  6518.58    345.865  6537.94    490.174  6499.38    488.087  109.812 4.1213  109.488 4.1159  0.3240814      5.824522  
1 1 1 -4  44  14 o 131.152 3.1736  9321.96    450.813  9633.67    628.378  8991.38    647.125  133.283 4.3529  128.751 4.6405  4.531937       6.362552  
1 1 1 -4  44  15 o 266.730 5.1846  38611.46   1497.81  40379.11   1980.74  36250.85   2288.98  272.570 6.7093  258.034 8.1902  14.53571       10.58746  
1 1 1 -4  44  16 o 164.527 3.4567  14675.14   615.982  15002.29   874.872  14353.53   867.437  166.263 4.8582  162.624 4.9248  3.639450       6.917778  
1 1 1 -4  44  17 o 242.739 4.4473  31974.09   1169.25  33085.84   1656.44  30870.03   1650.71  246.688 6.1995  238.254 6.3967  8.433853       8.907989  
1 1 1 -4  44  18 o 421.179 7.1594  96675.62   3265.96  95485.35   6530.61  97072.59   3771.46  414.514 14.546  421.603 8.2592  -7.089233      16.72723  
1 1 1 -4  44  19 o 120.385 3.1643  7860.73    412.593  8146.92    807.763  7759.70    479.922  122.300 6.0980  119.575 3.7056  2.725044       7.135633  
1 1 1 -4  44  20 o 121.366 3.1110  7992.77    408.941  8661.72    808.643  7762.90    474.024  126.014 5.9247  119.562 3.6605  6.451530       6.964309  
1 1 1 -4  44  21 o 70.019  4.4060  2679.50    332.437  2619.46    466.628  2741.39    473.726  68.893  6.3242  70.502  6.2692  -1.609077      8.904940  
1 1 1 -4  44  22 o 93.089  4.2161  4722.88    425.084  5103.12    599.540  4338.51    602.792  96.330  5.7729  88.656  6.3189  7.674294       8.558925  
1 1 1 -4  44  23 o 194.742 3.8497  20673.50   811.990  22575.65   1636.88  20052.66   935.161  201.667 7.4939  191.562 4.5072  10.10515       8.744938  
1 1 1 -4  44  24 o 95.447  3.1217  4959.37    322.719  4990.93    661.008  4949.49    369.786  94.733  6.4812  95.273  3.5835  -0.5403900     7.405874  
1 1 1 -4  44  25 o 26.862  6.8406  417.698    199.556  873.030    428.729  291.766    225.469  38.208  10.177  23.228  7.6930  14.97994       12.75790  
1 1 1 -4  44  26 o 140.567 3.3727  10796.25   513.492  10704.48   1031.28  10826.50   592.108  138.037 6.8978  140.559 3.8893  -2.522324      7.918771  
1 1 1 -4  44  27 o 126.371 3.2839  8737.46    449.470  8748.37    896.252  8733.79    519.524  124.319 6.6806  126.125 3.8031  -1.805855      7.687274  
1 1 1 -4  44  28 o 22.323  1.7235  272.392    41.350   271.117    41.963   315.076    242.776  22.267  1.7541  23.733  7.9853  -1.466181      8.175687  
1 1 1 -4  44  29 o 14.444  3.0054  118.562    45.488   105.702    46.254   497.271    251.006  13.607  3.1934  28.600  7.8601  -14.99379      8.484028  
1 1 1 -4  44  30 o 17.515  1.7484  168.758    32.725   169.535    32.978   118.774    264.597  17.554  1.7581  19.160  7.8946  -1.605736      8.088021  
1 1 1 -4  44  31 o 6.0232  2.5490  1.6741     28.704   0.0000     0.0000   1.6741     28.704   ?       ?       6.0232  2.5490  0.000000       2.548968  
1 1 1 -4  44  32 o 25.701  9.7775  440.139    376.525  0.0000     0.0000   440.139    376.525  ?       ?       25.701  9.7775  0.000000       9.777457  
1 1 1 -4  44  33 o 30.000  9.6820  679.689    358.163  0.0000     0.0000   679.689    358.163  ?       ?       30.000  9.6820  0.000000       9.681984  
1 1 1 -4  44  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  45  1  o 228.970 6.0315  28424.91   1495.79  28301.70   2116.55  28547.85   2114.18  228.339 8.5581  229.333 8.5115  -0.9937286     12.07008  
1 1 1 -4  45  2  o 81.498  3.9053  3598.75    344.726  3654.60    489.698  3543.89    485.364  81.920  5.5519  80.661  5.5901  1.258720       7.878637  
1 1 1 -4  45  3  o 431.368 10.327  101131.60  4824.83  99611.54   6822.79  102652.20  6823.89  427.324 14.741  433.843 14.522  -6.519379      20.69290  
1 1 1 -4  45  4  o 120.660 3.3351  7887.48    435.853  7662.19    530.400  8355.96    764.846  118.912 4.1182  124.145 5.6882  -5.233147      7.022459  
1 1 1 -4  45  5  o 335.930 5.8122  61190.95   2114.75  61835.13   2991.43  60547.41   2989.98  337.483 8.1838  333.942 8.2666  3.541077       11.63235  
1 1 1 -4  45  6  f 411.078 6.9765  91694.48   3106.22  92872.55   4393.41  90517.00   4392.30  413.313 9.8141  408.018 9.9390  5.295410       13.96787  
1 1 1 -4  45  7  o 238.130 5.0561  30743.36   1304.06  33179.15   2261.78  29530.43   1596.06  247.137 8.4497  233.312 6.3160  13.82460       10.54938  
1 1 1 -4  45  8  o 253.126 5.3157  34744.55   1457.36  34431.31   1784.72  35371.38   2524.72  251.897 6.5415  255.070 9.1387  -3.173462      11.23863  
1 1 1 -4  45  9  o 126.141 3.0134  8620.84    411.703  8368.11    580.742  8876.17    583.741  124.248 4.3154  127.967 4.2116  -3.719063      6.029977  
1 1 1 -4  45  10 o 295.721 6.0535  47454.91   1938.90  47815.06   2352.14  46691.36   3424.83  296.703 7.3193  292.689 10.803  4.014465       13.04942  
1 1 1 -4  45  11 o 247.555 4.5328  33228.85   1215.36  32733.95   1717.83  33724.86   1719.73  245.550 6.4591  249.247 6.3703  -3.697327      9.071960  
1 1 1 -4  45  12 o 165.887 3.4707  14914.30   623.589  15003.08   883.453  14826.15   880.331  166.316 4.9043  165.332 4.9161  0.9842224      6.944086  
1 1 1 -4  45  13 o 113.357 2.9256  6962.95    359.198  7177.84    515.955  6760.86    500.369  115.059 4.1402  111.667 4.1371  3.391930       5.852951  
1 1 1 -4  45  14 o 170.164 3.5228  15695.56   649.277  15325.78   918.972  16064.13   917.461  168.065 5.0484  172.074 4.9227  -4.008896      7.051202  
1 1 1 -4  45  15 o 111.866 3.0209  6782.04    366.020  6734.32    528.436  6826.04    507.462  111.425 4.3786  112.189 4.1762  -0.7642136     6.050877  
1 1 1 -4  45  16 o 289.573 6.0770  45569.39   1905.97  45370.22   2701.22  45766.87   2689.72  288.425 8.6468  289.701 8.5721  -1.275574      12.17574  
1 1 1 -4  45  17 o 321.397 5.6135  56129.28   1954.09  57528.78   2765.45  54733.71   2761.56  324.854 7.8597  316.814 8.0478  8.040436       11.24912  
1 1 1 -4  45  18 o 164.551 3.5740  14688.04   636.972  13315.19   1478.30  15001.03   705.859  155.778 8.7976  166.267 3.9196  -10.48923      9.631288  
1 1 1 -4  45  19 o 209.829 4.0388  23908.14   917.886  23751.38   1830.62  23960.79   1060.88  208.288 8.1145  209.965 4.6650  -1.677597      9.359900  
1 1 1 -4  45  20 o 51.427  5.0919  1454.33    279.899  1445.80    390.441  1463.36    401.462  50.873  7.2947  51.152  7.4662  -0.2788239     10.43828  
1 1 1 -4  45  21 o 126.686 4.4117  8740.98    605.348  9009.50    853.915  8469.70    858.284  128.276 6.1461  124.157 6.4043  4.118996       8.876372  
1 1 1 -4  45  22 o 130.076 3.1999  9198.40    450.815  8577.21    929.255  9389.60    515.548  124.548 6.9158  131.350 3.6239  -6.801926      7.807710  
1 1 1 -4  45  23 o 82.670  2.6954  3713.47    241.343  3307.59    583.191  3797.34    265.109  76.971  7.0746  83.573  2.9288  -6.601982      7.656837  
1 1 1 -4  45  24 o 93.351  2.8514  4740.70    288.303  4008.96    491.482  5124.58    355.985  85.200  5.3532  96.966  3.3895  -11.76647      6.336060  
1 1 1 -4  45  25 o 24.941  6.9426  358.145    194.444  -94.5873   421.887  480.254    219.103  21.079  9.3342  28.750  7.0826  -7.670311      11.71705  
1 1 1 -4  45  26 o 47.764  4.7309  1269.50    241.527  1198.30    479.868  1293.66    279.513  44.428  10.189  48.008  5.4734  -3.579617      11.56628  
1 1 1 -4  45  27 o 38.540  5.2650  840.087    214.028  708.258    464.356  875.647    241.173  34.136  11.025  39.169  5.8652  -5.033691      12.48809  
1 1 1 -4  45  28 o 51.116  1.9993  1421.56    110.686  1436.41    163.919  1409.12    150.065  51.156  2.9712  50.716  2.7421  0.4393768      4.043175  
1 1 1 -4  45  29 o ?       ?       -319.2398  33.081   -332.9397  33.357   498.659    257.736  ?       ?       28.570  8.0074  0.000000       8.007449  
1 1 1 -4  45  30 o 18.498  2.1445  189.508    42.168   184.442    42.782   362.086    249.702  18.233  2.2117  24.332  8.0977  -6.098934      8.394293  
1 1 1 -4  45  31 o 14.706  6.7678  -120.4060  248.256  0.0000     0.0000   -120.4060  248.256  ?       ?       14.706  6.7678  0.000000       6.767756  
1 1 1 -4  45  32 o 26.187  9.4276  471.367    341.385  0.0000     0.0000   471.367    341.385  ?       ?       26.187  9.4276  0.000000       9.427556  
1 1 1 -4  45  33 o 26.368  9.5649  510.287    352.322  0.0000     0.0000   510.287    352.322  ?       ?       26.368  9.5649  0.000000       9.564917  
1 1 1 -4  45  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  46  1  o 656.148 10.922  234115.50  7762.14  229631.59  10977.70 238598.80  10976.95 648.441 15.630  661.086 15.330  -12.64496      21.89362  
1 1 1 -4  46  2  o 352.209 8.5815  67353.97   3273.68  62290.14   4629.15  72420.13   4630.21  338.201 12.637  364.808 11.718  -26.60736      17.23434  
1 1 1 -4  46  3  o 81.314  3.8780  3582.65    341.542  3702.42    480.249  3460.07    485.826  82.464  5.4068  79.685  5.6659  2.778679       7.831769  
1 1 1 -4  46  4  o 234.712 6.1288  29876.46   1558.05  29111.39   2201.74  30643.88   2205.10  231.513 8.7805  237.545 8.5706  -6.031952      12.27000  
1 1 1 -4  46  5  o 79.081  3.1645  3388.09    271.043  3612.19    334.244  2957.74    463.192  81.647  3.7797  73.620  5.8574  8.027489       6.971005  
1 1 1 -4  46  6  o 253.070 4.5944  34714.94   1259.32  33447.19   1780.79  35983.15   1781.11  248.285 6.6220  257.543 6.3852  -9.257538      9.199011  
1 1 1 -4  46  7  o 476.854 9.1996  123619.70  4751.45  129941.10  8230.27  120459.60  5819.13  487.139 15.599  470.229 11.426  16.90976       19.33564  
1 1 1 -4  46  8  o 269.186 5.5030  39299.42   1604.43  37248.13   1963.93  43415.64   2782.03  261.954 6.9220  282.573 9.0899  -20.61829      11.42546  
1 1 1 -4  46  9  o 94.076  2.5867  4794.54    263.572  4749.84    391.916  4831.46    356.142  93.616  3.8652  94.424  3.4823  -0.8079224     5.202561  
1 1 1 -4  46  10 o 293.024 5.1335  46569.56   1629.26  46445.47   2302.95  46693.90   2305.28  292.412 7.2714  293.194 7.2594  -0.7824402     10.27483  
1 1 1 -4  46  11 o 88.040  2.8066  4199.68    267.632  4194.77    378.575  4204.58    378.402  87.968  3.9734  88.071  3.9669  -0.1029663     5.614632  
1 1 1 -4  46  12 o 259.385 4.7035  36489.29   1321.40  37157.95   1869.55  35821.80   1867.92  261.566 6.5991  256.807 6.7155  4.758942       9.415245  
1 1 1 -4  46  13 o 15.982  5.9140  107.060    135.719  35.201     204.635  163.491    181.340  16.663  6.9110  19.040  6.8689  -2.377163      9.743918  
1 1 1 -4  46  14 o 34.504  4.2929  655.593    156.964  588.183    226.447  717.936    217.769  32.308  6.6913  35.912  5.7960  -3.604115      8.852498  
1 1 1 -4  46  15 o 266.835 4.8542  38636.88   1402.90  38795.40   1986.43  38479.13   1981.57  267.112 6.8661  266.019 6.8775  1.092773       9.718170  
1 1 1 -4  46  16 o 165.347 3.5084  14823.44   628.319  14920.59   896.269  14729.57   881.080  165.786 4.9914  164.726 4.9384  1.060455       7.021482  
1 1 1 -4  46  17 o 17.159  2.1916  162.129    39.799   407.736    267.080  156.551    40.248   27.279  8.2990  16.847  2.2630  10.43271       8.602062  
1 1 1 -4  46  18 o 153.832 3.3643  12835.52   560.549  11593.67   1113.77  13256.78   648.696  145.814 7.0523  156.299 3.8319  -10.48586      8.026066  
1 1 1 -4  46  19 o 142.859 4.6146  11094.31   714.014  11012.53   1006.02  11177.33   1013.56  142.060 6.5383  143.119 6.5386  -1.058990      9.246716  
1 1 1 -4  46  20 o 109.314 4.2534  6498.88    503.598  6525.53    708.575  6471.68    715.871  109.145 6.0172  108.674 6.1066  0.4711304      8.573072  
1 1 1 -4  46  21 o 69.224  3.1241  2602.98    234.235  2280.27    455.853  2718.75    273.037  64.117  6.6614  70.623  3.5812  -6.506187      7.563005  
1 1 1 -4  46  22 o 152.841 3.3753  12707.81   558.762  11717.23   1105.55  13047.67   647.558  145.689 7.0062  154.764 3.8631  -9.075836      8.000646  
1 1 1 -4  46  23 o 141.053 3.2868  10829.75   502.147  11573.17   1008.73  10584.84   578.982  144.777 6.4329  139.321 3.8369  5.456268       7.490243  
1 1 1 -4  46  24 o 92.372  3.1223  4647.18    312.379  5149.19    633.475  4485.89    359.073  96.287  6.1058  90.660  3.6568  5.626907       7.117098  
1 1 1 -4  46  25 o 44.907  4.5134  1118.01    216.551  1169.00    447.582  1102.43    247.440  44.324  9.6008  44.410  5.2455  -0.8563995E-01 10.94032  
1 1 1 -4  46  26 o 137.094 3.3372  10273.51   495.531  10138.71   995.049  10317.96   571.428  134.037 6.8772  137.182 3.8459  -3.145126      7.879529  
1 1 1 -4  46  27 o 120.744 3.2606  7980.50    426.414  8916.62    859.453  7674.81    491.125  125.645 6.3359  118.167 3.8373  7.477264       7.407342  
1 1 1 -4  46  28 o 49.829  4.4757  1386.57    238.973  1562.99    485.619  1330.20    274.511  50.686  9.1839  48.500  5.3126  2.186066       10.60979  
1 1 1 -4  46  29 o 15.655  6.7556  4.5040     208.835  -808.8915  433.565  250.223    238.300  15.110  7.4452  21.744  7.8696  -6.633669      10.83336  
1 1 1 -4  46  30 o 59.731  2.6352  1961.66    170.484  2514.27    538.566  1900.12    179.726  63.516  8.0066  58.720  2.8259  4.795689       8.490643  
1 1 1 -4  46  31 o 39.306  9.0303  1041.46    376.363  0.0000     0.0000   1041.46    376.363  ?       ?       39.306  9.0303  0.000000       9.030324  
1 1 1 -4  46  32 o 58.582  6.2674  2099.39    391.496  0.0000     0.0000   2099.39    391.496  ?       ?       58.582  6.2674  0.000000       6.267384  
1 1 1 -4  46  33 o 34.465  9.7547  900.620    380.548  0.0000     0.0000   900.620    380.548  ?       ?       34.465  9.7547  0.000000       9.754735  
1 1 1 -4  47  1  o 147.528 3.2802  11791.42   524.144  11280.43   767.466  12238.10   717.552  144.260 4.9118  150.273 4.4086  -6.012054      6.600148  
1 1 1 -4  47  2  o 324.933 5.5138  57243.93   1940.49  58515.93   2745.18  55973.61   2743.37  328.342 7.7192  321.114 7.8878  7.227875       11.03645  
1 1 1 -4  47  3  o 556.371 13.139  168770.50  7917.66  164386.41  11196.70 173155.41  11197.81 547.138 18.894  561.740 18.405  -14.60175      26.37636  
1 1 1 -4  47  4  o 254.547 6.5119  35150.10   1795.34  33455.21   2536.80  36850.86   2541.20  248.098 9.4405  260.427 9.0091  -12.32869      13.04941  
1 1 1 -4  47  5  o 279.778 7.0737  42481.28   2143.55  44483.45   3030.52  40476.71   3032.34  286.016 9.7827  272.775 10.264  13.24112       14.17900  
1 1 1 -4  47  6  f 99.363  3.2529  5349.31    350.079  4969.34    427.863  6118.87    608.908  95.755  4.1255  106.229 5.2922  -10.47334      6.710239  
1 1 1 -4  47  7  o 275.493 6.8993  41195.17   2058.66  37113.53   2908.99  45290.26   2913.77  261.128 10.285  288.592 9.3218  -27.46408      13.88108  
1 1 1 -4  47  8  o 381.456 6.5218  78970.66   2694.53  81629.95   3810.80  76311.78   3810.49  387.434 9.0813  374.546 9.3930  12.88763       13.06519  
1 1 1 -4  47  9  o 258.552 4.6695  36246.00   1307.64  36029.42   1848.74  36462.84   1849.81  257.622 6.6256  259.170 6.5898  -1.548248      9.344728  
1 1 1 -4  47  10 o 307.465 5.4119  51283.90   1802.27  50284.36   2547.55  52285.39   2550.03  304.182 7.7325  310.195 7.5900  -6.013153      10.83509  
1 1 1 -4  47  11 o 139.214 3.1514  10502.13   475.173  10472.48   669.220  10532.29   674.809  138.974 4.4460  139.369 4.4704  -0.3953094     6.304818  
1 1 1 -4  47  12 o 131.723 3.0960  9402.52    441.706  9408.66    622.394  9396.29    626.965  131.724 4.3625  131.636 4.3974  0.8799744E-01  6.194220  
1 1 1 -4  47  13 o 234.417 4.3551  29799.95   1105.76  31118.11   1564.26  28483.40   1563.30  239.394 6.0329  229.008 6.3026  10.38623       8.724621  
1 1 1 -4  47  14 o 284.576 5.0866  43946.91   1567.81  44415.45   2219.17  43480.01   2215.27  285.801 7.1690  282.765 7.2332  3.035980       10.18397  
1 1 1 -4  47  15 o 190.627 3.7828  19704.52   781.041  19965.28   1106.02  19445.14   1103.10  191.764 5.3251  189.245 5.3817  2.519485       7.570947  
1 1 1 -4  47  16 o 152.484 3.3506  12606.03   553.381  12980.72   785.464  12236.77   779.764  154.651 4.6893  150.146 4.7949  4.504608       6.706724  
1 1 1 -4  47  17 o 116.961 3.1385  7417.08    397.592  7210.49    573.041  7608.85    552.104  115.243 4.5909  118.402 4.3052  -3.158630      6.293756  
1 1 1 -4  47  18 o 62.004  4.6423  2100.23    309.496  2224.16    432.112  1969.68    443.497  63.584  6.3598  59.694  6.9920  3.890285       9.451682  
1 1 1 -4  47  19 o 61.575  4.6304  2073.33    306.552  2084.06    428.443  2062.08    438.802  61.443  6.5385  61.077  6.7458  0.3660583      9.394565  
1 1 1 -4  47  20 o 133.723 4.4928  9733.42    650.717  9859.13    918.159  9606.55    922.360  134.252 6.3143  132.497 6.4272  1.754715       9.010000  
1 1 1 -4  47  21 o 92.617  2.9761  4659.10    298.541  5022.98    588.543  4533.03    346.417  95.625  5.7085  91.304  3.5030  4.321495       6.697592  
1 1 1 -4  47  22 o 58.237  3.4597  1852.20    217.244  1834.79    410.057  1859.00    256.145  57.302  6.7356  58.249  4.0859  -0.9472504     7.877969  
1 1 1 -4  47  23 o 139.229 3.3272  10555.11   501.742  9975.70    1065.38  10720.24   568.766  133.749 7.3829  140.212 3.7452  -6.462860      8.278539  
1 1 1 -4  47  24 o 48.550  4.1281  1298.60    215.016  1342.36    446.961  1285.42    245.260  47.976  8.9301  48.167  4.7637  -0.1905632     10.12125  
1 1 1 -4  47  25 o 23.927  1.6490  312.096    42.473   310.456    43.223   358.112    228.933  23.860  1.6833  25.101  7.6929  -1.240639      7.874904  
1 1 1 -4  47  26 o 56.964  3.9697  1789.68    243.387  1651.86    492.481  1834.22    279.966  52.844  8.9222  57.516  4.5308  -4.671780      10.00667  
1 1 1 -4  47  27 o 75.738  3.4606  3145.43    283.879  3108.14    573.429  3157.53    326.725  73.432  7.3069  75.625  4.0031  -2.193336      8.331561  
1 1 1 -4  47  28 o 17.170  7.0139  78.407     206.622  -722.8143  423.933  328.040    236.631  15.489  7.5767  23.966  7.8785  -8.476993      10.93055  
1 1 1 -4  47  29 o 19.966  7.3814  200.239    211.324  67.389     436.633  240.877    241.492  22.378  9.7122  21.503  7.9007  0.8749275      12.51988  
1 1 1 -4  47  30 o 38.127  6.0340  868.612    240.881  669.121    480.578  935.547    278.374  30.857  11.174  39.115  6.8187  -8.257967      13.09053  
1 1 1 -4  47  31 o 16.419  7.5594  -125.4040  310.198  0.0000     0.0000   -125.4040  310.198  ?       ?       16.419  7.5594  0.000000       7.559412  
1 1 1 -4  47  32 o 22.221  8.9339  276.517    329.157  0.0000     0.0000   276.517    329.157  ?       ?       22.221  8.9339  0.000000       8.933904  
1 1 1 -4  47  33 o 18.792  8.2112  95.767     316.599  0.0000     0.0000   95.767     316.599  ?       ?       18.792  8.2112  0.000000       8.211222  
1 1 1 -4  48  1  o 283.083 5.0192  43441.80   1538.94  42755.29   2176.59  44128.04   2176.17  280.691 7.1594  285.171 7.0456  -4.479736      10.04482  
1 1 1 -4  48  2  o 222.540 4.1080  26838.42   990.164  27133.71   1401.34  26544.00   1399.27  223.686 5.7841  221.239 5.8394  2.447006       8.219156  
1 1 1 -4  48  3  o 273.955 4.8208  40683.69   1430.44  39346.95   2023.28  42019.54   2022.60  269.277 6.9372  278.290 6.7103  -9.012878      9.651628  
1 1 1 -4  48  4  o 224.064 5.9011  27229.40   1432.10  25692.50   2022.81  28773.87   2027.78  217.466 8.5880  230.175 8.1338  -12.70915      11.82849  
1 1 1 -4  48  5  o 242.723 6.3008  31962.23   1656.44  31991.90   2340.80  31932.48   2344.32  242.620 8.9077  242.393 8.9295  0.2274933      12.61284  
1 1 1 -4  48  6  o 155.420 4.6692  13094.76   785.994  13176.89   1108.14  13011.60   1115.02  155.828 6.5657  154.844 6.6484  0.9844360      9.343948  
1 1 1 -4  48  7  o 123.916 4.2104  8322.99    565.099  8869.55    797.256  7771.15    801.100  127.872 5.7564  119.516 6.2100  8.355881       8.467614  
1 1 1 -4  48  8  f 56.043  2.9461  1706.39    178.203  1884.58    253.424  1532.10    250.634  58.830  4.0010  52.979  4.4079  5.851158       5.952897  
1 1 1 -4  48  9  o 147.125 3.2280  11729.23   514.383  11751.98   726.702  11706.39   728.194  147.224 4.5573  146.937 4.5756  0.2865143      6.457927  
1 1 1 -4  48  10 o 450.290 7.5224  110186.20  3668.77  109149.40  5187.70  111223.70  5189.16  447.375 10.706  451.635 10.608  -4.259674      15.07162  
1 1 1 -4  48  11 o 272.977 4.8604  40416.36   1437.03  40937.66   2031.23  39893.98   2033.31  274.526 6.8313  270.993 6.9275  3.533661       9.729198  
1 1 1 -4  48  12 o 136.975 3.1931  10167.91   473.727  9969.88    651.100  10390.65   690.540  135.590 4.4335  138.415 4.6061  -2.824188      6.393168  
1 1 1 -4  48  13 o 416.661 7.0957  94367.78   3202.18  92867.66   4528.24  95868.34   4528.90  412.539 10.134  419.201 9.9747  -6.661346      14.21968  
1 1 1 -4  48  14 o 208.678 4.0373  23614.36   912.519  23795.57   1293.83  23435.00   1287.19  209.338 5.7064  207.744 5.7206  1.593536       8.080114  
1 1 1 -4  48  15 o 440.267 7.4809  105518.20  3567.31  107026.80  5045.39  104010.20  5044.48  442.280 10.532  435.938 10.684  6.342041       15.00245  
1 1 1 -4  48  16 o 211.887 4.0786  24356.34   936.012  25162.84   1328.17  23560.54   1319.32  215.187 5.6986  208.204 5.8505  6.983170       8.167120  
1 1 1 -4  48  17 f 121.627 3.1978  8021.63    421.266  8501.57    598.440  7550.18    593.116  125.139 4.4153  117.914 4.6441  7.225136       6.407999  
1 1 1 -4  48  18 o 90.167  4.2183  4415.39    411.966  4621.81    578.917  4203.63    586.371  91.949  5.8433  87.617  6.2193  4.332108       8.533728  
1 1 1 -4  48  19 o 139.369 4.8046  10569.73   725.262  10485.08   1083.34  10638.49   976.333  138.200 7.2630  139.552 6.4594  -1.351501      9.719799  
1 1 1 -4  48  20 o 119.936 3.0745  7810.16    399.387  7690.10    791.971  7851.11    462.504  118.388 6.1979  120.199 3.5526  -1.810074      7.143854  
1 1 1 -4  48  21 o 127.569 3.1272  8843.57    432.091  8482.63    857.185  8966.53    500.304  124.103 6.3989  128.382 3.5980  -4.278412      7.341046  
1 1 1 -4  48  22 o 185.012 3.9338  18660.36   788.281  18614.25   1915.13  18669.76   864.949  181.473 9.7796  184.934 4.3182  -3.460312      10.69053  
1 1 1 -4  48  23 o 140.903 3.3655  10814.23   513.618  10878.59   1014.94  10792.07   595.500  140.133 6.6870  140.616 3.9100  -0.4835815     7.746217  
1 1 1 -4  48  24 o 41.382  4.8429  953.000    212.958  663.458    425.650  1049.68    245.954  33.767  10.513  43.335  5.3541  -9.567947      11.79797  
1 1 1 -4  48  25 o 104.303 3.1977  5936.19    361.251  6021.36    719.552  5907.49    417.708  103.684 6.4392  103.915 3.7113  -0.2310562     7.432175  
1 1 1 -4  48  26 o 52.045  4.1200  1498.09    230.346  1306.86    470.032  1558.54    264.253  46.509  9.6472  52.941  4.6559  -6.431713      10.71191  
1 1 1 -4  48  27 o 26.542  7.3815  416.546    219.911  280.468    428.189  465.298    256.294  25.900  10.264  27.963  8.0358  -2.062654      13.03519  
1 1 1 -4  48  28 o 41.244  5.4314  970.159    236.726  736.610    462.749  1052.94    275.504  34.116  11.005  42.713  6.1310  -8.597004      12.59729  
1 1 1 -4  48  29 o 24.920  7.6473  377.059    226.146  403.814    445.149  367.752    262.550  27.161  10.553  24.810  8.3043  2.351717       13.42896  
1 1 1 -4  48  30 f 3.6801  1.8400  -83.3683   30.506   -213.0194  437.284  -82.7343   30.581   18.782  8.7594  3.6982  1.8480  15.08335       8.952229  
1 1 1 -4  48  31 o 22.251  8.8662  262.763    321.149  0.0000     0.0000   262.763    321.149  ?       ?       22.251  8.8662  0.000000       8.866175  
1 1 1 -4  48  32 o 21.050  8.9487  185.972    356.428  0.0000     0.0000   185.972    356.428  ?       ?       21.050  8.9487  0.000000       8.948730  
1 1 1 -4  48  33 o 25.192  10.482  443.248    472.846  0.0000     0.0000   443.248    472.846  ?       ?       25.192  10.482  0.000000       10.48163  
1 1 1 -4  49  1  o 281.993 5.0620  43111.23   1546.09  42657.25   2187.53  43564.36   2185.46  280.347 7.2042  283.319 7.1219  -2.972198      10.13030  
1 1 1 -4  49  2  o 70.364  2.6321  2682.04    200.599  2612.38    285.964  2749.53    281.468  69.327  3.8232  71.139  3.6655  -1.812080      5.296438  
1 1 1 -4  49  3  o 482.356 8.0673  126362.10  4214.67  121816.30  5960.59  130907.50  5960.31  472.871 11.638  490.300 11.224  -17.42935      16.16829  
1 1 1 -4  49  4  o 176.846 3.5624  16946.45   682.352  16478.37   964.028  17416.39   965.958  174.334 5.1055  179.232 4.9759  -4.898529      7.129220  
1 1 1 -4  49  5  o 75.847  3.1065  3116.83    255.199  3677.37    434.536  2821.69    315.303  82.212  4.9023  72.041  4.0574  10.17082       6.363603  
1 1 1 -4  49  6  o 354.081 8.6609  68145.98   3321.53  70907.94   4696.62  65382.32   4698.08  360.573 12.026  346.134 12.532  14.43866       17.36854  
1 1 1 -4  49  7  o 232.746 6.1104  29393.66   1540.37  29943.95   2177.30  28842.24   2179.52  234.694 8.5654  230.318 8.7370  4.375778       12.23522  
1 1 1 -4  49  8  o 217.572 5.8156  25683.93   1370.47  25881.50   1937.57  25486.13   1938.69  218.204 8.1983  216.524 8.2667  1.679886       11.64261  
1 1 1 -4  49  9  o 161.916 3.9372  14210.67   690.481  13927.80   846.798  14771.86   1192.76  160.257 4.8786  164.941 6.6766  -4.683655      8.269053  
1 1 1 -4  49  10 o 344.984 5.9639  64595.82   2228.44  63618.96   3150.46  65573.95   3152.51  341.973 8.5057  347.211 8.3829  -5.237030      11.94238  
1 1 1 -4  49  11 o 262.143 4.7424  37270.53   1346.50  38203.46   1905.43  36339.92   1903.05  265.214 6.6333  258.646 6.7932  6.567780       9.494601  
1 1 1 -4  49  12 o 28.697  4.9620  459.535    148.648  472.037    207.559  446.371    212.986  28.900  6.7525  28.112  7.0170  0.7882919      9.738335  
1 1 1 -4  49  13 o 118.585 3.0438  7620.99    390.948  7211.32    554.626  8025.54    551.157  115.308 4.4409  121.654 4.1829  -6.345963      6.100701  
1 1 1 -4  49  14 o 326.409 5.7069  57859.58   2017.58  56972.78   2853.35  58746.32   2853.24  323.432 8.1452  328.456 8.0203  -5.023834      11.43110  
1 1 1 -4  49  15 o 198.497 3.9396  21369.32   846.984  21896.78   1205.01  20854.29   1190.74  200.786 5.5410  195.941 5.6108  4.845184       7.885649  
1 1 1 -4  49  16 o 279.126 4.9967  42311.53   1510.61  42358.48   2141.69  42265.05   2131.00  278.885 7.0902  278.584 7.0625  0.3016357      10.00750  
1 1 1 -4  49  17 o 198.481 5.4845  21421.22   1179.04  20665.21   1662.98  22185.37   1671.90  194.525 7.8930  201.602 7.6567  -7.077515      10.99658  
1 1 1 -4  49  18 o 214.467 5.8081  25053.97   1349.17  24917.38   1905.66  25191.23   1910.37  213.257 8.2503  214.433 8.2254  -1.176163      11.65011  
1 1 1 -4  49  19 o 242.747 4.4890  32055.69   1180.24  32696.39   2358.02  31841.53   1363.30  243.543 8.9393  241.747 5.2067  1.795486       10.34504  
1 1 1 -4  49  20 o 59.829  3.2729  1950.30    211.283  1400.72    414.510  2143.21    245.581  49.815  7.9499  62.684  3.6327  -12.86924      8.740557  
1 1 1 -4  49  21 o 105.530 2.8858  6049.67    329.845  5315.09    669.620  6285.01    379.017  98.147  6.3329  107.518 3.2547  -9.371178      7.120296  
1 1 1 -4  49  22 o 55.012  3.5663  1654.91    211.345  1890.32    459.767  1591.84    237.977  57.918  7.5057  53.862  4.1103  4.055901       8.557504  
1 1 1 -4  49  23 o 56.400  3.7270  1742.90    226.390  1660.53    468.011  1768.06    258.667  53.833  8.2930  56.711  4.2419  -2.878113      9.314904  
1 1 1 -4  49  24 o 47.898  2.1416  1246.05    111.103  1270.86    124.212  1146.77    248.471  48.356  2.3716  45.360  5.1486  2.996250       5.668594  
1 1 1 -4  49  25 o 84.240  3.3911  3877.01    309.403  4362.68    600.760  3701.69    360.955  88.200  6.3308  82.158  4.0563  6.041931       7.518856  
1 1 1 -4  49  26 o 48.178  2.3248  1263.26    121.309  1243.71    136.844  1334.99    262.137  47.694  2.6596  48.844  5.0268  -1.149628      5.687060  
1 1 1 -4  49  27 o 14.973  6.5334  -23.5721   199.794  -344.7158  406.113  78.973     229.486  17.785  8.3422  17.931  7.3660  -0.1458778     11.12881  
1 1 1 -4  49  28 o 71.112  3.6112  2793.14    277.231  2439.78    560.011  2907.85    319.072  63.864  8.2916  72.364  4.0877  -8.499794      9.244421  
1 1 1 -4  49  29 o 18.850  7.2932  159.327    211.900  78.897     435.090  184.337    242.619  22.237  9.6732  20.071  7.7932  2.166740       12.42195  
1 1 1 -4  49  30 o 31.666  6.7963  620.697    226.122  816.490    466.437  560.545    258.533  33.468  11.064  29.476  7.9261  3.992016       13.61017  
1 1 1 -4  49  31 o 32.274  9.1423  721.513    334.118  0.0000     0.0000   721.513    334.118  ?       ?       32.274  9.1423  0.000000       9.142268  
1 1 1 -4  49  32 o 35.635  8.9906  896.530    346.991  0.0000     0.0000   896.530    346.991  ?       ?       35.635  8.9906  0.000000       8.990600  
1 1 1 -4  49  33 o 20.151  9.2243  19.672     452.865  0.0000     0.0000   19.672     452.865  ?       ?       20.151  9.2243  0.000000       9.224303  
1 1 1 -4  50  1  o 139.893 3.1084  10602.80   470.979  10402.63   668.127  10800.51   664.023  138.535 4.4528  141.163 4.3430  -2.627563      6.220055  
1 1 1 -4  50  2  o 311.421 5.4855  52592.81   1850.26  52211.92   2617.45  52973.24   2615.88  310.078 7.7936  312.337 7.7326  -2.259155      10.97876  
1 1 1 -4  50  3  o 151.171 3.1751  12381.64   519.877  12695.71   738.188  12072.57   732.280  153.042 4.4533  149.236 4.5304  3.805527       6.352672  
1 1 1 -4  50  4  o 290.455 5.0661  45742.95   1593.77  44745.55   2253.70  46740.76   2254.18  287.089 7.2479  293.435 7.0926  -6.346222      10.14083  
1 1 1 -4  50  5  o 110.979 2.9068  6672.76    349.401  6674.32    497.487  6671.25    490.836  110.969 4.1391  110.945 4.0847  0.2429199E-01  5.815266  
1 1 1 -4  50  6  o 101.519 3.9106  5585.73    429.990  5126.74    602.091  6063.51    614.287  97.044  5.7539  105.597 5.3889  -8.552780      7.883362  
1 1 1 -4  50  7  f 228.120 6.0133  28237.39   1485.74  27980.63   2099.74  28494.85   2102.57  226.852 8.5458  228.934 8.4795  -2.082077      12.03878  
1 1 1 -4  50  8  o 251.965 6.5001  34464.61   1773.90  34927.35   2508.42  34001.67   2508.93  253.352 9.1413  249.956 9.2673  3.396378       13.01714  
1 1 1 -4  50  9  o 208.998 5.6554  23701.05   1280.19  24432.23   1810.27  22969.56   1810.65  212.003 7.8837  205.534 8.1335  6.468750       11.32729  
1 1 1 -4  50  10 o 436.735 8.5433  103778.40  4041.24  104296.10  4948.86  102742.20  7001.42  437.317 10.448  432.474 14.947  4.842957       18.23671  
1 1 1 -4  50  11 o 265.193 5.0738  38152.83   1457.34  38176.01   1924.84  38121.70   2230.84  265.100 6.7037  264.771 7.7791  0.3290405      10.26907  
1 1 1 -4  50  12 o 296.126 5.2440  47583.82   1681.94  49149.50   2377.99  46016.46   2379.27  300.678 7.3019  290.897 7.5515  9.780121       10.50446  
1 1 1 -4  50  13 o 83.453  2.8613  3774.08    258.628  3911.26    362.119  3631.25    369.504  84.932  3.9365  81.722  4.1886  3.210136       5.748125  
1 1 1 -4  50  14 o 73.884  3.2315  2959.06    258.596  3071.98    375.582  2857.28    356.578  75.101  4.6400  72.426  4.5690  2.675148       6.511995  
1 1 1 -4  50  15 o 297.644 5.2818  48110.58   1702.76  47647.24   2409.94  48572.48   2406.19  295.786 7.5224  298.663 7.4384  -2.876648      10.57905  
1 1 1 -4  50  16 o 148.445 4.6632  11964.25   749.747  11650.99   1054.81  12284.14   1065.89  146.294 6.6570  150.229 6.5507  -3.934845      9.339549  
1 1 1 -4  50  17 o 20.193  7.4716  173.154    216.610  92.409     289.731  275.482    326.161  20.521  8.3354  25.035  9.1843  -4.514067      12.40286  
1 1 1 -4  50  18 o 147.307 3.3258  11775.70   530.626  12246.09   759.011  11326.02   742.111  150.070 4.6697  144.312 4.7478  5.757431       6.659408  
1 1 1 -4  50  19 o 63.195  3.2120  2173.66    219.125  2296.09    424.747  2129.26    255.792  64.535  6.1511  62.481  3.7978  2.054070       7.229069  
1 1 1 -4  50  20 o 153.369 3.4720  12786.52   576.745  13508.46   1104.01  12515.54   676.380  156.903 6.4964  151.619 4.1188  5.283859       7.692002  
1 1 1 -4  50  21 o 37.134  4.3967  762.633    173.400  960.846    337.771  691.702    202.057  40.978  7.8966  35.129  5.4902  5.849182       9.617686  
1 1 1 -4  50  22 o 117.614 3.0811  7523.95    392.500  8318.46    807.102  7277.85    449.194  122.904 6.0631  115.585 3.5881  7.318817       7.045234  
1 1 1 -4  50  23 o 81.313  3.1864  3601.08    280.624  3040.97    568.816  3781.26    322.618  73.538  7.2352  83.261  3.5775  -9.722862      8.071312  
1 1 1 -4  50  24 o 101.754 2.9980  5640.31    330.415  5825.43    698.922  5587.03    374.962  102.190 6.3460  101.183 3.4215  1.007668       7.209598  
1 1 1 -4  50  25 o 23.206  7.3070  302.662    204.971  -490.7778  406.961  572.354    237.263  16.803  8.0185  31.294  7.1557  -14.49069      10.74709  
1 1 1 -4  50  26 o 39.083  5.4835  865.841    225.733  1085.17    439.146  787.077    263.162  42.136  9.8064  36.785  6.8573  5.350834       11.96612  
1 1 1 -4  50  27 o 13.828  6.2602  -96.5436   201.420  -744.8774  405.572  115.716    232.061  14.907  7.3166  18.755  7.5151  -3.847797      10.48853  
1 1 1 -4  50  28 o 58.917  4.0174  1930.53    254.834  1535.84    517.153  2057.10    292.858  49.277  10.031  60.630  4.4915  -11.35334      10.99031  
1 1 1 -4  50  29 o 38.714  5.6587  877.571    230.273  430.338    470.656  1018.32    264.032  27.443  10.797  41.544  6.0452  -14.10104      12.37391  
1 1 1 -4  50  30 o 33.285  2.3461  610.915    84.039   0.0000     0.0000   610.915    84.039   ?       ?       33.285  2.3461  0.000000       2.346137  
1 1 1 -4  50  31 o 20.425  8.7412  134.469    344.255  0.0000     0.0000   134.469    344.255  ?       ?       20.425  8.7412  0.000000       8.741229  
1 1 1 -4  50  32 o 19.070  8.3103  92.684     322.321  0.0000     0.0000   92.684     322.321  ?       ?       19.070  8.3103  0.000000       8.310258  
1 1 1 -4  50  33 o 26.384  11.258  518.937    567.975  0.0000     0.0000   518.937    567.975  ?       ?       26.384  11.258  0.000000       11.25817  
1 1 1 -4  51  1  o 115.609 2.9210  7241.00    365.763  7151.66    522.512  7326.84    512.178  114.869 4.1997  116.271 4.0671  -1.401299      5.846257  
1 1 1 -4  51  2  o 275.340 4.8763  41102.25   1454.21  39546.17   2056.59  42658.26   2056.54  269.914 7.0348  280.358 6.7726  -10.44324      9.765080  
1 1 1 -4  51  3  o 232.406 4.2646  29276.05   1073.47  29629.45   1519.14  28923.61   1517.11  233.704 6.0015  230.899 6.0663  2.804794       8.533342  
1 1 1 -4  51  4  o 102.289 2.8737  5668.65    318.380  5257.04    451.994  6073.99    448.540  98.482  4.2375  105.865 3.9118  -7.382896      5.767013  
1 1 1 -4  51  5  o 145.412 3.6718  11458.92   578.301  12100.02   998.944  11135.76   709.232  149.329 6.1763  143.319 4.5689  6.009537       7.682546  
1 1 1 -4  51  6  o 364.290 7.2074  72069.98   2843.76  70211.13   3482.09  75792.71   4927.77  359.288 8.9480  372.603 12.210  -13.31516      15.13814  
1 1 1 -4  51  7  o 456.845 7.6190  113395.80  3769.96  117504.60  5331.86  109287.90  5331.21  464.339 10.602  447.704 10.994  16.63535       15.27311  
1 1 1 -4  51  8  o 307.067 7.6472  51241.02   2543.35  52025.34   3596.68  50456.56   3597.00  308.885 10.751  304.159 10.919  4.725494       15.32297  
1 1 1 -4  51  9  o 194.816 5.3490  20590.43   1128.68  22405.05   1601.34  18798.94   1591.10  203.065 7.2808  185.952 7.9000  17.11269       10.74335  
1 1 1 -4  51  10 o 234.495 6.1543  29853.29   1563.08  31242.82   2211.02  28464.99   2210.04  239.617 8.5194  228.663 8.9235  10.95316       12.33724  
1 1 1 -4  51  11 o 239.289 6.2403  31093.34   1617.34  29658.25   2284.31  32535.90   2290.24  233.354 9.0379  244.471 8.6493  -11.11725      12.50982  
1 1 1 -4  51  12 o 342.851 6.4121  63855.20   2381.10  63283.26   3128.47  64642.69   3670.98  340.919 8.4725  344.237 9.8459  -3.317535      12.98938  
1 1 1 -4  51  13 o 225.981 4.2424  27697.18   1038.38  28267.16   1467.69  27125.96   1469.30  228.131 5.9399  223.464 6.0706  4.667053       8.493256  
1 1 1 -4  51  14 o 195.567 3.8455  20740.75   814.561  21215.54   1158.61  20276.69   1145.43  197.661 5.4119  193.232 5.4729  4.428955       7.696835  
1 1 1 -4  51  15 o 162.713 4.8857  14374.33   861.032  14836.21   1213.83  13906.53   1221.57  165.111 6.7875  159.823 7.0568  5.288467       9.791283  
1 1 1 -4  51  16 o 276.083 7.0346  41536.27   2103.54  41729.06   2972.64  41342.90   2977.08  275.866 9.9488  274.566 10.011  1.300629       14.11375  
1 1 1 -4  51  17 o 104.035 4.1925  5877.56    472.418  6190.75    661.030  5550.60    675.403  106.489 5.7526  100.745 6.2201  5.743568       8.472420  
1 1 1 -4  51  18 o 56.047  3.6831  1713.12    222.334  1686.28    332.681  1734.79    298.882  55.343  5.6283  56.243  4.9571  -0.8999329     7.500044  
1 1 1 -4  51  19 o 105.068 3.0160  5992.62    343.216  5884.34    664.742  6031.98    400.767  103.594 5.9494  105.368 3.5117  -1.774689      6.908507  
1 1 1 -4  51  20 o 132.753 3.1230  9575.16    449.047  7959.59    941.801  10050.50   510.854  119.964 7.2828  135.956 3.4692  -15.99272      8.066881  
1 1 1 -4  51  21 o 78.918  2.9969  3385.15    256.166  4043.11    509.256  3162.28    296.394  85.705  5.5154  76.215  3.5905  9.489159       6.581113  
1 1 1 -4  51  22 o 75.736  2.6654  3116.93    218.645  3458.54    545.681  3051.60    238.639  78.883  6.4430  74.910  2.9412  3.973251       7.082639  
1 1 1 -4  51  23 o 145.019 3.3256  11462.04   522.352  12567.77   1049.37  11097.81   602.270  150.543 6.4357  142.525 3.9015  8.017609       7.525976  
1 1 1 -4  51  24 o 24.210  7.0212  335.487    194.860  -597.7480  403.904  618.587    222.461  15.997  7.7249  32.794  6.4929  -16.79675      10.09115  
1 1 1 -4  51  25 o 45.740  4.5995  1163.85    224.777  1500.91    445.927  1049.04    260.260  50.612  8.4313  43.087  5.7182  7.525478       10.18745  
1 1 1 -4  51  26 o 49.876  4.4154  1383.21    236.055  1433.29    469.818  1366.30    273.018  48.798  9.2271  49.326  5.1880  -0.5279388     10.58563  
1 1 1 -4  51  27 o 102.368 3.0726  5736.01    340.674  5213.92    586.321  6002.11    418.581  96.240  5.6496  104.466 3.6994  -8.225784      6.753041  
1 1 1 -4  51  28 o 90.789  3.4312  4541.92    337.399  4249.96    662.102  4644.33    392.134  85.086  7.2538  91.549  3.9547  -6.462822      8.261784  
1 1 1 -4  51  29 o 42.328  5.4972  1045.70    246.074  683.937    483.208  1172.37    285.927  31.494  11.229  44.503  6.0919  -13.00921      12.77502  
1 1 1 -4  51  30 o 22.585  8.0757  304.673    250.098  0.0000     0.0000   304.673    250.098  ?       ?       22.585  8.0757  0.000000       8.075736  
1 1 1 -4  51  31 o 24.751  9.1334  398.521    323.254  0.0000     0.0000   398.521    323.254  ?       ?       24.751  9.1334  0.000000       9.133447  
1 1 1 -4  51  32 o 24.927  9.2203  429.066    329.818  0.0000     0.0000   429.066    329.818  ?       ?       24.927  9.2203  0.000000       9.220270  
1 1 1 -4  51  33 o 32.254  11.258  886.146    483.724  0.0000     0.0000   886.146    483.724  ?       ?       32.254  11.258  0.000000       11.25843  
1 1 1 -4  52  1  o 397.652 6.6849  85822.45   2879.17  87148.34   4073.08  84498.25   4070.46  400.285 9.3947  394.126 9.5354  6.158813       13.38596  
1 1 1 -4  52  2  o 216.253 4.0983  25347.05   959.915  24785.47   1358.27  25907.39   1356.78  213.750 5.8669  218.543 5.7319  -4.792709      8.202188  
1 1 1 -4  52  3  o 91.749  2.7459  4560.46    272.868  4256.96    387.412  4859.24    384.395  88.624  4.0360  94.691  3.7480  -6.067337      5.507886  
1 1 1 -4  52  4  o 311.020 5.4459  52467.80   1834.54  51357.89   2594.79  53577.10   2594.07  307.463 7.7918  314.056 7.6261  -6.593597      10.90276  
1 1 1 -4  52  5  o 249.344 5.2337  33719.56   1413.44  34408.21   2447.47  33374.95   1731.34  251.516 8.9843  247.972 6.4463  3.543732       11.05764  
1 1 1 -4  52  6  o 225.162 5.3035  27498.62   1293.38  27616.32   1454.65  27054.30   2826.19  225.597 5.9533  222.346 11.777  3.250748       13.19659  
1 1 1 -4  52  7  o 255.611 4.6403  35428.08   1284.70  36683.05   1818.49  34177.66   1815.18  259.945 6.4589  250.890 6.6799  9.055191       9.291827  
1 1 1 -4  52  8  o 192.744 3.7461  20136.12   782.036  20177.37   1108.49  20095.23   1103.45  192.858 5.3067  192.466 5.2933  0.3921051      7.495369  
1 1 1 -4  52  9  o 195.793 6.1008  20809.93   1293.76  20783.89   1624.00  20855.16   2140.43  195.536 7.6681  195.336 10.152  0.1994476      12.72249  
1 1 1 -4  52  10 o 344.952 8.4766  64753.87   3167.03  63748.79   4479.85  65758.06   4477.85  341.403 12.115  346.796 11.921  -5.392670      16.99687  
1 1 1 -4  52  11 o 208.484 5.6730  23593.20   1281.02  23749.88   1808.67  23435.48   1814.62  208.938 7.9923  207.541 8.0726  1.397156       11.35974  
1 1 1 -4  52  12 o 200.424 5.5182  21805.98   1197.89  23111.47   1699.58  20517.25   1688.63  206.115 7.6131  194.153 8.0301  11.96170       11.06534  
1 1 1 -4  52  13 o 313.117 6.2945  53279.45   2134.71  54287.79   2617.70  51277.58   3688.35  315.805 7.6530  306.055 11.127  9.750122       13.50443  
1 1 1 -4  52  14 o 189.169 5.9094  19444.46   1210.78  19816.44   1530.33  18821.93   1979.76  190.788 7.4057  185.300 9.9001  5.487549       12.36351  
1 1 1 -4  52  15 o 71.080  4.7208  2755.03    361.377  2666.18    517.836  2839.37    504.553  69.634  6.9591  71.942  6.5468  -2.307823      9.554605  
1 1 1 -4  52  16 o 93.698  4.1596  4765.69    422.135  4759.21    588.703  4772.55    605.635  93.347  5.8523  93.456  6.0152  -0.1089935     8.392381  
1 1 1 -4  52  17 o 87.569  2.8092  4158.41    266.444  4424.72    422.090  3982.00    343.541  90.247  4.3182  85.649  3.7033  4.597832       5.688695  
1 1 1 -4  52  18 o 32.271  5.2442  581.719    177.006  514.947    260.888  638.675    240.948  30.088  7.9034  33.572  6.8581  -3.483866      10.46407  
1 1 1 -4  52  19 o 67.984  3.0737  2509.61    226.324  2233.02    434.185  2612.81    265.204  63.537  6.3962  69.247  3.5479  -5.709316      7.314254  
1 1 1 -4  52  20 o 60.085  3.2694  1968.29    211.968  1649.04    394.857  2097.53    251.237  54.322  6.8643  61.968  3.7610  -7.645294      7.827101  
1 1 1 -4  52  21 o 159.483 3.4257  13842.48   591.738  13659.70   1176.50  13904.37   684.639  157.244 6.9079  159.708 3.9579  -2.463974      7.961452  
1 1 1 -4  52  22 o 53.914  3.7421  1592.71    217.165  1287.95    449.799  1685.34    247.981  47.063  9.1537  55.392  4.1638  -8.329529      10.05621  
1 1 1 -4  52  23 o 137.648 3.3074  10327.51   493.086  9738.50    991.220  10521.19   568.404  132.045 6.9553  138.795 3.7811  -6.750214      7.916576  
1 1 1 -4  52  24 o 36.101  5.6472  737.814    213.579  928.421    426.962  674.201    246.657  39.296  10.005  34.141  6.9074  5.154171       12.15804  
1 1 1 -4  52  25 o 32.477  1.6174  572.478    56.895   684.016    81.273   465.289    79.673   35.408  2.1291  29.121  2.5518  6.286795       3.323370  
1 1 1 -4  52  26 o 28.904  6.9084  492.225    213.333  218.839    428.721  582.195    245.944  25.019  10.148  31.345  7.3685  -6.326433      12.54064  
1 1 1 -4  52  27 o 16.576  6.9422  45.103     209.363  65.401     415.646  38.202     242.354  22.381  9.5925  17.499  7.4062  4.882166       12.11890  
1 1 1 -4  52  28 o 57.179  4.1786  1828.94    256.991  2275.63    515.064  1680.87    296.540  61.455  7.9226  54.384  5.0937  7.071007       9.418731  
1 1 1 -4  52  29 o 50.985  4.6075  1483.91    251.683  1234.83    510.657  1563.82    289.255  41.582  11.122  51.989  5.2069  -10.40696      12.28038  
1 1 1 -4  52  30 o 40.952  2.4279  924.848    107.210  0.0000     0.0000   924.848    107.210  ?       ?       40.952  2.4279  0.000000       2.427911  
1 1 1 -4  52  31 o 36.886  8.6574  925.846    339.941  0.0000     0.0000   925.846    339.941  ?       ?       36.886  8.6574  0.000000       8.657432  
1 1 1 -4  52  32 o 25.257  9.5933  448.271    362.114  0.0000     0.0000   448.271    362.114  ?       ?       25.257  9.5933  0.000000       9.593340  
1 1 1 -4  53  1  o 186.563 3.6736  18862.44   742.318  19240.30   1052.54  18488.50   1047.07  188.359 5.1592  184.638 5.2358  3.720428       7.350602  
1 1 1 -4  53  2  o 212.809 4.0128  24546.38   924.926  24383.44   1309.00  24708.84   1307.09  212.011 5.7005  213.424 5.6545  -1.412888      8.029226  
1 1 1 -4  53  3  o 91.724  2.7083  4558.00    269.064  4711.69    380.816  4404.79    380.213  93.240  3.7709  90.150  3.8939  3.090034       5.420534  
1 1 1 -4  53  4  o 180.705 4.1281  17700.35   807.962  18019.65   1399.46  17540.71   989.539  182.163 7.0930  179.845 5.0800  2.317764       8.724483  
1 1 1 -4  53  5  o 304.889 7.5596  50501.90   2496.37  48258.85   3527.95  52751.20   3532.86  297.522 10.948  311.148 10.483  -13.62589      15.15760  
1 1 1 -4  53  6  o 178.333 3.5882  17235.80   693.073  16484.79   979.777  17987.95   980.529  174.334 5.1889  182.120 4.9709  -7.786636      7.185687  
1 1 1 -4  53  7  o 143.467 3.1911  11153.51   495.861  11330.89   703.979  10978.85   698.558  144.560 4.4962  142.295 4.5325  2.264786       6.384315  
1 1 1 -4  53  8  o 207.778 3.9819  23402.91   896.115  23756.68   1269.86  23051.98   1264.75  209.240 5.6033  206.109 5.6655  3.131241       7.968322  
1 1 1 -4  53  9  o 251.819 4.5940  34389.26   1253.00  34571.09   1773.23  34207.93   1770.80  252.310 6.4888  250.978 6.5142  1.331421       9.194511  
1 1 1 -4  53  10 o 380.081 7.5346  78541.27   3101.76  79122.92   5372.51  78250.46   3798.83  379.997 13.053  378.999 9.2543  0.9985657      16.00110  
1 1 1 -4  53  11 o 192.747 5.3783  20162.78   1122.79  19829.28   1583.98  20499.58   1591.77  190.934 7.6594  194.145 7.5698  -3.210159      10.76889  
1 1 1 -4  53  12 o 361.763 8.8490  71329.14   3467.27  72797.03   4905.26  69863.41   4901.66  364.337 12.431  356.829 12.683  7.508057       17.75863  
1 1 1 -4  53  13 o 212.730 8.2749  24658.80   1906.62  24658.80   1906.62  0.0000     0.0000   212.730 8.2749  ?       ?       0.000000       8.274946  
1 1 1 -4  53  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  53  15 o 92.910  4.2096  4684.74    423.615  4174.08    584.980  5247.78    614.255  87.372  6.2222  98.071  5.8087  -10.69848      8.512174  
1 1 1 -4  53  16 o 127.380 3.2364  8800.55    446.510  8815.38    642.600  8786.70    620.881  127.382 4.6576  127.188 4.5071  0.1944504      6.481266  
1 1 1 -4  53  17 o 132.083 3.2687  9466.83    467.614  9879.16    677.767  9092.27    645.990  134.792 4.6424  129.316 4.6121  5.476227       6.543996  
1 1 1 -4  53  18 o 63.472  2.5092  2185.01    172.500  2156.82    334.308  2195.24    201.378  62.733  4.9607  63.604  2.9232  -0.8706551     5.757888  
1 1 1 -4  53  19 o 48.594  2.2523  1280.79    118.543  1286.75    131.904  1255.77    270.310  48.633  2.5127  47.661  5.3275  0.9727516      5.890357  
1 1 1 -4  53  20 o 58.319  3.2359  1854.66    203.595  1715.99    390.722  1906.35    238.538  55.463  6.6360  59.059  3.7485  -3.596634      7.621514  
1 1 1 -4  53  21 o 18.050  6.4829  152.732    161.337  47.139     364.509  178.458    179.921  21.632  9.1151  19.278  6.8543  2.353643       11.40462  
1 1 1 -4  53  22 f 22.570  6.7458  286.212    177.613  512.702    372.392  219.518    202.078  30.326  9.8792  20.887  7.2776  9.439610       12.27037  
1 1 1 -4  53  23 o 119.698 3.1465  7806.56    407.928  8035.06    822.384  7731.99    469.798  120.171 6.3408  119.001 3.6449  1.169044       7.313807  
1 1 1 -4  53  24 o 111.899 3.2159  6833.00    389.761  6045.93    774.683  7099.76    451.000  103.618 6.9428  113.937 3.6546  -10.31835      7.845967  
1 1 1 -4  53  25 o 50.914  4.2970  1436.32    234.743  1321.82    470.060  1474.37    270.948  46.836  9.5890  51.409  4.9264  -4.572872      10.78044  
1 1 1 -4  53  26 o 28.922  6.9236  493.328    214.003  837.674    435.947  384.006    245.635  36.690  10.460  25.702  7.9838  10.98841       13.15895  
1 1 1 -4  53  27 o 23.276  7.6718  308.189    224.324  973.736    434.599  66.471     261.911  39.219  10.152  18.548  7.7662  20.67040       12.78195  
1 1 1 -4  53  28 o 35.278  5.6797  725.992    209.650  509.261    345.139  852.722    263.921  28.541  9.5213  37.811  6.6892  -9.269802      11.63617  
1 1 1 -4  53  29 o 42.245  5.4042  1043.56    241.605  368.259    489.562  1260.98    277.790  26.260  10.770  46.335  5.6524  -20.07457      12.16298  
1 1 1 -4  53  30 o 17.130  7.8208  -94.2716   322.752  0.0000     0.0000   -94.2716   322.752  ?       ?       17.130  7.8208  0.000000       7.820819  
1 1 1 -4  53  31 o 25.419  9.6467  431.966    365.961  0.0000     0.0000   431.966    365.961  ?       ?       25.419  9.6467  0.000000       9.646699  
1 1 1 -4  53  32 f 25.992  9.4019  483.647    340.070  0.0000     0.0000   483.647    340.070  ?       ?       25.992  9.4019  0.000000       9.401937  
1 1 1 -4  54  1  o 94.413  2.7599  4829.23    282.221  4682.15    402.332  4971.71    395.985  92.943  3.9967  95.777  3.8172  -2.834511      5.526704  
1 1 1 -4  54  2  o 28.933  3.9939  462.332    121.823  533.074    169.015  385.838    175.751  30.927  5.2323  26.143  6.2845  4.783915       8.177536  
1 1 1 -4  54  3  f 174.542 3.4872  16509.28   659.248  16526.98   933.592  16491.68   931.048  174.577 4.9374  174.391 4.9292  0.1861420      6.976787  
1 1 1 -4  54  4  o 109.824 3.3283  6535.91    395.909  6906.04    679.964  6346.08    486.967  112.828 5.5642  108.198 4.1554  4.629196       6.944564  
1 1 1 -4  54  5  o 185.395 4.2950  18633.65   862.440  17433.17   1056.12  21036.69   1494.22  179.265 5.4393  196.812 7.0096  -17.54668      8.872464  
1 1 1 -4  54  6  o 92.483  2.7600  4634.04    276.463  4608.04    390.539  4660.16    391.418  92.202  3.9107  92.722  3.8975  -0.5202103     5.521249  
1 1 1 -4  54  7  o 67.410  2.8724  2462.15    209.718  2636.00    303.922  2304.12    289.757  69.615  4.0483  65.062  4.1333  4.552109       5.785542  
1 1 1 -4  54  8  o 72.195  2.8218  2824.06    220.648  2857.27    316.218  2792.55    308.028  72.486  4.0439  71.662  3.9843  0.8238907      5.676939  
1 1 1 -4  54  9  o 107.006 2.8906  6204.46    335.018  6508.65    475.775  5905.30    471.823  109.569 4.0091  104.363 4.1741  5.206818       5.787550  
1 1 1 -4  54  10 o 272.047 4.8722  40148.57   1435.63  39666.38   2030.93  40630.15   2029.65  270.172 6.9404  273.446 6.8530  -3.274353      9.753578  
1 1 1 -4  54  11 o 302.713 5.2866  49733.56   1733.31  51501.52   2452.14  47968.09   2450.41  307.733 7.3570  296.944 7.6189  10.78934       10.59119  
1 1 1 -4  54  12 o 346.147 8.5061  65292.27   3189.05  66592.13   4515.83  63999.09   4504.18  348.521 11.963  341.594 12.174  6.927032       17.06811  
1 1 1 -4  54  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  54  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -4  54  15 o 86.075  4.5683  4034.38    424.371  4083.88    622.213  3991.33    580.282  86.332  6.7068  85.399  6.3184  0.9334106      9.214345  
1 1 1 -4  54  16 o 146.260 3.8708  11612.58   613.190  11375.56   752.577  12080.73   1057.66  144.667 4.8030  148.847 6.5605  -4.180237      8.130735  
1 1 1 -4  54  17 o 76.858  3.1879  3205.60    265.373  3207.89    385.929  3203.55    365.493  76.654  4.6707  76.634  4.4222  0.2019501E-01  6.432014  
1 1 1 -4  54  18 o 150.081 3.4091  12234.62   554.167  12573.03   799.221  11921.26   769.070  151.908 4.8575  147.929 4.8000  3.979233       6.829036  
1 1 1 -4  54  19 o 73.214  2.9079  2910.85    230.595  3613.16    490.612  2711.70    261.250  81.077  5.6216  70.628  3.4151  10.44875       6.577669  
1 1 1 -4  54  20 o 85.054  2.6913  3928.76    247.928  3660.65    402.123  4093.18    314.902  81.760  4.5591  86.748  3.3516  -4.987244      5.658468  
1 1 1 -4  54  21 o 136.846 3.2202  10189.88   477.295  11047.43   949.155  9899.63    552.191  141.588 6.1893  134.762 3.7831  6.825699       7.253925  
1 1 1 -4  54  22 o 47.722  4.0184  1252.88    205.769  1439.37    422.676  1194.96    235.569  50.103  8.0624  46.453  4.7488  3.649673       9.356956  
1 1 1 -4  54  23 o 41.183  4.7654  943.645    208.635  1303.34    415.969  822.741    241.164  47.381  8.4137  38.100  6.0460  9.281288       10.36073  
1 1 1 -4  54  24 o 37.114  2.0135  750.473    80.638   740.904    85.139   833.862    251.327  36.861  2.1417  38.204  6.2929  -1.343281      6.647346  
1 1 1 -4  54  25 o 88.449  2.8967  4269.18    277.506  4340.58    627.068  4251.79    309.458  87.543  6.6634  88.184  3.2400  -0.6408539     7.409341  
1 1 1 -4  54  26 o 20.066  7.3300  195.529    207.433  -70.0817   423.115  279.565    237.996  21.019  9.3257  22.801  7.9005  -1.781250      12.22239  
1 1 1 -4  54  27 o 34.498  6.2776  695.768    225.923  923.386    456.533  621.948    259.990  37.861  10.673  32.105  7.5954  5.755360       13.09997  
1 1 1 -4  54  28 o 21.721  1.8603  258.975    43.343   256.017    43.928   367.745    266.342  21.589  1.8979  24.753  8.3637  -3.163219      8.576332  
1 1 1 -4  54  29 o 18.936  7.5220  154.954    230.505  297.646    456.219  106.042    267.105  24.912  10.325  18.794  7.8536  6.118416       12.97212  
1 1 1 -4  54  30 o 43.287  8.6488  1238.08    391.308  0.0000     0.0000   1238.08    391.308  ?       ?       43.287  8.6488  0.000000       8.648799  
1 1 1 -4  54  31 o 22.610  9.0535  291.351    336.540  0.0000     0.0000   291.351    336.540  ?       ?       22.610  9.0535  0.000000       9.053475  
1 1 1 -4  54  32 o 18.015  8.1286  -5.6437    336.367  0.0000     0.0000   -5.6437    336.367  ?       ?       18.015  8.1286  0.000000       8.128604  
1 1 1 -4  55  1  o 104.147 2.7960  5876.54    315.396  5863.45    449.376  5889.25    442.772  104.007 3.9891  104.237 3.9218  -0.2301025     5.594072  
1 1 1 -4  55  2  o 118.819 2.9130  7649.31    374.889  7420.16    532.563  7874.40    527.816  116.996 4.2027  120.528 4.0432  -3.532333      5.831834  
1 1 1 -4  55  3  o 453.898 8.7655  112061.90  4309.26  116979.10  7467.05  109606.50  5276.62  461.836 14.928  448.372 10.865  13.46378       18.46325  
1 1 1 -4  55  4  o 69.672  3.9281  2639.52    295.214  2745.52    410.591  2526.08    424.761  70.939  5.3840  67.982  5.8250  2.956802       7.932093  
1 1 1 -4  55  5  o 343.645 6.7989  64129.36   2530.57  60926.16   3098.11  70550.57   4386.45  334.686 8.5465  359.578 11.263  -24.89200      14.13844  
1 1 1 -4  55  6  o 178.808 3.5961  17328.47   696.452  17282.23   985.048  17374.69   984.816  178.499 5.0951  178.976 5.0803  -0.4777069     7.195107  
1 1 1 -4  55  7  o 176.560 3.5793  16895.87   684.484  17319.14   968.520  16473.49   967.494  178.689 5.0043  174.265 5.1259  4.423828       7.163624  
1 1 1 -4  55  8  f 130.286 3.0882  9198.36    435.784  9063.49    620.960  9329.25    611.728  129.284 4.4345  131.171 4.3058  -1.886703      6.181015  
1 1 1 -4  55  9  o 113.295 2.9382  6955.42    360.547  7086.45    512.260  6826.80    507.554  114.323 4.1370  112.208 4.1763  2.115219       5.878423  
1 1 1 -4  55  10 o 120.215 3.0657  7831.78    399.173  7465.85    560.659  8207.96    568.453  117.328 4.4119  123.027 4.2660  -5.698906      6.137075  
1 1 1 -4  55  11 o 194.831 3.8457  20581.63   811.525  21458.41   1145.97  19699.64   1149.38  198.827 5.3214  190.484 5.5710  8.343475       7.704131  
1 1 1 -4  55  12 o 134.035 4.4704  9746.46    648.980  9715.22    913.432  9778.30    922.224  133.703 6.3076  134.133 6.3479  -0.4303436     8.948844  
1 1 1 -4  55  13 o 215.100 11.264  25443.44   2615.12  0.0000     0.0000   25443.44   2615.12  ?       ?       215.100 11.264  0.000000       11.26404  
1 1 1 -4  55  14 o 186.493 5.3557  18897.80   1081.80  19370.20   1540.63  18438.33   1519.38  188.501 7.5460  183.897 7.6282  4.603363       10.72992  
1 1 1 -4  55  15 o 185.964 5.3575  18803.68   1079.10  19475.77   1549.23  18170.32   1503.94  188.880 7.5729  182.433 7.6113  6.447464       10.73685  
1 1 1 -4  55  16 o 192.206 5.4580  20111.11   1136.24  20934.47   1631.28  19335.22   1583.55  195.598 7.7001  187.958 7.7786  7.639404       10.94518  
1 1 1 -4  55  17 f 18.692  7.7660  46.639     259.025  -42.5882   448.579  91.272     317.262  22.866  9.8840  21.234  8.6847  1.631685       13.15740  
1 1 1 -4  55  18 o 215.777 4.1316  25334.40   965.591  25817.66   1368.02  24854.60   1363.10  217.322 5.8119  213.199 5.9030  4.123245       8.283936  
1 1 1 -4  55  19 o 228.569 4.9892  28534.94   1235.14  28873.38   2136.49  28365.04   1513.73  227.986 8.6521  227.388 6.1462  0.5973816      10.61301  
1 1 1 -4  55  20 f 76.929  2.6195  3213.86    218.264  3124.37    503.405  3234.58    242.214  75.116  6.2441  77.152  2.8985  -2.035988      6.884037  
1 1 1 -4  55  21 o 57.730  3.4642  1821.67    215.607  1914.71    492.500  1799.61    239.808  58.066  8.0473  57.309  3.8864  0.7565193      8.936589  
1 1 1 -4  55  22 o 35.596  2.0190  689.974    77.522   673.766    82.212   820.008    232.864  35.159  2.1695  38.138  5.8219  -2.978477      6.213011  
1 1 1 -4  55  23 o 69.708  3.5254  2660.03    265.307  2675.44    514.297  2654.45    309.696  68.848  6.9940  69.495  4.1331  -0.6476059     8.123960  
1 1 1 -4  55  24 o 100.873 3.1979  5555.92    349.384  6038.54    693.422  5391.71    404.480  103.834 6.1940  99.215  3.7640  4.618835       7.247990  
1 1 1 -4  55  25 o 87.121  3.2826  4152.63    309.753  3590.51    612.448  4345.84    359.062  79.205  7.2184  88.995  3.7251  -9.790283      8.122909  
1 1 1 -4  55  26 o 47.616  2.6168  1240.63    134.440  1119.52    151.705  1683.72    290.170  45.124  3.1232  54.832  4.9390  -9.708031      5.843611  
1 1 1 -4  55  27 o 42.199  5.2002  1014.16    232.656  673.398    464.595  1128.21    268.786  32.641  11.046  44.315  5.7344  -11.67445      12.44597  
1 1 1 -4  55  28 o 14.678  6.5464  -48.8785   211.279  -148.2562  421.017  -15.4280   244.262  19.338  8.8673  16.296  7.1641  3.041683       11.39967  
1 1 1 -4  55  29 o 46.453  4.9913  1247.87    247.194  723.209    508.311  1410.38    282.898  31.709  11.491  49.154  5.4029  -17.44493      12.69772  
1 1 1 -4  55  30 o 26.222  9.4083  456.461    339.719  0.0000     0.0000   456.461    339.719  ?       ?       26.222  9.4083  0.000000       9.408264  
1 1 1 -4  55  31 o 24.109  9.2852  373.736    342.228  0.0000     0.0000   373.736    342.228  ?       ?       24.109  9.2852  0.000000       9.285187  
1 1 1 -4  55  32 o 62.251  6.1972  2387.55    412.285  0.0000     0.0000   2387.55    412.285  ?       ?       62.251  6.1972  0.000000       6.197156  
1 1 1 -4  56  1  o 111.863 2.8623  6779.87    346.795  6482.26    493.022  7071.33    487.901  109.352 4.1627  114.218 3.9439  -4.866417      5.734282  
1 1 1 -4  56  2  o 101.407 2.7497  5571.38    302.010  5795.92    421.624  5334.76    432.809  103.410 3.7644  99.205  4.0280  4.205170       5.513211  
1 1 1 -4  56  3  o 158.666 3.9033  13645.80   670.790  13927.17   1166.00  13506.62   820.089  160.153 6.7219  157.819 4.7977  2.333908       8.258446  
1 1 1 -4  56  4  o 196.818 4.4551  21003.14   949.721  21170.02   1164.12  20671.03   1642.29  197.541 5.4409  195.019 7.7750  2.521500       9.489700  
1 1 1 -4  56  5  o 51.695  3.1625  1453.56    176.220  1349.99    249.131  1557.26    249.294  49.675  4.6858  53.417  4.3466  -3.742050      6.391339  
1 1 1 -4  56  6  o 36.108  3.6936  714.057    142.419  733.401    199.299  693.870    203.592  36.403  5.2028  35.345  5.4968  1.057751       7.568568  
1 1 1 -4  56  7  o 272.237 4.8824  40198.64   1439.61  40024.61   2036.14  40372.60   2035.70  271.433 6.9259  272.614 6.8944  -1.181305      9.772443  
1 1 1 -4  56  8  o 166.815 3.4623  15082.16   625.569  15189.83   885.936  14975.09   883.446  167.341 4.8880  166.153 4.9091  1.188232       6.927595  
1 1 1 -4  56  9  o 128.374 3.1148  8930.93    433.087  9241.39    618.948  8633.11    606.207  130.541 4.3776  126.169 4.4361  4.371620       6.232345  
1 1 1 -4  56  10 o 289.711 5.1698  45549.06   1622.22  46137.54   2293.26  44959.66   2295.07  291.279 7.2690  287.520 7.3698  3.758759       10.35147  
1 1 1 -4  56  11 o 127.418 4.3873  8806.79    605.486  8617.46    852.868  8999.18    859.746  125.935 6.2527  128.700 6.1677  -2.764740      8.782728  
1 1 1 -4  56  12 o 84.581  3.5098  3878.73    321.538  4362.59    538.156  3610.10    400.978  89.451  5.5825  81.441  4.5642  8.010704       7.210797  
1 1 1 -4  56  13 o 137.945 3.2556  10316.77   486.411  10168.01   689.985  10463.73   685.812  136.865 4.6545  138.848 4.5603  -1.982483      6.516218  
1 1 1 -4  56  14 o 364.268 6.2679  72213.77   2472.93  72636.66   3499.74  71792.07   3494.76  364.439 8.8663  362.298 8.9060  2.140900       12.56689  
1 1 1 -4  56  15 o 233.798 6.2491  29778.48   1582.45  28290.49   2242.92  31253.28   2232.97  227.124 9.1176  238.877 8.6305  -11.75258      12.55455  
1 1 1 -4  56  16 o 103.335 4.4659  5804.90    499.835  5407.49    727.229  6160.73    688.136  99.259  6.8055  106.125 6.0114  -6.866112      9.080313  
1 1 1 -4  56  17 o 118.948 4.6218  7701.53    595.437  7990.31    901.685  7478.22    792.912  120.582 6.9332  116.793 6.2913  3.788910       9.362181  
1 1 1 -4  56  18 o 139.577 4.6780  10620.04   707.210  11338.36   1032.56  9985.33    970.607  143.744 6.6321  134.892 6.6433  8.852020       9.387165  
1 1 1 -4  56  19 o 65.854  6.5331  2407.18    459.833  0.0000     0.0000   2407.18    459.833  ?       ?       65.854  6.5331  0.000000       6.533110  
1 1 1 -4  56  20 o 124.359 3.1125  8409.38    419.231  9453.08    839.052  8062.13    483.973  131.158 5.9064  121.667 3.6726  9.490707       6.955153  
1 1 1 -4  56  21 o 170.592 3.7392  15872.05   690.897  16795.00   1341.38  15538.79   806.038  173.878 7.1226  168.558 4.4151  5.320374       8.379972  
1 1 1 -4  56  22 o 83.958  3.1827  3840.08    289.418  4081.12    607.287  3769.24    329.208  85.484  6.6104  83.101  3.6576  2.382927       7.554794  
1 1 1 -4  56  23 o 90.632  3.2230  4480.73    316.382  4643.82    654.873  4431.08    361.350  90.965  6.6938  90.024  3.7059  0.9403839      7.651245  
1 1 1 -4  56  24 o 70.229  3.4839  2697.94    265.008  2626.13    527.030  2722.24    306.587  67.819  7.2893  70.312  4.0428  -2.493561      8.335388  
1 1 1 -4  56  25 o 25.874  1.3960  364.288    38.978   294.751    399.474  364.957    39.165   25.790  10.004  25.897  1.4015  -0.1073418     10.10149  
1 1 1 -4  56  26 o 52.248  4.2393  1517.99    237.833  748.125    472.419  1779.36    275.259  34.604  11.115  56.490  4.5371  -21.88558      12.00492  
1 1 1 -4  56  27 o 49.045  4.9589  1363.49    259.804  1151.64    475.197  1453.82    310.284  41.995  10.481  50.257  5.8072  -8.261288      11.98200  
1 1 1 -4  56  28 o 25.696  7.4809  411.118    220.833  313.718    433.703  445.208    256.585  25.144  10.203  26.563  8.1448  -1.419699      13.05558  
1 1 1 -4  56  29 o 22.359  8.1668  289.722    257.493  0.0000     0.0000   289.722    257.493  ?       ?       22.359  8.1668  0.000000       8.166820  
1 1 1 -4  56  30 o 27.288  9.4450  511.276    340.099  0.0000     0.0000   511.276    340.099  ?       ?       27.288  9.4450  0.000000       9.444978  
1 1 1 -4  56  31 o 38.804  8.8216  1043.16    362.366  0.0000     0.0000   1043.16    362.366  ?       ?       38.804  8.8216  0.000000       8.821590  
1 1 1 -4  57  1  o 263.636 4.7880  37691.21   1367.20  37441.87   1934.57  37940.00   1932.46  262.581 6.8022  264.328 6.7499  -1.746490      9.582879  
1 1 1 -4  57  2  o 346.827 6.9446  65330.16   2608.74  65621.84   4521.97  65184.65   3193.80  346.603 12.046  346.190 8.5177  0.4128723      14.75283  
1 1 1 -4  57  3  o 47.358  4.4740  1226.87    226.771  1366.30    317.317  1081.33    324.200  49.817  6.0017  44.077  7.0269  5.740009       9.241108  
1 1 1 -4  57  4  o 140.773 3.6590  10740.83   557.898  10817.08   683.184  10588.21   966.588  141.243 4.4658  139.651 6.3904  1.592102       7.796178  
1 1 1 -4  57  5  o 145.541 3.2100  11478.76   506.016  11061.10   716.193  11895.06   715.038  142.819 4.6299  148.112 4.4573  -5.293442      6.426777  
1 1 1 -4  57  6  o 318.882 5.5584  55178.56   1919.77  52384.77   2714.11  57975.87   2715.82  310.359 8.0741  326.567 7.6782  -16.20859      11.14204  
1 1 1 -4  57  7  o 93.766  2.8578  4763.98    290.229  4727.69    415.695  4798.49    405.389  93.381  4.1100  94.081  3.9783  -0.6999207     5.720107  
1 1 1 -4  57  8  o 341.937 5.9237  63476.84   2193.88  62820.35   3102.47  64133.45   3102.75  339.731 8.4315  343.281 8.3450  -3.549866      11.86291  
1 1 1 -4  57  9  o 140.041 3.2034  10628.94   485.888  10774.30   685.281  10481.97   689.031  140.942 4.4891  139.013 4.5763  1.929382       6.410482  
1 1 1 -4  57  10 o 367.280 10.491  73718.22   4173.37  74343.68   5019.39  72317.54   7511.43  368.104 12.590  359.415 19.367  8.688873       23.09926  
1 1 1 -4  57  11 o 429.464 10.372  100833.60  4824.57  98590.95   6824.49  103074.20  6821.45  422.543 14.912  432.231 14.571  -9.688629      20.84888  
1 1 1 -4  57  12 o 231.779 6.1186  29202.24   1536.01  28285.60   2170.50  30121.83   2174.00  227.656 8.8026  234.982 8.5419  -7.326202      12.26578  
1 1 1 -4  57  13 o 138.732 3.3097  10436.13   497.320  10252.68   716.241  10606.91   691.067  137.411 4.8124  139.784 4.5645  -2.372177      6.632827  
1 1 1 -4  57  14 o 103.111 3.1255  5765.40    349.053  5751.61    505.320  5777.99    482.726  102.912 4.5335  103.161 4.3203  -0.2490158     6.262379  
1 1 1 -4  57  15 o 151.766 3.4077  12497.92   560.160  12201.03   799.971  12783.53   784.624  149.793 4.9307  153.353 4.7239  -3.559647      6.828415  
1 1 1 -4  57  16 o 49.741  3.7925  1351.63    202.781  1224.74    286.853  1478.39    286.697  47.052  5.7483  51.851  5.1741  -4.799187      7.733960  
1 1 1 -4  57  17 o 200.612 5.5572  21971.13   1207.50  23625.17   1721.69  20369.93   1693.96  207.275 7.6690  192.284 8.1337  14.99100       11.17904  
1 1 1 -4  57  18 o 213.493 5.9280  24963.20   1370.76  25269.30   1962.18  24671.42   1915.76  213.549 8.4834  211.066 8.3802  2.483566       11.92459  
1 1 1 -4  57  19 o 173.975 5.2036  16560.94   980.534  16803.28   1413.16  16335.95   1361.64  174.292 7.4859  171.934 7.3119  2.358002       10.46436  
1 1 1 -4  57  20 f 53.705  4.9139  1591.42    282.663  0.0000     0.0000   1591.42    282.663  ?       ?       53.705  4.9139  0.000000       4.913922  
1 1 1 -4  57  21 o 46.152  5.3865  1186.29    264.189  0.0000     0.0000   1186.29    264.189  ?       ?       46.152  5.3865  0.000000       5.386462  
1 1 1 -4  57  22 o 111.402 3.1646  6761.94    381.846  6819.61    786.422  6744.15    436.790  110.579 6.5962  111.150 3.6282  -0.5705185     7.528205  
1 1 1 -4  57  23 o 92.441  3.2177  4662.58    322.169  4579.04    665.807  4688.12    368.135  90.186  6.8678  92.590  3.6709  -2.404053      7.787321  
1 1 1 -4  57  24 o 58.665  4.0646  1898.82    256.675  1619.17    522.121  1987.94    294.750  51.997  9.6254  59.885  4.5790  -7.888439      10.65906  
1 1 1 -4  57  25 o 14.900  6.4839  -20.5061   195.633  -506.8766  438.503  100.358    218.594  17.431  8.3195  18.101  7.2793  -0.6697044     11.05451  
1 1 1 -4  57  26 o 55.265  4.0542  1695.40    240.982  1095.52    487.870  1889.00    277.152  41.395  10.776  58.216  4.4287  -16.82146      11.65086  
1 1 1 -4  57  27 o 72.928  3.5650  2940.41    281.591  2601.27    564.803  3052.59    324.842  65.498  8.1368  73.975  4.0700  -8.476196      9.097961  
1 1 1 -4  57  28 o 41.071  5.7660  993.321    249.429  426.947    464.907  1222.24    295.570  27.088  10.707  45.370  6.1752  -18.28219      12.36032  
1 1 1 -4  57  29 o 33.833  7.8911  736.300    283.857  0.0000     0.0000   736.300    283.857  ?       ?       33.833  7.8911  0.000000       7.891089  
1 1 1 -4  57  30 o 19.911  8.5334  119.190    328.920  0.0000     0.0000   119.190    328.920  ?       ?       19.911  8.5334  0.000000       8.533402  
1 1 1 -4  57  31 o 22.244  9.2374  258.711    366.255  0.0000     0.0000   258.711    366.255  ?       ?       22.244  9.2374  0.000000       9.237432  
1 1 1 -4  58  1  o 75.940  2.7150  3124.46    223.314  3199.16    312.674  3046.67    319.051  76.826  3.7576  74.866  3.9486  1.960632       5.450808  
1 1 1 -4  58  2  o 73.264  3.1125  2908.55    246.986  3259.12    438.424  2745.57    298.934  77.332  5.2657  71.063  3.8988  6.269341       6.551972  
1 1 1 -4  58  3  o 47.575  3.6267  1233.88    185.472  1214.67    224.889  1274.72    327.960  47.121  4.4595  48.024  6.4697  -0.9033852     7.857763  
1 1 1 -4  58  4  f 26.489  4.8948  392.700    135.262  510.141    185.510  259.396    197.643  30.142  5.8936  22.219  7.1945  7.922655       9.300282  
1 1 1 -4  58  5  o 251.543 4.5880  34312.88   1249.99  35110.98   1768.70  33516.48   1766.81  254.285 6.4219  248.429 6.5663  5.856094       9.184568  
1 1 1 -4  58  6  o 268.177 5.1137  39015.98   1485.35  37811.13   1963.84  40626.62   2270.59  263.818 6.8728  273.358 7.6690  -9.540161      10.29797  
1 1 1 -4  58  7  o 179.665 3.6448  17497.26   709.258  17900.68   1004.42  17096.03   1001.67  181.643 5.1054  177.506 5.2100  4.136185       7.294468  
1 1 1 -4  58  8  o 108.245 2.9934  6349.56    350.946  6279.72    503.613  6415.50    489.321  107.609 4.3209  108.772 4.1534  -1.162865      5.993466  
1 1 1 -4  58  9  o 353.417 8.6595  68049.71   3314.75  68172.20   4691.78  67927.64   4683.76  352.667 12.283  352.034 12.284  0.6334839      17.37144  
1 1 1 -4  58  10 o 267.583 6.8424  38930.39   1983.08  38058.54   2804.70  39801.99   2804.29  264.016 9.8081  270.044 9.5878  -6.028381      13.71587  
1 1 1 -4  58  11 o 128.926 4.4187  9018.17    617.020  8892.68    871.195  9144.46    874.008  127.905 6.2887  129.708 6.2213  -1.803223      8.845997  
1 1 1 -4  58  12 o 41.332  1.9646  925.534    87.950   721.761    288.235  946.454    92.355   35.719  7.6788  41.796  2.0401  -6.076981      7.945168  
1 1 1 -4  58  13 o 174.214 3.7742  16465.58   712.156  16971.61   964.611  15859.30   1055.84  176.749 5.0388  170.783 5.7080  5.966232       7.613833  
1 1 1 -4  58  14 o 364.066 6.2635  72198.82   2469.85  72336.28   3495.25  72061.73   3490.54  363.347 8.8815  362.655 8.8865  0.6925354      12.56386  
1 1 1 -4  58  15 o 137.771 3.2694  10299.46   487.869  10678.94   700.448  9941.89    679.913  140.150 4.6144  135.223 4.6423  4.926147       6.545481  
1 1 1 -4  58  16 o 92.294  3.0984  4623.14    309.727  4559.23    448.550  4681.38    428.198  91.541  4.5240  92.784  4.2609  -1.242439      6.214664  
1 1 1 -4  58  17 o 25.209  6.4943  361.320    178.411  125.136    261.300  567.589    244.191  20.247  8.0196  31.522  7.2966  -11.27432      10.84222  
1 1 1 -4  58  18 o 88.452  3.6494  4256.17    349.624  4409.18    667.443  4198.30    410.442  89.241  6.9603  87.769  4.3176  1.471687       8.190677  
1 1 1 -4  58  19 o 54.713  5.9257  1662.02    345.542  1772.62    638.327  1616.18    410.961  55.009  11.096  53.615  7.2639  1.393963       13.26257  
1 1 1 -4  58  20 o 59.632  5.2331  1964.69    334.573  0.0000     0.0000   1964.69    334.573  ?       ?       59.632  5.2331  0.000000       5.233068  
1 1 1 -4  58  21 o 100.718 4.2222  5546.92    460.596  0.0000     0.0000   5546.92    460.596  ?       ?       100.718 4.2222  0.000000       4.222242  
1 1 1 -4  58  22 o 87.602  4.2634  4204.32    404.522  0.0000     0.0000   4204.32    404.522  ?       ?       87.602  4.2634  0.000000       4.263438  
1 1 1 -4  58  23 o 64.090  4.9720  2279.21    342.438  0.0000     0.0000   2279.21    342.438  ?       ?       64.090  4.9720  0.000000       4.972029  
1 1 1 -4  58  24 o 20.135  7.2732  198.177    203.409  -81.3706   438.191  274.960    229.651  21.417  9.4969  22.664  7.7657  -1.246885      12.26777  
1 1 1 -4  58  25 o ?       ?       -247.7576  35.667   -265.6346  435.867  -247.6371  35.787   19.349  8.9272  ?       ?       0.000000       8.927177  
1 1 1 -4  58  26 o 36.587  5.7910  771.846    221.844  848.548    488.696  751.937    248.976  36.279  11.260  35.767  6.6723  0.5117455      13.08829  
1 1 1 -4  58  27 o 48.739  4.5999  1345.11    239.956  1725.87    527.750  1245.88    269.415  51.736  9.7763  46.487  5.4545  5.249809       11.19501  
1 1 1 -4  58  28 o 53.103  4.4537  1602.52    253.795  841.811    500.951  1865.19    294.369  34.171  11.471  57.101  4.8043  -22.93044      12.43619  
1 1 1 -4  58  29 o 29.538  8.1150  569.670    267.604  0.0000     0.0000   569.670    267.604  ?       ?       29.538  8.1150  0.000000       8.114964  
1 1 1 -4  58  30 o 61.775  6.0783  2303.42    401.424  0.0000     0.0000   2303.42    401.424  ?       ?       61.775  6.0783  0.000000       6.078309  
1 1 1 -4  58  31 o 23.937  9.2530  368.633    340.848  0.0000     0.0000   368.633    340.848  ?       ?       23.937  9.2530  0.000000       9.253031  
1 1 1 -4  59  1  o 180.162 4.1928  17597.33   818.159  17590.66   1420.23  17600.64   1000.93  179.926 7.2878  180.129 5.1304  -0.2027130     8.912486  
1 1 1 -4  59  2  o 204.792 5.5798  22757.34   1237.67  22531.24   1750.67  22983.25   1749.99  203.566 7.9401  205.607 7.8583  -2.040176      11.17133  
1 1 1 -4  59  3  o 114.422 3.3746  7095.38    418.216  7173.65    511.302  6937.16    726.953  115.031 4.1038  112.895 5.9663  2.136391       7.241448  
1 1 1 -4  59  4  o 77.781  2.8098  3277.99    236.707  3132.31    338.255  3417.79    331.361  75.898  4.1303  79.404  3.8529  -3.506256      5.648387  
1 1 1 -4  59  5  o 268.608 4.8222  39134.36   1402.93  39032.56   1985.99  39235.76   1982.09  268.047 6.8406  268.747 6.8094  -0.7006531     9.652074  
1 1 1 -4  59  6  o 167.401 3.4954  15188.92   633.763  15089.80   897.225  15287.62   895.331  166.781 4.9669  167.873 4.9242  -1.092117      6.994081  
1 1 1 -4  59  7  o 167.233 3.4650  15158.88   627.619  15500.36   889.164  14819.80   886.020  169.034 4.8567  165.276 4.9495  3.757950       6.934342  
1 1 1 -4  59  8  o 213.637 5.6331  24778.57   1303.44  28586.23   1848.77  21015.29   1837.96  229.252 7.4456  196.415 8.6395  32.83643       11.40518  
1 1 1 -4  59  9  o 280.655 7.1006  42835.81   2158.43  43268.48   3054.79  42404.46   3050.17  281.486 10.020  278.641 10.107  2.844818       14.23163  
1 1 1 -4  59  10 o 362.928 8.8585  71834.88   3482.17  73158.49   4927.88  70514.85   4921.19  365.005 12.465  358.263 12.682  6.742371       17.78247  
1 1 1 -4  59  11 o 242.278 4.4903  31853.34   1178.30  31577.64   1668.64  32127.55   1664.11  240.975 6.3932  243.075 6.3208  -2.100510      8.990320  
1 1 1 -4  59  12 o 235.330 4.3752  30057.37   1115.19  29826.23   1577.63  30288.22   1576.61  234.161 6.2204  235.976 6.1686  -1.815247      8.760443  
1 1 1 -4  59  13 o 168.186 3.6002  15345.61   655.832  15225.37   937.318  15460.94   917.957  167.370 5.1706  168.677 5.0245  -1.306793      7.209779  
1 1 1 -4  59  14 o 83.452  3.1726  3777.75    286.762  3852.88    418.737  3711.40    393.523  84.075  4.6161  82.535  4.4182  1.539749       6.389686  
1 1 1 -4  59  15 o 58.929  3.4516  1891.53    219.343  1918.31    316.617  1866.81    304.154  59.162  4.9876  58.376  4.8545  0.7864075      6.960066  
1 1 1 -4  59  16 o 110.972 3.0983  6685.02    372.401  6734.02    534.742  6638.88    518.923  111.238 4.4383  110.462 4.3373  0.7764969      6.205747  
1 1 1 -4  59  17 o 79.840  3.0943  3462.16    267.579  3403.29    382.021  3518.86    374.908  78.906  4.4886  80.264  4.3285  -1.358467      6.235650  
1 1 1 -4  59  18 o 54.212  3.8693  1608.20    225.704  1706.81    325.051  1516.39    313.643  55.582  5.4703  52.328  5.6221  3.253685       7.844237  
1 1 1 -4  59  19 o 50.565  3.8014  1400.65    206.669  1486.04    303.461  1326.80    282.241  51.781  5.4948  48.912  5.4186  2.868397       7.717161  
1 1 1 -4  59  20 o 117.082 4.3172  7492.17    547.471  0.0000     0.0000   7492.17    547.471  ?       ?       117.082 4.3172  0.000000       4.317199  
1 1 1 -4  59  21 o 62.752  4.5724  2168.76    308.630  0.0000     0.0000   2168.76    308.630  ?       ?       62.752  4.5724  0.000000       4.572372  
1 1 1 -4  59  22 o 90.064  4.3498  4448.42    424.319  0.0000     0.0000   4448.42    424.319  ?       ?       90.064  4.3498  0.000000       4.349817  
1 1 1 -4  59  23 o 60.376  5.1315  2028.73    332.388  0.0000     0.0000   2028.73    332.388  ?       ?       60.376  5.1315  0.000000       5.131516  
1 1 1 -4  59  24 o 63.958  5.0353  2280.53    345.988  0.0000     0.0000   2280.53    345.988  ?       ?       63.958  5.0353  0.000000       5.035262  
1 1 1 -4  59  25 o 41.412  7.3088  1005.44    315.835  0.0000     0.0000   1005.44    315.835  ?       ?       41.412  7.3088  0.000000       7.308752  
1 1 1 -4  59  26 o 27.499  7.1400  453.956    214.539  526.683    476.837  435.497    240.227  30.100  11.096  26.883  7.7957  3.217596       13.56036  
1 1 1 -4  59  27 o 46.911  2.2259  1203.04    113.099  1214.44    123.658  1144.71    279.725  47.029  2.4360  44.166  6.0032  2.863464       6.478590  
1 1 1 -4  59  28 o 39.467  5.7803  920.266    239.766  582.953    520.114  1011.29    270.187  29.683  11.442  41.119  6.2646  -11.43653      13.04516  
1 1 1 -4  59  29 o 41.131  8.0347  1089.10    345.103  0.0000     0.0000   1089.10    345.103  ?       ?       41.131  8.0347  0.000000       8.034653  
1 1 1 -4  59  30 o 37.619  8.8845  971.517    356.223  0.0000     0.0000   971.517    356.223  ?       ?       37.619  8.8845  0.000000       8.884509  
1 1 1 -4  59  31 f 29.533  9.5593  637.741    348.950  0.0000     0.0000   637.741    348.950  ?       ?       29.533  9.5593  0.000000       9.559298  
1 1 1 -4  60  1  o 271.599 5.5189  40027.03   1623.49  42447.90   2813.80  38818.94   1987.72  279.185 9.3053  267.325 6.8651  11.86035       11.56366  
1 1 1 -4  60  2  o 258.063 5.8853  36147.25   1644.99  36186.67   2123.82  36088.14   2600.69  258.009 7.6000  257.413 9.3280  0.5967102      12.03209  
1 1 1 -4  60  3  o 56.646  2.8585  1743.10    174.812  1851.33    254.393  1646.27    240.625  58.296  4.0542  54.955  4.0716  3.341404       5.745849  
1 1 1 -4  60  4  o 272.968 4.9029  40417.99   1449.57  38505.48   2049.99  42330.55   2050.01  266.192 7.1103  279.144 6.7804  -12.95197      9.824981  
1 1 1 -4  60  5  o 203.236 3.9376  22393.13   866.776  23049.36   1226.52  21738.42   1225.10  206.086 5.4948  200.127 5.6519  5.958679       7.882711  
1 1 1 -4  60  6  o 206.912 3.9722  23212.08   890.204  24229.91   1262.39  22205.31   1255.51  211.286 5.5164  202.248 5.7315  9.037796       7.954894  
1 1 1 -4  60  7  o 305.427 7.5964  50746.07   2512.95  51805.12   3559.61  49693.86   3548.10  307.927 10.673  301.539 10.864  6.387695       15.22938  
1 1 1 -4  60  8  f 390.944 9.4878  83378.86   4017.44  83064.42   5683.59  83692.84   5679.44  388.753 13.498  390.247 13.437  -1.493835      19.04606  
1 1 1 -4  60  9  o 348.137 8.5524  66054.13   3224.82  66080.11   4565.09  66028.26   4556.10  347.090 12.143  346.961 12.124  0.1291809      17.15953  
1 1 1 -4  60  10 o 190.292 3.7917  19637.55   781.492  19536.95   1103.70  19738.70   1106.70  189.670 5.3725  190.648 5.3595  -0.9780884     7.588733  
1 1 1 -4  60  11 o 296.803 5.2884  47851.14   1700.06  48323.43   2403.53  47378.30   2404.97  297.821 7.4512  294.875 7.5301  2.945648       10.59352  
1 1 1 -4  60  12 o 182.404 3.9368  18053.02   777.762  18644.69   1046.22  17322.08   1162.84  185.233 5.2148  178.442 6.0166  6.791138       7.962002  
1 1 1 -4  60  13 o 97.688  3.1307  5175.55    331.252  5122.10    479.257  5224.45    458.364  97.103  4.5568  98.084  4.3146  -0.9810028     6.275390  
1 1 1 -4  60  14 o 214.401 4.0822  24969.19   947.953  24617.11   1345.83  25315.86   1335.44  212.548 5.8461  215.572 5.7196  -3.023819      8.178624  
1 1 1 -4  60  15 o 167.499 3.5228  15235.24   639.095  15270.75   912.971  15201.12   894.932  167.456 5.0337  167.090 4.9450  0.3659821      7.056292  
1 1 1 -4  60  16 o 129.440 3.2020  9098.71    448.906  8864.63    643.924  9320.05    626.148  127.568 4.6604  130.842 4.4183  -3.274399      6.421918  
1 1 1 -4  60  17 o 134.920 3.2386  9891.59    473.269  9713.20    678.619  10060.51   660.361  133.449 4.6951  135.855 4.4878  -2.406555      6.494931  
1 1 1 -4  60  18 o 94.356  3.0364  4838.21    310.310  5151.75    446.856  4546.20    431.250  97.204  4.2444  91.296  4.3612  5.908539       6.085620  
1 1 1 -4  60  19 o 41.771  2.2102  949.555    99.641   1433.98    302.137  890.440    105.545  50.820  5.5809  40.425  2.4217  10.39497       6.083690  
1 1 1 -4  60  20 o 88.736  3.0194  4284.20    290.196  4975.94    610.320  4082.13    329.871  94.812  5.9738  86.546  3.5191  8.266800       6.933238  
1 1 1 -4  60  21 o 40.789  1.6841  902.501    74.403   445.139    440.064  915.960    75.490   29.632  10.699  41.091  1.6962  -11.45986      10.83242  
1 1 1 -4  60  22 o 20.256  7.5778  180.606    224.020  140.551    422.151  196.307    264.304  24.125  9.9596  21.553  8.1937  2.571760       12.89691  
1 1 1 -4  60  23 o 83.174  4.6218  3822.92    414.719  0.0000     0.0000   3822.92    414.719  ?       ?       83.174  4.6218  0.000000       4.621822  
1 1 1 -4  60  24 o 60.507  5.2121  2047.69    338.244  0.0000     0.0000   2047.69    338.244  ?       ?       60.507  5.2121  0.000000       5.212126  
1 1 1 -4  60  25 o 19.251  7.8935  98.987     262.921  0.0000     0.0000   98.987     262.921  ?       ?       19.251  7.8935  0.000000       7.893462  
1 1 1 -4  60  26 o 32.434  8.0716  647.531    282.417  0.0000     0.0000   647.531    282.417  ?       ?       32.434  8.0716  0.000000       8.071568  
1 1 1 -4  60  27 o 58.081  5.3999  1947.01    335.809  0.0000     0.0000   1947.01    335.809  ?       ?       58.081  5.3999  0.000000       5.399945  
1 1 1 -4  60  28 o 55.687  5.2127  1795.35    310.741  0.0000     0.0000   1795.35    310.741  ?       ?       55.687  5.2127  0.000000       5.212666  
1 1 1 -4  60  29 o 27.204  9.0402  497.104    311.251  0.0000     0.0000   497.104    311.251  ?       ?       27.204  9.0402  0.000000       9.040161  
1 1 1 -4  60  30 o 42.817  7.9055  1199.02    353.112  0.0000     0.0000   1199.02    353.112  ?       ?       42.817  7.9055  0.000000       7.905510  
1 1 1 -4  60  31 o 28.749  9.5653  601.327    348.424  0.0000     0.0000   601.327    348.424  ?       ?       28.749  9.5653  0.000000       9.565328  
1 1 1 -4  61  1  o 379.263 9.2116  78345.42   3783.95  80215.91   5352.38  76476.43   5350.25  382.708 12.912  373.580 13.223  9.128540       18.48166  
1 1 1 -4  61  2  o 93.190  3.2521  4706.42    328.249  4954.74    402.469  4213.08    567.285  95.602  3.8868  87.891  5.9949  7.710495       7.144707  
1 1 1 -4  61  3  o 301.815 5.3146  49428.21   1737.31  51027.36   2458.71  47833.66   2455.16  306.375 7.4094  296.596 7.6427  9.778717       10.64470  
1 1 1 -4  61  4  o 49.764  3.2882  1348.03    176.236  1258.33    251.735  1434.25    246.809  47.911  4.9210  51.230  4.4934  -3.319035      6.663871  
1 1 1 -4  61  5  o 332.625 5.7651  60064.63   2076.97  60340.29   2938.53  59789.45   2936.03  332.980 8.1478  331.451 8.1785  1.529480       11.54444  
1 1 1 -4  61  6  o 75.752  4.1024  3120.75    335.334  3351.94    489.340  2916.07    460.446  78.357  5.8072  73.048  5.8692  5.308502       8.256594  
1 1 1 -4  61  7  o 158.643 4.8128  13655.10   826.976  12655.37   1173.19  14642.40   1165.88  152.557 7.1001  164.146 6.5577  -11.58911      9.665177  
1 1 1 -4  61  8  o 161.283 4.7987  14114.75   838.276  15105.66   1191.71  13144.21   1179.39  166.702 6.6002  155.467 7.0041  11.23560       9.623902  
1 1 1 -4  61  9  o 223.032 4.2172  26983.80   1018.73  27289.48   1440.74  26678.16   1440.65  224.108 5.9355  221.576 6.0030  2.532761       8.441917  
1 1 1 -4  61  10 o 37.202  4.6779  763.002    184.322  886.830    266.976  650.219    254.791  39.889  6.3955  33.928  7.1586  5.961502       9.599374  
1 1 1 -4  61  11 o 140.773 3.2299  10745.22   492.466  10869.83   681.380  10608.95   712.570  141.510 4.4456  139.782 4.7066  1.728058       6.474235  
1 1 1 -4  61  12 o 204.769 3.8930  22754.73   863.417  22927.26   1225.59  22584.73   1216.57  205.330 5.5109  203.790 5.5117  1.539703       7.794130  
1 1 1 -4  61  13 o 163.156 3.6772  14448.16   649.817  14300.86   884.858  14620.59   957.382  162.163 5.0379  163.916 5.3925  -1.752899      7.379699  
1 1 1 -4  61  14 o 149.630 3.3519  12151.87   543.229  12430.29   774.901  11882.82   761.751  151.169 4.7328  147.799 4.7585  3.369995       6.711373  
1 1 1 -4  61  15 o 34.858  5.0848  675.800    186.323  463.603    276.039  853.391    252.529  28.729  8.3639  39.053  6.1756  -10.32350      10.39679  
1 1 1 -4  61  16 o 209.606 4.0593  23907.91   921.568  23120.05   1305.00  24691.66   1301.60  205.588 5.8606  212.534 5.6543  -6.945999      8.143565  
1 1 1 -4  61  17 o 35.871  4.8252  714.730    182.716  558.015    259.810  868.087    257.011  31.177  7.7319  39.309  6.2454  -8.132502      9.939139  
1 1 1 -4  61  18 o 118.746 3.1540  7666.05    405.655  7890.35    589.222  7463.95    559.310  120.224 4.5250  116.952 4.4154  3.271278       6.322321  
1 1 1 -4  61  19 o 108.935 3.0849  6454.78    363.979  6452.79    523.450  6456.65    506.460  108.662 4.4476  108.726 4.3007  -0.6450653E-01 6.186873  
1 1 1 -4  61  20 o 60.261  2.4647  1972.92    160.871  1754.97    485.812  1999.76    170.490  55.360  8.3628  60.659  2.5950  -5.298756      8.756195  
1 1 1 -4  61  21 o 62.726  3.5150  2153.66    237.843  2663.76    513.164  2014.09    268.414  68.779  6.9856  60.531  4.1186  8.247631       8.109318  
1 1 1 -4  61  22 o 32.038  1.0943  556.350    37.971   303.221    425.547  558.382    38.123   26.700  10.334  32.096  1.0966  -5.395756      10.39205  
1 1 1 -4  61  23 o 38.424  5.5046  835.461    222.544  719.942    463.694  870.033    253.668  34.610  11.000  39.009  6.2122  -4.398479      12.63326  
1 1 1 -4  61  24 o 56.114  4.2597  1744.58    256.959  1685.85    515.485  1764.00    296.411  53.012  9.3179  56.219  4.9174  -3.206429      10.53585  
1 1 1 -4  61  25 o 23.230  8.4274  279.457    273.517  0.0000     0.0000   279.457    273.517  ?       ?       23.230  8.4274  0.000000       8.427443  
1 1 1 -4  61  26 o 86.220  4.6027  4174.59    428.274  0.0000     0.0000   4174.59    428.274  ?       ?       86.220  4.6027  0.000000       4.602721  
1 1 1 -4  61  27 o 29.070  8.4663  541.813    282.793  0.0000     0.0000   541.813    282.793  ?       ?       29.070  8.4663  0.000000       8.466334  
1 1 1 -4  61  28 o 19.601  8.0359  146.049    272.445  0.0000     0.0000   146.049    272.445  ?       ?       19.601  8.0359  0.000000       8.035935  
1 1 1 -4  61  29 o 18.089  7.9245  34.488     296.571  0.0000     0.0000   34.488     296.571  ?       ?       18.089  7.9245  0.000000       7.924485  
1 1 1 -4  61  30 o 50.675  7.1822  1626.92    383.175  0.0000     0.0000   1626.92    383.175  ?       ?       50.675  7.1822  0.000000       7.182226  
1 1 1 -4  62  1  o 449.083 8.7465  109814.60  4254.35  110690.60  5210.47  108062.70  7368.79  450.268 10.684  442.984 15.358  7.283691       18.70883  
1 1 1 -4  62  2  o 293.002 5.2151  46583.45   1655.04  46270.75   2342.01  46895.39   2339.14  291.726 7.4122  293.698 7.3534  -1.971680      10.44087  
1 1 1 -4  62  3  o 196.132 3.8256  20854.56   812.671  20750.58   1151.89  20957.61   1146.70  195.535 5.4390  196.512 5.3876  -0.9770203     7.655607  
1 1 1 -4  62  4  o 36.154  4.0809  717.777    157.005  588.231    225.704  839.239    218.547  32.313  6.6701  38.966  5.3170  -6.653458      8.530007  
1 1 1 -4  62  5  o 186.259 5.2707  18828.47   1063.29  18891.53   1518.68  18767.84   1489.19  186.361 7.5239  185.763 7.4015  0.5979004      10.55421  
1 1 1 -4  62  6  o 133.511 4.4477  9668.64    643.168  9106.04    917.607  10211.97   901.754  129.281 6.5749  137.117 6.0719  -7.835831      8.949710  
1 1 1 -4  62  7  o 210.083 5.7461  23968.36   1307.47  23308.95   1858.71  24614.22   1839.52  206.861 8.2959  212.618 7.9879  -5.758011      11.51646  
1 1 1 -4  62  8  o 130.176 3.1056  9185.22    437.876  9037.65    621.586  9330.59    616.939  129.066 4.4465  131.146 4.3433  -2.080536      6.215743  
1 1 1 -4  62  9  o 329.747 5.7342  59079.59   2047.96  59759.54   2896.63  58399.99   2895.88  331.102 8.0772  327.289 8.1692  3.812408       11.48811  
1 1 1 -4  62  10 o 217.617 4.1517  25696.09   978.553  26113.86   1383.29  25277.61   1384.48  219.173 5.8271  215.621 5.9282  3.552246       8.312620  
1 1 1 -4  62  11 o 268.854 4.8574  39264.08   1414.45  39089.44   2000.86  39438.54   1999.81  267.842 6.8971  269.044 6.8627  -1.201538      9.729682  
1 1 1 -4  62  12 o 240.103 4.4438  31313.71   1155.65  32492.05   1635.47  30138.63   1633.20  244.237 6.1824  235.174 6.4118  9.062698       8.906956  
1 1 1 -4  62  13 o 136.760 3.2375  10148.10   479.552  10317.15   686.819  9987.28    669.877  137.761 4.6031  135.545 4.5629  2.215668       6.481372  
1 1 1 -4  62  14 o 147.946 3.3265  11882.10   533.034  11721.87   762.794  12035.01   745.163  146.754 4.7989  148.728 4.6258  -1.973587      6.665441  
1 1 1 -4  62  15 o 153.961 3.3995  12875.98   566.888  13237.94   805.715  12521.14   797.747  155.881 4.7722  151.585 4.8589  4.295547       6.810480  
1 1 1 -4  62  16 o 11.659  5.3936  -132.9969  160.671  -167.3022  237.766  -104.1670  217.967  14.526  6.6619  14.622  6.5755  -0.9586048E-01 9.360433  
1 1 1 -4  62  17 f 127.435 3.2022  8827.29    441.981  8511.67    635.410  9123.15    615.192  124.870 4.6981  129.343 4.3914  -4.472351      6.430894  
1 1 1 -4  62  18 o 94.257  3.0829  4830.30    314.735  4803.82    453.217  4854.96    437.409  93.797  4.4612  94.325  4.2814  -0.5284119     6.183261  
1 1 1 -4  62  19 o 143.173 3.3347  11161.30   517.120  10869.27   746.667  11430.50   716.878  140.850 4.8944  144.545 4.5790  -3.694824      6.702445  
1 1 1 -4  62  20 o 113.245 3.6972  6997.73    453.483  6685.94    790.974  7150.39    553.479  109.570 6.6972  114.275 4.4718  -4.705696      8.052871  
1 1 1 -4  62  21 o 126.211 3.2475  8685.59    443.934  9004.87    898.030  8582.34    510.699  127.035 6.5490  125.312 3.7627  1.723152       7.552997  
1 1 1 -4  62  22 o 51.740  4.2574  1479.22    236.464  1551.88    488.223  1456.95    270.281  51.300  9.1211  51.172  4.9379  0.1278839      10.37195  
1 1 1 -4  62  23 o 55.246  4.1324  1686.93    245.479  1446.55    506.779  1760.63    280.595  48.877  9.9120  56.300  4.6430  -7.422741      10.94557  
1 1 1 -4  62  24 o 45.968  5.0000  1185.83    244.929  1264.73    491.774  1159.81    282.453  45.226  10.273  45.145  5.9192  0.8164597E-01  11.85649  
1 1 1 -4  62  25 o 15.532  6.7196  -5.0795    207.668  337.517    442.393  -101.9087  235.191  26.742  10.484  14.978  6.7740  11.76399       12.48235  
1 1 1 -4  62  26 o 5.8137  2.6874  -32.1643   39.779   -45.0795   40.339   423.552    239.618  5.5004  2.5952  26.251  7.8329  -20.75041      8.251629  
1 1 1 -4  62  27 o 22.281  8.0973  279.725    252.667  535.908    479.071  181.005    297.391  29.011  11.031  20.914  8.4625  8.096807       13.90287  
1 1 1 -4  62  28 o 39.359  7.4096  968.685    304.282  0.0000     0.0000   968.685    304.282  ?       ?       39.359  7.4096  0.000000       7.409613  
1 1 1 -4  62  29 o 28.176  9.0638  543.496    314.077  0.0000     0.0000   543.496    314.077  ?       ?       28.176  9.0638  0.000000       9.063758  
1 1 1 -4  62  30 o 15.315  7.1652  -177.0247  296.370  0.0000     0.0000   -177.0247  296.370  ?       ?       15.315  7.1652  0.000000       7.165190  
1 1 1 -4  63  1  o 83.730  3.1633  3799.52    286.876  3237.84    345.824  5038.92    513.706  77.161  4.1533  96.245  4.9447  -19.08402      6.457494  
1 1 1 -4  63  2  o 211.180 4.0242  24181.55   920.455  23843.12   1301.36  24520.36   1302.08  209.564 5.7334  212.526 5.6566  -2.962463      8.054108  
1 1 1 -4  63  3  o 90.054  2.8502  4394.56    277.996  4536.88    400.733  4262.52    385.975  91.471  4.0448  88.663  4.0193  2.808167       5.702209  
1 1 1 -4  63  4  o 154.058 4.7019  12875.53   784.570  12048.72   1112.90  13692.46   1106.22  148.880 6.9016  158.750 6.4337  -9.869766      9.435292  
1 1 1 -4  63  5  o 171.871 4.9521  16029.09   921.849  17026.77   1310.29  15051.25   1297.19  176.981 6.8355  166.363 7.1991  10.61774       9.927295  
1 1 1 -4  63  6  o 338.534 8.3219  62430.86   3051.39  63070.43   4321.78  61795.09   4308.87  339.274 11.761  335.798 11.847  3.476471       16.69359  
1 1 1 -4  63  7  o 310.542 5.4743  52369.09   1841.27  53297.25   2604.33  51441.48   2603.58  312.865 7.6854  307.340 7.8213  5.524750       10.96537  
1 1 1 -4  63  8  o 199.583 3.8774  21604.01   838.180  21971.26   1189.24  21241.50   1181.53  201.126 5.4592  197.751 5.5164  3.374435       7.761035  
1 1 1 -4  63  9  o 214.879 4.0896  25050.69   951.792  25323.43   1348.96  24780.31   1343.13  215.851 5.7700  213.518 5.8078  2.332336       8.186796  
1 1 1 -4  63  10 o 238.697 4.4302  30930.20   1145.36  30131.05   1620.65  31727.64   1618.92  235.292 6.3593  241.477 6.1898  -6.184875      8.874412  
1 1 1 -4  63  11 o 68.915  3.1358  2575.57    234.061  2537.19    327.107  2615.84    335.061  68.207  4.4522  69.257  4.4910  -1.049538      6.323871  
1 1 1 -4  63  12 o 62.560  3.5127  2130.58    237.052  1965.48    360.677  2256.12    314.526  59.824  5.6328  64.274  4.5474  -4.450005      7.239275  
1 1 1 -4  63  13 o 95.808  3.0222  4980.04    313.615  5206.70    447.061  4760.42    440.059  97.881  4.2170  93.582  4.3416  4.298653       6.052454  
1 1 1 -4  63  14 o 212.567 4.1170  24569.50   947.860  23984.36   1345.62  25145.78   1335.39  209.565 5.9284  214.634 5.7443  -5.068939      8.254866  
1 1 1 -4  63  15 o 155.752 3.4663  13182.62   584.754  13069.34   839.981  13289.15   814.540  154.793 5.0101  156.131 4.8167  -1.338455      6.949983  
1 1 1 -4  63  16 o 51.968  3.7511  1476.93    209.717  1464.29    309.919  1487.61    284.834  51.425  5.6578  51.938  5.1304  -0.5127716     7.637483  
1 1 1 -4  63  17 o 115.769 3.1105  7284.53    390.020  7222.61    555.744  7344.62    547.491  115.055 4.4596  116.043 4.3560  -0.9876175     6.234027  
1 1 1 -4  63  18 o 102.380 3.0385  5699.36    336.933  5549.52    511.057  5814.56    448.114  100.747 4.6835  103.256 4.0068  -2.509651      6.163580  
1 1 1 -4  63  19 o 94.166  3.1756  4826.52    323.881  5198.62    482.995  4522.50    436.587  97.464  4.5754  90.935  4.4327  6.529472       6.370500  
1 1 1 -4  63  20 o 20.322  7.6251  177.423    227.163  579.713    410.233  -0.4809    272.806  31.984  10.366  18.119  7.7686  13.86535       12.95399  
1 1 1 -4  63  21 o 67.524  3.4731  2495.87    253.146  3031.91    532.639  2339.46    287.717  73.403  6.7760  65.231  4.0930  8.172096       7.916299  
1 1 1 -4  63  22 o 25.416  7.2212  374.154    208.132  381.222    432.917  372.029    237.364  28.074  10.528  25.504  7.8360  2.569849       13.12404  
1 1 1 -4  63  23 o 101.003 3.2604  5578.33    356.678  5077.29    719.864  5741.36    410.627  94.456  7.0881  102.326 3.7050  -7.869469      7.998024  
1 1 1 -4  63  24 o 18.961  7.4270  136.626    221.843  192.729    437.529  117.211    257.381  24.736  10.167  19.489  7.8773  5.246675       12.86173  
1 1 1 -4  63  25 o 50.198  2.9267  1385.53    158.435  2013.23    530.438  1324.05    166.013  57.487  8.7992  49.011  3.1440  8.475613       9.343968  
1 1 1 -4  63  26 o 79.022  2.8141  3432.14    240.857  3486.39    618.813  3422.46    261.476  75.923  7.6283  78.803  3.0635  -2.879509      8.220504  
1 1 1 -4  63  27 o 44.892  4.9929  1160.90    238.651  1184.41    518.122  1154.56    268.871  40.657  11.339  44.360  5.7299  -3.703850      12.70414  
1 1 1 -4  63  28 o 32.678  7.8044  685.964    272.422  0.0000     0.0000   685.964    272.422  ?       ?       32.678  7.8044  0.000000       7.804354  
1 1 1 -4  63  29 o 17.307  7.7378  -18.3618   297.121  0.0000     0.0000   -18.3618   297.121  ?       ?       17.307  7.7378  0.000000       7.737827  
1 1 1 -4  63  30 o 16.080  7.5073  -170.1623  322.529  0.0000     0.0000   -170.1623  322.529  ?       ?       16.080  7.5073  0.000000       7.507320  
1 1 1 -4  64  1  o 121.272 2.9900  7970.14    392.741  7559.02    553.032  8388.44    557.840  118.058 4.3250  124.374 4.1411  -6.316071      5.987817  
1 1 1 -4  64  2  o 147.776 3.2759  11836.36   524.336  12036.92   740.483  11634.67   742.567  148.962 4.5895  146.447 4.6815  2.515091       6.555932  
1 1 1 -4  64  3  o 203.210 5.4766  22417.01   1205.39  23397.65   1716.81  21463.62   1692.79  207.371 7.6437  198.588 7.8701  8.783264       10.97108  
1 1 1 -4  64  4  o 33.479  6.5102  629.958    227.569  327.864    361.484  828.287    292.894  26.864  9.6971  38.393  7.3105  -11.52843      12.14406  
1 1 1 -4  64  5  o 212.889 5.7645  24615.17   1329.18  22551.59   1881.78  26669.82   1877.71  203.420 8.5409  221.326 7.8329  -17.90625      11.58890  
1 1 1 -4  64  6  o 161.109 3.4423  14071.92   600.672  13434.13   851.124  14704.79   847.842  157.320 4.9950  164.610 4.7554  -7.289703      6.896697  
1 1 1 -4  64  7  o 233.769 4.3595  29649.97   1103.82  29242.04   1562.49  30056.37   1559.58  231.931 6.2200  235.152 6.1233  -3.220963      8.728301  
1 1 1 -4  64  8  o 251.620 4.6118  34365.44   1256.85  34290.30   1780.27  34440.09   1774.65  251.055 6.5471  251.609 6.5120  -0.5538940     9.234232  
1 1 1 -4  64  9  o 220.279 4.1797  26332.47   997.204  26903.64   1413.28  25766.16   1407.26  222.430 5.8663  217.662 5.9693  4.768707       8.369327  
1 1 1 -4  64  10 o 166.653 3.5083  15065.68   633.263  14812.16   894.552  15320.36   896.591  165.102 5.0024  167.919 4.9297  -2.816620      7.023299  
1 1 1 -4  64  11 o 207.814 4.0293  23448.04   906.932  23521.20   1281.63  23374.67   1283.56  207.872 5.6924  207.218 5.7190  0.6535034      8.069097  
1 1 1 -4  64  12 o 81.512  3.1057  3604.63    274.193  3307.14    399.041  3870.72    377.399  77.839  4.7559  84.410  4.1280  -6.570229      6.297554  
1 1 1 -4  64  13 o 121.139 3.1501  7964.41    413.317  7702.21    593.860  8210.75    575.605  118.980 4.6083  122.880 4.3249  -3.899178      6.319876  
1 1 1 -4  64  14 o 118.110 3.1324  7574.03    400.714  7660.79    576.127  7492.73    557.710  118.626 4.4840  117.330 4.3886  1.295494       6.274293  
1 1 1 -4  64  15 o 282.834 5.0877  43664.39   1558.56  43163.88   2205.61  44163.55   2202.66  280.064 7.2711  283.347 7.1773  -3.282410      10.21678  
1 1 1 -4  64  16 o 173.420 3.7967  16369.29   713.144  16188.80   964.148  16587.31   1059.68  172.091 5.1727  174.050 5.6212  -1.958908      7.639035  
1 1 1 -4  64  17 o 87.289  3.0997  4142.13    293.058  4315.45    429.200  3990.75    401.117  88.803  4.4767  85.414  4.3503  3.389847       6.242251  
1 1 1 -4  64  18 o 21.925  6.6993  266.969    173.766  218.536    251.114  311.469    240.702  21.929  8.0566  24.101  7.9471  -2.172224      11.31658  
1 1 1 -4  64  19 o 99.761  3.2115  5418.85    347.009  5877.94    526.107  5065.33    461.672  103.586 4.6892  96.219  4.4300  7.367439       6.450887  
1 1 1 -4  64  20 o 56.271  4.7528  1750.25    286.960  1701.43    566.681  1767.09    332.783  53.662  10.121  56.346  5.5239  -2.684570      11.53045  
1 1 1 -4  64  21 o 125.586 3.2736  8606.82    445.282  8520.26    892.387  8635.51    513.818  123.296 6.7077  125.637 3.7759  -2.341248      7.697405  
1 1 1 -4  64  22 o 104.994 3.2748  6023.00    372.413  6038.34    740.451  6017.81    430.878  103.532 6.6381  104.791 3.7963  -1.258438      7.646985  
1 1 1 -4  64  23 o 8.3225  2.8906  33.869     31.868   65.598     428.566  33.693     31.956   22.956  9.7869  8.3148  2.8942  14.64106       10.20591  
1 1 1 -4  64  24 o 41.696  4.8174  977.993    213.553  1023.34    365.767  954.541    263.041  41.198  8.4797  40.720  6.1562  0.4779854      10.47871  
1 1 1 -4  64  25 f 83.389  3.4660  3834.75    313.044  4086.32    640.189  3755.70    358.875  83.439  7.1530  82.267  4.0276  1.172150       8.208977  
1 1 1 -4  64  26 o 23.741  7.5765  341.456    219.791  252.630    472.848  365.938    248.239  24.964  10.442  24.530  8.0697  0.4341984      13.19692  
1 1 1 -4  64  27 o 43.231  5.4203  1090.37    248.218  887.422    515.153  1151.73    283.269  34.869  11.632  44.042  6.1023  -9.172642      13.13578  
1 1 1 -4  64  28 o 62.203  5.3597  2260.79    357.571  0.0000     0.0000   2260.79    357.571  ?       ?       62.203  5.3597  0.000000       5.359670  
1 1 1 -4  64  29 o 29.381  9.5882  612.791    350.720  0.0000     0.0000   612.791    350.720  ?       ?       29.381  9.5882  0.000000       9.588241  
1 1 1 -4  65  1  o 171.869 3.5385  16013.53   658.698  15835.45   930.838  16192.14   932.242  170.820 5.0311  172.736 4.9828  -1.916580      7.081006  
1 1 1 -4  65  2  o 158.672 4.7432  13660.42   815.156  14060.33   1153.23  13261.10   1152.38  160.833 6.6202  156.178 6.8125  4.654953       9.499286  
1 1 1 -4  65  3  o 242.432 6.2018  31934.89   1628.46  34168.66   2309.66  29726.77   2296.37  250.399 8.5162  233.456 9.0817  16.94234       12.44998  
1 1 1 -4  65  4  o 589.699 14.109  191694.50  9011.44  183540.59  12745.68 199844.41  12742.53 571.364 20.596  597.134 19.702  -25.76984      28.50201  
1 1 1 -4  65  5  o 105.694 2.9539  6054.71    338.151  5939.31    479.056  6169.32    477.384  104.637 4.2270  106.647 4.1328  -2.010826      5.911673  
1 1 1 -4  65  6  o 285.502 5.0965  44256.45   1575.99  44405.83   2229.22  44107.18   2228.36  285.617 7.2061  284.650 7.2277  0.9664917      10.20625  
1 1 1 -4  65  7  o 301.070 5.3257  49236.99   1736.66  49939.83   2459.99  48538.69   2452.05  302.760 7.5018  298.463 7.5852  4.297424       10.66830  
1 1 1 -4  65  8  o 55.054  3.4460  1650.14    204.447  1615.20    304.528  1678.80    275.856  54.274  5.2458  55.415  4.6388  -1.140381      7.002624  
1 1 1 -4  65  9  o 129.839 3.1576  9141.56    444.049  8646.95    634.027  9617.74    622.104  126.182 4.6392  133.102 4.3153  -6.920189      6.335886  
1 1 1 -4  65  10 o 247.947 4.5625  33398.50   1225.26  33900.17   1733.07  32897.16   1732.49  249.420 6.4152  245.680 6.5108  3.740326       9.140323  
1 1 1 -4  65  11 o 151.052 3.3543  12380.75   548.777  12005.49   777.845  12752.63   774.342  148.587 4.8333  153.162 4.6678  -4.574799      6.719275  
1 1 1 -4  65  12 o 69.034  3.2521  2586.45    243.164  2399.78    356.856  2748.24    332.234  66.212  5.0133  70.969  4.3431  -4.757530      6.632905  
1 1 1 -4  65  13 o 49.146  3.8786  1320.84    204.777  1195.28    303.378  1425.92    277.542  46.367  6.1959  50.903  5.1027  -4.536255      8.026662  
1 1 1 -4  65  14 o 28.742  1.7780  449.484    55.079   518.007    272.961  446.576    56.236   30.142  8.1607  28.645  1.8220  1.497334       8.361613  
1 1 1 -4  65  15 o 67.238  3.3294  2457.18    242.469  2461.17    359.283  2453.85    328.577  66.962  4.9896  66.935  4.5594  0.2663422E-01  6.759003  
1 1 1 -4  65  16 o 44.217  4.1809  1074.87    197.850  1172.61    293.230  993.191    268.065  45.846  6.0533  42.133  6.0476  3.713108       8.556664  
1 1 1 -4  65  17 o 98.650  3.0511  5290.93    326.005  5191.07    466.389  5386.34    455.873  97.506  4.4162  99.355  4.2363  -1.849243      6.119513  
1 1 1 -4  65  18 o 121.174 3.1698  7990.24    416.011  8269.62    603.341  7737.04    574.384  122.964 4.5302  118.957 4.4580  4.007019       6.355796  
1 1 1 -4  65  19 o 118.579 3.2359  7658.36    415.592  7734.76    595.978  7586.04    579.827  118.815 4.6312  117.691 4.5487  1.123680       6.491385  
1 1 1 -4  65  20 o 88.035  3.3381  4227.02    318.293  4592.19    467.355  3911.11    434.687  91.314  4.7417  84.239  4.7840  7.074936       6.735748  
1 1 1 -4  65  21 o 42.338  4.8006  999.233    216.245  1221.23    460.884  936.565    244.871  45.187  9.7065  40.731  5.7073  4.455658       11.26006  
1 1 1 -4  65  22 o 97.451  3.2358  5189.38    341.536  5280.53    693.698  5160.21    392.389  96.710  6.6633  97.033  3.7336  -0.3234024     7.637976  
1 1 1 -4  65  23 o 91.611  3.3036  4593.22    327.796  5394.93    668.780  4339.72    376.066  97.730  6.3526  88.862  3.9073  8.868660       7.458022  
1 1 1 -4  65  24 o 23.511  7.3604  320.259    208.314  171.741    450.113  360.740    234.995  24.478  10.209  24.856  7.8234  -0.3780231     12.86205  
1 1 1 -4  65  25 o 67.938  3.7826  2566.24    277.235  2254.74    568.572  2663.40    317.541  60.215  8.9935  68.972  4.2717  -8.756733      9.956386  
1 1 1 -4  65  26 o 48.870  4.6998  1360.37    245.698  1179.38    518.517  1412.77    279.010  40.933  11.317  49.496  5.2863  -8.562954      12.49062  
1 1 1 -4  65  27 o 24.679  7.6017  380.450    223.219  579.362    484.426  326.831    251.512  29.456  11.118  23.312  8.1192  6.144075       13.76697  
1 1 1 -4  65  28 o 20.090  8.1795  173.565    279.824  0.0000     0.0000   173.565    279.824  ?       ?       20.090  8.1795  0.000000       8.179500  
1 1 1 -4  65  29 o 26.175  9.3535  464.704    335.452  0.0000     0.0000   464.704    335.452  ?       ?       26.175  9.3535  0.000000       9.353504  
1 1 1 -4  66  1  o 170.619 4.9461  15800.02   914.022  15319.85   1295.22  16276.35   1290.04  167.807 7.1263  172.993 6.8850  -5.185638      9.908952  
1 1 1 -4  66  2  o 157.734 4.7304  13501.50   808.150  13855.28   1143.35  13148.29   1142.44  159.632 6.6129  155.489 6.7837  4.142334       9.473544  
1 1 1 -4  66  3  o 214.985 5.7288  25106.61   1333.95  25915.09   1893.60  24310.16   1879.46  218.100 8.0161  211.207 8.2159  6.893234       11.47864  
1 1 1 -4  66  4  o 374.565 6.4557  76284.73   2619.05  75641.61   3704.36  76927.54   3703.43  372.218 9.1885  375.395 9.1085  -3.176910      12.93805  
1 1 1 -4  66  5  o 367.346 6.3134  73374.47   2511.95  73499.09   3552.82  73249.90   3552.04  366.916 8.9400  366.289 8.9533  0.6269531      12.65248  
1 1 1 -4  66  6  o 40.595  4.0208  902.750    174.465  827.074    255.113  969.237    239.124  38.497  6.3391  41.897  5.3949  -3.400169      8.324038  
1 1 1 -4  66  7  o 289.052 5.1450  45388.30   1610.77  45178.52   2280.74  45597.08   2275.20  287.927 7.3134  289.271 7.2618  -1.343414      10.30634  
1 1 1 -4  66  8  o 263.842 4.7727  37810.27   1363.88  38073.51   1931.40  37548.43   1926.25  264.370 6.7451  262.534 6.7742  1.835968       9.559583  
1 1 1 -4  66  9  o 144.085 3.2661  11260.51   509.707  11137.44   722.741  11382.30   718.944  143.179 4.6605  144.752 4.5856  -1.572739      6.538226  
1 1 1 -4  66  10 o 69.746  3.0835  2638.58    232.938  2491.15    340.864  2767.76    319.062  67.538  4.6888  71.266  4.1515  -3.728760      6.262587  
1 1 1 -4  66  11 o 193.904 3.8301  20419.29   804.385  20197.17   1138.92  20640.37   1136.23  192.567 5.4606  194.683 5.3885  -2.115967      7.671662  
1 1 1 -4  66  12 o 218.275 4.1555  25902.53   982.410  25890.33   1390.51  25914.68   1388.17  217.794 5.8947  217.900 5.8818  -0.1061096     8.327248  
1 1 1 -4  66  13 o 226.269 4.2856  27860.96   1050.27  27683.91   1488.35  28036.57   1482.29  224.988 6.1077  226.440 6.0438  -1.451569      8.592500  
1 1 1 -4  66  14 o 331.618 5.7952  60160.58   2081.50  58511.77   2944.39  61807.82   2942.99  325.278 8.3574  334.506 8.1230  -9.227966      11.65454  
1 1 1 -4  66  15 o 38.558  4.7091  823.036    192.574  816.884    294.487  827.633    254.541  37.852  7.4483  38.341  6.3519  -0.4887733     9.789020  
1 1 1 -4  66  16 o 51.198  3.6819  1434.23    202.810  1507.69    291.124  1364.97    282.694  52.238  5.2151  49.654  5.3404  2.583885       7.464427  
1 1 1 -4  66  17 o 16.656  6.4830  96.501     168.217  212.608    249.580  -0.1493    227.712  21.764  8.0266  16.663  7.1198  5.101248       10.72928  
1 1 1 -4  66  18 o 40.769  4.4668  919.680    194.016  852.508    282.165  979.917    267.205  38.648  6.9984  41.738  6.0901  -3.090149      9.277220  
1 1 1 -4  66  19 o 118.682 3.2872  7675.72    422.556  7695.68    613.459  7657.70    582.881  118.425 4.7827  118.205 4.5527  0.2199936      6.603134  
1 1 1 -4  66  20 o 65.465  2.6115  2331.60    185.168  2328.93    388.481  2332.38    210.634  64.670  5.6015  65.432  2.9721  -0.7617493     6.341193  
1 1 1 -4  66  21 f 48.283  4.5802  1293.83    236.658  1653.33    558.195  1215.05    261.305  52.466  10.190  46.592  5.2707  5.874130       11.47256  
1 1 1 -4  66  22 o 49.340  2.1952  1323.96    117.311  1391.75    478.596  1319.62    121.003  48.124  9.5191  49.252  2.2683  -1.127388      9.785620  
1 1 1 -4  66  23 o 115.743 3.2763  7335.46    410.724  6895.64    828.490  7478.78    472.930  109.904 6.9963  116.673 3.7424  -6.769554      7.934381  
1 1 1 -4  66  24 o 55.915  4.2116  1742.53    253.190  1540.41    519.975  1805.34    289.876  49.453  10.050  56.698  4.7645  -7.245041      11.12249  
1 1 1 -4  66  25 o 32.540  6.6872  637.568    227.808  618.831    475.693  643.144    259.501  30.936  11.130  32.288  7.5545  -1.351856      13.45129  
1 1 1 -4  66  26 o 4.9430  2.3376  -38.2931   33.070   -302.9151  458.022  -36.9063   33.157   18.763  8.8193  4.9929  2.3549  13.76961       9.128281  
1 1 1 -4  66  27 o 20.331  2.3227  229.462    50.228   216.167    481.478  229.608    50.504   24.127  10.332  20.335  2.3355  3.792395       10.59268  
1 1 1 -4  66  28 o 24.590  8.7064  385.486    289.999  0.0000     0.0000   385.486    289.999  ?       ?       24.590  8.7064  0.000000       8.706363  
1 1 1 -4  66  29 o 39.765  7.8982  1030.22    328.178  0.0000     0.0000   1030.22    328.178  ?       ?       39.765  7.8982  0.000000       7.898226  
1 1 1 -4  67  1  o 17.407  6.5460  120.297    167.597  123.032    272.013  118.623    212.783  20.632  8.1791  18.778  7.2964  1.853884       10.96057  
1 1 1 -4  67  2  o 278.984 7.0581  42357.32   2132.74  42491.75   3019.75  42223.52   3012.55  278.739 10.002  277.856 10.010  0.8833313      14.15106  
1 1 1 -4  67  3  o 432.744 7.3792  101974.90  3458.67  101569.40  4892.42  102379.90  4890.19  430.678 10.488  432.414 10.441  -1.736115      14.79944  
1 1 1 -4  67  4  o 359.508 6.2504  70281.77   2433.83  70558.77   3442.68  70004.98   3441.23  359.478 8.8421  358.054 8.8735  1.423889       12.52682  
1 1 1 -4  67  5  o 29.641  5.4531  492.414    168.618  504.680    241.891  480.821    235.173  29.855  7.4924  29.152  7.4271  0.7031822      10.54978  
1 1 1 -4  67  6  o 265.859 4.8211  38383.84   1388.24  39251.92   1966.70  37521.79   1959.85  268.488 6.7631  262.477 6.8938  6.011719       9.657334  
1 1 1 -4  67  7  o 168.136 3.5620  15334.73   648.673  16217.33   924.479  14478.80   910.409  172.775 4.9402  163.229 5.1495  9.545746       7.136060  
1 1 1 -4  67  8  o 25.341  5.8406  363.455    157.019  304.806    231.436  413.477    213.736  24.010  7.7864  27.055  7.1762  -3.044716      10.58899  
1 1 1 -4  67  9  o 47.931  3.5224  1253.35    181.579  1073.40    262.512  1418.44    251.428  44.054  5.6305  50.883  4.6123  -6.829212      7.278454  
1 1 1 -4  67  10 o 14.402  5.9069  36.902     147.280  57.974     227.432  21.682     193.282  17.885  7.3384  15.909  6.6670  1.976077       9.914698  
1 1 1 -4  67  11 o 51.179  3.4987  1428.81    192.781  1411.36    269.814  1447.01    275.544  50.676  4.9801  51.311  5.0224  -0.6353035     7.072955  
1 1 1 -4  67  12 o 52.084  3.6610  1481.15    205.213  1301.57    302.383  1634.47    279.406  48.472  5.8801  54.579  4.7746  -6.107037      7.574426  
1 1 1 -4  67  13 o 86.828  3.0725  4093.82    288.949  3921.05    420.701  4248.10    397.551  84.712  4.6025  88.351  4.1544  -3.638824      6.200161  
1 1 1 -4  67  14 o 38.108  1.8634  787.346    76.911   936.100    267.295  773.919    80.307   40.871  6.2357  37.728  1.9721  3.142673       6.540119  
1 1 1 -4  67  15 o 64.202  2.4583  2237.04    170.940  2207.39    327.146  2248.17    200.486  63.406  4.7992  64.336  2.8771  -0.9297142     5.595586  
1 1 1 -4  67  16 o 105.579 2.9647  6058.38    339.023  6043.93    507.218  6070.04    455.795  105.216 4.4508  105.527 3.9878  -0.3109665     5.976007  
1 1 1 -4  67  17 o 47.408  4.0246  1234.97    204.702  1180.09    303.195  1280.93    277.494  45.861  6.2680  48.011  5.4319  -2.149582      8.294135  
1 1 1 -4  67  18 o 106.751 3.1369  6203.26    362.689  6153.38    527.112  6248.10    499.816  106.010 4.5908  106.890 4.3172  -0.8805313     6.301868  
1 1 1 -4  67  19 o 84.350  3.3341  3879.14    304.601  3742.68    441.195  4003.43    421.052  82.373  4.9684  85.321  4.5729  -2.947739      6.752508  
1 1 1 -4  67  20 o 140.150 3.4118  10724.18   517.907  10472.81   749.749  10953.60   716.260  137.846 5.0217  141.134 4.6856  -3.287720      6.868225  
1 1 1 -4  67  21 f 99.483  3.2199  5404.79    346.952  5213.63    695.990  5468.00    400.226  96.161  6.7247  99.931  3.6977  -3.769447      7.674318  
1 1 1 -4  67  22 f 81.274  3.3884  3614.24    298.271  3517.23    611.311  3644.55    341.706  78.451  7.2772  81.487  3.8716  -3.035866      8.243053  
1 1 1 -4  67  23 o 76.164  3.3659  3180.70    277.668  3236.56    593.377  3165.04    314.191  74.774  7.4249  75.743  3.8424  -0.9696426     8.360258  
1 1 1 -4  67  24 o 27.625  7.2649  461.043    220.270  705.888    461.100  388.648    250.729  33.150  11.003  25.526  8.0864  7.624268       13.65456  
1 1 1 -4  67  25 o 24.570  7.7627  367.147    231.173  644.974    463.612  275.211    266.693  31.263  11.015  22.516  8.2982  8.746901       13.79072  
1 1 1 -4  67  26 o 17.994  7.2325  122.444    215.665  261.907    462.451  83.683     243.799  24.783  10.343  17.932  7.4991  6.851706       12.77569  
1 1 1 -4  67  27 o 17.562  7.4352  71.597     244.386  0.0000     0.0000   71.597     244.386  ?       ?       17.562  7.4352  0.000000       7.435201  
1 1 1 -4  67  28 o 25.671  8.8161  433.454    296.040  0.0000     0.0000   433.454    296.040  ?       ?       25.671  8.8161  0.000000       8.816139  
1 1 1 -4  67  29 o 27.789  9.0737  532.661    314.072  0.0000     0.0000   532.661    314.072  ?       ?       27.789  9.0737  0.000000       9.073703  
1 1 1 -4  68  1  f 145.689 4.5502  11520.09   718.000  11803.34   1013.73  11234.95   1017.09  147.316 6.3533  143.707 6.5345  3.608597       9.113985  
1 1 1 -4  68  2  o 175.431 3.5691  16689.82   678.157  16877.05   960.283  16503.54   957.838  176.292 5.0292  174.327 5.0729  1.965851       7.143322  
1 1 1 -4  68  3  o 67.746  2.9771  2487.95    218.450  2464.41    308.715  2511.56    309.157  67.256  4.2599  67.903  4.2245  -0.6463242     5.999484  
1 1 1 -4  68  4  o 185.386 3.7065  18641.79   744.240  18000.97   1052.14  19283.54   1052.89  182.016 5.3370  188.409 5.1596  -6.393127      7.423222  
1 1 1 -4  68  5  o 191.186 3.7883  19829.81   784.467  19649.60   1109.07  20010.24   1109.74  190.144 5.3853  191.886 5.3396  -1.742737      7.583666  
1 1 1 -4  68  6  o 116.390 3.0127  7345.03    379.784  7208.61    539.519  7479.03    534.704  115.231 4.3228  117.380 4.2058  -2.149193      6.031229  
1 1 1 -4  68  7  o 419.392 7.1597  95966.63   3252.26  96572.38   4600.73  95361.57   4598.06  419.153 10.134  416.481 10.193  2.671936       14.37358  
1 1 1 -4  68  8  o 242.633 4.4946  31985.90   1181.17  32416.35   1671.89  31556.97   1668.96  243.869 6.3297  240.596 6.4045  3.272766       9.004591  
1 1 1 -4  68  9  o 42.989  3.8543  1011.49    177.554  1046.43    267.483  983.962    237.398  43.444  5.8319  42.191  5.3129  1.253056       7.889077  
1 1 1 -4  68  10 o 113.303 2.9764  6964.96    365.256  7027.10    528.386  6908.10    505.476  113.696 4.2908  112.744 4.1394  0.9520264      5.961994  
1 1 1 -4  68  11 o 39.568  4.1303  860.408    174.399  739.682    244.209  986.060    249.141  36.252  6.4563  42.155  5.5948  -5.903385      8.543167  
1 1 1 -4  68  12 o 146.502 3.3219  11657.90   527.115  11202.03   749.383  12104.33   741.584  143.372 4.8258  149.078 4.5928  -5.706314      6.661985  
1 1 1 -4  68  13 o 83.877  3.1057  3821.24    282.145  3882.52    411.575  3766.91    387.537  84.290  4.5248  83.054  4.3230  1.235298       6.257917  
1 1 1 -4  68  14 o 13.706  5.9376  -21.6207   162.591  -205.6257  245.639  121.859    216.909  14.343  6.6468  18.858  7.3557  -4.515261      9.913987  
1 1 1 -4  68  15 o 87.680  3.0882  4178.48    293.276  4396.09    430.470  3989.98    400.645  89.763  4.4277  85.421  4.3447  4.342667       6.203288  
1 1 1 -4  68  16 o 23.156  6.6400  303.051    175.161  263.058    262.189  335.290    235.402  23.239  8.2730  24.708  7.8362  -1.468792      11.39511  
1 1 1 -4  68  17 o 59.720  3.4675  1949.17    223.322  1767.60    321.117  2119.25    310.787  56.506  5.3091  62.061  4.6575  -5.554260      7.062478  
1 1 1 -4  68  18 f 11.797  5.5379  -183.4579  179.616  -51.5868   297.607  -259.0147  225.271  18.143  7.9435  12.854  6.0855  5.288606       10.00658  
1 1 1 -4  68  19 o 75.027  3.4501  3071.72    280.361  3225.03    409.148  2936.01    384.939  76.413  4.9707  72.914  4.9028  3.498978       6.981756  
1 1 1 -4  68  20 o 45.618  5.2396  1163.62    254.183  1145.79    422.994  1173.69    318.002  43.950  9.1820  45.389  6.6672  -1.439358      11.34727  
1 1 1 -4  68  21 f 59.180  3.8162  1927.41    243.305  1797.01    482.406  1971.90    281.768  55.536  8.2723  59.710  4.3876  -4.173454      9.363882  
1 1 1 -4  68  22 o 63.231  3.8878  2204.26    264.969  1954.72    599.848  2264.76    295.346  56.741  10.132  63.974  4.2872  -7.232975      11.00193  
1 1 1 -4  68  23 o 74.433  3.6404  3047.81    293.483  3229.47    587.931  2987.52    338.700  74.548  7.3784  73.359  4.2814  1.188614       8.530575  
1 1 1 -4  68  24 o 72.767  3.6102  2927.28    284.531  3082.40    585.117  2879.25    325.624  71.879  7.6325  71.794  4.2059  0.8506775E-01  8.714599  
1 1 1 -4  68  25 f 15.304  6.7011  -14.0705   211.841  -63.9912   446.802  0.4057     240.604  20.831  9.3868  16.476  7.1799  4.354982       11.81788  
1 1 1 -4  68  26 o 35.260  6.3512  747.985    233.635  733.553    487.477  752.288    266.201  32.320  11.301  34.843  7.2881  -2.522915      13.44713  
1 1 1 -4  68  27 o 40.060  6.7915  984.959    284.146  0.0000     0.0000   984.959    284.146  ?       ?       40.060  6.7915  0.000000       6.791452  
1 1 1 -4  68  28 o 53.622  6.0732  1730.52    346.502  0.0000     0.0000   1730.52    346.502  ?       ?       53.622  6.0732  0.000000       6.073242  
1 1 1 -4  69  1  o 92.501  2.8583  4638.28    286.371  4358.63    401.623  4927.51    408.443  89.622  4.1375  95.300  3.9570  -5.677597      5.725086  
1 1 1 -4  69  2  o 95.626  2.7838  4956.71    288.324  5279.92    409.510  4638.98    406.017  98.653  3.8325  92.462  4.0543  6.191185       5.578990  
1 1 1 -4  69  3  o 125.576 3.0207  8549.51    410.849  8726.45    582.298  8374.10    579.767  126.799 4.2399  124.209 4.3095  2.590828       6.045591  
1 1 1 -4  69  4  o 74.306  2.9750  2993.54    239.436  3128.93    336.312  2854.40    340.962  75.818  4.1108  72.380  4.3698  3.437920       5.999498  
1 1 1 -4  69  5  o 147.385 3.2851  11781.37   524.406  11468.45   740.720  12095.81   742.527  145.301 4.7067  149.233 4.5938  -3.932053      6.576941  
1 1 1 -4  69  6  o 86.156  2.8708  4024.82    267.892  4238.22    380.113  3814.23    377.612  88.361  3.9717  83.815  4.1596  4.545822       5.751270  
1 1 1 -4  69  7  o 113.499 3.1017  6987.18    381.290  6391.66    555.991  7515.91    523.891  108.442 4.7337  117.645 4.1115  -9.203484      6.269937  
1 1 1 -4  69  8  o 94.661  2.9537  4860.25    302.833  4861.00    439.712  4859.57    417.678  94.587  4.2921  94.588  4.0770  -0.1144409E-02 5.919755  
1 1 1 -4  69  9  o 65.529  3.0369  2329.77    215.546  2160.61    309.830  2488.43    300.060  62.866  4.5818  67.546  4.1212  -4.680313      6.162545  
1 1 1 -4  69  10 o 48.374  3.5695  1277.81    185.699  1283.37    278.141  1273.33    249.433  48.222  5.4192  48.121  4.8520  0.1013870      7.273876  
1 1 1 -4  69  11 o 146.411 3.3185  11641.91   526.244  11493.70   752.269  11783.94   736.427  145.254 4.7816  147.105 4.6220  -1.850967      6.650338  
1 1 1 -4  69  12 o 55.787  3.4088  1697.35    204.983  1856.80    291.552  1541.50    288.257  58.188  4.6653  52.915  5.0925  5.273182       6.906380  
1 1 1 -4  69  13 o 158.729 3.4537  13697.00   593.755  13647.20   845.544  13745.44   833.970  158.124 4.9371  158.713 4.8514  -0.5894470     6.921760  
1 1 1 -4  69  14 o 142.290 3.2790  11006.52   505.343  10585.05   717.747  11420.83   711.619  139.246 4.7590  144.690 4.5409  -5.444763      6.577826  
1 1 1 -4  69  15 o 36.603  4.9397  745.552    190.831  769.124    293.217  728.230    251.346  36.608  7.6420  35.787  6.7316  0.8205833      10.18401  
1 1 1 -4  69  16 o 39.382  4.4847  858.265    187.885  890.648    272.832  829.055    259.117  39.668  6.5808  38.263  6.4839  1.405293       9.238392  
1 1 1 -4  69  17 o 74.208  3.3151  2998.95    266.452  3223.35    404.005  2826.20    354.475  76.532  4.8996  71.716  4.5876  4.816803       6.712044  
1 1 1 -4  69  18 o 22.537  7.3705  275.063    207.200  276.960    319.509  273.685    272.194  24.496  9.0722  23.560  8.4249  0.9365406      12.38078  
1 1 1 -4  69  19 o 46.733  4.9149  1214.50    245.049  1317.78    395.319  1150.05    312.283  47.777  7.9166  44.993  6.6048  2.784000       10.30995  
1 1 1 -4  69  20 o 25.737  1.9936  361.952    55.139   578.026    365.905  356.931    55.776   31.407  9.7423  25.552  2.0321  5.855282       9.952000  
1 1 1 -4  69  21 o 70.810  4.1674  2764.80    318.207  2717.73    532.527  2790.94    396.847  68.987  7.2346  70.792  5.2124  -1.804840      8.916730  
1 1 1 -4  69  22 o 29.087  6.7412  497.099    208.226  306.526    413.383  561.892    241.038  26.166  10.169  30.800  7.3312  -4.634165      12.53614  
1 1 1 -4  69  23 o 58.300  4.0389  1888.58    253.464  1990.91    523.611  1857.27    289.663  57.389  8.6964  57.561  4.6869  -0.1721916     9.878972  
1 1 1 -4  69  24 o 24.006  7.5335  345.816    218.082  39.689     462.057  433.556    247.369  22.434  9.8582  26.552  7.9667  -4.117561      12.67485  
1 1 1 -4  69  25 o 24.504  7.5659  367.109    220.972  295.602    463.974  388.087    251.304  25.473  10.470  25.150  8.1093  0.3228378      13.24330  
1 1 1 -4  69  26 o 4.8289  2.3354  -59.8358   37.266   233.121    464.722  -61.7318   37.386   24.268  10.263  4.7985  2.3251  19.46994       10.52261  
1 1 1 -4  69  27 o 19.332  8.1093  120.798    286.414  0.0000     0.0000   120.798    286.414  ?       ?       19.332  8.1093  0.000000       8.109333  
1 1 1 -4  69  28 o 16.668  7.4915  -41.1362   282.456  0.0000     0.0000   -41.1362   282.456  ?       ?       16.668  7.4915  0.000000       7.491535  
1 1 1 -4  70  1  o 315.218 5.5602  54029.43   1898.33  52414.68   2685.63  55641.81   2683.67  309.797 8.0038  319.272 7.7606  -9.474701      11.14850  
1 1 1 -4  70  2  o 165.179 3.4449  14799.34   616.308  15071.91   871.809  14527.04   871.373  166.565 4.8325  163.517 4.9201  3.047867       6.896349  
1 1 1 -4  70  3  o 32.483  4.3732  583.215    149.952  623.573    204.870  536.646    220.074  33.367  5.8839  30.786  6.7830  2.580336       8.979347  
1 1 1 -4  70  4  o 32.881  4.6184  598.725    159.939  420.726    222.038  790.685    230.581  27.306  7.3466  37.680  5.8388  -10.37469      9.384225  
1 1 1 -4  70  5  o 110.991 2.9369  6680.25    353.055  6675.25    501.407  6685.16    497.210  110.874 4.1753  110.959 4.1372  -0.8499908E-01 5.877924  
1 1 1 -4  70  6  o 142.661 3.2087  11040.63   495.806  10607.69   701.792  11472.06   700.561  139.706 4.6379  145.307 4.4513  -5.600983      6.428403  
1 1 1 -4  70  7  o 22.211  6.2343  276.397    156.112  310.191    246.975  253.910    201.463  24.368  8.0507  22.057  7.2704  2.310986       10.84766  
1 1 1 -4  70  8  o 113.598 3.0057  7001.13    369.820  6932.00    526.731  7068.33    519.356  112.929 4.3064  114.044 4.2046  -1.114845      6.018592  
1 1 1 -4  70  9  o 177.787 3.6475  17168.32   702.366  16926.04   997.454  17406.59   989.188  176.255 5.2250  178.763 5.1089  -2.508224      7.307631  
1 1 1 -4  70  10 o 177.924 3.6248  17200.44   698.536  17414.00   989.513  16988.28   986.253  178.736 5.1114  176.527 5.1583  2.208878       7.261858  
1 1 1 -4  70  11 o 146.787 3.2874  11703.62   522.655  11736.55   743.876  11671.51   734.504  146.768 4.6795  146.369 4.6331  0.3984680      6.585115  
1 1 1 -4  70  12 o 104.752 3.0083  5959.04    341.317  5839.75    483.517  6077.52    481.876  103.546 4.3113  105.646 4.2112  -2.100830      6.026774  
1 1 1 -4  70  13 o 134.709 3.1894  9861.12    465.353  9958.91    661.417  9765.25    654.849  135.143 4.5187  133.822 4.5180  1.320282       6.389882  
1 1 1 -4  70  14 o 125.294 3.0907  8532.33    419.427  8509.50    592.810  8555.21    593.511  124.899 4.3822  125.235 4.3755  -0.3364029     6.192631  
1 1 1 -4  70  15 f 54.695  3.3923  1634.25    199.969  1850.58    305.780  1472.60    264.324  57.953  4.9179  51.679  4.7763  6.274529       6.855572  
1 1 1 -4  70  16 o 27.177  1.2586  400.278    37.048   169.660    267.935  404.773    37.407   21.221  8.2037  27.329  1.2638  -6.107527      8.300472  
1 1 1 -4  70  17 o 67.024  3.3064  2447.10    240.027  2254.41    345.363  2627.12    333.828  63.896  5.0311  69.136  4.4823  -5.240036      6.738137  
1 1 1 -4  70  18 o 77.957  3.4234  3314.93    289.053  3359.00    424.939  3276.97    394.340  77.987  5.0580  77.116  4.7443  0.8717804      6.934822  
1 1 1 -4  70  19 o 88.513  3.3045  4275.25    316.799  4605.62    459.318  3975.49    437.519  91.417  4.6543  84.876  4.7787  6.540848       6.670757  
1 1 1 -4  70  20 o 84.716  3.5480  3925.78    325.549  4166.36    486.482  3730.67    438.102  86.629  5.2090  82.056  4.9526  4.573067       7.187647  
1 1 1 -4  70  21 o 37.098  6.6724  795.643    258.244  619.791    426.831  897.185    324.344  32.391  10.578  39.001  7.9479  -6.610313      13.23113  
1 1 1 -4  70  22 f 78.840  3.4047  3408.75    290.735  3050.41    576.720  3530.85    336.641  72.580  7.4415  80.090  3.8808  -7.510056      8.392655  
1 1 1 -4  70  23 o 57.960  2.3889  1834.21    149.966  1463.42    486.783  1873.09    157.633  48.245  9.6526  58.551  2.4857  -10.30542      9.967498  
1 1 1 -4  70  24 o 59.831  4.0243  2002.91    259.272  2162.96    539.030  1954.74    295.729  58.957  8.7029  58.772  4.6846  0.1844597      9.883655  
1 1 1 -4  70  25 o 22.046  7.6044  281.655    220.372  242.757    464.860  292.931    250.283  24.676  10.340  22.648  8.0808  2.027670       13.12303  
1 1 1 -4  70  26 f 22.109  7.8529  285.479    236.113  200.215    472.903  313.791    272.510  23.845  10.226  23.140  8.4093  0.7058983      13.23980  
1 1 1 -4  70  27 o 22.577  8.6057  289.510    292.045  0.0000     0.0000   289.510    292.045  ?       ?       22.577  8.6057  0.000000       8.605731  
1 1 1 -4  70  28 o 23.570  8.7181  342.090    294.869  0.0000     0.0000   342.090    294.869  ?       ?       23.570  8.7181  0.000000       8.718114  
1 1 1 -4  71  1  o 170.393 3.4930  15751.93   644.655  15120.55   912.477  16381.11   910.884  166.779 5.0514  173.618 4.8439  -6.839249      6.998586  
1 1 1 -4  71  2  o 194.954 3.8219  20628.35   807.015  20804.15   1143.20  20453.72   1139.39  195.569 5.3970  193.911 5.4250  1.658508       7.652337  
1 1 1 -4  71  3  o 53.152  3.0388  1537.16    174.216  1510.94    251.372  1561.39    241.671  52.552  4.4583  53.457  4.2080  -0.9050064     6.130570  
1 1 1 -4  71  4  o 137.541 3.1882  10261.80   474.956  9842.46    669.911  10685.63   673.481  134.582 4.5958  140.245 4.4337  -5.662766      6.385849  
1 1 1 -4  71  5  o 138.105 3.1828  10346.86   476.087  10181.52   674.987  10510.55   671.603  136.873 4.5531  139.077 4.4585  -2.204147      6.372498  
1 1 1 -4  71  6  o 132.658 3.1246  9547.41    448.949  9313.64    635.995  9779.59    633.830  130.899 4.4859  134.147 4.3624  -3.247879      6.257269  
1 1 1 -4  71  7  o 62.276  3.1865  2110.06    214.214  2087.36    322.228  2128.04    286.754  61.749  4.8572  62.427  4.2665  -0.6785774     6.464943  
1 1 1 -4  71  8  o 102.414 2.9305  5690.94    325.069  5857.19    464.137  5530.88    455.421  103.802 4.1283  100.866 4.1687  2.936584       5.866903  
1 1 1 -4  71  9  o 140.214 3.2208  10674.10   489.131  10724.20   698.294  10625.84   685.359  140.358 4.5934  139.723 4.5288  0.6350708      6.450466  
1 1 1 -4  71  10 o 117.906 3.0284  7547.23    386.733  7635.79    549.487  7460.30    544.395  118.449 4.2831  117.078 4.2931  1.370415       6.064250  
1 1 1 -4  71  11 o 113.562 3.0242  7003.14    371.981  6864.73    533.323  7134.27    519.087  112.266 4.3860  114.478 4.1865  -2.211861      6.063307  
1 1 1 -4  71  12 f 83.274  3.0960  3767.09    279.244  3602.31    410.698  3908.76    380.815  81.136  4.6935  84.720  4.1501  -3.584343      6.265158  
1 1 1 -4  71  13 o 24.417  6.4234  339.458    172.158  603.160    260.331  134.501    229.509  32.411  7.5553  19.502  7.5777  12.90891       10.70065  
1 1 1 -4  71  14 o 162.492 3.4999  14369.92   615.974  14341.05   883.388  14397.24   859.347  161.900 5.0377  162.265 4.8896  -0.3647614     7.020470  
1 1 1 -4  71  15 f 71.768  3.2591  2802.59    253.334  2750.06    374.650  2846.84    343.864  70.713  4.9224  72.056  4.4274  -1.343300      6.620562  
1 1 1 -4  71  16 o 135.276 3.2898  9963.54    482.015  10103.71   698.922  9836.40    665.639  135.830 4.7507  134.073 4.5838  1.757492       6.601594  
1 1 1 -4  71  17 o 90.542  3.1440  4464.49    308.317  4595.48    452.120  4350.63    421.537  91.579  4.5581  89.149  4.3657  2.430069       6.311557  
1 1 1 -4  71  18 o 49.068  4.4986  1331.61    236.419  974.769    353.840  1619.39    317.757  40.864  8.2783  53.888  5.5222  -13.02367      9.951114  
1 1 1 -4  71  19 o 107.774 3.3894  6343.47    395.645  6599.17    602.226  6149.31    524.787  109.354 5.0846  105.746 4.5819  3.607368       6.844505  
1 1 1 -4  71  20 o 47.509  5.0693  1261.25    256.824  1510.08    385.865  1063.35    344.118  51.317  7.1353  42.710  7.7233  8.607964       10.51481  
1 1 1 -4  71  21 o 40.659  6.5693  952.491    279.431  948.815    517.907  954.000    331.881  38.904  11.494  40.193  7.9052  -1.289478      13.95000  
1 1 1 -4  71  22 o 64.880  3.8404  2327.56    268.667  2775.58    519.641  2164.11    313.874  69.280  7.0221  62.236  4.6908  7.043545       8.444763  
1 1 1 -4  71  23 o 38.154  5.5186  840.463    221.427  1069.00    443.323  764.497    255.592  40.555  10.124  35.786  6.8436  4.768700       12.22012  
1 1 1 -4  71  24 o 16.300  6.8524  50.213     205.226  -318.3491  407.972  175.073    237.457  17.588  8.2847  19.787  7.7023  -2.198399      11.31203  
1 1 1 -4  71  25 o 20.507  7.6184  220.981    225.655  90.876     544.136  248.003    247.984  23.978  10.610  21.496  7.9863  2.482346       13.27991  
1 1 1 -4  71  26 o 21.530  7.7763  265.544    232.515  129.385    576.320  292.016    254.114  24.379  10.847  22.409  8.1240  1.969707       13.55192  
1 1 1 -4  71  27 f 12.487  6.1383  -503.7445  289.040  0.0000     0.0000   -503.7445  289.040  ?       ?       12.487  6.1383  0.000000       6.138300  
1 1 1 -4  72  1  o 90.905  2.8406  4481.17    279.682  4451.67    397.147  4510.19    393.932  90.543  4.0497  91.140  3.9907  -0.5967255     5.685572  
1 1 1 -4  72  2  o 94.457  2.8099  4838.15    287.472  4793.77    411.713  4880.37    401.570  93.956  4.0458  94.809  3.9106  -0.8533325     5.626791  
1 1 1 -4  72  3  o 76.295  2.8264  3156.70    233.565  3190.98    336.523  3124.84    324.431  76.544  4.0738  75.756  3.9678  0.7884293      5.686741  
1 1 1 -4  72  4  o 99.686  2.9061  5389.79    313.775  5124.12    446.742  5648.45    440.806  97.114  4.2472  101.981 3.9908  -4.867111      5.827951  
1 1 1 -4  72  5  o 40.568  3.8360  901.713    166.553  923.769    247.290  883.402    225.323  40.777  5.7595  39.931  5.3439  0.8462181      7.856793  
1 1 1 -4  72  6  o 33.503  4.4271  620.813    156.711  655.972    233.578  592.031    211.335  34.090  6.5643  32.396  6.2493  1.693527       9.063333  
1 1 1 -4  72  7  o 174.785 3.5835  16591.57   678.403  16975.33   963.407  16214.12   955.455  176.550 5.0382  172.532 5.1129  4.018295       7.178113  
1 1 1 -4  72  8  o 226.093 4.2594  27805.65   1043.06  28110.52   1477.01  27502.33   1473.23  226.833 6.0118  224.349 6.0628  2.483994       8.538142  
1 1 1 -4  72  9  o 129.654 3.1597  9127.78    443.708  9324.91    639.347  8944.61    616.283  130.867 4.5106  128.182 4.4390  2.685501       6.328533  
1 1 1 -4  72  10 o 95.391  2.9044  4939.93    300.082  4530.26    427.484  5337.91    421.341  91.215  4.3270  99.059  3.9271  -7.844765      5.843347  
1 1 1 -4  72  11 o 106.436 2.9883  6152.34    344.492  6327.46    495.545  5988.55    479.235  107.787 4.2447  104.864 4.2194  2.922874       5.985076  
1 1 1 -4  72  12 o 82.322  3.0362  3681.70    270.718  3526.97    392.859  3821.61    373.576  80.293  4.5360  83.761  4.1178  -3.468384      6.126289  
1 1 1 -4  72  13 o 42.542  1.9457  981.533    89.653   807.462    286.294  1000.46    94.401   37.625  7.2886  42.947  2.0294  -5.322456      7.565835  
1 1 1 -4  72  14 o 137.157 3.2624  10233.99   484.653  10203.25   695.562  10263.00   675.676  136.619 4.7006  137.058 4.5516  -0.4393768     6.543158  
1 1 1 -4  72  15 o 124.601 3.2004  8448.20    431.909  8546.62    629.121  8360.46    594.012  124.994 4.6470  123.681 4.4343  1.313347       6.423194  
1 1 1 -4  72  16 o 16.013  6.4196  70.827     169.426  160.946    248.574  -7.3652    231.542  20.507  7.9090  16.636  7.1455  3.871428       10.65883  
1 1 1 -4  72  17 o 78.207  3.4196  3335.57    289.663  3137.97    425.818  3505.76    395.186  75.326  5.2521  79.828  4.5900  -4.502167      6.975147  
1 1 1 -4  72  18 o 53.758  4.0987  1591.64    236.848  1329.00    342.748  1831.69    327.668  48.388  6.7214  57.376  5.3338  -8.988323      8.580591  
1 1 1 -4  72  19 o 34.973  6.6064  705.028    241.080  629.126    377.348  757.375    313.373  32.600  9.8528  35.810  8.2495  -3.210091      12.85031  
1 1 1 -4  72  20 o 22.860  7.8719  277.359    236.101  455.198    363.092  147.077    310.775  28.576  9.7648  21.550  8.6749  7.026104       13.06156  
1 1 1 -4  72  21 o 31.836  7.5627  602.128    256.911  681.714    421.263  554.999    324.173  33.436  10.467  30.426  9.1179  3.010418       13.88129  
1 1 1 -4  72  22 o 40.154  1.9442  877.545    84.555   473.536    441.819  892.905    86.148   28.970  10.680  40.502  1.9638  -11.53156      10.85918  
1 1 1 -4  72  23 o 25.965  7.2386  409.968    211.207  495.875    424.605  381.723    243.464  28.694  10.486  25.146  7.9687  3.548576       13.17051  
1 1 1 -4  72  24 o 14.113  6.3530  -70.4084   204.048  267.052    407.878  -183.0562  235.657  24.381  9.8947  13.753  6.4197  10.62801       11.79482  
1 1 1 -4  72  25 o 29.886  7.0218  551.910    223.441  524.203    445.424  561.226    258.291  28.633  10.690  29.750  7.8878  -1.116251      13.28541  
1 1 1 -4  72  26 o 42.279  2.7960  990.258    127.311  0.0000     0.0000   990.258    127.311  ?       ?       42.279  2.7960  0.000000       2.795970  
1 1 1 -4  72  27 o 23.482  8.6723  333.640    291.554  0.0000     0.0000   333.640    291.554  ?       ?       23.482  8.6723  0.000000       8.672300  
1 1 1 -4  73  1  o 157.988 3.3881  13545.90   579.758  13152.28   821.042  13937.34   818.765  155.499 4.8749  160.094 4.7219  -4.595230      6.786807  
1 1 1 -4  73  2  o 47.752  3.1756  1242.66    163.305  1229.29    228.750  1256.55    233.211  47.340  4.5161  47.862  4.5536  -0.5218735     6.413248  
1 1 1 -4  73  3  o 234.406 4.3446  29865.02   1103.03  30878.60   1563.54  28860.77   1556.32  237.939 6.0670  229.984 6.2479  7.954956       8.708844  
1 1 1 -4  73  4  o 199.119 3.8726  21536.93   835.188  21353.50   1183.07  21719.15   1179.21  197.961 5.5177  199.663 5.4528  -1.702011      7.757492  
1 1 1 -4  73  5  o 60.245  3.1124  1974.85    202.398  1880.17    282.759  2074.35    289.841  58.627  4.4870  61.611  4.3718  -2.984600      6.264654  
1 1 1 -4  73  6  o 109.907 2.9425  6554.59    350.277  6297.28    496.794  6808.97    493.952  107.612 4.2623  111.918 4.0749  -4.306503      5.896768  
1 1 1 -4  73  7  o 167.954 3.5100  15322.65   638.503  15369.21   905.792  15276.65   900.192  167.953 4.9793  167.449 4.9634  0.5032654      7.030602  
1 1 1 -4  73  8  o 15.434  6.0690  74.807     148.642  51.949     232.888  90.519     193.085  17.908  7.3956  17.407  6.8940  0.5011158      10.11050  
1 1 1 -4  73  9  o 197.657 3.8767  21248.26   829.925  21445.53   1178.00  21053.85   1169.43  198.147 5.4889  196.326 5.4995  1.821014       7.770007  
1 1 1 -4  73  10 f 112.731 3.0087  6901.41    367.367  7211.46    528.501  6611.53    511.010  115.078 4.2402  110.181 4.2820  4.896667       6.026185  
1 1 1 -4  73  11 o 49.670  3.4560  1347.77    184.769  1443.12    266.853  1259.96    256.086  51.195  4.8713  47.778  5.0239  3.416168       6.997784  
1 1 1 -4  73  12 o 59.069  3.2261  1902.31    205.619  1742.44    293.216  2057.00    288.420  56.277  4.8581  61.264  4.3754  -4.987076      6.538015  
1 1 1 -4  73  13 o 45.119  3.9637  1117.89    191.736  992.662    278.421  1230.84    264.432  42.030  6.3110  47.124  5.2712  -5.093472      8.222810  
1 1 1 -4  73  14 o 168.238 3.5596  15414.23   648.617  15701.14   924.086  15135.62   910.627  169.321 5.0388  166.237 5.0576  3.084137       7.139259  
1 1 1 -4  73  15 f 37.959  4.6916  800.336    188.784  685.219    275.630  902.058    259.097  34.446  7.5923  39.997  6.1800  -5.551163      9.789589  
1 1 1 -4  73  16 o 49.930  3.9809  1370.43    213.494  1274.77    321.522  1445.88    285.526  47.580  6.4014  51.026  5.2408  -3.445568      8.273091  
1 1 1 -4  73  17 o 46.589  1.9886  1178.40    100.344  698.946    340.429  1224.02    105.009  34.423  9.0215  47.479  2.0420  -13.05579      9.249673  
1 1 1 -4  73  18 o 86.963  3.4565  4130.35    325.569  3790.50    490.512  4397.97    435.269  82.601  5.5144  89.363  4.5117  -6.761841      7.124844  
1 1 1 -4  73  19 o 125.076 3.4668  8552.61    469.652  8652.26    694.398  8468.59    637.607  125.107 5.1245  123.950 4.7494  1.157013       6.986951  
1 1 1 -4  73  20 f 41.722  5.7376  987.021    252.416  1144.44    379.873  862.564    337.767  44.027  8.2698  38.048  8.4191  5.979351       11.80128  
1 1 1 -4  73  21 o 70.028  4.2796  2719.21    323.040  2399.24    538.162  2899.44    403.901  63.976  7.9370  71.917  5.2209  -7.941406      9.500224  
1 1 1 -4  73  22 o 40.834  5.1935  951.522    224.499  1129.10    446.364  891.392    259.741  42.022  9.9593  39.019  6.3655  3.002823       11.81978  
1 1 1 -4  73  23 o 62.928  2.7666  2172.61    188.564  2566.66    527.944  2115.00    201.879  65.379  7.5971  62.015  3.0055  3.364128       8.170045  
1 1 1 -4  73  24 o 86.848  3.3921  4175.28    319.082  4548.46    638.065  4050.84    368.463  87.660  6.7729  85.189  3.9934  2.471848       7.862508  
1 1 1 -4  73  25 f 37.410  5.8819  830.083    230.461  879.868    458.369  813.239    266.611  35.209  10.901  36.382  7.0201  -1.173790      12.96595  
1 1 1 -4  73  26 o 20.870  8.3987  199.177    291.213  0.0000     0.0000   199.177    291.213  ?       ?       20.870  8.3987  0.000000       8.398737  
1 1 1 -4  73  27 o 24.924  8.7708  397.494    293.875  0.0000     0.0000   397.494    293.875  ?       ?       24.924  8.7708  0.000000       8.770781  
1 1 1 -4  74  1  o 61.991  2.8497  2084.62    191.338  1925.29    272.057  2240.58    269.152  59.363  4.2597  64.105  3.8949  -4.741955      5.771944  
1 1 1 -4  74  2  o 252.975 4.6340  34813.19   1269.69  34410.95   1797.01  35214.18   1794.23  250.928 6.6120  253.870 6.5252  -2.941742      9.289612  
1 1 1 -4  74  3  o 70.918  2.8830  2728.51    221.447  2703.48    325.243  2750.15    302.355  70.387  4.2867  71.035  3.9454  -0.6477051     5.825940  
1 1 1 -4  74  4  o 23.398  5.6140  310.491    140.452  199.283    205.958  407.167    192.030  20.574  7.3315  26.766  6.6528  -6.191687      9.900019  
1 1 1 -4  74  5  o 66.111  3.0767  2372.23    220.305  2350.91    302.112  2396.45    321.948  65.608  4.2749  66.211  4.5163  -0.6029510     6.218661  
1 1 1 -4  74  6  f 67.649  2.9248  2483.63    214.306  2401.64    305.317  2563.25    300.880  66.307  4.2741  68.537  4.0715  -2.229729      5.902948  
1 1 1 -4  74  7  o 34.554  4.4336  660.450    162.100  766.844    244.295  576.756    216.671  36.930  6.3357  31.893  6.4931  5.036755       9.071980  
1 1 1 -4  74  8  o 154.968 3.3772  13047.53   566.847  12813.92   804.617  13277.71   798.703  153.314 4.8455  156.089 4.7244  -2.775345      6.767456  
1 1 1 -4  74  9  o 206.203 4.0090  23138.80   895.358  23321.00   1270.30  22958.93   1262.20  206.510 5.6793  204.898 5.6875  1.612198       8.037510  
1 1 1 -4  74  10 o 41.024  3.8428  923.687    168.757  1058.02    247.854  807.589    230.416  43.682  5.3506  37.994  5.7816  5.687775       7.877539  
1 1 1 -4  74  11 o 78.561  2.9447  3352.58    250.558  3375.34    358.576  3330.85    350.256  78.588  4.2282  78.079  4.1567  0.5091553      5.929252  
1 1 1 -4  74  12 o 102.281 2.9638  5684.95    328.336  5355.31    466.470  6008.63    462.232  99.075  4.3470  104.993 4.0647  -5.918182      5.951331  
1 1 1 -4  74  13 f 43.704  4.0861  1050.63    191.175  1175.64    278.707  939.549    262.724  45.933  5.7265  40.900  6.1188  5.033817       8.380432  
1 1 1 -4  74  14 o 125.282 3.1559  8539.51    428.235  9110.90    605.503  7967.69    605.729  129.142 4.3289  120.692 4.6337  8.449921       6.341185  
1 1 1 -4  74  15 o 91.202  2.9119  4524.58    287.646  4066.79    453.971  4831.66    371.807  85.985  4.8948  94.128  3.6469  -8.143150      6.104023  
1 1 1 -4  74  16 o 60.365  3.7241  1996.93    242.300  1912.72    380.338  2054.46    314.345  58.496  6.0924  60.998  4.7966  -2.501724      7.754056  
1 1 1 -4  74  17 o 34.983  5.7980  694.119    211.992  794.564    309.272  605.098    291.153  36.887  7.9734  32.111  8.3081  4.776161       11.51523  
1 1 1 -4  74  18 o 21.938  7.5551  251.668    217.482  137.427    345.453  326.675    279.916  22.290  9.0833  24.810  8.5697  -2.519857      12.48783  
1 1 1 -4  74  19 o 83.731  3.0464  3825.34    276.275  4130.51    507.757  3696.99    329.286  86.132  5.4712  82.168  3.7000  3.963745       6.604824  
1 1 1 -4  74  20 o 111.688 3.4179  6831.84    413.468  7045.91    609.584  6649.44    562.691  112.712 4.9934  109.623 4.7391  3.088760       6.884237  
1 1 1 -4  74  21 o 74.329  3.0389  3026.13    244.648  2972.70    557.103  3038.89    272.310  71.475  7.2988  74.386  3.3799  -2.911316      8.043372  
1 1 1 -4  74  22 o 33.629  6.2184  666.870    218.159  932.928    435.270  577.614    252.111  37.720  10.344  30.714  7.6160  7.006100       12.84531  
1 1 1 -4  74  23 o 13.458  6.1645  -113.0974  202.716  -229.6416  407.277  -74.7163   233.724  18.398  8.5378  15.142  6.8094  3.255809       10.92073  
1 1 1 -4  74  24 o 29.152  1.7146  464.488    53.901   625.467    438.972  462.024    54.312   30.683  10.724  29.072  1.7327  1.611639       10.86323  
1 1 1 -4  74  25 o 21.507  7.7165  264.108    228.529  -24.1211   437.222  372.451    268.061  20.709  9.3130  24.546  8.3902  -3.836220      12.53505  
1 1 1 -4  74  26 o 23.705  8.7625  337.731    297.781  0.0000     0.0000   337.731    297.781  ?       ?       23.705  8.7625  0.000000       8.762486  
1 1 1 -4  75  1  o 81.993  2.8520  3647.60    253.280  3653.59    351.509  3641.13    365.271  81.990  3.9583  81.733  4.1397  0.2571793      5.727545  
1 1 1 -4  75  2  o 117.777 2.9748  7527.51    379.473  7151.23    535.684  7906.53    537.633  114.666 4.3132  120.593 4.1162  -5.926552      5.962132  
1 1 1 -4  75  3  o 113.972 2.9727  7049.30    366.964  6898.73    519.730  7198.98    518.203  112.624 4.2607  115.060 4.1582  -2.436485      5.953483  
1 1 1 -4  75  4  o 105.522 2.9066  6042.61    332.199  6167.37    473.209  5921.39    466.464  106.496 4.1025  104.348 4.1273  2.148018       5.819355  
1 1 1 -4  75  5  o 91.892  2.9333  4582.98    291.943  4370.42    416.164  4788.94    409.652  89.624  4.2872  93.843  4.0304  -4.218758      5.884197  
1 1 1 -4  75  6  o 121.551 3.0312  8020.93    399.066  7841.48    566.170  8198.10    562.576  120.026 4.3551  122.743 4.2317  -2.716286      6.072433  
1 1 1 -4  75  7  o 160.938 3.4397  14073.96   599.581  13838.76   847.030  14310.16   848.843  159.311 4.9089  162.018 4.8372  -2.706604      6.891708  
1 1 1 -4  75  8  o 55.758  3.2638  1694.76    196.244  1504.34    285.980  1864.23    269.790  52.256  5.1185  58.354  4.2988  -6.098656      6.684252  
1 1 1 -4  75  9  o 47.084  3.5509  1212.14    179.753  1105.97    263.645  1304.37    245.718  44.634  5.5751  48.681  4.7195  -4.046963      7.304474  
1 1 1 -4  75  10 o 122.256 3.0781  8120.75    407.592  8193.38    584.102  8051.82    569.038  122.593 4.3990  121.543 4.3226  1.049721       6.167313  
1 1 1 -4  75  11 o 95.437  2.9345  4948.75    303.337  4794.99    432.269  5097.91    425.770  93.774  4.2560  96.720  4.0643  -2.945816      5.884909  
1 1 1 -4  75  12 o 33.269  4.9207  618.043    171.963  499.163    258.249  712.744    230.495  29.476  7.9199  35.501  6.2212  -6.024738      10.07113  
1 1 1 -4  75  13 o 173.278 3.6062  16354.81   676.815  16733.74   960.789  15981.55   953.575  174.780 5.0754  170.776 5.1554  4.004272       7.234427  
1 1 1 -4  75  14 o 114.352 3.1517  7116.46    390.357  7480.77    564.895  6783.50    540.041  116.955 4.4594  111.367 4.4771  5.588272       6.319102  
1 1 1 -4  75  15 o 36.577  5.0118  747.602    193.328  734.638    292.592  757.646    257.560  35.587  7.8058  36.398  6.7829  -0.8105698     10.34107  
1 1 1 -4  75  16 o 97.298  3.2139  5159.57    338.694  5041.58    506.462  5255.02    455.544  95.656  4.9049  97.949  4.2940  -2.293602      6.518898  
1 1 1 -4  75  17 o 77.045  3.4814  3241.68    290.512  3167.37    429.298  3304.45    394.585  75.575  5.2777  77.377  4.7310  -1.801445      7.087776  
1 1 1 -4  75  18 o 21.551  7.5494  237.803    217.598  423.319    328.879  93.362     290.197  27.634  9.2941  20.117  8.2759  7.516300       12.44473  
1 1 1 -4  75  19 o 65.028  4.0975  2332.13    287.118  2041.41    449.738  2532.14    373.027  59.746  7.0882  67.425  5.1468  -7.679714      8.759749  
1 1 1 -4  75  20 o 30.540  7.6055  555.642    250.620  195.266    387.120  815.664    328.831  23.824  9.6498  36.803  8.4304  -12.97857      12.81369  
1 1 1 -4  75  21 o 19.990  7.8843  157.675    251.570  160.965    410.487  155.696    318.366  23.409  9.7551  21.450  8.7281  1.958565       13.08975  
1 1 1 -4  75  22 o 33.025  6.3604  647.281    219.258  817.448    437.591  590.239    253.356  35.130  10.608  31.006  7.6026  4.124178       13.05138  
1 1 1 -4  75  23 o 78.672  3.4875  3425.49    297.165  3240.82    592.307  3487.61    343.529  73.392  7.5594  79.005  4.0279  -5.613770      8.565563  
1 1 1 -4  75  24 o 30.347  6.8950  565.210    221.480  565.465    444.959  565.126    255.363  29.456  10.739  29.939  7.7976  -0.4825764     13.27160  
1 1 1 -4  75  25 o 12.413  3.3585  88.478     46.249   371.811    440.252  85.316     46.507   25.804  10.347  12.206  3.3945  13.59784       10.88962  
1 1 1 -4  75  26 o 28.561  8.9356  544.786    307.075  0.0000     0.0000   544.786    307.075  ?       ?       28.561  8.9356  0.000000       8.935630  
1 1 1 -4  76  1  o 185.850 3.7053  18769.22   745.850  18192.69   1057.43  19340.04   1052.17  182.637 5.3456  188.354 5.1575  -5.717072      7.428001  
1 1 1 -4  76  2  o 172.775 3.6916  16221.51   690.826  16099.08   1031.08  16321.23   930.581  171.755 5.5426  173.067 4.9644  -1.312241      7.440842  
1 1 1 -4  76  3  o 46.062  3.3479  1158.38    165.886  990.500    236.360  1321.34    232.874  42.296  5.2741  49.075  4.4289  -6.779476      6.887012  
1 1 1 -4  76  4  o 134.422 3.1463  9811.04    458.079  9375.15    649.355  10242.82   646.299  131.212 4.5692  137.185 4.3497  -5.972839      6.308499  
1 1 1 -4  76  5  o 137.814 3.1860  10314.24   475.565  9977.40    677.375  10641.65   667.827  135.337 4.6211  139.806 4.4103  -4.468872      6.387877  
1 1 1 -4  76  6  o 94.314  2.8888  4828.76    295.092  5334.48    425.218  4358.93    409.852  99.025  3.9646  89.486  4.2286  9.539162       5.796473  
1 1 1 -4  76  7  f 68.026  3.0544  2513.04    225.048  2279.59    315.671  2754.34    320.925  64.523  4.5461  71.008  4.1914  -6.484657      6.183416  
1 1 1 -4  76  8  f 111.510 2.9930  6753.07    361.485  6758.22    516.452  6748.12    506.138  111.388 4.2807  111.317 4.1979  0.7096100E-01  5.995618  
1 1 1 -4  76  9  o 115.237 3.0305  7214.03    378.242  7355.29    545.085  7082.84    525.294  116.171 4.3321  114.012 4.2539  2.158867       6.071430  
1 1 1 -4  76  10 o 84.942  2.9753  3920.26    273.734  3997.40    399.709  3852.12    375.648  85.510  4.3298  84.074  4.1252  1.436317       5.980395  
1 1 1 -4  76  11 o 47.603  3.6923  1241.20    188.881  1225.50    283.153  1253.79    253.532  46.938  5.6856  47.627  4.9889  -0.6888809     7.564039  
1 1 1 -4  76  12 o 65.568  3.1236  2337.99    221.831  2342.67    318.058  2333.55    309.548  65.332  4.5226  65.226  4.4075  0.1063995      6.315102  
1 1 1 -4  76  13 o 105.345 3.1127  6037.33    355.154  6016.77    525.831  6054.58    481.605  104.877 4.6291  105.294 4.2230  -0.4173737     6.265947  
1 1 1 -4  76  14 o 113.015 3.1346  6952.56    383.690  6877.29    555.256  7021.34    530.810  112.077 4.5741  113.310 4.3251  -1.232872      6.295185  
1 1 1 -4  76  15 o 71.599  3.4142  2795.26    264.766  2460.67    405.254  3044.44    349.725  66.551  5.6764  74.440  4.3566  -7.888947      7.155495  
1 1 1 -4  76  16 o 16.693  6.8499  58.317     198.177  1.7440     293.626  105.649    268.575  18.764  8.0529  19.829  8.0355  -1.064966      11.37618  
1 1 1 -4  76  17 o 86.386  3.4383  4076.03    321.702  4720.88    488.975  3583.89    427.172  92.441  4.9012  80.502  4.9228  11.93873       6.946695  
1 1 1 -4  76  18 o 56.202  4.2531  1744.40    256.979  1635.84    383.314  1833.02    346.340  53.632  6.7481  57.202  5.6646  -3.569309      8.810482  
1 1 1 -4  76  19 o 104.138 3.4203  5936.99    385.780  6147.35    574.434  5764.17    520.669  105.305 5.0364  102.119 4.7074  3.185677       6.893845  
1 1 1 -4  76  20 o 73.328  2.9510  2941.69    234.371  2763.88    484.141  2996.12    267.848  69.472  6.5101  73.896  3.3466  -4.424057      7.319899  
1 1 1 -4  76  21 o 19.490  7.8659  131.719    256.219  -161.5696  424.215  300.155    321.481  19.672  8.9754  24.118  9.0668  -4.445812      12.75795  
1 1 1 -4  76  22 o 18.101  7.1559  127.869    207.691  16.804     417.118  164.482    239.490  21.314  9.3663  19.676  7.7141  1.638126       12.13399  
1 1 1 -4  76  23 o 18.627  7.5124  126.843    233.530  107.143    512.964  131.993    262.287  23.905  10.448  19.411  7.9128  4.493990       13.10663  
1 1 1 -4  76  24 o 22.383  7.5383  297.973    216.360  254.476    433.643  312.390    249.655  24.244  10.058  23.031  8.0854  1.213774       12.90521  
1 1 1 -4  76  25 o 57.407  4.8862  1896.54    300.924  0.0000     0.0000   1896.54    300.924  ?       ?       57.407  4.8862  0.000000       4.886244  
1 1 1 -4  76  26 o 30.484  8.8657  623.058    310.295  0.0000     0.0000   623.058    310.295  ?       ?       30.484  8.8657  0.000000       8.865655  
1 1 1 -4  77  1  o 44.345  3.2548  1073.66    155.236  1240.56    222.083  914.195    217.075  47.544  4.3613  40.644  5.0392  6.899826       6.664429  
1 1 1 -4  77  2  o 161.871 3.3456  14232.93   586.569  13705.88   828.243  14763.27   830.830  158.588 4.8219  164.626 4.6596  -6.037842      6.705384  
1 1 1 -4  77  3  o 176.405 3.5385  16910.74   676.085  16859.60   959.145  16961.24   953.141  175.828 5.0365  176.368 4.9896  -0.5405731     7.089578  
1 1 1 -4  77  4  o 79.307  2.8412  3413.91    244.051  3212.73    346.147  3612.77    344.142  76.720  4.1814  81.502  3.8985  -4.781578      5.716877  
1 1 1 -4  77  5  o 130.151 3.1067  9199.30    437.943  9425.63    625.440  8981.59    613.424  131.559 4.3893  128.419 4.4102  3.139694       6.222236  
1 1 1 -4  77  6  o 116.396 3.0106  7357.03    379.539  7461.92    538.385  7253.41    535.128  117.065 4.2462  115.412 4.2809  1.652306       6.029593  
1 1 1 -4  77  7  o 72.819  2.9895  2879.82    235.781  2746.34    331.425  3016.60    335.500  70.870  4.3386  74.311  4.1854  -3.441284      6.028374  
1 1 1 -4  77  8  o 104.062 2.9394  5881.54    331.297  6085.10    472.617  5684.88    464.538  105.697 4.1283  102.152 4.1986  3.545105       5.888249  
1 1 1 -4  77  9  o 64.648  3.1225  2271.42    218.636  2301.91    325.951  2246.48    294.788  64.773  4.6776  64.053  4.2737  0.7198257      6.335918  
1 1 1 -4  77  10 o 50.035  3.6566  1370.06    196.790  1495.23    310.771  1286.27    254.262  51.934  5.6142  48.261  4.9336  3.672279       7.473928  
1 1 1 -4  77  11 o 115.259 3.1095  7223.48    388.184  6649.89    563.237  7742.44    535.746  110.300 4.7146  119.140 4.1517  -8.839859      6.282058  
1 1 1 -4  77  12 f 49.715  3.6926  1354.00    197.413  1418.92    294.630  1301.11    265.939  50.564  5.4669  48.464  5.1450  2.099529       7.507164  
1 1 1 -4  77  13 f 55.100  3.5906  1661.70    213.112  1699.76    325.217  1633.06    282.127  55.346  5.4980  54.387  4.8399  0.9582024      7.324808  
1 1 1 -4  77  14 o 59.420  3.7014  1933.92    237.029  1640.84    367.349  2142.99    310.256  54.082  6.3951  62.369  4.6258  -8.287769      7.892719  
1 1 1 -4  77  15 o 50.159  3.8931  1383.19    209.842  1139.42    305.585  1600.71    288.660  44.871  6.4751  53.731  5.0182  -8.859386      8.192049  
1 1 1 -4  77  16 o 48.241  4.6355  1290.07    239.225  1168.80    363.755  1382.49    317.560  44.980  7.7461  49.572  6.0393  -4.592464      9.822199  
1 1 1 -4  77  17 o 68.189  2.7487  2532.22    203.006  2484.19    463.876  2543.60    225.775  66.392  6.5355  68.297  3.0521  -1.905052      7.213075  
1 1 1 -4  77  18 o 36.507  6.2721  764.603    239.067  791.440    372.981  745.890    311.458  36.227  9.4183  35.448  8.2644  0.7783890      12.53015  
1 1 1 -4  77  19 o 73.769  3.7930  2997.69    302.037  3420.05    460.245  2678.20    400.292  78.113  5.4745  69.120  5.3895  8.993896       7.682290  
1 1 1 -4  77  20 o 34.476  6.7727  701.896    243.879  654.220    380.843  735.036    317.521  32.378  9.9220  34.609  8.5262  -2.231720      13.08214  
1 1 1 -4  77  21 o 59.460  4.5098  1986.02    288.277  1720.33    436.613  2191.35    383.837  53.491  7.7627  61.768  5.8055  -8.276207      9.693514  
1 1 1 -4  77  22 o 36.731  6.1542  794.887    236.176  1129.75    454.074  670.700    276.524  41.415  10.192  32.902  7.8661  8.512547       12.87443  
1 1 1 -4  77  23 o 43.296  1.8413  1021.81    86.347   703.328    456.626  1033.62    87.933   32.234  10.951  43.542  1.8646  -11.30812      11.10844  
1 1 1 -4  77  24 o 27.195  7.3675  463.384    222.393  471.900    445.632  460.560    256.635  27.636  10.608  26.910  8.1237  0.7263737      13.36091  
1 1 1 -4  77  25 o 18.975  8.2954  39.000     323.461  0.0000     0.0000   39.000     323.461  ?       ?       18.975  8.2954  0.000000       8.295373  
1 1 1 -4  78  1  o 148.027 3.2713  11902.64   524.481  11646.75   739.085  12162.23   744.401  146.197 4.6675  149.410 4.6000  -3.213516      6.553299  
1 1 1 -4  78  2  o 178.299 3.6360  17281.70   702.178  16446.84   994.742  18110.84   991.328  173.573 5.2913  182.214 5.0230  -8.640915      7.295766  
1 1 1 -4  78  3  o 84.267  2.8311  3854.47    258.389  3684.00    371.010  4015.03    360.071  82.164  4.1828  85.917  3.8694  -3.752892      5.698070  
1 1 1 -4  78  4  o 128.635 3.0782  8986.29    428.871  8980.97    605.264  8991.65    607.775  128.416 4.3517  128.490 4.3672  -0.7382202E-01 6.165168  
1 1 1 -4  78  5  o 143.059 3.2461  11119.39   502.981  11164.03   716.852  11076.10   705.919  143.108 4.6248  142.553 4.5720  0.5540619      6.503256  
1 1 1 -4  78  6  o 172.058 3.5566  16097.67   662.798  16013.94   938.742  16180.89   935.940  171.253 5.0610  172.155 5.0195  -0.9018860     7.128029  
1 1 1 -4  78  7  o 112.098 3.0258  6826.40    367.374  6978.70    518.502  6672.88    520.594  113.174 4.2299  110.648 4.3440  2.525887       6.063195  
1 1 1 -4  78  8  o 108.143 2.9644  6353.82    347.222  5868.77    492.050  6834.93    490.047  103.737 4.3793  112.009 4.0394  -8.272095      5.957752  
1 1 1 -4  78  9  o 15.998  6.1426  95.070     149.469  -93.7097   239.518  215.475    191.286  15.593  6.9610  20.629  7.0866  -5.036713      9.933559  
1 1 1 -4  78  10 o 81.948  2.9876  3650.09    265.176  3824.02    389.547  3499.89    361.997  83.603  4.3167  79.996  4.1926  3.607506       6.017588  
1 1 1 -4  78  11 o 68.005  3.1357  2515.33    230.960  2516.11    342.757  2514.69    312.579  67.674  4.7055  67.738  4.2825  -0.6369019E-01 6.362488  
1 1 1 -4  78  12 o 94.793  2.8389  4885.17    291.467  4853.76    446.472  4908.49    384.770  94.237  4.3743  94.883  3.7441  -0.6461411     5.757789  
1 1 1 -4  78  13 o 74.601  3.1715  3029.96    256.255  3396.47    385.318  2739.30    343.136  78.638  4.5433  70.602  4.5108  8.035675       6.402281  
1 1 1 -4  78  14 o 61.036  3.5135  2038.69    231.292  2008.51    347.117  2062.78    310.182  60.163  5.3838  61.144  4.7202  -0.9810066     7.160032  
1 1 1 -4  78  15 o 63.633  3.5469  2217.40    243.488  2539.38    367.724  1966.00    324.924  67.742  5.0480  59.549  5.0865  8.192833       7.166249  
1 1 1 -4  78  16 o 103.868 3.3733  5889.77    379.497  5384.50    568.085  6296.98    509.985  98.584  5.3402  107.099 4.3965  -8.515190      6.917152  
1 1 1 -4  78  17 f 62.904  3.8527  2175.35    261.228  2143.68    397.841  2199.36    346.352  61.786  6.0215  62.894  5.1291  -1.107708      7.909840  
1 1 1 -4  78  18 o 56.630  4.5626  1780.31    277.479  1606.69    453.140  1884.46    350.977  52.349  8.2663  57.897  5.6697  -5.548027      10.02384  
1 1 1 -4  78  19 o 66.033  4.2441  2418.97    301.935  2678.73    500.145  2270.02    378.736  68.242  6.8596  63.417  5.5704  4.825260       8.836484  
1 1 1 -4  78  20 o 76.053  3.9962  3212.07    328.025  3518.11    541.787  3034.96    412.152  78.080  6.4646  73.278  5.2272  4.801750       8.313530  
1 1 1 -4  78  21 o 29.740  3.1723  491.925    100.609  1709.62    403.741  411.304    103.886  53.702  7.1166  27.047  3.6385  26.65491       7.992816  
1 1 1 -4  78  22 o 21.768  7.4829  270.019    213.295  314.426    431.771  255.683    245.318  25.526  10.243  21.811  7.9707  3.715452       12.97879  
1 1 1 -4  78  23 o 30.506  6.9257  570.586    223.606  -142.4689  448.304  806.732    257.989  19.965  9.1531  36.506  6.7742  -16.54155      11.38722  
1 1 1 -4  78  24 o 60.139  2.6388  1989.02    171.880  1612.82    607.053  2021.80    179.213  46.832  11.933  60.600  2.7304  -13.76712      12.24178  
1 1 1 -4  78  25 o 45.687  7.0180  1280.49    336.166  0.0000     0.0000   1280.49    336.166  ?       ?       45.687  7.0180  0.000000       7.017956  
1 1 1 -4  79  1  o 69.090  2.7962  2591.15    209.246  2489.78    297.905  2689.86    293.971  67.512  4.0934  70.212  3.8807  -2.699181      5.640546  
1 1 1 -4  79  2  o 99.905  2.8304  5418.38    306.271  5368.67    433.291  5468.02    432.973  99.322  4.0278  100.241 3.9879  -0.9196777     5.668016  
1 1 1 -4  79  3  o 127.927 3.0462  8888.19    422.082  8517.73    597.208  9257.91    596.621  125.036 4.4098  130.387 4.2247  -5.351738      6.106906  
1 1 1 -4  79  4  o 109.817 2.8952  6548.52    344.364  6317.96    488.312  6776.62    485.707  107.710 4.1857  111.576 4.0191  -3.865433      5.802912  
1 1 1 -4  79  5  o 50.414  3.3900  1387.81    184.034  1438.08    273.707  1346.34    248.623  51.080  5.0118  49.463  4.6972  1.617794       6.868856  
1 1 1 -4  79  6  o 107.148 2.9445  6236.15    341.721  6377.55    485.241  6097.02    481.315  108.198 4.1407  105.782 4.2009  2.415611       5.898549  
1 1 1 -4  79  7  o 75.717  2.9340  3114.55    240.613  3253.98    344.978  2982.46    335.766  77.164  4.1429  73.853  4.2151  3.311058       5.910169  
1 1 1 -4  79  8  o 65.974  3.0777  2365.70    219.925  2401.81    320.562  2333.59    302.285  66.190  4.4981  65.274  4.2998  0.9165192      6.222650  
1 1 1 -4  79  9  o 178.216 3.6615  17293.46   706.766  16868.42   1005.14  17709.12   993.993  175.499 5.2879  179.889 5.1016  -4.389801      7.347667  
1 1 1 -4  79  10 o 134.706 3.2089  9870.53    468.180  10053.68   670.635  9696.42    653.896  135.643 4.5648  133.219 4.5318  2.423340       6.432291  
1 1 1 -4  79  11 o 65.874  3.1830  2361.17    227.103  2368.94    337.881  2354.76    306.721  65.617  4.7872  65.510  4.3475  0.1073532      6.466700  
1 1 1 -4  79  12 o 36.330  2.1296  718.867    83.433   852.769    300.835  707.709    86.839   38.524  7.4795  36.035  2.2360  2.489140       7.806571  
1 1 1 -4  79  13 o 97.517  3.0840  5177.54    325.740  5332.83    479.385  5044.33    443.980  98.675  4.4855  96.020  4.2691  2.655434       6.192271  
1 1 1 -4  79  14 o 26.562  6.2100  406.243    175.456  352.533    264.332  448.547    234.587  25.369  8.3262  27.832  7.5780  -2.462498      11.25841  
1 1 1 -4  79  15 f 124.466 3.3024  8451.96    445.203  8598.60    643.005  8316.93    617.021  125.050 4.7474  123.031 4.6304  2.019943       6.631632  
1 1 1 -4  79  16 o 71.587  3.8643  2813.31    298.511  2730.92    483.148  2864.18    379.641  69.685  6.4754  71.940  4.9015  -2.255051      8.121320  
1 1 1 -4  79  17 o 31.022  6.8290  560.952    223.242  944.128    365.532  333.007    281.930  39.824  8.7164  24.911  8.6007  14.91274       12.24529  
1 1 1 -4  79  18 o 48.751  4.8032  1328.46    250.326  1479.81    376.242  1208.25    335.311  50.621  7.0539  45.684  6.9997  4.937565       9.937466  
1 1 1 -4  79  19 f 38.360  6.5711  859.797    263.197  927.437    454.460  825.660    322.851  38.075  10.619  36.856  8.2888  1.219437       13.47120  
1 1 1 -4  79  20 o 55.533  2.5777  1686.88    155.044  1840.82    442.205  1665.30    165.554  55.592  7.5386  55.063  2.7850  0.5286331      8.036584  
1 1 1 -4  79  21 o 62.329  4.3886  2180.08    294.376  2306.91    468.593  2097.39    378.356  62.468  7.0490  60.314  5.8660  2.154022       9.170548  
1 1 1 -4  79  22 o 53.289  4.3261  1599.93    247.541  1779.44    499.927  1541.63    284.921  53.068  9.0206  51.897  5.1363  1.170605       10.38039  
1 1 1 -4  79  23 o 22.621  7.5548  305.179    217.290  27.829     439.035  395.157    250.065  21.497  9.5204  25.229  8.0846  -3.732479      12.48989  
1 1 1 -4  79  24 o 13.553  6.2884  -145.4611  220.858  -193.8763  527.808  -135.1844  243.171  20.809  9.6776  14.457  6.6693  6.351706       11.75314  
1 1 1 -4  79  25 o 23.415  8.8035  315.691    303.096  0.0000     0.0000   315.691    303.096  ?       ?       23.415  8.8035  0.000000       8.803538  
1 1 1 -4  80  1  o 72.215  2.8435  2831.55    222.409  2546.28    320.633  3096.10    308.771  68.224  4.3620  75.342  3.7960  -7.118134      5.782423  
1 1 1 -4  80  2  o 78.252  2.7666  3324.39    234.485  3409.14    330.133  3238.11    333.112  79.150  3.8509  77.022  4.0069  2.128815       5.557425  
1 1 1 -4  80  3  o 119.953 2.9979  7815.52    389.491  7531.11    552.943  8095.61    548.728  117.557 4.3427  121.916 4.1555  -4.358307      6.010624  
1 1 1 -4  80  4  o 141.417 3.2043  10868.62   490.805  10610.94   695.634  11124.03   692.582  139.470 4.6050  142.831 4.4769  -3.360565      6.422523  
1 1 1 -4  80  5  o 58.415  3.1798  1860.05    200.428  1811.96    295.583  1900.97    272.696  57.413  4.7973  58.899  4.3045  -1.485767      6.445380  
1 1 1 -4  80  6  o 140.408 3.2353  10717.74   492.013  10271.14   693.475  11170.41   698.173  137.166 4.6678  143.083 4.5051  -5.917892      6.487252  
1 1 1 -4  80  7  o 123.589 3.0712  8301.70    411.113  8094.56    584.517  8504.48    578.337  121.800 4.4308  124.879 4.2759  -3.078056      6.157481  
1 1 1 -4  80  8  o 101.597 2.9693  5609.73    326.743  5783.30    469.999  5447.37    454.556  102.972 4.2141  99.939  4.1993  3.032906       5.949218  
1 1 1 -4  80  9  o 11.991  5.3922  -70.3639   146.559  -66.3513   238.291  -72.8053   185.872  15.948  7.0407  13.754  6.1367  2.193843       9.339767  
1 1 1 -4  80  10 o 135.100 3.2102  9931.40    469.740  10023.87   672.855  9843.48    656.087  135.394 4.5883  134.191 4.5141  1.203125       6.436561  
1 1 1 -4  80  11 o 138.772 3.2536  10483.96   489.031  10383.82   699.398  10579.76   684.045  137.719 4.6888  139.059 4.5417  -1.339767      6.527740  
1 1 1 -4  80  12 o 51.780  3.6535  1469.68    203.587  1550.70    303.681  1403.55    274.376  52.834  5.3819  50.304  5.1066  2.530186       7.419096  
1 1 1 -4  80  13 o 155.357 3.5641  13168.66   599.727  13636.08   822.548  12638.17   876.284  157.607 4.8186  151.497 5.3404  6.109756       7.192919  
1 1 1 -4  80  14 o 103.685 2.9740  5855.48    333.983  5826.76    497.447  5879.06    450.657  103.064 4.4562  103.650 4.0143  -0.5860519     5.997700  
1 1 1 -4  80  15 o 42.360  5.2933  1005.17    237.556  1196.43    377.273  879.520    305.788  45.425  7.9581  38.940  7.5225  6.485050       10.95082  
1 1 1 -4  80  16 o 32.894  6.4027  623.478    219.903  501.846    348.909  703.634    283.240  29.579  9.5571  34.622  7.7468  -5.043242      12.30247  
1 1 1 -4  80  17 o 44.137  5.1094  1093.06    239.738  1152.76    386.368  1055.69    305.705  44.145  8.3873  42.800  6.8238  1.345470       10.81251  
1 1 1 -4  80  18 o 63.585  4.0014  2237.03    274.170  2242.17    413.427  2232.99    366.305  62.764  6.1610  62.975  5.4232  -0.2118034     8.207914  
1 1 1 -4  80  19 o 25.180  7.8008  376.531    234.683  249.041    364.283  466.986    306.843  23.939  9.4731  27.823  8.9597  -3.883442      13.03896  
1 1 1 -4  80  20 o 52.814  4.8753  1577.50    275.736  1708.37    440.575  1493.23    353.534  53.275  7.8724  50.491  6.6245  2.783951       10.28875  
1 1 1 -4  80  21 o 27.611  7.8685  470.729    246.729  715.679    390.931  308.563    318.083  33.085  10.035  24.037  9.0222  9.047647       13.49455  
1 1 1 -4  80  22 o 19.296  3.2524  211.023    65.558   913.612    543.780  200.660    66.040   35.791  11.951  18.777  3.3710  17.01347       12.41765  
1 1 1 -4  80  23 o 24.988  7.5251  387.934    220.407  602.785    448.312  319.451    253.108  30.020  10.804  23.233  8.1420  6.786470       13.52838  
1 1 1 -4  80  24 o 26.839  8.1859  461.184    259.602  0.0000     0.0000   461.184    259.602  ?       ?       26.839  8.1859  0.000000       8.185855  
1 1 1 -4  81  1  o 50.187  3.2158  1374.52    173.884  1311.10    236.820  1448.71    256.131  48.824  4.5299  51.321  4.6586  -2.496983      6.497925  
1 1 1 -4  81  2  o 76.159  2.7373  3149.42    225.798  3188.50    322.875  3112.02    315.892  76.427  3.9136  75.508  3.8756  0.9185104      5.507882  
1 1 1 -4  81  3  o 221.824 4.2021  26816.08   1009.58  27089.30   1430.66  26545.06   1424.89  222.253 5.9432  219.992 5.9800  2.261017       8.431018  
1 1 1 -4  81  4  o 129.692 3.1119  9141.08    437.122  9294.14    620.271  8990.06    616.116  130.546 4.3868  128.384 4.4308  2.162384       6.235068  
1 1 1 -4  81  5  o 112.435 2.9915  6868.98    364.300  6917.73    521.636  6822.56    508.993  112.637 4.2758  111.873 4.2006  0.7642136      5.993972  
1 1 1 -4  81  6  o 90.042  2.9070  4405.00    283.504  4288.71    402.948  4518.99    398.951  88.690  4.1948  91.061  4.0450  -2.371429      5.827339  
1 1 1 -4  81  7  o 81.173  2.9914  3581.24    262.998  3469.47    383.008  3680.96    361.770  79.599  4.4605  82.170  4.0649  -2.571114      6.034816  
1 1 1 -4  81  8  o 88.418  2.9725  4249.63    284.661  3825.00    411.042  4640.97    394.604  83.553  4.5593  92.268  3.9486  -8.715340      6.031473  
1 1 1 -4  81  9  o 42.957  3.8981  1014.33    179.392  1184.45    273.066  885.155    237.943  46.119  5.5801  39.752  5.6886  6.366940       7.968507  
1 1 1 -4  81  10 o 17.379  6.3599  135.740    156.260  227.480    248.126  75.443     201.161  22.064  8.0233  17.236  6.9649  4.827948       10.62463  
1 1 1 -4  81  11 f 58.703  3.3662  1883.49    213.135  2022.66    320.862  1773.59    285.129  60.530  4.9372  56.711  4.6839  3.818478       6.805510  
1 1 1 -4  81  12 o 114.270 3.0955  7110.05    383.116  6749.97    550.393  7448.51    533.614  110.980 4.5788  116.685 4.2222  -5.704559      6.228409  
1 1 1 -4  81  13 o 92.530  3.1111  4664.73    311.796  4641.86    460.353  4684.10    423.804  91.853  4.6424  92.486  4.2307  -0.6337204     6.280983  
1 1 1 -4  81  14 o 24.974  6.6746  359.973    184.001  315.281    298.995  387.216    233.439  24.891  8.8374  25.996  7.7254  -1.105270      11.73804  
1 1 1 -4  81  15 o 45.316  5.2430  1148.36    252.587  1487.55    427.743  966.762    312.983  50.695  8.0600  40.909  7.3331  9.785931       10.89667  
1 1 1 -4  81  16 o 50.880  4.4584  1435.57    243.218  1371.81    379.004  1480.21    317.131  48.748  7.4117  51.261  5.8148  -2.513092      9.420440  
1 1 1 -4  81  17 o 117.002 3.3525  7496.95    424.843  7494.26    632.850  7499.16    573.205  116.176 5.0294  116.478 4.5435  -0.3026352     6.777796  
1 1 1 -4  81  18 o 95.553  3.1374  5005.19    324.703  5035.27    546.101  4988.74    403.842  94.619  5.3507  95.073  3.9218  -0.4540558     6.634009  
1 1 1 -4  81  19 o 29.743  7.4610  536.817    239.942  727.404    372.060  401.114    313.950  33.824  9.6704  26.238  9.0750  7.586647       13.26173  
1 1 1 -4  81  20 o 62.626  2.5803  2146.35    175.020  2064.69    438.273  2161.85    190.902  59.200  6.9687  62.791  2.8070  -3.591454      7.512780  
1 1 1 -4  81  21 o 50.218  5.0904  1440.25    273.049  1681.43    428.680  1275.60    354.194  52.630  7.7524  45.983  7.3600  6.647377       10.68970  
1 1 1 -4  81  22 o 17.427  7.4689  39.858     251.959  -268.3605  432.678  198.002    309.929  18.504  8.6574  21.546  8.6667  -3.041637      12.24998  
1 1 1 -4  81  23 f 24.264  7.5918  364.635    221.657  -1.5546    451.055  481.223    254.508  21.282  9.5231  27.486  8.0395  -6.203489      12.46284  
1 1 1 -4  81  24 o 20.778  8.4167  183.823    294.542  0.0000     0.0000   183.823    294.542  ?       ?       20.778  8.4167  0.000000       8.416696  
1 1 1 -4  82  1  o 108.648 2.9042  6412.47    341.757  5892.71    485.108  6924.63    481.546  103.960 4.3083  112.757 3.9430  -8.797516      5.840234  
1 1 1 -4  82  2  o 77.873  2.8016  3293.55    236.296  3302.72    334.429  3284.41    333.919  77.766  3.9839  77.549  3.9891  0.2172852      5.637710  
1 1 1 -4  82  3  o 127.419 3.0138  8822.25    415.926  9127.04    593.292  8527.68    583.252  129.389 4.2335  125.054 4.3061  4.334961       6.038683  
1 1 1 -4  82  4  o 111.806 2.9784  6792.67    360.679  6435.65    507.464  7157.14    512.730  108.627 4.3132  114.588 4.1312  -5.960693      5.972494  
1 1 1 -4  82  5  o 34.976  4.4451  678.099    164.589  653.645    236.535  701.053    229.167  33.879  6.6834  35.210  6.2375  -1.330486      9.141942  
1 1 1 -4  82  6  o 118.780 3.0237  7669.15    389.005  7643.44    552.366  7694.46    547.933  118.354 4.3090  118.759 4.2598  -0.4044876     6.059141  
1 1 1 -4  82  7  o 138.516 3.2417  10437.50   486.339  10597.80   698.765  10286.89   677.312  139.249 4.6331  137.211 4.5575  2.037476       6.498955  
1 1 1 -4  82  8  o 82.725  3.0011  3721.30    268.895  3730.24    390.630  3713.26    370.702  82.520  4.3863  82.377  4.1684  0.1430969      6.051024  
1 1 1 -4  82  9  o 61.515  3.2675  2065.60    216.923  2291.16    329.395  1892.85    288.257  64.525  4.7466  58.652  4.5737  5.872597       6.591563  
1 1 1 -4  82  10 o 74.964  3.1394  3059.02    254.900  3048.55    369.607  3068.51    352.003  74.479  4.6044  74.779  4.3651  -0.2991791     6.344587  
1 1 1 -4  82  11 o 39.869  4.4595  880.809    189.271  751.236    306.157  960.966    240.800  35.932  8.0646  41.432  5.5020  -5.500294      9.762690  
1 1 1 -4  82  12 o 49.922  3.7939  1369.04    203.603  1815.56    305.744  1013.24    272.921  57.267  4.9788  42.371  6.1248  14.89600       7.893128  
1 1 1 -4  82  13 o 44.636  4.1280  1099.94    197.310  1319.93    295.690  923.355    264.916  48.535  5.7357  40.339  6.2667  8.196285       8.495317  
1 1 1 -4  82  14 o 97.482  3.3227  5185.56    350.817  5419.49    537.816  5012.31    462.842  99.051  5.0296  95.546  4.4725  3.505905       6.730525  
1 1 1 -4  82  15 o 84.898  3.4920  3940.52    321.098  4288.50    490.579  3679.70    424.712  87.929  5.1740  81.554  4.8297  6.375122       7.077815  
1 1 1 -4  82  16 o 69.221  3.7292  2635.06    278.563  2567.21    425.084  2686.13    368.783  67.570  5.8665  69.499  4.9311  -1.929222      7.663716  
1 1 1 -4  82  17 o 78.886  3.7014  3421.77    316.251  3606.52    512.212  3307.96    402.031  79.834  5.9668  77.010  4.8447  2.824196       7.685939  
1 1 1 -4  82  18 o 17.013  7.1052  56.080     218.442  -273.1745  363.684  241.902    273.217  17.080  7.9732  22.241  8.3591  -5.161554      11.55192  
1 1 1 -4  82  19 f 46.204  5.2697  1217.38    258.994  1500.21    416.725  1039.38    330.595  49.867  7.9850  41.538  7.6294  8.328953       11.04393  
1 1 1 -4  82  20 o 23.486  7.9755  319.637    242.205  658.787    382.224  92.080     313.088  31.953  9.9647  20.047  8.4475  11.90532       13.06353  
1 1 1 -4  82  21 o 53.293  4.8915  1617.28    279.191  1456.08    437.091  1728.38    362.860  48.136  8.7040  54.270  6.2897  -6.134281      10.73870  
1 1 1 -4  82  22 o 61.625  2.7758  2088.77    185.274  1924.05    535.237  2111.20    197.483  54.516  9.4044  61.895  2.9458  -7.378227      9.854939  
1 1 1 -4  82  23 o 35.415  1.7014  683.516    65.262   303.252    465.415  691.143    65.913   25.244  10.442  35.611  1.7089  -10.36741      10.58125  
1 1 1 -4  83  1  o 181.672 3.6735  17966.89   722.839  17761.26   1023.38  18171.63   1021.12  180.144 5.2450  182.240 5.1733  -2.095276      7.367004  
1 1 1 -4  83  2  f 66.668  2.8819  2414.79    208.101  2347.68    303.167  2474.58    286.167  65.468  4.2993  67.280  3.9442  -1.812325      5.834490  
1 1 1 -4  83  3  o 24.711  5.2019  346.561    134.822  404.942    197.572  295.683    184.439  26.601  6.8241  23.008  6.8736  3.592232       9.685764  
1 1 1 -4  83  4  f 30.478  4.7523  519.396    151.762  527.852    207.460  509.662    222.586  30.403  6.4972  29.801  7.0128  0.6015396      9.560010  
1 1 1 -4  83  5  o 78.598  2.9636  3357.79    252.290  3412.30    357.212  3303.52    356.375  78.980  4.1908  77.697  4.2509  1.283730       5.969343  
1 1 1 -4  83  6  o 106.502 2.9777  6166.38    343.479  6147.47    492.775  6184.25    479.022  106.119 4.2873  106.462 4.1542  -0.3428726     5.969831  
1 1 1 -4  83  7  o 141.406 3.2617  10881.50   499.549  10776.31   712.654  10983.12   700.442  140.359 4.6878  141.736 4.5627  -1.377609      6.541687  
1 1 1 -4  83  8  o 103.260 2.9733  5799.09    332.538  5372.88    472.525  6217.29    468.065  99.143  4.4004  106.725 4.0492  -7.582466      5.979949  
1 1 1 -4  83  9  o 35.723  4.6210  709.943    174.605  785.526    275.990  659.504    225.459  37.015  7.1429  34.024  6.3516  2.990292       9.558427  
1 1 1 -4  83  10 o 58.899  3.4541  1897.35    219.385  1967.93    343.718  1848.83    284.986  59.579  5.3847  57.923  4.5800  1.656403       7.069002  
1 1 1 -4  83  11 f 82.191  3.0577  3678.57    272.202  3873.09    401.312  3512.82    370.442  83.971  4.4281  79.995  4.2912  3.976631       6.166225  
1 1 1 -4  83  12 o 109.818 3.0592  6569.94    363.867  6274.88    518.154  6857.02    511.091  106.964 4.4725  111.893 4.2172  -4.929626      6.147202  
1 1 1 -4  83  13 o 104.547 3.0979  5957.24    350.791  5945.74    510.585  5967.52    482.768  104.067 4.5298  104.336 4.2720  -0.2687302     6.226524  
1 1 1 -4  83  14 o 30.824  6.8513  551.885    222.803  501.163    350.574  586.254    288.580  29.617  9.5810  31.534  8.3263  -1.917097      12.69340  
1 1 1 -4  83  15 o 37.931  5.7839  817.782    230.104  1115.61    355.673  603.397    301.764  43.714  7.7981  31.847  8.5630  11.86721       11.58166  
1 1 1 -4  83  16 o 87.021  3.5108  4152.76    330.899  4319.70    507.993  4029.73    436.111  87.876  5.3629  85.161  4.7470  2.715714       7.162035  
1 1 1 -4  83  17 o 39.252  1.7864  837.716    75.948   484.829    361.625  853.999    77.681   28.678  9.7453  39.630  1.8098  -10.95227      9.911927  
1 1 1 -4  83  18 o 43.406  5.3785  1076.24    247.444  1226.94    400.643  983.302    314.623  44.755  8.5773  40.538  7.4398  4.216328       11.35430  
1 1 1 -4  83  19 o 62.299  4.2319  2168.81    283.862  2243.61    456.901  2121.78    362.257  61.814  6.9446  60.952  5.5480  0.8620148      8.888654  
1 1 1 -4  83  20 o 18.361  7.5663  96.939     243.081  43.189     394.150  129.930    308.799  21.131  9.1993  20.540  8.5020  0.5904541      12.52640  
1 1 1 -4  83  21 o 22.967  8.2897  297.052    264.165  157.578    478.927  358.040    316.698  23.916  10.275  24.878  9.0617  -0.9613705     13.69990  
1 1 1 -4  83  22 o 57.744  4.9487  1909.42    306.518  1763.83    530.809  1982.26    375.440  51.642  9.8494  58.079  6.0574  -6.437187      11.56304  
1 1 1 -4  83  23 o 60.754  4.1605  2082.76    272.129  2035.71    544.669  2098.41    314.148  55.891  9.3262  60.566  4.8290  -4.675282      10.50225  
1 1 1 -4  84  1  f 93.358  2.8822  4736.07    291.437  4601.39    415.098  4866.99    409.271  91.850  4.1726  94.491  3.9990  -2.640953      5.779471  
1 1 1 -4  84  2  o 34.631  3.8099  661.164    140.546  574.671    208.777  732.846    190.062  31.781  6.2878  36.274  4.9681  -4.492880      8.013624  
1 1 1 -4  84  3  o 58.587  3.1571  1872.06    199.596  1743.40    289.686  1988.33    275.399  56.267  4.7993  60.217  4.2498  -3.950718      6.410476  
1 1 1 -4  84  4  o 71.073  2.9078  2745.58    223.840  2516.36    318.247  2970.00    314.895  67.751  4.3601  73.702  3.9592  -5.950981      5.889446  
1 1 1 -4  84  5  o 29.802  4.9278  498.668    153.504  521.382    226.867  479.488    208.473  30.107  7.0766  28.897  6.7780  1.210279       9.798930  
1 1 1 -4  84  6  o 90.508  2.9919  4454.62    293.299  4407.73    417.933  4500.12    411.711  89.834  4.2953  90.789  4.1869  -0.9557800     5.998311  
1 1 1 -4  84  7  o 138.305 3.2042  10410.96   479.981  10200.43   681.773  10617.85   675.856  136.535 4.6103  139.341 4.4782  -2.806061      6.427189  
1 1 1 -4  84  8  o 129.959 3.1347  9192.80    441.243  9125.51    626.609  9258.99    621.446  129.144 4.4797  130.106 4.4100  -0.9615936     6.286171  
1 1 1 -4  84  9  o 79.676  2.9511  3454.10    254.672  3251.96    363.409  3649.17    356.996  76.972  4.3772  81.728  4.0329  -4.756233      5.951817  
1 1 1 -4  84  10 o 72.186  3.1079  2837.73    242.992  2907.50    358.485  2778.42    330.504  72.693  4.5764  71.119  4.3110  1.574753       6.287188  
1 1 1 -4  84  11 f 59.824  3.4028  1958.27    219.572  2155.85    331.279  1803.46    293.234  62.436  4.9391  57.111  4.7846  5.325382       6.876598  
1 1 1 -4  84  12 o 22.766  6.6082  294.983    172.539  107.791    265.660  431.548    226.910  19.786  8.0009  27.289  7.4624  -7.503319      10.94084  
1 1 1 -4  84  13 o 71.329  3.3993  2777.86    262.620  3192.09    401.663  2468.55    347.087  75.979  4.9071  66.800  4.8298  9.179176       6.885247  
1 1 1 -4  84  14 o 30.058  6.9879  527.500    223.186  795.389    353.211  349.453    287.956  36.475  8.9967  25.412  8.6959  11.06274       12.51239  
1 1 1 -4  84  15 o 71.623  3.7026  2821.16    286.248  2857.78    429.077  2791.79    384.254  71.399  5.5932  70.790  5.0446  0.6095657      7.532062  
1 1 1 -4  84  16 o 66.874  3.9816  2473.98    287.089  2504.98    449.607  2452.65    373.039  66.245  6.3439  66.074  5.2561  0.1710358      8.238396  
1 1 1 -4  84  17 o 42.949  5.2417  1049.31    238.775  1044.07    372.089  1052.98    311.334  41.291  8.5993  42.246  7.0528  -0.9549713     11.12158  
1 1 1 -4  84  18 o 41.962  5.6582  1013.03    250.605  680.050    418.837  1198.72    312.768  32.660  10.463  45.270  6.5708  -12.61031      12.35485  
1 1 1 -4  84  19 o 60.639  2.6227  2013.31    172.254  2173.69    499.843  1991.70    183.494  60.083  7.8701  60.263  2.8112  -0.1799736     8.357082  
1 1 1 -4  84  20 o 35.379  7.2792  762.690    269.632  670.944    487.321  803.168    323.692  31.907  11.287  35.674  8.4986  -3.767027      14.12903  
1 1 1 -4  84  21 o 72.018  2.9317  2855.87    228.678  2727.46    507.460  2888.59    256.161  67.516  7.0431  72.283  3.2720  -4.766319      7.766002  
1 1 1 -4  84  22 o 18.627  7.7390  103.579    257.250  269.689    445.691  20.591     315.022  24.642  10.208  18.710  8.1828  5.931532       13.08296  
1 1 1 -4  85  1  o 120.190 2.9803  7853.58    387.969  7803.75    551.910  7902.25    545.488  119.566 4.2618  120.335 4.1853  -0.7692184     5.973206  
1 1 1 -4  85  2  o 37.350  3.7703  767.818    150.436  732.751    215.115  801.383    210.458  36.107  5.6889  37.886  5.2717  -1.779026      7.755895  
1 1 1 -4  85  3  o 56.000  3.0579  1710.47    184.770  1695.24    267.469  1724.37    255.546  55.523  4.4860  56.046  4.2412  -0.5229568     6.173461  
1 1 1 -4  85  4  o 46.298  3.5311  1174.12    175.733  1207.03    257.896  1145.60    240.105  46.645  5.1928  45.478  4.9547  1.167343       7.177320  
1 1 1 -4  85  5  o 87.914  2.9171  4202.59    277.768  4127.78    398.751  4273.12    387.153  86.934  4.2349  88.485  4.0396  -1.551086      5.852607  
1 1 1 -4  85  6  o 28.088  5.4337  447.733    159.330  335.147    239.336  537.341    213.520  24.706  7.9084  30.601  6.6336  -5.894236      10.32218  
1 1 1 -4  85  7  o 56.929  3.2828  1770.65    201.561  1600.47    290.439  1928.76    279.952  53.784  5.0447  59.226  4.3955  -5.441921      6.691012  
1 1 1 -4  85  8  o 53.149  3.3948  1545.47    194.408  1376.74    278.218  1706.45    271.765  49.791  5.2375  55.645  4.5490  -5.853973      6.937207  
1 1 1 -4  85  9  o 73.568  2.9951  2946.17    238.660  3031.31    341.735  2865.11    333.450  74.310  4.2638  72.234  4.2812  2.076431       6.042190  
1 1 1 -4  85  10 o 34.526  4.7011  665.771    171.225  653.073    256.004  676.050    230.324  33.585  7.2501  34.383  6.4210  -0.7978172     9.684726  
1 1 1 -4  85  11 o 99.471  3.0704  5390.74    330.797  5474.09    489.971  5320.93    448.422  99.886  4.5289  98.568  4.2003  1.317863       6.176889  
1 1 1 -4  85  12 o 72.703  3.2865  2883.63    258.797  2717.46    392.030  3011.99    344.541  70.007  5.2074  73.985  4.3184  -3.977402      6.765022  
1 1 1 -4  85  13 o 41.052  5.1096  944.343    222.272  658.997    327.170  1188.94    302.911  33.292  8.9012  45.782  6.2737  -12.48944      10.88996  
1 1 1 -4  85  14 o 37.452  5.9160  800.200    232.012  649.073    363.958  903.652    301.128  32.875  9.6134  39.372  7.3311  -6.497154      12.08982  
1 1 1 -4  85  15 o 16.923  7.0772  46.895     217.137  104.575    339.923  7.1360     282.221  21.346  8.8848  18.258  7.8661  3.088554       11.86650  
1 1 1 -4  85  16 o 58.396  4.5025  1904.45    282.580  1960.09    473.740  1873.71    352.071  57.586  7.7958  57.384  5.7416  0.2017937      9.682030  
1 1 1 -4  85  17 o 14.303  6.4866  -100.8397  217.384  190.328    365.087  -260.7712  270.578  22.973  9.3469  14.285  6.7342  8.688187       11.52021  
1 1 1 -4  85  18 o 23.511  7.6766  322.127    224.803  85.443     360.401  472.861    287.612  21.145  8.9940  27.809  8.6392  -6.663940      12.47106  
1 1 1 -4  85  19 o 90.383  3.6175  4519.46    354.135  4255.01    550.049  4706.69    462.817  86.002  5.9415  91.477  4.6869  -5.474487      7.567590  
1 1 1 -4  85  20 o 72.893  4.1547  2976.96    326.657  2467.17    560.457  3239.23    401.996  63.210  8.3938  75.531  4.9411  -12.32094      9.740191  
1 1 1 -4  85  21 o 47.717  5.4253  1319.22    275.409  1161.92    434.612  1424.77    356.016  41.857  9.7653  48.644  6.9553  -6.786751      11.98904  
1 1 1 -4  85  22 o 30.636  8.0799  597.902    271.955  386.743    471.686  703.049    332.848  26.637  10.700  32.706  9.0761  -6.068747      14.03073  
1 1 1 -4  86  1  o 46.072  3.2939  1161.19    163.286  1048.44    230.713  1274.34    231.131  43.472  4.9904  48.079  4.4905  -4.606831      6.713318  
1 1 1 -4  86  2  o 151.843 3.3177  12551.19   545.632  12620.27   775.585  12483.49   767.756  151.859 4.7154  151.042 4.6931  0.8177795      6.652802  
1 1 1 -4  86  3  o 122.643 3.0536  8182.19    405.623  7904.72    577.643  8452.10    569.714  120.248 4.4352  124.395 4.2285  -4.146881      6.127887  
1 1 1 -4  86  4  o 69.894  2.9380  2656.86    222.416  2664.32    316.820  2649.61    312.315  69.712  4.2158  69.529  4.1664  0.1833420      5.927224  
1 1 1 -4  86  5  o 154.470 3.3804  12996.55   565.562  12849.81   803.692  13140.49   796.013  153.133 4.8456  154.893 4.7448  -1.759720      6.781821  
1 1 1 -4  86  6  f 175.527 3.6447  16800.70   692.903  16964.87   987.500  16641.47   972.497  175.764 5.1872  174.095 5.1574  1.669510       7.314806  
1 1 1 -4  86  7  o 48.220  3.7043  1275.91    191.990  1322.94    269.431  1227.40    273.648  48.810  5.1755  46.921  5.4883  1.888496       7.543653  
1 1 1 -4  86  8  o 72.259  3.0324  2842.62    237.328  3001.01    338.921  2690.24    332.438  73.940  4.2499  69.957  4.4100  3.982399       6.124499  
1 1 1 -4  86  9  o 78.287  2.9766  3336.82    252.392  3427.27    361.872  3251.15    352.197  79.013  4.2440  76.951  4.2421  2.062317       6.000596  
1 1 1 -4  86  10 o 14.367  5.9533  32.733     151.638  60.854     230.048  11.128     201.646  17.812  7.3527  15.852  6.7347  1.960096       9.970846  
1 1 1 -4  86  11 o 68.721  3.3620  2576.84    250.237  2365.31    376.759  2743.81    334.734  65.251  5.3789  70.593  4.3998  -5.341545      6.949180  
1 1 1 -4  86  12 o 50.313  3.9744  1395.33    214.820  1538.27    321.303  1279.78    288.880  52.362  5.7607  47.725  5.7014  4.636677       8.105035  
1 1 1 -4  86  13 o 41.701  4.9522  973.684    219.298  838.592    317.607  1096.77    303.164  37.706  8.0234  43.776  6.5989  -6.070393      10.38848  
1 1 1 -4  86  14 o 80.262  3.5445  3532.35    308.133  3137.72    464.222  3843.15    411.974  74.682  5.7842  83.255  4.5864  -8.572693      7.381829  
1 1 1 -4  86  15 o 48.112  4.8282  1299.81    248.205  1313.83    381.865  1289.56    326.607  47.121  7.7517  47.231  6.5618  -0.1100922     10.15609  
1 1 1 -4  86  16 o 35.730  1.9213  696.751    74.079   506.541    393.807  703.729    75.425   29.210  10.160  35.905  1.9468  -6.695581      10.34522  
1 1 1 -4  86  17 o 75.893  3.7780  3182.52    310.556  2995.36    482.419  3314.97    405.830  72.181  6.2317  76.796  4.9047  -4.614456      7.930345  
1 1 1 -4  86  18 o 36.319  6.2819  775.700    238.167  894.030    377.121  697.193    307.175  37.501  9.3243  33.446  8.4705  4.054611       12.59728  
1 1 1 -4  86  19 o 48.480  4.9838  1339.26    257.967  1086.64    404.016  1513.15    335.190  41.214  9.2748  50.895  6.2094  -9.680561      11.16143  
1 1 1 -4  86  20 o 18.876  7.5446  139.336    233.245  137.391    389.918  140.420    291.064  22.136  9.3826  20.201  8.2967  1.934965       12.52471  
1 1 1 -4  86  21 o 18.781  7.6451  125.427    244.396  -18.8473   407.482  206.484    305.430  20.376  9.0893  21.584  8.6312  -1.207697      12.53447  
1 1 1 -4  87  1  o 100.918 2.9127  5538.61    318.374  5554.17    461.254  5524.46    439.996  100.826 4.2237  100.594 4.0384  0.2321472      5.843645  
1 1 1 -4  87  2  o 41.799  3.5854  959.135    160.753  916.983    233.727  996.974    221.449  40.498  5.4683  42.378  4.9160  -1.879200      7.353158  
1 1 1 -4  87  3  o 55.473  3.2919  1681.43    196.900  1894.80    271.334  1444.07    286.177  58.724  4.2958  51.025  5.2533  7.699650       6.786098  
1 1 1 -4  87  4  o 26.226  5.4365  391.709    149.357  381.687    206.205  402.770    216.627  25.811  7.1368  26.494  7.3106  -0.6824360     10.21657  
1 1 1 -4  87  5  o 52.092  3.3658  1484.43    188.886  1645.82    276.290  1342.81    258.817  54.610  4.7175  49.244  4.9183  5.365524       6.815001  
1 1 1 -4  87  6  o 92.776  2.9694  4684.13    298.382  4459.23    429.260  4894.39    415.050  90.262  4.3908  94.638  4.0492  -4.376457      5.972861  
1 1 1 -4  87  7  o 71.865  3.1180  2812.64    242.698  2506.31    356.552  3077.09    331.291  67.388  4.9191  74.907  4.0989  -7.519569      6.402988  
1 1 1 -4  87  8  o 15.590  6.1141  81.535     150.480  142.852    217.819  25.550     208.132  19.241  7.4084  16.384  6.8949  2.856554       10.12043  
1 1 1 -4  87  9  o 64.033  3.2219  2240.29    222.736  2203.33    327.696  2272.04    303.669  63.153  4.8273  64.244  4.3904  -1.090889      6.525226  
1 1 1 -4  87  10 o 97.405  3.0387  5169.42    320.577  5225.08    456.413  5115.22    450.376  97.627  4.3163  96.599  4.3046  1.028633       6.095937  
1 1 1 -4  87  11 o 130.663 3.2196  9315.49    455.642  9399.89    657.692  9237.60    631.837  130.726 4.6451  129.654 4.4993  1.071594       6.466886  
1 1 1 -4  87  12 o 122.552 3.1991  8201.16    424.642  7938.56    609.527  8448.82    591.929  120.008 4.6893  123.931 4.4098  -3.922424      6.437116  
1 1 1 -4  87  13 o 39.507  5.4830  884.360    228.294  920.458    349.384  857.465    301.578  39.255  8.4663  38.186  7.5592  1.069561       11.34983  
1 1 1 -4  87  14 o 91.716  3.4288  4615.31    340.608  4355.16    509.302  4825.80    458.135  88.126  5.3613  93.334  4.5320  -5.207642      7.020130  
1 1 1 -4  87  15 o 109.678 3.4252  6612.01    406.887  6471.79    609.266  6724.90    546.662  107.454 5.2350  109.966 4.5898  -2.511848      6.962080  
1 1 1 -4  87  16 f 54.696  2.4875  1633.79    147.364  1617.84    425.787  1635.96    157.072  52.120  7.7808  54.701  2.6511  -2.580597      8.220079  
1 1 1 -4  87  17 o 20.725  7.7458  210.214    233.956  266.917    382.035  176.189    295.939  24.433  9.6908  21.253  8.4970  3.180401       12.88833  
1 1 1 -4  87  18 o 28.644  7.5488  502.391    237.493  300.059    393.929  617.925    297.674  25.012  9.8657  31.414  8.5293  -6.402281      13.04149  
1 1 1 -4  87  19 o 35.500  6.5586  752.789    242.893  803.359    390.274  720.817    310.317  34.947  9.8742  33.769  8.4926  1.177513       13.02400  
1 1 1 -4  87  20 o 36.216  6.6294  788.932    250.459  837.170    414.176  761.123    314.473  35.207  10.244  34.555  8.4684  0.6513977      13.29094  
1 1 1 -4  87  21 o 17.956  7.6325  60.406     259.247  74.060     406.049  51.009     336.835  21.471  9.3423  19.714  8.5433  1.756407       12.65965  
1 1 1 -4  88  1  o 55.132  3.1815  1660.18    189.169  1616.85    278.102  1697.49    258.071  54.111  4.7948  55.552  4.3231  -1.441097      6.455950  
1 1 1 -4  88  2  o 62.040  3.0917  2094.96    207.752  2061.93    310.097  2121.87    279.839  61.170  4.7168  62.172  4.1800  -1.001541      6.302447  
1 1 1 -4  88  3  o 81.508  2.8993  3614.14    255.960  3294.78    367.544  3914.87    356.667  77.477  4.3981  84.680  3.8888  -7.203003      5.870727  
1 1 1 -4  88  4  o 16.702  6.1823  121.710    148.336  -236.3414  235.975  355.627    190.732  13.538  6.3527  24.912  6.8538  -11.37481      9.345136  
1 1 1 -4  88  5  f 77.527  3.1022  3272.73    260.495  3248.10    365.453  3298.17    371.409  76.902  4.4059  77.485  4.4441  -0.5828247     6.257975  
1 1 1 -4  88  6  o 100.697 3.0104  5520.24    328.327  5510.80    463.905  5529.71    464.746  100.345 4.2684  100.517 4.2688  -0.1718979     6.036684  
1 1 1 -4  88  7  o 18.791  6.3380  183.945    152.947  104.735    224.615  252.422    208.844  18.570  7.4100  21.902  7.4061  -3.331703      10.47656  
1 1 1 -4  88  8  o 42.682  4.1162  1005.79    187.925  1009.55    283.387  1002.84    251.069  42.207  6.3998  42.273  5.6230  -0.6657410E-01 8.519162  
1 1 1 -4  88  9  o 83.017  3.0573  3755.28    274.903  3894.17    394.058  3623.59    383.692  84.171  4.3372  81.175  4.3803  2.996651       6.164246  
1 1 1 -4  88  10 o 12.251  5.5464  -83.8746   158.118  -32.3217   230.242  -129.8896  217.525  16.082  7.0155  14.101  6.4310  1.981750       9.517070  
1 1 1 -4  88  11 o 53.507  3.8326  1576.29    220.646  1485.92    333.635  1646.54    294.161  51.292  6.1268  54.372  5.0528  -3.079773      7.941548  
1 1 1 -4  88  12 o 23.023  7.3578  298.115    207.233  303.120    310.793  294.109    278.074  24.579  8.9731  23.865  8.5173  0.7138157      12.37183  
1 1 1 -4  88  13 o 37.975  5.7468  824.464    228.980  446.399    349.512  1108.75    303.082  27.983  9.5804  43.828  6.5884  -15.84543      11.62716  
1 1 1 -4  88  14 o 31.135  7.1766  577.985    237.050  639.690    391.022  542.130    298.068  32.164  10.087  29.864  8.6904  2.300175       13.31404  
1 1 1 -4  88  15 o 89.004  3.4727  4357.72    334.771  4473.04    499.113  4263.42    451.357  89.189  5.1892  87.306  4.7915  1.883606       7.062984  
1 1 1 -4  88  16 o 72.537  3.8079  2915.11    298.126  2717.26    451.552  3068.00    396.936  68.812  6.1226  73.831  4.9931  -5.018639      7.900440  
1 1 1 -4  88  17 o 26.517  8.0490  426.751    251.434  345.325    446.586  464.541    304.234  26.561  10.496  27.607  8.9248  -1.046099      13.77713  
1 1 1 -4  88  18 o 43.313  5.5999  1084.02    256.551  1053.00    417.224  1102.88    325.323  40.363  9.6706  42.820  7.2748  -2.457527      12.10138  
1 1 1 -4  88  19 o 57.681  4.5310  1879.43    280.791  1859.80    454.290  1891.57    357.190  55.245  7.8100  57.094  5.8592  -1.849415      9.763462  
1 1 1 -4  88  20 o 57.140  2.4977  1789.52    154.577  1340.19    478.279  1841.92    163.343  44.905  10.081  57.941  2.6028  -13.03590      10.41143  
1 1 1 -4  89  1  o 113.843 2.9734  7053.26    366.638  7019.83    522.433  7085.70    514.664  113.282 4.2580  113.834 4.1743  -0.5523682     5.962780  
1 1 1 -4  89  2  o 123.723 3.0392  8332.70    407.266  7998.41    578.153  8661.97    573.793  120.869 4.4163  125.846 4.2097  -4.976173      6.101213  
1 1 1 -4  89  3  o 29.686  5.1246  497.561    158.816  501.538    220.790  493.297    228.614  29.452  7.0206  29.187  7.2614  0.2655087      10.10033  
1 1 1 -4  89  4  o 87.360  3.0026  4154.45    284.103  4139.54    410.310  4168.18    393.764  86.845  4.3762  87.297  4.1646  -0.4512787     6.041046  
1 1 1 -4  89  5  o 90.892  3.0434  4498.25    299.604  4125.11    432.899  4841.30    415.073  86.614  4.6313  94.093  4.0728  -7.479019      6.167413  
1 1 1 -4  89  6  o 66.521  3.2417  2411.42    233.564  2194.95    319.133  2661.11    342.747  63.079  4.7049  69.519  4.5776  -6.440212      6.564309  
1 1 1 -4  89  7  o 27.715  5.8338  440.006    169.578  553.589    236.965  320.780    242.781  30.885  7.2141  24.266  7.9803  6.619459       10.75776  
1 1 1 -4  89  8  o 18.806  6.6993  171.983    171.959  86.642     250.080  248.523    236.834  18.921  7.7214  22.246  7.8688  -3.324564      11.02447  
1 1 1 -4  89  9  o 57.414  3.5081  1807.47    217.107  1765.33    311.613  1847.23    302.655  56.335  5.1645  57.715  4.8875  -1.380249      7.110516  
1 1 1 -4  89  10 o 22.390  6.5765  286.201    169.992  351.172    247.398  228.089    233.974  25.013  8.0441  21.594  7.8005  3.419130       11.20514  
1 1 1 -4  89  11 o 63.810  3.7001  2239.36    254.623  2055.83    407.464  2356.96    326.145  60.239  6.3403  65.185  4.6500  -4.946312      7.862677  
1 1 1 -4  89  12 o 60.936  3.8985  2050.25    255.955  1922.95    376.222  2159.95    349.232  58.223  6.0545  62.079  5.2430  -3.856884      8.009141  
1 1 1 -4  89  13 o 19.583  7.2656  181.435    205.105  98.160     301.886  252.831    279.527  20.210  8.3892  22.734  8.4725  -2.523258      11.92317  
1 1 1 -4  89  14 o 43.592  5.1489  1076.78    238.408  1037.00    360.279  1107.77    317.987  41.382  8.3265  43.453  6.9938  -2.070572      10.87394  
1 1 1 -4  89  15 o 77.468  3.7539  3311.88    314.975  3512.28    491.598  3172.32    410.243  78.571  5.8181  75.088  5.0741  3.482491       7.719834  
1 1 1 -4  89  16 o 21.435  7.7410  241.193    230.398  133.558    365.873  311.924    296.591  22.011  9.1944  24.059  8.7684  -2.047878      12.70519  
1 1 1 -4  89  17 o 59.221  4.5849  1973.92    291.792  2094.25    496.026  1910.24    360.828  58.873  7.9850  57.570  5.8689  1.302948       9.909777  
1 1 1 -4  89  18 o 68.235  2.7633  2554.99    204.222  2555.86    470.347  2554.79    226.707  65.930  6.6789  68.127  3.0724  -2.197479      7.351642  
1 1 1 -4  89  19 o 28.013  7.8191  489.724    246.284  106.981    416.318  695.782    305.469  22.213  9.5620  33.063  8.4871  -10.84985      12.78527  
1 1 1 -4  89  20 o 14.544  2.1228  117.919    32.455   60.495     424.061  118.257    32.550   21.724  9.4975  14.565  2.1260  7.159038       9.732522  
1 1 1 -4  90  1  o 121.833 3.1463  8084.33    415.177  8158.71    594.414  8013.48    580.144  122.031 4.4973  120.961 4.4281  1.069656       6.311416  
1 1 1 -4  90  2  o 121.238 3.1077  8004.71    408.079  7762.81    571.203  8256.87    583.205  119.051 4.4298  122.795 4.3850  -3.743896      6.233124  
1 1 1 -4  90  3  o 108.124 3.0445  6365.42    356.540  5822.26    506.842  6897.50    501.647  103.069 4.5402  112.300 4.1243  -9.231102      6.133771  
1 1 1 -4  90  4  o 140.998 3.2788  10834.92   500.728  10565.19   710.326  11101.35   705.967  138.760 4.7263  142.294 4.5807  -3.533707      6.581840  
1 1 1 -4  90  5  o 56.369  3.4244  1739.26    208.082  1640.75    294.870  1836.97    293.680  54.396  5.0630  57.661  4.7445  -3.264473      6.938619  
1 1 1 -4  90  6  o 49.149  3.8795  1328.68    204.837  764.835    280.898  1969.03    299.348  36.348  7.3870  59.711  4.6657  -23.36354      8.737063  
1 1 1 -4  90  7  o 46.175  4.0292  1175.88    199.488  916.346    271.233  1481.71    294.430  40.109  6.4631  51.550  5.3513  -11.44040      8.390947  
1 1 1 -4  90  8  o 25.088  6.3804  364.099    173.777  418.654    245.328  309.160    246.191  26.918  7.8988  23.927  8.0413  2.991392       11.27178  
1 1 1 -4  90  9  f 50.238  3.9190  1391.44    211.557  1340.35    311.962  1434.95    287.863  48.714  6.0424  50.651  5.3270  -1.937431      8.055284  
1 1 1 -4  90  10 f 20.542  6.6495  232.533    168.845  373.103    246.717  108.695    231.568  25.523  8.0134  18.708  7.5032  6.814932       10.97785  
1 1 1 -4  90  11 o 91.252  3.2820  4558.54    324.379  4523.97    475.017  4588.75    444.031  90.198  4.8805  91.124  4.4989  -0.9263535     6.637724  
1 1 1 -4  90  12 o 64.254  3.8183  2280.93    264.532  2472.52    386.869  2112.69    362.527  66.251  5.4394  61.169  5.5318  5.082325       7.758074  
1 1 1 -4  90  13 o 66.450  3.7057  2439.18    265.646  2311.12    385.577  2554.88    366.509  63.864  5.6319  67.454  5.0533  -3.590202      7.566627  
1 1 1 -4  90  14 o 89.338  3.4428  4388.95    333.130  4425.76    493.001  4358.03    451.911  88.747  5.1511  88.306  4.7422  0.4400406      7.001601  
1 1 1 -4  90  15 o 107.134 3.4436  6320.03    399.582  6520.49    599.226  6159.52    536.201  107.738 5.1351  105.010 4.7144  2.727509       6.971005  
1 1 1 -4  90  16 o 43.400  5.4747  1080.69    251.620  1277.36    395.114  946.511    326.353  45.732  8.2819  39.418  7.9189  6.313553       11.45855  
1 1 1 -4  90  17 o 44.880  5.5208  1160.14    262.707  1399.63    426.787  1014.04    333.341  47.507  8.6116  40.731  7.8406  6.775406       11.64618  
1 1 1 -4  90  18 o 41.057  2.0945  922.378    92.831   1090.07    429.372  914.155    95.080   40.800  9.8321  40.861  2.1560  -0.6019974E-01 10.06572  
1 1 1 -4  90  19 o 78.566  3.9971  3450.56    339.014  3166.16    524.408  3654.75    444.352  73.239  6.6845  80.048  5.1525  -6.809418      8.439841  
1 1 1 -4  91  1  o 26.539  6.3891  405.956    181.445  311.356    289.603  467.087    232.803  24.719  8.7059  28.384  7.4708  -3.664730      11.47196  
1 1 1 -4  91  2  o 65.078  3.2458  2308.25    228.789  2347.71    329.333  2271.45    318.073  65.246  4.6916  64.193  4.6054  1.052536       6.574264  
1 1 1 -4  91  3  o 52.374  3.7156  1505.49    209.406  1559.87    317.643  1463.69    278.492  52.871  5.6337  51.342  5.0744  1.528519       7.582108  
1 1 1 -4  91  4  o 97.032  3.1551  5131.12    331.590  4973.94    466.445  5291.71    471.474  95.218  4.5229  98.238  4.4311  -3.019890      6.331723  
1 1 1 -4  91  5  o 108.479 3.0373  6411.83    356.867  6228.34    506.806  6592.28    502.592  106.563 4.3910  109.682 4.2307  -3.118851      6.097498  
1 1 1 -4  91  6  o 115.310 3.0831  7248.23    385.052  6912.87    540.864  7592.88    548.305  112.212 4.4502  117.654 4.3028  -5.441772      6.190145  
1 1 1 -4  91  7  o 107.155 3.1089  6262.59    360.818  6053.50    499.149  6491.43    522.178  104.981 4.3898  108.696 4.4354  -3.715111      6.240467  
1 1 1 -4  91  8  o 55.547  3.5727  1694.84    213.803  1698.29    302.649  1691.40    302.078  55.199  5.1205  55.085  5.1217  0.1136322      7.242360  
1 1 1 -4  91  9  o 50.593  3.9488  1413.74    214.674  1345.75    318.155  1470.57    290.866  48.677  6.1733  51.209  5.3219  -2.531635      8.150606  
1 1 1 -4  91  10 o 29.680  6.0664  511.085    188.429  344.520    292.507  629.237    246.355  25.165  8.7565  32.679  7.1583  -7.513342      11.31002  
1 1 1 -4  91  11 o 15.568  6.5847  24.561     191.386  -210.7839  282.616  223.907    260.104  15.327  7.1125  21.774  8.1614  -6.446683      10.82573  
1 1 1 -4  91  12 o 15.889  6.7986  11.979     208.171  -171.5481  311.391  160.278    279.914  16.668  7.6369  20.795  8.2802  -4.127186      11.26426  
1 1 1 -4  91  13 o 24.143  7.4155  341.472    212.587  277.715    314.666  395.009    288.343  23.775  8.9637  26.086  8.7027  -2.310947      12.49339  
1 1 1 -4  91  14 o 26.459  7.4884  420.237    224.268  265.956    345.081  533.048    295.081  23.955  9.2962  29.496  8.6649  -5.541658      12.70827  
1 1 1 -4  91  15 o 18.364  7.3701  116.363    223.588  273.518    350.625  8.6622     290.261  24.081  9.3635  18.282  7.9266  5.799196       12.26807  
1 1 1 -4  91  16 o 38.476  6.1856  867.367    249.041  623.088    394.106  1029.76    321.328  31.259  10.162  41.345  7.4497  -10.08522      12.60031  
1 1 1 -4  91  17 o 51.825  5.1898  1534.24    287.398  1336.23    443.753  1677.30    377.195  45.876  9.2501  53.343  6.6747  -7.467449      11.40679  
1 1 1 -4  91  18 o 48.301  5.7015  1353.01    292.523  1155.71    502.843  1453.93    359.642  41.049  11.061  49.358  6.9173  -8.309486      13.04557  
1 1 1 -4  91  19 o 31.794  7.8083  630.749    266.934  209.607    428.647  897.521    341.158  23.837  9.9540  37.620  8.5649  -13.78266      13.13159  
1 1 1 -4  92  1  o 55.859  3.7238  1712.49    224.005  1889.20    326.925  1556.11    307.545  58.321  5.2311  52.827  5.4535  5.493511       7.556789  
1 1 1 -4  92  2  o 107.742 3.0484  6325.22    355.733  6473.44    507.348  6181.89    498.924  108.664 4.3107  106.181 4.3383  2.483459       6.115796  
1 1 1 -4  92  3  f 104.661 3.0820  5970.19    349.368  5747.87    496.253  6188.67    491.937  102.331 4.4774  106.246 4.2749  -3.914223      6.190471  
1 1 1 -4  92  4  o 38.422  4.8199  824.409    196.169  832.011    287.270  817.766    268.527  37.934  7.2562  37.725  6.8229  0.2086296      9.960196  
1 1 1 -4  92  5  o 95.233  3.1543  4946.99    325.355  4980.32    482.468  4919.20    440.617  95.144  4.6818  94.675  4.2969  0.4686203      6.354752  
1 1 1 -4  92  6  o 89.750  3.0191  4392.89    293.485  4248.48    411.389  4542.56    418.812  87.942  4.3190  90.955  4.2513  -3.012871      6.060324  
1 1 1 -4  92  7  o 23.340  6.4574  314.798    168.754  322.078    235.815  307.157    241.598  24.062  7.8627  23.728  7.9660  0.3336220      11.19280  
1 1 1 -4  92  8  o 54.334  3.7615  1626.85    219.996  1551.81    321.930  1692.60    301.332  52.453  5.7614  55.031  5.1140  -2.577671      7.703735  
1 1 1 -4  92  9  o 28.582  6.0215  474.487    180.527  560.573    262.388  397.110    248.764  30.656  7.8640  26.103  8.0223  4.553450       11.23388  
1 1 1 -4  92  10 o 28.705  6.8771  487.263    211.004  481.809    325.300  491.224    277.239  28.553  9.2284  28.643  8.3945  -0.8952713E-01 12.47522  
1 1 1 -4  92  11 o 87.974  3.2497  4243.91    309.652  4372.02    446.344  4125.04    429.944  88.597  4.6678  86.071  4.6289  2.525497       6.573878  
1 1 1 -4  92  12 o 29.409  7.0431  515.309    221.379  813.135    332.904  279.190    296.416  36.478  8.5712  23.543  8.7345  12.93433       12.23753  
1 1 1 -4  92  13 o 18.581  7.2464  138.206    210.476  268.348    310.870  28.055     285.998  23.481  8.8958  18.547  7.9534  4.933344       11.93281  
1 1 1 -4  92  14 o 17.768  7.2266  94.389     218.134  -165.2571  338.608  278.585    285.198  17.445  7.9822  23.213  8.5764  -5.767481      11.71619  
1 1 1 -4  92  15 o 46.020  5.4023  1211.93    264.155  1155.78    392.704  1258.33    356.989  43.197  8.6944  45.863  7.4417  -2.665676      11.44429  
1 1 1 -4  92  16 o 62.456  4.3348  2186.94    291.413  2419.63    471.572  2043.19    370.655  64.103  6.9008  59.555  5.8207  4.548527       9.027777  
1 1 1 -4  92  17 o 21.563  8.0333  240.658    251.255  515.741    404.278  67.540     320.715  28.826  10.272  19.762  8.4467  9.063999       13.29872  
1 1 1 -4  92  18 o 13.269  6.3456  -304.8435  257.796  -485.6852  466.767  -225.4679  309.239  17.750  8.5019  15.729  7.3458  2.021116       11.23576  
1 1 1 -4  93  1  f 58.543  3.6534  1880.93    230.495  2050.63    334.028  1726.67    318.466  60.760  5.1235  55.655  5.3490  5.105095       7.406868  
1 1 1 -4  93  2  o 110.959 3.1893  6716.94    383.290  6905.44    540.605  6526.41    543.516  112.114 4.4520  108.939 4.6064  3.175087       6.406139  
1 1 1 -4  93  3  o 21.096  6.7299  245.706    173.430  236.204    249.952  254.528    240.837  22.132  8.0521  22.414  7.9343  -0.2822266     11.30440  
1 1 1 -4  93  4  o 66.009  3.3978  2386.97    242.098  2725.16    353.163  2087.15    332.524  70.197  4.6717  61.278  5.0552  8.918121       6.883315  
1 1 1 -4  93  5  o 49.212  4.1704  1339.41    220.197  1453.52    312.405  1226.76    310.416  50.812  5.7793  46.448  6.3356  4.364044       8.575541  
1 1 1 -4  93  6  o 89.628  3.1328  4387.95    304.124  4219.41    431.680  4554.04    428.530  87.354  4.5785  90.949  4.3503  -3.594513      6.315640  
1 1 1 -4  93  7  o 45.673  4.1291  1156.80    202.055  1029.58    292.631  1272.70    279.331  42.298  6.6032  47.502  5.5328  -5.204353      8.614817  
1 1 1 -4  93  8  o 43.010  4.5982  1034.42    210.885  1316.07    327.978  835.906    275.350  47.891  6.4901  37.831  6.9770  10.06012       9.528881  
1 1 1 -4  93  9  o 46.052  4.0886  1178.52    201.815  1200.56    290.895  1158.07    280.224  45.831  6.0046  45.047  5.8839  0.7837868      8.406879  
1 1 1 -4  93  10 o 33.783  6.4360  666.538    226.895  821.906    362.709  566.651    290.824  36.530  9.1787  30.576  8.4834  5.953892       12.49865  
1 1 1 -4  93  11 o 25.869  7.0417  397.076    202.589  337.322    300.735  446.720    274.119  24.907  8.8610  27.372  8.4227  -2.465143      12.22534  
1 1 1 -4  93  12 o 26.591  7.4092  422.834    221.343  283.625    333.392  532.560    295.989  24.178  9.1998  29.560  8.6767  -5.382532      12.64601  
1 1 1 -4  93  13 o 29.960  7.0048  537.195    223.237  174.255    327.191  853.293    305.348  21.962  8.8799  37.611  7.7533  -15.64949      11.78836  
1 1 1 -4  93  14 o 15.671  6.8264  -11.9605   217.289  -145.5085  342.424  78.065     281.145  17.731  8.0796  19.138  8.0315  -1.407415      11.39231  
1 1 1 -4  93  15 o 30.489  7.3085  565.090    238.210  655.656    376.931  504.866    307.372  32.004  9.8815  28.549  8.9413  3.455318       13.32630  
1 1 1 -4  93  16 o 53.099  5.0476  1604.84    286.806  1675.98    485.821  1566.78    355.333  51.743  8.9953  51.665  6.4934  0.7792664E-01  11.09408  
1 1 1 -4  93  17 o 72.999  4.0624  2977.49    319.922  3130.93    499.135  2870.50    416.792  73.275  6.3520  70.790  5.4786  2.485153       8.388269  
1 1 1 -4  94  1  o 84.415  3.2191  3891.85    294.325  3499.69    439.081  4211.84    396.626  79.379  5.1345  87.563  4.1821  -8.183792      6.622183  
1 1 1 -4  94  2  o 28.304  5.9414  462.214    176.337  361.324    258.564  549.941    241.108  25.355  8.2307  30.602  7.3636  -5.246418      11.04387  
1 1 1 -4  94  3  o 110.616 3.1440  6682.30    376.681  6726.22    528.773  6637.05    536.730  110.530 4.4169  109.754 4.5151  0.7754822      6.316265  
1 1 1 -4  94  4  o 69.813  3.3473  2665.69    253.105  2566.86    368.570  2753.90    348.188  67.909  5.0470  70.516  4.5837  -2.606941      6.817838  
1 1 1 -4  94  5  o 44.163  4.3986  1085.28    207.598  1245.27    303.956  945.399    284.213  46.778  6.1482  40.467  6.7203  6.311195       9.108387  
1 1 1 -4  94  6  o 81.608  3.1938  3643.18    282.305  3493.75    401.342  3789.52    397.170  79.329  4.6919  82.730  4.4488  -3.401245      6.465694  
1 1 1 -4  94  7  o 27.515  6.4440  444.053    188.664  400.283    265.681  488.575    267.956  26.245  8.3251  28.619  8.2143  -2.374092      11.69539  
1 1 1 -4  94  8  o 58.396  4.2213  1892.60    265.191  1494.04    402.494  2198.35    352.528  50.474  7.5980  62.558  5.2514  -12.08407      9.236156  
1 1 1 -4  94  9  o 60.451  3.6520  2016.25    237.989  2031.34    356.117  2004.08    319.920  59.968  5.5456  59.797  4.9850  0.1712646      7.456826  
1 1 1 -4  94  10 o 37.535  6.0270  813.208    236.736  751.881    388.190  849.521    298.712  34.717  9.8613  37.770  7.5657  -3.052235      12.42920  
1 1 1 -4  94  11 o 27.958  6.8376  464.821    205.336  522.156    305.802  417.745    277.095  29.320  8.8715  26.590  8.5092  2.729465       12.29268  
1 1 1 -4  94  12 o 47.210  5.0276  1260.19    253.124  1255.34    399.155  1263.45    327.366  45.503  8.4087  46.547  6.6853  -1.043900      10.74241  
1 1 1 -4  94  13 o 33.848  6.4794  676.099    228.887  455.396    337.361  864.345    311.567  27.651  9.4126  37.731  7.8783  -10.08008      12.27454  
1 1 1 -4  94  14 f 51.771  4.6597  1510.42    258.484  1021.63    398.444  1865.61    339.657  40.180  9.3339  57.128  5.5598  -16.94844      10.86430  
1 1 1 -4  94  15 o 18.891  7.5590  132.184    234.420  -37.1841   386.378  230.844    294.896  20.021  8.8959  22.187  8.5982  -2.165060      12.37205  
1 1 1 -4  94  16 o 27.200  7.8473  455.884    243.978  403.359    385.665  490.930    315.027  26.632  9.9467  28.076  9.0823  -1.443321      13.46936  
1 1 1 -4  94  17 o 27.779  8.0883  479.302    258.131  476.786    421.916  480.807    326.332  28.215  10.430  27.815  9.2572  0.3996086      13.94568  
1 1 1 -4  95  1  o 82.776  3.3541  3749.45    300.709  3644.38    432.498  3847.77    418.386  80.973  4.9553  83.334  4.6539  -2.361397      6.798092  
1 1 1 -4  95  2  o 111.679 3.0979  6815.42    374.718  6733.28    534.441  6894.85    525.534  110.471 4.4667  111.847 4.3382  -1.376152      6.226622  
1 1 1 -4  95  3  o 26.607  6.3379  413.349    180.039  484.984    258.824  346.191    250.603  28.606  8.0267  24.774  8.1060  3.832123       11.40767  
1 1 1 -4  95  4  f 25.065  6.6979  367.858    185.306  102.696    276.496  584.074    249.676  19.762  8.0980  31.392  7.4543  -11.63007      11.00651  
1 1 1 -4  95  5  o 83.575  3.2643  3824.87    295.488  3949.37    436.792  3719.82    401.234  84.257  4.8062  81.880  4.5421  2.376328       6.612885  
1 1 1 -4  95  6  o 100.196 3.1835  5496.32    345.478  5310.62    482.626  5691.47    494.759  97.936  4.5499  101.409 4.5045  -3.472969      6.402482  
1 1 1 -4  95  7  o 37.329  5.0797  789.229    200.045  1009.71    283.114  569.392    282.701  41.796  6.4624  30.723  8.2996  11.07284       10.51883  
1 1 1 -4  95  8  o 44.778  4.9604  1128.80    236.533  1060.74    348.641  1186.84    321.966  42.209  7.9170  45.219  6.7831  -3.010418      10.42540  
1 1 1 -4  95  9  o 59.125  4.1333  1940.32    263.026  1719.63    380.483  2142.32    364.014  54.643  6.5599  61.574  5.5167  -6.930775      8.571219  
1 1 1 -4  95  10 o 86.665  3.4536  4128.07    324.183  4056.43    465.048  4195.79    452.151  85.056  5.0711  86.641  4.8376  -1.585686      7.008427  
1 1 1 -4  95  11 o 16.271  7.0474  -4.2433    228.975  -37.3008   372.122  15.899     290.475  19.929  8.7985  18.486  7.9723  1.443239       11.87307  
1 1 1 -4  95  12 o 33.233  7.1538  661.667    249.876  581.043    429.362  702.959    307.272  30.767  10.614  33.767  8.4281  -3.000021      13.55356  
1 1 1 -4  95  13 o 74.010  3.8139  3037.92    304.685  2572.53    462.678  3394.27    404.865  66.608  6.4959  77.695  4.8351  -11.08671      8.097857  
1 1 1 -4  95  14 o 73.026  3.8126  2961.54    300.508  3314.71    454.669  2687.60    400.442  76.239  5.5441  68.688  5.4268  7.551575       7.758030  
1 1 1 -4  95  15 o 32.309  7.3397  636.526    250.999  805.742    409.829  534.956    317.515  35.022  10.190  29.184  9.0790  5.838432       13.64777  
1 1 1 -4  95  16 o 76.263  3.8840  3238.20    319.757  3155.25    493.104  3298.40    420.042  73.719  6.2342  76.213  5.1183  -2.493233      8.066066  
1 1 1 -4  96  1  o 98.338  3.1394  5290.49    334.374  5593.51    494.106  5034.48    454.166  100.563 4.5364  95.468  4.3923  5.095184       6.314329  
1 1 1 -4  96  2  o 126.075 3.2183  8700.98    439.473  8295.51    618.451  9114.58    624.613  122.384 4.6656  128.388 4.4918  -6.003990      6.476425  
1 1 1 -4  96  3  o 74.632  3.3710  3052.59    272.494  3017.81    389.228  3086.03    381.615  73.565  4.9132  74.463  4.7565  -0.8974686     6.838435  
1 1 1 -4  96  4  o 88.594  3.2919  4300.21    315.881  4032.78    456.868  4545.14    437.227  85.030  4.9825  90.649  4.4532  -5.618561      6.682556  
1 1 1 -4  96  5  o 77.393  3.3440  3283.46    280.313  3449.64    396.252  3117.00    396.595  78.750  4.6665  74.729  4.9275  4.020256       6.786521  
1 1 1 -4  96  6  o 16.667  6.6433  90.708     180.350  146.810    258.875  37.801     251.398  20.096  7.9751  17.810  7.5406  2.286285       10.97553  
1 1 1 -4  96  7  o 93.384  3.1559  4776.44    319.203  4564.37    452.594  4986.32    450.258  90.594  4.6280  94.921  4.3796  -4.326843      6.371720  
1 1 1 -4  96  8  o 101.459 3.2715  5645.48    359.507  5544.09    525.428  5734.72    492.962  99.791  4.8613  101.704 4.4751  -1.912895      6.607503  
1 1 1 -4  96  9  o 28.912  7.2981  500.406    228.560  548.133    334.876  458.783    312.726  30.002  9.3224  27.803  9.0531  2.198429       12.99478  
1 1 1 -4  96  10 o 16.162  6.8787  22.962     211.044  184.300    293.644  -149.4148  303.523  21.505  8.5066  16.640  7.5921  4.864805       11.40188  
1 1 1 -4  96  11 o 20.746  7.7689  207.205    235.579  131.935    382.263  253.298    299.135  22.406  9.3820  22.920  8.7160  -0.5141792     12.80588  
1 1 1 -4  96  12 o 60.938  4.1123  2069.08    269.832  1974.99    408.754  2141.76    359.226  58.278  6.5916  61.360  5.4623  -3.082249      8.560747  
1 1 1 -4  96  13 o 65.873  4.0507  2417.42    287.608  2803.00    444.718  2140.21    377.079  69.871  5.9326  61.096  5.7666  8.774902       8.273365  
1 1 1 -4  96  14 o 88.121  3.5850  4293.24    342.171  4667.62    521.651  4010.52    453.318  90.626  5.3380  84.236  4.9909  6.389870       7.307735  
1 1 1 -4  96  15 o 19.094  7.6874  131.236    244.084  464.507    499.439  26.658     279.771  28.777  11.179  18.154  7.8266  10.62269       13.64657  
1 1 1 -4  97  1  o 50.187  4.0815  1397.10    219.942  1138.29    317.768  1635.11    304.731  44.307  6.8421  53.909  5.2870  -9.602200      8.646792  
1 1 1 -4  97  2  o 51.957  3.9427  1494.48    220.222  1256.70    331.396  1682.52    294.705  46.629  6.7587  54.789  5.0221  -8.159782      8.420314  
1 1 1 -4  97  3  o 72.844  3.2498  2906.65    256.404  2745.75    365.946  3061.81    359.365  70.160  4.8454  74.255  4.4894  -4.094818      6.605454  
1 1 1 -4  97  4  o 36.507  5.1753  756.399    198.910  695.483    295.350  806.962    269.083  33.990  8.1317  37.104  6.9511  -3.114460      10.69776  
1 1 1 -4  97  5  o 22.042  7.0002  275.956    187.804  235.376    277.374  310.306    255.199  22.361  8.4189  23.773  8.1843  -1.412010      11.74135  
1 1 1 -4  97  6  o 30.889  6.2372  557.063    201.480  789.128    301.498  369.803    270.834  36.280  7.8969  25.419  8.4321  10.86100       11.55256  
1 1 1 -4  97  7  o 64.147  3.5362  2268.16    244.740  2092.94    346.771  2442.06    345.461  60.945  5.3063  66.064  4.8622  -5.118645      7.197031  
1 1 1 -4  97  8  o 44.582  4.8672  1119.72    231.204  869.616    325.192  1375.38    328.781  37.929  8.1580  48.839  6.3668  -10.91010      10.34843  
1 1 1 -4  97  9  o 38.024  5.9236  834.828    236.013  983.106    344.053  703.038    324.361  40.328  8.1571  33.769  8.7847  6.558353       11.98791  
1 1 1 -4  97  10 o 56.084  4.2208  1753.86    254.511  1611.64    356.640  1901.46    363.318  52.797  6.3650  57.643  5.9025  -4.846336      8.680591  
1 1 1 -4  97  11 o 45.582  5.3286  1184.52    258.111  1004.35    394.223  1319.70    341.480  40.009  9.2776  47.416  6.8477  -7.406742      11.53104  
1 1 1 -4  97  12 o 31.549  7.3926  603.535    248.199  465.063    424.000  675.720    306.130  28.391  10.463  32.968  8.5138  -4.577147      13.48937  
1 1 1 -4  97  13 o 61.980  4.4690  2156.34    297.996  2355.89    513.558  2055.05    365.894  62.718  7.7232  59.839  5.7149  2.878788       9.607751  
1 1 1 -4  97  14 o 89.737  3.6366  4453.90    353.455  4464.41    546.068  4446.33    463.694  88.325  5.7393  88.835  4.8375  -0.5100327     7.505998  
1 1 1 -4  98  1  o 72.906  3.4387  2916.26    271.539  2584.75    400.836  3197.43    369.146  67.754  5.5098  75.862  4.5130  -8.107864      7.122207  
1 1 1 -4  98  2  f 72.058  3.3655  2847.44    262.665  2757.20    371.092  2938.05    371.838  70.259  4.9074  72.603  4.7548  -2.344414      6.833037  
1 1 1 -4  98  3  o 25.044  6.8719  369.411    192.037  525.950    271.830  213.443    271.334  29.572  8.2006  21.766  8.2953  7.806255       11.66458  
1 1 1 -4  98  4  o 20.622  6.9848  230.894    185.764  15.630     277.177  406.429    250.295  18.193  7.8163  26.262  8.0430  -8.069132      11.21538  
1 1 1 -4  98  5  o 26.038  7.3405  402.021    215.936  593.926    341.331  273.968    278.823  31.183  9.3587  23.202  8.4948  7.980368       12.63911  
1 1 1 -4  98  6  o 42.438  4.5470  1010.10    205.747  1129.41    291.501  891.650    290.441  44.262  6.2547  38.878  7.1612  5.384113       9.508068  
1 1 1 -4  98  7  o 17.307  6.9688  93.338     200.616  175.437    286.431  14.281     281.073  21.220  8.3991  18.232  7.8526  2.987978       11.49821  
1 1 1 -4  98  8  o 79.387  3.5327  3467.96    303.757  3547.98    441.797  3396.22    418.319  79.436  5.1630  77.806  4.9902  1.629715       7.180421  
1 1 1 -4  98  9  f 103.567 3.3600  5897.34    376.911  5719.57    543.189  6062.40    523.425  101.103 4.9604  104.303 4.6333  -3.200020      6.787671  
1 1 1 -4  98  10 o 20.686  7.8238  201.588    240.203  340.315    338.093  60.195     341.326  25.239  9.3353  20.411  8.7189  4.828077       12.77368  
1 1 1 -4  98  11 o 82.685  3.6273  3774.28    324.846  3975.91    479.120  3602.73    441.933  83.816  5.3051  79.880  5.1352  3.936028       7.383350  
1 1 1 -4  98  12 f 66.386  4.1337  2458.66    295.754  2734.62    483.049  2293.18    374.063  68.536  6.5885  63.394  5.5024  5.141670       8.584025  
1 1 1 -4  98  13 o 37.942  6.7434  854.821    266.963  769.209    483.819  892.297    320.105  34.135  11.268  38.147  8.0028  -4.012211      13.82035  
1 1 1 -4  98  14 o 56.427  4.8953  1802.22    296.220  1510.03    518.090  1944.12    361.057  48.299  10.222  58.121  5.8135  -9.822544      11.75993  
1 1 1 -4  99  1  o 31.207  6.1278  567.323    199.732  400.931    290.275  716.936    275.250  26.344  8.7291  34.665  7.5453  -8.320366      11.53813  
1 1 1 -4  99  2  o 18.019  6.9271  134.404    190.225  404.854    274.317  -116.1161  264.016  26.322  8.4710  15.831  7.1670  10.49066       11.09614  
1 1 1 -4  99  3  o 24.152  7.0215  342.395    194.664  208.133    272.338  482.653    278.353  21.633  8.2950  28.360  8.4378  -6.726826      11.83228  
1 1 1 -4  99  4  o 26.413  6.8522  413.432    197.700  638.199    308.479  256.762    257.545  32.336  8.6423  22.444  8.1723  9.891382       11.89434  
1 1 1 -4  99  5  o 19.452  6.9742  191.554    186.641  289.354    275.822  108.951    253.490  23.471  8.4708  19.135  7.7872  4.336124       11.50632  
1 1 1 -4  99  6  o 25.972  6.7067  399.947    189.971  386.244    270.165  413.349    267.180  25.747  8.4160  26.432  8.3447  -0.6854458     11.85174  
1 1 1 -4  99  7  o 20.156  7.5248  193.438    220.677  249.462    331.539  148.874    295.696  23.469  9.1108  20.872  8.4408  2.596485       12.41988  
1 1 1 -4  99  8  o 24.151  7.4627  343.059    214.935  508.879    305.739  181.035    302.219  28.894  8.8960  21.580  8.6002  7.314529       12.37340  
1 1 1 -4  99  9  o 50.486  4.6931  1433.89    253.693  1499.99    371.557  1376.16    347.228  50.563  6.9698  48.489  6.7984  2.074703       9.736367  
1 1 1 -4  99  10 o 106.533 3.5304  6257.63    407.354  6008.12    588.496  6487.14    564.429  103.135 5.2860  107.628 4.8419  -4.492790      7.168386  
1 1 1 -4  99  11 o 107.798 3.4456  6406.79    402.299  6396.15    584.468  6416.36    554.582  106.618 5.0613  107.000 4.7853  -0.3814774     6.965318  
1 1 1 -4  99  12 o 44.444  5.7525  1139.56    270.411  1476.07    450.079  949.465    338.271  48.847  8.8322  39.306  8.2105  9.540550       12.05903  
1 1 1 -4  99  13 o 68.520  2.9515  2577.32    219.047  2900.85    499.781  2500.40    243.701  70.560  6.6169  67.362  3.3402  3.197487       7.412166  
1 1 1 -4  100 1  o 40.160  4.6961  907.729    200.408  914.625    303.835  902.419    266.635  39.279  7.4135  39.399  6.4731  -0.1199608     9.841782  
1 1 1 -4  100 2  o 13.701  6.2059  -94.6474   198.249  -327.5076  300.492  84.828     263.808  14.704  6.9808  18.960  7.8539  -4.255443      10.50784  
1 1 1 -4  100 3  f 21.542  6.9930  262.008    186.648  211.047    279.783  302.876    250.549  21.808  8.3964  23.448  8.1072  -1.640490      11.67162  
1 1 1 -4  100 4  o 14.953  6.4379  0.4551     188.786  -147.1916  272.647  136.439    261.658  15.688  7.1723  19.865  7.9728  -4.176881      10.72412  
1 1 1 -4  100 5  o 15.553  6.5228  36.972     185.250  96.343     274.726  -12.5316   250.862  19.418  8.0268  16.860  7.3395  2.558041       10.87647  
1 1 1 -4  100 6  o 65.673  3.8241  2388.09    270.836  2660.45    393.609  2143.19    373.243  68.635  5.3368  61.395  5.6772  7.239990       7.791748  
1 1 1 -4  100 7  o 97.180  3.2787  5188.61    345.100  4960.93    500.012  5395.73    476.900  94.066  4.9248  98.497  4.4703  -4.430466      6.651107  
1 1 1 -4  100 8  o 78.768  3.4792  3416.77    296.823  3319.49    421.624  3512.35    417.943  76.759  5.1004  79.081  4.9037  -2.321136      7.075318  
1 1 1 -4  100 9  o 61.466  4.2175  2107.60    279.076  2130.13    422.062  2090.10    372.007  60.591  6.5348  60.464  5.7497  0.1263046      8.704121  
1 1 1 -4  100 10 o 32.883  7.4623  655.577    259.688  503.863    369.352  803.891    365.190  28.800  9.8486  35.616  9.3485  -6.815636      13.57899  
1 1 1 -4  100 11 o 16.834  7.2296  18.456     236.947  -442.0125  357.853  377.940    316.188  15.390  7.3907  25.693  9.0916  -10.30362      11.71663  
1 1 1 -4  100 12 o 40.073  6.5077  944.744    272.767  884.212    447.341  980.569    344.146  36.681  10.638  39.960  8.2256  -3.279221      13.44749  
1 1 1 -4  101 1  o 57.675  3.8024  1841.88    236.195  1875.62    341.063  1810.79    327.414  57.508  5.5443  56.557  5.4110  0.9511490      7.747133  
1 1 1 -4  101 2  o 71.209  3.4659  2787.97    267.317  2505.40    402.214  3011.54    357.765  66.478  5.6393  73.498  4.5161  -7.019821      7.224719  
1 1 1 -4  101 3  o 38.189  5.4623  834.492    219.501  805.125    330.278  857.725    293.763  36.249  8.5508  37.937  7.4152  -1.688129      11.31816  
1 1 1 -4  101 4  o 33.400  5.7678  645.851    201.113  517.976    300.226  749.940    270.868  29.165  8.7825  35.450  7.2979  -6.284163      11.41890  
1 1 1 -4  101 5  o 49.370  4.4164  1364.04    233.663  2053.64    371.352  912.070    300.638  60.021  5.7839  39.133  7.3633  20.88873       9.363304  
1 1 1 -4  101 6  o 48.484  4.5149  1318.58    234.363  1290.94    329.067  1347.04    333.863  47.055  6.6413  48.112  6.5792  -1.057430      9.348422  
1 1 1 -4  101 7  o 37.823  5.3248  819.011    212.098  569.514    301.207  1064.39    298.712  30.381  8.7059  42.605  6.6939  -12.22377      10.98183  
1 1 1 -4  101 8  o 16.281  7.0413  1.6935     227.886  112.832    324.786  -106.0798  319.831  20.809  8.6748  17.573  7.9279  3.236017       11.75179  
1 1 1 -4  101 9  o 23.515  7.8966  317.402    237.406  253.186    335.327  381.936    336.159  23.452  9.1464  26.020  9.3564  -2.567604      13.08428  
1 1 1 -4  101 10 o 26.999  8.1095  442.649    256.216  293.247    366.548  585.386    358.280  24.656  9.5775  30.580  9.6642  -5.923933      13.60602  
1 1 1 -4  102 1  o 83.221  3.2676  3803.29    294.531  3894.53    441.870  3730.35    395.102  83.357  4.9160  81.813  4.4758  1.544434       6.648262  
1 1 1 -4  102 2  o 21.363  7.3511  249.343    205.874  266.416    314.595  236.555    272.270  23.497  8.9377  22.141  8.3401  1.356432       12.22455  
1 1 1 -4  102 3  o 74.064  3.3467  3015.00    268.467  3193.56    392.395  2857.86    368.107  75.490  4.8243  71.416  4.7866  4.074738       6.796036  
1 1 1 -4  102 4  o 14.477  6.3015  -15.2196   184.867  -153.4044  278.817  93.188     246.956  15.778  7.2280  18.580  7.6379  -2.802341      10.51578  
1 1 1 -4  102 5  o 36.604  5.8250  775.215    223.196  793.369    320.773  758.176    310.758  35.949  8.3912  35.170  8.2929  0.7788277      11.79766  
1 1 1 -4  102 6  o 72.329  3.4700  2881.20    271.844  2886.17    392.980  2876.64    376.445  71.540  5.1052  71.539  4.8876  0.1159668E-02  7.067646  
1 1 1 -4  102 7  o 60.217  4.0445  2017.97    262.255  2235.28    410.885  1868.59    340.673  62.320  6.1683  57.254  5.5639  5.065853       8.306911  
1 1 1 -4  102 8  o 77.950  3.5794  3351.03    302.202  3251.77    442.000  3438.16    414.117  75.737  5.4241  78.197  4.9145  -2.459785      7.319340  
1 1 1 -4  102 9  o 89.514  3.4543  4414.80    334.901  4324.08    464.412  4513.10    483.402  87.706  4.9085  89.544  5.0043  -1.837509      7.009760  
1 1 1 -4  103 1  o 45.362  4.7026  1158.87    227.690  1126.31    316.102  1193.99    328.246  43.787  6.8931  45.082  6.9455  -1.294838      9.785402  
1 1 1 -4  103 2  o 66.440  3.5258  2437.61    252.816  2344.01    372.770  2517.33    344.028  64.322  5.4007  66.991  4.7726  -2.669426      7.207324  
1 1 1 -4  103 3  o 53.201  3.9731  1574.28    227.289  1549.93    336.238  1594.77    308.429  51.883  6.0999  52.944  5.4568  -1.061234      8.184503  
1 1 1 -4  103 4  o 92.021  3.4098  4660.00    339.845  4492.19    483.075  4824.43    478.190  89.404  5.0089  92.814  4.7730  -3.410095      6.918835  
1 1 1 -4  103 5  o 39.582  5.1707  893.143    216.380  1008.08    318.543  794.672    294.846  41.088  7.4314  36.239  7.7466  4.848530       10.73479  
1 1 1 -4  103 6  o 31.082  7.1112  579.737    234.215  843.829    409.079  450.951    285.671  36.322  10.056  27.341  8.6283  8.980303       13.25005  
1 1 1 -4  103 7  o 30.747  6.8166  564.246    221.053  391.028    341.324  689.385    290.114  26.312  9.4315  33.553  8.0796  -7.240828      12.41912  
1 1 1 -4  103 8  o 39.545  5.7378  902.223    238.581  865.556    326.643  944.154    349.305  37.583  8.2505  39.176  8.4782  -1.593254      11.83005  
1 1 1 -4  104 1  o 29.650  6.1624  517.062    191.443  600.390    287.564  450.732    256.562  31.276  8.3372  27.316  8.0948  3.960318       11.62042  
1 1 1 -4  104 2  o 71.847  3.4097  2839.88    265.337  3043.38    390.366  2665.11    361.752  73.607  4.9249  68.884  4.8803  4.722885       6.933357  
1 1 1 -4  104 3  o 42.440  5.1938  1024.63    233.758  1123.13    355.083  949.283    310.544  43.219  7.8757  39.851  7.4691  3.367992       10.85421  
1 1 1 -4  104 4  o 53.107  4.4355  1578.68    252.793  1658.49    372.663  1510.66    344.055  53.442  6.5770  51.088  6.3552  2.353695       9.145779  
1 1 1 -4  104 5  o 56.830  3.9937  1795.97    244.260  1616.46    360.085  1948.98    332.440  52.818  6.4268  58.650  5.2903  -5.831474      8.324142  
1 1 1 -4  104 6  o 52.493  4.3544  1541.43    245.333  1817.85    373.716  1332.08    325.224  56.134  6.2531  47.877  6.4345  8.256165       8.972400  
1 1 1 -4  105 1  o 51.639  4.2421  1488.72    235.165  1456.41    348.490  1515.74    318.657  50.046  6.5894  51.446  5.8211  -1.400978      8.792356  
1 1 1 -4  105 2  o 88.116  3.3778  4270.39    322.373  4086.31    471.034  4432.58    442.143  85.210  5.1276  89.085  4.5981  -3.874336      6.887287  
1 1 1 -4  105 3  o 69.892  3.9667  2710.40    299.045  3151.92    470.808  2411.80    387.179  74.345  5.8952  65.178  5.5370  9.167198       8.087709  
1 1 1 -3  0   1  o 192.364 5.2594  20089.23   1093.94  20089.23   1093.94  20089.23   1093.94  192.364 5.2594  192.364 5.2594  0.000000       0.000000  
1 1 1 -3  0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  0   4  o 315.022 7.7985  53872.00   2657.16  53872.00   2657.16  53872.00   2657.16  315.022 7.7985  315.022 7.7985  0.000000       0.000000  
1 1 1 -3  0   5  o 148.351 4.4608  11953.42   715.294  11953.42   715.294  11953.42   715.294  148.351 4.4608  148.351 4.4608  -0.000000      0.000000  
1 1 1 -3  0   6  o 268.974 6.7970  39279.93   1977.28  39279.93   1977.28  39279.93   1977.28  268.974 6.7970  268.974 6.7970  0.000000       0.000000  
1 1 1 -3  0   7  o 419.114 10.034  95458.43   4548.83  95458.43   4548.83  95458.43   4548.83  419.114 10.034  419.114 10.034  0.000000       0.000000  
1 1 1 -3  0   8  o 417.821 10.017  94862.52   4527.28  94862.52   4527.28  94862.52   4527.28  417.821 10.017  417.821 10.017  0.000000       0.000000  
1 1 1 -3  0   9  o 329.976 8.1090  59120.63   2894.20  59120.63   2894.20  59120.63   2894.20  329.976 8.1090  329.976 8.1090  -0.000000      0.000000  
1 1 1 -3  0   10 o 163.177 4.7098  14458.50   830.825  14458.50   830.825  14458.50   830.825  163.177 4.7098  163.177 4.7098  0.000000       0.000000  
1 1 1 -3  0   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  0   12 o 260.019 7.6562  36727.04   2151.96  36727.04   2151.96  36727.04   2151.96  260.019 7.6562  260.019 7.6562  0.000000       0.000000  
1 1 1 -3  0   13 o 402.661 13.774  88264.50   5991.02  88264.50   5991.02  88264.50   5991.02  402.661 13.774  402.661 13.774  0.000000       0.000000  
1 1 1 -3  0   14 o 1042.01 34.606  597393.31  38958.32 597393.31  38958.32 597393.31  38958.32 1042.01 34.606  1042.01 34.606  0.000000       0.000000  
1 1 1 -3  0   15 o 283.892 7.1751  43760.46   2203.04  43760.46   2203.04  43760.46   2203.04  283.892 7.1751  283.892 7.1751  0.000000       0.000000  
1 1 1 -3  0   16 o 56.710  2.6758  1753.44    163.520  1753.44    163.520  1753.44    163.520  56.710  2.6758  56.710  2.6758  0.000000       0.000000  
1 1 1 -3  0   17 o 139.331 4.5027  10550.90   677.893  10550.90   677.893  10550.90   677.893  139.331 4.5027  139.331 4.5027  0.000000       0.000000  
1 1 1 -3  0   18 o 142.013 4.5277  10961.51   694.821  10961.51   694.821  10961.51   694.821  142.013 4.5277  142.013 4.5277  0.000000       0.000000  
1 1 1 -3  0   19 o 254.067 7.6294  35120.45   2095.17  35120.45   2095.17  35120.45   2095.17  254.067 7.6294  254.067 7.6294  -0.000000      0.000000  
1 1 1 -3  0   20 o 106.302 4.1597  6151.84    477.267  6151.84    477.267  6151.84    477.267  106.302 4.1597  106.302 4.1597  -0.000000      0.000000  
1 1 1 -3  0   21 f 41.697  6.0121  999.878    255.115  999.878    255.115  999.878    255.115  41.697  6.0121  41.697  6.0121  0.000000       0.000000  
1 1 1 -3  0   22 o 345.538 8.4953  65015.59   3175.04  65015.59   3175.04  65015.59   3175.04  345.538 8.4953  345.538 8.4953  0.000000       0.000000  
1 1 1 -3  0   23 o 2.1248  1.5566  -59.8259   22.975   -59.8259   22.975   -59.8259   22.975   2.1248  1.5566  2.1248  1.5566  -0.000000      0.000000  
1 1 1 -3  0   24 o 84.142  3.5832  3858.70    325.201  3858.70    325.201  3858.70    325.201  84.142  3.5832  84.142  3.5832  0.000000       0.000000  
1 1 1 -3  0   25 o 15.445  8.8060  168.184    230.746  168.184    230.746  168.184    230.746  15.445  8.8060  15.445  8.8060  -0.000000      0.000000  
1 1 1 -3  0   26 o 8.3332  5.8394  -207.8390  198.678  -207.8390  198.678  -207.8390  198.678  8.3332  5.8394  8.3332  5.8394  0.000000       0.000000  
1 1 1 -3  0   27 o 31.019  8.7170  636.662    253.513  636.662    253.513  636.662    253.513  31.019  8.7170  31.019  8.7170  -0.000000      0.000000  
1 1 1 -3  0   28 o 23.224  1.4071  295.454    35.098   295.454    35.098   295.454    35.098   23.224  1.4071  23.224  1.4071  0.000000       0.000000  
1 1 1 -3  0   29 o 113.860 4.3973  7100.81    540.451  7100.81    540.451  7100.81    540.451  113.860 4.3973  113.860 4.3973  0.000000       0.000000  
1 1 1 -3  0   30 o 35.238  2.1410  681.221    81.022   681.221    81.022   681.221    81.022   35.238  2.1410  35.238  2.1410  -0.000000      0.000000  
1 1 1 -3  0   31 o 26.168  10.594  538.554    293.691  538.554    293.691  538.554    293.691  26.168  10.594  26.168  10.594  0.000000       0.000000  
1 1 1 -3  0   32 o 16.910  9.7337  219.292    285.857  219.292    285.857  219.292    285.857  16.910  9.7337  16.910  9.7337  0.000000       0.000000  
1 1 1 -3  0   33 o 6.9224  5.0897  -725.4800  262.999  -725.4800  262.999  -725.4800  262.999  6.9224  5.0897  6.9224  5.0897  -0.000000      0.000000  
1 1 1 -3  0   34 o 31.282  10.515  743.195    318.212  743.195    318.212  743.195    318.212  31.282  10.515  31.282  10.515  -0.000000      0.000000  
1 1 1 -3  0   35 o 15.221  9.8574  92.009     383.955  92.009     383.955  92.009     383.955  15.221  9.8574  15.221  9.8574  0.000000       0.000000  
1 1 1 -3  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   2  o 278.264 4.9338  41950.68   1487.00  41678.21   2102.91  42223.16   2102.97  277.300 7.0017  279.108 6.9565  -1.808502      9.869947  
1 1 1 -3  1   3  o 223.866 4.1448  27148.40   1004.99  27743.73   1160.53  25363.21   2009.65  226.296 4.7349  216.274 8.5792  10.02232       9.799051  
1 1 1 -3  1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   5  o 517.228 17.335  145831.41  9711.24  0.0000     0.0000   145831.41  9711.24  ?       ?       517.228 17.335  0.000000       17.33494  
1 1 1 -3  1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   8  o 147.082 3.1466  11719.34   501.271  11866.27   708.382  11571.97   709.428  147.977 4.4198  146.130 4.4823  1.847870       6.294882  
1 1 1 -3  1   9  o 168.441 3.4028  15369.55   620.803  14955.54   877.005  15785.34   878.893  166.133 4.8739  170.682 4.7542  -4.549103      6.808632  
1 1 1 -3  1   10 o 339.789 6.7641  62576.15   2489.38  63848.88   3048.94  60031.09   4311.50  343.163 8.2031  332.524 11.971  10.63922       14.51202  
1 1 1 -3  1   11 o 411.281 6.9482  91673.63   3095.13  94230.77   4377.26  89116.68   4377.09  416.829 9.6956  405.343 9.9699  11.48593       13.90699  
1 1 1 -3  1   12 o 666.550 10.998  241087.80  7939.75  239628.20  11228.48 242547.41  11228.52 663.854 15.616  667.902 15.522  -4.047485      22.01799  
1 1 1 -3  1   13 o 906.926 30.131  452847.69  29597.75 0.0000     0.0000   452847.69  29597.75 ?       ?       906.926 30.131  0.000000       30.13120  
1 1 1 -3  1   14 o 711.030 16.620  275397.91  12799.50 266688.00  18101.04 284108.19  18101.42 697.503 23.960  720.192 23.206  -22.68951      33.35544  
1 1 1 -3  1   15 o 253.656 4.8089  34866.14   1321.18  32574.73   2015.53  36592.50   1749.45  245.064 7.5934  259.805 6.2170  -14.74103      9.813873  
1 1 1 -3  1   16 o 323.666 6.0780  56806.74   2130.72  57214.86   3280.18  56508.84   2802.49  324.540 9.3316  322.661 8.0191  1.879486       12.30389  
1 1 1 -3  1   17 o 299.656 5.6271  48698.51   1826.34  47494.41   2805.62  49583.93   2405.88  295.623 8.7624  302.213 7.3500  -6.590118      11.43687  
1 1 1 -3  1   18 o 233.722 4.5888  29618.60   1161.63  28981.96   1541.33  30455.65   1767.34  231.085 6.1582  236.823 6.8901  -5.737656      9.241050  
1 1 1 -3  1   19 o 388.887 6.6421  82146.23   2797.70  82237.32   3956.53  82055.14   3956.56  388.520 9.4022  388.087 9.4128  0.4331360      13.30422  
1 1 1 -3  1   20 o 209.077 4.2404  23706.93   960.250  24069.05   1281.35  23243.02   1450.29  210.555 5.6186  206.825 6.4741  3.729416       8.572238  
1 1 1 -3  1   21 o 218.371 4.3819  25868.92   1036.41  24769.10   1570.56  26717.28   1379.38  213.421 6.7944  221.786 5.7422  -8.365234      8.895869  
1 1 1 -3  1   22 o 76.323  2.6358  3156.89    217.889  3201.25    358.898  3130.99    274.204  76.689  4.3387  75.993  3.3314  0.6956253      5.470130  
1 1 1 -3  1   23 o 125.532 3.1396  8544.27    426.879  8152.79    602.373  8939.21    605.031  122.541 4.5385  128.328 4.3530  -5.787102      6.288589  
1 1 1 -3  1   24 o 38.666  2.3355  813.294    97.350   749.717    103.953  1266.57    277.567  37.097  2.6037  47.947  5.4412  -10.85005      6.032097  
1 1 1 -3  1   25 o 104.793 2.8228  5957.11    320.393  5638.44    454.646  6271.49    451.578  101.854 4.1212  107.442 3.8805  -5.587646      5.660640  
1 1 1 -3  1   26 o 10.889  2.6188  66.940     30.509   64.877     30.797   175.769    223.677  10.723  2.6636  20.352  7.5801  -9.628579      8.034491  
1 1 1 -3  1   27 o 66.604  3.2335  2413.34    233.261  2524.46    330.022  2302.43    329.740  67.826  4.5182  64.718  4.7370  3.108009       6.546258  
1 1 1 -3  1   28 o 61.584  1.9998  2058.54    133.391  2127.05    187.539  1988.40    189.768  62.535  2.7688  60.450  2.8984  2.085163       4.008382  
1 1 1 -3  1   29 o 79.951  3.3125  3489.15    286.848  3315.56    405.897  3662.33    405.432  77.441  4.8639  81.487  4.6126  -4.045685      6.703247  
1 1 1 -3  1   30 o 68.377  2.2344  2543.22    165.479  2735.33    233.839  2350.50    234.207  70.778  3.0504  65.481  3.3131  5.296898       4.503462  
1 1 1 -3  1   31 o 44.182  4.6975  1094.83    221.346  1000.62    312.104  1190.18    313.966  41.267  7.2472  45.378  6.5800  -4.111057      9.788735  
1 1 1 -3  1   32 o 37.995  2.2789  790.306    93.352   1310.35    311.735  739.076    97.842   47.586  6.1953  36.703  2.4757  10.88296       6.671639  
1 1 1 -3  1   33 o 52.360  4.2840  1541.50    240.824  1558.28    342.201  1525.05    338.973  51.610  6.2491  51.043  6.2628  0.5674706      8.847292  
1 1 1 -3  1   34 o 3.5718  1.7893  -83.5609   29.514   41.491     292.647  -84.8459   29.665   18.172  7.9188  3.5672  1.7880  14.60532       8.118138  
1 1 1 -3  1   35 o 50.086  6.1151  1540.24    324.847  1518.92    458.726  1561.69    460.082  46.168  9.4907  46.980  9.3704  -0.8111610     13.33706  
1 1 1 -3  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  2   1  o 128.386 2.8899  8927.67    401.860  9030.63    568.291  8824.69    568.341  129.115 4.0637  127.634 4.1112  1.481171       5.780670  
1 1 1 -3  2   2  o 203.808 3.8644  22500.56   853.055  22884.29   1206.39  22116.82   1206.42  205.512 5.4197  202.035 5.5132  3.477295       7.731005  
1 1 1 -3  2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  2   5  o 213.440 3.9724  24679.79   918.318  24567.49   1836.60  24717.22   1060.39  212.842 7.9669  213.589 4.5837  -0.7475128     9.191385  
1 1 1 -3  2   6  o 487.573 11.563  129229.80  6106.21  129444.70  8635.57  129014.90  8635.39  487.056 16.370  486.241 16.397  0.8152466      23.16950  
1 1 1 -3  2   7  o 363.666 6.2301  71720.03   2453.98  72975.34   3470.44  70464.70   3470.45  366.592 8.7404  360.213 8.8952  6.378601       12.47074  
1 1 1 -3  2   8  o 276.794 6.9624  41557.59   2087.29  41097.70   2951.47  42017.75   2952.29  275.031 9.9080  278.103 9.8013  -3.071167      13.93678  
1 1 1 -3  2   9  o 425.203 10.170  98156.59   4683.57  98156.59   4683.57  0.0000     0.0000   425.203 10.170  ?       ?       0.000000       10.16976  
1 1 1 -3  2   10 o 198.197 4.4058  21280.45   945.774  21906.04   1157.81  20025.87   1639.61  201.073 5.3163  192.194 7.8764  8.879150       9.502727  
1 1 1 -3  2   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  2   12 o 461.048 8.9422  115267.80  4465.42  116874.70  5469.09  112054.30  7734.08  464.103 10.880  453.946 15.730  10.15637       19.12628  
1 1 1 -3  2   13 o 623.698 14.622  211490.00  9877.37  219961.80  13968.74 203018.20  13968.69 634.914 20.313  609.777 21.150  25.13660       29.32482  
1 1 1 -3  2   14 o 202.846 6.2318  22301.47   1369.15  21940.29   2275.19  22506.51   1714.30  200.772 10.499  203.730 7.7689  -2.958313      13.06100  
1 1 1 -3  2   15 o 427.743 7.7903  99249.11   3609.17  98975.40   5586.77  99445.16   4728.25  426.655 12.090  427.912 10.202  -1.256683      15.81883  
1 1 1 -3  2   16 o 519.220 8.6633  146383.91  4871.96  142228.91  6889.48  150540.20  6890.50  511.079 12.446  525.879 12.097  -14.79984      17.35657  
1 1 1 -3  2   17 o 346.956 5.9943  65299.02   2252.60  64681.48   3184.98  65917.09   3186.34  345.021 8.5230  348.312 8.4461  -3.290283      11.99904  
1 1 1 -3  2   18 o 97.630  2.8494  5164.31    301.308  5120.31    424.978  5208.77    427.259  97.191  4.0371  98.027  4.0242  -0.8362198     5.700188  
1 1 1 -3  2   19 o 276.799 4.9427  41561.38   1481.84  40904.39   2095.65  42218.34   2095.62  274.366 7.0521  278.753 6.9410  -4.386505      9.894928  
1 1 1 -3  2   20 o 228.960 4.2805  28431.12   1061.50  28802.03   1502.00  28061.02   1500.38  230.285 6.0219  227.295 6.0945  2.989639       8.567772  
1 1 1 -3  2   21 o 130.370 3.1347  9212.56    442.631  9197.32    626.810  9227.71    625.142  130.204 4.4447  130.420 4.4255  -0.2159424     6.272187  
1 1 1 -3  2   22 o 77.904  2.5604  3288.93    216.046  3370.39    273.402  3153.49    352.537  78.848  3.2014  76.116  4.2937  2.731804       5.355836  
1 1 1 -3  2   23 o 242.866 4.4937  32022.42   1182.07  31903.51   1670.86  32141.57   1672.53  242.110 6.3717  243.015 6.3543  -0.9049683     8.998699  
1 1 1 -3  2   24 o 102.313 3.0039  5676.96    332.880  5976.39    468.487  5371.63    473.073  104.912 4.1229  99.445  4.3921  5.467377       6.024042  
1 1 1 -3  2   25 o 104.590 3.0155  5935.52    341.602  6059.81    481.038  5809.07    485.186  105.583 4.2064  103.364 4.3338  2.219330       6.039549  
1 1 1 -3  2   26 o 106.239 2.8557  6127.55    328.602  6291.58    458.747  5954.70    470.920  107.531 3.9389  104.584 4.1573  2.946556       5.726943  
1 1 1 -3  2   27 o 43.238  4.2350  1029.95    195.787  1212.08    271.264  831.905    282.869  46.698  5.4666  38.197  7.0986  8.501114       8.959551  
1 1 1 -3  2   28 o 30.643  1.5631  510.552    51.707   511.413    52.594   485.691    282.698  30.667  1.5889  29.037  8.4673  1.630100       8.615033  
1 1 1 -3  2   29 f 69.010  3.5084  2608.57    261.371  2522.84    369.345  2694.58    369.925  67.442  5.0939  69.763  4.9274  -2.321243      7.087089  
1 1 1 -3  2   30 o 38.824  1.1408  817.241    47.971   872.150    67.847   762.351    67.836   40.087  1.5626  37.473  1.6714  2.614090       2.288085  
1 1 1 -3  2   31 o 59.998  3.8156  1989.32    246.664  2006.35    347.942  1972.11    349.735  59.646  5.4459  59.096  5.5283  0.5505867      7.760155  
1 1 1 -3  2   32 o 28.915  2.2281  458.597    69.242   703.447    299.339  444.755    71.172   33.839  8.2434  28.456  2.3297  5.383020       8.566246  
1 1 1 -3  2   33 o 27.010  1.7625  398.902    51.278   405.145    52.061   195.882    296.887  27.220  1.7756  21.437  8.5301  5.782429       8.712934  
1 1 1 -3  2   34 o 30.424  1.6506  506.257    54.188   514.878    306.593  505.979    55.055   27.721  8.9591  30.411  1.6780  -2.690018      9.114866  
1 1 1 -3  2   35 o 28.982  10.348  642.953    410.484  642.953    410.484  0.0000     0.0000   28.982  10.348  ?       ?       0.000000       10.34786  
1 1 1 -3  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   6  o 271.073 4.8291  39820.35   1417.81  41943.41   2835.54  39112.61   1637.17  277.944 9.4191  268.621 5.6271  9.323029       10.97191  
1 1 1 -3  3   7  o 514.623 12.142  144173.91  6767.58  135574.20  9570.48  152774.80  9571.13  497.565 17.759  528.518 16.720  -30.95386      24.39119  
1 1 1 -3  3   8  o 48.531  1.9029  1275.67    100.027  1320.16    179.068  1255.48    120.597  49.248  3.3774  48.145  2.3127  1.103912       4.093358  
1 1 1 -3  3   9  o 145.157 3.1195  11413.49   490.448  11163.99   692.484  11664.59   694.718  143.544 4.4540  146.729 4.3714  -3.184311      6.240808  
1 1 1 -3  3   10 o 425.128 7.1724  97964.04   3302.57  95822.20   4670.22  100106.50  4670.86  420.260 10.260  429.569 10.039  -9.308899      14.35450  
1 1 1 -3  3   11 o 477.220 7.9867  123454.70  4128.17  122547.80  5837.89  124361.80  5838.32  475.224 11.342  478.735 11.260  -3.511383      15.98182  
1 1 1 -3  3   12 o 298.563 5.9604  48302.33   1927.44  47825.06   2725.17  48780.05   2726.45  296.995 8.4718  299.949 8.3923  -2.953949      11.92483  
1 1 1 -3  3   13 o 201.239 5.4529  21943.36   1188.52  24512.46   1682.30  19383.28   1679.35  212.648 7.3042  189.071 8.2006  23.57648       10.98186  
1 1 1 -3  3   14 o 198.244 6.0845  21300.15   1306.45  20664.31   2159.95  21666.97   1640.57  194.850 10.271  199.900 7.5773  -5.049408      12.76346  
1 1 1 -3  3   15 o 217.088 4.3156  25534.87   1014.72  25177.84   1536.11  25811.28   1351.60  215.492 6.5814  218.217 5.7186  -2.725662      8.718826  
1 1 1 -3  3   16 o 211.805 4.0248  24308.71   923.307  24077.31   1304.43  24541.04   1307.08  210.733 5.7150  212.754 5.6722  -2.021530      8.052059  
1 1 1 -3  3   17 o 277.522 5.3295  41764.35   1601.97  41406.35   2112.94  42248.36   2456.81  276.194 7.0632  278.884 8.1335  -2.689667      10.77234  
1 1 1 -3  3   18 o 197.566 3.8362  21155.81   820.894  22002.78   1160.50  20307.62   1161.34  201.403 5.3200  193.475 5.5420  7.927231       7.682149  
1 1 1 -3  3   19 o 180.127 3.6333  17586.85   708.846  17978.01   1003.12  17196.72   1001.80  182.040 5.0876  178.034 5.1953  4.006195       7.271509  
1 1 1 -3  3   20 o 242.840 4.4536  31986.52   1171.39  33397.77   1657.28  30577.60   1655.92  247.959 6.1709  237.226 6.4448  10.73253       8.922704  
1 1 1 -3  3   21 o 232.288 4.5822  29276.26   1152.84  29860.18   1752.16  28830.51   1530.88  234.313 6.9041  230.341 6.1362  3.971970       9.236866  
1 1 1 -3  3   22 o 183.487 3.8437  18260.44   763.875  17969.30   1144.69  18494.17   1025.65  181.841 5.8120  184.548 5.1312  -2.707169      7.752977  
1 1 1 -3  3   23 o 104.252 2.8017  5891.54    316.355  6132.29    445.310  5646.22    449.505  106.314 3.8673  102.003 4.0686  4.310547       5.613336  
1 1 1 -3  3   24 o 37.175  1.5604  748.693    62.829   684.666    88.588   813.496    89.122   35.466  2.3189  38.685  2.1353  -3.219032      3.152303  
1 1 1 -3  3   25 o 38.164  1.8512  789.336    76.519   534.994    250.743  815.455    80.352   30.645  7.5932  38.789  1.9126  -8.143980      7.830324  
1 1 1 -3  3   26 o 51.466  3.5466  1446.76    196.493  1592.29    273.604  1291.75    282.370  53.834  4.7407  48.313  5.4938  5.521248       7.256496  
1 1 1 -3  3   27 o 89.459  2.7279  4348.21    264.320  4470.09    413.826  4264.23    343.524  90.498  4.2219  88.486  3.5844  2.012215       5.538235  
1 1 1 -3  3   28 o 60.620  2.5967  1997.73    170.493  1885.35    195.785  2350.34    346.811  58.764  3.0869  65.246  4.9443  -6.482071      5.828843  
1 1 1 -3  3   29 o 31.474  6.2907  570.006    206.948  671.075    292.103  468.151    293.238  33.769  8.0922  28.476  8.7031  5.292408       11.88389  
1 1 1 -3  3   30 o 35.775  1.4346  694.361    55.589   708.062    56.185   58.416     382.784  36.126  1.4359  21.832  9.2773  14.29333       9.387725  
1 1 1 -3  3   31 o 86.257  3.2773  4078.66    306.184  4379.32    432.274  3775.94    433.749  88.795  4.5095  82.253  4.8908  6.542160       6.652473  
1 1 1 -3  3   32 o 24.836  2.4680  340.162    65.512   1039.79    301.210  305.424    67.119   42.008  6.8567  23.480  2.6876  18.52801       7.364579  
1 1 1 -3  3   33 o 52.857  2.3933  1528.23    137.012  1500.56    149.874  1669.03    338.045  52.250  2.6570  53.624  5.9189  -1.373638      6.487954  
1 1 1 -3  3   34 o 12.599  5.8963  -156.1366  200.917  -311.4330  286.347  -5.5386    281.982  13.900  6.6581  17.217  7.6273  -3.317734      10.12451  
1 1 1 -3  3   35 o 27.682  10.191  572.243    402.094  572.243    402.094  0.0000     0.0000   27.682  10.191  ?       ?       0.000000       10.19114  
1 1 1 -3  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  4   1  o 68.149  2.3553  2515.40    173.848  2341.68    245.715  2689.52    246.002  65.659  3.4675  70.466  3.2232  -4.807114      4.734180  
1 1 1 -3  4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  4   3  o 441.231 14.896  105837.70  7118.70  0.0000     0.0000   105837.70  7118.70  ?       ?       441.231 14.896  0.000000       14.89583  
1 1 1 -3  4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  4   5  o 668.203 22.250  244527.41  16103.04 0.0000     0.0000   244527.41  16103.04 ?       ?       668.203 22.250  0.000000       22.24996  
1 1 1 -3  4   6  o 273.573 4.8473  40558.94   1436.29  41341.16   2871.86  40298.03   1658.62  275.919 9.6097  272.659 5.6164  3.259705       11.13062  
1 1 1 -3  4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  4   8  o 415.419 9.1262  93708.86   4106.27  95032.20   5350.87  91813.15   6404.37  417.962 11.820  410.375 14.409  7.587677       18.63660  
1 1 1 -3  4   9  o 274.832 4.8967  40927.78   1457.61  41473.26   2061.06  40381.96   2061.69  276.581 6.8801  272.914 6.9747  3.667328       9.797098  
1 1 1 -3  4   10 o 561.035 9.3202  170712.00  5663.51  172534.91  8009.34  168889.09  8009.49  563.613 13.120  557.609 13.262  6.004395       18.65532  
1 1 1 -3  4   11 o 740.783 24.549  299967.59  19696.75 299967.59  19696.75 0.0000     0.0000   740.783 24.549  ?       ?       0.000000       24.54898  
1 1 1 -3  4   12 o 411.484 6.9645  91769.41   3103.94  94252.61   4389.59  89286.13   4389.67  416.855 9.7223  405.706 9.9897  11.14914       13.93975  
1 1 1 -3  4   13 o 586.749 19.564  187760.80  12433.11 0.0000     0.0000   187760.80  12433.11 ?       ?       586.749 19.564  0.000000       19.56400  
1 1 1 -3  4   14 o 314.369 9.1529  53616.89   3116.52  53186.54   3768.48  54548.07   5543.35  312.971 11.117  316.066 16.248  -3.094757      19.68711  
1 1 1 -3  4   15 o 165.122 3.7637  14771.36   673.116  14881.95   952.161  14660.88   951.698  165.707 5.3052  164.471 5.3425  1.236282       7.529057  
1 1 1 -3  4   16 o 405.722 6.8884  89296.30   3027.05  88472.91   4280.59  90119.95   4281.19  403.499 9.7947  407.250 9.7059  -3.751068      13.78913  
1 1 1 -3  4   17 o 549.909 9.1592  164403.30  5455.32  165499.50  7715.00  163307.20  7714.96  550.678 12.935  546.990 13.022  3.687988       18.35465  
1 1 1 -3  4   18 o 199.054 3.8700  21476.10   834.349  21530.52   1180.31  21421.75   1179.59  199.220 5.4701  198.715 5.4806  0.5045166      7.743300  
1 1 1 -3  4   19 o 364.173 6.2569  72014.44   2467.94  74019.70   3490.52  70009.93   3489.86  368.740 8.7398  358.559 8.9862  10.18008       12.53539  
1 1 1 -3  4   20 o 28.046  1.8600  427.974    56.181   418.515    58.111   563.340    219.825  27.727  1.9474  31.609  6.6325  -3.881870      6.912438  
1 1 1 -3  4   21 o 238.188 4.6101  30783.07   1189.32  31718.35   1578.09  29553.47   1809.44  241.615 6.0303  233.067 7.1679  8.548416       9.367160  
1 1 1 -3  4   22 o 220.084 4.7817  26293.00   1139.82  25912.89   1414.86  26995.83   1923.92  218.342 5.9828  222.538 7.9820  -4.196564      9.975277  
1 1 1 -3  4   23 o 324.110 5.6701  57115.09   1990.47  58610.57   2815.45  55620.68   2814.45  327.704 7.9322  319.170 8.1414  8.533936       11.36678  
1 1 1 -3  4   24 o 62.132  3.3140  2100.16    222.215  1945.80    312.380  2258.28    316.172  59.634  4.8791  64.310  4.5689  -4.676521      6.684343  
1 1 1 -3  4   25 o 215.818 4.3836  25328.13   1024.69  24840.91   1548.25  25707.89   1366.90  213.147 6.7064  217.092 5.8133  -3.945648      8.875287  
1 1 1 -3  4   26 o 118.599 3.0719  7639.51    394.605  7491.01    555.999  7790.22    560.135  117.266 4.3776  119.593 4.3243  -2.327553      6.153265  
1 1 1 -3  4   27 o 36.070  1.1032  704.950    43.097   226.895    237.252  721.262    43.827   21.851  7.8601  36.485  1.1091  -14.63308      7.937917  
1 1 1 -3  4   28 o 59.069  3.7494  1912.21    238.637  1857.57    335.830  1967.93    339.161  57.841  5.4239  59.578  5.3117  -1.736824      7.591632  
1 1 1 -3  4   29 o 159.385 3.5117  13880.86   606.222  13875.46   857.051  13886.28   857.605  158.637 4.9881  158.698 4.9894  -0.6109619E-01 7.055111  
1 1 1 -3  4   30 o 35.071  1.7366  667.876    65.967   672.340    66.916   513.912    393.005  35.187  1.7558  30.002  10.160  5.184904       10.31013  
1 1 1 -3  4   31 o 113.359 3.1180  7036.50    382.833  6927.82    530.411  7154.68    553.117  111.885 4.3769  113.636 4.4940  -1.751122      6.273228  
1 1 1 -3  4   32 o 18.570  7.1311  149.163    201.458  171.045    286.291  127.699    283.539  21.000  8.3701  20.123  8.2179  0.8773003      11.72997  
1 1 1 -3  4   33 f 41.736  1.7973  948.689    81.245   967.782    84.173   688.479    310.735  42.147  1.8439  32.956  8.6104  9.191139       8.805613  
1 1 1 -3  4   34 o 18.854  7.2411  178.345    207.746  327.229    294.315  30.504     293.282  23.362  8.6963  18.011  7.8856  5.351191       11.73915  
1 1 1 -3  4   35 o 25.033  9.8428  424.020    390.945  424.020    390.945  0.0000     0.0000   25.033  9.8428  ?       ?       0.000000       9.842829  
1 1 1 -3  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   3  o 329.554 6.6051  58860.90   2357.62  56922.29   4083.71  59830.07   2887.42  323.820 11.643  332.195 8.0250  -8.375519      14.14110  
1 1 1 -3  5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   6  o 193.614 3.9446  20310.38   827.195  20279.56   2079.23  20316.17   901.618  192.965 9.9826  193.633 4.2991  -0.6679993     10.86895  
1 1 1 -3  5   7  o 468.863 7.8185  119313.80  3970.43  113467.10  7940.24  121263.10  4584.78  455.607 16.091  472.514 8.9585  -16.90665      18.41634  
1 1 1 -3  5   8  o 537.233 12.667  157096.70  7370.47  162869.91  10423.73 151324.09  10423.11 545.722 17.635  525.826 18.301  19.89594       25.41544  
1 1 1 -3  5   9  o 699.126 13.325  265773.50  10090.11 258371.70  17476.44 269474.59  12357.85 686.395 23.508  703.291 16.223  -16.89600      28.56223  
1 1 1 -3  5   10 o 569.323 9.4282  175795.50  5813.79  170552.80  8221.69  181038.80  8222.20  560.324 13.547  577.344 13.149  -17.01971      18.87900  
1 1 1 -3  5   11 o 298.202 5.2251  48177.78   1687.63  47324.18   2385.92  49032.46   2387.41  295.484 7.4551  300.774 7.3285  -5.290161      10.45399  
1 1 1 -3  5   12 o 859.458 22.993  403563.00  21404.20 359508.81  39842.36 421435.59  25377.25 799.427 46.212  876.938 26.718  -77.51093      53.37958  
1 1 1 -3  5   13 o 747.686 17.450  304457.81  14131.13 300888.91  19984.22 308026.91  19984.66 741.138 24.895  749.977 24.602  -8.839172      35.00085  
1 1 1 -3  5   14 o 463.555 13.105  116803.30  6579.72  116444.00  7858.43  117645.70  12033.76 462.470 15.689  462.581 24.102  -0.1109314     28.75801  
1 1 1 -3  5   15 o 359.833 7.2217  70222.48   2814.57  71145.38   3980.46  69299.63   3980.35  361.933 10.154  357.194 10.288  4.739380       14.45524  
1 1 1 -3  5   16 o 248.010 4.5092  33334.63   1211.25  32744.58   1712.71  33925.05   1713.23  245.712 6.4356  250.108 6.3244  -4.396271      9.022979  
1 1 1 -3  5   17 o 423.928 7.8357  97604.78   3597.84  98642.04   5569.07  96861.74   4713.50  425.335 12.089  421.869 10.316  3.466217       15.89182  
1 1 1 -3  5   18 o 415.769 7.0403  93883.70   3170.41  91727.52   4483.49  96040.16   4483.79  410.348 10.088  419.940 9.8580  -9.591095      14.10469  
1 1 1 -3  5   19 o 21.801  1.6997  258.997    39.816   246.526    40.914   482.233    173.094  21.258  1.7937  29.315  5.6566  -8.056828      5.934144  
1 1 1 -3  5   20 o 175.382 3.5605  16674.43   676.334  16187.94   958.090  17157.67   954.879  172.711 5.1217  177.820 4.9579  -5.109573      7.128304  
1 1 1 -3  5   21 o 236.928 4.3927  30453.03   1127.24  29098.53   1594.56  31806.19   1593.77  231.378 6.3628  241.942 6.0820  -10.56371      8.802000  
1 1 1 -3  5   22 o 281.466 5.3007  43028.23   1615.96  44913.48   2477.67  41632.63   2131.77  287.042 7.9695  276.542 7.1172  10.49982       10.68488  
1 1 1 -3  5   23 o 128.539 3.1581  8958.81    439.677  8642.89    622.615  9273.07    620.984  126.168 4.5562  130.699 4.3867  -4.531006      6.324688  
1 1 1 -3  5   24 o 29.302  1.7633  466.882    55.702   445.422    57.233   852.067    242.473  28.611  1.8569  39.128  5.9052  -10.51704      6.190266  
1 1 1 -3  5   25 o 32.581  5.1496  592.102    175.687  537.867    241.056  653.551    256.588  30.730  7.3428  33.921  7.2063  -3.190964      10.28820  
1 1 1 -3  5   26 o 89.422  2.9780  4342.34    288.428  4097.43    404.833  4594.82    411.036  86.733  4.3094  91.868  4.1309  -5.134987      5.969531  
1 1 1 -3  5   27 o 49.451  1.4428  1325.56    77.275   1314.37    108.867  1336.92    109.706  49.219  2.0422  49.640  2.0405  -0.4205093     2.886848  
1 1 1 -3  5   28 f 54.961  2.6532  1642.49    157.941  1440.18    178.676  2365.55    337.788  51.316  3.2312  65.493  4.7953  -14.17693      5.782343  
1 1 1 -3  5   29 o 85.698  3.2581  4008.09    302.415  4087.04    426.949  3928.59    428.412  86.093  4.5953  84.366  4.7072  1.727272       6.578277  
1 1 1 -3  5   30 o 92.478  2.7007  4661.66    270.510  4487.75    381.846  4836.88    383.277  90.419  3.8991  93.912  3.7681  -3.492859      5.422288  
1 1 1 -3  5   31 o 30.152  6.6453  535.413    211.175  476.715    299.823  593.198    297.483  28.290  8.8260  31.270  8.5417  -2.979683      12.28245  
1 1 1 -3  5   32 o 55.316  4.0680  1704.38    242.017  1878.30    343.773  1533.47    340.775  57.394  5.6015  51.501  6.2362  5.893135       8.382562  
1 1 1 -3  5   33 o 50.784  2.5211  1412.41    138.672  1801.22    340.781  1335.25    151.809  55.837  5.7154  49.219  2.8600  6.617916       6.391011  
1 1 1 -3  5   34 o 24.580  1.3012  329.566    34.518   329.447    34.759   338.037    293.254  24.575  1.3106  23.571  8.6990  1.003510       8.797230  
1 1 1 -3  5   35 o 21.705  9.2391  215.414    380.839  215.414    380.839  0.0000     0.0000   21.705  9.2391  ?       ?       0.000000       9.239055  
1 1 1 -3  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  6   4  o 445.648 10.616  107796.40  5124.21  107653.30  7246.83  107939.40  7246.63  444.847 15.041  445.440 15.020  -0.5935364     21.25627  
1 1 1 -3  6   5  o 247.092 5.1809  33085.68   1386.54  32944.72   2402.03  33156.11   1697.99  246.405 9.0003  247.316 6.3389  -0.9107361     11.00853  
1 1 1 -3  6   6  o 250.383 5.1953  33979.53   1408.91  31765.80   2439.27  35087.81   1725.93  241.862 9.3116  254.384 6.2642  -12.52206      11.22250  
1 1 1 -3  6   7  o 599.742 13.978  196159.09  9079.56  182678.70  12839.52 209643.41  12841.35 576.431 20.565  618.113 19.181  -41.68140      28.12182  
1 1 1 -3  6   8  o 297.033 5.2122  47820.55   1676.84  48101.43   3353.12  47726.88   1936.36  297.531 10.405  296.700 6.0256  0.8312378      12.02390  
1 1 1 -3  6   9  o 699.157 23.266  267903.31  17618.73 0.0000     0.0000   267903.31  17618.73 ?       ?       699.157 23.266  0.000000       23.26642  
1 1 1 -3  6   10 o 601.566 9.9009  196297.00  6451.02  184634.00  9122.76  207961.91  9123.49  582.885 14.450  618.733 13.614  -35.84827      19.85322  
1 1 1 -3  6   11 o 314.117 5.8084  53462.80   1976.13  53233.18   3040.21  53630.79   2600.38  313.328 8.9585  314.550 7.6327  -1.221924      11.76912  
1 1 1 -3  6   12 o 824.658 15.652  369803.59  13980.65 366909.31  17122.62 375592.59  24215.54 820.560 19.266  827.742 27.010  -7.181885      33.17726  
1 1 1 -3  6   13 o 308.814 7.6559  51702.18   2560.73  51956.39   3621.78  51448.06   3621.07  309.404 10.808  307.884 10.859  1.520508       15.32040  
1 1 1 -3  6   14 o 268.780 6.8392  39163.10   1991.01  39740.49   2814.25  38584.50   2817.17  270.620 9.6014  266.646 9.7546  3.973663       13.68715  
1 1 1 -3  6   15 o 166.152 3.8127  14956.47   686.130  14936.67   970.631  14976.24   970.038  166.008 5.3983  166.228 5.3878  -0.2200165     7.626956  
1 1 1 -3  6   16 o 713.093 13.808  277287.91  10664.69 282925.69  12661.75 263523.31  19784.35 719.354 16.251  688.828 26.518  30.52527       31.10146  
1 1 1 -3  6   17 o 127.732 3.1205  8839.80    431.714  8718.52    620.218  8953.79    601.292  126.821 4.5152  128.526 4.3194  -1.704994      6.248571  
1 1 1 -3  6   18 o 360.694 6.2100  70614.45   2426.08  71303.97   3431.11  69925.02   3430.87  362.052 8.7497  358.518 8.8353  3.533569       12.43466  
1 1 1 -3  6   19 o 159.035 3.3800  13707.86   582.216  13516.92   823.606  13898.59   823.148  157.859 4.8170  160.076 4.7477  -2.216827      6.763447  
1 1 1 -3  6   20 o 272.224 5.7480  40238.80   1694.78  40476.18   2396.94  40001.48   2396.63  272.668 8.1162  271.056 8.1634  1.611969       11.51148  
1 1 1 -3  6   21 o 175.516 3.5842  16702.44   681.369  17088.49   965.873  16320.00   961.345  177.434 5.0259  173.391 5.1190  4.042953       7.173820  
1 1 1 -3  6   22 o 290.039 5.1581  45682.82   1620.38  44923.39   2291.91  46441.79   2291.22  287.207 7.3677  292.047 7.2434  -4.840881      10.33200  
1 1 1 -3  6   23 o 200.845 4.1165  21891.61   895.497  22068.57   1347.40  21751.61   1198.48  201.390 6.1772  200.032 5.5318  1.357742       8.292043  
1 1 1 -3  6   24 o 85.870  3.0166  3998.93    280.557  4196.24    398.668  3805.33    394.894  87.904  4.1873  83.585  4.3772  4.318619       6.057468  
1 1 1 -3  6   25 f 50.613  3.6224  1398.31    197.264  1442.49    276.323  1352.39    281.701  51.225  5.0460  49.538  5.3344  1.686729       7.342844  
1 1 1 -3  6   26 o 110.318 2.9423  6608.57    351.559  7327.30    504.561  5930.41    490.113  116.027 4.0150  104.339 4.3369  11.68773       5.910082  
1 1 1 -3  6   27 o 81.472  2.5979  3605.49    229.245  3707.24    285.565  3421.05    384.458  82.550  3.1939  78.996  4.5121  3.553909       5.528112  
1 1 1 -3  6   28 o 52.950  4.0184  1541.02    228.741  1216.41    321.308  1874.58    325.714  46.395  6.5784  58.156  5.2268  -11.76083      8.402079  
1 1 1 -3  6   29 o 50.940  4.1592  1432.23    227.475  1262.06    319.459  1607.26    323.986  47.172  6.4193  53.570  5.6700  -6.397793      8.564816  
1 1 1 -3  6   30 o 104.224 2.8879  5926.69    325.999  6149.22    459.984  5702.13    462.086  105.796 4.0142  101.812 4.1904  3.983749       5.802871  
1 1 1 -3  6   31 o 72.607  3.4805  2894.74    273.708  2959.54    388.655  2830.97    385.527  72.746  4.9623  71.107  5.0384  1.639290       7.071768  
1 1 1 -3  6   32 o 16.916  6.8937  81.396     198.995  -124.2793  281.668  286.353    281.176  16.198  7.3606  23.317  8.5315  -7.119131      11.26787  
1 1 1 -3  6   33 o 45.847  2.0047  1146.46    99.545   837.861    319.118  1179.72    104.773  36.591  8.2491  46.495  2.0806  -9.903221      8.507443  
1 1 1 -3  6   34 o 4.4944  2.1640  -46.8357   31.150   -49.6535   31.330   196.815    291.331  4.4431  2.1470  20.686  8.3738  -16.24302      8.644680  
1 1 1 -3  6   35 o 19.341  8.6470  44.842     371.018  44.842     371.018  0.0000     0.0000   19.341  8.6470  ?       ?       0.000000       8.646955  
1 1 1 -3  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   6  o 237.059 4.3226  30452.22   1109.86  30357.18   1569.68  30547.25   1569.48  236.615 6.1249  237.356 6.1050  -0.7404938     8.647877  
1 1 1 -3  7   7  o 646.662 21.671  230241.00  15178.48 0.0000     0.0000   230241.00  15178.48 ?       ?       646.662 21.671  0.000000       21.67109  
1 1 1 -3  7   8  o 273.990 5.5958  40692.98   1660.62  38264.27   2875.39  41908.45   2034.15  265.414 10.002  277.992 6.7558  -12.57843      12.07016  
1 1 1 -3  7   9  o 274.030 4.8097  40686.77   1427.54  36004.72   2853.92  42249.14   1648.60  257.557 10.231  279.223 5.4512  -21.66592      11.59224  
1 1 1 -3  7   10 o 289.247 5.8903  45334.04   1845.35  43698.84   3195.91  46151.89   2260.20  283.812 10.397  291.805 7.1513  -7.993256      12.61870  
1 1 1 -3  7   11 o 357.399 6.9926  69227.62   2706.83  68969.15   3315.18  69744.55   4688.38  356.662 8.5818  358.460 12.076  -1.797241      14.81453  
1 1 1 -3  7   12 o 794.455 19.665  344034.91  16921.22 362095.91  35731.33 338813.50  19212.13 805.340 41.101  787.608 22.521  17.73218       46.86649  
1 1 1 -3  7   13 o 452.386 10.777  111072.60  5280.48  110865.50  7467.58  111279.70  7467.89  451.469 15.271  452.315 15.244  -0.8462219     21.57742  
1 1 1 -3  7   14 o 779.597 18.212  331550.09  15378.19 325473.50  21748.13 337626.59  21747.97 769.481 26.095  783.927 25.614  -14.44653      36.56503  
1 1 1 -3  7   15 o 328.133 6.0662  58371.35   2155.93  59967.36   3320.25  57207.90   2834.84  332.359 9.2234  324.716 8.0604  7.643494       12.24915  
1 1 1 -3  7   16 o 409.327 6.9270  90896.32   3071.06  94479.09   4343.62  87315.14   4342.65  416.976 9.6177  400.800 10.004  16.17590       13.87704  
1 1 1 -3  7   17 o 248.573 4.8003  33498.57   1292.40  34981.16   1712.19  31535.23   1970.33  253.919 6.2257  240.984 7.5489  12.93524       9.784888  
1 1 1 -3  7   18 o 154.628 3.5070  12957.72   587.350  13161.91   828.123  12751.03   833.178  155.788 4.9078  153.332 5.0169  2.455765       7.018276  
1 1 1 -3  7   19 o 93.695  2.7567  4756.67    279.755  4692.79    413.734  4810.47    379.718  93.034  4.1059  94.203  3.7216  -1.169144      5.541547  
1 1 1 -3  7   20 o 118.505 2.9822  7610.65    382.776  8061.92    539.873  7154.50    542.794  121.929 4.0880  114.852 4.3634  7.077454       5.979259  
1 1 1 -3  7   21 o 176.555 3.7821  16903.01   723.242  16971.39   974.162  16819.02   1079.58  176.819 5.0867  175.974 5.6642  0.8450928      7.612941  
1 1 1 -3  7   22 o 129.640 3.3128  9112.08    465.169  9130.81    657.862  9093.35    657.835  129.699 4.6830  129.432 4.6925  0.2669220      6.629497  
1 1 1 -3  7   23 o 207.665 4.4490  23412.05   1000.68  24043.19   1253.14  22301.30   1662.44  210.308 5.5014  202.202 7.5908  8.105743       9.374760  
1 1 1 -3  7   24 o 315.932 6.5440  54423.09   2239.28  53776.79   2709.39  55816.12   3977.73  313.533 7.9784  317.672 11.561  -4.138824      14.04658  
1 1 1 -3  7   25 o 95.014  2.8340  4897.58    291.650  4635.70    434.626  5112.09    393.366  92.329  4.3462  97.009  3.7438  -4.679970      5.736349  
1 1 1 -3  7   26 o 55.664  1.8239  1679.79    109.964  1575.74    154.884  1785.54    156.150  53.881  2.6540  57.363  2.5133  -3.481430      3.655163  
1 1 1 -3  7   27 o 55.216  3.7146  1668.72    220.859  1541.16    297.650  1825.00    329.449  52.762  5.2793  57.441  5.3572  -4.678677      7.521364  
1 1 1 -3  7   28 o 46.041  4.4433  1171.45    218.825  1082.21    307.315  1263.22    311.660  43.673  6.7116  47.393  6.2219  -3.719795      9.151965  
1 1 1 -3  7   29 o 81.288  2.8465  3599.91    250.620  3354.77    316.078  4014.98    411.292  78.305  3.7268  85.365  4.4639  -7.059547      5.815089  
1 1 1 -3  7   30 f 190.656 4.0930  19983.13   845.198  19471.09   1261.37  20400.36   1138.62  186.359 6.2492  191.500 5.4896  -5.141388      8.317908  
1 1 1 -3  7   31 o 8.9793  4.4948  -503.6653  184.590  -473.7429  261.015  -533.6041  261.086  12.133  5.9371  11.706  5.7697  0.4270144      8.278835  
1 1 1 -3  7   32 o 44.096  4.7797  1098.58    224.627  1212.17    317.668  984.986    317.674  45.521  6.6384  40.541  7.5113  4.980480       10.02437  
1 1 1 -3  7   33 o 17.679  3.8468  180.111    71.564   1099.26    308.945  127.995    73.565   42.867  6.8872  14.947  4.3081  27.92036       8.123646  
1 1 1 -3  7   34 o 31.204  1.7982  533.582    60.519   533.908    61.733   525.519    306.668  31.206  1.8345  27.893  8.9545  3.313629       9.140472  
1 1 1 -3  7   35 o 17.114  7.9733  -142.9228  360.797  -142.9228  360.797  0.0000     0.0000   17.114  7.9733  ?       ?       0.000000       7.973254  
1 1 1 -3  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  8   3  f 320.757 5.5894  55750.66   1941.83  56530.92   2746.17  54970.40   2746.17  322.901 7.8521  318.407 7.9629  4.493256       11.18323  
1 1 1 -3  8   4  o 188.312 3.6615  19209.66   746.795  19602.54   1056.27  18816.98   1055.99  190.201 5.1273  186.349 5.2319  3.852234       7.325467  
1 1 1 -3  8   5  f 324.065 5.5466  56918.63   1946.85  57931.61   2753.43  55905.88   2753.09  326.809 7.7788  321.035 7.9177  5.773865       11.09949  
1 1 1 -3  8   6  o 261.398 4.6594  37030.48   1319.17  36174.84   1865.66  37886.00   1865.52  258.262 6.6696  264.308 6.5166  -6.046509      9.324688  
1 1 1 -3  8   7  o 169.072 3.3330  15486.53   610.350  14235.17   1219.03  15905.18   705.095  161.992 6.9478  171.332 3.7996  -9.340179      7.918924  
1 1 1 -3  8   8  o 251.331 4.8796  34232.21   1328.33  34776.80   3527.33  34142.22   1433.88  252.467 12.943  250.986 5.2747  1.480621       13.97651  
1 1 1 -3  8   9  f 808.766 26.887  359516.91  23552.47 0.0000     0.0000   359516.91  23552.47 ?       ?       808.766 26.887  0.000000       26.88706  
1 1 1 -3  8   10 o 337.840 6.2745  61849.61   2295.93  66350.37   4265.46  60013.73   2724.24  349.669 11.263  332.740 7.5591  16.92914       13.56414  
1 1 1 -3  8   11 o 451.868 8.7640  110709.70  4289.28  104913.60  7428.84  113608.20  5253.42  439.306 15.613  457.617 10.599  -18.31128      18.87071  
1 1 1 -3  8   12 o 676.905 12.883  248838.09  9445.63  251204.80  11568.67 244105.09  16359.81 679.651 15.715  668.491 22.595  11.15985       27.52290  
1 1 1 -3  8   13 o 473.144 11.244  121525.50  5761.96  123492.00  8148.28  119558.60  8149.00  476.404 15.791  468.719 16.052  7.685059       22.51725  
1 1 1 -3  8   14 o 704.779 15.197  270386.59  11600.44 287364.09  28140.83 266910.91  12732.61 717.077 36.352  699.836 16.798  17.24115       40.04497  
1 1 1 -3  8   15 o 57.270  3.2162  1782.34    198.693  2095.29    283.567  1480.50    278.489  62.040  4.2455  52.027  5.0038  10.01319       6.562172  
1 1 1 -3  8   16 o 214.783 4.0641  24998.02   945.447  25033.32   1338.19  24962.84   1335.95  214.868 5.7501  214.565 5.7486  0.3026428      8.130772  
1 1 1 -3  8   17 o 120.421 3.0059  7856.63    392.054  7708.14    556.643  8002.81    552.279  119.251 4.3097  121.511 4.1964  -2.260780      6.015220  
1 1 1 -3  8   18 o 226.378 4.4874  27785.86   1100.26  28134.19   1462.73  27331.95   1669.74  227.692 5.9313  224.342 6.8718  3.349228       9.077493  
1 1 1 -3  8   19 o 141.405 3.1763  10836.25   486.472  10643.26   688.748  11028.37   687.205  140.089 4.5393  142.605 4.4492  -2.516022      6.356140  
1 1 1 -3  8   20 o 343.958 7.0389  64325.76   2622.28  66016.01   3708.85  62636.23   3708.07  347.785 9.8460  338.695 10.108  9.090546       14.11085  
1 1 1 -3  8   21 o 46.534  3.6643  1181.38    183.189  990.822    261.668  1364.55    256.546  42.308  5.8684  49.915  4.8047  -7.607227      7.584371  
1 1 1 -3  8   22 o 244.907 4.5083  32551.34   1195.86  33097.91   1692.89  32006.94   1689.52  246.698 6.3357  242.583 6.4303  4.115234       9.027190  
1 1 1 -3  8   23 o 245.607 4.5314  32752.05   1205.42  32614.38   1706.28  32889.22   1703.17  244.770 6.4361  245.806 6.3973  -1.036835      9.074598  
1 1 1 -3  8   24 o 167.013 3.5131  15135.65   635.498  16118.34   902.341  14168.52   895.163  172.196 4.8381  161.409 5.1204  10.78720       7.044581  
1 1 1 -3  8   25 o 84.319  2.7289  3856.70    249.222  3575.67    325.417  4255.35    387.585  81.133  3.7032  88.482  4.0443  -7.349785      5.483576  
1 1 1 -3  8   26 o 31.221  1.2728  528.147    43.041   385.973    61.046   668.681    60.693   26.592  2.1376  35.125  1.5953  -8.532909      2.667291  
1 1 1 -3  8   27 o 53.037  3.8714  1541.72    220.856  1348.99    299.105  1772.78    327.498  49.229  5.7160  56.591  5.4089  -7.361980      7.869469  
1 1 1 -3  8   28 f 92.632  3.1975  4674.50    320.803  4484.81    453.305  4864.83    454.063  90.322  4.6494  94.240  4.4485  -3.917671      6.434768  
1 1 1 -3  8   29 o 53.004  4.1000  1549.31    233.544  1541.95    330.393  1556.66    330.170  52.372  5.9290  52.636  5.8925  -0.2645264     8.359077  
1 1 1 -3  8   30 o 64.016  2.6255  2233.21    182.042  2215.62    210.239  2285.90    363.907  63.694  3.0475  63.954  5.3014  -0.2596779     6.114861  
1 1 1 -3  8   31 o 31.862  1.6130  552.852    55.485   617.383    78.761   489.276    78.177   33.603  2.1757  29.858  2.4387  3.745451       3.268197  
1 1 1 -3  8   32 o 17.048  6.9279  85.787     200.263  -1.4106    283.021  173.223    283.408  17.939  7.8026  20.974  8.3378  -3.034595      11.41926  
1 1 1 -3  8   33 o 27.875  7.0291  474.687    212.178  895.947    299.672  51.213     300.459  38.280  7.4961  18.992  8.1481  19.28803       11.07174  
1 1 1 -3  8   34 o 15.665  1.8975  136.078    31.537   163.408    289.016  135.749    31.727   20.006  8.2480  15.643  1.9124  4.363404       8.466796  
1 1 1 -3  8   35 o 19.982  8.8155  96.130     372.893  96.130     372.893  0.0000     0.0000   19.982  8.8155  ?       ?       0.000000       8.815531  
1 1 1 -3  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   6  o 490.077 8.0965  130357.80  4297.66  135221.80  6078.04  125494.50  6077.58  498.618 11.254  480.269 11.684  18.34921       16.22249  
1 1 1 -3  9   7  o 345.393 6.3449  64695.22   2373.62  65112.14   3662.06  64393.17   3117.04  346.175 9.7670  344.410 8.3559  1.764801       12.85361  
1 1 1 -3  9   8  o 306.346 5.3329  50863.62   1769.47  49988.20   3538.47  51155.53   2043.30  303.329 10.770  307.184 6.1413  -3.854767      12.39826  
1 1 1 -3  9   9  o 202.977 3.8708  22318.36   850.974  21520.50   1701.09  22584.67   982.785  199.223 7.8835  204.175 4.4441  -4.951889      9.049841  
1 1 1 -3  9   10 o 744.330 17.368  301470.19  14002.02 0.0000     0.0000   301470.19  14002.02 ?       ?       744.330 17.368  0.000000       17.36821  
1 1 1 -3  9   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   12 o 584.543 11.213  185440.59  7099.32  174436.70  12296.78 190942.00  8694.71  565.601 20.073  592.860 13.540  -27.25854      24.21293  
1 1 1 -3  9   13 o 718.221 23.862  282399.09  18562.13 0.0000     0.0000   282399.09  18562.13 ?       ?       718.221 23.862  0.000000       23.86158  
1 1 1 -3  9   14 o 625.409 11.961  212510.09  8102.27  205718.50  14033.51 215906.00  9923.23  613.229 21.129  629.897 14.545  -16.66852      25.65112  
1 1 1 -3  9   15 o 442.747 7.4709  106332.90  3582.61  107320.30  5066.60  105345.60  5066.54  444.436 10.525  440.315 10.624  4.121246       14.95483  
1 1 1 -3  9   16 o 719.595 11.881  281922.41  9260.11  283578.69  13095.78 280266.19  13095.75 719.798 16.798  715.537 16.898  4.261536       23.82639  
1 1 1 -3  9   17 o 513.452 8.5881  143286.59  4776.01  139472.50  6754.13  147101.00  6754.46  505.607 12.333  519.350 12.008  -13.74319      17.21337  
1 1 1 -3  9   18 o 489.976 8.1865  130531.60  4344.54  134518.41  6144.51  126545.90  6143.70  496.470 11.427  481.416 11.783  15.05389       16.41341  
1 1 1 -3  9   19 o 335.727 6.2944  61211.30   2288.81  60901.33   3008.19  61637.45   3527.15  334.530 8.3023  336.251 9.6848  -1.720917      12.75632  
1 1 1 -3  9   20 o 162.962 3.4179  14395.37   603.275  14902.74   854.415  13890.97   851.911  165.735 4.7597  160.001 4.9159  5.734665       6.842604  
1 1 1 -3  9   21 o 124.271 3.0854  8370.58    415.290  8649.11    585.323  8088.24    589.316  126.270 4.2798  122.099 4.4562  4.171410       6.178554  
1 1 1 -3  9   22 o 402.978 6.8626  88381.83   2995.32  91775.85   4236.85  84990.45   4235.20  409.693 9.5480  394.107 9.9218  15.58636       13.76979  
1 1 1 -3  9   23 o 55.310  2.1928  1657.72    131.361  1742.33    149.299  1367.71    276.411  56.700  2.4311  49.903  5.1899  6.796761       5.731053  
1 1 1 -3  9   24 o 371.963 6.8890  75506.05   2775.40  77225.71   4286.15  74264.38   3642.06  374.234 10.574  367.820 9.1420  6.413971       13.97832  
1 1 1 -3  9   25 o 353.414 6.0998  68210.45   2334.91  71594.96   3303.55  64832.03   3300.57  360.691 8.4562  342.948 8.8857  17.74240       12.26633  
1 1 1 -3  9   26 o 20.948  6.6842  236.384    171.077  371.811    303.858  173.533    207.003  26.612  8.9336  19.860  7.3121  6.752197       11.54455  
1 1 1 -3  9   27 o 93.505  3.1190  4756.10    315.883  4844.10    439.750  4662.28    454.044  94.176  4.3112  92.349  4.5394  1.826836       6.260348  
1 1 1 -3  9   28 o 153.054 3.4245  12772.81   567.695  13281.30   803.829  12266.81   801.860  155.574 4.7704  149.438 4.9541  6.136536       6.877518  
1 1 1 -3  9   29 o 84.194  3.2727  3869.60    298.437  4045.56    423.410  3695.88    420.711  85.644  4.5811  81.785  4.7701  3.858788       6.613650  
1 1 1 -3  9   30 o 72.858  2.7284  2894.40    215.306  2824.61    259.266  3049.48    386.477  71.855  3.3313  74.099  4.8421  -2.243484      5.877430  
1 1 1 -3  9   31 o 63.557  2.1971  2199.90    151.246  2545.40    213.399  1851.18    214.393  68.227  2.8878  57.973  3.4297  10.25448       4.483529  
1 1 1 -3  9   32 o 86.420  2.9426  4094.64    275.432  4405.18    440.674  3895.55    352.844  88.749  4.6002  83.914  3.8822  4.835373       6.019419  
1 1 1 -3  9   33 o 51.812  4.2917  1511.49    238.669  1503.25    336.378  1519.84    338.692  50.611  6.2707  50.888  6.2781  -0.2773819     8.873299  
1 1 1 -3  9   34 o 42.918  5.0668  1078.43    230.986  1248.94    326.284  907.131    327.043  44.852  6.9406  37.041  8.3512  7.811115       10.85882  
1 1 1 -3  9   35 o 18.869  8.5057  12.518     367.220  12.518     367.220  0.0000     0.0000   18.869  8.5057  ?       ?       0.000000       8.505661  
1 1 1 -3  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  10  2  o 503.528 16.881  138045.80  9206.23  138045.80  9206.23  0.0000     0.0000   503.528 16.881  ?       ?       0.000000       16.88061  
1 1 1 -3  10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  10  5  o 497.382 9.5864  134333.50  5164.37  135861.80  8944.74  133569.20  6325.11  498.881 16.554  495.626 11.783  3.254974       20.31904  
1 1 1 -3  10  6  o 91.694  2.5037  4554.25    248.652  4797.88    352.248  4312.27    351.050  94.105  3.4559  89.214  3.6330  4.891304       5.014194  
1 1 1 -3  10  7  o 390.290 7.6301  82655.95   3225.42  86440.54   5587.52  80764.59   3949.99  398.386 12.949  385.594 9.4579  12.79126       16.03546  
1 1 1 -3  10  8  o 279.262 4.9230  42261.16   1489.06  43234.49   2977.42  41936.51   1719.56  282.198 9.7413  278.157 5.7076  4.040955       11.29025  
1 1 1 -3  10  9  o 464.163 7.7602  116809.00  3901.34  111428.30  7802.06  118602.90  4505.00  452.518 15.919  467.629 8.8945  -15.11105      18.23491  
1 1 1 -3  10  10 o 318.963 5.5339  55122.41   1911.81  57114.63   3823.33  54458.20   2207.63  324.455 10.880  317.009 6.4296  7.445435       12.63756  
1 1 1 -3  10  11 o 342.527 8.3564  63607.48   3100.15  0.0000     0.0000   63607.48   3100.15  ?       ?       342.527 8.3564  0.000000       8.356376  
1 1 1 -3  10  12 o 198.082 3.8116  21253.91   817.748  21585.28   1640.38  21144.33   943.320  199.546 7.5898  197.562 4.4084  1.983994       8.777206  
1 1 1 -3  10  13 o 229.954 8.5727  28677.43   2135.16  0.0000     0.0000   28677.43   2135.16  ?       ?       229.954 8.5727  0.000000       8.572710  
1 1 1 -3  10  14 o 619.348 11.828  208408.80  7934.60  221954.09  13744.04 201637.50  9717.54  637.272 19.912  608.660 14.740  28.61243       24.77452  
1 1 1 -3  10  15 o 464.554 7.8079  117087.20  3928.64  115323.40  5555.78  118851.10  5556.08  460.605 11.136  467.623 10.970  -7.017700      15.63198  
1 1 1 -3  10  16 o 247.085 4.4668  33087.80   1195.40  33977.58   1692.17  32201.42   1688.93  250.294 6.2420  243.655 6.3998  6.639175       8.939788  
1 1 1 -3  10  17 o 179.462 3.8388  17454.39   746.179  16742.12   1114.71  18032.67   1004.40  175.677 5.8584  182.361 5.0852  -6.683548      7.757554  
1 1 1 -3  10  18 o 203.940 4.1780  22547.53   922.877  22832.45   1393.05  22324.66   1232.03  205.090 6.2712  202.845 5.6077  2.245605       8.412758  
1 1 1 -3  10  19 o 355.041 6.6597  68481.03   2560.98  70625.65   3951.80  66928.19   3362.66  359.810 10.140  350.568 8.8561  9.241943       13.46314  
1 1 1 -3  10  20 o 238.429 4.6617  30840.88   1203.86  31386.45   1832.87  30426.94   1596.52  240.257 7.0435  236.660 6.2284  3.597092       9.402348  
1 1 1 -3  10  21 o 186.985 3.9513  18961.67   800.229  20189.59   1200.49  17979.75   1073.52  192.790 5.7491  181.962 5.4470  10.82831       7.919760  
1 1 1 -3  10  22 o 312.559 6.2780  53128.55   2125.32  54631.05   2574.99  49917.50   3764.35  316.663 7.5077  301.473 11.528  15.19022       13.75760  
1 1 1 -3  10  23 o 163.578 3.4627  14512.77   613.498  15086.03   871.582  13949.83   863.706  166.657 4.8285  160.244 4.9764  6.413422       6.933908  
1 1 1 -3  10  24 o 74.578  3.1024  3016.81    250.597  3136.75    363.960  2908.69    345.551  75.853  4.4495  73.041  4.3883  2.812378       6.249429  
1 1 1 -3  10  25 o 78.434  2.6306  3336.85    223.473  3419.81    288.246  3211.86    353.815  79.363  3.3533  76.733  4.2742  2.630219       5.432598  
1 1 1 -3  10  26 o 96.442  2.9229  5051.28    305.317  5248.66    437.588  4864.04    426.203  98.173  4.1153  94.501  4.1640  3.671730       5.854445  
1 1 1 -3  10  27 o 89.655  2.8277  4369.19    274.586  4136.83    424.595  4536.23    359.998  86.873  4.5282  91.242  3.6428  -4.368515      5.811583  
1 1 1 -3  10  28 o 46.858  4.4246  1213.02    221.903  1347.69    313.729  1078.20    313.907  49.020  6.0365  43.532  6.8869  5.488167       9.157984  
1 1 1 -3  10  29 o 30.395  6.4029  533.838    204.136  537.306    288.198  530.347    289.187  30.228  8.4658  30.046  8.5034  0.1819878      11.99903  
1 1 1 -3  10  30 o 28.138  1.4016  429.546    42.714   435.970    43.197   147.063    286.458  28.347  1.4069  20.898  8.3581  7.449289       8.475716  
1 1 1 -3  10  31 o 45.986  1.9023  1150.07    94.749   1189.10    99.435   765.104    312.301  46.753  1.9636  35.558  8.2659  11.19535       8.495917  
1 1 1 -3  10  32 o 8.1648  2.8278  32.939     30.488   276.466    281.890  30.057     30.668   23.092  8.5275  7.9683  2.8302  15.12387       8.984918  
1 1 1 -3  10  33 o 45.786  4.7032  1191.96    229.923  1538.01    324.406  842.668    325.919  51.386  5.9381  36.558  8.4067  14.82830       10.29239  
1 1 1 -3  10  34 o 22.377  7.4615  312.111    211.973  312.258    297.406  311.959    302.202  22.951  8.6996  22.988  8.7561  -0.3733063E-01 12.34317  
1 1 1 -3  10  35 o 17.086  7.9599  -140.5495  359.582  -140.5495  359.582  0.0000     0.0000   17.086  7.9599  ?       ?       0.000000       7.959948  
1 1 1 -3  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  11  1  o 123.352 2.9402  8241.43    392.823  7840.96    555.371  8642.37    555.699  120.307 4.2621  126.307 4.0620  -6.000572      5.887730  
1 1 1 -3  11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  11  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  11  4  o 358.074 6.1472  69502.17   2384.09  70587.20   3371.61  68417.13   3371.62  360.691 8.6304  355.093 8.7665  5.598206       12.30185  
1 1 1 -3  11  5  o 173.593 3.4069  16325.43   640.569  17225.38   906.141  15426.44   905.662  178.285 4.6926  168.712 4.9562  9.572998       6.825272  
1 1 1 -3  11  6  f 456.871 7.6759  113276.30  3798.35  112628.90  5371.74  113923.70  5371.62  455.080 10.898  457.700 10.836  -2.619476      15.36824  
1 1 1 -3  11  7  o 367.034 6.2921  73048.77   2501.35  73619.13   3537.45  72478.41   3537.44  368.229 8.8696  365.358 8.9392  2.871338       12.59280  
1 1 1 -3  11  8  o 474.757 10.184  122376.40  5236.47  119832.80  12513.13 122916.40  5765.60  466.206 24.871  475.676 11.191  -9.470551      27.27255  
1 1 1 -3  11  9  o 259.043 5.0007  36356.38   1403.04  38031.47   3742.66  36082.48   1513.41  264.593 13.060  258.055 5.4147  6.538269       14.13766  
1 1 1 -3  11  10 o 331.213 5.7232  59439.34   2053.14  60413.11   4105.87  59114.67   2370.83  333.666 11.361  330.278 6.6275  3.387878       13.15295  
1 1 1 -3  11  11 o 578.930 9.5167  181768.09  5967.36  190145.91  11934.64 178975.41  6890.53  590.916 18.647  574.319 11.077  16.59668       21.68922  
1 1 1 -3  11  12 o 498.086 8.8644  134536.50  4782.16  143519.30  8847.71  130829.30  5683.95  513.672 15.903  491.025 10.688  22.64758       19.16045  
1 1 1 -3  11  13 o 573.199 19.143  179207.20  11884.51 0.0000     0.0000   179207.20  11884.51 ?       ?       573.199 19.143  0.000000       19.14281  
1 1 1 -3  11  14 f 169.736 4.0592  15608.34   746.259  14484.86   1292.81  16169.75   913.886  163.442 7.3030  172.746 4.8844  -9.304565      8.785883  
1 1 1 -3  11  15 o 402.032 7.4221  87678.92   3231.89  87130.95   4236.52  88441.77   4998.59  400.527 9.7658  403.309 11.443  -2.782074      15.04371  
1 1 1 -3  11  16 o 275.232 5.8979  41080.17   1758.18  43653.38   2486.13  38505.67   2486.75  283.550 8.0951  266.262 8.6229  17.28879       11.82733  
1 1 1 -3  11  17 o 308.331 5.7787  51570.96   1929.81  53711.78   2966.79  50000.80   2540.80  314.328 8.7143  303.399 7.7319  10.92953       11.64997  
1 1 1 -3  11  18 o 281.354 5.0253  42934.82   1531.39  43036.24   2165.49  42833.35   2165.92  281.472 7.1032  280.805 7.1214  0.6664734      10.05831  
1 1 1 -3  11  19 o 180.661 3.8021  17693.85   743.979  18234.10   1000.71  17026.22   1112.43  183.327 5.0398  177.098 5.7995  6.228409       7.683294  
1 1 1 -3  11  20 o 88.984  2.9044  4291.04    279.926  4100.74    398.244  4476.89    393.548  86.955  4.2285  90.862  3.9989  -3.907562      5.819939  
1 1 1 -3  11  21 f 133.527 3.1486  9664.49    455.369  9696.03    645.378  9633.22    642.609  133.684 4.4572  133.250 4.4525  0.4334412      6.300174  
1 1 1 -3  11  22 o 182.255 3.6746  18014.91   725.373  18775.08   1027.18  17258.72   1024.49  185.936 5.1005  178.249 5.3065  7.687088       7.360338  
1 1 1 -3  11  23 o 242.374 4.7169  31904.47   1238.28  32560.17   1642.89  31042.04   1884.17  244.598 6.2013  238.603 7.2908  5.994476       9.571415  
1 1 1 -3  11  24 o 114.916 3.0594  7162.71    380.785  7195.01    544.391  7131.77    532.818  115.081 4.3675  114.580 4.2934  0.5007401      6.124408  
1 1 1 -3  11  25 o 48.532  3.6106  1286.47    188.437  1166.29    276.770  1390.32    257.277  45.890  5.6904  50.311  4.7787  -4.420609      7.430855  
1 1 1 -3  11  26 o 145.316 3.2621  11476.63   513.424  11925.99   729.601  11035.82   722.633  147.883 4.5551  142.227 4.6910  5.655914       6.538683  
1 1 1 -3  11  27 o 81.989  2.8057  3653.89    249.151  4250.77    398.611  3271.18    319.185  88.237  4.1709  77.457  3.8046  10.77921       5.645483  
1 1 1 -3  11  28 o 20.100  7.1353  197.861    194.906  233.772    273.357  160.725    277.979  22.659  8.3915  21.202  8.3113  1.456930       11.81078  
1 1 1 -3  11  29 o 46.731  2.1105  1186.64    106.822  1172.81    113.719  1290.38    311.462  46.447  2.2605  47.770  6.1636  -1.323082      6.565047  
1 1 1 -3  11  30 o 47.887  1.7725  1245.53    91.934   1291.70    96.311   771.995    308.435  48.763  1.8236  36.024  8.1015  12.73867       8.304209  
1 1 1 -3  11  31 o 41.249  2.2405  929.590    99.725   911.634    105.144  1090.43    314.694  40.824  2.3884  43.205  6.9614  -2.381653      7.359689  
1 1 1 -3  11  32 o 20.723  2.7632  239.129    60.475   1056.70    296.973  203.759    61.770   42.413  6.6862  19.030  3.1039  23.38292       7.371546  
1 1 1 -3  11  33 o 23.306  1.1945  295.702    30.052   297.606    30.215   120.542    289.751  23.381  1.1972  19.844  8.2265  3.537073       8.313107  
1 1 1 -3  11  34 o 25.539  7.3428  419.695    213.949  397.472    300.934  442.408    304.233  24.785  8.8590  25.811  8.9331  -1.026066      12.58102  
1 1 1 -3  11  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  12  2  o 443.196 14.972  106870.80  7186.95  106870.80  7186.95  0.0000     0.0000   443.196 14.972  ?       ?       0.000000       14.97196  
1 1 1 -3  12  3  o 443.256 14.982  106951.90  7192.55  0.0000     0.0000   106951.90  7192.55  ?       ?       443.256 14.982  0.000000       14.98160  
1 1 1 -3  12  4  o 304.669 5.3423  50307.18   1762.88  50360.01   2493.02  50254.33   2493.17  304.712 7.5538  304.391 7.5622  0.3203735      10.68864  
1 1 1 -3  12  5  o 279.043 4.9584  42202.16   1498.60  41326.84   2119.28  43077.55   2119.39  276.017 7.0890  281.812 6.9435  -5.795258      9.923011  
1 1 1 -3  12  6  o 179.573 3.5571  17470.96   691.848  17257.11   978.451  17684.78   978.391  178.430 5.0629  180.629 5.0010  -2.199448      7.116376  
1 1 1 -3  12  7  o 168.304 3.3852  15345.50   617.091  15916.63   873.088  14775.40   872.309  171.378 4.7036  165.116 4.8777  6.262482       6.776093  
1 1 1 -3  12  8  o 299.388 5.2171  48571.71   1691.74  49151.84   2392.66  47991.77   2392.29  301.077 7.3373  297.498 7.4244  3.578644       10.43823  
1 1 1 -3  12  9  o 336.270 6.3120  61279.65   2298.91  60991.42   4270.25  61397.28   2727.96  335.191 11.762  336.545 7.4839  -1.354004      13.94128  
1 1 1 -3  12  10 o 560.606 9.2831  170424.00  5636.65  172217.09  11272.99 169826.30  6508.70  562.441 18.505  559.496 10.741  2.944275       21.39625  
1 1 1 -3  12  11 o 685.098 11.284  254701.80  8373.30  240250.30  16745.80 259519.59  9668.81  663.174 23.314  691.330 12.913  -28.15570      26.65070  
1 1 1 -3  12  12 o 1088.91 36.299  656900.38  42811.15 0.0000     0.0000   656900.38  42811.15 ?       ?       1088.91 36.299  0.000000       36.29917  
1 1 1 -3  12  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  12  14 o 539.606 10.376  158097.41  6063.98  165020.00  10503.80 154636.80  7426.58  549.943 17.634  533.295 12.857  16.64740       21.82385  
1 1 1 -3  12  15 o 291.121 5.1461  45935.58   1622.65  44479.55   3242.93  46421.87   1874.13  286.099 10.465  292.620 5.9133  -6.520935      12.02035  
1 1 1 -3  12  16 o 342.826 7.6629  63798.31   2845.34  67089.03   6628.66  63055.03   3150.34  349.386 17.573  340.726 8.5365  8.659668       19.53643  
1 1 1 -3  12  17 o 162.812 3.4325  14364.08   605.291  14050.33   855.550  14678.52   856.472  160.974 4.9070  164.537 4.8059  -3.563385      6.868498  
1 1 1 -3  12  18 o 304.069 5.3469  50158.32   1760.95  51216.39   2490.32  49100.20   2490.39  307.001 7.4894  300.570 7.6498  6.431610       10.70564  
1 1 1 -3  12  19 o 303.139 5.3446  49868.03   1754.81  50488.46   2481.54  49247.46   2481.82  304.711 7.5190  300.927 7.6145  3.783844       10.70121  
1 1 1 -3  12  20 o 84.973  2.9352  3912.96    270.136  3635.49    380.263  4195.66    383.823  81.757  4.3095  87.961  4.0288  -6.203384      5.899346  
1 1 1 -3  12  21 o 249.955 5.3117  33923.65   1438.02  34360.88   2034.43  33487.08   2032.90  251.239 7.4763  248.008 7.5680  3.230911       10.63810  
1 1 1 -3  12  22 o 65.843  2.4390  2349.33    173.937  2523.61    208.797  1954.15    314.414  68.234  2.8252  59.793  4.8979  8.440800       5.654274  
1 1 1 -3  12  23 o 433.464 7.7933  102555.60  3658.85  99899.65   5663.08  104458.80  4793.70  425.345 12.293  436.284 10.145  -10.93875      15.93793  
1 1 1 -3  12  24 o 324.335 6.0055  57316.44   2109.65  56956.42   3247.08  57579.43   2775.19  321.941 9.3121  324.358 7.8995  -2.416534      12.21131  
1 1 1 -3  12  25 o 117.871 3.0320  7540.58    387.079  7634.90    551.875  7449.25    543.055  118.474 4.3008  117.027 4.2844  1.447296       6.070637  
1 1 1 -3  12  26 o 108.108 2.9363  6347.96    343.821  6443.63    484.220  6250.69    488.279  108.766 4.1104  107.110 4.2089  1.655701       5.883001  
1 1 1 -3  12  27 o 196.749 4.0880  21129.73   871.148  19426.51   1299.13  22521.31   1174.29  187.588 6.3941  202.556 5.3525  -14.96779      8.338696  
1 1 1 -3  12  28 o 44.817  2.0218  1090.38    98.142   1121.91    103.583  813.678    306.847  45.456  2.1039  37.441  7.8190  8.014378       8.097069  
1 1 1 -3  12  29 o 77.874  2.7676  3303.38    233.435  3109.82    287.717  3676.22    399.321  75.422  3.5221  81.632  4.5342  -6.210068      5.741440  
1 1 1 -3  12  30 o 126.662 3.2577  8775.33    446.923  8673.03    628.836  8879.74    635.303  125.287 4.6340  126.775 4.6267  -1.488174      6.548375  
1 1 1 -3  12  31 o 87.940  2.6728  4223.53    254.577  4249.47    355.546  4196.23    364.679  87.859  3.7363  87.259  3.8586  0.5993423      5.371098  
1 1 1 -3  12  32 o 30.278  6.1238  539.655    193.925  348.995    254.936  801.475    298.748  24.511  8.1832  36.313  7.8264  -11.80256      11.32326  
1 1 1 -3  12  33 o 24.602  1.6669  330.974    44.154   532.435    235.588  323.640    44.951   29.341  7.4111  24.319  1.7176  5.021538       7.607559  
1 1 1 -3  12  34 o 23.269  8.1911  341.277    256.334  26.765     484.134  463.792    302.163  21.468  9.7134  26.271  8.9082  -4.802591      13.17976  
1 1 1 -3  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  13  1  o 90.998  2.5483  4485.04    251.158  4536.41    355.122  4433.64    355.260  91.512  3.5829  90.469  3.6256  1.042831       5.097223  
1 1 1 -3  13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  13  3  o 192.956 3.6327  20169.63   759.208  20661.17   1073.64  19678.01   1073.73  195.262 5.0766  190.557 5.2023  4.705444       7.268818  
1 1 1 -3  13  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  13  5  o 547.089 18.369  163945.30  10884.88 163945.30  10884.88 0.0000     0.0000   547.089 18.369  ?       ?       0.000000       18.36941  
1 1 1 -3  13  6  o 150.523 3.1790  12274.24   518.281  11566.00   732.940  12982.56   732.979  146.087 4.6322  154.781 4.3722  -8.694016      6.369759  
1 1 1 -3  13  7  o 321.722 5.5111  56103.35   1920.39  57629.92   2716.08  54577.32   2715.60  325.931 7.6939  317.166 7.9051  8.764923       11.03119  
1 1 1 -3  13  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  13  9  o 530.776 8.8244  152765.41  5073.02  143946.50  10145.22 155705.59  5857.98  514.145 18.218  535.753 10.095  -21.60767      20.82823  
1 1 1 -3  13  10 o 418.169 7.0536  94770.79   3194.71  92770.58   6388.76  95437.70   3689.05  413.247 14.274  419.586 8.1175  -6.339539      16.42051  
1 1 1 -3  13  11 o 579.011 11.348  181935.30  7116.44  185700.91  18571.69 181287.20  7704.52  580.749 29.624  577.872 12.310  2.876770       32.07940  
1 1 1 -3  13  12 o 424.677 7.1760  97758.17   3300.73  96313.41   6601.69  98239.71   3811.30  420.940 14.480  425.658 8.2669  -4.718658      16.67358  
1 1 1 -3  13  13 o 1053.12 35.190  615601.38  40139.08 0.0000     0.0000   615601.38  40139.08 ?       ?       1053.12 35.190  0.000000       35.18989  
1 1 1 -3  13  14 o 193.115 4.3910  20206.02   918.432  19729.64   1591.11  20444.06   1124.72  190.730 7.7021  194.227 5.3465  -3.496735      9.375896  
1 1 1 -3  13  15 o 653.760 10.790  232324.41  7640.20  214925.00  15278.83 238125.91  8822.45  624.892 22.574  661.501 12.314  -36.60895      25.71435  
1 1 1 -3  13  16 o 527.705 8.7865  151285.59  5022.02  166638.30  10042.51 146165.91  5799.23  551.519 16.812  518.386 10.329  33.13281       19.73110  
1 1 1 -3  13  17 o 493.041 10.680  132430.50  5703.03  131125.50  8877.62  133347.50  7441.66  488.484 16.779  493.725 13.916  -5.240448      21.79914  
1 1 1 -3  13  18 o 304.821 6.1862  50437.66   2042.40  55008.69   3539.05  48155.05   2500.89  317.673 10.286  297.642 7.7576  20.03079       12.88323  
1 1 1 -3  13  19 o 256.339 4.9341  35648.35   1369.91  36224.89   2091.60  35215.24   1812.84  258.106 7.4819  254.602 6.5740  3.504211       9.959711  
1 1 1 -3  13  20 o 162.837 3.5684  14374.85   629.356  14179.53   852.694  14608.59   932.774  161.653 4.8701  164.054 5.2495  -2.401352      7.160693  
1 1 1 -3  13  21 o 68.132  3.1311  2516.18    231.056  2520.69    324.318  2511.53    329.262  68.019  4.4263  67.887  4.5035  0.1312408      6.314612  
1 1 1 -3  13  22 o 79.629  3.0217  3437.34    260.610  3665.96    371.706  3216.31    365.490  82.090  4.1946  76.857  4.4090  5.232544       6.085551  
1 1 1 -3  13  23 o 213.714 4.0896  24789.07   946.629  24836.46   1339.37  24741.77   1338.11  213.683 5.7871  213.275 5.7927  0.4086151      8.188143  
1 1 1 -3  13  24 o 106.458 2.8126  6145.94    324.312  6875.11    491.117  5582.09    431.868  112.515 4.0300  101.391 3.9326  11.12437       5.630829  
1 1 1 -3  13  25 o 90.148  2.7289  4409.06    266.447  4340.75    356.389  4495.63    401.206  89.381  3.6814  90.928  4.0738  -1.546944      5.490760  
1 1 1 -3  13  26 o 148.887 3.4038  12053.25   548.903  12102.38   806.208  12010.79   749.432  148.843 5.0009  148.362 4.6638  0.4806061      6.838119  
1 1 1 -3  13  27 o 66.504  2.6338  2403.16    189.719  2388.27    221.113  2444.73    369.377  66.257  3.0811  66.571  5.1632  -0.3140411     6.012688  
1 1 1 -3  13  28 o 26.735  1.7081  389.319    49.202   387.279    49.939   456.852    287.315  26.661  1.7389  28.276  8.6089  -1.614786      8.782776  
1 1 1 -3  13  29 o 33.945  1.2336  624.732    45.354   637.964    45.940   116.633    284.675  34.302  1.2365  20.391  8.2694  13.91155       8.361366  
1 1 1 -3  13  30 o 31.157  2.4024  531.703    80.445   505.833    83.396   877.996    305.121  30.362  2.5599  38.648  7.5599  -8.286270      7.981585  
1 1 1 -3  13  31 o 30.220  1.1118  495.304    36.392   503.841    36.689   -25.0550   286.448  30.479  1.1114  17.818  7.7974  12.66156       7.876198  
1 1 1 -3  13  32 o 34.101  2.1086  636.206    77.501   624.214    80.153   808.471    303.800  33.761  2.2041  36.424  7.9259  -2.662868      8.226666  
1 1 1 -3  13  33 o 15.623  6.9753  -53.8632   240.576  29.680     460.687  -85.1887   282.096  22.098  9.7711  16.486  7.4409  5.612093       12.28176  
1 1 1 -3  13  34 o 24.519  2.2380  332.867    58.780   306.653    484.289  333.259    59.218   24.539  10.431  24.530  2.2541  0.9418488E-02  10.67221  
1 1 1 -3  13  35 o 34.707  14.468  1408.30    903.456  0.0000     0.0000   1408.30    903.456  ?       ?       34.707  14.468  0.000000       14.46847  
1 1 1 -3  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  14  1  o 318.493 5.9549  54977.92   2054.22  56752.27   3559.36  54091.75   2515.42  323.343 10.163  315.849 7.3529  7.494049       12.54432  
1 1 1 -3  14  2  o 210.711 4.0249  24053.75   918.565  23438.55   1298.82  24669.36   1299.27  207.956 5.7664  213.351 5.6226  -5.394440      8.053905  
1 1 1 -3  14  3  o 146.088 3.0914  11560.66   489.156  11458.42   691.649  11662.98   691.894  145.422 4.3912  146.715 4.3541  -1.292999      6.183909  
1 1 1 -3  14  4  o 367.154 6.2934  73094.73   2502.67  73396.70   3539.17  72792.71   3539.44  367.681 8.8871  366.161 8.9247  1.519867       12.59488  
1 1 1 -3  14  5  o 422.401 8.2482  96854.72   3773.57  96518.98   4621.52  97526.31   6536.42  421.415 10.125  422.864 14.271  -1.449127      17.49846  
1 1 1 -3  14  6  o 434.709 7.3467  102524.40  3459.06  102403.70  4891.85  102645.00  4891.85  434.056 10.405  434.569 10.393  -0.5129395     14.70671  
1 1 1 -3  14  7  o 403.429 7.3128  88269.95   3195.35  89233.68   4943.96  87578.57   4187.48  405.218 11.265  401.630 9.6262  3.587280       14.81742  
1 1 1 -3  14  8  o 474.420 7.8875  122043.70  4052.97  123051.70  5731.92  121035.70  5731.60  476.080 11.116  472.154 11.208  3.925720       15.78550  
1 1 1 -3  14  9  o 147.152 3.5904  11729.13   572.246  10887.28   987.989  12154.13   701.985  141.741 6.4356  149.788 4.3269  -8.047028      7.754936  
1 1 1 -3  14  10 o 350.041 6.4599  66398.21   2449.14  65180.77   6790.34  66580.27   2625.89  345.579 18.206  350.504 6.9169  -4.925201      19.47545  
1 1 1 -3  14  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  14  12 o 690.212 11.389  258591.30  8513.96  253638.50  17027.96 260242.30  9831.07  681.120 23.082  692.151 13.114  -11.03015      26.54693  
1 1 1 -3  14  13 o 537.380 12.630  156899.70  7350.86  151782.00  10393.70 162021.30  10397.68 527.620 18.188  545.243 17.607  -17.62201      25.31377  
1 1 1 -3  14  14 o 598.420 11.724  194617.00  7599.11  182419.80  19846.24 196712.50  8226.01  572.010 32.164  601.464 12.627  -29.45343      34.55390  
1 1 1 -3  14  15 o 784.491 12.902  335107.31  10962.59 322867.19  21924.11 339187.81  12658.72 763.368 26.517  788.568 14.821  -25.19983      30.37755  
1 1 1 -3  14  16 o 82.023  3.0474  3644.89    270.731  3525.72    523.940  3688.29    316.218  80.397  6.0614  82.505  3.5387  -2.107155      7.018762  
1 1 1 -3  14  17 o 103.605 2.9792  5815.75    334.308  6036.40    661.810  5740.15    387.363  105.322 5.8242  102.921 3.4749  2.401154       6.782052  
1 1 1 -3  14  18 o 289.684 5.4807  45530.59   1719.62  43963.87   4638.72  45780.21   1851.55  282.495 15.217  290.435 5.8859  -7.940643      16.31546  
1 1 1 -3  14  19 o 95.772  3.3719  4971.45    349.773  5539.94    607.926  4690.14    427.646  100.873 5.5860  93.000  4.2455  7.872292       7.016273  
1 1 1 -3  14  20 o 101.048 3.4157  5535.04    373.836  6022.05    649.064  5293.28    457.305  105.153 5.7205  98.789  4.2739  6.363449       7.140746  
1 1 1 -3  14  21 o 117.484 3.5138  7483.51    447.125  7432.57    768.434  7509.58    549.777  116.790 6.0959  117.654 4.3143  -0.8639832     7.468132  
1 1 1 -3  14  22 o 108.010 2.9013  6323.78    339.417  5982.85    500.190  6614.74    462.087  104.995 4.3984  110.427 3.8635  -5.432526      5.854277  
1 1 1 -3  14  23 o 141.602 3.2602  10874.21   500.015  11152.84   708.543  10597.80   705.721  143.307 4.5649  139.687 4.6645  3.620041       6.526551  
1 1 1 -3  14  24 o 298.366 5.2713  48446.03   1703.49  49010.13   2409.49  47882.30   2408.70  299.380 7.4308  295.882 7.5161  3.497650       10.56922  
1 1 1 -3  14  25 o 57.575  3.2688  1805.74    203.000  1733.68    295.865  1869.84    279.044  56.201  4.9098  58.450  4.4410  -2.249130      6.620309  
1 1 1 -3  14  26 o 153.869 3.3355  12872.40   555.880  13897.91   789.540  11864.40   782.769  159.605 4.5673  147.384 4.9036  12.22108       6.701137  
1 1 1 -3  14  27 o 136.758 3.1938  10178.67   473.076  9230.96    663.394  11159.29   674.814  129.858 4.7167  142.889 4.3603  -13.03189      6.423301  
1 1 1 -3  14  28 o 64.715  2.4317  2276.20    170.445  2383.46    194.662  1923.82    352.848  66.193  2.7152  58.789  5.6095  7.403568       6.232059  
1 1 1 -3  14  29 o 74.634  2.9790  3037.29    240.814  3170.16    308.129  2828.78    386.007  76.100  3.7383  71.414  5.0224  4.686096       6.260978  
1 1 1 -3  14  30 o 63.272  2.7595  2183.91    189.109  2219.41    223.370  2094.09    355.333  63.614  3.2528  61.105  5.4254  2.508904       6.325791  
1 1 1 -3  14  31 o 45.503  2.0913  1127.18    103.066  1151.89    109.125  923.002    313.688  45.987  2.1909  39.372  7.6315  6.614983       7.939759  
1 1 1 -3  14  32 o 17.222  1.8463  163.246    33.902   163.113    34.194   170.978    260.088  17.212  1.8640  20.402  8.0262  -3.189400      8.239799  
1 1 1 -3  14  33 o 3.7985  1.9036  -95.8655   33.558   -102.1819  33.830   292.864    265.393  3.7341  1.8768  22.854  8.2997  -19.11959      8.509290  
1 1 1 -3  14  34 o 21.974  8.3770  281.222    276.751  0.0000     0.0000   281.222    276.751  ?       ?       21.974  8.3770  0.000000       8.377017  
1 1 1 -3  14  35 o 21.971  10.752  -509.3020  856.453  0.0000     0.0000   -509.3020  856.453  ?       ?       21.971  10.752  0.000000       10.75192  
1 1 1 -3  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  15  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  15  3  o 498.468 16.769  135671.80  9053.56  135671.80  9053.56  0.0000     0.0000   498.468 16.769  ?       ?       0.000000       16.76918  
1 1 1 -3  15  4  o 412.601 14.039  92797.69   6273.96  92797.69   6273.96  0.0000     0.0000   412.601 14.039  ?       ?       0.000000       14.03915  
1 1 1 -3  15  5  o 480.848 11.429  125787.90  5952.32  125787.90  5952.32  0.0000     0.0000   480.848 11.429  ?       ?       0.000000       11.42899  
1 1 1 -3  15  6  o 407.337 6.8518  89991.19   3022.93  86057.70   4274.91  93925.25   4275.22  398.010 9.9166  415.860 9.4916  -17.85019      13.72701  
1 1 1 -3  15  7  o 269.615 4.8106  39389.73   1404.81  39375.64   1986.88  39403.81   1986.53  269.488 6.8071  269.585 6.8035  -0.9655762E-01 9.624110  
1 1 1 -3  15  8  o 571.785 10.977  177458.20  6798.02  167065.20  11774.71 182654.41  8325.78  553.403 19.644  579.794 13.258  -26.39008      23.69976  
1 1 1 -3  15  9  o 638.703 13.713  221572.00  9486.09  219603.80  10417.54 231125.09  22951.31 635.657 15.131  647.050 32.857  -11.39233      36.17363  
1 1 1 -3  15  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  15  11 o 782.081 14.866  332449.09  12592.46 343627.91  21810.38 326859.41  15422.69 792.358 25.414  774.735 18.380  17.62317       31.36365  
1 1 1 -3  15  12 o 100.869 3.2173  5511.13    351.493  0.0000     0.0000   5511.13    351.493  ?       ?       100.869 3.2173  0.000000       3.217263  
1 1 1 -3  15  13 o 411.292 21.470  92739.15   9531.30  92739.15   9531.30  0.0000     0.0000   411.292 21.470  ?       ?       0.000000       21.47040  
1 1 1 -3  15  14 o 388.461 7.0355  81828.47   2960.13  76004.78   8270.15  82684.19   3170.16  371.991 20.607  390.453 7.4962  -18.46146      21.92788  
1 1 1 -3  15  15 o 306.913 5.6480  51066.51   1877.49  55370.62   3495.81  49321.78   2225.72  319.207 10.111  301.550 6.8146  17.65680       12.19331  
1 1 1 -3  15  16 o 364.134 6.3072  71929.59   2487.54  72718.96   4972.26  71666.08   2872.90  365.197 12.571  363.360 7.2998  1.836395       14.53644  
1 1 1 -3  15  17 o 419.676 7.6187  95681.71   3463.12  92327.20   9738.81  96167.29   3705.30  406.967 22.178  420.648 8.1327  -13.68057      23.62191  
1 1 1 -3  15  18 o 338.696 5.8777  62259.95   2156.18  63840.96   4310.58  61732.36   2490.08  341.881 11.641  337.131 6.8194  4.750549       13.49136  
1 1 1 -3  15  19 o 236.214 4.4053  30260.57   1127.06  31347.73   2251.28  29896.96   1301.97  239.926 8.6633  234.731 5.1211  5.194321       10.06370  
1 1 1 -3  15  20 o 274.128 4.9453  40779.34   1468.31  42212.42   2933.74  40300.39   1696.02  278.082 9.7404  272.415 5.7481  5.666809       11.31005  
1 1 1 -3  15  21 o 45.417  4.0630  1127.72    197.751  943.653    376.668  1197.76    232.348  40.823  8.7796  46.751  4.6502  -5.927917      9.935073  
1 1 1 -3  15  22 o 81.894  3.5371  3637.15    313.740  3746.70    543.224  3582.31    384.318  82.782  6.1016  81.126  4.3902  1.655556       7.516885  
1 1 1 -3  15  23 o 188.733 4.7589  19349.95   972.799  20773.81   2025.23  18922.89   1109.13  194.632 9.6071  186.544 5.4895  8.088181       11.06483  
1 1 1 -3  15  24 o 44.323  4.6825  1079.87    221.386  782.994    398.114  1212.78    266.369  37.045  9.7787  46.904  5.3384  -9.859291      11.14100  
1 1 1 -3  15  25 o 122.022 3.5596  8089.56    470.441  7394.89    814.941  8436.75    576.130  116.050 6.5098  124.525 4.2716  -8.474724      7.786171  
1 1 1 -3  15  26 o 83.533  3.5008  3795.74    316.735  4352.76    632.790  3609.53    365.865  88.708  6.6341  81.278  4.1700  7.429222       7.835881  
1 1 1 -3  15  27 o 76.039  4.0334  3165.00    331.000  3461.83    597.497  3033.57    397.583  78.689  7.0865  74.232  4.9738  4.457481       8.657801  
1 1 1 -3  15  28 o 44.084  5.6386  1089.43    263.059  544.935    479.590  1323.74    314.610  31.849  11.205  48.525  6.1222  -16.67617      12.76834  
1 1 1 -3  15  29 o 57.471  2.4385  1796.96    151.786  1878.57    176.700  1567.20    296.477  58.721  2.7783  52.991  5.2339  5.729427       5.925612  
1 1 1 -3  15  30 f 46.207  1.9850  1160.70    99.345   1206.70    108.521  922.606    246.867  47.101  2.1272  40.240  5.8344  6.860985       6.210067  
1 1 1 -3  15  31 o 16.679  2.7562  155.963    48.052   142.355    48.875   550.218    263.074  15.882  2.9498  30.191  7.9394  -14.30851      8.469646  
1 1 1 -3  15  32 o 25.137  1.7120  345.216    46.331   344.518    47.054   367.431    265.411  25.107  1.7411  25.055  8.3490  0.5229378E-01  8.528624  
1 1 1 -3  15  33 o 76.187  3.2308  3207.99    266.601  3394.18    323.433  2813.35    470.882  78.051  3.8259  69.155  6.3579  8.896309       7.420266  
1 1 1 -3  15  34 o 20.650  8.2021  219.618    274.033  0.0000     0.0000   219.618    274.033  ?       ?       20.650  8.2021  0.000000       8.202078  
1 1 1 -3  15  35 o 26.918  12.474  444.038    865.033  0.0000     0.0000   444.038    865.033  ?       ?       26.918  12.474  0.000000       12.47434  
1 1 1 -3  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  16  1  o 43.876  1.8777  1042.62    89.231   1104.40    161.298  1015.38    107.114  45.029  3.3309  43.236  2.2955  1.792442       4.045288  
1 1 1 -3  16  2  o 204.221 3.8028  22595.47   841.158  22982.29   1189.49  22208.53   1189.67  205.920 5.3332  202.421 5.4263  3.499054       7.608393  
1 1 1 -3  16  3  o 455.337 15.399  113142.20  7594.35  113142.20  7594.35  0.0000     0.0000   455.337 15.399  ?       ?       0.000000       15.39882  
1 1 1 -3  16  4  o 256.723 4.4912  35716.61   1248.82  34129.91   1765.71  37304.71   1766.49  250.861 6.4986  262.285 6.2182  -11.42430      8.994334  
1 1 1 -3  16  5  o 284.908 5.0315  43997.25   1552.66  43904.63   2195.65  44089.89   2195.94  284.485 7.1258  285.086 7.1117  -0.6005859     10.06746  
1 1 1 -3  16  6  o 332.043 5.7397  59766.22   2064.20  58383.10   2919.11  61149.55   2919.33  328.009 8.2166  335.706 8.0289  -7.696594      11.48809  
1 1 1 -3  16  7  o 370.938 6.3119  74583.68   2535.88  75391.86   3586.37  73775.58   3586.19  372.773 8.8826  368.748 8.9791  4.024841       12.63032  
1 1 1 -3  16  8  o 141.415 3.0750  10831.95   470.984  11127.60   667.465  10538.76   664.687  143.321 4.2998  139.476 4.3999  3.844711       6.152060  
1 1 1 -3  16  9  o 175.560 3.4583  16694.45   657.594  17427.15   930.782  15964.28   929.178  179.357 4.7914  171.661 4.9975  7.695404       6.923353  
1 1 1 -3  16  10 o 735.201 12.100  293383.00  9635.06  301128.81  19269.84 290800.91  11125.67 742.395 23.965  731.672 14.039  10.72284       27.77418  
1 1 1 -3  16  11 o 224.367 4.3652  27270.59   1060.80  24975.44   2742.03  27674.55   1150.37  214.173 11.867  226.016 4.6993  -11.84335      12.76348  
1 1 1 -3  16  12 o 497.010 9.5879  134001.09  5161.28  0.0000     0.0000   134001.09  5161.28  ?       ?       497.010 9.5879  0.000000       9.587880  
1 1 1 -3  16  13 o 581.232 19.410  184433.30  12219.16 184433.30  12219.16 0.0000     0.0000   581.232 19.410  ?       ?       0.000000       19.40983  
1 1 1 -3  16  14 o 326.247 5.6851  57692.23   2008.87  55513.20   4013.85  58420.45   2320.39  319.581 11.596  328.254 6.5265  -8.672852      13.30654  
1 1 1 -3  16  15 o 397.918 6.7769  85885.09   2920.77  87062.59   5840.31  85492.38   3372.85  399.697 13.491  396.900 7.8460  2.797089       15.60636  
1 1 1 -3  16  16 o 134.948 3.1129  9866.47    454.991  9262.00    896.717  10076.05   528.008  130.661 6.3363  136.365 3.5749  -5.703735      7.275269  
1 1 1 -3  16  17 o 385.521 6.9031  80700.03   2882.45  73380.09   8039.40  81779.83   3087.74  363.380 20.510  388.024 7.3470  -24.64365      21.78641  
1 1 1 -3  16  18 f 493.240 8.2787  132333.41  4422.72  131497.70  8843.93  132612.09  5107.21  488.389 16.719  493.399 9.5568  -5.010315      19.25765  
1 1 1 -3  16  19 o 230.527 4.4595  28822.42   1113.46  33307.81   2089.97  27044.72   1315.74  247.437 7.7984  223.223 5.4420  24.21364       9.509496  
1 1 1 -3  16  20 o 135.433 3.2046  9941.81    470.074  10588.44   932.608  9721.58    544.270  139.604 6.1678  133.903 3.7528  5.700928       7.219810  
1 1 1 -3  16  21 o 98.990  2.9459  5311.09    315.851  4967.76    543.966  5485.72    387.949  95.505  5.2792  100.585 3.5610  -5.080315      6.367911  
1 1 1 -3  16  22 o 66.056  3.3881  2372.30    241.590  2562.68    466.489  2302.53    282.414  68.338  6.3761  65.020  4.0301  3.317772       7.542916  
1 1 1 -3  16  23 o 191.269 3.8735  19853.60   802.456  21400.00   1590.31  19325.37   929.459  198.028 7.4145  188.633 4.5493  9.395355       8.698917  
1 1 1 -3  16  24 o 92.147  2.9353  4605.63    292.955  4508.45    476.270  4664.78    371.559  90.917  4.8541  92.694  3.7009  -1.776581      6.104041  
1 1 1 -3  16  25 o 94.887  2.6992  4885.22    277.400  4971.36    613.315  4863.06    311.033  95.184  5.9795  94.648  3.0341  0.5357056      6.705202  
1 1 1 -3  16  26 o 174.792 3.4987  16621.21   662.362  20215.66   1352.52  15487.18   759.695  191.696 6.5142  168.565 4.1610  23.13078       7.729750  
1 1 1 -3  16  27 f 185.718 3.8495  18817.48   774.344  19482.88   1548.02  18595.42   894.263  186.957 7.6448  184.380 4.4780  2.577347       8.859748  
1 1 1 -3  16  28 o 141.127 3.4748  10867.80   531.144  12294.83   1045.89  10371.86   616.569  148.720 6.4930  137.654 4.1354  11.06566       7.698118  
1 1 1 -3  16  29 o 66.717  3.8471  2446.33    276.819  2563.57    549.060  2406.37    320.538  66.874  7.7224  65.987  4.5119  0.8871765      8.943862  
1 1 1 -3  16  30 o 24.969  1.2469  338.153    33.721   364.627    49.030   314.389    46.452   25.849  1.7618  23.989  1.8010  1.860075       2.519369  
1 1 1 -3  16  31 o 33.637  1.9648  617.716    71.273   611.628    73.687   706.115    280.791  33.460  2.0431  34.272  7.7464  -0.8126488     8.011342  
1 1 1 -3  16  32 o 33.847  2.0751  626.663    75.706   613.810    78.695   786.282    277.323  33.480  2.1821  36.162  7.3314  -2.682674      7.649229  
1 1 1 -3  16  33 o 21.024  1.3211  241.159    29.931   245.973    30.113   -152.7637  272.388  21.235  1.3158  15.300  7.0583  5.934749       7.179922  
1 1 1 -3  16  34 o 14.732  6.8509  -148.6019  264.391  0.0000     0.0000   -148.6019  264.391  ?       ?       14.732  6.8509  0.000000       6.850868  
1 1 1 -3  16  35 o 23.125  11.173  -207.9995  847.537  0.0000     0.0000   -207.9995  847.537  ?       ?       23.125  11.173  0.000000       11.17260  
1 1 1 -3  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  17  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  17  4  o 583.497 19.570  186844.50  12368.18 186844.50  12368.18 0.0000     0.0000   583.497 19.570  ?       ?       0.000000       19.57028  
1 1 1 -3  17  5  o 216.155 3.9922  25316.35   934.644  25546.80   1321.59  25085.77   1321.98  217.081 5.6209  215.111 5.6741  1.969818       7.986818  
1 1 1 -3  17  6  o 185.046 3.6307  18550.56   727.669  18107.21   1028.98  18994.08   1029.18  182.786 5.1975  187.212 5.0756  -4.426102      7.264679  
1 1 1 -3  17  7  o 226.206 4.2003  27721.21   1029.10  27870.46   1455.45  27572.00   1455.28  226.772 5.9257  225.554 5.9570  1.218384       8.402315  
1 1 1 -3  17  8  o 291.578 5.5322  46065.12   1747.13  47414.97   2301.69  44230.01   2683.70  295.767 7.1850  285.605 8.6756  10.16272       11.26455  
1 1 1 -3  17  9  o 479.587 9.2699  124721.10  4815.16  126844.20  8341.16  123659.90  5896.97  483.038 15.943  477.383 11.405  5.654663       19.60248  
1 1 1 -3  17  10 o 555.943 10.635  167674.80  6404.03  158415.09  11091.03 172306.00  7843.69  539.333 18.986  563.339 12.855  -24.00543      22.92910  
1 1 1 -3  17  11 f 196.650 3.7749  20947.49   804.017  19952.65   1604.95  21280.80   928.995  191.850 7.7238  198.201 4.3275  -6.350876      8.853489  
1 1 1 -3  17  12 o 440.334 8.5426  105148.20  4074.23  0.0000     0.0000   105148.20  4074.23  ?       ?       440.334 8.5426  0.000000       8.542649  
1 1 1 -3  17  13 o 148.032 6.5344  11878.44   1047.68  11878.44   1047.68  0.0000     0.0000   148.032 6.5344  ?       ?       0.000000       6.534383  
1 1 1 -3  17  14 f 692.660 11.388  260780.59  8543.49  250285.00  17085.68 264279.81  9865.42  674.614 23.383  696.887 13.070  -22.27264      26.78828  
1 1 1 -3  17  15 o 578.336 9.5730  181726.20  5996.49  176226.80  11990.93 183560.09  6924.55  566.606 19.539  580.943 11.005  -14.33734      22.42498  
1 1 1 -3  17  16 o 137.744 3.3121  10280.26   494.133  10737.49   948.943  10110.15   578.795  140.685 6.2276  136.586 3.9124  4.098587       7.354620  
1 1 1 -3  17  17 o 541.591 8.9614  159561.09  5256.75  140706.30  10510.72 165850.50  6070.51  504.539 19.234  551.811 10.157  -47.27219      21.75103  
1 1 1 -3  17  18 o 270.116 5.4726  39590.73   1601.09  37230.56   3937.94  40058.15   1752.48  260.160 14.027  271.657 5.9561  -11.49689      15.23921  
1 1 1 -3  17  19 o 167.176 3.5095  15149.29   635.466  14254.65   1258.52  15455.43   736.209  161.923 7.1760  168.831 4.0260  -6.908173      8.228247  
1 1 1 -3  17  20 o 254.808 4.6719  35227.11   1289.38  37408.42   2575.69  34497.69   1489.44  261.901 9.0800  252.071 5.4554  9.830246       10.59284  
1 1 1 -3  17  21 o 111.987 3.0343  6797.74    368.042  7194.23    736.161  6665.61    424.964  114.910 5.9351  110.876 3.5387  4.034653       6.909993  
1 1 1 -3  17  22 o 61.367  2.4373  2040.86    162.001  2273.26    199.566  1591.80    277.408  64.759  2.8452  53.932  4.7992  10.82727       5.579196  
1 1 1 -3  17  23 o 173.439 3.8001  16324.03   713.854  14252.93   1353.31  17122.46   840.261  161.544 7.7346  177.572 4.3689  -16.02802      8.883182  
1 1 1 -3  17  24 f 97.844  3.1027  5193.97    328.809  4618.13    639.486  5400.92    383.368  91.760  6.4760  99.747  3.5485  -7.987091      7.384467  
1 1 1 -3  17  25 o 107.964 2.9116  6326.80    340.467  5874.24    638.922  6506.26    402.351  103.541 5.7194  109.439 3.3944  -5.898605      6.650849  
1 1 1 -3  17  26 o 83.003  3.0966  3744.64    278.390  4461.11    619.129  3563.06    311.675  89.846  6.4042  80.919  3.5562  8.926888       7.325337  
1 1 1 -3  17  27 o 43.935  4.9491  1071.23    231.406  383.855    487.253  1271.41    262.952  29.387  11.136  47.865  5.1533  -18.47857      12.27078  
1 1 1 -3  17  28 o 57.401  4.1917  1813.58    258.803  2387.37    520.234  1624.88    298.339  64.842  7.5487  54.088  5.1550  10.75453       9.140971  
1 1 1 -3  17  29 o 112.930 3.3214  6966.96    406.260  7613.90    808.438  6748.40    469.902  116.517 6.4309  110.959 3.9100  5.557281       7.526276  
1 1 1 -3  17  30 o 32.720  2.1646  584.988    76.276   322.774    469.197  592.106    77.305   27.328  10.771  32.917  2.1807  -5.589024      10.98944  
1 1 1 -3  17  31 o 89.684  2.7533  4396.73    267.447  4531.58    452.585  4324.38    331.524  90.165  4.6502  88.708  3.4505  1.457161       5.790567  
1 1 1 -3  17  32 o 57.090  1.8825  1774.38    116.406  1942.67    172.812  1634.60    157.497  59.577  2.6781  54.653  2.6607  4.923836       3.775100  
1 1 1 -3  17  33 o 20.262  1.4671  224.464    31.979   264.002    45.514   185.913    44.942   21.911  1.9378  18.286  2.3215  3.625217       3.023958  
1 1 1 -3  17  34 o 17.551  7.6187  52.708     268.784  0.0000     0.0000   52.708     268.784  ?       ?       17.551  7.6187  0.000000       7.618666  
1 1 1 -3  17  35 o 22.089  10.765  -398.1166  833.226  0.0000     0.0000   -398.1166  833.226  ?       ?       22.089  10.765  0.000000       10.76537  
1 1 1 -3  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  18  1  f 292.697 5.0575  46434.17   1603.34  45267.85   2267.44  47600.54   2267.49  288.871 7.2471  296.233 7.0671  -7.361786      10.12247  
1 1 1 -3  18  2  o 498.202 16.780  135678.50  9054.68  135678.50  9054.68  0.0000     0.0000   498.202 16.780  ?       ?       0.000000       16.78022  
1 1 1 -3  18  3  o 395.632 9.5225  85034.04   4080.50  83655.31   5770.50  86412.96   5770.91  391.771 13.599  398.216 13.380  -6.445618      19.07773  
1 1 1 -3  18  4  o 417.371 8.1620  94550.24   3689.67  97774.48   4519.16  88104.02   6389.95  424.212 9.8357  401.884 14.680  22.32852       17.67042  
1 1 1 -3  18  5  o 477.487 11.317  123954.40  5852.61  126142.80  8277.51  121766.80  8276.17  480.772 15.896  472.294 16.179  8.477753       22.68129  
1 1 1 -3  18  6  o 269.322 4.7692  39303.54   1391.19  39917.08   1967.44  38690.00   1967.43  271.341 6.6945  267.134 6.7999  4.207886       9.542235  
1 1 1 -3  18  7  o 482.289 8.0234  126123.80  4191.16  127167.60  5927.31  125080.00  5927.08  483.982 11.307  479.983 11.401  3.998932       16.05734  
1 1 1 -3  18  8  o 635.191 14.875  219270.30  10233.82 218805.59  14473.44 219734.91  14472.16 633.392 21.097  634.746 21.051  -1.353577      29.80312  
1 1 1 -3  18  9  o 233.779 4.5326  29606.38   1147.68  29299.48   1749.17  29838.38   1520.80  232.516 6.9456  234.666 5.9835  -2.150452      9.167500  
1 1 1 -3  18  10 o 287.124 5.0735  44663.84   1577.80  45690.18   2231.72  43638.19   2230.96  290.348 7.0966  283.748 7.2592  6.600006       10.15176  
1 1 1 -3  18  11 o 397.891 6.7584  85803.91   2912.59  86928.37   5824.52  85428.98   3363.29  400.028 13.443  396.968 7.8224  3.060028       15.55336  
1 1 1 -3  18  12 o 266.309 6.8377  38441.78   1972.28  0.0000     0.0000   38441.78   1972.28  ?       ?       266.309 6.8377  0.000000       6.837717  
1 1 1 -3  18  13 o 877.377 29.253  425055.09  27798.93 425055.09  27798.93 0.0000     0.0000   877.377 29.253  ?       ?       0.000000       29.25310  
1 1 1 -3  18  14 o 163.433 3.4403  14470.11   608.977  11744.92   1211.55  15391.41   704.433  146.944 7.6387  168.548 3.8587  -21.60472      8.557999  
1 1 1 -3  18  15 o 230.375 4.2460  28760.60   1059.45  30838.40   2113.08  28062.90   1224.47  238.337 8.1857  227.535 4.9686  10.80141       9.575599  
1 1 1 -3  18  16 o 447.116 8.0310  108590.60  3889.19  112677.60  7200.26  106907.00  4621.35  453.863 14.647  443.345 9.6240  10.51831       17.52599  
1 1 1 -3  18  17 o 324.250 6.0711  57056.78   2132.15  52758.66   3962.78  58808.01   2529.49  310.905 11.768  329.063 7.0971  -18.15784      13.74246  
1 1 1 -3  18  18 o 216.924 4.1119  25512.02   966.099  24694.03   1924.32  25787.68   1117.08  213.044 8.3395  218.053 4.7299  -5.009109      9.587436  
1 1 1 -3  18  19 o 98.697  2.8875  5278.68    308.666  5422.35    542.136  5209.77    375.463  99.840  5.0296  98.035  3.5360  1.804909       6.148195  
1 1 1 -3  18  20 o 221.934 4.1979  26714.77   1009.09  25098.97   2008.51  27260.31   1167.07  214.590 8.6416  224.136 4.8074  -9.546280      9.888838  
1 1 1 -3  18  21 o 557.064 9.3297  169491.59  5629.17  160982.91  11255.67 172329.59  6500.52  535.399 19.410  560.959 10.699  -25.56024      22.16337  
1 1 1 -3  18  22 o 169.117 3.5840  15512.02   656.487  16538.44   1305.81  15164.84   759.440  174.265 6.9183  167.167 4.1944  7.097809       8.090492  
1 1 1 -3  18  23 o 113.449 3.0428  6979.55    373.893  6098.73    699.956  7331.22    442.279  105.655 6.1431  116.246 3.5127  -10.59104      7.076526  
1 1 1 -3  18  24 o 30.268  5.9844  516.869    189.241  444.046    356.026  545.545    223.415  29.099  9.6685  31.003  6.8371  -1.904446      11.84169  
1 1 1 -3  18  25 f 68.092  2.6120  2515.68    192.636  2400.05    468.295  2539.23    211.345  65.847  6.6577  68.398  2.8528  -2.551399      7.243183  
1 1 1 -3  18  26 o 104.537 2.9183  5937.71    330.426  7410.19    601.602  5301.63    395.406  116.461 4.7693  98.680  3.6995  17.78078       6.035953  
1 1 1 -3  18  27 o 100.452 3.2464  5494.38    353.207  5352.39    717.459  5539.81    405.787  98.031  6.7992  100.781 3.7175  -2.750130      7.749084  
1 1 1 -3  18  28 o 63.930  3.8987  2243.08    268.663  1785.45    536.161  2396.51    310.451  55.272  9.2853  65.978  4.3690  -10.70601      10.26187  
1 1 1 -3  18  29 o 69.289  2.8353  2616.75    212.783  2984.07    567.370  2556.64    229.536  72.359  7.3411  68.446  3.0962  3.912865       7.967288  
1 1 1 -3  18  30 f 52.840  4.2886  1549.59    243.327  2092.74    511.969  1391.09    276.560  59.778  8.1173  49.759  5.2088  10.01979       9.644756  
1 1 1 -3  18  31 o 63.669  2.7044  2215.53    186.496  2243.34    229.179  2161.01    320.878  63.836  3.3262  62.103  4.8079  1.732460       5.846278  
1 1 1 -3  18  32 o 20.003  1.5496  218.768    33.311   220.557    33.582   109.218    262.782  20.085  1.5559  19.213  7.8862  0.8720169      8.038226  
1 1 1 -3  18  33 o 27.724  1.3721  417.902    41.200   423.570    41.662   166.676    277.387  27.911  1.3782  20.241  8.1788  7.670210       8.294136  
1 1 1 -3  18  34 o 25.993  1.2090  367.498    34.037   0.0000     0.0000   367.498    34.037   ?       ?       25.993  1.2090  0.000000       1.209020  
1 1 1 -3  18  35 o 24.517  11.643  89.219     837.276  0.0000     0.0000   89.219     837.276  ?       ?       24.517  11.643  0.000000       11.64323  
1 1 1 -3  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  19  1  o 326.149 6.5235  57689.76   2304.47  58087.45   3990.34  57490.75   2822.77  326.803 11.273  325.467 8.0075  1.336456       13.82783  
1 1 1 -3  19  2  o 522.127 17.563  149219.00  9932.02  149219.00  9932.02  0.0000     0.0000   522.127 17.563  ?       ?       0.000000       17.56270  
1 1 1 -3  19  3  o 365.866 6.1377  72583.87   2432.19  71146.52   3439.44  74021.53   3439.82  361.983 8.7726  369.243 8.6011  -7.260071      12.28566  
1 1 1 -3  19  4  o 479.065 9.3442  124640.70  4848.49  126079.40  5937.85  121762.50  8398.73  481.491 11.386  472.107 16.425  9.384460       19.98545  
1 1 1 -3  19  5  o 246.637 4.4198  32960.82   1180.69  32695.02   1669.44  33226.81   1670.04  245.572 6.2766  247.563 6.2283  -1.991180      8.842365  
1 1 1 -3  19  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  19  7  o 420.763 7.0828  95963.27   3227.84  94401.63   4564.85  97524.91   4564.87  417.131 10.104  423.988 9.9404  -6.856659      14.17384  
1 1 1 -3  19  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  19  9  o 248.043 4.5205  33329.54   1214.47  33140.43   1717.69  33518.56   1717.34  247.300 6.4128  248.708 6.3752  -1.407745      9.042584  
1 1 1 -3  19  10 o 842.930 19.559  387150.19  17856.53 399645.50  25253.99 374656.91  25251.91 853.957 27.304  826.500 28.209  27.45746       39.25843  
1 1 1 -3  19  11 o 766.857 12.574  319347.81  10444.17 313934.00  20887.48 321152.59  12060.06 757.107 25.472  768.675 14.486  -11.56824      29.30259  
1 1 1 -3  19  12 o 602.669 14.156  197471.59  9240.32  0.0000     0.0000   197471.59  9240.32  ?       ?       602.669 14.156  0.000000       14.15593  
1 1 1 -3  19  13 o 190.867 6.0235  19745.86   1245.23  20261.47   2049.83  19444.30   1567.63  192.954 9.8410  189.354 7.6436  3.600281       12.46076  
1 1 1 -3  19  14 o 783.854 12.922  334426.50  10971.12 338889.31  21941.42 332938.81  12668.51 783.166 25.867  781.437 14.968  1.728638       29.88518  
1 1 1 -3  19  15 o 555.018 9.2387  167365.00  5553.76  156023.00  11105.68 171147.41  6413.29  533.007 19.237  560.977 10.555  -27.96979      21.94269  
1 1 1 -3  19  16 o 241.101 4.4127  31509.88   1152.31  31674.18   2298.52  31454.72   1331.75  241.392 8.7913  240.852 5.1051  0.5403900      10.16611  
1 1 1 -3  19  17 o 239.367 4.4244  31064.11   1147.08  31307.81   2290.99  30982.57   1325.15  239.902 8.8170  239.007 5.1190  0.8953857      10.19522  
1 1 1 -3  19  18 o 88.380  2.9850  4232.61    285.740  3755.54    552.100  4407.15    333.944  82.938  6.1906  90.175  3.4191  -7.237083      7.072105  
1 1 1 -3  19  19 o 221.464 4.1563  26596.73   996.964  25008.99   1989.09  27129.42   1152.13  214.285 8.5702  223.624 4.7568  -9.339371      9.801837  
1 1 1 -3  19  20 o 301.889 6.2029  49521.32   2028.19  50624.77   5063.94  49310.48   2213.49  302.211 15.523  301.147 6.7862  1.063782       16.94160  
1 1 1 -3  19  21 o 323.266 6.0041  56795.37   2102.21  63502.67   3909.03  54066.27   2493.48  340.537 10.598  315.133 7.3054  25.40378       12.87212  
1 1 1 -3  19  22 o 274.537 4.9642  40936.42   1476.11  39457.64   2947.20  41431.59   1705.43  268.295 10.142  276.064 5.7037  -7.768890      11.63588  
1 1 1 -3  19  23 o 192.559 3.8611  20124.57   805.284  20183.44   1603.39  20104.71   931.257  192.212 7.7017  192.392 4.4690  -0.1808777     8.904428  
1 1 1 -3  19  24 o 169.110 3.7622  15531.01   689.106  16095.68   1611.03  15404.56   762.370  170.894 8.7329  168.365 4.1807  2.529099       9.682046  
1 1 1 -3  19  25 o 110.036 3.1272  6575.27    372.703  7008.25    721.643  6417.77    435.244  113.050 5.9142  108.650 3.6985  4.399086       6.975447  
1 1 1 -3  19  26 o 39.952  4.7966  884.496    203.408  1264.73    469.115  796.456    225.731  46.688  9.5976  37.698  5.7070  8.990585       11.16618  
1 1 1 -3  19  27 o 65.112  2.1288  2301.40    150.131  2504.27    230.027  2150.86    198.155  67.827  3.1312  62.881  2.9095  4.945778       4.274244  
1 1 1 -3  19  28 o 84.209  3.5062  3871.21    319.788  3938.74    623.221  3847.07    372.576  83.711  6.9361  83.822  4.1038  -0.1108246     8.059237  
1 1 1 -3  19  29 o 78.427  3.4729  3363.62    295.006  3435.81    600.089  3340.62    338.769  77.735  7.2094  77.928  4.0274  -0.1928482     8.258054  
1 1 1 -3  19  30 o 27.698  7.4538  454.076    228.533  650.673    464.094  391.143    262.576  32.937  11.041  26.020  8.2787  6.916864       13.79981  
1 1 1 -3  19  31 o 55.840  2.5250  1702.31    152.714  1708.78    176.688  1683.22    303.637  55.792  2.9342  54.597  5.1974  1.194927       5.968459  
1 1 1 -3  19  32 f 34.066  1.9920  634.394    73.178   627.932    75.882   720.270    276.627  33.877  2.0781  34.399  7.6249  -0.5220490     7.902993  
1 1 1 -3  19  33 o 19.075  7.5531  157.401    231.718  423.493    465.250  69.622     267.218  27.004  10.699  18.229  7.7487  8.775408       13.21056  
1 1 1 -3  19  34 o 21.089  7.8690  261.799    241.261  0.0000     0.0000   261.799    241.261  ?       ?       21.089  7.8690  0.000000       7.868960  
1 1 1 -3  19  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  19  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  20  1  o 296.788 5.1486  47744.93   1655.03  46400.11   2340.68  49089.48   2340.45  292.437 7.3899  300.808 7.1836  -8.371033      10.30605  
1 1 1 -3  20  2  f 183.221 3.5353  18187.46   701.560  19086.71   992.353  17288.93   991.959  187.659 4.8823  178.596 5.1281  9.063782       7.080532  
1 1 1 -3  20  3  o 215.145 5.0492  25088.11   1176.58  24470.14   1871.36  25492.09   1513.06  212.337 8.1369  216.813 6.4432  -4.476624      10.37903  
1 1 1 -3  20  4  o 337.948 5.7795  61911.55   2115.47  63124.46   2991.74  60698.66   2991.71  341.079 8.0984  334.448 8.2589  6.630890       11.56690  
1 1 1 -3  20  5  o 96.641  2.5340  5058.65    265.240  5185.17    374.663  4931.52    375.550  97.835  3.5357  95.411  3.6341  2.423782       5.070319  
1 1 1 -3  20  6  o 264.948 4.7002  38032.79   1348.79  38714.61   1907.51  37351.00   1907.45  267.255 6.5898  262.502 6.7089  4.753082       9.403978  
1 1 1 -3  20  7  o 345.091 5.9240  64529.85   2214.23  63856.71   3131.31  65203.06   3131.47  343.184 8.4242  346.787 8.3371  -3.603180      11.85220  
1 1 1 -3  20  8  o 350.161 5.9850  66436.70   2269.89  65968.26   3210.34  66905.01   3209.87  348.829 8.4970  351.300 8.4361  -2.470673      11.97359  
1 1 1 -3  20  9  o 624.396 10.320  211476.59  6979.16  209346.91  9870.07  213606.30  9869.99  620.730 14.681  627.034 14.533  -6.303406      20.65749  
1 1 1 -3  20  10 o 426.961 7.1603  98804.98   3311.25  97106.08   4682.91  100503.80  4682.73  423.092 10.219  430.442 10.044  -7.350616      14.32879  
1 1 1 -3  20  11 o 654.345 12.467  232516.20  8835.71  243787.91  15304.25 226880.70  10821.37 668.291 21.143  645.887 15.469  22.40472       26.19787  
1 1 1 -3  20  12 o 228.674 6.0377  28339.49   1495.41  0.0000     0.0000   28339.49   1495.41  ?       ?       228.674 6.0377  0.000000       6.037724  
1 1 1 -3  20  13 o 328.331 6.5953  58443.16   2345.41  58254.81   4061.44  58537.39   2872.86  327.446 11.452  328.508 8.0742  -1.061493      14.01193  
1 1 1 -3  20  14 o 588.631 9.7486  188199.50  6215.19  176421.00  12427.99 192127.70  7177.14  567.135 20.232  594.471 11.147  -27.33594      23.09966  
1 1 1 -3  20  15 o 430.200 7.8001  100467.00  3634.45  105298.30  6732.19  98479.74   4317.72  439.217 14.152  425.699 9.3644  13.51816       16.96945  
1 1 1 -3  20  16 o 857.356 15.139  402609.09  14058.35 380999.81  40733.94 405531.00  14978.70 794.321 47.566  859.839 16.084  -65.51733      50.21127  
1 1 1 -3  20  17 o 672.011 12.061  246655.09  8778.55  245328.00  25287.99 246836.91  9360.68  647.813 36.185  671.868 12.863  -24.05402      38.40376  
1 1 1 -3  20  18 o 149.539 3.5221  12120.48   570.459  11543.94   1233.94  12277.20   643.337  145.481 7.8602  150.486 3.9471  -5.004959      8.795522  
1 1 1 -3  20  19 o 286.462 5.1248  44531.47   1590.05  45248.02   3177.27  44292.05   1836.58  287.884 10.190  285.590 5.9374  2.294159       11.79342  
1 1 1 -3  20  20 o 263.883 4.7741  37786.36   1364.49  37332.19   2724.90  37938.36   1576.36  261.491 9.6211  264.326 5.5061  -2.834778      11.08525  
1 1 1 -3  20  21 o 286.464 5.1129  44558.05   1586.40  42750.73   3168.47  45162.69   1832.64  279.423 10.469  288.281 5.8694  -8.857971      12.00232  
1 1 1 -3  20  22 o 334.898 6.2101  61019.37   2252.58  69181.28   4186.70  57694.05   2672.35  354.901 10.892  325.276 7.5853  29.62463       13.27270  
1 1 1 -3  20  23 o 146.712 3.3510  11676.27   532.489  12708.06   1055.30  11323.84   616.761  152.718 6.3800  144.434 3.9426  8.284210       7.499841  
1 1 1 -3  20  24 o 80.607  3.1554  3525.92    275.488  4234.57    534.913  3270.10    321.388  87.963  5.6443  77.591  3.8243  10.37193       6.817874  
1 1 1 -3  20  25 o 99.604  3.0500  5387.23    329.034  5340.80    643.572  5403.66    382.853  98.603  6.0554  99.708  3.5451  -1.104942      7.016797  
1 1 1 -3  20  26 o 151.925 3.3455  12557.30   550.502  15031.57   1125.53  11779.28   631.146  165.262 6.2880  147.007 3.9639  18.25531       7.433144  
1 1 1 -3  20  27 f 100.355 2.8690  5478.03    311.841  5720.09    565.169  5372.08    373.911  101.933 5.1356  99.278  3.4773  2.655678       6.202087  
1 1 1 -3  20  28 o 59.825  2.5900  1946.90    167.823  1968.06    516.765  1944.41    177.441  58.409  8.4111  59.770  2.7409  -1.361500      8.846392  
1 1 1 -3  20  29 o 116.749 3.2319  7445.11    408.684  8104.60    827.926  7232.65    469.926  120.178 6.3834  114.892 3.7763  5.286438       7.416804  
1 1 1 -3  20  30 o 61.822  4.0440  2113.42    269.295  2387.64    538.828  2022.12    310.909  63.942  7.9520  60.209  4.8077  3.732685       9.292357  
1 1 1 -3  20  31 o 31.359  1.1982  533.532    40.696   433.390    58.746   625.935    56.430   28.155  1.9382  33.946  1.5348  -5.790648      2.472314  
1 1 1 -3  20  32 o 48.598  2.2760  1289.32    119.801  1304.75    130.354  1205.43    303.936  48.791  2.4748  45.419  6.3522  3.372124       6.817259  
1 1 1 -3  20  33 o 68.997  4.1266  2684.42    306.974  4797.13    592.456  1909.07    358.910  90.296  6.0935  56.967  5.9025  33.32888       8.483533  
1 1 1 -3  20  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  20  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  20  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  21  1  o 402.929 13.742  88472.55   5997.24  0.0000     0.0000   88472.55   5997.24  ?       ?       402.929 13.742  0.000000       13.74210  
1 1 1 -3  21  2  o 472.521 11.235  121414.60  5750.02  122822.90  8131.75  120006.40  8131.77  474.295 15.829  468.780 16.016  5.514771       22.51827  
1 1 1 -3  21  3  o 446.424 8.5867  108170.00  4151.89  105355.90  5084.40  113802.00  7192.99  440.313 10.661  456.949 14.534  -16.63562      18.02460  
1 1 1 -3  21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  21  5  o 387.577 6.5383  81428.30   2744.68  79427.49   3881.24  83429.77   3881.89  382.591 9.3663  392.130 9.1399  -9.539276      13.08683  
1 1 1 -3  21  6  o 102.379 2.6505  5676.98    293.907  5876.04    415.942  5478.50    415.352  104.152 3.6872  100.566 3.8132  3.585701       5.304346  
1 1 1 -3  21  7  o 291.214 5.5271  45948.61   1743.31  45844.48   2296.28  46090.27   2678.44  290.832 7.2898  291.568 8.4815  -0.7355042     11.18375  
1 1 1 -3  21  8  o 328.123 5.6958  58334.25   2024.24  59955.74   2863.08  56713.61   2862.34  332.577 7.9483  323.451 8.1704  9.125610       11.39868  
1 1 1 -3  21  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  21  10 o 585.574 9.6864  185984.50  6143.48  186541.30  8688.33  185427.59  8688.05  585.998 13.689  584.241 13.730  1.757324       19.38790  
1 1 1 -3  21  11 o 507.427 8.4343  139620.50  4635.49  141554.09  6556.41  137688.00  6554.72  510.607 11.855  503.568 12.018  7.038757       16.88118  
1 1 1 -3  21  12 f 194.406 7.6971  20492.42   1620.71  0.0000     0.0000   20492.42   1620.71  ?       ?       194.406 7.6971  0.000000       7.697068  
1 1 1 -3  21  13 o 79.894  2.8572  3457.53    247.243  4231.18    492.772  3197.25    285.824  88.209  5.1805  76.825  3.4350  11.38395       6.215886  
1 1 1 -3  21  14 o 570.447 9.4327  176736.59  5828.05  169139.09  11653.88 179270.41  6730.08  555.478 19.370  574.260 10.820  -18.78192      22.18748  
1 1 1 -3  21  15 o 345.506 5.9813  64742.32   2238.33  68793.95   4475.40  63390.77   2584.84  355.430 11.625  341.790 6.9824  13.64035       13.56111  
1 1 1 -3  21  16 o 439.932 7.9397  105150.40  3783.21  99957.38   10675.89 105896.20  4045.76  423.147 23.385  441.393 8.4626  -18.24567      24.86882  
1 1 1 -3  21  17 o 439.984 7.3966  105179.80  3524.86  91794.70   7046.54  109646.90  4070.77  408.622 15.921  449.025 8.3702  -40.40259      17.98761  
1 1 1 -3  21  18 o 206.032 3.9675  23013.91   885.368  22077.43   1765.86  23328.38   1023.28  201.445 8.0934  207.399 4.5553  -5.953171      9.287274  
1 1 1 -3  21  19 o 413.293 7.0105  92864.36   3138.18  83478.60   6272.85  95997.62   3624.34  389.207 14.880  419.969 7.9678  -30.76251      16.87935  
1 1 1 -3  21  20 o 125.751 3.1098  8571.06    423.557  7105.03    844.061  9064.46    489.673  114.099 6.8619  129.305 3.4964  -15.20604      7.701366  
1 1 1 -3  21  21 o 136.163 3.2621  10051.50   481.091  11979.83   944.850  9376.60    558.976  148.469 5.8757  131.480 3.9252  16.98943       7.066162  
1 1 1 -3  21  22 o 169.593 3.8056  15603.34   699.036  15039.79   1328.31  15819.20   822.082  166.100 7.3835  170.707 4.4462  -4.607407      8.618848  
1 1 1 -3  21  23 o 172.978 3.6095  16236.62   676.248  13102.06   1571.96  16948.46   749.109  154.200 9.4578  176.697 3.9142  -22.49777      10.23578  
1 1 1 -3  21  24 o 117.315 3.1301  7468.76    397.724  7545.93    782.293  7441.86    461.871  117.411 6.1733  117.061 3.6428  0.3500137      7.167987  
1 1 1 -3  21  25 o 30.663  2.3019  512.854    75.892   449.501    80.443   1025.73    228.882  28.662  2.6203  43.077  4.9986  -14.41536      5.643703  
1 1 1 -3  21  26 o 80.350  3.2495  3511.92    282.792  5010.57    604.408  3091.90    319.976  95.320  5.8831  75.212  3.9416  20.10757       7.081438  
1 1 1 -3  21  27 o 28.757  1.7601  450.272    54.558   266.973    442.539  453.102    54.978   26.682  10.478  28.847  1.7681  -2.164825      10.62640  
1 1 1 -3  21  28 o 30.603  1.2073  507.680    40.018   463.850    57.302   549.410    55.912   29.177  1.8224  31.781  1.6298  -2.604242      2.444860  
1 1 1 -3  21  29 o 76.988  3.5769  3244.25    298.268  3787.07    595.002  3062.05    344.707  81.820  6.7751  74.505  4.2898  7.314857       8.018947  
1 1 1 -3  21  30 o 59.984  4.1142  1992.22    265.683  2463.06    531.936  1835.72    306.674  65.067  7.6970  57.271  4.9939  7.796402       9.175148  
1 1 1 -3  21  31 o 47.749  2.5360  1248.54    130.686  1192.46    144.720  1496.31    304.209  46.586  2.8823  51.270  5.5677  -4.684643      6.269502  
1 1 1 -3  21  32 o 36.554  1.6229  726.642    64.252   742.141    65.946   436.458    285.349  36.939  1.6483  26.794  8.6414  10.14484       8.797179  
1 1 1 -3  21  33 o 32.012  7.4851  646.120    254.884  411.469    483.444  736.455    299.960  26.791  10.807  33.743  8.2715  -6.951738      13.60945  
1 1 1 -3  21  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  21  35 f 29.826  12.765  857.484    734.076  0.0000     0.0000   857.484    734.076  ?       ?       29.826  12.765  0.000000       12.76469  
1 1 1 -3  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  22  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  22  2  o 343.661 5.8450  64023.87   2175.61  67850.52   3077.07  60198.67   3076.49  353.622 8.0339  333.046 8.5287  20.57675       11.71676  
1 1 1 -3  22  3  o 658.503 21.986  237981.59  15680.99 237981.59  15680.99 0.0000     0.0000   658.503 21.986  ?       ?       0.000000       21.98596  
1 1 1 -3  22  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  22  5  o 439.487 7.4189  104716.50  3531.49  102592.70  4993.99  106840.70  4994.57  434.757 10.605  443.686 10.393  -8.929474      14.84912  
1 1 1 -3  22  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  22  7  o 387.875 6.6097  81528.16   2776.80  79718.58   3926.78  83338.13   3927.21  383.414 9.4558  392.033 9.2489  -8.619080      13.22704  
1 1 1 -3  22  8  o 655.336 10.818  232982.30  7678.90  229069.70  10859.56 236895.00  10859.65 649.226 15.444  660.260 15.186  -11.03461      21.65879  
1 1 1 -3  22  9  o 281.211 5.4150  42845.28   1649.31  45043.28   2174.85  39870.26   2530.23  288.290 6.9651  271.177 8.6147  17.11362       11.07814  
1 1 1 -3  22  10 o 612.366 10.844  203478.30  7192.23  208443.91  11177.20 199969.30  9395.84  618.962 16.672  606.622 14.300  12.34076       21.96521  
1 1 1 -3  22  11 o 899.370 20.847  441588.81  20307.55 441588.81  20307.55 0.0000     0.0000   899.370 20.847  ?       ?       0.000000       20.84727  
1 1 1 -3  22  12 f 600.394 20.034  196910.80  13027.98 0.0000     0.0000   196910.80  13027.98 ?       ?       600.394 20.034  0.000000       20.03412  
1 1 1 -3  22  13 o 375.095 7.4133  76308.35   3011.78  77077.34   5215.71  75923.66   3688.96  376.425 12.793  374.007 9.1066  2.418671       15.70300  
1 1 1 -3  22  14 o 318.833 5.5525  55108.66   1917.45  51152.15   3832.10  56430.06   2214.61  306.646 11.538  322.582 6.3385  -15.93619      13.16440  
1 1 1 -3  22  15 o 222.547 4.1944  26841.66   1011.02  28122.09   2012.46  26409.40   1169.29  227.556 8.1653  220.718 4.8912  6.837738       9.518137  
1 1 1 -3  22  16 o 348.698 6.0251  65973.11   2275.52  64766.72   4548.75  66375.78   2627.99  344.484 12.191  349.653 6.9393  -5.168732      14.02797  
1 1 1 -3  22  17 o 315.721 5.5356  54082.31   1892.94  56687.48   3783.93  53212.72   2186.16  322.387 10.837  313.068 6.4472  9.318512       12.60951  
1 1 1 -3  22  18 o 507.821 8.4791  140370.80  4663.69  136262.70  9325.26  141741.00  5385.58  496.329 17.347  509.875 9.7521  -13.54572      19.90018  
1 1 1 -3  22  19 o 85.412  3.0418  3953.71    281.395  4342.40    539.633  3808.54    329.781  89.258  5.6104  83.816  3.6327  5.441338       6.683815  
1 1 1 -3  22  20 o 286.807 5.1389  44653.11   1596.35  48272.95   3190.14  43443.90   1843.81  297.250 9.9087  282.772 6.0202  14.47733       11.59418  
1 1 1 -3  22  21 o 156.904 3.4471  13348.95   585.809  12706.77   1163.06  13567.25   678.106  152.784 7.0284  158.150 3.9587  -5.366501      8.066564  
1 1 1 -3  22  22 o 141.845 3.3159  10910.88   509.433  9572.33    1076.54  11297.12   578.279  132.274 7.5455  144.310 3.6997  -12.03615      8.403754  
1 1 1 -3  22  23 o 41.490  4.5446  946.391    200.882  560.840    381.241  1094.58    236.356  32.002  9.9473  44.596  4.9782  -12.59411      11.12346  
1 1 1 -3  22  24 o 188.430 3.7876  19288.76   773.002  17270.87   1536.76  19972.26   894.386  177.340 8.0007  191.651 4.3087  -14.31075      9.087163  
1 1 1 -3  22  25 o 151.109 3.5371  12413.82   578.902  12413.98   1108.02  12413.75   678.937  150.326 6.8053  150.998 4.1513  -0.6725769     7.971517  
1 1 1 -3  22  26 o 88.128  3.2484  4225.24    310.066  4497.16    638.489  4141.32    354.698  90.055  6.5918  87.181  3.7563  2.873405       7.586965  
1 1 1 -3  22  27 o 95.864  3.2882  5006.35    341.418  6011.18    686.082  4675.61    393.617  104.125 6.1102  92.527  3.9277  11.59862       7.263714  
1 1 1 -3  22  28 o 25.279  1.8207  348.651    49.517   344.732    50.499   446.490    252.320  25.131  1.8686  27.747  7.9732  -2.615854      8.189204  
1 1 1 -3  22  29 o 67.118  3.8136  2477.29    276.092  3006.39    552.606  2301.28    318.722  72.666  7.1124  64.459  4.5953  8.207184       8.467722  
1 1 1 -3  22  30 o 20.086  7.5915  180.502    226.048  273.293    445.691  148.367    262.285  26.075  10.427  20.235  8.0284  5.839968       13.15939  
1 1 1 -3  22  31 o 22.869  1.6954  285.861    41.697   285.336    42.200   307.468    270.677  22.845  1.7181  23.739  8.4106  -0.8937359     8.584325  
1 1 1 -3  22  32 o 47.262  1.5810  1214.59    80.929   1293.98    117.198  1142.23    111.888  48.687  2.2225  45.737  2.2587  2.949902       3.168748  
1 1 1 -3  22  33 o 26.389  9.0451  448.444    311.550  456.637    477.793  442.384    410.925  27.321  10.837  26.677  10.199  0.6438007      14.88138  
1 1 1 -3  22  34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  22  35 o 30.137  12.973  911.997    766.398  0.0000     0.0000   911.997    766.398  ?       ?       30.137  12.973  0.000000       12.97348  
1 1 1 -3  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  23  1  o 342.742 6.8362  63700.89   2537.76  63897.85   3108.82  63307.53   4393.49  343.159 8.3643  341.228 11.888  1.931091       14.53538  
1 1 1 -3  23  2  o 90.084  3.0084  4395.82    293.529  3984.48    360.645  5203.01    505.206  85.759  3.8827  97.988  4.7602  -12.22981      6.142849  
1 1 1 -3  23  3  o 521.821 12.306  148005.50  6955.10  158429.80  9836.19  137582.09  9835.80  539.021 16.848  502.043 18.088  36.97763       24.71935  
1 1 1 -3  23  4  o 418.674 6.8996  95023.75   3128.74  96173.68   4424.66  93873.77   4424.76  420.992 9.7037  415.918 9.8223  5.074463       13.80717  
1 1 1 -3  23  5  o 245.583 4.4734  32673.42   1189.90  34060.58   1682.65  31285.84   1682.90  250.700 6.1968  240.264 6.4669  10.43599       8.956653  
1 1 1 -3  23  6  o 358.427 6.0578  69613.27   2351.74  70056.03   3325.63  69170.38   3326.09  359.462 8.5418  357.180 8.5976  2.282104       12.11945  
1 1 1 -3  23  7  o 456.864 7.5357  113129.90  3728.89  115488.20  5273.43  110771.60  5273.46  461.416 10.552  451.879 10.775  9.536255       15.08096  
1 1 1 -3  23  8  o 764.455 25.315  319514.69  20960.54 319514.69  20960.54 0.0000     0.0000   764.455 25.315  ?       ?       0.000000       25.31516  
1 1 1 -3  23  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  23  10 o 237.758 4.3343  30623.16   1116.16  29322.46   1579.77  31919.65   1577.21  232.613 6.2703  242.703 5.9999  -10.09006      8.678446  
1 1 1 -3  23  11 o 275.564 4.9954  41142.54   1490.94  42495.34   1971.82  39336.64   2278.22  280.011 6.5016  269.355 7.8091  10.65579       10.16133  
1 1 1 -3  23  12 o 156.057 5.0705  13196.53   857.044  12677.39   1332.22  13563.09   1119.44  152.675 8.0851  158.179 6.5341  -5.504074      10.39535  
1 1 1 -3  23  13 o 224.059 4.8190  27205.23   1169.48  29142.76   2024.31  26234.61   1432.78  231.763 8.0642  219.986 6.0133  11.77760       10.05941  
1 1 1 -3  23  14 o 273.740 4.8851  40614.35   1448.38  39601.14   2894.05  40952.93   1672.97  269.953 9.8980  274.841 5.6200  -4.888336      11.38224  
1 1 1 -3  23  15 o 353.428 6.6044  67776.68   2528.17  69093.06   7008.12  67579.74   2710.70  354.112 18.335  352.862 7.0926  1.249115       19.65905  
1 1 1 -3  23  16 o 594.979 10.775  192906.00  6943.89  198042.30  12831.00 190778.59  8257.63  598.455 19.795  590.894 12.903  7.560425       23.62890  
1 1 1 -3  23  17 o 445.618 7.5051  107916.40  3622.34  105657.50  7241.69  108670.20  4183.30  438.539 15.246  446.917 8.6422  -8.378601      17.52524  
1 1 1 -3  23  18 o 142.721 3.3318  11039.90   515.035  11057.37   1132.92  11035.35   578.241  142.424 7.3694  142.677 3.7418  -0.2526093     8.264988  
1 1 1 -3  23  19 o 283.708 5.4106  43693.24   1662.59  42695.07   4470.19  43853.48   1791.07  277.909 14.905  284.175 5.8191  -6.266205      16.00092  
1 1 1 -3  23  20 o 83.602  2.7329  3787.59    247.465  4017.73    390.053  3632.55    320.148  86.065  4.1844  81.852  3.6112  4.212807       5.527167  
1 1 1 -3  23  21 o 78.502  2.4042  3339.41    204.421  3208.36    341.931  3412.30    255.011  76.790  4.1263  79.341  2.9675  -2.551422      5.082538  
1 1 1 -3  23  22 o 81.113  3.1327  3567.48    275.224  3042.07    531.794  3759.69    321.651  74.447  6.6658  83.254  3.5670  -8.807564      7.560181  
1 1 1 -3  23  23 o 215.219 4.1229  25154.25   961.058  24094.73   1915.06  25510.91   1111.10  209.710 8.4313  216.643 4.7352  -6.932800      9.669977  
1 1 1 -3  23  24 o 42.204  1.6470  965.187    75.284   970.155    110.020  960.813    103.239  42.228  2.4155  42.035  2.2761  0.1936378      3.318895  
1 1 1 -3  23  25 o 40.772  2.1477  904.093    94.511   1083.13    367.249  891.395    97.805   43.611  8.0722  40.477  2.2396  3.134312       8.377156  
1 1 1 -3  23  26 o 54.525  2.2666  1613.70    133.858  1688.75    157.931  1422.26    252.238  55.758  2.6151  50.800  4.6354  4.957542       5.322188  
1 1 1 -3  23  27 o 116.725 3.2250  7421.27    407.724  8124.03    827.330  7195.83    468.577  120.981 6.3359  114.818 3.7679  6.162636       7.371580  
1 1 1 -3  23  28 o 35.937  1.8913  703.089    73.355   705.018    76.293   679.476    266.930  35.979  1.9652  34.146  7.4287  1.832291       7.684296  
1 1 1 -3  23  29 o 69.588  3.8287  2663.27    287.461  2575.87    565.572  2693.72    333.791  66.766  7.9790  69.803  4.4380  -3.036942      9.130228  
1 1 1 -3  23  30 o 63.758  2.6404  2218.23    182.336  2238.24    538.988  2215.65    193.760  61.595  8.2895  63.689  2.8088  -2.094151      8.752495  
1 1 1 -3  23  31 o 38.372  1.2274  798.995    51.012   746.720    72.936   849.056    71.374   37.051  1.8175  39.522  1.6674  -2.471184      2.466435  
1 1 1 -3  23  32 f 49.370  2.1631  1330.22    115.665  926.797    504.327  1352.62    118.833  36.883  11.437  49.776  2.2042  -12.89335      11.64750  
1 1 1 -3  23  33 f 12.994  6.3236  -421.2494  284.549  -395.8613  443.433  -439.0217  371.009  17.430  8.3321  15.355  7.4121  2.075422       11.15179  
1 1 1 -3  23  34 o 31.261  11.146  774.149    476.071  0.0000     0.0000   774.149    476.071  ?       ?       31.261  11.146  0.000000       11.14579  
1 1 1 -3  23  35 o 42.331  14.466  1973.54    796.908  0.0000     0.0000   1973.54    796.908  ?       ?       42.331  14.466  0.000000       14.46634  
1 1 1 -3  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  24  1  o 480.128 11.394  125241.40  5925.29  123227.90  8379.59  127254.90  8379.67  475.462 16.272  483.219 16.011  -7.756470      22.82800  
1 1 1 -3  24  2  o 487.087 9.2025  128740.40  4854.94  126547.60  5945.54  133128.30  8410.51  482.668 11.373  494.381 15.707  -11.71246      19.39201  
1 1 1 -3  24  3  o 319.214 5.5712  55219.54   1926.21  53011.90   2723.83  57427.97   2724.31  312.656 8.0435  325.435 7.7290  -12.77942      11.15503  
1 1 1 -3  24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  24  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  24  6  o 513.319 9.8565  142904.80  5480.02  139316.70  6711.63  150081.09  9491.67  506.635 12.231  525.339 16.681  -18.70377      20.68495  
1 1 1 -3  24  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  24  8  o 514.659 9.8606  143654.70  5496.56  140106.09  6731.64  150753.20  9521.00  508.060 12.233  526.496 16.696  -18.43600      20.69807  
1 1 1 -3  24  9  o 728.769 13.826  288509.50  10913.70 286678.50  13366.49 292171.41  18903.10 725.880 17.001  731.151 23.870  -5.271240      29.30579  
1 1 1 -3  24  10 o 372.229 6.3542  75087.53   2561.79  75136.67   3623.24  75038.40   3622.59  372.218 8.9873  371.975 8.9916  0.2437439      12.71298  
1 1 1 -3  24  11 o 629.170 12.005  214986.09  8181.17  218226.91  14171.93 213366.30  10019.24 632.129 20.699  626.340 14.769  5.789368       25.42798  
1 1 1 -3  24  12 o 434.096 14.714  102574.80  6917.87  102574.80  6917.87  0.0000     0.0000   434.096 14.714  ?       ?       0.000000       14.71352  
1 1 1 -3  24  13 f 260.161 4.6970  36678.40   1323.53  37730.34   2642.83  36326.25   1529.09  263.617 9.2560  258.880 5.4534  4.737366       10.74306  
1 1 1 -3  24  14 o 183.137 3.6479  18172.10   723.583  17735.97   1443.14  18318.56   836.300  180.790 7.3699  183.859 4.1996  -3.068863      8.482477  
1 1 1 -3  24  15 o 243.824 4.7767  32229.07   1261.47  32370.13   3307.18  32205.05   1364.64  243.281 12.594  243.711 5.1698  -0.4301147     13.61398  
1 1 1 -3  24  16 o 96.335  2.8894  5028.15    301.481  4603.72    593.335  5175.86    350.034  91.916  5.9927  97.733  3.3067  -5.817230      6.844482  
1 1 1 -3  24  17 o 569.941 10.135  177070.30  6256.57  163098.70  17908.98 179012.50  6677.30  531.688 31.236  572.819 10.762  -41.13135      33.03815  
1 1 1 -3  24  18 o 63.689  2.4743  2197.68    170.682  2481.43    420.558  2141.73    186.754  67.358  5.8218  62.870  2.7426  4.487843       6.435475  
1 1 1 -3  24  19 o 111.759 2.9903  6769.03    361.965  6932.19    722.953  6714.44    418.150  112.821 5.9372  111.294 3.4689  1.527618       6.876287  
1 1 1 -3  24  20 o 70.952  2.5247  2727.85    194.017  2078.45    461.342  2867.38    213.847  61.411  7.0647  72.740  2.7143  -11.32940      7.568183  
1 1 1 -3  24  21 o 211.806 4.5191  24349.07   1036.71  23062.51   1817.53  24969.50   1262.17  205.618 8.1611  214.381 5.4358  -8.762787      9.805685  
1 1 1 -3  24  22 o 54.770  3.7944  1635.34    223.705  1758.34    415.817  1585.23    265.383  56.384  6.9563  53.835  4.5954  2.549816       8.337140  
1 1 1 -3  24  23 o 113.634 3.0642  7004.01    377.130  7183.38    716.989  6935.40    443.427  114.701 5.7900  113.040 3.6218  1.661400       6.829442  
1 1 1 -3  24  24 o 123.511 3.1838  8281.34    425.916  7917.40    833.955  8409.76    495.397  120.156 6.4314  124.416 3.6763  -4.259567      7.407951  
1 1 1 -3  24  25 o 177.147 3.7992  17076.40   728.954  17707.92   1381.71  16832.84   858.088  179.317 7.1142  175.706 4.5089  3.610092       8.422743  
1 1 1 -3  24  26 o 142.685 3.3736  11082.53   521.370  11985.35   1051.80  10788.44   600.312  147.318 6.5919  140.647 3.9407  6.670609       7.679987  
1 1 1 -3  24  27 o 88.079  3.2642  4226.66    311.400  4685.81    640.673  4084.64    356.321  91.718  6.4912  86.494  3.8035  5.224068       7.523491  
1 1 1 -3  24  28 o 82.187  2.9107  3680.41    259.102  3332.10    607.144  3757.97    286.501  76.624  7.4082  82.999  3.1870  -6.375046      8.064647  
1 1 1 -3  24  29 o 53.357  4.3741  1577.71    250.560  1596.70    506.034  1571.54    288.395  51.695  9.3834  53.042  5.0821  -1.347595      10.67131  
1 1 1 -3  24  30 o 34.937  2.1726  666.994    81.806   415.470    473.005  674.749    83.057   28.673  10.947  35.137  2.1934  -6.464169      11.16429  
1 1 1 -3  24  31 o 81.086  2.9609  3602.77    260.041  3783.56    364.274  3414.90    371.335  82.667  4.0684  78.280  4.3975  4.387314       5.990832  
1 1 1 -3  24  32 o 24.316  8.8840  328.847    304.727  179.702    468.866  437.916    400.956  24.290  10.292  27.424  10.162  -3.133926      14.46324  
1 1 1 -3  24  33 o 20.590  8.4541  175.423    302.108  104.003    464.474  227.793    397.738  22.326  9.8446  22.920  9.5811  -0.5938301     13.73733  
1 1 1 -3  24  34 o 17.191  8.1942  -306.1558  422.474  0.0000     0.0000   -306.1558  422.474  ?       ?       17.191  8.1942  0.000000       8.194171  
1 1 1 -3  24  35 o 55.401  13.837  2921.14    827.810  0.0000     0.0000   2921.14    827.810  ?       ?       55.401  13.837  0.000000       13.83678  
1 1 1 -3  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  25  2  o 77.152  2.4585  3223.96    205.438  2927.96    291.268  3517.00    289.805  73.519  3.6578  80.578  3.3206  -7.058617      4.940239  
1 1 1 -3  25  3  o 615.250 20.480  206615.00  13647.16 206615.00  13647.16 0.0000     0.0000   615.250 20.480  ?       ?       0.000000       20.47956  
1 1 1 -3  25  4  o 759.123 25.173  315436.00  20697.48 315436.00  20697.48 0.0000     0.0000   759.123 25.173  ?       ?       0.000000       25.17302  
1 1 1 -3  25  5  o 433.699 7.2421  101945.60  3401.94  103787.10  4810.94  100103.80  4811.18  437.429 10.154  429.584 10.340  7.844727       14.49252  
1 1 1 -3  25  6  o 568.670 9.3186  175352.41  5739.62  170951.30  8116.71  179754.30  8117.37  561.115 13.355  575.417 13.025  -14.30231      18.65494  
1 1 1 -3  25  7  o 251.909 4.5718  34376.52   1247.38  33991.71   1763.80  34761.55   1764.32  250.456 6.5020  253.278 6.4315  -2.821960      9.145465  
1 1 1 -3  25  8  o 381.626 7.4611  78938.59   3083.96  77628.48   3776.84  81559.75   5342.21  378.360 9.2162  387.592 12.726  -9.231873      15.71234  
1 1 1 -3  25  9  o 139.461 3.0611  10534.50   462.388  10233.19   655.775  10832.42   652.070  137.441 4.4052  141.409 4.2574  -3.968353      6.126309  
1 1 1 -3  25  10 o 578.931 9.5665  181807.09  5998.57  182325.30  8483.46  181289.00  8483.06  579.279 13.521  577.625 13.559  1.653870       19.14881  
1 1 1 -3  25  11 o 409.058 9.7792  90794.60   4332.68  0.0000     0.0000   90794.60   4332.68  ?       ?       409.058 9.7792  0.000000       9.779158  
1 1 1 -3  25  12 o 374.207 12.848  76148.34   5207.51  76148.34   5207.51  0.0000     0.0000   374.207 12.848  ?       ?       0.000000       12.84836  
1 1 1 -3  25  13 o 689.215 12.224  258437.20  9124.92  245916.91  26305.59 260149.80  9729.01  659.130 36.997  691.288 12.994  -32.15808      39.21248  
1 1 1 -3  25  14 o 237.948 4.4393  30685.52   1144.11  34296.20   2284.38  29476.57   1321.84  251.314 8.3923  233.179 5.2338  18.13435       9.890596  
1 1 1 -3  25  15 o 234.798 4.6692  29887.02   1187.42  31683.92   2222.76  29169.44   1404.65  241.464 8.4991  231.910 5.5921  9.553467       10.17380  
1 1 1 -3  25  16 o 235.374 4.3315  30034.00   1104.25  27075.87   2204.30  31025.07   1275.89  223.079 9.1231  239.189 4.9250  -16.10959      10.36754  
1 1 1 -3  25  17 o 148.273 3.2920  11914.40   528.674  11214.94   1044.72  12155.17   612.948  143.693 6.7126  149.747 3.7792  -6.053207      7.703362  
1 1 1 -3  25  18 f 215.111 4.1148  25090.88   958.687  24336.60   1909.68  25345.02   1108.49  211.438 8.3389  216.154 4.7348  -4.715546      9.589325  
1 1 1 -3  25  19 o 147.409 3.3918  11778.89   541.537  11541.29   1205.85  11838.92   606.094  145.427 7.6829  147.767 3.7870  -2.339844      8.565501  
1 1 1 -3  25  20 o 79.641  2.4580  3436.84    212.025  3880.60    355.113  3191.02    264.306  84.591  3.8759  76.725  3.1805  7.865601       5.013818  
1 1 1 -3  25  21 o 169.872 3.7585  15652.04   691.521  16276.81   1626.55  15514.19   764.007  172.415 8.7386  169.092 4.1716  3.323578       9.683261  
1 1 1 -3  25  22 o 167.564 3.8159  15235.52   692.548  13708.59   1531.52  15628.01   776.470  157.995 8.9869  169.671 4.2252  -11.67671      9.930575  
1 1 1 -3  25  23 o 124.769 3.2093  8445.81    433.701  7442.97    838.056  8812.63    506.851  116.593 6.6640  127.414 3.6728  -10.82111      7.609096  
1 1 1 -3  25  24 o 200.084 3.9211  21762.73   849.748  19994.83   1691.59  22359.42   982.741  190.573 8.1953  202.692 4.4764  -12.11923      9.338165  
1 1 1 -3  25  25 o 100.767 2.9364  5515.37    320.480  5772.19    570.904  5397.20    387.252  102.772 5.1288  99.608  3.5895  3.164040       6.260107  
1 1 1 -3  25  26 o 58.128  3.7263  1849.04    233.364  1490.73    512.392  1942.81    262.129  50.616  9.6995  59.527  4.0905  -8.911106      10.52676  
1 1 1 -3  25  27 o 58.287  2.6314  1847.23    166.120  2427.94    511.970  1778.90    175.623  65.576  7.3338  57.180  2.8357  8.395996       7.862915  
1 1 1 -3  25  28 o 15.168  6.6169  -30.3190   204.839  -19.0173   425.457  -33.7293   233.710  22.012  9.5702  16.179  7.0626  5.832710       11.89409  
1 1 1 -3  25  29 o 147.700 3.5453  11947.67   567.161  11902.75   1222.99  11959.97   640.162  144.120 7.8645  147.548 4.0058  -3.428635      8.825929  
1 1 1 -3  25  30 o 18.713  7.4375  122.317    225.458  73.236     444.884  139.278    261.530  23.190  9.9313  20.002  7.9910  3.188503       12.74703  
1 1 1 -3  25  31 o 53.603  2.7860  1576.59    161.191  1523.55    176.953  1835.13    390.694  52.604  3.1197  56.291  6.5293  -3.686836      7.236332  
1 1 1 -3  25  32 o 14.542  6.8764  -274.0070  286.029  -131.1505  440.747  -377.9455  375.948  20.155  9.1774  16.298  7.7577  3.857145       12.01695  
1 1 1 -3  25  33 o 21.634  1.2103  255.218    28.246   324.140    459.532  254.957    28.300   24.923  10.348  21.623  1.2133  3.300438       10.41925  
1 1 1 -3  25  34 o 56.027  8.0359  2061.19    473.677  0.0000     0.0000   2061.19    473.677  ?       ?       56.027  8.0359  0.000000       8.035865  
1 1 1 -3  25  35 o 27.631  12.295  666.609    740.674  0.0000     0.0000   666.609    740.674  ?       ?       27.631  12.295  0.000000       12.29495  
1 1 1 -3  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  26  1  o 753.253 25.010  310912.31  20404.85 0.0000     0.0000   310912.31  20404.85 ?       ?       753.253 25.010  0.000000       25.01050  
1 1 1 -3  26  2  o 193.227 3.6653  20224.76   767.089  20233.16   1085.15  20216.37   1084.51  193.244 5.1846  193.164 5.1837  0.8020020E-01  7.331445  
1 1 1 -3  26  3  o 371.231 7.3883  74701.31   2970.68  74261.48   3638.75  75580.35   5144.18  370.049 9.0787  373.070 12.731  -3.020813      15.63635  
1 1 1 -3  26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  26  5  o 625.413 11.916  212262.30  8071.47  210224.30  9885.00  216339.41  13981.59 622.072 14.671  630.118 20.486  -8.046631      25.19791  
1 1 1 -3  26  6  o 652.448 12.387  231043.59  8753.21  225847.80  10720.47 241434.91  15160.91 644.688 15.353  665.575 21.031  -20.88696      26.03870  
1 1 1 -3  26  7  o 591.946 9.7806  190030.91  6270.75  189127.09  8867.88  190934.80  8868.48  590.112 13.874  592.933 13.809  -2.821350      19.57546  
1 1 1 -3  26  8  o 681.395 12.004  252012.80  8859.25  252063.20  11568.66 251941.41  13776.25 680.918 15.686  680.201 18.699  0.7171021      24.40734  
1 1 1 -3  26  9  o 372.008 6.3703  74996.77   2566.75  75277.21   3630.04  74716.36   3629.83  372.577 8.9955  371.184 9.0287  1.392395       12.74508  
1 1 1 -3  26  10 o 601.412 9.9052  196235.00  6452.14  198923.50  9125.14  193547.00  9124.27  604.981 13.926  596.719 14.118  8.261353       19.83025  
1 1 1 -3  26  11 o 234.462 7.1052  29802.82   1804.33  0.0000     0.0000   29802.82   1804.33  ?       ?       234.462 7.1052  0.000000       7.105152  
1 1 1 -3  26  12 o 790.889 18.449  341799.81  15804.10 341799.81  15804.10 0.0000     0.0000   790.889 18.449  ?       ?       0.000000       18.44948  
1 1 1 -3  26  13 o 596.702 10.791  193549.09  6974.06  201087.30  20013.92 192507.30  7440.39  599.407 30.933  594.932 11.547  4.475403       33.01792  
1 1 1 -3  26  14 o 408.691 7.4692  90657.92   3306.28  90714.13   6127.01  90634.83   3927.14  407.699 13.875  408.450 8.8770  -0.7510986     16.47185  
1 1 1 -3  26  15 o 307.321 5.4065  51221.57   1799.62  53706.39   3596.94  50391.88   2078.47  314.046 10.575  304.743 6.2971  9.303070       12.30766  
1 1 1 -3  26  16 o 297.746 6.1340  48114.02   1978.16  48337.71   4941.47  48071.33   2158.68  296.347 15.449  297.552 6.6981  -1.205627      16.83828  
1 1 1 -3  26  17 f 358.046 6.1888  69603.50   2400.01  70579.78   4796.79  69277.49   2771.92  359.184 12.330  357.050 7.1677  2.134125       14.26203  
1 1 1 -3  26  18 o 167.377 3.6710  15187.04   665.498  14908.02   1560.17  15249.09   735.795  165.212 8.7501  167.700 4.0509  -2.488358      9.642282  
1 1 1 -3  26  19 o 198.952 3.8927  21463.06   838.821  21462.97   1672.72  21463.09   969.541  198.572 7.7774  198.909 4.5003  -0.3372192     8.985573  
1 1 1 -3  26  20 o 189.208 3.7606  19413.69   770.672  18082.43   1534.53  19862.72   891.219  182.204 7.7759  191.344 4.3003  -9.140686      8.885743  
1 1 1 -3  26  21 o 98.404  3.0580  5249.63    325.930  5866.71    638.613  5032.27    379.009  103.736 5.7057  96.325  3.6328  7.411057       6.764078  
1 1 1 -3  26  22 o 124.687 3.1626  8431.21    427.112  7373.24    840.857  8799.10    495.842  116.129 6.7138  127.353 3.5947  -11.22414      7.615598  
1 1 1 -3  26  23 o 25.750  2.2291  362.094    61.555   1483.54    350.724  326.452    62.525   51.763  6.3914  24.422  2.3945  27.34077       6.825216  
1 1 1 -3  26  24 o 146.830 3.4262  11710.59   544.879  11315.90   1198.51  11813.42   611.756  143.249 7.7536  147.418 3.8314  -4.168732      8.648551  
1 1 1 -3  26  25 o 75.129  3.2976  3068.66    268.336  3347.09    574.471  2990.95    303.477  77.663  6.9013  74.029  3.7977  3.634399       7.877232  
1 1 1 -3  26  26 o 68.469  2.6336  2547.20    195.305  2461.19    547.538  2559.73    209.056  66.043  7.8054  68.621  2.8128  -2.578369      8.296786  
1 1 1 -3  26  27 o 64.122  2.0595  2232.25    143.035  2412.61    222.016  2104.26    187.019  66.559  3.0797  62.193  2.7764  4.366077       4.146412  
1 1 1 -3  26  28 o 63.878  3.9214  2242.95    269.993  2050.70    536.270  2308.23    312.487  59.431  8.5794  64.657  4.4900  -5.225273      9.683335  
1 1 1 -3  26  29 o 102.015 2.8060  5676.67    310.039  4912.27    577.511  5986.18    367.486  93.688  5.7186  104.634 3.2426  -10.94618      6.573997  
1 1 1 -3  26  30 o 60.965  4.2727  2063.95    280.353  2306.11    536.376  1972.93    328.849  62.561  8.1064  59.258  5.1756  3.303280       9.617750  
1 1 1 -3  26  31 o 70.957  5.1669  2839.66    394.370  3282.87    584.755  2469.87    534.125  74.891  7.3019  64.546  7.7982  10.34440       10.68317  
1 1 1 -3  26  32 o 18.789  8.0610  47.934     294.044  81.176     451.887  23.522     387.239  22.660  9.8576  20.653  9.0514  2.006853       13.38282  
1 1 1 -3  26  33 o 22.524  2.5182  282.667    60.384   0.0000     0.0000   282.667    60.384   ?       ?       22.524  2.5182  0.000000       2.518243  
1 1 1 -3  26  34 o 26.136  10.238  475.176    421.508  0.0000     0.0000   475.176    421.508  ?       ?       26.136  10.238  0.000000       10.23754  
1 1 1 -3  26  35 o 27.616  12.261  670.283    732.528  0.0000     0.0000   670.283    732.528  ?       ?       27.616  12.261  0.000000       12.26055  
1 1 1 -3  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  27  1  o 206.533 3.6797  23105.76   823.149  22663.89   1164.34  23547.27   1163.88  204.525 5.2561  208.474 5.1545  -3.949692      7.361736  
1 1 1 -3  27  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  27  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  27  5  o 597.115 9.8431  193357.70  6365.88  200421.00  9002.70  186294.41  9002.71  607.530 13.682  585.668 14.192  21.86182       19.71307  
1 1 1 -3  27  6  o 327.321 5.6839  58048.64   2015.06  58164.48   2849.43  57932.76   2850.01  327.570 8.0312  326.917 8.0490  0.6538696      11.37043  
1 1 1 -3  27  7  o 114.381 2.7706  7085.95    343.241  6940.20    485.425  7231.68    485.409  113.192 3.9595  115.545 3.8787  -2.353027      5.542728  
1 1 1 -3  27  8  o 437.435 7.3801  103716.10  3496.59  101274.80  4944.66  106158.00  4945.19  432.058 10.566  442.370 10.321  -10.31195      14.77071  
1 1 1 -3  27  9  o 287.760 5.0667  44863.67   1579.17  44314.61   2233.38  45412.63   2233.18  285.929 7.2116  289.453 7.1232  -3.523834      10.13647  
1 1 1 -3  27  10 o 285.813 5.0544  44260.51   1564.67  44689.20   2214.94  43833.49   2210.62  287.124 7.1223  284.360 7.1776  2.764374       10.11162  
1 1 1 -3  27  11 o 246.207 6.4013  32858.18   1707.01  0.0000     0.0000   32858.18   1707.01  ?       ?       246.207 6.4013  0.000000       6.401278  
1 1 1 -3  27  12 o 468.818 9.1237  119304.20  4632.81  118464.90  5673.99  120982.80  8024.31  466.889 11.220  471.030 15.729  -4.140900      19.32055  
1 1 1 -3  27  13 o 295.357 6.0349  47301.02   1930.58  47253.18   3341.32  47324.99   2365.37  294.842 10.463  295.340 7.3945  -0.4977417     12.81224  
1 1 1 -3  27  14 o 302.892 5.3255  49743.23   1747.10  53884.39   3494.67  48363.34   2017.28  314.740 10.251  298.595 6.2375  16.14529       11.99993  
1 1 1 -3  27  15 o 329.485 5.7095  58889.14   2037.53  55935.96   4072.69  59875.07   2353.19  320.259 11.741  332.146 6.5412  -11.88666      13.44028  
1 1 1 -3  27  16 o 482.654 8.1074  126644.40  4238.27  127917.80  8475.90  126219.80  4894.06  482.296 16.226  481.530 9.3837  0.7659302      18.74367  
1 1 1 -3  27  17 o 296.818 5.4745  47808.99   1759.97  42943.37   4755.85  48581.07   1894.47  278.800 15.815  299.162 5.8467  -20.36249      16.86075  
1 1 1 -3  27  18 o 239.373 4.4352  31077.44   1149.90  31604.09   2298.02  30901.52   1328.13  240.858 8.8089  238.633 5.1386  2.225616       10.19810  
1 1 1 -3  27  19 o 267.185 4.8358  38737.49   1399.42  37647.29   2793.97  39102.59   1616.85  262.580 9.8240  268.354 5.5628  -5.774170      11.28964  
1 1 1 -3  27  20 f 189.983 3.9432  19576.25   811.402  18298.05   1979.57  19834.36   889.562  182.650 10.045  191.205 4.2954  -8.554214      10.92493  
1 1 1 -3  27  21 o 143.096 3.3793  11103.71   523.752  10169.12   1127.28  11361.00   591.469  136.361 7.6637  144.721 3.7734  -8.360641      8.542236  
1 1 1 -3  27  22 o 244.156 4.7947  32389.24   1267.94  31780.37   3299.20  32494.76   1373.42  239.151 12.783  244.485 5.1866  -5.334610      13.79539  
1 1 1 -3  27  23 o 151.562 3.4750  12468.53   570.447  11631.40   1260.25  12684.25   639.737  145.450 8.0308  152.826 3.8649  -7.375732      8.912409  
1 1 1 -3  27  24 o 112.157 3.0891  6829.65    375.260  6176.34    743.672  7052.82    434.655  106.001 6.5089  113.931 3.5224  -7.929688      7.400851  
1 1 1 -3  27  25 o 17.604  6.6685  123.144    174.679  132.267    429.286  121.333    191.226  24.565  10.081  18.058  6.9445  6.507545       12.24140  
1 1 1 -3  27  26 o 148.513 3.5151  12016.88   565.425  12973.09   1108.77  11680.81   657.318  153.107 6.6861  146.249 4.1497  6.858643       7.869190  
1 1 1 -3  27  27 o 84.017  2.8712  3841.87    261.276  3469.40    400.159  4118.65    344.956  79.383  4.6747  86.855  3.6669  -7.471558      5.941292  
1 1 1 -3  27  28 o 55.591  4.1761  1704.63    249.612  2263.53    508.369  1527.08    286.529  62.900  7.6173  52.355  5.1183  10.54473       9.177202  
1 1 1 -3  27  29 o 21.095  2.4161  245.415    54.207   228.931    55.354   630.814    267.651  20.339  2.5701  32.629  7.6980  -12.28920      8.115700  
1 1 1 -3  27  30 o 49.183  6.4787  1393.12    336.725  1306.57    505.107  1462.35    451.751  45.586  10.453  49.255  8.7904  -3.669353      13.65785  
1 1 1 -3  27  31 o 27.766  8.9247  464.608    304.559  497.280    463.346  439.754    404.125  29.478  10.924  27.927  10.227  1.551596       14.96353  
1 1 1 -3  27  32 o 32.201  1.6873  566.010    58.643   784.826    472.996  562.594    59.099   33.917  11.138  32.101  1.7059  1.816807       11.26804  
1 1 1 -3  27  33 o 24.797  8.5741  398.383    280.241  0.0000     0.0000   398.383    280.241  ?       ?       24.797  8.5741  0.000000       8.574141  
1 1 1 -3  27  34 o 34.976  10.149  921.580    407.025  0.0000     0.0000   921.580    407.025  ?       ?       34.976  10.149  0.000000       10.14874  
1 1 1 -3  27  35 o 19.531  9.5847  -554.3724  695.347  0.0000     0.0000   -554.3724  695.347  ?       ?       19.531  9.5847  0.000000       9.584699  
1 1 1 -3  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  28  2  o 263.513 4.9413  37618.73   1410.30  35352.34   2157.91  39308.51   1863.29  255.382 7.8014  269.333 6.3874  -13.95129      10.08267  
1 1 1 -3  28  3  o 459.217 7.6715  114300.80  3815.67  117302.40  5396.36  111299.50  5395.98  465.019 10.714  452.944 10.999  12.07516       15.35493  
1 1 1 -3  28  4  f 616.239 14.549  206278.30  9710.74  212797.59  13731.38 199755.80  13734.75 625.010 20.284  605.437 20.945  19.57294       29.15719  
1 1 1 -3  28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  28  6  o 362.489 6.1479  71198.88   2413.75  69873.27   3413.23  72524.97   3413.88  358.995 8.7782  365.751 8.6177  -6.756073      12.30133  
1 1 1 -3  28  7  o 85.467  2.5699  3956.27    237.897  4056.24    335.052  3854.62    337.839  86.536  3.5747  84.358  3.6976  2.178749       5.143013  
1 1 1 -3  28  8  o 692.552 11.418  260299.09  8564.71  264179.59  12112.17 256418.50  12112.49 696.970 16.045  686.612 16.287  10.35815       22.86306  
1 1 1 -3  28  9  o 482.171 8.6746  126073.90  4530.24  123232.40  5927.57  130064.50  7024.72  476.465 11.486  489.304 13.255  -12.83875      17.53931  
1 1 1 -3  28  10 o 318.961 6.0157  55135.19   2078.24  57911.69   3202.24  53114.73   2731.68  326.744 9.0485  312.972 8.0585  13.77191       12.11672  
1 1 1 -3  28  11 o 439.021 14.874  104933.60  7072.51  0.0000     0.0000   104933.60  7072.51  ?       ?       439.021 14.874  0.000000       14.87369  
1 1 1 -3  28  12 o 244.701 5.7425  32458.63   1521.96  33513.50   1963.58  30871.19   2408.78  248.572 7.2933  238.453 9.3266  10.11815       11.83969  
1 1 1 -3  28  13 o 82.965  3.3545  3729.13    301.433  4520.78    517.398  3322.37    370.874  91.170  5.2620  78.175  4.3980  12.99483       6.857954  
1 1 1 -3  28  14 o 367.332 6.3061  73201.34   2508.93  74291.43   5017.49  72837.90   2897.13  369.103 12.551  366.310 7.3021  2.792603       14.52039  
1 1 1 -3  28  15 o 510.316 9.1794  141656.80  5073.68  148175.80  9384.53  138964.41  6031.10  519.295 16.685  504.950 11.028  14.34543       19.99994  
1 1 1 -3  28  16 o 461.011 7.7750  115516.30  3882.23  120841.70  7764.32  113741.10  4482.83  469.083 15.282  457.159 9.0535  11.92377       17.76257  
1 1 1 -3  28  17 o 118.465 3.0205  7604.94    387.560  7535.22    774.786  7628.21    447.581  117.649 6.1012  118.634 3.4833  -0.9844742     7.025533  
1 1 1 -3  28  18 o 84.326  2.9458  3853.47    269.049  3064.83    539.061  4115.10    310.487  74.798  6.7259  87.134  3.2899  -12.33601      7.487372  
1 1 1 -3  28  19 f 255.859 4.6511  35518.46   1288.92  39126.47   2578.61  34316.75   1488.17  267.875 8.8876  251.403 5.4653  16.47191       10.43351  
1 1 1 -3  28  20 o 219.105 4.1949  26044.05   995.501  27861.86   1986.93  25434.79   1150.29  226.080 8.1143  216.457 4.9064  9.622223       9.482348  
1 1 1 -3  28  21 o 126.643 3.1677  8695.88    434.511  9638.08    870.077  8382.82    501.528  133.123 6.0344  124.315 3.7248  8.807983       7.091418  
1 1 1 -3  28  22 o 127.909 3.1714  8873.28    439.358  10569.02   879.524  8309.41    507.172  139.352 5.8273  123.739 3.7842  15.61250       6.948216  
1 1 1 -3  28  23 o 71.072  3.2393  2741.22    249.358  2761.94    498.748  2734.32    287.928  70.815  6.5777  70.858  3.7652  -0.4290009E-01 7.579137  
1 1 1 -3  28  24 o 133.214 3.2140  9637.85    463.728  11239.50   928.500  9105.56    535.266  143.354 5.9800  129.406 3.8189  13.94714       7.095423  
1 1 1 -3  28  25 o 58.316  3.6503  1858.34    229.402  2349.62    505.923  1731.19    257.382  64.809  7.3367  56.184  4.2613  8.624687       8.484402  
1 1 1 -3  28  26 o 136.474 3.3537  10143.40   495.723  12009.84   1054.01  9613.28    561.729  147.313 6.6059  132.726 3.9075  14.58656       7.675075  
1 1 1 -3  28  27 o 139.450 3.4344  10608.24   518.726  10186.04   1016.71  10756.82   603.131  134.956 6.9795  140.251 3.9704  -5.295029      8.029749  
1 1 1 -3  28  28 o 179.781 3.7677  17693.56   733.660  18624.84   1460.18  17379.07   848.545  181.664 7.4211  177.825 4.4057  3.838409       8.630338  
1 1 1 -3  28  29 o 75.786  3.4579  3145.79    283.834  2524.31    493.767  3452.50    346.871  66.444  6.9647  79.127  4.0611  -12.68256      8.062196  
1 1 1 -3  28  30 o 74.789  3.5134  3073.18    284.603  3953.57    596.189  2813.34    323.890  83.059  6.6838  71.216  4.2178  11.84219       7.903331  
1 1 1 -3  28  31 o 44.704  2.0286  1088.50    98.221   730.348    485.398  1103.79    100.296  33.749  11.291  45.013  2.0572  -11.26438      11.47731  
1 1 1 -3  28  32 o 50.555  4.8761  1458.30    263.687  1717.82    517.454  1367.27    306.463  51.473  9.6357  48.333  5.9819  3.140274       11.34156  
1 1 1 -3  28  33 o 17.877  7.7082  62.369     271.449  0.0000     0.0000   62.369     271.449  ?       ?       17.877  7.7082  0.000000       7.708232  
1 1 1 -3  28  34 o 20.630  9.0027  134.321    379.451  0.0000     0.0000   134.321    379.451  ?       ?       20.630  9.0027  0.000000       9.002698  
1 1 1 -3  28  35 o 27.070  12.528  617.092    868.052  0.0000     0.0000   617.092    868.052  ?       ?       27.070  12.528  0.000000       12.52750  
1 1 1 -3  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  29  1  o 119.330 2.9344  7712.43    379.261  7909.47    547.614  7530.80    525.764  120.837 4.1841  117.909 4.1169  2.927559       5.869935  
1 1 1 -3  29  2  o 434.510 7.3120  102322.80  3441.18  102980.00  4866.79  101665.70  4866.34  435.739 10.312  432.945 10.378  2.793640       14.62992  
1 1 1 -3  29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  29  4  o 238.743 4.2784  30875.63   1106.34  31639.62   1564.58  30111.62   1564.61  241.649 5.9778  235.739 6.1278  5.910339       8.560630  
1 1 1 -3  29  5  o 417.948 7.1280  94668.48   3226.71  94730.62   4563.12  94606.34   4563.40  417.931 10.081  417.656 10.088  0.2746582      14.26126  
1 1 1 -3  29  6  o 474.276 7.9437  121931.60  4080.62  121693.40  5770.67  122169.70  5771.08  473.586 11.250  474.514 11.229  -0.9275513     15.89508  
1 1 1 -3  29  7  o 259.807 4.6331  36567.00   1303.76  36153.98   1843.27  36980.50   1844.31  258.291 6.5888  261.228 6.5184  -2.937622      9.268383  
1 1 1 -3  29  8  o 699.947 16.230  266501.50  12304.00 266501.50  12304.00 0.0000     0.0000   699.947 16.230  ?       ?       0.000000       16.22972  
1 1 1 -3  29  9  o 514.388 8.5334  143484.70  4754.25  141041.20  6723.38  145928.41  6723.67  509.634 12.180  518.412 11.975  -8.778168      17.08073  
1 1 1 -3  29  10 o 123.447 2.9421  8254.29    393.374  8544.77    564.703  7980.44    548.290  125.589 4.1514  121.371 4.1709  4.218239       5.884778  
1 1 1 -3  29  11 o 142.631 6.3827  11028.57   986.026  11028.57   986.026  0.0000     0.0000   142.631 6.3827  ?       ?       0.000000       6.382703  
1 1 1 -3  29  12 o 210.465 5.0359  24007.21   1147.96  23174.49   1474.40  25289.16   1829.36  206.726 6.5849  215.892 7.8233  -9.166595      10.22572  
1 1 1 -3  29  13 o 82.007  2.6027  3642.93    231.173  4145.84    373.614  3330.96    294.267  87.470  3.9436  78.409  3.4650  9.060921       5.249602  
1 1 1 -3  29  14 o 215.687 4.3176  25215.20   1008.64  27532.59   1900.68  24306.76   1190.03  225.162 7.7937  211.726 5.1894  13.43652       9.363302  
1 1 1 -3  29  15 o 190.788 3.7645  19727.60   777.907  19513.87   1555.88  19798.84   898.237  189.531 7.5793  191.108 4.3395  -1.577225      8.733642  
1 1 1 -3  29  16 o 172.991 3.5449  16219.14   664.199  18238.58   1330.07  15548.25   766.630  183.260 6.7009  169.350 4.1796  13.91072       7.897553  
1 1 1 -3  29  17 o 326.164 6.1625  57766.85   2177.04  60556.65   4048.97  56632.35   2582.02  332.911 11.229  322.756 7.3861  10.15549       13.44054  
1 1 1 -3  29  18 o 198.521 3.8844  21368.20   835.207  19964.62   1669.80  21836.52   964.533  191.516 8.0499  200.648 4.4383  -9.132385      9.192330  
1 1 1 -3  29  19 o 227.245 4.2614  28010.41   1048.86  27689.02   2097.19  28117.62   1211.22  225.389 8.5908  227.620 4.9129  -2.230499      9.896431  
1 1 1 -3  29  20 o 22.416  1.2747  273.036    30.819   275.583    31.160   158.519    208.926  22.520  1.2828  19.641  7.3238  2.879251       7.435295  
1 1 1 -3  29  21 o 146.594 3.3422  11653.48   530.668  11262.26   1060.66  11784.11   612.893  143.809 6.8096  147.382 3.8395  -3.572693      7.817393  
1 1 1 -3  29  22 o 64.246  3.3958  2245.45    235.455  2318.21    472.134  2221.37    271.646  64.845  6.8247  63.848  3.9475  0.9970512      7.884128  
1 1 1 -3  29  23 o 85.081  3.1450  3928.26    289.818  2804.57    565.823  4327.91    337.444  71.180  7.4497  89.283  3.4895  -18.10362      8.226414  
1 1 1 -3  29  24 o 74.655  3.1566  3027.00    255.244  2482.85    509.689  3209.15    294.885  66.853  7.1499  76.840  3.5432  -9.986458      7.979668  
1 1 1 -3  29  25 o 100.094 2.8975  5444.05    314.122  5916.47    560.591  5227.83    379.254  104.005 4.9765  98.000  3.5730  6.005119       6.126300  
1 1 1 -3  29  26 o 129.284 3.2588  9101.02    456.324  9578.97    929.266  8949.15    523.832  131.568 6.5211  128.082 3.7760  3.486450       7.535423  
1 1 1 -3  29  27 o 99.301  3.2458  5375.91    349.098  5894.90    705.695  5207.75    401.691  102.830 6.3675  97.615  3.7993  5.215065       7.414832  
1 1 1 -3  29  28 o 87.664  3.0584  4192.21    290.394  4796.95    643.430  4037.52    325.422  92.415  6.4690  85.936  3.4962  6.479088       7.353301  
1 1 1 -3  29  29 o 87.456  4.7172  4243.12    445.181  4038.27    646.510  4427.84    613.915  84.016  7.1734  88.442  6.4534  -4.425835      9.649035  
1 1 1 -3  29  30 o 99.525  4.6549  5504.17    501.784  5429.18    727.260  5572.31    693.223  97.127  6.9593  98.760  6.5173  -1.632896      9.534541  
1 1 1 -3  29  31 o 15.095  1.6068  125.240    25.866   -647.3342  446.555  127.840    25.910   16.428  7.9777  15.255  1.5916  1.173020       8.134873  
1 1 1 -3  29  32 o 56.843  4.4693  1829.43    272.941  2185.59    539.366  1706.83    316.450  58.860  8.7246  54.327  5.4515  4.533516       10.28773  
1 1 1 -3  29  33 o 15.209  7.0056  -118.4908  266.859  0.0000     0.0000   -118.4908  266.859  ?       ?       15.209  7.0056  0.000000       7.005641  
1 1 1 -3  29  34 o 6.1361  2.6206  0.0930     30.824   0.0000     0.0000   0.0930     30.824   ?       ?       6.1361  2.6206  0.000000       2.620595  
1 1 1 -3  29  35 o 25.844  12.106  439.812    850.503  0.0000     0.0000   439.812    850.503  ?       ?       25.844  12.106  0.000000       12.10618  
1 1 1 -3  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  30  1  o 565.198 13.286  173429.91  8133.42  169735.00  11502.36 177124.80  11502.42 558.417 19.018  570.504 18.615  -12.08734      26.61178  
1 1 1 -3  30  2  o 473.512 7.8586  121529.00  4030.37  126417.60  5700.25  116641.90  5699.35  482.748 10.902  463.675 11.349  19.07312       15.73666  
1 1 1 -3  30  3  o 175.004 3.4760  16588.68   658.865  16694.78   932.208  16482.77   931.345  175.548 4.9028  174.430 4.9297  1.118546       6.952668  
1 1 1 -3  30  4  o 383.400 6.5163  79654.19   2705.96  79184.70   3826.84  80123.66   3826.77  382.150 9.2456  384.412 9.1911  -2.261841      13.03677  
1 1 1 -3  30  5  f 471.867 7.8975  120692.80  4036.28  123443.90  5708.18  117941.70  5708.13  477.004 11.049  466.233 11.304  10.77151       15.80647  
1 1 1 -3  30  6  o 689.531 13.078  258161.41  9767.28  255647.30  11961.91 263190.91  16918.90 685.699 16.106  694.428 22.494  -8.729309      27.66609  
1 1 1 -3  30  7  o 317.146 6.4205  54506.52   2205.45  55531.19   2700.63  52454.99   3821.31  320.063 7.7904  310.900 11.348  9.162689       13.76477  
1 1 1 -3  30  8  o 249.512 4.5273  33727.02   1223.48  34268.80   1729.99  33184.91   1730.53  251.464 6.3518  247.453 6.4568  4.011658       9.057357  
1 1 1 -3  30  9  o 214.360 4.4093  24893.81   1023.72  24757.02   1255.30  25165.45   1768.92  213.750 5.4221  215.448 7.5805  -1.697830      9.320029  
1 1 1 -3  30  10 o 295.317 7.3261  47286.84   2343.31  0.0000     0.0000   47286.84   2343.31  ?       ?       295.317 7.3261  0.000000       7.326077  
1 1 1 -3  30  11 o 545.167 18.277  162411.80  10791.89 162411.80  10791.89 0.0000     0.0000   545.167 18.277  ?       ?       0.000000       18.27668  
1 1 1 -3  30  12 o 769.871 12.720  322667.19  10606.54 322390.59  15000.03 322943.81  14999.81 767.511 18.044  768.177 18.028  -0.6653442     25.50709  
1 1 1 -3  30  13 o 490.106 8.2219  130432.20  4364.48  126674.70  6172.36  134189.50  6172.24  482.307 11.816  496.484 11.478  -14.17712      16.47285  
1 1 1 -3  30  14 o 257.762 4.6568  36019.06   1300.10  37293.59   2600.89  35594.51   1501.10  261.891 9.1692  256.192 5.4097  5.698517       10.64607  
1 1 1 -3  30  15 o 281.269 5.0331  42903.45   1533.30  44868.14   3062.15  42246.02   1771.35  287.068 9.8485  279.036 5.8610  8.032349       11.46061  
1 1 1 -3  30  16 o 64.504  2.3451  2254.08    163.842  2457.62    224.492  2022.09    239.666  67.345  3.0777  60.971  3.6460  6.374329       4.771282  
1 1 1 -3  30  17 o 149.913 3.3982  12180.94   551.771  11977.02   1245.17  12230.77   615.502  148.188 7.7852  150.204 3.7834  -2.016418      8.655827  
1 1 1 -3  30  18 o 242.838 4.4825  31986.96   1178.97  31026.71   2357.34  32307.26   1361.48  238.562 9.1233  243.988 5.1520  -5.425446      10.47744  
1 1 1 -3  30  19 o 47.228  3.8413  1217.50    194.790  1305.55    393.982  1189.02    224.096  48.369  7.7844  46.600  4.4958  1.769424       8.989416  
1 1 1 -3  30  20 o 235.971 4.4014  30216.41   1124.91  33307.70   2250.57  29186.90   1298.79  247.083 8.4097  231.827 5.1725  15.25638       9.873080  
1 1 1 -3  30  21 f 212.155 4.1044  24426.30   943.126  26141.02   1882.08  23851.34   1089.83  218.848 7.9401  209.562 4.8015  9.285217       9.278996  
1 1 1 -3  30  22 o 27.673  1.7094  416.487    50.983   412.059    52.414   494.291    219.715  27.521  1.7678  29.511  6.9828  -1.990561      7.203100  
1 1 1 -3  30  23 o 86.681  2.7757  4075.82    260.590  4237.32    420.216  3974.91    332.175  88.269  4.3953  85.553  3.5848  2.716522       5.671837  
1 1 1 -3  30  24 o 114.102 3.0054  7070.02    371.424  7051.73    722.758  7076.58    432.971  113.362 5.9069  114.099 3.5035  -0.7374725     6.867795  
1 1 1 -3  30  25 o 71.768  2.7171  2797.94    211.203  2725.25    295.240  2874.13    302.257  70.613  3.8751  72.524  3.8618  -1.910828      5.470813  
1 1 1 -3  30  26 o 107.439 3.0859  6282.31    359.097  7882.24    746.915  5801.31    409.534  119.608 5.7655  103.139 3.6660  16.46960       6.832368  
1 1 1 -3  30  27 o 58.868  4.1705  1907.30    264.191  1225.74    510.226  2156.97    308.813  45.113  10.619  62.517  4.5928  -17.40411      11.56927  
1 1 1 -3  30  28 o 16.756  1.5620  153.654    28.021   155.319    28.098   -148.6647  378.599  16.848  1.5574  19.175  8.6406  -2.327759      8.779874  
1 1 1 -3  30  29 o 61.950  5.4266  2154.25    360.444  2660.86    534.416  1731.46    488.203  67.938  7.3814  54.047  8.6301  13.89086       11.35621  
1 1 1 -3  30  30 o 55.034  4.5501  1692.42    268.788  1458.17    519.310  1778.13    314.139  48.177  10.266  56.149  5.2255  -7.972046      11.51955  
1 1 1 -3  30  31 o 27.715  7.6905  466.951    238.988  1037.41    467.204  264.786    278.130  39.832  10.631  22.748  8.4565  17.08414       13.58433  
1 1 1 -3  30  32 o 26.007  7.9262  423.870    243.459  59.405     471.694  556.222    284.247  22.426  9.9032  29.415  8.4655  -6.988523      13.02836  
1 1 1 -3  30  33 o 36.740  10.157  983.462    417.686  0.0000     0.0000   983.462    417.686  ?       ?       36.740  10.157  0.000000       10.15683  
1 1 1 -3  30  34 o 26.640  10.174  516.925    408.642  0.0000     0.0000   516.925    408.642  ?       ?       26.640  10.174  0.000000       10.17375  
1 1 1 -3  30  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  31  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  31  2  o 671.841 15.578  245281.80  11335.82 238322.20  16029.21 252245.00  16033.33 661.034 22.388  680.201 21.763  -19.16711      31.22260  
1 1 1 -3  31  3  o 153.597 3.1301  12778.10   520.730  12318.34   736.394  13237.93   736.453  150.797 4.5087  156.326 4.3495  -5.528961      6.264706  
1 1 1 -3  31  4  o 566.871 9.3053  174245.00  5713.26  176267.91  8079.87  172222.30  8079.67  569.798 13.092  563.205 13.245  6.593323       18.62366  
1 1 1 -3  31  5  o 410.716 7.0034  91420.98   3115.44  92659.28   4405.85  90182.61   4405.96  413.339 9.8413  407.769 9.9760  5.569672       14.01328  
1 1 1 -3  31  6  o 254.629 4.6122  35123.86   1271.99  35799.80   1798.63  34447.57   1799.10  257.026 6.4609  252.122 6.5883  4.904205       9.227654  
1 1 1 -3  31  7  o 765.523 17.868  319057.81  14815.39 315941.59  20952.91 322173.59  20951.35 759.698 25.464  767.234 25.212  -7.536926      35.83433  
1 1 1 -3  31  8  o 758.055 14.124  312324.09  11596.41 289450.59  14201.68 358089.50  20088.27 728.955 17.987  809.327 22.917  -80.37183      29.13269  
1 1 1 -3  31  9  o 534.993 8.9002  155249.91  5157.24  157551.59  7293.51  152948.20  7293.36  538.525 12.504  530.574 12.691  7.950928       17.81660  
1 1 1 -3  31  10 o 478.125 11.346  124182.80  5875.54  0.0000     0.0000   124182.80  5875.54  ?       ?       478.125 11.346  0.000000       11.34583  
1 1 1 -3  31  11 o 302.597 7.5696  49668.67   2480.88  49668.67   2480.88  0.0000     0.0000   302.597 7.5696  ?       ?       0.000000       7.569565  
1 1 1 -3  31  12 o 688.836 11.413  258112.50  8515.00  269097.81  12042.50 247128.80  12041.57 701.896 15.841  672.378 16.535  29.51813       22.89820  
1 1 1 -3  31  13 o 453.014 7.6282  111408.60  3742.85  111489.00  5294.02  111328.30  5292.35  452.625 10.799  452.298 10.803  0.3271179      15.27496  
1 1 1 -3  31  14 o 108.548 3.3555  6384.55    394.505  6255.03    685.522  6448.68    482.389  107.215 5.9263  109.077 4.0831  -1.862488      7.196749  
1 1 1 -3  31  15 o 342.448 6.3690  63654.66   2362.32  63277.63   6525.35  63711.53   2534.22  338.322 17.871  342.542 6.8306  -4.219940      19.13183  
1 1 1 -3  31  16 f 157.112 3.3510  13377.65   570.237  13975.40   1141.61  13178.93   658.234  160.416 6.5705  155.921 3.8977  4.495132       7.639619  
1 1 1 -3  31  17 o 124.952 3.0664  8461.09    415.000  8129.58    831.120  8571.21    478.986  122.183 6.3018  125.749 3.5168  -3.566223      7.216711  
1 1 1 -3  31  18 o 216.490 4.3450  25420.49   1018.81  24629.02   2594.22  25564.82   1107.82  211.854 11.347  217.074 4.7118  -5.220688      12.28641  
1 1 1 -3  31  19 o 335.872 5.8732  61285.40   2136.58  67712.13   4272.37  59142.11   2467.26  351.580 11.220  329.747 6.9082  21.83258       13.17576  
1 1 1 -3  31  20 o 275.195 5.3952  41142.14   1608.12  44511.88   4306.58  40596.16   1733.51  283.695 14.016  273.286 5.8565  10.40878       15.18995  
1 1 1 -3  31  21 o 57.957  3.6647  1829.48    228.862  1883.10    448.503  1810.60    266.116  58.329  7.2560  57.594  4.2970  0.7354851      8.432895  
1 1 1 -3  31  22 o 89.269  2.8041  4321.30    271.126  4245.70    592.390  4341.33    304.938  88.039  6.2531  89.461  3.1471  -1.421791      7.000401  
1 1 1 -3  31  23 o 138.300 3.3433  10384.85   500.806  10750.97   978.936  10255.07   582.851  140.228 6.4454  137.367 3.9175  2.860855       7.542526  
1 1 1 -3  31  24 o 76.272  2.3736  3156.14    196.084  3639.76    514.155  3073.83    212.116  81.330  5.8764  75.258  2.6023  6.072014       6.426765  
1 1 1 -3  31  25 o 86.523  2.8612  4068.44    268.129  4023.19    621.773  4078.77    297.182  85.092  6.8033  86.598  3.1684  -1.505829      7.504904  
1 1 1 -3  31  26 o 50.856  4.2365  1423.51    231.232  1152.67    481.581  1504.66    263.608  44.096  10.274  52.198  4.7135  -8.101295      11.30348  
1 1 1 -3  31  27 o 26.229  7.3825  397.287    218.596  38.775     431.380  521.154    253.563  22.954  9.8035  29.870  7.7655  -6.915422      12.50641  
1 1 1 -3  31  28 o 71.363  3.3521  2783.04    259.097  2628.78    297.192  3271.72    528.947  69.117  3.9868  76.199  6.4702  -7.081291      7.599914  
1 1 1 -3  31  29 o 17.031  2.0572  160.035    37.180   -304.9441  441.706  163.353    37.312   19.138  8.8848  17.212  2.0413  1.926430       9.116291  
1 1 1 -3  31  30 o 60.167  4.1331  2011.19    267.711  2080.93    535.232  1987.92    309.162  58.840  8.6572  59.542  4.8357  -0.7019081     9.916236  
1 1 1 -3  31  31 o 38.290  6.1718  856.995    247.258  1191.19    481.392  737.234    288.176  42.742  10.479  34.723  7.8472  8.018772       13.09168  
1 1 1 -3  31  32 o 23.225  7.9376  324.252    239.923  450.295    469.428  279.686    279.134  27.461  10.789  22.542  8.4536  4.919138       13.70677  
1 1 1 -3  31  33 o 14.797  7.2007  -483.7772  368.941  0.0000     0.0000   -483.7772  368.941  ?       ?       14.797  7.2007  0.000000       7.200709  
1 1 1 -3  31  34 o 17.564  8.1959  -144.1531  383.640  0.0000     0.0000   -144.1531  383.640  ?       ?       17.564  8.1959  0.000000       8.195882  
1 1 1 -3  31  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  31  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  32  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  32  3  o 269.857 4.8145  39450.66   1407.19  39917.42   1990.38  38984.19   1989.74  271.403 6.7710  268.210 6.8494  3.193451       9.631200  
1 1 1 -3  32  4  o 377.092 6.5523  77057.44   2676.14  75890.45   3784.61  78224.45   3784.65  374.101 9.3403  379.818 9.1998  -5.716583      13.11025  
1 1 1 -3  32  5  o 378.694 6.3169  77711.74   2590.97  74201.39   3663.77  81223.69   3664.60  369.917 9.1444  387.047 8.7416  -17.13016      12.65050  
1 1 1 -3  32  6  o 489.858 8.0966  130089.80  4295.79  133495.70  6075.19  126684.00  6075.15  495.979 11.309  483.133 11.610  12.84644       16.20739  
1 1 1 -3  32  7  o 391.545 6.6988  83088.28   2840.86  82914.23   4017.34  83262.36   4017.82  390.982 9.4866  391.803 9.4679  -0.8210754     13.40287  
1 1 1 -3  32  8  o 562.471 9.2932  171611.59  5661.58  167597.91  8006.22  175626.20  8007.15  555.380 13.310  568.570 13.002  -13.18945      18.60671  
1 1 1 -3  32  9  o 522.658 9.3517  148214.70  5293.94  154941.00  6923.19  138744.20  8215.01  534.066 11.969  504.935 15.021  29.13068       19.20624  
1 1 1 -3  32  10 o 154.671 4.6497  12962.88   778.935  0.0000     0.0000   12962.88   778.935  ?       ?       154.671 4.6497  0.000000       4.649654  
1 1 1 -3  32  11 o 290.837 7.2816  45881.70   2293.76  45881.70   2293.76  0.0000     0.0000   290.837 7.2816  ?       ?       0.000000       7.281608  
1 1 1 -3  32  12 o 109.913 2.9417  6544.43    350.194  6810.22    497.795  6284.01    492.743  112.106 4.0997  107.686 4.2247  4.420143       5.886891  
1 1 1 -3  32  13 o 296.031 5.6782  47525.95   1820.61  46806.44   2797.90  48054.33   2397.65  293.490 8.8017  297.521 7.4404  -4.030975      11.52522  
1 1 1 -3  32  14 o 118.427 3.4468  7599.86    442.114  7523.73    767.580  7637.66    540.838  117.603 6.0465  118.703 4.2066  -1.100288      7.365900  
1 1 1 -3  32  15 f 157.500 3.3449  13442.70   570.608  14063.91   1143.64  13236.80   658.418  160.948 6.5604  156.271 3.8900  4.677032       7.627009  
1 1 1 -3  32  16 o 194.827 4.0053  20577.97   845.196  21614.40   1598.17  20175.54   995.856  199.415 7.3994  192.869 4.7672  6.545593       8.802111  
1 1 1 -3  32  17 o 268.885 4.8367  39222.15   1408.59  40715.09   2817.40  38724.62   1626.45  273.269 9.5189  267.092 5.6223  6.177460       11.05530  
1 1 1 -3  32  18 o 117.863 3.0754  7528.98    392.601  7974.42    779.309  7377.48    454.488  121.171 5.9380  116.655 3.5971  4.515999       6.942571  
1 1 1 -3  32  19 o 184.993 3.9093  18559.74   783.284  18258.30   1894.63  18621.88   860.243  182.580 9.6147  185.276 4.2868  -2.695389      10.52702  
1 1 1 -3  32  20 f 411.966 7.0542  92412.57   3147.61  98096.31   6294.04  90517.05   3634.77  421.222 13.796  407.316 8.2390  13.90601       16.06882  
1 1 1 -3  32  21 o 61.532  2.1018  2051.61    140.077  1732.79    219.648  2270.16    181.858  56.401  3.6146  64.716  2.5945  -8.315037      4.449372  
1 1 1 -3  32  22 o 51.887  2.3244  1459.37    130.630  1538.99    421.208  1450.90    137.405  52.512  7.6289  51.733  2.4522  0.7789879      8.013291  
1 1 1 -3  32  23 o 26.026  6.4204  385.083    179.864  7.9610     351.115  519.255    209.430  20.850  8.8732  30.232  6.5825  -9.381929      11.04818  
1 1 1 -3  32  24 o 119.534 3.1351  7763.43    405.901  8549.47    804.252  7494.79    470.174  124.908 5.9447  117.372 3.6985  7.535858       7.001312  
1 1 1 -3  32  25 o 52.752  2.2293  1510.33    127.370  2082.70    479.818  1466.94    132.110  60.856  7.4341  51.982  2.3464  8.873165       7.795636  
1 1 1 -3  32  26 o 74.018  2.7381  2979.14    219.509  3592.75    564.390  2869.77    238.269  80.268  6.5489  72.614  3.0296  7.654282       7.215705  
1 1 1 -3  32  27 o 99.350  3.9952  5404.08    429.913  5427.12    556.258  5369.90    677.487  99.059  5.2028  98.006  6.4178  1.053230       8.261761  
1 1 1 -3  32  28 o 41.350  7.2460  991.006    312.690  759.791    464.728  1182.27    422.678  35.448  10.977  44.531  9.0715  -9.083286      14.24008  
1 1 1 -3  32  29 o 21.181  7.5075  231.227    215.689  168.026    436.276  251.671    248.135  24.391  10.101  22.267  8.0347  2.123196       12.90726  
1 1 1 -3  32  30 o 84.890  3.0021  3947.22    276.030  4070.17    636.495  3918.74    306.336  83.830  7.0763  84.467  3.3484  -0.6369781     7.828515  
1 1 1 -3  32  31 o 21.892  7.7087  263.316    227.045  121.569    455.459  310.188    261.907  23.483  10.052  23.509  8.2792  -0.2628136E-01 13.02288  
1 1 1 -3  32  32 o 22.946  7.7805  318.243    230.501  -14.4807   469.242  424.062    264.629  21.407  9.6353  25.851  8.3201  -4.444872      12.73038  
1 1 1 -3  32  33 o 54.716  7.0990  1874.65    410.796  0.0000     0.0000   1874.65    410.796  ?       ?       54.716  7.0990  0.000000       7.099005  
1 1 1 -3  32  34 o 8.2792  2.8475  35.104     30.890   0.0000     0.0000   35.104     30.890   ?       ?       8.2792  2.8475  0.000000       2.847548  
1 1 1 -3  32  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  33  1  o 382.904 6.5608  79450.04   2720.91  82858.43   3848.61  76043.98   3847.30  390.918 9.0897  374.478 9.4855  16.43991       13.13758  
1 1 1 -3  33  2  o 364.590 6.1656  72026.66   2434.74  69807.63   3443.39  74245.32   3443.09  358.823 8.8600  370.065 8.5901  -11.24237      12.34061  
1 1 1 -3  33  3  o 223.852 4.4610  27145.07   1081.60  26530.64   1436.53  27949.32   1643.52  221.277 5.9939  227.102 6.6816  -5.824356      8.976127  
1 1 1 -3  33  4  o 617.237 10.104  206645.09  6754.96  202209.50  9552.90  211080.80  9553.02  610.076 14.457  623.357 14.149  -13.28094      20.22892  
1 1 1 -3  33  5  o 406.674 6.9121  89632.25   3044.58  88436.90   4305.52  90827.77   4305.85  403.796 9.8445  409.226 9.7146  -5.430176      13.83068  
1 1 1 -3  33  6  o 596.113 9.8602  192755.41  6366.29  196594.00  9003.30  188916.70  9003.28  601.547 13.819  589.646 14.097  11.90106       19.74053  
1 1 1 -3  33  7  o 768.655 17.976  321824.31  14965.90 311904.69  21165.67 331742.69  21164.29 754.374 25.904  778.276 25.107  -23.90149      36.07520  
1 1 1 -3  33  8  o 317.341 5.4797  54569.86   1883.44  56105.18   2664.70  53037.07   2662.49  321.684 7.6480  312.754 7.8599  8.929504       10.96674  
1 1 1 -3  33  9  o 349.691 6.8822  66295.59   2606.64  71264.27   4515.77  63812.79   3192.14  362.204 11.511  342.976 8.5930  19.22751       14.36456  
1 1 1 -3  33  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  33  11 o 340.625 8.6271  62984.03   3182.81  62604.67   3645.53  64200.34   6527.64  339.468 9.9150  342.154 17.675  -2.685638      20.26572  
1 1 1 -3  33  12 o 51.645  3.1762  1450.46    176.803  1256.51    252.971  1635.66    247.204  47.891  4.9483  54.778  4.1985  -6.887180      6.489444  
1 1 1 -3  33  13 o 68.102  2.1783  2512.21    160.676  2627.24    229.206  2401.07    225.305  69.636  3.0389  66.571  3.1248  3.065636       4.358793  
1 1 1 -3  33  14 o 453.602 8.4628  111850.10  4157.74  109561.80  6443.58  113482.50  5442.28  447.699 13.288  456.302 11.012  -8.603607      17.25803  
1 1 1 -3  33  15 o 221.189 4.1560  26523.13   995.650  26500.63   1992.12  26530.62   1149.52  220.747 8.3320  221.182 4.7984  -0.4355927     9.614955  
1 1 1 -3  33  16 o 58.754  2.2827  1870.09    145.265  1993.63    396.095  1850.90    156.145  60.285  6.1525  58.449  2.4665  1.835171       6.628493  
1 1 1 -3  33  17 o 186.667 3.8930  18891.97   787.095  18162.58   1924.15  19038.55   862.564  182.215 9.7853  187.370 4.2503  -5.154282      10.66857  
1 1 1 -3  33  18 o 298.728 5.7232  48460.25   1851.77  49735.56   5022.76  48259.64   1992.10  299.648 15.529  298.042 6.1711  1.606323       16.71056  
1 1 1 -3  33  19 o 187.609 3.7377  19086.73   759.508  19721.97   1519.72  18875.24   876.869  190.336 7.3718  186.523 4.3404  3.813141       8.554661  
1 1 1 -3  33  20 o 169.971 3.5656  15667.77   656.415  15817.74   1313.79  15617.88   757.780  170.421 7.1176  169.659 4.1238  0.7618713      8.225881  
1 1 1 -3  33  21 o 150.525 3.5090  12291.42   572.095  12453.92   1102.27  12231.50   669.302  151.171 6.7320  150.110 4.1166  1.061584       7.890953  
1 1 1 -3  33  22 o 103.668 2.9647  5829.41    332.883  6428.11    608.880  5574.17    397.558  108.682 5.1725  101.332 3.6223  7.349907       6.314740  
1 1 1 -3  33  23 o 75.453  2.6226  3088.56    214.327  3313.08    315.777  2896.79    291.843  78.078  3.7341  72.916  3.7075  5.161247       5.262060  
1 1 1 -3  33  24 o 100.448 3.0123  5481.45    327.725  6008.31    655.506  5305.87    378.413  104.559 5.8112  98.766  3.5374  5.792435       6.803148  
1 1 1 -3  33  25 o 92.517  3.1992  4657.10    320.575  4781.31    651.856  4617.48    368.175  92.846  6.5236  92.051  3.6928  0.7947311      7.496231  
1 1 1 -3  33  26 o 57.289  2.9242  1790.54    180.844  1727.36    195.913  2154.49    470.219  56.221  3.2309  61.813  7.1557  -5.592762      7.851320  
1 1 1 -3  33  27 o 34.323  1.3331  638.776    49.560   728.797    70.521   550.933    69.663   36.644  1.7768  31.785  2.0342  4.859079       2.700942  
1 1 1 -3  33  28 o 59.643  4.0117  1961.48    257.651  1449.99    516.079  2131.29    297.360  48.930  10.074  62.057  4.4537  -13.12693      11.01432  
1 1 1 -3  33  29 o 21.877  7.6261  253.786    221.911  280.396    438.687  244.635    257.253  26.093  10.373  22.248  8.1574  3.844885       13.19654  
1 1 1 -3  33  30 o 48.339  2.3835  1274.66    124.793  1255.89    137.638  1361.35    295.838  47.867  2.6654  48.842  5.6995  -0.9751167     6.291971  
1 1 1 -3  33  31 o 75.962  3.6478  3191.81    300.119  2926.46    601.720  3279.68    346.264  69.573  8.1389  76.641  4.1872  -7.068161      9.152856  
1 1 1 -3  33  32 o 36.974  6.3078  825.808    243.545  303.454    493.627  993.870    279.996  25.307  10.632  40.431  6.6234  -15.12359      12.52668  
1 1 1 -3  33  33 o 15.995  7.5639  -249.1533  346.151  0.0000     0.0000   -249.1533  346.151  ?       ?       15.995  7.5639  0.000000       7.563885  
1 1 1 -3  33  34 o 18.754  8.4221  28.723     356.206  0.0000     0.0000   28.723     356.206  ?       ?       18.754  8.4221  0.000000       8.422123  
1 1 1 -3  33  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  34  1  o 321.856 5.5303  56125.72   1927.86  54981.64   2726.63  57269.44   2726.19  318.483 7.9044  325.047 7.7435  -6.564667      11.06538  
1 1 1 -3  34  2  o 358.174 6.6592  69521.71   2583.37  68639.73   3391.54  70740.69   3987.19  355.806 8.8006  361.138 10.193  -5.332123      13.46693  
1 1 1 -3  34  3  o 650.736 12.407  229866.80  8744.49  223216.30  10709.09 243172.91  15147.81 640.840 15.429  667.849 20.941  -27.00928      26.01118  
1 1 1 -3  34  4  o 445.535 7.5115  107594.80  3624.77  108190.60  5126.40  106999.00  5125.99  446.570 10.599  444.100 10.657  2.470398       15.02996  
1 1 1 -3  34  5  o 760.235 25.205  316273.50  20754.12 316273.50  20754.12 0.0000     0.0000   760.235 25.205  ?       ?       0.000000       25.20497  
1 1 1 -3  34  6  o 828.664 27.485  376774.41  24668.91 376774.41  24668.91 0.0000     0.0000   828.664 27.485  ?       ?       0.000000       27.48535  
1 1 1 -3  34  7  o 373.495 6.3827  75603.79   2582.03  78340.80   3651.47  72866.57   3651.60  380.060 8.8704  366.521 9.1985  13.53961       12.77875  
1 1 1 -3  34  8  o 412.899 7.0019  92423.01   3131.33  90367.23   4428.41  94478.70   4428.33  408.060 10.020  417.259 9.7986  -9.198975      14.01453  
1 1 1 -3  34  9  o 219.962 4.7048  26216.53   1120.89  26930.83   1942.43  25859.93   1372.45  222.821 8.0486  218.430 5.8012  4.390991       9.921343  
1 1 1 -3  34  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  34  11 o 159.639 3.3593  13806.63   580.844  13886.53   822.983  13727.32   819.901  160.070 4.7469  159.150 4.7565  0.9204865      6.719917  
1 1 1 -3  34  12 o 276.203 4.9396  41355.30   1477.70  42336.32   2091.42  40377.36   2088.15  279.327 6.9129  272.776 7.0678  6.551025       9.886470  
1 1 1 -3  34  13 o 230.986 4.5954  28923.61   1149.69  29816.21   1525.59  27750.38   1749.04  234.438 6.0081  226.089 7.1425  8.348572       9.333436  
1 1 1 -3  34  14 o 528.413 9.5955  151974.00  5491.78  155215.20  8525.46  149675.20  7179.85  532.187 14.791  523.429 12.664  8.757385       19.47172  
1 1 1 -3  34  15 o 291.894 5.1693  46218.89   1634.29  50807.80   3269.73  44690.70   1886.89  305.362 9.8861  286.936 6.0714  18.42548       11.60164  
1 1 1 -3  34  16 o 105.274 2.8379  6005.26    323.581  6111.07    661.813  5972.02    370.941  105.946 5.7893  104.973 3.2625  0.9729309      6.645339  
1 1 1 -3  34  17 o 180.423 3.6409  17647.01   711.493  17417.36   1425.00  17723.27   821.175  178.964 7.3515  180.783 4.1938  -1.818665      8.463644  
1 1 1 -3  34  18 o 193.116 3.8163  20221.66   798.228  18903.35   1595.86  20661.53   921.828  186.335 7.9073  195.168 4.3608  -8.833206      9.030123  
1 1 1 -3  34  19 o 138.359 3.3241  10378.39   498.143  10936.56   1079.66  10227.43   561.480  141.762 7.0316  137.327 3.7749  4.434662       7.980834  
1 1 1 -3  34  20 o 95.548  2.8466  4948.72    294.592  5002.69    631.790  4933.73    333.009  95.713  6.1266  95.391  3.2231  0.3215942      6.922689  
1 1 1 -3  34  21 o 173.592 3.5950  16349.75   675.920  17209.77   1352.96  16063.71   780.270  177.630 7.0323  172.009 4.1882  5.620880       8.185022  
1 1 1 -3  34  22 o 28.152  6.0274  448.575    178.242  438.096    360.528  451.965    205.055  29.027  9.7312  28.206  6.7932  0.8216305      11.86772  
1 1 1 -3  34  23 o 55.994  3.4175  1709.48    206.269  2014.03    426.412  1616.45    235.678  60.279  6.6414  54.369  4.0309  5.910099       7.768979  
1 1 1 -3  34  24 o 41.627  1.6861  939.403    76.022   979.870    81.115   647.190    217.970  42.513  1.7616  33.826  6.1771  8.686718       6.423368  
1 1 1 -3  34  25 o 79.277  2.8405  3416.57    243.901  3379.60    354.852  3449.68    335.793  78.564  4.1853  79.527  3.8984  -0.9632034     5.719604  
1 1 1 -3  34  26 o 75.181  3.3565  3080.93    273.319  3087.85    317.553  3061.14    536.859  75.078  3.9187  73.919  6.7811  1.158295       7.831973  
1 1 1 -3  34  27 o 69.168  5.0251  2650.52    373.888  3047.68    546.196  2300.32    512.889  73.475  6.9458  63.484  7.6109  9.990967       10.30388  
1 1 1 -3  34  28 o 27.760  7.4646  452.786    229.304  584.611    442.313  404.335    268.152  31.798  10.778  26.526  8.3583  5.272215       13.63915  
1 1 1 -3  34  29 o 13.584  6.2319  -132.8641  208.282  -819.0709  427.992  80.078     238.418  15.117  7.4386  18.224  7.4997  -3.106843      10.56306  
1 1 1 -3  34  30 o 52.855  2.3234  1523.48    133.007  1586.12    148.675  1272.39    297.663  53.893  2.5471  47.074  5.9725  6.818802       6.492960  
1 1 1 -3  34  31 o 42.375  5.6151  1038.11    251.362  1162.87    499.433  995.784    290.889  41.596  10.939  40.909  6.8041  0.6874619      12.88288  
1 1 1 -3  34  32 o 21.166  7.7308  254.551    230.723  -110.8504  476.222  366.629    263.745  20.407  9.3846  24.216  8.3211  -3.809429      12.54237  
1 1 1 -3  34  33 o 47.054  7.9656  1442.09    391.479  0.0000     0.0000   1442.09    391.479  ?       ?       47.054  7.9656  0.000000       7.965611  
1 1 1 -3  34  34 o 34.221  9.7893  887.676    381.157  0.0000     0.0000   887.676    381.157  ?       ?       34.221  9.7893  0.000000       9.789334  
1 1 1 -3  34  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  35  1  o 70.340  2.0977  2679.64    159.817  2835.47    205.296  2439.94    254.614  72.355  2.6196  67.024  3.5197  5.331390       4.387565  
1 1 1 -3  35  2  o 686.184 12.593  255616.41  9359.43  244756.91  16209.77 261047.41  11463.35 669.687 22.348  693.036 15.272  -23.34851      27.06746  
1 1 1 -3  35  3  o 396.023 6.7479  84995.13   2894.39  87002.68   4093.65  82988.30   4092.91  400.534 9.4363  391.172 9.6604  9.362885       13.50431  
1 1 1 -3  35  4  o 669.181 12.019  243082.59  8711.40  254612.00  13545.18 234949.91  11376.29 683.806 18.289  657.296 15.980  26.50970       24.28634  
1 1 1 -3  35  5  o 433.545 7.3210  101884.20  3437.76  105519.70  4861.94  98249.35   4861.52  441.023 10.178  425.531 10.548  15.49228       14.65810  
1 1 1 -3  35  6  o 600.207 9.7887  195433.70  6363.49  186020.20  8998.87  204849.00  8999.79  585.011 14.202  614.008 13.533  -28.99701      19.61728  
1 1 1 -3  35  7  o 434.131 7.3501  102176.10  3456.10  104521.10  4887.86  99831.59   4887.46  438.857 10.283  428.878 10.522  9.979126       14.71208  
1 1 1 -3  35  8  o 716.679 11.788  279039.91  9150.47  278590.00  12940.71 279489.91  12940.74 714.960 16.711  716.121 16.684  -1.161255      23.61400  
1 1 1 -3  35  9  o 358.490 8.6908  69736.95   3374.49  0.0000     0.0000   69736.95   3374.49  ?       ?       358.490 8.6908  0.000000       8.690822  
1 1 1 -3  35  10 o 171.302 4.9553  15903.57   919.404  15903.57   919.404  0.0000     0.0000   171.302 4.9553  ?       ?       0.000000       4.955338  
1 1 1 -3  35  11 o 317.017 5.5250  54486.20   1897.09  57306.77   2683.51  51668.24   2682.27  324.955 7.6245  308.520 8.0269  16.43570       11.07087  
1 1 1 -3  35  12 o 554.783 9.2146  167293.30  5536.94  177082.80  7831.31  157508.30  7829.51  569.850 12.688  537.201 13.456  32.64911       18.49505  
1 1 1 -3  35  13 o 35.195  4.1088  680.505    153.676  1012.30    230.905  416.678    205.900  42.910  5.0659  27.191  6.9616  15.71972       8.609703  
1 1 1 -3  35  14 o 327.952 6.1490  58369.25   2184.17  58562.38   2872.50  58104.55   3362.92  328.241 8.0797  326.727 9.5030  1.514648       12.47354  
1 1 1 -3  35  15 o 465.628 9.5595  118104.30  4821.07  132854.50  12479.44 115516.70  5226.85  486.598 23.679  460.226 10.486  26.37231       25.89638  
1 1 1 -3  35  16 o 325.426 6.0586  57501.55   2135.47  57968.09   3971.28  57311.78   2532.82  325.702 11.257  324.713 7.2017  0.9884033      13.36393  
1 1 1 -3  35  17 o 32.343  4.7963  579.820    162.924  529.576    328.096  596.265    187.702  30.948  9.1497  32.701  5.4945  -1.752705      10.67272  
1 1 1 -3  35  18 o 158.264 3.4061  13578.34   583.862  13364.87   1169.83  13649.16   673.783  156.769 6.8896  158.650 3.9211  -1.881073      7.927250  
1 1 1 -3  35  19 o 115.371 3.0569  7215.17    381.986  7223.29    766.001  7212.48    440.691  115.104 6.1667  115.331 3.5279  -0.2272415     7.104525  
1 1 1 -3  35  20 o 195.436 4.0793  20726.10   863.486  23540.37   1638.49  19643.95   1016.03  207.830 7.2789  190.178 4.9326  17.65181       8.792781  
1 1 1 -3  35  21 o 334.460 5.8443  60894.22   2117.14  63942.47   4234.52  59878.30   2444.61  340.221 11.491  331.352 6.8116  8.868988       13.35856  
1 1 1 -3  35  22 o 238.033 4.4317  30807.54   1142.54  30570.02   2281.26  30887.07   1320.04  235.671 8.9371  238.181 5.1169  -2.510147      10.29830  
1 1 1 -3  35  23 o 177.230 3.6347  17073.65   697.710  17600.65   1396.02  16898.18   805.530  178.979 7.2014  176.204 4.2208  2.775314       8.347219  
1 1 1 -3  35  24 o 25.061  6.4579  358.510    176.383  144.598    421.109  404.023    194.242  24.545  10.018  26.576  6.7386  -2.030497      12.07386  
1 1 1 -3  35  25 o 66.511  5.0791  2439.33    363.126  2929.87    528.984  2002.18    499.370  72.439  6.8226  59.417  7.9597  13.02139       10.48350  
1 1 1 -3  35  26 o 49.874  6.1225  1396.30    323.786  1888.14    477.043  976.183    440.895  57.523  7.8626  40.482  10.091  17.04149       12.79261  
1 1 1 -3  35  27 o 92.543  3.3778  4676.57    338.571  4500.89    664.692  4738.12    393.436  89.379  6.9201  93.021  3.9050  -3.642509      7.945875  
1 1 1 -3  35  28 o 59.558  4.0490  1957.93    259.641  2634.83    521.789  1735.18    299.329  67.853  7.2104  55.768  5.0090  12.08496       8.779502  
1 1 1 -3  35  29 o 46.126  4.8832  1194.58    240.252  1512.21    491.369  1094.79    275.419  49.823  9.4515  43.756  5.9670  6.066303       11.17744  
1 1 1 -3  35  30 o 4.2127  2.0145  -35.8365   25.968   0.0000     0.0000   -35.8365   25.968   ?       ?       4.2127  2.0145  0.000000       2.014512  
1 1 1 -3  35  31 o 46.393  5.2071  1233.30    257.128  1176.08    512.919  1252.50    297.165  41.519  11.164  46.316  6.0698  -4.797668      12.70742  
1 1 1 -3  35  32 o 16.427  7.0917  32.761     230.344  157.371    465.064  -7.7439    265.151  22.888  9.9779  16.756  7.4108  6.132036       12.42895  
1 1 1 -3  35  33 o 31.951  10.135  757.332    393.758  0.0000     0.0000   757.332    393.758  ?       ?       31.951  10.135  0.000000       10.13499  
1 1 1 -3  35  34 o 28.664  10.193  642.579    397.922  0.0000     0.0000   642.579    397.922  ?       ?       28.664  10.193  0.000000       10.19316  
1 1 1 -3  35  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  36  1  o 339.742 6.7845  62554.01   2496.52  67897.86   4323.43  59880.83   3057.84  353.728 11.285  332.334 8.4951  21.39352       14.12484  
1 1 1 -3  36  2  o 115.837 2.7421  7267.57    344.039  7023.88    487.238  7509.87    485.853  113.871 3.9505  117.746 3.8097  -3.874527      5.488217  
1 1 1 -3  36  3  o 371.599 6.2961  74829.34   2534.05  75368.45   3584.03  74290.43   3583.36  372.815 8.8758  370.136 8.9384  2.679230       12.59662  
1 1 1 -3  36  4  f 308.771 5.4906  51657.79   1836.24  51165.68   2597.03  52149.75   2596.63  307.216 7.8048  310.159 7.7296  -2.943359      10.98459  
1 1 1 -3  36  5  o 410.346 6.9547  91267.52   3091.01  90430.44   4371.34  92104.62   4371.34  408.280 9.8852  412.049 9.7948  -3.768555      13.91603  
1 1 1 -3  36  6  o 275.434 4.8926  41103.07   1459.57  38908.16   2063.90  43299.04   2064.39  267.910 7.1126  282.637 6.7436  -14.72702      9.801300  
1 1 1 -3  36  7  o 304.389 5.2601  50206.05   1734.18  50960.85   2452.84  49451.68   2452.15  306.580 7.3868  302.001 7.4967  4.579010       10.52448  
1 1 1 -3  36  8  o 710.004 13.442  274216.09  10337.30 294015.91  17904.36 264315.59  12660.68 732.240 22.575  696.205 16.790  36.03491       28.13452  
1 1 1 -3  36  9  o 610.359 32.501  208306.09  21408.60 0.0000     0.0000   208306.09  21408.60 ?       ?       610.359 32.501  0.000000       32.50128  
1 1 1 -3  36  10 o 210.781 5.6532  24085.55   1290.60  24085.55   1290.60  0.0000     0.0000   210.781 5.6532  ?       ?       0.000000       5.653172  
1 1 1 -3  36  11 o 161.788 3.3872  14181.71   593.545  14794.54   843.273  13580.02   835.580  165.213 4.7125  158.281 4.8740  6.931320       6.779680  
1 1 1 -3  36  12 o 202.306 3.9006  22179.87   854.692  21950.12   1211.63  22407.43   1205.83  201.184 5.5604  203.273 5.4769  -2.089218      7.804786  
1 1 1 -3  36  13 o 288.758 5.1256  45216.47   1603.05  44959.36   2268.40  45472.98   2265.70  287.738 7.2787  289.382 7.2287  -1.644287      10.25835  
1 1 1 -3  36  14 f 289.333 5.4878  45415.10   1719.75  44831.45   2267.81  46204.95   2638.19  287.274 7.2885  291.500 8.3560  -4.225342      11.08806  
1 1 1 -3  36  15 o 99.000  3.1669  5311.24    339.572  4914.23    618.039  5482.91    406.413  94.955  6.0408  100.574 3.7309  -5.619545      7.100021  
1 1 1 -3  36  16 o 24.390  1.0131  322.171    26.763   85.036     290.505  324.201    26.877   20.462  8.3329  24.466  1.0143  -4.004467      8.394423  
1 1 1 -3  36  17 o 77.886  2.9553  3287.48    249.308  3753.00    498.547  3132.25    287.889  82.957  5.5810  76.014  3.4967  6.943100       6.585959  
1 1 1 -3  36  18 f 74.269  3.0038  2989.52    241.628  3066.46    492.268  2965.10    277.336  74.875  6.1237  73.955  3.4623  0.9201660      7.034715  
1 1 1 -3  36  19 o 55.005  3.5807  1647.62    212.161  1227.94    418.724  1792.58    246.088  46.715  8.5923  57.348  3.9867  -10.63264      9.472113  
1 1 1 -3  36  20 o 39.554  4.6393  861.126    194.976  727.544    380.620  908.649    227.024  35.833  9.6094  40.550  5.2955  -4.716766      10.97191  
1 1 1 -3  36  21 o 224.873 4.2719  27465.13   1040.47  29930.02   2078.37  26640.79   1201.92  233.834 8.2062  221.352 5.0133  12.48257       9.616421  
1 1 1 -3  36  22 o 124.864 3.1684  8461.82    428.493  8986.08    876.577  8297.22    491.176  128.260 6.3100  123.598 3.6691  4.662109       7.299187  
1 1 1 -3  36  23 o 37.312  4.7605  771.079    188.001  1176.54    364.286  623.886    219.489  45.630  7.6410  33.208  6.3335  12.42222       9.924671  
1 1 1 -3  36  24 f 43.829  6.3061  1077.42    290.744  1350.49    464.616  901.670    372.746  48.390  9.2011  39.435  8.9339  8.955200       12.82477  
1 1 1 -3  36  25 o 43.465  6.9209  1071.41    314.891  1339.01    466.019  846.584    427.160  47.970  9.3053  37.908  10.186  10.06151       13.79642  
1 1 1 -3  36  26 o 42.547  5.1738  1010.45    233.517  829.132    465.350  1071.48    269.968  37.304  10.859  43.656  5.8572  -6.352169      12.33829  
1 1 1 -3  36  27 o 25.580  7.3739  377.784    215.510  453.686    440.124  353.846    247.168  29.530  10.694  25.114  8.0366  4.416292       13.37697  
1 1 1 -3  36  28 o 69.714  3.7037  2672.55    278.653  2646.52    563.063  2681.00    320.676  67.642  7.8302  69.650  4.2714  -2.008430      8.919513  
1 1 1 -3  36  29 o 74.912  3.5181  3081.84    285.450  2544.15    594.244  3243.12    325.458  65.437  8.5921  76.619  3.9351  -11.18227      9.450379  
1 1 1 -3  36  30 o 56.297  2.3336  1728.90    142.292  1831.27    163.455  1408.56    289.142  57.888  2.6070  49.758  5.4546  8.130604       6.045538  
1 1 1 -3  36  31 o 60.436  4.1554  2048.88    270.355  1918.15    553.546  2089.84    309.821  54.552  9.7252  60.723  4.7485  -6.171169      10.82257  
1 1 1 -3  36  32 o 17.812  7.6638  59.413     267.154  0.0000     0.0000   59.413     267.154  ?       ?       17.812  7.6638  0.000000       7.663820  
1 1 1 -3  36  33 o 53.032  7.6644  1813.07    427.466  0.0000     0.0000   1813.07    427.466  ?       ?       53.032  7.6644  0.000000       7.664382  
1 1 1 -3  36  34 o 25.916  9.9308  498.032    390.186  0.0000     0.0000   498.032    390.186  ?       ?       25.916  9.9308  0.000000       9.930818  
1 1 1 -3  36  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  37  1  o 709.899 13.438  273733.41  10332.24 279544.31  12654.21 262110.80  17896.38 716.893 16.297  692.450 23.862  24.44263       28.89620  
1 1 1 -3  37  2  o 229.973 4.2162  28649.97   1050.19  29204.02   1486.00  28097.13   1484.37  232.153 5.9098  227.708 6.0186  4.444504       8.435001  
1 1 1 -3  37  3  o 541.623 8.9365  159085.20  5242.46  165292.30  7414.44  152879.70  7413.49  551.739 12.407  530.561 12.901  21.17737       17.89888  
1 1 1 -3  37  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  37  5  o 480.674 8.1184  125280.00  4226.62  123861.90  5977.49  126697.90  5977.21  477.641 11.554  483.092 11.423  -5.450745      16.24807  
1 1 1 -3  37  6  o 129.139 2.9463  9033.03    412.099  9108.55    583.387  8957.82    582.206  129.666 4.1539  128.589 4.1803  1.077652       5.893199  
1 1 1 -3  37  7  o 519.102 8.6103  146182.00  4841.06  146534.30  6846.31  145829.59  6846.28  519.281 12.173  518.027 12.202  1.254456       17.23549  
1 1 1 -3  37  8  o 84.126  3.1758  3833.67    289.370  3975.75    496.891  3760.76    355.959  85.479  5.3946  83.316  3.9446  2.163513       6.682957  
1 1 1 -3  37  9  o 632.144 14.863  217850.09  10176.09 214438.50  14391.63 221261.30  14390.70 625.013 21.259  635.013 20.923  -9.999207      29.82858  
1 1 1 -3  37  10 o 547.045 12.966  163020.50  7682.47  163020.50  7682.47  0.0000     0.0000   547.045 12.966  ?       ?       0.000000       12.96606  
1 1 1 -3  37  11 o 241.324 4.4142  31563.71   1153.79  33333.43   1633.66  29802.44   1629.75  247.907 6.0842  234.389 6.4197  13.51799       8.844739  
1 1 1 -3  37  12 o 241.368 4.4339  31579.73   1159.13  31943.26   1640.14  31216.98   1638.38  242.642 6.2409  239.863 6.3064  2.778931       8.872358  
1 1 1 -3  37  13 o 198.014 3.8424  21250.86   824.083  21969.52   1166.74  20535.41   1164.13  201.260 5.3523  194.571 5.5240  6.689392       7.691687  
1 1 1 -3  37  14 o 83.208  2.5832  3750.99    232.806  4473.10    363.847  3250.42    302.935  90.846  3.6978  77.442  3.6116  13.40343       5.168907  
1 1 1 -3  37  15 o 146.124 3.4410  11572.55   544.596  11567.80   744.183  11578.03   799.096  146.043 4.7047  146.091 5.0502  -0.4792786E-01 6.902041  
1 1 1 -3  37  16 o 227.493 4.5446  28069.94   1119.79  29356.92   2105.15  27562.09   1322.39  232.227 8.3695  225.354 5.4178  6.872894       9.970041  
1 1 1 -3  37  17 o 64.052  3.0648  2223.50    212.623  2395.65    433.760  2169.06    243.941  66.129  6.1256  63.153  3.5811  2.976349       7.095541  
1 1 1 -3  37  18 o 177.624 3.6258  17106.96   697.542  16385.59   1393.93  17347.94   805.675  173.503 7.4176  178.837 4.1594  -5.333618      8.504230  
1 1 1 -3  37  19 o 59.901  3.3008  1951.34    213.324  1669.26    437.411  2039.37    244.354  54.844  7.5650  61.209  3.7032  -6.365345      8.422761  
1 1 1 -3  37  20 o 84.524  3.0464  3873.73    278.891  3739.60    559.964  3917.97    321.618  82.647  6.3031  84.989  3.4939  -2.342468      7.206645  
1 1 1 -3  37  21 o 68.219  2.5231  2522.98    186.427  2648.97    255.567  2379.70    272.547  69.872  3.3770  66.098  3.8233  3.774017       5.101204  
1 1 1 -3  37  22 o 123.164 3.1798  8234.12    424.180  8700.89    832.767  8070.60    492.916  126.215 6.0918  121.881 3.7339  4.333817       7.145079  
1 1 1 -3  37  23 o 85.752  3.1305  3994.57    290.756  4213.66    411.191  3775.48    411.191  87.951  4.3165  83.097  4.5864  4.853676       6.298210  
1 1 1 -3  37  24 o 131.115 4.5842  9391.20    651.003  9365.21    940.713  9415.09    901.832  130.133 6.6969  130.755 6.3679  -0.6226196     9.241146  
1 1 1 -3  37  25 o 137.382 3.7372  10293.91   556.097  11032.33   985.474  9948.93    673.589  141.243 6.4418  134.811 4.6132  6.432449       7.923261  
1 1 1 -3  37  26 o 82.514  3.3359  3713.41    298.134  3398.31    607.717  3813.29    342.134  77.589  7.3180  83.532  3.7816  -5.943039      8.237350  
1 1 1 -3  37  27 o 44.729  2.1763  1087.41    105.433  1029.49    473.628  1090.43    108.146  41.118  10.575  44.787  2.2294  -3.669086      10.80751  
1 1 1 -3  37  28 o 5.6092  2.3960  -0.8843    25.775   130.574    433.670  -1.3504    25.821   23.916  10.002  5.5893  2.3931  18.32686       10.28405  
1 1 1 -3  37  29 o 69.371  2.8305  2630.44    212.670  2434.93    281.778  2889.23    324.182  66.346  3.9389  72.203  4.1630  -5.857323      5.731080  
1 1 1 -3  37  30 o 56.663  2.5361  1754.23    155.643  1777.34    180.640  1687.60    306.655  56.875  2.9425  54.568  5.2534  2.306713       6.021279  
1 1 1 -3  37  31 o 27.469  7.4997  468.438    229.393  111.589    480.160  573.972    261.119  23.345  10.158  30.234  7.8902  -6.889124      12.86264  
1 1 1 -3  37  32 o 56.836  2.4063  1776.51    148.132  0.0000     0.0000   1776.51    148.132  ?       ?       56.836  2.4063  0.000000       2.406328  
1 1 1 -3  37  33 o 49.234  7.5857  1564.53    391.519  0.0000     0.0000   1564.53    391.519  ?       ?       49.234  7.5857  0.000000       7.585680  
1 1 1 -3  37  34 o 18.655  8.3702  39.640     350.963  0.0000     0.0000   39.640     350.963  ?       ?       18.655  8.3702  0.000000       8.370214  
1 1 1 -3  37  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  38  1  o 372.917 6.2933  75363.67   2541.91  78384.57   3595.59  72345.40   3594.03  380.198 8.7315  365.238 9.0852  14.95959       12.60082  
1 1 1 -3  38  2  o 339.879 5.9146  62597.14   2177.32  62479.16   3079.63  62715.05   3078.75  339.454 8.3762  340.095 8.3580  -0.6411133     11.83290  
1 1 1 -3  38  3  o 555.444 9.2452  167336.09  5561.96  171040.59  7866.18  163632.41  7865.41  561.145 12.943  548.821 13.232  12.32410       18.50920  
1 1 1 -3  38  4  o 386.577 6.5495  80995.98   2742.28  78307.98   3878.12  83684.13   3878.22  379.944 9.4239  392.791 9.1159  -12.84695      13.11146  
1 1 1 -3  38  5  o 248.880 4.4299  33557.89   1194.15  34036.99   1689.34  33079.43   1688.23  250.602 6.2239  247.049 6.3092  3.552887       8.862475  
1 1 1 -3  38  6  o 337.525 5.7938  61741.71   2118.08  62365.90   2995.55  61117.62   2995.29  339.102 8.1560  335.686 8.2383  3.415863       11.59262  
1 1 1 -3  38  7  o 144.452 3.5270  11303.78   551.821  9964.70    950.174  11985.28   677.850  135.576 6.4707  148.733 4.2078  -13.15678      7.718503  
1 1 1 -3  38  8  o 153.315 4.6166  12737.17   766.623  12294.21   1086.75  13175.94   1081.61  150.577 6.6635  155.890 6.4059  -5.313492      9.243248  
1 1 1 -3  38  9  o 326.977 11.410  58142.68   4040.72  58142.68   4040.72  0.0000     0.0000   326.977 11.410  ?       ?       0.000000       11.40962  
1 1 1 -3  38  10 o 171.472 3.5017  15930.43   650.338  17216.63   922.409  14659.15   917.047  178.225 4.7784  164.444 5.1488  13.78064       7.024474  
1 1 1 -3  38  11 o 178.069 3.5782  17181.37   690.119  17857.62   976.868  16507.59   975.085  181.492 4.9694  174.490 5.1594  7.002487       7.163467  
1 1 1 -3  38  12 o 224.106 4.1793  27222.03   1014.44  27624.98   1435.73  26820.31   1433.54  225.663 5.8741  222.347 5.9526  3.315979       8.362967  
1 1 1 -3  38  13 o 196.206 3.8054  20864.60   808.690  20633.81   1145.03  21094.28   1142.30  195.038 5.4204  197.206 5.3480  -2.168457      7.614523  
1 1 1 -3  38  14 o 262.807 5.4797  37474.01   1559.78  36975.20   2207.62  37971.23   2204.10  260.800 7.8153  264.304 7.6994  -3.504181      10.97088  
1 1 1 -3  38  15 o 175.251 3.5699  16647.32   677.618  16555.10   961.148  16738.46   955.471  174.687 5.0800  175.655 5.0221  -0.9682465     7.143372  
1 1 1 -3  38  16 o 341.122 6.3645  63210.49   2351.48  64605.99   4370.13  62641.80   2789.77  343.607 11.743  339.365 7.5898  4.241577       13.98188  
1 1 1 -3  38  17 o 208.537 4.1212  23584.08   930.844  20358.70   2340.90  24189.87   1014.50  192.556 11.273  211.175 4.4355  -18.61850      12.11451  
1 1 1 -3  38  18 o 262.869 4.7514  37502.24   1352.79  40612.67   2705.47  36465.31   1562.09  272.757 9.1579  259.106 5.5662  13.65100       10.71681  
1 1 1 -3  38  19 o 259.677 5.0212  36619.42   1412.25  35908.15   2643.22  36903.59   1670.71  256.221 9.5246  260.541 5.9205  -4.320251      11.21474  
1 1 1 -3  38  20 o 154.413 3.4848  12933.86   582.820  12979.50   1324.12  12922.90   649.077  153.946 7.9685  154.317 3.8834  -0.3705292     8.864427  
1 1 1 -3  38  21 o 70.160  3.2550  2670.79    247.350  2724.06    484.237  2651.99    287.718  70.378  6.4233  69.784  3.8211  0.5944519      7.473970  
1 1 1 -3  38  22 f 108.305 2.9694  6366.08    348.325  6537.65    706.243  6310.93    400.415  109.235 5.9922  107.796 3.4295  1.438622       6.904191  
1 1 1 -3  38  23 o 54.567  4.9517  1638.65    289.467  1594.18    408.437  1683.52    410.306  53.328  7.2600  54.873  7.0679  -1.545208      10.13230  
1 1 1 -3  38  24 o 38.458  1.9489  804.340    80.913   809.806    82.268   642.477    447.664  38.587  1.9751  33.795  10.816  4.791401       10.99453  
1 1 1 -3  38  25 o 44.023  2.1310  1052.04    101.608  1049.56    112.317  1063.19    238.436  43.895  2.3712  43.720  5.1329  0.1749382      5.654158  
1 1 1 -3  38  26 o 97.549  3.0325  5184.40    320.403  5828.48    692.130  5008.73    361.466  102.250 6.2800  95.790  3.4840  6.459938       7.181693  
1 1 1 -3  38  27 o 42.856  5.2979  1030.96    240.679  1156.98    468.144  985.685    280.602  43.723  10.090  41.547  6.4444  2.176506       11.97275  
1 1 1 -3  38  28 o 53.094  4.4049  1565.69    251.023  1799.17    501.218  1487.53    290.017  55.116  8.6834  51.464  5.2776  3.652390       10.16145  
1 1 1 -3  38  29 o 25.896  1.4368  365.171    40.141   368.894    40.643   217.202    256.202  26.027  1.4475  21.502  8.0920  4.525354       8.220417  
1 1 1 -3  38  30 f 79.778  2.9479  3489.67    254.725  3293.30    618.810  3529.74    279.504  74.514  7.7822  80.139  3.2201  -5.624855      8.422105  
1 1 1 -3  38  31 o 45.290  5.2908  1186.59    254.641  1379.39    510.181  1122.63    293.862  44.902  10.651  43.389  6.4492  1.512558       12.45152  
1 1 1 -3  38  32 f 32.272  7.8319  678.189    270.986  0.0000     0.0000   678.189    270.986  ?       ?       32.272  7.8319  0.000000       7.831948  
1 1 1 -3  38  33 o 25.196  9.4888  428.426    352.403  0.0000     0.0000   428.426    352.403  ?       ?       25.196  9.4888  0.000000       9.488791  
1 1 1 -3  38  34 o 15.745  7.4624  -217.4956  340.593  0.0000     0.0000   -217.4956  340.593  ?       ?       15.745  7.4624  0.000000       7.462387  
1 1 1 -3  38  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  39  1  o 165.565 3.2714  14847.72   586.648  15626.54   831.014  14074.01   828.284  169.836 4.5176  161.176 4.7447  8.660507       6.551405  
1 1 1 -3  39  2  o 406.968 6.8733  89771.93   3029.67  90611.75   4285.41  88932.73   4283.79  408.691 9.6811  404.881 9.7686  3.810577       13.75316  
1 1 1 -3  39  3  o 519.469 8.6053  146344.70  4841.68  147897.20  6847.74  144792.80  6846.59  521.854 12.115  516.332 12.243  5.521362       17.22378  
1 1 1 -3  39  4  o 607.281 9.9000  200117.41  6511.74  200611.59  9209.26  199623.20  9208.73  607.428 13.998  605.924 14.032  1.504028       19.81991  
1 1 1 -3  39  5  o 291.973 5.0946  46192.67   1611.11  45339.63   2278.78  47045.22   2278.14  289.178 7.2756  294.574 7.1403  -5.395294      10.19400  
1 1 1 -3  39  6  o 144.132 3.6611  11253.88   571.542  11559.35   984.965  11098.81   701.771  146.030 6.2274  143.123 4.5271  2.906784       7.699032  
1 1 1 -3  39  7  o 121.727 3.3231  8026.78    438.125  7682.02    753.388  8202.95    538.556  119.047 5.8429  123.047 4.0410  -3.999725      7.104207  
1 1 1 -3  39  8  o 686.865 22.963  259574.70  17083.07 0.0000     0.0000   259574.70  17083.07 ?       ?       686.865 22.963  0.000000       22.96276  
1 1 1 -3  39  9  o 265.904 6.7693  38351.22   1949.57  38351.22   1949.57  0.0000     0.0000   265.904 6.7693  ?       ?       0.000000       6.769313  
1 1 1 -3  39  10 o 561.344 9.3467  171244.41  5682.75  171762.91  8036.72  170725.91  8036.52  561.215 13.221  559.506 13.262  1.708374       18.72631  
1 1 1 -3  39  11 o 191.978 3.7746  19972.28   784.853  20401.28   1112.06  19546.52   1107.85  193.967 5.2933  189.856 5.3875  4.111206       7.552776  
1 1 1 -3  39  12 o 112.160 2.8847  6815.57    350.440  6877.94    498.091  6754.42    493.141  112.648 4.0824  111.632 4.0786  1.015999       5.770690  
1 1 1 -3  39  13 o 160.866 3.3705  14023.44   587.260  14259.42   832.721  13789.95   828.320  162.162 4.7411  159.468 4.7957  2.694168       6.743665  
1 1 1 -3  39  14 o 400.345 7.5126  87111.08   3257.57  86841.78   4270.57  87485.80   5037.69  399.203 9.8769  400.204 11.622  -1.000763      15.25201  
1 1 1 -3  39  15 o 260.889 4.7257  36917.80   1335.33  36848.10   1889.47  36987.35   1887.44  260.436 6.6983  260.931 6.6785  -0.4940796     9.458842  
1 1 1 -3  39  16 o 277.488 5.2729  41788.76   1584.77  40986.10   4249.48  41918.42   1707.98  272.555 14.447  277.871 5.6751  -5.316650      15.52129  
1 1 1 -3  39  17 f 271.638 5.2497  40053.91   1544.51  43770.64   2886.73  38563.20   1828.20  283.225 9.4103  266.392 6.3362  16.83258       11.34471  
1 1 1 -3  39  18 o 192.719 3.7846  20142.16   789.981  22221.65   1582.40  19451.83   911.724  202.042 7.2311  189.336 4.4459  12.70613       8.488479  
1 1 1 -3  39  19 o 97.302  2.9692  5132.45    312.919  5512.26    632.310  5009.26    360.108  100.525 5.8325  96.110  3.4594  4.415253       6.781254  
1 1 1 -3  39  20 o 114.249 3.0736  7078.45    380.345  7436.27    759.093  6958.50    439.493  116.724 6.0249  113.250 3.5830  3.473785       7.009789  
1 1 1 -3  39  21 o 34.296  2.2778  640.400    84.131   1259.26    372.322  607.101    86.365   47.408  7.5006  33.377  2.4051  14.03028       7.876808  
1 1 1 -3  39  22 o 34.580  6.9462  678.378    251.127  441.156    352.222  923.646    358.146  28.905  9.6173  40.198  8.4921  -11.29228      12.82997  
1 1 1 -3  39  23 o 73.514  4.3782  2956.58    347.030  3678.37    491.535  2239.24    490.017  81.787  5.5822  63.327  7.2763  18.45966       9.170920  
1 1 1 -3  39  24 o 63.564  3.5216  2206.90    241.505  2137.05    512.931  2226.79    273.746  61.511  7.8802  63.776  3.9829  -2.265236      8.829597  
1 1 1 -3  39  25 o 95.984  2.8353  5011.16    294.764  5833.63    503.251  4581.64    363.676  103.220 4.5014  91.645  3.6638  11.57551       5.804000  
1 1 1 -3  39  26 o 46.765  1.6908  1186.64    85.640   1265.80    91.226   598.977    248.558  48.297  1.7439  32.085  7.3150  16.21235       7.519975  
1 1 1 -3  39  27 o 43.237  1.6128  1014.54    75.529   1062.02    78.959   503.411    259.060  44.235  1.6480  29.248  7.9634  14.98678       8.132114  
1 1 1 -3  39  28 o 67.124  2.7600  2458.66    200.658  2359.15    258.798  2608.63    317.728  65.465  3.6646  68.646  4.2949  -3.181282      5.645886  
1 1 1 -3  39  29 o 109.799 3.2336  6611.25    384.546  6632.63    677.776  6601.10    466.984  108.355 5.7962  109.383 3.9417  -1.027931      7.009470  
1 1 1 -3  39  30 o 61.891  4.0462  2133.38    269.741  2745.23    552.791  1942.17    309.030  67.986  7.6393  58.657  4.9093  9.328934       9.080769  
1 1 1 -3  39  31 o 48.098  4.9113  1328.38    252.266  1017.33    518.642  1424.78    288.720  37.418  11.597  49.495  5.4776  -12.07688      12.82596  
1 1 1 -3  39  32 o 32.221  9.9296  742.497    380.812  0.0000     0.0000   742.497    380.812  ?       ?       32.221  9.9296  0.000000       9.929569  
1 1 1 -3  39  33 o 33.824  9.5895  834.595    367.446  0.0000     0.0000   834.595    367.446  ?       ?       33.824  9.5895  0.000000       9.589489  
1 1 1 -3  39  34 f 18.016  8.1801  -3.6612    347.001  0.0000     0.0000   -3.6612    347.001  ?       ?       18.016  8.1801  0.000000       8.180136  
1 1 1 -3  39  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  40  1  o 591.184 9.6902  189618.91  6204.78  192980.80  8775.57  186258.00  8774.20  595.873 13.597  585.364 13.839  10.50897       19.40127  
1 1 1 -3  40  2  o 466.030 7.8458  117761.10  3960.25  118208.30  5601.33  117314.10  5599.95  466.629 11.083  464.857 11.122  1.772278       15.70139  
1 1 1 -3  40  3  o 656.944 10.804  234288.30  7687.13  233215.91  10871.63 235360.50  10870.85 654.635 15.333  657.653 15.261  -3.017883      21.63356  
1 1 1 -3  40  4  o 352.263 6.0950  67256.05   2325.46  66854.36   3289.10  67657.56   3288.30  351.063 8.6501  353.169 8.5964  -2.106140      12.19521  
1 1 1 -3  40  5  o 337.081 6.7307  61600.09   2457.32  62376.36   4256.07  61211.92   3009.64  338.837 11.597  335.924 8.2718  2.912109       14.24485  
1 1 1 -3  40  6  o 156.678 3.7951  13298.94   644.026  12997.92   1110.81  13451.37   790.437  154.834 6.6237  157.558 4.6319  -2.723801      8.082561  
1 1 1 -3  40  7  o 267.204 6.7932  38717.34   1966.02  38614.69   2785.50  38819.25   2775.26  266.669 9.6441  267.379 9.5831  -0.7098999     13.59574  
1 1 1 -3  40  8  o 605.808 14.217  200058.00  9328.51  204638.30  13194.13 195480.00  13190.89 610.776 19.945  596.773 20.408  14.00275       28.53538  
1 1 1 -3  40  9  o 316.649 6.3642  54381.39   2182.70  53373.93   2672.27  56400.78   3783.35  313.578 7.8680  322.013 10.848  -8.435822      13.40057  
1 1 1 -3  40  10 o 34.921  3.9755  669.417    147.685  604.161    212.402  730.492    205.486  32.837  6.1994  36.312  5.3882  -3.474857      8.213722  
1 1 1 -3  40  11 o 301.826 5.3218  49401.64   1739.76  50244.27   2461.36  48560.34   2459.42  304.189 7.4707  299.034 7.5935  5.154114       10.65234  
1 1 1 -3  40  12 o 276.112 4.9442  41340.06   1478.59  42498.05   2091.51  40183.09   2090.59  279.780 6.9020  272.034 7.0954  7.746277       9.898550  
1 1 1 -3  40  13 o 223.616 4.1828  27108.11   1013.07  28079.11   1434.25  26141.30   1431.15  227.474 5.8213  219.469 6.0207  8.005020       8.374734  
1 1 1 -3  40  14 o 174.050 3.5165  16418.85   662.914  17057.64   939.958  15786.69   935.065  177.336 4.8938  170.592 5.0607  6.743774       7.039871  
1 1 1 -3  40  15 o 444.196 7.5196  107287.70  3617.76  109708.50  5116.90  104868.10  5115.67  448.306 10.538  438.225 10.778  10.08105       15.07365  
1 1 1 -3  40  16 o 315.691 6.3814  54144.22   2181.96  59510.25   3779.43  51461.57   2672.28  330.047 10.573  307.486 8.0239  22.56107       13.27264  
1 1 1 -3  40  17 o 261.798 5.0417  37200.05   1429.58  40035.04   2675.06  36066.70   1691.37  270.904 9.1169  257.651 6.0609  13.25330       10.94771  
1 1 1 -3  40  18 o 199.486 3.8768  21583.81   837.626  23830.78   1677.43  20837.40   966.789  209.189 7.4035  195.949 4.5553  13.24001       8.692662  
1 1 1 -3  40  19 o 40.695  4.3125  908.905    187.185  718.717    371.616  973.565    216.680  35.614  9.4702  42.064  4.8445  -6.450382      10.63733  
1 1 1 -3  40  20 o 107.464 3.0738  6263.08    357.770  6732.72    707.157  6101.52    414.769  111.052 5.9004  106.040 3.6113  5.012505       6.917808  
1 1 1 -3  40  21 o 119.396 4.3444  7749.64    561.813  7548.28    790.427  7955.22    798.686  117.435 6.2367  120.588 6.1353  -3.152725      8.748600  
1 1 1 -3  40  22 o 90.840  4.2355  4490.81    416.724  4351.29    587.678  4631.91    591.011  88.974  6.1357  91.846  5.9736  -2.871506      8.563344  
1 1 1 -3  40  23 o 109.130 3.0148  6471.18    356.345  7136.00    675.029  6214.34    419.571  114.164 5.4591  106.863 3.6250  7.301437       6.553073  
1 1 1 -3  40  24 o 62.580  2.5063  2127.05    169.878  2563.54    509.555  2072.47    180.186  67.685  7.0544  61.758  2.6937  5.926632       7.551182  
1 1 1 -3  40  25 o 75.686  2.7024  3114.99    221.532  3288.35    565.691  3083.58    240.762  76.622  6.8901  75.274  2.9531  1.347870       7.496277  
1 1 1 -3  40  26 o 93.492  2.9586  4761.92    299.597  4934.13    664.209  4717.94    335.685  93.865  6.5748  92.985  3.3331  0.8803024      7.371377  
1 1 1 -3  40  27 o 79.099  2.5429  3406.65    217.852  3692.03    351.654  3228.91    277.520  82.031  3.9579  76.859  3.3337  5.172173       5.174857  
1 1 1 -3  40  28 o 31.837  1.3521  549.953    46.626   803.511    67.077   312.903    64.856   38.468  1.6099  23.824  2.5532  14.64383       3.018379  
1 1 1 -3  40  29 o 24.337  7.2134  348.284    203.721  305.895    329.069  374.627    259.410  24.612  9.1887  25.392  8.2442  -0.7791939     12.34504  
1 1 1 -3  40  30 o 31.404  7.2050  596.554    239.863  293.050    474.167  700.927    278.065  26.125  10.643  33.860  7.7497  -7.734915      13.16575  
1 1 1 -3  40  31 o 56.137  4.3539  1788.46    262.657  1644.27    539.641  1833.22    300.676  48.850  10.511  56.457  4.9677  -7.606453      11.62572  
1 1 1 -3  40  32 o 26.365  2.1760  383.848    61.582   0.0000     0.0000   383.848    61.582   ?       ?       26.365  2.1760  0.000000       2.175953  
1 1 1 -3  40  33 o 15.492  7.4289  -327.7184  358.731  0.0000     0.0000   -327.7184  358.731  ?       ?       15.492  7.4289  0.000000       7.428946  
1 1 1 -3  40  34 o 8.4775  2.8391  38.090     30.689   0.0000     0.0000   38.090     30.689   ?       ?       8.4775  2.8391  0.000000       2.839142  
1 1 1 -3  41  1  o 618.790 11.712  207965.80  7849.41  206751.80  13594.92 208572.91  9613.75  615.164 20.404  619.245 14.334  -4.080994      24.93554  
1 1 1 -3  41  2  o 359.319 7.0734  69995.90   2752.82  69025.30   4767.09  70481.49   3371.84  356.421 12.349  360.466 8.6364  -4.045013      15.06904  
1 1 1 -3  41  3  o 272.176 5.6007  40146.76   1651.06  38053.50   2856.69  41196.73   2023.19  264.782 9.9610  275.667 6.7761  -10.88525      12.04733  
1 1 1 -3  41  4  o 143.240 3.6403  11114.97   564.772  10901.43   979.531  11221.31   691.238  141.810 6.3773  143.913 4.4346  -2.102051      7.767663  
1 1 1 -3  41  5  o 155.832 3.7361  13155.62   630.585  13575.59   1089.45  12944.04   773.286  158.246 6.3563  154.559 4.6193  3.686630       7.857495  
1 1 1 -3  41  6  o 351.049 6.9731  66829.73   2651.35  65406.79   4590.50  67542.03   3247.85  346.800 12.221  352.797 8.4996  -5.997101      14.88619  
1 1 1 -3  41  7  o 329.870 6.5164  59006.26   2328.19  61436.39   2853.30  54165.03   4027.27  336.496 7.8288  315.576 11.782  20.91937       14.14628  
1 1 1 -3  41  8  o 456.622 10.897  113385.80  5389.25  113051.00  7623.26  113720.40  7619.83  454.990 15.469  456.348 15.416  -1.358002      21.83937  
1 1 1 -3  41  9  o 270.310 5.5665  39618.49   1629.71  39680.73   1994.93  39493.61   2825.73  270.439 6.8106  269.547 9.6789  0.8914490      11.83493  
1 1 1 -3  41  10 o 255.010 4.6390  35251.32   1281.30  36482.54   1812.34  34020.95   1811.72  259.308 6.4529  250.390 6.6804  8.917725       9.288042  
1 1 1 -3  41  11 o 313.731 5.4971  53383.40   1867.93  53323.36   2642.45  53443.37   2640.85  313.318 7.7867  313.672 7.7732  -0.3540039     11.00248  
1 1 1 -3  41  12 o 64.643  2.8328  2263.98    198.341  2542.22    283.533  1997.36    277.555  68.379  3.8439  60.551  4.2592  7.828156       5.737312  
1 1 1 -3  41  13 o 271.300 4.8743  39918.57   1432.29  40111.53   2026.14  39725.84   2024.97  271.758 6.8836  270.445 6.9130  1.313049       9.755738  
1 1 1 -3  41  14 o 189.308 3.7235  19425.95   763.474  20088.63   1081.97  18768.78   1077.47  192.425 5.1914  185.986 5.3488  6.439072       7.453878  
1 1 1 -3  41  15 o 52.051  3.3119  1474.37    185.742  1347.67    270.765  1586.98    255.277  49.575  5.1162  53.916  4.4101  -4.340313      6.754553  
1 1 1 -3  41  16 o 273.447 5.6720  40597.79   1679.89  40014.80   2908.68  40889.58   2057.79  270.763 9.9183  274.255 6.9275  -3.492371      12.09804  
1 1 1 -3  41  17 f 236.916 4.3948  30450.53   1127.72  33675.75   2254.79  29374.63   1302.31  248.572 8.3750  232.615 5.1690  15.95761       9.841687  
1 1 1 -3  41  18 o 236.626 4.6660  30391.36   1195.84  31560.12   2245.81  29928.84   1412.79  240.476 8.6225  234.707 5.5575  5.768646       10.25830  
1 1 1 -3  41  19 o 160.988 3.4557  14056.73   602.553  13765.39   1198.93  14155.18   696.968  158.943 6.9644  161.511 3.9842  -2.567139      8.023482  
1 1 1 -3  41  20 o 293.852 5.5242  46992.56   1758.20  45953.41   3275.27  47413.23   2083.92  288.757 10.472  294.879 6.5248  -6.122406      12.33868  
1 1 1 -3  41  21 o 113.684 4.3266  7027.58    532.741  7636.90    751.419  6411.75    755.416  118.310 5.8639  108.129 6.4801  10.18135       8.739429  
1 1 1 -3  41  22 o 57.692  4.7971  1826.85    297.031  1599.96    418.097  2058.07    422.063  53.440  7.4239  60.940  6.4945  -7.499725      9.863737  
1 1 1 -3  41  23 o 24.428  1.0605  323.291    28.058   198.148    407.102  323.888    28.125   25.066  9.9841  24.450  1.0620  0.6159363      10.04043  
1 1 1 -3  41  24 o 112.363 3.1404  6869.50    382.194  8074.13    780.548  6489.60    438.336  121.086 5.9516  109.112 3.7091  11.97473       7.012768  
1 1 1 -3  41  25 o 55.041  3.7633  1661.72    223.004  1509.05    489.159  1701.77    250.556  50.859  9.2194  55.619  4.1900  -4.760136      10.12689  
1 1 1 -3  41  26 o 50.081  4.2921  1385.56    230.571  1465.31    481.046  1361.78    262.716  49.869  9.2466  49.482  4.9690  0.3863525      10.49717  
1 1 1 -3  41  27 o 23.728  7.5012  318.082    215.836  729.720    437.264  185.480    248.177  34.741  10.629  20.834  7.9351  13.90667       13.26448  
1 1 1 -3  41  28 o 34.428  6.3546  687.674    228.227  1126.13    461.552  545.774    262.574  42.606  10.147  30.213  7.9254  12.39308       12.87542  
1 1 1 -3  41  29 o 55.573  4.3160  1720.60    257.750  1967.79    522.481  1641.10    296.315  57.187  8.7104  53.956  5.1322  3.231087       10.10995  
1 1 1 -3  41  30 o 18.940  7.4234  148.245    221.739  -113.3092  455.870  229.306    253.784  20.774  9.4102  21.443  8.0568  -0.6682739     12.38806  
1 1 1 -3  41  31 o 29.203  1.2525  463.536    39.616   -529.7865  477.508  470.420    39.753   17.329  8.3757  29.419  1.2476  -12.08998      8.468059  
1 1 1 -3  41  32 o 50.362  7.2508  1592.62    384.111  0.0000     0.0000   1592.62    384.111  ?       ?       50.362  7.2508  0.000000       7.250843  
1 1 1 -3  41  33 o 25.912  9.8306  476.866    379.965  0.0000     0.0000   476.866    379.965  ?       ?       25.912  9.8306  0.000000       9.830589  
1 1 1 -3  41  34 o 24.964  11.416  375.864    691.395  0.0000     0.0000   375.864    691.395  ?       ?       24.964  11.416  0.000000       11.41638  
1 1 1 -3  42  1  o 462.331 8.8863  115969.20  4449.86  117008.80  7706.70  115449.30  5450.18  463.556 15.350  461.078 10.914  2.477509       18.83389  
1 1 1 -3  42  2  o 303.963 6.2226  50081.94   2048.61  51748.68   3546.95  49247.63   2509.50  308.708 10.608  301.347 7.6887  7.361053       13.10141  
1 1 1 -3  42  3  o 334.916 6.5000  60808.48   2357.88  61597.93   4083.18  60413.53   2888.08  336.737 11.195  333.737 7.9898  3.000183       13.75399  
1 1 1 -3  42  4  o 351.177 6.8086  66867.71   2589.71  61074.39   4484.43  69766.48   3172.12  335.157 12.353  358.613 8.1668  -23.45651      14.80896  
1 1 1 -3  42  5  o 50.262  3.6838  1375.95    199.144  1126.62    288.742  1602.15    275.023  45.187  6.0517  54.168  4.7352  -8.981220      7.684097  
1 1 1 -3  42  6  o 87.094  3.6882  4109.55    347.918  3981.24    493.698  4236.15    490.381  85.537  5.3559  88.258  5.1523  -2.721046      7.431838  
1 1 1 -3  42  7  o 163.992 4.7202  14575.15   838.403  15513.53   1193.40  13660.67   1178.11  169.132 6.5146  158.699 6.8540  10.43327       9.456078  
1 1 1 -3  42  8  o 604.447 14.201  199363.50  9297.41  193610.91  13147.05 205118.70  13150.00 593.261 20.460  610.906 19.874  -17.64471      28.52357  
1 1 1 -3  42  9  o 361.623 6.1541  70933.27   2410.42  70400.16   3408.63  71466.51   3409.08  359.968 8.7427  362.692 8.6782  -2.724579      12.31851  
1 1 1 -3  42  10 o 132.651 3.0981  9533.65    445.115  9463.74    629.873  9603.39    629.102  132.134 4.4012  133.106 4.3637  -0.9724121     6.197754  
1 1 1 -3  42  11 o 364.428 6.2525  72067.41   2467.95  75036.37   3490.93  69100.93   3489.48  371.513 8.6755  356.458 9.0382  15.05499       12.52813  
1 1 1 -3  42  12 o 42.974  3.4578  1007.28    159.583  1031.94    222.200  981.011    229.339  43.358  4.8128  42.221  5.1197  1.136127       7.026738  
1 1 1 -3  42  13 o 184.792 3.8443  18510.33   769.429  19157.99   1034.26  17707.61   1151.42  187.932 5.0811  180.628 5.8854  7.304031       7.775339  
1 1 1 -3  42  14 o 142.092 3.1608  10941.46   486.444  11567.14   691.007  10326.79   684.905  146.052 4.3682  137.990 4.5826  8.061768       6.331007  
1 1 1 -3  42  15 o 206.916 3.9774  23213.70   891.384  23608.38   1265.29  22824.81   1255.98  208.546 5.6017  205.051 5.6552  3.494705       7.959899  
1 1 1 -3  42  16 o 318.620 5.6045  55120.20   1934.12  55687.25   2735.58  54553.41   2734.92  319.847 7.8966  316.557 7.9767  3.289490       11.22422  
1 1 1 -3  42  17 o 430.860 7.3154  101042.90  3413.85  103881.50  6827.27  100096.50  3942.06  433.661 14.535  428.461 8.4946  5.199463       16.83554  
1 1 1 -3  42  18 o 136.664 3.2287  10126.00   477.921  9770.53    939.944  10249.95   555.021  134.016 6.4755  137.472 3.7276  -3.456116      7.471753  
1 1 1 -3  42  19 o 153.411 3.3779  12764.71   561.268  12961.88   1115.95  12697.95   649.379  154.251 6.6795  152.969 3.9194  1.282455       7.744548  
1 1 1 -3  42  20 f 120.662 4.3932  7910.80    574.147  8671.18    809.883  7142.54    814.066  126.158 5.9270  114.229 6.6080  11.92840       8.876691  
1 1 1 -3  42  21 f 136.245 4.5367  10100.58   669.463  9625.17    944.133  10581.33   949.416  132.655 6.5711  139.144 6.2997  -6.488663      9.103091  
1 1 1 -3  42  22 o 23.001  1.2273  287.446    30.464   224.090    43.245   349.858    42.922   20.231  1.9997  25.359  1.5704  -5.127853      2.542685  
1 1 1 -3  42  23 o 32.475  5.4089  592.827    183.564  673.792    426.277  574.395    203.387  34.361  10.492  31.812  6.1252  2.549597       12.14869  
1 1 1 -3  42  24 o 8.6851  3.0749  35.492     36.173   26.137     36.703   352.608    213.698  8.1317  3.0623  24.974  7.3845  -16.84237      7.994266  
1 1 1 -3  42  25 o 60.599  3.5992  2011.29    235.170  2281.38    503.200  1935.81    266.008  63.446  7.4654  59.333  4.1657  4.112583       8.548992  
1 1 1 -3  42  26 o 76.166  3.4728  3169.06    286.491  2646.90    575.144  3341.37    330.398  67.973  7.9630  78.120  3.9049  -10.14696      8.868937  
1 1 1 -3  42  27 o 86.449  3.3941  4088.88    317.796  4375.24    638.575  3994.61    366.391  87.879  6.7608  85.288  3.9663  2.591385       7.838418  
1 1 1 -3  42  28 o 132.605 3.4020  9642.36    488.618  9504.05    966.921  9689.80    566.235  128.981 6.9470  132.650 3.9411  -3.668640      7.987090  
1 1 1 -3  42  29 o 76.257  3.6840  3203.46    304.283  2561.50    598.966  3426.76    353.263  65.319  8.6813  78.583  4.1653  -13.26414      9.628860  
1 1 1 -3  42  30 o 34.214  6.5403  698.196    233.533  1317.95    480.108  506.116    267.284  44.924  10.111  28.522  8.2092  16.40240       13.02407  
1 1 1 -3  42  31 f 27.387  7.6780  480.888    236.930  -139.0277  479.225  681.438    272.574  20.210  9.3370  32.557  7.8264  -12.34728      12.18331  
1 1 1 -3  42  32 o 39.736  8.7567  1065.71    366.716  0.0000     0.0000   1065.71    366.716  ?       ?       39.736  8.7567  0.000000       8.756736  
1 1 1 -3  42  33 o 21.678  8.9918  244.682    346.461  0.0000     0.0000   244.682    346.461  ?       ?       21.678  8.9918  0.000000       8.991832  
1 1 1 -3  42  34 o 30.582  12.753  976.960    702.253  0.0000     0.0000   976.960    702.253  ?       ?       30.582  12.753  0.000000       12.75317  
1 1 1 -3  43  1  o 382.480 9.1987  79393.52   3810.72  81453.07   5390.92  77336.65   5387.42  387.016 12.861  377.069 13.191  9.946960       18.42305  
1 1 1 -3  43  2  o 223.193 4.7218  26993.03   1141.46  25688.11   1974.36  27648.18   1398.95  217.598 8.3773  225.855 5.7188  -8.257843      10.14314  
1 1 1 -3  43  3  f 232.281 6.0649  29247.95   1525.85  28923.10   2158.28  29572.56   2157.47  230.872 8.6311  233.455 8.5324  -2.582977      12.13665  
1 1 1 -3  43  4  o 337.885 8.2655  61945.78   3024.89  62209.75   4279.18  61682.14   4276.50  338.281 11.679  336.839 11.722  1.442261       16.54705  
1 1 1 -3  43  5  o 350.122 6.9981  66483.88   2653.79  65545.19   3251.16  68357.97   4593.82  347.508 8.6378  354.522 11.964  -7.014282      14.75599  
1 1 1 -3  43  6  o 359.382 7.1141  70060.40   2769.15  70633.81   3392.57  68915.74   4793.28  360.703 8.6838  355.829 12.437  4.874756       15.16876  
1 1 1 -3  43  7  o 244.010 6.3017  32290.94   1665.48  33662.91   2356.69  30922.12   2353.99  248.975 8.7393  238.596 9.1090  10.37923       12.62338  
1 1 1 -3  43  8  o 137.812 3.6144  10290.61   539.508  10474.39   658.394  9915.00    941.253  139.020 4.3726  135.196 6.4279  3.823654       7.774189  
1 1 1 -3  43  9  o 220.059 4.1394  26245.31   986.620  25859.36   1395.02  26631.58   1395.57  218.348 5.8987  221.590 5.8148  -3.241089      8.282896  
1 1 1 -3  43  10 o 172.792 3.5218  16178.99   659.108  16543.42   932.095  15814.52   932.143  174.677 4.9267  170.781 5.0393  3.896133       7.047498  
1 1 1 -3  43  11 f 144.117 3.2066  11254.16   500.534  11301.98   708.504  11206.52   707.223  144.384 4.5306  143.772 4.5416  0.6114807      6.415028  
1 1 1 -3  43  12 o 362.473 6.2390  71318.04   2449.41  72694.32   3464.27  69942.20   3463.71  365.545 8.7498  358.527 8.9197  7.018341       12.49483  
1 1 1 -3  43  13 o 299.563 5.7264  48701.75   1857.99  49575.90   2447.77  47513.41   2853.94  302.012 7.4830  295.437 8.9189  6.574768       11.64222  
1 1 1 -3  43  14 o 41.997  3.5844  962.979    161.481  1108.50    235.430  833.699    221.906  44.938  4.9173  38.822  5.4257  6.115597       7.322412  
1 1 1 -3  43  15 o 88.323  2.9208  4227.40    279.409  4363.18    408.279  4107.78    383.199  89.699  4.2024  87.038  4.0649  2.661118       5.846661  
1 1 1 -3  43  16 o 243.179 4.4603  32079.58   1174.79  33111.47   1665.85  31058.62   1657.00  246.861 6.2304  239.064 6.3994  7.796555       8.931380  
1 1 1 -3  43  17 o 69.211  3.0763  2596.52    230.606  2585.40    466.688  2600.11    265.251  68.669  6.3465  69.157  3.5532  -0.4875336     7.273453  
1 1 1 -3  43  18 o 62.919  3.3419  2152.66    226.926  2452.47    440.809  2044.56    264.694  66.871  6.1553  61.257  4.0116  5.613579       7.347164  
1 1 1 -3  43  19 o 108.115 3.9458  6344.00    462.052  6484.28    653.411  6203.70    653.470  109.048 5.5506  106.639 5.6782  2.408783       7.940413  
1 1 1 -3  43  20 o 91.263  3.7379  4522.11    369.483  4807.50    469.245  4056.49    599.377  94.036  4.6072  85.978  6.4841  8.058464       7.954239  
1 1 1 -3  43  21 o 153.286 3.4645  12762.13   575.194  12430.39   1105.54  12885.26   673.533  150.657 6.7751  153.942 4.0395  -3.285736      7.887980  
1 1 1 -3  43  22 o 92.811  2.9862  4678.58    300.182  4480.28    592.734  4746.98    348.128  90.207  6.1026  93.443  3.4397  -3.236115      7.005226  
1 1 1 -3  43  23 o 88.568  3.1294  4265.59    300.195  3708.21    619.492  4436.64    343.180  81.606  7.0789  90.279  3.5097  -8.672203      7.901163  
1 1 1 -3  43  24 o 17.838  6.7752  127.193    180.615  299.570    394.379  81.443     203.175  26.397  10.015  17.430  7.0149  8.967104       12.22746  
1 1 1 -3  43  25 o 41.329  1.5886  926.459    71.109   913.332    103.889  938.030    97.537   40.929  2.3534  41.500  2.1775  -0.5713425     3.206296  
1 1 1 -3  43  26 o 80.172  2.9258  3503.10    254.057  3282.78    593.817  3552.47    281.081  76.051  7.2987  80.681  3.2165  -4.629868      7.975992  
1 1 1 -3  43  27 f 107.319 3.3281  6301.14    386.845  5910.13    760.529  6437.61    449.312  102.026 6.9233  108.297 3.8306  -6.270599      7.912321  
1 1 1 -3  43  28 o 26.098  6.9532  402.373    200.086  456.824    452.148  389.113    223.122  29.116  10.790  25.699  7.5305  3.417013       13.15836  
1 1 1 -3  43  29 o 41.643  2.3364  948.807    104.954  860.875    486.856  953.093    107.482  36.438  11.227  41.728  2.3880  -5.289848      11.47816  
1 1 1 -3  43  30 o 50.158  2.3773  1376.45    129.149  1440.62    509.180  1372.04    133.515  46.602  10.357  50.059  2.4625  -3.457146      10.64534  
1 1 1 -3  43  31 o 14.186  6.5934  -154.4616  244.356  0.0000     0.0000   -154.4616  244.356  ?       ?       14.186  6.5934  0.000000       6.593400  
1 1 1 -3  43  32 o 52.955  7.4283  1780.01    414.338  0.0000     0.0000   1780.01    414.338  ?       ?       52.955  7.4283  0.000000       7.428349  
1 1 1 -3  43  33 o 20.023  8.6496  140.850    343.090  0.0000     0.0000   140.850    343.090  ?       ?       20.023  8.6496  0.000000       8.649595  
1 1 1 -3  43  34 o 28.471  11.643  725.661    570.110  0.0000     0.0000   725.661    570.110  ?       ?       28.471  11.643  0.000000       11.64290  
1 1 1 -3  44  1  o 167.208 3.9915  15147.54   722.872  14738.54   886.961  15956.63   1247.49  164.915 4.9656  171.547 6.7140  -6.631821      8.350769  
1 1 1 -3  44  2  o 338.267 6.7492  62045.45   2472.76  62450.75   3030.00  61237.23   4278.73  339.264 8.2458  335.623 11.770  3.641235       14.37140  
1 1 1 -3  44  3  o 395.694 7.7829  84940.73   3335.58  84323.15   4086.46  86173.70   5773.94  394.076 9.5741  397.875 13.398  -3.798462      16.46762  
1 1 1 -3  44  4  o 341.437 6.8155  63222.80   2520.44  63456.48   3087.92  62756.37   4362.62  341.948 8.3375  339.691 11.858  2.257019       14.49531  
1 1 1 -3  44  5  o 371.150 7.3739  74732.17   2964.28  74120.80   3631.79  75952.27   5130.60  369.461 9.0757  373.521 12.682  -4.060883      15.59482  
1 1 1 -3  44  6  o 322.882 6.4496  56541.73   2255.51  57707.23   2764.03  54218.86   3902.11  326.080 7.8262  315.685 11.412  10.39438       13.83800  
1 1 1 -3  44  7  o 124.730 3.4364  8429.06    464.238  9366.58    804.201  7960.51    568.532  131.432 5.6493  121.197 4.3311  10.23489       7.118460  
1 1 1 -3  44  8  o 341.459 7.4782  63293.97   2765.71  63865.14   3063.15  60774.00   6434.04  342.907 8.2475  332.235 17.947  10.67258       19.75098  
1 1 1 -3  44  9  o 40.471  3.4236  893.846    148.663  992.442    206.876  788.563    213.776  42.545  4.5605  37.756  5.3798  4.789299       7.052719  
1 1 1 -3  44  10 o 126.304 3.0013  8643.13    410.581  8814.59    578.412  8468.98    582.914  127.523 4.1877  124.995 4.3057  2.528175       6.006342  
1 1 1 -3  44  11 f 102.312 2.8109  5671.37    311.488  5698.46    437.826  5643.61    443.244  102.534 3.9424  102.038 4.0106  0.4962158      5.623853  
1 1 1 -3  44  12 o 143.284 3.1746  11125.04   492.671  11477.10   697.949  10775.40   695.542  145.491 4.4291  140.968 4.5555  4.522583       6.353687  
1 1 1 -3  44  13 o 191.594 3.7637  19898.13   781.024  21039.21   1108.10  18771.61   1101.01  196.927 5.1952  185.994 5.4654  10.93263       7.540591  
1 1 1 -3  44  14 o 435.718 7.3924  103219.20  3488.68  103984.20  4934.16  102454.40  4933.31  436.480 10.437  433.232 10.513  3.247223       14.81438  
1 1 1 -3  44  15 o 346.773 6.5264  65339.01   2451.25  65756.22   3221.08  64764.92   3778.43  347.464 8.5590  344.443 10.128  3.020752       13.26016  
1 1 1 -3  44  16 o 217.544 4.2623  25670.47   1004.31  27942.02   1344.53  22803.39   1510.53  226.848 5.4722  204.781 6.8103  22.06628       8.736478  
1 1 1 -3  44  17 o 219.705 4.1555  26186.18   988.845  24201.02   1972.49  26852.56   1142.82  210.606 8.6472  222.424 4.7438  -11.81802      9.862928  
1 1 1 -3  44  18 o 243.021 6.3653  32139.86   1675.46  32478.09   2367.65  31800.58   2371.26  243.713 8.9695  241.129 9.0795  2.583939       12.76277  
1 1 1 -3  44  19 o 149.859 4.7107  12202.47   764.603  11882.81   1077.93  12526.17   1084.73  147.627 6.7414  151.591 6.6066  -3.964081      9.438971  
1 1 1 -3  44  20 o 214.591 5.8289  25105.76   1354.77  25673.75   1914.00  24535.47   1917.88  216.309 8.1695  211.389 8.3766  4.920319       11.70083  
1 1 1 -3  44  21 o 173.967 3.5874  16445.30   675.951  14470.18   1346.08  17111.30   781.652  162.214 7.6614  177.369 4.0688  -15.15456      8.674839  
1 1 1 -3  44  22 o 11.664  5.3351  -102.6607  151.100  -350.7249  289.952  -10.1803   177.039  14.449  6.8588  14.554  6.2498  -0.1055756     9.279148  
1 1 1 -3  44  23 o 63.872  2.0476  2213.40    141.655  2104.26    223.511  2286.67    183.130  62.095  3.3355  64.884  2.6059  -2.788734      4.232759  
1 1 1 -3  44  24 o 89.671  3.2313  4378.51    313.836  4571.94    625.080  4313.32    362.890  90.695  6.4044  88.913  3.7682  1.782120       7.430773  
1 1 1 -3  44  25 o 92.580  3.1296  4670.83    313.823  4672.39    642.424  4670.34    359.656  91.432  6.5301  92.485  3.5904  -1.052322      7.452068  
1 1 1 -3  44  26 o 63.788  3.7675  2235.24    259.134  2352.59    517.131  2195.89    299.442  64.107  7.5955  63.056  4.4123  1.050758       8.784031  
1 1 1 -3  44  27 o 88.069  3.3427  4244.83    318.851  4609.16    642.692  4125.89    367.231  90.186  6.6259  86.659  3.9125  3.527519       7.694799  
1 1 1 -3  44  28 o 79.174  3.4828  3441.68    298.665  3416.42    598.165  3450.06    344.708  76.864  7.2715  78.987  4.0428  -2.122841      8.319768  
1 1 1 -3  44  29 o 36.551  6.2749  780.512    239.469  56.607     466.955  1038.83    278.942  23.131  10.042  42.282  6.2819  -19.15072      11.84464  
1 1 1 -3  44  30 o 33.001  6.7204  659.276    232.046  531.425    469.855  700.519    266.862  29.168  10.962  33.638  7.5141  -4.470039      13.29018  
1 1 1 -3  44  31 o 19.519  7.8779  164.231    257.019  0.0000     0.0000   164.231    257.019  ?       ?       19.519  7.8779  0.000000       7.877892  
1 1 1 -3  44  32 o 24.737  9.3289  396.065    340.886  0.0000     0.0000   396.065    340.886  ?       ?       24.737  9.3289  0.000000       9.328883  
1 1 1 -3  44  33 o 24.654  9.6602  417.098    375.410  0.0000     0.0000   417.098    375.410  ?       ?       24.654  9.6602  0.000000       9.660236  
1 1 1 -3  44  34 o 20.512  9.6172  -46.7060   538.844  0.0000     0.0000   -46.7060   538.844  ?       ?       20.512  9.6172  0.000000       9.617247  
1 1 1 -3  45  1  o 426.107 8.2905  98527.72   3826.21  99329.75   4687.30  96926.05   6623.86  427.626 10.120  421.752 14.501  5.874451       17.68288  
1 1 1 -3  45  2  o 231.246 4.9791  28980.89   1247.09  28099.02   1527.23  30745.61   2160.42  227.654 6.1938  238.020 8.3802  -10.36586      10.42072  
1 1 1 -3  45  3  o 370.156 7.3119  74325.13   2931.48  73493.15   3591.27  75986.41   5074.76  367.919 9.0121  373.666 12.539  -5.746277      15.44161  
1 1 1 -3  45  4  o 469.671 9.0038  119781.00  4580.25  122412.10  5610.84  114525.50  7929.83  474.504 10.917  457.940 15.988  16.56488       19.35962  
1 1 1 -3  45  5  o 422.745 8.2896  97017.31   3795.62  96116.45   4649.71  98816.63   6571.27  420.515 10.209  425.641 14.254  -5.126068      17.53268  
1 1 1 -3  45  6  o 671.636 10.993  245418.59  7997.02  253969.70  11309.99 236869.00  11308.99 681.764 15.316  658.199 15.863  23.56519       22.05088  
1 1 1 -3  45  7  f 129.925 4.2671  9148.61    600.471  8856.96    844.937  9446.23    853.518  127.786 6.1048  131.973 5.9711  -4.186920      8.539466  
1 1 1 -3  45  8  o 159.022 3.3510  13701.68   577.166  13979.69   818.784  13427.11   813.710  160.587 4.7075  157.379 4.7737  3.208008       6.704346  
1 1 1 -3  45  9  o 193.263 3.7809  20241.33   791.434  19740.05   1119.65  20741.90   1118.86  190.785 5.4184  195.573 5.2820  -4.788422      7.566915  
1 1 1 -3  45  10 o 51.233  3.0238  1427.16    167.050  1523.76    230.056  1319.41    242.960  52.866  4.0485  49.115  4.6216  3.751549       6.144050  
1 1 1 -3  45  11 o 171.402 3.6850  15922.69   684.115  16212.19   920.744  15565.90   1022.15  172.900 4.9167  169.385 5.5715  3.515228       7.430717  
1 1 1 -3  45  12 o 181.590 3.6409  17872.67   716.104  17725.11   1014.22  18019.36   1011.24  180.761 5.1803  182.259 5.1227  -1.497650      7.285406  
1 1 1 -3  45  13 o 182.928 3.6737  18138.35   727.863  18666.63   1032.99  17617.45   1025.75  185.491 5.1417  180.195 5.2557  5.295502       7.352487  
1 1 1 -3  45  14 o 109.763 2.9058  6528.65    345.456  6689.40    497.379  6378.83    480.172  111.071 4.1344  108.464 4.0874  2.607391       5.813789  
1 1 1 -3  45  15 o 162.104 3.4713  14244.52   609.470  14592.81   868.137  13906.04   855.837  163.995 4.8875  160.086 4.9359  3.908539       6.946288  
1 1 1 -3  45  16 o 186.834 3.7844  18928.76   765.805  19656.80   1088.19  18214.42   1077.90  190.274 5.2803  183.147 5.4339  7.127792       7.576831  
1 1 1 -3  45  17 o 279.230 5.8104  42372.92   1757.26  44886.77   3038.20  41109.20   2154.14  286.473 9.7918  274.770 7.2383  11.70325       12.17670  
1 1 1 -3  45  18 o 126.047 4.4780  8625.83    611.345  8816.26    848.725  8420.47    881.343  127.288 6.1562  124.185 6.5759  3.102463       9.007812  
1 1 1 -3  45  19 o 91.385  4.2372  4535.61    419.394  5103.29    589.677  3954.50    596.609  96.664  5.6569  84.916  6.5370  11.74783       8.644812  
1 1 1 -3  45  20 o 92.735  3.0619  4666.55    307.544  4643.52    594.905  4674.95    359.278  92.055  5.9994  92.785  3.5750  -0.7300720     6.983848  
1 1 1 -3  45  21 o 68.280  3.1979  2532.09    236.500  2329.75    450.330  2609.15    277.909  64.892  6.4944  69.177  3.7228  -4.284737      7.485777  
1 1 1 -3  45  22 o ?       ?       -105.1046  21.062   0.0000     0.0000   -105.1046  21.062   ?       ?       ?       ?       0.000000       ?         
1 1 1 -3  45  23 o 51.627  3.9369  1461.79    218.478  1134.17    451.863  1561.75    249.591  44.032  9.7335  53.299  4.3618  -9.266399      10.66611  
1 1 1 -3  45  24 o 54.534  3.8418  1631.42    225.472  1247.10    466.687  1748.44    257.521  46.052  9.6645  56.387  4.2478  -10.33538      10.55684  
1 1 1 -3  45  25 o 63.930  3.4972  2237.63    241.240  2378.37    507.644  2196.57    274.177  64.752  7.3696  63.227  4.0246  1.524662       8.396910  
1 1 1 -3  45  26 o 54.415  2.5853  1612.10    152.370  1539.69    176.438  1824.55    302.205  53.031  3.0851  57.293  4.9177  -4.261940      5.805301  
1 1 1 -3  45  27 o 46.379  4.8577  1203.55    240.397  1112.35    468.996  1236.05    279.974  42.420  10.309  46.751  5.6433  -4.330933      11.75232  
1 1 1 -3  45  28 o 29.114  8.2808  510.159    273.542  323.911    440.511  627.047    348.978  26.671  10.461  31.984  9.4309  -5.312925      14.08419  
1 1 1 -3  45  29 o 27.882  7.2827  469.260    222.334  305.645    445.793  523.433    256.514  26.066  10.426  29.282  7.9040  -3.215857      13.08346  
1 1 1 -3  45  30 o 18.602  7.3650  144.217    220.304  -397.7133  442.672  322.628    253.992  17.654  8.4075  23.379  8.1582  -5.724628      11.71509  
1 1 1 -3  45  31 o 23.257  8.4127  328.745    272.277  0.0000     0.0000   328.745    272.277  ?       ?       23.257  8.4127  0.000000       8.412737  
1 1 1 -3  45  32 o 26.524  9.4532  486.712    342.427  0.0000     0.0000   486.712    342.427  ?       ?       26.524  9.4532  0.000000       9.453198  
1 1 1 -3  45  33 o 20.967  8.9851  191.761    364.599  0.0000     0.0000   191.761    364.599  ?       ?       20.967  8.9851  0.000000       8.985123  
1 1 1 -3  45  34 o 19.220  9.1536  -199.4149  524.846  0.0000     0.0000   -199.4149  524.846  ?       ?       19.220  9.1536  0.000000       9.153550  
1 1 1 -3  46  1  o 51.484  4.2283  1445.97    233.700  1678.88    335.424  1226.26    325.790  55.361  5.6741  47.100  6.5647  8.260674       8.677030  
1 1 1 -3  46  2  o 370.692 7.3388  74547.41   2946.49  73977.34   3609.69  75685.68   5100.69  369.105 9.0292  372.867 12.630  -3.762390      15.52561  
1 1 1 -3  46  3  o 127.142 3.4903  8757.87    480.638  8078.60    592.722  10062.21   821.342  122.095 4.4821  136.238 5.5662  -14.14247      7.146425  
1 1 1 -3  46  4  o 25.441  4.0260  359.348    107.245  237.207    146.283  501.287    157.694  20.756  6.1019  30.005  5.0304  -9.249128      7.908105  
1 1 1 -3  46  5  o 282.391 5.0252  43227.41   1537.01  43043.11   2174.31  43411.49   2173.00  281.652 7.1275  282.857 7.0929  -1.205322      10.05540  
1 1 1 -3  46  6  f 249.077 5.2071  33634.82   1404.74  34888.50   2434.00  33008.70   1720.12  253.409 8.8681  246.675 6.4382  6.733978       10.95868  
1 1 1 -3  46  7  o 77.222  3.1485  3230.78    263.337  3321.20    323.137  3052.00    454.388  78.287  3.8109  74.806  5.6498  3.480598       6.814943  
1 1 1 -3  46  8  o 362.795 6.2303  71409.42   2448.16  72107.31   3462.30  70711.59   3462.14  364.236 8.7763  360.681 8.8624  3.555176       12.47260  
1 1 1 -3  46  9  o 435.530 7.3391  103005.40  3462.01  105466.00  4896.19  100545.00  4895.87  440.128 10.271  429.682 10.520  10.44684       14.70239  
1 1 1 -3  46  10 o 232.921 4.6296  29415.60   1167.94  29763.80   1549.12  28956.99   1777.83  234.192 6.1072  230.911 7.1084  3.280991       9.371661  
1 1 1 -3  46  11 o 414.660 7.0306  93391.99   3157.59  95562.74   4465.27  91220.79   4465.74  418.858 9.8426  409.175 10.077  9.682953       14.08598  
1 1 1 -3  46  12 o 241.741 4.7448  31693.70   1242.32  32895.28   1646.78  30106.68   1892.56  246.156 6.1767  235.363 7.4241  10.79353       9.657551  
1 1 1 -3  46  13 o 307.208 5.4173  51214.50   1802.54  50769.86   2550.33  51658.34   2548.02  305.552 7.7062  308.226 7.6324  -2.674103      10.84621  
1 1 1 -3  46  14 o 88.424  2.8997  4236.93    277.713  4287.02    403.443  4191.83    382.855  88.914  4.1893  87.926  4.0202  0.9881516      5.806213  
1 1 1 -3  46  15 o 111.034 3.0948  6681.93    372.183  6478.17    540.677  6865.43    513.099  109.277 4.5681  112.510 4.2105  -3.233566      6.212624  
1 1 1 -3  46  16 o 173.064 3.7274  16241.57   698.688  16629.35   1045.15  15928.25   939.467  174.980 5.5147  171.290 5.0638  3.689438       7.486915  
1 1 1 -3  46  17 o 97.477  4.1822  5155.58    441.549  4958.07    614.163  5366.90    635.260  95.310  5.9797  99.182  5.9409  -3.871239      8.429208  
1 1 1 -3  46  18 o 281.593 7.1614  43237.16   2184.20  44468.86   3087.89  42003.82   3089.96  284.649 10.016  276.536 10.316  8.113678       14.37861  
1 1 1 -3  46  19 o 96.879  2.9777  5090.48    312.452  5046.96    629.172  5104.73    359.978  96.045  6.0796  96.991  3.4267  -0.9458542     6.978775  
1 1 1 -3  46  20 o 232.483 4.3537  29396.58   1096.28  30711.89   2190.34  28956.96   1266.30  236.174 8.5627  230.561 5.0709  5.612473       9.951550  
1 1 1 -3  46  21 f 128.969 3.1665  9034.87    442.311  8876.76    867.253  9090.46    514.216  127.269 6.2915  129.297 3.6719  -2.027977      7.284580  
1 1 1 -3  46  22 o 100.282 2.9818  5464.82    323.876  5264.08    640.248  5533.85    375.458  97.716  6.0795  100.857 3.4371  -3.140961      6.983854  
1 1 1 -3  46  23 o 89.139  3.1367  4322.69    302.834  3982.60    615.104  4431.49    347.921  84.606  6.7691  90.194  3.5615  -5.588394      7.648855  
1 1 1 -3  46  24 o 130.210 3.2403  9237.18    456.988  9785.25    956.498  9075.06    520.201  132.577 6.6826  128.939 3.7249  3.638412       7.650628  
1 1 1 -3  46  25 o 113.672 3.2171  7046.73    396.087  6124.59    785.401  7361.25    458.688  104.419 6.9848  116.065 3.6488  -11.64606      7.880413  
1 1 1 -3  46  26 o 60.843  3.9156  2038.19    256.662  1915.77    497.952  2082.49    299.514  57.405  8.2456  61.332  4.5411  -3.927032      9.413332  
1 1 1 -3  46  27 o 89.310  3.2936  4366.39    318.601  4564.44    638.192  4300.65    367.698  89.653  6.6191  88.466  3.8375  1.186920       7.651069  
1 1 1 -3  46  28 o 31.521  6.5907  584.020    217.770  559.038    440.796  592.086    250.472  30.790  10.747  31.473  7.4613  -0.6832047     13.08335  
1 1 1 -3  46  29 o 62.585  3.8880  2177.10    262.247  1629.45    528.764  2355.75    302.008  50.599  10.003  64.919  4.3198  -14.31973      10.89572  
1 1 1 -3  46  30 o 17.679  7.2811  98.272     224.940  20.459     440.010  125.803    261.724  21.331  9.4848  19.105  7.8594  2.226252       12.31800  
1 1 1 -3  46  31 o 27.780  9.4614  523.118    340.869  0.0000     0.0000   523.118    340.869  ?       ?       27.780  9.4614  0.000000       9.461406  
1 1 1 -3  46  32 o 27.304  9.5049  527.453    344.665  0.0000     0.0000   527.453    344.665  ?       ?       27.304  9.5049  0.000000       9.504886  
1 1 1 -3  46  33 o 15.761  7.4281  -192.3185  328.754  0.0000     0.0000   -192.3185  328.754  ?       ?       15.761  7.4281  0.000000       7.428109  
1 1 1 -3  47  1  o 446.567 10.670  108427.00  5161.03  108499.90  7299.65  108354.00  7297.95  445.829 15.117  445.528 15.124  0.3013000      21.38328  
1 1 1 -3  47  2  o 93.301  3.6168  4716.49    365.501  4679.62    484.638  4765.12    556.593  92.793  4.8388  93.590  5.5152  -0.7970276     7.337005  
1 1 1 -3  47  3  o 371.293 6.7956  74784.47   2732.84  74238.51   4221.08  75178.47   3585.79  369.494 10.547  372.044 8.8986  -2.550415      13.79973  
1 1 1 -3  47  4  o 493.316 8.2269  132136.59  4395.72  131877.30  6217.03  132395.80  6215.95  492.185 11.662  493.157 11.637  -0.9720764     16.47531  
1 1 1 -3  47  5  o 527.971 8.5352  151409.20  4880.83  159965.20  6903.77  142859.41  6901.30  541.961 11.761  511.992 12.445  29.96866       17.12318  
1 1 1 -3  47  6  o 55.483  3.2172  1673.43    192.502  1121.65    326.470  1967.53    238.344  44.942  6.9296  60.145  3.6764  -15.20335      7.844473  
1 1 1 -3  47  7  o 280.802 5.7782  42767.02   1757.37  42058.79   2151.99  44184.84   3044.84  278.355 7.1379  285.001 9.8639  -6.645477      12.17561  
1 1 1 -3  47  8  o 346.990 6.4213  65336.04   2413.28  67070.88   3170.01  62944.71   3721.79  351.324 8.3307  340.074 10.104  11.25006       13.09575  
1 1 1 -3  47  9  o 136.917 3.1316  10157.41   464.404  10456.40   655.623  9856.33    657.916  138.884 4.3585  134.835 4.5050  4.048615       6.268293  
1 1 1 -3  47  10 o 307.004 5.3963  51127.85   1794.36  50929.53   2537.75  51326.13   2537.45  306.149 7.6533  307.343 7.6226  -1.193848      10.80171  
1 1 1 -3  47  11 o 84.036  2.8245  3826.38    257.088  3770.93    364.114  3881.49    363.043  83.404  4.0307  84.619  3.9611  -1.215271      5.651313  
1 1 1 -3  47  12 o 133.872 3.1349  9711.82    454.545  9628.12    644.420  9794.69    641.240  133.249 4.4651  134.399 4.4051  -1.150116      6.272345  
1 1 1 -3  47  13 o 198.944 4.1079  21459.77   885.166  21804.86   1183.45  21021.57   1333.58  200.445 5.4511  196.746 6.2581  3.699448       8.299309  
1 1 1 -3  47  14 o 234.664 4.3886  29866.20   1115.42  30302.06   1582.06  29435.38   1572.88  236.197 6.1841  232.788 6.2383  3.408325       8.784042  
1 1 1 -3  47  15 f 259.121 4.7126  36431.98   1322.61  36256.54   1872.65  36606.61   1868.26  258.242 6.6951  259.493 6.6473  -1.250916      9.434546  
1 1 1 -3  47  16 o 104.764 4.2028  5954.10    476.896  5939.36    666.204  5969.60    682.975  104.380 5.9171  104.630 6.0525  -0.2504272     8.464349  
1 1 1 -3  47  17 o 215.448 5.8200  25236.94   1358.10  25383.60   1917.33  25089.27   1923.97  215.653 8.2086  214.383 8.2859  1.269745       11.66349  
1 1 1 -3  47  18 o 170.142 3.5136  15704.76   647.498  15089.40   1274.76  15918.73   751.685  166.329 7.0761  171.248 4.0527  -4.919098      8.154441  
1 1 1 -3  47  19 o 186.232 3.7441  18831.21   755.226  19959.35   1508.08  18453.59   872.518  191.040 7.2884  184.269 4.3717  6.770844       8.498974  
1 1 1 -3  47  20 o 245.134 4.5317  32704.73   1203.19  34329.69   2404.59  32162.00   1389.67  249.385 8.9023  242.875 5.2827  6.510086       10.35169  
1 1 1 -3  47  21 o 64.631  3.1768  2269.50    222.386  2119.29    437.166  2321.94    258.304  61.781  6.6372  65.236  3.6706  -3.455162      7.584560  
1 1 1 -3  47  22 o 149.173 3.3559  12105.92   542.213  13288.86   1095.14  11721.78   624.072  155.322 6.5098  146.665 3.9286  8.657257       7.603387  
1 1 1 -3  47  23 o 44.858  2.1713  1092.20    105.496  1268.17    432.750  1081.09    108.778  46.816  8.8588  44.568  2.2609  2.248554       9.142735  
1 1 1 -3  47  24 o 27.056  6.5323  422.276    189.256  258.951    403.033  468.478    214.360  25.732  10.030  28.450  7.0035  -2.717936      12.23283  
1 1 1 -3  47  25 o 93.891  3.2217  4808.66    327.621  4586.32    654.351  4883.05    378.477  90.380  6.7328  94.507  3.6975  -4.126190      7.681237  
1 1 1 -3  47  26 o 20.216  7.5153  186.765    219.663  42.245     407.826  245.827    260.713  22.242  9.5164  22.485  8.2170  -0.2428246     12.57303  
1 1 1 -3  47  27 o 37.248  1.6370  753.439    66.040   771.905    68.395   499.045    253.857  37.699  1.6750  28.943  7.8841  8.756083       8.060104  
1 1 1 -3  47  28 o 21.972  7.4041  267.083    208.723  117.669    426.185  314.228    239.398  23.297  9.8384  23.633  7.9297  -0.3361244     12.63620  
1 1 1 -3  47  29 o 26.431  7.5163  424.814    225.383  493.840    445.072  401.008    261.373  28.927  10.709  25.796  8.2653  3.130781       13.52733  
1 1 1 -3  47  30 o 23.053  7.5681  325.099    218.383  16.084     451.062  419.711    249.585  21.364  9.5441  25.721  8.0573  -4.356747      12.49038  
1 1 1 -3  47  31 o 25.346  9.2156  413.708    327.330  0.0000     0.0000   413.708    327.330  ?       ?       25.346  9.2156  0.000000       9.215560  
1 1 1 -3  47  32 o 29.328  9.7244  629.715    360.222  0.0000     0.0000   629.715    360.222  ?       ?       29.328  9.7244  0.000000       9.724387  
1 1 1 -3  47  33 o 16.150  7.5213  -129.2014  320.541  0.0000     0.0000   -129.2014  320.541  ?       ?       16.150  7.5213  0.000000       7.521262  
1 1 1 -3  48  1  o 298.291 7.4197  48286.04   2397.15  50504.73   3391.85  46071.96   3388.32  304.777 10.275  291.040 10.749  13.73663       14.86992  
1 1 1 -3  48  2  o 15.812  6.2560  72.069     158.853  190.456    229.373  -37.0477   220.210  21.015  7.7031  15.898  6.8986  5.117229       10.34063  
1 1 1 -3  48  3  o 284.721 8.2080  44018.87   2531.22  41984.27   4447.56  44993.60   3078.39  276.831 14.888  287.685 9.8796  -10.85410      17.86780  
1 1 1 -3  48  4  o 128.101 3.0003  8890.09    416.277  8379.12    587.565  9405.04    589.850  124.339 4.3629  131.737 4.1339  -7.397423      6.010373  
1 1 1 -3  48  5  o 160.843 3.8776  14019.36   675.518  13671.20   1166.10  14195.21   828.739  158.727 6.7829  161.823 4.7283  -3.096130      8.268280  
1 1 1 -3  48  6  o 52.589  4.0217  1507.56    227.335  1545.68    315.774  1466.55    327.550  53.096  5.5741  51.655  5.9642  1.441093       8.163430  
1 1 1 -3  48  7  o 232.273 4.2892  29243.11   1079.06  29581.69   1525.83  28904.36   1526.20  233.513 6.0329  230.820 6.1048  2.693680       8.582760  
1 1 1 -3  48  8  o 308.280 5.3758  51543.67   1794.98  51076.59   2538.74  52010.57   2538.22  306.647 7.6438  309.446 7.5731  -2.799469      10.76011  
1 1 1 -3  48  9  o 346.818 5.9652  65268.39   2240.77  65536.55   3168.89  65000.23   3168.97  347.188 8.4270  345.759 8.4620  1.429199       11.94237  
1 1 1 -3  48  10 o 207.320 3.9765  23298.72   892.923  23545.46   1262.17  23051.49   1263.40  208.320 5.5939  206.118 5.6592  2.201279       7.957296  
1 1 1 -3  48  11 o 202.646 3.9200  22260.91   860.394  23258.18   1217.53  21266.11   1216.03  207.043 5.4294  197.961 5.6715  9.082016       7.851338  
1 1 1 -3  48  12 o 421.970 7.1699  96765.93   3276.93  96612.72   4633.99  96919.18   4634.55  420.895 10.165  421.567 10.150  -0.6713562     14.36503  
1 1 1 -3  48  13 o 254.619 4.5954  35163.52   1267.30  35214.78   1793.03  35112.35   1791.45  254.608 6.5020  254.237 6.5057  0.3710022      9.197809  
1 1 1 -3  48  14 o 250.571 4.6261  34060.16   1255.49  35151.89   1779.62  32978.40   1771.47  254.348 6.4599  246.336 6.6395  8.011993       9.263576  
1 1 1 -3  48  15 o 68.803  3.0797  2565.82    229.497  2760.29    444.751  2495.25    267.922  71.046  5.8311  67.739  3.6654  3.307518       6.887444  
1 1 1 -3  48  16 o 299.600 11.040  49213.73   3582.44  51175.77   5066.33  47251.69   5066.34  303.361 15.471  291.138 16.130  12.22305       22.34961  
1 1 1 -3  48  17 o 149.920 3.9966  12195.75   648.957  11464.49   1066.57  12625.62   817.750  145.089 6.7871  152.460 4.9522  -7.370392      8.401687  
1 1 1 -3  48  18 o 129.803 3.1485  9138.42    442.646  8657.87    868.277  9307.17    514.529  125.887 6.3890  130.964 3.6273  -5.076202      7.346885  
1 1 1 -3  48  19 o 132.366 3.1284  9507.05    448.505  9194.88    870.273  9619.95    523.360  129.803 6.1901  133.104 3.6303  -3.300751      7.176105  
1 1 1 -3  48  20 o 81.283  3.0799  3586.91    271.147  3401.65    525.586  3654.09    316.519  78.617  6.2233  82.006  3.5636  -3.389000      7.171369  
1 1 1 -3  48  21 o 95.312  2.9677  4934.57    306.366  4507.38    606.731  5080.76    354.938  90.424  6.2331  96.669  3.3900  -6.245972      7.095312  
1 1 1 -3  48  22 o 110.890 2.9245  6683.30    351.243  7679.87    741.472  6394.96    398.832  118.250 5.7892  108.403 3.3969  9.847092       6.712224  
1 1 1 -3  48  23 o 95.502  2.8882  4960.10    298.755  5701.47    508.342  4568.92    369.254  102.063 4.5985  91.532  3.7246  10.53143       5.917688  
1 1 1 -3  48  24 f 55.654  3.7787  1699.54    226.426  1645.45    471.283  1715.77    258.176  53.415  8.4254  55.813  4.3041  -2.398163      9.461111  
1 1 1 -3  48  25 o 72.590  3.4497  2878.44    271.227  2287.02    541.721  3076.29    313.327  63.041  8.1227  74.862  3.8776  -11.82038      9.000798  
1 1 1 -3  48  26 o 46.901  2.1687  1196.26    110.166  936.250    454.386  1212.50    113.553  39.002  10.516  47.214  2.2206  -8.211891      10.74825  
1 1 1 -3  48  27 o 63.395  3.8242  2218.11    261.353  2427.73    517.168  2146.22    302.874  64.673  7.5237  62.120  4.5328  2.552399       8.783655  
1 1 1 -3  48  28 f 35.775  5.9143  739.922    221.162  776.640    447.479  728.054    254.407  34.976  10.761  35.095  6.9387  -0.1192398     12.80428  
1 1 1 -3  48  29 o 27.300  7.2413  455.285    217.628  265.017    445.250  515.008    249.456  25.077  10.276  28.855  7.7969  -3.777773      12.89922  
1 1 1 -3  48  30 o 17.638  7.1588  114.552    213.528  -356.8260  443.194  257.047    243.674  17.757  8.4441  21.445  7.9266  -3.687237      11.58160  
1 1 1 -3  48  31 f 31.866  9.1512  700.693    332.480  0.0000     0.0000   700.693    332.480  ?       ?       31.866  9.1512  0.000000       9.151156  
1 1 1 -3  48  32 o 18.716  8.1535  79.013     310.065  0.0000     0.0000   79.013     310.065  ?       ?       18.716  8.1535  0.000000       8.153504  
1 1 1 -3  48  33 o 28.954  9.3515  627.822    334.080  0.0000     0.0000   627.822    334.080  ?       ?       28.954  9.3515  0.000000       9.351471  
1 1 1 -3  49  1  o 244.788 5.1130  32485.01   1355.61  33639.68   2350.51  31909.53   1659.38  248.849 8.7208  242.543 6.3167  6.306244       10.76812  
1 1 1 -3  49  2  o 255.260 6.4932  35347.71   1795.21  39394.27   2540.91  31314.50   2536.71  269.289 8.7117  239.995 9.7589  29.29387       13.08160  
1 1 1 -3  49  3  o 358.740 8.7336  69919.20   3393.47  67496.93   4798.43  72342.79   4799.74  351.863 12.591  364.356 12.162  -12.49292      17.50587  
1 1 1 -3  49  4  o 295.238 7.3685  47316.59   2356.25  45907.10   3330.72  48728.65   3333.75  290.443 10.588  299.276 10.285  -8.833618      14.76066  
1 1 1 -3  49  5  o 230.021 6.0549  28700.85   1508.51  29523.96   2131.98  27875.63   2134.72  233.113 8.4440  226.490 8.7021  6.623444       12.12544  
1 1 1 -3  49  6  o 181.423 4.1596  17839.47   817.370  17927.69   1001.25  17663.23   1415.21  181.834 5.0839  180.374 7.2440  1.460068       8.849920  
1 1 1 -3  49  7  o 41.358  3.2843  932.652    145.911  734.077    206.020  1132.50    206.680  36.399  5.3887  45.512  4.2416  -9.113720      6.857765  
1 1 1 -3  49  8  o 56.960  2.9169  1762.47    179.350  1861.67    258.697  1670.67    248.867  58.461  4.1118  55.359  4.1814  3.101768       5.864403  
1 1 1 -3  49  9  o 96.072  2.8243  5000.74    293.884  4996.45    420.862  5004.83    410.561  96.008  4.0473  96.090  3.9448  -0.8271790E-01 5.651726  
1 1 1 -3  49  10 o 178.420 3.6129  17253.51   698.180  17141.15   988.263  17365.47   986.490  177.766 5.1328  178.928 5.0903  -1.161804      7.228893  
1 1 1 -3  49  11 o 432.441 7.9133  101686.90  3706.44  102768.20  4854.37  100175.40  5739.49  434.115 10.324  427.956 12.382  6.158783       16.12183  
1 1 1 -3  49  12 o 86.256  2.6500  4031.21    247.580  4301.04    387.617  3845.27    321.767  89.068  4.0180  84.228  3.5271  4.840408       5.346470  
1 1 1 -3  49  13 o 337.520 5.8694  61852.78   2145.65  60368.72   3034.78  63336.12   3034.04  332.993 8.4144  341.122 8.2119  -8.128754      11.75740  
1 1 1 -3  49  14 o 130.807 4.5149  9281.99    639.654  9494.89    865.587  9025.84    949.430  132.209 6.0447  128.668 6.8373  3.541183       9.126184  
1 1 1 -3  49  15 o 155.608 4.7620  13140.92   802.591  13467.51   1131.91  12810.70   1138.19  157.372 6.6407  153.466 6.8475  3.905533       9.538707  
1 1 1 -3  49  16 o 173.354 5.0681  16319.99   951.584  16854.59   1342.08  15779.51   1349.44  175.943 7.0427  170.202 7.3201  5.740387       10.15791  
1 1 1 -3  49  17 o 197.274 3.8872  21117.12   830.560  21364.97   1186.09  20878.65   1163.42  198.229 5.5243  195.966 5.4813  2.263016       7.782229  
1 1 1 -3  49  18 o 116.260 3.0473  7331.09    383.720  7257.00    756.737  7356.74    445.200  115.251 6.0838  116.433 3.5303  -1.182220      7.033841  
1 1 1 -3  49  19 o 141.408 3.2976  10854.42   505.054  10226.73   976.365  11083.74   590.142  136.778 6.5906  142.837 3.8146  -6.058914      7.614936  
1 1 1 -3  49  20 o 140.986 3.2286  10796.19   493.010  10673.36   976.761  10838.18   571.094  139.564 6.4616  141.189 3.7345  -1.624603      7.463221  
1 1 1 -3  49  21 o 132.882 3.3132  9600.54    476.856  9764.40    984.035  9550.25    545.140  132.983 6.8553  132.451 3.8000  0.5317841      7.838039  
1 1 1 -3  49  22 o 56.949  3.4832  1772.17    213.816  1689.69    470.224  1793.66    240.070  54.506  8.2207  57.231  3.8961  -2.725414      9.097222  
1 1 1 -3  49  23 o 55.284  3.7490  1674.92    223.161  2352.48    464.876  1472.02    254.389  64.821  6.7190  51.652  4.5951  13.16847       8.140078  
1 1 1 -3  49  24 o 96.663  3.1321  5091.25    327.920  5032.84    668.115  5109.79    376.372  94.932  6.5377  96.746  3.5918  -1.813820      7.459384  
1 1 1 -3  49  25 o 15.960  1.8959  140.247    32.131   138.571    32.480   217.021    219.778  15.858  1.9309  21.047  7.5657  -5.189273      7.808171  
1 1 1 -3  49  26 o 104.315 3.2492  5949.83    367.107  6247.30    728.299  5848.51    425.056  105.268 6.4184  103.241 3.8012  2.026520       7.459527  
1 1 1 -3  49  27 o 70.502  3.6549  2737.93    278.132  3309.59    550.498  2541.99    322.293  76.054  6.7531  67.660  4.4223  8.394356       8.072225  
1 1 1 -3  49  28 o 32.245  1.9685  568.012    68.419   558.798    71.088   683.850    252.053  31.967  2.0642  33.884  7.0954  -1.916679      7.389542  
1 1 1 -3  49  29 o 24.010  7.4853  348.369    215.695  114.136    443.091  421.114    246.928  22.861  9.8528  26.126  7.9866  -3.264780      12.68320  
1 1 1 -3  49  30 o 14.166  6.4011  -68.9449   209.440  -508.0081  434.607  63.863     239.026  16.466  7.9663  17.279  7.3364  -0.8132000     10.82987  
1 1 1 -3  49  31 o 23.832  9.3524  334.212    352.323  0.0000     0.0000   334.212    352.323  ?       ?       23.832  9.3524  0.000000       9.352430  
1 1 1 -3  49  32 o 21.650  8.7584  255.784    318.489  0.0000     0.0000   255.784    318.489  ?       ?       21.650  8.7584  0.000000       8.758402  
1 1 1 -3  49  33 o 21.522  8.9902  246.258    349.816  0.0000     0.0000   246.258    349.816  ?       ?       21.522  8.9902  0.000000       8.990178  
1 1 1 -3  50  1  o 265.858 4.7299  38314.10   1361.99  40109.98   1928.12  36525.53   1924.19  271.898 6.5472  259.442 6.8476  12.45581       9.473938  
1 1 1 -3  50  2  o 173.945 3.5054  16394.47   660.417  16094.56   933.155  16695.44   934.787  172.299 5.0003  175.489 4.9180  -3.190018      7.013597  
1 1 1 -3  50  3  o 262.481 6.6956  37384.93   1903.53  35964.98   2691.14  38806.68   2692.85  257.172 9.6614  267.179 9.3055  -10.00662      13.41403  
1 1 1 -3  50  4  o 389.386 9.4015  82441.70   3965.03  80458.76   5606.23  84426.32   5608.58  383.861 13.484  393.286 13.167  -9.425842      18.84636  
1 1 1 -3  50  5  o 430.372 10.310  100811.00  4805.75  98653.19   6795.24  102970.20  6797.46  424.622 14.775  433.906 14.464  -9.283691      20.67618  
1 1 1 -3  50  6  o 246.180 5.2039  32864.70   1387.55  32976.76   1700.05  32641.12   2401.46  246.517 6.3671  245.008 9.0495  1.508896       11.06500  
1 1 1 -3  50  7  o 100.746 2.8098  5498.94    306.598  5855.02    438.675  5158.89    428.688  103.937 3.8968  97.559  4.0570  6.377579       5.625283  
1 1 1 -3  50  8  o 279.843 4.9865  42469.29   1511.42  43944.74   2138.18  40995.82   2136.75  284.478 6.9395  274.741 7.1806  9.736847       9.985845  
1 1 1 -3  50  9  o 124.232 2.9832  8362.49    401.410  8441.81    567.218  8282.91    568.142  124.787 4.1967  123.605 4.2437  1.181511       5.968403  
1 1 1 -3  50  10 o 132.711 3.1068  9543.71    446.570  9651.58    633.254  9436.99    629.851  133.419 4.3822  131.926 4.4079  1.492462       6.215595  
1 1 1 -3  50  11 f 400.472 6.8398  87125.22   2966.80  88305.10   4196.52  85946.27   4194.85  402.558 9.6248  397.112 9.7529  5.445862       13.70239  
1 1 1 -3  50  12 o 137.022 3.2621  10175.42   484.127  10411.98   690.896  9947.21    678.586  138.554 4.6039  135.425 4.6263  3.128693       6.526768  
1 1 1 -3  50  13 o 211.121 4.9639  24184.41   1135.08  24424.40   1286.65  23342.00   2410.61  212.111 5.6005  206.396 10.821  5.714462       12.18449  
1 1 1 -3  50  14 o 287.116 7.2324  44846.99   2249.09  44419.52   3178.05  45275.89   3183.35  285.080 10.293  287.836 10.211  -2.755768      14.49836  
1 1 1 -3  50  15 o 158.979 4.7814  13717.61   823.307  13391.44   1157.14  14052.00   1171.66  156.899 6.8092  160.730 6.7303  -3.831406      9.574027  
1 1 1 -3  50  16 o 259.134 4.7090  36458.08   1321.68  36954.90   1875.94  35968.41   1862.40  260.565 6.6471  257.055 6.6892  3.509583       9.430256  
1 1 1 -3  50  17 o 139.242 3.3114  10515.94   499.402  10516.47   745.759  10515.52   672.441  139.114 4.9495  139.152 4.4616  -0.3833008E-01 6.663580  
1 1 1 -3  50  18 o 109.295 3.0092  6479.53    356.218  6771.04    702.779  6378.75    413.236  111.325 5.8490  108.409 3.5193  2.915672       6.826167  
1 1 1 -3  50  19 o 23.812  6.1449  321.361    159.546  357.261    298.476  307.000    188.779  26.284  8.8540  23.499  6.9384  2.784763       11.24880  
1 1 1 -3  50  20 o 75.279  2.5808  3075.15    210.423  2569.60    474.718  3198.77    234.745  68.149  6.5106  76.762  2.8234  -8.613441      7.096483  
1 1 1 -3  50  21 o 106.514 2.9761  6164.71    343.335  5488.30    673.308  6402.40    399.125  99.741  6.2644  108.493 3.3965  -8.751862      7.125961  
1 1 1 -3  50  22 o 86.562  3.1319  4075.83    293.636  3611.84    595.757  4224.72    337.475  80.531  6.8968  88.076  3.5377  -7.545067      7.751204  
1 1 1 -3  50  23 o 33.388  5.8187  631.846    202.772  1152.77    417.265  470.796    232.008  44.438  8.9783  28.528  7.4337  15.91085       11.65631  
1 1 1 -3  50  24 o 52.094  3.9270  1492.50    219.945  1993.81    464.106  1347.30    249.775  59.227  7.3961  49.304  4.7356  9.922493       8.782230  
1 1 1 -3  50  25 o 66.766  3.6069  2445.56    259.861  2175.25    515.625  2537.59    300.863  61.450  7.9324  67.885  4.1113  -6.434959      8.934495  
1 1 1 -3  50  26 o 11.810  2.5832  78.950     32.124   346.652    411.228  77.306     32.223   26.934  10.225  11.683  2.6121  15.25162       10.55330  
1 1 1 -3  50  27 o 34.776  1.1784  655.946    44.387   457.136    427.293  658.115    44.628   28.879  10.525  34.833  1.1829  -5.954426      10.59094  
1 1 1 -3  50  28 o 40.435  2.1418  893.485    93.467   884.504    99.466   961.277    273.284  40.204  2.2937  40.579  6.4324  -0.3747902     6.829112  
1 1 1 -3  50  29 o 37.209  6.0758  819.568    236.407  1323.22    472.189  651.089    273.100  44.652  10.011  32.201  7.8918  12.45071       12.74736  
1 1 1 -3  50  30 o 25.276  8.3396  407.492    265.054  0.0000     0.0000   407.492    265.054  ?       ?       25.276  8.3396  0.000000       8.339613  
1 1 1 -3  50  31 o 27.060  9.2314  500.208    324.500  0.0000     0.0000   500.208    324.500  ?       ?       27.060  9.2314  0.000000       9.231370  
1 1 1 -3  50  32 o 16.097  7.4587  -123.3960  309.156  0.0000     0.0000   -123.3960  309.156  ?       ?       16.097  7.4587  0.000000       7.458692  
1 1 1 -3  50  33 o 17.058  7.7564  -33.6046   313.416  0.0000     0.0000   -33.6046   313.416  ?       ?       17.058  7.7564  0.000000       7.756414  
1 1 1 -3  51  1  o 215.910 4.0303  25264.06   942.487  25773.36   1334.32  24756.97   1331.44  217.999 5.6512  213.651 5.7537  4.347290       8.064754  
1 1 1 -3  51  2  o 149.917 3.2126  12177.22   521.655  12077.14   736.782  12277.81   738.686  149.265 4.5573  150.500 4.5316  -1.235794      6.426882  
1 1 1 -3  51  3  o 286.064 5.0305  44368.63   1558.65  43767.92   2205.01  44968.53   2203.51  283.949 7.1697  287.827 7.0683  -3.877808      10.06800  
1 1 1 -3  51  4  o 312.515 7.7296  53041.42   2616.37  50939.63   3698.57  55146.71   3701.64  305.789 11.167  318.237 10.739  -12.44760      15.49311  
1 1 1 -3  51  5  o 183.987 5.1399  18356.27   1024.27  17406.08   1445.21  19315.24   1451.87  179.032 7.4530  188.619 7.1068  -9.586655      10.29821  
1 1 1 -3  51  6  o 334.006 8.2174  60629.70   2972.77  60943.36   4202.87  60315.65   4205.38  334.281 11.608  332.541 11.676  1.739655       16.46439  
1 1 1 -3  51  7  o 159.332 3.8762  13759.55   668.931  14013.32   819.883  13254.30   1156.89  160.763 4.7087  156.243 6.8363  4.519928       8.301009  
1 1 1 -3  51  8  o 59.024  3.0519  1892.77    194.440  2024.13    294.143  1790.82    259.132  60.936  4.4883  57.322  4.2031  3.613762       6.149051  
1 1 1 -3  51  9  o 269.860 4.8363  39494.72   1413.60  40897.10   2001.68  38099.46   1996.60  274.426 6.7344  264.848 6.9602  9.577515       9.684887  
1 1 1 -3  51  10 o 234.243 4.3350  29750.84   1099.82  28820.56   1554.96  30682.13   1555.80  230.402 6.2311  237.745 6.0419  -7.342377      8.679317  
1 1 1 -3  51  11 o 152.086 3.3082  12535.57   544.942  12795.79   777.714  12284.57   763.804  153.599 4.6748  150.499 4.6858  3.100052       6.618910  
1 1 1 -3  51  12 o 167.486 3.5155  15205.10   637.735  15157.94   904.070  15251.80   899.734  167.148 4.9938  167.667 4.9544  -0.5191345     7.034513  
1 1 1 -3  51  13 o 164.206 4.8839  14630.54   868.609  13874.82   1228.29  15386.52   1228.50  159.737 7.0995  168.248 6.7415  -8.510681      9.790301  
1 1 1 -3  51  14 o 70.186  4.1386  2681.14    313.216  2528.14    427.250  2858.90    460.529  67.969  5.8609  72.301  5.9332  -4.331627      8.339839  
1 1 1 -3  51  15 o 122.369 3.0861  8117.20    409.024  7939.38    578.524  8294.93    578.369  120.959 4.4158  123.643 4.3188  -2.684151      6.176710  
1 1 1 -3  51  16 o 113.481 3.0423  6982.00    373.930  6677.15    536.351  7270.31    521.592  110.904 4.4651  115.744 4.1607  -4.839676      6.103121  
1 1 1 -3  51  17 o 108.151 3.0649  6343.35    359.017  6398.34    518.905  6292.86    497.241  108.536 4.4141  107.648 4.2647  0.8878098      6.137753  
1 1 1 -3  51  18 o 81.786  2.9797  3628.69    263.951  3695.96    514.224  3604.62    307.560  82.139  5.8177  81.488  3.4847  0.6506424      6.781507  
1 1 1 -3  51  19 o 139.942 3.2175  10633.23   487.682  10510.20   968.323  10675.04   564.502  138.587 6.4510  140.156 3.7186  -1.568497      7.446064  
1 1 1 -3  51  20 o 86.521  2.9290  4065.36    274.481  3328.91    537.970  4324.55    319.147  77.620  6.4576  89.203  3.3032  -11.58302      7.253439  
1 1 1 -3  51  21 o 82.941  2.9506  3738.42    265.068  3600.67    517.462  3787.42    308.635  80.760  5.9578  83.434  3.4153  -2.674187      6.867335  
1 1 1 -3  51  22 o 37.972  4.8220  801.627    193.846  667.875    398.630  843.051    221.842  33.993  10.094  38.828  5.4231  -4.834595      11.45844  
1 1 1 -3  51  23 o 101.819 3.1151  5645.60    343.541  6323.38    696.390  5427.60    394.943  106.784 6.0459  99.730  3.6563  7.053940       7.065515  
1 1 1 -3  51  24 o 25.489  1.2739  352.212    35.170   493.159    49.082   203.482    50.419   30.154  1.5028  19.186  2.4846  10.96768       2.903740  
1 1 1 -3  51  25 o 27.964  7.1234  457.492    216.355  108.901    419.285  583.993    252.579  23.465  9.8256  31.523  7.5056  -8.057638      12.36434  
1 1 1 -3  51  26 o 40.592  5.4245  932.615    232.521  916.600    450.742  938.422    271.424  38.430  10.521  40.384  6.4202  -1.954090      12.32529  
1 1 1 -3  51  27 o 57.606  4.1491  1840.91    257.147  1275.76    503.911  2039.90    299.010  45.050  10.518  60.495  4.5979  -15.44494      11.47940  
1 1 1 -3  51  28 o 64.537  3.8619  2312.21    268.708  2164.83    540.080  2360.70    309.769  59.678  8.6042  64.964  4.4289  -5.286102      9.677161  
1 1 1 -3  51  29 o 50.899  4.4942  1471.53    245.215  1224.68    506.331  1547.17    280.277  41.781  11.028  51.889  5.0510  -10.10784      12.12926  
1 1 1 -3  51  30 o 18.608  7.6090  130.043    243.474  0.0000     0.0000   130.043    243.474  ?       ?       18.608  7.6090  0.000000       7.608973  
1 1 1 -3  51  31 o 23.591  8.9908  341.457    318.729  0.0000     0.0000   341.457    318.729  ?       ?       23.591  8.9908  0.000000       8.990805  
1 1 1 -3  51  32 f 28.962  9.7809  627.481    364.248  0.0000     0.0000   627.481    364.248  ?       ?       28.962  9.7809  0.000000       9.780899  
1 1 1 -3  51  33 o 26.037  9.2349  493.541    326.416  0.0000     0.0000   493.541    326.416  ?       ?       26.037  9.2349  0.000000       9.234906  
1 1 1 -3  52  1  o 161.011 3.3441  14046.81   583.185  14076.12   826.915  14017.81   822.599  161.136 4.7380  160.802 4.7231  0.3335419      6.690031  
1 1 1 -3  52  2  o 182.888 3.6123  18125.04   715.556  17509.85   1011.21  18742.04   1012.69  179.698 5.1955  185.921 5.0290  -6.222809      7.230760  
1 1 1 -3  52  3  o 200.184 3.8427  21717.46   833.176  21518.51   1180.69  21914.80   1175.91  199.191 5.4726  201.021 5.4009  -1.829605      7.688859  
1 1 1 -3  52  4  o 117.948 3.3145  7538.06    423.431  7808.62    733.830  7403.01    518.443  119.983 5.6469  116.869 4.0957  3.113312       6.975812  
1 1 1 -3  52  5  o 116.406 4.1283  7344.78    520.493  7049.45    735.009  7641.85    737.173  113.829 5.9827  118.687 5.7345  -4.858208      8.287145  
1 1 1 -3  52  6  o 43.834  4.2746  1051.49    200.361  1001.30    272.193  1110.84    296.010  42.528  6.0824  44.810  6.2708  -2.281467      8.736096  
1 1 1 -3  52  7  o 95.024  3.8919  4894.20    400.557  4871.20    563.849  4917.62    569.136  94.598  5.5272  95.047  5.5526  -0.4489365     7.834635  
1 1 1 -3  52  8  o 66.920  3.9504  2435.97    285.065  2627.45    408.204  2253.70    398.266  69.377  5.4770  64.186  5.7912  5.190788       7.970852  
1 1 1 -3  52  9  o 304.348 5.3594  50253.41   1766.68  49591.77   2498.64  50914.88   2498.28  302.058 7.6374  306.075 7.5360  -4.017670      10.72944  
1 1 1 -3  52  10 o 459.474 7.7280  114784.30  3845.88  114897.10  5439.06  114671.60  5438.73  458.788 10.946  458.334 10.956  0.4537048      15.48669  
1 1 1 -3  52  11 o 309.615 5.4618  52022.85   1831.60  52719.52   2590.63  51326.56   2589.92  311.362 7.6819  307.204 7.7838  4.157928       10.93612  
1 1 1 -3  52  12 o 220.134 6.7445  26334.29   1608.08  26124.84   1993.34  26724.65   2721.28  219.048 8.4018  220.761 11.420  -1.713089      14.17774  
1 1 1 -3  52  13 o 174.589 5.0157  16542.47   948.465  15786.86   1336.04  17310.17   1346.69  170.358 7.2408  178.417 6.9688  -8.059036      10.04955  
1 1 1 -3  52  14 o 34.672  4.8567  665.133    177.382  570.241    252.224  757.993    249.510  31.735  7.4632  36.801  6.4973  -5.065681      9.895178  
1 1 1 -3  52  15 o 177.928 3.6521  17169.76   703.806  16628.69   997.293  17706.59   993.382  174.965 5.2626  180.565 5.0794  -5.600449      7.314060  
1 1 1 -3  52  16 o 148.173 3.3504  11907.27   537.699  11954.32   772.764  11863.10   748.652  148.350 4.8094  147.795 4.6768  0.5549469      6.708417  
1 1 1 -3  52  17 o 186.557 3.7766  18891.76   763.099  19296.19   1085.02  18495.90   1073.44  188.327 5.3193  184.372 5.3754  3.955673       7.562432  
1 1 1 -3  52  18 o 152.858 3.8647  12693.57   639.839  12586.06   1100.44  12748.47   786.437  151.732 6.6961  153.066 4.7437  -1.334061      8.206084  
1 1 1 -3  52  19 o 98.270  2.9933  5242.53    318.597  5126.91    618.653  5284.26    371.672  96.658  5.9381  98.618  3.4796  -1.960007      6.882498  
1 1 1 -3  52  20 o 108.653 2.9793  6412.92    350.609  6526.00    692.673  6373.96    406.534  108.970 5.8907  108.264 3.4669  0.7060471      6.835178  
1 1 1 -3  52  21 o 28.997  5.8060  477.632    175.989  556.062    383.536  456.714    198.072  31.534  10.003  28.235  6.5960  3.299137       11.98159  
1 1 1 -3  52  22 o 42.455  4.4182  995.820    200.186  1000.91    412.911  994.256    228.884  41.326  9.4328  42.283  5.1008  -0.9575310     10.72358  
1 1 1 -3  52  23 o 112.581 3.0989  6902.72    377.869  6944.18    716.871  6886.77    444.657  111.937 5.9341  112.328 3.6548  -0.3912811     6.969273  
1 1 1 -3  52  24 o 39.901  4.7487  887.554    201.194  1191.19    414.797  794.141    230.070  45.009  8.8241  37.427  5.8684  7.581963       10.59732  
1 1 1 -3  52  25 o 49.546  4.3511  1360.61    231.130  1718.32    459.355  1239.35    267.452  54.368  8.0435  46.990  5.3504  7.378395       9.660460  
1 1 1 -3  52  26 o 57.627  2.6537  1811.26    165.632  1692.12    199.770  2073.28    296.259  55.489  3.3395  61.093  4.5091  -5.604000      5.611129  
1 1 1 -3  52  27 o 29.094  1.5920  461.128    49.977   590.459    440.167  459.439    50.302   31.382  10.751  29.039  1.6056  2.343258       10.87045  
1 1 1 -3  52  28 o 76.555  3.5927  3237.76    297.894  2656.99    595.153  3431.91    344.101  66.048  8.5180  78.505  4.0607  -12.45724      9.436439  
1 1 1 -3  52  29 o 45.465  2.4180  1136.87    118.646  1087.01    131.721  1351.31    273.143  44.353  2.7556  48.243  5.3156  -3.890411      5.987438  
1 1 1 -3  52  30 o 34.542  8.7432  796.189    327.404  0.0000     0.0000   796.189    327.404  ?       ?       34.542  8.7432  0.000000       8.743218  
1 1 1 -3  52  31 o 20.218  8.6970  128.546    343.890  0.0000     0.0000   128.546    343.890  ?       ?       20.218  8.6970  0.000000       8.696967  
1 1 1 -3  52  32 o 17.106  7.7766  -41.3104   314.862  0.0000     0.0000   -41.3104   314.862  ?       ?       17.106  7.7766  0.000000       7.776552  
1 1 1 -3  53  1  o 326.463 5.6684  57809.79   2004.29  58501.05   2835.75  57119.75   2833.25  328.152 7.9785  324.243 8.0676  3.908722       11.34648  
1 1 1 -3  53  2  o 302.832 5.7193  49746.13   1875.91  48274.64   2883.20  50826.32   2470.28  297.967 8.9338  305.927 7.4552  -7.959473      11.63583  
1 1 1 -3  53  3  o 186.940 4.2347  18942.78   857.412  20500.25   1486.47  18166.23   1049.62  194.313 7.0629  183.020 5.2950  11.29305       8.827307  
1 1 1 -3  53  4  o 277.099 6.9851  41689.67   2096.43  39787.37   2962.99  43596.62   2966.61  270.322 10.120  283.031 9.6773  -12.70975      14.00228  
1 1 1 -3  53  5  o 82.124  3.2072  3654.48    285.279  3470.29    351.679  4008.91    487.841  79.910  4.0768  85.812  5.2743  -5.902069      6.666258  
1 1 1 -3  53  6  o 226.344 4.8764  27781.96   1195.47  27749.15   2069.06  27798.39   1464.70  225.907 8.4562  226.335 5.9748  -0.4284058     10.35400  
1 1 1 -3  53  7  o 202.939 5.5236  22343.43   1214.11  21971.21   1715.27  22717.17   1718.75  201.055 7.8768  204.450 7.7617  -3.395355      11.05835  
1 1 1 -3  53  8  f 99.689  3.9803  5387.16    429.764  5426.21    610.916  5348.90    604.687  99.839  5.6729  99.125  5.6556  0.7145462      8.010509  
1 1 1 -3  53  9  o 153.049 4.7635  12703.90   789.639  12891.04   1119.04  12518.31   1114.41  154.061 6.7063  151.813 6.7774  2.248245       9.534575  
1 1 1 -3  53  10 o 147.337 3.7864  11767.67   604.247  11638.00   736.909  12033.78   1055.64  146.487 4.6446  148.849 6.5478  -2.362061      8.027832  
1 1 1 -3  53  11 o 335.225 8.2610  61159.98   2999.42  62154.03   4241.78  60165.89   4241.86  337.124 11.617  331.634 11.809  5.489624       16.56540  
1 1 1 -3  53  12 o 177.913 5.1366  17177.79   989.814  18484.29   1398.28  15865.53   1401.34  184.388 7.0015  170.771 7.5764  13.61710       10.31610  
1 1 1 -3  53  13 o 266.667 4.7938  38588.92   1384.59  40671.35   1963.45  36529.00   1952.80  273.515 6.6278  259.161 6.9569  14.35373       9.608672  
1 1 1 -3  53  14 o 194.164 3.8118  20445.63   801.617  20836.06   1135.37  20057.54   1131.95  195.873 5.3517  192.170 5.4384  3.702972       7.630016  
1 1 1 -3  53  15 o 149.566 3.3949  12130.74   549.961  11943.62   785.117  12311.01   770.610  148.302 4.8878  150.579 4.7250  -2.277252      6.798252  
1 1 1 -3  53  16 o 175.343 3.7007  16682.28   702.820  16895.68   957.539  16433.05   1034.83  176.319 5.0140  173.826 5.4965  2.492645       7.439879  
1 1 1 -3  53  17 o 94.990  2.8658  4893.62    294.847  4864.01    460.404  4914.21    383.898  94.601  4.4934  95.141  3.7254  -0.5405121     5.836914  
1 1 1 -3  53  18 o 125.324 3.5709  8530.28    484.708  8418.87    831.828  8587.56    596.428  124.144 6.1864  125.652 4.3825  -1.507813      7.581397  
1 1 1 -3  53  19 o 125.134 3.0762  8503.35    416.925  7800.70    825.334  8744.10    483.097  119.135 6.4198  126.839 3.5165  -7.703758      7.319839  
1 1 1 -3  53  20 o 61.296  3.3168  2048.78    219.382  1865.42    404.193  2125.36    261.204  57.886  6.5628  62.356  3.8868  -4.470478      7.627425  
1 1 1 -3  53  21 o 45.579  3.8662  1140.21    189.062  1174.77    418.194  1131.33    211.959  45.099  8.8774  45.315  4.3728  -0.2165909     9.895965  
1 1 1 -3  53  22 o 69.792  3.2736  2652.49    247.455  2582.47    506.124  2674.49    283.672  67.871  6.9847  69.920  3.7596  -2.048782      7.932220  
1 1 1 -3  53  23 o 35.632  5.1997  712.761    194.763  786.511    404.663  690.527    222.191  36.412  9.9689  34.838  6.1114  1.574638       11.69312  
1 1 1 -3  53  24 o 50.151  2.2509  1367.09    122.268  1357.76    443.495  1367.86    127.197  48.075  8.8431  50.157  2.3414  -2.082298      9.147822  
1 1 1 -3  53  25 o 77.384  3.5715  3279.08    299.345  3126.08    559.791  3340.35    354.248  74.088  7.0615  77.825  4.2183  -3.737434      8.225511  
1 1 1 -3  53  26 o 24.872  7.3664  360.928    212.517  137.598    402.309  447.366    250.287  23.271  9.6741  27.491  7.9530  -4.219772      12.52352  
1 1 1 -3  53  27 o 60.831  4.0540  2053.10    265.577  1854.27    515.448  2124.96    309.873  55.379  8.8947  61.651  4.6754  -6.272503      10.04859  
1 1 1 -3  53  28 o 40.143  5.9741  941.211    251.834  1058.06    466.409  893.127    299.195  39.826  10.619  38.337  7.4741  1.489559       12.98522  
1 1 1 -3  53  29 o 3.3087  1.6742  -102.4490  29.582   -105.5636  29.775   134.549    259.733  3.2883  1.6656  19.170  7.8513  -15.88211      8.026012  
1 1 1 -3  53  30 o 29.480  9.2462  593.665    328.560  0.0000     0.0000   593.665    328.560  ?       ?       29.480  9.2462  0.000000       9.246167  
1 1 1 -3  53  31 o 39.466  8.2769  1039.74    342.503  0.0000     0.0000   1039.74    342.503  ?       ?       39.466  8.2769  0.000000       8.276855  
1 1 1 -3  53  32 o 13.684  6.6450  -387.5196  309.764  0.0000     0.0000   -387.5196  309.764  ?       ?       13.684  6.6450  0.000000       6.645049  
1 1 1 -3  54  1  o 278.016 4.9009  41910.53   1475.77  43460.20   2088.26  40364.41   2085.86  282.944 6.8142  272.655 7.0632  10.28812       9.814369  
1 1 1 -3  54  2  o 193.934 3.7782  20383.26   793.608  21460.17   1123.47  19310.74   1121.19  198.923 5.2144  188.684 5.4862  10.23921       7.568959  
1 1 1 -3  54  3  o 472.457 9.1409  121422.80  4677.57  123502.60  8103.69  120383.60  5728.15  474.405 15.771  469.892 11.255  4.513184       19.37537  
1 1 1 -3  54  4  o 120.418 3.3823  7857.71    441.143  7929.40    540.929  7715.35    762.275  120.948 4.1293  119.246 5.9020  1.701477       7.203051  
1 1 1 -3  54  5  o 213.361 4.0185  24675.55   928.656  24770.28   1313.75  24580.96   1312.89  213.673 5.6767  212.854 5.6947  0.8193665      8.040812  
1 1 1 -3  54  6  o 31.863  4.0460  559.153    136.481  547.392    196.614  570.089    189.603  31.233  6.0304  31.939  5.6896  -0.7056007     8.290773  
1 1 1 -3  54  7  o 125.716 3.4717  8565.22    472.717  9193.57    815.945  8247.76    579.963  130.161 5.7877  123.339 4.3414  6.822250       7.235044  
1 1 1 -3  54  8  o 322.019 7.9213  56379.85   2762.79  53260.56   3903.65  59510.45   3910.71  312.292 11.541  330.249 10.933  -17.95639      15.89734  
1 1 1 -3  54  9  f 163.057 4.9011  14421.47   865.563  14960.11   1218.34  13872.54   1229.92  165.953 6.7782  159.783 7.1068  6.170181       9.820948  
1 1 1 -3  54  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  54  11 o 131.728 6.2649  9425.17    893.850  9425.17    893.850  0.0000     0.0000   131.728 6.2649  ?       ?       0.000000       6.264916  
1 1 1 -3  54  12 o 81.647  3.4116  3613.65    301.699  3344.04    520.052  3750.42    370.400  78.213  6.1896  83.160  4.1123  -4.946747      7.431159  
1 1 1 -3  54  13 o 208.140 4.0309  23495.97   908.714  23839.70   1287.24  23154.51   1283.00  209.505 5.6728  206.465 5.7373  3.039597       8.068304  
1 1 1 -3  54  14 o 43.183  2.0756  1010.34    97.078   1050.47    274.863  1004.62    103.765  43.557  5.9843  43.001  2.2356  0.5562210      6.388272  
1 1 1 -3  54  15 o 78.711  3.1237  3359.20    266.298  3040.51    383.217  3656.79    370.318  74.674  4.7630  81.978  4.1846  -7.303871      6.340110  
1 1 1 -3  54  16 o 112.077 3.0671  6812.41    372.318  7161.22    532.101  6477.80    521.145  114.833 4.2782  109.207 4.4059  5.626068       6.141240  
1 1 1 -3  54  17 o 166.178 3.5167  14991.12   632.971  14601.15   899.691  15373.32   890.688  163.789 5.0715  168.094 4.8922  -4.304321      7.046556  
1 1 1 -3  54  18 o 137.415 3.6847  10260.46   548.411  9198.47    930.907  10824.93   678.685  129.451 6.6620  141.036 4.4429  -11.58522      8.007598  
1 1 1 -3  54  19 o 25.845  1.2627  361.908    35.347   223.364    287.051  364.041    35.618   22.943  8.5788  25.921  1.2687  -2.977360      8.672128  
1 1 1 -3  54  20 o 54.346  3.3360  1612.24    195.414  1680.11    376.171  1587.16    228.694  54.906  6.4483  53.834  3.9498  1.072083       7.561792  
1 1 1 -3  54  21 o 82.236  3.0257  3677.46    269.502  3539.72    568.705  3717.34    306.049  79.802  6.6399  82.634  3.4195  -2.832024      7.468697  
1 1 1 -3  54  22 o 71.722  3.3451  2802.72    259.856  3451.17    520.584  2587.53    299.889  78.799  6.1482  68.701  4.0481  10.09814       7.361205  
1 1 1 -3  54  23 o 129.327 3.2436  9117.84    454.340  9631.23    907.843  8946.29    524.788  131.687 6.3650  127.952 3.7868  3.735046       7.406261  
1 1 1 -3  54  24 o 57.477  3.8121  1816.43    235.969  1902.40    476.013  1788.42    271.703  57.490  7.8498  56.877  4.4459  0.6133766      9.021333  
1 1 1 -3  54  25 o 19.262  7.1641  168.478    199.660  -4.1079    392.242  228.835    231.960  21.210  9.2053  21.502  7.7669  -0.2917728     12.04422  
1 1 1 -3  54  26 o 19.653  7.3575  176.116    211.265  426.220    400.102  79.425     248.773  28.090  10.192  18.524  7.6464  9.565250       12.74169  
1 1 1 -3  54  27 o 38.303  2.1071  801.482    87.080   804.689    441.730  801.353    88.823   35.491  10.645  38.293  2.1503  -2.802479      10.86035  
1 1 1 -3  54  28 o 30.096  7.2064  555.075    231.799  487.599    436.409  581.592    273.581  28.425  10.588  30.445  8.1396  -2.019306      13.35492  
1 1 1 -3  54  29 o 32.902  2.3242  596.315    82.293   559.073    86.449   955.966    268.648  31.803  2.5306  39.802  6.4526  -7.999487      6.931126  
1 1 1 -3  54  30 f 22.626  8.9804  273.400    328.293  0.0000     0.0000   273.400    328.293  ?       ?       22.626  8.9804  0.000000       8.980384  
1 1 1 -3  54  31 o 25.149  9.2446  425.179    330.694  0.0000     0.0000   425.179    330.694  ?       ?       25.149  9.2446  0.000000       9.244634  
1 1 1 -3  54  32 o 79.539  5.6120  3807.68    480.373  0.0000     0.0000   3807.68    480.373  ?       ?       79.539  5.6120  0.000000       5.612046  
1 1 1 -3  55  1  o 86.515  2.7293  4055.08    255.752  4031.12    361.332  4079.14    362.044  86.242  3.8683  86.754  3.8530  -0.5124969     5.459797  
1 1 1 -3  55  2  o 20.428  5.9392  230.651    139.272  97.756     242.701  295.897    170.058  19.265  7.6975  23.055  6.5194  -3.789448      10.08735  
1 1 1 -3  55  3  f 154.964 4.6819  13020.52   785.816  13707.04   1110.94  12333.06   1111.69  158.910 6.4546  150.715 6.8101  8.194427       9.382952  
1 1 1 -3  55  4  o 47.955  3.6299  1253.47    187.140  1298.22    230.457  1166.82    320.662  48.735  4.4138  45.887  6.6453  2.847855       7.977545  
1 1 1 -3  55  5  o 244.255 4.4823  32346.92   1185.82  32793.71   1676.76  31899.87   1677.24  245.796 6.2983  242.415 6.3880  3.380936       8.970837  
1 1 1 -3  55  6  o 344.665 5.9622  64470.77   2225.74  62083.62   3147.78  66857.59   3147.56  337.835 8.6026  350.639 8.2879  -12.80429      11.94545  
1 1 1 -3  55  7  o 239.651 4.3785  31139.89   1136.51  31007.46   1607.90  31272.12   1606.65  238.997 6.2115  240.017 6.1803  -1.020676      8.762351  
1 1 1 -3  55  8  o 283.808 5.0775  43693.55   1560.79  43227.25   2207.82  44159.41   2206.77  282.047 7.2272  285.083 7.1469  -3.035522      10.16417  
1 1 1 -3  55  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  55  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  55  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  55  12 o 54.108  5.7675  1607.99    332.792  1639.57    532.625  1587.76    426.234  54.045  9.4428  53.492  7.5680  0.5526695      12.10131  
1 1 1 -3  55  13 o 150.946 3.4580  12353.43   565.352  12621.48   787.344  12068.12   812.295  152.496 4.7669  149.097 5.0301  3.398926       6.930008  
1 1 1 -3  55  14 o 36.564  4.9417  739.109    190.690  595.675    273.107  875.555    266.371  32.412  7.8606  39.617  6.4281  -7.205395      10.15423  
1 1 1 -3  55  15 o 23.414  6.6328  306.261    175.865  440.486    249.395  173.498    248.033  28.025  7.8845  21.028  7.9509  6.997808       11.19746  
1 1 1 -3  55  16 o 81.281  3.0593  3583.42    269.328  3509.38    391.192  3650.14    371.356  80.236  4.5198  81.871  4.2020  -1.634216      6.171354  
1 1 1 -3  55  17 o 22.695  6.2636  289.786    159.003  315.193    224.918  264.404    224.810  24.169  7.6592  22.744  7.6840  1.424583       10.84926  
1 1 1 -3  55  18 o 125.880 3.0986  8603.60    422.472  8786.11    605.653  8430.63    589.601  127.041 4.4016  124.449 4.3742  2.592529       6.205433  
1 1 1 -3  55  19 o 85.865  2.8955  4004.03    269.285  3511.71    523.247  4181.41    314.070  79.805  6.0997  87.709  3.3061  -7.904099      6.938015  
1 1 1 -3  55  20 o 68.017  3.0476  2514.68    224.512  2334.61    436.908  2579.29    261.709  64.854  6.2993  68.753  3.5263  -3.898560      7.219160  
1 1 1 -3  55  21 o 110.299 3.0898  6618.06    369.124  6653.68    744.331  6606.44    425.076  109.656 6.2934  110.121 3.5639  -0.4652176     7.232473  
1 1 1 -3  55  22 o 17.869  6.6890  135.527    174.608  -242.8733  376.994  238.868    197.013  18.277  8.3845  21.334  7.1933  -3.057270      11.04736  
1 1 1 -3  55  23 o 24.187  6.7330  336.042    182.874  297.504    392.303  346.741    206.707  26.127  9.9705  24.644  7.2559  1.483461       12.33123  
1 1 1 -3  55  24 f 126.304 3.2152  8710.13    439.834  9110.60    888.725  8580.23    506.169  127.462 6.4586  125.181 3.7332  2.280998       7.459911  
1 1 1 -3  55  25 o 50.667  2.4439  1398.05    134.114  1351.00    152.139  1562.05    284.054  49.679  2.8392  52.862  5.0215  -3.182858      5.768561  
1 1 1 -3  55  26 o 38.334  5.5045  836.628    221.986  826.865    438.837  839.986    257.339  36.387  10.532  38.075  6.4717  -1.688591      12.36152  
1 1 1 -3  55  27 o 62.665  4.1071  2184.58    277.214  2289.41    515.644  2141.97    328.765  62.080  7.8438  61.674  4.9637  0.4060555      9.282415  
1 1 1 -3  55  28 o 21.896  7.6818  273.039    225.334  475.038    431.686  197.388    264.181  27.968  10.508  20.717  8.1075  7.251205       13.27221  
1 1 1 -3  55  29 o 35.366  2.3603  689.061    89.892   647.360    94.907   1052.59    280.219  34.218  2.5798  41.804  6.3919  -7.586224      6.892885  
1 1 1 -3  55  30 f 25.431  9.3012  418.385    334.148  0.0000     0.0000   418.385    334.148  ?       ?       25.431  9.3012  0.000000       9.301179  
1 1 1 -3  55  31 o 32.633  9.8772  788.066    379.024  0.0000     0.0000   788.066    379.024  ?       ?       32.633  9.8772  0.000000       9.877240  
1 1 1 -3  55  32 o 26.093  9.5100  489.476    348.884  0.0000     0.0000   489.476    348.884  ?       ?       26.093  9.5100  0.000000       9.510007  
1 1 1 -3  56  1  o 23.445  5.8216  310.038    147.150  255.860    257.117  336.427    179.443  23.252  8.2016  24.489  6.6111  -1.237165      10.53436  
1 1 1 -3  56  2  o 273.421 6.9412  40596.39   2055.60  40164.57   2907.80  41027.78   2906.31  271.583 9.8853  274.503 9.7752  -2.919617      13.90230  
1 1 1 -3  56  3  f 237.270 5.0541  30532.29   1298.84  30697.85   1590.58  30200.97   2250.12  237.827 6.1748  235.627 8.8168  2.199081       10.76403  
1 1 1 -3  56  4  o 342.623 5.8919  63702.24   2186.46  64088.18   3093.61  63317.05   3090.65  343.314 8.3196  341.235 8.3623  2.078766       11.79593  
1 1 1 -3  56  5  o 388.920 6.5863  82127.52   2774.43  83758.34   3924.99  80498.96   3922.28  392.271 9.2381  384.525 9.4177  7.746521       13.19223  
1 1 1 -3  56  6  o 524.631 8.7088  149754.50  4948.61  157545.00  6999.40  141968.50  6997.39  536.965 12.035  509.480 12.681  27.48462       17.48247  
1 1 1 -3  56  7  o 316.260 5.5371  54272.96   1896.71  56028.49   2684.18  52522.22   2680.52  321.037 7.7194  310.792 7.9630  10.24551       11.09053  
1 1 1 -3  56  8  o 141.363 4.5359  10836.98   694.491  10138.55   985.083  11527.19   979.260  136.624 6.6570  145.708 6.2050  -9.084457      9.100415  
1 1 1 -3  56  9  o 127.478 4.3443  8812.35    599.825  8649.61    853.733  8970.99    842.933  126.206 6.2456  128.540 6.0546  -2.333893      8.698580  
1 1 1 -3  56  10 o 192.573 7.5979  20171.58   1584.75  0.0000     0.0000   20171.58   1584.75  ?       ?       192.573 7.5979  0.000000       7.597935  
1 1 1 -3  56  11 o 114.208 4.3892  7075.07    542.942  7706.29    775.104  6466.98    760.768  118.956 6.0357  108.895 6.4795  10.06128       8.855124  
1 1 1 -3  56  12 o 218.341 5.8945  25898.25   1393.97  26490.54   1975.52  25310.92   1967.25  220.490 8.2722  215.499 8.4284  4.990295       11.80963  
1 1 1 -3  56  13 o 348.530 8.5122  66279.51   3213.33  69398.33   4552.62  63183.29   4536.09  355.403 11.827  338.893 12.358  16.51028       17.10544  
1 1 1 -3  56  14 o 143.125 3.8213  11113.08   592.374  11532.69   732.203  10318.08   1007.84  145.741 4.6385  137.653 6.7598  8.088074       8.198220  
1 1 1 -3  56  15 o 157.266 3.4532  13417.26   588.195  13390.49   839.157  13443.12   824.699  156.966 4.9359  157.285 4.8410  -0.3187714     6.913662  
1 1 1 -3  56  16 o 161.196 3.4684  14102.82   605.550  13883.14   864.032  14314.89   848.922  159.746 4.9938  162.235 4.8312  -2.488663      6.948251  
1 1 1 -3  56  17 o 62.523  3.4722  2129.37    234.211  2113.35    349.592  2142.42    315.477  62.055  5.2506  62.566  4.6895  -0.5109253     7.039906  
1 1 1 -3  56  18 o 86.330  2.9707  4046.44    277.769  3837.46    400.656  4239.85    385.436  83.825  4.4286  88.274  4.0313  -4.448860      5.988708  
1 1 1 -3  56  19 o 39.240  1.8369  834.874    78.069   801.266    296.191  837.383    80.931   37.446  7.5633  39.297  1.9014  -1.851219      7.798638  
1 1 1 -3  56  20 o 86.678  2.9674  4083.51    278.583  4234.85    534.828  4027.16    326.352  87.674  5.6624  86.016  3.5030  1.658401       6.658330  
1 1 1 -3  56  21 o 100.650 2.9261  5509.42    318.991  5769.74    564.713  5387.43    386.572  102.564 5.0835  99.423  3.5898  3.140465       6.223252  
1 1 1 -3  56  22 o 96.893  3.1428  5113.31    329.819  5008.46    658.533  5148.42    381.055  94.831  6.4498  97.135  3.6219  -2.304344      7.397206  
1 1 1 -3  56  23 o 78.713  2.6846  3371.98    228.876  3718.28    555.307  3301.11    251.206  81.516  6.3394  77.837  2.9797  3.678696       7.004775  
1 1 1 -3  56  24 o 82.019  3.3549  3676.82    298.033  3588.86    586.564  3707.43    346.027  79.616  6.8694  82.232  3.8851  -2.615662      7.891932  
1 1 1 -3  56  25 o 54.442  4.0557  1639.40    237.435  1665.18    474.552  1630.79    274.227  53.067  8.5465  54.097  4.7278  -1.029224      9.767046  
1 1 1 -3  56  26 o 52.257  2.5416  1489.65    143.855  1890.24    483.466  1450.73    150.680  56.572  8.1234  51.475  2.7122  5.097065       8.564187  
1 1 1 -3  56  27 o 24.893  1.2263  336.317    33.061   211.062    45.560   475.649    48.052   19.553  2.1888  29.549  1.5064  -9.995480      2.657112  
1 1 1 -3  56  28 o 29.504  7.3102  541.769    232.411  462.537    445.634  571.371    272.388  27.644  10.608  29.929  8.1727  -2.284166      13.39140  
1 1 1 -3  56  29 o 18.195  7.8076  61.084     275.957  0.0000     0.0000   61.084     275.957  ?       ?       18.195  7.8076  0.000000       7.807622  
1 1 1 -3  56  30 o 42.465  8.7182  1205.93    387.555  0.0000     0.0000   1205.93    387.555  ?       ?       42.465  8.7182  0.000000       8.718231  
1 1 1 -3  56  31 o 15.615  7.3626  -213.8040  323.694  0.0000     0.0000   -213.8040  323.694  ?       ?       15.615  7.3626  0.000000       7.362590  
1 1 1 -3  56  32 o 34.969  9.2686  885.382    356.709  0.0000     0.0000   885.382    356.709  ?       ?       34.969  9.2686  0.000000       9.268551  
1 1 1 -3  57  1  o 151.963 3.7372  12516.01   615.113  12562.57   1070.33  12493.05   751.632  152.121 6.4962  151.793 4.5718  0.3280029      7.943661  
1 1 1 -3  57  2  o 164.933 4.8481  14752.04   866.065  15196.17   1226.74  14310.71   1222.87  167.289 6.7704  162.330 6.9553  4.959000       9.706388  
1 1 1 -3  57  3  o 246.216 5.2010  32882.50   1387.00  33130.15   1698.66  32387.07   2402.52  247.045 6.3484  243.954 9.0926  3.090546       11.08952  
1 1 1 -3  57  4  o 192.066 3.7303  19994.21   776.007  20204.38   1098.67  19784.97   1096.22  192.993 5.2560  190.977 5.2996  2.016296       7.464001  
1 1 1 -3  57  5  o 237.110 4.3655  30482.49   1121.12  30724.44   1586.89  30241.39   1584.12  237.910 6.1583  236.029 6.1966  1.881042       8.736301  
1 1 1 -3  57  6  o 80.014  2.9739  3469.13    257.734  3175.73    368.263  3750.81    360.832  76.399  4.4699  83.180  4.0051  -6.781685      6.001748  
1 1 1 -3  57  7  o 170.201 4.9669  15713.33   915.631  15830.17   1299.19  15598.02   1290.65  170.694 7.0272  169.437 7.0328  1.256699       9.941965  
1 1 1 -3  57  8  o 39.276  6.1126  857.359    251.574  591.197    398.005  1034.46    324.656  32.954  10.151  43.050  7.2182  -10.09590      12.45537  
1 1 1 -3  57  9  o 130.097 4.3752  9178.81    616.506  9418.38    878.313  8946.14    865.570  131.692 6.1577  128.344 6.2267  3.348007       8.757195  
1 1 1 -3  57  10 o 379.115 6.4635  78096.91   2654.04  77322.88   3752.93  78871.33   3753.84  376.587 9.2010  380.364 9.1119  -3.776733      12.94929  
1 1 1 -3  57  11 f 65.569  3.3457  2336.58    236.813  2233.97    346.100  2426.90    324.730  63.960  5.0368  66.732  4.5195  -2.771950      6.767164  
1 1 1 -3  57  12 o 232.749 6.1897  29445.61   1560.37  29845.99   2218.76  29053.81   2194.83  233.895 8.7583  230.766 8.7813  3.129410       12.40237  
1 1 1 -3  57  13 o 226.300 6.0606  27846.23   1485.49  28154.17   2107.11  27541.96   2094.56  227.091 8.5668  224.600 8.6102  2.491806       12.14599  
1 1 1 -3  57  14 o 68.699  5.1030  2578.56    376.995  2835.60    616.404  2424.95    476.506  71.611  8.0890  66.387  6.7195  5.224251       10.51588  
1 1 1 -3  57  15 o 64.349  4.9820  2264.69    344.518  2141.79    513.292  2365.44    464.760  62.113  7.8019  65.530  6.6398  -3.417126      10.24483  
1 1 1 -3  57  16 o 105.271 3.0563  6012.70    348.474  5718.28    496.232  6299.16    489.471  102.552 4.4675  107.660 4.1976  -5.107956      6.130155  
1 1 1 -3  57  17 o 198.004 3.8989  21313.11   836.149  21243.06   1186.32  21382.25   1178.70  197.293 5.5516  197.953 5.4976  -0.6600494     7.813068  
1 1 1 -3  57  18 o 32.525  5.4237  593.289    184.337  460.059    278.281  697.457    246.065  28.582  8.4199  35.073  6.7221  -6.491508      10.77409  
1 1 1 -3  57  19 o 105.891 2.9218  6091.69    335.097  5407.82    652.604  6336.56    390.509  99.059  6.1124  107.945 3.3401  -8.886497      6.965494  
1 1 1 -3  57  20 o 35.893  4.6586  715.695    176.837  1144.11    440.511  633.393    193.077  44.331  9.4625  33.559  5.5028  10.77211       10.94624  
1 1 1 -3  57  21 o 63.418  3.4586  2198.03    236.668  2488.37    501.526  2114.85    268.436  66.581  7.0624  62.105  4.0121  4.476204       8.122504  
1 1 1 -3  57  22 o 61.426  3.5005  2064.96    231.925  1952.00    478.323  2099.68    265.183  58.543  7.7328  61.848  3.9798  -3.305340      8.696842  
1 1 1 -3  57  23 o 41.358  1.9371  928.784    86.770   943.091    93.926   845.483    226.645  41.666  2.0813  38.717  5.5646  2.949039       5.941123  
1 1 1 -3  57  24 o 109.993 3.1066  6605.54    370.099  6223.88    762.528  6723.15    423.302  105.008 6.7401  110.838 3.5261  -5.829865      7.606679  
1 1 1 -3  57  25 o 36.539  5.4935  759.586    210.677  504.447    433.132  838.656    241.123  29.993  10.638  38.257  6.0178  -8.263826      12.22211  
1 1 1 -3  57  26 o 64.657  3.8439  2311.40    267.978  1667.45    520.801  2543.28    312.525  52.132  9.5765  67.667  4.2863  -15.53561      10.49197  
1 1 1 -3  57  27 o 51.378  4.5912  1488.38    252.801  1305.49    487.123  1555.80    295.745  44.775  10.264  52.199  5.3047  -7.424900      11.55375  
1 1 1 -3  57  28 o 17.381  7.2344  82.054     225.366  299.427    428.551  -1.0397    264.962  24.805  10.114  17.055  7.4804  7.750849       12.57935  
1 1 1 -3  57  29 o 23.921  8.4504  351.926    273.051  0.0000     0.0000   351.926    273.051  ?       ?       23.921  8.4504  0.000000       8.450412  
1 1 1 -3  57  30 o 18.476  8.1744  24.998     322.896  0.0000     0.0000   24.998     322.896  ?       ?       18.476  8.1744  0.000000       8.174390  
1 1 1 -3  57  31 o 28.722  9.4680  600.486    341.658  0.0000     0.0000   600.486    341.658  ?       ?       28.722  9.4680  0.000000       9.467968  
1 1 1 -3  58  1  o 70.840  4.0469  2729.19    309.218  2341.06    432.897  3133.53    441.841  65.384  6.1864  75.808  5.4169  -10.42462      8.222761  
1 1 1 -3  58  2  o 71.954  3.1994  2805.54    249.339  2853.60    306.173  2710.90    429.643  72.451  3.9162  70.456  5.6783  1.994652       6.897849  
1 1 1 -3  58  3  o 225.554 4.1895  27580.70   1023.48  28321.45   1449.04  26843.27   1445.80  228.446 5.8563  222.393 6.0023  6.053238       8.385930  
1 1 1 -3  58  4  o 87.002  2.7648  4101.12    260.530  3953.43    373.422  4241.19    363.661  85.398  4.0372  88.456  3.7957  -3.058601      5.541373  
1 1 1 -3  58  5  o 167.947 3.4700  15286.80   631.211  15323.32   894.732  15250.61   890.618  168.083 4.9147  167.684 4.9038  0.3986359      6.942724  
1 1 1 -3  58  6  o 217.534 5.8673  25684.54   1382.40  24104.00   1959.10  27251.94   1950.94  210.465 8.5942  223.853 8.0466  -13.38785      11.77320  
1 1 1 -3  58  7  o 373.544 9.0854  75991.91   3675.85  76243.84   5200.90  75740.46   5195.97  373.112 12.870  371.868 12.901  1.243683       18.22235  
1 1 1 -3  58  8  o 207.816 5.6499  23442.22   1271.71  23410.97   1801.42  23473.28   1795.54  207.436 8.0179  207.716 7.9810  -0.2802734     11.31296  
1 1 1 -3  58  9  o 266.792 5.1685  38626.43   1493.50  38226.89   1972.94  39162.65   2285.64  265.199 6.8687  268.273 7.8661  -3.074127      10.44291  
1 1 1 -3  58  10 o 474.817 7.9727  122742.70  4100.17  125664.90  5798.51  119820.40  5798.53  479.217 11.172  467.822 11.444  11.39563       15.99258  
1 1 1 -3  58  11 o 362.470 6.2202  71400.44   2442.01  74435.98   3454.03  68366.65   3453.03  369.499 8.6306  354.009 9.0057  15.48944       12.47355  
1 1 1 -3  58  12 o 308.066 5.7512  51571.42   1919.00  52169.11   2527.48  50757.89   2948.72  309.467 7.5406  304.895 8.9292  4.572388       11.68721  
1 1 1 -3  58  13 o 159.821 4.9165  13872.57   851.052  15058.87   1231.05  12786.58   1177.85  166.292 6.8349  153.200 7.0984  13.09230       9.854132  
1 1 1 -3  58  14 o 116.348 4.4497  7351.63    560.740  7844.66    815.628  6909.75    772.167  119.854 6.3052  112.455 6.3657  7.398148       8.959810  
1 1 1 -3  58  15 o 98.287  4.5568  5250.81    485.095  5293.54    734.024  5217.67    646.361  98.210  6.9453  97.642  6.1431  0.5684128      9.272292  
1 1 1 -3  58  16 o 17.368  7.5688  -48.3558   267.391  6.7497     483.690  -72.6076   320.880  24.365  10.393  18.800  8.2392  5.565041       13.26243  
1 1 1 -3  58  17 o 71.571  5.0469  2806.82    388.723  3022.59    649.017  2686.11    485.422  73.586  8.2874  69.735  6.5018  3.850258       10.53351  
1 1 1 -3  58  18 o 46.041  3.9986  1162.62    197.417  1206.58    290.160  1124.75    269.376  46.578  5.8827  44.993  5.6525  1.585567       8.158217  
1 1 1 -3  58  19 o 119.340 3.5683  7751.18    461.238  7797.08    791.804  7727.60    567.454  118.958 6.1666  119.005 4.4024  -0.4720306E-01 7.576853  
1 1 1 -3  58  20 o 41.432  4.2759  947.109    189.126  1028.26    446.512  929.366    208.779  41.837  9.9913  40.940  4.7994  0.8967896      11.08424  
1 1 1 -3  58  21 o 75.159  3.3110  3077.20    269.535  3486.39    569.025  2958.83    306.047  79.020  6.7121  73.524  3.8566  5.495796       7.741147  
1 1 1 -3  58  22 o 15.631  6.6538  7.6188     197.532  -349.0522  397.980  124.206    227.537  17.824  8.3276  19.070  7.5056  -1.245211      11.21083  
1 1 1 -3  58  23 o 49.945  4.1426  1377.30    222.070  1409.30    449.902  1366.99    255.344  48.980  8.8043  49.591  4.8146  -0.6105232     10.03475  
1 1 1 -3  58  24 o 46.349  4.6457  1196.67    230.079  827.613    449.983  1327.31    267.721  36.746  10.673  48.686  5.1555  -11.93922      11.85320  
1 1 1 -3  58  25 o 53.727  4.2119  1600.48    243.135  2039.01    480.267  1449.36    281.932  59.222  7.6673  50.800  5.1972  8.422100       9.262744  
1 1 1 -3  58  26 o 37.433  2.0830  765.291    84.117   1256.45    447.232  747.279    85.645   45.050  9.4666  36.979  2.1476  8.070953       9.707153  
1 1 1 -3  58  27 o 33.549  6.4662  671.278    226.439  104.410    452.791  860.333    261.487  23.023  9.9412  38.026  6.5875  -15.00303      11.92575  
1 1 1 -3  58  28 o 59.186  4.5756  1993.05    291.041  2043.18    528.670  1971.25    348.625  56.378  8.9574  58.176  5.6020  -1.798313      10.56494  
1 1 1 -3  58  29 o 35.067  8.9706  826.132    342.092  0.0000     0.0000   826.132    342.092  ?       ?       35.067  8.9706  0.000000       8.970567  
1 1 1 -3  58  30 o 18.916  8.2803  60.003     323.250  0.0000     0.0000   60.003     323.250  ?       ?       18.916  8.2803  0.000000       8.280308  
1 1 1 -3  58  31 o 39.212  8.6486  1056.29    357.446  0.0000     0.0000   1056.29    357.446  ?       ?       39.212  8.6486  0.000000       8.648631  
1 1 1 -3  59  1  o 209.701 4.6292  23845.87   1051.42  23685.14   1286.74  24168.80   1823.88  208.923 5.6864  210.842 7.9867  -1.918900      9.804222  
1 1 1 -3  59  2  o 314.757 5.4854  53752.74   1870.05  56344.89   2646.51  51167.88   2642.79  321.984 7.5887  306.782 7.9536  15.20209       10.99312  
1 1 1 -3  59  3  o 91.038  2.8466  4490.64    280.686  4263.24    402.166  4706.63    391.933  88.677  4.1872  93.181  3.8834  -4.504448      5.710818  
1 1 1 -3  59  4  o 391.926 6.6847  83423.04   2837.64  83061.44   4014.03  83784.28   4012.02  390.512 9.4902  392.219 9.4442  -1.706390      13.38868  
1 1 1 -3  59  5  o 218.113 5.7670  25819.14   1362.38  27229.19   1938.91  24444.07   1914.71  223.766 8.0001  211.975 8.3397  11.79068       11.55646  
1 1 1 -3  59  6  o 228.247 6.0121  28282.40   1486.27  29073.26   2106.99  27499.12   2096.86  231.144 8.4161  224.774 8.6130  6.370087       12.04215  
1 1 1 -3  59  7  o 202.941 5.5984  22353.78   1230.56  21964.73   1750.79  22733.62   1729.94  200.929 8.0449  204.442 7.8125  -3.513351      11.21408  
1 1 1 -3  59  8  o 139.576 3.2112  10558.55   485.451  10595.12   687.458  10522.17   685.609  139.763 4.5413  139.281 4.5448  0.4821167      6.424855  
1 1 1 -3  59  9  o 147.249 3.3179  11752.70   529.153  11564.27   751.203  11938.29   745.500  145.995 4.7506  148.344 4.6399  -2.348419      6.640532  
1 1 1 -3  59  10 o 108.640 3.0350  6396.81    357.125  6422.27    509.408  6372.21    500.805  108.811 4.3224  108.388 4.2660  0.4225769      6.073009  
1 1 1 -3  59  11 o 76.278  3.1562  3153.99    260.757  3611.05    379.399  2744.79    358.981  81.470  4.3150  70.961  4.6972  10.50853       6.378328  
1 1 1 -3  59  12 f 199.774 3.9082  21649.58   845.648  21441.77   1203.48  21852.26   1188.52  198.637 5.5938  200.545 5.4717  -1.907288      7.824981  
1 1 1 -3  59  13 o 131.420 3.1814  9365.52    452.842  9448.66    643.736  9284.08    637.146  131.915 4.5055  130.762 4.4987  1.153397       6.366938  
1 1 1 -3  59  14 o 142.744 3.3150  11053.58   512.520  11373.93   735.334  10750.92   714.731  144.673 4.6927  140.655 4.6916  4.017929       6.635706  
1 1 1 -3  59  15 o 172.757 5.1105  16244.16   956.237  16560.48   1362.16  15936.80   1342.70  173.995 7.2281  170.678 7.2632  3.316177       10.24693  
1 1 1 -3  59  16 o 43.794  6.3091  1069.44    290.629  1129.39    447.993  1025.88    381.896  44.361  9.6024  42.414  8.6072  1.946945       12.89534  
1 1 1 -3  59  17 o 163.260 5.0974  14545.41   901.360  15047.54   1302.95  14084.56   1248.24  165.402 7.2730  160.047 7.2008  5.355682       10.23468  
1 1 1 -3  59  18 o 78.109  4.8728  3344.24    410.187  3648.42    685.544  3174.62    511.937  80.826  7.9331  75.787  6.2936  5.039085       10.12639  
1 1 1 -3  59  19 o 125.855 6.5225  8748.00    886.061  0.0000     0.0000   8748.00    886.061  ?       ?       125.855 6.5225  0.000000       6.522499  
1 1 1 -3  59  20 o 112.264 3.1378  6857.73    381.539  6934.41    784.108  6833.94    436.728  111.844 6.5009  111.985 3.6007  -0.1410217     7.431425  
1 1 1 -3  59  21 f 85.219  3.1657  3954.86    292.197  3757.59    617.339  4011.82    331.705  81.902  7.0272  85.766  3.5708  -3.863083      7.882414  
1 1 1 -3  59  22 f 108.632 3.1399  6432.25    369.440  7423.40    767.081  6132.91    421.552  115.498 6.1541  105.948 3.6736  9.549500       7.167169  
1 1 1 -3  59  23 o 12.289  5.7266  -165.1771  186.251  106.017    405.800  -237.5518  209.636  23.164  9.6800  12.397  5.8695  10.76679       11.32053  
1 1 1 -3  59  24 o 18.173  1.6589  180.786    32.293   183.002    396.773  180.771    32.401   23.973  9.7479  18.171  1.6647  5.801714       9.889032  
1 1 1 -3  59  25 o 48.701  4.3721  1319.96    228.164  975.165    466.607  1428.31    261.569  39.434  10.667  50.527  4.8388  -11.09240      11.71310  
1 1 1 -3  59  26 o 47.525  4.5133  1266.85    229.534  593.481    473.773  1473.38    262.384  31.315  11.124  51.175  4.7895  -19.86085      12.11103  
1 1 1 -3  59  27 o 58.655  4.0536  1928.49    255.943  1348.66    519.993  2113.88    294.026  44.505  10.879  61.203  4.4663  -16.69847      11.76014  
1 1 1 -3  59  28 o 68.400  3.8701  2624.90    285.533  2340.86    564.055  2722.76    331.088  60.374  8.8922  69.294  4.4347  -8.920120      9.936653  
1 1 1 -3  59  29 o 55.451  6.4229  1856.30    378.612  0.0000     0.0000   1856.30    378.612  ?       ?       55.451  6.4229  0.000000       6.422892  
1 1 1 -3  59  30 o 16.995  7.8992  -152.8429  350.777  0.0000     0.0000   -152.8429  350.777  ?       ?       16.995  7.8992  0.000000       7.899225  
1 1 1 -3  59  31 o 25.293  9.3404  439.062    338.197  0.0000     0.0000   439.062    338.197  ?       ?       25.293  9.3404  0.000000       9.340392  
1 1 1 -3  60  1  o 117.409 3.3426  7470.54    425.063  6985.78    517.696  8473.48    744.639  113.513 4.2108  124.967 5.5015  -11.45444      6.927979  
1 1 1 -3  60  2  o 114.952 2.9393  7159.98    365.955  7135.35    518.523  7184.43    516.559  114.722 4.1730  115.117 4.1430  -0.3947906     5.880323  
1 1 1 -3  60  3  o 271.006 4.8688  39834.66   1429.14  40253.95   2023.00  39416.91   2019.24  272.225 6.8612  269.372 6.9209  2.852295       9.745494  
1 1 1 -3  60  4  o 154.264 4.6589  12905.99   778.430  12995.60   1108.74  12818.88   1093.16  154.686 6.6177  153.634 6.5694  1.052094       9.324772  
1 1 1 -3  60  5  o 433.374 10.455  102468.70  4907.66  100096.90  6943.44  104836.60  6937.53  426.650 15.026  436.792 14.664  -10.14175      20.99548  
1 1 1 -3  60  6  o 298.237 7.5308  48362.69   2432.59  46852.24   3447.14  49861.05   3433.31  292.906 10.866  302.251 10.488  -9.344849      15.10145  
1 1 1 -3  60  7  o 225.469 4.2470  27567.63   1037.15  27629.12   1468.13  27506.38   1465.37  225.567 6.0092  225.065 6.0113  0.5018311      8.499804  
1 1 1 -3  60  8  o 307.825 5.4195  51436.27   1806.89  52001.14   2556.92  50872.79   2553.75  309.153 7.6361  305.767 7.7111  3.386536       10.85227  
1 1 1 -3  60  9  o 146.253 3.2691  11594.29   517.851  11138.46   736.406  12040.22   728.363  143.278 4.7453  148.979 4.5139  -5.700409      6.549322  
1 1 1 -3  60  10 o 153.182 3.4675  12721.64   575.306  12662.07   790.395  12788.77   838.989  152.746 4.7775  153.489 5.0467  -0.7433624     6.949391  
1 1 1 -3  60  11 o 299.114 5.2584  48591.73   1703.58  48690.17   2410.18  48493.45   2408.27  298.986 7.4427  298.380 7.4519  0.6067505      10.53203  
1 1 1 -3  60  12 o 189.509 3.8068  19482.83   781.370  19754.42   1106.69  19212.88   1103.36  190.663 5.3591  188.024 5.4179  2.638687       7.620621  
1 1 1 -3  60  13 f 16.128  6.4550  68.008     170.986  -92.7281   256.345  196.839    229.498  16.338  7.2532  21.115  7.7105  -4.777449      10.58586  
1 1 1 -3  60  14 o 105.577 3.0458  6046.17    348.296  6548.62    498.238  5565.97    487.082  109.798 4.1896  101.206 4.4435  8.591675       6.107147  
1 1 1 -3  60  15 o 86.949  3.1059  4102.52    292.501  3948.53    426.469  4239.31    401.939  85.070  4.6461  88.313  4.2021  -3.242599      6.264484  
1 1 1 -3  60  16 f 208.372 4.6812  23647.69   1056.50  24062.62   1856.80  23449.04   1284.74  208.968 8.2038  207.204 5.7246  1.764053       10.00371  
1 1 1 -3  60  17 o 30.897  8.1782  546.648    277.966  259.379    460.748  711.033    348.538  27.249  10.695  35.127  9.0908  -7.878813      14.03624  
1 1 1 -3  60  18 o 137.923 4.7456  10387.71   708.913  9896.87    1030.83  10828.16   976.482  133.747 7.1418  140.333 6.4244  -6.586517      9.606167  
1 1 1 -3  60  19 o 37.975  8.8126  837.483    355.474  0.0000     0.0000   837.483    355.474  ?       ?       37.975  8.8126  0.000000       8.812617  
1 1 1 -3  60  20 o 68.203  4.3890  2553.91    322.496  0.0000     0.0000   2553.91    322.496  ?       ?       68.203  4.3890  0.000000       4.388996  
1 1 1 -3  60  21 o 106.110 3.5728  6142.73    410.612  0.0000     0.0000   6142.73    410.612  ?       ?       106.110 3.5728  0.000000       3.572762  
1 1 1 -3  60  22 o 73.613  3.3067  2956.65    263.647  2799.44    570.464  2999.35    297.303  70.146  7.6317  73.979  3.7223  -3.833000      8.491094  
1 1 1 -3  60  23 o 146.642 3.3970  11754.11   539.537  11461.09   1092.58  11848.61   620.468  142.622 7.0729  147.016 3.8966  -4.394424      8.075224  
1 1 1 -3  60  24 o 32.600  6.3224  615.568    215.186  612.422    469.364  616.406    242.132  32.381  11.102  32.399  7.0964  -0.1845932E-01 13.17625  
1 1 1 -3  60  25 o 48.383  2.0915  1273.85    109.600  757.630    460.410  1304.86    112.844  34.863  10.947  48.964  2.1278  -14.10086      11.15188  
1 1 1 -3  60  26 o 57.123  2.7210  1786.25    168.349  1523.62    207.753  2288.50    287.299  52.402  3.6838  64.074  4.1624  -11.67174      5.558395  
1 1 1 -3  60  27 o 57.248  4.1765  1844.99    257.177  1439.14    512.007  1981.94    297.419  46.130  10.485  59.059  4.6882  -12.92896      11.48572  
1 1 1 -3  60  28 o 50.681  4.6299  1468.54    251.341  1842.13    507.216  1346.95    289.366  53.156  9.1394  47.890  5.6900  5.265339       10.76591  
1 1 1 -3  60  29 o 17.326  7.7904  -41.2206   305.785  0.0000     0.0000   -41.2206   305.785  ?       ?       17.326  7.7904  0.000000       7.790381  
1 1 1 -3  60  30 o 38.375  8.8017  1008.30    358.048  0.0000     0.0000   1008.30    358.048  ?       ?       38.375  8.8017  0.000000       8.801664  
1 1 1 -3  60  31 o 14.929  7.1130  -270.7271  317.681  0.0000     0.0000   -270.7271  317.681  ?       ?       14.929  7.1130  0.000000       7.112996  
1 1 1 -3  61  1  o 146.924 3.2132  11698.25   511.324  11990.20   723.938  11407.61   722.308  148.698 4.4950  145.036 4.5981  3.661911       6.430164  
1 1 1 -3  61  2  o 147.594 3.2524  11805.44   519.926  11626.00   735.554  11984.61   735.019  146.415 4.6383  148.659 4.5650  -2.244278      6.507889  
1 1 1 -3  61  3  o 279.167 7.0760  42347.61   2139.56  42070.18   3032.53  42622.60   3019.09  277.771 10.080  279.609 9.9691  -1.838531      14.17688  
1 1 1 -3  61  4  o 154.224 4.7133  12900.55   787.317  12728.64   1129.05  13063.27   1098.45  153.065 6.8103  155.083 6.5395  -2.018250      9.441689  
1 1 1 -3  61  5  o 154.165 4.7559  12891.79   794.131  12364.85   1125.07  13415.00   1121.08  150.847 6.8861  157.145 6.5867  -6.297867      9.529034  
1 1 1 -3  61  6  o 157.689 3.3953  13477.78   579.892  13850.16   825.582  13115.15   814.708  159.786 4.7704  155.484 4.8378  4.301331       6.794154  
1 1 1 -3  61  7  o 175.895 3.6066  16772.47   687.110  17039.01   971.683  16505.88   971.756  177.199 5.0628  174.399 5.1445  2.799942       7.217894  
1 1 1 -3  61  8  o 83.397  2.9583  3769.27    267.219  3824.31    380.638  3715.78    375.231  83.973  4.1850  82.666  4.2047  1.307243       5.932459  
1 1 1 -3  61  9  o 253.049 4.8446  34751.00   1327.81  35764.78   1758.66  33406.91   2025.00  256.522 6.3297  247.734 7.5469  8.787857       9.849931  
1 1 1 -3  61  10 o 28.802  5.5772  465.970    167.699  474.839    236.436  456.991    237.894  28.989  7.4803  28.472  7.5799  0.5163746      10.64938  
1 1 1 -3  61  11 f 22.351  2.0856  273.022    49.906   819.904    239.509  248.200    51.026   38.387  5.9535  21.284  2.2475  17.10284       6.363556  
1 1 1 -3  61  12 f 118.087 3.1381  7561.45    401.360  7726.22    577.313  7407.31    558.378  119.288 4.4683  116.804 4.4137  2.484146       6.280663  
1 1 1 -3  61  13 o 108.087 3.0515  6336.12    357.233  6028.74    508.883  6634.76    501.602  105.346 4.4600  110.534 4.1898  -5.188194      6.119287  
1 1 1 -3  61  14 o 275.159 4.9471  41192.99   1474.38  40407.21   2088.76  41973.26   2081.43  271.858 7.0938  277.134 6.9343  -5.276459      9.919950  
1 1 1 -3  61  15 o 136.286 3.3109  10084.28   488.723  10168.13   679.151  9994.22    703.825  136.692 4.5873  135.488 4.7962  1.204666       6.636731  
1 1 1 -3  61  16 o 85.376  2.7625  3955.95    255.452  3512.92    404.172  4250.65    329.641  80.158  4.6756  88.446  3.4411  -8.288116      5.805362  
1 1 1 -3  61  17 o 172.704 3.7520  16228.93   701.831  16540.46   957.309  15866.92   1031.97  174.014 5.0792  170.279 5.5955  3.735565       7.556966  
1 1 1 -3  61  18 o 107.072 4.6687  6260.64    541.431  6089.23    839.801  6382.56    708.287  104.676 7.4560  107.628 6.1010  -2.951973      9.634015  
1 1 1 -3  61  19 o 151.335 6.9430  12672.48   1138.04  0.0000     0.0000   12672.48   1138.04  ?       ?       151.335 6.9430  0.000000       6.942998  
1 1 1 -3  61  20 f 21.190  7.5216  219.733    216.574  0.0000     0.0000   219.733    216.574  ?       ?       21.190  7.5216  0.000000       7.521563  
1 1 1 -3  61  21 o 38.982  6.0680  859.840    247.864  0.0000     0.0000   859.840    247.864  ?       ?       38.982  6.0680  0.000000       6.067997  
1 1 1 -3  61  22 o 71.344  4.4144  2805.45    339.440  0.0000     0.0000   2805.45    339.440  ?       ?       71.344  4.4144  0.000000       4.414424  
1 1 1 -3  61  23 o 63.181  4.3683  2206.44    297.096  0.0000     0.0000   2206.44    297.096  ?       ?       63.181  4.3683  0.000000       4.368306  
1 1 1 -3  61  24 o 60.225  3.9152  2001.28    254.001  1846.05    540.345  2045.31    287.778  55.538  9.3125  60.739  4.4043  -5.201492      10.30150  
1 1 1 -3  61  25 o 59.711  3.9407  1974.07    253.425  1812.23    543.743  2018.98    286.438  54.431  9.5726  60.220  4.4225  -5.789238      10.54480  
1 1 1 -3  61  26 o 28.503  7.0536  491.786    216.573  -67.8537   484.314  631.666    242.131  21.868  9.8207  32.342  7.1063  -10.47341      12.12209  
1 1 1 -3  61  27 o ?       ?       -380.7849  36.305   -575.5890  472.632  -379.6286  36.413   17.131  8.2928  ?       ?       0.000000       8.292794  
1 1 1 -3  61  28 o 51.382  2.4148  1449.15    134.390  0.0000     0.0000   1449.15    134.390  ?       ?       51.382  2.4148  0.000000       2.414838  
1 1 1 -3  61  29 o 12.562  6.1464  -447.9424  279.474  0.0000     0.0000   -447.9424  279.474  ?       ?       12.562  6.1464  0.000000       6.146428  
1 1 1 -3  61  30 o 32.308  9.2124  741.336    338.110  0.0000     0.0000   741.336    338.110  ?       ?       32.308  9.2124  0.000000       9.212375  
1 1 1 -3  62  1  o 290.502 5.1536  45785.73   1621.53  45680.31   2294.19  45890.98   2292.20  289.900 7.3065  290.571 7.2833  -0.6710815     10.31658  
1 1 1 -3  62  2  o 184.240 5.1946  18417.16   1036.59  18883.31   1464.97  17949.74   1466.95  186.391 7.2566  181.707 7.4537  4.684113       10.40269  
1 1 1 -3  62  3  o 18.422  7.0636  122.909    197.484  7.9032     323.212  191.421    249.466  20.156  8.5430  21.521  8.0073  -1.364979      11.70896  
1 1 1 -3  62  4  f 149.040 4.5865  12047.85   740.380  12107.36   1056.29  11990.37   1038.06  149.290 6.5325  148.573 6.4508  0.7172699      9.180771  
1 1 1 -3  62  5  o 115.857 3.0146  7274.13    378.288  7369.98    533.735  7177.39    536.234  116.579 4.2270  115.043 4.3035  1.536118       6.032275  
1 1 1 -3  62  6  o 58.378  3.3788  1853.46    212.726  1703.08    307.756  1991.04    294.371  55.784  5.1518  60.416  4.5315  -4.632175      6.861195  
1 1 1 -3  62  7  o 89.601  2.9718  4350.90    288.406  4584.80    420.575  4143.27    396.246  91.944  4.2233  87.406  4.1856  4.538155       5.946014  
1 1 1 -3  62  8  o 85.554  3.0067  3967.02    278.613  4094.15    404.084  3851.80    384.670  86.878  4.2943  84.163  4.2333  2.714340       6.030107  
1 1 1 -3  62  9  o 256.925 4.6664  35823.91   1298.56  37238.15   1838.84  34417.02   1834.05  261.690 6.4876  251.542 6.7318  10.14723       9.349131  
1 1 1 -3  62  10 o 224.376 4.2167  27316.26   1024.75  26868.44   1450.50  27762.49   1447.94  222.308 6.0241  225.992 5.9154  -3.684097      8.442890  
1 1 1 -3  62  11 f 216.038 4.1416  25328.91   969.101  24890.78   1372.15  25764.97   1368.89  213.926 5.9220  217.669 5.8063  -3.742340      8.293568  
1 1 1 -3  62  12 o 268.195 4.8370  39084.43   1405.08  39651.11   1988.09  38518.89   1986.08  269.689 6.8062  265.786 6.8991  3.902496       9.691329  
1 1 1 -3  62  13 o 173.790 3.7818  16397.19   711.865  16408.08   969.384  16384.44   1048.75  173.664 5.1537  173.470 5.5819  0.1940613      7.597195  
1 1 1 -3  62  14 o 47.415  3.9317  1229.75    200.093  1443.08    291.653  1040.05    275.027  51.197  5.3381  43.252  6.0352  7.944454       8.057286  
1 1 1 -3  62  15 o 138.283 3.2544  10383.43   487.425  9962.41    698.786  10782.40   680.235  135.243 4.7705  140.749 4.4621  -5.506210      6.532078  
1 1 1 -3  62  16 o 17.196  6.5155  116.313    166.774  199.718    250.825  50.220     223.279  21.591  8.0298  17.530  7.2405  4.060940       10.81218  
1 1 1 -3  62  17 o 84.102  3.0772  3843.37    280.306  3812.73    403.160  3872.04    389.992  83.493  4.4744  84.175  4.2919  -0.6813812     6.200066  
1 1 1 -3  62  18 o 64.860  3.3527  2294.63    234.724  2551.35    342.199  2066.52    322.569  68.184  4.6617  61.285  4.9005  6.898182       6.763599  
1 1 1 -3  62  19 o 41.385  4.7833  949.720    210.456  785.075    335.964  1056.05    269.995  36.729  8.5973  43.423  5.8929  -6.694817      10.42307  
1 1 1 -3  62  20 o 51.954  4.9458  1494.04    274.951  0.0000     0.0000   1494.04    274.951  ?       ?       51.954  4.9458  0.000000       4.945832  
1 1 1 -3  62  21 o 36.793  6.3506  771.673    243.925  0.0000     0.0000   771.673    243.925  ?       ?       36.793  6.3506  0.000000       6.350577  
1 1 1 -3  62  22 o 71.369  4.4124  2809.03    339.406  0.0000     0.0000   2809.03    339.406  ?       ?       71.369  4.4124  0.000000       4.412383  
1 1 1 -3  62  23 o 69.739  4.9025  2701.82    367.956  0.0000     0.0000   2701.82    367.956  ?       ?       69.739  4.9025  0.000000       4.902529  
1 1 1 -3  62  24 o 48.845  6.0656  1357.06    313.988  0.0000     0.0000   1357.06    313.988  ?       ?       48.845  6.0656  0.000000       6.065607  
1 1 1 -3  62  25 o 39.745  7.5141  939.910    311.614  0.0000     0.0000   939.910    311.614  ?       ?       39.745  7.5141  0.000000       7.514072  
1 1 1 -3  62  26 o 43.370  5.0419  1075.35    232.421  1646.66    518.713  931.840    259.980  50.573  9.8238  39.789  6.2376  10.78365       11.63683  
1 1 1 -3  62  27 o 23.261  7.5088  328.096    215.413  266.130    491.345  342.840    239.675  25.213  10.601  23.782  7.9343  1.431099       13.24148  
1 1 1 -3  62  28 f 53.010  5.2404  1633.29    296.940  0.0000     0.0000   1633.29    296.940  ?       ?       53.010  5.2404  0.000000       5.240404  
1 1 1 -3  62  29 o 47.199  6.9021  1381.36    342.418  0.0000     0.0000   1381.36    342.418  ?       ?       47.199  6.9021  0.000000       6.902120  
1 1 1 -3  62  30 o 23.428  9.2078  331.995    341.996  0.0000     0.0000   331.995    341.996  ?       ?       23.428  9.2078  0.000000       9.207817  
1 1 1 -3  63  1  o 189.061 5.2767  19396.42   1080.52  19854.97   1532.35  18942.94   1523.86  191.097 7.4034  186.643 7.5381  4.454117       10.56570  
1 1 1 -3  63  2  o 293.961 7.3628  46983.42   2344.25  48342.75   3316.39  45625.91   3314.17  297.623 10.288  289.073 10.585  8.549286       14.76100  
1 1 1 -3  63  3  o 147.859 4.6344  11858.71   742.189  11850.14   1062.07  11866.89   1037.58  147.681 6.6399  147.797 6.4817  -0.1158447     9.279019  
1 1 1 -3  63  4  o 312.739 5.4600  53088.45   1849.46  53636.20   2617.26  52542.13   2613.80  313.994 7.6958  310.762 7.7656  3.231750       10.93297  
1 1 1 -3  63  5  o 241.676 4.4811  31680.81   1172.97  31481.09   1659.56  31880.19   1658.10  240.719 6.3652  242.246 6.3195  -1.526596      8.969485  
1 1 1 -3  63  6  o 221.467 4.1784  26599.96   1002.27  26528.84   1419.11  26670.74   1415.76  221.011 5.9283  221.605 5.8985  -0.5934906     8.362823  
1 1 1 -3  63  7  o 154.808 3.3744  12991.51   565.787  12768.74   802.788  13211.37   797.526  153.395 4.8319  156.038 4.7189  -2.643433      6.753962  
1 1 1 -3  63  8  o 224.839 4.2287  27423.52   1029.79  27200.27   1457.27  27646.21   1455.41  223.727 6.0138  225.560 5.9574  -1.833771      8.465013  
1 1 1 -3  63  9  f 191.042 3.7857  19794.49   783.320  20181.24   1109.02  19409.46   1106.55  192.760 5.3119  189.028 5.4047  3.731476       7.578120  
1 1 1 -3  63  10 f 209.984 3.9795  23923.21   905.075  23250.00   1279.27  24597.91   1280.67  206.805 5.7112  212.737 5.5581  -5.931747      7.969357  
1 1 1 -3  63  11 o 174.518 3.5548  16521.99   671.931  17138.38   950.361  15905.88   950.148  177.603 4.9405  171.076 5.1278  6.526993       7.120586  
1 1 1 -3  63  12 o 37.200  1.8881  751.772    75.824   780.829    265.345  749.188    79.124   37.259  6.8267  37.130  1.9746  0.1292725      7.106549  
1 1 1 -3  63  13 o 186.903 3.7538  18968.49   759.901  18609.13   1080.83  19319.77   1068.60  184.860 5.3981  188.387 5.2371  -3.527115      7.521123  
1 1 1 -3  63  14 o 130.108 3.1991  9188.97    450.812  9211.62    639.805  9166.64    635.310  130.113 4.5400  129.798 4.5190  0.3152313      6.405717  
1 1 1 -3  63  15 o 67.133  3.2299  2447.72    234.850  2552.61    339.133  2351.06    325.541  68.301  4.6113  65.536  4.6157  2.765205       6.524456  
1 1 1 -3  63  16 o 157.765 3.4578  13531.30   590.857  12953.30   841.981  14092.11   829.359  154.024 5.0471  160.724 4.7642  -6.699554      6.940552  
1 1 1 -3  63  17 o 20.135  6.8572  206.823    179.048  126.174    257.011  282.872    249.575  20.092  7.9550  23.554  8.0945  -3.462053      11.34909  
1 1 1 -3  63  18 o 89.221  2.8613  4326.03    276.502  4347.21    446.407  4312.85    352.195  89.068  4.6435  88.987  3.6542  0.8078003E-01  5.908912  
1 1 1 -3  63  19 f 39.298  5.1582  861.308    214.254  1233.52    325.378  576.375    284.686  46.791  6.6039  31.520  8.2447  15.27145       10.56344  
1 1 1 -3  63  20 o 117.524 3.1804  7522.70    404.834  7536.68    821.818  7518.22    465.192  116.394 6.5455  117.381 3.6590  -0.9863892     7.498783  
1 1 1 -3  63  21 o 18.616  6.5941  170.070    166.374  -184.5614  420.964  235.718    181.120  20.057  9.0679  20.926  6.8934  -0.8682404     11.39055  
1 1 1 -3  63  22 o 26.991  8.0473  421.674    252.991  0.0000     0.0000   421.674    252.991  ?       ?       26.991  8.0473  0.000000       8.047282  
1 1 1 -3  63  23 o 62.054  5.5482  2158.97    368.969  0.0000     0.0000   2158.97    368.969  ?       ?       62.054  5.5482  0.000000       5.548193  
1 1 1 -3  63  24 o 55.966  5.5945  1767.43    334.578  0.0000     0.0000   1767.43    334.578  ?       ?       55.966  5.5945  0.000000       5.594516  
1 1 1 -3  63  25 o 16.905  7.3993  -21.9583   258.060  0.0000     0.0000   -21.9583   258.060  ?       ?       16.905  7.3993  0.000000       7.399303  
1 1 1 -3  63  26 o 28.403  8.4272  508.333    277.944  0.0000     0.0000   508.333    277.944  ?       ?       28.403  8.4272  0.000000       8.427222  
1 1 1 -3  63  27 o 16.929  7.4392  -6.6792    263.147  0.0000     0.0000   -6.6792    263.147  ?       ?       16.929  7.4392  0.000000       7.439244  
1 1 1 -3  63  28 o 35.564  8.3899  826.648    317.949  0.0000     0.0000   826.648    317.949  ?       ?       35.564  8.3899  0.000000       8.389926  
1 1 1 -3  63  29 o 28.772  9.0583  570.675    315.013  0.0000     0.0000   570.675    315.013  ?       ?       28.772  9.0583  0.000000       9.058317  
1 1 1 -3  63  30 o 32.120  8.9295  720.984    321.877  0.0000     0.0000   720.984    321.877  ?       ?       32.120  8.9295  0.000000       8.929451  
1 1 1 -3  64  1  o 281.479 7.1069  43073.25   2166.69  43076.36   3066.98  43070.14   3061.34  280.943 10.079  280.927 10.061  0.1641846E-01  14.24133  
1 1 1 -3  64  2  o 262.348 6.7313  37403.11   1912.71  36205.89   2707.11  38596.58   2702.86  257.633 9.7014  266.065 9.3792  -8.432373      13.49395  
1 1 1 -3  64  3  f 377.045 6.4015  77234.83   2614.24  80187.59   3698.79  74287.47   3695.40  383.613 8.9022  369.142 9.2427  14.47107       12.83259  
1 1 1 -3  64  4  f 427.052 7.2946  99183.42   3374.08  99355.28   4773.02  99011.76   4770.31  426.517 10.332  425.775 10.344  0.7422485      14.62032  
1 1 1 -3  64  5  o 250.081 4.5996  33928.46   1245.87  33556.66   1763.94  34298.57   1759.93  248.484 6.5541  251.227 6.4678  -2.743500      9.208115  
1 1 1 -3  64  6  o 109.728 3.0334  6525.66    360.507  6331.72    519.976  6705.18    500.262  108.034 4.4438  111.187 4.1541  -3.152672      6.083039  
1 1 1 -3  64  7  o 152.164 3.3476  12552.29   551.722  12587.07   783.426  12518.08   777.120  152.292 4.7495  151.876 4.7242  0.4161987      6.698950  
1 1 1 -3  64  8  o 212.861 4.0766  24579.44   939.863  24930.93   1330.55  24229.41   1327.79  214.199 5.7351  211.156 5.8057  3.043915       8.160754  
1 1 1 -3  64  9  o 363.956 6.2833  72058.59   2476.90  69556.52   3502.88  74560.62   3502.84  356.719 9.0663  369.444 8.7539  -12.72491      12.60270  
1 1 1 -3  64  10 o 352.839 6.1087  67745.65   2334.50  68255.05   3301.48  67236.23   3301.49  353.321 8.6272  350.649 8.6930  2.672424       12.24727  
1 1 1 -3  64  11 f 189.818 3.7496  19553.77   770.891  19613.52   1092.12  19494.43   1088.30  189.906 5.3096  189.329 5.3071  0.5770264      7.507152  
1 1 1 -3  64  12 o 142.806 3.2857  11065.28   508.211  11469.74   730.953  10686.82   707.080  145.254 4.6461  140.208 4.6561  5.046280       6.577710  
1 1 1 -3  64  13 o 187.653 3.7668  19126.88   765.598  19326.81   1085.06  18928.66   1080.39  188.354 5.3187  186.397 5.3514  1.957001       7.545002  
1 1 1 -3  64  14 o 150.691 3.3638  12332.23   549.018  12320.14   785.781  12343.77   767.403  150.392 4.8240  150.557 4.7060  -0.1652222     6.739236  
1 1 1 -3  64  15 o 96.160  3.0778  5021.75    320.563  5060.04    468.075  4987.94    439.923  96.374  4.4842  95.715  4.2435  0.6593628      6.173758  
1 1 1 -3  64  16 o 78.452  3.1405  3344.41    266.854  3423.42    392.328  3276.39    364.035  79.090  4.5998  77.409  4.3597  1.681023       6.337573  
1 1 1 -3  64  17 o 47.140  4.0171  1219.60    203.148  1259.74    307.882  1188.65    270.351  47.511  6.1257  46.264  5.5032  1.246651       8.234704  
1 1 1 -3  64  18 o 26.341  6.2766  397.492    176.524  327.702    258.753  458.252    241.432  24.785  8.2429  28.246  7.6865  -3.461569      11.27063  
1 1 1 -3  64  19 o 87.376  3.3543  4158.46    317.444  3973.65    469.874  4313.63    430.563  84.936  5.1317  88.677  4.4976  -3.740913      6.823705  
1 1 1 -3  64  20 o 88.345  3.1136  4251.26    297.926  4266.59    615.947  4246.57    340.394  87.416  6.5532  88.217  3.5625  -0.8011551     7.458951  
1 1 1 -3  64  21 o 18.583  6.8157  158.427    179.604  286.721    423.466  130.287    198.325  26.431  10.287  18.345  7.0675  8.086205       12.48055  
1 1 1 -3  64  22 o 60.603  3.7206  2018.67    243.033  1746.16    517.315  2095.85    275.306  54.386  9.1038  61.646  4.1474  -7.259392      10.00399  
1 1 1 -3  64  23 o 89.925  3.3132  4423.68    322.695  4987.41    659.256  4246.06    370.058  93.938  6.5199  87.935  3.8854  6.002861       7.589817  
1 1 1 -3  64  24 o 55.939  4.7159  1747.97    283.061  1880.11    523.665  1693.43    336.448  55.966  8.9398  54.643  5.7722  1.322887       10.64137  
1 1 1 -3  64  25 o 18.568  7.8398  61.378     270.535  0.0000     0.0000   61.378     270.535  ?       ?       18.568  7.8398  0.000000       7.839849  
1 1 1 -3  64  26 o 56.890  5.8376  1883.49    354.604  0.0000     0.0000   1883.49    354.604  ?       ?       56.890  5.8376  0.000000       5.837594  
1 1 1 -3  64  27 o 37.096  7.5944  859.961    294.865  0.0000     0.0000   859.961    294.865  ?       ?       37.096  7.5944  0.000000       7.594416  
1 1 1 -3  64  28 f 17.323  7.8073  -53.2262   309.240  0.0000     0.0000   -53.2262   309.240  ?       ?       17.323  7.8073  0.000000       7.807271  
1 1 1 -3  64  29 o 20.026  8.3586  158.169    302.055  0.0000     0.0000   158.169    302.055  ?       ?       20.026  8.3586  0.000000       8.358562  
1 1 1 -3  64  30 o 23.404  8.8881  341.874    310.803  0.0000     0.0000   341.874    310.803  ?       ?       23.404  8.8881  0.000000       8.888137  
1 1 1 -3  65  1  o 123.882 4.2286  8322.85    567.378  7735.53    806.443  8898.52    798.404  119.166 6.2702  128.017 5.7582  -8.850960      8.513070  
1 1 1 -3  65  2  o 341.977 5.8746  63509.67   2175.93  64324.12   3077.44  62695.44   3077.01  343.697 8.2669  339.294 8.3730  4.403046       11.76646  
1 1 1 -3  65  3  o 347.709 6.0456  65671.06   2276.80  65729.90   3221.93  65612.37   3217.85  347.342 8.5642  347.032 8.5610  0.3099060      12.10939  
1 1 1 -3  65  4  o 355.747 6.1166  68755.91   2356.79  69678.59   3334.68  67835.08   3331.35  357.566 8.6105  352.776 8.7187  4.789948       12.25381  
1 1 1 -3  65  5  o 331.447 5.8034  59673.77   2083.35  60262.40   2947.36  59085.99   2945.25  332.581 8.1821  329.300 8.2577  3.280579       11.62485  
1 1 1 -3  65  6  o 83.594  2.9534  3787.51    267.403  3378.79    383.580  4173.95    372.974  78.783  4.5141  87.727  3.9253  -8.944473      5.982028  
1 1 1 -3  65  7  o 142.669 3.2379  11034.81   500.334  11175.36   715.730  10900.48   699.701  143.497 4.6051  141.724 4.5583  1.772675       6.479551  
1 1 1 -3  65  8  o 244.624 4.5124  32480.90   1195.57  31075.16   1691.47  33884.36   1690.10  238.974 6.5350  249.592 6.2519  -10.61832      9.043900  
1 1 1 -3  65  9  o 295.056 5.2326  47308.27   1672.20  48399.10   2367.00  46221.38   2362.71  297.947 7.3348  291.125 7.4931  6.822754       10.48551  
1 1 1 -3  65  10 o 75.733  3.0771  3110.30    252.406  3250.14    366.637  2984.31    348.005  77.238  4.4009  74.005  4.3609  3.232567       6.195553  
1 1 1 -3  65  11 o 132.898 3.1840  9581.04    458.310  9376.42    656.613  9775.44    640.004  131.349 4.6154  134.136 4.4052  -2.786896      6.380301  
1 1 1 -3  65  12 o 50.542  3.6895  1394.38    200.577  1396.97    289.935  1392.00    277.774  50.363  5.3993  50.307  5.1715  0.5607986E-01  7.476459  
1 1 1 -3  65  13 o 77.833  3.2194  3288.62    271.401  3075.91    408.685  3456.44    363.003  74.974  5.0624  79.615  4.2248  -4.640938      6.593702  
1 1 1 -3  65  14 o 163.835 3.4996  14585.16   621.009  14380.59   881.449  14786.78   875.064  162.397 5.0113  164.698 4.9055  -2.301056      7.012623  
1 1 1 -3  65  15 o 72.369  3.1716  2845.27    248.601  2841.69    359.662  2848.54    344.008  72.048  4.6335  72.169  4.4223  -0.1214447     6.405175  
1 1 1 -3  65  16 o 169.946 3.5709  15712.51   657.289  16167.23   932.820  15264.12   926.308  172.010 5.0069  167.104 5.1180  4.906723       7.159843  
1 1 1 -3  65  17 o 70.876  3.2315  2732.09    248.066  2531.11    366.566  2901.89    336.939  67.834  5.0250  72.803  4.2920  -4.968712      6.608461  
1 1 1 -3  65  18 o 64.300  3.4485  2258.07    239.291  2257.19    358.261  2258.77    321.527  63.942  5.2185  64.086  4.6641  -0.1448479     6.999101  
1 1 1 -3  65  19 o 99.431  3.2425  5384.43    349.203  5176.52    503.153  5577.63    485.041  97.171  4.7807  100.951 4.4360  -3.779915      6.521770  
1 1 1 -3  65  20 o 18.385  6.7639  152.614    177.079  364.732    386.643  96.311     199.199  27.320  10.003  17.589  6.9908  9.731577       12.20389  
1 1 1 -3  65  21 o 64.333  3.4916  2267.77    242.376  2126.69    510.938  2308.74    275.327  60.838  7.9436  64.810  3.9410  -3.972687      8.867472  
1 1 1 -3  65  22 o 34.858  5.6683  691.839    206.650  413.328    457.454  763.246    231.632  28.865  10.823  36.533  6.0668  -7.667406      12.40704  
1 1 1 -3  65  23 o 67.685  3.8088  2522.88    278.089  2457.99    558.529  2544.27    320.661  64.957  8.1158  67.789  4.3910  -2.831406      9.227497  
1 1 1 -3  65  24 o 102.619 3.3675  5780.00    374.294  5377.53    745.354  5915.72    432.825  96.509  7.1820  103.602 3.8572  -7.092972      8.152251  
1 1 1 -3  65  25 o 41.858  2.1945  958.826    99.145   1278.69    493.141  945.352    101.212  44.120  10.476  41.550  2.2575  2.570084       10.71641  
1 1 1 -3  65  26 o 49.151  4.6505  1374.15    244.633  665.117    519.171  1576.51    277.353  31.489  11.582  52.519  4.9337  -21.02944      12.58911  
1 1 1 -3  65  27 o 13.417  6.3903  -269.3123  255.889  0.0000     0.0000   -269.3123  255.889  ?       ?       13.417  6.3903  0.000000       6.390328  
1 1 1 -3  65  28 o 14.594  6.8590  -208.8606  276.874  0.0000     0.0000   -208.8606  276.874  ?       ?       14.594  6.8590  0.000000       6.859006  
1 1 1 -3  65  29 o 23.900  8.9215  360.444    310.183  0.0000     0.0000   360.444    310.183  ?       ?       23.900  8.9215  0.000000       8.921512  
1 1 1 -3  66  1  o 137.318 3.1563  10220.34   469.434  10788.01   659.692  9638.02    668.148  141.027 4.3189  133.283 4.6284  7.744278       6.330437  
1 1 1 -3  66  2  o 280.983 5.0323  42850.70   1531.50  43568.64   2167.76  42135.25   2163.97  283.023 7.0716  278.310 7.1788  4.713104       10.07687  
1 1 1 -3  66  3  o 242.948 4.4883  32022.12   1181.04  31773.90   1673.15  32268.61   1667.34  241.781 6.3891  243.666 6.3177  -1.884827      8.985229  
1 1 1 -3  66  4  o 206.537 3.9154  23134.08   875.880  23142.11   1241.27  23126.12   1236.11  206.425 5.5518  206.356 5.5306  0.6909180E-01  7.836421  
1 1 1 -3  66  5  o 356.200 6.1557  68962.90   2374.88  66973.50   3359.25  70950.73   3357.92  350.342 8.8528  360.672 8.5958  -10.33011      12.33937  
1 1 1 -3  66  6  o 236.392 4.3917  30322.77   1124.44  30029.78   1592.17  30614.30   1588.23  235.008 6.2551  237.295 6.1795  -2.287643      8.792786  
1 1 1 -3  66  7  o 72.567  3.1938  2855.07    251.025  2555.43    382.213  3082.36    332.883  68.394  5.1985  75.262  4.0991  -6.867813      6.620221  
1 1 1 -3  66  8  o 18.676  6.5948  165.192    166.282  122.133    272.129  190.849    210.058  20.600  8.1762  20.497  7.3931  0.1021023      11.02307  
1 1 1 -3  66  9  o 289.454 5.1469  45539.96   1613.60  45380.51   2283.66  45698.93   2280.31  288.409 7.3106  289.430 7.2741  -1.020691      10.31295  
1 1 1 -3  66  10 o 298.231 5.2937  48382.54   1709.94  48557.88   2420.04  48207.72   2416.42  298.103 7.4952  297.021 7.5113  1.082428       10.61123  
1 1 1 -3  66  11 o 199.381 3.8998  21588.35   842.168  21338.72   1190.89  21838.07   1191.12  197.942 5.5548  200.257 5.4916  -2.315369      7.811061  
1 1 1 -3  66  12 o 212.771 4.0999  24605.97   944.842  24799.07   1337.85  24413.81   1334.57  213.221 5.7930  211.550 5.8245  1.670990       8.214880  
1 1 1 -3  66  13 o 215.880 4.1378  25348.04   967.499  25382.21   1373.11  25314.36   1363.44  215.551 5.8815  215.273 5.8476  0.2775574      8.293728  
1 1 1 -3  66  14 o 246.087 4.5085  32991.89   1201.70  34477.49   1704.78  31524.71   1694.18  250.868 6.2741  239.774 6.5236  11.09441       9.051065  
1 1 1 -3  66  15 o 28.366  6.0412  457.510    179.920  550.203    274.857  388.013    237.995  30.970  8.1013  26.299  7.7971  4.671453       11.24387  
1 1 1 -3  66  16 o 62.868  3.4065  2156.01    231.092  2056.77    342.294  2239.14    313.260  61.098  5.2227  63.894  4.5565  -2.795818      6.931003  
1 1 1 -3  66  17 o 80.652  3.1524  3537.95    275.374  3542.10    405.723  3534.40    374.967  80.357  4.6819  80.344  4.3248  0.1270294E-01  6.373709  
1 1 1 -3  66  18 o 34.076  2.4219  633.796    88.806   1505.54    319.339  560.729    92.453   51.998  5.7673  32.009  2.6917  19.98986       6.364482  
1 1 1 -3  66  19 o 16.988  6.9661  60.020     204.784  101.547    319.460  31.052     266.814  21.189  8.6961  18.464  7.7903  2.725245       11.67523  
1 1 1 -3  66  20 o 146.698 3.9298  11773.35   624.398  10260.69   1076.95  12539.30   766.349  135.051 7.3906  151.074 4.6834  -16.02357      8.749568  
1 1 1 -3  66  21 f 55.801  2.3860  1693.57    144.206  1762.61    469.815  1686.39    151.520  55.198  8.0994  55.670  2.5129  -0.4722366     8.480242  
1 1 1 -3  66  22 o 93.042  3.2673  4731.84    329.255  4572.55    672.106  4782.14    377.679  89.767  6.9673  93.403  3.7333  -3.635963      7.904502  
1 1 1 -3  66  23 o 46.564  2.5431  1185.36    127.776  1450.41    502.175  1167.02    132.124  48.725  9.8541  46.182  2.6525  2.542580       10.20490  
1 1 1 -3  66  24 o 22.632  7.5510  289.006    217.076  299.323    458.235  286.021    246.489  26.344  10.559  22.914  8.0345  3.429607       13.26809  
1 1 1 -3  66  25 o 30.904  6.8838  578.545    224.507  1004.18    475.696  456.569    254.651  38.463  10.913  27.157  8.0684  11.30639       13.57194  
1 1 1 -3  66  26 o 36.650  6.0121  795.689    230.376  529.113    492.840  870.223    260.599  29.113  11.160  38.071  6.5565  -8.958054      12.94325  
1 1 1 -3  66  27 o 38.113  2.4181  800.284    99.302   0.0000     0.0000   800.284    99.302   ?       ?       38.113  2.4181  0.000000       2.418072  
1 1 1 -3  66  28 o 17.351  7.6735  1.6538     284.244  0.0000     0.0000   1.6538     284.244  ?       ?       17.351  7.6735  0.000000       7.673497  
1 1 1 -3  66  29 o 38.651  8.2132  988.269    333.227  0.0000     0.0000   988.269    333.227  ?       ?       38.651  8.2132  0.000000       8.213206  
1 1 1 -3  67  1  o 188.916 3.7502  19352.88   767.344  18999.20   1086.44  19704.95   1083.94  187.055 5.3625  190.508 5.2532  -3.452744      7.506813  
1 1 1 -3  67  2  o 243.883 4.4756  32271.52   1182.24  31973.95   1671.88  32569.14   1671.99  242.524 6.3647  244.779 6.3065  -2.255341      8.960020  
1 1 1 -3  67  3  o 257.801 4.6786  36068.23   1306.38  35315.14   1850.14  36817.03   1844.87  254.814 6.7037  260.202 6.5461  -5.387985      9.369676  
1 1 1 -3  67  4  o 301.344 5.3129  49316.15   1734.06  50460.13   2453.27  48173.93   2451.39  304.407 7.4408  297.393 7.6105  7.013580       10.64355  
1 1 1 -3  67  5  o 254.696 4.6664  35211.35   1287.29  35150.09   1821.69  35272.45   1819.31  254.180 6.6170  254.626 6.5968  -0.4456024     9.343612  
1 1 1 -3  67  6  o 84.703  2.9729  3889.33    272.743  3923.07    396.544  3859.04    375.730  84.913  4.3260  84.334  4.1134  0.5784836      5.969477  
1 1 1 -3  67  7  f 271.692 4.8952  40093.66   1440.51  40094.41   2040.56  40092.91   2033.82  271.290 6.9446  271.290 6.9216  -0.2441406E-03 9.804914  
1 1 1 -3  67  8  o 140.013 3.2293  10631.58   489.716  10670.08   699.260  10594.51   686.056  140.163 4.6061  139.672 4.5350  0.4909973      6.463958  
1 1 1 -3  67  9  o 91.829  2.9908  4573.03    297.466  4283.96    429.388  4839.79    412.483  88.690  4.4845  94.416  4.0336  -5.725693      6.031661  
1 1 1 -3  67  10 o 145.750 3.2657  11525.96   515.536  11625.73   731.349  11427.41   726.829  146.243 4.6172  144.989 4.6284  1.254059       6.537626  
1 1 1 -3  67  11 o 32.131  4.8747  574.381    164.322  581.883    233.428  567.011    231.358  32.017  6.9323  31.597  6.9494  0.4200535      9.815812  
1 1 1 -3  67  12 o 151.069 3.3575  12392.23   549.366  11994.35   784.578  12774.95   769.482  148.403 4.8812  153.198 4.6374  -4.794937      6.732841  
1 1 1 -3  67  13 o 99.591  3.0217  5384.83    325.939  5331.56    465.920  5435.88    456.131  98.964  4.3467  99.943  4.2137  -0.9791336     6.053905  
1 1 1 -3  67  14 o 119.463 3.0884  7751.86    399.616  7208.32    569.633  8278.59    560.757  114.994 4.5735  123.299 4.1990  -8.304871      6.208764  
1 1 1 -3  67  15 o 212.082 4.0742  24500.16   935.875  24940.63   1330.58  24068.92   1316.58  213.365 5.7577  209.585 5.7999  3.779587       8.172489  
1 1 1 -3  67  16 o 93.525  3.0238  4754.25    306.301  4702.54    438.775  4803.41    427.784  92.832  4.3639  93.848  4.2085  -1.015068      6.062605  
1 1 1 -3  67  17 o 55.598  3.5659  1690.61    213.603  1772.12    309.986  1616.93    294.750  56.643  5.1077  54.089  5.0911  2.553528       7.211672  
1 1 1 -3  67  18 o 64.944  3.7076  2307.64    259.717  2412.35    394.426  2227.49    345.089  65.992  5.5704  63.522  5.0576  2.469429       7.523887  
1 1 1 -3  67  19 o 129.620 3.2837  9157.40    461.011  9440.03    660.262  8888.53    643.979  131.185 4.6469  127.287 4.6711  3.898140       6.588818  
1 1 1 -3  67  20 o 115.183 3.6378  7250.78    453.832  7320.98    844.236  7222.25    538.212  114.236 6.8549  114.738 4.3309  -0.5021133     8.108427  
1 1 1 -3  67  21 o 45.127  4.4502  1130.60    214.682  1440.89    442.491  1035.08    245.514  49.567  8.5511  42.908  5.4027  6.659374       10.11485  
1 1 1 -3  67  22 o 39.363  5.4465  876.152    225.988  759.879    527.789  902.255    250.072  35.498  11.771  39.788  5.9885  -4.289803      13.20666  
1 1 1 -3  67  23 o 58.510  4.0125  1894.54    252.746  1966.13    525.777  1873.02    288.234  57.453  8.7235  57.971  4.6291  -0.5185852     9.875655  
1 1 1 -3  67  24 o 77.767  2.8872  3314.13    243.186  3406.92    614.917  3296.92    264.772  75.983  7.5728  77.476  3.1552  -1.493454      8.203791  
1 1 1 -3  67  25 o 34.071  6.6741  698.499    237.476  938.525    482.642  621.828    272.780  36.881  11.142  31.510  7.9832  5.370892       13.70687  
1 1 1 -3  67  26 o 38.536  6.0549  880.582    244.386  899.004    499.187  874.775    280.271  35.496  11.428  37.819  7.1031  -2.323086      13.45523  
1 1 1 -3  67  27 o 50.327  5.3079  1476.35    284.967  0.0000     0.0000   1476.35    284.967  ?       ?       50.327  5.3079  0.000000       5.307918  
1 1 1 -3  67  28 o 70.594  5.1408  2903.17    390.366  0.0000     0.0000   2903.17    390.366  ?       ?       70.594  5.1408  0.000000       5.140799  
1 1 1 -3  67  29 o 32.122  8.9731  714.957    324.211  0.0000     0.0000   714.957    324.211  ?       ?       32.122  8.9731  0.000000       8.973128  
1 1 1 -3  68  1  o 97.477  2.8708  5149.99    303.096  4847.99    429.082  5450.76    428.204  94.531  4.1908  100.246 3.9438  -5.714737      5.754641  
1 1 1 -3  68  2  o 203.798 3.9403  22528.39   869.762  21228.97   1229.06  23831.94   1231.01  197.657 5.7410  209.462 5.4261  -11.80508      7.899449  
1 1 1 -3  68  3  o 431.363 7.3018  101335.20  3411.46  104346.20  4826.02  98327.95   4823.05  436.563 10.206  423.648 10.511  12.91580       14.65104  
1 1 1 -3  68  4  o 298.585 5.3067  48430.67   1716.18  48357.77   2428.94  48503.34   2425.14  297.895 7.5281  298.348 7.5049  -0.4537659     10.62992  
1 1 1 -3  68  5  o 132.766 3.1338  9556.78    450.643  9074.58    642.630  10023.32   632.112  129.289 4.5891  135.900 4.2944  -6.611206      6.285078  
1 1 1 -3  68  6  o 216.653 4.1002  25473.05   962.136  25889.67   1363.66  25060.08   1357.69  218.193 5.7703  214.658 5.8396  3.535034       8.209579  
1 1 1 -3  68  7  o 53.347  3.5005  1550.40    201.137  1777.80    306.201  1377.80    266.761  56.979  5.0126  50.110  4.9811  6.869789       7.066637  
1 1 1 -3  68  8  o 203.602 3.9493  22503.22   870.917  22810.46   1235.92  22200.18   1227.45  204.745 5.5732  201.981 5.6108  2.763947       7.908344  
1 1 1 -3  68  9  o 64.056  3.1737  2225.94    220.191  2143.95    323.354  2296.82    300.675  62.613  4.8047  64.880  4.3032  -2.266171      6.450006  
1 1 1 -3  68  10 o 45.159  3.6288  1114.36    175.996  1248.69    255.130  992.396    243.097  47.641  5.0199  42.346  5.4250  5.294754       7.391217  
1 1 1 -3  68  11 o 56.348  2.3617  1721.63    144.137  1606.69    299.874  1756.17    164.370  54.061  5.1850  56.900  2.6671  -2.839535      5.830740  
1 1 1 -3  68  12 o 111.029 3.0184  6691.82    362.977  6666.99    518.043  6715.77    508.739  110.685 4.3212  111.101 4.2277  -0.4156647     6.045368  
1 1 1 -3  68  13 o 112.387 2.9878  6858.32    363.697  6679.86    532.337  7014.55    498.061  110.740 4.4383  113.535 4.0503  -2.795250      6.008548  
1 1 1 -3  68  14 o 33.751  5.1439  636.144    182.090  771.974    276.706  532.395    241.832  36.833  7.1941  30.482  7.3995  6.351139       10.32026  
1 1 1 -3  68  15 o 41.942  4.4171  969.956    197.646  1001.93    303.509  946.412    260.436  42.125  6.8904  41.111  6.0280  1.014797       9.154992  
1 1 1 -3  68  16 o 110.084 3.1239  6590.10    372.470  6161.82    538.907  6981.80    515.383  106.172 4.6863  113.118 4.2066  -6.945847      6.297395  
1 1 1 -3  68  17 o 60.552  3.6262  2005.07    236.727  2023.61    366.973  1991.86    309.806  60.413  5.6749  60.133  4.7966  0.2796211      7.430427  
1 1 1 -3  68  18 o 133.192 3.3328  9665.09    480.785  9844.66    694.759  9500.07    666.017  133.997 4.7870  131.670 4.6701  2.327026       6.687729  
1 1 1 -3  68  19 o 165.327 3.7413  14932.17   669.935  15531.34   933.886  14296.94   961.584  167.969 5.1333  160.953 5.5159  7.015137       7.534978  
1 1 1 -3  68  20 o 123.481 3.7519  8341.03    501.783  8051.37    865.033  8487.93    616.014  119.845 6.6908  124.259 4.5771  -4.414017      8.106611  
1 1 1 -3  68  21 o 59.081  3.7295  1919.49    237.428  1683.84    486.010  1993.36    272.108  53.557  8.6751  60.089  4.2075  -6.532280      9.641642  
1 1 1 -3  68  22 f 18.663  7.0966  147.122    198.296  334.273    400.280  86.256     228.275  26.560  10.087  18.122  7.3842  8.437389       12.50068  
1 1 1 -3  68  23 o 25.714  7.2745  391.192    211.689  661.595    438.972  309.254    241.643  32.806  10.728  23.555  7.9664  9.251114       13.36240  
1 1 1 -3  68  24 o 79.694  3.5021  3505.34    302.289  2998.61    620.444  3663.07    346.153  70.397  8.2966  81.268  3.9326  -10.87134      9.181458  
1 1 1 -3  68  25 o 16.399  1.8809  148.488    32.805   -420.9595  459.554  151.404    32.889   17.997  8.5696  16.564  1.8657  1.433403       8.770318  
1 1 1 -3  68  26 o 43.087  5.2209  1076.38    238.674  762.661    509.226  1164.70    270.190  32.782  11.544  44.551  5.7324  -11.76900      12.88935  
1 1 1 -3  68  27 o 28.363  9.0725  536.456    315.020  0.0000     0.0000   536.456    315.020  ?       ?       28.363  9.0725  0.000000       9.072478  
1 1 1 -3  68  28 o 17.111  7.6058  -8.0419    282.720  0.0000     0.0000   -8.0419    282.720  ?       ?       17.111  7.6058  0.000000       7.605773  
1 1 1 -3  69  1  o 383.488 6.6013  80028.05   2741.90  79452.66   3877.97  80603.23   3877.30  381.166 9.3933  383.944 9.3238  -2.777496      13.23508  
1 1 1 -3  69  2  o 134.177 3.1451  9760.77    457.065  9513.10    643.067  10013.62   649.760  132.388 4.4848  135.830 4.4166  -3.442734      6.294375  
1 1 1 -3  69  3  o 154.470 3.2059  12937.42   536.365  12925.21   761.519  12949.45   755.584  154.303 4.5566  154.451 4.5167  -0.1478577     6.415841  
1 1 1 -3  69  4  o 165.959 3.4533  14937.35   620.740  14701.63   881.525  15169.18   874.238  164.519 4.9471  167.126 4.8296  -2.607208      6.913682  
1 1 1 -3  69  5  o 105.083 2.9302  5986.65    333.503  6206.33    474.470  5772.13    468.869  106.937 4.0965  103.122 4.1979  3.814095       5.865435  
1 1 1 -3  69  6  o 31.277  5.0369  544.996    164.838  378.267    258.349  659.477    214.076  26.374  8.1870  34.321  5.9760  -7.946653      10.13607  
1 1 1 -3  69  7  o 66.983  3.1564  2433.53    228.993  2375.29    342.389  2480.66    308.020  65.934  4.8280  67.455  4.2375  -1.520927      6.423872  
1 1 1 -3  69  8  f 167.915 3.5048  15301.33   637.426  15317.16   903.928  15285.67   899.004  167.825 4.9729  167.655 4.9508  0.1694489      7.017109  
1 1 1 -3  69  9  o 71.423  2.9927  2767.31    231.508  2830.43    331.632  2707.30    323.331  72.044  4.2690  70.456  4.2570  1.588715       6.028822  
1 1 1 -3  69  10 o 153.501 3.3643  12791.76   559.331  12194.09   796.300  13373.82   785.830  149.663 4.9124  156.782 4.6277  -7.118744      6.748829  
1 1 1 -3  69  11 o 205.194 3.9858  22891.87   885.825  23042.01   1258.63  22744.50   1246.94  205.457 5.6560  204.130 5.6399  1.326111       7.987373  
1 1 1 -3  69  12 o 80.699  3.0183  3535.75    263.810  3332.93    379.165  3726.07    367.287  78.100  4.5014  82.753  4.0978  -4.652611      6.087257  
1 1 1 -3  69  13 o 57.219  3.6348  1787.55    224.096  1541.68    347.938  1961.84    292.948  52.684  6.2174  59.823  4.5554  -7.139099      7.707632  
1 1 1 -3  69  14 o 44.097  2.0908  1054.68    99.861   872.864    324.453  1073.70    104.956  39.049  7.9417  44.490  2.1781  -5.440868      8.234967  
1 1 1 -3  69  15 o 22.730  6.6482  289.989    174.045  141.584    266.412  400.486    229.882  20.651  8.1236  26.566  7.6035  -5.914484      11.12683  
1 1 1 -3  69  16 o 139.942 3.3031  10657.62   500.662  10662.76   718.129  10652.76   698.370  139.614 4.7490  139.586 4.6193  0.2778625E-01  6.625026  
1 1 1 -3  69  17 o 129.347 3.2146  9107.29    450.346  9407.77    648.538  8827.47    625.839  131.121 4.5666  127.017 4.5491  4.103279       6.445826  
1 1 1 -3  69  18 o 90.842  2.9762  4491.78    292.837  4595.98    485.320  4432.13    367.218  91.363  4.9226  90.101  3.7629  1.262115       6.196070  
1 1 1 -3  69  19 o 50.656  4.3469  1417.00    236.186  1306.31    350.244  1509.32    319.855  47.903  6.9537  51.919  5.7863  -4.016544      9.046339  
1 1 1 -3  69  20 o 28.484  7.5417  474.492    236.333  285.891    406.509  570.784    290.464  26.049  10.095  31.107  8.4167  -5.058506      13.14350  
1 1 1 -3  69  21 f 28.657  2.0144  448.447    62.125   762.514    417.373  441.331    62.825   35.457  10.274  28.423  2.0546  7.034204       10.47711  
1 1 1 -3  69  22 o 66.202  3.6394  2411.77    259.957  2670.15    521.431  2326.31    299.883  68.177  7.1688  64.813  4.2962  3.363632       8.357586  
1 1 1 -3  69  23 o 72.100  2.8118  2843.73    219.577  2645.17    622.844  2871.91    234.641  66.193  8.9142  72.409  2.9919  -6.215668      9.402923  
1 1 1 -3  69  24 o 41.778  5.4700  1007.07    241.570  822.526    474.898  1071.49    280.582  34.942  11.135  42.733  6.2466  -7.790966      12.76774  
1 1 1 -3  69  25 o 23.426  7.5842  329.750    219.641  118.317    468.642  389.266    248.640  23.251  10.076  25.185  8.0606  -1.934223      12.90380  
1 1 1 -3  69  26 o 21.575  7.7131  265.228    228.129  387.295    478.443  229.310    259.531  26.569  10.740  21.155  8.1010  5.413834       13.45230  
1 1 1 -3  69  27 o 18.002  7.7821  50.215     278.118  0.0000     0.0000   50.215     278.118  ?       ?       18.002  7.7821  0.000000       7.782065  
1 1 1 -3  69  28 o 25.788  8.8334  439.903    297.135  0.0000     0.0000   439.903    297.135  ?       ?       25.788  8.8334  0.000000       8.833379  
1 1 1 -3  70  1  f 107.592 2.9156  6275.58    339.761  6300.16    478.773  6250.64    482.235  107.747 4.1026  107.320 4.1487  0.4268494      5.834575  
1 1 1 -3  70  2  o 421.793 7.2173  96977.82   3297.20  94985.36   4664.02  98968.44   4661.85  416.011 10.351  424.762 10.133  -8.750397      14.48534  
1 1 1 -3  70  3  o 291.099 5.1968  46051.35   1638.50  46521.17   2318.36  45582.49   2316.01  292.075 7.3285  289.095 7.3966  2.980377       10.41232  
1 1 1 -3  70  4  o 25.073  5.5430  355.259    146.527  222.346    215.142  470.250    200.113  21.452  7.5072  28.815  6.5591  -7.362598      9.968941  
1 1 1 -3  70  5  o 69.319  2.9524  2605.56    221.668  2299.54    315.725  2903.04    311.294  64.910  4.5190  73.027  3.9504  -8.116478      6.002218  
1 1 1 -3  70  6  o 75.873  2.9621  3121.83    243.417  2635.48    351.814  3568.45    337.141  69.482  4.7026  81.081  3.8391  -11.59837      6.070617  
1 1 1 -3  70  7  o 271.947 4.9101  40215.37   1446.24  39835.63   2048.63  40592.63   2041.97  270.088 7.0031  272.671 6.9142  -2.582733      9.841185  
1 1 1 -3  70  8  f 177.410 3.6450  17087.77   700.402  17096.08   996.239  17079.66   984.893  177.225 5.1900  177.149 5.1331  0.7531738E-01  7.299654  
1 1 1 -3  70  9  o 129.773 3.1093  9139.13    437.034  9144.62    620.431  9133.72    615.714  129.677 4.4173  129.603 4.3862  0.7350159E-01  6.225116  
1 1 1 -3  70  10 o 118.996 3.0197  7685.17    389.191  8172.29    558.005  7223.72    543.096  122.585 4.2027  115.233 4.3514  7.351089       6.049596  
1 1 1 -3  70  11 o 29.384  5.0742  484.018    155.651  544.418    228.197  431.470    212.850  30.904  6.9821  27.526  7.0947  3.378492       9.954123  
1 1 1 -3  70  12 o 33.745  4.9992  634.471    177.188  599.847    271.674  660.101    233.745  32.351  7.8363  34.137  6.5602  -1.786617      10.21976  
1 1 1 -3  70  13 o 90.576  3.0093  4456.23    295.220  4526.07    423.624  4390.28    411.643  91.143  4.2913  89.772  4.2336  1.370369       6.028149  
1 1 1 -3  70  14 o 178.062 3.6651  17255.76   706.856  17319.09   1002.97  17193.26   996.358  177.943 5.2040  177.301 5.1884  0.6423340      7.348538  
1 1 1 -3  70  15 o 105.776 2.9753  6081.81    340.867  6306.66    501.651  5888.96    464.596  107.494 4.3087  103.907 4.1282  3.587654       5.967158  
1 1 1 -3  70  16 o 67.518  2.6311  2476.73    192.411  2253.49    363.302  2563.75    226.837  63.880  5.2987  68.656  3.0504  -4.775997      6.114032  
1 1 1 -3  70  17 o 21.860  7.0237  260.036    188.647  197.697    314.026  295.236    235.972  22.845  8.8673  23.552  7.8729  -0.7066326     11.85798  
1 1 1 -3  70  18 o 47.336  4.6145  1240.17    233.576  1149.27    359.248  1306.73    307.425  44.709  7.6963  48.252  6.0128  -3.542961      9.766664  
1 1 1 -3  70  19 o 97.738  3.3206  5212.62    351.526  5104.31    519.809  5303.90    477.187  96.132  5.0097  98.286  4.4826  -2.153496      6.722372  
1 1 1 -3  70  20 o 43.598  5.4289  1068.32    250.805  936.174    440.395  1131.76    305.119  39.256  10.248  44.552  6.5157  -5.296326      12.14384  
1 1 1 -3  70  21 o 80.613  3.4971  3556.81    305.335  3115.94    644.485  3684.41    346.715  73.321  8.2593  81.938  3.9067  -8.617004      9.136663  
1 1 1 -3  70  22 o 66.010  3.7757  2402.94    268.829  2164.36    524.519  2487.94    313.075  60.664  8.1925  66.980  4.3388  -6.316696      9.270491  
1 1 1 -3  70  23 o 65.071  3.7441  2345.35    262.762  2164.52    527.419  2405.06    303.049  59.956  8.3483  65.672  4.2840  -5.715935      9.383312  
1 1 1 -3  70  24 o 39.307  1.3725  839.526    58.433   664.994    518.219  841.774    58.808   31.872  11.594  39.359  1.3795  -7.487400      11.67609  
1 1 1 -3  70  25 o 18.524  7.2810  145.861    213.848  127.160    444.254  151.501    243.973  22.879  9.8630  19.328  7.7194  3.550859       12.52471  
1 1 1 -3  70  26 o 15.775  6.8141  18.831     212.891  158.922    464.363  -18.4494   239.550  23.246  10.052  15.981  7.0573  7.264980       12.28240  
1 1 1 -3  70  27 o 30.089  8.6612  605.196    297.516  0.0000     0.0000   605.196    297.516  ?       ?       30.089  8.6612  0.000000       8.661205  
1 1 1 -3  70  28 o 29.793  8.8180  604.704    304.596  0.0000     0.0000   604.704    304.596  ?       ?       29.793  8.8180  0.000000       8.818013  
1 1 1 -3  71  1  o 91.397  2.8473  4528.94    281.866  4475.11    404.628  4579.69    392.868  90.797  4.1145  91.860  3.9487  -1.063309      5.702705  
1 1 1 -3  71  2  o 187.051 3.7226  18985.11   754.191  19108.26   1066.19  18861.77   1066.99  187.475 5.2508  186.256 5.2890  1.218414       7.452812  
1 1 1 -3  71  3  o 193.734 3.7761  20368.41   792.346  19881.34   1121.11  20854.50   1119.98  191.193 5.4139  195.837 5.2801  -4.643860      7.562408  
1 1 1 -3  71  4  o 202.196 3.9157  22192.46   857.542  22616.78   1215.13  21771.46   1210.38  203.887 5.5026  200.026 5.5868  3.860779       7.841600  
1 1 1 -3  71  5  o 123.287 3.0591  8244.00    408.487  8081.52    579.287  8404.70    576.103  121.969 4.3851  124.393 4.2760  -2.424377      6.124756  
1 1 1 -3  71  6  o 119.781 3.0057  7782.14    389.947  7680.87    553.301  7882.07    549.653  118.902 4.2964  120.457 4.2129  -1.554688      6.017282  
1 1 1 -3  71  7  o 176.862 3.6360  16982.52   696.506  17187.39   993.990  16784.89   976.266  177.698 5.1645  175.611 5.1327  2.087601       7.281264  
1 1 1 -3  71  8  o 122.610 3.0561  8157.34    405.850  8289.30    578.228  8029.21    569.783  123.476 4.3236  121.523 4.3289  1.953163       6.118276  
1 1 1 -3  71  9  o 74.971  2.9486  3050.11    239.429  3150.87    343.736  2955.15    333.695  76.007  4.1917  73.599  4.2035  2.407196       5.936273  
1 1 1 -3  71  10 o 45.253  3.7179  1120.43    180.616  1188.47    273.114  1067.54    240.789  46.336  5.5525  43.952  5.1561  2.384789       7.577302  
1 1 1 -3  71  11 o 144.525 3.2620  11346.47   510.621  11192.62   724.613  11498.23   719.666  143.312 4.6682  145.274 4.5738  -1.961609      6.535424  
1 1 1 -3  71  12 o 135.644 3.2357  9997.44    475.384  10116.36   686.961  9888.16    658.531  136.207 4.6565  134.689 4.5141  1.517212       6.485414  
1 1 1 -3  71  13 o 59.339  3.4667  1921.34    221.839  1911.83    330.379  1929.14    299.363  58.910  5.2324  59.274  4.7015  -0.3645515     7.034358  
1 1 1 -3  71  14 o 146.854 3.3389  11730.41   531.077  11868.69   755.621  11595.42   746.574  147.393 4.7332  145.687 4.7313  1.706223       6.692442  
1 1 1 -3  71  15 o 166.395 3.5529  15077.46   640.312  14396.09   909.497  15747.09   901.630  162.088 5.1806  169.625 4.9076  -7.536697      7.136033  
1 1 1 -3  71  16 o 75.196  3.2369  3077.86    263.631  3139.44    389.773  3025.94    357.922  75.570  4.7867  74.257  4.4711  1.313065       6.550066  
1 1 1 -3  71  17 o 45.481  4.6897  1145.49    227.707  1161.82    345.105  1132.90    303.034  45.128  7.3106  44.802  6.4291  0.3255997      9.735458  
1 1 1 -3  71  18 o 21.278  7.2807  235.540    201.854  219.413    304.281  248.215    269.756  22.962  8.7767  22.879  8.3587  0.8338928E-01  12.12016  
1 1 1 -3  71  19 o 94.064  3.3207  4829.83    338.321  5410.80    503.989  4353.29    456.451  99.172  4.6920  88.813  4.7625  10.35920       6.685563  
1 1 1 -3  71  20 o 66.197  4.1662  2415.67    297.185  2000.23    516.481  2621.29    363.365  58.641  8.3692  68.736  4.9132  -10.09464      9.704762  
1 1 1 -3  71  21 o 15.419  6.5878  7.0606     194.943  -173.0705  395.339  64.931     224.080  19.265  8.7412  17.560  7.2534  1.704918       11.35871  
1 1 1 -3  71  22 o 49.299  4.3994  1355.62    232.447  1568.33    468.811  1286.28    267.664  51.031  8.7998  47.713  5.2672  3.317623       10.25572  
1 1 1 -3  71  23 o 54.551  4.1747  1663.56    244.786  1406.99    494.032  1747.05    281.811  46.835  10.041  55.674  4.7178  -8.839382      11.09371  
1 1 1 -3  71  24 o 63.284  3.8552  2234.30    262.985  2256.94    528.689  2226.86    303.152  60.586  8.2729  62.857  4.4822  -2.270859      9.409081  
1 1 1 -3  71  25 o 50.369  2.5131  1391.65    137.099  1455.42    573.967  1387.79    141.186  45.137  11.658  50.211  2.6051  -5.073502      11.94594  
1 1 1 -3  71  26 o 19.256  7.6948  159.188    242.567  0.0000     0.0000   159.188    242.567  ?       ?       19.256  7.6948  0.000000       7.694789  
1 1 1 -3  71  27 o 40.082  7.5571  1019.97    316.042  0.0000     0.0000   1019.97    316.042  ?       ?       40.082  7.5571  0.000000       7.557133  
1 1 1 -3  71  28 f 30.480  9.3187  645.284    336.160  0.0000     0.0000   645.284    336.160  ?       ?       30.480  9.3187  0.000000       9.318710  
1 1 1 -3  72  1  o 183.916 3.6973  18357.07   736.501  18422.79   1040.13  18290.99   1043.02  184.051 5.2177  183.386 5.2511  0.6645203      7.402622  
1 1 1 -3  72  2  o 210.391 4.0316  24033.14   918.692  24143.78   1301.70  23923.35   1296.77  210.603 5.7066  209.639 5.7111  0.9644470      8.073537  
1 1 1 -3  72  3  o 145.194 3.2612  11436.37   512.859  11031.39   728.467  11834.37   722.160  142.465 4.7210  147.581 4.5179  -5.116470      6.534427  
1 1 1 -3  72  4  o 25.690  5.0968  371.544    136.814  346.880    212.701  388.951    178.683  24.996  7.3605  26.191  6.3619  -1.195530      9.728877  
1 1 1 -3  72  5  o 185.288 3.7086  18638.68   744.264  18208.15   1052.24  19069.71   1052.86  182.898 5.3117  187.196 5.1928  -4.298141      7.428319  
1 1 1 -3  72  6  o 102.708 2.8939  5722.15    321.927  5665.51    457.443  5777.73    453.134  102.112 4.1361  103.125 4.0569  -1.012817      5.793594  
1 1 1 -3  72  7  o 123.826 3.0636  8320.14    410.874  7633.53    587.432  8977.76    574.899  118.461 4.5784  128.522 4.1299  -10.06071      6.165856  
1 1 1 -3  72  8  o 120.232 3.0470  7845.50    396.799  7547.29    565.468  8134.78    556.946  117.783 4.4325  122.310 4.2042  -4.526215      6.109232  
1 1 1 -3  72  9  f 85.516  2.9166  3969.00    270.146  3699.24    385.565  4229.12    378.617  82.337  4.3388  88.192  3.9637  -5.855316      5.876717  
1 1 1 -3  72  10 o 101.885 2.9688  5635.48    327.611  5479.94    472.593  5779.39    454.557  100.327 4.3491  103.065 4.0720  -2.738327      5.957825  
1 1 1 -3  72  11 o 24.652  5.7653  345.689    151.193  186.733    223.215  480.437    205.518  20.609  7.5923  29.019  6.6775  -8.409790      10.11094  
1 1 1 -3  72  12 o 214.079 4.0800  24957.15   946.031  26213.43   1341.78  23715.32   1334.04  218.843 5.6608  208.051 5.9201  10.79189       8.190971  
1 1 1 -3  72  13 o 151.196 3.3885  12432.90   554.908  12280.37   793.288  12579.05   776.498  149.923 4.8853  151.778 4.7235  -1.855789      6.795408  
1 1 1 -3  72  14 o 49.362  3.8963  1336.08    206.620  1352.74    312.650  1323.16    275.310  49.266  5.9820  48.869  5.2856  0.3968353      7.982588  
1 1 1 -3  72  15 o 87.326  3.2013  4149.17    302.790  4206.33    457.042  4104.46    404.227  87.533  4.8395  86.690  4.3051  0.8429489      6.477296  
1 1 1 -3  72  16 o 59.156  3.5763  1914.49    228.062  2007.96    340.713  1838.61    306.975  60.239  5.2752  57.696  4.9605  2.542728       7.241158  
1 1 1 -3  72  17 o 50.346  4.3454  1397.81    234.636  1639.38    357.378  1214.78    311.071  54.082  6.2140  46.417  6.3542  7.664162       8.887630  
1 1 1 -3  72  18 o 89.697  3.3492  4389.62    325.376  3868.52    481.456  4827.70    441.446  83.567  5.3473  93.830  4.3438  -10.26344      6.889277  
1 1 1 -3  72  19 o 82.407  3.3964  3709.81    303.148  3611.75    442.604  3796.48    416.060  80.726  5.0882  82.926  4.6511  -2.200150      6.893591  
1 1 1 -3  72  20 o 15.130  6.7310  -69.4170   221.878  406.885    398.734  -283.0524  267.041  28.018  10.174  14.118  6.6662  13.89938       12.16303  
1 1 1 -3  72  21 o 57.635  3.9344  1834.77    244.140  1532.34    491.003  1934.09    281.390  50.428  9.3335  59.029  4.4336  -8.601124      10.33300  
1 1 1 -3  72  22 o 86.291  3.3235  4089.77    310.616  4271.13    623.351  4029.86    358.263  86.111  6.7372  85.443  3.8713  0.6678009      7.770267  
1 1 1 -3  72  23 o 75.732  2.8023  3146.44    229.861  3049.78    571.828  3165.07    251.035  71.508  7.4946  75.864  3.0551  -4.356796      8.093338  
1 1 1 -3  72  24 o 51.662  4.4038  1506.53    244.060  1477.77    492.414  1515.89    281.004  47.576  9.8790  51.469  5.1082  -3.892986      11.12158  
1 1 1 -3  72  25 o 16.366  6.9155  50.346     210.774  120.688    426.514  27.617     242.447  22.358  9.6513  16.892  7.2842  5.466343       12.09165  
1 1 1 -3  72  26 o 18.329  7.8569  65.540     278.902  0.0000     0.0000   65.540     278.902  ?       ?       18.329  7.8569  0.000000       7.856853  
1 1 1 -3  72  27 o 24.043  8.7350  358.729    293.999  0.0000     0.0000   358.729    293.999  ?       ?       24.043  8.7350  0.000000       8.734989  
1 1 1 -3  73  1  o 142.566 3.1430  11025.97   485.325  11144.27   688.369  10909.04   684.355  143.208 4.4380  141.686 4.4595  1.521759       6.291469  
1 1 1 -3  73  2  f 124.388 3.0427  8392.73    409.921  8243.36    580.401  8541.39    579.035  123.171 4.3506  125.386 4.2637  -2.215004      6.091533  
1 1 1 -3  73  3  o 211.452 4.0442  24285.93   926.230  24170.92   1310.59  24400.70   1309.18  210.632 5.7448  211.638 5.7113  -1.006165      8.100714  
1 1 1 -3  73  4  o 106.293 2.9131  6128.44    335.375  6287.66    486.100  5983.81    463.303  107.573 4.1721  104.950 4.0758  2.623505       5.832530  
1 1 1 -3  73  5  o 147.035 3.2735  11733.47   521.313  11602.58   736.468  11864.91   738.030  146.051 4.6556  147.699 4.6135  -1.647690      6.554299  
1 1 1 -3  73  6  o 79.578  2.8595  3435.51    246.461  3628.58    351.772  3249.36    345.411  81.716  3.9745  77.207  4.1457  4.509338       5.743165  
1 1 1 -3  73  7  o 79.530  2.9784  3432.49    256.554  3274.12    367.043  3583.77    358.745  77.456  4.3932  81.086  4.0981  -3.629890      6.007867  
1 1 1 -3  73  8  o 76.876  2.9391  3207.59    244.726  3257.86    353.198  3161.17    339.405  77.270  4.2364  76.126  4.1319  1.144806       5.917703  
1 1 1 -3  73  9  o 97.441  2.9696  5154.40    313.412  4975.55    452.761  5318.95    434.280  95.600  4.3726  98.881  4.0550  -3.280319      5.963427  
1 1 1 -3  73  10 o 100.586 2.9279  5493.33    318.978  5351.41    455.245  5630.19    447.073  99.139  4.2397  101.712 4.0582  -2.572426      5.868902  
1 1 1 -3  73  11 o 142.795 3.2822  11080.82   507.629  10869.02   728.150  11281.09   708.062  141.154 4.7628  143.851 4.5445  -2.697617      6.583053  
1 1 1 -3  73  12 o 59.967  3.2667  1960.61    211.377  1989.75    314.128  1936.49    285.749  60.171  4.8615  59.422  4.4726  0.7487602      6.605982  
1 1 1 -3  73  13 o 210.331 4.0775  24117.04   928.899  23715.88   1321.24  24509.14   1306.21  207.840 5.8692  211.367 5.7057  -3.526260      8.185512  
1 1 1 -3  73  14 o 180.822 3.7111  17813.10   726.817  17897.46   1038.86  17732.21   1017.23  180.687 5.3083  179.886 5.2210  0.8004608      7.445616  
1 1 1 -3  73  15 o 123.710 3.2226  8329.45    431.801  8189.19    622.297  8459.68    599.649  122.322 4.6970  124.393 4.4507  -2.070633      6.470794  
1 1 1 -3  73  16 f 41.947  4.5108  974.188    201.720  1055.36    310.615  914.986    265.272  43.096  6.8863  40.221  6.2958  2.874989       9.330448  
1 1 1 -3  73  17 o 50.196  4.3840  1390.92    235.954  1245.60    357.250  1503.36    314.250  46.689  7.3040  51.878  5.6859  -5.189209      9.256227  
1 1 1 -3  73  18 o 86.489  2.9899  4076.21    280.079  3943.90    496.583  4137.94    339.175  84.298  5.4683  87.020  3.5986  -2.722321      6.546183  
1 1 1 -3  73  19 o 107.399 3.3932  6302.81    394.711  6009.34    592.527  6536.93    529.231  104.089 5.2729  109.013 4.4822  -4.924553      6.920576  
1 1 1 -3  73  20 o 50.176  4.8882  1404.43    262.279  1607.79    398.536  1249.06    348.346  52.901  7.1378  46.527  7.1406  6.373779       10.09637  
1 1 1 -3  73  21 o 54.319  4.1316  1636.15    241.252  1288.87    486.144  1749.61    277.884  45.609  10.107  56.020  4.6211  -10.41171      11.11327  
1 1 1 -3  73  22 o 22.410  7.3825  286.988    207.736  574.057    423.599  196.086    238.368  30.582  10.543  20.518  7.7858  10.06345       13.10653  
1 1 1 -3  73  23 o 20.843  7.3957  236.507    209.365  247.414    424.565  233.003    240.662  24.507  10.038  21.244  7.8725  3.263378       12.75659  
1 1 1 -3  73  24 o 19.801  7.3627  199.701    210.855  879.158    430.387  -14.8906   241.872  36.024  10.431  16.262  7.1396  19.76157       12.64047  
1 1 1 -3  73  25 o 21.158  7.6808  249.376    227.252  146.311    440.323  286.795    265.318  22.811  9.8267  22.523  8.2804  0.2883549      12.85025  
1 1 1 -3  73  26 o 34.154  8.3230  761.980    305.072  0.0000     0.0000   761.980    305.072  ?       ?       34.154  8.3230  0.000000       8.322976  
1 1 1 -3  73  27 o 25.131  9.1375  402.152    321.811  0.0000     0.0000   402.152    321.811  ?       ?       25.131  9.1375  0.000000       9.137543  
1 1 1 -3  74  1  o 193.540 3.7910  20342.11   794.677  20025.61   1125.46  20656.79   1122.23  191.750 5.4191  194.768 5.3198  -3.018494      7.593846  
1 1 1 -3  74  2  o 179.655 3.6296  17524.65   706.256  17133.02   999.758  17914.77   997.839  177.393 5.2034  181.417 5.0782  -4.024918      7.270756  
1 1 1 -3  74  3  o 91.444  2.8004  4535.69    277.356  4574.05    397.702  4499.37    386.998  91.753  4.0019  91.007  3.9261  0.7465057      5.606222  
1 1 1 -3  74  4  o 62.426  2.9815  2114.42    201.589  1994.71    290.178  2226.09    280.261  60.399  4.4674  63.873  4.0723  -3.473770      6.044969  
1 1 1 -3  74  5  o 25.005  5.4376  353.955    143.070  212.178    206.954  483.739    198.007  20.948  7.3611  29.191  6.4359  -8.243446      9.777824  
1 1 1 -3  74  6  o 89.681  2.8499  4364.04    276.822  4400.99    394.444  4328.18    388.594  89.972  4.0477  89.226  4.0210  0.7451248      5.705454  
1 1 1 -3  74  7  o 128.825 3.0925  9009.45    431.505  9203.76    613.252  8818.91    607.273  130.051 4.3537  127.296 4.4045  2.755257       6.193084  
1 1 1 -3  74  8  f 193.910 3.8283  20444.65   804.044  20502.76   1139.77  20387.08   1134.42  193.794 5.4301  193.250 5.4198  0.5445709      7.672074  
1 1 1 -3  74  9  o 157.188 3.3842  13426.04   576.171  13576.73   817.538  13277.34   812.145  157.803 4.7832  156.048 4.8051  1.754395       6.780015  
1 1 1 -3  74  10 o 64.255  3.1221  2242.78    217.282  2496.65    323.210  2033.44    293.500  67.545  4.4427  60.923  4.4793  6.622185       6.308891  
1 1 1 -3  74  11 o 34.229  2.0413  637.672    75.333   849.464    263.025  618.746    78.627   38.825  6.4834  33.705  2.1653  5.120277       6.835416  
1 1 1 -3  74  12 o 115.282 3.0256  7222.29    377.778  7486.90    543.400  6974.75    525.565  117.171 4.2818  113.091 4.2907  4.080238       6.061701  
1 1 1 -3  74  13 o 95.857  3.0132  4995.02    312.842  5475.98    449.258  4542.25    435.895  100.198 4.1397  91.213  4.4122  8.985634       6.050165  
1 1 1 -3  74  14 o 99.579  2.9340  5391.13    316.439  5144.41    472.505  5591.78    426.108  97.017  4.4966  101.265 3.8850  -4.248253      5.942458  
1 1 1 -3  74  15 o 129.592 3.2283  9143.47    453.129  8855.42    637.662  9437.30    644.029  127.178 4.6292  131.321 4.5279  -4.142776      6.475485  
1 1 1 -3  74  16 o 64.516  2.7076  2263.62    189.202  2341.73    391.013  2239.74    216.197  64.941  5.6143  64.131  3.1125  0.8100967      6.419326  
1 1 1 -3  74  17 o 85.417  3.3581  3980.04    310.675  3995.39    457.047  3966.85    423.581  85.074  4.9819  84.879  4.6249  0.1942978      6.797737  
1 1 1 -3  74  18 o 14.849  6.4929  -33.9420   198.274  -329.5402  298.463  199.558    265.267  14.802  7.0069  21.620  8.2111  -6.817919      10.79440  
1 1 1 -3  74  19 o 26.978  7.5086  424.549    227.456  222.395    376.254  540.976    285.540  24.342  9.6291  30.277  8.4080  -5.934338      12.78331  
1 1 1 -3  74  20 o 58.647  2.5533  1874.17    162.190  1479.40    433.374  1938.46    174.900  50.132  8.2698  59.622  2.7084  -9.489807      8.702039  
1 1 1 -3  74  21 o 91.890  3.2871  4632.06    327.151  5051.82    658.621  4494.57    376.942  94.032  6.5068  90.299  3.8541  3.732590       7.562577  
1 1 1 -3  74  22 o 102.420 3.1349  5767.24    347.760  4828.64    786.015  5995.69    387.778  89.630  8.1871  104.273 3.4335  -14.64272      8.877924  
1 1 1 -3  74  23 o 70.990  3.6494  2799.47    279.652  2125.04    561.032  3022.44    322.583  58.067  9.2292  73.550  4.0651  -15.48297      10.08486  
1 1 1 -3  74  24 o 44.979  5.1309  1164.41    245.488  1005.92    477.320  1221.41    286.247  38.041  10.976  45.645  5.9301  -7.603386      12.47593  
1 1 1 -3  74  25 o 29.872  7.0272  554.408    223.558  454.944    451.502  586.713    257.315  27.306  10.623  30.364  7.7868  -3.057837      13.17148  
1 1 1 -3  74  26 o 28.521  8.7907  542.157    298.457  0.0000     0.0000   542.157    298.457  ?       ?       28.521  8.7907  0.000000       8.790732  
1 1 1 -3  74  27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -3  75  1  o 195.966 3.8591  20863.93   819.095  20658.12   1158.55  21069.62   1158.20  194.678 5.4945  196.620 5.4386  -1.942261      7.730962  
1 1 1 -3  75  2  o 173.075 3.5433  16266.90   664.225  15871.35   938.853  16663.30   939.861  170.711 5.0777  174.941 4.9602  -4.229767      7.098355  
1 1 1 -3  75  3  o 132.826 3.1032  9575.23    446.434  9628.27    637.376  9524.15    625.498  133.044 4.4231  132.330 4.3641  0.7135620      6.213675  
1 1 1 -3  75  4  o 157.501 3.3821  13470.19   576.952  13721.13   819.783  13223.90   812.137  158.751 4.7677  155.841 4.8115  2.910660       6.773579  
1 1 1 -3  75  5  o 146.300 3.2738  11621.71   518.754  11608.64   738.969  11634.41   728.402  146.018 4.6725  146.192 4.6002  -0.1739349     6.556986  
1 1 1 -3  75  6  o 18.115  5.9432  171.892    134.680  278.482    194.930  74.535     186.296  22.655  7.1245  16.797  6.7324  5.858007       9.802222  
1 1 1 -3  75  7  o 59.959  3.0773  1957.11    199.176  2003.76    286.738  1913.61    276.876  60.509  4.4054  59.132  4.3537  1.376671       6.193743  
1 1 1 -3  75  8  o 31.705  4.7648  559.951    158.564  568.703    236.310  552.784    213.855  31.566  7.0856  31.185  6.5402  0.3808460      9.642604  
1 1 1 -3  75  9  o 151.233 3.3294  12428.52   545.363  12236.29   773.901  12618.14   768.647  149.789 4.7702  152.132 4.6648  -2.342453      6.671985  
1 1 1 -3  75  10 o 86.099  2.9179  4026.06    272.111  4002.67    390.681  4048.09    379.221  85.717  4.2081  86.220  4.0608  -0.5025177     5.847941  
1 1 1 -3  75  11 o 98.650  2.9539  5287.13    315.620  5547.94    457.641  5050.55    435.862  100.891 4.1880  96.263  4.1804  4.627632       5.917340  
1 1 1 -3  75  12 f 99.011  3.0304  5328.63    324.974  5149.01    474.927  5486.77    445.637  97.109  4.5154  100.315 4.1015  -3.206215      6.100117  
1 1 1 -3  75  13 o 25.132  6.2516  361.403    169.474  501.424    253.742  248.637    227.712  29.512  7.8148  22.228  7.7264  7.284399       10.98947  
1 1 1 -3  75  14 o 29.455  5.7948  493.415    178.285  604.275    263.162  399.371    242.384  32.327  7.6375  26.542  7.8685  5.784801       10.96558  
1 1 1 -3  75  15 o 89.779  3.1223  4388.09    303.609  4230.14    446.865  4523.51    413.778  87.731  4.7201  90.961  4.1999  -3.230156      6.318145  
1 1 1 -3  75  16 o 73.117  3.6267  2918.38    287.207  2597.28    442.599  3151.93    377.474  68.246  6.0505  75.661  4.6285  -7.415627      7.617809  
1 1 1 -3  75  17 o 82.803  3.3188  3740.97    297.648  3957.37    428.635  3539.44    413.640  84.728  4.6891  80.084  4.7908  4.643959       6.703650  
1 1 1 -3  75  18 o 19.157  7.2981  151.335    209.960  -15.2279   330.083  264.522    272.103  19.514  8.4569  23.207  8.4077  -3.692453      11.92509  
1 1 1 -3  75  19 o 43.963  5.1647  1083.89    241.239  1136.62    384.309  1049.61    309.902  43.901  8.3882  42.680  6.9425  1.220497       10.88854  
1 1 1 -3  75  20 o 48.000  5.1533  1294.98    263.722  1467.27    404.093  1167.16    348.066  50.084  7.6955  44.671  7.4569  5.413071       10.71568  
1 1 1 -3  75  21 o 44.003  4.8977  1093.72    229.461  535.165    462.668  1275.92    264.249  30.240  10.962  47.434  5.2304  -17.19400      12.14606  
1 1 1 -3  75  22 o 79.326  3.5425  3477.51    304.369  3576.81    596.199  3442.50    353.971  77.844  7.1512  78.519  4.1772  -0.6746750     8.281856  
1 1 1 -3  75  23 o 100.820 3.3691  5616.89    367.901  4843.72    724.626  5885.40    427.033  89.913  7.5096  102.901 3.8315  -12.98844      8.430554  
1 1 1 -3  75  24 o 45.706  4.8994  1197.65    238.764  1245.85    482.029  1181.98    274.851  42.735  10.491  44.930  5.7821  -2.194756      11.97923  
1 1 1 -3  75  25 o 24.657  1.4782  332.055    39.294   0.0000     0.0000   332.055    39.294   ?       ?       24.657  1.4782  0.000000       1.478206  
1 1 1 -3  75  26 o 22.086  8.5567  262.279    291.981  0.0000     0.0000   262.279    291.981  ?       ?       22.086  8.5567  0.000000       8.556662  
1 1 1 -3  76  1  o 150.927 3.3021  12368.09   539.801  11756.88   764.915  12974.46   761.883  146.938 4.8063  154.402 4.5558  -7.464188      6.622372  
1 1 1 -3  76  2  o 94.858  2.8279  4882.33    290.543  4842.18    407.436  4923.87    414.432  94.378  3.9858  95.167  4.0206  -0.7895279     5.661493  
1 1 1 -3  76  3  f 189.453 3.7665  19505.64   772.878  19408.07   1095.91  19602.17   1090.14  188.641 5.3638  189.595 5.3087  -0.9545898     7.546643  
1 1 1 -3  76  4  o 166.988 3.4667  15147.26   626.998  15130.81   888.247  15163.60   885.179  166.639 4.9214  166.824 4.8989  -0.1851044     6.944016  
1 1 1 -3  76  5  o 74.472  2.8801  3010.06    232.313  3059.45    331.786  2962.56    325.388  74.884  4.1064  73.687  4.0931  1.197250       5.797914  
1 1 1 -3  76  6  o 36.418  3.9964  729.995    155.044  632.549    221.936  822.888    216.690  33.451  6.3581  38.469  5.3451  -5.018604      8.306325  
1 1 1 -3  76  7  o 52.928  3.2448  1527.43    185.115  1534.18    267.349  1521.21    256.568  52.847  4.7204  52.649  4.5438  0.1982841      6.552006  
1 1 1 -3  76  8  o 135.670 3.1706  9998.78    465.896  10177.87   662.122  9823.15    655.677  136.671 4.4729  134.262 4.5089  2.409409       6.351132  
1 1 1 -3  76  9  o 135.969 3.1734  10045.30   467.343  10156.65   664.638  9936.42    657.270  136.492 4.4958  135.005 4.4949  1.487747       6.357415  
1 1 1 -3  76  10 f 60.175  3.1596  1973.39    205.211  1977.01    297.588  1970.10    283.360  60.019  4.6131  59.950  4.3946  0.6892395E-01  6.371250  
1 1 1 -3  76  11 o 60.354  3.3484  1987.36    218.023  2264.90    317.582  1739.95    299.844  64.244  4.5944  56.195  4.9779  8.048695       6.774023  
1 1 1 -3  76  12 o 142.963 3.2817  11118.67   508.150  11397.43   734.338  10862.54   703.892  144.404 4.6951  140.998 4.6092  3.405670       6.579401  
1 1 1 -3  76  13 o 202.111 3.9553  22280.57   865.837  22769.55   1232.08  21803.47   1217.02  203.595 5.5873  199.202 5.6407  4.392914       7.939471  
1 1 1 -3  76  14 o 96.071  3.0837  5022.66    320.875  5290.53    470.246  4789.26    438.941  98.349  4.4145  93.591  4.3301  4.757591       6.183692  
1 1 1 -3  76  15 o 34.589  5.5712  675.171    201.630  644.166    333.075  693.106    253.318  33.162  9.0298  34.712  6.9797  -1.549755      11.41287  
1 1 1 -3  76  16 o 64.966  3.7634  2313.73    263.677  2074.76    396.015  2504.04    353.404  60.902  6.0850  67.323  4.8798  -6.420235      7.799949  
1 1 1 -3  76  17 o 102.765 3.2316  5761.97    359.699  5351.67    514.634  6153.85    502.949  98.592  4.8193  105.872 4.3860  -7.280174      6.516407  
1 1 1 -3  76  18 o 60.959  3.9596  2045.15    260.018  2388.91    396.007  1784.63    344.742  65.388  5.6470  56.427  5.7198  8.961071       8.037709  
1 1 1 -3  76  19 o 55.578  2.6249  1683.35    158.009  1655.38    432.643  1687.65    169.734  53.404  7.7024  55.551  2.8304  -2.146511      8.205999  
1 1 1 -3  76  20 o 34.532  6.9429  702.065    250.672  957.382    384.341  513.058    330.685  39.516  9.1588  29.292  9.2875  10.22334       13.04380  
1 1 1 -3  76  21 o 33.497  7.5528  680.023    267.478  321.457    446.563  880.637    334.026  26.293  10.462  37.829  8.3736  -11.53601      13.40031  
1 1 1 -3  76  22 o 70.167  3.6668  2732.55    277.703  2486.82    558.627  2813.21    320.051  63.897  8.2655  70.940  4.1839  -7.042477      9.264121  
1 1 1 -3  76  23 o 48.392  2.6475  1288.47    138.240  1998.86    501.701  1230.11    143.807  56.744  8.4184  47.228  2.8242  9.515259       8.879535  
1 1 1 -3  76  24 o 18.186  7.2351  134.076    213.543  250.694    435.746  97.216     244.977  24.236  10.071  18.203  7.5566  6.032919       12.59081  
1 1 1 -3  76  25 o 27.079  9.2562  477.844    326.258  0.0000     0.0000   477.844    326.258  ?       ?       27.079  9.2562  0.000000       9.256242  
1 1 1 -3  76  26 o 31.829  8.6905  675.161    308.020  0.0000     0.0000   675.161    308.020  ?       ?       31.829  8.6905  0.000000       8.690542  
1 1 1 -3  77  1  o 198.947 3.8860  21517.78   837.352  21527.58   1184.89  21508.00   1183.50  198.605 5.5083  198.516 5.5043  0.8921814E-01  7.787092  
1 1 1 -3  77  2  o 86.792  2.8061  4087.76    263.790  3756.54    373.725  4416.61    372.389  83.100  4.1522  90.137  3.8144  -7.037033      5.638287  
1 1 1 -3  77  3  o 118.394 2.9916  7609.10    383.624  7480.49    546.763  7733.80    538.385  117.240 4.3058  119.227 4.1692  -1.986794      5.993469  
1 1 1 -3  77  4  o 26.353  5.1716  391.812    142.343  373.561    209.472  407.470    194.022  25.724  7.2220  26.749  6.7088  -1.024704      9.857238  
1 1 1 -3  77  5  o 144.128 3.2655  11283.61   509.769  11147.87   720.033  11420.03   721.815  143.037 4.6476  144.781 4.6030  -1.743912      6.541292  
1 1 1 -3  77  6  o 144.457 3.2470  11336.07   508.029  10919.90   722.976  11742.01   714.032  141.538 4.7161  146.814 4.4903  -5.275787      6.511872  
1 1 1 -3  77  7  o 90.078  2.8866  4405.44    281.624  4406.10    402.729  4404.82    393.969  89.964  4.1331  89.961  4.0433  0.2922058E-02  5.781940  
1 1 1 -3  77  8  o 49.701  3.4788  1349.56    186.091  1451.64    274.866  1263.18    252.854  51.325  5.0084  47.854  4.9500  3.470150       7.041717  
1 1 1 -3  77  9  o 77.547  2.9606  3266.71    248.666  3281.63    357.460  3252.72    346.146  77.478  4.2762  77.155  4.1575  0.3232498      5.964147  
1 1 1 -3  77  10 o 63.019  3.0991  2158.65    211.533  2038.11    307.148  2267.41    291.752  60.914  4.6916  64.352  4.2090  -3.438671      6.302882  
1 1 1 -3  77  11 o 127.122 3.1432  8786.78    432.771  8404.55    620.055  9149.84    604.309  124.038 4.6154  129.493 4.3087  -5.454613      6.313963  
1 1 1 -3  77  12 o 60.479  3.3503  1996.74    218.603  1781.16    332.983  2160.04    289.799  56.718  5.4891  62.757  4.2892  -6.039276      6.966152  
1 1 1 -3  77  13 o 55.970  3.7102  1715.27    223.644  1408.91    356.988  1913.18    286.928  50.027  6.7616  58.974  4.5266  -8.946243      8.136876  
1 1 1 -3  77  14 o 76.867  3.2215  3217.76    268.204  3094.01    397.197  3321.48    363.619  74.940  4.9208  77.803  4.3322  -2.862648      6.556105  
1 1 1 -3  77  15 o 62.153  3.9540  2120.00    264.793  1871.07    416.071  2289.46    343.287  57.618  6.7980  64.361  4.9628  -6.743000      8.416778  
1 1 1 -3  77  16 o 91.789  3.2561  4595.17    323.710  4484.55    465.204  4699.01    450.729  90.189  4.7794  92.523  4.4977  -2.334114      6.562936  
1 1 1 -3  77  17 o 55.852  4.3317  1722.58    259.990  1315.94    411.109  1993.61    335.631  47.514  8.2900  59.859  5.2293  -12.34432      9.801541  
1 1 1 -3  77  18 o 31.509  1.7941  540.840    60.975   827.721    346.829  531.690    61.940   37.252  8.7456  31.236  1.8389  6.015772       8.936887  
1 1 1 -3  77  19 o 26.257  7.7488  403.838    235.502  377.889    383.978  419.485    298.167  27.064  9.9597  27.033  8.8417  0.3164673E-01  13.31804  
1 1 1 -3  77  20 o 36.100  6.6367  764.451    249.934  922.878    407.137  668.642    316.613  38.340  9.7747  32.992  8.7261  5.348125       13.10302  
1 1 1 -3  77  21 o 37.339  1.3970  757.299    56.495   225.864    529.911  763.409    56.819   26.023  10.979  37.489  1.3993  -11.46566      11.06787  
1 1 1 -3  77  22 o 59.170  4.0501  1957.22    257.999  1895.01    523.640  1977.16    296.483  54.961  9.1159  59.175  4.6637  -4.213551      10.23957  
1 1 1 -3  77  23 o 17.791  7.2506  103.967    220.149  -661.8718  529.179  264.254    242.093  17.966  8.7155  21.896  7.9308  -3.929203      11.78380  
1 1 1 -3  77  24 o 25.535  7.7567  408.587    233.438  577.038    451.745  347.219    272.663  29.493  10.810  24.027  8.4489  5.466011       13.72045  
1 1 1 -3  77  25 o 31.229  8.7269  646.767    306.600  0.0000     0.0000   646.767    306.600  ?       ?       31.229  8.7269  0.000000       8.726858  
1 1 1 -3  78  1  o 113.272 2.9391  6965.06    360.588  6989.63    508.772  6940.26    511.132  113.339 4.1445  112.933 4.1787  0.4054031      5.885455  
1 1 1 -3  78  2  f 264.291 4.8047  38070.94   1375.38  37334.23   1945.86  38806.45   1944.29  260.843 6.8875  266.005 6.7484  -5.162750      9.642546  
1 1 1 -3  78  3  o 231.262 4.3377  29117.72   1086.52  28814.37   1538.61  29419.48   1534.54  229.423 6.1919  231.852 6.1108  -2.428894      8.699475  
1 1 1 -3  78  4  o 148.125 3.2639  11918.77   523.640  12156.35   744.200  11685.81   736.931  149.367 4.6001  146.439 4.6462  2.928314       6.538190  
1 1 1 -3  78  5  o 178.434 3.6733  17311.69   709.906  16741.62   1003.68  17882.40   1004.23  175.094 5.2924  181.009 5.1223  -5.914642      7.365301  
1 1 1 -3  78  6  o 124.562 3.0711  8427.26    414.327  8240.38    587.928  8611.64    583.987  122.981 4.4138  125.742 4.2880  -2.761238      6.153758  
1 1 1 -3  78  7  o 41.508  3.7506  944.904    166.797  911.391    242.747  974.879    229.577  40.422  5.7029  41.937  5.1634  -1.514332      7.693112  
1 1 1 -3  78  8  o 130.691 3.1370  9281.91    444.044  9045.38    633.028  9511.04    623.036  128.772 4.5387  132.083 4.3551  -3.310791      6.290174  
1 1 1 -3  78  9  o 148.903 3.3115  12057.29   534.068  12012.07   758.629  12101.71   751.986  148.307 4.7228  148.874 4.6636  -0.5678711     6.637299  
1 1 1 -3  78  10 o 94.599  2.9359  4863.08    300.820  4971.07    431.748  4761.19    419.368  95.476  4.1751  93.444  4.1436  2.032410       5.882226  
1 1 1 -3  78  11 o 20.894  6.2452  243.283    152.227  139.880    227.577  327.010    204.785  19.531  7.5578  24.160  7.2485  -4.629093      10.47190  
1 1 1 -3  78  12 o 121.552 3.0742  8037.09    404.728  8380.03    590.895  7734.01    555.488  123.829 4.4057  118.983 4.3104  4.845634       6.163618  
1 1 1 -3  78  13 o 101.042 3.1146  5556.75    340.863  5559.64    508.724  5554.40    459.180  100.757 4.6616  100.814 4.2053  -0.5701447E-01 6.278146  
1 1 1 -3  78  14 o 125.199 3.2280  8539.66    437.733  8389.74    640.674  8670.92    599.472  123.655 4.7836  125.836 4.3984  -2.181702      6.498364  
1 1 1 -3  78  15 o 71.005  3.4716  2751.12    266.989  2697.82    387.044  2799.50    368.778  69.817  5.1548  71.225  4.8085  -1.408630      7.049375  
1 1 1 -3  78  16 o 55.756  4.1729  1713.30    250.171  1657.38    379.290  1756.36    332.836  54.134  6.6059  56.089  5.5517  -1.954338      8.628980  
1 1 1 -3  78  17 o 80.201  3.4680  3515.20    301.249  3242.28    447.228  3741.88    407.588  76.341  5.4445  82.347  4.5881  -6.005272      7.119887  
1 1 1 -3  78  18 o 30.940  7.4596  564.381    247.063  329.461    370.094  753.234    331.829  26.066  9.7421  35.456  8.7049  -9.390123      13.06459  
1 1 1 -3  78  19 f 13.866  6.3849  -149.7621  221.412  -370.7324  354.432  -8.3423    283.545  16.068  7.6146  18.035  7.8269  -1.966593      10.91980  
1 1 1 -3  78  20 o 71.682  3.9959  2852.55    309.001  3122.24    489.477  2673.86    398.430  73.779  6.1823  68.704  5.3977  5.074974       8.207133  
1 1 1 -3  78  21 o 39.774  6.6876  936.635    277.872  692.435    466.717  1070.73    345.849  32.668  11.071  41.924  7.9063  -9.255947      13.60457  
1 1 1 -3  78  22 o 64.304  3.9986  2310.56    277.112  1803.85    543.480  2488.58    322.132  52.872  9.8529  66.474  4.5007  -13.60167      10.83220  
1 1 1 -3  78  23 o 66.708  3.9401  2492.43    283.413  2075.98    552.932  2640.82    330.069  56.813  9.3081  68.342  4.4839  -11.52886      10.33182  
1 1 1 -3  78  24 o 30.767  2.4536  522.637    81.084   505.650    470.322  523.157    82.316   28.260  10.885  30.774  2.4910  -2.513037      11.16613  
1 1 1 -3  78  25 o 30.452  8.8291  615.901    308.161  0.0000     0.0000   615.901    308.161  ?       ?       30.452  8.8291  0.000000       8.829071  
1 1 1 -3  79  1  o 43.037  3.2842  1012.02    151.932  985.800    217.514  1036.99    212.308  42.251  4.8404  43.389  4.5873  -1.137558      6.668797  
1 1 1 -3  79  2  o 48.767  3.1249  1296.90    164.188  1327.35    234.251  1267.50    230.196  49.168  4.4469  48.033  4.4763  1.134827       6.309695  
1 1 1 -3  79  3  o 23.172  5.4777  305.079    135.308  340.579    193.993  271.447    188.821  24.581  6.9673  22.334  7.0101  2.247444       9.883557  
1 1 1 -3  79  4  o 97.232  2.8538  5132.69    300.536  4950.45    429.651  5307.29    420.540  95.356  4.1600  98.761  3.9314  -3.404938      5.723820  
1 1 1 -3  79  5  o 73.790  2.9078  2956.70    232.400  2849.56    332.272  3059.30    325.168  72.205  4.2677  74.860  4.0252  -2.655785      5.866438  
1 1 1 -3  79  6  o 152.815 3.3316  12693.56   551.433  12236.55   781.451  13146.82   778.247  149.737 4.8184  155.253 4.6281  -5.515839      6.681063  
1 1 1 -3  79  7  o 119.359 3.0435  7740.66    393.460  7306.54    558.997  8166.92    553.911  115.746 4.4590  122.424 4.1774  -6.677711      6.110047  
1 1 1 -3  79  8  o 46.092  3.6340  1163.31    179.949  1266.54    267.531  1078.02    243.180  47.835  5.2500  44.099  5.1907  3.736046       7.382823  
1 1 1 -3  79  9  o 15.126  5.9868  69.185     145.520  395.512    216.010  -201.9725  196.906  26.351  7.3113  12.366  5.8029  13.98498       9.334308  
1 1 1 -3  79  10 o 40.931  3.9390  921.510    172.472  1039.23    255.983  823.641    233.403  43.174  5.6065  38.314  5.8065  4.860516       8.071429  
1 1 1 -3  79  11 o 102.217 3.0085  5681.84    333.083  5942.15    483.715  5447.11    459.331  104.312 4.2814  99.879  4.2460  4.432762       6.029821  
1 1 1 -3  79  12 o 38.853  4.2788  834.698    177.076  852.982    266.777  820.299    236.750  38.764  6.5899  38.161  5.9197  0.6029625      8.858314  
1 1 1 -3  79  13 o 36.232  4.8732  732.635    186.391  930.833    294.209  599.750    240.904  40.388  6.9780  32.236  7.0923  8.151718       9.949533  
1 1 1 -3  79  14 o 75.478  3.2600  3104.92    266.511  2543.11    401.869  3546.00    356.079  67.695  5.5293  80.411  4.1021  -12.71667      6.884777  
1 1 1 -3  79  15 o 64.545  3.6825  2283.77    256.373  1970.57    372.595  2565.39    353.306  59.373  5.8710  68.137  4.8184  -8.764866      7.595080  
1 1 1 -3  79  16 o 54.815  4.2094  1657.25    248.003  1938.71    379.172  1446.81    327.857  58.779  6.0418  50.679  6.0951  8.099716       8.582206  
1 1 1 -3  79  17 o 45.988  2.2908  1150.20    114.101  1151.85    365.951  1150.02    120.088  44.437  7.8925  45.909  2.4236  -1.472244      8.256216  
1 1 1 -3  79  18 o 140.932 3.5178  10884.74   536.966  11248.93   795.538  10579.97   727.751  142.305 5.1614  138.204 4.8617  4.100662       7.090623  
1 1 1 -3  79  19 o 137.661 3.5971  10424.30   536.336  10430.74   811.450  10419.31   714.713  136.301 5.4966  136.784 4.8242  -0.4834442     7.313385  
1 1 1 -3  79  20 o 116.337 3.4300  7457.94    432.195  7394.20    677.763  7501.61    561.071  114.326 5.4735  115.984 4.4663  -1.658409      7.064500  
1 1 1 -3  79  21 o 36.194  7.0511  787.273    266.475  824.417    464.733  769.078    325.255  35.167  10.991  34.996  8.6342  0.1704025      13.97690  
1 1 1 -3  79  22 o 28.810  1.4351  451.169    44.780   94.795     445.100  454.813    45.008   22.668  9.8221  28.926  1.4366  -6.257538      9.926599  
1 1 1 -3  79  23 o 17.495  7.1409  100.799    213.950  418.165    442.618  4.0374     244.399  26.921  10.506  16.577  7.2296  10.34474       12.75296  
1 1 1 -3  79  24 o 27.471  8.1486  484.854    259.891  0.0000     0.0000   484.854    259.891  ?       ?       27.471  8.1486  0.000000       8.148553  
1 1 1 -3  79  25 o 50.663  6.9685  1568.04    372.264  0.0000     0.0000   1568.04    372.264  ?       ?       50.663  6.9685  0.000000       6.968474  
1 1 1 -3  80  1  o 48.187  3.1938  1266.98    165.744  1246.31    231.027  1288.91    237.921  47.609  4.5351  48.413  4.5922  -0.8048630     6.454135  
1 1 1 -3  80  2  o 95.425  2.8132  4943.60    290.754  4943.89    412.966  4943.31    409.432  95.307  4.0006  95.305  3.9664  0.1579285E-02  5.633539  
1 1 1 -3  80  3  o 152.906 3.3244  12706.50   550.561  12934.12   782.439  12483.28   774.837  154.000 4.6909  151.284 4.7288  2.716339       6.660779  
1 1 1 -3  80  4  o 183.986 3.7254  18415.96   742.378  18374.83   1052.42  18456.68   1047.36  183.353 5.2995  183.773 5.2619  -0.4198151     7.468079  
1 1 1 -3  80  5  o 210.173 4.0452  24056.34   920.854  24143.72   1303.25  23969.21   1301.32  209.964 5.7308  209.198 5.7432  0.7652588      8.113351  
1 1 1 -3  80  6  o 106.151 2.9576  6121.44    340.041  6223.41    479.978  6018.68    481.810  106.869 4.1467  105.083 4.2332  1.786148       5.925794  
1 1 1 -3  80  7  o 59.465  3.3050  1928.72    212.028  2011.97    290.664  1834.04    309.972  60.566  4.4624  57.713  5.0085  2.853069       6.708054  
1 1 1 -3  80  8  o 127.400 3.1319  8823.65    432.159  8573.68    617.455  9063.70    605.064  125.316 4.5491  128.896 4.3340  -3.579269      6.283174  
1 1 1 -3  80  9  o 41.640  3.9920  953.736    177.834  871.617    265.765  1020.32    239.302  39.287  6.4710  42.848  5.2673  -3.560661      8.343739  
1 1 1 -3  80  10 o 29.840  5.2941  502.343    164.841  420.640    256.184  560.071    215.341  27.253  8.0917  31.295  6.5626  -4.042257      10.41840  
1 1 1 -3  80  11 o 29.789  5.2185  500.630    162.234  625.347    242.618  399.765    218.188  32.994  7.0056  26.427  7.3536  6.566912       10.15649  
1 1 1 -3  80  12 o 112.405 3.0357  6876.07    369.580  7010.29    530.648  6749.62    515.032  113.212 4.3276  111.099 4.2801  2.112778       6.086621  
1 1 1 -3  80  13 o 46.445  1.9282  1170.72    97.000   780.336    288.254  1220.57    103.007  36.748  7.4962  47.420  2.0056  -10.67166      7.759839  
1 1 1 -3  80  14 o 83.422  3.2518  3794.16    293.812  3641.93    429.714  3927.80    402.633  81.244  4.9064  84.530  4.4130  -3.285873      6.599033  
1 1 1 -3  80  15 f 71.809  3.5685  2817.10    277.541  2691.55    419.966  2914.46    369.806  69.529  5.6249  72.654  4.7251  -3.125046      7.346145  
1 1 1 -3  80  16 o 73.642  2.7440  2953.53    218.865  2416.22    423.576  3149.23    255.635  65.652  6.0240  75.982  3.1063  -10.33023      6.777738  
1 1 1 -3  80  17 o 42.336  5.2582  1008.12    235.916  912.605    363.471  1077.65    310.116  39.057  8.8028  43.266  6.8455  -4.209064      11.15123  
1 1 1 -3  80  18 o 22.205  7.7137  263.673    226.944  323.812    368.710  226.993    287.952  25.705  9.7002  22.417  8.5451  3.288326       12.92722  
1 1 1 -3  80  19 o 24.662  8.1757  351.866    254.626  -106.8020  457.981  557.076    306.336  21.153  9.5202  30.103  8.8245  -8.950432      12.98099  
1 1 1 -3  80  20 o 82.777  3.7710  3791.11    338.092  3846.09    532.414  3753.96    437.661  81.837  6.0495  81.599  4.9758  0.2381821      7.832923  
1 1 1 -3  80  21 o 95.634  3.9085  5080.40    404.848  5217.75    700.753  5011.58    496.001  94.243  6.9133  94.218  4.8772  0.2554321E-01  8.460534  
1 1 1 -3  80  22 o 54.272  4.2745  1659.29    249.228  1576.60    514.223  1684.67    284.931  48.953  10.035  54.368  4.8910  -5.415314      11.16390  
1 1 1 -3  80  23 o 60.522  4.0605  2060.86    264.633  1872.79    539.449  2120.46    303.684  53.345  9.6936  61.059  4.6264  -7.713623      10.74099  
1 1 1 -3  80  24 o 63.844  5.8522  2394.11    400.181  0.0000     0.0000   2394.11    400.181  ?       ?       63.844  5.8522  0.000000       5.852247  
1 1 1 -3  81  1  o 97.737  2.8427  5187.23    300.930  5213.43    424.134  5160.67    427.039  97.854  4.0018  97.352  4.0500  0.5026627      5.693568  
1 1 1 -3  81  2  o 68.791  2.8494  2569.78    212.301  2493.95    298.264  2647.65    302.253  67.548  4.0962  69.616  4.0258  -2.068283      5.743307  
1 1 1 -3  81  3  o 68.838  2.9252  2573.86    218.098  2342.57    322.150  2769.57    296.337  65.376  4.5785  71.227  3.8556  -5.851318      5.985669  
1 1 1 -3  81  4  o 50.018  3.3353  1366.22    179.654  1488.10    264.955  1262.49    244.422  51.999  4.7572  47.857  4.7794  4.142353       6.743398  
1 1 1 -3  81  5  o 77.534  2.8807  3265.43    241.915  3171.41    344.591  3356.80    339.699  76.168  4.1931  78.399  4.0140  -2.231071      5.804691  
1 1 1 -3  81  6  o 142.463 3.2277  11034.40   498.041  11192.07   706.547  10878.68   702.146  143.200 4.5554  141.172 4.5921  2.027954       6.468291  
1 1 1 -3  81  7  o 115.042 3.0371  7193.27    378.435  6829.46    533.728  7561.08    536.660  111.872 4.4048  117.751 4.2079  -5.878815      6.091690  
1 1 1 -3  81  8  o 59.299  3.2536  1918.33    208.172  1750.36    306.134  2062.81    283.919  56.331  5.0719  61.336  4.3010  -5.004589      6.650011  
1 1 1 -3  81  9  f 145.954 3.2987  11592.18   521.467  11443.16   741.780  11737.78   733.225  144.644 4.7348  146.529 4.6200  -1.884811      6.615382  
1 1 1 -3  81  10 o 155.276 3.3927  13128.84   570.589  13852.77   815.992  12436.18   798.174  159.087 4.7357  150.681 4.8907  8.406616       6.807724  
1 1 1 -3  81  11 o 90.219  2.9662  4428.02    289.843  4565.21    418.023  4301.01    402.233  91.393  4.2230  88.716  4.1860  2.676926       5.946116  
1 1 1 -3  81  12 o 45.645  3.8632  1145.64    189.196  1370.17    284.970  968.673    253.000  49.621  5.3890  41.531  5.7812  8.089813       7.903387  
1 1 1 -3  81  13 o 137.737 3.2627  10340.81   486.738  10142.39   695.733  10531.03   681.202  135.929 4.7256  138.581 4.5384  -2.652237      6.552007  
1 1 1 -3  81  14 o 47.907  2.1061  1246.59    109.281  1196.52    329.653  1252.77    115.830  45.838  6.8500  48.017  2.2272  -2.179142      7.202927  
1 1 1 -3  81  15 o 41.704  2.2170  947.805    99.782   1088.37    357.640  935.939    103.909  43.278  7.9216  41.428  2.3251  1.850159       8.255780  
1 1 1 -3  81  16 o 61.723  4.1293  2100.74    274.464  1577.44    437.966  2439.16    352.203  52.118  8.0153  66.284  4.9413  -14.16574      9.416029  
1 1 1 -3  81  17 o 47.519  4.8611  1262.69    246.668  951.671    399.591  1454.17    313.537  39.536  9.4584  50.702  5.8145  -11.16611      11.10271  
1 1 1 -3  81  18 o 90.523  3.4317  4500.44    336.465  3910.83    502.556  4979.43    452.965  83.256  5.6058  94.788  4.4121  -11.53176      7.133777  
1 1 1 -3  81  19 o 45.954  2.3973  1156.16    118.904  1385.20    427.111  1136.92    123.799  47.572  8.6062  45.543  2.5195  2.029015       8.967382  
1 1 1 -3  81  20 o 29.425  7.7315  530.904    249.613  404.098    408.560  606.428    315.302  27.059  10.211  31.075  8.9080  -4.015844      13.55054  
1 1 1 -3  81  21 o 33.765  7.4750  698.701    266.145  799.153    464.854  649.716    324.615  34.437  11.021  31.894  9.0031  2.542717       14.23123  
1 1 1 -3  81  22 o 48.706  4.5753  1347.40    238.535  1198.57    502.009  1390.80    271.093  41.608  10.980  49.183  5.1662  -7.575851      12.13441  
1 1 1 -3  81  23 o 19.701  1.6996  213.039    35.911   -215.9160  452.590  215.757    36.025   19.256  8.9574  19.828  1.6937  -0.5716782     9.116171  
1 1 1 -3  81  24 o 22.645  8.7027  276.155    300.191  0.0000     0.0000   276.155    300.191  ?       ?       22.645  8.7027  0.000000       8.702703  
1 1 1 -3  82  1  o 59.863  3.0200  1951.97    195.178  1962.41    279.013  1941.96    273.128  59.843  4.3341  59.539  4.2636  0.3031731      6.079658  
1 1 1 -3  82  2  o 76.020  2.8411  3138.75    233.927  2781.92    338.207  3466.03    323.901  71.291  4.4016  79.799  3.7475  -8.508636      5.780806  
1 1 1 -3  82  3  o 119.826 2.9928  7801.17    388.423  7752.54    548.659  7850.03    549.970  119.255 4.2477  120.006 4.2312  -0.7505569     5.995529  
1 1 1 -3  82  4  o 140.765 3.1790  10770.99   484.678  10901.78   689.855  10643.50   681.107  141.350 4.5060  139.666 4.5025  1.683609       6.369974  
1 1 1 -3  82  5  o 44.754  3.4680  1096.11    166.793  1147.72    236.357  1044.92    235.408  45.579  4.8629  43.421  5.1029  2.157803       7.048902  
1 1 1 -3  82  6  o 73.833  2.9236  2962.19    233.796  3043.18    334.027  2884.40    327.348  74.594  4.1508  72.611  4.1800  1.983070       5.890796  
1 1 1 -3  82  7  o 39.236  4.2917  849.849    179.409  750.648    260.891  938.850    247.115  36.306  6.8866  40.980  5.7237  -4.674503      8.954613  
1 1 1 -3  82  8  o 128.734 3.1221  9013.52    435.318  8790.85    617.722  9233.21    613.565  126.841 4.4964  130.029 4.3566  -3.187515      6.260807  
1 1 1 -3  82  9  o 129.847 3.1279  9172.88    439.898  9427.86    623.591  8920.32    620.638  131.349 4.3833  127.737 4.4859  3.611588       6.271921  
1 1 1 -3  82  10 o 22.785  6.1663  296.138    155.884  303.597    234.828  290.261    208.432  23.776  7.8500  23.046  7.3805  0.7301292      10.77471  
1 1 1 -3  82  11 o 85.991  2.9744  4023.87    277.025  4281.51    399.735  3785.78    384.268  88.496  4.1704  83.087  4.2846  5.409271       5.979139  
1 1 1 -3  82  12 o 141.617 3.2752  10929.65   502.365  11568.08   722.597  10332.42   698.898  145.255 4.5930  137.238 4.7019  8.017197       6.572911  
1 1 1 -3  82  13 o 96.185  3.1352  5041.97    326.619  4661.59    482.557  5363.57    443.703  91.958  4.8622  98.974  4.1391  -7.016617      6.385391  
1 1 1 -3  82  14 o 54.262  4.1175  1621.92    240.183  1532.12    374.149  1684.86    313.247  51.972  6.8106  55.005  5.3246  -3.032852      8.644920  
1 1 1 -3  82  15 f 95.689  3.2870  4999.45    340.667  4768.25    507.126  5189.57    459.883  92.803  5.0644  97.189  4.3688  -4.385956      6.688380  
1 1 1 -3  82  16 o 46.419  4.8970  1203.79    242.488  1108.87    376.495  1271.08    316.991  43.330  8.3249  47.237  6.3572  -3.907192      10.47463  
1 1 1 -3  82  17 o 60.899  4.1070  2053.83    269.316  1834.59    429.176  2196.24    345.898  56.265  7.2082  62.598  5.1473  -6.333340      8.857411  
1 1 1 -3  82  18 o 28.763  7.2255  496.666    224.805  757.452    361.511  332.237    287.056  34.784  9.3808  24.519  8.6641  10.26465       12.76973  
1 1 1 -3  82  19 o 21.534  7.7618  244.719    231.470  279.505    379.557  224.122    292.067  24.617  9.6923  22.121  8.5614  2.495373       12.93202  
1 1 1 -3  82  20 f 23.351  8.0492  312.020    246.881  635.735    406.469  122.789    310.772  31.463  10.325  20.518  8.5139  10.94531       13.38241  
1 1 1 -3  82  21 o 32.570  1.7105  579.099    60.131   456.910    457.929  581.243    60.656   28.046  10.756  32.629  1.7224  -4.582750      10.89276  
1 1 1 -3  82  22 o 23.434  7.8542  329.380    234.862  266.880    554.085  343.069    259.309  26.084  11.125  23.951  8.2497  2.132269       13.84962  
1 1 1 -3  82  23 f 67.876  3.8675  2584.14    283.147  1818.89    570.992  2833.69    326.061  51.497  10.591  70.822  4.2707  -19.32509      11.41932  
1 1 1 -3  83  1  o 52.830  3.0430  1521.69    173.386  1366.98    247.771  1670.16    242.718  49.830  4.6443  55.213  4.0878  -5.383198      6.187064  
1 1 1 -3  83  2  o 115.506 2.9837  7249.46    373.274  7015.88    524.270  7489.60    531.584  113.431 4.2673  117.213 4.1872  -3.781761      5.978505  
1 1 1 -3  83  3  o 117.349 2.9635  7482.75    376.664  7758.31    538.624  7219.02    526.936  119.294 4.1687  115.063 4.2282  4.231766       5.937603  
1 1 1 -3  83  4  o 89.184  2.8222  4320.85    272.611  4449.83    392.104  4200.18    379.276  90.362  4.0063  87.793  3.9886  2.568909       5.653301  
1 1 1 -3  83  5  o 82.059  2.8560  3658.68    253.837  3837.25    359.816  3481.76    358.148  83.911  3.9591  79.798  4.1582  4.113083       5.741501  
1 1 1 -3  83  6  f 57.200  3.3502  1786.32    206.651  1632.74    298.797  1927.14    286.113  54.372  5.1346  59.235  4.4930  -4.863083      6.822824  
1 1 1 -3  83  7  o 125.758 3.1068  8601.51    423.178  8690.57    597.919  8512.13    599.010  126.143 4.3763  124.828 4.4305  1.314819       6.227489  
1 1 1 -3  83  8  o 112.939 3.0092  6936.97    368.102  6889.88    523.864  6982.90    517.347  112.305 4.3067  113.080 4.2240  -0.7741318     6.032444  
1 1 1 -3  83  9  o 39.602  4.0253  864.839    170.254  630.035    242.837  1091.84    238.767  33.111  6.9907  44.340  5.0625  -11.22878      8.631310  
1 1 1 -3  83  10 o 18.478  6.2792  175.636    150.132  203.348    223.032  152.675    203.014  20.894  7.6054  19.114  7.2013  1.780024       10.47383  
1 1 1 -3  83  11 o 38.892  4.2542  837.172    176.282  898.235    261.278  786.150    238.833  39.833  6.2628  37.243  6.1344  2.589481       8.766628  
1 1 1 -3  83  12 o 63.138  3.3802  2180.31    230.318  2294.06    352.518  2095.59    304.229  64.373  5.0977  61.638  4.5899  2.735172       6.859553  
1 1 1 -3  83  13 o 112.428 3.1719  6891.07    386.242  6699.02    556.771  7069.23    536.264  110.428 4.6551  113.537 4.3608  -3.109024      6.378591  
1 1 1 -3  83  14 f 85.932  3.3199  4030.67    308.995  4365.42    464.792  3765.55    413.636  88.910  4.8449  82.624  4.6409  6.285553       6.709011  
1 1 1 -3  83  15 o 46.278  5.0132  1196.66    247.265  1080.08    441.406  1249.98    298.495  42.257  9.8296  47.007  5.9996  -4.750248      11.51591  
1 1 1 -3  83  16 o 22.407  7.5458  274.159    216.792  443.029    348.443  167.503    276.917  28.001  9.5658  21.032  8.2794  6.968403       12.65123  
1 1 1 -3  83  17 o 40.748  5.5714  947.942    239.449  797.054    391.985  1037.76    302.434  35.703  9.8267  42.143  6.8619  -6.439903      11.98540  
1 1 1 -3  83  18 o 51.737  4.6405  1504.35    257.271  1688.72    419.693  1393.36    325.625  53.395  7.4609  49.051  6.2727  4.343109       9.747449  
1 1 1 -3  83  19 o 16.440  7.0246  23.784     221.675  205.162    374.963  -73.6697   274.850  23.256  9.4684  16.602  7.4310  6.653254       12.03624  
1 1 1 -3  83  20 o 75.865  4.0451  3210.73    331.187  3158.19    495.171  3253.26    445.496  73.770  6.2563  75.454  5.4888  -1.684280      8.322756  
1 1 1 -3  83  21 o 50.561  5.4044  1473.72    291.374  1485.25    510.158  1468.14    354.967  47.323  10.250  49.637  6.7799  -2.313301      12.28918  
1 1 1 -3  83  22 o 62.084  4.0878  2167.67    273.338  1697.55    637.146  2273.71    302.598  48.262  12.187  63.385  4.4357  -15.12315      12.96868  
1 1 1 -3  83  23 f 50.051  5.4346  1457.05    289.879  0.0000     0.0000   1457.05    289.879  ?       ?       50.051  5.4346  0.000000       5.434618  
1 1 1 -3  84  1  o 108.776 2.9146  6429.31    343.390  6525.22    485.396  6333.23    485.858  109.406 4.0962  107.773 4.1623  1.633087       5.839846  
1 1 1 -3  84  2  o 125.105 3.0499  8507.44    413.261  8110.72    588.490  8893.43    580.471  121.898 4.4573  127.701 4.1968  -5.803299      6.122130  
1 1 1 -3  84  3  o 18.848  5.7997  195.004    129.971  287.961    213.290  140.099    163.920  23.103  7.4731  17.754  6.5113  5.348955       9.911882  
1 1 1 -3  84  4  o 131.045 3.0792  9337.00    437.044  9315.56    622.286  9357.87    613.945  130.626 4.3984  130.938 4.3290  -0.3127747     6.171405  
1 1 1 -3  84  5  o 172.792 3.5939  16259.57   672.611  16339.70   950.571  16179.22   951.862  172.738 5.0807  171.875 5.1132  0.8625183      7.208219  
1 1 1 -3  84  6  o 49.871  3.5200  1361.07    188.913  1187.99    266.755  1535.22    267.572  46.225  5.4315  52.772  4.7316  -6.546356      7.203416  
1 1 1 -3  84  7  o 85.848  2.9377  4007.47    273.152  3842.31    390.535  4165.64    382.190  83.755  4.3198  87.368  4.0388  -3.613449      5.913766  
1 1 1 -3  84  8  o 91.219  2.9301  4525.66    289.495  4460.49    412.538  4588.90    406.348  90.352  4.2155  91.667  4.0927  -1.314629      5.875491  
1 1 1 -3  84  9  o 44.708  3.7173  1097.76    178.373  1075.37    254.703  1119.30    249.881  43.890  5.4771  44.845  5.2435  -0.9549294     7.582433  
1 1 1 -3  84  10 o 96.700  2.9850  5089.42    312.634  4967.50    438.930  5214.97    445.405  95.290  4.2528  97.644  4.2115  -2.354218      5.985270  
1 1 1 -3  84  11 o 27.698  5.6881  438.484    164.932  429.395    246.148  445.888    222.185  27.314  7.8826  27.746  7.2963  -0.4315968     10.74111  
1 1 1 -3  84  12 o 84.406  3.0611  3881.62    279.853  4115.17    410.956  3679.67    382.155  86.524  4.3997  81.826  4.3274  4.698174       6.171191  
1 1 1 -3  84  13 f 17.347  6.9852  83.492     201.577  -3.2313    343.497  129.046    248.952  20.114  8.6720  19.734  7.8242  0.3799915      11.67990  
1 1 1 -3  84  14 o 55.330  4.1259  1688.86    245.481  1396.49    382.438  1893.73    320.137  49.267  7.3954  58.331  5.1190  -9.064041      8.994165  
1 1 1 -3  84  15 o 45.740  5.1177  1173.12    249.189  1287.26    409.738  1106.12    313.916  46.694  8.4111  43.823  6.8368  2.870663       10.83915  
1 1 1 -3  84  16 o 62.336  4.1270  2152.55    277.063  2160.73    439.994  2147.17    356.654  61.343  6.7330  61.778  5.3840  -0.4347725     8.620970  
1 1 1 -3  84  17 o 68.539  3.9116  2603.46    289.171  2771.03    463.150  2496.40    370.191  69.539  6.2147  66.543  5.1771  2.996368       8.088580  
1 1 1 -3  84  18 o 35.929  2.0585  705.616    79.774   1048.95    397.528  691.209    81.430   40.940  9.1903  35.548  2.1247  5.391823       9.432706  
1 1 1 -3  84  19 o 114.465 3.5515  7236.98    440.302  7591.49    671.245  6969.25    583.332  115.805 5.3516  111.403 4.8345  4.402916       7.211905  
1 1 1 -3  84  20 o 104.028 3.4886  5985.34    393.073  6265.27    599.590  5774.37    520.534  104.904 5.2941  101.285 4.7450  3.619598       7.109359  
1 1 1 -3  84  21 o 61.675  4.7362  2160.15    313.962  2354.43    549.852  2066.17    382.435  61.459  8.4866  59.479  6.0193  1.979866       10.40452  
1 1 1 -3  84  22 o 22.256  7.6311  291.645    221.763  -43.4829   460.803  392.657    252.986  21.106  9.5196  25.135  8.1398  -4.029245      12.52514  
1 1 1 -3  85  1  o 84.906  2.8212  3917.21    259.445  3746.83    369.164  4083.49    364.700  82.882  4.1123  86.558  3.8901  -3.675880      5.660753  
1 1 1 -3  85  2  o 48.112  3.1865  1264.46    165.111  1386.16    242.842  1159.84    225.164  50.176  4.5169  45.848  4.5961  4.327721       6.444133  
1 1 1 -3  85  3  o 109.839 2.9123  6557.79    346.474  6951.80    497.015  6185.30    483.251  112.894 4.0647  106.465 4.1908  6.429543       5.838207  
1 1 1 -3  85  4  o 39.333  3.9821  852.204    167.306  873.259    228.507  827.875    245.634  39.530  5.4848  38.326  6.1234  1.203606       8.220655  
1 1 1 -3  85  5  o 10.007  4.7515  -171.6427  139.336  -185.4830  179.462  -150.6371  221.088  11.782  5.5324  14.036  6.4324  -2.254233      8.484271  
1 1 1 -3  85  6  o 118.808 3.0501  7678.44    392.494  7340.15    558.997  8007.40    551.224  115.869 4.4542  121.083 4.2031  -5.214752      6.124265  
1 1 1 -3  85  7  o 77.497  2.9744  3266.96    249.661  3209.18    358.626  3321.29    347.773  76.496  4.3464  77.870  4.1383  -1.373901      6.001392  
1 1 1 -3  85  8  o 27.933  5.4163  443.162    157.950  563.656    227.369  330.778    219.584  31.287  6.8953  24.350  7.5461  6.937418       10.22198  
1 1 1 -3  85  9  o 97.612  2.9896  5185.78    316.073  4879.53    443.379  5502.23    450.701  94.428  4.3352  100.316 4.1481  -5.888359      6.000034  
1 1 1 -3  85  10 o 50.026  3.4954  1371.72    188.202  1295.21    270.123  1443.90    262.362  48.236  5.2554  51.068  4.7996  -2.832317      7.117233  
1 1 1 -3  85  11 o 111.516 3.0466  6774.12    367.974  6746.10    527.452  6800.70    513.612  110.937 4.3897  111.426 4.2558  -0.4883728     6.114019  
1 1 1 -3  85  12 o 54.063  3.6050  1603.49    209.884  1783.83    318.722  1465.41    278.891  56.644  5.2548  51.340  5.0821  5.303829       7.310361  
1 1 1 -3  85  13 o 84.374  3.3520  3887.62    306.324  4182.01    465.161  3662.20    407.047  86.949  4.9599  81.459  4.6327  5.489616       6.786924  
1 1 1 -3  85  14 o 77.641  3.6005  3300.49    302.778  3478.65    490.704  3190.96    384.754  78.838  5.7871  75.913  4.7026  2.925087       7.456843  
1 1 1 -3  85  15 o 27.355  7.3891  442.365    224.084  494.590    354.851  407.725    288.997  29.139  9.6511  26.639  8.7042  2.500000       12.99647  
1 1 1 -3  85  16 o 115.821 3.4578  7371.22    433.774  6810.33    648.909  7824.32    583.231  110.161 5.4386  118.711 4.5361  -8.550476      7.081951  
1 1 1 -3  85  17 o 95.476  3.4813  5019.04    360.005  4939.24    550.004  5078.85    476.185  93.463  5.4569  95.456  4.6057  -1.993858      7.140805  
1 1 1 -3  85  18 o 26.274  1.2249  374.671    34.857   164.241    380.995  376.447    35.004   22.763  9.4346  26.336  1.2272  -3.572777      9.514113  
1 1 1 -3  85  19 o 23.995  7.8536  340.058    235.236  129.989    411.942  441.706    286.551  22.709  9.6359  26.893  8.6581  -4.184210      12.95427  
1 1 1 -3  85  20 o 23.537  7.9191  326.933    238.769  532.859    416.068  225.815    291.557  29.134  10.416  21.880  8.5298  7.254610       13.46320  
1 1 1 -3  85  21 o 45.973  6.1793  1247.61    299.897  1168.13    508.304  1290.04    371.432  40.834  11.170  45.718  7.7798  -4.883991      13.61235  
1 1 1 -3  85  22 o 56.832  2.3443  1769.20    144.306  1437.14    524.043  1796.45    150.109  45.620  10.777  57.246  2.4210  -11.62680      11.04582  
1 1 1 -3  86  1  o 145.531 3.2456  11524.12   511.591  11443.55   723.390  11604.74   723.607  144.672 4.6165  145.697 4.5855  -1.024597      6.506835  
1 1 1 -3  86  2  o 36.409  4.1798  732.849    161.840  797.679    232.972  672.385    224.990  37.650  5.9075  34.421  6.2657  3.228798       8.611544  
1 1 1 -3  86  3  o 13.305  5.4561  33.391     125.639  33.295     187.715  33.468     169.099  15.845  6.5994  15.133  6.2799  0.7120419      9.109830  
1 1 1 -3  86  4  o 118.867 3.0192  7685.11    388.711  7479.88    552.836  7885.77    546.657  116.993 4.3628  120.165 4.2002  -3.172005      6.056014  
1 1 1 -3  86  5  o 14.300  5.7141  57.079     133.749  51.455     189.801  62.628     188.506  16.306  6.6988  16.510  6.7167  -0.2033043     9.486201  
1 1 1 -3  86  6  o 74.090  3.0076  2986.48    241.356  2987.24    339.172  2985.70    343.528  73.810  4.2607  73.779  4.3177  0.3129578E-01  6.066010  
1 1 1 -3  86  7  o 45.202  3.7246  1122.05    180.727  955.768    262.196  1272.56    249.454  41.200  6.0565  47.937  4.8722  -6.737141      7.772974  
1 1 1 -3  86  8  o 125.426 3.1134  8565.71    422.953  8746.35    600.714  8388.12    595.610  126.405 4.3877  123.773 4.4429  2.632454       6.244267  
1 1 1 -3  86  9  f 56.398  3.4076  1740.60    207.177  1813.00    288.298  1663.29    297.925  57.304  4.6860  54.778  5.0792  2.525883       6.910667  
1 1 1 -3  86  10 o 17.010  6.2270  131.067    149.818  151.230    218.086  113.047    206.166  19.438  7.4301  18.196  7.1499  1.241659       10.31156  
1 1 1 -3  86  11 o 115.809 3.0917  7308.45    387.797  7002.06    555.227  7600.29    541.872  112.953 4.5384  117.776 4.2479  -4.822960      6.216231  
1 1 1 -3  86  12 o 91.293  3.0985  4544.74    306.379  4470.53    441.951  4613.41    425.111  90.080  4.5444  91.695  4.2804  -1.614548      6.242909  
1 1 1 -3  86  13 o 47.243  4.5025  1239.09    227.603  960.374    353.978  1435.54    297.179  40.323  8.3785  50.590  5.5128  -10.26676      10.02949  
1 1 1 -3  86  14 o 26.987  7.3669  428.650    221.368  327.862    351.739  494.753    284.857  25.674  9.5167  28.901  8.5202  -3.226881      12.77348  
1 1 1 -3  86  15 f 84.925  3.4735  3959.68    319.497  3832.63    479.090  4061.44    428.760  82.610  5.3839  85.433  4.6511  -2.823112      7.114730  
1 1 1 -3  86  16 o 38.664  6.0607  865.772    245.459  1355.43    402.636  576.153    309.655  47.510  8.1159  30.614  8.8430  16.89616       12.00282  
1 1 1 -3  86  17 o 39.402  5.8648  897.536    242.660  707.621    377.065  1031.79    317.035  33.430  9.7876  41.636  7.2962  -8.205097      12.20790  
1 1 1 -3  86  18 o 21.948  7.6436  267.072    222.908  48.121     363.607  398.907    282.145  20.648  8.9121  25.879  8.6075  -5.231340      12.39009  
1 1 1 -3  86  19 o 51.856  4.8495  1526.22    269.214  1408.47    454.243  1589.98    334.242  47.146  9.2258  52.318  6.0075  -5.171288      11.00935  
1 1 1 -3  86  20 o 32.417  1.8629  574.659    65.134   627.922    432.558  573.423    65.885   30.905  10.654  32.378  1.8869  -1.473839      10.82009  
1 1 1 -3  86  21 o 70.609  4.7554  2834.34    361.560  2207.95    670.782  3090.85    429.254  56.442  11.366  73.211  5.4525  -16.76865      12.60596  
1 1 1 -3  86  22 o 18.712  7.8713  88.831     271.076  0.0000     0.0000   88.831     271.076  ?       ?       18.712  7.8713  0.000000       7.871257  
1 1 1 -3  87  1  o 44.547  3.4245  1087.05    163.965  946.403    227.745  1238.40    236.251  41.219  5.2182  47.349  4.6674  -6.130291      7.001042  
1 1 1 -3  87  2  o 76.180  2.8715  3155.45    236.925  3317.47    351.140  3020.04    321.009  77.828  4.1809  74.282  4.0047  3.545982       5.789469  
1 1 1 -3  87  3  o 101.912 2.8912  5647.76    319.129  5389.89    458.238  5890.62    444.699  99.319  4.2598  103.895 3.9519  -4.575333      5.810605  
1 1 1 -3  87  4  o 30.830  4.6805  531.805    151.380  696.165    228.354  402.946    202.194  35.013  6.2508  26.478  6.9591  8.535210       9.354213  
1 1 1 -3  87  5  o 78.616  2.9458  3362.08    250.831  3182.10    362.214  3527.92    347.688  76.148  4.4106  80.381  3.9936  -4.232948      5.949979  
1 1 1 -3  87  6  o 10.913  5.0338  -107.5425  138.454  71.186     205.184  -256.9554  187.603  17.254  7.0122  11.281  5.3999  5.973093       8.850428  
1 1 1 -3  87  7  o 96.389  2.9880  5056.80    311.949  5081.13    452.467  5034.76    430.666  96.354  4.3356  95.957  4.1437  0.3970795      5.997316  
1 1 1 -3  87  8  o 53.957  3.4896  1594.47    202.846  1374.58    299.262  1781.36    275.895  49.608  5.6716  56.838  4.5189  -7.230408      7.251752  
1 1 1 -3  87  9  o 86.782  3.0160  4101.31    283.489  3940.43    396.830  4268.98    405.127  84.705  4.3400  88.301  4.2360  -3.595688      6.064586  
1 1 1 -3  87  10 f 57.689  3.2956  1820.67    205.070  1629.41    294.566  2000.55    285.664  54.180  5.0789  60.250  4.4081  -6.069660      6.725130  
1 1 1 -3  87  11 o 130.575 3.1975  9299.79    452.211  9278.11    647.898  9320.40    631.466  129.926 4.6041  130.274 4.4753  -0.3485870     6.420719  
1 1 1 -3  87  12 o 189.917 3.8549  19759.82   792.952  19856.54   1127.74  19665.25   1115.17  189.258 5.5016  188.372 5.4658  0.8856049      7.755142  
1 1 1 -3  87  13 o 79.029  3.4494  3418.92    295.262  3807.00    439.216  3098.94    398.826  82.801  4.9196  74.662  4.9601  8.138992       6.986045  
1 1 1 -3  87  14 f 45.977  5.0755  1189.35    248.534  1157.49    363.138  1217.41    340.878  44.247  7.8655  45.738  7.1121  -1.490723      10.60415  
1 1 1 -3  87  15 o 26.005  7.5605  402.539    225.693  47.673     358.506  635.507    290.478  20.769  8.9054  32.300  8.2681  -11.53014      12.15189  
1 1 1 -3  87  16 o 30.579  7.3143  562.389    238.996  529.806    396.007  581.056    299.737  29.677  10.196  30.735  8.6427  -1.058489      13.36640  
1 1 1 -3  87  17 o 50.271  4.9165  1428.68    264.268  1006.97    424.093  1696.38    337.891  39.671  9.9013  54.375  5.8282  -14.70327      11.48924  
1 1 1 -3  87  18 o 23.989  7.8994  338.296    237.854  437.759    417.221  290.406    289.507  27.704  10.346  23.377  8.6401  4.326590       13.47918  
1 1 1 -3  87  19 o 67.255  4.1631  2533.04    301.768  2559.57    506.118  2518.40    375.891  65.489  7.2573  66.410  5.2691  -0.9211960     8.968391  
1 1 1 -3  87  20 o 70.636  4.3291  2808.44    329.601  2592.84    526.791  2947.13    422.521  65.393  7.5782  71.552  5.4939  -6.159378      9.360111  
1 1 1 -3  87  21 o 54.229  5.3889  1698.72    312.332  1813.91    530.320  1637.55    386.470  52.733  9.6403  52.145  7.0212  0.5876541      11.92612  
1 1 1 -3  88  1  o 53.245  3.0861  1547.84    177.212  1310.12    252.823  1777.44    248.466  48.661  4.8621  56.912  4.0574  -8.251167      6.332634  
1 1 1 -3  88  2  o 10.514  4.7692  -67.8274   117.584  -147.1775  184.562  -13.6163   152.551  12.522  5.7885  13.383  5.7744  -0.8603926     8.176234  
1 1 1 -3  88  3  o 35.377  3.9203  691.360    147.691  832.228    223.752  582.602    196.604  38.526  5.5200  32.033  5.8834  6.493038       8.067530  
1 1 1 -3  88  4  o 123.563 3.0611  8309.69    409.667  8402.06    583.296  8219.77    575.496  123.936 4.3453  122.587 4.3344  1.348709       6.137499  
1 1 1 -3  88  5  o 75.472  2.9237  3099.23    238.995  2792.52    339.024  3402.23    336.966  71.295  4.4120  78.924  3.9419  -7.628937      5.916462  
1 1 1 -3  88  6  o 109.808 2.9928  6563.31    355.946  6526.58    506.556  6599.13    500.271  109.210 4.2825  109.835 4.2053  -0.6256485     6.002007  
1 1 1 -3  88  7  o 127.559 3.1587  8863.56    436.410  8696.72    625.581  9021.73    609.103  125.946 4.5859  128.346 4.3816  -2.400230      6.342679  
1 1 1 -3  88  8  o 146.168 3.3173  11647.68   525.175  11864.01   749.373  11438.89   736.220  147.026 4.7058  144.366 4.7084  2.659286       6.656842  
1 1 1 -3  88  9  o 70.251  3.2203  2690.36    245.028  2598.00    348.948  2780.18    344.146  68.621  4.7237  71.058  4.4947  -2.436607      6.520473  
1 1 1 -3  88  10 o 11.126  5.1690  -129.3487  149.970  -41.1461   230.529  -194.0656  197.467  15.958  6.9889  12.422  5.8235  3.535890       9.097111  
1 1 1 -3  88  11 o 41.672  4.7313  968.111    209.763  813.347    331.473  1071.49    270.908  37.082  8.4424  43.543  5.8958  -6.461544      10.29735  
1 1 1 -3  88  12 o 94.450  3.2637  4876.09    333.875  4935.30    473.235  4817.41    471.115  94.585  4.6194  93.435  4.6553  1.149841       6.558266  
1 1 1 -3  88  13 o 20.457  7.3835  207.965    209.566  339.069    322.812  112.464    275.516  25.421  9.1656  19.903  8.1114  5.517429       12.23943  
1 1 1 -3  88  14 o 29.529  7.0379  518.521    221.907  510.357    343.274  524.383    290.850  29.207  9.4837  29.442  8.5894  -0.2347412     12.79522  
1 1 1 -3  88  15 o 70.888  3.9016  2783.08    298.411  2181.65    470.341  3188.28    386.063  61.079  7.2514  75.495  4.7455  -14.41648      8.666143  
1 1 1 -3  88  16 o 41.231  5.8010  979.547    251.895  1277.94    416.592  807.579    316.258  45.647  8.7444  36.328  8.2285  9.319069       12.00721  
1 1 1 -3  88  17 o 58.735  2.6932  1888.74    171.332  1719.17    444.614  1918.31    185.672  53.458  7.9184  59.143  2.8985  -5.684959      8.432269  
1 1 1 -3  88  18 o 54.870  4.5697  1697.51    269.108  1688.57    425.714  1703.46    347.299  52.936  7.6466  54.201  6.0175  -1.265186      9.730418  
1 1 1 -3  88  19 o 16.163  7.2687  -76.1875   266.342  -72.9218   466.072  -77.7712   324.558  21.203  9.5676  17.833  8.0214  3.369722       12.48523  
1 1 1 -3  88  20 o 18.804  7.9056  86.721     273.210  222.997    478.571  20.834     332.765  24.664  10.421  19.246  8.4136  5.418903       13.39373  
1 1 1 -3  88  21 o 15.971  7.1826  -70.3701   260.086  -338.6701  413.461  105.315    334.573  17.443  8.2539  20.474  8.6855  -3.031176      11.98185  
1 1 1 -3  89  1  o 38.786  4.0708  830.747    168.459  676.437    233.816  997.307    242.920  34.417  6.5109  42.247  5.4349  -7.830307      8.481154  
1 1 1 -3  89  2  o 14.668  5.6975  75.520     129.713  257.588    193.581  -72.8373   174.744  21.844  7.1232  13.237  5.9250  8.606980       9.265306  
1 1 1 -3  89  3  o 85.058  2.8290  3935.45    260.629  4092.81    377.232  3791.74    360.508  86.547  4.0243  83.308  3.9954  3.238770       5.670779  
1 1 1 -3  89  4  o 88.486  2.9358  4260.94    281.362  3906.85    405.662  4589.19    390.580  84.350  4.4561  91.655  3.9345  -7.304619      5.944446  
1 1 1 -3  89  5  o 76.751  3.0236  3206.91    251.349  2928.67    356.800  3481.02    354.137  72.971  4.5369  79.682  4.1174  -6.711166      6.126716  
1 1 1 -3  89  6  o 59.045  3.1915  1904.85    203.348  1891.94    291.341  1917.11    283.957  58.561  4.6311  58.986  4.4780  -0.4254532     6.442041  
1 1 1 -3  89  7  o 94.748  2.9780  4887.74    305.607  4838.57    437.866  4934.44    426.735  93.998  4.3008  94.961  4.1490  -0.9631805     5.975911  
1 1 1 -3  89  8  o 36.610  4.4475  745.381    172.730  850.347    249.840  649.271    239.069  38.714  6.1652  33.565  6.8089  5.148746       9.185364  
1 1 1 -3  89  9  o 103.089 3.0697  5792.84    342.749  5682.06    486.048  5902.42    483.404  101.748 4.4105  103.735 4.3024  -1.987633      6.161419  
1 1 1 -3  89  10 o 44.513  4.2543  1097.19    202.613  1137.57    335.946  1074.11    254.010  44.461  7.2243  43.723  5.4844  0.7374878      9.070230  
1 1 1 -3  89  11 o 52.482  4.1408  1522.46    233.464  1740.75    353.073  1352.87    311.211  55.569  5.9593  48.902  6.0016  6.666595       8.457669  
1 1 1 -3  89  12 o 33.422  5.9504  642.821    207.503  633.645    305.966  650.636    282.360  32.458  8.5749  33.020  7.9831  -0.5620575     11.71575  
1 1 1 -3  89  13 o 29.304  6.9921  509.173    218.832  365.351    336.866  614.175    287.835  26.028  9.3655  31.865  8.2686  -5.836866      12.49329  
1 1 1 -3  89  14 o 23.908  7.5561  332.161    219.021  -40.1850   341.311  592.826    285.574  19.123  8.4353  31.189  8.3056  -12.06618      11.83796  
1 1 1 -3  89  15 o 68.612  3.9167  2609.40    289.856  3033.31    454.139  2318.00    376.522  73.030  5.7888  63.946  5.4896  9.084248       7.977830  
1 1 1 -3  89  16 o 25.324  8.3431  377.758    265.314  892.391    455.043  112.703    326.566  36.948  10.733  20.838  8.6937  16.11083       13.81262  
1 1 1 -3  89  17 o 43.249  2.4260  1025.46    113.184  1393.98    433.102  998.452    117.259  47.433  8.7527  42.646  2.5503  4.786915       9.116684  
1 1 1 -3  89  18 o 16.960  7.3172  17.211     244.890  -47.3115   399.135  56.164     310.123  20.121  8.9841  19.363  8.2920  0.7582264      12.22587  
1 1 1 -3  89  19 o 45.317  6.1625  1207.63    294.627  1444.51    502.777  1083.75    363.597  46.676  10.228  41.569  8.3653  5.106403       13.21303  
1 1 1 -3  89  20 o 25.202  8.6093  385.355    282.244  605.557    491.365  276.925    344.801  30.485  11.258  23.569  9.2512  6.916073       14.57173  
1 1 1 -3  90  1  o 65.675  2.9995  2347.72    213.365  2052.05    313.083  2604.12    291.553  60.984  4.7782  68.936  3.9210  -7.952278      6.181036  
1 1 1 -3  90  2  o 148.133 3.2878  11956.54   527.507  12228.35   753.271  11694.97   738.950  149.348 4.6567  146.049 4.6714  3.299072       6.595971  
1 1 1 -3  90  3  o 122.313 3.0907  8146.36    409.449  8100.65    581.965  8191.16    576.174  121.623 4.4179  122.322 4.3489  -0.6986313     6.199226  
1 1 1 -3  90  4  o 53.576  3.3302  1570.39    192.289  1485.77    267.664  1660.64    276.424  51.814  4.8250  54.830  4.7001  -3.016712      6.735822  
1 1 1 -3  90  5  o 77.934  3.0388  3307.27    256.511  3150.34    364.236  3461.69    361.305  75.698  4.4622  79.425  4.2151  -3.727196      6.138271  
1 1 1 -3  90  6  o 74.208  2.9797  2998.54    239.492  3142.81    343.218  2861.63    334.343  75.656  4.2051  72.159  4.2974  3.496475       6.012482  
1 1 1 -3  90  7  o 115.231 3.0620  7234.76    382.160  6872.42    544.786  7585.81    536.228  111.916 4.4943  117.676 4.2072  -5.759979      6.156216  
1 1 1 -3  90  8  o 114.258 3.0749  7116.73    380.533  6983.71    545.915  7242.45    530.717  112.774 4.4694  114.915 4.2640  -2.141190      6.177112  
1 1 1 -3  90  9  o 10.812  5.1486  -208.2538  165.902  -34.9977   247.379  -349.8685  223.652  16.626  7.2619  11.832  5.7219  4.794717       9.245242  
1 1 1 -3  90  10 o 39.480  5.1449  876.535    214.775  1276.68    330.034  582.594    282.867  47.272  6.6280  31.339  8.2285  15.93397       10.56594  
1 1 1 -3  90  11 o 64.188  3.7034  2268.06    256.372  2075.77    384.409  2422.11    344.066  60.629  5.9298  65.964  4.8497  -5.335590      7.660441  
1 1 1 -3  90  12 o 74.205  3.4201  3020.63    274.883  3087.28    399.504  2960.71    378.807  74.331  4.9912  72.858  4.8277  1.473679       6.943994  
1 1 1 -3  90  13 o 18.523  7.2477  133.258    211.083  102.937    327.650  154.771    275.988  20.890  8.7112  20.588  8.2142  0.3022404      11.97321  
1 1 1 -3  90  14 o 51.436  4.5422  1481.37    250.451  1406.18    384.797  1536.63    329.891  48.761  7.5284  51.785  5.9923  -3.024090      9.622067  
1 1 1 -3  90  15 o 56.171  4.3654  1763.44    263.498  2154.40    409.971  1488.26    343.948  61.157  6.2784  50.668  6.4108  10.48812       8.973072  
1 1 1 -3  90  16 o 53.587  4.7752  1619.50    274.249  1556.84    454.569  1655.36    343.884  50.386  8.6405  53.565  6.0324  -3.178715      10.53797  
1 1 1 -3  90  17 o 6.1560  2.6903  -7.0508    33.995   -365.8206  394.400  -4.3653    34.122   16.949  8.0323  6.2860  2.7216  10.66330       8.480870  
1 1 1 -3  90  18 o 22.006  8.0636  259.611    251.310  407.934    410.230  170.507    317.958  26.864  10.209  21.372  8.7122  5.491936       13.42115  
1 1 1 -3  90  19 o 18.846  7.7883  106.705    258.544  334.200    425.510  -26.4385   325.525  25.658  10.211  18.482  8.1910  7.175823       13.09056  
1 1 1 -3  91  1  o 54.612  3.4255  1632.50    201.598  1751.15    282.208  1508.85    288.089  56.322  4.6683  52.136  5.1699  4.186138       6.965703  
1 1 1 -3  91  2  o 33.796  4.8679  639.449    173.047  637.921    253.827  640.776    236.538  33.202  7.2605  33.385  6.7731  -0.1826019     9.929271  
1 1 1 -3  91  3  o 31.776  4.6410  565.012    155.021  387.673    228.019  717.427    211.389  26.036  7.6079  35.644  5.6651  -9.607861      9.485447  
1 1 1 -3  91  4  f 28.356  5.2843  456.504    156.323  482.804    235.716  435.855    208.861  28.835  7.4827  27.442  7.0036  1.392586       10.24900  
1 1 1 -3  91  5  o 30.026  5.3569  511.330    167.823  281.091    240.703  729.128    234.109  23.170  7.9500  35.760  6.2731  -12.59067      10.12690  
1 1 1 -3  91  6  o 64.549  3.2500  2278.03    226.491  2228.89    324.745  2324.57    316.047  63.504  4.7559  64.921  4.5229  -1.417572      6.563183  
1 1 1 -3  91  7  o 66.509  3.1159  2412.07    224.460  2399.08    321.672  2424.40    313.359  65.930  4.5321  66.318  4.3874  -0.3875427     6.307871  
1 1 1 -3  91  8  o 81.723  3.1250  3643.97    276.605  3536.03    392.426  3750.54    389.943  80.049  4.5449  82.503  4.3795  -2.453781      6.311583  
1 1 1 -3  91  9  o 71.106  3.4049  2765.38    262.229  2446.20    369.649  3088.73    372.059  66.257  5.1925  74.705  4.6210  -8.447395      6.950909  
1 1 1 -3  91  10 o 44.888  4.7113  1125.80    225.640  1489.48    342.778  847.700    299.742  51.130  6.3245  37.955  7.5570  13.17556       9.854378  
1 1 1 -3  91  11 o 15.465  6.6230  6.6388     197.864  22.212     309.818  -4.0881    257.134  19.265  8.2700  17.293  7.4792  1.972475       11.15041  
1 1 1 -3  91  12 o 17.017  6.8811  85.244     196.501  174.694    294.658  13.602     263.701  21.419  8.5059  17.730  7.6208  3.689880       11.42048  
1 1 1 -3  91  13 o 14.158  6.3868  -87.8810   207.500  -270.2373  324.954  37.666     269.627  16.018  7.4970  18.272  7.7758  -2.253942      10.80130  
1 1 1 -3  91  14 o 14.899  6.6162  -53.2653   213.438  -240.5970  338.557  70.300     274.964  16.687  7.7572  18.931  7.9435  -2.244059      11.10287  
1 1 1 -3  91  15 o 22.497  7.7308  282.731    227.650  198.911    361.569  337.782    293.022  22.990  9.3210  24.622  8.7480  -1.631327      12.78314  
1 1 1 -3  91  16 o 45.001  5.4942  1162.87    262.233  1176.10    418.123  1154.30    336.678  43.200  9.2170  43.904  7.3392  -0.7035942     11.78207  
1 1 1 -3  91  17 o 20.481  7.5432  215.526    220.317  465.491    408.129  112.729    261.727  27.994  10.273  19.139  7.8649  8.855232       12.93811  
1 1 1 -3  91  18 o 20.566  7.9581  197.203    252.322  352.974    414.411  105.436    318.078  25.894  10.149  20.249  8.5226  5.645178       13.25258  
1 1 1 -3  91  19 o 33.988  7.5503  713.598    270.723  564.232    449.068  798.875    339.316  29.750  10.798  35.259  8.8878  -5.509773      13.98495  
1 1 1 -3  92  1  o 170.815 3.5597  15927.12   658.586  16667.09   941.191  15217.21   921.873  174.074 4.9920  166.264 5.1192  7.809830       7.150272  
1 1 1 -3  92  2  o 102.634 2.9741  5736.64    330.612  5912.69    465.277  5557.10    469.868  103.926 4.1335  100.706 4.3077  3.220108       5.970113  
1 1 1 -3  92  3  o 107.543 2.9677  6299.19    345.684  6377.76    491.833  6222.48    485.962  107.902 4.2084  106.580 4.2098  1.321999       5.952543  
1 1 1 -3  92  4  o 144.666 3.2995  11416.45   516.998  11077.04   730.557  11756.95   731.736  141.947 4.7518  146.299 4.6179  -4.352127      6.626024  
1 1 1 -3  92  5  o 89.024  3.0268  4319.27    291.849  4024.05    414.874  4608.48    410.631  85.489  4.4964  91.705  4.1342  -6.216476      6.108119  
1 1 1 -3  92  6  o 55.659  3.5068  1699.40    210.327  1652.67    284.940  1755.33    311.759  54.562  4.8729  56.155  5.1843  -1.592869      7.114910  
1 1 1 -3  92  7  o 38.351  4.5093  819.914    183.735  675.513    258.088  968.307    261.630  34.029  7.2257  41.299  6.0264  -7.270767      9.408951  
1 1 1 -3  92  8  o 23.170  6.6637  309.533    176.180  214.973    252.873  398.730    245.599  21.602  8.0569  26.239  7.9529  -4.637247      11.32089  
1 1 1 -3  92  9  o 111.634 3.2145  6816.38    388.668  6903.70    544.014  6725.35    555.485  111.821 4.4918  110.292 4.6501  1.529510       6.465211  
1 1 1 -3  92  10 o 68.888  3.5458  2611.46    263.662  2599.56    378.371  2622.68    367.611  68.130  5.1660  68.509  4.9884  -0.3795242     7.181335  
1 1 1 -3  92  11 o 23.963  7.2965  334.644    206.384  270.045    322.947  379.239    268.327  23.851  9.0595  25.625  8.3879  -1.774626      12.34631  
1 1 1 -3  92  12 f 19.534  7.2008  183.852    200.839  341.151    302.678  60.117     268.450  25.009  8.8904  18.641  7.8368  6.367907       11.85130  
1 1 1 -3  92  13 o 52.869  4.6502  1567.04    263.574  1411.36    385.187  1704.12    361.444  48.849  7.5216  54.436  6.2432  -5.587589      9.775068  
1 1 1 -3  92  14 o 50.356  4.6830  1425.95    252.491  1188.02    391.919  1594.78    330.131  44.110  8.5118  52.738  5.8796  -8.628906      10.34502  
1 1 1 -3  92  15 o 64.558  4.1737  2325.25    290.276  2434.83    462.813  2254.19    372.695  64.614  6.7111  62.872  5.5292  1.741608       8.695410  
1 1 1 -3  92  16 o 30.074  7.4665  553.055    242.085  713.924    381.995  445.081    312.954  33.231  9.8840  27.082  9.0665  6.149611       13.41250  
1 1 1 -3  92  17 f 35.882  7.0426  777.721    263.929  623.888    431.115  869.938    333.791  31.035  10.640  37.217  8.4709  -6.182119      13.60029  
1 1 1 -3  92  18 o 52.190  5.1446  1557.99    287.024  1474.28    462.380  1610.47    366.099  48.120  9.2070  52.191  6.6256  -4.070641      11.34320  
1 1 1 -3  93  1  o 75.773  3.2696  3132.17    268.336  2860.43    386.648  3384.67    372.706  71.899  4.9960  78.417  4.4060  -6.517944      6.661345  
1 1 1 -3  93  2  o 84.975  3.1332  3937.08    288.368  3502.82    420.931  4321.13    395.852  79.619  4.9051  88.805  4.1155  -9.186790      6.402906  
1 1 1 -3  93  3  o 82.967  2.9778  3751.35    267.591  3998.78    376.186  3497.93    380.715  85.429  4.0656  79.696  4.4280  5.732674       6.011379  
1 1 1 -3  93  4  o 23.895  6.2553  329.666    163.786  340.296    233.890  319.439    229.430  24.618  7.8114  23.987  7.7499  0.6309757      11.00354  
1 1 1 -3  93  5  o 61.738  3.4036  2088.97    226.720  1910.53    313.757  2283.95    327.975  58.631  4.9882  64.213  4.7494  -5.582607      6.887578  
1 1 1 -3  93  6  o 108.345 3.5489  6424.22    416.465  5701.10    721.999  6784.80    509.830  100.550 6.6674  111.098 4.2369  -10.54766      7.899712  
1 1 1 -3  93  7  o 33.185  4.9507  621.946    172.497  445.243    234.720  829.452    254.357  27.519  7.6164  37.972  6.4130  -10.45325      9.956687  
1 1 1 -3  93  8  o 84.050  3.1989  3864.49    291.214  3934.22    423.815  3802.13    400.823  84.211  4.6649  82.856  4.4831  1.354164       6.469829  
1 1 1 -3  93  9  o 95.179  3.2000  4960.42    329.884  4184.33    467.444  5730.46    465.615  86.598  5.0050  101.887 4.2193  -15.28863      6.546187  
1 1 1 -3  93  10 o 48.087  4.3922  1290.00    226.233  1088.31    324.516  1480.71    315.556  43.074  7.2107  51.013  5.8151  -7.938480      9.263391  
1 1 1 -3  93  11 o 36.639  5.7080  770.977    219.140  805.844    341.867  746.658    285.513  36.270  8.7935  35.307  7.6843  0.9627953      11.67797  
1 1 1 -3  93  12 o 61.496  2.6154  2065.76    174.202  2017.59    372.576  2079.23    197.069  59.510  5.8562  61.624  2.9526  -2.113625      6.558414  
1 1 1 -3  93  13 o 71.721  3.7524  2845.92    290.475  2540.36    435.377  3091.06    389.953  66.598  6.1037  74.222  4.8779  -7.623711      7.813422  
1 1 1 -3  93  14 o 15.125  6.7394  -59.1283   223.361  -121.7160  356.270  -18.5961   286.705  18.402  8.3286  17.778  7.7898  0.6239662      11.40378  
1 1 1 -3  93  15 o 43.654  5.6158  1097.58    259.370  1384.21    418.619  918.986    330.437  47.486  8.4489  38.664  8.1477  8.822060       11.73749  
1 1 1 -3  93  16 o 22.220  7.8752  273.280    237.329  286.530    377.005  264.582    305.446  24.480  9.6528  23.004  8.7932  1.475918       13.05749  
1 1 1 -3  93  17 o 53.571  5.0207  1634.96    287.922  1432.76    464.482  1761.14    366.921  47.370  9.3848  54.876  6.2868  -7.505402      11.29598  
1 1 1 -3  93  18 o 20.176  8.1062  159.270    270.792  103.136    421.086  198.855    353.607  22.347  9.6182  22.496  9.1810  -0.1489544     13.29661  
1 1 1 -3  94  1  o 48.815  4.0898  1315.90    214.239  1390.78    337.933  1265.57    277.024  49.511  6.4552  47.500  5.4854  2.011017       8.471108  
1 1 1 -3  94  2  o 52.777  3.6734  1531.54    208.673  1430.96    302.299  1623.08    288.409  50.492  5.6232  54.005  4.9870  -3.512203      7.516015  
1 1 1 -3  94  3  o 33.795  5.6230  649.909    198.589  795.202    288.479  519.033    273.792  36.896  7.4749  29.679  8.2301  7.217329       11.11796  
1 1 1 -3  94  4  o 64.810  3.4567  2303.92    241.767  2339.57    351.461  2271.88    333.096  64.853  5.0432  63.968  4.8436  0.8846283      6.992489  
1 1 1 -3  94  5  o 88.291  3.0115  4255.54    287.981  4081.70    409.707  4425.30    404.869  85.968  4.4150  89.708  4.1669  -3.739639      6.070862  
1 1 1 -3  94  6  f 117.785 3.1341  7583.01    399.828  6997.12    567.265  8161.43    563.637  112.519 4.6547  121.712 4.2756  -9.192986      6.320355  
1 1 1 -3  94  7  o 81.437  3.1140  3627.01    274.672  3219.42    374.787  4099.95    403.715  76.171  4.5638  86.084  4.3440  -9.912415      6.300690  
1 1 1 -3  94  8  o 73.046  3.3800  2925.61    267.414  2789.02    384.408  3053.69    372.247  70.618  5.0593  74.082  4.6631  -3.463387      6.880470  
1 1 1 -3  94  9  o 127.251 3.3103  8879.07    456.243  9148.24    655.381  8625.96    635.527  128.351 4.7144  124.638 4.7077  3.713280       6.662442  
1 1 1 -3  94  10 o 66.573  2.6681  2420.32    192.382  2295.40    367.546  2467.46    225.781  63.823  5.3667  67.118  3.1058  -3.294842      6.200655  
1 1 1 -3  94  11 o 48.010  4.5541  1290.89    233.978  1487.91    362.866  1150.67    306.115  50.617  6.7899  44.532  6.5416  6.085499       9.428497  
1 1 1 -3  94  12 o 25.806  7.3863  397.515    216.928  150.171    346.534  556.899    278.175  22.001  9.0463  30.208  8.2633  -8.207394      12.25226  
1 1 1 -3  94  13 o 32.296  1.3255  566.234    46.366   15.651     352.667  575.918    46.772   20.060  8.7175  32.571  1.3258  -12.51048      8.817710  
1 1 1 -3  94  14 o 43.109  5.8001  1073.12    263.940  983.040    397.428  1144.21    353.039  39.363  9.4430  43.531  7.7729  -4.168594      12.23062  
1 1 1 -3  94  15 o 40.376  6.3913  958.867    270.196  931.833    477.168  971.627    327.814  37.286  11.037  39.884  7.8680  -2.598663      13.55442  
1 1 1 -3  94  16 o 85.376  3.6619  4037.96    338.621  4081.19    519.672  4006.06    446.401  84.317  5.7244  84.157  4.9188  0.1595230      7.547368  
1 1 1 -3  94  17 o 38.078  6.9883  872.386    277.592  706.592    423.947  996.816    367.273  32.695  10.532  39.712  8.7728  -7.017166      13.70692  
1 1 1 -3  95  1  f 42.474  4.9510  1010.53    223.490  1180.80    324.228  856.404    308.485  45.340  6.8129  38.173  7.7264  7.167747       10.30112  
1 1 1 -3  95  2  o 25.272  6.5770  372.298    181.766  -6.6304    278.231  654.432    240.079  18.017  7.7861  33.517  6.8448  -15.50007      10.36702  
1 1 1 -3  95  3  o 29.785  5.7734  510.605    179.526  559.148    262.526  467.965    246.049  30.701  7.8610  28.166  7.7990  2.534983       11.07338  
1 1 1 -3  95  4  o 88.382  3.3577  4275.79    321.421  3876.90    475.632  4611.08    436.059  83.346  5.2964  91.431  4.4033  -8.085617      6.887711  
1 1 1 -3  95  5  o 52.992  3.8665  1551.35    220.391  1757.66    322.211  1369.96    302.118  55.928  5.3857  49.177  5.7826  6.751606       7.902146  
1 1 1 -3  95  6  o 125.193 3.1832  8578.83    431.636  8578.51    617.055  8579.15    604.006  124.489 4.5764  124.551 4.4774  -0.6239319E-01 6.402359  
1 1 1 -3  95  7  o 118.427 3.2020  7680.81    410.709  7693.29    579.395  7668.21    582.278  117.862 4.5387  117.652 4.5694  0.2099915      6.440463  
1 1 1 -3  95  8  o 133.902 3.3095  9829.58    479.979  10014.75   683.438  9649.35    674.240  134.330 4.6974  131.840 4.7217  2.489899       6.660308  
1 1 1 -3  95  9  o 92.415  3.2893  4683.59    329.240  5012.28    481.162  4394.19    451.484  94.999  4.6763  88.819  4.7100  6.179955       6.637180  
1 1 1 -3  95  10 o 80.502  3.3470  3557.74    291.832  3511.58    417.268  3601.94    408.303  79.238  4.8858  80.343  4.7127  -1.104446      6.788277  
1 1 1 -3  95  11 o 22.200  7.4899  274.876    213.595  436.402    305.007  119.427    299.215  27.176  8.9451  20.434  8.4045  6.741762       12.27402  
1 1 1 -3  95  12 o 46.319  5.1206  1216.45    252.591  1060.84    432.214  1297.17    311.281  40.904  9.8692  47.365  6.2180  -6.460541      11.66466  
1 1 1 -3  95  13 o 100.242 3.3378  5530.63    362.393  5555.99    524.979  5507.55    500.872  99.575  4.8677  99.280  4.6579  0.2944336      6.737259  
1 1 1 -3  95  14 o 84.993  3.6329  3992.71    334.429  4238.62    514.530  3812.83    440.061  86.277  5.5353  82.208  4.9656  4.069633       7.436179  
1 1 1 -3  95  15 o 46.533  5.6591  1249.99    279.346  1623.89    496.620  1076.93    337.864  50.654  9.3980  42.079  7.6968  8.574177       12.14755  
1 1 1 -3  95  16 o 42.382  5.8258  1044.12    260.353  792.328    412.003  1211.51    335.926  34.665  10.254  44.988  7.1320  -10.32238      12.49075  
1 1 1 -3  96  1  o 61.227  3.6146  2063.35    238.639  2139.48    369.204  2008.73    312.752  61.676  5.5875  60.024  4.8522  1.652832       7.400255  
1 1 1 -3  96  2  o 50.377  4.0952  1406.25    221.513  1646.17    300.437  1120.47    327.895  54.179  5.1830  43.896  7.1423  10.28342       8.824716  
1 1 1 -3  96  3  o 82.529  3.1240  3725.64    279.250  3487.35    400.966  3950.08    389.138  79.223  4.6938  84.515  4.2649  -5.292000      6.341993  
1 1 1 -3  96  4  f 94.097  3.1397  4844.75    319.991  5043.71    461.618  4660.71    443.968  95.512  4.4623  91.813  4.4646  3.698891       6.312224  
1 1 1 -3  96  5  o 27.115  7.0102  434.547    207.391  680.319    280.872  139.915    307.526  33.730  7.8376  21.154  8.5894  12.57506       11.62781  
1 1 1 -3  96  6  o 24.351  6.8025  347.690    186.326  347.827    267.868  347.561    259.348  24.883  8.3877  24.789  8.2528  0.9394264E-01  11.76699  
1 1 1 -3  96  7  o 38.215  5.3135  830.000    213.982  584.387    316.736  1036.23    290.232  31.022  8.9385  42.310  6.5446  -11.28783      11.07832  
1 1 1 -3  96  8  o 58.212  3.8509  1874.45    241.423  1787.87    352.262  1951.15    331.527  56.068  5.8887  58.875  5.2542  -2.806961      7.891993  
1 1 1 -3  96  9  o 19.320  7.1566  177.197    198.844  23.295     293.895  307.122    270.033  18.754  8.0529  23.812  8.4045  -5.057169      11.63973  
1 1 1 -3  96  10 o 28.573  7.0112  487.098    215.355  739.228    327.994  296.037    285.521  34.660  8.7391  23.720  8.6096  10.93958       12.26772  
1 1 1 -3  96  11 o 22.672  7.7625  286.278    229.460  470.671    347.469  143.679    305.564  28.156  9.5527  20.971  8.5438  7.184917       12.81609  
1 1 1 -3  96  12 o 48.942  4.8859  1353.30    255.537  1586.28    441.462  1235.90    313.374  51.234  8.2344  46.051  6.4606  5.182949       10.46632  
1 1 1 -3  96  13 o 21.054  7.5797  233.742    220.675  301.552    334.733  181.615    293.482  24.311  9.2260  21.277  8.4764  3.033621       12.52872  
1 1 1 -3  96  14 o 92.904  3.5615  4769.72    358.376  4943.28    548.025  4640.05    473.701  93.197  5.4528  90.755  4.8365  2.442528       7.288723  
1 1 1 -3  96  15 o 63.843  4.3050  2284.05    295.950  2297.05    478.421  2275.99    376.667  62.188  7.2382  63.025  5.5755  -0.8364258     9.136612  
1 1 1 -3  97  1  o 71.845  3.3677  2829.09    262.063  2699.25    377.637  2949.70    363.966  69.494  5.0517  72.836  4.6378  -3.342308      6.857762  
1 1 1 -3  97  2  o 137.930 3.3010  10423.01   493.139  9885.74    700.778  10950.06   694.080  133.441 4.8487  140.642 4.5564  -7.201614      6.653598  
1 1 1 -3  97  3  o 108.620 3.1839  6459.08    374.583  6522.13    529.469  6395.91    530.011  108.566 4.5027  107.484 4.5527  1.081253       6.403267  
1 1 1 -3  97  4  o 45.520  4.3233  1154.44    210.593  909.981    311.605  1359.98    285.721  39.214  7.6112  49.050  5.4714  -9.836594      9.373665  
1 1 1 -3  97  5  f 24.145  6.8600  341.478    187.832  462.227    279.990  242.667    253.282  27.895  8.4997  22.097  8.0954  5.797770       11.73802  
1 1 1 -3  97  6  o 73.409  3.3353  2955.03    265.191  2939.47    383.254  2969.33    367.326  72.542  4.9067  73.015  4.6692  -0.4739075     6.773299  
1 1 1 -3  97  7  o 17.106  6.8758  90.873     194.917  171.585    263.656  -6.4074    289.455  20.683  8.0981  18.200  7.9033  2.483650       11.31552  
1 1 1 -3  97  8  f 53.334  4.2720  1584.15    244.706  1316.86    370.041  1791.88    326.219  47.264  7.4773  56.290  5.4176  -9.025303      9.233635  
1 1 1 -3  97  9  o 15.916  6.7652  22.683     203.674  227.985    290.969  -174.5534  285.195  22.348  8.5728  15.772  7.2565  6.575953       11.23164  
1 1 1 -3  97  10 o 88.167  3.5894  4282.18    342.763  4587.48    516.965  4042.69    457.876  90.213  5.3143  84.860  5.0038  5.353081       7.299327  
1 1 1 -3  97  11 o 70.278  3.9291  2740.72    297.874  2732.19    438.416  2748.04    405.969  69.134  5.9118  69.622  5.4265  -0.4880981     8.024749  
1 1 1 -3  97  12 o 35.061  6.5660  727.061    240.181  673.097    427.850  751.891    290.226  32.458  10.590  35.111  7.8310  -2.652855      13.17099  
1 1 1 -3  97  13 f 58.318  4.2065  1901.80    263.921  1844.16    392.432  1949.41    356.614  56.182  6.5734  58.284  5.7229  -2.102318      8.715519  
1 1 1 -3  97  14 o 14.898  2.4735  124.515    38.512   296.208    388.983  122.815    38.703   24.889  9.8079  14.787  2.5061  10.10206       10.12300  
1 1 1 -3  97  15 o 44.014  5.7443  1121.27    267.309  1175.14    440.204  1089.81    336.442  42.714  9.7321  42.408  7.6040  0.3060646      12.35053  
1 1 1 -3  98  1  o 47.094  4.2583  1234.15    214.860  1348.87    338.305  1156.59    278.162  48.380  6.6306  45.053  5.8377  3.326912       8.834206  
1 1 1 -3  98  2  o 98.681  3.1573  5331.08    337.454  5340.19    479.710  5322.16    474.793  98.216  4.5095  98.068  4.4700  0.1473541      6.349514  
1 1 1 -3  98  3  o 76.891  3.2383  3238.78    269.687  3149.34    390.030  3320.71    373.308  75.161  4.8164  77.336  4.4759  -2.174530      6.575068  
1 1 1 -3  98  4  o 45.326  4.5094  1148.38    218.441  1252.15    313.340  1050.27    304.686  46.666  6.3654  42.479  6.8557  4.187023       9.355151  
1 1 1 -3  98  5  o 59.912  3.7618  1982.81    242.868  1951.66    368.152  2006.81    323.162  58.624  5.8772  59.817  5.0348  -1.193714      7.738908  
1 1 1 -3  98  6  o 35.563  6.3398  735.919    235.246  615.291    327.957  863.768    337.629  31.701  9.0843  37.723  8.4709  -6.021852      12.42097  
1 1 1 -3  98  7  o 91.548  3.1975  4595.21    317.056  4379.17    450.462  4807.31    446.334  88.621  4.7099  93.114  4.4256  -4.493706      6.462936  
1 1 1 -3  98  8  o 75.063  3.6409  3102.47    296.012  3073.57    429.372  3128.64    408.643  73.808  5.4088  74.642  5.0850  -0.8339310     7.423722  
1 1 1 -3  98  9  o 31.885  6.5002  599.752    216.872  376.475    307.831  819.785    305.587  25.755  8.9817  36.813  7.9006  -11.05759      11.96203  
1 1 1 -3  98  10 o 70.305  4.0156  2745.09    304.514  2963.42    462.686  2578.26    404.458  71.989  5.9884  67.347  5.5955  4.642128       8.195757  
1 1 1 -3  98  11 o 36.508  6.9311  792.839    264.047  810.430    374.112  775.378    372.728  35.743  9.5006  34.940  9.5681  0.8030548      13.48372  
1 1 1 -3  98  12 o 58.416  4.8582  1926.40    304.589  1691.50    522.825  2047.08    374.754  51.758  9.6821  59.684  5.8733  -7.925091      11.32428  
1 1 1 -3  98  13 o 39.699  6.0187  918.432    250.678  923.312    406.791  915.445    318.294  37.820  9.8375  38.731  7.8561  -0.9115105     12.58951  
1 1 1 -3  98  14 o 69.612  4.3259  2712.54    324.544  2564.90    576.677  2780.97    392.622  64.885  8.4032  69.977  5.2178  -5.092102      9.891323  
1 1 1 -3  99  1  o 21.848  7.2166  265.892    198.457  381.468    300.830  176.836    264.070  26.002  8.8882  20.829  8.1185  5.173023       12.03786  
1 1 1 -3  99  2  o 34.198  5.5374  670.235    198.092  674.500    284.921  666.244    275.599  33.486  7.9707  33.340  7.7750  0.1461258      11.13477  
1 1 1 -3  99  3  o 56.808  3.9949  1788.18    244.235  1826.63    361.318  1755.82    331.417  56.642  5.9799  55.703  5.5678  0.9393578      8.170630  
1 1 1 -3  99  4  o 27.248  6.7763  439.597    199.148  625.958    287.110  266.797    276.467  32.146  8.2153  22.998  8.4529  9.148405       11.78741  
1 1 1 -3  99  5  o 14.289  6.4048  -74.2539   204.960  -200.7773  320.973  12.857     266.329  16.646  7.6732  17.796  7.6543  -1.150171      10.83822  
1 1 1 -3  99  6  o 31.302  6.4113  575.206    210.055  581.733    295.103  568.503    299.061  30.894  8.5359  30.540  8.6488  0.3542118      12.15164  
1 1 1 -3  99  7  o 59.518  3.8772  1962.95    248.577  2033.03    366.749  1903.40    338.080  59.790  5.7337  57.971  5.4484  1.818977       7.909461  
1 1 1 -3  99  8  f 64.293  3.7875  2288.50    262.583  2172.83    370.586  2405.13    372.115  61.853  5.5922  65.242  5.3121  -3.389011      7.713036  
1 1 1 -3  99  9  o 23.727  7.5524  328.549    218.506  201.229    331.409  426.457    290.621  22.510  8.9945  26.769  8.7278  -4.259031      12.53299  
1 1 1 -3  99  10 o 38.749  6.1923  875.366    251.139  1007.13    375.513  768.739    337.801  40.287  8.8478  35.097  8.8794  5.190182       12.53507  
1 1 1 -3  99  11 o 32.520  7.7663  646.491    269.786  739.420    398.509  567.865    366.562  33.899  10.098  30.159  9.8005  3.739927       14.07214  
1 1 1 -3  99  12 o 18.932  7.7487  108.766    252.786  -78.9013   396.422  237.368    328.161  19.851  8.9020  22.967  9.0219  -3.115530      12.67434  
1 1 1 -3  99  13 o 48.270  5.2528  1329.69    270.192  1574.46    461.371  1201.93    333.332  50.485  8.7549  44.960  7.0792  5.525322       11.25890  
1 1 1 -3  100 1  o 58.839  3.7265  1912.73    236.257  1862.47    341.854  1958.69    326.883  57.364  5.5725  59.015  5.1660  -1.650871      7.598687  
1 1 1 -3  100 2  o 96.538  3.1892  5107.95    333.465  5282.22    478.520  4943.41    464.953  97.583  4.5275  94.391  4.5479  3.191490       6.417252  
1 1 1 -3  100 3  o 61.419  3.7143  2083.92    245.929  1876.76    350.456  2284.91    345.196  57.509  5.7015  63.811  5.0355  -6.302231      7.606766  
1 1 1 -3  100 4  o 31.322  6.4885  576.684    212.885  414.405    316.559  710.669    287.643  26.817  9.1179  34.331  7.8997  -7.514616      12.06405  
1 1 1 -3  100 5  o 45.090  4.8164  1144.73    231.578  988.877    330.474  1295.10    324.605  40.659  7.7879  47.290  6.5101  -6.631027      10.15053  
1 1 1 -3  100 6  f 53.106  4.0388  1567.81    230.566  1458.80    334.975  1665.96    317.839  50.307  6.2849  54.175  5.4927  -3.868065      8.346808  
1 1 1 -3  100 7  o 44.893  4.7112  1134.73    225.659  972.971    341.155  1260.55    300.885  40.075  8.1375  46.777  6.0828  -6.701317      10.15967  
1 1 1 -3  100 8  o 48.908  4.5560  1342.77    238.565  1169.46    337.204  1516.44    337.561  44.437  7.2566  51.264  6.2059  -6.827492      9.548379  
1 1 1 -3  100 9  o 64.548  3.9222  2313.62    272.913  2204.14    399.924  2409.04    373.358  61.964  6.0355  65.199  5.3337  -3.234634      8.054581  
1 1 1 -3  100 10 o 26.663  7.3451  429.616    218.889  516.918    365.171  380.658    273.461  29.069  9.7934  25.424  8.4748  3.645128       12.95117  
1 1 1 -3  100 11 o 34.230  7.5732  711.418    273.335  638.155    404.940  772.737    370.465  31.706  10.301  34.831  9.5393  -3.125326      14.03928  
1 1 1 -3  100 12 f 52.549  4.7652  1558.72    268.265  1620.53    382.877  1499.12    375.983  52.469  6.9051  50.330  7.0939  2.138092       9.899683  
1 1 1 -3  101 1  o 57.765  3.7906  1846.82    235.846  1738.33    342.098  1945.10    325.588  55.244  5.8041  58.757  5.1687  -3.513168      7.771952  
1 1 1 -3  101 2  o 60.361  3.6174  2012.21    235.405  2176.88    352.472  1879.61    316.285  62.122  5.2889  57.775  5.1070  4.347088       7.352157  
1 1 1 -3  101 3  o 57.396  4.1705  1832.09    257.492  2096.46    367.470  1577.06    360.916  60.779  5.6466  52.245  6.5201  8.534496       8.625287  
1 1 1 -3  101 4  o 42.605  4.9420  1025.85    223.818  822.405    340.223  1181.08    297.179  36.582  8.7115  45.232  6.2314  -8.649910      10.71076  
1 1 1 -3  101 5  o 61.023  4.0352  2067.93    265.200  2317.01    388.967  1851.55    362.526  63.856  5.6833  56.894  5.9721  6.962261       8.244201  
1 1 1 -3  101 6  o 65.996  3.8162  2412.17    271.616  2466.72    425.230  2374.57    353.017  65.666  6.0467  64.938  5.0590  0.7274628      7.883943  
1 1 1 -3  101 7  o 49.397  4.4490  1367.38    235.480  1184.93    355.849  1509.51    314.085  44.533  7.6534  51.369  5.7435  -6.836189      9.568842  
1 1 1 -3  101 8  f 19.371  7.2988  174.781    208.559  260.032    328.090  116.973    270.170  23.502  9.0801  19.597  8.0145  3.905949       12.11121  
1 1 1 -3  101 9  o 31.175  6.7413  579.780    220.997  399.555    314.131  756.393    310.967  26.205  9.0768  35.021  8.3211  -8.815918      12.31379  
1 1 1 -3  101 10 o 56.920  4.6182  1820.38    282.260  1698.40    440.056  1905.65    367.915  53.210  7.8734  57.557  5.9894  -4.347534      9.892599  
1 1 1 -3  101 11 o 33.248  7.7346  674.610    273.282  691.412    407.234  660.845    368.605  32.834  10.293  32.256  9.7355  0.5780067      14.16788  
1 1 1 -3  102 1  o 58.325  3.7695  1883.34    236.855  1666.67    368.893  2035.32    308.950  53.724  6.4697  60.255  4.7730  -6.531029      8.039842  
1 1 1 -3  102 2  o 63.473  3.8687  2231.82    264.692  2177.56    383.865  2281.00    365.475  61.843  5.7985  63.527  5.3617  -1.683895      7.897528  
1 1 1 -3  102 3  o 65.966  3.5727  2402.57    254.314  2267.19    367.642  2526.80    352.167  63.295  5.4148  67.109  4.8784  -3.814041      7.288282  
1 1 1 -3  102 4  o 33.376  6.3123  652.947    219.828  484.291    313.633  815.817    308.207  28.330  9.0515  36.690  7.9827  -8.360163      12.06869  
1 1 1 -3  102 5  f 25.707  7.7123  394.250    231.831  596.615    363.531  255.540    300.974  31.015  9.7255  23.024  8.7458  7.990955       13.07953  
1 1 1 -3  102 6  f 16.229  6.8136  42.828     202.477  263.970    318.316  -107.4504  262.405  23.453  8.9738  15.804  7.1508  7.649466       11.47447  
1 1 1 -3  102 7  o 21.014  7.6553  226.394    226.028  282.785    348.648  185.510    296.863  24.256  9.3633  21.495  8.5372  2.760265       12.67105  
1 1 1 -3  102 8  o 15.484  6.6244  14.448     197.574  122.701    293.012  -75.8048   267.545  20.245  8.3208  16.381  7.3319  3.863756       11.09017  
1 1 1 -3  102 9  f 38.188  5.6708  841.672    227.428  639.578    323.297  1039.65    319.991  31.998  8.9682  41.730  7.3481  -9.732807      11.59412  
1 1 1 -3  102 10 o 30.564  7.5561  567.929    248.719  212.343    402.571  787.452    316.309  23.914  9.7821  35.739  8.3260  -11.82504      12.84570  
1 1 1 -3  103 1  o 33.576  6.0650  657.134    212.441  495.887    299.637  820.114    301.242  28.580  8.8080  36.873  7.7871  -8.293442      11.75666  
1 1 1 -3  103 2  o 53.584  4.0862  1598.21    235.359  1834.58    379.096  1449.96    300.228  56.425  6.3112  50.430  5.5906  5.994709       8.431232  
1 1 1 -3  103 3  f 60.820  3.9067  2052.41    255.987  2065.49    390.034  2042.51    339.288  60.013  6.0846  60.093  5.2660  -0.7991409E-01 8.046911  
1 1 1 -3  103 4  o 18.427  7.4413  109.973    229.452  300.333    297.263  -170.6231  360.906  23.894  8.7677  18.034  8.2476  5.859859       12.03725  
1 1 1 -3  103 5  o 29.933  6.7643  534.179    214.139  771.435    325.794  353.714    284.139  35.329  8.5960  24.938  8.6330  10.39140       12.18271  
1 1 1 -3  103 6  o 33.300  6.4964  654.341    225.894  712.455    367.123  618.934    286.563  33.597  9.6063  31.741  8.2570  1.856531       12.66724  
1 1 1 -3  103 7  o 34.974  6.6250  722.518    241.775  667.624    370.534  763.219    319.054  32.538  9.7476  35.172  8.4752  -2.634506      12.91678  
1 1 1 -3  103 8  o 28.603  7.0777  492.092    218.074  536.049    337.263  460.510    285.875  29.496  9.3823  27.559  8.6216  1.937531       12.74202  
1 1 1 -3  104 1  o 52.574  4.2980  1544.04    242.602  1655.38    429.505  1491.87    293.991  52.746  7.7492  51.236  5.3780  1.509716       9.432518  
1 1 1 -3  104 2  o 55.136  4.4833  1701.70    265.415  1929.30    439.505  1571.05    332.991  57.313  7.2418  52.305  5.9856  5.007839       9.395245  
1 1 1 -3  104 3  o 29.179  7.2179  511.939    226.853  383.105    311.592  657.248    330.917  25.907  9.0363  32.497  9.0610  -6.589417      12.79676  
1 1 1 -3  104 4  o 19.267  7.3464  165.576    212.866  -21.1855   300.311  354.156    301.770  18.178  7.9688  25.151  8.8838  -6.972630      11.93413  
1 1 1 -3  104 5  o 57.940  4.1358  1869.64    257.833  1894.38    398.527  1851.82    338.133  57.168  6.5547  57.045  5.5427  0.1229172      8.584044  
1 1 1 -3  104 6  o 16.508  6.9974  33.208     216.861  -272.7982  325.147  278.405    291.053  15.932  7.4701  23.308  8.6535  -7.375950      11.43179  
1 1 1 -3  105 1  o 81.266  3.7144  3643.49    326.941  3512.35    521.078  3728.63    419.870  78.315  6.1936  81.599  4.7715  -3.283707      7.818467  
1 1 1 -3  105 2  o 62.618  4.3209  2186.80    291.255  2062.51    455.508  2272.76    378.810  59.291  7.2438  63.238  5.5881  -3.947437      9.148695  
1 1 1 -3  105 3  o 61.355  4.2062  2096.90    277.832  2447.02    420.911  1826.57    369.851  65.393  6.0100  56.354  6.1598  9.039116       8.605998  
1 1 1 -3  105 4  o 93.220  3.4318  4781.98    346.497  4488.37    502.497  5048.13    478.430  89.252  5.2209  95.155  4.6421  -5.902771      6.986184  
1 1 1 -2  0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  0   4  o 383.514 13.150  80052.98   5447.57  80052.98   5447.57  80052.98   5447.57  383.514 13.150  383.514 13.150  0.000000       0.000000  
1 1 1 -2  0   5  o 158.384 4.6514  13623.03   796.370  13623.03   796.370  13623.03   796.370  158.384 4.6514  158.384 4.6514  0.000000       0.000000  
1 1 1 -2  0   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  0   7  o 249.451 6.4144  33788.45   1730.46  33788.45   1730.46  33788.45   1730.46  249.451 6.4144  249.451 6.4144  -0.000000      0.000000  
1 1 1 -2  0   8  o 416.255 9.9926  94159.94   4499.29  94159.94   4499.29  94159.94   4499.29  416.255 9.9926  416.255 9.9926  0.000000       0.000000  
1 1 1 -2  0   9  f 30.154  4.1922  520.329    129.354  520.329    129.354  520.329    129.354  30.154  4.1922  30.154  4.1922  -0.000000      0.000000  
1 1 1 -2  0   10 o 194.087 5.3212  20451.58   1116.71  20451.58   1116.71  20451.58   1116.71  194.087 5.3212  194.087 5.3212  0.000000       0.000000  
1 1 1 -2  0   11 o 216.676 6.5325  25502.76   1529.90  25502.76   1529.90  25502.76   1529.90  216.676 6.5325  216.676 6.5325  0.000000       0.000000  
1 1 1 -2  0   12 o 64.351  3.7228  2265.30    257.486  2265.30    257.486  2265.30    257.486  64.351  3.7228  64.351  3.7228  0.000000       0.000000  
1 1 1 -2  0   13 o 340.496 8.3383  62938.36   3070.96  62938.36   3070.96  62938.36   3070.96  340.496 8.3383  340.496 8.3383  0.000000       0.000000  
1 1 1 -2  0   14 o 1199.17 39.903  794133.31  51696.63 794133.31  51696.63 794133.31  51696.63 1199.17 39.903  1199.17 39.903  0.000000       0.000000  
1 1 1 -2  0   15 o 241.223 6.2934  31592.91   1641.76  31592.91   1641.76  31592.91   1641.76  241.223 6.2934  241.223 6.2934  -0.000000      0.000000  
1 1 1 -2  0   16 o 26.462  8.2571  475.458    207.511  475.458    207.511  475.458    207.511  26.462  8.2571  26.462  8.2571  0.000000       0.000000  
1 1 1 -2  0   17 o 122.731 4.2725  8190.26    566.380  8190.26    566.380  8190.26    566.380  122.731 4.2725  122.731 4.2725  -0.000000      0.000000  
1 1 1 -2  0   18 o 122.436 4.3227  8152.78    571.613  8152.78    571.613  8152.78    571.613  122.436 4.3227  122.436 4.3227  0.000000       0.000000  
1 1 1 -2  0   19 o 13.486  8.0771  100.677    210.675  100.677    210.675  100.677    210.675  13.486  8.0771  13.486  8.0771  0.000000       0.000000  
1 1 1 -2  0   20 o 71.549  4.3479  2804.94    334.088  2804.94    334.088  2804.94    334.088  71.549  4.3479  71.549  4.3479  -0.000000      0.000000  
1 1 1 -2  0   21 o 282.666 8.1510  43505.82   2490.79  43505.82   2490.79  43505.82   2490.79  282.666 8.1510  282.666 8.1510  0.000000       0.000000  
1 1 1 -2  0   22 o 189.588 5.3602  19540.46   1098.69  19540.46   1098.69  19540.46   1098.69  189.588 5.3602  189.588 5.3602  0.000000       0.000000  
1 1 1 -2  0   23 o 179.220 5.7521  17483.45   1113.95  17483.45   1113.95  17483.45   1113.95  179.220 5.7521  179.220 5.7521  0.000000       0.000000  
1 1 1 -2  0   24 o 209.157 5.7511  23804.88   1300.62  23804.88   1300.62  23804.88   1300.62  209.157 5.7511  209.157 5.7511  0.000000       0.000000  
1 1 1 -2  0   25 o ?       ?       -158.4075  23.102   -158.4075  23.102   -158.4075  23.102   ?       ?       ?       ?       0.000000       0.000000  
1 1 1 -2  0   26 o 17.511  9.1884  243.924    230.155  243.924    230.155  243.924    230.155  17.511  9.1884  17.511  9.1884  -0.000000      0.000000  
1 1 1 -2  0   27 o 119.806 4.3866  7836.69    567.488  7836.69    567.488  7836.69    567.488  119.806 4.3866  119.806 4.3866  -0.000000      0.000000  
1 1 1 -2  0   28 o 16.043  9.3730  173.483    271.220  173.483    271.220  173.483    271.220  16.043  9.3730  16.043  9.3730  0.000000       0.000000  
1 1 1 -2  0   29 f 21.587  10.382  383.807    280.801  383.807    280.801  383.807    280.801  21.587  10.382  21.587  10.382  0.000000       0.000000  
1 1 1 -2  0   30 o 67.731  3.1459  2511.24    229.648  2511.24    229.648  2511.24    229.648  67.731  3.1459  67.731  3.1459  0.000000       0.000000  
1 1 1 -2  0   31 o 42.709  7.3813  1097.46    310.859  1097.46    310.859  1097.46    310.859  42.709  7.3813  42.709  7.3813  0.000000       0.000000  
1 1 1 -2  0   32 o 26.911  10.697  571.123    301.075  571.123    301.075  571.123    301.075  26.911  10.697  26.911  10.697  -0.000000      0.000000  
1 1 1 -2  0   33 o 50.967  6.5644  1523.69    345.854  1523.69    345.854  1523.69    345.854  50.967  6.5644  50.967  6.5644  0.000000       0.000000  
1 1 1 -2  0   34 o 9.6724  6.8182  -288.0012  283.369  -288.0012  283.369  -288.0012  283.369  9.6724  6.8182  9.6724  6.8182  0.000000       0.000000  
1 1 1 -2  0   35 o 14.036  9.3399  -6.7929    381.764  -6.7929    381.764  -6.7929    381.764  14.036  9.3399  14.036  9.3399  0.000000       0.000000  
1 1 1 -2  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   9  o 112.881 2.7682  6901.95    338.444  6800.67    478.447  7003.39    478.817  112.038 3.9428  113.696 3.8883  -1.658257      5.537493  
1 1 1 -2  1   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   11 o 762.670 25.271  318164.31  20874.80 318164.31  20874.80 0.0000     0.0000   762.670 25.271  ?       ?       0.000000       25.27059  
1 1 1 -2  1   12 o 717.126 11.809  279138.50  9172.50  281523.91  12971.90 276753.09  12971.84 719.376 16.649  713.227 16.792  6.149292       23.64633  
1 1 1 -2  1   13 o 629.693 10.409  215151.20  7098.96  214947.00  10039.29 215355.41  10039.61 628.780 14.741  629.379 14.728  -0.5992432     20.83769  
1 1 1 -2  1   14 o 275.187 6.9508  41051.80   2071.75  39523.86   2928.67  42582.28   2931.11  269.872 10.019  280.139 9.6602  -10.26752      13.91793  
1 1 1 -2  1   15 o 520.851 8.6708  147206.00  4891.52  152539.41  6918.08  141874.00  6917.23  529.714 12.058  510.787 12.503  18.92728       17.37024  
1 1 1 -2  1   16 o 303.826 5.3391  50039.84   1756.95  49114.55   2485.05  50964.62   2484.36  300.851 7.6263  306.477 7.4842  -5.625183      10.68523  
1 1 1 -2  1   17 o 114.472 2.9144  7099.10    361.336  7337.16    513.398  6865.42    508.648  116.354 4.0738  112.550 4.1726  3.804672       5.831485  
1 1 1 -2  1   18 o 275.288 4.9149  41096.79   1465.46  42381.23   2073.61  39815.16   2071.34  279.377 6.8528  270.765 7.0630  8.612183       9.841046  
1 1 1 -2  1   19 o 419.157 7.5881  95513.88   3444.95  98293.52   4514.76  91639.95   5329.86  424.664 9.8156  409.384 12.020  15.28015       15.51885  
1 1 1 -2  1   20 o 340.390 5.9087  62919.71   2178.40  62913.39   3080.63  62926.03   3080.81  339.905 8.3678  339.939 8.3674  -0.3421021E-01 11.83362  
1 1 1 -2  1   21 o 199.850 3.9020  21659.00   844.629  21878.11   1194.42  21439.85   1194.55  200.724 5.4940  198.698 5.5506  2.026154       7.809811  
1 1 1 -2  1   22 o 209.213 4.2425  23747.25   961.349  24146.39   1283.35  23236.90   1451.17  210.818 5.6204  206.700 6.4820  4.118057       8.579355  
1 1 1 -2  1   23 o 231.882 4.4981  29191.29   1129.70  28940.47   1715.72  29383.26   1501.00  230.502 6.8723  232.425 5.9625  -1.922638      9.098325  
1 1 1 -2  1   24 o 362.972 6.2609  71779.64   2461.37  71251.38   3480.77  72307.98   3481.04  360.523 8.9140  363.219 8.8485  -2.695496      12.56006  
1 1 1 -2  1   25 o 135.521 3.3179  9969.08    487.006  10565.30   687.246  9367.68    690.224  139.373 4.5527  131.197 4.8573  8.176086       6.657344  
1 1 1 -2  1   26 o 57.840  2.4075  1814.92    150.822  2078.93    299.314  1725.07    174.610  61.606  4.5172  56.296  2.8732  5.309540       5.353578  
1 1 1 -2  1   27 o 65.010  2.4132  2294.53    169.916  2431.12    202.842  1973.25    311.107  66.887  2.7999  59.869  4.8391  7.017963       5.590743  
1 1 1 -2  1   28 o 40.448  4.9370  911.001    211.801  967.589    300.251  854.953    298.817  41.180  6.9812  38.533  7.4291  2.646576       10.19455  
1 1 1 -2  1   29 o 26.452  6.9175  406.188    200.438  391.285    282.704  421.251    284.226  26.456  8.6072  27.227  8.6080  -0.7716961     12.17299  
1 1 1 -2  1   30 o 29.816  0.9746  481.840    31.474   535.807    54.809   455.288    38.445   31.377  1.6183  28.976  1.2250  2.400890       2.029661  
1 1 1 -2  1   31 o 54.345  2.3947  1609.84    140.957  1467.11    336.267  1640.27    155.256  50.598  6.2703  54.822  2.6147  -4.224518      6.793634  
1 1 1 -2  1   32 o 22.752  2.7106  287.128    65.482   663.457    306.964  269.187    67.025   32.742  8.5597  21.985  2.8844  10.75744       9.032612  
1 1 1 -2  1   33 o 73.579  2.7519  2970.80    219.305  3073.02    262.205  2732.81    400.093  74.644  3.2432  69.123  5.3865  5.520844       6.287535  
1 1 1 -2  1   34 o 22.811  7.5173  323.392    215.382  167.932    303.188  481.773    306.024  20.419  8.4358  26.931  8.9646  -6.511806      12.30968  
1 1 1 -2  1   35 f 23.617  8.5747  369.104    283.244  515.523    400.099  221.997    401.038  26.630  10.091  22.031  9.4318  4.598963       13.81281  
1 1 1 -2  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   3  o 195.772 3.6969  20760.78   783.891  20936.16   1108.72  20585.49   1108.46  196.574 5.2075  194.920 5.2504  1.653976       7.394886  
1 1 1 -2  2   4  o 356.665 7.0808  68950.98   2735.34  0.0000     0.0000   68950.98   2735.34  ?       ?       356.665 7.0808  0.000000       7.080766  
1 1 1 -2  2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   8  o 113.617 3.2078  6993.31    394.743  7349.11    671.458  6805.39    487.976  116.435 5.3244  112.068 4.0202  4.366066       6.671618  
1 1 1 -2  2   9  o 428.022 9.1561  99438.74   4244.71  93276.23   10077.91 100767.70  4680.08  411.563 22.696  430.776 10.031  -19.21301      24.81362  
1 1 1 -2  2   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   11 o 319.867 5.5706  55435.93   1929.92  56440.10   2729.34  54431.79   2729.31  322.675 7.8095  316.877 7.9523  5.798492       11.14569  
1 1 1 -2  2   12 o 218.156 4.0627  25780.40   959.959  24368.18   1357.12  27194.56   1358.05  212.064 5.9086  224.032 5.5968  -11.96756      8.138476  
1 1 1 -2  2   13 o 637.010 12.147  220336.41  8380.79  213206.59  14515.07 223901.91  10264.64 624.868 21.447  641.737 14.768  -16.86951      26.03939  
1 1 1 -2  2   14 o 248.735 7.3274  33542.74   1974.06  32583.17   3402.86  34029.47   2423.54  244.529 12.894  250.465 8.9337  -5.936401      15.68638  
1 1 1 -2  2   15 o 116.845 2.9680  7395.44    375.622  7471.15    532.133  7320.24    530.290  117.428 4.1839  116.236 4.2121  1.192398       5.936895  
1 1 1 -2  2   16 o 560.392 9.3242  170577.50  5659.46  172576.30  8003.98  168579.00  8003.39  562.841 13.130  556.245 13.284  6.595520       18.67771  
1 1 1 -2  2   17 o 135.033 3.1994  9879.12    467.930  10331.50   682.944  9478.83    642.420  138.057 4.5673  132.240 4.4853  5.817520       6.401366  
1 1 1 -2  2   18 o 421.556 7.1240  96515.97   3252.73  97706.23   4600.66  95326.35   4599.44  423.552 10.029  418.333 10.151  5.219238       14.26952  
1 1 1 -2  2   19 o 195.447 3.8112  20707.24   806.790  21199.84   1143.49  20218.94   1138.48  197.665 5.3411  193.031 5.4454  4.634323       7.627528  
1 1 1 -2  2   20 o 114.595 3.0006  7116.70    372.425  7263.33    528.815  6972.41    524.587  115.729 4.2188  113.386 4.2716  2.343414       6.003726  
1 1 1 -2  2   21 o 107.721 2.8533  6288.62    332.908  6393.72    473.275  6185.69    468.369  108.578 4.0244  106.796 4.0491  1.781982       5.708874  
1 1 1 -2  2   22 o 256.238 4.8718  35643.44   1352.08  33408.07   2062.09  37329.21   1790.75  247.627 7.6885  262.013 6.3102  -14.38589      9.946418  
1 1 1 -2  2   23 o 43.824  4.1788  1051.72    195.948  1227.80    276.940  875.214    277.285  47.208  5.5205  39.552  6.7127  7.656193       8.691133  
1 1 1 -2  2   24 o 107.056 2.8758  6214.64    333.459  6014.05    471.038  6416.16    472.128  105.243 4.1323  108.712 4.0097  -3.469772      5.757920  
1 1 1 -2  2   25 o 206.747 4.0090  23226.57   897.728  22921.62   1269.41  23531.68   1269.74  205.029 5.7163  207.757 5.6427  -2.728668      8.032251  
1 1 1 -2  2   26 o 85.762  2.7170  3992.15    252.381  3940.15    391.386  4029.16    330.204  85.065  4.2480  86.092  3.5412  -1.027092      5.530420  
1 1 1 -2  2   27 o 92.084  2.7350  4607.02    272.776  4712.85    361.091  4466.35    416.298  93.027  3.5838  90.459  4.2489  2.567596       5.558494  
1 1 1 -2  2   28 o 88.827  2.8551  4292.83    274.689  4443.01    435.759  4193.80    353.847  90.067  4.4669  87.655  3.7271  2.412766       5.817615  
1 1 1 -2  2   29 o 117.141 3.2123  7486.54    407.562  7262.54    575.895  7711.28    576.866  114.920 4.6268  118.467 4.4958  -3.547409      6.451281  
1 1 1 -2  2   30 o 73.271  2.2852  2920.90    181.356  2752.22    256.295  3090.05    256.658  70.938  3.3357  75.206  3.1509  -4.267578      4.588599  
1 1 1 -2  2   31 o 33.478  1.2661  608.053    45.910   42.263     294.714  622.125    46.478   19.126  8.1341  33.863  1.2672  -14.73662      8.232230  
1 1 1 -2  2   32 o 69.844  2.8392  2671.92    214.779  3023.75    391.578  2520.53    256.865  73.305  4.9611  67.544  3.5234  5.761642       6.084944  
1 1 1 -2  2   33 o 36.533  2.7602  736.453    108.413  681.745    114.895  1180.65    327.388  35.068  3.0555  44.395  7.0438  -9.326977      7.678012  
1 1 1 -2  2   34 o ?       ?       -154.3735  33.472   -81.0825   289.874  -155.3640  33.698   16.430  7.4664  ?       ?       0.000000       7.466442  
1 1 1 -2  2   35 o 20.327  8.1899  214.429    277.268  345.073    389.715  80.514     394.563  23.718  9.6544  20.154  8.9706  3.563997       13.17874  
1 1 1 -2  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   1  o 247.481 5.0861  33183.32   1363.31  30576.56   1669.50  38400.88   2361.94  237.529 6.4893  266.133 8.1941  -28.60402      10.45247  
1 1 1 -2  3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   7  o 339.972 5.8632  62665.83   2158.97  63643.54   3053.17  61688.01   3053.33  342.421 8.2323  337.107 8.3625  5.313965       11.73464  
1 1 1 -2  3   8  o 106.225 2.6829  6112.30    308.678  5853.08    435.152  6374.85    437.934  103.934 3.8656  108.470 3.7276  -4.535645      5.370060  
1 1 1 -2  3   9  o 199.889 3.8193  21646.56   826.888  21074.11   1168.83  22220.13   1169.96  197.188 5.4727  202.483 5.3347  -5.294647      7.642624  
1 1 1 -2  3   10 o 433.499 7.3112  101870.20  3432.80  101685.90  4854.69  102054.60  4854.72  432.890 10.354  433.676 10.335  -0.7854614     14.62974  
1 1 1 -2  3   11 o 497.703 8.3053  134292.09  4477.08  140119.70  6331.75  128465.30  6331.35  508.135 11.505  486.499 12.016  21.63632       16.63526  
1 1 1 -2  3   12 o 179.979 3.5648  17545.85   694.904  17102.27   982.357  17990.13   983.128  177.670 5.1049  182.225 4.9812  -4.555328      7.132445  
1 1 1 -2  3   13 o 621.310 11.875  209585.50  7990.87  207800.50  13839.93 210478.09  9787.00  617.061 20.708  622.240 14.522  -5.179199      25.29231  
1 1 1 -2  3   14 o 270.438 8.1284  39662.02   2380.92  41683.11   4164.14  38680.36   2902.09  276.526 13.948  266.974 10.036  9.551544       17.18375  
1 1 1 -2  3   15 o 261.359 4.6918  37014.36   1328.15  37123.08   1878.52  36905.70   1878.06  261.667 6.6282  260.899 6.6461  0.7680664      9.386379  
1 1 1 -2  3   16 o 231.941 4.5550  29154.70   1144.28  29547.82   1519.45  28639.61   1739.24  233.438 6.0096  229.772 6.9886  3.666061       9.217181  
1 1 1 -2  3   17 o 609.139 10.968  202031.50  7235.97  202113.00  9454.20  201916.20  11243.15 608.095 14.354  606.625 17.112  1.469482       22.33524  
1 1 1 -2  3   18 o 263.072 5.4700  37542.96   1558.61  38817.11   2205.06  36270.80   2203.35  267.286 7.6168  258.342 7.8744  8.944580       10.95547  
1 1 1 -2  3   19 o 173.963 3.7074  16404.24   698.540  17230.76   943.843  15403.19   1038.73  178.231 4.8893  168.466 5.6927  9.764999       7.504150  
1 1 1 -2  3   20 o 320.606 5.5917  55802.64   1941.70  56698.49   2746.15  54907.02   2745.82  322.782 7.8550  317.617 7.9817  5.165375       11.19861  
1 1 1 -2  3   21 o 238.636 4.4166  30893.75   1141.56  31390.89   1615.76  30398.26   1613.06  240.344 6.2069  236.502 6.2972  3.842453       8.841916  
1 1 1 -2  3   22 o 204.960 3.9669  22786.47   880.616  22525.08   1245.68  23047.60   1245.07  203.613 5.6485  205.969 5.5812  -2.355988      7.940702  
1 1 1 -2  3   23 o 42.257  1.7849  967.421    81.691   797.708    265.980  985.097    85.840   37.711  6.7603  42.641  1.8586  -4.930065      7.011152  
1 1 1 -2  3   24 o 203.386 3.9579  22456.11   871.886  22336.14   1232.31  22576.37   1233.76  202.594 5.6160  203.685 5.5924  -1.090668      7.925544  
1 1 1 -2  3   25 o 52.905  3.5977  1526.90    204.929  1323.98    284.652  1745.23    295.265  48.994  5.4569  56.419  4.8799  -7.425362      7.320631  
1 1 1 -2  3   26 o 48.112  1.7138  1254.68    89.309   1272.40    126.346  1236.99    126.257  48.429  2.4087  47.686  2.4528  0.7430000      3.437756  
1 1 1 -2  3   27 o 83.287  2.6371  3768.04    237.885  3951.20    306.179  3489.10    377.857  85.212  3.3174  79.814  4.3878  5.398376       5.500779  
1 1 1 -2  3   28 o 73.927  2.7254  2972.23    218.229  3037.87    382.481  2940.55    265.726  74.267  4.7803  73.454  3.3400  0.8127289      5.831544  
1 1 1 -2  3   29 o 65.814  3.5816  2374.28    254.350  2380.41    359.060  2368.11    360.354  65.498  5.1016  65.317  5.1351  0.1809464      7.238499  
1 1 1 -2  3   30 o 25.450  1.2965  352.204    35.620   476.835    50.758   231.281    49.998   29.597  1.5892  20.492  2.2919  9.105618       2.788997  
1 1 1 -2  3   31 o 55.282  2.2585  1664.66    135.231  1121.68    333.376  1771.60    147.950  43.719  7.2976  57.009  2.3961  -13.29027      7.680882  
1 1 1 -2  3   32 f 34.655  1.7001  653.045    63.813   602.039    305.479  655.373    65.253   31.174  8.7106  34.714  1.7355  -3.539492      8.881831  
1 1 1 -2  3   33 o 49.235  4.4884  1369.23    236.723  1270.07    337.796  1464.92    331.838  46.106  6.9829  50.005  6.2644  -3.899170      9.381016  
1 1 1 -2  3   34 o ?       ?       -93.8594   23.882   -194.4764  33.536   9.6791     34.019   ?       ?       6.9318  2.8405  0.000000       2.840467  
1 1 1 -2  3   35 o 41.267  7.1932  1096.92    309.825  941.453    434.259  1258.11    442.166  34.666  10.590  41.221  10.005  -6.554668      14.56882  
1 1 1 -2  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   8  f 175.743 3.6521  16733.90   695.169  17228.37   932.831  16116.30   1042.53  178.290 4.8307  172.416 5.5826  5.873566       7.382474  
1 1 1 -2  4   9  o 507.486 10.969  139910.41  6029.28  139015.80  6633.35  144162.30  14460.85 505.688 12.111  510.747 26.229  -5.059204      28.89029  
1 1 1 -2  4   10 o 226.682 4.1969  27836.51   1030.42  28619.95   1457.42  27053.48   1457.04  229.815 5.8551  223.433 6.0208  6.381821       8.398353  
1 1 1 -2  4   11 o 317.499 7.1991  54635.83   2475.66  54860.64   3159.93  54278.52   3983.69  318.071 9.1724  316.253 11.630  1.818420       14.81183  
1 1 1 -2  4   12 o 299.464 5.2583  48587.77   1705.52  48551.34   2412.14  48624.20   2411.80  299.284 7.4413  299.508 7.4347  -0.2247009     10.51890  
1 1 1 -2  4   13 o 127.896 3.4946  8860.36    484.096  8721.01    831.359  8931.85    595.460  126.858 6.0506  128.404 4.2816  -1.545555      7.412273  
1 1 1 -2  4   14 o 613.406 17.273  205042.70  11475.81 203366.80  13644.12 209094.70  21215.79 610.081 20.648  614.029 32.012  -3.947998      38.09325  
1 1 1 -2  4   15 o 311.639 5.4522  52636.92   1840.33  52671.88   2603.05  52601.99   2602.18  311.619 7.7124  311.412 7.7149  0.2070313      10.90876  
1 1 1 -2  4   16 o 208.736 4.5874  23613.19   1037.12  24524.93   1468.06  22704.79   1465.38  212.656 6.3738  204.602 6.6126  8.054352       9.184280  
1 1 1 -2  4   17 o 236.491 4.4134  30314.73   1130.47  32111.61   1502.29  27968.90   1716.49  243.328 5.7002  227.007 6.9813  16.32098       9.012790  
1 1 1 -2  4   18 o 73.639  2.2210  2937.47    177.146  3325.62    252.656  2562.15    248.441  78.344  2.9775  68.761  3.3359  9.582741       4.471414  
1 1 1 -2  4   19 o 78.149  2.3210  3308.60    196.454  3304.93    278.801  3312.24    276.867  78.091  3.2963  78.178  3.2698  -0.8676147E-01 4.642926  
1 1 1 -2  4   20 o 157.686 3.4841  13478.67   595.060  14163.30   811.324  12681.62   875.410  161.582 4.6359  152.857 5.2876  8.724396       7.032037  
1 1 1 -2  4   21 o 198.291 4.0876  21325.31   877.897  20960.62   1174.97  21786.20   1320.86  196.467 5.5217  200.239 6.0903  -3.772659      8.220723  
1 1 1 -2  4   22 o 118.824 2.9899  7653.31    384.804  7914.86    553.195  7408.12    535.621  120.782 4.2287  116.852 4.2321  3.930542       5.982646  
1 1 1 -2  4   23 o 86.796  2.6859  4083.43    252.494  4285.54    326.850  3784.30    397.626  88.894  3.3947  83.377  4.4189  5.517502       5.572304  
1 1 1 -2  4   24 o 173.602 3.5887  16353.73   674.784  16447.18   952.799  16259.69   955.785  173.926 5.0579  172.926 5.1031  1.000320       7.184925  
1 1 1 -2  4   25 o 97.986  3.0021  5209.57    318.609  5839.93    448.590  4567.89    452.600  103.669 3.9951  91.639  4.5600  12.02985       6.062543  
1 1 1 -2  4   26 o 62.145  2.3741  2095.05    159.796  2092.15    186.876  2102.93    308.204  62.082  2.7792  61.943  4.6272  0.1385498      5.397711  
1 1 1 -2  4   27 o 100.698 2.8571  5511.04    311.612  5756.77    430.988  5241.88    451.070  102.765 3.8721  97.996  4.2498  4.768906       5.749281  
1 1 1 -2  4   28 o 112.406 3.0915  6879.95    376.382  6760.22    546.760  6987.79    518.901  111.074 4.5448  113.014 4.2392  -1.939720      6.214962  
1 1 1 -2  4   29 o 120.588 3.2307  7934.67    421.962  8206.46    597.910  7665.00    595.585  122.198 4.5175  118.043 4.6584  4.154671       6.489114  
1 1 1 -2  4   30 o 60.731  2.5457  2008.93    167.448  2031.19    191.144  1935.47    347.216  61.015  2.8924  58.749  5.5214  2.265678       6.233141  
1 1 1 -2  4   31 o 46.295  4.5857  1199.29    226.916  1064.69    323.312  1329.95    318.556  42.578  7.2718  48.143  6.2571  -5.564503      9.593290  
1 1 1 -2  4   32 o 63.772  3.7761  2254.34    259.658  2577.69    370.376  1941.81    364.126  67.586  5.0971  58.232  5.8525  9.353939       7.760985  
1 1 1 -2  4   33 o 62.518  3.8452  2179.46    259.114  2068.63    368.381  2287.98    364.534  59.852  5.7535  63.212  5.3754  -3.359863      7.873870  
1 1 1 -2  4   34 o 45.841  2.4671  1159.28    122.043  1110.46    130.827  1486.66    338.771  44.777  2.7103  49.471  6.4781  -4.693806      7.022244  
1 1 1 -2  4   35 o 21.640  8.3651  279.648    278.565  379.725    390.387  175.833    397.612  24.274  9.7400  21.373  9.2720  2.901768       13.44757  
1 1 1 -2  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   6  o 428.319 7.1585  99485.88   3320.93  93876.32   6641.46  101356.00  3834.75  415.159 14.770  432.236 8.1912  -17.07788      16.88927  
1 1 1 -2  5   7  o 345.159 5.9391  64595.96   2220.31  62768.45   3139.86  66423.77   3140.11  340.023 8.5257  349.808 8.2879  -9.784515      11.89024  
1 1 1 -2  5   8  f 558.686 9.2605  169533.59  5603.69  174978.09  7924.96  164089.50  7924.69  566.800 12.909  548.777 13.333  18.02325       18.55813  
1 1 1 -2  5   9  o 701.820 37.592  277030.41  28471.68 277030.41  28471.68 0.0000     0.0000   701.820 37.592  ?       ?       0.000000       37.59217  
1 1 1 -2  5   10 o 282.117 4.9916  43121.61   1525.25  41690.73   2156.67  44553.47   2157.40  277.331 7.1798  286.703 6.9475  -9.372009      9.990882  
1 1 1 -2  5   11 o 723.932 23.997  286369.31  18815.86 0.0000     0.0000   286369.31  18815.86 ?       ?       723.932 23.997  0.000000       23.99696  
1 1 1 -2  5   12 o 305.009 5.8286  50409.14   1925.51  52712.94   2961.95  48722.94   2534.02  311.791 8.7709  299.798 7.8039  11.99283       11.74006  
1 1 1 -2  5   13 o 82.583  2.8429  3693.87    254.287  3516.97    470.582  3766.83    302.209  80.381  5.4371  83.392  3.3459  -3.010506      6.384171  
1 1 1 -2  5   14 o 796.989 18.604  346502.00  16059.26 339007.69  22711.17 353996.41  22711.28 785.311 26.701  802.739 26.121  -17.42853      37.35335  
1 1 1 -2  5   15 f 674.497 11.140  247203.09  8138.05  241130.09  11508.69 253276.59  11509.19 664.986 15.979  681.642 15.589  -16.65558      22.32348  
1 1 1 -2  5   16 o 752.652 13.493  308738.50  10999.67 304765.91  17112.90 311535.31  14358.77 744.323 21.227  754.391 17.573  -10.06787      27.55740  
1 1 1 -2  5   17 o 507.654 8.4866  140023.80  4666.31  140038.00  6599.21  140009.70  6599.09  506.845 12.021  506.793 12.022  0.5151367E-01  17.00123  
1 1 1 -2  5   18 o 369.987 6.3350  74303.77   2538.64  74731.34   3590.76  73876.48   3589.61  370.628 8.9449  368.493 8.9939  2.135193       12.68471  
1 1 1 -2  5   19 o 225.335 4.2159  27530.87   1028.93  27816.13   1456.22  27246.47   1454.04  226.365 5.9395  224.030 5.9924  2.334671       8.437196  
1 1 1 -2  5   20 o 72.252  2.9034  2828.97    227.207  2690.44    326.224  2959.47    316.629  70.301  4.3051  73.771  3.9774  -3.469986      5.861210  
1 1 1 -2  5   21 o 165.110 3.6528  14781.14   653.237  14684.31   970.081  14861.48   883.596  164.448 5.4464  165.477 4.9300  -1.028854      7.346310  
1 1 1 -2  5   22 o 151.358 3.3215  12420.69   544.521  12365.61   772.854  12475.00   767.314  150.934 4.7276  151.605 4.6729  -0.6701355     6.647285  
1 1 1 -2  5   23 o 188.200 3.7504  19214.70   764.480  18501.77   1081.08  19927.78   1081.20  184.502 5.4099  191.505 5.2126  -7.002991      7.512499  
1 1 1 -2  5   24 o 27.808  5.8196  436.656    169.654  838.354    242.733  53.015     237.215  38.795  5.9681  18.128  7.4729  20.66647       9.563588  
1 1 1 -2  5   25 o 46.481  1.4595  1170.53    73.476   712.258    261.214  1209.91    76.568   35.470  7.0476  47.255  1.4960  -11.78502      7.204626  
1 1 1 -2  5   26 o 104.947 2.8956  5979.91    329.136  5893.85    449.943  6078.97    482.722  104.068 3.9918  105.660 4.2181  -1.591690      5.807490  
1 1 1 -2  5   27 o 66.992  3.1645  2441.22    229.614  2432.25    331.299  2449.52    318.525  66.547  4.6252  66.823  4.4260  -0.2760010     6.401714  
1 1 1 -2  5   28 o 35.355  1.3601  677.639    52.081   565.947    73.162   792.391    74.157   32.218  2.1082  38.216  1.7916  -5.998775      2.766651  
1 1 1 -2  5   29 f 65.180  3.6401  2330.02    255.956  1954.94    364.704  2694.09    359.308  59.108  5.7703  69.796  4.7818  -10.68821      7.494097  
1 1 1 -2  5   30 o 51.520  2.3689  1444.70    132.191  1412.48    144.615  1608.42    325.990  50.846  2.6350  53.442  5.7207  -2.596695      6.298362  
1 1 1 -2  5   31 o 31.152  6.4908  569.098    211.901  659.220    301.728  481.390    297.659  32.961  8.4209  28.400  8.7832  4.561708       12.16785  
1 1 1 -2  5   32 f 47.064  4.5799  1245.84    230.504  1209.74    327.644  1281.21    324.345  45.352  6.8867  46.853  6.5722  -1.501289      9.519491  
1 1 1 -2  5   33 o 73.943  3.5474  3027.15    284.102  3149.34    403.094  2906.54    400.481  74.459  5.0277  71.394  5.2152  3.065475       7.244003  
1 1 1 -2  5   34 o 16.523  6.7446  95.472     190.871  16.090     251.843  202.609    292.577  16.719  7.3141  20.826  8.4053  -4.106550      11.14203  
1 1 1 -2  5   35 o 24.852  9.8513  413.838    394.584  413.838    394.584  0.0000     0.0000   24.852  9.8513  ?       ?       0.000000       9.851261  
1 1 1 -2  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   6  o 418.741 7.0620  95086.72   3202.92  92842.74   6405.62  95834.78   3698.46  412.901 14.323  420.293 8.1245  -7.392334      16.46716  
1 1 1 -2  6   7  o 447.207 8.6244  108587.60  4177.42  118943.10  7236.13  103411.10  5116.05  466.991 14.306  436.093 10.831  30.89850       17.94409  
1 1 1 -2  6   8  o 99.518  2.6313  5364.72    283.621  5338.73    400.492  5390.87    401.712  99.265  3.7250  99.749  3.7182  -0.4835663     5.263168  
1 1 1 -2  6   9  o 308.472 5.3848  51568.20   1799.09  52854.67   2544.28  50281.71   2544.30  312.189 7.5245  304.485 7.7149  7.704376       10.77674  
1 1 1 -2  6   10 o 179.144 3.5551  17383.63   689.793  17568.72   975.031  17198.18   975.999  180.075 4.9991  178.165 5.0577  1.910049       7.111398  
1 1 1 -2  6   11 o 308.438 5.3846  51543.21   1798.84  53906.73   2543.78  49179.05   2544.12  315.365 7.4472  301.206 7.7984  14.15878       10.78312  
1 1 1 -2  6   12 o 196.140 3.9512  20839.45   839.399  21008.31   1121.11  20624.03   1266.28  196.914 5.2566  195.091 5.9927  1.822632       7.971441  
1 1 1 -2  6   13 o 204.731 4.7930  22708.60   1062.83  22700.88   1694.40  22713.61   1364.69  204.630 7.6450  204.726 6.1545  -0.9591675E-01 9.814429  
1 1 1 -2  6   14 o 335.340 8.2206  60986.59   2985.78  63364.85   4223.23  58609.89   4221.83  341.588 11.415  328.485 11.866  13.10306       16.46537  
1 1 1 -2  6   15 o 341.718 5.8920  63297.66   2180.72  61491.85   3083.46  65104.75   3084.55  336.639 8.4567  346.406 8.2212  -9.766846      11.79428  
1 1 1 -2  6   16 o 476.780 8.0056  123384.50  4134.12  120414.70  5846.08  126355.10  5846.96  470.447 11.473  481.964 11.201  -11.51691      16.03402  
1 1 1 -2  6   17 o 276.781 5.2612  41540.10   1577.22  41495.43   2415.48  41573.30   2082.44  276.395 8.0687  276.761 6.9470  -0.3663330     10.64730  
1 1 1 -2  6   18 o 108.707 2.8270  6402.60    332.850  6277.63    470.991  6527.29    470.452  107.615 4.0408  109.736 3.9582  -2.121078      5.656437  
1 1 1 -2  6   19 o 195.115 3.8055  20637.18   804.219  21042.81   1138.85  20233.70   1135.83  196.929 5.3393  193.099 5.4308  3.829636       7.615907  
1 1 1 -2  6   20 o 163.548 4.1184  14505.10   729.537  15142.33   924.510  13453.46   1187.68  167.041 5.1100  157.309 6.9706  9.731720       8.643015  
1 1 1 -2  6   21 o 379.044 6.5017  78103.79   2669.25  77408.21   3775.25  78799.10   3774.52  376.619 9.2549  380.014 9.1705  -3.394989      13.02888  
1 1 1 -2  6   22 o 35.531  4.4250  695.624    166.601  725.880    243.530  669.008    228.415  35.989  6.4862  34.538  6.3396  1.450378       9.069781  
1 1 1 -2  6   23 o 166.754 3.4775  15081.44   628.080  15309.31   889.788  14855.16   886.697  167.886 4.8933  165.371 4.9505  2.514694       6.960721  
1 1 1 -2  6   24 o 132.003 3.2864  9452.45    469.867  9322.75    664.890  9581.84    664.095  130.980 4.6868  132.794 4.6172  -1.814270      6.579108  
1 1 1 -2  6   25 o 121.656 3.0788  8031.48    405.678  7813.75    574.211  8248.45    573.222  119.866 4.4229  123.170 4.2968  -3.303604      6.166405  
1 1 1 -2  6   26 o 65.336  2.4491  2316.07    173.311  2405.13    309.849  2275.51    209.076  66.310  4.3381  64.732  2.9820  1.577225       5.264208  
1 1 1 -2  6   27 o 54.405  3.4953  1618.20    204.878  1728.67    297.004  1517.91    282.987  55.983  4.9492  52.412  5.0474  3.570389       7.068991  
1 1 1 -2  6   28 o 35.439  1.2226  680.733    46.930   220.273    284.853  693.580    47.580   22.616  8.5281  35.772  1.2281  -13.15593      8.616043  
1 1 1 -2  6   29 o 76.607  2.7953  3196.43    231.939  3248.31    287.734  3100.18    391.923  77.113  3.4451  74.866  4.8596  2.246895       5.956874  
1 1 1 -2  6   30 o 25.698  1.3581  359.219    37.665   359.576    38.005   339.515    282.503  25.710  1.3697  25.018  8.6111  0.6915913      8.719316  
1 1 1 -2  6   31 o 104.898 3.0439  6022.69    345.829  5973.43    465.185  6083.55    517.071  104.007 4.1295  104.741 4.5579  -0.7340698     6.150339  
1 1 1 -2  6   32 f 61.051  3.8408  2068.49    252.678  1937.04    358.576  2198.14    356.119  58.201  5.7640  62.261  5.3324  -4.059769      7.852285  
1 1 1 -2  6   33 o 13.347  3.9038  101.066    60.012   944.059    305.430  67.214     61.205   39.369  7.4355  11.529  4.0058  27.83923       8.445883  
1 1 1 -2  6   34 o 20.320  7.3838  235.562    210.094  111.189    296.895  360.308    297.340  19.304  8.1852  24.067  8.7782  -4.762650      12.00227  
1 1 1 -2  6   35 o 27.425  10.177  560.443    402.445  560.443    402.445  0.0000     0.0000   27.425  10.177  ?       ?       0.000000       10.17689  
1 1 1 -2  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   6  o 325.741 5.6295  57513.96   1986.14  58839.87   3972.17  57071.96   2293.42  329.044 11.146  324.436 6.5265  4.607208       12.91590  
1 1 1 -2  7   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   8  o 178.648 3.6927  17291.45   714.521  17558.62   1072.20  17078.02   958.334  179.974 5.5004  177.509 4.9845  2.464417       7.422952  
1 1 1 -2  7   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   10 f 864.006 28.660  409992.19  26819.95 0.0000     0.0000   409992.19  26819.95 ?       ?       864.006 28.660  0.000000       28.65966  
1 1 1 -2  7   11 o 479.247 8.0285  124507.30  4167.41  126449.60  5893.48  122564.80  5893.73  482.737 11.272  475.249 11.450  7.488037       16.06709  
1 1 1 -2  7   12 o 659.631 11.992  236199.80  8567.43  244540.91  13320.50 230314.70  11188.76 670.105 18.353  650.778 15.874  19.32715       24.26536  
1 1 1 -2  7   13 o 533.859 10.256  154644.50  5930.41  152081.59  10269.97 155926.70  7263.88  528.363 17.946  535.814 12.517  -7.450500      21.87970  
1 1 1 -2  7   14 o 515.823 12.182  144552.30  6806.23  136189.30  9625.14  152916.41  9625.79  499.782 17.781  529.782 16.775  -30.00015      24.44530  
1 1 1 -2  7   15 o 281.851 5.0247  43051.06   1533.92  42459.95   2168.73  43642.78   2169.84  279.809 7.1561  283.685 7.0619  -3.875885      10.05383  
1 1 1 -2  7   16 o 392.457 6.6928  83544.72   2844.92  85652.51   4022.70  81435.61   4023.96  397.074 9.3535  387.144 9.5965  9.929657       13.40077  
1 1 1 -2  7   17 o 251.971 4.9157  34421.50   1341.55  34062.26   1774.76  34900.42   2049.15  250.544 6.5401  253.532 7.4623  -2.987717      9.922643  
1 1 1 -2  7   18 o 124.162 3.0443  8353.20    409.395  8293.64    571.141  8416.15    587.135  123.687 4.2633  124.594 4.3508  -0.9074707     6.091424  
1 1 1 -2  7   19 o 304.423 5.3505  50286.39   1764.18  51098.63   2495.32  49474.67   2494.53  306.579 7.5147  301.649 7.6351  4.929871       10.71292  
1 1 1 -2  7   20 o 170.245 3.4995  15711.45   645.291  15672.45   914.454  15750.12   910.716  169.949 4.9679  170.372 4.9353  -0.4228210     7.002665  
1 1 1 -2  7   21 o 203.345 4.3991  22431.97   968.875  22978.80   1370.26  21885.24   1370.14  205.637 6.1522  200.667 6.3040  4.969849       8.808523  
1 1 1 -2  7   22 o 205.303 4.7708  22880.05   1060.87  24087.12   1392.26  21208.94   1638.15  210.491 6.1068  197.296 7.6659  13.19463       9.801005  
1 1 1 -2  7   23 o 167.743 3.8392  15266.04   697.515  15571.13   986.727  14961.31   986.143  169.261 5.3823  165.902 5.4881  3.359390       7.686878  
1 1 1 -2  7   24 o 196.620 3.8433  20984.84   818.459  21738.49   1158.83  20234.72   1156.12  199.901 5.3522  192.832 5.5355  7.068237       7.699865  
1 1 1 -2  7   25 o 62.109  3.2422  2099.47    217.347  1949.09    307.529  2249.55    307.220  59.653  4.8004  64.161  4.4484  -4.507835      6.544588  
1 1 1 -2  7   26 o 108.703 2.9776  6417.00    350.572  6519.58    496.069  6314.66    495.499  109.421 4.1857  107.679 4.2486  1.742294       5.964112  
1 1 1 -2  7   27 o 30.420  1.6577  503.236    54.411   500.006    247.882  503.399    55.771   29.458  7.6875  30.421  1.6994  -0.9629841     7.873053  
1 1 1 -2  7   28 o 41.304  2.2938  929.557    102.215  1099.11    311.090  909.037    108.223  44.011  6.7408  40.826  2.4589  3.185318       7.175252  
1 1 1 -2  7   29 o 24.455  7.1067  343.504    199.452  32.048     282.503  653.047    281.634  18.859  7.9897  33.331  7.9186  -14.47131      11.24899  
1 1 1 -2  7   30 o 86.311  2.8357  4063.59    265.087  4212.35    336.635  3820.76    430.082  87.699  3.5440  83.005  4.8044  4.694153       5.970094  
1 1 1 -2  7   31 o 40.406  1.4381  886.279    62.939   927.470    89.966   846.795    88.081   41.287  2.0118  39.391  2.0718  1.895687       2.887851  
1 1 1 -2  7   32 o 42.981  4.8996  1046.53    224.012  1044.56    318.315  1048.47    315.307  41.887  7.2806  42.014  7.1874  -0.1266785     10.23058  
1 1 1 -2  7   33 o 21.524  7.0495  269.738    189.521  -37.0788   292.451  491.881    248.845  17.488  7.7565  28.133  7.8621  -10.64483      11.04425  
1 1 1 -2  7   34 o 42.589  5.1289  1062.91    231.833  1152.48    327.996  973.482    327.727  42.788  7.3419  38.682  8.0828  4.105900       10.91949  
1 1 1 -2  7   35 o 39.205  7.9547  1027.31    326.236  958.234    426.402  1124.83    506.638  35.152  10.440  36.831  11.470  -1.678619      15.50988  
1 1 1 -2  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  8   1  o 129.025 2.9061  9016.83    406.122  8716.76    591.548  9284.36    558.557  126.849 4.3056  130.917 3.9391  -4.068245      5.835641  
1 1 1 -2  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  8   5  o 484.101 9.3294  127167.30  4891.68  132529.70  8473.13  124486.50  5990.89  493.279 15.859  478.718 11.554  14.56097       19.62178  
1 1 1 -2  8   6  o 262.956 4.7013  37470.69   1338.97  37837.12   2677.41  37348.48   1546.21  263.982 9.3642  262.498 5.4384  1.484039       10.82888  
1 1 1 -2  8   7  o 501.029 9.0179  136342.91  4893.69  129332.00  9051.61  139238.50  5817.16  486.117 17.192  506.038 10.613  -19.92068      20.20383  
1 1 1 -2  8   8  o 209.755 3.9542  23838.47   898.345  23016.89   1796.02  24112.60   1037.45  205.947 8.0517  210.940 4.5408  -4.992981      9.243837  
1 1 1 -2  8   9  o 596.303 14.008  193429.20  9047.18  0.0000     0.0000   193429.20  9047.18  ?       ?       596.303 14.008  0.000000       14.00800  
1 1 1 -2  8   10 o 141.417 3.0898  10832.07   473.265  10899.99   668.527  10763.84   670.071  141.848 4.3514  140.959 4.3889  0.8890533      6.180365  
1 1 1 -2  8   11 o 493.742 8.9566  132185.09  4789.74  131266.59  7429.05  132838.50  6265.94  491.587 13.953  494.744 11.693  -3.157013      18.20478  
1 1 1 -2  8   12 o 352.779 6.0472  67439.02   2310.63  66370.70   3267.19  68508.02   3268.25  349.863 8.6220  355.459 8.4890  -5.595428      12.09964  
1 1 1 -2  8   13 o 546.613 10.504  162139.80  6218.90  161986.50  10769.67 162216.41  7617.20  545.232 18.237  546.462 12.870  -1.230103      22.32065  
1 1 1 -2  8   14 o 815.014 22.962  363848.41  20269.19 374036.41  37711.88 359709.81  24036.14 813.921 42.930  808.401 27.452  5.520081       50.95691  
1 1 1 -2  8   15 o 316.203 5.5330  54193.22   1894.94  56236.66   2679.70  52149.31   2680.01  321.980 7.6840  310.038 7.9809  11.94193       11.07874  
1 1 1 -2  8   16 o 389.526 6.5796  82299.03   2775.92  84153.11   3925.61  80444.70   3925.88  393.594 9.2085  384.797 9.4197  8.797363       13.17294  
1 1 1 -2  8   17 o 497.106 8.3081  134261.09  4473.24  139713.70  6326.22  128808.80  6326.02  506.338 11.535  486.047 12.017  20.29089       16.65727  
1 1 1 -2  8   18 o 355.023 6.1312  68407.64   2357.60  67657.80   3333.64  69157.95   3334.67  352.677 8.7271  356.582 8.6342  -3.905090      12.27649  
1 1 1 -2  8   19 o 172.785 3.5299  16181.82   660.600  15513.05   932.442  16855.73   936.028  169.098 5.0911  176.275 4.9026  -7.177521      7.067883  
1 1 1 -2  8   20 o 114.781 2.9368  7139.69    365.098  7132.03    519.751  7147.14    512.969  114.678 4.1845  114.802 4.1255  -0.1236649     5.876175  
1 1 1 -2  8   21 f 158.696 3.3806  13652.84   581.076  13982.34   824.093  13327.03   819.458  160.519 4.7400  156.707 4.8280  3.812637       6.765901  
1 1 1 -2  8   22 o 279.329 4.9946  42364.41   1511.07  42586.23   2137.95  42142.99   2136.01  279.698 7.0573  278.232 7.0881  1.465668       10.00230  
1 1 1 -2  8   23 o 168.395 3.5061  15380.27   639.480  15989.27   906.967  14778.22   901.778  171.573 4.8806  164.930 5.0481  6.642609       7.021662  
1 1 1 -2  8   24 f 213.112 4.0610  24660.08   937.370  25306.88   1327.47  24016.84   1323.82  215.617 5.6842  210.024 5.8196  5.593460       8.134967  
1 1 1 -2  8   25 o 175.823 3.7623  16793.62   716.472  16307.86   1068.89  17189.94   965.475  172.912 5.7074  177.671 5.0171  -4.758606      7.599050  
1 1 1 -2  8   26 o 119.014 3.0433  7693.23    392.289  7394.89    554.401  7992.40    555.160  116.498 4.3937  121.140 4.2312  -4.641914      6.099803  
1 1 1 -2  8   27 o 99.876  2.9140  5422.88    315.231  5497.89    463.303  5358.22    430.148  100.346 4.2628  99.110  4.0071  1.235771       5.850482  
1 1 1 -2  8   28 o 81.803  2.8117  3640.56    249.117  3707.89    412.815  3602.00    312.414  82.102  4.6615  81.259  3.5497  0.8432617      5.859159  
1 1 1 -2  8   29 o 26.886  6.8760  420.352    201.028  389.907    283.789  451.017    284.808  26.411  8.6252  27.973  8.5817  -1.562174      12.16718  
1 1 1 -2  8   30 o 98.138  2.9586  5257.20    314.477  5369.88    415.398  5105.92    481.324  98.905  3.8777  96.171  4.6209  2.733345       6.032339  
1 1 1 -2  8   31 o 26.905  0.7141  392.249    20.810   370.115    32.027   408.422    27.377   26.123  1.1319  27.449  0.9209  -1.325491      1.459210  
1 1 1 -2  8   32 o 17.780  7.0332  117.331    200.737  130.022    283.090  104.496    284.687  20.144  8.2172  19.722  8.1632  0.4224014      11.58279  
1 1 1 -2  8   33 o 59.480  3.9213  1976.92    251.206  1997.50    354.712  1956.21    355.807  58.846  5.6341  58.177  5.7207  0.6695404      8.029289  
1 1 1 -2  8   34 o 60.715  3.9669  2088.81    259.432  2092.61    366.441  2084.99    367.346  59.342  5.7744  59.208  5.8029  0.1341629      8.186418  
1 1 1 -2  8   35 o 20.355  8.3761  201.905    297.362  348.728    381.478  -25.4592   474.715  23.688  9.5846  20.296  9.3470  3.391851       13.38774  
1 1 1 -2  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  9   1  o 268.198 6.1488  38979.32   1786.14  37612.68   2814.27  39901.13   2311.31  263.320 9.8676  271.295 7.8659  -7.975037      12.61912  
1 1 1 -2  9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  9   5  o 280.053 4.9498  42498.75   1501.42  44240.05   2123.49  40758.00   2123.15  285.656 6.8634  274.170 7.1497  11.48523       9.910839  
1 1 1 -2  9   6  o 540.771 12.738  159176.30  7461.05  164712.50  10551.91 153640.91  10551.12 548.783 17.753  529.829 18.386  18.95380       25.55787  
1 1 1 -2  9   7  o 372.997 6.8739  75471.60   2777.00  76927.84   7753.42  75257.30   2974.31  373.963 19.207  372.419 7.3737  1.543304       20.57391  
1 1 1 -2  9   8  o 166.208 3.3876  14965.71   609.844  15780.36   1219.25  14693.90   704.271  170.588 6.5989  164.682 3.9484  5.906647       7.690009  
1 1 1 -2  9   9  f 547.162 9.0969  162426.50  5391.13  162021.91  10781.93 162561.41  6225.20  544.989 18.266  547.224 10.503  -2.235046      21.07022  
1 1 1 -2  9   10 f 352.387 6.0416  67288.70   2305.89  69098.15   3261.00  65479.20   3261.05  356.992 8.4338  347.507 8.6641  9.485535       12.09114  
1 1 1 -2  9   11 o 325.370 5.6386  57360.25   1987.11  55146.18   2809.60  59576.20   2810.79  318.943 8.1332  331.519 7.8280  -12.57590      11.28831  
1 1 1 -2  9   12 o 279.569 5.7880  42350.77   1752.63  40748.96   2477.22  43956.13   2479.96  274.147 8.3428  284.743 8.0412  -10.59601      11.58719  
1 1 1 -2  9   13 o 427.397 10.212  99117.96   4727.24  98336.56   6683.33  99900.28   6687.33  425.287 14.509  428.667 14.403  -3.380310      20.44433  
1 1 1 -2  9   14 o 342.983 10.017  63847.43   3721.10  66874.00   6673.47  62481.86   4482.64  349.766 17.673  339.114 12.204  10.65213       21.47764  
1 1 1 -2  9   15 o 263.285 4.7327  37563.92   1349.59  37561.33   1907.99  37566.51   1909.23  263.191 6.6932  263.209 6.6971  -0.1794434E-01 9.468377  
1 1 1 -2  9   16 o 179.959 3.7548  17547.38   731.863  17943.13   983.995  17057.40   1094.89  181.941 4.9934  177.369 5.6993  4.571976       7.577309  
1 1 1 -2  9   17 o 216.262 4.0893  25348.11   957.860  26503.26   1354.03  24190.95   1355.20  221.054 5.6554  211.175 5.9251  9.878830       8.190823  
1 1 1 -2  9   18 o 321.694 6.0280  56163.14   2100.32  54904.03   3231.53  57084.04   2763.65  317.585 9.3946  324.077 7.8734  -6.492249      12.25763  
1 1 1 -2  9   19 o 136.839 3.1980  10147.79   473.972  9562.33    683.941  10688.76   657.438  132.776 4.7559  140.398 4.3234  -7.622009      6.427294  
1 1 1 -2  9   20 o 209.018 4.2194  23693.50   955.213  23494.00   1271.15  23952.29   1447.77  208.018 5.6419  209.964 6.3663  -1.945633      8.506484  
1 1 1 -2  9   21 f 214.118 4.2756  24869.75   991.555  24180.31   1321.61  25757.59   1499.77  210.984 5.7834  217.687 6.3609  -6.703110      8.597055  
1 1 1 -2  9   22 o 96.046  2.9238  5000.18    304.154  5182.04    434.525  4825.49    425.883  97.734  4.1049  94.309  4.1693  3.424873       5.850908  
1 1 1 -2  9   23 o 63.652  3.1769  2196.94    219.020  2255.43    315.527  2142.54    304.262  64.290  4.5609  62.658  4.5136  1.632763       6.416702  
1 1 1 -2  9   24 o 98.405  2.8301  5250.92    301.645  5407.29    449.483  5122.79    406.872  99.785  4.1589  97.143  3.8670  2.642174       5.678937  
1 1 1 -2  9   25 o 67.622  3.0916  2481.65    226.435  2454.13    321.989  2508.57    318.494  67.022  4.4611  67.778  4.3617  -0.7553940     6.239054  
1 1 1 -2  9   26 o 75.439  2.9719  3090.75    242.830  3244.33    343.193  2936.77    343.633  77.081  4.1257  73.291  4.3483  3.790154       5.994119  
1 1 1 -2  9   27 o 52.247  3.7131  1494.99    208.755  1575.32    295.476  1414.94    294.973  53.367  5.1770  50.485  5.4826  2.882156       7.540577  
1 1 1 -2  9   28 o 99.560  2.9699  5395.57    320.251  5671.66    484.696  5181.66    426.645  101.766 4.3974  97.354  4.0462  4.412132       5.975675  
1 1 1 -2  9   29 o 78.154  2.6998  3325.86    228.532  3463.50    280.858  3056.17    393.144  79.657  3.2553  74.301  4.9130  5.355972       5.893607  
1 1 1 -2  9   30 o 97.699  2.9631  5210.79    313.555  5774.76    413.822  4450.52    480.471  102.614 3.7234  89.515  4.9753  13.09901       6.214288  
1 1 1 -2  9   31 o 66.401  2.1180  2400.24    152.322  2474.84    217.411  2328.31    213.473  67.252  2.9847  65.223  3.0219  2.029610       4.247383  
1 1 1 -2  9   32 o 32.826  6.2183  633.039    212.994  628.243    299.793  637.927    302.666  31.861  8.5215  32.093  8.5525  -0.2319775     12.07318  
1 1 1 -2  9   33 o 35.572  5.8637  743.353    218.044  719.289    306.690  767.948    310.061  33.727  8.4213  34.924  8.3163  -1.197174      11.83549  
1 1 1 -2  9   34 o 42.662  1.8026  994.371    83.295   783.436    317.417  1009.97    86.320   34.157  8.5887  42.984  1.8541  -8.827175      8.786542  
1 1 1 -2  9   35 o 25.558  8.9331  456.638    304.591  394.520    392.146  551.110    483.605  24.478  9.7831  27.121  10.855  -2.642122      14.61316  
1 1 1 -2  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  10  2  o 264.263 6.6674  37848.29   1908.39  40281.79   2699.09  35415.61   2698.64  272.535 9.1438  255.518 9.7511  17.01643       13.36757  
1 1 1 -2  10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  10  4  o 417.832 14.171  94940.56   6413.38  94940.56   6413.38  0.0000     0.0000   417.832 14.171  ?       ?       0.000000       14.17148  
1 1 1 -2  10  5  o 161.609 3.5245  14148.35   616.916  13447.00   831.196  15008.55   920.530  157.529 4.8716  166.420 5.1070  -8.890518      7.057865  
1 1 1 -2  10  6  o 444.607 10.606  107449.30  5107.29  106432.10  7222.64  108466.60  7222.95  441.658 15.099  445.891 14.956  -4.232727      21.25214  
1 1 1 -2  10  7  o 254.229 4.8407  35030.58   1332.93  33230.50   3541.60  35327.64   1438.71  246.592 13.309  255.288 5.2032  -8.695572      14.29040  
1 1 1 -2  10  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  10  9  o 498.317 8.2498  134668.50  4452.66  141856.91  8905.21  132272.30  5141.51  510.429 16.108  493.738 9.6144  16.69064       18.75904  
1 1 1 -2  10  10 o 323.361 6.0942  56659.80   2134.39  55196.60   3967.24  57255.86   2532.08  318.914 11.485  325.019 7.1928  -6.104706      13.55175  
1 1 1 -2  10  11 o 724.614 24.020  286917.81  18851.73 286917.81  18851.73 0.0000     0.0000   724.614 24.020  ?       ?       0.000000       24.02009  
1 1 1 -2  10  12 o 641.180 10.498  223054.09  7290.56  233223.80  10310.69 212885.50  10310.13 655.075 14.532  625.754 15.212  29.32123       21.03782  
1 1 1 -2  10  13 o 251.302 5.1162  34217.36   1392.56  29059.95   2402.74  36826.02   1708.83  231.446 9.5849  260.679 6.0523  -29.23340      11.33582  
1 1 1 -2  10  14 o 464.818 9.0011  117218.00  4531.56  124088.50  7849.58  113783.60  5549.76  477.449 15.179  457.731 11.194  19.71750       18.86051  
1 1 1 -2  10  15 o 309.246 5.4216  51834.99   1815.93  52911.09   2568.00  50758.71   2568.22  312.311 7.5917  305.882 7.7519  6.429199       10.85013  
1 1 1 -2  10  16 o 109.201 2.9278  6459.96    346.286  6354.61    494.764  6561.13    484.832  108.288 4.2184  110.036 4.0681  -1.748184      5.860379  
1 1 1 -2  10  17 o 346.089 6.4054  64994.99   2401.06  62939.11   3701.22  66488.88   3155.04  340.078 10.048  349.804 8.3274  -9.726013      13.05051  
1 1 1 -2  10  18 o 136.923 3.1358  10158.87   465.047  10061.62   656.308  10256.93   659.052  136.226 4.4481  137.543 4.4240  -1.316666      6.273550  
1 1 1 -2  10  19 o 247.623 4.5115  33254.17   1209.98  33163.41   1710.26  33345.12   1712.10  247.106 6.3901  247.783 6.3795  -0.6772156     9.029462  
1 1 1 -2  10  20 o 335.491 5.8279  61121.91   2117.69  60583.30   2994.17  61661.02   2995.55  333.542 8.2881  336.511 8.2188  -2.969116      11.67223  
1 1 1 -2  10  21 f 262.389 4.7301  37361.09   1344.27  38276.28   1900.77  36445.31   1901.40  265.324 6.6143  258.874 6.7813  6.450165       9.472861  
1 1 1 -2  10  22 o 119.643 3.0477  7759.63    394.934  7941.25    557.727  7576.98    559.318  120.979 4.2564  118.165 4.3702  2.813423       6.100450  
1 1 1 -2  10  23 o 241.270 4.8047  31616.31   1255.56  32425.10   1913.31  31004.60   1663.94  243.885 7.2432  238.648 6.4374  5.236725       9.690386  
1 1 1 -2  10  24 o 45.650  2.1704  1129.43    107.312  1092.21    118.044  1306.67    257.589  44.821  2.4408  48.776  4.9442  -3.955059      5.513846  
1 1 1 -2  10  25 o 73.843  2.5631  2957.34    204.992  2824.63    258.639  3181.56    336.177  72.131  3.3106  76.396  4.0776  -4.265266      5.252272  
1 1 1 -2  10  26 o 74.040  2.5530  2975.10    204.733  2951.57    256.956  3016.01    338.797  73.701  3.2190  74.292  4.2279  -0.5910263     5.313859  
1 1 1 -2  10  27 o 102.465 2.7321  5705.40    303.205  6076.82    422.720  5311.83    435.142  105.597 3.6960  98.661  4.0721  6.936295       5.499277  
1 1 1 -2  10  28 o 43.408  1.6709  1022.09    78.556   1155.46    111.032  888.419    111.159  46.124  2.2225  40.346  2.5570  5.778542       3.387885  
1 1 1 -2  10  29 o 51.370  2.2881  1434.70    127.307  1406.55    138.592  1586.77    322.101  50.842  2.5168  53.209  5.6767  -2.366436      6.209602  
1 1 1 -2  10  30 o 107.223 3.0577  6280.00    355.104  6243.58    480.419  6323.87    527.224  106.522 4.1640  107.042 4.5475  -0.5199509     6.165923  
1 1 1 -2  10  31 o 113.281 3.1214  7028.93    382.974  6739.08    524.261  7360.59    560.797  110.314 4.3878  115.226 4.4935  -4.912651      6.280475  
1 1 1 -2  10  32 f 39.343  1.6349  841.476    69.666   1140.46    98.643   543.958    98.401   45.760  1.9903  31.368  2.9302  14.39181       3.542242  
1 1 1 -2  10  33 o 14.475  6.4095  -36.8263   198.903  226.066    278.970  -308.6557  283.672  21.652  8.3708  14.100  6.7190  7.552674       10.73379  
1 1 1 -2  10  34 o 38.486  1.6924  808.479    70.546   480.269    309.228  826.498    72.456   26.713  9.0120  38.908  1.7194  -12.19527      9.174556  
1 1 1 -2  10  35 o 17.079  7.3688  65.694     248.362  252.025    375.091  -79.7766   331.422  22.102  9.2761  17.071  7.8424  5.031048       12.14703  
1 1 1 -2  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  1  o 370.474 10.637  74472.84   4268.17  73556.09   5124.08  76550.31   7713.66  368.022 12.855  374.322 19.089  -6.300049      23.01418  
1 1 1 -2  11  2  o 287.349 4.9114  44734.91   1528.56  45131.56   2161.73  44338.27   2161.71  288.559 6.9166  286.010 6.9782  2.549469       9.825257  
1 1 1 -2  11  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  4  o 480.586 16.161  125795.30  8412.46  0.0000     0.0000   125795.30  8412.46  ?       ?       480.586 16.161  0.000000       16.16149  
1 1 1 -2  11  5  o 468.779 9.0521  119270.90  4596.10  119944.50  7961.01  118934.20  5628.93  469.070 15.670  467.856 11.108  1.214050       19.20756  
1 1 1 -2  11  6  o 368.207 7.2333  73551.66   2884.71  73868.21   4996.82  73393.42   3532.90  368.350 12.525  367.647 8.8722  0.7023621      15.34863  
1 1 1 -2  11  7  o 302.699 6.0465  49683.32   1982.39  44381.31   3432.28  52337.38   2428.39  285.666 11.093  310.596 7.2186  -24.92957      13.23502  
1 1 1 -2  11  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  9  o 891.589 29.650  437977.31  28632.62 0.0000     0.0000   437977.31  28632.62 ?       ?       891.589 29.650  0.000000       29.65009  
1 1 1 -2  11  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  11 o 516.059 9.4030  144424.70  5255.79  153688.00  14994.35 143127.20  5611.83  529.888 26.126  513.682 10.086  16.20575       28.00549  
1 1 1 -2  11  12 f 379.758 7.0772  78167.33   2910.99  79364.13   4498.47  77305.13   3818.20  382.433 10.860  377.538 9.3374  4.894562       14.32244  
1 1 1 -2  11  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  14 o 612.367 11.716  203716.41  7770.89  205395.30  13459.71 202877.00  9517.30  612.975 20.273  610.618 14.390  2.356750       24.86137  
1 1 1 -2  11  15 o 533.577 10.392  154678.59  6005.48  156630.80  7155.60  150027.09  11045.27 536.586 12.312  523.385 19.484  13.20117       23.04839  
1 1 1 -2  11  16 o 383.865 6.5632  79930.05   2728.77  81061.97   3859.01  78798.08   3859.11  386.264 9.2240  380.814 9.3563  5.449799       13.13861  
1 1 1 -2  11  17 o 405.986 6.8952  89470.77   3031.97  89134.58   4287.64  89807.05   4288.08  404.743 9.7807  406.274 9.7448  -1.530884      13.80663  
1 1 1 -2  11  18 o 73.976  2.5161  2964.75    201.600  2982.26    328.611  2954.19    255.287  74.057  4.1130  73.836  3.1922  0.2208862      5.206446  
1 1 1 -2  11  19 o 263.562 4.7591  37679.55   1358.56  38130.60   1921.03  37228.25   1921.57  264.926 6.6948  261.762 6.7776  3.163849       9.526666  
1 1 1 -2  11  20 f 94.507  2.7698  4839.98    283.521  4618.67    379.863  5118.32    426.010  92.296  3.7999  97.153  4.0485  -4.856522      5.552462  
1 1 1 -2  11  21 o 169.820 3.5285  15635.64   649.009  14967.16   916.501  16308.03   919.180  166.047 5.0960  173.341 4.8959  -7.294250      7.066743  
1 1 1 -2  11  22 o 91.539  2.9809  4542.18    295.542  4176.83    419.773  4901.28    416.168  87.618  4.4378  95.051  4.0424  -7.432915      6.002960  
1 1 1 -2  11  23 o 167.530 3.5941  15224.43   652.163  15828.91   886.422  14511.11   962.916  170.714 4.7940  163.385 5.4413  7.329407       7.251953  
1 1 1 -2  11  24 o 34.969  4.6648  676.249    172.273  609.702    255.020  732.108    233.644  32.769  7.3646  36.155  6.1890  -3.386211      9.619850  
1 1 1 -2  11  25 o 147.331 3.3495  11785.72   534.496  12308.49   730.725  11184.18   783.851  150.409 4.4855  143.286 5.0508  7.122879       6.755002  
1 1 1 -2  11  26 o 128.801 3.1266  9013.38    436.174  9323.42    627.151  8722.91    607.027  130.785 4.4274  126.502 4.4304  4.282478       6.263369  
1 1 1 -2  11  27 o 127.687 3.1375  8870.05    433.917  8968.20    606.820  8767.35    620.719  128.116 4.3731  126.633 4.5256  1.482452       6.293247  
1 1 1 -2  11  28 o 44.038  1.6056  1051.87    76.586   1002.88    108.293  1100.88    108.323  42.901  2.3394  45.021  2.2214  -2.120689      3.226092  
1 1 1 -2  11  29 o 45.396  1.8465  1118.93    90.791   1153.53    95.127   765.144    304.193  46.089  1.9056  36.076  7.9952  10.01320       8.219177  
1 1 1 -2  11  30 o 18.955  1.8727  197.094    37.944   192.655    38.286   442.647    284.775  18.733  1.9139  27.573  8.6015  -8.840366      8.811881  
1 1 1 -2  11  31 o 68.359  2.5864  2550.64    191.498  2681.43    223.451  2188.94    371.611  70.008  2.9469  62.226  5.5728  7.782749       6.303984  
1 1 1 -2  11  32 o 83.207  2.5326  3784.12    228.237  4006.98    321.679  3558.19    323.884  85.273  3.4829  80.256  3.7260  5.017029       5.100351  
1 1 1 -2  11  33 o 33.570  2.1625  618.065    78.208   599.615    80.841   887.586    308.978  33.041  2.2728  37.883  7.7905  -4.841511      8.115271  
1 1 1 -2  11  34 o 20.742  7.3978  254.398    209.742  197.481    294.744  312.786    298.531  20.649  8.3995  22.940  8.7111  -2.290815      12.10105  
1 1 1 -2  11  35 o 23.574  1.9737  307.011    49.933   492.277    388.634  303.901    50.350   26.117  9.9340  23.447  2.0018  2.669365       10.13365  
1 1 1 -2  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  12  2  o 432.056 14.608  101494.50  6836.11  0.0000     0.0000   101494.50  6836.11  ?       ?       432.056 14.608  0.000000       14.60827  
1 1 1 -2  12  3  o 348.551 6.8321  65853.92   2579.25  63967.92   3158.61  69628.14   4468.26  343.435 8.4914  358.089 11.521  -14.65359      14.31189  
1 1 1 -2  12  4  o 471.997 10.847  120979.40  5545.06  120979.40  5545.06  0.0000     0.0000   471.997 10.847  ?       ?       0.000000       10.84666  
1 1 1 -2  12  5  o 415.619 8.1178  93725.70   3654.32  95789.43   6329.89  92694.04   4475.45  419.393 13.935  413.122 10.002  6.271729       17.15293  
1 1 1 -2  12  6  o 187.293 3.6277  19005.63   735.903  19367.44   1040.99  18644.19   1040.46  189.026 5.0846  185.460 5.1797  3.566177       7.258254  
1 1 1 -2  12  7  o 383.845 7.5433  79944.34   3136.08  79482.27   3840.85  80868.58   5431.99  382.546 9.2699  385.325 13.016  -2.778717      15.97918  
1 1 1 -2  12  8  o 156.661 3.3936  13295.20   575.830  12104.77   1356.26  13556.97   635.999  149.131 8.4312  158.192 3.7120  -9.060745      9.212148  
1 1 1 -2  12  9  o 553.698 9.1887  166293.20  5510.57  161898.80  11020.61 167758.20  6363.15  544.985 18.670  555.990 10.567  -11.00488      21.45304  
1 1 1 -2  12  10 o 867.826 28.748  413081.69  27021.56 0.0000     0.0000   413081.69  27021.56 ?       ?       867.826 28.748  0.000000       28.74798  
1 1 1 -2  12  11 o 409.435 6.9390  90853.16   3077.19  88451.78   6153.12  91654.05   3553.47  403.510 14.079  411.185 7.9789  -7.675507      16.18275  
1 1 1 -2  12  12 o 210.016 3.9549  23892.43   899.626  25036.71   1803.35  23513.31   1038.01  214.904 7.7476  208.333 4.6002  6.571075       9.010369  
1 1 1 -2  12  13 o 188.932 7.4181  19351.42   1517.99  19351.42   1517.99  0.0000     0.0000   188.932 7.4181  ?       ?       0.000000       7.418140  
1 1 1 -2  12  14 o 280.655 5.7801  42689.82   1757.02  42867.12   3043.14  42601.16   2151.95  281.018 9.9981  280.308 7.0880  0.7103577      12.25569  
1 1 1 -2  12  15 o 544.740 9.0565  161102.09  5343.44  155142.70  7556.29  167063.00  7557.22  533.851 13.068  554.083 12.593  -20.23199      18.14814  
1 1 1 -2  12  16 o 431.335 7.8934  101000.40  3687.64  101410.40  4830.33  100427.70  5709.45  431.836 10.327  429.372 12.277  2.464661       16.04296  
1 1 1 -2  12  17 o 378.452 6.4809  77727.91   2656.54  77218.15   3756.62  78237.84   3757.20  376.805 9.2047  379.295 9.1457  -2.490051      12.97578  
1 1 1 -2  12  18 o 125.162 3.0578  8488.54    414.533  8864.17    585.714  8111.57    586.763  127.869 4.2291  122.314 4.4291  5.555008       6.123942  
1 1 1 -2  12  19 o 149.764 3.2921  12156.10   534.010  12161.33   754.268  12150.83   756.145  149.738 4.6507  149.673 4.6644  0.6533813E-01  6.586771  
1 1 1 -2  12  20 o 170.913 3.5362  15835.72   654.616  15790.05   924.762  15881.59   926.774  170.579 5.0053  171.073 5.0018  -0.4939880     7.076084  
1 1 1 -2  12  21 o 170.210 3.6973  15709.35   681.608  15259.94   920.192  16255.70   1014.59  167.664 5.0672  173.019 5.4141  -5.354843      7.415434  
1 1 1 -2  12  22 o 165.519 3.6024  14857.48   645.828  14523.19   954.858  15139.36   876.802  163.505 5.3919  166.987 4.8478  -3.482513      7.250767  
1 1 1 -2  12  23 o 114.819 3.0438  7148.06    378.529  6932.98    541.888  7353.02    528.987  113.004 4.4274  116.391 4.1962  -3.387726      6.099972  
1 1 1 -2  12  24 o 38.172  2.2620  792.557    93.105   1260.73    267.859  728.220    99.297   47.855  5.2543  36.564  2.5228  11.29102       5.828586  
1 1 1 -2  12  25 o 85.080  2.7034  3926.80    249.118  3731.65    391.324  4059.79    323.030  82.708  4.3840  86.461  3.4494  -3.753510      5.578376  
1 1 1 -2  12  26 o 52.160  2.2838  1475.99    129.020  1704.49    278.738  1413.69    145.551  55.706  4.6627  50.964  2.6459  4.742443       5.361111  
1 1 1 -2  12  27 o 61.585  2.4373  2059.74    162.577  2132.79    298.351  2028.88    193.893  62.311  4.4500  61.084  2.9306  1.226563       5.328344  
1 1 1 -2  12  28 f 60.101  1.9928  1960.77    129.724  1773.14    182.780  2151.20    184.143  56.995  2.9712  62.889  2.7034  -5.894951      4.017000  
1 1 1 -2  12  29 o 51.638  2.3378  1450.10    130.751  1415.05    142.866  1630.87    324.441  50.920  2.5991  53.955  5.6350  -3.034492      6.205487  
1 1 1 -2  12  30 o 5.5627  2.6342  -50.4375   42.258   -62.3328   42.724   485.634    286.813  5.3240  2.5560  28.682  8.5722  -23.35846      8.945108  
1 1 1 -2  12  31 f 37.512  2.3237  769.810    93.946   756.922    98.430   901.699    314.862  37.173  2.4586  38.870  7.7508  -1.696739      8.131400  
1 1 1 -2  12  32 f ?       ?       -249.1040  29.476   -250.0097  29.637   -166.2967  283.393  ?       ?       15.727  7.2351  0.000000       7.235115  
1 1 1 -2  12  33 o 26.231  1.4678  375.277    41.535   318.549    367.910  376.009    41.802   24.687  9.5936  26.255  1.4760  -1.568279      9.706507  
1 1 1 -2  12  34 o 4.3536  2.1291  -63.2650   33.419   -68.4223   33.633   338.502    296.852  4.2701  2.0980  23.432  8.7314  -19.16206      8.979967  
1 1 1 -2  12  35 o 30.691  8.8457  672.874    310.152  410.044    398.124  1078.65    494.677  24.699  9.8622  36.023  11.353  -11.32372      15.03815  
1 1 1 -2  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  13  1  o 351.971 12.119  67273.84   4620.15  67273.84   4620.15  0.0000     0.0000   351.971 12.119  ?       ?       0.000000       12.11935  
1 1 1 -2  13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  13  3  o 370.840 7.1593  74557.68   2875.60  78578.89   4981.17  72547.64   3521.72  380.321 12.092  365.698 8.8912  14.62338       15.00928  
1 1 1 -2  13  4  o 299.700 6.0777  48687.39   1972.87  48018.55   3417.26  49021.76   2416.20  297.352 10.611  300.659 7.4198  -3.307159      12.94746  
1 1 1 -2  13  5  o 225.257 4.1281  27493.57   1007.16  27511.61   1424.39  27475.54   1424.28  225.271 5.8379  225.123 5.8412  0.1478729      8.258376  
1 1 1 -2  13  6  o 534.599 8.8465  155205.41  5122.38  151634.20  7244.09  158776.70  7244.19  527.640 12.676  539.994 12.386  -12.35352      17.72256  
1 1 1 -2  13  7  o 170.626 3.4563  15772.44   638.742  15686.28   903.889  15858.39   902.748  170.126 4.9054  171.058 4.8725  -0.9316864     6.914055  
1 1 1 -2  13  8  o 297.542 5.1972  47975.83   1674.91  47367.18   3349.22  48178.82   1934.13  295.353 10.470  298.139 5.9896  -2.786255      12.06188  
1 1 1 -2  13  9  o 377.190 6.7895  77111.12   2773.76  71024.90   7740.59  78007.77   2971.06  360.334 19.911  379.355 7.2310  -19.02127      21.18311  
1 1 1 -2  13  10 o 667.476 13.852  241988.00  10013.98 220328.91  24246.92 246442.09  10995.54 630.755 35.637  673.408 15.075  -42.65289      38.69491  
1 1 1 -2  13  11 o 594.691 11.334  191916.00  7300.06  177984.91  12642.70 198883.80  8941.20  571.389 20.429  605.113 13.642  -33.72400      24.56501  
1 1 1 -2  13  12 o 556.524 9.2117  167976.00  5552.54  161033.30  11104.79 170290.41  6411.58  543.626 18.860  560.214 10.567  -16.58813      21.61832  
1 1 1 -2  13  13 o 449.271 15.189  109806.10  7391.12  0.0000     0.0000   109806.10  7391.12  ?       ?       449.271 15.189  0.000000       15.18910  
1 1 1 -2  13  14 o 433.566 8.4588  101975.80  3972.25  104410.60  6880.18  100758.40  4864.98  437.984 14.503  430.779 10.427  7.205109       17.86256  
1 1 1 -2  13  15 o 780.344 12.852  331467.59  10862.19 333241.81  15361.34 329693.31  15361.56 780.435 18.173  776.226 18.272  4.209412       25.77019  
1 1 1 -2  13  16 o 656.575 11.776  234751.00  8374.55  239173.09  13018.93 231629.70  10937.84 660.207 18.206  650.878 15.515  9.329651       23.92072  
1 1 1 -2  13  17 o 197.331 3.8579  21103.78   824.552  21667.15   1165.59  20539.44   1166.59  199.875 5.3842  194.596 5.5350  5.279144       7.721724  
1 1 1 -2  13  18 o 277.363 4.9382  41723.91   1483.49  41254.61   2097.38  42193.75   2098.57  275.589 7.0266  278.717 6.9517  -3.128052      9.884281  
1 1 1 -2  13  19 o 231.058 4.2892  28950.81   1073.41  28937.87   1517.40  28963.77   1518.67  230.852 6.0687  230.955 6.0711  -0.1030273     8.584119  
1 1 1 -2  13  20 o 172.462 3.6408  16125.13   680.078  15173.14   1009.53  16916.12   920.217  167.171 5.5755  176.569 4.8118  -9.398438      7.364767  
1 1 1 -2  13  21 o 197.173 3.8716  21083.47   826.812  20955.04   1168.20  21212.39   1170.37  196.433 5.4908  197.638 5.4674  -1.204849      7.748641  
1 1 1 -2  13  22 o 104.144 3.0198  5879.48    340.627  5791.40    479.140  5969.47    484.341  103.309 4.2821  104.886 4.2635  -1.577080      6.042631  
1 1 1 -2  13  23 o 156.607 3.5450  13303.66   601.299  13656.27   885.243  13001.62   819.310  158.524 5.1558  154.704 4.8896  3.819427       7.105694  
1 1 1 -2  13  24 o 98.090  2.9861  5218.53    317.252  5298.56    451.824  5140.69    445.566  98.764  4.2238  97.281  4.2288  1.482796       5.976849  
1 1 1 -2  13  25 f 106.004 2.9104  6097.71    334.152  6102.78    487.617  6093.22    458.822  105.925 4.2502  105.868 4.0014  0.5691528E-01  5.837375  
1 1 1 -2  13  26 o 118.433 2.9874  7619.46    383.204  8543.09    545.894  6722.17    538.055  125.249 4.0240  111.029 4.4742  14.22005       6.017618  
1 1 1 -2  13  27 o 116.597 2.9050  7392.08    366.862  7778.25    529.978  7036.79    508.339  119.367 4.0993  113.527 4.1341  5.839470       5.821930  
1 1 1 -2  13  28 o 71.886  2.3254  2807.60    181.053  2957.29    374.940  2762.08    206.756  73.254  4.7513  71.263  2.6787  1.990997       5.454366  
1 1 1 -2  13  29 o 37.835  2.1131  780.285    86.245   761.755    89.980   989.689    302.490  37.367  2.2335  41.475  6.9817  -4.107628      7.330280  
1 1 1 -2  13  30 o 30.446  1.8404  505.437    60.405   508.842    61.699   426.830    296.428  30.545  1.8740  27.232  8.8102  3.312933       9.007273  
1 1 1 -2  13  31 o 45.079  2.1756  1106.74    106.225  1119.91    112.630  1000.78    319.575  45.274  2.3045  41.125  7.4487  4.148178       7.797076  
1 1 1 -2  13  32 o 9.6263  3.2356  47.835     39.859   40.372     40.238   438.578    291.142  9.1681  3.2434  26.995  8.7310  -17.82668      9.313991  
1 1 1 -2  13  33 o 2.7338  1.3805  -64.9463   19.505   53.043     30.629   -145.4422  25.298   9.7080  2.7743  ?       ?       0.000000       2.774302  
1 1 1 -2  13  34 o 26.873  1.7045  395.883    49.354   401.101    50.013   201.889    304.934  27.048  1.7161  20.827  8.5158  6.220211       8.687036  
1 1 1 -2  13  35 o 18.642  8.7813  -180.7776  458.371  0.0000     0.0000   -180.7776  458.371  ?       ?       18.642  8.7813  0.000000       8.781313  
1 1 1 -2  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  14  1  o 190.914 3.9489  19744.67   816.558  19863.59   1232.36  19651.61   1090.23  191.451 5.9431  190.440 5.2855  1.010391       7.953435  
1 1 1 -2  14  2  o 378.661 12.949  77921.99   5310.89  0.0000     0.0000   77921.99   5310.89  ?       ?       378.661 12.949  0.000000       12.94930  
1 1 1 -2  14  3  o 433.431 14.670  102244.70  6886.98  102244.70  6886.98  0.0000     0.0000   433.431 14.670  ?       ?       0.000000       14.67027  
1 1 1 -2  14  4  o 102.031 2.5643  5638.77    283.383  5621.57    400.900  5655.95    400.627  101.866 3.6336  102.177 3.6201  -0.3111496     5.129103  
1 1 1 -2  14  5  o 102.072 2.5664  5643.45    283.727  5841.33    400.999  5445.08    401.502  103.835 3.5656  100.250 3.6977  3.585304       5.136772  
1 1 1 -2  14  6  o 76.941  2.4527  3206.60    204.394  3247.64    288.581  3165.29    289.535  77.424  3.4413  76.435  3.4973  0.9884567      4.906517  
1 1 1 -2  14  7  o 472.579 7.9086  121174.90  4048.05  121767.40  5724.94  120582.40  5724.67  473.287 11.168  470.970 11.222  2.317169       15.83249  
1 1 1 -2  14  8  o 318.822 5.5558  55085.95   1918.52  54709.89   2713.08  55462.08   2713.31  317.620 7.8865  319.799 7.8334  -2.179016      11.11574  
1 1 1 -2  14  9  o 318.379 6.4843  54933.89   2236.03  54406.92   5638.71  55032.22   2435.73  315.802 16.543  318.643 7.0575  -2.841766      17.98536  
1 1 1 -2  14  10 o 344.774 6.2244  64411.89   2324.35  59176.85   4316.82  66549.28   2758.33  330.196 12.070  350.410 7.2678  -20.21353      14.08954  
1 1 1 -2  14  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  14  12 o 518.526 8.6287  145796.91  4846.02  149624.20  9692.70  144521.30  5595.57  524.291 17.069  516.136 10.009  8.154785       19.78718  
1 1 1 -2  14  13 o 619.560 16.742  209043.91  11234.55 193335.70  20760.04 215549.30  13359.85 590.407 32.591  628.470 19.627  -38.06244      38.04405  
1 1 1 -2  14  14 o 356.810 7.0796  69032.21   2736.00  73045.81   4739.02  67025.58   3350.85  366.619 11.934  351.467 8.8024  15.15155       14.82950  
1 1 1 -2  14  15 o 296.637 6.0540  47708.63   1945.07  49935.79   3369.16  46595.27   2382.14  303.150 10.261  293.063 7.5047  10.08713       12.71264  
1 1 1 -2  14  16 o 249.936 5.2489  33867.73   1420.91  33075.10   2008.21  34662.34   2010.72  246.848 7.5112  252.714 7.3460  -5.866226      10.50631  
1 1 1 -2  14  17 o 260.176 4.7133  36701.13   1328.20  37031.14   1877.90  36370.79   1878.82  261.195 6.6380  258.850 6.7014  2.345062       9.432517  
1 1 1 -2  14  18 o 334.919 5.8073  60872.77   2106.61  60907.40   2978.78  60838.12   2979.61  334.665 8.2178  334.474 8.2249  0.1915588      11.62674  
1 1 1 -2  14  19 o 219.471 4.3163  26120.67   1026.04  25476.61   1553.27  26619.27   1366.65  216.549 6.6225  221.444 5.6980  -4.894867      8.736395  
1 1 1 -2  14  20 o 180.745 3.8195  17713.40   747.722  17576.54   1004.77  17883.28   1119.37  179.956 5.1550  181.475 5.6949  -1.519348      7.681524  
1 1 1 -2  14  21 o 59.562  2.4702  1922.31    159.358  1919.53    185.809  1930.05    309.890  59.512  2.8826  59.436  4.8562  0.7640457E-01  5.647336  
1 1 1 -2  14  22 o 242.902 5.1894  32047.32   1365.26  31715.73   1679.41  32693.50   2344.41  241.452 6.4218  244.649 8.8475  -3.196518      10.93240  
1 1 1 -2  14  23 o 132.993 3.1903  9591.46    459.553  8947.00    648.638  10240.98   651.181  128.349 4.6659  137.341 4.3775  -8.991745      6.397954  
1 1 1 -2  14  24 o 183.083 3.9115  18200.78   775.646  17889.73   1159.60  18452.62   1043.43  181.203 5.9084  184.152 5.2314  -2.948822      7.891571  
1 1 1 -2  14  25 o 207.127 4.0055  23325.51   898.587  23808.54   1271.96  22844.24   1269.63  208.862 5.6227  204.557 5.7305  4.304062       8.028278  
1 1 1 -2  14  26 o 9.8936  3.0064  53.365     35.063   703.585    222.061  36.739     35.509   35.346  6.0160  8.7366  3.0503  26.60913       6.745116  
1 1 1 -2  14  27 o 103.947 2.9054  5875.40    327.102  5839.82    483.733  5905.37    444.000  103.378 4.3203  104.034 3.9404  -0.6568985     5.847311  
1 1 1 -2  14  28 o 67.627  2.5597  2486.62    187.489  2393.50    361.723  2520.83    219.238  65.770  5.1181  68.043  2.9748  -2.273575      5.919875  
1 1 1 -2  14  29 o 68.036  2.1348  2515.62    157.311  2254.83    221.278  2782.11    223.685  64.275  3.1785  71.444  2.8907  -7.168816      4.296389  
1 1 1 -2  14  30 o 70.842  2.6349  2735.95    202.173  2824.14    239.666  2518.37    376.460  71.887  3.0781  67.133  5.2184  4.754654       6.058612  
1 1 1 -2  14  31 o 91.783  2.9117  4608.69    289.458  4429.44    373.417  4878.55    458.174  89.643  3.8460  93.770  4.5112  -4.126823      5.928118  
1 1 1 -2  14  32 o 23.644  1.4959  304.938    38.110   305.896    38.442   250.200    290.577  23.680  1.5067  22.643  8.5953  1.036585       8.726336  
1 1 1 -2  14  33 o 43.647  4.9001  1091.01    227.644  1038.72    319.050  1145.23    324.904  41.204  7.4221  43.481  7.1474  -2.277409      10.30404  
1 1 1 -2  14  34 o 40.924  1.5612  913.442    69.202   165.875    487.661  928.806    69.909   22.857  10.083  41.266  1.5641  -18.40966      10.20317  
1 1 1 -2  14  35 o 17.586  8.6244  -630.0779  559.980  0.0000     0.0000   -630.0779  559.980  ?       ?       17.586  8.6244  0.000000       8.624425  
1 1 1 -2  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  15  1  o 135.965 2.9063  10013.22   427.996  9652.47    605.257  10374.01   605.297  133.481 4.1865  138.382 4.0385  -4.900848      5.816902  
1 1 1 -2  15  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  15  3  o 413.310 9.3326  92713.89   4177.83  78628.06   5906.74  106815.10  5909.95  380.053 14.349  443.270 12.310  -63.21674      18.90590  
1 1 1 -2  15  4  o 218.436 4.0717  25852.57   963.327  26689.26   1362.40  25016.02   1362.30  221.891 5.6689  214.816 5.8551  7.075043       8.149739  
1 1 1 -2  15  5  o 494.079 11.719  132821.09  6271.31  131865.80  8869.00  133776.30  8868.94  491.125 16.673  494.704 16.552  -3.578430      23.49388  
1 1 1 -2  15  6  o 361.954 6.1969  71042.13   2429.38  70844.66   3435.67  71239.59   3435.65  361.213 8.7817  362.221 8.7572  -1.008026      12.40187  
1 1 1 -2  15  7  o 527.847 8.7760  151220.80  5017.33  154747.41  7095.73  147694.41  7095.44  533.404 12.282  521.053 12.573  12.35089       17.57611  
1 1 1 -2  15  8  o 613.023 13.210  204256.59  8770.70  203128.50  13625.52 205054.80  11460.75 609.734 20.632  613.434 17.249  -3.699524      26.89285  
1 1 1 -2  15  9  o 228.831 4.4579  28366.87   1104.88  26499.11   2876.77  28690.05   1196.65  220.614 12.085  230.125 4.8010  -9.510849      13.00401  
1 1 1 -2  15  10 o 59.378  2.4743  1909.53    159.127  1956.33    313.559  1893.29    184.675  59.894  4.8758  59.124  2.8839  0.7708969      5.664844  
1 1 1 -2  15  11 o 443.428 7.4685  106581.20  3586.98  105880.50  7173.22  106814.80  4142.02  441.362 15.005  443.848 8.6161  -2.485931      17.30320  
1 1 1 -2  15  12 o 419.081 8.1445  95224.60   3696.84  0.0000     0.0000   95224.60   3696.84  ?       ?       419.081 8.1445  0.000000       8.144480  
1 1 1 -2  15  13 o 636.859 16.747  220904.41  11552.14 192874.70  21355.19 232499.91  13735.33 589.143 33.606  652.718 19.429  -63.57507      38.81795  
1 1 1 -2  15  14 o 532.664 11.432  154167.41  6595.39  162173.41  10259.23 148527.91  8610.48  545.135 17.376  522.160 15.225  22.97455       23.10214  
1 1 1 -2  15  15 o 422.409 7.1631  96790.95   3277.21  97248.55   6552.80  96638.32   3784.51  422.345 14.325  421.956 8.2808  0.3886108      16.54606  
1 1 1 -2  15  16 o 351.094 6.0063  66856.86   2284.04  64464.78   4565.55  67655.39   2637.87  343.933 12.256  353.099 6.8974  -9.166534      14.06357  
1 1 1 -2  15  17 o 104.175 3.2065  5880.36    361.798  6141.90    612.236  5740.02    448.486  106.416 5.3118  102.908 4.0237  3.507561       6.663765  
1 1 1 -2  15  18 o 297.647 5.6255  48072.93   1813.56  49112.76   2389.50  46660.10   2785.29  300.640 7.3382  292.825 8.7820  7.815369       11.44430  
1 1 1 -2  15  19 o 201.084 3.9034  21922.11   850.133  21666.74   1201.28  22178.31   1203.26  199.795 5.5513  202.144 5.4958  -2.349472      7.811517  
1 1 1 -2  15  20 f 271.778 5.2011  40091.54   1531.03  37756.95   2341.80  41834.33   2023.33  263.302 8.2116  277.410 6.7340  -14.10794      10.61964  
1 1 1 -2  15  21 o 360.075 6.1823  70467.37   2411.11  72792.66   3409.63  68141.54   3410.01  365.351 8.6164  353.401 8.9088  11.94946       12.39390  
1 1 1 -2  15  22 o 114.272 3.0215  7078.83    373.972  6673.04    520.760  7510.95    537.385  110.889 4.3359  117.651 4.2171  -6.762764      6.048507  
1 1 1 -2  15  23 o 202.094 3.9450  22164.57   863.521  21905.86   1219.77  22424.51   1222.65  200.696 5.6114  203.066 5.5590  -2.369919      7.898690  
1 1 1 -2  15  24 o 145.411 3.3737  11473.89   531.349  11745.46   731.776  11171.04   772.781  146.995 4.5963  143.309 4.9787  3.685989       6.775912  
1 1 1 -2  15  25 o 25.132  1.4888  343.438    40.345   349.247    41.004   167.109    225.912  25.343  1.5005  20.227  7.6013  5.116377       7.747941  
1 1 1 -2  15  26 o 95.561  2.9095  4960.49    301.145  5225.22    430.886  4707.71    421.050  97.936  4.0621  92.943  4.1826  4.992828       5.830489  
1 1 1 -2  15  27 o 141.078 3.1982  10832.69   488.685  11280.28   678.992  10351.67   703.892  143.654 4.3639  137.504 4.7263  6.149979       6.432837  
1 1 1 -2  15  28 o 98.532  2.9550  5286.01    315.359  5367.97    478.408  5223.03    419.372  98.954  4.4637  97.735  3.9617  1.219116       5.968186  
1 1 1 -2  15  29 o 41.153  1.4261  918.631    63.568   954.576    89.522   882.076    90.279   41.921  1.9717  40.237  2.0786  1.683311       2.864968  
1 1 1 -2  15  30 o 51.644  1.4627  1447.36    81.818   1900.15    136.848  1195.48    102.069  59.103  2.1378  46.892  2.0097  12.21098       2.934079  
1 1 1 -2  15  31 o 21.394  2.2653  252.157    51.692   252.134    52.501   252.881    295.653  21.387  2.3027  22.991  8.6837  -1.603958      8.983881  
1 1 1 -2  15  32 o 67.371  4.3427  2535.52    315.197  2336.19    572.073  2622.42    377.698  61.870  8.7836  68.098  5.1591  -6.228516      10.18666  
1 1 1 -2  15  33 o 24.317  8.1784  357.199    254.658  859.538    476.806  156.716    301.219  35.093  11.155  20.641  8.4545  14.45215       13.99679  
1 1 1 -2  15  34 o 17.028  7.6113  -15.9360   287.321  0.0000     0.0000   -15.9360   287.321  ?       ?       17.028  7.6113  0.000000       7.611328  
1 1 1 -2  15  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  16  2  o 112.163 2.7199  6814.32    330.423  7216.54    467.156  6411.64    467.420  115.417 3.7370  108.788 3.9670  6.629181       5.449941  
1 1 1 -2  16  3  o 145.210 3.2174  11422.36   506.028  11338.15   687.724  11521.77   747.239  144.656 4.3894  145.816 4.7313  -1.160400      6.453894  
1 1 1 -2  16  4  o 469.336 15.844  120265.90  8053.95  0.0000     0.0000   120265.90  8053.95  ?       ?       469.336 15.844  0.000000       15.84364  
1 1 1 -2  16  5  o 270.603 4.8278  39688.35   1414.99  40134.66   2001.09  39242.03   2001.11  272.010 6.7922  268.964 6.8692  3.046906       9.660239  
1 1 1 -2  16  6  o 205.492 3.9010  22879.45   868.245  23101.49   1227.96  22657.46   1227.80  206.436 5.4920  204.440 5.5449  1.995514       7.804344  
1 1 1 -2  16  7  o 116.239 2.7680  7318.63    348.488  7564.44    487.133  7060.97    498.745  118.164 3.8062  114.162 4.0336  4.002708       5.545872  
1 1 1 -2  16  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  16  9  f 205.351 4.1568  22842.85   924.539  23935.88   2354.94  22643.69   1005.25  210.057 10.351  204.448 4.5396  5.609406       11.30247  
1 1 1 -2  16  10 f 413.292 6.9813  92571.96   3125.10  95302.55   6249.79  91661.59   3608.64  418.891 13.775  411.202 8.1025  7.689301       15.98133  
1 1 1 -2  16  11 o 437.655 7.8811  103835.70  3735.85  99153.53   10549.29 104507.10  3994.73  425.444 22.979  439.037 8.4007  -13.59271      24.46609  
1 1 1 -2  16  12 o 100.887 3.3524  5513.10    366.316  0.0000     0.0000   5513.10    366.316  ?       ?       100.887 3.3524  0.000000       3.352370  
1 1 1 -2  16  13 o 693.831 16.195  262132.09  12170.06 257178.00  17209.44 267088.19  17212.69 685.287 23.186  698.510 22.751  -13.22284      32.48394  
1 1 1 -2  16  14 o 340.695 7.6478  62956.60   2822.11  66624.72   6572.32  62127.39   3124.85  349.362 17.369  338.380 8.5262  10.98160       19.34877  
1 1 1 -2  16  15 o 326.333 5.6777  57734.32   2006.80  56963.38   4009.22  57992.04   2318.10  323.611 11.438  327.003 6.5450  -3.391632      13.17859  
1 1 1 -2  16  16 o 453.067 7.5672  111439.10  3713.39  102576.20  7424.27  114396.10  4288.33  432.876 15.835  458.869 8.6284  -25.99216      18.03325  
1 1 1 -2  16  17 o 167.943 3.4793  15284.40   632.887  14958.73   1254.82  15395.51   732.940  165.980 6.9800  168.534 4.0152  -2.554199      8.052487  
1 1 1 -2  16  18 o 132.581 3.1688  9525.31    455.033  9673.44    903.288  9474.94    526.751  133.485 6.2477  132.215 3.6784  1.269974       7.250133  
1 1 1 -2  16  19 o 158.710 4.1101  13658.27   706.532  13279.13   1392.54  13789.71   819.902  155.978 8.2723  159.439 4.7479  -3.460968      9.538025  
1 1 1 -2  16  20 o 289.631 5.9526  45564.39   1867.34  47417.02   3234.46  44638.18   2286.98  294.627 10.136  286.444 7.3714  8.183228       12.53286  
1 1 1 -2  16  21 o 205.664 4.4784  22949.99   997.599  22892.50   1409.78  23007.64   1411.86  205.210 6.3428  205.727 6.3362  -0.5162506     8.965427  
1 1 1 -2  16  22 o 118.174 3.0577  7570.80    391.370  7096.39    550.609  8055.23    556.399  114.344 4.4459  121.838 4.2163  -7.493904      6.127278  
1 1 1 -2  16  23 o 287.177 5.8199  44871.02   1810.24  44486.70   2558.96  45255.99   2561.18  285.265 8.2822  287.742 8.2180  -2.476715      11.66747  
1 1 1 -2  16  24 o 44.917  3.9881  1104.35    192.004  1046.97    270.052  1163.02    273.043  43.443  5.8912  45.875  5.6123  -2.431538      8.136635  
1 1 1 -2  16  25 o 42.862  3.9337  1007.22    180.580  1043.67    257.478  971.933    253.331  43.371  5.6128  41.805  5.7469  1.566269       8.033083  
1 1 1 -2  16  26 o 94.461  2.5664  4843.93    262.568  5233.67    372.069  4457.28    370.591  98.085  3.5023  90.484  3.7814  7.600983       5.154145  
1 1 1 -2  16  27 o 30.894  1.6391  519.011    54.649   498.269    255.033  520.010    55.949   29.373  7.8613  30.920  1.6769  -1.547663      8.038129  
1 1 1 -2  16  28 f 105.946 3.0229  6113.45    346.879  6485.86    512.605  5798.86    471.137  108.795 4.3502  102.905 4.2271  5.889542       6.065653  
1 1 1 -2  16  29 o 111.918 3.5878  6851.96    434.914  6728.58    799.745  6903.77    518.245  109.316 6.7881  112.108 4.2680  -2.791809      8.018392  
1 1 1 -2  16  30 o 73.534  2.5348  2946.86    201.887  2523.79    308.068  3265.31    267.280  67.548  4.2322  77.263  3.1939  -9.715240      5.302095  
1 1 1 -2  16  31 o 33.285  1.8891  604.527    67.823   604.416    68.795   608.362    404.821  33.278  1.9167  31.521  10.302  1.757135       10.47877  
1 1 1 -2  16  32 o 35.694  5.8605  740.759    218.705  1229.28    485.995  616.705    244.904  43.544  10.440  31.973  7.2402  11.57046       12.70485  
1 1 1 -2  16  33 o 68.495  4.0030  2630.52    295.679  3029.60    582.875  2492.24    343.101  70.368  7.7778  66.159  4.8213  4.208344       9.150850  
1 1 1 -2  16  34 o 16.601  7.5063  -49.9182   288.581  0.0000     0.0000   -49.9182   288.581  ?       ?       16.601  7.5063  0.000000       7.506317  
1 1 1 -2  16  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  17  1  o 462.169 15.586  116391.60  7801.92  116391.60  7801.92  0.0000     0.0000   462.169 15.586  ?       ?       0.000000       15.58585  
1 1 1 -2  17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  17  3  o 448.877 7.5538  109309.70  3672.52  109692.70  5193.70  108926.70  5193.74  449.270 10.673  447.693 10.711  1.576813       15.12104  
1 1 1 -2  17  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  17  5  o 317.726 5.5271  54727.09   1902.04  55079.97   2689.89  54374.21   2689.88  318.584 7.7954  316.532 7.8459  2.051941       11.06018  
1 1 1 -2  17  6  o 286.443 4.9993  44468.00   1551.01  44991.33   2193.52  43944.73   2193.39  288.016 7.0316  284.641 7.1145  3.374756       10.00301  
1 1 1 -2  17  7  o 394.626 6.6720  84425.16   2851.74  82496.73   4032.90  86353.72   4033.04  389.877 9.5504  398.906 9.3345  -9.029205      13.35449  
1 1 1 -2  17  8  o 548.526 9.1024  163186.00  5407.80  160019.59  7647.83  166352.41  7647.75  542.755 13.010  553.423 12.759  -10.66785      18.22180  
1 1 1 -2  17  9  o 625.477 11.118  212266.50  7531.64  208510.80  11705.77 214919.59  9838.60  619.066 17.458  628.967 14.442  -9.901367      22.65741  
1 1 1 -2  17  10 o 213.616 4.2788  24718.94   989.987  24968.62   2541.40  24674.28   1074.90  214.243 10.989  213.417 4.6501  0.8253021      11.93247  
1 1 1 -2  17  11 o 797.272 13.057  345210.50  11275.02 330920.31  22549.17 349974.41  13019.44 777.075 26.792  802.395 14.981  -25.32062      30.69543  
1 1 1 -2  17  12 o 748.015 17.460  304717.31  14146.05 0.0000     0.0000   304717.31  14146.05 ?       ?       748.015 17.460  0.000000       17.46041  
1 1 1 -2  17  13 o 872.087 20.322  415514.00  19195.49 410829.81  27145.11 420199.19  27147.93 863.225 29.033  873.187 28.705  -9.962036      40.82791  
1 1 1 -2  17  14 o 463.210 9.6978  116495.90  4865.41  106848.40  11590.46 118559.60  5360.58  439.969 24.418  467.179 10.594  -27.20999      26.61751  
1 1 1 -2  17  15 o 771.305 12.669  323967.69  10583.59 343625.09  21167.04 317415.09  12220.91 788.214 24.794  762.698 14.794  25.51599       28.87209  
1 1 1 -2  17  16 o 91.388  2.7627  4524.42    273.456  3904.66    572.312  4707.77    311.289  84.606  6.2904  93.217  3.0832  -8.611557      7.005395  
1 1 1 -2  17  17 o 189.443 3.7626  19450.83   772.035  18355.11   1534.60  19822.12   893.315  183.801 7.7086  191.219 4.3132  -7.418594      8.833282  
1 1 1 -2  17  18 f 172.857 3.5222  16194.27   659.435  15139.71   1307.02  16554.38   763.772  166.919 7.2295  174.746 4.0354  -7.826965      8.279459  
1 1 1 -2  17  19 o 232.903 4.5280  29421.14   1142.22  30302.68   2136.53  29068.35   1351.60  235.928 8.3610  231.428 5.3921  4.500717       9.948947  
1 1 1 -2  17  20 o 263.864 5.0304  37786.29   1437.65  34080.71   3813.20  38400.30   1552.20  248.342 14.236  265.957 5.3885  -17.61525      15.22160  
1 1 1 -2  17  21 o 199.762 4.5128  21652.98   976.400  21897.88   1690.69  21530.42   1196.01  200.502 7.7853  199.097 5.5463  1.405212       9.558865  
1 1 1 -2  17  22 o 75.540  3.6099  3094.90    295.354  2898.32    509.515  3194.39    362.466  72.687  6.5419  76.592  4.3876  -3.905205      7.877037  
1 1 1 -2  17  23 o 59.360  4.1378  1922.06    264.368  2229.64    455.293  1765.61    324.716  63.617  6.7088  56.736  5.3472  6.881134       8.579098  
1 1 1 -2  17  24 o 93.861  3.5082  4781.99    356.653  4981.73    616.011  4681.27    437.424  95.409  5.9916  92.811  4.3515  2.598083       7.405005  
1 1 1 -2  17  25 o 135.805 3.6815  10023.84   541.518  10037.19   942.125  10017.25   661.755  135.399 6.4243  135.639 4.5044  -0.2403412     7.846090  
1 1 1 -2  17  26 o 62.229  1.9387  2100.09    130.667  2427.84    196.522  1840.39    174.938  66.863  2.7137  58.211  2.7747  8.652195       3.881075  
1 1 1 -2  17  27 o 33.186  1.6946  598.849    60.707   963.820    451.203  592.120    61.264   40.361  10.290  32.997  1.7202  7.364555       10.43289  
1 1 1 -2  17  28 o 71.480  3.8349  2800.60    295.815  2748.55    565.657  2820.19    347.055  69.599  7.6288  71.569  4.5001  -1.970444      8.857151  
1 1 1 -2  17  29 o 44.966  5.5790  1137.72    265.878  1178.86    487.787  1120.34    317.129  44.019  10.397  44.211  6.8438  -0.1923676     12.44725  
1 1 1 -2  17  30 o 47.207  2.2205  1212.78    113.533  1226.34    123.775  1140.90    285.041  47.388  2.4196  44.736  6.0370  2.652069       6.503808  
1 1 1 -2  17  31 o 45.047  2.1846  1105.43    106.585  1112.28    114.894  1063.13    285.469  45.104  2.3601  42.861  6.3406  2.242317       6.765607  
1 1 1 -2  17  32 f 46.396  2.2897  1174.85    115.060  1065.28    503.796  1180.88    118.184  40.005  11.189  46.446  2.3570  -6.440868      11.43469  
1 1 1 -2  17  33 o 28.114  1.5256  431.342    46.282   296.499    471.087  432.656    46.507   25.389  10.504  28.156  1.5308  -2.767233      10.61533  
1 1 1 -2  17  34 f 30.676  10.545  710.303    423.622  0.0000     0.0000   710.303    423.622  ?       ?       30.676  10.545  0.000000       10.54549  
1 1 1 -2  17  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  18  1  o 53.365  2.2561  1542.46    130.400  1581.67    184.931  1503.68    183.899  53.941  3.1794  52.586  3.2447  1.355625       4.542720  
1 1 1 -2  18  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  18  3  o 178.246 3.4964  17212.97   675.014  17648.20   954.706  16777.91   954.521  180.451 4.8847  175.942 5.0089  4.509109       6.996422  
1 1 1 -2  18  4  o 390.538 6.5796  82722.82   2783.11  84906.67   3935.82  80538.76   3936.01  395.374 9.1909  385.039 9.4380  10.33502       13.17378  
1 1 1 -2  18  5  o 227.136 4.2135  27955.61   1036.57  28397.18   1465.86  27513.96   1466.01  228.857 5.9137  225.266 6.0086  3.591309       8.430584  
1 1 1 -2  18  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  18  7  o 691.125 16.172  260137.50  12105.78 258966.70  17120.54 261308.30  17119.77 687.596 22.989  690.734 22.883  -3.137329      32.43641  
1 1 1 -2  18  8  o 336.116 5.7731  61215.81   2101.69  58856.54   2972.17  63575.31   2972.31  329.476 8.3288  342.444 8.0137  -12.96796      11.55803  
1 1 1 -2  18  9  o 543.005 9.0127  159875.30  5300.66  159033.91  7496.24  160716.80  7496.29  541.238 12.787  544.101 12.720  -2.863159      18.03678  
1 1 1 -2  18  10 o 316.634 5.4075  54319.16   1854.50  53936.59   3708.15  54446.77   2141.56  315.299 10.858  316.982 6.2377  -1.682587      12.52249  
1 1 1 -2  18  11 o 130.455 3.1098  9217.94    439.402  9568.23    958.844  9124.83    494.367  132.703 6.6927  129.792 3.5167  2.911301       7.560330  
1 1 1 -2  18  12 o 842.957 19.651  387609.59  17941.64 0.0000     0.0000   387609.59  17941.64 ?       ?       842.957 19.651  0.000000       19.65108  
1 1 1 -2  18  13 o 341.671 8.4020  63318.97   3109.30  65552.65   4394.73  61080.24   4399.71  347.393 11.680  335.294 12.115  12.09827       16.82847  
1 1 1 -2  18  14 o 403.908 10.110  88606.16   4422.75  88364.48   9165.00  88679.53   5049.61  400.858 21.184  403.898 11.543  -3.040527      24.12508  
1 1 1 -2  18  15 o 645.137 10.657  226309.00  7446.68  218981.30  14891.82 228752.30  8598.98  630.560 21.805  648.190 12.248  -17.62939      25.00934  
1 1 1 -2  18  16 o 187.375 3.7050  19025.45   751.914  16702.57   1498.39  19807.27   869.290  175.370 7.8886  191.169 4.1983  -15.79933      8.936234  
1 1 1 -2  18  17 o 233.335 4.2911  29515.29   1084.47  31517.83   2162.96  28842.83   1253.39  240.781 8.2938  230.618 5.0179  10.16353       9.693669  
1 1 1 -2  18  18 o 421.829 7.1650  96689.77   3273.60  102473.20  6544.86  94760.12   3780.48  432.220 13.981  417.344 8.3634  14.87650       16.29119  
1 1 1 -2  18  19 o 271.305 4.9245  39935.68   1447.08  38981.41   2887.74  40255.66   1672.19  267.278 9.9753  272.308 5.6696  -5.030243      11.47394  
1 1 1 -2  18  20 o 147.341 3.3039  11767.75   527.247  12283.80   1046.49  11592.20   610.377  150.340 6.4267  146.213 3.8543  4.127701       7.493875  
1 1 1 -2  18  21 o 158.827 3.4274  13676.89   589.608  12323.25   1169.95  14137.72   682.632  150.471 7.1787  161.453 3.9036  -10.98193      8.171392  
1 1 1 -2  18  22 o 153.679 3.4725  12807.99   577.996  14766.25   1138.97  12128.76   670.786  164.733 6.3836  149.504 4.1425  15.22955       7.609857  
1 1 1 -2  18  23 o 330.736 6.1040  59556.16   2186.60  58946.48   4061.76  59804.95   2594.67  326.838 11.474  331.069 7.2359  -4.230591      13.56499  
1 1 1 -2  18  24 o 128.699 3.2797  8988.38    457.174  9404.39    937.370  8858.53    523.682  131.066 6.6246  127.722 3.7856  3.344070       7.629943  
1 1 1 -2  18  25 o 96.091  3.0811  5013.37    320.674  4815.59    625.595  5083.86    373.470  93.609  6.2055  96.722  3.5650  -3.113281      7.156647  
1 1 1 -2  18  26 o 72.175  2.6597  2828.78    207.914  2983.71    564.891  2804.50    223.611  73.159  7.2233  71.848  2.8735  1.310600       7.773858  
1 1 1 -2  18  27 o 133.834 3.1812  9750.70    461.137  11020.44   926.640  9332.74    531.643  141.324 6.0538  130.802 3.7526  10.52177       7.122534  
1 1 1 -2  18  28 o 51.021  4.5363  1439.20    248.069  1485.15    498.364  1424.07    286.021  50.221  9.5102  50.563  5.3016  -0.3413315     10.88806  
1 1 1 -2  18  29 o 110.380 3.3156  6656.29    396.394  6846.38    787.348  6591.75    458.778  110.337 6.6189  109.672 3.8622  0.6651001      7.663316  
1 1 1 -2  18  30 o 71.148  2.8079  2763.14    216.377  2780.49    284.164  2739.20    333.800  71.071  3.7043  70.306  4.4058  0.7659149      5.756151  
1 1 1 -2  18  31 o 49.360  2.2073  1327.56    118.007  1363.97    129.129  1143.03    290.660  50.008  2.3841  44.517  6.1962  5.490704       6.639068  
1 1 1 -2  18  32 o 56.979  4.4079  1819.43    269.913  2165.73    534.298  1700.78    312.755  59.670  8.5082  54.647  5.3528  5.022881       10.05197  
1 1 1 -2  18  33 o 4.6608  2.3501  -176.8495  55.363   -97.6083   450.882  -178.0625  55.785   20.357  9.2745  4.6797  2.3596  15.67768       9.569981  
1 1 1 -2  18  34 o 31.370  10.582  749.062    426.318  0.0000     0.0000   749.062    426.318  ?       ?       31.370  10.582  0.000000       10.58154  
1 1 1 -2  18  35 o 18.816  8.8245  -138.5602  454.245  0.0000     0.0000   -138.5602  454.245  ?       ?       18.816  8.8245  0.000000       8.824539  
1 1 1 -2  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  19  1  o 457.794 10.764  113915.90  5337.13  113915.90  5337.13  0.0000     0.0000   457.794 10.764  ?       ?       0.000000       10.76385  
1 1 1 -2  19  2  o 261.093 4.6257  36943.33   1308.12  36729.05   1849.93  37157.63   1850.00  260.243 6.5631  261.759 6.5253  -1.516083      9.254895  
1 1 1 -2  19  3  o 137.927 2.9775  10305.53   444.803  10479.16   628.986  10131.83   629.108  139.064 4.1760  136.738 4.2478  2.325409       5.956729  
1 1 1 -2  19  4  o 368.068 6.2714  73464.23   2500.13  73782.97   3535.60  73145.46   3535.84  368.621 8.8555  367.020 8.8947  1.600281       12.55133  
1 1 1 -2  19  5  o 297.591 6.0192  48014.24   1940.14  48698.13   3360.96  47672.46   2375.98  299.373 10.365  296.445 7.3999  2.927460       12.73571  
1 1 1 -2  19  6  o 253.420 4.5501  34797.63   1248.91  34647.91   1766.08  34947.39   1766.36  252.807 6.4499  253.898 6.4232  -1.091309      9.102642  
1 1 1 -2  19  7  o 676.484 12.858  248636.41  9420.99  254556.80  11538.39 236796.20  16317.43 683.973 15.575  657.870 22.900  26.10345       27.69503  
1 1 1 -2  19  8  o 250.155 4.4567  33899.72   1207.52  33436.38   1708.20  34362.50   1707.18  248.399 6.3492  251.818 6.2592  -3.418823      8.915735  
1 1 1 -2  19  9  o 108.639 2.7565  6392.34    324.354  6107.61    457.966  6678.91    459.448  106.185 3.9820  111.041 3.8202  -4.856293      5.518129  
1 1 1 -2  19  10 o 280.416 4.9542  42600.50   1504.70  40772.77   3008.23  43210.38   1737.70  274.166 10.130  282.399 5.6812  -8.233215      11.61470  
1 1 1 -2  19  11 o 311.309 5.4625  52510.43   1841.85  49327.55   3684.63  53570.67   2126.61  301.476 11.284  314.412 6.2448  -12.93573      12.89693  
1 1 1 -2  19  12 o 373.139 7.3784  75480.70   2981.99  0.0000     0.0000   75480.70   2981.99  ?       ?       373.139 7.3784  0.000000       7.378446  
1 1 1 -2  19  13 o 412.772 9.9634  92480.34   4454.41  97107.35   6297.63  87847.87   6301.34  422.537 13.761  401.794 14.480  20.74280       19.97549  
1 1 1 -2  19  14 o 355.020 7.7570  68377.41   2982.77  67425.09   6966.81  68591.15   3300.57  350.643 18.409  355.506 8.5718  -4.862823      20.30645  
1 1 1 -2  19  15 o 609.274 10.081  201786.80  6652.65  210313.59  13304.44 198944.00  7681.98  618.691 19.854  604.566 11.732  14.12463       23.06125  
1 1 1 -2  19  16 o 501.525 8.9643  136731.09  4869.47  126785.80  13853.92 138133.00  5201.35  475.049 27.037  503.966 9.5289  -28.91699      28.66736  
1 1 1 -2  19  17 o 357.460 6.6791  69373.91   2585.94  70661.42   7171.77  69181.50   2772.43  357.262 18.598  356.895 7.1722  0.3678589      19.93329  
1 1 1 -2  19  18 f 156.872 3.3839  13337.28   574.961  12918.08   1143.55  13479.10   665.148  154.204 6.8468  157.684 3.8946  -3.480515      7.876958  
1 1 1 -2  19  19 o 401.857 6.8592  87773.48   2985.48  90892.82   5969.13  86732.84   3447.69  406.799 13.548  399.213 7.9736  7.585571       15.71985  
1 1 1 -2  19  20 o 118.543 3.0444  7616.22    390.885  6603.88    756.656  7984.72    456.519  110.051 6.3753  121.362 3.4730  -11.31068      7.259870  
1 1 1 -2  19  21 o 276.191 4.9718  41411.21   1487.29  45172.82   2971.40  40153.76   1717.99  287.524 9.5415  271.840 5.8349  15.68344       11.18422  
1 1 1 -2  19  22 o 200.131 3.9232  21729.97   850.404  20903.46   1693.06  22008.85   983.466  195.731 7.9863  201.353 4.5095  -5.621933      9.171502  
1 1 1 -2  19  23 o 373.022 7.3212  75947.13   2957.92  63996.72   7520.02  78134.45   3217.25  332.652 20.979  378.132 7.8555  -45.47974      22.40169  
1 1 1 -2  19  24 o 142.757 3.4076  11061.86   526.891  9552.80    1002.37  11638.01   619.360  131.991 7.0369  146.376 3.9066  -14.38460      8.048615  
1 1 1 -2  19  25 o 85.266  2.8559  3946.24    263.748  3650.66    408.428  4157.66    345.430  81.729  4.6329  87.457  3.6467  -5.727722      5.895952  
1 1 1 -2  19  26 o 23.305  1.2586  295.171    31.651   316.341    444.594  295.063    31.731   27.749  10.608  23.300  1.2621  4.448275       10.68312  
1 1 1 -2  19  27 o 107.154 2.9092  6245.71    337.636  7607.23    616.406  5662.13    403.560  117.802 4.8311  101.895 3.6567  15.90703       6.058912  
1 1 1 -2  19  28 o 95.026  3.3312  4925.66    342.861  5223.91    683.074  4825.21    396.415  96.658  6.5636  93.927  3.8966  2.730698       7.633111  
1 1 1 -2  19  29 o 42.148  5.3203  998.515    237.461  1663.41    478.676  781.474    273.485  53.298  8.5836  36.669  7.1427  16.62835       11.16673  
1 1 1 -2  19  30 o 63.047  2.8438  2170.38    194.195  1846.18    243.849  2732.48    321.088  57.810  3.9176  70.271  4.2385  -12.46139      5.771690  
1 1 1 -2  19  31 f 52.027  1.9748  1473.17    111.284  1534.35    163.457  1420.31    151.931  52.877  2.8648  50.891  2.7668  1.986130       3.982704  
1 1 1 -2  19  32 o 36.680  6.6382  796.861    254.013  1113.69    485.614  677.522    298.037  41.075  10.780  33.051  8.3288  8.023743       13.62246  
1 1 1 -2  19  33 o 10.299  2.5287  60.531     28.001   224.462    460.196  59.922     28.053   24.123  10.207  10.248  2.5401  13.87516       10.51864  
1 1 1 -2  19  34 o 36.730  10.513  1019.99    439.444  0.0000     0.0000   1019.99    439.444  ?       ?       36.730  10.513  0.000000       10.51274  
1 1 1 -2  19  35 o 26.749  2.1191  396.035    60.890   0.0000     0.0000   396.035    60.890   ?       ?       26.749  2.1191  0.000000       2.119065  
1 1 1 -2  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  19  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  20  1  o 324.210 5.6123  56983.55   1970.77  55904.92   2787.14  58062.10   2787.04  320.952 8.0177  327.099 7.8667  -6.146667      11.23246  
1 1 1 -2  20  2  o 500.137 16.846  136776.20  9125.63  136776.20  9125.63  0.0000     0.0000   500.137 16.846  ?       ?       0.000000       16.84627  
1 1 1 -2  20  3  o 384.528 7.4952  80228.70   3121.62  80181.69   3822.87  80322.79   5407.71  384.230 9.1860  384.014 13.002  0.2161560      15.91929  
1 1 1 -2  20  4  o 418.995 8.2227  95284.59   3731.59  97581.50   4570.04  90689.59   6463.86  423.796 9.9562  407.788 14.635  16.00803       17.70038  
1 1 1 -2  20  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  20  6  o 446.292 7.5060  108003.40  3628.27  111103.70  5131.26  104903.40  5131.03  452.376 10.473  439.539 10.778  12.83652       15.02796  
1 1 1 -2  20  7  o 514.219 9.8250  143446.91  5472.06  148361.09  6702.11  133620.70  9477.20  522.748 11.837  495.335 17.665  27.41272       21.26423  
1 1 1 -2  20  8  o 148.748 3.1623  11984.19   509.474  11973.72   721.017  11994.62   719.994  148.671 4.4776  148.801 4.4674  -0.1297302     6.325074  
1 1 1 -2  20  9  o 496.885 8.3115  133845.41  4473.04  131360.50  6325.87  136330.30  6325.81  491.985 11.871  501.225 11.652  -9.239655      16.63445  
1 1 1 -2  20  10 f 586.650 11.238  186756.20  7140.37  188146.80  12366.90 186060.80  8745.34  587.652 19.430  585.257 13.796  2.394531       23.82974  
1 1 1 -2  20  11 o 881.989 16.651  423309.81  15906.31 410403.59  27549.99 429763.31  19481.37 864.038 29.439  887.662 20.263  -23.62378      35.73823  
1 1 1 -2  20  12 o 916.912 30.507  463632.09  30296.79 0.0000     0.0000   463632.09  30296.79 ?       ?       916.912 30.507  0.000000       30.50694  
1 1 1 -2  20  13 o 994.942 24.270  543631.62  26154.34 534405.50  55354.76 546283.19  29675.71 959.968 53.451  995.391 27.526  -35.42255      60.12186  
1 1 1 -2  20  14 o 297.530 6.5895  48003.66   2123.50  45476.23   4857.74  48600.72   2361.03  288.302 15.615  299.331 7.2825  -11.02866      17.22959  
1 1 1 -2  20  15 o 168.740 3.4533  15426.83   631.144  13283.94   1250.42  16159.41   731.112  156.455 7.3789  172.689 3.9088  -16.23396      8.350317  
1 1 1 -2  20  16 o 223.680 4.3989  27120.88   1065.71  26556.14   2727.30  27222.66   1157.76  220.447 11.462  224.081 4.7703  -3.633636      12.41500  
1 1 1 -2  20  17 o 143.580 3.3006  11171.23   513.284  11099.40   990.431  11197.60   600.169  142.993 6.3950  143.733 3.8552  -0.7393494     7.467145  
1 1 1 -2  20  18 o 279.525 4.9627  42385.09   1502.48  41721.23   3001.61  42607.03   1735.56  276.611 10.019  280.178 5.7192  -3.567444      11.53625  
1 1 1 -2  20  19 o 320.298 5.6079  55694.65   1945.47  54081.23   3887.61  56233.69   2247.08  314.417 11.416  321.717 6.4487  -7.300598      13.11133  
1 1 1 -2  20  20 o 136.605 3.2283  10115.10   477.652  11087.54   946.997  9783.29    553.172  142.852 6.1206  134.322 3.8023  8.529510       7.205480  
1 1 1 -2  20  21 o 227.051 4.2363  27968.25   1041.78  25810.13   2072.15  28698.25   1205.16  217.469 8.7974  229.932 4.8392  -12.46228      10.04052  
1 1 1 -2  20  22 o 205.273 4.5033  22874.56   1001.24  22547.23   2340.79  22947.86   1107.68  202.390 10.716  205.546 4.9755  -3.156158      11.81517  
1 1 1 -2  20  23 o 70.050  3.4387  2662.08    260.896  2760.31    487.925  2622.75    308.738  70.889  6.4246  69.382  4.1271  1.507889       7.635958  
1 1 1 -2  20  24 o 114.372 3.1260  7097.99    387.239  6310.23    758.470  7375.73    450.358  107.284 6.5588  116.553 3.5675  -9.269516      7.466273  
1 1 1 -2  20  25 o 160.568 3.5881  14014.12   624.009  13213.03   1423.70  14204.61   694.246  154.362 8.5488  161.589 3.9667  -7.227325      9.424282  
1 1 1 -2  20  26 o 69.753  2.6263  2642.35    198.414  3169.76    558.582  2566.19    212.257  75.477  6.9095  68.724  2.8516  6.753761       7.474795  
1 1 1 -2  20  27 o 42.135  2.2682  966.877    103.132  994.318    473.147  965.508    105.672  40.887  10.597  42.099  2.3265  -1.212662      10.84949  
1 1 1 -2  20  28 o 51.610  4.4693  1472.14    247.366  1903.69    492.391  1326.45    286.089  57.548  8.1257  48.707  5.5205  8.841808       9.823618  
1 1 1 -2  20  29 f 31.526  2.0725  542.463    70.375   531.041    457.770  542.740    71.222   31.004  10.943  31.531  2.0974  -0.5271931     11.14194  
1 1 1 -2  20  30 o 39.204  5.9157  879.465    243.379  1750.69    475.178  569.632    283.370  54.448  8.3219  30.806  8.3041  23.64120       11.75632  
1 1 1 -2  20  31 o 18.643  2.2516  192.151    44.544   185.201    45.112   462.764    281.487  18.284  2.3310  27.737  8.5352  -9.453043      8.847795  
1 1 1 -2  20  32 o 19.721  8.2447  95.447     294.553  -227.3924  455.329  327.774    386.261  19.725  9.1088  25.453  9.8471  -5.727959      13.41402  
1 1 1 -2  20  33 o 28.767  9.0013  543.019    311.596  590.871    478.166  507.703    410.793  29.665  11.076  28.018  10.303  1.647060       15.12724  
1 1 1 -2  20  34 o 24.158  9.9430  339.006    419.128  0.0000     0.0000   339.006    419.128  ?       ?       24.158  9.9430  0.000000       9.943018  
1 1 1 -2  20  35 o 20.301  9.2654  34.371     452.562  0.0000     0.0000   34.371     452.562  ?       ?       20.301  9.2654  0.000000       9.265360  
1 1 1 -2  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  20  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  21  1  o 93.185  2.5015  4703.54    252.469  4798.20    357.545  4609.41    356.549  94.108  3.5078  92.237  3.5690  1.870651       5.004203  
1 1 1 -2  21  2  o 135.274 2.9517  9912.89    432.466  9532.80    611.762  10292.57   611.437  132.635 4.2585  137.822 4.0960  -5.187347      5.908659  
1 1 1 -2  21  3  o 377.828 6.8818  77429.75   2816.22  76983.77   3694.04  78048.70   4351.78  376.523 9.0581  378.929 10.603  -2.405792      13.94556  
1 1 1 -2  21  4  o 73.769  2.3784  2947.54    190.035  3079.82    268.697  2815.15    268.802  75.400  3.2902  72.086  3.4428  3.313751       4.762151  
1 1 1 -2  21  5  o 373.543 6.3472  75642.92   2567.98  78099.33   3631.56  73186.21   3631.78  379.376 8.8380  367.225 9.1310  12.15155       12.70765  
1 1 1 -2  21  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  21  7  o 630.970 12.068  216126.91  8247.41  218559.30  10101.06 211262.50  14284.68 634.138 14.707  622.262 21.195  11.87640       25.79728  
1 1 1 -2  21  8  o 457.964 7.6593  113680.10  3799.19  109398.10  5372.73  117962.50  5373.00  449.044 11.047  466.321 10.638  -17.27686      15.33620  
1 1 1 -2  21  9  o 281.493 5.7102  42933.03   1740.98  46536.53   3017.18  41134.36   2131.64  292.940 9.5094  275.495 7.1438  17.44501       11.89380  
1 1 1 -2  21  10 o 234.561 4.2754  29804.56   1086.18  30391.04   1536.57  29218.80   1535.62  236.824 5.9904  232.209 6.1057  4.614929       8.553596  
1 1 1 -2  21  11 o 699.889 12.426  266005.31  9419.92  281804.19  17395.38 259450.20  11204.99 718.174 22.363  690.784 14.976  27.39056       26.91463  
1 1 1 -2  21  12 o 250.558 6.4583  34026.88   1752.66  0.0000     0.0000   34026.88   1752.66  ?       ?       250.558 6.4583  0.000000       6.458303  
1 1 1 -2  21  13 o 232.820 5.4504  29376.84   1374.43  29403.54   3017.50  29369.85   1543.88  232.284 12.035  232.770 6.1237  -0.4859619     13.50344  
1 1 1 -2  21  14 o 289.890 5.5231  45553.90   1734.16  45873.77   4687.52  45503.18   1866.59  289.641 14.993  289.707 5.9487  -0.6558228E-01 16.13046  
1 1 1 -2  21  15 f 172.846 3.5239  16187.29   659.708  15076.81   1309.40  16565.06   763.723  166.679 7.2531  174.838 4.0330  -8.159302      8.298943  
1 1 1 -2  21  16 o 140.411 3.2534  10682.49   494.771  10934.34   977.629  10595.78   573.661  141.950 6.3587  139.827 3.7879  2.123688       7.401402  
1 1 1 -2  21  17 o 283.109 5.0276  43470.52   1541.66  41916.09   3079.98  43990.16   1780.80  277.348 10.253  284.728 5.7745  -7.379883      11.76729  
1 1 1 -2  21  18 o 261.923 5.3506  37226.38   1517.91  36737.34   3717.33  37324.24   1662.86  258.534 13.321  262.215 5.8550  -3.681671      14.55054  
1 1 1 -2  21  19 o 251.429 5.1526  34306.68   1403.19  31516.28   3413.34  34874.13   1539.26  239.245 13.224  253.451 5.6072  -14.20622      14.36351  
1 1 1 -2  21  20 o 231.223 4.9168  29015.48   1231.35  28404.79   2957.27  29143.56   1354.34  227.255 12.058  231.682 5.3972  -4.426895      13.21051  
1 1 1 -2  21  21 o 148.518 3.6668  11961.68   589.839  12834.87   1271.94  11722.46   665.751  153.492 7.6509  146.995 4.1816  6.496674       8.719055  
1 1 1 -2  21  22 o 194.024 4.0212  20426.79   845.043  19832.78   1587.21  20661.77   998.294  190.690 7.6848  195.065 4.7251  -4.374573      9.021262  
1 1 1 -2  21  23 f 137.517 3.2663  10257.98   486.500  9520.29    959.933  10512.95   564.346  131.961 6.7387  139.180 3.7437  -7.218597      7.708753  
1 1 1 -2  21  24 o 88.533  2.8308  4251.81    271.443  3882.72    433.912  4489.12    347.930  84.341  4.7696  90.928  3.5329  -6.586830      5.935462  
1 1 1 -2  21  25 o 107.606 3.1036  6288.50    361.717  5636.39    695.671  6530.12    423.460  101.218 6.3783  109.603 3.5671  -8.385742      7.308008  
1 1 1 -2  21  26 o 25.661  6.8472  376.268    193.840  635.846    440.982  314.102    215.806  33.635  10.732  23.890  7.4936  9.745140       13.08892  
1 1 1 -2  21  27 o 103.546 3.0816  5836.18    345.608  6851.24    726.433  5539.20    392.925  111.225 6.0529  100.783 3.5996  10.44225       7.042306  
1 1 1 -2  21  28 o 33.823  1.9129  623.026    69.787   618.364    72.451   682.951    259.757  33.687  1.9946  34.312  7.2182  -0.6253929     7.488702  
1 1 1 -2  21  29 o 21.761  7.6633  242.746    224.388  473.058    440.065  161.828    260.845  29.736  10.704  20.634  8.0615  9.102077       13.40003  
1 1 1 -2  21  30 o 59.030  4.1693  1930.75    264.853  2207.47    528.712  1838.04    306.017  61.300  8.1664  57.313  4.9792  3.986912       9.564634  
1 1 1 -2  21  31 o 49.638  2.0246  1341.51    108.848  1411.52    117.066  894.777    295.725  50.903  2.1233  38.792  7.3064  12.11086       7.608717  
1 1 1 -2  21  32 o 59.752  5.7099  2049.08    365.034  1841.82    543.834  2219.02    492.453  53.955  9.6609  60.912  7.6318  -6.957825      12.31168  
1 1 1 -2  21  33 o 17.637  7.8037  -10.3282   294.322  -192.4463  455.631  120.080    385.557  19.416  9.0171  21.423  9.2118  -2.007063      12.89054  
1 1 1 -2  21  34 o 22.212  9.5520  202.673    414.609  0.0000     0.0000   202.673    414.609  ?       ?       22.212  9.5520  0.000000       9.551969  
1 1 1 -2  21  35 o 31.063  11.067  814.741    469.283  0.0000     0.0000   814.741    469.283  ?       ?       31.063  11.067  0.000000       11.06704  
1 1 1 -2  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  22  1  o 509.150 17.134  141759.00  9448.91  0.0000     0.0000   141759.00  9448.91  ?       ?       509.150 17.134  0.000000       17.13428  
1 1 1 -2  22  2  o 539.437 18.115  159280.09  10583.76 159280.09  10583.76 0.0000     0.0000   539.437 18.115  ?       ?       0.000000       18.11460  
1 1 1 -2  22  3  o 367.169 6.2332  73095.08   2478.83  73775.66   3505.61  72414.50   3505.59  368.659 8.7795  365.234 8.8618  3.424805       12.47436  
1 1 1 -2  22  4  o 312.543 5.4477  52943.66   1844.13  53857.86   2607.96  52029.41   2608.03  315.106 7.6414  309.702 7.7750  5.403748       10.90143  
1 1 1 -2  22  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  22  6  o 598.652 11.487  194555.70  7447.88  200084.91  9121.63  183496.30  12900.47 606.760 13.880  579.844 20.541  26.91669       24.79090  
1 1 1 -2  22  7  o 451.734 7.5635  110610.00  3700.63  109523.00  5233.38  111697.20  5233.59  449.303 10.754  453.749 10.649  -4.445679      15.13453  
1 1 1 -2  22  8  o 531.329 8.8036  153061.09  5066.31  151953.00  7164.98  154169.09  7164.71  529.094 12.503  532.947 12.412  -3.853210      17.61769  
1 1 1 -2  22  9  o 36.309  2.8038  718.305    109.409  729.789    154.527  706.761    154.929  36.489  3.9742  35.892  4.0565  0.5967560      5.678858  
1 1 1 -2  22  10 o 451.456 7.6049  110480.40  3718.58  115044.70  5259.08  105916.90  5258.65  460.484 10.544  441.804 10.989  18.68015       15.22999  
1 1 1 -2  22  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  22  12 o 914.798 21.295  457500.31  21100.03 488726.69  29840.26 426275.19  29839.65 941.583 29.260  878.213 31.371  63.36908       42.89830  
1 1 1 -2  22  13 o 146.438 4.5832  11619.50   726.925  10853.23   1024.91  12395.18   1031.17  141.483 6.6882  151.210 6.2962  -9.726883      9.185575  
1 1 1 -2  22  14 o 410.934 7.3805  91613.23   3284.96  85735.02   9219.71  92467.96   3515.68  394.293 21.672  412.796 7.8633  -18.50317      23.05436  
1 1 1 -2  22  15 o 449.509 7.5558  109683.80  3678.66  107391.80  7355.48  110448.20  4248.10  443.162 15.324  450.899 8.6985  -7.736877      17.62087  
1 1 1 -2  22  16 o 229.723 4.5674  28609.89   1136.43  29920.17   2128.01  28087.12   1344.15  234.627 8.3739  227.563 5.4535  7.064667       9.993120  
1 1 1 -2  22  17 o 494.220 9.0348  132925.41  4836.27  137868.20  13756.07 132228.30  5166.07  494.180 25.790  492.745 9.6798  1.435211       27.54652  
1 1 1 -2  22  18 o 206.794 3.9998  23185.05   895.885  24630.94   1788.04  22700.40   1035.20  212.814 7.7572  204.580 4.6719  8.234375       9.055454  
1 1 1 -2  22  19 o 166.564 3.4909  15039.22   629.784  16509.06   1253.90  14543.34   728.312  174.292 6.6423  163.764 4.1061  10.52740       7.808950  
1 1 1 -2  22  20 o 196.814 4.0639  21008.50   866.307  21945.81   1634.82  20642.54   1021.52  200.798 7.5169  195.033 4.8358  5.765762       8.938078  
1 1 1 -2  22  21 o 51.383  2.4985  1430.75    139.048  1761.41    408.794  1387.49    147.865  56.491  6.8192  50.525  2.7119  5.966022       7.338635  
1 1 1 -2  22  22 o 191.894 3.8409  19977.76   798.302  21302.68   1589.95  19531.17   923.091  197.666 7.4264  189.673 4.4933  7.992661       8.679983  
1 1 1 -2  22  23 o 23.466  1.8060  300.130    45.548   291.919    46.485   497.724    228.032  23.135  1.8711  29.611  7.1835  -6.475267      7.423198  
1 1 1 -2  22  24 o 222.390 4.1788  26884.91   1006.56  23722.35   2004.48  27951.28   1163.95  207.517 8.9182  226.635 4.7417  -19.11786      10.10041  
1 1 1 -2  22  25 o 79.238  3.1212  3410.42    267.869  3319.23    517.235  3443.84    313.133  77.592  6.2066  79.584  3.6327  -1.992043      7.191573  
1 1 1 -2  22  26 o 132.305 3.3249  9524.85    476.456  11461.68   996.705  8951.16    542.449  144.221 6.3807  128.143 3.9083  16.07794       7.482543  
1 1 1 -2  22  27 o 73.799  3.3667  2967.76    269.103  3132.05    573.498  2921.38    304.733  74.686  7.1780  73.048  3.8653  1.637978       8.152574  
1 1 1 -2  22  28 o 42.009  1.7748  957.820    80.754   990.372    84.884   647.511    262.081  42.714  1.8348  33.328  7.4478  9.386059       7.670460  
1 1 1 -2  22  29 o 77.478  3.5452  3285.45    297.498  3050.79    591.277  3364.99    344.245  72.961  7.5935  78.175  4.0798  -5.214531      8.620092  
1 1 1 -2  22  30 o 28.517  7.3893  483.174    230.091  319.141    454.624  539.659    266.782  26.930  10.606  30.008  8.0441  -3.078270      13.31151  
1 1 1 -2  22  31 o 25.287  1.2893  347.947    35.194   351.119    35.340   -33.7290   387.676  25.402  1.2887  20.344  8.9810  5.058735       9.073018  
1 1 1 -2  22  32 o 38.147  8.0497  895.891    322.141  933.842    487.912  866.563    428.920  37.215  11.194  36.272  10.387  0.9431152      15.27079  
1 1 1 -2  22  33 o 14.350  2.7238  117.045    40.786   -148.3917  463.674  119.115    40.944   19.918  9.1958  14.482  2.7099  5.435821       9.586801  
1 1 1 -2  22  34 o 4.6782  2.2859  -71.0595   38.273   0.0000     0.0000   -71.0595   38.273   ?       ?       4.6782  2.2859  0.000000       2.285871  
1 1 1 -2  22  35 o 49.853  2.2895  1371.90    123.622  0.0000     0.0000   1371.90    123.622  ?       ?       49.853  2.2895  0.000000       2.289456  
1 1 1 -2  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  23  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  23  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  23  3  o 376.948 6.4375  77037.87   2628.25  77148.78   3716.91  76926.95   3716.91  377.002 9.1026  376.459 9.1158  0.5436707      12.88238  
1 1 1 -2  23  4  o 457.613 7.7135  113568.60  3823.16  118639.40  5406.83  108498.20  5406.70  467.412 10.680  446.931 11.169  20.48047       15.45360  
1 1 1 -2  23  5  o 366.438 6.2775  72775.55   2491.49  72103.37   3523.30  73447.88   3523.68  364.594 8.9222  367.983 8.8409  -3.388947      12.56054  
1 1 1 -2  23  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  23  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  23  8  o 653.110 15.213  231792.91  10761.79 239747.80  15220.41 223839.91  15218.51 663.157 21.190  640.627 21.933  22.52979       30.49734  
1 1 1 -2  23  9  o 658.079 10.847  234960.30  7731.48  240218.00  10934.20 229703.00  10933.72 664.816 15.185  650.050 15.529  14.76678       21.71964  
1 1 1 -2  23  10 o 449.329 7.5611  109442.20  3679.77  109681.40  5204.16  109203.10  5203.81  449.604 10.687  448.621 10.710  0.9832458      15.12955  
1 1 1 -2  23  11 o 558.023 13.120  169176.00  7929.90  0.0000     0.0000   169176.00  7929.90  ?       ?       558.023 13.120  0.000000       13.12035  
1 1 1 -2  23  12 o 230.379 4.9227  28757.86   1228.33  28991.59   2131.70  28641.68   1502.93  231.192 8.5130  229.883 6.0362  1.309235       10.43582  
1 1 1 -2  23  13 o 284.613 7.1598  43929.98   2207.12  43146.29   3120.56  44714.45   3122.13  281.857 10.222  286.947 10.046  -5.090393      14.33191  
1 1 1 -2  23  14 o 376.466 6.8851  76876.42   2807.40  73222.96   7825.53  77416.08   3007.60  364.737 19.884  377.742 7.3511  -13.00504      21.19944  
1 1 1 -2  23  15 o 286.462 6.1546  44512.34   1909.57  46641.79   4761.74  44104.25   2084.53  291.660 15.126  285.098 6.7506  6.561371       16.56366  
1 1 1 -2  23  16 o 178.474 3.6250  17262.07   700.742  18269.55   1397.38  16923.59   809.943  183.432 7.0334  176.693 4.2322  6.739029       8.208549  
1 1 1 -2  23  17 o 243.408 4.6668  32128.54   1230.34  36109.64   2304.82  30542.02   1454.99  257.683 8.2581  237.248 5.6622  20.43488       10.01288  
1 1 1 -2  23  18 o 131.581 3.1093  9382.72    443.131  8934.38    877.719  9536.09    513.359  128.261 6.3182  132.638 3.5734  -4.377090      7.258706  
1 1 1 -2  23  19 o 121.425 3.1139  7990.96    409.526  8274.98    829.599  7899.46    470.902  123.263 6.2342  120.712 3.6017  2.550781       7.199813  
1 1 1 -2  23  20 o 159.969 3.6340  13874.81   629.635  14099.47   1440.26  13821.73   700.077  160.643 8.3060  159.639 4.0489  1.004227       9.240335  
1 1 1 -2  23  21 o 163.872 3.7544  14564.45   666.369  15826.47   1541.54  14274.43   738.980  170.323 8.3562  162.201 4.2064  8.122284       9.355237  
1 1 1 -2  23  22 o 102.734 2.9741  5721.99    330.927  5723.21    589.353  5721.43    399.927  102.482 5.3279  102.702 3.5953  -0.2201691     6.427481  
1 1 1 -2  23  23 o 22.013  1.9671  264.679    46.406   531.488    343.455  259.717    46.835   31.009  9.4061  21.800  2.0061  9.209200       9.617645  
1 1 1 -2  23  24 o 185.028 3.7538  18598.96   752.287  18906.79   1496.70  18494.91   870.198  185.695 7.4416  184.408 4.3568  1.286469       8.623138  
1 1 1 -2  23  25 o 111.963 3.0995  6809.44    375.872  6594.85    727.073  6887.72    439.100  109.527 6.1539  112.544 3.6022  -3.016716      7.130659  
1 1 1 -2  23  26 o 73.366  3.3446  2929.35    265.775  3345.56    569.100  2813.26    300.564  77.516  6.8489  71.733  3.8830  5.782433       7.873025  
1 1 1 -2  23  27 o 58.780  2.4667  1877.44    157.042  2020.07    514.326  1862.77    164.918  59.479  8.2018  58.539  2.6011  0.9404945      8.604400  
1 1 1 -2  23  28 o 34.328  1.6144  639.360    60.025   649.701    61.751   462.018    255.719  34.603  1.6476  28.181  8.0034  6.422508       8.171244  
1 1 1 -2  23  29 o 91.247  3.4063  4553.93    336.647  3839.73    664.872  4800.15    390.389  81.908  7.5804  93.553  3.8528  -11.64436      8.503323  
1 1 1 -2  23  30 o 32.561  1.9093  578.414    67.040   649.838    462.071  576.878    67.757   32.775  11.017  32.515  1.9327  0.2602348      11.18476  
1 1 1 -2  23  31 o 39.175  1.3333  833.103    56.573   851.779    57.146   -85.1104   400.696  39.612  1.3319  20.045  8.9722  19.56684       9.070501  
1 1 1 -2  23  32 o 42.217  5.9376  1037.69    263.993  573.058    492.676  1224.83    312.669  30.457  11.268  45.618  6.5131  -15.16075      13.01528  
1 1 1 -2  23  33 o 30.938  7.5581  609.765    251.100  991.195    483.640  469.007    293.801  36.664  11.171  26.807  8.7771  9.857119       14.20656  
1 1 1 -2  23  34 o 21.922  9.6746  146.335    449.486  0.0000     0.0000   146.335    449.486  ?       ?       21.922  9.6746  0.000000       9.674616  
1 1 1 -2  23  35 o 20.337  9.2044  73.256     435.098  0.0000     0.0000   73.256     435.098  ?       ?       20.337  9.2044  0.000000       9.204439  
1 1 1 -2  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  24  1  o 198.105 3.8670  21262.47   829.735  21377.38   1173.52  21147.60   1173.32  198.598 5.4556  197.527 5.4843  1.071121       7.735744  
1 1 1 -2  24  2  f 200.950 3.8682  21877.24   841.910  22881.06   1191.00  20874.64   1190.28  205.471 5.3517  196.248 5.5998  9.222610       7.745879  
1 1 1 -2  24  3  o 547.171 12.514  162755.50  7416.37  162755.50  7416.37  0.0000     0.0000   547.171 12.514  ?       ?       0.000000       12.51406  
1 1 1 -2  24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  24  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  24  6  o 571.388 13.433  177307.09  8313.45  177307.09  8313.45  0.0000     0.0000   571.388 13.433  ?       ?       0.000000       13.43322  
1 1 1 -2  24  7  f 624.602 11.845  211710.30  8013.25  207782.00  9813.92  219568.20  13880.12 618.444 14.651  634.846 20.186  -16.40247      24.94272  
1 1 1 -2  24  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  24  9  o 396.254 6.7142  85094.09   2881.62  88831.49   4075.71  81358.41   4074.76  404.730 9.2975  387.307 9.7135  17.42252       13.44605  
1 1 1 -2  24  10 o 459.208 8.9347  114354.60  4443.87  116515.00  5442.92  110035.30  7696.15  463.375 10.845  449.797 15.797  13.57782       19.16175  
1 1 1 -2  24  11 o 376.721 8.4198  76961.15   3435.53  74590.02   5368.92  78605.23   4470.65  370.489 13.380  380.553 10.846  -10.06464      17.22371  
1 1 1 -2  24  12 o 368.659 10.730  73795.54   4284.25  77429.80   7729.61  72183.98   5147.23  376.099 19.037  364.383 13.042  11.71582       23.07616  
1 1 1 -2  24  13 o 479.379 9.2782  124758.10  4817.42  131972.80  8344.47  121151.40  5899.95  491.926 15.661  472.081 11.539  19.84500       19.45307  
1 1 1 -2  24  14 o 68.974  2.4605  2576.97    183.815  2540.45    262.920  2611.87    257.085  68.383  3.5621  69.433  3.4185  -1.049919      4.937129  
1 1 1 -2  24  15 f 430.288 7.7677  100537.80  3620.12  95612.68   10201.21 101247.40  3872.14  414.805 22.793  431.724 8.2808  -16.91998      24.25090  
1 1 1 -2  24  16 o 210.273 4.1566  23967.06   946.656  21177.86   2388.93  24486.64   1031.06  196.763 11.256  212.524 4.4793  -15.76141      12.11481  
1 1 1 -2  24  17 o 248.605 4.8249  33519.30   1299.18  34178.49   2430.17  33255.52   1537.30  250.589 8.9537  247.550 5.7336  3.039642       10.63217  
1 1 1 -2  24  18 o 197.973 4.0445  21250.39   867.240  20562.89   2153.14  21383.53   947.496  193.848 10.292  198.570 4.4055  -4.721954      11.19522  
1 1 1 -2  24  19 o 53.405  3.5780  1553.12    205.768  1301.40    381.888  1656.10    244.257  48.342  7.5396  55.108  4.1221  -6.765816      8.592830  
1 1 1 -2  24  20 o 314.513 5.5455  53719.86   1889.08  57246.60   3775.49  52542.05   2181.83  323.418 10.778  310.887 6.4796  12.53116       12.57579  
1 1 1 -2  24  21 o 230.646 4.5129  28872.44   1127.39  29906.23   2112.64  28460.82   1333.06  234.121 8.3313  228.890 5.3772  5.231064       9.915878  
1 1 1 -2  24  22 o 166.041 3.7565  14957.54   675.565  15969.28   1276.78  14564.15   796.140  171.197 6.8857  163.779 4.4881  7.418304       8.219246  
1 1 1 -2  24  23 f 71.968  3.2365  2809.83    252.283  2315.89    485.206  2992.85    295.345  64.755  7.0310  74.256  3.6722  -9.501213      7.932243  
1 1 1 -2  24  24 o 64.317  3.3830  2252.43    234.839  2717.76    450.647  2078.96    275.153  70.300  5.9751  61.697  4.1416  8.602825       7.270104  
1 1 1 -2  24  25 o 73.797  2.6404  2956.11    211.045  2975.59    303.406  2937.85    293.754  73.852  3.8060  73.395  3.7073  0.4572372      5.313177  
1 1 1 -2  24  26 o 159.331 3.5177  13825.03   607.056  15689.99   1224.08  13216.76   699.080  168.506 6.7070  155.617 4.1476  12.88831       7.885818  
1 1 1 -2  24  27 o 68.909  3.4841  2595.64    259.195  2858.43    541.559  2517.56    295.201  71.319  7.1055  67.753  4.0411  3.565933       8.174261  
1 1 1 -2  24  28 o 75.578  3.6148  3122.52    295.905  3000.39    577.008  3166.10    344.680  72.666  7.4361  75.865  4.2113  -3.199371      8.545756  
1 1 1 -2  24  29 o 122.350 3.3651  8187.65    445.931  8135.94    869.126  8206.12    519.527  120.046 6.7113  122.272 3.9229  -2.225159      7.773729  
1 1 1 -2  24  30 o 29.883  8.7740  537.952    302.628  269.618    459.515  743.480    402.158  26.202  10.548  34.629  10.099  -8.426195      14.60356  
1 1 1 -2  24  31 o 24.532  1.7493  328.903    46.175   328.049    46.487   391.857    398.962  24.498  1.7638  27.024  10.112  -2.526539      10.26471  
1 1 1 -2  24  32 o 33.310  7.0759  671.883    247.405  624.131    479.600  689.199    288.797  31.216  11.181  33.276  8.0912  -2.060295      13.80146  
1 1 1 -2  24  33 o 19.450  7.7340  172.095    243.906  372.104    466.448  96.828     286.142  25.761  10.533  18.933  8.0322  6.828083       13.24588  
1 1 1 -2  24  34 o 33.895  11.164  918.683    475.077  0.0000     0.0000   918.683    475.077  ?       ?       33.895  11.164  0.000000       11.16417  
1 1 1 -2  24  35 o 21.543  9.5226  186.822    437.206  0.0000     0.0000   186.822    437.206  ?       ?       21.543  9.5226  0.000000       9.522619  
1 1 1 -2  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  25  1  o 438.605 8.0532  104348.20  3825.72  108939.00  5926.39  101068.40  5009.28  447.681 12.222  431.389 10.721  16.29150       16.25803  
1 1 1 -2  25  2  o 160.554 3.4449  13963.82   599.062  13981.72   809.078  13942.10   891.276  160.639 4.6502  160.402 5.1302  0.2365570      6.924079  
1 1 1 -2  25  3  o 477.929 11.412  124042.30  5907.58  124042.30  5907.58  0.0000     0.0000   477.929 11.412  ?       ?       0.000000       11.41236  
1 1 1 -2  25  4  o 414.100 6.9542  92948.67   3119.04  93423.89   4411.01  92473.46   4410.97  414.972 9.8141  412.852 9.8644  2.120056       13.91480  
1 1 1 -2  25  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  25  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  25  7  o 393.584 6.5615  83943.77   2797.14  82872.41   3955.55  85015.35   3955.94  390.939 9.3417  395.967 9.2240  -5.028564      13.12825  
1 1 1 -2  25  8  o 450.909 8.2165  110220.80  4012.78  110883.50  5253.26  109292.50  6217.73  452.099 10.728  448.679 12.795  3.420532       16.69714  
1 1 1 -2  25  9  o 307.208 5.7972  51137.78   1928.96  51083.88   2539.19  51211.32   2966.25  306.985 7.6367  307.315 8.9116  -0.3302612     11.73609  
1 1 1 -2  25  10 o 404.450 7.8663  88683.66   3445.92  96077.27   5971.00  84991.50   4219.49  420.565 13.108  395.819 9.8422  24.74561       16.39191  
1 1 1 -2  25  11 o 499.413 9.5595  135315.70  5170.90  134173.59  8957.11  135886.50  6332.74  496.385 16.660  500.241 11.688  -3.855743      20.35118  
1 1 1 -2  25  12 o 463.837 11.018  116852.70  5535.50  113087.60  7827.51  120619.60  7829.26  455.591 15.863  470.607 15.360  -15.01578      22.08068  
1 1 1 -2  25  13 o 96.168  3.3291  5010.06    346.760  5315.50    604.224  4860.05    423.430  98.863  5.6664  94.709  4.1278  4.154099       7.010531  
1 1 1 -2  25  14 o 542.786 9.6926  160108.00  5698.21  152646.41  16279.15 161149.91  6083.04  522.132 28.898  544.423 10.316  -22.29059      30.68457  
1 1 1 -2  25  15 o 397.854 6.7461  85902.61   2906.99  89314.78   5812.83  84764.61   3356.93  404.453 13.269  395.062 7.8452  9.390839       15.41502  
1 1 1 -2  25  16 o 261.119 5.1700  36979.33   1462.16  33926.10   2731.73  38205.30   1731.00  249.588 10.105  265.342 6.0231  -15.75432      11.76402  
1 1 1 -2  25  17 o 219.992 4.4443  26242.74   1058.97  27111.20   2713.17  26086.67   1150.20  222.550 11.293  219.311 4.8422  3.238861       12.28725  
1 1 1 -2  25  18 o 51.410  2.3129  1431.88    128.789  1295.34    393.942  1448.22    136.277  48.190  7.8152  51.701  2.4336  -3.511471      8.185373  
1 1 1 -2  25  19 o 305.965 5.6267  50830.17   1864.64  43797.54   5055.57  51937.49   2006.08  280.696 16.704  309.226 5.9896  -28.52982      17.74575  
1 1 1 -2  25  20 o 268.013 5.3723  39004.55   1559.49  47474.55   4166.07  37624.29   1681.76  293.748 13.094  263.155 5.9004  30.59241       14.36229  
1 1 1 -2  25  21 f 281.021 5.0486  42888.58   1536.66  42831.75   3070.59  42907.57   1774.91  279.644 10.138  280.951 5.8328  -1.306702      11.69604  
1 1 1 -2  25  22 o 153.218 3.3927  12732.88   563.016  11920.84   1119.62  13007.73   651.362  147.884 6.9900  154.826 3.8843  -6.941940      7.996763  
1 1 1 -2  25  23 o 50.868  3.9836  1413.70    217.726  2073.79    413.241  1160.05    256.165  61.353  6.3085  45.878  5.2497  15.47515       8.207126  
1 1 1 -2  25  24 o 175.207 3.7789  16682.20   717.115  15488.99   1696.92  16941.62   791.240  167.072 9.4159  176.503 4.1389  -9.430984      10.28545  
1 1 1 -2  25  25 o 83.126  3.1455  3754.83    283.202  4464.35    553.675  3503.43    329.578  90.119  5.7018  80.234  3.7925  9.884842       6.847951  
1 1 1 -2  25  26 o 86.642  3.1693  4084.22    297.409  4607.05    630.388  3934.53    337.309  91.153  6.4262  84.973  3.6650  6.180206       7.397912  
1 1 1 -2  25  27 o 113.710 3.0699  7040.26    378.088  7008.99    718.729  7052.22    444.573  112.488 5.9200  113.689 3.6104  -1.200729      6.934033  
1 1 1 -2  25  28 o 35.859  2.4045  702.394    92.846   1403.88    467.130  673.542    94.736   48.764  9.1812  35.098  2.5087  13.66676       9.517785  
1 1 1 -2  25  29 o 48.337  6.4663  1333.10    330.053  1521.14    492.329  1179.61    444.810  50.409  9.3619  44.165  9.5748  6.243885       13.39110  
1 1 1 -2  25  30 o 29.113  8.7822  508.278    300.006  989.070    458.614  148.637    396.646  39.622  10.513  23.223  9.6259  16.39913       14.25419  
1 1 1 -2  25  31 o 49.405  2.0013  1329.07    107.091  1403.47    115.055  846.694    292.950  50.756  2.0929  37.596  7.4574  13.15954       7.745557  
1 1 1 -2  25  32 o 42.759  5.6371  1059.29    254.706  1055.00    501.799  1060.78    295.619  39.253  11.233  42.257  6.6811  -3.003819      13.07009  
1 1 1 -2  25  33 o 42.412  5.4553  1061.68    244.790  1265.43    391.530  930.925    313.650  43.963  8.5302  38.061  7.8685  5.902870       11.60506  
1 1 1 -2  25  34 o 20.514  9.2083  55.830     425.284  0.0000     0.0000   55.830     425.284  ?       ?       20.514  9.2083  0.000000       9.208253  
1 1 1 -2  25  35 o 31.140  13.107  1046.74    752.292  0.0000     0.0000   1046.74    752.292  ?       ?       31.140  13.107  0.000000       13.10671  
1 1 1 -2  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  5  o 538.232 8.9313  157075.30  5206.59  155936.09  7363.09  158214.50  7363.37  535.946 12.684  539.857 12.593  -3.910706      17.87388  
1 1 1 -2  26  6  o 245.640 5.1343  32689.13   1366.01  32430.10   1672.69  33207.80   2366.92  244.641 6.3127  247.488 8.8300  -2.847473      10.85443  
1 1 1 -2  26  7  o 352.027 6.0320  67146.70   2299.88  67726.75   3252.39  66566.55   3252.66  353.451 8.4958  350.408 8.5703  3.043793       12.06763  
1 1 1 -2  26  8  o 421.430 7.1320  96257.23   3255.40  97860.14   4603.87  94654.38   4603.80  424.763 10.007  417.737 10.175  7.026245       14.27151  
1 1 1 -2  26  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  26  10 o 646.393 10.647  226738.91  7454.12  236193.91  10542.38 217286.20  10541.07 659.108 14.768  632.068 15.398  27.04004       21.33464  
1 1 1 -2  26  11 o 993.538 18.827  538493.12  20260.10 535090.31  35093.06 540194.31  24812.91 983.040 32.959  993.299 23.064  -10.25977      40.22755  
1 1 1 -2  26  12 o 448.158 8.7169  108978.80  4231.20  106783.80  7327.62  110076.70  5182.50  442.736 15.281  450.198 10.628  -7.461975      18.61360  
1 1 1 -2  26  13 o 190.897 4.6421  19748.34   959.797  19668.40   1546.22  19798.44   1224.20  190.406 7.4976  191.098 5.9146  -0.6920013     9.549659  
1 1 1 -2  26  14 o 315.431 5.9114  53956.19   2019.60  51310.38   3756.20  55032.11   2395.28  307.047 11.295  318.478 6.9440  -11.43173      13.25852  
1 1 1 -2  26  15 o 213.051 4.2587  24602.93   982.715  23685.24   1848.34  24964.56   1160.30  208.794 8.1732  214.576 4.9925  -5.781387      9.577424  
1 1 1 -2  26  16 o 131.732 3.0740  9402.79    438.597  10605.04   879.014  9004.25    506.099  139.805 5.8050  128.897 3.6251  10.90800       6.843957  
1 1 1 -2  26  17 o 604.184 10.060  199015.70  6583.07  199291.70  13165.32 198923.59  7601.64  598.489 20.310  603.365 11.632  -4.876953      23.40496  
1 1 1 -2  26  18 o 373.286 6.9029  75731.41   2790.89  75510.34   7772.11  75764.13   2990.33  367.664 19.588  373.268 7.3965  -5.603302      20.93780  
1 1 1 -2  26  19 o 325.373 5.6858  57488.43   2003.73  58888.02   4006.64  57021.64   2313.87  328.010 11.278  323.898 6.5957  4.111877       13.06489  
1 1 1 -2  26  20 o 182.417 3.7081  18044.24   732.640  18021.83   1464.55  18051.72   846.122  181.947 7.4317  182.415 4.2825  -0.4687347     8.577319  
1 1 1 -2  26  21 o 212.871 4.0989  24586.53   945.062  27485.04   1890.42  23620.77   1091.21  224.519 7.7738  208.572 4.8304  15.94670       9.152328  
1 1 1 -2  26  22 o 168.240 3.6683  15356.92   668.437  14170.59   1553.92  15626.28   740.445  160.631 8.9673  169.677 4.0290  -9.045471      9.830887  
1 1 1 -2  26  23 o 59.269  2.3720  1904.28    152.270  2017.75    187.839  1686.80    260.050  60.995  2.8433  55.546  4.3575  5.449684       5.203056  
1 1 1 -2  26  24 o 83.553  3.1978  3790.47    289.389  3436.72    564.526  3916.56    337.043  78.946  6.6644  84.897  3.6654  -5.950760      7.605881  
1 1 1 -2  26  25 o 158.408 3.4095  13645.64   584.979  17241.28   1193.66  12509.12   671.092  177.210 6.2190  151.531 4.0889  25.67889       7.442832  
1 1 1 -2  26  26 o 50.740  4.1675  1414.95    227.008  1265.35    485.004  1456.91    256.883  46.456  9.9394  51.398  4.6653  -4.941616      10.97985  
1 1 1 -2  26  27 o 36.345  1.3451  716.126    52.950   736.311    54.112   261.031    256.943  36.853  1.3557  22.978  8.1887  13.87553       8.300192  
1 1 1 -2  26  28 o 119.477 3.3307  7793.92    431.017  7938.73    849.418  7743.70    500.197  118.997 6.6166  118.917 3.8835  0.8010864E-01  7.672066  
1 1 1 -2  26  29 o 90.145  3.6946  4455.67    360.730  4554.55    581.384  4393.78    459.979  90.059  5.9945  89.024  4.7881  1.034431       7.672032  
1 1 1 -2  26  30 o 38.206  7.8373  871.280    313.438  1250.15    475.164  579.432    417.038  44.827  10.037  31.113  10.466  13.71355       14.50063  
1 1 1 -2  26  31 o 98.275  3.1540  5301.88    335.713  5801.20    544.545  4995.76    426.381  101.805 4.9385  94.929  4.1469  6.875511       6.448724  
1 1 1 -2  26  32 o 67.238  2.9065  2485.23    211.667  2202.20    573.664  2529.84    227.736  59.000  9.2839  67.769  3.1027  -8.768856      9.788623  
1 1 1 -2  26  33 o ?       ?       -155.6375  40.064   0.0000     0.0000   -155.6375  40.064   ?       ?       ?       ?       0.000000       ?         
1 1 1 -2  26  34 o 16.091  2.5489  146.415    42.944   0.0000     0.0000   146.415    42.944   ?       ?       16.091  2.5489  0.000000       2.548944  
1 1 1 -2  26  35 o 20.612  10.017  -360.2416  707.798  0.0000     0.0000   -360.2416  707.798  ?       ?       20.612  10.017  0.000000       10.01744  
1 1 1 -2  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  27  1  o 215.504 4.0668  25158.54   949.248  25034.34   1342.81  25282.60   1342.07  214.938 5.7681  216.001 5.7365  -1.063858      8.135019  
1 1 1 -2  27  2  o 71.929  2.2854  2802.16    178.049  2664.72    236.334  2982.57    270.761  70.140  3.1109  74.205  3.3689  -4.064262      4.585529  
1 1 1 -2  27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  27  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  27  5  o 576.907 19.209  181204.91  12002.99 181204.91  12002.99 0.0000     0.0000   576.907 19.209  ?       ?       0.000000       19.20937  
1 1 1 -2  27  6  o 649.798 21.565  230197.00  15177.39 230197.00  15177.39 0.0000     0.0000   649.798 21.565  ?       ?       0.000000       21.56494  
1 1 1 -2  27  7  o 343.784 5.9192  64038.30   2204.05  63181.51   3116.91  64895.18   3117.08  341.385 8.4296  345.989 8.3179  -4.603516      11.84260  
1 1 1 -2  27  8  o 227.798 4.2271  28110.19   1042.95  29989.04   1475.21  26232.63   1474.70  235.259 5.7894  220.024 6.1882  15.23526       8.474163  
1 1 1 -2  27  9  o 411.943 6.9383  91974.55   3095.72  92206.80   4378.37  91742.38   4377.65  412.295 9.8047  411.254 9.8279  1.041168       13.88235  
1 1 1 -2  27  10 o 700.037 11.471  266042.50  8697.59  283080.91  12301.12 249008.91  12299.37 721.324 15.745  676.308 16.791  45.01526       23.01811  
1 1 1 -2  27  11 o 670.955 15.545  245078.30  11296.88 258280.20  15978.75 231884.80  15973.66 687.160 21.469  650.732 22.664  36.42853       31.21811  
1 1 1 -2  27  12 o 452.742 8.7958  111236.30  4313.14  108760.60  7468.79  112475.00  5283.13  446.709 15.437  455.026 10.720  -8.317017      18.79378  
1 1 1 -2  27  13 o 505.115 9.7719  138606.30  5346.14  138573.70  9259.62  138622.59  6547.73  503.465 16.981  504.748 11.977  -1.282410      20.77952  
1 1 1 -2  27  14 o 227.548 4.2546  28061.31   1048.58  27054.28   2096.98  28397.07   1210.83  223.167 8.6755  228.878 4.8844  -5.711197      9.955933  
1 1 1 -2  27  15 o 211.109 4.0288  24155.05   921.204  25746.20   1843.13  23625.22   1063.57  217.707 7.8165  208.750 4.7040  8.956741       9.122828  
1 1 1 -2  27  16 o 337.962 5.8565  61978.18   2143.74  65133.46   4287.54  60926.45   2475.37  345.490 11.458  334.963 6.8230  10.52612       13.33548  
1 1 1 -2  27  17 o 93.265  2.9430  4713.33    297.288  4754.75    596.176  4699.62    342.973  93.403  5.9237  93.120  3.4005  0.2837677      6.830396  
1 1 1 -2  27  18 f 55.107  3.3797  1652.22    200.752  2137.88    405.115  1494.14    231.126  62.451  6.0657  52.332  4.1108  10.11967       7.327413  
1 1 1 -2  27  19 o 221.644 4.1904  26643.96   1005.95  27996.34   2011.83  26193.13   1161.59  226.722 8.1927  219.702 4.8814  7.020386       9.536714  
1 1 1 -2  27  20 o 178.044 3.6551  17189.13   704.851  17163.91   1403.26  17197.64   815.142  177.572 7.2962  178.049 4.2269  -0.4773712     8.432141  
1 1 1 -2  27  21 o 130.891 3.2316  9289.23    458.144  9039.50    905.814  9375.08    531.082  128.722 6.5183  131.469 3.7297  -2.747040      7.509919  
1 1 1 -2  27  22 o 143.298 3.3395  11137.94   518.305  12275.76   1027.22  10749.32   600.327  150.135 6.3170  140.732 3.9384  9.402084       7.444203  
1 1 1 -2  27  23 o 197.919 3.9196  21274.84   840.223  21554.68   1673.60  21180.54   971.534  198.377 7.7892  197.382 4.5444  0.9945221      9.017924  
1 1 1 -2  27  24 o 32.989  5.3755  608.877    185.455  380.914    370.107  685.306    214.301  27.864  9.8388  34.952  5.8689  -7.088158      11.45626  
1 1 1 -2  27  25 o 144.754 3.3640  11394.95   527.418  12706.12   1072.28  10976.50   605.760  151.990 6.5136  141.962 3.9397  10.02777       7.612385  
1 1 1 -2  27  26 o 63.655  2.0848  2199.00    143.737  2388.24    223.454  2065.42    187.730  66.251  3.1140  61.638  2.8120  4.613384       4.195782  
1 1 1 -2  27  27 o 60.453  4.1164  2008.33    267.919  1863.60    514.406  2062.20    313.848  56.845  8.6259  61.109  4.7799  -4.264614      9.861690  
1 1 1 -2  27  28 o 84.117  4.7284  3907.70    429.044  4178.31    626.195  3668.25    589.029  86.133  6.7667  80.656  6.8062  5.477005       9.597518  
1 1 1 -2  27  29 o 81.613  3.5351  3649.16    312.482  3746.65    372.762  3418.70    573.122  82.402  4.1904  77.483  6.9015  4.919510       8.074018  
1 1 1 -2  27  30 o 37.340  6.1456  805.742    239.900  863.121    471.850  785.739    278.595  36.880  10.989  36.424  7.3158  0.4558945      13.20131  
1 1 1 -2  27  31 o 37.511  1.3672  763.959    55.545   778.605    79.381   749.909    77.748   37.769  1.9471  37.065  1.9434  0.7037277      2.751044  
1 1 1 -2  27  32 o 26.059  7.9489  419.193    244.780  398.939    473.079  426.597    286.047  27.215  10.787  26.314  8.6627  0.9014339      13.83492  
1 1 1 -2  27  33 o 41.171  2.0553  928.626    91.651   0.0000     0.0000   928.626    91.651   ?       ?       41.171  2.0553  0.000000       2.055276  
1 1 1 -2  27  34 f 19.253  8.8336  -49.3523   418.643  0.0000     0.0000   -49.3523   418.643  ?       ?       19.253  8.8336  0.000000       8.833611  
1 1 1 -2  27  35 o 37.026  13.938  1574.83    760.199  0.0000     0.0000   1574.83    760.199  ?       ?       37.026  13.938  0.000000       13.93797  
1 1 1 -2  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  28  1  o 611.095 20.333  203630.80  13457.78 203630.80  13457.78 0.0000     0.0000   611.095 20.333  ?       ?       0.000000       20.33269  
1 1 1 -2  28  2  o 249.962 4.4240  33847.23   1197.73  34387.12   1694.11  33307.66   1693.60  251.909 6.2091  247.921 6.3071  3.987839       8.850515  
1 1 1 -2  28  3  o 578.224 11.143  181407.59  6978.35  187088.30  8546.50  170044.50  12087.40 586.955 13.444  558.654 19.977  28.30176       24.07884  
1 1 1 -2  28  4  o 399.023 6.7540  86282.82   2918.96  84462.73   4128.06  88102.84   4127.99  394.656 9.6573  403.082 9.4553  -8.425873      13.51544  
1 1 1 -2  28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  28  6  o 304.922 5.2408  50372.10   1730.84  48629.16   2447.64  52115.46   2447.93  299.536 7.5445  310.095 7.2884  -10.55984      10.49000  
1 1 1 -2  28  7  o 217.118 4.0718  25535.32   957.519  26255.85   1353.94  24814.37   1354.34  220.134 5.6786  214.003 5.8430  6.131165       8.147853  
1 1 1 -2  28  8  o 636.152 11.274  219608.59  7768.23  221290.59  10146.97 217227.00  12074.65 638.131 14.681  631.759 17.646  6.371521       22.95481  
1 1 1 -2  28  9  o 364.027 6.1993  71812.30   2444.24  70626.73   3456.68  72997.87   3456.67  360.885 8.8434  366.901 8.6984  -6.016052      12.40437  
1 1 1 -2  28  10 o 304.746 5.3303  50321.75   1759.38  51288.91   2489.40  49356.54   2486.88  307.579 7.4725  301.723 7.6099  5.855896       10.66530  
1 1 1 -2  28  11 o 447.324 8.6678  108551.70  4199.54  112426.10  5144.12  100809.60  7271.67  455.061 10.437  430.245 15.604  24.81543       18.77304  
1 1 1 -2  28  12 o 357.284 7.0941  69228.61   2745.22  73306.41   4755.03  67189.92   3362.14  367.175 11.957  351.847 8.8225  15.32816       14.85929  
1 1 1 -2  28  13 o 419.280 8.1973  95423.74   3722.57  100662.20  6447.95  92804.80   4559.11  429.713 13.854  413.227 10.186  16.48633       17.19577  
1 1 1 -2  28  14 o 217.543 4.1182  25647.66   970.347  27641.72   1941.48  24983.69   1120.31  225.619 7.9449  214.680 4.8181  10.93871       9.291676  
1 1 1 -2  28  15 o 87.110  2.8037  4111.02    264.523  4173.63    505.314  4087.39    310.460  87.560  5.3540  86.852  3.3003  0.7079697      6.289442  
1 1 1 -2  28  16 o 157.782 3.4902  13491.72   596.447  12985.68   1377.11  13608.56   661.735  154.319 8.2691  158.451 3.8558  -4.131912      9.123942  
1 1 1 -2  28  17 f 262.325 5.4461  37342.67   1547.38  35787.53   3801.21  37651.57   1694.10  255.038 13.812  263.357 5.9392  -8.318954      15.03515  
1 1 1 -2  28  18 o 217.424 4.1344  25634.83   973.623  26550.62   1947.50  25329.67   1124.19  220.855 8.1414  216.076 4.8036  4.778091       9.452898  
1 1 1 -2  28  19 o 105.195 2.9729  5997.36    338.724  7501.94    691.096  5521.65    388.600  117.548 5.4282  100.920 3.5551  16.62801       6.488741  
1 1 1 -2  28  20 o 204.748 4.0020  22738.73   887.490  23726.21   1770.31  22407.25   1025.69  208.680 7.8325  203.193 4.6605  5.487335       9.114182  
1 1 1 -2  28  21 o 113.287 3.0221  6957.68    370.821  6461.88    704.500  7147.68    436.126  108.843 5.9991  114.803 3.5074  -5.959282      6.949220  
1 1 1 -2  28  22 o 156.201 3.4382  13236.03   581.689  14552.32   1163.79  12797.68   671.598  163.411 6.5754  153.543 4.0384  9.868286       7.716498  
1 1 1 -2  28  23 o 124.053 3.1397  8350.11    421.852  8768.94    841.437  8209.49    487.551  126.784 6.1275  122.962 3.6608  3.822624       7.137811  
1 1 1 -2  28  24 o 100.811 2.9695  5517.02    324.238  5169.05    664.135  5625.92    371.524  96.960  6.3593  101.765 3.3707  -4.805695      7.197339  
1 1 1 -2  28  25 o 50.408  2.4918  1379.35    136.046  2488.83    491.690  1287.37    141.573  66.852  6.8892  48.614  2.6993  18.23806       7.399204  
1 1 1 -2  28  26 o 135.181 3.4283  9954.45    501.951  9547.43    1000.40  10091.39   580.281  130.970 7.0786  135.981 3.9400  -5.010727      8.101236  
1 1 1 -2  28  27 o 95.910  4.5476  5045.31    472.411  5446.81    684.576  4680.28    652.740  98.840  6.4297  91.508  6.6308  7.331604       9.236237  
1 1 1 -2  28  28 o 21.489  8.4087  173.827    284.143  586.530    431.940  -141.0065  377.264  31.966  10.651  19.247  8.6537  12.71820       13.72327  
1 1 1 -2  28  29 o 36.485  2.3333  727.532    91.723   688.062    96.843   1071.42    285.853  35.447  2.5393  43.277  6.2820  -7.829845      6.775804  
1 1 1 -2  28  30 o 76.666  3.7669  3236.25    312.794  3099.94    601.034  3286.88    366.310  72.812  7.7399  76.910  4.4159  -4.098091      8.911037  
1 1 1 -2  28  31 o 79.373  3.0028  3454.98    258.145  3501.93    354.738  3402.13    376.365  79.364  4.1411  78.056  4.4704  1.308647       6.093724  
1 1 1 -2  28  32 f 18.050  7.3961  103.124    230.630  222.788    457.329  62.312     267.078  24.403  10.242  18.250  7.7520  6.153177       12.84525  
1 1 1 -2  28  33 o 17.583  7.6307  47.047     269.497  0.0000     0.0000   47.047     269.497  ?       ?       17.583  7.6307  0.000000       7.630666  
1 1 1 -2  28  34 o 35.378  10.678  980.135    443.408  0.0000     0.0000   980.135    443.408  ?       ?       35.378  10.678  0.000000       10.67772  
1 1 1 -2  28  35 o 24.277  11.613  143.364    864.600  0.0000     0.0000   143.364    864.600  ?       ?       24.277  11.613  0.000000       11.61315  
1 1 1 -2  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  29  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  29  2  o 302.766 5.7233  49666.81   1876.84  49583.87   2470.84  49779.94   2885.68  302.459 7.5424  303.010 8.7927  -0.5513916     11.58441  
1 1 1 -2  29  3  o 170.819 3.4513  15804.71   638.548  15754.16   902.951  15855.27   903.135  170.531 4.8887  171.077 4.8741  -0.5464935     6.903296  
1 1 1 -2  29  4  o 343.610 5.9068  63971.66   2198.29  64012.04   3108.91  63931.27   3108.80  343.633 8.3530  343.416 8.3580  0.2170715      11.81645  
1 1 1 -2  29  5  o 463.898 7.7801  116643.80  3909.11  116973.20  5528.22  116314.40  5528.41  464.352 10.992  463.040 11.023  1.311768       15.56702  
1 1 1 -2  29  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  29  7  o 167.407 3.4079  15179.75   617.909  15025.51   873.434  15334.29   874.277  166.539 4.8422  168.242 4.7978  -1.703064      6.816618  
1 1 1 -2  29  8  f 430.548 7.2818  100476.10  3395.71  102339.60  4802.25  98612.47   4802.28  434.339 10.208  426.343 10.400  7.996368       14.57252  
1 1 1 -2  29  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  29  10 o 475.889 9.2124  122856.60  4748.40  127088.70  8225.76  120741.50  5815.11  483.223 15.717  471.561 11.385  11.66217       19.40721  
1 1 1 -2  29  11 o 76.282  2.7262  3151.87    225.241  3325.92    267.430  2727.05    417.812  78.358  3.1511  70.723  5.4977  7.635307       6.336685  
1 1 1 -2  29  12 o 486.104 11.553  128476.80  6082.91  134886.91  8602.31  122066.00  8602.75  497.185 15.974  472.777 16.800  24.40765       23.18246  
1 1 1 -2  29  13 o 366.271 6.8091  72774.23   2701.23  76287.82   5014.10  71337.52   3206.28  374.283 12.369  362.503 8.1662  11.77982       14.82128  
1 1 1 -2  29  14 o 376.706 6.4693  76994.46   2639.53  74902.35   5277.49  77692.38   3048.17  370.466 13.153  378.295 7.4394  -7.829071      15.11072  
1 1 1 -2  29  15 o 182.261 3.9012  18004.32   770.121  19247.32   1878.13  17753.08   844.371  188.099 9.2187  180.968 4.3078  7.130722       10.17554  
1 1 1 -2  29  16 o 203.389 3.9237  22423.45   864.352  23195.29   1729.43  22166.46   997.928  206.579 7.7294  202.186 4.5570  4.392731       8.972713  
1 1 1 -2  29  17 o 264.612 5.1063  37988.30   1463.48  35935.15   2734.75  38812.23   1732.42  256.729 9.8350  267.375 5.9822  -10.64639      11.51147  
1 1 1 -2  29  18 o 345.864 5.9790  64963.20   2239.79  72862.44   4479.01  62329.23   2586.39  364.970 11.331  338.595 7.0525  26.37466       13.34623  
1 1 1 -2  29  19 o 466.267 8.5539  118488.00  4319.84  119063.20  7995.99  118250.90  5133.48  463.788 15.918  465.183 10.189  -1.395233      18.89935  
1 1 1 -2  29  20 o 140.152 3.2539  10648.92   493.944  10883.12   987.940  10570.87   570.348  141.463 6.4479  139.612 3.7718  1.851303       7.470045  
1 1 1 -2  29  21 o 193.819 3.8584  20379.85   809.981  21122.10   1619.43  20132.21   935.388  196.817 7.5967  192.578 4.4845  4.239136       8.821641  
1 1 1 -2  29  22 o 132.854 3.2516  9573.69    467.889  10728.06   991.781  9243.22    530.653  140.296 6.5268  130.506 3.7541  9.790771       7.529434  
1 1 1 -2  29  23 o 31.567  1.7317  541.591    58.982   0.0000     0.0000   541.591    58.982   ?       ?       31.567  1.7317  0.000000       1.731728  
1 1 1 -2  29  24 o 61.869  2.0025  2075.33    134.192  2114.19    209.239  2048.18    174.898  62.396  3.0961  61.438  2.6283  0.9583321      4.061271  
1 1 1 -2  29  25 o 60.709  2.1206  1999.53    139.441  1899.33    211.310  2076.83    185.584  58.999  3.3203  61.832  2.7711  -2.832867      4.324724  
1 1 1 -2  29  26 o 32.788  2.1746  586.158    76.788   1248.85    448.485  566.145    77.939   46.275  9.2711  32.213  2.2479  14.06204       9.539750  
1 1 1 -2  29  27 o 31.312  8.5995  573.823    300.570  -23.2781   448.221  1061.74    405.173  22.620  9.8288  42.453  9.0861  -19.83350      13.38514  
1 1 1 -2  29  28 o 55.875  5.7030  1750.05    340.303  2109.69    506.569  1454.26    459.402  60.519  7.9180  49.704  8.8583  10.81488       11.88126  
1 1 1 -2  29  29 o 44.671  2.5102  1090.63    120.958  1009.07    133.427  1466.86    286.565  42.898  2.8885  51.118  5.2504  -8.220566      5.992490  
1 1 1 -2  29  30 o 61.309  4.1534  2086.72    274.172  1725.13    537.167  2214.11    318.829  52.916  9.7310  62.943  4.7109  -10.02679      10.81129  
1 1 1 -2  29  31 o 44.066  2.6031  1065.38    123.687  972.399    135.953  1512.01    297.970  41.999  3.0086  51.518  5.4214  -9.518982      6.200214  
1 1 1 -2  29  32 o 50.844  4.8471  1476.75    263.694  1276.22    518.175  1546.83    306.324  42.797  11.089  51.631  5.5657  -8.833508      12.40716  
1 1 1 -2  29  33 o 46.702  6.1727  1323.46    304.582  0.0000     0.0000   1323.46    304.582  ?       ?       46.702  6.1727  0.000000       6.172670  
1 1 1 -2  29  34 o 59.347  3.3137  1982.73    212.151  0.0000     0.0000   1982.73    212.151  ?       ?       59.347  3.3137  0.000000       3.313695  
1 1 1 -2  29  35 o 27.229  12.573  661.164    867.126  0.0000     0.0000   661.164    867.126  ?       ?       27.229  12.573  0.000000       12.57281  
1 1 1 -2  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  30  1  o 366.357 6.1193  72724.78   2428.16  74560.41   3434.27  70889.86   3433.61  370.858 8.5498  361.604 8.7669  9.253448       12.24574  
1 1 1 -2  30  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  30  3  o 381.329 8.3743  78825.95   3458.72  77149.70   5402.29  79990.31   4502.49  376.973 13.231  384.007 10.825  -7.033905      17.09537  
1 1 1 -2  30  4  o 516.141 8.4651  144417.09  4732.27  150488.41  6692.78  138347.00  6692.10  526.632 11.734  504.897 12.237  21.73431       16.95376  
1 1 1 -2  30  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  30  6  o 617.633 10.185  206910.09  6813.45  212029.20  9635.66  201791.00  9635.69  624.760 14.240  609.442 14.598  15.31787       20.39254  
1 1 1 -2  30  7  o 729.508 17.014  289528.81  13443.61 287050.19  19011.66 292007.59  19012.61 724.680 24.222  730.968 24.014  -6.288452      34.10840  
1 1 1 -2  30  8  o 756.852 14.407  311310.31  11810.45 311377.81  14464.51 311175.31  20457.05 756.266 17.659  754.008 25.049  2.257935       30.64804  
1 1 1 -2  30  9  o 636.607 10.488  219924.09  7231.30  228695.20  10227.04 211154.59  10226.17 648.562 14.559  623.092 15.153  25.47015       21.01347  
1 1 1 -2  30  10 o 414.695 9.0034  93294.13   4043.97  95983.47   6311.33  91420.97   5267.28  420.129 13.870  410.250 11.854  9.879150       18.24525  
1 1 1 -2  30  11 o 242.177 6.2802  31794.66   1647.32  32469.31   2330.63  31121.14   2328.68  244.612 8.7968  239.470 8.9782  5.142242       12.56949  
1 1 1 -2  30  12 o 334.083 9.2742  60606.93   3355.82  63460.60   4050.99  54365.50   5991.03  341.676 10.947  314.824 17.641  26.85260       20.76102  
1 1 1 -2  30  13 o 122.451 3.4910  8124.01    463.001  8055.32    797.950  8158.87    568.486  121.875 6.0449  122.699 4.2777  -0.8238297     7.405357  
1 1 1 -2  30  14 o 146.152 3.3703  11573.97   533.510  11883.70   1028.80  11460.04   623.965  147.991 6.4184  145.416 3.9617  2.574997       7.542556  
1 1 1 -2  30  15 o 211.768 4.0285  24307.85   924.003  22709.65   1847.67  24840.84   1067.01  204.391 8.3463  214.049 4.6024  -9.657654      9.531127  
1 1 1 -2  30  16 o 184.206 3.6891  18391.71   736.038  19129.66   1469.68  18144.65   850.367  187.636 7.2316  182.937 4.2918  4.699203       8.409244  
1 1 1 -2  30  17 o 279.785 5.3594  42480.01   1624.10  43007.33   3031.09  42267.66   1923.52  280.807 9.9660  278.967 6.3661  1.839813       11.82576  
1 1 1 -2  30  18 o 245.469 4.5147  32684.32   1200.32  32799.97   2397.69  32645.64   1386.58  245.309 9.0242  245.257 5.2198  0.5136108E-01  10.42513  
1 1 1 -2  30  19 o 331.866 6.2536  59850.55   2247.82  62324.17   4179.96  58844.18   2666.15  337.291 11.442  328.819 7.4861  8.472290       13.67330  
1 1 1 -2  30  20 o 105.149 3.0481  5993.36    347.139  5981.43    695.344  5997.32    400.638  104.710 6.1583  105.167 3.5172  -0.4572601     7.091911  
1 1 1 -2  30  21 o 71.640  3.3401  2783.19    259.172  3314.51    508.031  2596.26    301.333  77.823  6.0753  69.052  4.0467  8.771057       7.299630  
1 1 1 -2  30  22 o 110.736 3.0447  6650.47    365.178  6527.52    736.038  6690.62    420.595  109.278 6.2446  111.044 3.4970  -1.766312      7.157099  
1 1 1 -2  30  23 o 27.906  6.2386  441.864    183.822  129.685    358.878  552.901    214.031  22.997  9.2994  31.237  6.5361  -8.239164      11.36662  
1 1 1 -2  30  24 o 91.066  3.0812  4503.86    303.913  5355.06    597.757  4207.13    352.933  98.820  5.6079  87.959  3.7046  10.86117       6.721079  
1 1 1 -2  30  25 o 85.650  3.3464  3991.21    310.440  3990.82    620.294  3991.34    358.578  84.776  6.8130  85.585  3.8683  -0.8094940     7.834591  
1 1 1 -2  30  26 o 97.096  4.5512  5160.75    478.628  5575.98    691.028  4777.86    663.571  100.214 6.3998  92.640  6.6577  7.573952       9.234873  
1 1 1 -2  30  27 o 154.244 4.9080  13087.03   819.934  14567.86   1168.75  11651.88   1150.58  161.675 6.6744  143.955 7.4045  17.72049       9.968635  
1 1 1 -2  30  28 o 22.251  1.5675  269.986    37.536   69.908     431.626  271.510    37.678   23.232  9.8609  22.314  1.5689  0.9174328      9.984906  
1 1 1 -2  30  29 f 47.130  2.2153  1208.82    113.087  1223.87    123.318  1129.28    283.560  47.341  2.4130  44.503  6.0388  2.838310       6.503107  
1 1 1 -2  30  30 o 59.936  4.1681  1995.88    268.898  1623.61    530.201  2124.78    312.001  51.120  9.9338  61.638  4.7091  -10.51788      10.99342  
1 1 1 -2  30  31 o 58.151  2.3415  1846.05    147.476  1982.83    168.462  1397.37    305.109  60.214  2.5830  49.290  5.8279  10.92457       6.374706  
1 1 1 -2  30  32 o 28.630  7.6398  515.260    241.305  359.270    477.605  568.728    279.619  26.307  10.696  29.784  8.3379  -3.477341      13.56155  
1 1 1 -2  30  33 o 24.874  9.7222  387.668    379.516  0.0000     0.0000   387.668    379.516  ?       ?       24.874  9.7222  0.000000       9.722154  
1 1 1 -2  30  34 o 21.879  9.5528  187.028    427.758  0.0000     0.0000   187.028    427.758  ?       ?       21.879  9.5528  0.000000       9.552811  
1 1 1 -2  30  35 o 19.837  9.6739  -408.2596  675.892  0.0000     0.0000   -408.2596  675.892  ?       ?       19.837  9.6739  0.000000       9.673878  
1 1 1 -2  30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  31  1  o 512.833 9.1573  142594.50  5086.46  146401.30  6652.85  137238.50  7891.35  519.430 11.825  502.665 14.494  16.76474       18.70633  
1 1 1 -2  31  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  31  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  31  4  o 209.542 4.4625  23785.16   1012.79  25060.36   1241.71  21250.66   1750.56  215.072 5.3305  197.997 8.1630  17.07571       9.749268  
1 1 1 -2  31  5  o 420.612 7.0842  95879.90   3227.34  93624.70   4563.97  98135.45   4564.34  415.474 10.142  425.380 9.9067  -9.905762      14.17767  
1 1 1 -2  31  6  o 150.664 3.1637  12295.00   516.263  12542.24   730.367  12048.11   729.846  152.160 4.4317  149.132 4.5185  3.028397       6.329010  
1 1 1 -2  31  7  f 801.615 26.567  351999.41  23066.21 351999.41  23066.21 0.0000     0.0000   801.615 26.567  ?       ?       0.000000       26.56685  
1 1 1 -2  31  8  o 592.927 9.8168  190712.30  6304.34  190853.30  8915.54  190571.30  8915.83  592.644 13.889  592.204 13.900  0.4394531      19.65020  
1 1 1 -2  31  9  f 772.580 12.701  324258.31  10628.06 334013.41  15030.72 314504.19  15029.99 782.953 17.725  759.599 18.269  23.35370       25.45383  
1 1 1 -2  31  10 o 218.262 4.7065  25811.71   1112.63  25059.86   1930.98  26185.40   1361.33  214.945 8.2943  219.810 5.7180  -4.864792      10.07430  
1 1 1 -2  31  11 o 498.650 11.825  135178.59  6386.40  139303.09  9031.58  131053.90  9031.88  505.278 16.503  489.973 17.019  15.30536       23.70649  
1 1 1 -2  31  12 o 273.718 5.6701  40617.05   1680.98  40710.31   2058.81  40430.55   2911.42  273.959 6.9384  272.795 9.8537  1.163971       12.05140  
1 1 1 -2  31  13 o 74.577  2.7578  3012.92    222.764  3092.38    308.044  2925.82    322.528  75.544  3.7648  73.365  4.0749  2.179443       5.547869  
1 1 1 -2  31  14 o 316.681 6.5935  54426.22   2261.55  58913.99   5695.31  53586.11   2464.16  327.772 16.043  314.159 7.2418  13.61319       17.60140  
1 1 1 -2  31  15 o 203.229 4.1772  22389.19   919.485  23068.23   1733.69  22123.43   1084.59  206.041 7.7687  201.979 4.9578  4.061340       9.215877  
1 1 1 -2  31  16 o 136.049 3.2931  10030.85   485.254  9440.17    1020.19  10203.56   551.655  131.614 7.1838  137.202 3.7122  -5.588013      8.086256  
1 1 1 -2  31  17 o 202.214 3.9083  22169.06   855.982  23174.89   1712.91  21834.27   988.221  206.424 7.6613  200.642 4.5474  5.782333       8.909222  
1 1 1 -2  31  18 o 198.957 4.0624  21465.38   875.407  20780.41   2169.89  21598.54   956.720  194.782 10.322  199.548 4.4266  -4.766037      11.23127  
1 1 1 -2  31  19 o 202.313 4.1064  22200.05   899.827  24305.57   1698.70  21378.80   1060.90  211.324 7.4216  198.469 4.9353  12.85577       8.912726  
1 1 1 -2  31  20 o 161.099 3.4610  14072.87   603.907  13740.28   1207.68  14183.77   697.358  158.867 7.0186  161.699 3.9818  -2.831955      8.069371  
1 1 1 -2  31  21 o 116.053 3.1251  7302.85    392.810  7621.85    748.194  7181.47    461.534  118.376 5.8355  115.055 3.7036  3.321419       6.911592  
1 1 1 -2  31  22 o 127.019 3.1987  8752.04    440.060  8471.97    872.352  8847.64    509.659  124.479 6.4928  127.676 3.6855  -3.196983      7.465902  
1 1 1 -2  31  23 o 98.008  3.0425  5212.84    322.975  4749.32    644.468  5368.29    373.225  92.995  6.4380  99.428  3.4657  -6.432777      7.311604  
1 1 1 -2  31  24 f 143.877 3.3452  11250.06   521.296  12134.63   1031.51  10946.64   604.120  148.732 6.4032  141.829 3.9327  6.903275       7.514468  
1 1 1 -2  31  25 o 145.443 4.7923  11568.41   754.940  12106.64   1075.11  11044.88   1060.33  148.101 6.7023  141.368 6.9250  6.733307       9.637280  
1 1 1 -2  31  26 o 180.807 5.3418  17972.51   1046.11  17384.53   1484.66  18552.28   1474.24  176.360 7.7724  182.409 7.4619  -6.049179      10.77453  
1 1 1 -2  31  27 o 50.157  2.4821  1368.07    134.841  2355.22    493.293  1288.35    140.180  64.480  7.1855  48.585  2.6741  15.89487       7.666967  
1 1 1 -2  31  28 o 55.537  2.3686  1677.92    142.476  1734.54    163.389  1498.21    291.068  56.431  2.6732  51.772  5.2640  4.659752       5.903866  
1 1 1 -2  31  29 o 23.840  1.9641  311.085    50.265   78.592     445.289  314.086    50.588   23.384  9.9729  23.956  1.9671  -0.5718765     10.16501  
1 1 1 -2  31  30 o 25.991  7.7485  401.516    234.562  -2.4319    457.279  545.755    273.250  22.381  9.8216  29.989  8.1842  -7.607836      12.78456  
1 1 1 -2  31  31 o 52.606  2.7406  1519.71    155.615  1390.97    177.951  1938.17    320.820  50.167  3.2933  58.478  5.1167  -8.311169      6.084953  
1 1 1 -2  31  32 o 70.473  4.0154  2791.44    305.227  2565.58    591.905  2873.26    356.245  63.343  8.8707  71.061  4.6543  -7.717945      10.01758  
1 1 1 -2  31  33 o 27.094  10.129  507.547    400.178  0.0000     0.0000   507.547    400.178  ?       ?       27.094  10.129  0.000000       10.12949  
1 1 1 -2  31  34 o 28.281  10.316  612.312    410.611  0.0000     0.0000   612.312    410.611  ?       ?       28.281  10.316  0.000000       10.31559  
1 1 1 -2  31  35 o 17.010  8.5103  -1033.5070 657.580  0.0000     0.0000   -1033.5070 657.580  ?       ?       17.010  8.5103  0.000000       8.510313  
1 1 1 -2  31  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  32  1  o 399.881 6.7466  86652.39   2922.05  89200.52   4132.80  84105.23   4132.01  405.596 9.4076  393.826 9.6869  11.76929       13.50336  
1 1 1 -2  32  2  o 253.470 4.5006  34803.21   1235.57  35303.60   1747.81  34303.35   1746.89  255.251 6.3221  251.607 6.4102  3.643982       9.003310  
1 1 1 -2  32  3  o 617.011 14.417  206785.59  9634.51  197535.30  13624.69 216037.41  13625.82 602.068 20.893  629.802 19.975  -27.73383      28.90571  
1 1 1 -2  32  4  o 245.242 4.3765  32580.14   1162.49  33467.66   1644.30  31693.25   1643.71  248.527 6.1085  241.845 6.2751  6.681686       8.757310  
1 1 1 -2  32  5  o 249.844 4.5383  33815.23   1228.10  33867.81   1736.78  33762.66   1736.82  249.999 6.4141  249.610 6.4242  0.3886719      9.078090  
1 1 1 -2  32  6  o 428.721 8.3718  99648.59   3887.42  101140.60  4760.81  96663.38   6734.05  431.804 10.179  421.760 14.741  10.04428       17.91456  
1 1 1 -2  32  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  32  8  o 791.965 18.447  341777.69  15823.54 345834.59  22378.77 337721.50  22376.96 794.229 26.015  784.742 26.327  9.487183       37.01199  
1 1 1 -2  32  9  o 997.930 23.178  545285.19  25052.67 581643.12  35430.39 508929.59  35429.26 1025.66 31.894  957.968 34.146  67.68787       46.72428  
1 1 1 -2  32  10 o 437.264 10.368  103817.80  4910.45  107514.00  6947.76  100128.70  6941.10  444.431 14.433  428.817 14.945  15.61465       20.77660  
1 1 1 -2  32  11 o 440.189 8.5938  105161.30  4097.27  107684.40  7095.43  103899.10  5018.55  444.508 14.738  437.293 10.596  7.214355       18.15133  
1 1 1 -2  32  12 o 235.535 5.0844  30070.95   1297.09  29811.27   1589.50  30588.54   2244.08  234.461 6.2592  237.344 8.7295  -2.882614      10.74162  
1 1 1 -2  32  13 o 468.761 7.8727  119314.10  3997.09  119217.80  5653.09  119410.40  5652.38  467.949 11.154  468.329 11.143  -0.3801270     15.76625  
1 1 1 -2  32  14 o 180.234 3.6133  17603.69   705.370  16996.05   1411.96  17805.77   814.258  176.912 7.3688  181.247 4.1478  -4.335251      8.455949  
1 1 1 -2  32  15 o 253.472 4.9511  34842.76   1359.25  38099.64   2542.97  33540.07   1608.27  264.642 8.8718  248.609 5.9727  16.03328       10.69496  
1 1 1 -2  32  16 o 162.866 3.6124  14377.30   637.237  14595.06   1217.73  14295.18   747.800  163.910 6.8592  162.373 4.2521  1.536957       8.070258  
1 1 1 -2  32  17 o 164.936 3.4572  14745.42   617.598  15425.24   1236.30  14519.35   712.929  168.484 6.7748  163.641 4.0224  4.842407       7.878926  
1 1 1 -2  32  18 o 244.804 4.4974  32508.75   1192.49  31877.54   2382.21  32719.81   1377.51  241.796 9.0962  245.531 5.1798  -3.735153      10.46765  
1 1 1 -2  32  19 o 234.944 4.3734  29946.11   1112.90  28295.81   2221.89  30498.80   1285.82  227.726 9.0083  237.037 5.0083  -9.311417      10.30690  
1 1 1 -2  32  20 o 241.623 4.7926  31696.19   1254.24  31676.22   3266.69  31699.64   1358.36  239.451 12.640  241.584 5.1913  -2.132782      13.66491  
1 1 1 -2  32  21 o 44.255  2.3641  1064.43    112.909  2120.22    411.301  978.379    117.420  62.108  6.1970  42.408  2.5685  19.70006       6.708157  
1 1 1 -2  32  22 o 90.940  2.8196  4484.77    277.723  4417.23    461.756  4523.04    347.627  90.015  4.7530  91.292  3.5157  -1.277237      5.911947  
1 1 1 -2  32  23 o 126.815 3.1432  8729.89    431.733  6971.38    853.133  9335.27    500.560  112.584 7.0315  131.099 3.5252  -18.51489      7.865704  
1 1 1 -2  32  24 o 148.619 3.3654  12006.39   541.732  11049.08   1062.37  12342.79   629.763  141.719 6.9211  150.598 3.8609  -8.878967      7.925203  
1 1 1 -2  32  25 o 78.380  4.7744  3372.50    403.389  3254.10    582.671  3481.49    559.020  76.356  7.1278  79.170  6.5788  -2.813599      9.699845  
1 1 1 -2  32  26 o 77.141  4.8362  3275.89    402.031  3729.90    583.079  2864.46    555.070  81.765  6.6414  71.368  7.2829  10.39756       9.856396  
1 1 1 -2  32  27 o 106.737 3.2249  6213.88    372.822  6391.35    751.856  6156.01    429.322  106.900 6.5248  106.109 3.7356  0.7907257      7.518521  
1 1 1 -2  32  28 o 124.100 3.3746  8419.60    453.597  8546.77    875.528  8372.94    530.318  123.262 6.5818  123.536 3.9635  -0.2732239     7.683011  
1 1 1 -2  32  29 o 53.563  4.4108  1595.22    253.614  1530.78    511.361  1616.24    292.066  50.071  9.7800  53.692  5.0828  -3.620831      11.02192  
1 1 1 -2  32  30 o 34.816  6.4469  709.742    234.158  973.699    473.578  624.330    269.392  38.885  10.839  32.135  7.8152  6.749847       13.36247  
1 1 1 -2  32  31 o 63.518  2.2790  2202.64    156.785  2438.94    236.653  2017.79    209.310  66.550  3.2832  60.475  3.2070  6.075405       4.589554  
1 1 1 -2  32  32 o 20.967  7.8635  235.145    241.533  99.757     481.020  280.788    279.296  22.831  10.045  22.500  8.4525  0.3304157      13.12794  
1 1 1 -2  32  33 o 32.218  9.9033  753.973    379.078  0.0000     0.0000   753.973    379.078  ?       ?       32.218  9.9033  0.000000       9.903344  
1 1 1 -2  32  34 o 46.967  8.4178  1501.80    412.490  0.0000     0.0000   1501.80    412.490  ?       ?       46.967  8.4178  0.000000       8.417819  
1 1 1 -2  32  35 o 24.325  11.109  354.890    651.716  0.0000     0.0000   354.890    651.716  ?       ?       24.325  11.109  0.000000       11.10856  
1 1 1 -2  33  1  o 394.420 6.6743  84301.42   2851.27  86318.81   4032.76  82284.95   4031.85  398.990 9.3319  389.544 9.5560  9.446198       13.35671  
1 1 1 -2  33  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  33  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  33  4  o 439.763 7.4178  104818.10  3533.18  103781.40  4996.77  105854.70  4996.57  437.397 10.547  441.752 10.443  -4.354706      14.84256  
1 1 1 -2  33  5  o 488.622 8.2115  129432.00  4345.74  128085.30  6145.80  130778.80  6145.80  485.813 11.680  490.905 11.559  -5.092194      16.43243  
1 1 1 -2  33  6  o 532.544 8.7547  153778.41  5049.73  150508.91  7141.10  157048.50  7141.70  526.508 12.522  537.853 12.259  -11.34546      17.52439  
1 1 1 -2  33  7  o 608.791 10.075  201069.91  6643.45  208206.00  9395.35  193934.09  9395.17  618.988 14.014  597.321 14.522  21.66699       20.18114  
1 1 1 -2  33  8  o 406.721 6.8517  89665.19   3018.34  88596.71   4268.39  90733.86   4268.77  404.105 9.7521  408.958 9.6373  -4.853577      13.71062  
1 1 1 -2  33  9  f 410.502 8.0422  91388.13   3575.69  91918.02   6194.22  91123.31   4378.98  411.109 13.911  409.760 9.8667  1.348724       17.05490  
1 1 1 -2  33  10 o 295.411 6.0046  47304.75   1921.22  48926.17   2354.38  44073.21   3323.79  300.367 7.2369  284.844 10.774  15.52332       12.97850  
1 1 1 -2  33  11 o 67.814  3.2888  2491.31    241.562  3103.65    421.851  2192.56    294.653  75.494  5.1907  63.464  4.3122  12.02938       6.748186  
1 1 1 -2  33  12 o 396.366 7.8198  85275.33   3357.09  85647.13   4111.67  84531.84   5814.42  397.005 9.5621  393.720 13.635  3.285217       16.65357  
1 1 1 -2  33  13 o 367.239 6.3260  73167.70   2516.23  73911.98   3559.67  72424.40   3557.30  368.775 8.9121  365.033 8.9974  3.742432       12.66407  
1 1 1 -2  33  14 o 109.402 2.9053  6484.63    344.265  6037.38    691.583  6631.96    396.941  105.309 6.0893  110.631 3.3127  -5.322441      6.932064  
1 1 1 -2  33  15 o 395.662 7.3575  85053.09   3152.99  88892.56   5846.10  83478.16   3744.22  402.995 13.394  391.705 8.8254  11.29013       16.03979  
1 1 1 -2  33  16 o 60.021  2.3624  1951.71    153.579  2105.64    402.392  1925.46    166.157  61.983  6.0718  59.614  2.5733  2.368786       6.594637  
1 1 1 -2  33  17 o 190.943 3.9693  19768.12   820.892  19751.77   2022.67  19771.34   898.189  190.031 9.8611  190.936 4.3432  -0.9050751     10.77517  
1 1 1 -2  33  18 o 241.411 4.7558  31620.82   1243.51  31089.22   3243.95  31712.39   1346.35  237.692 12.646  241.721 5.1425  -4.029083      13.65165  
1 1 1 -2  33  19 o 106.147 3.0192  6107.04    347.108  6475.89    696.638  5985.23    400.342  109.011 5.9224  105.067 3.5180  3.944588       6.888497  
1 1 1 -2  33  20 o 136.160 3.2523  10051.90   479.637  9379.45    952.045  10280.62   555.249  131.104 6.7272  137.675 3.7236  -6.570587      7.688992  
1 1 1 -2  33  21 o 215.112 4.3485  25124.57   1013.15  26819.59   1899.32  24450.44   1197.79  221.586 7.9138  212.086 5.2143  9.500076       9.477205  
1 1 1 -2  33  22 o 76.311  3.2204  3159.54    266.175  3074.44    521.274  3189.55    309.577  74.786  6.5001  76.648  3.7291  -1.862305      7.493793  
1 1 1 -2  33  23 o 59.048  3.4920  1900.55    222.341  1818.32    438.428  1929.01    257.975  57.132  7.2482  59.426  4.0319  -2.294456      8.294130  
1 1 1 -2  33  24 o 105.792 4.0745  6095.93    466.873  6243.14    629.942  5916.53    695.419  106.682 5.4702  103.651 6.2233  3.031036       8.285646  
1 1 1 -2  33  25 o ?       ?       -145.7489  32.186   -151.7134  32.301   688.679    382.050  ?       ?       34.439  9.7832  0.000000       9.783245  
1 1 1 -2  33  26 o 138.580 3.4311  10468.75   514.993  11787.22   1097.40  10096.38   583.200  145.569 6.9603  135.945 3.9608  9.624557       8.008345  
1 1 1 -2  33  27 o 68.834  2.6831  2578.85    200.038  2623.08    264.121  2519.33    306.345  69.206  3.5354  67.664  4.2008  1.542152       5.490509  
1 1 1 -2  33  28 o 98.773  3.0977  5326.85    331.396  5249.54    543.252  5372.68    418.227  97.217  5.1779  98.961  3.9019  -1.743340      6.483513  
1 1 1 -2  33  29 o 50.222  4.7186  1409.54    253.662  485.236    502.483  1725.64    293.853  30.218  11.340  55.534  4.9369  -25.31527      12.36830  
1 1 1 -2  33  30 o 54.841  2.4289  1641.09    144.272  2016.42    521.981  1610.05    150.120  57.893  8.5846  54.298  2.5526  3.594555       8.956063  
1 1 1 -2  33  31 o 120.790 3.3128  8041.14    433.411  8183.30    822.021  7986.40    510.070  118.918 6.4057  119.958 3.9258  -1.039742      7.513035  
1 1 1 -2  33  32 o 61.864  4.1800  2166.48    278.440  1873.34    570.140  2258.30    319.079  52.039  10.478  62.794  4.7262  -10.75483      11.49449  
1 1 1 -2  33  33 o 40.673  1.9755  906.176    87.028   0.0000     0.0000   906.176    87.028   ?       ?       40.673  1.9755  0.000000       1.975521  
1 1 1 -2  33  34 o 17.281  8.0091  -106.3425  356.699  0.0000     0.0000   -106.3425  356.699  ?       ?       17.281  8.0091  0.000000       8.009083  
1 1 1 -2  33  35 o 19.040  9.2241  -330.4013  587.724  0.0000     0.0000   -330.4013  587.724  ?       ?       19.040  9.2241  0.000000       9.224141  
1 1 1 -2  34  1  o 322.295 5.6203  56279.10   1961.94  55473.65   2775.01  57084.08   2774.21  319.904 8.0089  324.519 7.8928  -4.614655      11.24450  
1 1 1 -2  34  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  34  3  o 259.833 4.7037  36574.17   1323.74  34739.50   1872.12  38408.61   1872.00  253.186 6.8269  266.230 6.4920  -13.04387      9.420860  
1 1 1 -2  34  4  o 527.913 8.7551  151104.70  5006.03  143309.20  7079.47  158900.80  7079.73  513.778 12.722  541.071 12.081  -27.29352      17.54401  
1 1 1 -2  34  5  o 490.553 8.1736  130459.90  4342.79  132092.00  6141.89  128828.00  6141.39  493.354 11.494  487.207 11.638  6.146637       16.35724  
1 1 1 -2  34  6  o 528.423 8.8006  151416.59  5036.89  151435.80  7123.10  151397.41  7123.38  528.110 12.453  528.042 12.455  0.6713867E-01  17.61270  
1 1 1 -2  34  7  o 469.653 7.8417  119586.00  3988.94  122970.50  5641.37  116202.00  5641.05  476.001 10.942  462.686 11.256  13.31473       15.69845  
1 1 1 -2  34  8  o 562.137 9.3334  171431.70  5682.65  168426.09  8036.46  174437.30  8036.49  556.677 13.329  566.559 13.096  -9.882202      18.68614  
1 1 1 -2  34  9  o 146.694 3.6246  11657.29   575.886  12068.78   1001.74  11454.17   703.815  149.215 6.1983  145.398 4.4692  3.817352       7.641493  
1 1 1 -2  34  10 o 375.496 9.0872  76533.39   3695.77  80391.17   5226.79  72676.15   5226.43  384.442 12.553  365.445 13.204  18.99756       18.21866  
1 1 1 -2  34  11 o 390.343 9.4277  82756.53   3985.85  84565.09   5636.53  80947.58   5637.16  394.033 13.207  385.463 13.502  8.569763       18.88758  
1 1 1 -2  34  12 o 84.429  3.2575  3861.93    297.879  4081.13    365.057  3425.20    515.287  86.784  3.8837  79.241  6.0496  7.543327       7.188928  
1 1 1 -2  34  13 o 135.978 3.1098  10017.90   458.013  10025.71   649.468  10010.17   646.000  136.000 4.4091  135.895 4.3889  0.1048431      6.221169  
1 1 1 -2  34  14 o 65.943  2.7811  2355.92    198.633  2547.35    413.818  2298.61    226.422  68.293  5.6451  65.132  3.2096  3.161697       6.493772  
1 1 1 -2  34  15 o 51.843  3.2344  1462.15    180.713  1490.97    371.840  1453.24    206.775  51.963  6.7674  51.646  3.7214  0.3162956      7.723126  
1 1 1 -2  34  16 o 109.625 2.8855  6511.98    342.610  6192.96    669.695  6625.08    398.741  106.654 5.8193  110.563 3.3298  -3.908691      6.704632  
1 1 1 -2  34  17 o 374.509 6.3910  76194.37   2592.38  82224.16   5185.18  74184.87   2993.34  387.393 12.358  369.324 7.4831  18.06943       14.44686  
1 1 1 -2  34  18 o 297.173 5.2599  47937.54   1693.00  50883.42   3386.43  46955.91   1954.83  305.172 10.245  293.990 6.1391  11.18231       11.94386  
1 1 1 -2  34  19 f 104.966 2.9978  5971.98    340.820  5882.90    684.863  6001.30    392.930  103.857 6.1153  105.208 3.4482  -1.351089      7.020483  
1 1 1 -2  34  20 o 42.026  4.2921  968.444    192.628  1407.79    392.132  828.705    221.151  50.298  7.4209  38.680  5.4283  11.61866       9.194336  
1 1 1 -2  34  21 o 115.656 3.1092  7253.94    389.485  6583.79    769.791  7484.52    451.548  109.739 6.5055  117.455 3.5495  -7.715813      7.410841  
1 1 1 -2  34  22 o 184.757 3.7491  18535.33   750.233  20218.01   1498.61  17972.58   866.654  192.276 7.1960  181.840 4.4003  10.43661       8.434781  
1 1 1 -2  34  23 o 99.475  4.2855  5384.73    461.729  5319.75    652.732  5449.80    653.235  98.436  6.1531  99.652  6.0813  -1.215744      8.651165  
1 1 1 -2  34  24 o 73.925  4.6378  2993.98    369.460  3878.07    563.193  2326.08    489.512  83.810  6.2492  64.580  7.1165  19.23026       9.470881  
1 1 1 -2  34  25 o 84.571  2.5706  3885.32    235.467  3598.44    402.665  4034.40    290.270  80.984  4.6097  86.116  3.1121  -5.131920      5.561891  
1 1 1 -2  34  26 o 41.586  1.7238  938.153    77.643   748.206    113.699  1104.13    106.284  36.973  2.8615  45.092  2.1762  -8.118568      3.594988  
1 1 1 -2  34  27 o 62.003  2.1186  2088.59    142.274  1774.49    216.329  2328.00    188.866  56.884  3.5286  65.400  2.6663  -8.515427      4.422670  
1 1 1 -2  34  28 o 101.267 3.1002  5600.46    340.042  5547.76    725.164  5615.31    384.993  99.016  6.8030  101.282 3.5096  -2.265709      7.654962  
1 1 1 -2  34  29 o 33.615  6.4851  658.668    227.556  474.754    468.233  715.538    260.372  29.652  10.982  34.843  7.1394  -5.190742      13.09898  
1 1 1 -2  34  30 o 44.425  5.2994  1121.54    249.955  1892.53    500.212  864.956    288.565  56.086  8.5007  38.160  7.2467  17.92619       11.17038  
1 1 1 -2  34  31 o 46.443  1.9092  1175.19    96.036   1227.47    102.309  787.668    278.555  47.452  1.9906  36.007  7.3902  11.44554       7.653637  
1 1 1 -2  34  32 o 50.038  2.5287  1380.56    136.604  1536.87    532.992  1369.57    141.324  46.436  10.801  49.802  2.6293  -3.366459      11.11655  
1 1 1 -2  34  33 o 28.115  9.7427  562.775    361.927  0.0000     0.0000   562.775    361.927  ?       ?       28.115  9.7427  0.000000       9.742673  
1 1 1 -2  34  34 o 39.171  9.2504  1111.07    386.192  0.0000     0.0000   1111.07    386.192  ?       ?       39.171  9.2504  0.000000       9.250390  
1 1 1 -2  34  35 o 20.189  9.8635  -380.0304  711.896  0.0000     0.0000   -380.0304  711.896  ?       ?       20.189  9.8635  0.000000       9.863489  
1 1 1 -2  35  1  o 356.845 6.0971  68998.88   2356.51  72643.18   3333.14  65356.90   3332.08  366.056 8.4069  347.192 8.8609  18.86349       12.21437  
1 1 1 -2  35  2  o 500.671 8.2562  135891.80  4477.14  138430.09  6332.03  133354.09  6331.23  505.073 11.575  495.708 11.792  9.365417       16.52370  
1 1 1 -2  35  3  f 623.997 10.266  211208.09  6938.56  216810.80  9812.98  205606.41  9812.24  631.732 14.342  615.139 14.727  16.59290       20.55668  
1 1 1 -2  35  4  o 228.987 4.2229  28404.33   1047.34  29179.75   1481.55  27629.72   1480.78  232.060 5.8945  225.809 6.0545  6.251068       8.449952  
1 1 1 -2  35  5  o 624.572 10.269  211624.80  6946.75  212303.41  9824.38  210946.30  9823.99  625.027 14.512  623.019 14.559  2.007751       20.55619  
1 1 1 -2  35  6  o 346.716 5.9803  65142.29   2245.78  64520.05   3175.79  65764.70   3176.24  344.946 8.5002  348.261 8.4205  -3.315399      11.96490  
1 1 1 -2  35  7  o 115.554 2.8660  7232.31    358.705  7473.13    503.765  6984.62    510.882  117.453 3.9600  113.548 4.1540  3.905449       5.739110  
1 1 1 -2  35  8  o 309.516 5.3837  51913.59   1804.81  53729.36   2553.12  50099.91   2551.65  314.790 7.4883  303.959 7.7506  10.83121       10.77712  
1 1 1 -2  35  9  o 80.600  2.8066  3518.78    245.013  3601.49    483.614  3490.23    284.184  81.330  5.5228  80.269  3.2687  1.061447       6.417612  
1 1 1 -2  35  10 o 455.545 10.866  112777.80  5361.18  114749.00  7581.47  110806.20  7582.25  458.731 15.259  450.725 15.532  8.005890       21.77307  
1 1 1 -2  35  11 o 164.751 4.2414  14708.59   756.844  14145.50   958.905  15638.95   1232.57  161.533 5.4808  169.801 6.7020  -8.268921      8.657686  
1 1 1 -2  35  12 o 156.304 3.3381  13236.77   565.121  13106.84   800.529  13365.85   797.880  155.497 4.7532  157.028 4.6913  -1.530823      6.678369  
1 1 1 -2  35  13 o 170.777 3.6686  15804.73   678.577  16198.45   914.987  15323.51   1011.57  172.847 4.8875  168.085 5.5564  4.761673       7.400081  
1 1 1 -2  35  14 o 412.491 8.1031  92479.66   3620.23  97570.42   6269.48  89933.14   4434.19  422.270 13.708  406.370 10.074  15.89920       17.01183  
1 1 1 -2  35  15 o 543.825 9.0509  160996.30  5331.15  174640.20  10662.62 156448.80  6155.82  562.419 17.504  535.569 10.612  26.84930       20.46953  
1 1 1 -2  35  16 o 400.858 7.3722  87355.33   3200.80  96720.76   5934.84  83513.81   3800.99  420.086 13.044  391.586 8.9619  28.50024       15.82571  
1 1 1 -2  35  17 o 97.301  2.8056  5130.34    295.676  5937.31    617.904  4890.69    336.730  104.441 5.4815  94.991  3.2729  9.450020       6.384241  
1 1 1 -2  35  18 o 169.334 3.6571  15546.49   670.728  14762.30   1580.53  15718.74   740.735  164.301 8.9150  170.249 4.0171  -5.947998      9.778215  
1 1 1 -2  35  19 o 145.860 3.4146  11535.25   539.439  12067.41   1198.76  11400.12   604.055  148.859 7.4351  144.981 3.8468  3.878876       8.371263  
1 1 1 -2  35  20 o 239.717 4.4544  31192.81   1156.54  33890.07   2314.26  30294.95   1335.23  249.077 8.5784  236.138 5.2206  12.93925       10.04211  
1 1 1 -2  35  21 o 161.801 3.4846  14203.28   610.658  13523.04   1216.22  14432.57   706.117  157.423 7.1330  163.055 3.9983  -5.631073      8.177164  
1 1 1 -2  35  22 o 73.565  2.6628  2934.95    212.168  2693.43    303.529  3165.71    296.691  70.297  4.0031  76.358  3.5874  -6.060783      5.375314  
1 1 1 -2  35  23 o 82.872  3.4966  3731.80    313.853  3567.33    545.818  3813.05    383.616  80.480  6.3123  83.595  4.2509  -3.115021      7.610160  
1 1 1 -2  35  24 o 76.672  4.3445  3216.48    359.300  3305.98    578.048  3160.13    458.669  77.117  6.9967  75.731  5.6321  1.385872       8.981943  
1 1 1 -2  35  25 o 34.596  5.9645  677.110    215.422  681.118    440.906  675.854    246.898  34.443  10.696  34.358  6.8746  0.8458710E-01  12.71473  
1 1 1 -2  35  26 o 57.756  3.9588  1831.62    246.151  2096.02    502.861  1748.30    282.283  60.670  7.8357  56.268  4.6742  4.402088       9.123907  
1 1 1 -2  35  27 o 38.005  5.6680  816.661    226.183  831.748    456.161  811.743    260.456  37.136  10.735  37.613  6.6359  -0.4764633     12.62024  
1 1 1 -2  35  28 o 13.770  6.3163  -139.2917  213.863  -30.8811   429.055  -175.1313  246.694  21.781  9.5370  14.563  6.7180  7.217581       11.66564  
1 1 1 -2  35  29 o 56.850  2.5296  1762.62    155.758  1942.95    523.753  1745.12    163.139  57.044  8.7569  56.546  2.6637  0.4980850      9.153087  
1 1 1 -2  35  30 o 40.538  5.5895  941.389    238.894  963.481    491.382  934.551    273.376  38.473  11.147  40.004  6.5351  -1.530445      12.92168  
1 1 1 -2  35  31 o 30.629  1.2354  509.394    40.985   513.776    58.240   505.095    57.686   30.669  1.7607  30.408  1.7590  0.2607765      2.488794  
1 1 1 -2  35  32 o 57.917  5.2077  1954.64    323.189  0.0000     0.0000   1954.64    323.189  ?       ?       57.917  5.2077  0.000000       5.207697  
1 1 1 -2  35  33 o 24.058  9.6169  349.690    379.019  0.0000     0.0000   349.690    379.019  ?       ?       24.058  9.6169  0.000000       9.616924  
1 1 1 -2  35  34 o 33.778  1.6421  623.890    60.077   0.0000     0.0000   623.890    60.077   ?       ?       33.778  1.6421  0.000000       1.642115  
1 1 1 -2  35  35 o 30.147  12.890  1035.66    747.344  0.0000     0.0000   1035.66    747.344  ?       ?       30.147  12.890  0.000000       12.89019  
1 1 1 -2  36  1  o 384.553 6.5575  80138.39   2731.27  79960.20   3862.92  80316.53   3862.29  383.997 9.2879  384.853 9.2657  -0.8558960     13.11940  
1 1 1 -2  36  2  o 218.551 4.0640  25873.67   961.995  26417.77   1360.80  25330.08   1360.14  220.810 5.6899  216.214 5.8080  4.595749       8.130689  
1 1 1 -2  36  3  o 345.416 5.9691  64650.66   2233.17  65504.11   3158.53  63797.59   3157.84  347.592 8.3897  343.030 8.4994  4.562714       11.94262  
1 1 1 -2  36  4  o 676.064 11.046  248022.80  8088.34  250321.30  11438.84 245724.30  11438.45 678.517 15.565  672.233 15.710  6.284241       22.11508  
1 1 1 -2  36  5  o 240.159 4.4189  31245.25   1149.43  31796.19   1626.39  30695.46   1624.70  242.227 6.1991  237.995 6.3028  4.232361       8.840515  
1 1 1 -2  36  6  o 515.575 8.5635  144149.20  4782.06  143979.09  6762.76  144319.30  6762.96  514.920 12.126  515.529 12.112  -0.6094971     17.13875  
1 1 1 -2  36  7  o 459.282 7.7024  114373.70  3831.54  118196.30  5418.91  110551.80  5418.34  466.628 10.722  451.250 11.086  15.37875       15.42272  
1 1 1 -2  36  8  o 888.799 29.656  436656.81  28548.44 436656.81  28548.44 0.0000     0.0000   888.799 29.656  ?       ?       0.000000       29.65572  
1 1 1 -2  36  9  o 451.054 10.749  110525.10  5251.08  112135.20  7427.25  108915.90  7425.06  453.633 15.117  447.033 15.335  6.599365       21.53323  
1 1 1 -2  36  10 o 547.826 10.553  163098.59  6261.89  168900.41  10845.50 160197.50  7669.36  555.621 18.022  542.428 13.054  13.19318       22.25306  
1 1 1 -2  36  11 o 303.692 6.1731  50017.97   2030.50  50907.32   2487.53  48242.23   3514.98  306.276 7.4987  297.803 10.897  8.472931       13.22817  
1 1 1 -2  36  12 f 141.438 3.1514  10838.34   482.775  11436.80   688.269  10258.71   677.355  145.261 4.3746  137.571 4.5459  7.689484       6.308913  
1 1 1 -2  36  13 f 152.112 3.4497  12538.04   568.342  12807.60   778.081  12229.70   832.154  153.700 4.6739  150.176 5.1160  3.524109       6.929606  
1 1 1 -2  36  14 o 534.163 8.9359  155229.50  5169.89  150162.09  7311.17  160297.20  7311.48  524.086 12.880  541.646 12.463  -17.56036      17.92254  
1 1 1 -2  36  15 o 442.669 8.0328  106565.50  3851.35  108665.80  7132.83  105701.20  4575.69  444.787 14.806  440.478 9.5910  4.308380       17.64104  
1 1 1 -2  36  16 o 206.303 4.1960  23078.26   937.585  22621.80   1768.36  23256.75   1105.81  203.911 8.0068  207.049 4.9310  -3.138306      9.403411  
1 1 1 -2  36  17 o 175.345 3.7386  16669.04   710.027  19676.08   1355.00  15530.83   833.643  190.285 6.5746  169.208 4.5487  21.07683       7.994733  
1 1 1 -2  36  18 o 237.738 4.4004  30660.96   1133.09  30979.98   2266.20  30554.62   1308.38  238.361 8.7780  237.256 5.0915  1.104935       10.14770  
1 1 1 -2  36  19 o 120.854 3.0745  7917.61    402.452  7626.65    805.805  8014.31    464.538  118.259 6.3139  121.571 3.5279  -3.312286      7.232704  
1 1 1 -2  36  20 o 133.622 3.2819  9682.17    474.979  9290.02    927.461  9821.59    553.003  130.460 6.5849  134.550 3.7947  -4.089279      7.600057  
1 1 1 -2  36  21 o 272.356 5.2794  40347.20   1557.36  40530.87   4153.48  40317.15   1679.92  268.931 14.311  272.156 5.6990  -3.225647      15.40392  
1 1 1 -2  36  22 o 206.001 5.6767  23139.89   1266.59  23343.31   1790.43  22936.11   1792.02  206.204 8.0166  204.370 8.0957  1.833893       11.39327  
1 1 1 -2  36  23 o 50.870  2.3784  1403.71    131.045  1437.30    138.770  1126.97    398.315  51.471  2.4892  44.427  8.5884  7.043598       8.941876  
1 1 1 -2  36  24 o 81.604  3.1255  3620.36    276.247  3797.38    595.571  3571.83    311.819  82.745  6.7030  81.010  3.5538  1.735138       7.586825  
1 1 1 -2  36  25 o 88.332  3.2437  4247.58    310.329  3970.92    634.532  4334.56    355.782  84.337  7.0100  89.165  3.6840  -4.827911      7.919122  
1 1 1 -2  36  26 o 24.110  1.6765  316.865    43.506   575.540    436.533  314.270    43.724   32.039  10.708  24.009  1.6922  8.029789       10.84095  
1 1 1 -2  36  27 o 25.856  7.5321  385.778    223.802  853.051    441.931  224.607    259.545  37.564  10.470  22.052  8.1748  15.51237       13.28350  
1 1 1 -2  36  28 f 75.480  3.5293  3120.77    288.531  3786.85    588.816  2910.30    330.994  81.700  6.7135  72.594  4.2280  9.105484       7.933874  
1 1 1 -2  36  29 o 80.752  3.5792  3582.78    313.048  3595.37    622.666  3578.53    362.145  78.797  7.3819  80.396  4.1733  -1.598885      8.479885  
1 1 1 -2  36  30 o 38.633  5.7877  860.271    234.723  1260.25    488.001  739.884    267.726  44.449  10.333  35.192  7.2646  9.256512       12.63084  
1 1 1 -2  36  31 o 47.616  2.4355  1244.23    125.187  1211.44    139.214  1382.80    286.173  46.898  2.7528  48.953  5.4920  -2.055813      6.143285  
1 1 1 -2  36  32 o 19.359  7.9718  145.696    269.583  0.0000     0.0000   145.696    269.583  ?       ?       19.359  7.9718  0.000000       7.971798  
1 1 1 -2  36  33 o 26.949  1.5769  397.637    45.827   0.0000     0.0000   397.637    45.827   ?       ?       26.949  1.5769  0.000000       1.576891  
1 1 1 -2  36  34 o 25.242  9.8722  460.761    391.502  0.0000     0.0000   460.761    391.502  ?       ?       25.242  9.8722  0.000000       9.872219  
1 1 1 -2  36  35 f 22.459  10.676  49.150     707.241  0.0000     0.0000   49.150     707.241  ?       ?       22.459  10.676  0.000000       10.67611  
1 1 1 -2  37  1  o 220.343 4.3472  26300.81   1037.48  26136.34   1575.37  26426.77   1378.65  219.609 6.6231  220.844 5.7637  -1.235611      8.779841  
1 1 1 -2  37  2  o 409.489 8.0965  90904.66   3590.96  87518.14   4398.64  97671.91   6217.96  401.670 10.111  424.053 13.538  -22.38327      16.89689  
1 1 1 -2  37  3  o 587.814 9.7180  187413.80  6187.12  184533.30  8750.05  190294.00  8749.76  582.807 13.862  591.863 13.649  -9.055786      19.45364  
1 1 1 -2  37  4  o 405.157 6.7423  88966.54   2958.68  90214.73   4184.45  87718.62   4183.97  407.834 9.4729  402.143 9.6059  5.690399       13.49110  
1 1 1 -2  37  5  o 792.331 26.291  344250.31  22562.51 0.0000     0.0000   344250.31  22562.51 ?       ?       792.331 26.291  0.000000       26.29121  
1 1 1 -2  37  6  o 864.255 14.168  406104.41  13261.98 388334.31  18754.99 423875.50  18755.56 843.309 20.533  881.362 19.647  -38.05249      28.41901  
1 1 1 -2  37  7  o 477.508 7.9385  123653.40  4105.69  119989.20  5806.21  127317.80  5806.45  470.032 11.405  484.213 11.071  -14.18158      15.89499  
1 1 1 -2  37  8  o 292.609 5.9265  46409.18   1878.28  47823.93   3255.03  45702.95   2299.80  296.782 10.126  290.307 7.3141  6.475372       12.49145  
1 1 1 -2  37  9  o 174.545 5.0191  16511.02   948.864  17674.51   1339.52  15339.24   1344.29  180.533 6.8505  168.166 7.3804  12.36737       10.06977  
1 1 1 -2  37  10 o 526.482 12.450  150895.20  7099.45  157955.30  10040.30 143835.59  10039.97 537.371 17.251  512.538 18.086  24.83307       24.99349  
1 1 1 -2  37  11 o 59.216  3.5037  1906.55    223.718  2042.07    277.316  1653.98    378.588  61.241  4.2063  54.836  6.5009  6.405190       7.743077  
1 1 1 -2  37  12 o 101.743 2.8342  5608.09    312.327  6036.59    442.036  5180.90    441.358  105.542 3.8669  97.770  4.1679  7.771591       5.685425  
1 1 1 -2  37  13 o 142.419 3.3079  10990.74   510.257  10958.62   704.143  11026.26   740.450  142.174 4.5727  142.604 4.7939  -0.4303284     6.625058  
1 1 1 -2  37  14 f 218.633 4.1286  25912.86   977.658  25775.35   1382.60  26050.36   1382.63  217.940 5.8572  219.102 5.8262  -1.161911      8.261473  
1 1 1 -2  37  15 o 329.443 6.1342  58923.49   2188.79  64115.21   4071.07  56812.57   2595.91  342.708 10.968  323.301 7.4133  19.40717       13.23807  
1 1 1 -2  37  16 f 321.553 6.0746  56146.57   2115.64  59339.16   3935.44  54848.89   2509.03  329.547 11.026  317.626 7.2932  11.92139       13.21955  
1 1 1 -2  37  17 o 397.462 7.3548  85927.20   3166.18  88067.48   5870.34  85049.18   3759.95  400.301 13.540  395.058 8.7872  5.242828       16.14114  
1 1 1 -2  37  18 o 214.939 4.3390  25062.17   1010.14  24700.73   2575.24  25127.90   1098.14  212.053 11.253  215.187 4.7116  -3.134903      12.19939  
1 1 1 -2  37  19 o 43.297  2.0022  1015.63    93.894   1031.31    103.375  941.724    224.436  43.572  2.1975  41.329  5.1236  2.243122       5.575002  
1 1 1 -2  37  20 o 94.795  2.9386  4871.90    301.718  4996.27    505.253  4802.96    376.151  95.779  4.8867  94.092  3.6910  1.687523       6.123962  
1 1 1 -2  37  21 o 138.360 4.5977  10403.54   688.996  11045.19   973.296  9759.00    975.483  142.343 6.3131  133.566 6.7651  8.776398       9.253143  
1 1 1 -2  37  22 f 163.329 5.3135  14539.25   939.974  14989.79   1221.58  13885.29   1471.74  165.500 6.8148  158.576 8.6011  6.924698       10.97363  
1 1 1 -2  37  23 o 114.684 3.0692  7143.58    381.240  7267.50    759.031  7101.77    440.888  115.021 6.1147  114.290 3.5616  0.7304688      7.076358  
1 1 1 -2  37  24 o 26.333  1.9303  378.126    54.671   367.770    56.320   547.245    227.592  25.960  2.0189  30.888  6.9687  -4.928621      7.255232  
1 1 1 -2  37  25 o 54.047  4.2394  1605.85    246.176  1256.47    490.128  1723.73    284.691  46.180  10.082  55.904  4.7466  -9.724922      11.14342  
1 1 1 -2  37  26 o 47.105  4.5635  1228.50    229.907  1112.72    474.783  1263.96    262.770  43.093  10.310  47.640  5.1758  -4.546993      11.53666  
1 1 1 -2  37  27 o 70.296  2.8388  2692.53    216.139  2881.65    564.968  2660.10    233.936  71.120  7.4447  69.831  3.0930  1.288490       8.061646  
1 1 1 -2  37  28 o 70.441  3.7804  2731.21    287.371  2544.30    566.280  2796.04    333.505  66.124  8.0746  71.089  4.3524  -4.965492      9.172931  
1 1 1 -2  37  29 o 20.267  7.4863  197.636    217.284  -160.9707  452.804  304.915    247.662  20.658  9.3659  23.509  8.0643  -2.851664      12.35932  
1 1 1 -2  37  30 o 31.396  1.9895  538.851    67.302   491.277    472.299  539.837    67.996   29.450  11.006  31.422  2.0084  -1.972486      11.18740  
1 1 1 -2  37  31 o 10.928  2.5559  68.073     29.713   69.947     29.926   -62.0178   249.346  11.079  2.5471  15.779  7.0691  -4.700060      7.514031  
1 1 1 -2  37  32 o 41.252  1.6982  928.702    75.876   0.0000     0.0000   928.702    75.876   ?       ?       41.252  1.6982  0.000000       1.698200  
1 1 1 -2  37  33 o 35.547  9.4274  905.640    368.899  0.0000     0.0000   905.640    368.899  ?       ?       35.547  9.4274  0.000000       9.427425  
1 1 1 -2  37  34 o 49.707  7.7311  1647.56    402.696  0.0000     0.0000   1647.56    402.696  ?       ?       49.707  7.7311  0.000000       7.731064  
1 1 1 -2  37  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  38  1  o 516.927 8.5710  144887.30  4798.78  147354.70  6786.99  142420.59  6786.00  521.002 12.027  512.183 12.233  8.818115       17.15494  
1 1 1 -2  38  2  o 346.139 5.8890  64922.62   2207.80  63883.23   3122.67  65961.51   3121.92  343.253 8.3993  348.798 8.2638  -5.545380      11.78294  
1 1 1 -2  38  3  o 538.196 8.9345  157080.41  5208.09  154890.80  7365.53  159269.80  7365.18  534.051 12.734  541.568 12.556  -7.517578      17.88307  
1 1 1 -2  38  4  o 457.708 7.6945  113574.80  3814.49  111727.00  5394.66  115422.30  5394.33  453.718 10.978  461.176 10.799  -7.458282      15.39923  
1 1 1 -2  38  5  o 251.129 4.5471  34167.16   1236.80  34809.94   1749.56  33525.06   1748.64  253.432 6.3738  248.707 6.4915  4.724838       9.097501  
1 1 1 -2  38  6  o 594.661 9.8739  191901.50  6359.56  190568.50  8993.76  193234.59  8993.79  591.969 14.027  596.113 13.930  -4.143738      19.76872  
1 1 1 -2  38  7  o 339.812 6.7861  62603.23   2497.64  61579.60   3059.26  64649.36   4325.25  336.924 8.3833  344.957 11.576  -8.032532      14.29315  
1 1 1 -2  38  8  o 474.509 9.1529  122212.80  4704.04  131174.59  8149.03  117734.30  5760.76  490.593 15.336  465.438 11.427  25.15457       19.12541  
1 1 1 -2  38  9  o 196.096 5.3968  20843.55   1146.24  21065.32   1617.28  20619.71   1624.80  197.050 7.5777  194.950 7.6950  2.100739       10.79972  
1 1 1 -2  38  10 o 106.712 3.3020  6169.33    381.642  6095.79    466.443  6318.25    663.798  106.063 4.0603  107.799 5.7056  -1.736122      7.002834  
1 1 1 -2  38  11 o 252.996 4.5848  34693.89   1256.34  35195.17   1777.34  34193.30   1776.11  254.706 6.4426  251.049 6.5319  3.657562       9.174619  
1 1 1 -2  38  12 o 230.907 4.2987  28900.41   1075.10  28972.88   1520.55  28827.96   1520.28  231.093 6.0750  230.513 6.0892  0.5796661      8.601366  
1 1 1 -2  38  13 o 211.824 4.2575  24323.00   976.789  24778.02   1302.59  23738.41   1476.46  213.718 5.6273  209.125 6.5185  4.592758       8.611432  
1 1 1 -2  38  14 o 346.707 5.9633  65240.54   2239.32  67911.27   3167.88  62573.18   3165.87  353.374 8.2768  339.141 8.6187  14.23270       11.94940  
1 1 1 -2  38  15 o 278.570 5.2798  42105.25   1593.03  45136.55   2974.42  40886.02   1886.39  287.802 9.5420  274.390 6.3473  13.41168       11.46029  
1 1 1 -2  38  16 o 70.910  3.0004  2724.86    230.442  2779.47    458.539  2706.40    266.547  71.295  5.9937  70.661  3.4828  0.6338425      6.932135  
1 1 1 -2  38  17 o 187.555 3.7467  19072.21   761.107  19585.27   1520.93  18900.80   879.099  189.744 7.4006  186.673 4.3480  3.070740       8.583364  
1 1 1 -2  38  18 o 288.862 5.5330  45318.85   1731.11  50623.84   3230.61  43182.09   2050.31  304.363 9.7999  281.777 6.7181  22.58597       11.88152  
1 1 1 -2  38  19 o 129.146 3.2123  9042.58    449.335  9803.13    884.054  8777.67    521.755  134.273 6.0788  127.213 3.7867  7.060493       7.161808  
1 1 1 -2  38  20 o 82.222  4.3801  3680.93    388.664  4272.72    547.784  3080.99    551.541  88.443  5.7496  74.879  6.8775  13.56414       8.964249  
1 1 1 -2  38  21 o 55.037  5.1049  1661.85    300.845  1828.49    422.915  1491.14    428.049  57.459  6.9359  51.616  7.9088  5.843048       10.51928  
1 1 1 -2  38  22 f 49.364  2.5131  1325.08    133.921  1304.68    141.998  1489.22    402.812  48.967  2.6876  51.593  7.4222  -2.625462      7.893782  
1 1 1 -2  38  23 o 28.864  5.8847  472.518    177.733  834.986    342.355  338.784    207.952  38.096  8.5117  24.610  7.2865  13.48615       11.20454  
1 1 1 -2  38  24 o 75.371  3.3137  3090.87    270.509  2992.61    564.423  3120.18    308.213  73.196  7.2132  75.676  3.7603  -2.480164      8.134519  
1 1 1 -2  38  25 o 79.089  2.7440  3400.73    235.055  3602.01    579.189  3361.04    257.187  80.353  6.7165  78.593  3.0213  1.760452       7.364800  
1 1 1 -2  38  26 o 44.383  4.6008  1092.65    217.953  1098.14    466.972  1091.12    246.443  42.800  10.215  44.195  5.2511  -1.395153      11.48585  
1 1 1 -2  38  27 o 70.399  3.7365  2720.74    283.882  2333.70    556.551  2856.85    330.046  63.506  8.2890  72.001  4.2510  -8.494701      9.315484  
1 1 1 -2  38  28 o 20.731  7.5997  206.978    223.258  93.375     443.753  245.479    258.335  23.592  10.005  22.345  8.1774  1.246782       12.92180  
1 1 1 -2  38  29 o 79.823  3.4896  3500.77    301.698  3139.77    612.360  3616.48    346.695  73.176  7.8488  80.968  3.9534  -7.791557      8.788186  
1 1 1 -2  38  30 o 28.061  7.3356  475.701    225.452  212.458    469.355  554.657    257.048  25.088  10.441  30.156  7.8083  -5.068745      13.03775  
1 1 1 -2  38  31 o 57.463  2.0973  1804.12    130.533  2073.98    194.816  1584.26    175.842  61.354  2.9316  53.506  3.0469  7.848499       4.228237  
1 1 1 -2  38  32 o 47.667  7.5550  1438.84    377.043  0.0000     0.0000   1438.84    377.043  ?       ?       47.667  7.5550  0.000000       7.554951  
1 1 1 -2  38  33 o 20.898  8.8491  181.923    346.275  0.0000     0.0000   181.923    346.275  ?       ?       20.898  8.8491  0.000000       8.849122  
1 1 1 -2  38  34 o 3.9535  1.9527  -67.0529   30.442   0.0000     0.0000   -67.0529   30.442   ?       ?       3.9535  1.9527  0.000000       1.952700  
1 1 1 -2  38  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  39  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  39  2  o 48.148  2.6767  1259.49    139.036  1370.98    196.260  1147.17    196.996  50.177  3.6359  45.844  4.0077  4.333660       5.411229  
1 1 1 -2  39  3  o 140.742 3.1082  10729.08   473.801  10585.06   670.695  10872.56   669.419  139.781 4.4300  141.667 4.3627  -1.886383      6.217594  
1 1 1 -2  39  4  o 127.363 2.9700  8786.17    409.708  8350.29    579.830  9220.80    579.000  124.152 4.3120  130.465 4.0975  -6.313240      5.948313  
1 1 1 -2  39  5  o 359.410 6.2006  70011.62   2413.76  70679.73   3413.97  69343.82   3413.18  360.979 8.7319  357.546 8.8137  3.433075       12.40672  
1 1 1 -2  39  6  o 583.316 9.7013  184668.09  6129.22  182582.41  8668.13  186753.80  8667.92  579.366 13.813  585.976 13.657  -6.609863      19.42507  
1 1 1 -2  39  7  o 769.680 12.634  322143.81  10532.23 338178.00  14895.54 306112.59  14894.11 787.128 17.472  748.573 18.370  38.55530       25.35206  
1 1 1 -2  39  8  o 496.336 11.707  133943.41  6293.47  0.0000     0.0000   133943.41  6293.47  ?       ?       496.336 11.707  0.000000       11.70697  
1 1 1 -2  39  9  o 247.651 6.3089  33257.97   1692.24  30573.55   2389.41  35959.45   2396.99  237.262 9.2980  257.366 8.5989  -20.10449      12.66470  
1 1 1 -2  39  10 o 175.391 4.1092  16670.05   780.603  16641.43   955.296  16727.55   1354.16  175.211 5.0339  175.578 7.1208  -0.3666534     8.720434  
1 1 1 -2  39  11 o 145.351 3.1882  11446.53   501.923  11786.92   711.061  11108.50   708.597  147.464 4.4519  143.154 4.5701  4.310059       6.380091  
1 1 1 -2  39  12 o 356.504 6.1342  68959.05   2368.60  70799.00   3351.04  67122.03   3348.39  360.905 8.5727  351.373 8.7983  9.531250       12.28415  
1 1 1 -2  39  13 o 260.171 4.6985  36702.67   1323.99  37192.73   1873.42  36213.67   1871.39  261.743 6.6083  258.267 6.6900  3.475952       9.403482  
1 1 1 -2  39  14 o 137.050 3.1179  10178.08   462.823  10951.26   657.800  9420.07    651.310  142.122 4.2733  131.802 4.5624  10.32022       6.251150  
1 1 1 -2  39  15 o 188.035 4.2800  19172.23   871.676  21747.01   1511.76  17889.86   1066.89  200.052 6.9770  181.568 5.4251  18.48483       8.838017  
1 1 1 -2  39  16 o 353.138 6.0870  67726.52   2328.18  68866.73   4655.46  67346.26   2688.53  354.614 12.121  351.975 7.0523  2.639343       14.02330  
1 1 1 -2  39  17 o 300.688 5.3125  49080.41   1730.16  52629.50   3459.85  47896.95   1997.91  310.352 10.293  296.910 6.2127  13.44202       12.02242  
1 1 1 -2  39  18 o 313.633 5.8372  53447.89   1982.88  50023.50   5399.75  53981.64   2131.81  299.426 16.717  315.119 6.2460  -15.69284      17.84548  
1 1 1 -2  39  19 o 217.495 4.3764  25673.16   1030.95  25313.32   1937.99  25815.19   1217.51  215.360 8.3084  218.004 5.1563  -2.644577      9.778389  
1 1 1 -2  39  20 o 161.624 4.8975  14194.53   857.328  13492.70   1209.76  14902.63   1215.15  157.285 7.1014  165.349 6.7851  -8.064575      9.821775  
1 1 1 -2  39  21 o 137.103 4.9974  10226.96   742.090  9863.19    1049.46  10590.75   1049.49  134.109 7.2519  139.217 6.9601  -5.107880      10.05152  
1 1 1 -2  39  22 f 57.041  3.5602  1774.55    218.854  1417.15    418.942  1908.69    256.659  50.162  7.9781  59.110  4.0330  -8.947193      8.939528  
1 1 1 -2  39  23 o 137.732 3.2323  10310.37   482.184  9421.61    959.859  10610.36   557.654  130.692 6.8045  139.646 3.6869  -8.954849      7.739124  
1 1 1 -2  39  24 o 53.223  4.0191  1553.69    229.977  1761.66    483.413  1492.85    261.459  55.645  8.2725  52.045  4.6886  3.600636       9.508837  
1 1 1 -2  39  25 o 48.218  2.1778  1262.35    113.737  1290.84    126.228  1139.41    262.221  48.747  2.3908  45.191  5.4685  3.555229       5.968298  
1 1 1 -2  39  26 o 39.194  5.4013  863.002    223.200  1422.93    452.568  683.037    256.574  49.370  8.7856  34.346  7.1304  15.02354       11.31498  
1 1 1 -2  39  27 o 51.315  4.4726  1459.62    246.100  1436.81    496.645  1467.05    283.332  48.963  9.7081  51.249  5.1752  -2.286839      11.00131  
1 1 1 -2  39  28 o 77.051  3.5302  3255.20    294.607  3126.84    593.004  3297.26    339.463  73.599  7.5457  77.289  4.0695  -3.690048      8.573096  
1 1 1 -2  39  29 o 33.875  6.0494  665.835    213.810  312.361    468.293  758.926    240.321  26.823  10.701  36.096  6.3804  -9.272665      12.45839  
1 1 1 -2  39  30 o 24.039  7.6042  341.136    221.782  443.685    460.849  310.227    253.007  28.371  10.811  23.470  8.1451  4.901005       13.53614  
1 1 1 -2  39  31 o ?       ?       -221.8094  34.702   -223.2856  35.054   -149.5439  245.261  ?       ?       14.409  6.6648  0.000000       6.664813  
1 1 1 -2  39  32 o 67.083  6.2121  2708.95    446.237  0.0000     0.0000   2708.95    446.237  ?       ?       67.083  6.2121  0.000000       6.212121  
1 1 1 -2  39  33 o 18.736  8.3387  35.320     340.865  0.0000     0.0000   35.320     340.865  ?       ?       18.736  8.3387  0.000000       8.338721  
1 1 1 -2  39  34 o 22.978  9.2529  343.294    353.691  0.0000     0.0000   343.294    353.691  ?       ?       22.978  9.2529  0.000000       9.252906  
1 1 1 -2  39  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  40  1  o 609.768 10.078  201737.30  6655.96  209774.50  9413.76  193703.00  9412.12  621.256 13.990  596.894 14.559  24.36169       20.19104  
1 1 1 -2  40  2  o 148.568 3.1597  11955.61   508.445  12800.76   720.405  11116.79   717.702  153.717 4.3270  143.246 4.6259  10.47093       6.334146  
1 1 1 -2  40  3  o 139.326 3.0733  10514.34   463.775  10423.35   656.463  10605.01   655.292  138.708 4.3696  139.912 4.3242  -1.204071      6.147530  
1 1 1 -2  40  4  o 584.547 9.7302  185413.00  6160.42  185212.50  8712.35  185613.41  8711.93  583.651 13.782  584.285 13.766  -0.6339722     19.47965  
1 1 1 -2  40  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  40  6  o 217.590 4.0781  25650.80   961.109  25155.01   1360.35  26144.95   1358.08  215.430 5.8300  219.633 5.7090  -4.201950      8.159787  
1 1 1 -2  40  7  o 146.300 3.1469  11594.46   498.646  12794.44   710.171  10427.55   700.315  153.667 4.2669  138.720 4.6610  14.94675       6.319158  
1 1 1 -2  40  8  o 245.031 8.9974  32596.90   2387.84  0.0000     0.0000   32596.90   2387.84  ?       ?       245.031 8.9974  0.000000       8.997370  
1 1 1 -2  40  9  o 552.827 13.060  166520.00  7820.05  168491.00  11059.09 164548.80  11059.34 554.427 18.416  547.822 18.639  6.604370       26.20251  
1 1 1 -2  40  10 o 461.919 8.9539  115933.40  4479.72  109873.40  5486.19  128057.50  7760.01  449.251 11.275  484.091 14.800  -34.83957      18.60555  
1 1 1 -2  40  11 o 337.934 5.8541  61944.57   2142.70  61470.99   3030.30  62418.13   3030.19  336.364 8.3177  338.954 8.2539  -2.589874      11.71800  
1 1 1 -2  40  12 f 275.256 4.8854  41082.21   1456.49  43533.62   2062.01  38641.34   2057.58  283.192 6.7227  266.767 7.1212  16.42487       9.793151  
1 1 1 -2  40  13 o 204.131 4.1896  22589.45   926.305  22529.84   1402.16  22635.61   1233.90  203.725 6.3545  204.258 5.5774  -0.5332794     8.455024  
1 1 1 -2  40  14 o 105.576 2.9167  6039.70    333.527  6258.28    479.576  5834.94    464.159  107.440 4.1212  103.743 4.1308  3.697739       5.835053  
1 1 1 -2  40  15 o 75.350  3.3055  3077.14    269.767  3524.15    473.483  2862.28    328.256  80.398  5.4699  72.534  4.1962  7.864487       6.894055  
1 1 1 -2  40  16 o 146.736 3.2775  11670.24   520.900  11850.62   1040.46  11609.91   601.741  147.684 6.5046  146.336 3.7966  1.348694       7.531523  
1 1 1 -2  40  17 o 63.098  3.2773  2163.95    223.204  2165.48    435.169  2163.40    260.012  62.788  6.4928  63.049  3.8256  -0.2607422     7.536022  
1 1 1 -2  40  18 o 103.938 3.0959  5856.16    348.526  6802.83    678.804  5517.25    406.148  111.760 5.6258  100.864 3.7177  10.89558       6.743183  
1 1 1 -2  40  19 o 255.232 6.6221  35463.47   1830.64  37457.53   2587.67  33465.59   2590.15  261.697 9.1294  247.209 9.6736  14.48715       13.30130  
1 1 1 -2  40  20 o 192.394 5.4191  20133.74   1129.24  20884.62   1595.44  19379.93   1598.54  195.551 7.5327  188.310 7.8375  7.241455       10.87051  
1 1 1 -2  40  21 o 153.270 3.3842  12751.07   561.795  12795.09   1112.55  12736.00   650.872  153.024 6.7126  153.120 3.9246  -0.9530640E-01 7.775690  
1 1 1 -2  40  22 o 69.044  3.2017  2588.73    239.428  3151.45    471.231  2392.91    277.983  75.727  5.7891  66.224  3.8927  9.503128       6.976153  
1 1 1 -2  40  23 o 182.143 3.9921  18071.39   787.566  21806.12   1904.09  17300.58   865.029  197.827 8.8865  178.081 4.4848  19.74593       9.954049  
1 1 1 -2  40  24 o 31.024  5.9353  546.659    192.169  915.885    432.109  455.630    214.554  39.471  10.074  28.144  7.0527  11.32687       12.29720  
1 1 1 -2  40  25 o 149.374 3.3410  12159.02   540.536  12693.70   1091.87  11985.43   622.120  151.230 6.6660  148.145 3.8772  3.084854       7.711525  
1 1 1 -2  40  26 o 64.109  2.5229  2235.41    175.184  2397.85    220.200  1955.32    289.147  66.329  3.0651  59.511  4.5197  6.818283       5.460988  
1 1 1 -2  40  27 o 128.706 3.3343  9054.39    464.809  9623.61    929.055  8864.35    536.823  130.810 6.5784  127.133 3.8985  3.677155       7.646793  
1 1 1 -2  40  28 o 38.310  2.0014  800.218    82.757   385.286    465.103  813.784    84.099   28.215  10.835  38.632  2.0169  -10.41719      11.02122  
1 1 1 -2  40  29 o 12.344  5.7203  -140.3220  181.885  -605.4698  436.109  -42.3764   200.121  16.542  7.9973  14.615  6.4523  1.926571       10.27569  
1 1 1 -2  40  30 o 49.136  4.8775  1367.11    256.150  684.691    508.814  1598.77    296.457  32.667  11.536  53.003  5.2323  -20.33609      12.66711  
1 1 1 -2  40  31 o 3.4371  1.7331  -97.0204   30.129   -98.3102   30.353   -10.8582   248.094  3.4419  1.7361  16.366  7.2068  -12.92390      7.412985  
1 1 1 -2  40  32 f 10.993  2.6279  69.310     30.866   0.0000     0.0000   69.310     30.866   ?       ?       10.993  2.6279  0.000000       2.627936  
1 1 1 -2  40  33 o 29.521  10.030  656.038    383.086  0.0000     0.0000   656.038    383.086  ?       ?       29.521  10.030  0.000000       10.03033  
1 1 1 -2  40  34 o 18.230  8.3583  -25.7994   373.860  0.0000     0.0000   -25.7994   373.860  ?       ?       18.230  8.3583  0.000000       8.358274  
1 1 1 -2  41  1  o 242.698 4.4447  31911.32   1168.37  33077.95   1652.92  30746.36   1651.73  247.049 6.1773  238.176 6.4028  8.872818       8.896885  
1 1 1 -2  41  2  o 385.917 6.5350  80725.08   2731.53  84141.55   3864.03  77312.34   3861.92  393.840 9.0584  377.491 9.4455  16.34857       13.08710  
1 1 1 -2  41  3  o 209.235 3.9770  23716.74   901.286  23523.65   1275.69  23909.16   1273.53  208.345 5.6532  210.047 5.5979  -1.701660      7.955793  
1 1 1 -2  41  4  o 866.994 20.263  410896.00  19027.48 410896.00  19027.48 0.0000     0.0000   866.994 20.263  ?       ?       0.000000       20.26261  
1 1 1 -2  41  5  o 662.058 10.921  238073.80  7830.97  236783.41  11075.00 239364.09  11074.34 659.276 15.510  662.880 15.425  -3.604492      21.87397  
1 1 1 -2  41  6  o 120.418 2.9306  7854.59    382.226  7671.52    546.714  8029.63    534.587  118.991 4.2420  121.739 4.0543  -2.748100      5.867910  
1 1 1 -2  41  7  o 78.368  3.8524  3327.45    326.992  0.0000     0.0000   3327.45    326.992  ?       ?       78.368  3.8524  0.000000       3.852367  
1 1 1 -2  41  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  41  9  o 668.788 12.812  243752.00  9280.48  243666.50  11366.58 243923.00  16073.25 667.614 15.719  664.795 22.323  2.819519       27.30198  
1 1 1 -2  41  10 o 119.816 3.0102  7777.50    390.638  7804.95    544.188  7748.31    561.091  120.005 4.1868  119.565 4.3327  0.4395294      6.025071  
1 1 1 -2  41  11 f 260.342 4.6913  36744.73   1322.84  36153.30   1870.68  37336.27   1870.87  258.095 6.6919  262.293 6.5855  -4.197601      9.388835  
1 1 1 -2  41  12 o 372.156 6.3401  75167.87   2555.60  80351.90   3615.71  69992.71   3612.61  384.410 8.6842  358.669 9.2994  25.74106       12.72377  
1 1 1 -2  41  13 f 187.388 3.7001  19032.04   750.983  19281.61   1063.73  18784.05   1060.38  188.536 5.2092  186.084 5.2612  2.451538       7.403723  
1 1 1 -2  41  14 o 272.335 5.2177  40237.91   1539.06  42592.44   2034.95  37091.12   2352.54  280.023 6.7095  261.104 8.3187  18.91940       10.68726  
1 1 1 -2  41  15 o 185.477 3.6925  18648.80   741.797  18849.96   1051.02  18449.14   1047.10  186.383 5.2064  184.389 5.2431  1.994843       7.388916  
1 1 1 -2  41  16 o 342.364 6.4422  63686.20   2388.87  67734.16   6599.76  63075.88   2562.64  349.463 17.436  340.628 6.9460  8.834747       18.76899  
1 1 1 -2  41  17 o 211.520 4.0497  24265.26   927.768  24550.15   1852.44  24169.87   1071.89  212.295 8.0562  211.051 4.6891  1.244507       9.321547  
1 1 1 -2  41  18 o 107.719 4.2862  6295.83    500.073  6684.64    703.591  5898.92    710.885  110.748 5.8868  103.960 6.3438  6.787788       8.654327  
1 1 1 -2  41  19 f 99.529  4.2646  5376.81    459.718  5250.22    644.721  5507.75    655.697  98.047  6.1014  100.437 6.0558  -2.390572      8.596518  
1 1 1 -2  41  20 o 117.516 3.1361  7490.48    399.175  7443.99    787.334  7506.56    463.108  116.717 6.2508  117.611 3.6355  -0.8933029     7.231113  
1 1 1 -2  41  21 o 35.063  5.1202  683.403    188.717  606.722    351.634  714.425    223.656  32.776  9.4106  35.710  5.9951  -2.933693      11.15799  
1 1 1 -2  41  22 o 226.402 4.5376  27923.34   1112.70  26502.46   2087.85  28487.00   1315.02  218.788 8.8106  228.426 5.3152  -9.637039      10.28967  
1 1 1 -2  41  23 o 140.457 3.2513  10727.15   494.622  11341.53   1010.18  10533.40   567.275  143.558 6.4968  139.087 3.7656  4.471222       7.509253  
1 1 1 -2  41  24 o 134.386 3.2188  9828.37    468.508  9641.21    946.939  9889.03    539.116  131.893 6.6501  134.696 3.6954  -2.802490      7.607883  
1 1 1 -2  41  25 o 109.828 3.0180  6566.84    359.003  7269.77    758.994  6364.26    407.466  114.458 6.1449  108.026 3.4825  6.432281       7.063087  
1 1 1 -2  41  26 o 136.694 3.4085  10201.46   504.645  10288.44   1046.28  10175.09   576.083  135.248 7.1680  136.346 3.9010  -1.098053      8.160772  
1 1 1 -2  41  27 o 88.673  2.9727  4290.62    285.508  4102.98    442.821  4424.12    373.508  86.079  4.7683  89.816  3.8395  -3.736946      6.121944  
1 1 1 -2  41  28 o 23.698  7.5758  319.897    219.680  -69.3204   444.316  445.826    252.731  21.547  9.5582  27.441  8.0071  -5.894341      12.46889  
1 1 1 -2  41  29 o 26.924  7.4035  432.977    222.619  282.744    454.289  480.455    255.385  26.124  10.498  28.249  7.9897  -2.124491      13.19269  
1 1 1 -2  41  30 o 21.890  7.6247  266.835    221.810  180.347    457.150  293.465    253.670  24.216  10.206  22.969  8.1416  1.247320       13.05562  
1 1 1 -2  41  31 o 16.831  2.0408  157.107    36.442   155.537    36.784   240.537    268.194  16.739  2.0732  21.409  8.2262  -4.669436      8.483475  
1 1 1 -2  41  32 o 60.930  6.2811  2248.21    408.568  0.0000     0.0000   2248.21    408.568  ?       ?       60.930  6.2811  0.000000       6.281105  
1 1 1 -2  41  33 o 28.107  9.7385  585.802    361.609  0.0000     0.0000   585.802    361.609  ?       ?       28.107  9.7385  0.000000       9.738482  
1 1 1 -2  41  34 o 24.827  9.7874  453.975    387.505  0.0000     0.0000   453.975    387.505  ?       ?       24.827  9.7874  0.000000       9.787398  
1 1 1 -2  42  1  o 208.674 3.9772  23590.08   898.922  23794.61   1272.92  23386.62   1269.62  209.541 5.6087  207.736 5.6428  1.805069       7.956016  
1 1 1 -2  42  2  o 648.545 10.594  228357.41  7441.57  238591.00  10524.94 218127.59  10523.00 662.153 14.675  632.977 15.349  29.17542       21.23585  
1 1 1 -2  42  3  f 235.487 4.2898  30044.34   1094.15  29673.48   1548.16  30414.43   1546.56  233.977 6.1090  236.883 6.0278  -2.905960      8.582253  
1 1 1 -2  42  4  o 135.385 3.0851  9928.51    452.394  10167.81   640.815  9690.75    638.752  136.991 4.3189  133.738 4.4097  3.253662       6.172358  
1 1 1 -2  42  5  o 181.370 3.5934  17820.45   705.893  17643.58   999.245  17996.63   997.326  180.436 5.1130  182.233 5.0529  -1.797806      7.188522  
1 1 1 -2  42  6  o 229.635 4.8334  28576.49   1202.15  30574.87   2085.09  27581.46   1471.30  237.382 8.1097  225.559 6.0224  11.82317       10.10135  
1 1 1 -2  42  7  o 200.169 5.4679  21719.53   1185.46  0.0000     0.0000   21719.53   1185.46  ?       ?       200.169 5.4679  0.000000       5.467886  
1 1 1 -2  42  8  o 318.742 11.164  55268.46   3854.01  55268.46   3854.01  0.0000     0.0000   318.742 11.164  ?       ?       0.000000       11.16357  
1 1 1 -2  42  9  o 545.078 10.482  161627.70  6188.12  162582.30  7579.29  159719.20  10716.95 546.078 12.815  539.354 18.345  6.724731       22.37781  
1 1 1 -2  42  10 o 162.794 3.3866  14359.78   597.137  14758.02   843.251  13959.21   845.712  164.995 4.7186  160.462 4.8661  4.532654       6.778212  
1 1 1 -2  42  11 o 258.168 4.6702  36134.69   1305.91  36871.83   1846.99  35397.81   1846.67  260.649 6.5424  255.375 6.6764  5.274567       9.347578  
1 1 1 -2  42  12 o 202.994 3.9013  22334.80   857.766  22867.84   1215.58  21806.14   1210.56  205.317 5.4662  200.488 5.5748  4.829636       7.807568  
1 1 1 -2  42  13 o 135.695 3.0908  9977.60    454.257  10274.83   645.192  9685.43    639.677  137.662 4.3272  133.652 4.4189  4.009979       6.184754  
1 1 1 -2  42  14 o 192.532 3.7471  20093.82   781.399  21622.51   1110.00  18592.03   1100.19  199.638 5.1335  185.096 5.4878  14.54164       7.514576  
1 1 1 -2  42  15 o 235.592 4.3684  30100.74   1114.69  31390.78   1578.11  28816.26   1574.70  240.430 6.0601  230.333 6.3121  10.09700       8.750257  
1 1 1 -2  42  16 o 132.569 3.1560  9525.21    453.157  10514.09   899.843  9189.21    524.523  139.135 5.9712  130.189 3.7198  8.945557       7.035070  
1 1 1 -2  42  17 f 187.388 5.9305  19078.53   1203.66  19030.46   1523.31  19158.43   1963.85  186.966 7.5224  187.017 9.7288  -0.5158997E-01 12.29781  
1 1 1 -2  42  18 f 161.409 4.8937  14145.02   855.537  14439.37   1207.45  13848.27   1212.38  162.881 6.8443  159.492 7.0183  3.389160       9.803111  
1 1 1 -2  42  19 o 56.570  2.9341  1739.67    179.157  1569.09    196.073  2602.26    440.907  53.681  3.3897  68.904  5.9667  -15.22385      6.862395  
1 1 1 -2  42  20 o 223.867 4.2332  27222.64   1026.43  27516.22   2049.73  27124.39   1185.82  224.067 8.4460  223.348 4.9019  0.7192688      9.765396  
1 1 1 -2  42  21 o 210.221 4.2450  24030.92   966.547  22541.39   2431.16  24310.55   1053.37  200.873 11.219  211.365 4.6013  -10.49188      12.12609  
1 1 1 -2  42  22 o 90.912  3.0464  4488.64    299.966  4555.09    581.390  4464.53    350.174  91.036  5.9287  90.619  3.5677  0.4161911      6.919441  
1 1 1 -2  42  23 o 104.422 3.0324  5926.72    342.964  6377.54    716.558  5792.76    390.611  107.532 6.1783  103.173 3.4955  4.359291       7.098633  
1 1 1 -2  42  24 o 26.885  1.3259  391.768    38.609   435.816    53.950   345.530    55.275   28.292  1.7695  25.151  2.0469  3.140593       2.705710  
1 1 1 -2  42  25 o 22.490  6.8929  283.132    183.796  675.352    408.909  183.830    205.751  33.971  10.254  19.955  7.2986  14.01539       12.58639  
1 1 1 -2  42  26 o 48.742  4.5318  1316.40    236.508  1267.22    463.990  1333.66    274.901  46.127  9.5996  48.870  5.2774  -2.742813      10.95456  
1 1 1 -2  42  27 o 93.635  3.0275  4786.81    307.035  4083.85    490.110  5240.89    393.912  85.619  5.3113  97.775  3.7197  -12.15578      6.484289  
1 1 1 -2  42  28 o 48.833  4.7996  1335.31    250.579  1261.19    485.524  1362.22    292.552  45.052  10.189  49.039  5.6088  -3.986916      11.63050  
1 1 1 -2  42  29 o 27.383  7.5634  449.647    231.736  65.320     444.875  592.763    271.475  22.919  9.8752  31.264  7.9877  -8.345453      12.70128  
1 1 1 -2  42  30 o 56.473  4.2564  1789.29    258.432  1943.33    526.315  1740.35    296.656  55.746  9.0254  55.327  5.0046  0.4187241      10.32005  
1 1 1 -2  42  31 o 60.225  2.6540  1998.26    173.119  2017.20    206.018  1952.74    319.345  60.215  3.1700  58.014  5.1354  2.200993       6.034995  
1 1 1 -2  42  32 o 41.024  9.1379  1154.05    395.617  0.0000     0.0000   1154.05    395.617  ?       ?       41.024  9.1379  0.000000       9.137940  
1 1 1 -2  42  33 o 27.127  9.6671  539.891    358.087  0.0000     0.0000   539.891    358.087  ?       ?       27.127  9.6671  0.000000       9.667092  
1 1 1 -2  42  34 o 19.830  8.6397  147.636    348.236  0.0000     0.0000   147.636    348.236  ?       ?       19.830  8.6397  0.000000       8.639740  
1 1 1 -2  43  1  o 65.016  2.6164  2289.57    184.244  2412.87    263.232  2171.15    257.969  66.638  3.6611  63.193  3.7864  3.444454       5.266973  
1 1 1 -2  43  2  o 266.405 4.7552  38456.08   1372.07  37442.75   1941.26  39467.63   1939.55  262.795 6.8202  269.815 6.6369  -7.020477      9.516473  
1 1 1 -2  43  3  o 87.841  2.6735  4179.42    254.359  3747.96    364.340  4589.65    355.268  83.174  4.0444  92.045  3.5636  -8.870979      5.390353  
1 1 1 -2  43  4  o 696.251 11.540  263464.19  8702.59  256012.91  12307.46 270915.19  12307.20 685.035 16.588  704.834 16.121  -19.79889      23.13114  
1 1 1 -2  43  5  o 478.092 9.2179  124086.40  4773.27  122031.60  8267.33  125113.90  5846.11  472.928 16.140  479.782 11.250  -6.853607      19.67379  
1 1 1 -2  43  6  f 230.284 4.8853  28740.35   1218.50  30030.46   2113.36  28097.90   1491.35  235.230 8.2949  227.650 6.0484  7.580078       10.26586  
1 1 1 -2  43  7  o 320.914 11.230  56016.96   3903.46  0.0000     0.0000   56016.96   3903.46  ?       ?       320.914 11.230  0.000000       11.23030  
1 1 1 -2  43  8  o 175.742 5.0318  16742.36   957.780  16742.36   957.780  0.0000     0.0000   175.742 5.0318  ?       ?       0.000000       5.031775  
1 1 1 -2  43  9  o 196.298 4.4187  20885.31   939.460  20983.22   1151.83  20690.75   1623.74  196.716 5.4060  195.213 7.6796  1.502441       9.391527  
1 1 1 -2  43  10 o 197.525 3.8321  21144.24   819.834  21102.42   1158.48  21186.21   1160.36  197.260 5.4222  197.652 5.4203  -0.3913269     7.666824  
1 1 1 -2  43  11 o 422.735 7.1747  97039.58   3285.06  99648.74   4645.88  94430.61   4645.69  427.831 10.026  416.418 10.300  11.41296       14.37416  
1 1 1 -2  43  12 o 17.567  2.3876  170.268    44.253   712.226    197.916  141.747    45.402   35.858  5.2515  15.952  2.7257  19.90670       5.916762  
1 1 1 -2  43  13 o 259.123 4.6795  36413.77   1313.33  37051.98   1858.34  35776.96   1856.31  261.206 6.5686  256.660 6.6776  4.545532       9.366811  
1 1 1 -2  43  14 o 399.451 6.8215  86690.98   2951.32  91201.62   4175.27  82186.73   4172.32  409.111 9.4227  388.235 9.9223  20.87543       13.68352  
1 1 1 -2  43  15 o 87.863  2.7495  4183.18    261.661  4041.97    351.708  4358.22    391.585  86.346  3.7607  89.653  4.0326  -3.307129      5.514080  
1 1 1 -2  43  16 o 232.369 4.5711  29292.77   1150.46  29218.12   2149.38  29322.74   1361.98  231.562 8.5699  232.406 5.4107  -0.8439026     10.13503  
1 1 1 -2  43  17 o 257.784 6.6656  36143.41   1861.07  38451.56   2630.54  33830.30   2633.37  265.382 9.1517  248.783 9.7728  16.59895       13.38889  
1 1 1 -2  43  18 f 354.823 10.254  68985.05   3940.57  69142.06   4743.69  68635.48   7078.16  354.292 12.362  348.703 18.811  5.588470       22.50904  
1 1 1 -2  43  19 o 146.461 3.3906  11635.26   537.854  12919.98   1034.56  11159.40   629.632  154.049 6.2005  143.386 4.0542  10.66286       7.408299  
1 1 1 -2  43  20 o 160.820 3.4510  14036.19   601.114  12954.26   1197.09  14400.98   695.103  153.951 7.1792  162.843 3.9410  -8.892487      8.189787  
1 1 1 -2  43  21 o 174.645 3.6112  16570.00   683.094  17325.86   1362.74  16316.35   789.435  177.791 7.0767  173.206 4.2081  4.585510       8.233364  
1 1 1 -2  43  22 o 66.707  3.1779  2417.68    229.605  2002.66    450.294  2563.50    266.910  59.931  7.0733  68.563  3.6069  -8.631367      7.939870  
1 1 1 -2  43  23 o 74.593  2.6150  3021.82    211.268  3048.96    534.637  3016.80    229.986  74.048  6.7399  74.511  2.8498  -0.4630966     7.317660  
1 1 1 -2  43  24 o 52.666  3.9782  1522.47    225.255  2347.64    460.955  1263.61    258.181  64.803  6.6623  47.738  5.0709  17.06456       8.372600  
1 1 1 -2  43  25 o 109.606 3.1106  6545.26    369.269  6704.92    751.771  6494.49    423.937  109.723 6.3530  109.071 3.5886  0.6521149      7.296462  
1 1 1 -2  43  26 o 88.834  3.3888  4310.07    326.058  3334.15    631.112  4665.40    380.819  76.449  7.7280  92.320  3.8085  -15.87080      8.615489  
1 1 1 -2  43  27 o 76.973  2.8462  3232.58    237.284  2597.75    572.625  3364.19    260.722  66.889  8.0668  78.477  3.0673  -11.58836      8.630256  
1 1 1 -2  43  28 o 74.891  2.4627  3057.96    199.759  2989.55    320.613  3101.36    255.387  73.527  4.0414  75.265  3.1328  -1.737656      5.113473  
1 1 1 -2  43  29 o 22.468  7.1736  290.354    197.023  249.049    310.482  318.200    254.927  23.083  8.8555  23.821  8.1811  -0.7380905     12.05611  
1 1 1 -2  43  30 o 47.447  4.9786  1285.76    252.038  851.376    491.182  1441.00    293.643  35.174  11.337  49.971  5.5174  -14.79700      12.60815  
1 1 1 -2  43  31 o 24.116  1.8110  319.303    46.958   0.0000     0.0000   319.303    46.958   ?       ?       24.116  1.8110  0.000000       1.811004  
1 1 1 -2  43  32 o 32.038  9.9542  748.545    381.819  0.0000     0.0000   748.545    381.819  ?       ?       32.038  9.9542  0.000000       9.954231  
1 1 1 -2  43  33 o 22.038  9.2275  255.838    369.764  0.0000     0.0000   255.838    369.764  ?       ?       22.038  9.2275  0.000000       9.227458  
1 1 1 -2  43  34 o 4.7777  2.2437  -30.1430   29.534   0.0000     0.0000   -30.1430   29.534   ?       ?       4.7777  2.2437  0.000000       2.243742  
1 1 1 -2  44  1  o 356.635 7.0600  68968.14   2727.09  68291.81   4722.88  69306.42   3340.20  354.416 12.303  357.394 8.6289  -2.978455      15.02765  
1 1 1 -2  44  2  o 316.931 6.3762  54455.11   2188.76  56665.30   3790.70  53349.71   2680.80  322.971 10.836  313.608 7.8923  9.362701       13.40586  
1 1 1 -2  44  3  o 339.349 6.7184  62441.43   2469.34  61657.44   4276.44  62833.59   3024.52  336.785 11.724  340.309 8.2057  -3.524323      14.30995  
1 1 1 -2  44  4  o 455.164 8.7144  112442.80  4296.12  100598.50  7439.60  118368.50  5262.18  429.409 15.996  466.785 10.408  -37.37646      19.08404  
1 1 1 -2  44  5  o 204.764 4.3745  22719.79   970.179  22681.31   1688.24  22738.77   1185.48  204.466 7.6233  204.819 5.3438  -0.3527832     9.309736  
1 1 1 -2  44  6  o 598.808 14.188  195513.30  9202.15  0.0000     0.0000   195513.30  9202.15  ?       ?       598.808 14.188  0.000000       14.18834  
1 1 1 -2  44  7  o 270.545 9.7197  39779.15   2848.16  39779.15   2848.16  0.0000     0.0000   270.545 9.7197  ?       ?       0.000000       9.719729  
1 1 1 -2  44  8  o 240.006 5.0861  31228.61   1322.15  31753.53   1619.69  30180.28   2288.92  241.953 6.1806  235.676 8.9670  6.276840       10.89065  
1 1 1 -2  44  9  o 174.320 3.5568  16465.86   671.549  16885.05   950.950  16048.84   948.483  176.476 4.9751  172.046 5.0900  4.429901       7.117554  
1 1 1 -2  44  10 o 117.506 2.9307  7480.83    372.998  7621.56    526.517  7339.04    528.486  118.582 4.0994  116.361 4.1933  2.220856       5.864203  
1 1 1 -2  44  11 o 502.161 9.1511  137192.09  4977.24  139544.80  6510.56  133883.30  7720.98  505.650 11.888  494.386 14.419  11.26419       18.68759  
1 1 1 -2  44  12 o 252.973 4.5961  34701.02   1259.33  35881.28   1782.54  33524.95   1779.38  257.085 6.4017  248.480 6.6116  8.605179       9.202963  
1 1 1 -2  44  13 o 513.347 9.4106  143544.41  5232.37  144580.00  6843.35  142087.00  8118.32  514.147 12.289  508.600 14.737  5.547119       19.18870  
1 1 1 -2  44  14 f 395.596 6.6813  85020.93   2862.74  85837.88   4050.22  84205.34   4046.83  396.868 9.4224  393.054 9.5059  3.814148       13.38445  
1 1 1 -2  44  15 o 129.804 3.3522  9132.64    471.289  9483.87    654.917  8755.41    678.728  132.227 4.5729  127.031 4.9331  5.196449       6.726569  
1 1 1 -2  44  16 o 185.572 5.2641  18694.47   1058.05  19215.73   1493.26  18168.94   1499.36  187.928 7.3362  182.709 7.5766  5.218857       10.54636  
1 1 1 -2  44  17 o 59.983  4.6639  1964.42    300.622  2091.40    411.981  1819.81    439.653  61.711  6.2499  57.372  7.2361  4.339016       9.561548  
1 1 1 -2  44  18 o 172.719 3.6002  16180.34   673.502  16334.58   1336.63  16127.85   779.722  173.153 7.1271  172.393 4.1759  0.7598114      8.260333  
1 1 1 -2  44  19 o 84.318  3.0536  3855.43    278.867  4341.14    552.265  3689.20    323.082  89.133  5.7512  82.457  3.6175  6.676254       6.794355  
1 1 1 -2  44  20 f 82.731  2.9773  3712.98    266.785  3484.83    541.291  3786.19    306.612  79.664  6.3254  83.521  3.3894  -3.857040      7.176213  
1 1 1 -2  44  21 o 260.039 4.7403  36832.59   1335.11  36557.01   2665.14  36924.92   1542.64  256.788 9.5824  260.114 5.4756  -3.326569      11.03651  
1 1 1 -2  44  22 o 134.293 3.2521  9802.43    473.025  9428.70    922.581  9935.71    550.954  130.994 6.5025  135.119 3.7647  -4.125214      7.513713  
1 1 1 -2  44  23 o 70.518  2.6404  2701.16    201.669  2641.11    278.733  2767.14    292.147  69.529  3.7147  71.159  3.8043  -1.629311      5.317135  
1 1 1 -2  44  24 o 16.746  6.6626  84.029     181.099  314.714    387.061  19.375     204.911  26.520  9.9529  16.175  6.8260  10.34500       12.06869  
1 1 1 -2  44  25 o 41.010  1.5358  912.169    68.217   551.572    419.564  921.960    69.137   31.380  10.498  41.229  1.5482  -9.849535      10.61138  
1 1 1 -2  44  26 o 78.199  3.4279  3341.72    290.336  3752.62    576.609  3202.16    336.044  81.652  6.5757  76.301  4.0810  5.350868       7.739154  
1 1 1 -2  44  27 o 126.799 3.3441  8799.22    459.270  7587.25    905.030  9219.58    532.998  115.309 7.2840  129.596 3.7972  -14.28724      8.214324  
1 1 1 -2  44  28 o 19.813  2.8562  218.851    59.522   187.262    61.187   775.970    256.960  18.228  3.2169  36.411  6.7647  -18.18366      7.490633  
1 1 1 -2  44  29 o 42.726  2.4434  999.874    112.602  944.262    122.255  1310.91    289.126  41.456  2.7382  47.858  5.6892  -6.401939      6.313878  
1 1 1 -2  44  30 o 25.676  1.6374  360.294    45.297   360.878    46.035   342.503    254.040  25.693  1.6632  23.973  8.1679  1.720341       8.335550  
1 1 1 -2  44  31 o 33.866  7.8130  739.255    280.751  0.0000     0.0000   739.255    280.751  ?       ?       33.866  7.8130  0.000000       7.813019  
1 1 1 -2  44  32 o 27.093  9.5140  511.503    345.683  0.0000     0.0000   511.503    345.683  ?       ?       27.093  9.5140  0.000000       9.513972  
1 1 1 -2  44  33 o 35.242  2.4072  689.263    91.335   0.0000     0.0000   689.263    91.335   ?       ?       35.242  2.4072  0.000000       2.407219  
1 1 1 -2  44  34 o 16.230  7.6907  -208.2597  361.404  0.0000     0.0000   -208.2597  361.404  ?       ?       16.230  7.6907  0.000000       7.690709  
1 1 1 -2  45  1  o 130.505 3.3537  9226.34    474.046  8152.10    817.272  9771.00    581.943  122.470 6.1812  134.292 4.0009  -11.82235      7.363027  
1 1 1 -2  45  2  o 156.129 3.7699  13206.41   637.503  12661.87   1100.65  13481.33   782.041  152.811 6.6500  157.730 4.5777  -4.919907      8.073279  
1 1 1 -2  45  3  o 353.082 6.9000  67609.34   2638.74  63153.32   4569.08  69839.31   3232.25  340.714 12.381  358.743 8.3186  -18.02893      14.91636  
1 1 1 -2  45  4  o 448.525 8.7353  109207.90  4243.62  106336.60  7350.20  110643.50  5197.35  441.483 15.371  451.203 10.635  -9.719910      18.69187  
1 1 1 -2  45  5  o 273.267 5.5305  40482.19   1636.90  42142.83   2837.57  39653.96   2003.94  278.544 9.4055  270.383 6.8428  8.160553       11.63134  
1 1 1 -2  45  6  o 137.756 6.2064  10291.38   926.017  0.0000     0.0000   10291.38   926.017  ?       ?       137.756 6.2064  0.000000       6.206388  
1 1 1 -2  45  7  o 277.714 7.0152  41850.07   2110.13  41850.07   2110.13  0.0000     0.0000   277.714 7.0152  ?       ?       0.000000       7.015229  
1 1 1 -2  45  8  o 379.125 7.4901  78032.95   3075.68  76277.36   3767.08  81543.27   5326.82  374.587 9.2850  386.660 12.719  -12.07251      15.74787  
1 1 1 -2  45  9  o 138.450 3.1408  10385.57   470.974  10651.56   668.120  10122.83   664.016  140.180 4.4005  136.654 4.4863  3.525925       6.284163  
1 1 1 -2  45  10 o 221.005 4.3884  26477.53   1050.46  26387.94   1395.98  26594.49   1594.99  220.546 5.8440  221.349 6.6529  -0.8035278     8.855120  
1 1 1 -2  45  11 o 154.328 3.3099  12906.35   553.261  13429.68   781.602  12380.80   783.258  157.380 4.5853  151.101 4.7859  6.278915       6.627960  
1 1 1 -2  45  12 o 190.309 3.7404  19630.84   770.990  19382.76   1091.15  19878.20   1089.54  189.018 5.3298  191.423 5.2551  -2.405212      7.484835  
1 1 1 -2  45  13 o 170.082 3.5323  15679.18   650.711  17023.02   922.422  14347.96   918.081  177.158 4.8073  162.621 5.2124  14.53639       7.090740  
1 1 1 -2  45  14 o 247.966 4.7896  33354.32   1286.36  34357.87   1707.80  32038.31   1955.67  251.519 6.2690  242.738 7.4385  8.780273       9.727876  
1 1 1 -2  45  15 o 95.340  4.1001  4929.20    423.390  4777.54    593.577  5086.28    604.088  93.612  5.8842  96.610  5.7999  -2.997978      8.262148  
1 1 1 -2  45  16 f 117.492 4.2618  7488.06    542.342  7281.23    762.502  7699.83    771.552  115.598 6.1118  118.895 6.0110  -3.296806      8.572377  
1 1 1 -2  45  17 o 231.929 4.3302  29186.76   1087.76  28851.22   2167.72  29299.68   1257.54  229.922 8.7047  232.303 4.9980  -2.381653      10.03753  
1 1 1 -2  45  18 o 254.824 4.6658  35260.97   1287.77  35271.97   2566.12  35257.27   1488.81  253.838 9.3336  254.695 5.3970  -0.8565979     10.78163  
1 1 1 -2  45  19 o 278.400 5.0061  42139.07   1509.53  43029.09   3016.54  41841.74   1743.55  279.708 9.9571  277.228 5.8067  2.479767       11.52654  
1 1 1 -2  45  20 o 116.354 3.1048  7346.42    391.275  7639.64    770.836  7244.65    454.129  118.171 6.0427  115.503 3.6301  2.668839       7.049283  
1 1 1 -2  45  21 o 96.870  2.9972  5094.49    314.472  5177.96    623.931  5066.07    364.101  97.127  5.9598  96.558  3.4815  0.5692825      6.902169  
1 1 1 -2  45  22 o 115.852 3.0668  7293.56    384.826  7290.89    747.735  7294.52    448.831  115.119 6.0179  115.788 3.5789  -0.6690521     7.001654  
1 1 1 -2  45  23 o 38.234  5.4055  817.247    217.609  949.067    419.143  768.604    254.613  40.246  9.7240  36.778  6.6360  3.468933       11.77253  
1 1 1 -2  45  24 o 25.207  6.5649  365.065    181.009  764.994    400.954  262.695    202.857  36.040  9.9464  22.135  7.2955  13.90460       12.33507  
1 1 1 -2  45  25 o 67.410  2.5607  2471.44    186.963  2492.00    250.686  2445.67    280.656  67.488  3.4410  66.759  3.8984  0.7285461      5.199768  
1 1 1 -2  45  26 o 37.154  6.0174  786.929    233.868  -290.7794  440.036  1211.18    276.090  19.408  8.9596  46.402  5.6071  -26.99433      10.56951  
1 1 1 -2  45  27 f 60.861  2.7005  2020.13    178.016  2329.19    513.912  1977.99    189.764  63.437  7.6327  60.189  2.9109  3.248810       8.168936  
1 1 1 -2  45  28 f 48.027  4.9375  1296.69    253.187  1044.66    473.623  1397.53    299.586  40.587  10.643  49.595  5.6796  -9.008099      12.06361  
1 1 1 -2  45  29 o 68.863  2.3485  2588.42    175.166  2562.34    273.994  2606.45    227.799  68.013  3.7338  68.917  3.0518  -0.9038162     4.822286  
1 1 1 -2  45  30 o 59.263  2.1812  1920.38    140.006  1912.58    212.394  1926.37    186.183  58.670  3.3563  59.136  2.9068  -0.4656029     4.440094  
1 1 1 -2  45  31 o 19.165  8.4887  20.706     349.127  0.0000     0.0000   20.706     349.127  ?       ?       19.165  8.4887  0.000000       8.488692  
1 1 1 -2  45  32 o 52.062  7.0172  1701.65    385.610  0.0000     0.0000   1701.65    385.610  ?       ?       52.062  7.0172  0.000000       7.017160  
1 1 1 -2  45  33 o 24.325  9.3369  406.817    345.272  0.0000     0.0000   406.817    345.272  ?       ?       24.325  9.3369  0.000000       9.336887  
1 1 1 -2  45  34 o 23.101  9.4708  348.020    378.427  0.0000     0.0000   348.020    378.427  ?       ?       23.101  9.4708  0.000000       9.470844  
1 1 1 -2  46  1  o 811.684 19.031  360728.41  16730.61 357118.19  23661.84 364337.91  23659.46 803.052 27.204  811.312 26.924  -8.260010      38.27521  
1 1 1 -2  46  2  o 119.591 4.1012  7749.29    531.222  7656.69    755.656  7839.78    746.943  118.841 5.8707  120.257 5.7347  -1.415451      8.206762  
1 1 1 -2  46  3  o 69.516  3.5740  2625.07    268.187  2794.13    384.664  2465.17    374.104  71.627  4.9895  67.241  5.1766  4.386368       7.189680  
1 1 1 -2  46  4  o 244.699 6.3142  32471.02   1673.49  32729.78   2370.92  32214.11   2362.45  245.506 8.9163  243.561 8.9554  1.944611       12.63722  
1 1 1 -2  46  5  o 317.026 11.098  54673.88   3810.72  0.0000     0.0000   54673.88   3810.72  ?       ?       317.026 11.098  0.000000       11.09794  
1 1 1 -2  46  6  o 287.663 10.229  44998.86   3187.04  44998.86   3187.04  0.0000     0.0000   287.663 10.229  ?       ?       0.000000       10.22902  
1 1 1 -2  46  7  f 179.046 5.1052  17380.27   990.022  17380.27   990.022  0.0000     0.0000   179.046 5.1052  ?       ?       0.000000       5.105157  
1 1 1 -2  46  8  o 78.547  2.7588  3342.37    234.704  3237.23    336.095  3442.45    327.901  77.181  4.0345  79.702  3.7984  -2.520844      5.541233  
1 1 1 -2  46  9  o 65.481  2.8218  2322.94    200.131  2639.47    282.158  2002.48    283.905  69.688  3.7520  60.624  4.3527  9.063850       5.746638  
1 1 1 -2  46  10 o 311.492 5.4720  52631.25   1846.15  53880.08   2611.54  51383.75   2610.15  314.920 7.6564  307.515 7.8366  7.405212       10.95597  
1 1 1 -2  46  11 o 172.747 3.5310  16172.69   660.669  15703.53   935.717  16639.08   932.942  170.156 5.0772  175.160 4.9176  -5.003555      7.068297  
1 1 1 -2  46  12 o 101.225 2.8712  5551.97    314.794  5411.25    440.540  5698.79    449.982  99.907  4.0711  102.528 4.0521  -2.620567      5.744033  
1 1 1 -2  46  13 o 385.456 6.5796  80702.04   2746.92  85171.77   3885.59  76236.27   3883.86  395.456 9.0717  374.014 9.5875  21.44205       13.19910  
1 1 1 -2  46  14 o 326.529 8.0736  58022.07   2855.35  58166.06   4038.50  57878.14   4037.64  326.140 11.433  325.325 11.459  0.8154602      16.18671  
1 1 1 -2  46  15 f 132.283 4.4291  9491.83    634.590  10274.56   894.827  8699.88    900.088  137.536 6.0069  126.349 6.6001  11.18689       8.924409  
1 1 1 -2  46  16 o 101.711 3.8873  5610.48    428.240  5927.57    643.054  5357.79    574.049  104.305 5.7139  99.187  5.3634  5.117981       7.836740  
1 1 1 -2  46  17 o 202.327 4.1000  22209.42   898.480  22289.56   1694.64  22178.08   1059.68  202.224 7.7371  202.113 4.8407  0.1111603      9.126592  
1 1 1 -2  46  18 o 133.571 3.2439  9675.31    469.295  9960.60    913.643  9573.06    546.965  135.275 6.2358  132.829 3.8019  2.445358       7.303356  
1 1 1 -2  46  19 o 188.062 3.7722  19198.99   768.362  20114.25   1531.02  18890.86   888.335  191.850 7.3680  186.467 4.3985  5.382889       8.581024  
1 1 1 -2  46  20 o 229.956 4.3174  28756.75   1075.33  28606.39   2147.32  28807.08   1242.33  227.909 8.6989  229.997 4.9870  -2.088455      10.02707  
1 1 1 -2  46  21 o 140.215 3.2301  10680.20   490.551  10533.90   978.460  10729.32   566.950  138.593 6.5182  140.465 3.7265  -1.871933      7.508297  
1 1 1 -2  46  22 o 105.118 3.0361  6005.19    345.677  6136.18    718.524  5965.74    394.307  105.462 6.3195  104.715 3.4766  0.7467422      7.212677  
1 1 1 -2  46  23 o 82.864  3.1662  3735.80    284.165  3720.96    581.556  3740.46    325.694  81.814  6.6196  82.856  3.6293  -1.041649      7.549202  
1 1 1 -2  46  24 o 52.852  3.8325  1533.20    217.902  1269.56    463.483  1608.01    246.888  46.480  9.5267  54.051  4.2515  -7.571648      10.43228  
1 1 1 -2  46  25 o 62.746  3.6569  2158.50    247.447  1910.62    503.953  2237.25    284.045  57.555  8.3261  63.777  4.1342  -6.222160      9.296025  
1 1 1 -2  46  26 o 92.951  2.9435  4712.40    296.344  4330.23    651.521  4812.10    332.758  87.462  6.9345  93.851  3.2736  -6.388489      7.668303  
1 1 1 -2  46  27 o 43.279  5.1193  1054.06    235.324  622.429    457.642  1209.21    274.378  32.410  10.963  46.234  5.5929  -13.82425      12.30744  
1 1 1 -2  46  28 o 40.060  5.5409  915.313    233.975  1280.72    460.855  788.419    271.580  45.532  9.6451  36.549  7.1165  8.982956       11.98631  
1 1 1 -2  46  29 o 28.698  1.8991  450.341    58.694   443.922    60.241   570.511    260.660  28.482  1.9648  30.518  7.8433  -2.035570      8.085617  
1 1 1 -2  46  30 o 32.371  2.7894  581.038    96.844   487.162    102.791  1322.62    288.906  29.485  3.2740  47.495  5.7320  -18.00980      6.601168  
1 1 1 -2  46  31 o 37.391  8.8082  936.452    350.845  0.0000     0.0000   936.452    350.845  ?       ?       37.391  8.8082  0.000000       8.808228  
1 1 1 -2  46  32 o 27.395  9.8335  536.407    371.155  0.0000     0.0000   536.407    371.155  ?       ?       27.395  9.8335  0.000000       9.833452  
1 1 1 -2  46  33 o 31.212  9.6092  738.058    356.736  0.0000     0.0000   738.058    356.736  ?       ?       31.212  9.6092  0.000000       9.609231  
1 1 1 -2  47  1  o 153.257 3.7968  12725.97   630.244  12364.21   773.316  13441.55   1087.61  151.043 4.7270  157.439 6.3781  -6.395157      7.938803  
1 1 1 -2  47  2  o 53.088  3.2209  1532.43    184.323  1643.14    232.298  1344.23    302.862  54.928  3.9306  49.460  5.7615  5.468342       6.974597  
1 1 1 -2  47  3  o 219.735 4.6675  26168.09   1110.84  27461.53   1362.79  23607.17   1917.58  225.063 5.5906  208.522 8.4905  16.54080       10.16574  
1 1 1 -2  47  4  o 77.775  3.0920  3276.97    260.462  3123.99    328.675  3535.23    427.041  75.822  4.0165  80.610  4.9146  -4.787811      6.347108  
1 1 1 -2  47  5  o 209.923 5.6428  23894.90   1282.99  23332.57   1815.18  24456.29   1813.65  207.301 8.0844  212.248 7.8893  -4.946228      11.29598  
1 1 1 -2  47  6  o 423.010 10.144  97325.00   4647.68  97325.00   4647.68  0.0000     0.0000   423.010 10.144  ?       ?       0.000000       10.14414  
1 1 1 -2  47  7  o 97.009  2.7553  5098.18    289.499  5068.34    410.091  5127.83    408.739  96.708  3.9151  97.275  3.8795  -0.5665894     5.511707  
1 1 1 -2  47  8  o 305.038 5.3655  50460.13   1772.70  51688.11   2507.75  49233.67   2506.21  308.523 7.5046  301.089 7.6852  7.434113       10.74154  
1 1 1 -2  47  9  o 253.876 4.6220  34943.48   1270.92  34109.64   1797.48  35777.09   1797.22  250.682 6.6202  256.750 6.4628  -6.067917      9.251732  
1 1 1 -2  47  10 o 360.594 6.2190  70571.73   2428.90  71934.81   3435.54  69209.54   3434.42  363.674 8.7219  356.689 8.8898  6.985291       12.45396  
1 1 1 -2  47  11 o 108.477 2.8995  6375.82    340.662  6493.25    489.098  6265.17    474.759  109.442 4.1261  107.504 4.0774  1.938011       5.800825  
1 1 1 -2  47  12 o 137.129 3.2374  10190.62   480.836  10800.13   663.900  9518.18    697.341  141.132 4.3432  132.471 4.8602  8.661209       6.518038  
1 1 1 -2  47  13 o 139.248 4.3981  10515.14   663.329  11103.88   942.356  9936.95    933.879  143.004 6.0841  135.264 6.3744  7.740112       8.811859  
1 1 1 -2  47  14 o 52.286  4.5843  1494.25    256.996  1424.54    345.933  1580.12    383.922  50.807  6.4303  53.500  6.7774  -2.693184      9.342465  
1 1 1 -2  47  15 o 60.037  2.7926  1953.33    181.595  2067.91    393.552  1922.33    204.689  61.410  5.9933  59.468  3.1895  1.941799       6.789186  
1 1 1 -2  47  16 o 208.112 4.0170  23491.61   905.469  24988.71   1288.28  22030.02   1272.91  214.489 5.5454  201.359 5.8366  13.13007       8.050923  
1 1 1 -2  47  17 o 131.896 3.2058  9432.32    457.969  9156.52    964.403  9512.62    520.387  129.496 6.9008  132.435 3.6279  -2.938599      7.796328  
1 1 1 -2  47  18 o 114.377 3.0508  7093.82    377.940  7303.43    746.135  7021.48    438.333  115.688 5.9751  113.765 3.5573  1.923203       6.953846  
1 1 1 -2  47  19 o 251.923 4.6141  34502.42   1259.01  33320.59   2513.93  34898.07   1454.57  246.070 9.4324  253.206 5.3038  -7.136826      10.82135  
1 1 1 -2  47  20 o 41.357  2.3434  930.440    104.538  1582.81    355.833  868.816    109.364  53.458  6.2644  39.943  2.5412  13.51505       6.760204  
1 1 1 -2  47  21 o 110.531 3.0213  6635.27    361.703  7144.42    717.549  6461.83    418.805  114.104 5.8255  109.017 3.5469  5.086662       6.820281  
1 1 1 -2  47  22 o 90.251  2.8215  4425.17    275.806  4892.88    623.881  4311.56    307.484  94.149  6.1519  89.046  3.1881  5.103104       6.928939  
1 1 1 -2  47  23 o 77.197  3.2345  3243.49    270.441  2796.40    559.046  3380.09    309.004  70.575  7.4249  78.756  3.6225  -8.181213      8.261492  
1 1 1 -2  47  24 o 69.786  2.1983  2644.98    166.160  2830.81    270.931  2532.94    210.367  72.043  3.4721  68.226  2.8468  3.816338       4.489991  
1 1 1 -2  47  25 o 122.302 3.1358  8155.96    415.384  9743.37    845.949  7651.63    476.826  132.539 5.8929  118.297 3.7215  14.24259       6.969647  
1 1 1 -2  47  26 o 33.631  5.9417  648.018    208.518  384.130    322.168  838.257    273.540  26.575  9.1929  38.055  6.8902  -11.48042      11.48845  
1 1 1 -2  47  27 o 36.905  6.1481  784.313    237.106  822.207    447.754  769.546    279.514  36.346  10.673  36.113  7.3950  0.2333298      12.98434  
1 1 1 -2  47  28 o 60.322  4.1836  2020.95    271.646  1868.43    518.997  2078.50    318.802  55.648  8.9115  60.912  4.8730  -5.263832      10.15686  
1 1 1 -2  47  29 o 56.027  4.3134  1759.40    259.734  2240.20    508.049  1589.27    302.214  61.039  7.8679  52.748  5.3644  8.291149       9.522636  
1 1 1 -2  47  30 o 28.099  1.3286  429.312    40.435   435.708    40.957   183.335    253.997  28.307  1.3359  20.012  7.9129  8.295410       8.024874  
1 1 1 -2  47  31 o 19.625  1.9162  212.556    40.210   0.0000     0.0000   212.556    40.210   ?       ?       19.625  1.9162  0.000000       1.916153  
1 1 1 -2  47  32 o 32.350  9.4135  756.135    349.739  0.0000     0.0000   756.135    349.739  ?       ?       32.350  9.4135  0.000000       9.413493  
1 1 1 -2  47  33 o 25.151  9.6810  456.929    371.872  0.0000     0.0000   456.929    371.872  ?       ?       25.151  9.6810  0.000000       9.681027  
1 1 1 -2  48  1  o 336.138 6.7180  61288.87   2445.82  62244.04   2996.19  59381.13   4234.35  338.616 8.1694  330.301 11.836  8.314484       14.38165  
1 1 1 -2  48  2  o 64.522  3.2218  2255.39    225.154  2322.00    277.892  2128.10    384.141  65.343  3.9450  62.385  5.7499  2.957680       6.973102  
1 1 1 -2  48  3  o 271.556 5.5408  39982.07   1629.68  41424.40   1997.93  37114.59   2817.08  276.338 6.6753  261.297 9.9539  15.04022       11.98498  
1 1 1 -2  48  4  o 145.650 4.4883  11497.59   708.048  11404.89   1002.98  11589.67   999.689  145.002 6.3863  146.174 6.3143  -1.172607      8.980812  
1 1 1 -2  48  5  o 165.134 6.8117  14796.47   1218.32  14796.47   1218.32  0.0000     0.0000   165.134 6.8117  ?       ?       0.000000       6.811689  
1 1 1 -2  48  6  o 197.080 4.4044  21052.38   940.161  21373.15   1152.13  20413.07   1626.52  198.535 5.3579  193.890 7.7452  4.644760       9.417793  
1 1 1 -2  48  7  o 189.611 3.7209  19482.68   764.146  20221.81   1082.30  18748.00   1079.04  193.115 5.1744  185.936 5.3580  7.178894       7.448671  
1 1 1 -2  48  8  o 38.618  3.3992  814.381    140.730  760.454    199.953  867.316    198.104  37.101  5.1116  39.721  4.6955  -2.620300      6.940931  
1 1 1 -2  48  9  o 403.178 6.8791  88258.79   3004.00  86862.66   4248.39  89654.80   4248.21  399.441 9.8198  405.844 9.6644  -6.402527      13.77784  
1 1 1 -2  48  10 o 308.182 5.8659  51538.12   1958.01  53378.72   2577.03  49024.48   3011.56  313.425 7.5913  300.123 9.2645  13.30194       11.97744  
1 1 1 -2  48  11 o 70.635  3.0057  2703.49    229.949  2632.88    336.615  2765.27    314.868  69.537  4.4934  71.303  4.0943  -1.765320      6.078951  
1 1 1 -2  48  12 o 365.419 7.2234  72568.00   2858.92  71587.58   3502.27  74526.10   4949.48  362.610 8.9174  369.067 12.382  -6.457062      15.25876  
1 1 1 -2  48  13 o 352.786 8.6453  67765.20   3303.39  69360.67   4670.74  66168.41   4672.65  355.992 12.114  347.613 12.411  8.379333       17.34261  
1 1 1 -2  48  14 o 455.326 10.925  113336.90  5387.75  115113.80  7619.49  111560.00  7619.38  456.775 15.401  449.534 15.649  7.240509       21.95648  
1 1 1 -2  48  15 f 166.072 3.4817  14952.22   626.258  15143.23   896.202  14769.94   875.487  167.037 4.9536  164.969 4.8998  2.067719       6.967517  
1 1 1 -2  48  16 o 89.238  3.0612  4316.71    295.882  4624.12    429.350  4038.67    408.322  92.319  4.2939  86.162  4.3899  6.156792       6.140737  
1 1 1 -2  48  17 o 173.731 3.5777  16370.54   673.214  15230.01   1341.18  16754.70   778.378  167.147 7.4083  175.716 4.0899  -8.568878      8.462280  
1 1 1 -2  48  18 o 183.428 3.7060  18258.63   736.287  19494.09   1469.43  17844.46   850.799  188.998 7.1783  181.267 4.3335  7.730240       8.384943  
1 1 1 -2  48  19 o 128.792 3.1382  9000.28    437.757  9074.62    866.985  8974.85    507.152  128.959 6.2071  128.566 3.6420  0.3929749      7.196693  
1 1 1 -2  48  20 o 140.422 3.2596  10707.82   495.765  11226.70   978.806  10528.77   574.974  143.248 6.3087  139.173 3.8144  4.074844       7.372159  
1 1 1 -2  48  21 o 145.181 3.3640  11458.39   528.978  10569.77   1018.90  11786.29   618.925  138.628 6.7860  147.150 3.8833  -8.522705      7.818537  
1 1 1 -2  48  22 o 62.842  3.3844  2155.07    229.508  2161.80    486.546  2153.15    260.286  62.070  7.3820  62.744  3.8487  -0.6740303     8.324998  
1 1 1 -2  48  23 o 96.389  2.8922  5052.60    301.947  5659.51    662.964  4893.76    339.166  101.123 6.0813  94.802  3.3031  6.320778       6.920444  
1 1 1 -2  48  24 f 51.678  3.9148  1467.88    217.494  1194.92    464.416  1544.56    246.157  44.895  9.8238  52.933  4.3314  -8.038403      10.73628  
1 1 1 -2  48  25 o 202.813 3.9582  22529.64   869.495  24672.78   1746.73  21823.66   1002.53  208.966 7.7175  199.186 4.6470  9.780426       9.008600  
1 1 1 -2  48  26 o 118.093 3.2305  7622.52    413.198  7698.26    786.154  7593.62    485.695  117.081 6.2218  117.657 3.8113  -0.5759354     7.296328  
1 1 1 -2  48  27 o 98.624  3.0230  5318.91    322.921  4562.79    697.384  5525.28    364.333  89.050  7.2945  100.409 3.3501  -11.35894      8.026994  
1 1 1 -2  48  28 o 90.076  3.3858  4457.04    330.331  4613.27    655.245  4403.80    382.493  89.523  6.8088  89.307  3.9543  0.2153168      7.873717  
1 1 1 -2  48  29 o 32.810  6.4707  642.115    221.775  517.012    456.875  680.680    253.664  29.232  10.844  33.469  7.2104  -4.236557      13.02247  
1 1 1 -2  48  30 o 20.519  1.6643  230.982    36.669   231.318    37.081   216.108    246.837  20.531  1.6822  20.543  7.8923  -0.1126289E-01 8.069600  
1 1 1 -2  48  31 o 30.844  9.5934  668.814    354.531  0.0000     0.0000   668.814    354.531  ?       ?       30.844  9.5934  0.000000       9.593352  
1 1 1 -2  48  32 o 24.228  9.1445  386.683    327.719  0.0000     0.0000   386.683    327.719  ?       ?       24.228  9.1445  0.000000       9.144533  
1 1 1 -2  48  33 o 29.698  9.9247  686.879    374.997  0.0000     0.0000   686.879    374.997  ?       ?       29.698  9.9247  0.000000       9.924675  
1 1 1 -2  49  1  o 257.784 5.3857  36028.35   1503.72  36314.22   1841.96  35457.15   2603.68  258.734 6.5729  255.437 9.4110  3.296753       11.47908  
1 1 1 -2  49  2  o 112.052 2.8564  6801.80    346.662  6771.91    490.409  6831.65    490.099  111.788 4.0504  112.280 4.0301  -0.4923859     5.713736  
1 1 1 -2  49  3  o 397.062 6.7712  85540.07   2912.04  84639.10   4118.76  86440.58   4117.73  394.587 9.6373  398.780 9.5335  -4.193268      13.55599  
1 1 1 -2  49  4  o 302.188 6.1321  49531.96   2007.03  47900.41   3476.29  50347.72   2458.09  296.671 10.819  304.550 7.4519  -7.879791      13.13673  
1 1 1 -2  49  5  o 416.836 8.1663  94373.59   3686.90  93158.06   4515.50  96804.65   6385.92  413.826 10.074  420.971 14.006  -7.145172      17.25253  
1 1 1 -2  49  6  o 122.235 2.9789  8094.82    394.378  8203.42    550.350  7980.19    565.426  123.028 4.1301  121.339 4.3024  1.689560       5.963903  
1 1 1 -2  49  7  o 63.477  2.7087  2182.88    186.229  2382.06    263.694  1984.68    263.041  66.197  3.6926  60.378  4.0457  5.818729       5.477478  
1 1 1 -2  49  8  o 155.597 3.3224  13118.83   559.908  13110.54   793.843  13127.03   789.831  155.502 4.7133  155.600 4.6865  -0.9877014E-01 6.646755  
1 1 1 -2  49  9  o 105.420 2.8349  6021.21    323.692  5944.61    457.685  6097.87    457.854  104.723 4.0351  106.065 3.9855  -1.342484      5.671539  
1 1 1 -2  49  10 o 235.758 4.3296  30134.81   1105.57  31127.95   1566.06  29148.10   1560.98  239.483 6.0376  231.726 6.2194  7.756775       8.667989  
1 1 1 -2  49  11 o 242.941 4.4626  32003.61   1174.24  33416.44   1663.50  30600.48   1657.78  248.098 6.1905  237.389 6.4475  10.70830       8.938329  
1 1 1 -2  49  12 o 19.559  7.0757  171.370    192.613  138.571    269.890  205.416    274.973  20.905  8.1910  22.468  8.3973  -1.562346      11.73058  
1 1 1 -2  49  13 o 220.115 5.8730  26305.45   1400.16  26281.90   1977.24  26329.13   1983.03  219.737 8.3078  219.932 8.3247  -0.1950836     11.76098  
1 1 1 -2  49  14 o 148.274 3.3045  11916.88   530.687  12167.50   758.790  11676.93   742.484  149.758 4.6780  146.708 4.6726  3.049698       6.611915  
1 1 1 -2  49  15 o 205.304 3.9374  22859.24   875.547  22664.32   1244.23  23050.44   1232.28  204.274 5.6236  206.018 5.5225  -1.743454      7.881815  
1 1 1 -2  49  16 o 131.418 3.2206  9363.36    458.415  9322.56    644.929  9405.02    651.717  131.060 4.5433  131.637 4.5710  -0.5765686     6.444821  
1 1 1 -2  49  17 o 167.827 4.3150  15289.76   784.359  16038.04   1274.88  14834.01   994.951  171.574 6.8604  165.178 5.5614  6.396194       8.831394  
1 1 1 -2  49  18 o 40.369  1.3659  882.791    59.723   810.092    86.671   948.521    82.412   38.607  2.0804  41.840  1.8186  -3.232616      2.763204  
1 1 1 -2  49  19 o 162.381 3.5738  14318.14   628.542  14124.71   1197.75  14391.65   738.380  160.693 6.8818  162.715 4.1897  -2.022079      8.056802  
1 1 1 -2  49  20 o 58.597  3.3077  1871.00    209.068  1759.91    403.577  1911.75    244.421  56.262  6.7580  59.171  3.8344  -2.909122      7.770000  
1 1 1 -2  49  21 o 110.208 2.9272  6597.76    349.413  5907.89    664.418  6861.49    410.809  103.629 5.9444  112.332 3.3765  -8.703224      6.836442  
1 1 1 -2  49  22 f 100.862 3.0269  5531.27    330.670  5695.21    628.568  5468.53    388.821  101.671 5.7314  100.209 3.5824  1.462181       6.758865  
1 1 1 -2  49  23 o 38.477  2.0750  805.883    86.155   786.069    93.248   921.467    225.219  37.980  2.2773  40.638  5.2388  -2.658833      5.712360  
1 1 1 -2  49  24 o 119.520 3.1632  7784.34    409.479  8083.87    827.982  7687.37    471.127  120.508 6.3662  118.647 3.6662  1.860847       7.346381  
1 1 1 -2  49  25 o 72.389  2.6400  2852.74    206.986  3411.69    555.705  2762.71    223.035  77.825  6.6566  71.200  2.8922  6.625267       7.257734  
1 1 1 -2  49  26 o 39.055  5.7889  867.772    237.458  504.044    447.856  1010.01    280.065  30.261  10.808  42.001  6.3551  -11.73973      12.53811  
1 1 1 -2  49  27 o 24.745  7.7191  354.777    229.347  -9.3705    435.303  494.702    269.836  21.990  9.6179  28.761  8.2396  -6.771637      12.66471  
1 1 1 -2  49  28 f 48.411  4.7385  1317.81    245.277  808.166    485.970  1492.01    284.120  35.425  11.262  51.361  5.1780  -15.93580      12.39508  
1 1 1 -2  49  29 o 21.367  7.7289  247.408    229.814  997.312    445.290  -24.8562   268.309  38.541  10.418  16.953  7.4784  21.58793       12.82457  
1 1 1 -2  49  30 o 17.668  7.5586  59.017     257.231  0.0000     0.0000   59.017     257.231  ?       ?       17.668  7.5586  0.000000       7.558625  
1 1 1 -2  49  31 o 43.049  7.6754  1187.12    344.752  0.0000     0.0000   1187.12    344.752  ?       ?       43.049  7.6754  0.000000       7.675359  
1 1 1 -2  49  32 o 26.683  9.5498  509.861    349.807  0.0000     0.0000   509.861    349.807  ?       ?       26.683  9.5498  0.000000       9.549773  
1 1 1 -2  49  33 o 18.152  8.0618  48.200     316.976  0.0000     0.0000   48.200     316.976  ?       ?       18.152  8.0618  0.000000       8.061834  
1 1 1 -2  50  1  o 419.338 10.065  95630.24   4571.55  98051.69   6465.79  93209.76   6464.51  423.762 14.087  413.079 14.449  10.68332       20.17973  
1 1 1 -2  50  2  o 78.021  3.8346  3298.58    324.037  3171.88    461.626  3421.66    454.962  76.273  5.6276  79.261  5.3306  -2.988129      7.751497  
1 1 1 -2  50  3  o 118.217 3.3604  7572.08    430.275  7761.33    745.092  7477.40    527.036  119.630 5.7504  117.461 4.1426  2.168327       7.087240  
1 1 1 -2  50  4  o 238.537 6.1955  30866.78   1600.67  29589.57   2261.87  32148.10   2265.51  233.334 8.9500  243.245 8.5991  -9.911880      12.41150  
1 1 1 -2  50  5  o 201.601 4.4711  22030.65   976.292  21652.04   1195.09  22790.20   1692.73  199.813 5.5222  204.866 7.6287  -5.053314      9.417579  
1 1 1 -2  50  6  o 190.638 3.7330  19694.91   770.796  19788.04   1090.78  19602.02   1089.36  191.025 5.2720  190.124 5.2901  0.9008636      7.468576  
1 1 1 -2  50  7  o 156.739 3.3235  13311.99   564.208  13347.77   799.489  13276.49   796.340  156.905 4.7044  156.485 4.6985  0.4192657      6.648840  
1 1 1 -2  50  8  o 177.081 3.5683  16993.68   684.388  17113.23   968.235  16874.31   967.507  177.641 5.0323  176.395 5.0641  1.245956       7.139249  
1 1 1 -2  50  9  o 425.243 7.2033  98227.02   3317.69  97440.15   4691.95  99013.88   4691.90  422.882 10.244  426.304 10.162  -3.422089      14.42892  
1 1 1 -2  50  10 o 413.412 7.0128  92839.42   3140.13  95576.01   4441.81  90105.30   4439.81  418.855 9.7910  406.618 10.081  12.23660       14.05319  
1 1 1 -2  50  11 o 97.089  4.0188  5110.30    422.609  5754.99    599.591  4473.86    595.747  102.846 5.4016  90.575  6.1084  12.27128       8.154117  
1 1 1 -2  50  12 o 158.443 4.8239  13617.67   827.825  13010.66   1178.17  14209.57   1163.41  154.729 7.0302  161.731 6.6416  -7.002243      9.671288  
1 1 1 -2  50  13 o 270.841 5.2164  39808.49   1530.22  40875.33   2023.62  38383.84   2338.48  274.244 6.8127  265.554 8.1304  8.689636       10.60736  
1 1 1 -2  50  14 o 182.786 3.6092  18113.90   714.528  18122.57   1013.75  18105.34   1007.28  182.727 5.1222  182.642 5.0919  0.8444214E-01  7.222478  
1 1 1 -2  50  15 o 88.827  2.7901  4276.13    268.434  4044.41    413.044  4445.56    353.191  86.224  4.4379  90.547  3.6013  -4.323212      5.715278  
1 1 1 -2  50  16 o 78.801  3.0781  3366.46    262.713  3657.50    379.441  3098.48    364.097  81.984  4.2880  75.423  4.4771  6.561325       6.199290  
1 1 1 -2  50  17 o 75.669  3.4827  3105.98    285.435  3015.05    474.328  3157.59    357.388  74.200  5.9522  76.136  4.3520  -1.936562      7.373481  
1 1 1 -2  50  18 o 153.590 3.3559  12800.38   558.261  12987.46   1111.91  12737.32   645.520  154.264 6.6548  153.159 3.8913  1.104141       7.709006  
1 1 1 -2  50  19 o 106.817 3.0129  6191.79    348.579  6084.91    681.847  6229.61    405.586  105.403 5.9974  107.104 3.4963  -1.701675      6.942120  
1 1 1 -2  50  20 o 235.787 4.5507  30293.93   1162.17  29172.93   2178.87  30739.65   1373.92  229.482 8.7662  237.239 5.3470  -7.756393      10.26821  
1 1 1 -2  50  21 o 84.782  2.9979  3905.84    275.295  3409.09    529.527  4089.83    322.272  78.522  6.2788  86.711  3.4315  -8.189217      7.155281  
1 1 1 -2  50  22 o 87.634  3.1555  4177.49    299.508  5056.37    597.093  3882.01    346.215  95.744  5.7850  84.395  3.7876  11.34962       6.914599  
1 1 1 -2  50  23 o 43.714  4.5175  1057.17    210.804  1343.00    419.894  960.854    243.749  48.276  8.3314  41.418  5.5752  6.858585       10.02474  
1 1 1 -2  50  24 o 92.787  3.1445  4692.23    316.020  4922.08    638.613  4617.69    363.670  93.938  6.3133  91.945  3.6518  1.992966       7.293353  
1 1 1 -2  50  25 o 28.692  7.0885  480.896    219.003  -69.7607   414.515  694.126    257.944  21.070  9.2950  34.541  7.1311  -13.47117      11.71530  
1 1 1 -2  50  26 o 41.497  5.1902  969.702    228.175  981.486    447.351  965.558    265.277  39.901  10.286  41.100  6.1481  -1.198483      11.98323  
1 1 1 -2  50  27 o 38.657  2.4781  818.059    103.209  1123.85    470.103  802.574    105.789  42.357  10.338  38.273  2.5669  4.084442       10.65173  
1 1 1 -2  50  28 o 54.337  4.3616  1650.31    254.528  1553.36    507.858  1682.82    294.136  49.798  9.7649  54.597  5.0307  -4.798767      10.98456  
1 1 1 -2  50  29 o 21.064  7.5567  244.278    219.157  -274.0474  449.506  405.907    251.012  18.871  8.8275  25.622  8.0882  -6.751211      11.97266  
1 1 1 -2  50  30 o 22.481  8.0447  299.823    248.223  0.0000     0.0000   299.823    248.223  ?       ?       22.481  8.0447  0.000000       8.044675  
1 1 1 -2  50  31 o 49.032  6.8666  1491.87    354.664  0.0000     0.0000   1491.87    354.664  ?       ?       49.032  6.8666  0.000000       6.866621  
1 1 1 -2  50  32 f 18.189  8.0235  48.973     308.819  0.0000     0.0000   48.973     308.819  ?       ?       18.189  8.0235  0.000000       8.023529  
1 1 1 -2  50  33 o 44.984  7.5898  1340.78    356.637  0.0000     0.0000   1340.78    356.637  ?       ?       44.984  7.5898  0.000000       7.589841  
1 1 1 -2  51  1  o 280.943 7.0569  42837.17   2147.36  44710.63   3038.92  40968.86   3034.74  286.733 9.7852  274.422 10.210  12.31107       14.14205  
1 1 1 -2  51  2  o 317.826 7.8019  54851.13   2685.72  59317.58   3800.13  50393.84   3796.23  330.134 10.628  304.156 11.524  25.97708       15.67609  
1 1 1 -2  51  3  o 229.089 6.0297  28468.20   1496.12  28899.46   2115.72  28036.85   2115.96  230.633 8.4696  227.154 8.6004  3.479507       12.07067  
1 1 1 -2  51  4  o 83.558  3.8063  3783.61    344.473  3732.05    482.205  3837.34    492.268  82.782  5.4078  83.944  5.4437  -1.161606      7.673169  
1 1 1 -2  51  5  o 284.774 5.0289  43971.48   1551.11  44112.09   2196.14  43831.53   2191.06  285.055 7.1131  284.147 7.1194  0.9085388      10.06391  
1 1 1 -2  51  6  o 64.059  2.7512  2223.13    190.887  2462.35    275.217  2001.36    264.984  67.299  3.7911  60.630  4.0586  6.668564       5.553824  
1 1 1 -2  51  7  o 277.396 4.9560  41727.14   1489.02  42550.60   2106.13  40904.21   2105.44  279.941 6.9462  274.457 7.0827  5.483398       9.920411  
1 1 1 -2  51  8  o 59.924  3.0425  1950.66    196.822  2036.91    280.789  1867.34    275.971  61.149  4.2663  58.525  4.3855  2.623936       6.118351  
1 1 1 -2  51  9  o 250.491 4.6007  34023.65   1248.22  33738.98   1764.36  34308.89   1766.13  249.279 6.5348  251.381 6.4867  -2.101303      9.207619  
1 1 1 -2  51  10 o 119.060 4.2281  7685.43    545.228  7671.79    778.258  7698.57    764.076  118.728 6.0723  119.096 5.9234  -0.3683319     8.482883  
1 1 1 -2  51  11 o 370.824 8.9854  74877.93   3608.88  77704.33   5106.61  72057.89   5100.86  376.792 12.513  362.697 12.985  14.09485       18.03261  
1 1 1 -2  51  12 o 225.904 4.8862  27684.50   1195.55  28648.92   2068.77  27200.91   1464.95  229.429 8.3252  223.820 6.0430  5.608917       10.28722  
1 1 1 -2  51  13 o 158.187 3.4023  13563.88   582.919  13887.48   828.524  13246.68   820.281  159.991 4.7812  156.252 4.8469  3.738693       6.808287  
1 1 1 -2  51  14 o 179.760 3.8959  17523.37   758.531  18037.86   1025.21  16901.06   1127.53  182.283 5.1927  176.383 5.9020  5.899765       7.861174  
1 1 1 -2  51  15 o 294.231 5.2333  47011.97   1667.77  45674.20   2359.77  48347.04   2357.39  289.591 7.5234  297.992 7.3039  -8.401337      10.48568  
1 1 1 -2  51  16 o 110.666 3.0875  6639.95    370.079  6873.34    532.911  6422.55    514.326  112.530 4.3724  108.778 4.3654  3.752403       6.178565  
1 1 1 -2  51  17 f 84.921  3.3844  3912.10    311.297  3637.59    515.798  4069.38    390.417  81.540  5.8798  86.574  4.1636  -5.033661      7.204677  
1 1 1 -2  51  18 o 173.003 3.7229  16251.67   697.602  15580.82   1323.47  16509.76   820.899  168.776 7.2399  174.288 4.3486  -5.511795      8.445528  
1 1 1 -2  51  19 o 130.822 3.1391  9290.87    444.797  9619.19    884.409  9179.71    514.617  132.657 6.1554  129.981 3.6554  2.675903       7.158926  
1 1 1 -2  51  20 o 134.806 3.1829  9873.45    464.728  9349.94    916.941  10054.40   539.096  130.519 6.4863  135.965 3.6607  -5.445618      7.448020  
1 1 1 -2  51  21 o 164.835 3.4764  14784.61   620.657  16838.59   1255.68  14120.56   713.971  174.820 6.6316  160.943 4.0958  13.87752       7.794449  
1 1 1 -2  51  22 o 94.942  3.0777  4903.19    316.490  5277.12    641.907  4783.09    363.780  97.688  6.0973  93.699  3.5846  3.989288       7.072905  
1 1 1 -2  51  23 o 85.402  3.1372  3971.99    290.185  3817.13    589.809  4021.45    333.318  82.673  6.6429  85.858  3.5843  -3.185471      7.548237  
1 1 1 -2  51  24 o 57.389  3.8022  1808.47    235.003  1798.44    469.854  1811.82    271.387  55.965  7.9770  57.309  4.4059  -1.343563      9.112903  
1 1 1 -2  51  25 o 112.734 3.0651  6935.21    374.259  7387.42    732.217  6775.28    435.436  115.041 5.8963  111.263 3.6133  3.778854       6.915342  
1 1 1 -2  51  26 o 110.446 3.3098  6676.58    395.933  5939.04    766.036  6945.43    462.500  102.130 6.9667  112.460 3.7970  -10.33060      7.934262  
1 1 1 -2  51  27 o 51.846  4.4059  1497.45    245.068  1270.94    481.181  1576.79    284.769  45.202  10.085  52.995  5.0211  -7.792660      11.26538  
1 1 1 -2  51  28 o 19.714  7.4438  181.654    217.209  170.144    425.840  185.701    252.529  23.728  9.9160  20.558  7.9596  3.170271       12.71545  
1 1 1 -2  51  29 f 51.638  4.5612  1516.13    252.482  1806.37    502.208  1417.96    292.078  53.025  9.0704  49.367  5.5593  3.658825       10.63850  
1 1 1 -2  51  30 o 32.901  7.7949  695.359    273.508  0.0000     0.0000   695.359    273.508  ?       ?       32.901  7.7949  0.000000       7.794908  
1 1 1 -2  51  31 o 27.059  9.6407  506.967    356.120  0.0000     0.0000   506.967    356.120  ?       ?       27.059  9.6407  0.000000       9.640742  
1 1 1 -2  51  32 o 29.674  9.2124  640.393    327.103  0.0000     0.0000   640.393    327.103  ?       ?       29.674  9.2124  0.000000       9.212389  
1 1 1 -2  51  33 o 26.963  9.6157  545.549    354.355  0.0000     0.0000   545.549    354.355  ?       ?       26.963  9.6157  0.000000       9.615736  
1 1 1 -2  52  1  o 332.843 6.5804  60114.58   2372.26  66386.43   4113.05  56988.18   2903.95  349.177 10.875  323.885 8.2780  25.29135       13.66757  
1 1 1 -2  52  2  o 171.017 4.9533  15856.75   917.496  14779.88   1298.67  16929.85   1296.40  165.000 7.2668  176.622 6.7768  -11.62173      9.936378  
1 1 1 -2  52  3  o 371.245 9.0189  74924.99   3626.48  76052.02   5128.77  73798.10   5128.47  373.329 12.684  367.713 12.877  5.616180       18.07465  
1 1 1 -2  52  4  o 179.374 5.0963  17446.58   990.106  18313.40   1398.82  16576.28   1401.62  183.671 7.0316  174.720 7.4066  8.951126       10.21277  
1 1 1 -2  52  5  o 132.450 3.0650  9505.05    439.696  9352.57    622.964  9656.42    620.690  131.351 4.3789  133.470 4.2936  -2.119186      6.132642  
1 1 1 -2  52  6  o 221.575 4.1294  26611.94   990.997  27035.15   1404.19  26191.97   1398.79  223.230 5.8077  219.716 5.8779  3.513474       8.263081  
1 1 1 -2  52  7  o 280.209 5.0178  42580.92   1522.89  40889.42   2153.60  44272.71   2153.78  274.378 7.2468  285.535 6.9642  -11.15771      10.05068  
1 1 1 -2  52  8  f 92.501  2.8527  4635.99    285.811  4856.97    401.647  4409.31    406.799  94.660  3.9175  90.187  4.1645  4.473091       5.717534  
1 1 1 -2  52  9  o 52.492  4.2993  1503.89    242.292  1476.97    341.475  1531.20    343.843  51.793  6.2111  52.759  6.1316  -0.9658813     8.727763  
1 1 1 -2  52  10 o 159.553 4.7629  13807.02   823.084  13528.48   1163.12  14086.42   1164.91  157.814 6.8047  161.044 6.6785  -3.230362      9.534491  
1 1 1 -2  52  11 o 288.492 8.2819  45287.90   2587.83  46484.92   3146.73  42786.79   4548.58  291.972 9.9506  278.473 15.138  13.49863       18.11523  
1 1 1 -2  52  12 o 103.157 3.0237  5766.80    337.839  5934.49    499.429  5625.34    458.716  104.605 4.4081  101.853 4.1582  2.752846       6.059827  
1 1 1 -2  52  13 o 100.979 2.9798  5526.16    325.908  5512.61    466.988  5539.03    455.051  100.816 4.2767  101.061 4.1572  -0.2455215     5.964293  
1 1 1 -2  52  14 o 70.450  3.1011  2690.23    236.625  2641.52    335.339  2738.53    333.942  69.633  4.4699  70.915  4.3690  -1.281509      6.250456  
1 1 1 -2  52  15 o 94.727  2.8716  4863.73    294.620  4817.03    455.571  4897.30    386.264  94.212  4.4646  95.023  3.7531  -0.8115463     5.832487  
1 1 1 -2  52  16 o 108.410 3.0764  6372.44    361.228  6798.41    526.900  5994.69    496.190  111.908 4.3471  105.084 4.3595  6.823708       6.156532  
1 1 1 -2  52  17 o 48.086  4.0928  1264.57    211.131  1292.19    337.753  1246.86    270.493  48.235  6.6410  47.580  5.3410  0.6551285      8.522302  
1 1 1 -2  52  18 o 95.061  2.9266  4902.50    301.331  4757.93    582.123  4955.42    352.188  93.233  5.7933  95.543  3.4033  -2.310524      6.719042  
1 1 1 -2  52  19 o 120.872 3.0540  7931.84    399.819  7965.02    793.886  7920.57    462.794  120.527 6.1013  120.735 3.5390  -0.2077484     7.053402  
1 1 1 -2  52  20 o 78.323  2.3928  3328.65    202.988  3117.84    342.964  3442.31    251.835  75.533  4.2089  79.611  2.9206  -4.078064      5.122976  
1 1 1 -2  52  21 o 133.664 3.1854  9715.92    461.153  9962.99    940.601  9637.74    529.107  134.483 6.4575  133.034 3.6721  1.449402       7.428591  
1 1 1 -2  52  22 o 53.558  3.8932  1573.03    224.297  1783.80    450.034  1503.37    258.721  56.140  7.5963  52.218  4.6222  3.922405       8.892028  
1 1 1 -2  52  23 o 55.516  3.7245  1690.05    222.654  1694.83    461.485  1688.60    254.197  54.391  8.0791  55.385  4.2704  -0.9941750     9.138285  
1 1 1 -2  52  24 o 33.454  5.5412  634.396    193.753  284.009    409.350  735.557    219.951  26.142  10.130  36.000  5.8412  -9.858437      11.69385  
1 1 1 -2  52  25 o 35.678  5.9460  727.175    221.681  1010.78    423.083  619.850    260.268  40.860  9.7042  32.451  7.5474  8.409180       12.29370  
1 1 1 -2  52  26 o 25.907  7.4417  393.937    219.843  -103.0413  411.456  592.501    260.080  20.399  9.1139  31.557  7.6816  -11.15795      11.91933  
1 1 1 -2  52  27 o 104.290 2.9103  5948.50    328.737  4817.98    599.844  6433.81    393.013  92.203  6.0399  108.288 3.3509  -16.08540      6.907161  
1 1 1 -2  52  28 o 63.182  4.0431  2224.92    275.232  2488.83    520.522  2122.50    324.272  64.657  7.5765  61.287  4.9267  3.369865       9.037416  
1 1 1 -2  52  29 o 26.420  7.7243  440.340    234.989  349.616    437.134  477.213    278.681  25.590  10.293  27.267  8.5095  -1.677036      13.35496  
1 1 1 -2  52  30 o 18.860  8.1457  67.434     304.165  0.0000     0.0000   67.434     304.165  ?       ?       18.860  8.1457  0.000000       8.145711  
1 1 1 -2  52  31 o 33.106  9.0171  764.851    332.083  0.0000     0.0000   764.851    332.083  ?       ?       33.106  9.0171  0.000000       9.017093  
1 1 1 -2  52  32 o 20.460  8.5072  200.467    311.187  0.0000     0.0000   200.467    311.187  ?       ?       20.460  8.5072  0.000000       8.507202  
1 1 1 -2  53  1  o 120.570 3.4072  7877.00    444.946  8562.98    771.518  7535.14    544.646  125.648 5.6692  117.906 4.2649  7.742462       7.094272  
1 1 1 -2  53  2  o 192.602 4.3349  20107.59   904.294  21355.45   1568.86  19486.72   1106.62  198.322 7.3037  189.558 5.3900  8.763702       9.077245  
1 1 1 -2  53  3  o 216.745 5.7828  25483.86   1357.55  24354.39   1919.06  26615.21   1920.67  211.694 8.3697  221.334 8.0118  -9.640091      11.58627  
1 1 1 -2  53  4  o 391.721 9.4766  83484.55   4020.68  84683.16   5685.59  82285.53   5686.60  393.633 13.336  387.968 13.533  5.665070       18.99936  
1 1 1 -2  53  5  o 106.616 3.9967  6161.07    461.519  5914.90    637.212  6432.70    669.344  104.266 5.6637  108.744 5.7028  -4.478004      8.037411  
1 1 1 -2  53  6  o 181.931 3.6293  17937.90   715.161  19105.28   1013.45  16779.94   1009.35  187.697 4.9851  175.889 5.2982  11.80862       7.274786  
1 1 1 -2  53  7  o 179.130 3.6253  17390.32   703.366  16946.14   995.860  17832.46   993.562  176.756 5.2018  181.327 5.0590  -4.571136      7.256179  
1 1 1 -2  53  8  o 231.001 7.1020  28986.50   1776.91  28329.40   2192.04  30245.76   3034.49  228.172 8.8698  235.010 11.961  -6.837997      14.89086  
1 1 1 -2  53  9  o 156.215 4.7072  13234.19   796.440  12961.81   1126.66  13506.26   1126.02  154.485 6.7334  157.705 6.5922  -3.220535      9.423143  
1 1 1 -2  53  10 o 174.306 5.0198  16481.78   947.703  17045.50   1346.03  15927.64   1334.56  177.119 7.0165  171.198 7.1973  5.921066       10.05144  
1 1 1 -2  53  11 o 206.760 3.9893  23177.67   893.371  23477.46   1266.26  22880.55   1260.59  207.977 5.6213  205.312 5.6688  2.664841       7.983396  
1 1 1 -2  53  12 o 292.059 5.2070  46291.88   1647.15  46146.76   2332.56  46436.22   2326.28  291.287 7.3934  292.207 7.3502  -0.9193726     10.42534  
1 1 1 -2  53  13 o 140.404 3.2423  10685.54   493.063  11155.75   708.299  10243.45   686.792  143.395 4.5605  137.404 4.6148  5.991333       6.488062  
1 1 1 -2  53  14 o 157.316 3.6369  13419.61   619.688  13047.94   848.808  13843.82   906.808  155.030 5.0550  159.673 5.2434  -4.643250      7.283308  
1 1 1 -2  53  15 o 268.689 4.7998  39199.08   1396.83  40663.59   1979.67  37747.11   1971.19  273.326 6.6872  263.297 6.9121  10.02966       9.617467  
1 1 1 -2  53  16 o 224.253 4.1918  27300.38   1018.14  26891.28   1443.08  27705.85   1436.68  222.286 5.9939  225.649 5.8784  -3.362762      8.395344  
1 1 1 -2  53  17 o 162.109 3.4273  14260.80   601.773  14496.16   853.726  14028.39   848.371  163.277 4.8275  160.614 4.8768  2.662598       6.862052  
1 1 1 -2  53  18 o 119.806 3.0212  7788.92    392.039  6948.61    768.110  8084.94    455.891  112.600 6.3238  122.024 3.4494  -9.423195      7.203360  
1 1 1 -2  53  19 o 36.645  4.5514  742.608    176.756  619.742    307.454  803.264    216.024  32.879  8.5525  37.984  5.4032  -5.104546      10.11633  
1 1 1 -2  53  20 o 66.002  3.0626  2367.13    218.936  2355.14    427.328  2371.39    254.938  65.233  6.1197  65.925  3.5838  -0.6915665     7.091853  
1 1 1 -2  53  21 o 116.553 3.0002  7384.99    378.745  7744.48    743.052  7258.81    440.225  118.743 5.7775  115.470 3.5199  3.272789       6.765357  
1 1 1 -2  53  22 o 88.859  3.1121  4297.37    299.522  3956.18    607.405  4406.99    344.293  84.253  6.7118  89.921  3.5351  -5.668159      7.585868  
1 1 1 -2  53  23 o 31.871  5.7149  577.002    190.030  374.094    399.923  636.175    215.969  27.729  10.170  33.386  6.2007  -5.657063      11.91158  
1 1 1 -2  53  24 o 66.722  2.5908  2422.64    187.230  2454.73    244.506  2377.14    291.119  66.965  3.3821  65.727  4.1100  1.237434       5.322633  
1 1 1 -2  53  25 o 122.692 3.2137  8225.59    427.067  7882.64    864.458  8336.31    491.194  118.129 6.7849  123.346 3.6767  -5.216980      7.717089  
1 1 1 -2  53  26 o 44.183  5.2104  1100.48    244.542  761.990    448.271  1243.89    291.783  35.091  10.766  46.765  5.8913  -11.67471      12.27293  
1 1 1 -2  53  27 o 63.175  3.9527  2210.97    269.103  1979.04    514.425  2298.35    315.750  57.489  8.5196  64.177  4.5724  -6.687820      9.669037  
1 1 1 -2  53  28 o 25.193  7.5811  384.773    223.762  257.221    428.663  432.546    262.340  24.765  10.108  26.567  8.2505  -1.802111      13.04771  
1 1 1 -2  53  29 o 20.682  7.5573  235.954    220.525  560.284    433.883  122.988    256.066  29.000  10.600  18.867  7.7693  10.13246       13.14232  
1 1 1 -2  53  30 o 17.083  7.6905  -48.8277   299.084  0.0000     0.0000   -48.8277   299.084  ?       ?       17.083  7.6905  0.000000       7.690542  
1 1 1 -2  53  31 o 15.197  7.1483  -203.4874  301.763  0.0000     0.0000   -203.4874  301.763  ?       ?       15.197  7.1483  0.000000       7.148280  
1 1 1 -2  53  32 o 24.152  9.2925  393.055    342.514  0.0000     0.0000   393.055    342.514  ?       ?       24.152  9.2925  0.000000       9.292537  
1 1 1 -2  54  1  o 225.115 4.7763  27475.94   1164.57  29521.32   2017.11  26453.28   1426.29  233.100 7.9895  220.814 5.9636  12.28622       9.969774  
1 1 1 -2  54  2  o 307.102 7.6314  51228.23   2538.39  52244.64   3591.21  50213.38   3588.45  309.685 10.707  303.571 10.914  6.114777       15.28862  
1 1 1 -2  54  3  o 155.105 3.8248  13038.39   642.548  12596.69   787.035  13921.27   1112.71  152.423 4.7673  160.159 6.4145  -7.736328      7.992027  
1 1 1 -2  54  4  o 218.675 5.8248  25943.57   1379.60  25642.14   1949.55  26245.94   1952.56  217.199 8.2872  219.750 8.2036  -2.550400      11.66090  
1 1 1 -2  54  5  o 211.952 5.7201  24372.49   1313.15  25821.55   1856.70  22922.29   1857.44  217.987 7.8639  205.340 8.3516  12.64684       11.47130  
1 1 1 -2  54  6  o 88.807  4.0290  4275.04    387.539  4151.58    547.423  4399.08    548.705  87.277  5.8244  89.868  5.6662  -2.590363      8.125886  
1 1 1 -2  54  7  o 93.716  5.8427  4784.36    590.109  4784.36    590.109  0.0000     0.0000   93.716  5.8427  ?       ?       0.000000       5.842747  
1 1 1 -2  54  8  o 329.253 8.1283  58949.82   2898.69  58529.29   4101.31  59369.57   4097.42  327.389 11.566  329.753 11.472  -2.363739      16.29078  
1 1 1 -2  54  9  o 264.534 6.7539  38010.33   1935.12  39059.76   2738.73  36964.05   2734.62  267.780 9.4428  260.456 9.6938  7.323547       13.53276  
1 1 1 -2  54  10 o 91.912  2.8831  4577.53    287.011  4489.96    402.356  4668.25    409.527  91.002  4.0821  92.792  4.0748  -1.789459      5.767826  
1 1 1 -2  54  11 f 80.066  2.7228  3473.57    236.124  3606.33    382.146  3391.58    300.310  81.431  4.3485  79.101  3.5052  2.330078       5.585371  
1 1 1 -2  54  12 o 304.057 5.6171  50196.52   1849.84  50380.84   2437.39  49946.13   2840.85  304.327 7.3946  302.759 8.6632  1.567627       11.39000  
1 1 1 -2  54  13 o 112.071 3.0217  6807.40    366.788  7170.93    525.589  6462.29    512.106  114.979 4.2204  109.146 4.3319  5.833588       6.047962  
1 1 1 -2  54  14 o 158.227 3.4487  13574.96   591.035  13633.16   844.126  13518.98   827.813  158.465 4.9182  157.806 4.8433  0.6590271      6.902567  
1 1 1 -2  54  15 o 172.356 3.5349  16112.12   659.893  16378.17   936.057  15849.27   930.427  173.644 4.9771  170.812 5.0292  2.832123       7.075556  
1 1 1 -2  54  16 o 159.454 3.3901  13792.90   585.488  13892.65   833.139  13695.58   822.965  159.891 4.8109  158.755 4.7861  1.135269       6.786127  
1 1 1 -2  54  17 o 97.189  2.9718  5123.98    312.830  5234.29    450.805  5021.51    434.464  98.144  4.2409  96.134  4.1726  2.010269       5.949411  
1 1 1 -2  54  18 o 114.130 2.9987  7069.45    370.686  7409.78    728.003  6950.33    430.701  116.502 5.7694  113.118 3.5154  3.384285       6.755999  
1 1 1 -2  54  19 o 52.869  3.3010  1524.69    188.079  1502.19    347.723  1533.99    223.612  51.981  6.3052  52.952  3.9269  -0.9709015     7.428084  
1 1 1 -2  54  20 o 40.358  1.4675  882.797    64.150   236.048    298.237  914.172    65.687   23.405  8.7458  41.069  1.4767  -17.66389      8.869587  
1 1 1 -2  54  21 o 58.725  3.4908  1884.23    221.035  2467.65    461.521  1710.58    251.790  66.587  6.4814  55.830  4.1945  10.75678       7.720317  
1 1 1 -2  54  22 o 52.504  1.9860  1496.06    112.937  1641.36    129.171  1024.54    232.691  54.983  2.1690  42.904  5.1077  12.07886       5.549190  
1 1 1 -2  54  23 f 100.698 2.9383  5521.13    320.470  5419.52    564.682  5569.40    389.224  99.039  5.2833  101.010 3.5577  -1.971420      6.369443  
1 1 1 -2  54  24 o 64.263  2.3748  2245.98    165.297  2155.24    486.527  2257.82    175.751  61.416  7.4677  64.415  2.5191  -2.999657      7.881162  
1 1 1 -2  54  25 f 101.112 3.2766  5590.04    358.840  5561.67    702.599  5600.06    417.382  99.240  6.5738  101.032 3.8142  -1.791557      7.600214  
1 1 1 -2  54  26 f 16.822  7.0283  47.134     213.862  354.974    403.493  -73.1328   252.201  26.812  10.140  16.076  7.1625  10.73520       12.41478  
1 1 1 -2  54  27 o 37.241  2.0820  757.605    83.643   1039.03    447.684  747.426    85.143   40.419  10.220  36.981  2.1348  3.438328       10.44066  
1 1 1 -2  54  28 o 65.017  4.0738  2365.66    285.429  1886.30    533.226  2558.17    337.918  54.442  9.3815  67.287  4.6655  -12.84466      10.47758  
1 1 1 -2  54  29 o 19.671  7.6554  184.684    234.531  13.804     430.905  256.613    279.568  20.965  9.3498  21.958  8.4080  -0.9925804     12.57425  
1 1 1 -2  54  30 o 21.321  8.8908  186.206    341.285  0.0000     0.0000   186.206    341.285  ?       ?       21.321  8.8908  0.000000       8.890809  
1 1 1 -2  54  31 o 19.627  8.5417  98.277     339.586  0.0000     0.0000   98.277     339.586  ?       ?       19.627  8.5417  0.000000       8.541706  
1 1 1 -2  54  32 o 21.167  8.6521  238.743    314.641  0.0000     0.0000   238.743    314.641  ?       ?       21.167  8.6521  0.000000       8.652060  
1 1 1 -2  55  1  o 209.061 5.6524  23709.34   1279.90  23730.57   1810.15  23688.10   1809.94  208.978 7.9973  208.790 8.0036  0.1876373      11.31435  
1 1 1 -2  55  2  o 164.671 4.0183  14697.74   716.695  14906.77   878.174  14280.83   1240.21  165.804 4.8901  162.173 7.0607  3.630524       8.588703  
1 1 1 -2  55  3  o 196.320 3.8213  20888.86   812.545  21532.98   1149.53  20245.68   1148.69  199.250 5.3266  193.193 5.4896  6.056824       7.649109  
1 1 1 -2  55  4  o 239.714 4.3110  31151.46   1119.29  33256.00   1586.49  29065.81   1579.36  247.566 5.9167  231.415 6.3012  16.15160       8.643572  
1 1 1 -2  55  5  o 119.714 4.2345  7769.14    549.057  8093.70    775.271  7442.55    777.702  122.131 5.8608  116.942 6.1618  5.189346       8.503944  
1 1 1 -2  55  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  55  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  55  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  55  9  o 264.540 5.0746  37964.26   1454.01  38308.46   1920.88  37502.41   2225.04  265.568 6.6781  262.613 7.8226  2.955139       10.28546  
1 1 1 -2  55  10 o 249.264 4.5818  33698.80   1237.00  34306.34   1750.80  33093.23   1747.97  251.318 6.4319  246.822 6.5385  4.495621       9.171811  
1 1 1 -2  55  11 o 219.563 4.1207  26141.80   979.955  25959.20   1386.50  26324.06   1385.23  218.648 5.8547  220.184 5.8086  -1.535843      8.247225  
1 1 1 -2  55  12 o 171.388 3.5725  15924.91   663.168  15732.86   944.687  16111.51   931.182  170.253 5.1230  172.299 4.9898  -2.046585      7.151435  
1 1 1 -2  55  13 o 264.945 4.7714  38096.41   1369.21  39594.87   1942.73  36617.46   1930.04  269.833 6.6473  259.454 6.8681  10.37994       9.558119  
1 1 1 -2  55  14 o 77.196  2.6727  3229.78    223.471  3549.34    370.823  3047.55    280.032  80.765  4.2541  74.967  3.4488  5.797691       5.476456  
1 1 1 -2  55  15 o 274.884 4.9517  41052.28   1474.26  40875.35   2089.17  41227.77   2080.68  273.842 7.0437  275.035 6.9847  -1.192841      9.919700  
1 1 1 -2  55  16 o 118.078 3.0860  7562.31    394.670  7582.85    573.092  7543.77    544.314  118.137 4.4789  117.851 4.2643  0.2868652      6.184203  
1 1 1 -2  55  17 o 136.665 3.1940  10136.13   472.777  10642.24   683.455  9671.73    654.687  139.889 4.5108  133.355 4.5327  6.533646       6.394747  
1 1 1 -2  55  18 o 121.367 3.0262  7996.32    397.804  7406.58    782.089  8202.15    462.038  116.188 6.2376  122.872 3.4718  -6.683678      7.138663  
1 1 1 -2  55  19 o 80.817  2.8900  3546.84    252.973  3158.00    485.114  3692.07    296.474  75.691  5.9657  82.418  3.3212  -6.726585      6.827875  
1 1 1 -2  55  20 o 25.842  5.5232  379.695    149.906  374.131    268.619  382.211    180.653  26.161  8.3787  25.853  6.4677  0.3080311      10.58457  
1 1 1 -2  55  21 o 50.469  2.0977  1382.21    114.664  829.299    447.564  1421.05    118.623  37.598  10.557  51.171  2.1403  -13.57301      10.77176  
1 1 1 -2  55  22 o 88.080  3.2059  4225.44    305.838  3915.98    601.250  4333.46    355.229  83.752  6.6838  89.118  3.6802  -5.365395      7.629985  
1 1 1 -2  55  23 o 65.339  3.5167  2337.23    247.955  2267.99    498.190  2360.03    285.879  63.204  7.4186  65.544  4.0468  -2.339756      8.450535  
1 1 1 -2  55  24 o 65.744  3.5700  2371.03    253.259  1984.29    508.966  2498.29    291.972  58.495  8.2635  67.377  4.0192  -8.881454      9.189065  
1 1 1 -2  55  25 o 110.402 3.0991  6660.12    370.585  5817.62    767.999  6915.82    423.101  101.102 7.0577  112.372 3.4763  -11.26982      7.867395  
1 1 1 -2  55  26 o 157.105 3.5784  13550.51   608.907  12661.02   1199.37  13859.39   706.766  148.343 7.4890  158.539 4.1159  -10.19585      8.545492  
1 1 1 -2  55  27 f 67.944  3.7977  2556.78    278.356  1992.27    540.278  2760.78    324.779  57.078  9.0405  70.403  4.2795  -13.32433      10.00224  
1 1 1 -2  55  28 o 16.232  6.9766  22.862     220.987  327.118    420.780  -93.0195   259.682  25.406  10.141  15.677  7.1017  9.729057       12.38016  
1 1 1 -2  55  29 o 35.852  7.5446  809.119    283.693  0.0000     0.0000   809.119    283.693  ?       ?       35.852  7.5446  0.000000       7.544642  
1 1 1 -2  55  30 o 20.389  8.5884  149.277    323.441  0.0000     0.0000   149.277    323.441  ?       ?       20.389  8.5884  0.000000       8.588388  
1 1 1 -2  55  31 o 23.883  9.0631  367.362    323.005  0.0000     0.0000   367.362    323.005  ?       ?       23.883  9.0631  0.000000       9.063065  
1 1 1 -2  55  32 o 22.886  8.8946  331.897    316.270  0.0000     0.0000   331.897    316.270  ?       ?       22.886  8.8946  0.000000       8.894631  
1 1 1 -2  56  1  o 172.759 4.0686  16177.68   761.292  15282.16   932.090  17972.16   1319.44  167.864 5.1266  181.947 6.6954  -14.08266      8.432692  
1 1 1 -2  56  2  o 374.328 7.4126  76115.55   3005.32  76513.81   3681.45  75319.92   5203.39  375.023 9.0634  371.209 12.942  3.814789       15.79993  
1 1 1 -2  56  3  o 285.357 5.0496  44161.29   1560.70  44876.30   2207.34  43446.51   2206.98  287.457 7.0897  282.828 7.2045  4.629425       10.10786  
1 1 1 -2  56  4  o 175.213 3.5381  16637.44   671.432  16898.66   951.794  16378.67   947.317  176.521 4.9782  173.781 5.0329  2.739807       7.079076  
1 1 1 -2  56  5  o 117.218 4.0879  7448.35    518.998  8096.35    753.013  6861.98    716.309  122.155 5.6915  112.295 5.9102  9.859856       8.205069  
1 1 1 -2  56  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  56  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -2  56  8  o 257.093 6.6322  35898.89   1846.81  36295.89   2611.87  35501.95   2611.69  258.144 9.3416  255.288 9.4454  2.855270       13.28460  
1 1 1 -2  56  9  o 287.371 7.2543  44886.18   2257.93  45826.48   3193.34  43946.05   3193.04  289.856 10.172  283.803 10.388  6.052643       14.53843  
1 1 1 -2  56  10 o 51.641  2.3594  1444.79    131.967  1665.66    277.852  1380.45    149.961  55.215  4.6904  50.399  2.7576  4.816792       5.441032  
1 1 1 -2  56  11 o 70.211  3.2029  2671.87    243.565  3117.43    360.931  2299.30    330.043  75.682  4.4224  64.929  4.7256  10.75297       6.472116  
1 1 1 -2  56  12 o 222.111 4.1798  26757.93   1005.53  27944.84   1427.28  25588.33   1416.84  226.820 5.8098  217.021 6.0277  9.798889       8.371730  
1 1 1 -2  56  13 o 94.570  3.0793  4847.98    315.413  4793.93    462.222  4895.08    431.484  93.988  4.5406  94.989  4.1939  -1.000961      6.181088  
1 1 1 -2  56  14 o 133.667 3.2167  9687.57    465.693  9546.64    668.687  9820.31    648.936  132.602 4.6559  134.504 4.4545  -1.901718      6.443563  
1 1 1 -2  56  15 o 236.292 4.4042  30320.54   1127.17  29441.66   1599.15  31188.32   1589.02  232.496 6.3504  239.340 6.1298  -6.843918      8.826216  
1 1 1 -2  56  16 o 84.191  3.0347  3844.93    276.731  3687.66    399.520  3989.98    383.675  82.248  4.5019  85.704  4.1333  -3.455917      6.111526  
1 1 1 -2  56  17 o 53.397  3.5661  1555.39    205.057  1665.56    303.851  1463.25    277.875  55.056  5.1555  51.592  5.0370  3.464283       7.207657  
1 1 1 -2  56  18 o 11.455  5.2822  -119.9841  152.315  -452.7063  230.576  137.619    202.884  11.331  5.5522  18.853  7.1760  -7.522403      9.073182  
1 1 1 -2  56  19 o 69.488  3.0843  2623.63    232.133  2502.77    424.153  2675.31    277.358  67.329  5.8752  70.026  3.6696  -2.696861      6.927060  
1 1 1 -2  56  20 o 96.728  2.8300  5083.56    296.489  5807.51    672.494  4908.90    330.325  102.608 6.0783  95.007  3.2101  7.600983       6.873852  
1 1 1 -2  56  21 o 41.569  4.4922  955.702    199.036  940.658    455.854  959.245    221.238  39.895  10.432  41.541  5.0189  -1.645168      11.57622  
1 1 1 -2  56  22 o 60.153  3.5635  1980.59    231.133  1788.40    496.025  2033.90    261.226  55.774  8.4781  60.880  3.9836  -5.106125      9.367357  
1 1 1 -2  56  23 o 46.338  4.1624  1185.72    206.677  1448.70    438.804  1110.75    234.293  49.942  8.4111  44.663  4.9252  5.278988       9.747013  
1 1 1 -2  56  24 o 141.755 3.3237  10980.76   510.309  11550.42   1028.70  10794.82   587.722  143.488 6.6192  140.327 3.8669  3.160904       7.665915  
1 1 1 -2  56  25 o 44.227  4.9784  1097.36    234.327  1215.47    453.915  1054.44    273.604  44.677  9.6616  42.996  6.0419  1.680950       11.39523  
1 1 1 -2  56  26 o 17.250  7.1248  66.050     216.196  -70.6079   411.131  118.283    254.176  20.662  9.1786  19.396  7.8321  1.265940       12.06604  
1 1 1 -2  56  27 o ?       ?       -299.7677  47.596   -673.9468  403.517  -294.4883  47.931   15.111  7.3919  ?       ?       0.000000       7.391885  
1 1 1 -2  56  28 o 25.403  7.6677  401.170    228.643  120.158    439.690  505.322    267.681  22.612  9.7801  28.179  8.2457  -5.566179      12.79227  
1 1 1 -2  56  29 o 45.621  6.1362  1243.16    295.511  0.0000     0.0000   1243.16    295.511  ?       ?       45.621  6.1362  0.000000       6.136153  
1 1 1 -2  56  30 o 31.444  9.3259  691.207    340.431  0.0000     0.0000   691.207    340.431  ?       ?       31.444  9.3259  0.000000       9.325883  
1 1 1 -2  56  31 o 16.429  7.5983  -119.5653  318.577  0.0000     0.0000   -119.5653  318.577  ?       ?       16.429  7.5983  0.000000       7.598278  
1 1 1 -2  56  32 o 21.898  9.1216  252.086    358.700  0.0000     0.0000   252.086    358.700  ?       ?       21.898  9.1216  0.000000       9.121636  
1 1 1 -2  57  1  o 274.901 5.6453  40999.46   1680.85  39934.09   2056.94  43140.66   2916.09  271.174 7.0033  281.513 9.5639  -10.33899      11.85384  
1 1 1 -2  57  2  o 140.978 3.1229  10769.30   476.853  11139.75   675.977  10402.35   672.778  143.345 4.3539  138.515 4.4844  4.830170       6.250320  
1 1 1 -2  57  3  o 69.666  2.7936  2629.55    210.791  2658.72    298.015  2600.34    298.191  69.924  3.9511  69.146  3.9986  0.7778854      5.621439  
1 1 1 -2  57  4  o 273.814 6.9054  40716.97   2047.92  41803.35   2900.45  39636.94   2891.96  277.069 9.6651  269.758 9.8980  7.311066       13.83420  
1 1 1 -2  57  5  o 128.046 4.2921  8889.12    595.253  8999.08    858.654  8787.38    825.930  128.760 6.1570  127.244 5.9929  1.515800       8.592052  
1 1 1 -2  57  6  o 256.703 6.6246  35784.70   1841.87  34905.16   2608.61  36659.12   2601.00  253.160 9.5136  259.482 9.2547  -6.321915      13.27249  
1 1 1 -2  57  7  o 308.910 6.2918  51810.93   2105.12  50914.21   3647.26  52258.88   2577.84  305.414 11.026  310.048 7.6764  -4.634369      13.43482  
1 1 1 -2  57  8  o 99.828  4.1463  5403.17    448.315  5509.58    628.108  5292.65    640.087  100.585 5.7899  98.555  6.0254  2.029915       8.356316  
1 1 1 -2  57  9  o 192.118 5.3631  20029.99   1115.97  19433.67   1572.60  20634.92   1583.91  189.030 7.6810  194.803 7.5069  -5.773224      10.74019  
1 1 1 -2  57  10 o 111.609 4.3495  6755.88    525.787  6507.50    748.598  6997.70    738.652  109.263 6.3531  113.351 6.0383  -4.088219      8.764817  
1 1 1 -2  57  11 o 91.869  3.5134  4575.50    349.601  4879.56    429.447  3978.08    601.968  94.852  4.1802  85.300  6.5660  9.551590       7.783726  
1 1 1 -2  57  12 o 232.144 4.3514  29236.70   1094.09  29404.39   1551.38  29070.78   1543.22  232.602 6.1579  231.279 6.1606  1.323624       8.710493  
1 1 1 -2  57  13 o 37.828  4.7203  788.805    189.189  982.529    275.432  615.760    260.316  42.056  6.2356  32.973  7.4631  9.083057       9.725219  
1 1 1 -2  57  14 o 300.497 5.6070  49097.34   1824.91  50192.10   2407.63  47619.11   2797.70  303.401 7.3266  295.093 8.7533  8.307312       11.41487  
1 1 1 -2  57  15 f 94.803  3.0027  4874.05    308.320  5146.32    442.848  4617.92    429.518  97.349  4.2000  92.210  4.3006  5.139137       6.011293  
1 1 1 -2  57  16 o 131.848 3.1937  9433.08    456.077  9144.14    652.025  9709.88    638.179  129.669 4.6426  133.648 4.4087  -3.978622      6.402332  
1 1 1 -2  57  17 o 140.709 3.2053  10749.29   488.494  10784.24   697.707  10715.69   684.163  140.753 4.5766  140.317 4.5017  0.4363708      6.419565  
1 1 1 -2  57  18 o 185.271 4.2797  18693.93   858.808  17892.33   1479.55  19101.24   1054.67  180.177 7.5816  187.027 5.2064  -6.849609      9.197130  
1 1 1 -2  57  19 o 70.719  2.9455  2717.06    225.613  2297.73    428.603  2877.78    265.352  64.391  6.2231  72.745  3.3678  -8.353661      7.076004  
1 1 1 -2  57  20 o 131.826 3.1678  9451.79    452.303  10303.40   939.768  9195.05    515.997  136.756 6.3446  129.929 3.6667  6.826843       7.327926  
1 1 1 -2  57  21 o 141.352 3.2720  10880.40   500.940  12027.72   1021.96  10517.55   574.720  147.475 6.3981  138.836 3.8219  8.638885       7.452675  
1 1 1 -2  57  22 o 102.176 3.1648  5687.62    350.245  5833.16    722.462  5642.91    400.450  102.285 6.5558  101.677 3.6363  0.6078949      7.496745  
1 1 1 -2  57  23 o 52.504  4.0060  1518.41    226.092  1854.70    477.937  1421.45    256.622  56.765  7.9951  50.619  4.7357  6.145947       9.292408  
1 1 1 -2  57  24 o 39.860  5.1385  893.044    216.672  1335.94    435.944  747.743    249.697  47.512  8.7954  35.976  6.6531  11.53548       11.02830  
1 1 1 -2  57  25 o 62.863  2.6837  2155.41    182.727  2356.09    515.771  2126.61    195.401  63.773  7.6178  62.406  2.8909  1.367073       8.147904  
1 1 1 -2  57  26 o 71.054  2.8080  2759.60    216.103  2747.18    286.357  2776.04    329.370  70.540  3.7616  70.696  4.3222  -0.1559830     5.729856  
1 1 1 -2  57  27 o 67.320  3.8555  2520.12    279.953  2395.54    545.726  2564.62    326.135  62.855  8.2125  67.608  4.4792  -4.752926      9.354562  
1 1 1 -2  57  28 o 13.149  6.1514  -174.0932  218.361  -59.4710   420.189  -216.5010  255.583  20.091  9.0735  13.982  6.5774  6.108958       11.20678  
1 1 1 -2  57  29 o 45.744  8.0429  1332.29    383.945  0.0000     0.0000   1332.29    383.945  ?       ?       45.744  8.0429  0.000000       8.042855  
1 1 1 -2  57  30 o 23.460  9.3455  314.618    356.718  0.0000     0.0000   314.618    356.718  ?       ?       23.460  9.3455  0.000000       9.345462  
1 1 1 -2  57  31 o 16.958  7.7623  -73.3011   320.680  0.0000     0.0000   -73.3011   320.680  ?       ?       16.958  7.7623  0.000000       7.762268  
1 1 1 -2  58  1  o 318.393 5.5292  54997.56   1906.75  55546.95   2697.38  54448.86   2695.72  319.698 7.7899  316.512 7.8635  3.186401       11.06873  
1 1 1 -2  58  2  o 422.205 7.1479  96826.38   3268.67  99185.84   4623.58  94468.93   4621.60  426.704 10.004  416.374 10.248  10.33008       14.32148  
1 1 1 -2  58  3  o 143.839 4.4848  11218.02   698.695  11646.01   994.653  10801.11   981.682  146.473 6.2696  141.052 6.4257  5.421524       8.977658  
1 1 1 -2  58  4  o 339.243 8.2680  62585.57   3037.95  64916.86   4300.27  60262.83   4292.37  344.831 11.514  332.141 11.932  12.68933       16.58115  
1 1 1 -2  58  5  o 124.582 4.2954  8414.93    579.606  8514.09    832.147  8321.49    807.769  125.239 6.1347  123.819 6.0232  1.419365       8.597302  
1 1 1 -2  58  6  o 340.657 5.9071  62987.25   2179.54  63755.07   3083.32  62220.40   3081.35  342.350 8.3153  338.186 8.4123  4.163147       11.82841  
1 1 1 -2  58  7  o 263.233 4.7715  37582.16   1360.40  38206.75   1925.27  36959.36   1922.53  265.215 6.7023  260.837 6.8051  4.377411       9.551445  
1 1 1 -2  58  8  o 182.637 3.6896  18081.67   729.858  18122.21   1035.99  18041.73   1028.40  182.753 5.2338  182.348 5.2070  0.4044647      7.382841  
1 1 1 -2  58  9  o 93.420  4.3037  4732.92    435.466  4720.41    619.179  4745.18    612.558  93.023  6.1806  93.277  6.0967  -0.2536316     8.681611  
1 1 1 -2  58  10 o 59.928  4.6880  1960.31    301.866  1900.81    413.127  2028.46    442.156  58.773  6.6042  60.704  6.8444  -1.930855      9.511157  
1 1 1 -2  58  11 o 245.993 6.4223  32890.61   1711.12  33683.55   2428.52  32108.84   2411.36  248.499 9.0229  242.591 9.1773  5.908279       12.86997  
1 1 1 -2  58  12 o 241.969 6.3727  31837.70   1670.15  31934.12   2372.63  31742.99   2351.40  241.830 9.0584  241.117 9.0038  0.7128296      12.77195  
1 1 1 -2  58  13 o 187.561 3.9758  19086.29   807.673  19063.12   1090.27  19114.48   1202.38  187.305 5.3742  187.490 5.9210  -0.1851044     7.996267  
1 1 1 -2  58  14 o 107.832 3.0689  6305.21    358.429  6423.39    512.403  6191.99    501.561  108.766 4.3496  106.789 4.3364  1.976234       6.141908  
1 1 1 -2  58  15 o 32.113  1.6043  558.736    55.800   417.867    276.362  564.723    56.973   27.586  8.4519  32.243  1.6368  -4.657490      8.608939  
1 1 1 -2  58  16 o 67.116  3.3751  2451.47    244.564  2248.40    378.531  2596.97    320.419  63.996  5.5150  68.980  4.3103  -4.984535      6.999538  
1 1 1 -2  58  17 o 82.862  3.0915  3727.86    277.454  3821.08    410.642  3649.55    376.356  83.646  4.5497  81.784  4.2635  1.862190       6.235189  
1 1 1 -2  58  18 o 83.832  3.3234  3819.75    301.758  3062.87    502.745  4245.99    377.276  74.467  6.2921  88.321  3.9439  -13.85384      7.425979  
1 1 1 -2  58  19 o 76.996  2.9143  3221.07    243.036  2960.75    464.888  3318.98    285.099  73.217  5.9127  78.114  3.3697  -4.896713      6.805511  
1 1 1 -2  58  20 o 78.111  2.6317  3314.54    222.648  3901.97    570.957  3209.19    241.789  83.901  6.3296  76.833  2.9055  7.067589       6.964582  
1 1 1 -2  58  21 o 92.592  3.1655  4667.85    317.460  4262.46    655.992  4791.83    362.770  87.323  6.9946  93.746  3.5728  -6.423019      7.854255  
1 1 1 -2  58  22 o 55.980  3.7400  1719.29    225.462  1481.90    499.129  1780.15    252.714  50.203  9.5279  56.888  4.1296  -6.684631      10.38432  
1 1 1 -2  58  23 o 101.993 3.1359  5674.88    346.425  6391.96    727.995  5464.96    393.879  106.893 6.3160  99.963  3.6379  6.929329       7.288794  
1 1 1 -2  58  24 o 34.235  5.6998  668.702    203.918  1041.59    449.592  572.123    228.807  41.277  10.132  31.281  6.9353  9.995831       12.27790  
1 1 1 -2  58  25 o 77.006  3.3859  3248.65    282.403  3234.00    573.580  3253.34    324.454  75.077  7.1396  76.819  3.9125  -1.742104      8.141372  
1 1 1 -2  58  26 o 48.039  2.5141  1262.99    130.355  1436.03    478.659  1249.13    135.476  48.231  9.5008  47.751  2.6296  0.4808540      9.857954  
1 1 1 -2  58  27 o 28.430  7.3782  495.711    229.168  714.535    442.449  415.482    267.905  32.867  10.771  26.090  8.3688  6.776951       13.64043  
1 1 1 -2  58  28 o 19.939  7.7047  192.236    236.248  232.934    435.885  175.308    281.120  23.901  10.014  20.440  8.2427  3.460985       12.96995  
1 1 1 -2  58  29 o 51.416  6.7316  1610.67    365.869  0.0000     0.0000   1610.67    365.869  ?       ?       51.416  6.7316  0.000000       6.731596  
1 1 1 -2  58  30 o 54.592  6.5215  1829.17    377.979  0.0000     0.0000   1829.17    377.979  ?       ?       54.592  6.5215  0.000000       6.521520  
1 1 1 -2  58  31 o 16.398  7.5937  -123.2819  319.740  0.0000     0.0000   -123.2819  319.740  ?       ?       16.398  7.5937  0.000000       7.593666  
1 1 1 -2  59  1  o 368.452 6.2200  73691.23   2482.24  75042.42   3511.50  72341.71   3509.34  371.394 8.7295  364.620 8.8862  6.774597       12.45664  
1 1 1 -2  59  2  o 359.024 8.7604  70131.11   3406.58  70389.48   4819.91  69873.22   4815.36  358.848 12.401  357.520 12.435  1.327606       17.56201  
1 1 1 -2  59  3  o 237.243 6.2215  30553.60   1598.67  29815.36   2264.62  31286.96   2257.12  234.063 8.9329  239.802 8.6903  -5.738281      12.46262  
1 1 1 -2  59  4  o 176.897 4.9704  16972.95   952.326  18384.72   1354.46  15592.72   1339.25  183.983 6.7970  169.400 7.2992  14.58289       9.973878  
1 1 1 -2  59  5  o 223.523 4.1751  27087.65   1010.79  28248.67   1434.67  25943.33   1424.32  228.144 5.8060  218.619 6.0152  9.524719       8.360133  
1 1 1 -2  59  6  f 84.551  2.9432  3873.76    269.535  3651.80    391.549  4073.67    371.594  81.944  4.4281  86.685  3.9578  -4.741188      5.938997  
1 1 1 -2  59  7  o 169.856 3.5247  15637.91   648.448  16024.56   919.532  15255.42   914.577  171.871 4.9396  167.690 5.0355  4.181000       7.053806  
1 1 1 -2  59  8  o 269.554 4.8596  39417.91   1418.79  39908.19   2008.49  38929.60   2004.45  270.991 6.8430  267.638 6.9148  3.352905       9.728321  
1 1 1 -2  59  9  o 227.915 4.2719  28172.46   1054.54  27823.40   1490.65  28522.17   1492.05  226.329 6.0809  229.161 6.0114  -2.832123      8.550640  
1 1 1 -2  59  10 o 84.505  4.4017  3884.18    401.488  4129.04    574.831  3650.95    561.001  86.963  6.1424  81.718  6.3892  5.245018       8.862843  
1 1 1 -2  59  11 o 352.276 8.6549  67686.20   3302.31  68826.07   4670.87  66547.02   4669.48  354.000 12.182  348.007 12.388  5.993317       17.37453  
1 1 1 -2  59  12 o 63.501  4.9132  2202.46    335.293  2522.56    491.082  1922.93    458.904  67.748  6.7836  58.970  7.3440  8.778248       9.997615  
1 1 1 -2  59  13 o 68.025  4.7764  2525.49    349.691  2704.64    520.137  2377.72    472.381  70.120  6.9397  65.736  6.7295  4.384209       9.666756  
1 1 1 -2  59  14 o 167.221 4.1046  15182.24   743.414  15696.75   916.302  14191.28   1271.66  169.929 4.9785  161.230 7.2821  8.698944       8.821229  
1 1 1 -2  59  15 o 88.485  3.0480  4247.60    292.120  4439.36    418.411  4065.25    408.025  90.384  4.2740  86.375  4.3757  4.008987       6.116702  
1 1 1 -2  59  16 o 153.695 3.3832  12826.71   563.199  13001.68   800.940  12655.58   792.102  154.533 4.7853  152.461 4.7968  2.072678       6.775567  
1 1 1 -2  59  17 o 131.220 3.3044  9354.38    469.634  8765.11    654.089  9981.39    674.717  126.804 4.7625  135.346 4.6026  -8.541466      6.623115  
1 1 1 -2  59  18 o 231.095 4.9697  29169.69   1243.92  28488.57   2153.85  29510.57   1523.72  226.345 8.7857  231.960 6.0649  -5.614655      10.67571  
1 1 1 -2  59  19 o 19.220  6.2120  197.531    147.398  523.146    252.913  30.048     181.387  30.154  7.7129  15.555  6.4837  14.59871       10.07606  
1 1 1 -2  59  20 o 15.735  6.4798  44.894     178.127  10.567     409.816  52.889     197.787  22.263  9.5329  16.628  6.8355  5.634260       11.73028  
1 1 1 -2  59  21 o 36.328  5.0076  737.625    191.797  521.849    448.569  785.898    212.169  31.221  10.845  37.431  5.3887  -6.209223      12.10981  
1 1 1 -2  59  22 o 30.933  5.4793  543.164    176.859  276.804    326.371  653.896    210.434  24.553  9.1541  33.894  5.9492  -9.341213      10.91740  
1 1 1 -2  59  23 o 67.192  3.5697  2476.04    258.858  2891.77    551.294  2358.45    293.189  71.311  7.2379  65.426  4.1590  5.885529       8.347757  
1 1 1 -2  59  24 o 129.323 3.3063  9147.91    463.108  9640.80    942.373  8990.98    531.747  130.628 6.6830  127.990 3.8358  2.638428       7.705600  
1 1 1 -2  59  25 f 116.970 3.2531  7491.14    412.137  7762.55    840.131  7405.12    472.957  116.890 6.6635  116.084 3.7617  0.8059769      7.651954  
1 1 1 -2  59  26 o 52.524  4.4338  1543.07    249.875  2020.17    510.439  1392.70    286.558  58.007  8.3664  49.486  5.4360  8.520931       9.977248  
1 1 1 -2  59  27 o 28.592  7.2457  503.131    224.667  -138.0079  441.502  727.168    260.985  19.995  9.1357  34.498  7.2166  -14.50364      11.64220  
1 1 1 -2  59  28 o 55.473  2.0031  1681.30    120.352  1597.95    178.472  1750.81    162.988  53.676  3.0828  56.417  2.6673  -2.741070      4.076581  
1 1 1 -2  59  29 o 26.592  9.2392  466.065    325.592  0.0000     0.0000   466.065    325.592  ?       ?       26.592  9.2392  0.000000       9.239243  
1 1 1 -2  59  30 o 40.249  8.3497  1080.33    352.060  0.0000     0.0000   1080.33    352.060  ?       ?       40.249  8.3497  0.000000       8.349697  
1 1 1 -2  59  31 o 21.025  8.7266  212.115    326.626  0.0000     0.0000   212.115    326.626  ?       ?       21.025  8.7266  0.000000       8.726581  
1 1 1 -2  60  1  o 212.599 5.7183  24527.12   1316.72  24798.12   1861.90  24255.99   1862.36  213.558 8.0496  211.201 8.1414  2.356964       11.44890  
1 1 1 -2  60  2  o 108.232 4.0375  6350.36    473.307  6318.94    677.288  6380.34    661.700  107.748 5.8252  108.287 5.6614  -0.5386505     8.123074  
1 1 1 -2  60  3  o 261.107 6.6887  37025.94   1891.61  36916.75   2679.06  37134.50   2671.24  260.347 9.5008  261.122 9.4450  -0.7753906     13.39672  
1 1 1 -2  60  4  o 172.874 3.6061  16198.03   675.207  16640.01   955.580  15757.32   954.195  175.146 5.0373  170.430 5.1692  4.716125       7.217639  
1 1 1 -2  60  5  o 139.057 3.2054  10479.07   482.769  10740.09   683.729  10219.55   681.752  140.732 4.4856  137.275 4.5853  3.456924       6.414478  
1 1 1 -2  60  6  o 107.837 2.9321  6301.33    342.465  6477.42    488.069  6130.54    480.654  109.301 4.1227  106.333 4.1735  2.968414       5.866409  
1 1 1 -2  60  7  o 219.982 4.1823  26240.47   996.493  25521.45   1412.63  26952.68   1405.91  216.798 6.0159  222.812 5.8257  -6.014496      8.374357  
1 1 1 -2  60  8  o 280.814 5.0250  42789.66   1528.35  40472.92   2161.63  45105.46   2161.20  272.803 7.3158  288.055 6.9271  -15.25217      10.07497  
1 1 1 -2  60  9  o 104.263 3.0214  5891.55    341.205  6089.43    487.118  5700.94    478.082  105.960 4.2444  102.522 4.3054  3.437904       6.045807  
1 1 1 -2  60  10 o 106.011 2.9968  6091.14    344.098  6335.86    491.733  5856.32    481.677  108.078 4.2007  103.904 4.2801  4.173668       5.997112  
1 1 1 -2  60  11 o 119.547 3.6024  7749.83    466.448  8262.12    851.796  7530.41    557.461  123.094 6.4111  117.806 4.3690  5.287872       7.758245  
1 1 1 -2  60  12 o 93.315  4.4974  4726.82    454.552  5143.49    685.410  4399.69    607.318  96.994  6.5630  89.710  6.2901  7.283340       9.090546  
1 1 1 -2  60  13 o 82.374  4.7051  3697.79    418.045  3258.96    644.045  4017.28    549.547  76.859  7.8466  85.715  5.9564  -8.855530      9.851296  
1 1 1 -2  60  14 o 174.790 5.1082  16618.04   967.070  17721.69   1380.23  15553.73   1355.40  180.139 7.0741  168.691 7.4183  11.44821       10.25059  
1 1 1 -2  60  15 o 162.455 4.9856  14365.20   877.246  14651.99   1266.97  14101.10   1215.84  163.632 7.1487  160.562 6.9914  3.069412       9.999151  
1 1 1 -2  60  16 o 125.658 3.1850  8573.21    433.474  8628.39    625.415  8522.20    601.342  125.887 4.5869  125.132 4.4370  0.7555313      6.381691  
1 1 1 -2  60  17 o 95.728  3.0769  4977.35    319.028  5158.62    470.042  4822.52    434.408  97.298  4.4603  94.100  4.2622  3.197815       6.169322  
1 1 1 -2  60  18 o 165.608 3.5229  14920.33   631.914  15283.85   900.861  14568.20   886.633  167.238 4.9734  163.263 5.0140  3.974365       7.062231  
1 1 1 -2  60  19 o 61.914  3.2690  2091.05    218.439  2317.45    510.835  2040.39    241.647  64.258  7.4798  61.099  3.6685  3.158237       8.330979  
1 1 1 -2  60  20 o 104.090 3.0860  5895.68    347.921  5867.36    725.721  5904.13    396.451  102.787 6.5528  104.090 3.5165  -1.302773      7.436753  
1 1 1 -2  60  21 o 112.232 3.1588  6860.69    383.977  6118.44    787.210  7092.42    439.850  104.614 6.9877  114.023 3.5616  -9.409134      7.843029  
1 1 1 -2  60  22 o 15.263  6.3737  30.737     175.751  -94.7011   424.526  56.683     193.074  21.131  9.3598  16.467  6.7596  4.663654       11.54544  
1 1 1 -2  60  23 f 72.036  2.2427  2821.62    174.980  2958.14    288.207  2741.92    220.210  73.521  3.6193  70.921  2.8668  2.599831       4.617104  
1 1 1 -2  60  24 o 61.647  3.5837  2089.82    238.253  2198.34    440.833  2045.05    283.173  62.117  6.6560  60.770  4.3306  1.347069       7.940782  
1 1 1 -2  60  25 o 36.553  5.9509  768.625    227.494  1115.89    486.250  671.312    257.403  42.073  10.658  33.666  7.2716  8.406124       12.90259  
1 1 1 -2  60  26 o 36.307  5.7934  764.138    220.164  146.817    499.976  912.635    245.219  24.735  10.559  39.707  5.8796  -14.97214      12.08543  
1 1 1 -2  60  27 o 21.904  7.5700  277.129    218.434  260.038    462.572  282.034    247.803  24.882  10.361  22.352  8.0337  2.529839       13.11073  
1 1 1 -2  60  28 o 44.066  6.1460  1156.91    285.350  0.0000     0.0000   1156.91    285.350  ?       ?       44.066  6.1460  0.000000       6.146022  
1 1 1 -2  60  29 o 21.155  8.6968  196.374    320.178  0.0000     0.0000   196.374    320.178  ?       ?       21.155  8.6968  0.000000       8.696767  
1 1 1 -2  60  30 f 19.298  8.5244  55.264     349.770  0.0000     0.0000   55.264     349.770  ?       ?       19.298  8.5244  0.000000       8.524434  
1 1 1 -2  60  31 o 28.417  9.3879  583.800    335.839  0.0000     0.0000   583.800    335.839  ?       ?       28.417  9.3879  0.000000       9.387933  
1 1 1 -2  61  1  o 241.375 6.2607  31631.00   1636.76  32472.69   2317.45  30793.24   2312.01  244.273 8.7592  237.843 8.9749  6.429596       12.54083  
1 1 1 -2  61  2  o 163.833 4.8084  14557.75   853.247  14834.60   1210.23  14284.12   1203.15  165.263 6.7612  162.162 6.8501  3.101608       9.624856  
1 1 1 -2  61  3  o 87.825  2.8084  4179.24    267.144  4052.27    378.629  4305.11    376.973  86.456  4.0434  89.116  3.9056  -2.659683      5.621645  
1 1 1 -2  61  4  o 203.883 3.8871  22534.25   858.382  23021.11   1214.65  22048.54   1213.22  205.972 5.4447  201.566 5.5572  4.406235       7.779888  
1 1 1 -2  61  5  f 191.261 3.7662  19830.14   780.193  20826.67   1105.86  18842.58   1100.87  195.919 5.2114  186.337 5.4547  9.582764       7.544003  
1 1 1 -2  61  6  o 285.871 5.0862  44340.66   1574.84  45393.21   2227.80  43289.30   2226.53  288.982 7.1176  282.181 7.2850  6.801208       10.18491  
1 1 1 -2  61  7  o 266.020 4.8204  38393.10   1388.89  38029.53   1967.28  38754.40   1961.11  264.512 6.8668  267.033 6.7806  -2.521149      9.650327  
1 1 1 -2  61  8  o 185.108 3.7288  18577.32   747.587  18518.07   1061.65  18635.59   1052.90  184.705 5.3068  185.295 5.2463  -0.5899506     7.462281  
1 1 1 -2  61  9  o 257.227 4.6985  35901.43   1309.02  36209.05   1852.87  35594.89   1849.59  258.081 6.6286  255.876 6.6738  2.204819       9.406258  
1 1 1 -2  61  10 o 202.022 3.9360  22135.85   861.245  22169.55   1220.33  22102.41   1215.65  202.021 5.5771  201.717 5.5641  0.3046875      7.878054  
1 1 1 -2  61  11 o 153.593 3.4039  12791.93   566.261  12847.89   808.341  12738.01   793.494  153.828 4.8516  153.174 4.7829  0.6536713      6.812787  
1 1 1 -2  61  12 o 206.111 3.9735  23052.41   887.052  23928.20   1257.31  22184.45   1251.67  209.792 5.5333  201.976 5.7216  7.816010       7.959529  
1 1 1 -2  61  13 o 104.900 4.3798  5976.62    497.617  5689.77    719.318  6239.89    689.126  101.963 6.5480  106.887 5.9765  -4.924706      8.865387  
1 1 1 -2  61  14 o 212.533 5.7937  24614.03   1333.68  25548.56   1904.78  23715.26   1867.97  215.879 8.1464  207.943 8.2938  7.935745       11.62544  
1 1 1 -2  61  15 o 201.733 5.6190  22196.48   1227.73  22710.38   1755.59  21704.60   1717.59  203.327 7.9718  198.771 7.9780  4.555527       11.27826  
1 1 1 -2  61  16 o 78.746  4.5142  3388.00    383.412  3500.87    568.277  3293.69    519.459  79.649  6.6481  77.323  6.2562  2.325142       9.128915  
1 1 1 -2  61  17 o 120.118 4.6753  7870.16    608.262  7450.02    917.025  8200.23    812.799  116.044 7.3338  122.139 6.1640  -6.095383      9.580151  
1 1 1 -2  61  18 o 75.661  2.6947  3108.74    220.826  3121.69    394.805  3102.84    266.393  75.432  4.8582  75.541  3.2559  -0.1090393     5.848308  
1 1 1 -2  61  19 o 35.738  1.5711  692.426    60.815   684.845    416.196  692.591    61.475   34.476  10.331  35.742  1.5880  -1.265171      10.45261  
1 1 1 -2  61  20 o 120.150 3.1335  7857.84    407.785  8332.90    839.486  7711.13    466.522  122.614 6.3430  118.922 3.6219  3.692154       7.304210  
1 1 1 -2  61  21 o 46.449  4.1381  1189.51    206.006  1984.88    475.920  1006.12    228.525  59.083  7.6142  42.489  5.0656  16.59442       9.145298  
1 1 1 -2  61  22 o 47.502  2.3338  1226.74    120.074  1123.42    486.322  1233.45    123.911  43.076  10.515  47.565  2.4131  -4.488575      10.78875  
1 1 1 -2  61  23 o 40.071  5.0457  901.058    214.134  1526.36    476.353  742.700    239.720  50.789  8.9883  35.938  6.3929  14.85152       11.02989  
1 1 1 -2  61  24 o 53.489  2.0242  1555.56    117.270  1076.30    501.961  1583.23    120.607  41.465  10.997  53.959  2.0637  -12.49386      11.18897  
1 1 1 -2  61  25 o 50.434  4.3438  1417.50    234.969  1384.60    519.782  1425.95    263.421  46.906  10.494  50.399  4.8871  -3.493198      11.57579  
1 1 1 -2  61  26 o 19.082  7.2358  168.639    205.791  492.175    475.437  94.048     228.285  29.158  11.012  17.968  7.3600  11.18994       13.24528  
1 1 1 -2  61  27 f 27.222  2.4662  409.508    71.925   1009.39    506.962  397.185    72.660   37.567  11.435  26.791  2.5341  10.77603       11.71249  
1 1 1 -2  61  28 o 14.776  6.7602  -108.4579  242.814  0.0000     0.0000   -108.4579  242.814  ?       ?       14.776  6.7602  0.000000       6.760177  
1 1 1 -2  61  29 o 40.648  7.9824  1069.07    338.890  0.0000     0.0000   1069.07    338.890  ?       ?       40.648  7.9824  0.000000       7.982409  
1 1 1 -2  61  30 o 31.807  9.3160  723.562    341.545  0.0000     0.0000   723.562    341.545  ?       ?       31.807  9.3160  0.000000       9.316041  
1 1 1 -2  62  1  o 157.315 4.7095  13422.24   802.441  13528.08   1137.91  13317.54   1131.77  157.817 6.6571  156.583 6.6733  1.233978       9.426000  
1 1 1 -2  62  2  o 25.609  5.1385  368.535    137.574  467.391    186.549  250.669    203.697  28.794  6.1675  22.063  7.3124  6.730938       9.566063  
1 1 1 -2  62  3  o 144.847 3.2037  11370.20   502.607  11403.15   711.694  11337.41   709.898  145.005 4.5315  144.587 4.5331  0.4186554      6.409626  
1 1 1 -2  62  4  o 266.472 4.7969  38517.16   1384.46  39617.02   1960.13  37422.25   1955.72  270.040 6.7017  262.431 6.8805  7.609222       9.604931  
1 1 1 -2  62  5  o 63.688  2.9282  2198.02    201.989  2143.33    292.916  2247.61    278.909  62.718  4.3387  64.259  4.0277  -1.540665      5.920038  
1 1 1 -2  62  6  o 99.468  2.9771  5361.73    320.738  5173.18    463.244  5535.35    444.520  97.664  4.3793  101.036 4.0621  -3.371399      5.973155  
1 1 1 -2  62  7  o 220.212 4.1784  26298.53   996.596  25460.38   1411.17  27132.49   1407.64  216.510 6.0177  223.529 5.8142  -7.018234      8.367616  
1 1 1 -2  62  8  o 243.064 4.4756  32049.74   1178.27  31738.28   1667.18  32360.56   1665.46  241.668 6.3693  244.034 6.3010  -2.366669      8.959440  
1 1 1 -2  62  9  o 344.520 5.9877  64497.59   2234.30  61893.39   3159.82  67101.67   3159.74  336.871 8.6602  350.855 8.3148  -13.98431      12.00566  
1 1 1 -2  62  10 o 409.282 6.9698  91178.05   3089.69  90150.15   4369.94  92205.52   4369.01  405.908 9.9398  410.557 9.8252  -4.649414      13.97618  
1 1 1 -2  62  11 o 319.799 5.5900  55592.14   1936.23  55655.60   2740.45  55528.88   2736.05  319.382 7.9221  319.019 7.9184  0.3627014      11.20092  
1 1 1 -2  62  12 o 79.218  3.1406  3403.22    269.472  3331.75    398.486  3463.44    365.792  78.172  4.7287  79.758  4.2497  -1.585754      6.357686  
1 1 1 -2  62  13 o 56.279  3.5961  1725.99    218.058  1793.68    326.152  1671.27    293.228  57.170  5.3287  55.219  4.9556  1.950932       7.276874  
1 1 1 -2  62  14 o 45.140  1.9269  1104.28    94.209   968.060    280.802  1121.56    100.005  41.631  6.4351  45.489  2.0297  -3.858807      6.747594  
1 1 1 -2  62  15 o 106.115 4.4969  6128.68    516.845  5999.78    773.940  6232.44    694.375  104.425 6.8813  106.630 6.0371  -2.204865      9.154219  
1 1 1 -2  62  16 o 140.187 4.6983  10713.19   713.372  11110.46   1044.64  10366.04   976.522  142.258 6.7799  137.469 6.5585  4.788315       9.432963  
1 1 1 -2  62  17 o 155.093 4.8713  13134.65   818.295  13653.86   1179.31  12652.56   1136.37  157.471 6.9144  151.585 6.9214  5.886520       9.783424  
1 1 1 -2  62  18 f 109.508 4.4337  6545.35    525.877  7292.27    784.581  5936.07    708.614  114.959 6.3256  103.681 6.3406  11.27795       8.956352  
1 1 1 -2  62  19 o 189.377 3.7939  19554.60   778.187  18648.31   1560.44  19854.59   897.793  182.895 7.8773  190.621 4.3485  -7.726669      8.997820  
1 1 1 -2  62  20 o 131.627 3.2518  9436.39    463.595  9052.70    943.897  9558.37    532.211  127.510 6.8598  132.361 3.7124  -4.851601      7.799906  
1 1 1 -2  62  21 o 53.932  2.0206  1579.27    118.030  1142.98    474.879  1608.00    121.854  43.720  10.213  54.417  2.0674  -10.69712      10.42004  
1 1 1 -2  62  22 o 65.657  3.4699  2362.01    245.881  2476.02    539.921  2332.17    276.182  65.774  7.7261  65.132  3.9334  0.6415100      8.669707  
1 1 1 -2  62  23 o 81.690  3.3039  3648.42    292.320  3810.01    620.806  3602.38    331.354  81.840  7.0731  81.056  3.7743  0.7840424      8.017115  
1 1 1 -2  62  24 o 26.628  7.0438  417.081    206.283  -188.9560  468.438  562.876    229.760  20.930  9.5036  30.928  7.0195  -9.998354      11.81491  
1 1 1 -2  62  25 o 52.989  2.0506  1528.53    117.689  1074.64    518.949  1553.14    120.838  40.661  11.350  53.409  2.0889  -12.74746      11.54095  
1 1 1 -2  62  26 o 56.522  4.2703  1793.06    259.492  1910.10    552.874  1759.99    293.872  54.704  9.6856  55.677  4.9240  -0.9725647     10.86541  
1 1 1 -2  62  27 o 13.444  6.2201  -138.5420  213.779  -622.7225  478.602  -17.8615   238.940  16.966  8.2438  16.050  7.0700  0.9161453      10.86025  
1 1 1 -2  62  28 o 47.279  6.6704  1355.55    332.085  0.0000     0.0000   1355.55    332.085  ?       ?       47.279  6.6704  0.000000       6.670390  
1 1 1 -2  62  29 o 27.274  9.3941  508.044    336.250  0.0000     0.0000   508.044    336.250  ?       ?       27.274  9.3941  0.000000       9.394147  
1 1 1 -2  62  30 o 20.082  8.4638  157.376    314.396  0.0000     0.0000   157.376    314.396  ?       ?       20.082  8.4638  0.000000       8.463839  
1 1 1 -2  63  1  o 257.003 4.6799  35825.30   1302.70  35593.38   1842.53  36057.11   1842.06  255.969 6.6459  257.637 6.6012  -1.667435      9.367219  
1 1 1 -2  63  2  o 269.412 4.8473  39373.23   1414.45  40787.78   2000.89  37960.23   1999.80  273.994 6.7423  264.295 6.9860  9.699158       9.708913  
1 1 1 -2  63  3  o 90.805  2.8655  4468.07    281.823  4402.99    395.723  4535.05    401.453  90.114  4.0544  91.456  4.0528  -1.341515      5.732649  
1 1 1 -2  63  4  f 295.700 5.2003  47448.88   1665.51  46299.36   2356.84  48595.55   2353.93  291.782 7.4576  298.961 7.2696  -7.178894      10.41455  
1 1 1 -2  63  5  o 358.728 6.1907  69897.54   2405.35  69862.66   3402.96  69932.38   3400.39  358.103 8.7736  358.284 8.7626  -0.1812744     12.39996  
1 1 1 -2  63  6  o 50.532  3.5433  1391.05    192.702  1741.97    290.463  1115.17    257.542  56.461  4.7952  45.007  5.3905  11.45420       7.214655  
1 1 1 -2  63  7  o 325.580 5.6807  57563.04   2003.23  57280.80   2833.35  57845.13   2832.65  324.331 8.0657  325.934 8.0240  -1.602936      11.37718  
1 1 1 -2  63  8  o 200.009 3.8944  21694.49   843.654  21655.45   1196.76  21733.06   1189.49  199.685 5.5334  200.047 5.4898  -0.3619690     7.794630  
1 1 1 -2  63  9  o 165.244 3.4819  14805.52   623.174  14396.69   882.329  15212.46   880.278  162.840 5.0026  167.402 4.8550  -4.562286      6.971182  
1 1 1 -2  63  10 o 157.281 3.4104  13414.26   580.964  13236.97   820.617  13592.40   822.600  156.132 4.8526  158.219 4.8002  -2.086868      6.825694  
1 1 1 -2  63  11 o 248.110 4.5239  33426.75   1215.71  32635.51   1722.22  34212.63   1716.36  244.808 6.4952  250.690 6.3212  -5.881897      9.063389  
1 1 1 -2  63  12 o 130.717 3.1992  9268.15    452.938  9488.35    656.749  9068.41    625.496  132.150 4.5884  129.203 4.4697  2.946686       6.405633  
1 1 1 -2  63  13 o 123.717 3.1344  8304.01    420.002  7949.33    598.180  8648.89    589.854  120.922 4.5673  126.157 4.3168  -5.234489      6.284485  
1 1 1 -2  63  14 o 49.953  3.8436  1363.77    206.361  1227.21    311.653  1470.38    275.380  46.992  6.2803  51.729  4.9765  -4.737167      8.012980  
1 1 1 -2  63  15 o 108.039 3.0666  6337.35    358.851  5725.27    535.808  6835.21    483.238  102.498 4.8264  112.106 3.9798  -9.607941      6.255649  
1 1 1 -2  63  16 o 106.268 4.4351  6153.99    510.472  6931.56    773.770  5554.77    679.261  112.231 6.3919  100.461 6.2741  11.77030       8.956554  
1 1 1 -2  63  17 o 222.146 6.0152  27079.62   1447.31  28063.54   2071.59  26141.42   2022.88  224.675 8.5129  216.776 8.6157  7.898758       12.11197  
1 1 1 -2  63  18 o 134.091 4.7803  9831.30    694.264  9818.13    1040.01  9841.88    932.452  132.994 7.2473  133.642 6.4419  -0.6486206     9.696446  
1 1 1 -2  63  19 o 47.083  7.9971  1269.41    393.234  0.0000     0.0000   1269.41    393.234  ?       ?       47.083  7.9971  0.000000       7.997139  
1 1 1 -2  63  20 o 58.800  4.8954  1910.18    308.938  0.0000     0.0000   1910.18    308.938  ?       ?       58.800  4.8954  0.000000       4.895416  
1 1 1 -2  63  21 o 48.919  4.0119  1318.28    210.697  1548.31    466.940  1259.47    236.099  51.604  8.6611  47.673  4.6309  3.931194       9.821461  
1 1 1 -2  63  22 o 61.150  3.5887  2052.05    236.646  2303.62    525.472  1988.05    265.046  63.325  7.8281  60.065  4.0986  3.259968       8.836107  
1 1 1 -2  63  23 o 21.794  7.1837  260.750    196.690  693.847    448.921  157.859    218.810  33.952  10.827  19.466  7.4420  14.48655       13.13817  
1 1 1 -2  63  24 o 33.043  6.5607  636.909    226.516  140.065    476.105  782.277    257.530  24.781  10.428  36.646  6.7366  -11.86486      12.41493  
1 1 1 -2  63  25 o 57.374  4.0556  1830.49    250.399  1352.14    549.856  1955.64    281.255  45.475  11.230  59.169  4.4206  -13.69425      12.06905  
1 1 1 -2  63  26 o 31.474  2.0816  543.058    70.560   315.135    504.023  547.614    71.262   26.359  10.882  31.604  2.0937  -5.245459      11.08179  
1 1 1 -2  63  27 o 38.226  6.2328  872.544    249.159  819.517    518.094  888.497    284.180  33.800  11.660  38.043  7.1595  -4.243046      13.68245  
1 1 1 -2  63  28 o 17.155  7.6419  -25.1671   286.962  0.0000     0.0000   -25.1671   286.962  ?       ?       17.155  7.6419  0.000000       7.641886  
1 1 1 -2  63  29 o 27.130  8.9803  500.681    307.254  0.0000     0.0000   500.681    307.254  ?       ?       27.130  8.9803  0.000000       8.980315  
1 1 1 -2  63  30 o 28.889  9.0198  586.017    313.069  0.0000     0.0000   586.017    313.069  ?       ?       28.889  9.0198  0.000000       9.019815  
1 1 1 -2  64  1  o 260.207 4.6607  36726.90   1313.54  38468.69   1859.19  34990.95   1856.07  266.107 6.4506  253.756 6.7532  12.35144       9.338908  
1 1 1 -2  64  2  o 331.684 5.7634  59728.16   2070.49  61227.53   2929.97  58232.58   2926.26  335.418 8.0650  327.072 8.2604  8.345642       11.54463  
1 1 1 -2  64  3  o 271.318 4.8763  39938.33   1432.97  40283.86   2026.91  39593.06   2026.14  272.245 6.8739  269.892 6.9312  2.352478       9.761790  
1 1 1 -2  64  4  o 79.425  2.8132  3418.39    242.010  3510.38    350.453  3334.53    334.605  80.460  4.0214  78.321  3.9572  2.139236       5.641940  
1 1 1 -2  64  5  o 240.312 4.3928  31323.29   1143.37  31850.66   1619.13  30798.72   1614.81  242.143 6.1736  238.100 6.2617  4.042755       8.793303  
1 1 1 -2  64  6  o 240.887 4.4369  31477.36   1157.61  31747.93   1640.55  31209.04   1633.69  241.719 6.2663  239.655 6.2938  2.063766       8.881340  
1 1 1 -2  64  7  o 244.941 4.5197  32552.28   1199.06  32529.86   1697.83  32574.59   1693.63  244.624 6.4080  244.795 6.3877  -0.1710510     9.047980  
1 1 1 -2  64  8  o 187.444 3.7570  19054.32   762.753  19049.48   1082.95  19059.09   1074.49  187.286 5.3387  187.338 5.2955  -0.5149841E-01 7.519541  
1 1 1 -2  64  9  o 102.589 3.0015  5705.25    333.513  5596.24    480.320  5806.74    463.448  101.548 4.3671  103.451 4.1361  -1.903450      6.014879  
1 1 1 -2  64  10 o 53.886  3.4791  1581.41    201.967  1549.82    283.222  1614.09    288.088  53.183  4.9746  54.287  4.9542  -1.103680      7.020704  
1 1 1 -2  64  11 o 108.890 3.0538  6429.90    360.160  6399.96    518.126  6457.88    500.992  108.557 4.4066  109.058 4.2413  -0.5013504     6.116164  
1 1 1 -2  64  12 o 80.134  3.0366  3483.06    263.556  3582.40    380.709  3391.64    365.222  81.085  4.3508  78.897  4.2900  2.188087       6.110151  
1 1 1 -2  64  13 o 148.258 3.4307  11932.17   550.900  12239.80   766.994  11604.34   791.776  149.997 4.7211  146.010 5.0067  3.986740       6.881502  
1 1 1 -2  64  14 o 181.833 3.7090  17965.91   730.457  17858.71   1039.46  18070.50   1026.70  180.972 5.3031  182.065 5.2065  -1.092484      7.431716  
1 1 1 -2  64  15 o 11.897  5.4585  -115.2427  159.823  -148.3646  245.466  -90.8680   210.573  15.083  6.8606  14.534  6.5049  0.5489550      9.454168  
1 1 1 -2  64  16 o 86.615  2.8317  4073.88    265.654  3641.98    428.790  4342.92    338.428  81.536  4.8778  89.366  3.4964  -7.829941      6.001449  
1 1 1 -2  64  17 o ?       ?       -160.5241  21.118   209.603    243.758  -163.3233  21.198   21.608  7.9379  ?       ?       0.000000       7.937889  
1 1 1 -2  64  18 o 112.978 4.5233  6975.82    553.499  6980.37    820.090  6972.02    750.114  112.188 6.7809  112.341 6.1887  -0.1527328     9.180441  
1 1 1 -2  64  19 o 129.096 6.3958  9214.04    894.286  0.0000     0.0000   9214.04    894.286  ?       ?       129.096 6.3958  0.000000       6.395794  
1 1 1 -2  64  20 o 19.947  7.4670  172.059    217.588  0.0000     0.0000   172.059    217.588  ?       ?       19.947  7.4670  0.000000       7.466965  
1 1 1 -2  64  21 o 31.221  7.0515  566.485    232.815  0.0000     0.0000   566.485    232.815  ?       ?       31.221  7.0515  0.000000       7.051485  
1 1 1 -2  64  22 f 19.453  7.4525  154.248    219.707  0.0000     0.0000   154.248    219.707  ?       ?       19.453  7.4525  0.000000       7.452466  
1 1 1 -2  64  23 o 43.606  5.3128  1070.85    245.737  0.0000     0.0000   1070.85    245.737  ?       ?       43.606  5.3128  0.000000       5.312786  
1 1 1 -2  64  24 o 58.514  4.0471  1896.38    254.916  1126.59    542.900  2114.10    288.724  41.830  11.585  61.693  4.3488  -19.86216      12.37475  
1 1 1 -2  64  25 f 103.825 3.2998  5931.37    371.072  5573.69    770.292  6039.46    423.443  97.432  7.3535  104.532 3.7400  -7.100533      8.249990  
1 1 1 -2  64  26 o 39.778  5.7024  925.186    238.654  882.633    513.713  936.897    269.501  35.381  11.607  39.612  6.5075  -4.231640      13.30687  
1 1 1 -2  64  27 o 15.084  6.6605  -24.0576   213.332  63.559     476.613  -46.0092   238.564  22.452  9.9325  15.568  6.9487  6.884023       12.12184  
1 1 1 -2  64  28 o 30.783  9.3332  649.124    338.211  0.0000     0.0000   649.124    338.211  ?       ?       30.783  9.3332  0.000000       9.333242  
1 1 1 -2  64  29 o 31.414  8.9107  681.395    317.181  0.0000     0.0000   681.395    317.181  ?       ?       31.414  8.9107  0.000000       8.910669  
1 1 1 -2  64  30 o 29.723  9.0453  621.868    317.237  0.0000     0.0000   621.868    317.237  ?       ?       29.723  9.0453  0.000000       9.045296  
1 1 1 -2  65  1  o 453.732 7.6682  112000.70  3768.44  110747.70  5330.26  113252.90  5328.50  450.130 10.933  455.241 10.807  -5.110931      15.37256  
1 1 1 -2  65  2  o 327.128 5.7259  58102.00   2028.77  57171.78   2869.91  59031.19   2868.33  324.067 8.1764  329.323 8.0415  -5.255798      11.46817  
1 1 1 -2  65  3  o 201.675 3.8989  22053.27   851.666  21966.21   1205.73  22139.95   1203.15  201.153 5.5342  201.950 5.5006  -0.7969208     7.802769  
1 1 1 -2  65  4  o 247.826 4.5253  33317.12   1214.69  34090.25   1720.26  32548.34   1715.41  250.482 6.3409  244.734 6.4715  5.747025       9.060159  
1 1 1 -2  65  5  o 171.122 3.5196  15875.24   652.324  16755.53   926.214  15008.83   918.881  175.716 4.8667  166.288 5.1019  9.427811       7.050768  
1 1 1 -2  65  6  o 130.533 3.1659  9236.09    447.597  9160.99    644.845  9305.91    621.781  129.936 4.5820  130.970 4.3832  -1.034515      6.340949  
1 1 1 -2  65  7  o 158.762 3.4081  13665.74   586.044  14176.32   832.853  13165.01   824.787  161.613 4.7580  155.732 4.8898  5.881012       6.822675  
1 1 1 -2  65  8  o 143.194 3.2526  11117.05   504.457  10879.43   716.094  11351.15   710.756  141.570 4.6701  144.616 4.5377  -3.046127      6.511590  
1 1 1 -2  65  9  o 137.221 3.2140  10210.00   477.680  10175.75   681.217  10243.13   670.005  136.901 4.5942  137.361 4.5034  -0.4593811     6.433309  
1 1 1 -2  65  10 o 116.790 3.0655  7396.32    387.777  7376.08    555.055  7415.62    541.979  116.550 4.3970  116.870 4.2816  -0.3200607     6.137223  
1 1 1 -2  65  11 f 173.982 3.5966  16427.01   677.753  16363.38   962.787  16489.52   954.247  173.458 5.1247  174.134 5.0595  -0.6766357     7.201429  
1 1 1 -2  65  12 o 108.274 2.9920  6359.44    350.878  6255.41    516.786  6448.41    477.923  107.275 4.4478  108.952 4.0500  -1.676895      6.015384  
1 1 1 -2  65  13 o 68.775  3.1652  2567.31    235.776  2763.79    343.026  2391.36    324.612  71.139  4.4747  66.141  4.5591  4.997971       6.388179  
1 1 1 -2  65  14 f 54.366  3.6539  1613.56    213.904  1460.49    321.557  1735.06    286.484  51.367  5.8859  56.236  4.7478  -4.869274      7.562166  
1 1 1 -2  65  15 o 111.355 3.1020  6735.31    374.123  6755.12    541.282  6717.19    517.687  111.337 4.4886  111.052 4.3040  0.2850723      6.218710  
1 1 1 -2  65  16 o 196.965 3.9269  21124.72   837.744  20967.32   1194.34  21277.17   1175.38  195.665 5.6357  197.156 5.5043  -1.491150      7.877656  
1 1 1 -2  65  17 o 75.024  3.2203  3061.00    261.678  3220.15    392.751  2933.96    350.912  76.617  4.7564  73.180  4.4484  3.436874       6.512383  
1 1 1 -2  65  18 o 84.686  3.2457  3903.25    297.704  3893.83    455.712  3910.26    393.203  84.148  5.0230  84.495  4.3109  -0.3465576     6.619194  
1 1 1 -2  65  19 o 87.291  3.6890  4156.54    348.783  4461.23    607.832  4006.97    425.872  89.608  6.3029  85.411  4.6208  4.197792       7.815228  
1 1 1 -2  65  20 o 32.255  7.5183  605.348    257.806  0.0000     0.0000   605.348    257.806  ?       ?       32.255  7.5183  0.000000       7.518317  
1 1 1 -2  65  21 o 49.412  5.1369  1361.23    270.902  0.0000     0.0000   1361.23    270.902  ?       ?       49.412  5.1369  0.000000       5.136892  
1 1 1 -2  65  22 o 68.055  4.4743  2561.09    327.968  0.0000     0.0000   2561.09    327.968  ?       ?       68.055  4.4743  0.000000       4.474328  
1 1 1 -2  65  23 o 48.573  7.1184  1362.75    363.387  0.0000     0.0000   1362.75    363.387  ?       ?       48.573  7.1184  0.000000       7.118418  
1 1 1 -2  65  24 o 105.025 4.7191  6130.50    536.810  0.0000     0.0000   6130.50    536.810  ?       ?       105.025 4.7191  0.000000       4.719086  
1 1 1 -2  65  25 o 40.297  1.7740  883.822    77.426   0.0000     0.0000   883.822    77.426   ?       ?       40.297  1.7740  0.000000       1.773975  
1 1 1 -2  65  26 o 23.674  7.4984  339.999    215.599  1103.80    489.169  155.853    240.187  39.861  10.980  19.341  7.6798  20.52060       13.39934  
1 1 1 -2  65  27 o 39.096  6.5406  924.483    267.179  0.0000     0.0000   924.483    267.179  ?       ?       39.096  6.5406  0.000000       6.540604  
1 1 1 -2  65  28 o 26.658  8.9823  470.475    307.186  0.0000     0.0000   470.475    307.186  ?       ?       26.658  8.9823  0.000000       8.982256  
1 1 1 -2  65  29 o 13.750  6.6888  -431.7025  317.555  0.0000     0.0000   -431.7025  317.555  ?       ?       13.750  6.6888  0.000000       6.688824  
1 1 1 -2  66  1  o 85.060  2.8365  3920.87    261.328  3796.38    367.284  4048.52    371.908  83.670  4.0529  86.406  3.9739  -2.736115      5.676068  
1 1 1 -2  66  2  o 155.906 3.3500  13175.73   565.697  13057.97   798.701  13294.27   801.339  155.133 4.7534  156.533 4.7265  -1.399048      6.703370  
1 1 1 -2  66  3  o 74.607  2.9386  3016.60    237.462  3106.60    344.889  2935.49    327.433  75.563  4.2311  73.454  4.1324  2.109245       5.914296  
1 1 1 -2  66  4  f 272.182 4.9084  40206.85   1447.01  40931.19   2048.69  39485.78   2044.07  274.335 6.8949  269.429 7.0046  4.905762       9.828704  
1 1 1 -2  66  5  o 118.086 3.0054  7557.98    384.385  7698.34    548.608  7422.63    538.733  119.127 4.2519  116.974 4.2522  2.152618       6.013297  
1 1 1 -2  66  6  o 62.361  3.1598  2113.57    212.731  1954.42    308.555  2257.76    293.689  59.814  4.8033  64.372  4.2360  -4.557938      6.404307  
1 1 1 -2  66  7  o 13.894  5.8740  6.0282     152.183  66.283     240.348  -34.2947   196.617  18.521  7.5651  14.978  6.5090  3.542713       9.979899  
1 1 1 -2  66  8  o 208.194 4.0210  23518.72   906.730  23780.91   1286.86  23260.21   1277.81  209.151 5.6807  206.845 5.7036  2.305618       8.049929  
1 1 1 -2  66  9  o 274.425 4.9185  40915.95   1461.93  41434.08   2069.66  40399.98   2065.31  275.719 6.9304  272.238 7.0043  3.481018       9.853513  
1 1 1 -2  66  10 o 277.397 4.9682  41831.02   1492.68  43199.73   2113.26  40468.23   2108.68  281.391 6.9338  272.286 7.1502  9.105072       9.960060  
1 1 1 -2  66  11 f 145.996 3.3028  11565.62   522.266  10989.69   743.586  12126.33   733.705  142.157 4.8294  149.365 4.5353  -7.207291      6.625088  
1 1 1 -2  66  12 o 124.472 3.1204  8407.48    420.676  8239.12    599.702  8570.58    590.262  123.084 4.4985  125.554 4.3406  -2.469749      6.251125  
1 1 1 -2  66  13 o 128.295 3.1692  8935.86    440.379  8789.42    634.212  9072.21    611.965  127.065 4.6083  129.126 4.3757  -2.061035      6.354723  
1 1 1 -2  66  14 o 235.977 4.4044  30325.64   1125.71  30264.17   1594.44  30386.74   1589.57  235.068 6.2624  235.557 6.2304  -0.4890594     8.833767  
1 1 1 -2  66  15 o 142.000 3.2992  10959.25   507.423  11002.00   727.116  10918.67   708.458  142.008 4.7274  141.492 4.6229  0.5160217      6.612041  
1 1 1 -2  66  16 o 150.625 3.3790  12338.75   551.265  12465.14   789.813  12218.69   769.786  151.062 4.8272  149.582 4.7514  1.480804       6.773324  
1 1 1 -2  66  17 o 46.664  4.2484  1197.97    212.368  1061.39    343.080  1282.81    270.399  43.141  7.6211  48.105  5.2764  -4.963966      9.269405  
1 1 1 -2  66  18 o 62.933  3.6777  2166.31    249.592  2243.50    367.886  2100.47    339.745  63.696  5.3829  61.677  5.1324  2.019020       7.437531  
1 1 1 -2  66  19 o 28.714  7.3082  477.188    227.864  284.950    403.349  567.298    276.152  26.228  10.086  31.220  8.0979  -4.991531      12.93456  
1 1 1 -2  66  20 o 80.332  2.7033  3511.46    235.210  3266.30    573.072  3561.12    257.937  76.150  7.0274  80.862  2.9451  -4.712135      7.619605  
1 1 1 -2  66  21 o 44.732  4.3179  1108.58    206.597  1365.50    447.405  1038.95    232.916  48.148  8.9074  43.100  5.0875  5.047516       10.25785  
1 1 1 -2  66  22 o 81.503  4.2946  3664.85    377.776  0.0000     0.0000   3664.85    377.776  ?       ?       81.503  4.2946  0.000000       4.294639  
1 1 1 -2  66  23 o 33.499  8.0406  670.761    288.033  0.0000     0.0000   670.761    288.033  ?       ?       33.499  8.0406  0.000000       8.040604  
1 1 1 -2  66  24 o 52.701  5.8746  1587.24    329.620  0.0000     0.0000   1587.24    329.620  ?       ?       52.701  5.8746  0.000000       5.874565  
1 1 1 -2  66  25 o 18.171  7.7152  56.421     264.365  0.0000     0.0000   56.421     264.365  ?       ?       18.171  7.7152  0.000000       7.715229  
1 1 1 -2  66  26 f 30.113  8.4184  580.134    285.251  0.0000     0.0000   580.134    285.251  ?       ?       30.113  8.4184  0.000000       8.418361  
1 1 1 -2  66  27 o 26.289  8.6056  442.683    282.436  0.0000     0.0000   442.683    282.436  ?       ?       26.289  8.6056  0.000000       8.605597  
1 1 1 -2  66  28 o 43.085  7.9095  1191.92    355.501  0.0000     0.0000   1191.92    355.501  ?       ?       43.085  7.9095  0.000000       7.909471  
1 1 1 -2  66  29 o 25.229  8.9966  421.559    310.188  0.0000     0.0000   421.559    310.188  ?       ?       25.229  8.9966  0.000000       8.996624  
1 1 1 -2  67  1  o 236.003 4.3670  30214.74   1116.26  31268.67   1579.19  29162.29   1578.07  239.891 6.0778  231.643 6.2898  8.248077       8.746549  
1 1 1 -2  67  2  o 98.025  2.8800  5207.64    305.773  5211.17    429.452  5204.02    435.466  98.022  4.0450  97.953  4.1046  0.6947327E-01  5.762788  
1 1 1 -2  67  3  o 286.553 5.1015  44576.26   1583.33  45052.60   2239.54  44100.24   2238.79  287.738 7.1861  284.666 7.2612  3.071808       10.21591  
1 1 1 -2  67  4  o 14.548  5.7305  63.882     132.741  -43.9263   208.914  136.874    171.901  15.309  6.6804  18.007  6.6573  -2.697534      9.431169  
1 1 1 -2  67  5  o 188.957 3.7412  19363.56   765.680  19871.45   1086.00  18861.55   1079.70  191.288 5.2417  186.353 5.3493  4.934937       7.489356  
1 1 1 -2  67  6  o 82.680  2.9283  3705.49    262.231  3650.09    377.909  3756.94    364.172  81.905  4.2748  83.217  4.0404  -1.311661      5.882081  
1 1 1 -2  67  7  o 139.708 3.2301  10583.40   488.772  10341.13   700.804  10812.87   682.036  138.005 4.6885  141.135 4.4617  -3.130005      6.472134  
1 1 1 -2  67  8  o 243.977 4.4990  32321.82   1188.87  32364.80   1683.00  32279.01   1679.65  243.813 6.3732  243.490 6.3689  0.3225098      9.010044  
1 1 1 -2  67  9  o 346.953 6.0341  65546.42   2267.54  64330.74   3207.32  66761.30   3206.24  342.744 8.6398  349.231 8.4764  -6.487244      12.10354  
1 1 1 -2  67  10 o 78.058  2.5926  3303.49    219.189  3361.93    356.560  3267.99    277.898  78.560  4.2057  77.609  3.3060  0.9507523      5.349539  
1 1 1 -2  67  11 o 107.288 2.9837  6244.60    346.717  6158.53    491.141  6330.11    489.526  106.449 4.2599  107.928 4.1877  -1.479126      5.973507  
1 1 1 -2  67  12 o 254.477 4.6427  35245.28   1279.65  35300.71   1811.42  35190.05   1807.99  254.040 6.5834  253.642 6.5812  0.3976746      9.308743  
1 1 1 -2  67  13 f 261.214 4.6841  37170.80   1325.22  39004.80   1878.92  35355.33   1869.41  266.853 6.5008  253.928 6.7971  12.92422       9.405363  
1 1 1 -2  67  14 o 59.556  3.4973  1934.67    224.602  1978.96    338.031  1899.66    300.535  59.971  5.2572  58.833  4.7570  1.137619       7.089908  
1 1 1 -2  67  15 o 65.137  3.3419  2312.62    234.975  2374.62    350.865  2262.20    316.409  65.755  4.9631  64.239  4.5775  1.516060       6.751723  
1 1 1 -2  67  16 o 98.520  2.9202  5274.12    311.610  5355.50    467.949  5209.29    417.688  99.073  4.3609  97.778  3.9440  1.295494       5.879843  
1 1 1 -2  67  17 o 141.690 3.3584  10928.27   515.403  11179.89   724.305  10670.17   733.564  142.968 4.6775  139.618 4.8509  3.349365       6.738735  
1 1 1 -2  67  18 o 72.320  2.7316  2843.19    213.963  2767.73    442.393  2866.24    244.455  70.649  5.8336  72.571  3.1100  -1.922340      6.610836  
1 1 1 -2  67  19 o 59.638  4.3360  1957.46    278.164  1742.79    484.378  2063.09    339.777  55.047  8.3895  61.028  5.1897  -5.981007      9.864946  
1 1 1 -2  67  20 o 47.723  4.2414  1258.15    216.952  1733.46    451.981  1115.85    247.304  54.954  7.8136  44.692  5.2066  10.26280       9.389438  
1 1 1 -2  67  21 o 92.949  3.1461  4715.52    316.728  4655.16    652.205  4734.15    362.321  90.905  6.6706  93.022  3.5962  -2.116318      7.578231  
1 1 1 -2  67  22 o 21.032  7.1463  235.888    194.458  345.411    413.046  204.700    220.412  27.008  10.249  20.667  7.5549  6.340500       12.73237  
1 1 1 -2  67  23 o 60.656  4.1328  2037.79    269.893  1999.71    505.254  2053.00    319.258  58.237  8.2402  60.610  4.9053  -2.373554      9.589716  
1 1 1 -2  67  24 o 67.767  4.1887  2557.56    305.935  2490.97    556.632  2586.38    366.206  64.499  8.1498  67.742  5.0269  -3.243027      9.575414  
1 1 1 -2  67  25 o 24.704  8.7926  356.018    296.141  0.0000     0.0000   356.018    296.141  ?       ?       24.704  8.7926  0.000000       8.792567  
1 1 1 -2  67  26 o 52.578  5.8727  1618.61    328.722  0.0000     0.0000   1618.61    328.722  ?       ?       52.578  5.8727  0.000000       5.872697  
1 1 1 -2  67  27 o 44.267  6.8014  1195.44    315.665  0.0000     0.0000   1195.44    315.665  ?       ?       44.267  6.8014  0.000000       6.801366  
1 1 1 -2  67  28 o 18.839  8.1290  76.082     302.352  0.0000     0.0000   76.082     302.352  ?       ?       18.839  8.1290  0.000000       8.129026  
1 1 1 -2  67  29 o 33.773  8.7560  780.870    322.962  0.0000     0.0000   780.870    322.962  ?       ?       33.773  8.7560  0.000000       8.756048  
1 1 1 -2  68  1  o 125.466 3.0471  8532.61    414.076  8540.77    588.675  8524.63    582.555  125.468 4.3318  125.352 4.2908  0.1164856      6.097183  
1 1 1 -2  68  2  o 86.071  2.8136  4015.04    262.294  3949.78    371.082  4080.21    370.797  85.334  4.0149  86.734  3.9471  -1.399849      5.630205  
1 1 1 -2  68  3  o 165.224 3.4623  14801.78   619.591  14388.72   878.228  15211.11   874.252  162.796 4.9807  167.397 4.8219  -4.600876      6.932407  
1 1 1 -2  68  4  o 180.024 3.6457  17575.61   710.853  18009.78   1007.77  17145.67   1002.85  182.110 5.1092  177.678 5.2111  4.432373       7.297945  
1 1 1 -2  68  5  f 105.972 2.9293  6087.53    336.216  6119.08    478.226  6056.68    472.783  106.195 4.1578  105.653 4.1315  0.5415726      5.861443  
1 1 1 -2  68  6  o 171.201 3.5687  15897.26   661.733  15659.92   936.777  16133.64   934.888  169.783 5.0941  172.341 5.0084  -2.557861      7.143845  
1 1 1 -2  68  7  o 110.704 3.0093  6644.83    360.826  6328.27    516.522  6946.56    504.269  107.960 4.4173  113.130 4.1154  -5.170296      6.037303  
1 1 1 -2  68  8  o 146.669 3.2737  11668.26   520.059  11873.93   739.046  11466.52   731.953  147.840 4.6154  145.278 4.6517  2.562073       6.552876  
1 1 1 -2  68  9  o 70.765  3.0594  2716.12    234.487  2741.53    344.322  2694.16    320.219  70.888  4.5080  70.302  4.2250  0.5857773      6.178405  
1 1 1 -2  68  10 o 88.008  2.9174  4201.34    278.095  4313.89    396.804  4092.69    389.859  89.109  4.1114  86.792  4.1472  2.317017       5.839759  
1 1 1 -2  68  11 o 84.624  2.9889  3885.78    273.956  3625.75    396.977  4122.21    378.545  81.518  4.5138  87.092  4.0130  -5.573891      6.039717  
1 1 1 -2  68  12 o 47.925  3.8167  1256.27    196.471  1302.01    299.827  1221.86    260.095  48.485  5.8261  47.059  5.1892  1.425743       7.802040  
1 1 1 -2  68  13 o 167.225 3.5638  15199.87   645.488  14556.22   919.913  15824.15   905.963  163.308 5.2008  170.344 4.9104  -7.036057      7.152606  
1 1 1 -2  68  14 o 129.574 3.2055  9122.96    449.862  9097.52    653.843  9145.82    619.915  129.148 4.6743  129.540 4.4183  -0.3915558     6.431983  
1 1 1 -2  68  15 o 69.346  3.2718  2614.44    245.741  2464.92    365.521  2737.76    331.958  66.964  5.0774  70.726  4.3546  -3.761566      6.689045  
1 1 1 -2  68  16 o 70.329  3.2732  2690.62    249.329  2604.62    370.698  2761.67    336.925  68.813  5.0080  70.989  4.4037  -2.176208      6.668818  
1 1 1 -2  68  17 o 48.263  4.2215  1281.56    218.456  1020.10    353.594  1442.96    277.819  42.113  8.0454  51.063  5.0912  -8.949066      9.520915  
1 1 1 -2  68  18 f 105.305 3.1963  6038.24    364.557  6127.83    526.665  5955.81    505.131  105.777 4.5970  104.313 4.4709  1.463692       6.412569  
1 1 1 -2  68  19 o 81.474  3.3467  3619.79    295.332  3685.91    433.359  3562.46    403.557  81.748  4.9173  80.439  4.6518  1.308563       6.768988  
1 1 1 -2  68  20 o 58.617  3.5988  1884.87    227.379  2149.55    485.369  1810.45    257.367  61.399  7.4513  57.317  4.1744  4.082668       8.540913  
1 1 1 -2  68  21 o 33.386  1.4495  604.680    52.416   719.263    416.035  602.831    52.837   34.559  10.323  33.334  1.4634  1.224670       10.42644  
1 1 1 -2  68  22 o 114.005 3.2148  7105.89    396.959  6734.03    801.087  7226.91    457.013  109.004 6.8196  114.804 3.6754  -5.800400      7.746919  
1 1 1 -2  68  23 o 71.029  2.7352  2755.71    210.428  2765.31    551.711  2754.07    227.635  68.932  7.5112  70.956  2.9620  -2.024040      8.074083  
1 1 1 -2  68  24 o 48.396  4.5746  1319.81    236.947  755.944    476.191  1505.36    273.165  33.949  11.177  51.545  4.9540  -17.59564      12.22571  
1 1 1 -2  68  25 o 21.131  1.7468  244.830    39.620   130.124    447.360  245.737    39.776   23.076  9.9227  21.170  1.7504  1.906509       10.07593  
1 1 1 -2  68  26 o 18.236  7.2565  135.624    214.856  -363.6454  480.437  260.440    240.216  18.690  8.8596  21.630  7.8900  -2.939455      11.86357  
1 1 1 -2  68  27 o 18.853  8.0960  73.800     297.101  0.0000     0.0000   73.800     297.101  ?       ?       18.853  8.0960  0.000000       8.095984  
1 1 1 -2  68  28 o 35.378  8.7104  845.718    331.542  0.0000     0.0000   845.718    331.542  ?       ?       35.378  8.7104  0.000000       8.710428  
1 1 1 -2  69  1  o 121.795 2.9912  8041.00    394.585  8058.78    560.570  8023.54    555.519  121.870 4.2468  121.605 4.2177  0.2651672      5.985356  
1 1 1 -2  69  2  o 115.103 3.0003  7181.92    374.044  7004.07    528.615  7360.26    529.343  113.611 4.2958  116.469 4.1962  -2.858398      6.005191  
1 1 1 -2  69  3  o 48.715  3.3814  1293.02    177.310  1476.45    245.584  1093.28    256.266  51.973  4.4041  44.531  5.4253  7.441376       6.987855  
1 1 1 -2  69  4  o 72.744  2.8954  2868.54    228.128  2846.87    332.811  2887.75    313.315  72.302  4.2688  72.847  3.9861  -0.5451508     5.840561  
1 1 1 -2  69  5  o 156.423 3.3662  13269.43   570.305  13063.50   808.040  13473.84   805.035  155.091 4.8103  157.516 4.7187  -2.425461      6.738345  
1 1 1 -2  69  6  o 208.896 4.0059  23683.18   906.361  23959.39   1282.92  23407.94   1280.66  209.888 5.6434  207.450 5.6997  2.438370       8.020870  
1 1 1 -2  69  7  o 262.997 4.7618  37584.05   1356.41  38815.46   1920.98  36359.62   1915.53  266.846 6.6465  258.214 6.8492  8.631714       9.543931  
1 1 1 -2  69  8  o 112.777 2.9945  6898.01    365.782  6801.44    522.178  6991.06    512.545  111.896 4.3086  113.456 4.1709  -1.559982      5.996686  
1 1 1 -2  69  9  o 79.912  2.9357  3463.76    254.093  3410.09    364.173  3514.67    354.697  79.106  4.2661  80.334  4.0901  -1.227188      5.910031  
1 1 1 -2  69  10 o 124.319 3.1151  8386.98    419.457  8328.85    604.634  8440.91    582.395  123.749 4.5111  124.601 4.3154  -0.8523636     6.242818  
1 1 1 -2  69  11 f 64.686  3.1050  2271.28    217.544  2425.79    322.041  2141.59    295.036  66.617  4.4895  62.589  4.3798  4.027802       6.271959  
1 1 1 -2  69  12 o 144.764 3.2598  11382.33   511.119  11735.05   727.159  11037.88   718.580  146.783 4.5739  142.340 4.6610  4.442520       6.530329  
1 1 1 -2  69  13 o 12.367  5.5676  -78.2808   156.775  -150.2603  250.226  -31.7666   201.151  15.233  6.9279  15.140  6.5816  0.9224415E-01  9.555849  
1 1 1 -2  69  14 o 63.894  2.5109  2215.64    173.764  2350.40    331.011  2164.38    204.155  65.467  4.6994  63.123  2.9861  2.344883       5.567910  
1 1 1 -2  69  15 o 205.081 4.0020  22918.19   888.938  22743.30   1260.21  23091.39   1254.10  203.645 5.7135  205.230 5.6419  -1.584457      8.029606  
1 1 1 -2  69  16 o 142.599 3.2686  11064.61   504.835  10740.04   718.551  11381.00   709.425  140.128 4.7344  144.307 4.5389  -4.178482      6.558630  
1 1 1 -2  69  17 o 52.041  4.1071  1487.85    229.619  1406.26    337.805  1557.94    313.064  50.080  6.3721  52.960  5.5398  -2.880001      8.443483  
1 1 1 -2  69  18 o 59.349  3.9401  1932.54    251.833  1851.88    386.290  1992.17    332.110  57.512  6.3047  59.988  5.1617  -2.476288      8.148154  
1 1 1 -2  69  19 o 86.331  3.2997  4065.07    308.541  4441.64    453.208  3739.76    421.231  89.804  4.6756  82.363  4.7419  7.440506       6.659373  
1 1 1 -2  69  20 o 75.130  2.7218  3073.73    221.482  3508.12    562.164  2993.91    240.972  78.943  6.6363  74.103  3.0023  4.839378       7.283883  
1 1 1 -2  69  21 o 15.730  6.5170  44.301     181.687  -262.5643  484.170  94.594     196.011  20.755  9.5141  17.355  6.9231  3.399530       11.76638  
1 1 1 -2  69  22 o 38.536  5.1902  839.093    211.119  985.479    444.524  796.456    239.902  39.908  10.235  37.218  6.1672  2.689732       11.94935  
1 1 1 -2  69  23 o 39.995  5.2906  910.553    223.555  608.316    455.521  1006.44    256.580  31.644  10.932  41.880  5.8133  -10.23593      12.38161  
1 1 1 -2  69  24 o 23.843  7.5748  338.933    219.886  458.110    524.606  313.534    242.187  28.853  11.384  23.304  7.9749  5.549076       13.89921  
1 1 1 -2  69  25 o 54.617  4.2231  1679.47    247.876  1114.78    504.074  1859.57    284.674  39.994  11.194  57.271  4.6288  -17.27702      12.11368  
1 1 1 -2  69  26 o 33.189  1.6261  599.949    58.454   238.210    470.244  605.626    58.911   24.434  10.327  33.345  1.6312  -8.910725      10.45542  
1 1 1 -2  69  27 o 14.620  6.8354  -186.1652  268.921  0.0000     0.0000   -186.1652  268.921  ?       ?       14.620  6.8354  0.000000       6.835432  
1 1 1 -2  69  28 o 57.933  6.0492  2015.83    373.969  0.0000     0.0000   2015.83    373.969  ?       ?       57.933  6.0492  0.000000       6.049160  
1 1 1 -2  70  1  o 158.269 3.3938  13583.86   581.767  13705.73   822.647  13461.92   822.838  158.871 4.7808  157.448 4.8251  1.423340       6.792463  
1 1 1 -2  70  2  o 170.738 3.5221  15810.63   651.337  15944.54   920.430  15676.31   921.831  171.334 4.9599  169.882 5.0100  1.452301       7.049872  
1 1 1 -2  70  3  o 347.605 6.0392  65731.77   2273.71  65136.54   3216.73  66326.11   3214.30  345.227 8.6028  348.396 8.5181  -3.169189      12.10644  
1 1 1 -2  70  4  o 121.657 3.0199  8024.68    397.926  8177.68    568.372  7877.59    557.297  122.737 4.2755  120.465 4.2713  2.272766       6.043469  
1 1 1 -2  70  5  o 57.439  3.1438  1794.51    194.841  1717.85    293.523  1854.89    260.515  56.017  4.8868  58.308  4.1522  -2.291061      6.412630  
1 1 1 -2  70  6  o 42.099  3.9329  970.408    177.256  981.545    253.790  959.801    247.678  42.089  5.7149  41.625  5.6389  0.4646225      8.028512  
1 1 1 -2  70  7  o 213.589 4.0502  24772.73   936.973  24430.96   1325.41  25114.17   1324.75  211.814 5.7773  214.772 5.6949  -2.957962      8.112296  
1 1 1 -2  70  8  o 160.700 3.4239  14015.26   595.951  14110.36   845.958  13921.57   839.680  161.072 4.8491  159.991 4.8456  1.080673       6.855166  
1 1 1 -2  70  9  o 94.327  2.9562  4827.13    302.023  4527.29    436.502  5102.51    418.328  91.249  4.4166  96.909  3.9855  -5.659607      5.948999  
1 1 1 -2  70  10 o 122.438 3.0708  8136.16    407.233  8460.87    583.088  7826.94    569.000  124.724 4.3163  119.953 4.3796  4.771065       6.149073  
1 1 1 -2  70  11 o 108.788 2.9959  6424.34    352.997  6658.29    508.571  6206.86    490.352  110.619 4.2447  106.804 4.2389  3.815086       5.998820  
1 1 1 -2  70  12 o 81.545  2.6936  3608.82    237.900  3870.80    382.683  3443.81    303.721  84.326  4.1900  79.599  3.5229  4.726830       5.474162  
1 1 1 -2  70  13 o 215.138 4.1147  25204.33   958.806  25536.44   1361.93  24877.98   1350.06  215.955 5.8227  213.143 5.8481  2.812637       8.252476  
1 1 1 -2  70  14 o 210.102 4.0600  24048.99   923.907  24101.41   1313.07  23997.60   1300.23  209.689 5.7815  209.257 5.7368  0.4327393      8.144745  
1 1 1 -2  70  15 o 128.104 3.1785  8924.48    441.014  8938.62    630.075  8910.89    617.491  127.926 4.5474  127.748 4.4628  0.1785202      6.371440  
1 1 1 -2  70  16 o 19.193  6.7432  180.883    173.667  208.556    267.329  160.678    228.435  22.063  8.2731  20.022  7.6160  2.040722       11.24493  
1 1 1 -2  70  17 o 101.675 3.2284  5628.74    355.528  5604.41    520.929  5649.95    486.426  101.138 4.7555  101.629 4.4191  -0.4904099     6.491738  
1 1 1 -2  70  18 o 81.872  3.3264  3653.97    294.973  3724.86    432.267  3592.19    403.523  82.215  4.8761  80.802  4.6301  1.413544       6.724178  
1 1 1 -2  70  19 o 20.569  1.5376  230.779    34.008   180.122    334.248  231.309    34.186   22.830  9.0614  20.592  1.5440  2.237371       9.192015  
1 1 1 -2  70  20 o 128.999 3.2089  9084.81    448.340  9076.84    910.397  9087.36    515.138  127.126 6.6349  128.850 3.6912  -1.723785      7.592543  
1 1 1 -2  70  21 o 46.495  4.2554  1198.55    211.921  613.907    457.155  1358.57    239.172  32.479  10.958  49.456  4.5148  -16.97646      11.85122  
1 1 1 -2  70  22 o 54.390  2.5891  1613.34    152.520  1599.51    492.433  1614.81    160.408  51.535  9.1576  54.325  2.7349  -2.790001      9.557290  
1 1 1 -2  70  23 o 37.378  5.6200  804.667    220.478  907.453    450.576  772.308    252.812  37.429  10.622  36.172  6.6996  1.257092       12.55794  
1 1 1 -2  70  24 o 52.334  2.5333  1500.05    143.593  1250.63    497.272  1522.74    149.982  43.160  10.693  52.706  2.6273  -9.545555      11.01060  
1 1 1 -2  70  25 o 15.257  6.6326  -0.2620    204.292  -261.0775  427.547  76.904     232.557  18.448  8.6232  17.556  7.3316  0.8922176      11.31866  
1 1 1 -2  70  26 o 29.360  7.8218  549.972    253.204  0.0000     0.0000   549.972    253.204  ?       ?       29.360  7.8218  0.000000       7.821825  
1 1 1 -2  70  27 o 26.973  9.1560  483.253    319.209  0.0000     0.0000   483.253    319.209  ?       ?       26.973  9.1560  0.000000       9.156021  
1 1 1 -2  70  28 o 18.946  8.2040  74.378     310.136  0.0000     0.0000   74.378     310.136  ?       ?       18.946  8.2040  0.000000       8.203965  
1 1 1 -2  71  1  o 145.204 3.2240  11433.87   507.035  11331.68   717.555  11535.77   716.557  144.452 4.5863  145.751 4.5391  -1.299149      6.452713  
1 1 1 -2  71  2  o 93.648  2.8426  4754.55    288.330  4442.01    408.323  5065.37    407.200  90.461  4.1675  96.614  3.8913  -6.153542      5.701768  
1 1 1 -2  71  3  o 119.608 2.9936  7757.20    387.814  7875.86    551.568  7641.19    545.387  120.444 4.2281  118.635 4.2445  1.809135       5.991004  
1 1 1 -2  71  4  o 77.493  2.9133  3256.15    244.520  3391.03    362.441  3143.48    331.266  78.911  4.2563  75.990  4.0394  2.921852       5.867970  
1 1 1 -2  71  5  o 120.019 3.0092  7811.90    391.180  7952.82    562.368  7679.79    544.489  121.008 4.2908  118.918 4.2274  2.090263       6.023407  
1 1 1 -2  71  6  o 107.087 2.9286  6219.31    339.684  6473.91    482.420  5968.96    478.376  109.184 4.0794  104.829 4.2132  4.354195       5.864562  
1 1 1 -2  71  7  o 32.507  4.5288  585.387    155.122  524.057    224.721  641.211    214.395  30.375  6.9775  33.789  6.0819  -3.414354      9.256093  
1 1 1 -2  71  8  o 43.493  3.8501  1035.52    179.497  1157.82    275.095  944.841    236.867  45.745  5.6741  41.297  5.4270  4.447636       7.851559  
1 1 1 -2  71  9  o 165.923 3.5102  14950.82   630.830  14354.91   896.675  15534.79   887.649  162.331 5.0999  168.918 4.8517  -6.586639      7.039045  
1 1 1 -2  71  10 o 142.134 3.2499  10970.09   500.314  10700.83   712.948  11231.34   702.274  140.174 4.6959  143.637 4.5141  -3.463181      6.513718  
1 1 1 -2  71  11 o 203.273 3.9484  22475.64   869.306  22569.45   1231.23  22382.39   1227.55  203.248 5.5930  202.402 5.5996  0.8460999      7.914312  
1 1 1 -2  71  12 o 46.765  3.9451  1198.49    197.962  1309.95    322.507  1131.11    250.761  48.492  6.2884  45.217  5.2159  3.275608       8.170069  
1 1 1 -2  71  13 o 76.507  3.0775  3180.19    255.021  2915.15    370.239  3419.44    351.778  72.943  4.7115  79.126  4.1189  -6.183380      6.258068  
1 1 1 -2  71  14 o 33.685  5.4727  637.011    192.815  628.927    285.008  643.835    261.828  33.026  8.0426  33.494  7.4133  -0.4685059     10.93802  
1 1 1 -2  71  15 o 71.232  3.2474  2760.48    250.538  2861.57    374.685  2678.72    336.942  72.170  4.8211  69.886  4.4749  2.283478       6.577821  
1 1 1 -2  71  16 o 46.277  2.1594  1162.37    108.235  1139.94    338.911  1164.92    114.216  44.793  7.2321  46.322  2.2765  -1.529121      7.581919  
1 1 1 -2  71  17 o 77.108  2.7605  3233.35    230.547  3176.92    422.859  3257.23    275.018  75.866  5.1770  77.325  3.2838  -1.459068      6.130638  
1 1 1 -2  71  18 o 65.855  3.7384  2376.79    265.553  2116.20    405.752  2572.05    351.220  61.488  6.1761  68.264  4.7804  -6.776432      7.810003  
1 1 1 -2  71  19 f 33.497  6.1359  642.042    214.413  633.090    328.236  648.704    283.179  32.717  8.9870  33.233  7.9700  -0.5158043     12.01192  
1 1 1 -2  71  20 o 79.958  3.2903  3492.71    284.947  3694.20    649.396  3444.66    317.104  80.456  7.5401  79.317  3.6912  1.138489       8.395108  
1 1 1 -2  71  21 o ?       ?       -123.9559  30.055   -185.6254  401.909  -123.6091  30.140   19.319  8.7841  ?       ?       0.000000       8.784140  
1 1 1 -2  71  22 o 41.524  5.0270  973.396    221.482  539.341    457.271  1106.44    253.160  30.585  10.922  44.173  5.4040  -13.58842      12.18535  
1 1 1 -2  71  23 o 74.151  3.5082  3033.45    281.755  2995.99    570.752  3045.52    323.984  71.080  7.5282  73.965  4.0597  -2.885033      8.553010  
1 1 1 -2  71  24 o 53.635  4.4460  1622.86    255.947  1282.92    498.681  1744.44    298.223  43.723  10.633  55.315  5.0327  -11.59290      11.76381  
1 1 1 -2  71  25 o 7.9214  3.1157  20.404     39.184   -174.1742  534.187  21.457     39.290   21.351  9.8620  7.9853  3.1262  13.36584       10.34567  
1 1 1 -2  71  26 o 34.593  8.1212  770.238    299.076  0.0000     0.0000   770.238    299.076  ?       ?       34.593  8.1212  0.000000       8.121178  
1 1 1 -2  71  27 o 14.529  6.8103  -193.4444  269.925  0.0000     0.0000   -193.4444  269.925  ?       ?       14.529  6.8103  0.000000       6.810303  
1 1 1 -2  71  28 o 29.805  9.0141  609.568    315.764  0.0000     0.0000   609.568    315.764  ?       ?       29.805  9.0141  0.000000       9.014084  
1 1 1 -2  72  1  o 135.447 3.1064  9949.57    455.713  10053.25   647.084  9847.53    641.899  136.053 4.3912  134.653 4.4013  1.400131       6.217219  
1 1 1 -2  72  2  o 244.342 4.4901  32431.25   1188.30  32829.80   1681.96  32034.07   1679.07  245.469 6.3263  242.460 6.3938  3.008820       8.994566  
1 1 1 -2  72  3  o 132.316 3.1093  9495.65    445.598  9281.29    632.949  9706.29    627.429  130.708 4.4709  133.680 4.3334  -2.971848      6.226323  
1 1 1 -2  72  4  o 182.564 3.6885  18090.00   729.340  17890.46   1032.69  18288.58   1030.20  181.346 5.2576  183.364 5.1872  -2.017670      7.385813  
1 1 1 -2  72  5  o 207.497 3.9803  23380.62   894.547  23223.55   1265.84  23537.32   1264.32  206.510 5.6594  207.910 5.6145  -1.399460      7.971905  
1 1 1 -2  72  6  o 181.971 3.6636  17977.95   722.072  17902.69   1022.61  18052.78   1019.72  181.358 5.2060  182.123 5.1695  -0.7651062     7.336619  
1 1 1 -2  72  7  o 135.461 3.1551  9957.61    462.911  9940.33    657.088  9974.63    652.249  135.202 4.4871  135.440 4.4463  -0.2380676     6.316938  
1 1 1 -2  72  8  o 167.603 3.5464  15255.61   643.778  14979.40   919.981  15520.65   901.188  165.824 5.1222  168.831 4.9283  -3.006119      7.108103  
1 1 1 -2  72  9  o 137.266 3.1955  10230.00   475.090  10330.67   678.609  10133.22   665.344  137.760 4.5481  136.444 4.5022  1.315811       6.399572  
1 1 1 -2  72  10 o 52.190  3.3501  1485.65    188.368  1619.92    272.850  1363.37    260.374  54.331  4.6824  49.776  4.8927  4.554810       6.772264  
1 1 1 -2  72  11 o 100.621 2.9277  5497.23    319.073  5671.96    456.768  5330.71    445.902  102.077 4.1314  98.955  4.1604  3.121841       5.863216  
1 1 1 -2  72  12 f 70.959  3.1072  2735.45    238.809  3025.56    361.481  2510.77    318.115  74.363  4.5094  67.741  4.3589  6.621895       6.271681  
1 1 1 -2  72  13 o 98.325  3.0643  5253.62    326.340  5202.54    477.422  5298.42    447.098  97.651  4.5140  98.597  4.1867  -0.9466934     6.156612  
1 1 1 -2  72  14 o 146.516 3.3255  11678.67   527.737  12012.12   751.372  11354.01   741.393  148.262 4.6790  144.124 4.7494  4.138290       6.667103  
1 1 1 -2  72  15 o 85.599  3.1292  3985.63    290.113  4069.51    429.077  3915.00    393.759  86.151  4.6151  84.561  4.3136  1.590096       6.317137  
1 1 1 -2  72  16 o 24.118  6.7223  331.737    182.175  321.443    289.033  338.522    234.652  25.031  8.7046  24.739  7.8214  0.2917175      11.70230  
1 1 1 -2  72  17 o 14.248  6.3331  -66.0771   195.986  -134.3966  310.152  -20.6634   252.869  17.415  7.8366  17.131  7.4129  0.2848854      10.78725  
1 1 1 -2  72  18 o 31.759  6.5341  580.824    217.264  526.477    343.784  616.964    280.346  30.257  9.4527  32.452  8.0218  -2.194086      12.39768  
1 1 1 -2  72  19 o 34.617  6.2119  686.340    224.354  775.234    355.982  627.765    288.967  36.049  9.1125  32.617  8.1911  3.432640       12.25281  
1 1 1 -2  72  20 o 38.440  6.4517  847.797    259.097  900.629    527.164  830.970    297.512  38.268  11.663  37.695  7.5501  0.5723839      13.89388  
1 1 1 -2  72  21 o 52.130  4.3789  1509.49    244.953  867.125    478.447  1737.68    285.161  37.293  11.055  55.834  4.7609  -18.54114      12.03638  
1 1 1 -2  72  22 o 60.511  3.9970  2031.39    260.482  1913.39    513.362  2072.30    302.286  56.330  8.6940  60.879  4.6188  -4.548660      9.844734  
1 1 1 -2  72  23 o 52.246  2.1766  1489.80    123.166  1231.46    481.220  1507.91    127.410  43.272  10.397  52.551  2.2385  -9.278999      10.63540  
1 1 1 -2  72  24 o 27.832  7.1529  475.337    216.797  986.755    444.506  315.711    248.337  38.283  10.435  23.305  8.0706  14.97794       13.19147  
1 1 1 -2  72  25 o 19.625  7.3507  196.506    210.925  297.580    437.930  165.977    240.681  24.959  10.205  19.498  7.7049  5.461317       12.78730  
1 1 1 -2  72  26 o 29.720  8.5556  581.312    290.295  0.0000     0.0000   581.312    290.295  ?       ?       29.720  8.5556  0.000000       8.555615  
1 1 1 -2  72  27 o 18.413  7.8779  78.666     279.438  0.0000     0.0000   78.666     279.438  ?       ?       18.413  7.8779  0.000000       7.877851  
1 1 1 -2  73  1  o 263.182 4.7693  37651.63   1359.50  37246.14   1923.72  38056.20   1921.54  261.255 6.7984  264.105 6.7174  -2.849396      9.557299  
1 1 1 -2  73  2  o 117.116 2.9956  7439.22    379.993  7288.91    532.042  7595.74    542.905  115.839 4.2405  118.252 4.2388  -2.413132      5.995807  
1 1 1 -2  73  3  o 61.217  3.0919  2038.02    204.341  2036.04    281.582  2040.22    296.998  61.070  4.2842  61.105  4.5196  -0.3493118E-01 6.227453  
1 1 1 -2  73  4  o 28.035  4.9350  440.023    144.376  566.033    216.422  338.978    193.801  31.634  6.5329  24.593  6.9615  7.040823       9.546766  
1 1 1 -2  73  5  o 184.557 3.7184  18495.71   743.294  18883.37   1052.53  18110.04   1049.83  186.239 5.2179  182.367 5.3150  3.871460       7.448172  
1 1 1 -2  73  6  o 139.603 3.1970  10576.96   483.405  10914.42   682.792  10237.82   684.485  141.671 4.4498  137.189 4.6065  4.481750       6.404738  
1 1 1 -2  73  7  o 180.419 3.6433  17681.16   711.948  17500.99   1008.73  17859.98   1004.97  179.219 5.1966  181.063 5.1245  -1.843979      7.298322  
1 1 1 -2  73  8  o 187.007 3.7295  19004.43   755.393  19719.87   1077.20  18312.18   1059.59  190.178 5.2295  183.239 5.3389  6.939667       7.473428  
1 1 1 -2  73  9  o 64.432  3.1125  2254.10    217.207  2462.42    322.113  2080.39    294.142  67.106  4.4571  61.660  4.4340  5.446289       6.286962  
1 1 1 -2  73  10 o 52.914  3.3283  1527.18    189.777  1413.08    274.064  1632.29    263.044  50.644  5.0643  54.557  4.4914  -3.913746      6.769016  
1 1 1 -2  73  11 o 73.376  2.5938  2922.00    206.144  2867.55    353.875  2949.97    253.620  72.391  4.5362  73.687  3.1778  -1.296059      5.538525  
1 1 1 -2  73  12 o 22.202  6.3587  277.153    160.723  331.332    261.024  244.067    203.976  24.995  8.2774  21.719  7.3194  3.275675       11.04936  
1 1 1 -2  73  13 o 134.233 3.2459  9798.26    471.914  9942.13    670.737  9657.23    664.088  134.938 4.5893  132.986 4.6105  1.952499       6.505284  
1 1 1 -2  73  14 o 114.402 3.1522  7118.18    390.591  7114.94    573.691  7120.98    533.279  114.092 4.6425  114.213 4.3109  -0.1209030     6.335363  
1 1 1 -2  73  15 o 19.551  6.7626  192.417    174.337  160.964    271.840  214.392    227.217  21.136  8.2373  21.301  7.6882  -0.1645451     11.26775  
1 1 1 -2  73  16 o 44.635  4.7198  1103.63    224.718  1155.18    343.477  1065.05    297.134  45.019  7.2938  43.404  6.5222  1.614521       9.784609  
1 1 1 -2  73  17 o 108.548 3.2559  6422.55    382.794  6295.04    557.875  6536.00    526.218  107.055 4.8113  109.196 4.4493  -2.140816      6.553171  
1 1 1 -2  73  18 o 36.444  5.9223  754.060    225.740  730.439    358.859  769.526    290.391  35.066  9.2975  36.352  7.6191  -1.286274      12.02053  
1 1 1 -2  73  19 o 18.892  7.3876  130.176    219.214  211.005    383.013  90.799     267.329  24.308  9.6836  19.431  7.9624  4.877195       12.53680  
1 1 1 -2  73  20 o 21.820  1.7247  260.107    40.429   110.762    418.522  261.514    40.619   23.412  9.8108  21.879  1.7282  1.533381       9.961871  
1 1 1 -2  73  21 o 19.591  7.2260  181.856    202.289  -229.4636  421.643  304.839    230.556  19.287  8.8551  23.374  7.7812  -4.086687      11.78813  
1 1 1 -2  73  22 o 35.976  6.3411  758.302    238.062  764.044    539.419  756.913    265.296  34.424  11.896  35.616  7.1261  -1.191639      13.86713  
1 1 1 -2  73  23 o 18.328  7.1780  139.083    207.195  208.186    429.351  118.105    236.563  24.010  9.9887  18.603  7.5405  5.406546       12.51533  
1 1 1 -2  73  24 o 26.672  7.2952  438.563    216.831  353.686    446.405  464.771    248.058  26.160  10.444  27.289  7.9241  -1.128584      13.10982  
1 1 1 -2  73  25 o 40.602  5.4480  963.553    233.536  997.378    475.309  952.789    268.134  37.432  10.997  39.818  6.4369  -2.385506      12.74277  
1 1 1 -2  73  26 o 11.673  5.7448  -471.3146  255.573  0.0000     0.0000   -471.3146  255.573  ?       ?       11.673  5.7448  0.000000       5.744805  
1 1 1 -2  73  27 o 25.931  9.4380  436.998    343.450  0.0000     0.0000   436.998    343.450  ?       ?       25.931  9.4380  0.000000       9.437992  
1 1 1 -2  74  1  o 116.211 2.9550  7325.57    371.947  7253.23    528.651  7396.48    523.414  115.538 4.2245  116.681 4.1417  -1.142845      5.916049  
1 1 1 -2  74  2  o 34.638  3.9725  660.154    146.336  567.247    215.815  739.222    199.096  31.667  6.5097  36.495  5.1824  -4.827536      8.320662  
1 1 1 -2  74  3  o 201.853 3.9384  22132.47   861.049  21769.99   1221.21  22490.82   1214.23  199.875 5.6411  203.184 5.5175  -3.309448      7.890778  
1 1 1 -2  74  4  f 199.687 3.8864  21661.31   840.565  21742.61   1190.72  21580.55   1186.77  199.752 5.5036  199.005 5.5059  0.7463379      7.784936  
1 1 1 -2  74  5  o 57.220  3.0999  1782.00    191.402  1901.46    275.380  1670.35    266.218  58.977  4.3415  55.237  4.4886  3.739880       6.244695  
1 1 1 -2  74  6  o 122.915 3.0445  8199.46    405.307  7696.40    574.008  8699.66    572.378  118.939 4.4558  126.489 4.1779  -7.549789      6.108107  
1 1 1 -2  74  7  o 111.450 2.9621  6741.37    357.556  6955.71    509.443  6533.29    501.962  113.088 4.1592  109.592 4.2288  3.495636       5.931431  
1 1 1 -2  74  8  o 37.949  4.1457  792.679    167.625  842.225    255.079  755.019    222.385  38.750  6.2935  36.742  5.7790  2.007866       8.544259  
1 1 1 -2  74  9  o 117.196 3.0510  7458.21    387.285  7338.17    556.328  7571.08    539.468  116.077 4.4250  117.935 4.2233  -1.857330      6.116953  
1 1 1 -2  74  10 o 71.105  2.9974  2745.70    230.840  2625.34    331.569  2858.91    321.575  69.274  4.4425  72.351  4.1207  -3.076828      6.059346  
1 1 1 -2  74  11 o 28.685  5.5602  465.249    166.512  123.026    272.502  669.167    210.350  20.481  8.1651  34.494  5.8386  -14.01353      10.03779  
1 1 1 -2  74  12 o 107.260 3.0015  6251.31    348.700  6334.40    503.357  6174.63    483.513  107.778 4.3120  106.430 4.1944  1.348236       6.015517  
1 1 1 -2  74  13 o 143.520 3.3205  11205.90   516.162  11606.74   738.034  10822.13   722.153  145.739 4.6755  140.710 4.7384  5.029266       6.656810  
1 1 1 -2  74  14 o 200.379 3.9467  21897.22   856.556  22637.11   1219.05  21175.72   1203.81  203.047 5.5431  196.326 5.6612  6.721268       7.923079  
1 1 1 -2  74  15 o 87.338  3.2217  4152.64    304.764  4078.29    462.508  4209.71    405.164  86.102  4.9807  87.764  4.2623  -1.662132      6.555534  
1 1 1 -2  74  16 f 89.815  3.2867  4395.38    319.729  4498.88    470.143  4306.31    436.104  90.426  4.8176  88.536  4.5633  1.889977       6.635737  
1 1 1 -2  74  17 o 40.964  5.0145  936.455    217.839  852.937    322.823  1006.28    295.173  38.242  8.0487  42.027  6.7103  -3.785023      10.47899  
1 1 1 -2  74  18 o 50.944  4.4588  1436.18    243.550  1237.03    377.988  1577.56    318.473  46.218  7.8304  53.089  5.6243  -6.870277      9.640911  
1 1 1 -2  74  19 o 59.782  2.6617  1946.36    172.345  2086.17    384.882  1911.29    192.750  60.965  5.9027  59.118  3.0204  1.846920       6.630590  
1 1 1 -2  74  20 o 100.719 3.7252  5565.18    406.379  5711.61    711.997  5494.44    494.910  100.489 6.5780  99.749  4.5809  0.7398071      8.015902  
1 1 1 -2  74  21 f 61.836  3.8163  2113.95    254.349  1865.42    520.892  2191.76    291.458  55.612  8.9516  62.793  4.3115  -7.180668      9.935792  
1 1 1 -2  74  22 o 99.690  3.0344  5457.90    327.637  4953.49    714.377  5592.27    368.701  91.803  7.2434  100.742 3.3791  -8.938278      7.992787  
1 1 1 -2  74  23 o 114.850 3.3457  7282.78    416.183  6479.07    826.018  7556.22    481.808  104.382 7.3532  116.653 3.8134  -12.27040      8.283194  
1 1 1 -2  74  24 o 53.901  4.3158  1640.00    249.845  1397.34    508.973  1717.03    286.773  45.431  10.547  54.857  4.8774  -9.426453      11.61971  
1 1 1 -2  74  25 o 15.967  7.0552  -20.6835   239.769  0.0000     0.0000   -20.6835   239.769  ?       ?       15.967  7.0552  0.000000       7.055199  
1 1 1 -2  74  26 o 19.226  8.2204  90.906     303.933  0.0000     0.0000   90.906     303.933  ?       ?       19.226  8.2204  0.000000       8.220410  
1 1 1 -2  74  27 o 33.683  8.7711  762.784    323.142  0.0000     0.0000   762.784    323.142  ?       ?       33.683  8.7711  0.000000       8.771069  
1 1 1 -2  75  1  o 124.544 3.0095  8415.95    405.968  8312.00    576.728  8518.05    571.559  123.651 4.3063  125.185 4.2154  -1.533287      6.026084  
1 1 1 -2  75  2  f 40.147  3.4472  881.450    148.441  926.867    212.044  837.802    207.873  40.983  4.8724  38.907  5.0521  2.076122       7.018812  
1 1 1 -2  75  3  o 89.163  2.8169  4312.75    272.036  4219.68    388.667  4402.13    380.887  88.113  4.0726  90.010  3.9069  -1.897606      5.643552  
1 1 1 -2  75  4  o 126.896 3.0901  8739.31    424.707  8408.55    607.557  9055.40    593.926  124.319 4.5121  129.046 4.2493  -4.726791      6.198050  
1 1 1 -2  75  5  o 68.231  2.8782  2526.18    212.704  2286.85    309.523  2740.33    292.792  64.680  4.4453  70.908  3.8265  -6.228844      5.865385  
1 1 1 -2  75  6  o 166.144 3.4796  14994.58   626.156  14879.03   887.016  15109.36   884.028  165.244 4.9561  166.529 4.9012  -1.285400      6.970274  
1 1 1 -2  75  7  o 143.430 3.2329  11172.18   502.228  10930.64   712.789  11410.32   707.754  141.661 4.6456  144.759 4.5140  -3.098175      6.477510  
1 1 1 -2  75  8  o 40.043  3.9140  880.381    167.581  832.755    248.421  920.153    227.014  38.541  6.1585  40.727  5.2699  -2.186779      8.105457  
1 1 1 -2  75  9  o 62.765  3.1861  2145.48    215.882  2242.15    321.638  2066.23    291.230  63.964  4.6750  61.432  4.4062  2.532230       6.424188  
1 1 1 -2  75  10 o 64.613  3.0751  2267.90    215.203  2337.16    310.996  2204.27    298.100  65.337  4.4206  63.453  4.3640  1.884399       6.211831  
1 1 1 -2  75  11 o 75.095  3.0323  3064.06    246.633  2760.99    363.135  3323.58    336.025  70.959  4.7524  78.016  3.9900  -7.057297      6.205252  
1 1 1 -2  75  12 o 48.124  3.6715  1268.16    189.927  1109.05    287.413  1391.49    253.052  44.525  6.1218  50.254  4.7038  -5.729351      7.720275  
1 1 1 -2  75  13 o 114.195 3.0508  7090.38    377.338  7060.79    543.604  7117.90    524.198  113.708 4.4139  114.204 4.2378  -0.4961777     6.118962  
1 1 1 -2  75  14 o 60.258  2.5815  1972.59    168.484  2262.28    348.127  1883.99    192.534  64.053  5.0592  58.776  3.0347  5.276669       5.899544  
1 1 1 -2  75  15 o 35.398  5.4432  704.535    202.010  915.487    336.626  585.812    252.536  39.761  8.0919  31.807  7.4596  7.953924       11.00569  
1 1 1 -2  75  16 o 63.229  3.7670  2191.17    256.810  2003.41    386.920  2339.02    343.341  59.880  6.0488  65.071  4.9077  -5.191460      7.789285  
1 1 1 -2  75  17 o 127.173 3.3175  8823.30    456.954  8649.29    661.119  8982.47    632.305  125.382 4.8683  127.895 4.5646  -2.513466      6.673499  
1 1 1 -2  75  18 f 66.253  2.6632  2389.82    191.106  2589.24    413.292  2335.59    215.533  68.113  5.6533  65.444  3.0407  2.669075       6.419119  
1 1 1 -2  75  19 o 46.226  4.9079  1192.91    241.964  1075.91    380.944  1272.04    313.274  42.635  8.5470  47.324  6.2660  -4.688152      10.59778  
1 1 1 -2  75  20 o 42.253  5.8192  1016.41    259.248  907.427    460.868  1066.86    313.562  38.132  10.715  42.867  6.9948  -4.735069      12.79586  
1 1 1 -2  75  21 o 22.845  7.3638  299.766    207.231  850.132    436.999  140.094    235.380  36.463  10.497  19.262  7.6171  17.20149       12.96962  
1 1 1 -2  75  22 o 52.018  4.3353  1519.42    242.029  1192.65    494.977  1622.09    277.460  42.357  10.766  53.529  4.8379  -11.17233      11.80332  
1 1 1 -2  75  23 o 17.039  7.0215  79.823     209.341  84.091     434.781  78.535     238.851  22.373  9.7009  17.848  7.4398  4.525448       12.22531  
1 1 1 -2  75  24 o 60.615  4.0198  2062.74    262.414  1290.99    532.352  2310.45    301.601  42.783  11.315  63.957  4.3803  -21.17320      12.13296  
1 1 1 -2  75  25 o 23.939  8.6650  342.980    288.920  0.0000     0.0000   342.980    288.920  ?       ?       23.939  8.6650  0.000000       8.665010  
1 1 1 -2  75  26 o 48.657  6.7531  1445.15    346.301  0.0000     0.0000   1445.15    346.301  ?       ?       48.657  6.7531  0.000000       6.753132  
1 1 1 -2  76  1  o 83.562  2.7939  3788.27    252.871  3882.41    357.673  3694.20    357.554  84.522  3.9070  82.440  4.0043  2.081467       5.594616  
1 1 1 -2  76  2  o 40.340  3.6456  891.164    157.565  845.747    211.772  947.483    235.824  39.070  5.1283  41.345  5.3947  -2.275040      7.443271  
1 1 1 -2  76  3  f 166.727 3.4856  15097.95   629.434  14516.03   890.647  15678.57   889.661  163.225 5.0379  169.674 4.8410  -6.449509      6.986839  
1 1 1 -2  76  4  o 143.627 3.2160  11200.10   500.284  11362.54   713.419  11042.93   701.742  144.478 4.5590  142.433 4.5488  2.044846       6.440196  
1 1 1 -2  76  5  o 78.253  2.9133  3323.45    246.920  3379.45    359.554  3273.47    339.687  78.701  4.2336  77.477  4.0621  1.224121       5.867204  
1 1 1 -2  76  6  o 64.260  3.0488  2241.91    212.200  2142.43    295.794  2347.39    304.592  62.582  4.3916  65.532  4.3155  -2.949413      6.157138  
1 1 1 -2  76  7  o 87.443  2.8704  4150.69    271.860  4129.07    388.516  4171.43    380.544  87.106  4.1180  87.563  4.0125  -0.4564133     5.749624  
1 1 1 -2  76  8  o 79.547  2.9297  3435.65    252.411  3431.81    366.113  3439.12    348.466  79.272  4.2799  79.389  4.0662  -0.1168976     5.903535  
1 1 1 -2  76  9  o 225.392 4.2740  27674.34   1043.38  27177.33   1479.74  28165.77   1471.40  222.666 6.1357  226.743 5.9914  -4.076447      8.575735  
1 1 1 -2  76  10 o 155.493 3.4086  13147.14   574.065  13317.18   816.067  12980.57   807.700  156.177 4.8243  154.188 4.8365  1.989563       6.831250  
1 1 1 -2  76  11 o 170.813 3.5714  15878.92   660.733  15853.35   940.315  15903.86   928.629  170.242 5.0996  170.536 5.0275  -0.2948303     7.161155  
1 1 1 -2  76  12 o 29.244  5.5761  484.243    170.173  543.794    277.137  448.201    215.606  30.724  8.1822  27.946  7.1069  2.777582       10.83769  
1 1 1 -2  76  13 o 119.717 3.0830  7795.18    399.764  8213.22    575.679  7405.85    555.560  122.629 4.3343  116.429 4.4055  6.199478       6.180198  
1 1 1 -2  76  14 o 27.966  6.0063  447.199    176.502  318.065    263.525  552.256    237.693  24.566  8.3193  30.930  7.2256  -6.364374      11.01903  
1 1 1 -2  76  15 o 128.814 3.2933  9041.22    459.472  9136.35    654.106  8948.56    645.560  129.088 4.6783  127.759 4.6652  1.329170       6.606913  
1 1 1 -2  76  16 f 74.425  2.7743  3014.23    223.636  2683.27    418.704  3146.33    264.529  69.492  5.6108  75.975  3.2146  -6.483704      6.466438  
1 1 1 -2  76  17 o 50.243  2.3465  1372.43    127.691  1232.07    368.460  1391.59    136.127  46.218  7.6265  50.581  2.4848  -4.362469      8.021084  
1 1 1 -2  76  18 o 29.850  6.7926  518.325    214.670  63.581     325.983  866.534    285.254  20.576  8.6422  38.723  7.0615  -18.14752      11.16031  
1 1 1 -2  76  19 o 31.448  6.8527  577.954    226.814  549.395    361.821  596.441    291.114  30.560  9.7176  31.632  8.3678  -1.072021      12.82388  
1 1 1 -2  76  20 o 64.325  4.4926  2301.60    311.038  2251.95    532.436  2327.32    383.229  61.823  8.1502  64.239  5.5628  -2.416546      9.867630  
1 1 1 -2  76  21 o 53.282  2.4958  1551.19    144.034  2064.77    499.532  1504.62    150.422  58.669  8.0750  52.379  2.6602  6.290676       8.501940  
1 1 1 -2  76  22 f 37.660  5.6853  823.850    224.679  1272.52    467.059  688.762    256.281  44.319  9.9712  33.697  7.2379  10.62212       12.32124  
1 1 1 -2  76  23 o 49.418  1.7274  1329.87    92.460   679.367    475.846  1355.39    94.257   31.900  11.165  49.887  1.7444  -17.98713      11.30005  
1 1 1 -2  76  24 o 31.758  6.8011  617.198    226.886  687.322    467.605  595.605    259.476  31.594  11.067  30.703  7.7902  0.8917694      13.53384  
1 1 1 -2  76  25 o 20.404  8.2859  174.930    286.213  0.0000     0.0000   174.930    286.213  ?       ?       20.404  8.2859  0.000000       8.285879  
1 1 1 -2  76  26 o 15.578  7.2200  -157.4278  289.964  0.0000     0.0000   -157.4278  289.964  ?       ?       15.578  7.2200  0.000000       7.220050  
1 1 1 -2  77  1  o 80.764  2.7654  3539.22    241.903  3556.02    345.866  3523.12    338.461  80.876  3.9484  80.506  3.8816  0.3697357      5.536823  
1 1 1 -2  77  2  o 76.611  2.7788  3184.74    230.578  3180.38    327.916  3189.00    324.289  76.379  3.9776  76.489  3.9276  -0.1102753     5.589975  
1 1 1 -2  77  3  o 138.551 3.1948  10423.22   479.432  10423.68   678.147  10422.77   677.891  138.371 4.5249  138.365 4.5234  0.5828857E-02  6.398104  
1 1 1 -2  77  4  o 152.177 3.3117  12577.91   545.852  12428.18   775.071  12725.26   768.867  151.038 4.7379  152.850 4.6442  -1.812347      6.634508  
1 1 1 -2  77  5  o 99.519  2.8583  5375.70    308.097  5439.09    442.592  5316.11    429.147  99.986  4.0869  98.858  4.0080  1.128098       5.724224  
1 1 1 -2  77  6  o 115.718 3.0222  7270.96    378.784  6886.85    533.290  7662.03    538.105  112.458 4.3783  118.646 4.1874  -6.188263      6.058349  
1 1 1 -2  77  7  f 68.683  2.9510  2561.40    219.524  2598.14    315.889  2527.09    305.289  68.948  4.2508  68.007  4.1647  0.9404373      5.950936  
1 1 1 -2  77  8  f 94.059  2.9208  4804.35    297.563  4774.84    428.571  4831.80    413.470  93.630  4.2261  94.209  4.0521  -0.5785141     5.854868  
1 1 1 -2  77  9  o 65.601  3.0666  2338.16    217.894  2140.33    314.927  2519.82    301.789  62.457  4.6896  67.890  4.1237  -5.433052      6.244806  
1 1 1 -2  77  10 o 28.993  5.2229  473.600    157.976  518.320    232.813  435.439    215.065  30.053  7.2385  27.580  7.1428  2.473156       10.16932  
1 1 1 -2  77  11 o 91.322  2.9282  4532.00    289.633  4695.25    416.616  4379.31    402.934  92.791  4.1453  89.614  4.1513  3.177101       5.866632  
1 1 1 -2  77  12 o 92.317  3.0759  4634.45    307.561  4656.93    465.663  4617.06    409.620  92.176  4.6796  91.995  4.1110  0.1813431      6.228899  
1 1 1 -2  77  13 o 19.155  6.5762  186.344    164.713  194.096    271.040  181.806    207.406  21.815  8.2964  20.005  7.3262  1.809118       11.06812  
1 1 1 -2  77  14 f 41.232  4.6433  942.621    203.755  1022.17    340.471  898.234    254.326  42.170  7.7395  39.908  6.0755  2.261803       9.839276  
1 1 1 -2  77  15 o 94.599  3.2754  4877.33    335.601  4544.11    495.128  5160.52    456.451  90.777  5.0559  97.073  4.3414  -6.295555      6.664055  
1 1 1 -2  77  16 o 64.538  3.7633  2284.38    261.915  1995.19    395.233  2510.82    349.734  59.641  6.2094  67.407  4.8221  -7.766129      7.861931  
1 1 1 -2  77  17 f 102.824 3.2922  5771.26    366.645  5435.08    537.416  6063.99    501.476  99.147  5.0208  105.072 4.4065  -5.924660      6.680273  
1 1 1 -2  77  18 o 47.997  4.7373  1281.94    243.056  1296.27    380.102  1272.02    316.137  47.281  7.6864  47.324  6.3260  -0.4288483E-01 9.954869  
1 1 1 -2  77  19 o 36.629  5.8929  767.879    225.862  861.516    345.703  698.142    298.338  37.872  8.6213  34.180  8.1699  3.691998       11.87746  
1 1 1 -2  77  20 o 32.292  1.5438  566.398    53.995   371.594    441.668  569.354    54.403   27.348  10.544  32.376  1.5514  -5.027586      10.65740  
1 1 1 -2  77  21 o 13.407  6.1702  -131.1508  206.419  392.352    518.778  -229.6223  224.997  28.094  11.244  12.913  6.1038  15.18059       12.79363  
1 1 1 -2  77  22 o 92.757  3.3454  4747.85    336.098  4713.36    681.970  4758.91    386.264  89.336  7.1068  92.585  3.8519  -3.249176      8.083551  
1 1 1 -2  77  23 o 71.085  3.8073  2819.33    292.067  2553.65    577.340  2910.71    338.589  64.043  8.5358  71.899  4.3686  -7.856750      9.588728  
1 1 1 -2  77  24 o 63.835  3.9494  2288.89    271.722  2161.60    552.010  2329.59    312.159  57.867  9.1083  64.045  4.5293  -6.177040      10.17236  
1 1 1 -2  77  25 o 22.030  8.5173  258.289    288.834  0.0000     0.0000   258.289    288.834  ?       ?       22.030  8.5173  0.000000       8.517310  
1 1 1 -2  78  1  o 95.431  2.8808  4942.97    297.768  4929.62    420.471  4956.41    421.746  95.196  4.0780  95.454  4.0793  -0.2581711     5.768097  
1 1 1 -2  78  2  o 124.114 3.0348  8363.17    407.970  7922.23    578.889  8798.27    575.044  120.628 4.4308  127.160 4.1752  -6.532486      6.088039  
1 1 1 -2  78  3  o 69.866  2.8537  2649.45    215.948  2718.22    310.310  2584.86    300.710  70.568  4.0773  68.813  4.0526  1.755554       5.748695  
1 1 1 -2  78  4  o 57.616  3.0422  1807.47    189.172  1652.15    269.345  1958.67    265.752  54.884  4.5726  59.855  4.1244  -4.970882      6.157894  
1 1 1 -2  78  5  o 43.993  3.3934  1057.82    160.440  1310.51    241.503  858.195    214.655  48.826  4.6217  39.326  5.1644  9.500050       6.930448  
1 1 1 -2  78  6  o 121.473 3.0771  8014.00    404.848  7854.22    575.240  8170.82    569.879  120.072 4.4232  122.488 4.2955  -2.416725      6.165754  
1 1 1 -2  78  7  o 133.402 3.1462  9668.29    454.593  9579.07    645.909  9755.87    639.917  132.564 4.4986  133.798 4.4157  -1.233627      6.303639  
1 1 1 -2  78  8  o 37.172  4.1785  762.114    165.318  907.986    230.749  608.276    236.965  40.396  5.4098  32.650  6.9161  7.746033       8.780547  
1 1 1 -2  78  9  o 104.790 2.9521  5966.02    335.058  5701.46    477.033  6223.62    470.717  102.253 4.3073  106.873 4.0665  -4.619720      5.923598  
1 1 1 -2  78  10 o 97.692  2.9956  5186.77    316.970  4724.97    458.204  5610.56    438.942  93.027  4.5476  101.465 3.9941  -8.437973      6.052537  
1 1 1 -2  78  11 o 99.807  2.9527  5414.59    319.189  5535.56    458.212  5300.56    444.887  100.726 4.2001  98.570  4.1671  2.155495       5.916530  
1 1 1 -2  78  12 o 61.115  3.3156  2038.91    218.651  2141.77    366.330  1981.99    272.517  62.222  5.4921  60.106  4.2127  2.116173       6.921726  
1 1 1 -2  78  13 o 93.612  3.0648  4768.57    310.746  4703.17    461.466  4822.82    420.332  92.692  4.5965  93.960  4.1303  -1.268440      6.179567  
1 1 1 -2  78  14 o 33.540  5.4739  634.785    191.992  1012.50    332.590  446.012    235.123  41.966  7.5968  27.790  7.5949  14.17589       10.74217  
1 1 1 -2  78  15 o 60.662  4.0229  2021.54    262.821  1908.61    418.827  2094.90    337.555  58.182  6.7730  61.494  5.1144  -3.312572      8.487093  
1 1 1 -2  78  16 o 98.673  3.2800  5312.41    350.546  5085.61    513.744  5509.99    479.516  95.963  4.9598  100.187 4.4190  -4.224060      6.642782  
1 1 1 -2  78  17 f 40.532  5.3458  923.379    228.956  650.651    354.577  1118.41    299.848  33.089  9.4336  44.344  6.4306  -11.25462      11.41695  
1 1 1 -2  78  18 o 27.942  7.3012  458.622    223.412  487.589    356.365  439.865    286.763  29.178  9.6721  27.568  8.6367  1.610279       12.96693  
1 1 1 -2  78  19 o 22.287  7.7462  265.555    228.877  -16.5538   387.533  416.665    283.627  20.773  9.0806  26.770  8.6134  -5.997143      12.51590  
1 1 1 -2  78  20 o 20.058  7.4725  193.619    217.399  -73.7551   434.300  283.017    251.127  20.946  9.3606  22.854  8.1007  -1.907480      12.37913  
1 1 1 -2  78  21 o 18.198  7.2475  122.565    214.491  29.166     533.900  140.541    234.224  23.814  10.525  19.088  7.5825  4.725750       12.97188  
1 1 1 -2  78  22 o 78.671  2.8778  3400.48    245.215  2566.29    603.825  3565.22    268.338  64.137  8.9348  80.471  3.0787  -16.33363      9.450400  
1 1 1 -2  78  23 o 109.106 3.4090  6595.61    402.847  5645.52    858.390  6863.97    456.206  95.424  8.3906  111.004 3.7945  -15.58041      9.208702  
1 1 1 -2  78  24 o 57.176  2.9908  1810.10    184.567  0.0000     0.0000   1810.10    184.567  ?       ?       57.176  2.9908  0.000000       2.990760  
1 1 1 -2  78  25 o 39.295  7.7110  975.438    316.464  0.0000     0.0000   975.438    316.464  ?       ?       39.295  7.7110  0.000000       7.711000  
1 1 1 -2  79  1  o 26.890  4.6009  404.844    129.181  321.421    186.904  481.143    178.747  23.922  6.8587  29.155  5.8637  -5.232996      9.023544  
1 1 1 -2  79  2  o 76.349  2.7878  3163.85    230.532  2879.60    327.714  3442.31    324.355  72.619  4.1843  79.565  3.7638  -6.946716      5.627998  
1 1 1 -2  79  3  o 144.178 3.2355  11291.77   505.253  11358.39   717.664  11226.30   711.448  144.380 4.5893  143.540 4.5761  0.8394928      6.480930  
1 1 1 -2  79  4  o 142.101 3.2296  10969.64   497.064  10521.16   703.454  11416.84   702.456  138.929 4.6749  144.760 4.4802  -5.831253      6.475107  
1 1 1 -2  79  5  o 25.726  5.0147  373.449    134.707  426.433    209.101  335.859    176.125  27.338  7.0242  24.329  6.5420  3.009050       9.598800  
1 1 1 -2  79  6  o 26.364  5.5494  394.255    153.449  409.441    216.464  378.915    217.559  26.822  7.2696  25.900  7.3914  0.9221191      10.36722  
1 1 1 -2  79  7  o 59.860  3.1158  1952.26    201.314  1956.68    289.932  1948.15    279.742  59.732  4.5148  59.625  4.3620  0.1064262      6.277761  
1 1 1 -2  79  8  o 80.047  2.9449  3481.12    255.317  3553.80    359.113  3406.82    363.065  80.650  4.1249  78.937  4.2623  1.713554       5.931440  
1 1 1 -2  79  9  o 31.743  4.6392  561.538    154.789  498.626    221.244  621.858    216.639  29.484  7.0276  33.109  6.2707  -3.625046      9.418530  
1 1 1 -2  79  10 o 89.084  2.9840  4313.60    287.917  4413.74    419.955  4224.78    395.498  89.932  4.3114  88.010  4.1490  1.921158       5.983497  
1 1 1 -2  79  11 o 65.116  3.1107  2306.21    219.390  2460.38    320.068  2169.58    301.311  66.965  4.4381  62.862  4.4543  4.102760       6.287862  
1 1 1 -2  79  12 f 81.269  2.7246  3589.87    239.825  4042.43    406.589  3348.41    296.991  85.882  4.3856  78.396  3.4977  7.486351       5.609589  
1 1 1 -2  79  13 o 23.112  6.6805  302.952    176.670  244.872    313.886  329.883    213.742  23.763  8.9541  24.257  7.4331  -0.4939423     11.63728  
1 1 1 -2  79  14 o 54.185  4.1482  1615.38    241.603  1862.65    399.295  1472.57    303.456  57.585  6.5167  51.397  5.5386  6.187336       8.552402  
1 1 1 -2  79  15 o 108.327 3.2797  6400.23    384.808  6276.83    562.796  6508.57    527.335  106.826 4.8641  108.911 4.4704  -2.084511      6.606339  
1 1 1 -2  79  16 o 66.723  3.6240  2440.70    260.918  1952.43    378.842  2881.31    359.877  59.001  6.0123  72.248  4.6232  -13.24683      7.584310  
1 1 1 -2  79  17 o 14.959  6.5792  -44.0447   206.219  -87.5800   327.683  -15.4960   265.355  18.428  8.1900  17.517  7.5870  0.9108715      11.16420  
1 1 1 -2  79  18 o 64.256  3.9508  2277.27    273.625  2080.60    420.237  2422.02    360.520  60.468  6.5197  65.887  5.0914  -5.419735      8.272179  
1 1 1 -2  79  19 o 66.148  2.9498  2394.29    211.341  2783.69    477.902  2299.62    235.634  69.755  6.3967  64.639  3.3774  5.116524       7.233565  
1 1 1 -2  79  20 o 26.641  8.0537  429.785    252.104  595.757    449.637  353.686    304.462  30.992  10.852  25.064  8.9158  5.928295       14.04516  
1 1 1 -2  79  21 o 27.091  7.1693  445.784    213.641  206.464    455.527  513.268    241.895  24.526  10.253  28.925  7.6162  -4.399323      12.77242  
1 1 1 -2  79  22 o 33.105  6.4657  655.890    223.519  783.507    468.395  618.259    254.347  33.974  11.080  31.643  7.5302  2.330734       13.39691  
1 1 1 -2  79  23 o 42.536  5.5021  1054.13    247.545  1295.01    587.433  1002.12    272.965  41.919  12.201  40.995  6.3531  0.9230385      13.75552  
1 1 1 -2  79  24 o 73.378  5.0845  3099.47    401.605  0.0000     0.0000   3099.47    401.605  ?       ?       73.378  5.0845  0.000000       5.084524  
1 1 1 -2  79  25 o 17.767  7.7953  13.870     287.936  0.0000     0.0000   13.870     287.936  ?       ?       17.767  7.7953  0.000000       7.795285  
1 1 1 -2  80  1  o 75.891  2.8201  3126.54    231.805  3155.29    326.368  3097.28    329.295  76.046  3.9762  75.331  4.0508  0.7150040      5.676180  
1 1 1 -2  80  2  o 51.648  3.1172  1454.14    173.558  1407.67    242.022  1503.33    249.023  50.637  4.4583  52.346  4.4339  -1.708714      6.287767  
1 1 1 -2  80  3  o 73.272  2.8746  2914.98    228.129  2842.86    323.954  2985.92    321.310  72.139  4.1638  73.958  4.0263  -1.818916      5.792091  
1 1 1 -2  80  4  o 100.277 2.8843  5460.14    313.264  5491.94    444.067  5428.63    441.986  100.434 4.0822  99.853  4.0867  0.5811310      5.776334  
1 1 1 -2  80  5  o 93.040  2.8342  4700.52    285.612  4777.28    410.600  4628.56    397.548  93.666  4.0473  92.205  3.9808  1.461311       5.676895  
1 1 1 -2  80  6  o 45.392  3.5195  1127.34    171.681  1123.46    249.771  1130.82    236.370  45.038  5.2168  45.246  4.9016  -0.2075882     7.158291  
1 1 1 -2  80  7  o 76.653  2.9161  3192.01    242.107  3394.20    347.594  3001.50    337.414  78.821  4.0856  74.085  4.2224  4.735512       5.875466  
1 1 1 -2  80  8  o 63.021  3.0481  2158.60    208.056  2297.15    298.736  2028.10    289.933  64.761  4.2831  60.808  4.4327  3.953362       6.163946  
1 1 1 -2  80  9  o 20.171  6.1029  225.350    144.719  375.471    207.719  83.747     201.740  25.690  7.1845  17.475  7.0053  8.214783       10.03448  
1 1 1 -2  80  10 o 38.317  4.3569  811.795    177.603  917.591    273.638  734.788    233.456  40.313  6.4871  36.046  6.2034  4.266411       8.975771  
1 1 1 -2  80  11 o 47.825  3.6140  1253.39    185.824  1277.57    274.312  1232.88    252.616  47.953  5.3739  47.173  5.0215  0.7805061      7.354883  
1 1 1 -2  80  12 o 21.386  1.2295  248.696    28.360   277.524    253.445  248.330    28.539   23.372  8.1498  21.369  1.2383  2.002567       8.243341  
1 1 1 -2  80  13 o 98.543  3.1735  5289.14    338.710  5455.50    525.655  5171.03    442.918  99.695  4.8681  97.226  4.2060  2.469154       6.433397  
1 1 1 -2  80  14 o 34.845  5.9744  689.927    217.365  519.104    373.595  777.347    267.258  30.339  9.8957  36.771  6.9655  -6.431692      12.10142  
1 1 1 -2  80  15 o 20.153  7.1802  199.458    197.536  416.589    304.836  42.282     259.357  27.324  8.9401  18.361  7.7101  8.963179       11.80556  
1 1 1 -2  80  16 o 27.104  7.2147  427.703    215.544  216.415    336.269  575.054    280.819  23.483  9.1590  31.247  8.1959  -7.764170      12.29060  
1 1 1 -2  80  17 o 64.005  3.8742  2255.22    267.309  2051.42    405.449  2411.92    355.517  60.224  6.3095  65.842  5.0232  -5.617931      8.064871  
1 1 1 -2  80  18 o 108.407 3.4555  6445.00    405.732  6435.98    622.249  6451.67    535.136  107.396 5.3494  107.955 4.5767  -0.5580826     7.040040  
1 1 1 -2  80  19 o 122.902 3.4663  8310.71    461.414  8048.16    710.126  8502.56    607.016  119.541 5.4847  123.624 4.5334  -4.083412      7.115714  
1 1 1 -2  80  20 o 106.463 3.9291  6282.65    453.065  6054.54    831.219  6379.06    540.395  101.109 7.6467  106.769 4.6730  -5.659088      8.961574  
1 1 1 -2  80  21 o 41.245  5.1052  973.909    223.190  1211.17    478.536  907.948    252.314  42.841  10.414  39.354  6.1182  3.487717       12.07851  
1 1 1 -2  80  22 o 22.156  7.5220  285.056    215.443  -77.3456   453.601  390.625    244.820  20.837  9.4173  25.239  7.9900  -4.401932      12.35017  
1 1 1 -2  80  23 o 21.079  7.7449  241.781    232.059  393.515    455.499  188.593    269.681  26.563  10.567  20.527  8.1418  6.036062       13.33982  
1 1 1 -2  80  24 o 45.735  6.8795  1273.11    330.228  0.0000     0.0000   1273.11    330.228  ?       ?       45.735  6.8795  0.000000       6.879502  
1 1 1 -2  81  1  o 78.900  2.8713  3380.30    245.375  3350.20    349.430  3409.58    344.644  78.328  4.1334  79.036  4.0395  -0.7074966     5.779545  
1 1 1 -2  81  2  o 119.828 3.0053  7799.08    390.041  7772.90    553.943  7824.83    549.289  119.444 4.2818  119.851 4.2315  -0.4067612     6.019910  
1 1 1 -2  81  3  o 109.726 2.9403  6539.21    349.436  6322.56    495.447  6753.64    492.916  107.724 4.2463  111.360 4.0867  -3.636551      5.893426  
1 1 1 -2  81  4  o 66.504  2.8398  2401.90    204.555  2421.79    297.132  2383.97    282.029  66.548  4.1429  66.051  3.9605  0.4961548      5.731437  
1 1 1 -2  81  5  o 76.765  2.8462  3200.61    236.646  3343.92    336.166  3059.83    333.189  78.257  3.9792  74.826  4.1271  3.430710       5.732993  
1 1 1 -2  81  6  o 52.143  3.2898  1484.17    184.847  1476.45    267.068  1491.26    256.103  51.774  4.8179  52.075  4.5875  -0.3016663     6.652569  
1 1 1 -2  81  7  o 101.431 2.9926  5590.92    328.769  5505.40    470.431  5672.58    459.656  100.464 4.3233  102.005 4.1604  -1.541054      6.000002  
1 1 1 -2  81  8  o 183.577 3.7118  18353.13   738.018  17963.00   1045.44  18740.71   1042.00  181.079 5.3304  185.008 5.2000  -3.929550      7.446733  
1 1 1 -2  81  9  o 121.018 3.0786  7963.92    403.527  7940.17    576.533  7986.74    564.988  120.577 4.4146  120.953 4.3127  -0.3763199     6.171566  
1 1 1 -2  81  10 o 71.755  3.1153  2800.99    242.112  2723.07    358.555  2866.30    328.244  70.388  4.7306  72.332  4.2080  -1.944160      6.331384  
1 1 1 -2  81  11 o 121.389 3.0917  8018.72    406.490  7739.32    580.398  8287.72    569.486  118.933 4.5056  123.139 4.2699  -4.205658      6.207457  
1 1 1 -2  81  12 o 157.465 3.3690  13512.29   574.584  14003.01   823.814  13047.45   801.803  159.802 4.7597  154.237 4.7996  5.564911       6.759508  
1 1 1 -2  81  13 o 94.007  3.1910  4815.12    324.901  4512.77    470.143  5091.52    449.511  90.535  4.8118  96.427  4.3040  -5.892090      6.455789  
1 1 1 -2  81  14 o 114.110 3.1937  7099.25    394.721  7098.46    570.031  7099.97    547.113  113.685 4.6294  113.760 4.4403  -0.7577515E-01 6.414676  
1 1 1 -2  81  15 o 48.491  4.2978  1299.64    223.383  1454.12    342.226  1184.96    294.863  50.736  6.3680  45.812  6.0937  4.923962       8.813838  
1 1 1 -2  81  16 o 68.523  3.7272  2578.42    275.583  2329.79    413.606  2776.92    369.569  64.415  5.9972  70.788  4.8495  -6.373024      7.712579  
1 1 1 -2  81  17 o 44.199  5.0619  1096.51    237.953  1243.93    368.173  990.748    311.834  46.163  7.6301  41.241  7.2455  4.922306       10.52216  
1 1 1 -2  81  18 o 47.985  2.3165  1254.81    120.395  1378.51    472.707  1246.23    124.501  47.327  9.5510  47.747  2.4153  -0.4200592     9.851632  
1 1 1 -2  81  19 o 88.143  3.6950  4289.81    352.758  4443.38    560.043  4188.81    454.178  88.242  5.8936  86.365  4.8753  1.877449       7.648716  
1 1 1 -2  81  20 o 28.690  7.7120  504.038    244.806  580.253    399.672  458.274    309.702  30.404  10.246  27.443  9.0128  2.961441       13.64559  
1 1 1 -2  81  21 o 45.107  2.6437  1118.91    128.596  1711.96    502.981  1077.44    133.017  52.014  9.2679  44.222  2.7915  7.792053       9.679192  
1 1 1 -2  81  22 o 17.580  7.2835  85.502     226.933  167.893    447.491  56.977     263.302  23.479  10.005  18.040  7.6806  5.439051       12.61319  
1 1 1 -2  81  23 o 34.752  1.6902  658.074    63.621   0.0000     0.0000   658.074    63.621   ?       ?       34.752  1.6902  0.000000       1.690248  
1 1 1 -2  81  24 f 16.340  7.4108  -86.3919   283.775  0.0000     0.0000   -86.3919   283.775  ?       ?       16.340  7.4108  0.000000       7.410806  
1 1 1 -2  82  1  o 48.144  3.2348  1265.45    167.701  1390.07    234.444  1134.88    239.982  50.314  4.3447  45.317  4.9709  4.996723       6.601991  
1 1 1 -2  82  2  o 52.903  3.1036  1525.99    177.054  1403.44    258.744  1633.91    242.801  50.481  4.7896  54.609  4.1357  -4.128300      6.328088  
1 1 1 -2  82  3  o 66.808  2.9359  2424.60    212.443  2530.33    302.876  2322.21    298.062  68.024  4.1304  65.137  4.2481  2.886940       5.925114  
1 1 1 -2  82  4  f 81.702  2.8839  3625.94    255.202  3783.60    369.564  3482.23    352.836  83.331  4.0946  79.840  4.0939  3.490219       5.790199  
1 1 1 -2  82  5  o 90.027  2.8735  4402.84    280.193  4414.78    396.625  4390.94    395.881  90.010  4.0684  89.766  4.0718  0.2437897      5.755938  
1 1 1 -2  82  6  o 84.024  2.8954  3835.87    263.500  3945.38    377.778  3732.12    367.716  85.075  4.0998  82.744  4.1030  2.331703       5.800286  
1 1 1 -2  82  7  o 117.324 3.0689  7483.14    389.979  7187.04    559.973  7762.00    543.427  114.726 4.5065  119.290 4.2060  -4.563957      6.164291  
1 1 1 -2  82  8  o 142.406 3.2412  11032.53   499.929  11287.05   709.546  10781.62   704.494  143.720 4.5582  140.445 4.6313  3.275024       6.498133  
1 1 1 -2  82  9  o 116.640 3.0677  7399.85    387.554  7321.22    550.261  7477.25    545.934  115.755 4.3889  117.001 4.3080  -1.245895      6.149951  
1 1 1 -2  82  10 o 119.622 3.0851  7786.06    399.714  7912.47    573.645  7666.76    557.272  120.295 4.4028  118.428 4.3445  1.867653       6.185410  
1 1 1 -2  82  11 o 87.652  2.9699  4180.52    281.948  4327.67    407.640  4045.56    390.388  88.965  4.2305  86.024  4.1899  2.940697       5.954180  
1 1 1 -2  82  12 o 24.153  6.5376  334.558    175.204  124.124    264.744  498.537    233.702  20.128  8.0405  29.323  7.3676  -9.195221      10.90550  
1 1 1 -2  82  13 o 30.658  5.9463  537.193    190.328  528.777    296.704  543.077    248.100  30.139  8.6417  30.533  7.5456  -0.3938847     11.47241  
1 1 1 -2  82  14 o 108.588 3.2006  6430.19    376.424  6411.62    544.820  6447.16    520.687  108.014 4.6570  108.386 4.4354  -0.3723145     6.431190  
1 1 1 -2  82  15 o 66.998  3.7072  2463.12    267.966  2082.76    414.497  2736.24    351.233  60.790  6.3911  70.373  4.6340  -9.583302      7.894280  
1 1 1 -2  82  16 o 43.452  5.0983  1058.67    235.378  851.563    364.287  1207.10    308.400  37.648  9.0463  46.028  6.3557  -8.380043      11.05578  
1 1 1 -2  82  17 o 46.145  4.7599  1192.43    234.484  1146.91    348.083  1230.26    317.274  44.194  7.5426  46.242  6.5154  -2.047806      9.967003  
1 1 1 -2  82  18 o 83.539  3.0069  3824.14    272.070  3557.68    517.840  3925.74    319.759  78.948  6.1034  84.469  3.4951  -5.520645      7.033279  
1 1 1 -2  82  19 o 48.443  5.1057  1332.32    263.857  1404.26    438.660  1291.53    330.289  47.737  8.8085  46.942  6.6851  0.7952576      11.05802  
1 1 1 -2  82  20 o 16.367  7.1090  -1.3258    234.313  -220.7838  382.294  130.722    296.543  17.942  8.3068  20.340  8.3665  -2.397675      11.78987  
1 1 1 -2  82  21 o 36.130  6.1400  771.270    231.675  320.607    476.342  910.904    265.148  26.166  10.665  39.158  6.4782  -12.99199      12.47816  
1 1 1 -2  82  22 o 14.227  6.4276  -76.9708   211.090  -21.3096   443.336  -93.2893   240.047  21.092  9.4394  15.001  6.8082  6.091406       11.63851  
1 1 1 -2  82  23 o 25.038  8.2117  391.414    257.126  0.0000     0.0000   391.414    257.126  ?       ?       25.038  8.2117  0.000000       8.211681  
1 1 1 -2  83  1  o 50.204  3.1018  1374.96    167.841  1281.14    240.003  1464.77    234.809  48.229  4.6522  51.668  4.2330  -3.439323      6.289792  
1 1 1 -2  83  2  o 98.148  2.8635  5232.60    304.407  4865.92    428.379  5606.62    432.644  94.485  4.1860  101.459 3.9370  -6.974304      5.746535  
1 1 1 -2  83  3  o 145.489 3.2398  11508.31   510.525  11605.88   730.389  11415.11   713.877  145.808 4.6249  144.621 4.5574  1.186630       6.493085  
1 1 1 -2  83  4  o 140.333 3.1765  10706.33   482.807  10765.94   686.901  10648.13   678.757  140.445 4.5156  139.682 4.4865  0.7635803      6.365458  
1 1 1 -2  83  5  o 89.651  2.8874  4367.00    280.372  4330.81    396.956  4403.03    396.057  89.127  4.1121  89.873  4.0687  -0.7463913     5.784784  
1 1 1 -2  83  6  o 102.438 2.9531  5703.19    327.649  6180.32    474.516  5268.40    452.966  106.457 4.1154  98.266  4.2559  8.190933       5.920211  
1 1 1 -2  83  7  o 18.352  6.1757  173.998    145.209  201.423    214.314  150.723    197.436  20.704  7.4677  18.962  7.1100  1.742102       10.31104  
1 1 1 -2  83  8  o 72.319  2.9812  2844.02    233.514  2868.05    333.598  2820.93    326.979  72.345  4.2764  71.756  4.2259  0.5890656      6.012126  
1 1 1 -2  83  9  o 69.357  3.1343  2617.75    235.452  2752.63    336.239  2487.97    329.814  70.823  4.4052  67.288  4.5523  3.535316       6.334702  
1 1 1 -2  83  10 o 33.050  5.0696  612.869    175.683  628.072    250.953  598.257    246.027  32.993  7.2229  32.187  7.2334  0.8061981      10.22221  
1 1 1 -2  83  11 o 79.319  3.1454  3426.24    270.224  3115.15    393.207  3704.66    371.985  75.194  4.8539  82.198  4.1922  -7.003746      6.413634  
1 1 1 -2  83  12 o 85.547  3.0599  3986.07    283.521  4192.92    420.457  3813.58    383.943  87.348  4.4591  83.344  4.2676  4.003342       6.172194  
1 1 1 -2  83  13 o 51.991  3.8585  1486.10    215.727  1451.36    322.051  1514.38    290.545  50.854  5.9599  52.170  5.2116  -1.315792      7.917196  
1 1 1 -2  83  14 o 75.087  3.4800  3079.52    283.018  2791.33    432.346  3295.60    374.380  70.775  5.6881  77.335  4.4889  -6.559929      7.245982  
1 1 1 -2  83  15 o 62.570  3.8420  2153.33    259.115  2281.60    406.192  2065.32    336.465  63.745  5.9521  60.900  5.1492  2.844952       7.870275  
1 1 1 -2  83  16 o 73.125  3.8153  2943.95    301.130  2949.95    461.095  2939.48    397.641  72.373  5.9344  72.612  5.0882  -0.2385864     7.817115  
1 1 1 -2  83  17 f 117.320 3.3576  7553.44    426.653  7059.28    649.537  7928.46    565.841  112.291 5.3406  119.654 4.3661  -7.362404      6.898185  
1 1 1 -2  83  18 o 41.107  5.6391  970.906    244.453  984.306    416.279  963.853    302.011  39.362  9.8017  40.271  7.1878  -0.9088669     12.15470  
1 1 1 -2  83  19 o 41.916  5.6384  1012.03    249.486  860.875    428.110  1089.77    307.005  36.365  10.365  42.956  6.8271  -6.590084      12.41150  
1 1 1 -2  83  20 o 50.451  5.4072  1459.48    290.862  914.836    460.049  1822.16    375.416  36.947  10.809  55.893  6.3119  -18.94609      12.51731  
1 1 1 -2  83  21 o 22.624  7.5709  300.671    218.222  108.836    459.250  356.616    248.009  23.033  9.9786  24.345  8.0687  -1.311398      12.83263  
1 1 1 -2  83  22 o 14.807  6.5956  -44.3509   213.744  -246.4718  447.438  15.412     243.300  18.961  8.8489  16.727  7.2548  2.234148       11.44268  
1 1 1 -2  83  23 o 18.576  7.9928  55.341     290.625  0.0000     0.0000   55.341     290.625  ?       ?       18.576  7.9928  0.000000       7.992845  
1 1 1 -2  84  1  o 23.642  5.3232  317.980    133.030  237.746    185.218  403.470    191.189  21.188  6.9705  26.556  6.6592  -5.368069      9.640142  
1 1 1 -2  84  2  o 67.929  2.8553  2506.91    210.079  2611.09    302.443  2409.78    292.023  69.097  4.0590  66.367  4.0823  2.729996       5.756799  
1 1 1 -2  84  3  o 83.261  2.8109  3766.04    253.484  3792.57    366.830  3741.79    350.678  83.412  4.0604  82.872  3.9069  0.5402832      5.634736  
1 1 1 -2  84  4  o 67.449  3.0120  2472.83    220.041  2244.25    319.434  2679.23    303.543  63.930  4.6450  69.993  4.0209  -6.063656      6.143585  
1 1 1 -2  84  5  o 15.082  5.8029  83.545     133.569  -59.9483   229.539  157.009    164.239  15.721  6.9271  18.260  6.5427  -2.538786      9.528455  
1 1 1 -2  84  6  o 62.698  3.0968  2137.88    210.298  2145.25    306.211  2131.30    289.319  62.491  4.5555  62.333  4.3119  0.1583176      6.272547  
1 1 1 -2  84  7  o 67.961  3.0239  2511.84    222.584  2547.76    320.901  2478.53    309.000  68.152  4.3703  67.236  4.2652  0.9156952      6.106696  
1 1 1 -2  84  8  o 47.403  3.5523  1231.19    181.057  1314.16    260.193  1153.31    252.104  48.715  5.0024  45.561  5.2020  3.153702       7.216983  
1 1 1 -2  84  9  o 22.463  6.2229  287.250    156.614  286.511    236.439  287.828    209.053  23.328  7.8802  22.973  7.3952  0.3550377      10.80678  
1 1 1 -2  84  10 o 24.737  6.0808  351.352    161.774  425.621    242.346  291.658    217.269  27.233  7.8106  23.172  7.5460  4.061413       10.86032  
1 1 1 -2  84  11 o 43.715  4.0382  1053.67    189.040  1013.92    292.324  1082.25    247.837  42.255  6.6033  44.032  5.3034  -1.776863      8.469320  
1 1 1 -2  84  12 o 20.051  6.8290  208.989    177.579  -2.5586    273.507  363.153    233.483  18.072  7.7643  25.330  7.7699  -7.258883      10.98437  
1 1 1 -2  84  13 o 14.236  6.2086  -28.5190   180.231  -175.1281  294.577  59.198     227.856  16.346  7.4661  17.685  7.3103  -1.339386      10.44910  
1 1 1 -2  84  14 o 39.829  5.2282  891.024    220.088  929.997    357.661  867.273    279.210  39.655  8.5769  38.796  6.8974  0.8582458      11.00618  
1 1 1 -2  84  15 o 44.994  4.8272  1130.91    231.570  1038.42    373.644  1188.59    295.072  41.807  8.5402  45.736  6.1093  -3.929035      10.50042  
1 1 1 -2  84  16 o 35.107  6.0123  710.587    220.396  809.944    357.478  649.664    279.927  36.410  9.0922  32.921  7.9421  3.488651       12.07249  
1 1 1 -2  84  17 o 41.225  2.2901  929.494    101.851  979.067    404.481  926.138    105.242  39.524  9.5543  41.136  2.3722  -1.611885      9.844345  
1 1 1 -2  84  18 o 82.176  3.5733  3723.86    318.041  3898.95    492.168  3598.33    416.739  82.908  5.5123  80.058  4.8287  2.849884       7.328114  
1 1 1 -2  84  19 o 15.901  6.9202  -7.7557    222.884  144.105    398.756  -76.7585   268.793  22.722  9.5517  16.345  7.3300  6.376232       12.04012  
1 1 1 -2  84  20 o 32.581  1.7441  579.520    61.322   284.412    433.226  585.554    61.946   25.159  10.202  32.749  1.7527  -7.590538      10.35141  
1 1 1 -2  84  21 o 18.145  7.2383  127.786    214.270  -60.0920   456.729  180.806    242.627  21.032  9.4826  19.952  7.7805  1.079611       12.26602  
1 1 1 -2  84  22 o 20.091  7.6869  199.444    233.551  -54.6428   463.962  285.680    270.295  21.049  9.5176  22.611  8.3502  -1.561821      12.66142  
1 1 1 -2  84  23 o 26.969  9.3955  462.959    336.806  0.0000     0.0000   462.959    336.806  ?       ?       26.969  9.3955  0.000000       9.395477  
1 1 1 -2  85  1  o 15.566  5.6325  110.562    122.067  -68.7995   176.419  275.297    169.073  13.413  5.9821  22.180  6.5708  -8.767069      8.886024  
1 1 1 -2  85  2  o 52.109  3.1074  1481.62    174.584  1639.17    252.609  1337.56    241.560  54.639  4.3033  49.275  4.5785  5.364136       6.283367  
1 1 1 -2  85  3  o 85.270  2.8409  3951.17    262.373  4039.28    379.611  3870.58    363.047  86.060  4.0725  84.258  3.9782  1.802704       5.693102  
1 1 1 -2  85  4  o 22.198  5.8933  280.441    144.060  226.866    199.801  338.450    207.903  21.100  7.2429  24.533  7.2907  -3.433239      10.27686  
1 1 1 -2  85  5  o 84.100  2.8869  3844.72    262.965  3899.36    371.875  3790.07    371.901  84.541  4.0613  83.338  4.1201  1.202156       5.785283  
1 1 1 -2  85  6  o 140.261 3.2234  10706.22   489.697  10701.82   696.384  10710.51   688.752  139.881 4.5964  139.954 4.5437  -0.7254028E-01 6.463139  
1 1 1 -2  85  7  o 23.661  5.9297  320.376    151.657  268.008    224.752  364.153    205.490  22.659  7.6829  25.274  7.1732  -2.615147      10.51104  
1 1 1 -2  85  8  o 22.841  6.2164  297.627    157.902  11.103     239.590  517.639    209.948  17.246  7.3343  30.011  6.6352  -12.76496      9.890318  
1 1 1 -2  85  9  o 39.431  4.2047  859.529    176.804  889.194    264.359  835.521    237.818  39.616  6.3775  38.497  5.8909  1.118507       8.681912  
1 1 1 -2  85  10 o 23.130  6.2762  306.271    161.240  467.458    242.300  178.163    216.012  28.408  7.6877  20.063  7.4537  8.344810       10.70790  
1 1 1 -2  85  11 o 25.578  6.0654  376.551    165.482  193.875    253.948  511.369    218.161  21.310  8.0482  29.718  6.9088  -8.407475      10.60687  
1 1 1 -2  85  12 o 14.796  6.0813  42.662     156.515  -332.5354  270.347  231.819    191.956  13.805  6.5732  20.988  7.1003  -7.183329      9.675827  
1 1 1 -2  85  13 f 67.183  3.4979  2472.69    253.649  2327.94    387.167  2581.54    335.734  64.605  5.5880  68.379  4.5593  -3.774490      7.212035  
1 1 1 -2  85  14 o 78.322  3.4136  3354.26    289.581  3260.09    437.625  3427.61    386.232  76.523  5.3130  78.757  4.5472  -2.234207      6.993196  
1 1 1 -2  85  15 o 45.915  4.7658  1179.19    233.553  1272.23    375.675  1120.57    298.179  46.594  7.7139  44.187  6.4180  2.407162       10.03472  
1 1 1 -2  85  16 o 39.667  1.8371  855.591    78.930   645.356    366.782  865.800    80.824   32.330  9.7010  39.900  1.8702  -7.570457      9.879625  
1 1 1 -2  85  17 o 36.805  6.2329  790.480    239.595  754.965    399.138  810.486    299.572  34.450  10.065  36.604  7.7951  -2.153748      12.73094  
1 1 1 -2  85  18 o 43.922  5.2954  1101.37    246.829  877.484    403.294  1235.46    312.113  36.993  9.8791  46.017  6.4385  -9.024040      11.79202  
1 1 1 -2  85  19 o 39.893  6.3980  936.954    267.100  750.441    423.811  1059.85    344.021  33.835  10.483  41.660  7.9136  -7.824703      13.13476  
1 1 1 -2  85  20 o 17.058  1.8589  160.404    33.788   132.520    421.901  160.585    33.897   22.742  9.7035  17.067  1.8640  5.675112       9.880952  
1 1 1 -2  85  21 o 16.476  6.9650  48.779     213.942  70.819     457.180  42.599     242.084  22.417  9.8293  17.192  7.3433  5.224575       12.26940  
1 1 1 -2  85  22 f 38.663  2.0413  818.789    85.177   0.0000     0.0000   818.789    85.177   ?       ?       38.663  2.0413  0.000000       2.041260  
1 1 1 -2  86  1  o 35.934  3.7900  711.395    145.286  657.511    208.800  761.970    202.286  34.126  5.8601  36.941  5.1996  -2.815239      7.834332  
1 1 1 -2  86  2  o 189.902 3.8043  19655.69   782.478  19018.61   1108.45  20288.51   1104.74  186.151 5.4977  192.355 5.3026  -6.203461      7.638196  
1 1 1 -2  86  3  o 202.680 3.9481  22403.46   866.708  22111.51   1227.85  22693.38   1223.58  200.620 5.6507  203.290 5.5571  -2.670166      7.925371  
1 1 1 -2  86  4  f 136.055 3.1564  10071.25   465.137  9987.85    662.215  10152.46   653.477  135.161 4.5235  136.298 4.4266  -1.136581      6.329063  
1 1 1 -2  86  5  o 150.826 3.3269  12385.45   543.487  11970.63   771.070  12795.01   766.167  147.848 4.8151  152.920 4.6258  -5.071548      6.677092  
1 1 1 -2  86  6  o 116.533 3.0050  7387.51    379.281  7164.68    539.144  7605.83    533.668  114.480 4.3482  117.995 4.1758  -3.514839      6.028574  
1 1 1 -2  86  7  o 96.708  2.9426  5087.74    308.227  5218.67    441.882  4963.67    430.152  97.723  4.1749  95.307  4.1670  2.415886       5.898617  
1 1 1 -2  86  8  o 45.487  3.7991  1137.05    185.459  1053.34    277.417  1204.69    249.377  43.267  6.0881  46.585  5.0218  -3.317238      7.892015  
1 1 1 -2  86  9  o 69.314  3.1153  2616.60    233.878  2631.78    341.261  2603.15    321.160  69.142  4.5829  68.823  4.3305  0.3186646      6.305265  
1 1 1 -2  86  10 o 28.017  5.6902  448.510    166.776  499.225    250.115  407.910    223.788  29.300  7.7587  26.604  7.4632  2.696308       10.76557  
1 1 1 -2  86  11 o 61.141  3.4097  2045.77    224.899  1991.13    325.191  2095.87    311.369  59.942  5.0561  61.601  4.7023  -1.659424      6.904720  
1 1 1 -2  86  12 o 84.110  2.7936  3852.36    254.495  3894.58    421.431  3828.12    319.288  84.041  4.6479  83.710  3.5216  0.3307724      5.831322  
1 1 1 -2  86  13 o 69.855  3.5449  2675.60    267.327  2792.37    396.733  2578.50    361.794  70.871  5.2049  68.180  4.9326  2.691147       7.170884  
1 1 1 -2  86  14 o 46.056  4.5607  1181.74    224.512  1349.47    348.255  1062.46    293.688  48.465  6.8233  43.027  6.5050  5.437988       9.427205  
1 1 1 -2  86  15 o 32.395  6.4695  613.428    219.052  602.350    362.533  619.798    274.911  31.464  9.6870  32.115  7.9467  -0.6504765     12.52949  
1 1 1 -2  86  16 o 21.026  1.4942  241.307    33.805   401.452    382.276  240.045    33.938   27.083  9.9419  20.969  1.5043  6.113449       10.05509  
1 1 1 -2  86  17 o 71.880  3.8839  2865.01    301.251  3257.14    477.784  2606.25    388.123  75.542  5.8859  67.852  5.3240  7.690201       7.936540  
1 1 1 -2  86  18 o 17.274  7.2167  62.373     225.464  237.975    401.699  -18.3903   272.421  24.211  9.8216  17.311  7.5891  6.899384       12.41202  
1 1 1 -2  86  19 o 48.039  5.4731  1327.20    279.691  1017.52    440.609  1536.20    361.970  39.266  10.250  51.014  6.7142  -11.74791      12.25354  
1 1 1 -2  86  20 o 14.598  6.8087  -195.7206  264.276  -179.9397  402.986  -207.6286  350.061  18.689  8.6088  17.055  7.9148  1.634228       11.69431  
1 1 1 -2  86  21 o 61.198  4.9279  2139.59    323.876  1501.57    557.193  2465.16    398.022  46.362  11.218  65.159  5.6971  -18.79662      12.58145  
1 1 1 -2  86  22 o 44.798  7.0428  1218.52    330.450  0.0000     0.0000   1218.52    330.450  ?       ?       44.798  7.0428  0.000000       7.042828  
1 1 1 -2  87  1  o 109.678 2.9481  6541.28    350.208  6437.65    494.284  6645.75    496.260  108.577 4.2031  110.329 4.1529  -1.751808      5.908684  
1 1 1 -2  87  2  o 21.291  5.7328  257.773    135.140  133.375    201.593  359.301    182.121  18.619  7.1373  25.050  6.6147  -6.430889      9.731161  
1 1 1 -2  87  3  o 57.910  3.0211  1829.09    188.834  1859.34    278.293  1803.27    257.072  58.150  4.4524  57.315  4.1697  0.8348427      6.099991  
1 1 1 -2  87  4  o 12.675  5.3091  15.590     122.468  63.532     189.381  -18.8688   160.559  16.560  6.7342  13.634  5.9034  2.926124       8.955405  
1 1 1 -2  87  5  o 16.896  5.9278  139.758    134.181  172.564    195.219  110.380    184.737  19.450  7.1100  17.526  6.8017  1.924110       9.839441  
1 1 1 -2  87  6  o 83.313  2.9163  3775.76    263.154  3723.27    375.728  3826.29    368.685  82.426  4.2228  83.693  4.0672  -1.266869      5.862967  
1 1 1 -2  87  7  o 79.258  3.0654  3419.62    263.149  3419.73    379.065  3419.52    365.599  78.911  4.4533  78.948  4.2917  -0.3651428E-01 6.184715  
1 1 1 -2  87  8  o 62.272  3.2418  2118.54    217.898  2170.65    321.455  2074.24    296.378  62.722  4.7675  61.370  4.4900  1.351677       6.548979  
1 1 1 -2  87  9  o 41.098  4.0111  932.148    176.272  1120.88    252.410  752.480    246.277  44.817  5.3026  36.302  6.5024  8.514973       8.390391  
1 1 1 -2  87  10 o 85.126  3.0343  3947.18    279.765  4231.81    408.491  3695.73    383.944  87.887  4.2913  82.012  4.3378  5.875450       6.101771  
1 1 1 -2  87  11 o 101.010 3.0670  5561.38    335.549  5620.34    480.554  5505.27    468.744  101.205 4.3840  100.183 4.3199  1.022392       6.154748  
1 1 1 -2  87  12 o 94.000  2.9344  4816.81    298.759  5080.38    480.906  4651.15    381.256  96.072  4.6216  92.160  3.8195  3.912262       5.995616  
1 1 1 -2  87  13 o 23.186  7.0775  306.777    194.004  303.836    315.934  308.557    245.807  24.708  9.0430  23.788  8.0348  0.9202480      12.09688  
1 1 1 -2  87  14 o 23.338  7.2398  312.629    202.062  556.819    322.118  154.200    259.459  30.434  9.0819  20.304  8.0074  10.12955       12.10783  
1 1 1 -2  87  15 o 31.831  6.7875  599.279    226.861  522.828    396.913  636.372    276.471  29.695  10.208  32.434  7.9352  -2.739187      12.92916  
1 1 1 -2  87  16 o 60.315  2.7164  1989.56    177.457  2036.31    444.098  1980.68    193.584  59.034  7.0872  60.122  2.9728  -1.088173      7.685427  
1 1 1 -2  87  17 o 75.083  3.8667  3126.78    313.380  3193.25    499.785  3083.71    402.288  74.489  6.2525  73.951  5.0528  0.5385666      8.038938  
1 1 1 -2  87  18 f 105.005 3.6347  6096.17    413.382  5661.52    631.458  6422.14    546.849  99.402  5.8914  107.027 4.7174  -7.624802      7.547392  
1 1 1 -2  87  19 o 23.182  8.2671  302.577    261.930  102.584    431.151  419.566    329.758  22.574  9.7242  26.453  9.2921  -3.878511      13.44999  
1 1 1 -2  87  20 o 21.651  8.1440  243.398    259.442  349.757    416.621  176.026    331.582  25.748  10.149  21.610  8.8631  4.137823       13.47434  
1 1 1 -2  87  21 o 38.180  7.3187  894.986    291.636  587.371    503.022  1050.74    357.932  30.083  11.335  40.735  8.3919  -10.65273      14.10353  
1 1 1 -2  88  1  o 45.211  3.3261  1118.97    161.730  1183.48    232.788  1058.77    224.860  46.261  4.7117  43.706  4.8309  2.555191       6.748140  
1 1 1 -2  88  2  o 75.411  2.9661  3093.30    242.267  2961.14    352.101  3212.13    333.860  73.451  4.4469  76.598  4.0384  -3.147591      6.006955  
1 1 1 -2  88  3  o 63.516  3.0718  2195.25    211.321  2152.63    311.624  2231.54    287.534  62.540  4.6334  63.775  4.1859  -1.234741      6.244237  
1 1 1 -2  88  4  o 99.335  2.9406  5367.82    316.378  5495.29    456.458  5249.97    438.910  100.273 4.2029  98.024  4.1340  2.249161       5.895264  
1 1 1 -2  88  5  o 51.868  3.3169  1471.47    185.363  1600.62    275.105  1364.08    250.856  53.833  4.7675  49.674  4.7192  4.158512       6.708235  
1 1 1 -2  88  6  o 143.597 3.2740  11234.00   509.204  11181.35   726.495  11284.85   713.915  142.809 4.6969  143.507 4.5931  -0.6977386     6.569396  
1 1 1 -2  88  7  o 61.814  3.1741  2086.76    211.790  2057.43    307.347  2113.28    292.256  61.076  4.6818  61.972  4.3823  -0.8966446     6.412776  
1 1 1 -2  88  8  o 74.600  3.0153  3030.38    243.633  2877.40    348.484  3176.65    340.745  72.324  4.4706  76.084  4.1506  -3.760498      6.100281  
1 1 1 -2  88  9  o 118.768 3.0673  7684.17    394.573  7772.67    560.573  7597.27    555.482  119.099 4.3456  117.744 4.3557  1.354675       6.152794  
1 1 1 -2  88  10 o 66.134  3.2817  2385.93    235.070  2513.83    340.925  2270.02    324.556  67.472  4.6944  64.097  4.7080  3.374771       6.648480  
1 1 1 -2  88  11 o 41.739  4.3893  967.121    195.455  810.778    284.682  1106.54    268.829  37.375  7.2944  44.319  5.7348  -6.944706      9.278763  
1 1 1 -2  88  12 o 47.739  4.4833  1265.71    229.098  1653.21    347.730  968.491    304.536  54.117  6.0353  40.893  7.1353  13.22394       9.345421  
1 1 1 -2  88  13 o 43.814  4.6523  1073.14    217.398  1222.51    345.816  975.539    279.543  45.876  7.1965  41.151  6.4867  4.724617       9.688533  
1 1 1 -2  88  14 o 42.868  5.0431  1037.53    229.677  1010.31    373.773  1054.04    291.124  40.766  8.7285  42.658  6.5070  -1.891850      10.88699  
1 1 1 -2  88  15 o 62.371  4.0001  2158.72    268.798  2257.88    412.464  2085.52    354.388  62.793  6.1433  60.680  5.4503  2.112911       8.212550  
1 1 1 -2  88  16 o 88.661  3.1324  4314.67    300.801  4480.88    549.318  4243.48    359.489  88.805  5.7418  87.657  3.7864  1.147461       6.877890  
1 1 1 -2  88  17 o 59.779  4.3797  2000.82    281.602  1611.52    434.019  2283.86    370.071  51.678  8.0137  63.338  5.4475  -11.66026      9.689922  
1 1 1 -2  88  18 o 24.910  8.1530  370.997    253.515  791.097    423.719  136.762    316.393  34.623  10.435  20.845  8.6152  13.77773       13.53209  
1 1 1 -2  88  19 o 19.327  7.8756  128.855    259.688  410.756    426.818  -36.8355   327.223  27.006  10.378  18.426  8.1868  8.580664       13.21808  
1 1 1 -2  88  20 o 70.305  4.3473  2784.80    329.413  2526.20    529.377  2948.21    420.810  64.330  7.7539  71.550  5.4716  -7.219696      9.490079  
1 1 1 -2  88  21 o 35.770  9.2136  838.471    359.141  0.0000     0.0000   838.471    359.141  ?       ?       35.770  9.2136  0.000000       9.213604  
1 1 1 -2  89  1  o 37.413  3.8555  771.898    153.995  730.278    214.401  816.250    221.327  35.999  5.6878  38.143  5.5177  -2.143841      7.924381  
1 1 1 -2  89  2  f 87.012  2.8978  4118.53    273.100  4064.86    388.129  4171.15    384.342  86.240  4.1552  87.378  4.0611  -1.138153      5.810209  
1 1 1 -2  89  3  o 14.795  5.7308  78.185     130.951  234.626    195.017  -50.2706   176.716  21.183  7.1568  13.723  6.0605  7.460843       9.378130  
1 1 1 -2  89  4  o 112.417 2.9692  6877.42    361.529  7232.33    514.230  6530.55    508.379  115.020 4.1278  109.254 4.2961  5.765434       5.957786  
1 1 1 -2  89  5  o 105.321 2.9872  6037.71    340.761  5785.68    476.087  6302.46    487.950  102.827 4.2747  107.341 4.1970  -4.514030      5.990677  
1 1 1 -2  89  6  o 45.142  3.7584  1120.18    182.094  1248.21    254.797  986.520    260.333  47.404  5.0399  41.871  5.9043  5.532600       7.762868  
1 1 1 -2  89  7  o 30.492  5.2656  525.733    167.613  402.025    237.860  647.751    236.230  26.503  7.7779  33.572  6.7309  -7.069595      10.28594  
1 1 1 -2  89  8  o 20.846  6.3065  243.376    154.542  312.420    224.017  180.678    213.474  23.803  7.6545  20.045  7.4172  3.757681       10.65862  
1 1 1 -2  89  9  o 51.608  3.6075  1461.98    200.377  1598.24    295.262  1345.66    272.817  53.612  5.1481  49.139  5.2052  4.473385       7.320983  
1 1 1 -2  89  10 o 69.821  3.2452  2660.58    245.409  2567.90    355.085  2745.33    339.556  68.109  4.8451  70.546  4.4670  -2.437202      6.590073  
1 1 1 -2  89  11 o 27.297  1.4467  405.349    42.619   416.060    260.785  405.056    43.200   26.835  8.2084  27.285  1.4672  -0.4504089     8.338455  
1 1 1 -2  89  12 o 66.988  3.4511  2464.34    249.546  2405.92    372.045  2512.13    336.454  65.581  5.2825  67.261  4.6469  -1.679977      7.035545  
1 1 1 -2  89  13 o 53.860  4.0672  1608.64    235.517  1807.58    378.566  1483.03    300.821  56.222  6.3267  51.202  5.5112  5.019619       8.390475  
1 1 1 -2  89  14 o 61.863  4.0274  2123.00    268.380  2187.54    416.967  2077.35    350.676  61.754  6.3232  60.624  5.3970  1.129486       8.313277  
1 1 1 -2  89  15 o 22.912  7.7457  295.071    228.439  141.783    379.134  382.439    286.230  22.545  9.3834  25.709  8.6704  -3.164289      12.77597  
1 1 1 -2  89  16 o 58.180  2.6284  1851.33    165.628  1981.48    465.614  1832.48    177.219  57.743  7.6319  57.837  2.8290  -0.9437943E-01 8.139338  
1 1 1 -2  89  17 o 30.974  7.7222  588.195    258.166  422.787    436.594  677.127    320.130  27.670  10.528  32.822  8.8175  -5.151842      13.73272  
1 1 1 -2  89  18 o 71.124  4.1531  2829.15    318.541  2626.75    511.498  2957.37    407.126  66.452  7.2229  72.049  5.2533  -5.596916      8.931298  
1 1 1 -2  89  19 o 55.097  2.4815  1662.84    148.086  1159.09    484.611  1714.72    155.525  41.284  10.737  55.928  2.5674  -14.64399      11.03946  
1 1 1 -2  89  20 o 20.436  8.1120  180.034    267.900  83.488     441.444  236.322    337.065  22.329  9.7281  22.723  9.0741  -0.3939514     13.30322  
1 1 1 -2  90  1  o 59.690  2.9678  1938.98    191.872  1937.45    274.681  1940.44    268.135  59.356  4.3018  59.424  4.1929  -0.6836319E-01 6.007144  
1 1 1 -2  90  2  o 14.440  5.7664  59.231     136.121  44.580     195.787  72.939     189.382  16.346  6.7682  16.752  6.7618  -0.4050713     9.567216  
1 1 1 -2  90  3  o 64.972  2.9913  2297.72    210.504  2400.37    302.946  2201.89    292.713  66.105  4.2538  63.292  4.2953  2.812534       6.045197  
1 1 1 -2  90  4  o 62.315  3.1090  2114.66    209.835  2146.75    308.289  2086.96    286.419  62.420  4.5923  61.601  4.3202  0.8187714      6.304988  
1 1 1 -2  90  5  o 32.641  4.6773  595.756    160.629  619.706    220.984  568.927    233.893  32.897  6.4325  31.367  7.0555  1.530416       9.547581  
1 1 1 -2  90  6  o 59.306  3.3289  1923.41    212.969  1904.72    290.014  1945.28    313.751  58.760  4.5934  59.305  4.9292  -0.5445518     6.737682  
1 1 1 -2  90  7  o 22.036  6.3393  276.087    159.427  121.334    222.111  440.547    228.972  18.846  7.4162  27.571  7.4783  -8.725384      10.53207  
1 1 1 -2  90  8  o 49.568  3.5753  1348.97    190.657  1208.61    274.250  1480.25    265.235  46.443  5.5626  51.666  4.7944  -5.222755      7.343634  
1 1 1 -2  90  9  f 23.290  6.5215  311.771    171.039  542.565    247.834  101.875    236.347  30.438  7.5533  18.785  7.5640  11.65297       10.68956  
1 1 1 -2  90  10 o 94.913  3.0668  4916.31    315.273  5136.46    453.599  4710.56    438.511  96.646  4.3333  92.539  4.3751  4.107071       6.157846  
1 1 1 -2  90  11 o 67.568  3.3276  2498.29    243.529  2380.05    353.713  2604.84    335.788  65.336  5.0372  68.546  4.5487  -3.209900      6.787076  
1 1 1 -2  90  12 f 33.205  5.6912  633.491    197.314  574.644    304.670  676.004    258.959  30.844  8.7276  33.794  7.2891  -2.950094      11.37109  
1 1 1 -2  90  13 o 28.421  6.9811  480.405    213.344  270.673    343.814  611.725    272.056  24.170  9.3071  31.828  7.9229  -7.658484      12.22272  
1 1 1 -2  90  14 o 23.217  7.6145  307.849    221.089  261.832    355.372  336.907    282.395  24.127  9.4141  24.617  8.6016  -0.4896755     12.75197  
1 1 1 -2  90  15 o 23.890  8.1885  322.477    255.337  231.346    417.846  376.787    322.570  24.576  9.9994  25.869  9.1798  -1.292747      13.57408  
1 1 1 -2  90  16 o 15.501  1.9093  132.779    31.379   337.165    390.804  131.453    31.481   25.765  9.9224  15.419  1.9271  10.34521       10.10780  
1 1 1 -2  90  17 o 63.607  4.5333  2274.50    310.268  2039.76    524.386  2400.95    384.864  57.536  8.6851  64.786  5.5380  -7.249706      10.30053  
1 1 1 -2  90  18 o 30.041  7.7333  559.419    253.118  756.897    401.713  429.393    325.966  33.848  10.152  26.637  9.2451  7.210340       13.73047  
1 1 1 -2  90  19 o 70.675  2.8223  2745.43    216.040  1822.31    523.134  2935.24    237.212  53.320  9.4021  73.008  2.9998  -19.68811      9.869063  
1 1 1 -2  91  1  o 62.053  3.0222  2096.27    203.126  2020.91    284.648  2174.46    289.953  60.605  4.3657  62.894  4.2819  -2.289509      6.115068  
1 1 1 -2  91  2  o 19.685  6.0431  214.816    141.204  218.923    203.287  210.987    196.282  20.869  7.2977  20.506  7.1709  0.3634586      10.23121  
1 1 1 -2  91  3  o 55.595  3.1915  1689.23    191.370  1710.96    276.701  1669.31    264.956  55.675  4.6306  55.021  4.4851  0.6543922      6.446611  
1 1 1 -2  91  4  o 61.919  3.1253  2093.66    208.920  2076.02    308.055  2108.68    284.289  61.345  4.6715  61.922  4.2648  -0.5770912     6.325472  
1 1 1 -2  91  5  o 140.509 3.2563  10762.22   495.563  10310.73   706.567  11199.35   695.233  137.020 4.7610  142.912 4.4915  -5.891785      6.545295  
1 1 1 -2  91  6  o 109.859 3.0288  6575.18    360.391  6205.96    518.355  6920.65    501.409  106.347 4.5002  112.424 4.1178  -6.076363      6.099816  
1 1 1 -2  91  7  o 68.794  3.1811  2581.02    237.031  2743.66    338.144  2423.90    332.356  70.560  4.4473  66.247  4.6617  4.313629       6.442848  
1 1 1 -2  91  8  o 15.700  6.4188  55.039     173.230  163.138    267.741  -22.7971   227.192  20.890  8.1657  16.122  7.0015  4.767836       10.75632  
1 1 1 -2  91  9  o 80.223  3.1788  3514.53    276.205  3360.58    404.346  3649.20    378.190  77.888  4.8167  81.355  4.3073  -3.467171      6.461674  
1 1 1 -2  91  10 o 37.783  1.8320  775.529    74.973   865.626    278.300  768.479    77.851   38.617  6.9073  37.557  1.9203  1.060242       7.169255  
1 1 1 -2  91  11 o 27.520  6.7596  446.132    200.022  470.585    296.458  425.698    271.001  28.214  8.7721  26.946  8.3885  1.267544       12.13737  
1 1 1 -2  91  12 f 20.993  7.2915  235.089    202.779  297.576    310.343  188.537    267.867  24.204  8.9456  21.126  8.1926  3.077473       12.13029  
1 1 1 -2  91  13 o 60.452  3.9674  2025.89    258.325  2209.24    401.261  1896.10    337.589  62.229  6.0290  57.885  5.4487  4.343327       8.126310  
1 1 1 -2  91  14 o 67.330  4.0154  2515.85    291.497  2351.16    465.178  2622.34    374.044  63.637  6.8573  68.250  5.0968  -4.612675      8.543978  
1 1 1 -2  91  15 o 24.316  7.8278  346.744    234.225  246.748    383.696  406.140    295.717  24.185  9.6730  26.259  8.8132  -2.073921      13.08584  
1 1 1 -2  91  16 o 61.894  2.8786  2101.46    192.974  2602.81    452.040  1989.73    213.396  67.039  6.2995  60.021  3.2952  7.017208       7.109273  
1 1 1 -2  91  17 o 32.529  7.8625  654.528    273.947  949.146    427.650  449.496    356.754  37.958  10.189  27.344  9.6592  10.61407       14.03948  
1 1 1 -2  91  18 o 21.415  8.1480  228.396    261.511  423.886    396.713  78.169     347.766  26.961  10.084  20.492  8.7783  6.469311       13.36989  
1 1 1 -2  91  19 o ?       ?       -306.8226  31.201   474.430    440.502  -310.7619  31.280   28.117  10.604  ?       ?       0.000000       10.60450  
1 1 1 -2  92  1  o 47.704  3.3881  1247.13    173.918  1288.38    242.729  1203.60    249.318  48.231  4.7065  46.528  5.0272  1.702896       6.886542  
1 1 1 -2  92  2  o 116.527 3.0041  7394.48    379.151  7594.40    542.915  7204.15    529.728  117.763 4.2565  114.695 4.2642  3.067879       6.025054  
1 1 1 -2  92  3  o 130.792 3.0922  9320.12    438.046  9925.00    627.024  8743.45    612.222  134.593 4.3012  126.267 4.4766  8.325989       6.208121  
1 1 1 -2  92  4  o 57.210  3.0879  1788.58    190.631  1839.78    281.932  1745.47    258.743  57.726  4.5460  56.281  4.2766  1.445465       6.241433  
1 1 1 -2  92  5  o 25.241  5.9942  367.177    161.435  177.022    231.953  545.820    224.822  20.369  7.6920  30.674  6.9304  -10.30540      10.35359  
1 1 1 -2  92  6  o 50.314  3.4569  1388.97    187.242  1223.64    268.958  1544.46    260.829  46.756  5.4110  52.813  4.6059  -6.057270      7.105858  
1 1 1 -2  92  7  o 61.529  3.2434  2072.36    215.384  1850.80    313.800  2269.71    296.162  57.683  5.0743  64.150  4.2872  -6.467358      6.642944  
1 1 1 -2  92  8  o 79.752  3.2416  3475.25    280.006  3511.25    404.955  3442.28    387.593  79.641  4.7156  78.910  4.5543  0.7309341      6.555851  
1 1 1 -2  92  9  o 40.825  4.5987  931.356    199.800  747.200    303.468  1072.26    265.452  35.433  8.0858  43.476  5.7805  -8.042858      9.939502  
1 1 1 -2  92  10 o 77.868  3.3217  3321.78    280.149  3017.36    423.020  3559.60    373.893  73.364  5.3607  80.180  4.3213  -6.815453      6.885573  
1 1 1 -2  92  11 f 34.510  6.0018  688.660    216.192  496.819    307.468  876.250    304.043  28.806  8.9298  38.406  7.5782  -9.600502      11.71194  
1 1 1 -2  92  12 o 25.446  7.2021  383.564    207.440  264.835    317.977  471.533    273.705  23.624  8.9857  28.030  8.3732  -4.406389      12.28227  
1 1 1 -2  92  13 o 55.009  4.4216  1689.81    261.213  1750.55    393.340  1641.89    349.378  54.930  6.7536  53.482  6.1429  1.448071       9.129454  
1 1 1 -2  92  14 o 59.534  4.3539  1979.31    278.797  1821.02    449.732  2078.12    355.307  55.362  7.7094  60.485  5.4832  -5.123016      9.460432  
1 1 1 -2  92  15 o 25.551  7.8725  391.794    239.387  264.706    393.931  466.205    301.429  24.568  9.8101  27.678  8.8768  -3.110107      13.23013  
1 1 1 -2  92  16 o 44.730  1.7482  1088.87    84.697   479.729    397.426  1117.85    86.688   28.307  10.174  45.319  1.7661  -17.01182      10.32612  
1 1 1 -2  92  17 o 63.318  4.3512  2251.83    296.592  2426.00    469.013  2135.76    382.865  64.090  6.8632  60.765  5.8913  3.325008       9.044973  
1 1 1 -2  92  18 o 24.465  8.1494  358.375    252.877  462.107    404.360  291.748    324.068  27.748  10.219  23.691  9.0570  4.056866       13.65505  
1 1 1 -2  93  1  o 83.234  2.9316  3773.38    264.292  3453.61    379.776  4073.67    368.030  79.217  4.4442  86.285  3.9380  -7.068077      5.937931  
1 1 1 -2  93  2  o 24.137  6.0105  335.616    156.532  504.714    220.499  163.820    222.252  29.476  7.0091  19.819  7.5186  9.657637       10.27892  
1 1 1 -2  93  3  o 60.292  3.2524  1988.63    211.606  1551.17    315.630  2345.78    285.191  52.670  5.6196  65.325  4.0507  -12.65499      6.927335  
1 1 1 -2  93  4  o 32.667  4.3056  595.243    148.629  730.572    225.051  490.558    197.937  35.819  6.0140  29.127  6.4448  6.691965       8.815020  
1 1 1 -2  93  5  o 82.807  2.9219  3737.25    262.063  3572.73    373.404  3896.94    367.885  80.556  4.2952  84.315  4.0284  -3.759148      5.888693  
1 1 1 -2  93  6  o 72.763  3.0167  2888.29    237.748  2900.91    340.807  2876.31    331.826  72.509  4.3598  72.230  4.2604  0.2793961      6.095832  
1 1 1 -2  93  7  o 18.900  6.5016  185.519    161.035  115.685    250.876  234.454    210.010  19.400  7.7995  21.262  7.4184  -1.862232      10.76407  
1 1 1 -2  93  8  o 36.462  5.2443  752.740    201.149  866.977    296.570  655.417    273.737  38.455  7.3888  33.231  7.7480  5.223965       10.70636  
1 1 1 -2  93  9  o 53.187  3.9336  1565.10    224.993  1699.83    352.399  1472.38    292.330  54.682  6.0515  51.118  5.3597  3.564129       8.083758  
1 1 1 -2  93  10 o 51.839  4.2627  1494.81    237.217  1636.73    352.879  1377.81    320.416  53.503  6.2046  49.054  6.1671  4.449547       8.748089  
1 1 1 -2  93  11 o 84.313  3.3735  3901.76    308.070  3916.74    455.690  3889.15    418.088  83.646  5.0536  83.564  4.6375  0.8162689E-01  6.858975  
1 1 1 -2  93  12 o 96.813  3.2659  5143.64    342.461  4899.36    500.224  5359.14    469.829  93.568  4.9535  98.286  4.4135  -4.717407      6.634453  
1 1 1 -2  93  13 o 57.770  4.1371  1857.72    257.146  1709.77    402.231  1959.98    334.409  54.056  7.0369  58.844  5.3039  -4.788342      8.811941  
1 1 1 -2  93  14 o 89.511  3.6121  4420.16    350.189  4313.02    548.950  4493.67    454.734  86.957  5.8627  89.571  4.7038  -2.613663      7.516448  
1 1 1 -2  93  15 o 36.000  6.6614  769.206    250.173  655.456    411.019  836.146    315.307  31.987  10.377  36.863  8.1168  -4.876366      13.17429  
1 1 1 -2  93  16 o 26.147  1.2063  371.132    34.164   -83.5738   381.010  374.818    34.302   19.324  8.6915  26.276  1.2053  -6.952774      8.774646  
1 1 1 -2  93  17 o 23.311  7.9765  315.928    242.282  487.681    381.249  199.575    313.794  28.170  9.9816  21.818  8.7402  6.351456       13.26740  
1 1 1 -2  93  18 o 18.881  7.7551  112.080    254.323  -7.7459    424.914  178.968    317.466  21.066  9.3461  21.481  8.7252  -0.4143009     12.78590  
1 1 1 -2  94  1  o 125.331 3.0943  8566.99    420.038  8412.36    596.620  8718.95    591.460  123.730 4.4520  126.012 4.3335  -2.282394      6.212853  
1 1 1 -2  94  2  o 122.233 3.0950  8149.65    409.756  8160.33    583.163  8139.24    575.870  121.862 4.4183  121.724 4.3679  0.1376572      6.212884  
1 1 1 -2  94  3  o 45.838  3.7807  1158.05    186.026  991.690    280.287  1289.02    248.698  41.695  6.4118  48.123  4.8369  -6.427757      8.031668  
1 1 1 -2  94  4  o 52.125  3.5231  1492.84    197.734  1691.71    287.691  1314.78    272.224  55.160  4.8652  48.461  5.2714  6.698715       7.173408  
1 1 1 -2  94  5  o 55.188  3.4580  1672.67    205.654  1686.50    315.360  1662.43    271.270  54.886  5.3738  54.722  4.6201  0.1639061      7.086832  
1 1 1 -2  94  6  f 81.963  2.9745  3667.57    264.058  3446.87    377.904  3878.12    369.120  78.953  4.4372  83.993  4.0575  -5.039627      6.012602  
1 1 1 -2  94  7  o 69.243  3.2786  2624.18    245.891  2795.44    355.158  2466.52    340.772  70.950  4.6474  66.588  4.7563  4.362099       6.649829  
1 1 1 -2  94  8  o 79.074  3.3571  3427.18    287.519  3377.44    404.539  3477.95    408.719  77.867  4.8203  79.032  4.7975  -1.164703      6.800816  
1 1 1 -2  94  9  o 41.149  4.8762  953.647    213.098  790.214    307.065  1105.49    295.974  36.277  8.0274  43.768  6.4357  -7.490341      10.28873  
1 1 1 -2  94  10 o 61.355  3.8493  2081.68    254.505  2127.29    377.800  2043.79    344.368  61.256  5.7620  60.225  5.3345  1.031727       7.852270  
1 1 1 -2  94  11 o 21.170  7.6526  228.555    225.241  281.005    367.467  196.989    285.073  24.732  9.5943  21.627  8.4336  3.104826       12.77403  
1 1 1 -2  94  12 o 43.847  5.0241  1088.20    234.294  981.666    374.916  1156.46    300.114  39.897  8.9021  44.652  6.3874  -4.755245      10.95660  
1 1 1 -2  94  13 o 64.506  3.8941  2308.70    270.791  2521.71    421.304  2158.76    353.477  66.415  5.9188  61.722  5.3402  4.693466       7.971793  
1 1 1 -2  94  14 o 41.272  6.1632  992.130    267.066  1255.79    419.355  812.236    346.393  44.977  8.9234  35.991  8.9288  8.985649       12.62345  
1 1 1 -2  94  15 o 26.551  7.8810  430.092    243.043  575.640    402.094  346.305    305.082  30.251  10.276  24.789  8.9135  5.462807       13.60330  
1 1 1 -2  94  16 o 39.529  1.9686  851.808    84.284   604.495    407.462  862.863    86.147   30.680  10.345  39.730  2.0085  -9.049225      10.53809  
1 1 1 -2  94  17 o 42.423  5.8050  1047.34    259.732  705.901    411.585  1273.29    334.819  32.721  10.360  46.225  6.8987  -13.50385      12.44676  
1 1 1 -2  95  1  o 71.730  3.3562  2812.93    260.744  2867.17    377.050  2763.22    360.970  71.889  4.8713  70.610  4.7475  1.278374       6.802047  
1 1 1 -2  95  2  o 69.819  3.1943  2663.07    241.556  2584.80    351.827  2732.87    332.239  68.259  4.7891  70.329  4.3834  -2.070602      6.492297  
1 1 1 -2  95  3  o 62.153  3.1953  2116.27    214.374  2060.13    309.038  2168.35    297.626  60.909  4.7214  62.592  4.4186  -1.682884      6.466481  
1 1 1 -2  95  4  o 28.074  5.6433  453.891    165.643  573.192    268.949  380.980    210.253  31.060  7.9586  25.549  7.2575  5.510260       10.77083  
1 1 1 -2  95  5  o 32.767  5.2804  610.937    181.034  752.789    249.773  453.948    262.763  36.013  6.6484  27.751  8.1836  8.262255       10.54384  
1 1 1 -2  95  6  o 78.844  3.2134  3402.30    274.414  3853.46    409.354  3034.10    369.812  83.352  4.5515  73.897  4.6441  9.454880       6.502607  
1 1 1 -2  95  7  o 48.234  4.4862  1297.64    231.684  1462.80    349.338  1167.96    309.557  50.455  6.5469  45.008  6.5416  5.446548       9.254972  
1 1 1 -2  95  8  o 37.405  5.4607  797.628    214.710  1012.32    303.381  582.180    303.912  41.640  6.9734  30.994  8.6982  10.64609       11.14837  
1 1 1 -2  95  9  o 32.078  6.1122  598.374    204.605  536.435    296.949  654.358    282.316  29.788  8.6757  32.950  7.9925  -3.162338      11.79612  
1 1 1 -2  95  10 o 42.656  5.3010  1032.78    239.631  1018.22    377.978  1042.57    309.862  40.837  8.8047  42.163  7.0330  -1.325951      11.26882  
1 1 1 -2  95  11 o 21.265  7.6491  234.060    224.686  476.098    363.344  84.197     285.905  28.445  9.7671  19.491  8.1335  8.954159       12.71025  
1 1 1 -2  95  12 o 17.478  7.0197  100.035    202.993  196.510    317.453  33.300     264.026  22.171  8.8211  17.981  7.6742  4.190657       11.69210  
1 1 1 -2  95  13 o 25.678  7.4877  396.162    221.073  471.912    360.799  350.627    279.736  28.131  9.7287  24.769  8.5663  3.362093       12.96257  
1 1 1 -2  95  14 o 22.076  7.8684  264.599    237.243  443.584    399.508  167.098    294.863  27.719  10.165  21.009  8.4525  6.709562       13.22038  
1 1 1 -2  95  15 o 54.853  4.9522  1707.44    291.044  1565.54    454.592  1806.00    378.874  50.271  8.6617  55.599  6.4088  -5.328609      10.77486  
1 1 1 -2  95  16 o 49.187  2.5124  1327.59    133.404  1149.33    435.454  1346.05    140.142  42.149  9.7349  49.500  2.6233  -7.350807      10.08216  
1 1 1 -2  96  1  o 26.367  6.4565  406.377    182.911  370.809    280.552  432.673    241.230  25.706  8.5844  27.121  7.7967  -1.414434      11.59659  
1 1 1 -2  96  2  o 108.916 3.1388  6485.81    370.274  6705.88    522.327  6263.50    524.977  110.257 4.3739  106.478 4.5521  3.779663       6.312853  
1 1 1 -2  96  3  o 70.642  3.3534  2732.85    256.574  2850.02    364.624  2617.93    361.103  71.604  4.7282  68.550  4.8957  3.053452       6.806154  
1 1 1 -2  96  4  o 64.488  3.3581  2284.32    233.743  2459.57    372.965  2170.96    299.959  66.270  5.2389  62.527  4.4584  3.742592       6.879179  
1 1 1 -2  96  5  o 32.031  5.6475  589.635    188.769  526.909    295.480  632.888    245.369  29.646  8.6599  32.745  7.1212  -3.099228      11.21183  
1 1 1 -2  96  6  o 21.789  7.1710  264.258    196.019  98.712     264.718  465.221    291.663  19.313  7.9199  28.025  8.6988  -8.711174      11.76412  
1 1 1 -2  96  7  o 58.703  3.7882  1903.51    239.574  1806.82    350.032  1988.71    328.599  56.446  5.8082  59.524  5.1475  -3.077946      7.760962  
1 1 1 -2  96  8  o 22.228  7.4217  274.644    209.698  336.073    346.861  239.260    263.254  25.552  9.4547  22.167  8.2299  3.384737       12.53483  
1 1 1 -2  96  9  o 25.521  6.9842  385.698    198.672  394.141    287.450  377.975    274.899  26.120  8.6880  25.618  8.4950  0.5018196      12.15102  
1 1 1 -2  96  10 o 46.368  4.8323  1210.42    239.115  1344.70    365.201  1109.66    316.353  47.818  7.2812  43.515  6.9457  4.302780       10.06275  
1 1 1 -2  96  11 o 17.360  7.1815  70.062     220.149  90.513     354.522  57.227     280.863  21.235  8.9707  18.871  7.9790  2.363907       12.00576  
1 1 1 -2  96  12 o 25.805  7.4165  399.676    218.301  509.189    358.127  334.925    275.377  28.961  9.6988  24.375  8.4954  4.585735       12.89331  
1 1 1 -2  96  13 o 39.651  5.6596  907.509    236.161  502.248    381.376  1159.55    300.763  28.810  10.0000 44.541  6.4198  -15.73127      11.88335  
1 1 1 -2  96  14 o 54.032  4.9445  1654.71    286.156  1677.73    508.559  1644.05    346.154  51.589  9.4498  53.246  6.1130  -1.657516      11.25466  
1 1 1 -2  96  15 o 24.492  8.0376  356.321    246.328  29.297     412.302  537.840    307.176  21.391  9.3580  29.291  8.8978  -7.900610      12.91292  
1 1 1 -2  96  16 o 60.933  4.6294  2093.95    303.241  2073.01    467.075  2109.21    398.694  58.803  7.5047  60.230  6.2003  -1.426613      9.734694  
1 1 1 -2  97  1  o 65.934  3.4053  2388.89    242.351  2175.96    360.461  2564.54    327.393  62.234  5.4012  67.971  4.4721  -5.737041      7.012272  
1 1 1 -2  97  2  o 31.462  6.0420  573.370    198.406  662.868    288.701  493.269    273.124  33.238  8.0947  28.757  8.3045  4.480526       11.59696  
1 1 1 -2  97  3  o 30.435  6.0733  537.913    193.184  345.070    277.616  718.966    268.996  24.946  8.5383  34.865  7.3548  -9.918198      11.26927  
1 1 1 -2  97  4  o 17.900  6.7785  138.288    180.447  -232.9507  272.964  426.452    240.490  14.772  6.8997  26.851  7.8039  -12.07910      10.41666  
1 1 1 -2  97  5  o 70.978  3.5767  2773.08    274.082  2465.26    414.301  3012.65    365.493  66.015  5.8551  73.602  4.6080  -7.587364      7.450891  
1 1 1 -2  97  6  o 25.889  7.2729  395.992    212.361  465.116    279.067  300.898    327.318  27.957  8.4783  24.592  9.1676  3.365366       12.48706  
1 1 1 -2  97  7  f 42.100  4.6234  994.362    207.347  902.784    292.386  1087.01    294.087  39.173  7.1550  43.367  6.4581  -4.193817      9.638534  
1 1 1 -2  97  8  o 56.134  3.9665  1746.87    239.605  1680.88    364.023  1797.31    318.273  54.109  6.3310  56.455  5.2659  -2.345505      8.234756  
1 1 1 -2  97  9  o 51.406  4.2585  1472.81    234.971  1319.35    354.966  1592.50    313.484  47.452  7.1268  52.963  5.5470  -5.511780      9.031135  
1 1 1 -2  97  10 o 50.237  4.5902  1415.24    247.004  1547.18    377.514  1316.47    326.620  51.467  6.9501  47.635  6.5004  3.831924       9.516231  
1 1 1 -2  97  11 o 49.499  2.2708  1336.43    121.747  1091.65    397.590  1361.76    127.890  41.953  9.0182  49.951  2.3639  -7.998413      9.322855  
1 1 1 -2  97  12 o 54.841  4.2597  1681.42    251.035  1604.09    407.706  1728.63    318.588  51.942  7.4613  55.094  5.4087  -3.152103      9.215462  
1 1 1 -2  97  13 o 82.256  3.4649  3732.55    308.699  3601.38    461.136  3839.08    415.547  79.621  5.3788  82.696  4.6584  -3.074646      7.115647  
1 1 1 -2  97  14 o 94.680  3.7087  4962.24    380.323  4952.16    624.198  4968.20    479.637  92.575  6.2621  94.118  4.7051  -1.542816      7.832775  
1 1 1 -2  97  15 o 44.386  5.6616  1138.14    265.981  1139.63    442.109  1137.30    332.982  41.934  9.8939  43.498  7.3282  -1.564240      12.31229  
1 1 1 -2  98  1  o 49.176  4.1166  1342.23    217.244  1388.63    319.629  1302.40    296.169  49.327  6.1136  47.859  5.8343  1.468517       8.450761  
1 1 1 -2  98  2  o 29.267  5.9419  497.326    181.920  456.617    266.532  532.832    248.917  27.735  8.2578  29.877  7.6569  -2.142481      11.26143  
1 1 1 -2  98  3  o 36.535  5.5383  762.039    212.288  730.311    321.314  786.616    282.801  34.706  8.5932  36.462  7.4135  -1.755367      11.34916  
1 1 1 -2  98  4  o 80.015  3.3381  3509.94    289.295  3597.39    418.156  3429.66    400.655  80.340  4.8279  78.481  4.7356  1.859642       6.762706  
1 1 1 -2  98  5  o 68.526  3.7053  2589.77    273.988  2542.20    401.293  2631.32    374.998  67.139  5.5687  68.535  5.0881  -1.396317      7.543202  
1 1 1 -2  98  6  o 47.233  4.5951  1248.61    232.102  1363.00    357.609  1165.34    305.094  48.382  7.0300  44.922  6.4561  3.459881       9.544721  
1 1 1 -2  98  7  o 53.637  4.0889  1598.10    235.753  1247.33    350.873  1886.78    318.311  46.090  7.2696  57.907  5.1282  -11.81672      8.896422  
1 1 1 -2  98  8  o 84.018  3.2657  3873.76    297.183  3860.46    432.263  3885.69    409.242  83.105  4.8231  83.524  4.5408  -0.4191208     6.624289  
1 1 1 -2  98  9  o 64.026  3.7373  2267.94    258.039  2279.33    387.845  2258.90    345.636  63.306  5.7182  63.336  5.0812  -0.3039169E-01 7.649616  
1 1 1 -2  98  10 o 41.998  5.4989  1009.44    244.128  368.556    390.010  1422.32    313.040  26.461  9.9786  49.762  5.9245  -23.30172      11.60480  
1 1 1 -2  98  11 o 26.564  7.5156  425.897    225.939  670.554    351.892  254.291    294.711  32.620  9.4281  22.811  8.6569  9.809420       12.79962  
1 1 1 -2  98  12 o 39.007  6.2782  890.926    256.246  609.130    386.775  1111.38    342.097  31.058  10.065  42.956  7.6325  -11.89742      12.63186  
1 1 1 -2  98  13 o 43.489  1.9179  1030.19    90.338   936.157    363.720  1036.37    93.260   38.613  8.8819  43.612  1.9743  -4.999310      9.098684  
1 1 1 -2  98  14 o 28.377  8.0807  496.827    260.324  653.245    490.390  435.452    307.180  31.936  11.320  26.841  8.9825  5.094986       14.45090  
1 1 1 -2  99  1  o 43.050  4.3827  1034.99    201.505  1080.56    310.285  1001.76    264.988  43.097  6.8786  41.796  6.0279  1.301086       9.146067  
1 1 1 -2  99  2  o 29.138  6.3208  497.178    193.747  401.540    279.709  585.387    268.626  26.320  8.5614  31.213  7.9300  -4.893169      11.66974  
1 1 1 -2  99  3  o 41.261  4.6048  954.887    202.278  819.393    305.120  1061.13    270.185  37.021  7.8527  43.052  5.9535  -6.030827      9.854434  
1 1 1 -2  99  4  o 33.672  5.9520  655.812    209.135  775.551    296.983  538.023    294.556  35.974  7.8432  29.830  8.6271  6.143614       11.65946  
1 1 1 -2  99  5  o 22.707  7.3464  293.145    206.111  188.421    321.188  366.462    268.744  22.247  8.8660  25.290  8.4000  -3.042986      12.21335  
1 1 1 -2  99  6  o 28.055  6.9624  467.965    210.561  490.357    325.055  451.775    276.387  28.648  9.2213  27.514  8.4560  1.134590       12.51149  
1 1 1 -2  99  7  o 15.275  6.7068  -32.2591   213.483  -397.7105  324.477  246.680    283.481  14.843  7.1040  22.612  8.5115  -7.769189      11.08657  
1 1 1 -2  99  8  o 61.748  3.7408  2110.10    249.001  2065.42    362.079  2150.18    342.979  60.295  5.6087  61.739  5.1769  -1.443924      7.632654  
1 1 1 -2  99  9  o 53.466  4.4150  1599.17    253.383  1479.64    368.646  1706.21    348.848  50.256  6.9593  54.522  6.0070  -4.266605      9.193289  
1 1 1 -2  99  10 o 45.296  5.2451  1168.07    252.562  945.407    411.797  1302.33    319.764  38.503  9.8382  47.322  6.4031  -8.819324      11.73839  
1 1 1 -2  99  11 o 29.178  7.3306  516.000    231.375  583.881    363.351  469.701    300.080  30.534  9.7411  27.762  8.8520  2.771576       13.16238  
1 1 1 -2  99  12 o 45.627  5.4340  1192.69    263.259  1016.57    394.028  1334.69    353.819  40.107  9.2584  47.437  7.1051  -7.330433      11.67047  
1 1 1 -2  99  13 o 54.850  4.2961  1685.72    253.186  1784.15    390.540  1614.35    332.533  55.191  6.6685  52.898  5.9048  2.293072       8.907003  
1 1 1 -2  100 1  o 74.640  3.2512  3054.18    262.841  3101.43    391.726  3015.50    354.483  74.505  4.8813  73.646  4.4651  0.8588409      6.615475  
1 1 1 -2  100 2  o 66.596  3.5697  2444.19    256.546  2892.76    404.585  2142.54    331.774  71.771  5.2408  61.820  4.9978  9.951488       7.241826  
1 1 1 -2  100 3  o 69.993  3.4732  2690.89    263.299  2446.96    376.620  2924.09    368.244  65.933  5.3191  72.391  4.7224  -6.458153      7.112983  
1 1 1 -2  100 4  o 18.947  7.2062  157.240    204.496  216.911    325.861  118.473    262.656  22.849  8.9855  19.568  7.9406  3.280912       11.99136  
1 1 1 -2  100 5  o 46.332  4.8553  1208.12    240.032  1230.24    352.392  1188.97    327.849  45.694  7.3711  45.111  6.9318  0.5831871      10.11844  
1 1 1 -2  100 6  o 34.598  6.2982  699.104    227.319  836.975    333.154  578.999    310.948  37.003  8.4924  30.724  8.8576  6.279299       12.27105  
1 1 1 -2  100 7  o 30.044  6.8058  536.823    216.334  307.578    310.935  751.914    301.183  24.296  8.9592  35.171  8.0766  -10.87510      12.06231  
1 1 1 -2  100 8  o 55.946  4.1056  1742.46    247.040  1549.48    375.625  1889.56    327.945  51.477  6.9116  57.761  5.3012  -6.283344      8.710485  
1 1 1 -2  100 9  o 99.010  3.3090  5390.89    354.852  5009.49    501.390  5773.65    502.284  94.464  4.9175  101.773 4.5567  -7.308563      6.704070  
1 1 1 -2  100 10 o 117.336 3.4414  7586.20    437.359  7791.00    652.247  7418.89    589.533  117.693 5.1167  115.163 4.7263  2.530464       6.965560  
1 1 1 -2  100 11 o 22.425  8.0648  270.290    249.760  380.688    392.823  195.377    323.588  26.549  10.014  22.144  8.8738  4.404821       13.37991  
1 1 1 -2  100 12 o 39.574  6.6543  925.003    275.098  690.423    394.539  1146.96    383.777  32.792  10.107  43.125  8.5186  -10.33286      13.21822  
1 1 1 -2  101 1  o 29.832  6.2866  522.042    196.723  453.019    291.766  579.577    266.381  27.594  8.7211  30.979  7.9111  -3.384926      11.77468  
1 1 1 -2  101 2  o 33.142  5.9832  637.527    206.872  107.168    332.854  971.327    264.066  21.078  8.7841  41.028  6.1305  -19.94983      10.71179  
1 1 1 -2  101 3  o 58.761  4.0074  1915.66    253.525  1902.51    358.266  1928.86    358.811  57.816  5.7993  58.235  5.7644  -0.4184532     8.176847  
1 1 1 -2  101 4  o 78.278  3.5556  3371.40    301.459  3176.04    437.829  3547.50    415.688  75.025  5.4246  79.630  4.8427  -4.605240      7.271739  
1 1 1 -2  101 5  o 76.259  3.6642  3203.94    302.647  3342.45    428.348  3065.87    427.668  77.093  5.1597  73.694  5.3955  3.399109       7.465538  
1 1 1 -2  101 6  o 42.520  5.2213  1027.73    235.407  1217.51    378.318  907.818    300.716  44.999  8.0580  39.034  7.3832  5.964970       10.92905  
1 1 1 -2  101 7  o 41.406  5.2748  977.187    231.186  1023.35    334.428  934.931    319.947  41.273  7.7662  39.404  7.7727  1.868317       10.98763  
1 1 1 -2  101 8  o 26.478  7.2410  421.238    213.638  891.903    336.331  102.885    276.609  38.134  8.3725  19.506  8.0581  18.62750       11.62027  
1 1 1 -2  101 9  o 22.572  7.8034  284.071    232.121  136.993    356.271  392.554    305.976  21.869  9.0986  25.981  8.9606  -4.112032      12.77014  
1 1 1 -2  101 10 o 50.624  4.7585  1445.30    257.852  1515.92    400.604  1395.34    336.923  50.411  7.5710  48.905  6.5233  1.505302       9.993693  
1 1 1 -2  101 11 o 47.289  5.4488  1279.16    273.976  1017.62    427.976  1460.76    356.631  39.778  9.9568  49.887  6.7756  -10.10854      12.04352  
1 1 1 -2  102 1  o 38.505  5.4890  848.208    222.438  952.923    403.833  802.600    266.512  39.014  9.6179  36.882  6.9259  2.131359       11.85213  
1 1 1 -2  102 2  o 37.964  6.2262  837.078    247.134  569.721    404.757  995.993    312.055  30.638  10.311  41.016  7.2915  -10.37872      12.62833  
1 1 1 -2  102 3  o 47.306  4.8856  1261.18    246.718  1085.50    395.316  1373.26    315.761  42.005  8.9622  48.875  6.0976  -6.869251      10.83977  
1 1 1 -2  102 4  o 40.986  5.4997  960.397    237.984  925.870    326.067  999.758    348.138  39.175  7.9563  40.629  8.1940  -1.454334      11.42118  
1 1 1 -2  102 5  o 40.562  5.4539  940.779    233.534  874.862    380.069  980.762    296.004  37.363  9.4000  40.796  6.9480  -3.433319      11.68910  
1 1 1 -2  102 6  o 55.797  4.2786  1737.52    256.602  1845.46    374.949  1642.42    351.925  56.615  6.2170  53.385  6.2020  3.229664       8.781567  
1 1 1 -2  102 7  o 34.196  6.2972  686.319    224.643  966.310    362.264  511.384    286.346  39.559  8.6922  28.892  8.5494  10.66738       12.19208  
1 1 1 -2  102 8  o 47.313  4.5076  1257.85    228.201  1253.96    335.966  1261.18    310.935  46.149  6.9360  46.589  6.3255  -0.4399872     9.387227  
1 1 1 -2  102 9  o 74.038  3.7995  3037.94    303.659  2901.32    452.394  3149.97    409.657  71.204  5.9197  74.724  5.0920  -3.519974      7.808364  
1 1 1 -2  102 10 o 29.909  1.3785  485.805    44.657   467.934    367.533  486.072    44.990   28.067  9.8126  29.917  1.3885  -1.849596      9.910370  
1 1 1 -2  103 1  o 61.280  4.2373  2090.84    279.517  2160.39    470.210  2052.84    347.601  60.730  7.2945  60.217  5.3864  0.5124435      9.067708  
1 1 1 -2  103 2  o 21.543  7.5903  248.206    220.155  272.037    390.535  237.105    266.543  24.841  9.8153  22.052  8.2626  2.788916       12.83004  
1 1 1 -2  103 3  o 45.705  4.6857  1175.39    228.678  1074.47    334.410  1264.03    313.410  42.456  7.5489  46.711  6.3601  -4.255325      9.871015  
1 1 1 -2  103 4  o 43.716  5.2187  1086.45    242.216  852.235    331.568  1354.48    354.691  37.296  8.4089  48.029  7.0261  -10.73264      10.95791  
1 1 1 -2  103 5  o 25.598  7.4097  392.036    217.200  244.508    321.322  516.159    294.733  23.122  8.9711  29.035  8.6925  -5.912943      12.49164  
1 1 1 -2  103 6  o 41.062  5.9983  975.819    258.902  909.444    376.724  1035.23    356.405  38.096  9.2277  41.215  8.2714  -3.119602      12.39224  
1 1 1 -2  103 7  o 81.493  3.3952  3654.80    299.684  3532.71    439.071  3761.28    410.049  79.157  5.1493  81.991  4.6364  -2.833694      6.929034  
1 1 1 -2  103 8  o 57.920  4.0920  1868.69    255.054  2161.33    388.238  1646.50    338.298  61.423  5.9087  53.534  5.9343  7.888966       8.374284  
1 1 1 -2  104 1  o 13.180  6.0903  -144.4075  204.037  95.524     380.233  -241.4348  241.799  21.853  9.2642  13.466  6.3536  8.386718       11.23361  
1 1 1 -2  104 2  o 14.582  6.5206  -67.0327   211.073  7.2221     410.625  -93.6985   246.071  21.354  9.3406  15.445  6.9623  5.909409       11.64994  
1 1 1 -2  104 3  o 63.204  4.0173  2219.46    273.584  2471.84    399.726  1997.04    375.246  65.923  5.6530  59.058  5.9472  6.864712       8.205229  
1 1 1 -2  104 4  o 66.292  3.9170  2437.86    279.999  1964.27    384.181  2974.45    408.934  58.452  6.1610  72.593  5.2362  -14.14028      8.085546  
1 1 1 -2  104 5  o 40.382  5.7558  939.003    244.626  894.939    365.622  974.715    329.151  37.916  9.0321  40.208  7.8396  -2.292912      11.95986  
1 1 1 -2  104 6  f 25.758  7.8008  396.741    236.363  869.103    365.474  57.121     309.896  37.292  9.1234  19.598  8.3379  17.69410       12.35950  
1 1 1 -2  104 7  o 52.347  4.4038  1534.19    247.367  1418.57    383.054  1616.90    323.980  48.873  7.4739  53.172  5.7152  -4.299747      9.408676  
1 1 1 -2  105 1  f 44.655  5.0591  1129.74    240.368  973.988    418.260  1206.54    293.714  39.207  9.8594  45.736  6.0798  -6.529758      11.58326  
1 1 1 -2  105 2  o 38.470  6.1043  859.057    245.856  528.797    411.075  1042.98    306.770  29.734  10.379  42.072  6.9765  -12.33832      12.50547  
1 1 1 -2  105 3  o 54.210  4.5245  1646.07    263.232  1742.29    405.870  1576.22    345.829  54.561  7.0317  52.279  6.2302  2.281673       9.394719  
1 1 1 -2  105 4  o 79.964  3.5848  3523.62    310.472  3716.12    453.100  3353.25    426.275  81.215  5.1779  77.161  5.1298  4.054108       7.288755  
1 1 1 -2  105 5  o 102.106 3.4357  5737.38    379.955  5483.06    536.057  5994.15    538.629  98.812  5.0253  103.584 4.8009  -4.771950      6.950034  
1 1 1 -1  0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   2  o 231.423 8.5618  29140.79   2139.39  29140.79   2139.39  29140.79   2139.39  231.423 8.5618  231.423 8.5618  0.000000       0.000000  
1 1 1 -1  0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   5  o 251.212 6.4369  34256.32   1748.82  34256.32   1748.82  34256.32   1748.82  251.212 6.4369  251.212 6.4369  0.000000       0.000000  
1 1 1 -1  0   6  o 458.426 15.512  114511.60  7681.83  114511.60  7681.83  114511.60  7681.83  458.426 15.512  458.426 15.512  0.000000       0.000000  
1 1 1 -1  0   7  o 371.046 8.9960  74784.57   3610.54  74784.57   3610.54  74784.57   3610.54  371.046 8.9960  371.046 8.9960  -0.000000      0.000000  
1 1 1 -1  0   8  o 335.964 8.2421  61310.46   2995.10  61310.46   2995.10  61310.46   2995.10  335.964 8.2421  335.964 8.2421  -0.000000      0.000000  
1 1 1 -1  0   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   10 o 403.145 9.6966  88250.00   4228.47  88250.00   4228.47  88250.00   4228.47  403.145 9.6966  403.145 9.6966  0.000000       0.000000  
1 1 1 -1  0   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   15 o 114.358 4.2310  7113.00    522.429  7113.00    522.429  7113.00    522.429  114.358 4.2310  114.358 4.2310  0.000000       0.000000  
1 1 1 -1  0   16 o 596.781 17.252  194329.41  11130.44 194329.41  11130.44 194329.41  11130.44 596.781 17.252  596.781 17.252  0.000000       0.000000  
1 1 1 -1  0   17 o 669.232 15.684  244268.80  11354.55 244268.80  11354.55 244268.80  11354.55 669.232 15.684  669.232 15.684  0.000000       0.000000  
1 1 1 -1  0   18 o 72.971  3.1154  2900.14    245.202  2900.14    245.202  2900.14    245.202  72.971  3.1154  72.971  3.1154  0.000000       0.000000  
1 1 1 -1  0   19 o 189.269 5.6568  19472.43   1157.28  19472.43   1157.28  19472.43   1157.28  189.269 5.6568  189.269 5.6568  0.000000       0.000000  
1 1 1 -1  0   20 o 96.573  3.7418  5076.21    390.052  5076.21    390.052  5076.21    390.052  96.573  3.7418  96.573  3.7418  0.000000       0.000000  
1 1 1 -1  0   21 o 43.760  5.4863  1086.28    248.957  1086.28    248.957  1086.28    248.957  43.760  5.4863  43.760  5.4863  0.000000       0.000000  
1 1 1 -1  0   22 o 233.911 6.1607  29749.68   1558.38  29749.68   1558.38  29749.68   1558.38  233.911 6.1607  233.911 6.1607  0.000000       0.000000  
1 1 1 -1  0   23 o 257.521 7.3799  36122.84   2054.58  36122.84   2054.58  36122.84   2054.58  257.521 7.3799  257.521 7.3799  -0.000000      0.000000  
1 1 1 -1  0   24 o 98.685  4.3965  5313.21    467.803  5313.21    467.803  5313.21    467.803  98.685  4.3965  98.685  4.3965  -0.000000      0.000000  
1 1 1 -1  0   25 o 36.627  7.5350  815.599    264.043  815.599    264.043  815.599    264.043  36.627  7.5350  36.627  7.5350  -0.000000      0.000000  
1 1 1 -1  0   26 o 262.935 9.7492  38133.80   2767.78  38133.80   2767.78  38133.80   2767.78  262.935 9.7492  262.935 9.7492  -0.000000      0.000000  
1 1 1 -1  0   27 o 10.447  2.2404  66.677     22.258   66.677     22.258   66.677     22.258   10.447  2.2404  10.447  2.2404  -0.000000      0.000000  
1 1 1 -1  0   28 o 151.939 4.8624  12624.64   798.334  12624.64   798.334  12624.64   798.334  151.939 4.8624  151.939 4.8624  -0.000000      0.000000  
1 1 1 -1  0   29 o 159.700 5.3467  14001.12   922.476  14001.12   922.476  14001.12   922.476  159.700 5.3467  159.700 5.3467  -0.000000      0.000000  
1 1 1 -1  0   30 f 120.392 4.5941  7957.54    597.072  7957.54    597.072  7957.54    597.072  120.392 4.5941  120.392 4.5941  0.000000       0.000000  
1 1 1 -1  0   31 o 69.177  5.1685  2673.49    382.287  2673.49    382.287  2673.49    382.287  69.177  5.1685  69.177  5.1685  -0.000000      0.000000  
1 1 1 -1  0   32 o 54.516  6.0657  1708.05    346.812  1708.05    346.812  1708.05    346.812  54.516  6.0657  54.516  6.0657  0.000000       0.000000  
1 1 1 -1  0   33 f 34.888  9.7558  837.628    318.996  837.628    318.996  837.628    318.996  34.888  9.7558  34.888  9.7558  0.000000       0.000000  
1 1 1 -1  0   34 o 10.805  7.4427  -167.4352  288.240  -167.4352  288.240  -167.4352  288.240  10.805  7.4427  10.805  7.4427  0.000000       0.000000  
1 1 1 -1  0   35 o 14.544  9.5920  31.562     388.334  31.562     388.334  31.562     388.334  14.544  9.5920  14.544  9.5920  0.000000       0.000000  
1 1 1 -1  0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   2  o 291.219 7.2176  45969.61   2276.57  49206.22   3219.66  42733.44   3219.45  301.178 9.8700  280.635 10.592  20.54309       14.47766  
1 1 1 -1  1   3  o 171.184 3.4262  15872.84   635.256  16270.07   898.317  15475.49   898.458  173.296 4.7860  169.010 4.9081  4.286331       6.855321  
1 1 1 -1  1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   5  o 200.609 3.8174  21800.03   829.451  22269.94   1173.18  21330.37   1172.86  202.733 5.3428  198.408 5.4578  4.325058       7.637620  
1 1 1 -1  1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   7  o 73.950  2.2539  2962.04    180.530  2707.26    240.686  3289.73    272.964  70.693  3.1434  77.927  3.2341  -7.233925      4.510022  
1 1 1 -1  1   8  o 588.284 11.269  188269.80  7180.53  192658.59  8794.43  179492.91  12436.72 594.472 13.659  571.604 20.088  22.86816       24.29181  
1 1 1 -1  1   9  o 342.053 6.3427  63435.43   2349.84  64640.82   3624.76  62561.63   3086.19  345.020 9.6998  339.542 8.3919  5.478516       12.82617  
1 1 1 -1  1   10 o 386.157 7.5908  80845.98   3174.84  79924.07   5499.09  81306.91   3888.34  383.508 13.239  387.149 9.2729  -3.641083      16.16325  
1 1 1 -1  1   11 o 458.504 10.885  114061.30  5405.52  117916.30  7644.99  110207.10  7644.14  465.780 15.154  450.240 15.675  15.54019       21.80264  
1 1 1 -1  1   12 o 536.702 11.447  156325.91  6654.01  156557.41  7317.58  155220.41  15991.42 536.980 12.582  531.315 27.886  5.665222       30.59287  
1 1 1 -1  1   13 o 336.709 6.1868  61439.33   2256.28  62632.83   2965.58  59798.93   3476.77  339.883 8.0558  332.020 9.6681  7.862946       12.58447  
1 1 1 -1  1   14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   15 o 611.929 10.141  203330.91  6721.58  201675.30  9505.84  204986.41  9505.67  608.602 14.421  613.605 14.303  -5.002441      20.31082  
1 1 1 -1  1   16 o 577.910 10.470  181543.09  6553.72  179400.50  10179.17 183060.20  8565.13  572.940 16.403  579.567 13.645  -6.626343      21.33648  
1 1 1 -1  1   17 o 369.997 6.3453  74269.97   2542.83  73105.72   3595.94  75434.44   3596.28  366.746 9.0527  372.562 8.9122  -5.816193      12.70348  
1 1 1 -1  1   18 o 288.007 5.0843  44986.16   1586.01  44883.42   2242.87  45088.93   2243.03  287.466 7.2035  288.126 7.1876  -0.6592102     10.17608  
1 1 1 -1  1   19 o 402.866 8.0475  88275.88   3511.51  90702.62   4966.15  85849.39   4965.90  407.527 11.251  396.380 11.567  11.14755       16.13626  
1 1 1 -1  1   20 o 90.073  2.8689  4396.50    279.885  4423.57    397.530  4369.88    394.125  90.320  4.0636  89.771  4.0535  0.5495148      5.739695  
1 1 1 -1  1   21 o 281.457 5.0235  42997.53   1531.40  43551.78   2166.47  42444.04   2164.98  282.952 7.0692  279.315 7.1563  3.637054       10.05914  
1 1 1 -1  1   22 o 185.090 3.7809  18579.81   757.954  18877.98   1134.43  18339.36   1018.71  186.405 5.6189  183.777 5.1179  2.628021       7.600278  
1 1 1 -1  1   23 o 59.866  3.4416  1950.15    222.222  2020.98    316.713  1881.46    311.880  60.809  4.8490  58.646  4.9564  2.162720       6.933904  
1 1 1 -1  1   24 o 358.962 6.7336  70271.29   2617.97  70386.34   3437.91  70112.48   4039.04  358.345 8.8578  356.808 10.451  1.536987       13.70004  
1 1 1 -1  1   25 o 145.194 3.2957  11442.89   518.279  11102.39   732.581  11784.09   733.333  142.844 4.7350  147.183 4.6002  -4.339569      6.601674  
1 1 1 -1  1   26 o 89.939  2.7776  4390.92    270.579  4213.70    356.380  4632.12    415.758  88.021  3.7381  92.241  4.1615  -4.219933      5.593875  
1 1 1 -1  1   27 o 111.215 3.0228  6725.19    364.114  6921.60    514.841  6528.63    515.029  112.614 4.2210  109.344 4.3488  3.269600       6.060397  
1 1 1 -1  1   28 o 81.181  3.1843  3589.77    279.991  3379.38    408.476  3776.23    384.541  78.328  4.8385  82.960  4.2943  -4.631927      6.469358  
1 1 1 -1  1   29 f 56.086  1.9011  1708.01    115.489  2081.05    163.528  1336.80    163.125  61.856  2.4408  49.422  3.0625  12.43373       3.916187  
1 1 1 -1  1   30 o 93.856  3.2344  4815.29    328.793  5071.97    465.798  4560.40    464.175  95.914  4.4838  90.739  4.7395  5.175415       6.524333  
1 1 1 -1  1   31 o 25.515  7.2082  384.555    207.994  305.579    293.443  464.296    294.859  24.155  8.7342  27.958  8.7576  -3.803007      12.36856  
1 1 1 -1  1   32 o 52.556  2.0440  1504.76    116.351  1205.45    328.579  1547.67    124.412  45.244  6.9256  53.282  2.1558  -8.038361      7.253344  
1 1 1 -1  1   33 o 49.479  2.3223  1338.53    124.454  1325.69    133.800  1420.92    338.952  49.137  2.5226  49.060  6.5419  0.7702255E-01  7.011371  
1 1 1 -1  1   34 o 14.437  6.4597  -42.5090   207.513  -93.4237   292.770  8.8938     294.170  16.337  7.4548  17.710  7.8205  -1.372335      10.80437  
1 1 1 -1  1   35 o 40.566  2.2013  908.228    96.357   965.289    432.830  905.253    98.837   35.145  10.537  40.478  2.2635  -5.332867      10.77701  
1 1 1 -1  1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   7  o 367.681 6.8279  73321.12   2719.11  73376.05   3567.33  73244.93   4200.61  367.621 8.9593  367.108 10.564  0.5122375      13.85196  
1 1 1 -1  2   8  o 474.409 11.263  122434.60  5787.54  126724.20  8185.07  118145.40  8184.58  481.629 15.691  464.894 16.254  16.73584       22.59208  
1 1 1 -1  2   9  f 227.073 4.4327  27939.23   1090.20  27178.48   1446.41  28939.89   1658.89  223.909 5.9642  231.023 6.6297  -7.114136      8.917607  
1 1 1 -1  2   10 o 304.599 5.6837  50277.22   1875.11  52662.56   2884.29  48531.06   2467.78  311.618 8.5457  299.188 7.6154  12.42950       11.44651  
1 1 1 -1  2   11 o 271.052 4.8349  39802.00   1419.43  40274.30   2007.77  39330.06   2006.99  272.606 6.8000  269.389 6.8785  3.216888       9.672320  
1 1 1 -1  2   12 o 381.098 6.4850  78706.45   2676.80  78249.69   3785.76  79163.10   3785.38  379.858 9.2016  382.072 9.1473  -2.213776      12.97466  
1 1 1 -1  2   13 o 586.046 10.304  186349.41  6540.32  196593.80  10159.72 179099.50  8546.80  601.202 15.602  574.108 13.745  27.09369       20.79316  
1 1 1 -1  2   14 o 411.769 14.008  92194.33   6247.61  92194.33   6247.61  0.0000     0.0000   411.769 14.008  ?       ?       0.000000       14.00845  
1 1 1 -1  2   15 o 373.148 6.3916  75485.94   2583.20  73385.71   3653.16  77586.27   3653.24  367.713 9.1725  378.113 8.9204  -10.39993      12.79491  
1 1 1 -1  2   16 o 335.551 5.8014  61045.88   2108.43  60989.77   2982.20  61101.95   2981.34  335.203 8.2141  335.512 8.2041  -0.3090820     11.60944  
1 1 1 -1  2   17 o 353.135 7.0051  67681.77   2679.34  70771.02   3790.56  64597.08   3787.76  360.743 9.7014  344.580 10.149  16.16232       14.03992  
1 1 1 -1  2   18 o 160.921 3.4036  14033.00   593.236  14033.91   839.619  14032.08   838.306  160.873 4.8187  160.863 4.8115  0.1016235E-01  6.809532  
1 1 1 -1  2   19 o 326.980 5.6781  58025.70   2010.91  58498.68   2844.27  57553.01   2843.43  327.960 8.0072  325.287 8.0706  2.672668       11.36880  
1 1 1 -1  2   20 o 352.229 6.5149  67412.89   2485.44  67719.87   3265.06  66989.91   3832.67  352.605 8.5493  350.302 10.102  2.303314       13.23378  
1 1 1 -1  2   21 o 251.144 5.2717  34242.68   1433.98  34248.87   2475.28  34239.55   1759.28  250.547 9.1215  250.975 6.4719  -0.4278259     11.18426  
1 1 1 -1  2   22 o 227.018 4.7508  27974.65   1168.15  28691.92   1448.55  26640.68   1975.45  229.777 5.8204  221.025 8.2519  8.751907       10.09809  
1 1 1 -1  2   23 o 326.365 5.7038  57914.96   2016.23  59088.57   2852.11  56742.55   2850.65  329.018 8.0034  322.369 8.1643  6.649109       11.43290  
1 1 1 -1  2   24 o 115.160 3.0205  7192.16    376.754  7809.77    542.076  6615.03    524.004  119.926 4.1733  110.357 4.3839  9.569099       6.052701  
1 1 1 -1  2   25 o 3.0605  1.5366  -66.7731   22.365   -67.2039   22.469   -20.4225   233.069  3.0654  1.5392  16.601  7.1503  -13.53516      7.314065  
1 1 1 -1  2   26 f 197.594 3.8982  21242.33   834.266  20702.71   1179.43  21782.69   1180.23  194.591 5.5960  199.648 5.4580  -5.057144      7.816951  
1 1 1 -1  2   27 o 92.395  2.9720  4641.13    297.417  4520.97    420.086  4761.89    421.138  91.005  4.2619  93.416  4.1623  -2.410423      5.957214  
1 1 1 -1  2   28 o 54.543  3.9571  1633.82    232.178  1872.16    330.311  1401.06    326.423  58.099  5.3077  49.971  6.1616  8.127953       8.132448  
1 1 1 -1  2   29 o 52.171  1.5680  1476.66    88.606   1534.63    147.781  1444.13    110.713  53.105  2.5693  51.566  1.9823  1.539654       3.245090  
1 1 1 -1  2   30 o 60.007  3.8010  1982.93    245.767  2056.75    350.889  1911.85    344.337  60.616  5.4012  58.387  5.5101  2.229019       7.715833  
1 1 1 -1  2   31 f 51.019  4.2856  1448.85    234.625  1393.19    333.082  1503.67    330.551  49.222  6.3991  51.308  6.0655  -2.086067      8.816951  
1 1 1 -1  2   32 o 34.305  2.2175  644.424    81.954   775.994    310.396  634.564    84.970   35.560  8.2231  34.023  2.3196  1.536640       8.544043  
1 1 1 -1  2   33 o 32.634  1.9804  582.849    69.667   582.804    71.455   583.714    313.372  32.623  2.0323  30.267  8.9403  2.355951       9.168344  
1 1 1 -1  2   34 o 34.301  6.3649  720.955    227.757  612.594    320.806  831.076    323.404  29.943  9.0925  35.338  8.5436  -5.395273      12.47664  
1 1 1 -1  2   35 o 29.018  8.6715  594.166    293.512  879.899    414.146  305.819    416.036  33.694  10.350  23.302  9.7741  10.39135       14.23598  
1 1 1 -1  2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  3   1  f 154.164 3.2204  12873.12   537.721  13556.02   760.464  12190.25   760.441  158.188 4.4385  150.004 4.6805  8.183060       6.450373  
1 1 1 -1  3   2  o 281.156 7.0185  42845.57   2137.28  42845.57   2137.28  0.0000     0.0000   281.156 7.0185  ?       ?       0.000000       7.018491  
1 1 1 -1  3   3  o 355.248 12.212  68521.36   4698.92  0.0000     0.0000   68521.36   4698.92  ?       ?       355.248 12.212  0.000000       12.21226  
1 1 1 -1  3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  3   6  o 472.974 11.091  121497.30  5681.66  121497.30  5681.66  0.0000     0.0000   472.974 11.091  ?       ?       0.000000       11.09092  
1 1 1 -1  3   7  f 288.662 5.0853  45163.21   1589.93  46957.64   2248.73  43369.50   2248.28  294.226 7.0564  282.742 7.3416  11.48352       10.18293  
1 1 1 -1  3   8  o 377.943 6.4371  77469.36   2635.01  79612.91   3726.66  75326.23   3726.29  382.869 8.9867  372.389 9.2387  10.48050       12.88851  
1 1 1 -1  3   9  o 316.776 5.5000  54389.63   1887.07  57059.59   2669.05  51721.00   2668.39  324.333 7.5979  308.762 7.9791  15.57089       11.01793  
1 1 1 -1  3   10 o 353.563 6.6249  67755.02   2536.98  69861.06   3916.45  66232.38   3330.10  358.817 10.077  349.455 8.7982  9.361908       13.37773  
1 1 1 -1  3   11 o 743.223 24.631  302002.59  19828.04 0.0000     0.0000   302002.59  19828.04 ?       ?       743.223 24.631  0.000000       24.63146  
1 1 1 -1  3   12 o 548.039 9.8937  162913.20  5872.74  167816.70  7677.28  155996.80  9117.90  555.933 12.750  535.629 15.717  20.30341       20.23807  
1 1 1 -1  3   13 o 288.557 5.2778  45114.98   1649.53  45145.30   2175.20  45073.95   2530.46  288.601 6.9588  288.328 8.1029  0.2727051      10.68090  
1 1 1 -1  3   14 o 286.509 10.194  44550.30   3163.38  44550.30   3163.38  0.0000     0.0000   286.509 10.194  ?       ?       0.000000       10.19397  
1 1 1 -1  3   15 o 651.485 10.759  230551.59  7592.09  220921.70  10736.59 240182.50  10737.08 636.679 15.570  664.022 14.929  -27.34338      21.57055  
1 1 1 -1  3   16 o 286.494 5.0851  44489.36   1577.92  45739.61   2232.18  43240.59   2230.85  290.369 7.0975  282.312 7.2958  8.057465       10.17858  
1 1 1 -1  3   17 o 250.874 4.8613  34120.03   1320.93  33922.05   2016.86  34268.74   1748.02  249.966 7.4494  251.321 6.4217  -1.354233      9.835236  
1 1 1 -1  3   18 o 314.110 6.3047  53552.94   2144.96  55740.43   3034.30  51367.96   3032.55  320.128 8.7511  307.259 9.1124  12.86838       12.63403  
1 1 1 -1  3   19 o 193.076 3.9234  20209.07   820.466  20250.93   1098.83  20156.33   1233.42  193.197 5.2512  192.697 5.9097  0.4993286      7.905700  
1 1 1 -1  3   20 o 166.579 3.4652  15041.62   625.209  15385.96   885.639  14699.54   882.725  168.398 4.8557  164.593 4.9516  3.805359       6.935108  
1 1 1 -1  3   21 o 211.209 4.2347  24197.12   968.728  25443.07   1293.69  22606.73   1461.61  216.457 5.5181  203.914 6.6178  12.54333       8.616527  
1 1 1 -1  3   22 o 250.850 4.5928  34151.47   1247.85  34494.52   1765.52  33809.04   1763.94  251.839 6.4726  249.314 6.5323  2.524719       9.195978  
1 1 1 -1  3   23 o 124.412 3.1168  8392.44    419.992  8598.26    596.643  8190.28    591.310  125.855 4.3770  122.828 4.4447  3.026657       6.238068  
1 1 1 -1  3   24 o 31.282  1.4513  530.122    49.172   514.757    50.178   901.833    246.802  30.825  1.5029  40.292  5.8244  -9.466763      6.015180  
1 1 1 -1  3   25 o 97.809  3.0038  5190.74    318.216  5231.41    451.233  5150.51    448.827  98.098  4.2469  97.335  4.2573  0.7623291      6.013420  
1 1 1 -1  3   26 o 101.467 3.0081  5591.01    330.582  5890.43    466.939  5290.12    468.091  104.019 4.1446  98.545  4.3856  5.473755       6.034109  
1 1 1 -1  3   27 o 59.652  2.4960  1932.35    161.266  2109.77    325.948  1874.84    185.570  61.901  4.9017  58.728  2.9174  3.172798       5.704167  
1 1 1 -1  3   28 o 54.339  3.9965  1622.18    233.563  1719.34    333.074  1528.18    327.611  55.579  5.6098  52.293  5.8865  3.285484       8.131477  
1 1 1 -1  3   29 o 42.814  1.5574  994.443    72.217   1249.63    102.348  741.410    101.915  47.968  1.9699  36.823  2.5715  11.14521       3.239315  
1 1 1 -1  3   30 o 14.625  6.3995  -31.7066   192.912  242.471    275.939  -293.8223  269.801  22.664  8.4236  14.084  6.6656  8.579885       10.74185  
1 1 1 -1  3   31 o 82.046  3.3329  3692.19    296.180  3896.98    422.223  3493.80    415.579  83.658  4.6785  79.106  4.8741  4.552032       6.756110  
1 1 1 -1  3   32 f 51.027  4.3505  1457.78    238.142  1341.48    335.500  1575.88    338.082  47.915  6.6436  52.282  6.0841  -4.367752      9.008494  
1 1 1 -1  3   33 o 76.573  3.5182  3245.58    291.787  3446.49    412.206  3043.82    413.093  77.983  4.9053  73.028  5.2578  4.954887       7.190728  
1 1 1 -1  3   34 f 34.193  1.3286  636.138    49.203   482.071    69.755   788.703    69.414   29.569  2.1937  38.020  1.6857  -8.450182      2.766500  
1 1 1 -1  3   35 o 23.522  8.0803  367.758    248.690  518.270    401.578  274.126    316.735  26.632  10.106  21.876  8.7747  4.755669       13.38356  
1 1 1 -1  3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   2  o 129.653 2.8410  9104.67    398.956  9256.07    564.229  8953.30    564.190  130.717 3.9852  128.561 4.0518  2.156281       5.683206  
1 1 1 -1  4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   4  o 267.103 5.4557  38656.38   1578.34  37647.44   1933.04  40674.42   2733.83  263.557 6.7717  273.855 9.2168  -10.29767      11.43701  
1 1 1 -1  4   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   7  o 310.212 6.6254  52190.30   2226.08  51211.75   2887.75  53623.39   3494.67  307.130 8.6810  314.121 10.272  -6.991547      13.44863  
1 1 1 -1  4   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   9  o 388.239 6.5819  81725.51   2767.69  84901.88   3914.32  78549.86   3913.89  395.493 9.1379  380.376 9.5000  15.11749       13.18152  
1 1 1 -1  4   10 o 628.629 14.716  214888.09  10019.63 207669.50  14169.65 222107.09  14170.14 616.620 21.216  637.871 20.510  -21.25110      29.50944  
1 1 1 -1  4   11 o 698.349 36.880  270458.69  27796.28 0.0000     0.0000   270458.69  27796.28 ?       ?       698.349 36.880  0.000000       36.87966  
1 1 1 -1  4   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   13 o 740.680 13.101  298017.81  10509.70 299178.69  13720.16 296369.31  16348.97 741.320 17.088  736.990 20.481  4.330505       26.67348  
1 1 1 -1  4   14 o 335.910 8.2423  61192.65   2998.74  61192.65   2998.74  0.0000     0.0000   335.910 8.2423  ?       ?       0.000000       8.242252  
1 1 1 -1  4   15 o 303.940 5.3367  50066.04   1756.84  50360.03   2485.00  49772.26   2484.11  304.717 7.5294  302.931 7.5710  1.785980       10.67765  
1 1 1 -1  4   16 o 284.286 5.0576  43806.02   1557.29  43474.49   2202.72  44137.31   2201.97  283.081 7.1842  285.234 7.1275  -2.153809      10.12001  
1 1 1 -1  4   17 o 375.803 6.4378  76625.14   2620.42  75365.52   3705.89  77884.68   3705.77  372.341 9.1893  378.536 9.0386  -6.195160      12.88948  
1 1 1 -1  4   18 o 423.206 7.1702  97278.18   3286.64  99851.38   4648.50  94706.09   4647.51  428.171 10.024  416.929 10.292  11.24197       14.36639  
1 1 1 -1  4   19 o 284.117 5.0373  43790.38   1550.12  44009.54   2192.91  43571.51   2191.50  284.585 7.1144  283.161 7.1456  1.424072       10.08336  
1 1 1 -1  4   20 o 316.694 5.9375  54466.90   2036.62  57442.66   2681.10  50407.38   3131.50  324.937 7.6181  304.000 9.5106  20.93701       12.18550  
1 1 1 -1  4   21 o 109.231 2.9260  6466.50    346.170  6630.98    483.362  6293.31    495.998  110.573 4.0360  107.713 4.2515  2.860748       5.862139  
1 1 1 -1  4   22 o 192.972 4.0410  20200.39   844.605  20200.82   1269.46  20200.05   1131.34  192.770 6.0801  192.842 5.4165  -0.7185364E-01 8.142867  
1 1 1 -1  4   23 o 283.061 5.0508  43528.20   1548.51  44185.17   2190.71  42872.19   2189.14  284.750 7.1031  280.462 7.2066  4.288208       10.11875  
1 1 1 -1  4   24 o 123.967 3.1081  8335.01    417.319  8702.01    592.857  7974.58    587.535  126.577 4.3244  121.159 4.4772  5.418648       6.224601  
1 1 1 -1  4   25 o 126.189 3.1342  8641.62    428.372  9043.07    604.755  8237.34    606.871  128.964 4.3295  123.059 4.5532  5.905342       6.282988  
1 1 1 -1  4   26 o 106.924 3.0004  6208.54    347.478  6262.61    491.189  6154.38    491.628  107.242 4.2288  106.305 4.2698  0.9363861      6.009494  
1 1 1 -1  4   27 o 61.035  1.9896  2020.94    131.526  1977.99    189.606  2060.78    182.604  60.323  2.9020  61.585  2.7376  -1.262127      3.989470  
1 1 1 -1  4   28 o 19.039  7.0608  159.873    193.669  83.940     274.950  234.646    272.842  19.648  8.0660  22.679  8.3867  -3.031090      11.63603  
1 1 1 -1  4   29 o 66.292  2.0213  2387.08    145.131  2350.42    205.027  2423.89    205.465  65.680  2.8821  66.704  2.8439  -1.023926      4.048981  
1 1 1 -1  4   30 o 68.924  2.7559  2590.26    205.733  3041.07    377.914  2400.39    245.260  74.049  4.7368  66.139  3.4356  7.909798       5.851553  
1 1 1 -1  4   31 o 87.329  3.2908  4181.76    311.263  4367.23    442.718  4000.47    437.710  88.598  4.6296  84.706  4.7905  3.891319       6.662039  
1 1 1 -1  4   32 f 55.443  4.0886  1713.04    243.787  1744.25    345.450  1682.08    344.087  55.141  5.8746  54.090  5.9730  1.051373       8.377804  
1 1 1 -1  4   33 o 50.578  4.4519  1444.32    241.393  1428.41    339.855  1460.51    342.929  49.177  6.5430  49.746  6.5218  -0.5693970     9.238223  
1 1 1 -1  4   34 o 44.910  1.7560  1101.23    85.416   1288.51    337.836  1088.44    88.285   45.505  7.0851  44.634  1.8262  0.8714447      7.316687  
1 1 1 -1  4   35 o 59.245  4.7453  2054.81    301.942  1919.29    494.501  2135.38    381.269  52.570  9.0089  59.069  6.0446  -6.498741      10.84886  
1 1 1 -1  4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   3  o 392.373 13.363  83633.39   5679.19  0.0000     0.0000   83633.39   5679.19  ?       ?       392.373 13.363  0.000000       13.36341  
1 1 1 -1  5   4  f 310.086 5.3516  52097.98   1797.36  52056.93   3594.61  52111.66   2075.43  309.732 10.715  310.101 6.1792  -0.3688049     12.36913  
1 1 1 -1  5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   7  o 216.496 5.6324  25409.76   1320.73  25530.16   1895.34  25296.11   1841.40  216.887 8.0684  215.902 7.8745  0.9852753      11.27413  
1 1 1 -1  5   8  o 376.038 6.3907  76687.46   2602.88  78548.96   3681.01  74825.93   3681.05  380.316 8.9362  371.167 9.1565  9.148254       12.79444  
1 1 1 -1  5   9  o 224.397 4.3948  27283.38   1068.13  26899.74   1417.76  27786.99   1624.37  222.768 5.8760  226.383 6.6248  -3.615631      8.855192  
1 1 1 -1  5   10 o 579.814 10.295  182421.50  6465.39  181200.70  10042.79 183285.50  8449.20  577.054 16.068  580.784 13.432  -3.729736      20.94275  
1 1 1 -1  5   11 f 314.374 5.8481  53550.72   1991.28  53077.82   2619.57  54198.01   3064.74  312.920 7.7291  316.154 8.9500  -3.234314      11.82546  
1 1 1 -1  5   12 o 272.566 5.4608  40252.94   1612.11  42016.62   1965.34  36625.63   2818.51  278.445 6.5167  259.846 10.015  18.59921       11.94822  
1 1 1 -1  5   13 o 275.876 5.6770  41240.13   1696.29  43726.58   2937.61  39996.34   2077.68  283.919 9.5528  271.640 7.0618  12.27866       11.87959  
1 1 1 -1  5   14 o 272.978 6.9150  40395.25   2044.50  40395.25   2044.50  0.0000     0.0000   272.978 6.9150  ?       ?       0.000000       6.914951  
1 1 1 -1  5   15 o 338.571 5.8604  62135.20   2149.07  61019.28   3039.15  63251.27   3039.34  335.357 8.3671  341.446 8.2184  -6.089569      11.72817  
1 1 1 -1  5   16 o 380.175 6.4944  78387.25   2674.20  78416.52   3782.07  78357.98   3781.71  379.967 9.1900  379.825 9.1925  0.1421509      12.99837  
1 1 1 -1  5   17 o 151.979 3.3089  12514.79   544.678  12590.84   771.461  12439.21   769.127  152.402 4.6736  151.482 4.6878  0.9209747      6.619516  
1 1 1 -1  5   18 o 77.274  2.8918  3235.34    242.031  3521.21    345.230  2959.03    339.412  80.599  3.9546  73.757  4.2669  6.842133       5.817693  
1 1 1 -1  5   19 o 65.844  2.9891  2349.27    213.171  2338.23    304.678  2359.87    298.360  65.525  4.3172  65.839  4.2059  -0.3135452     6.027259  
1 1 1 -1  5   20 o 165.542 3.4577  14854.96   619.968  15226.57   878.942  14487.00   874.609  167.523 4.8441  163.398 4.9419  4.125229       6.920128  
1 1 1 -1  5   21 o 57.252  3.2609  1782.58    201.374  1648.26    288.792  1909.70    280.942  54.891  4.9093  59.167  4.4158  -4.275982      6.603052  
1 1 1 -1  5   22 o 121.588 3.0693  8013.89    404.205  8173.43    573.123  7855.99    570.154  122.734 4.3113  120.324 4.3749  2.410416       6.142277  
1 1 1 -1  5   23 o 207.386 4.1908  23342.41   941.338  23150.38   1256.54  23588.03   1421.10  206.352 5.6221  208.189 6.3023  -1.836929      8.445518  
1 1 1 -1  5   24 o 165.283 3.4900  14822.73   624.776  14714.12   884.999  14930.65   882.141  164.516 4.9667  165.729 4.9144  -1.212769      6.987052  
1 1 1 -1  5   25 o 176.050 3.6195  16832.00   690.171  17375.70   977.076  16290.59   975.025  178.634 5.0500  172.936 5.2055  5.697220       7.252564  
1 1 1 -1  5   26 o 60.573  3.2043  1998.86    209.475  2008.31    297.245  1989.54    295.250  60.533  4.5674  60.249  4.5582  0.2834396      6.452749  
1 1 1 -1  5   27 o 38.491  2.1666  806.557    89.958   1105.50    269.052  768.932    95.452   44.511  5.7127  37.561  2.3582  6.949490       6.180341  
1 1 1 -1  5   28 f 49.025  1.7047  1303.75    90.519   1365.71    94.934   683.657    300.332  50.174  1.7469  34.216  8.2092  15.95826       8.393012  
1 1 1 -1  5   29 o 27.323  1.1422  404.684    33.803   336.674    48.496   468.950    47.142   24.838  1.8153  29.365  1.4870  -4.527805      2.346586  
1 1 1 -1  5   30 o 38.663  1.7431  811.738    72.993   713.743    262.904  819.923    75.980   34.921  7.1903  38.853  1.8055  -3.931755      7.413550  
1 1 1 -1  5   31 o 36.060  1.2666  705.498    49.470   -38.2607   293.338  727.271    50.188   17.850  7.8491  36.612  1.2656  -18.76170      7.950464  
1 1 1 -1  5   32 o 46.350  4.6328  1209.92    229.456  1467.28    326.279  958.100    322.749  50.418  6.0990  39.835  7.7595  10.58288       9.869494  
1 1 1 -1  5   33 o 38.924  5.4826  878.684    224.736  603.074    317.253  1156.29    318.399  30.710  8.9741  43.960  6.9156  -13.24997      11.32961  
1 1 1 -1  5   34 o 12.860  1.8790  92.263     25.400   15.377     296.403  92.832     25.494   17.829  7.8630  12.901  1.8798  4.928927       8.084562  
1 1 1 -1  5   35 o 18.418  7.5866  144.421    244.255  338.087    388.692  18.036     313.997  23.559  9.6216  17.864  7.9730  5.694956       12.49577  
1 1 1 -1  5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   2  o 200.107 4.3635  21692.48   945.723  21239.59   1158.22  22598.49   1638.18  197.990 5.4010  204.180 7.4076  -6.190140      9.167537  
1 1 1 -1  6   3  o 299.581 5.2284  48626.74   1696.51  48358.02   2399.24  48895.45   2399.22  298.681 7.4164  300.338 7.3755  -1.656677      10.45951  
1 1 1 -1  6   4  o 418.614 14.185  95231.71   6431.32  95231.71   6431.32  0.0000     0.0000   418.614 14.185  ?       ?       0.000000       14.18458  
1 1 1 -1  6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   9  o 224.840 4.1645  27389.42   1014.17  28258.59   1434.06  26519.79   1434.44  228.331 5.7987  221.189 5.9876  7.142685       8.335225  
1 1 1 -1  6   10 o 187.353 4.2131  19015.24   854.931  18660.53   1209.02  19370.00   1209.09  185.566 6.0154  189.063 5.9045  -3.496964      8.429002  
1 1 1 -1  6   11 o 309.540 5.3996  51912.42   1810.29  54506.31   2560.42  49319.71   2559.84  317.113 7.4546  301.635 7.8354  15.47839       10.81505  
1 1 1 -1  6   12 o 225.499 4.1654  27545.57   1017.36  27844.46   1439.12  27246.99   1438.40  226.687 5.8614  224.240 5.9223  2.446579       8.332479  
1 1 1 -1  6   13 o 395.549 7.7702  84823.97   3328.91  84507.73   5763.97  84982.24   4077.73  394.375 13.494  395.810 9.5118  -1.434723      16.50948  
1 1 1 -1  6   14 o 228.827 6.5489  28382.21   1623.09  28382.21   1623.09  0.0000     0.0000   228.827 6.5489  ?       ?       0.000000       6.548882  
1 1 1 -1  6   15 o 143.398 3.2225  11139.10   500.507  10899.22   706.927  11380.19   708.724  141.825 4.6020  144.922 4.5151  -3.097015      6.447124  
1 1 1 -1  6   16 o 233.540 4.3362  29556.26   1096.84  28440.19   1550.95  30672.94   1551.37  229.007 6.2529  237.838 6.0223  -8.831314      8.681413  
1 1 1 -1  6   17 o 554.368 9.6885  167148.20  5817.35  173488.41  7605.47  158208.70  9030.93  563.997 12.450  537.541 15.511  26.45563       19.89001  
1 1 1 -1  6   18 o 405.712 7.3914  89420.66   3248.01  89396.34   5023.53  89438.15   4257.65  404.768 11.459  405.294 9.6991  -0.5254822     15.01239  
1 1 1 -1  6   19 o 64.337  2.3372  2242.47    162.867  2382.38    196.961  1939.96    289.619  66.309  2.7424  59.640  4.5171  6.669430       5.284388  
1 1 1 -1  6   20 o 248.880 4.8031  33606.53   1294.75  34721.82   1714.95  32128.15   1974.47  252.813 6.2630  243.022 7.5013  9.790955       9.772095  
1 1 1 -1  6   21 o 140.660 3.1586  10724.40   481.212  11596.19   666.016  9772.22    696.050  146.214 4.2056  134.192 4.7890  12.02249       6.373476  
1 1 1 -1  6   22 o 144.710 3.2538  11353.14   509.982  11273.01   722.724  11432.60   719.733  144.118 4.6300  145.138 4.5785  -1.020142      6.511494  
1 1 1 -1  6   23 o 83.152  3.0204  3748.66    272.023  3858.91    387.031  3641.02    382.407  84.211  4.2571  81.786  4.3324  2.425156       6.073927  
1 1 1 -1  6   24 o 122.591 3.0630  8150.82    406.697  8364.26    580.148  7944.58    570.290  124.096 4.3163  120.939 4.3537  3.156433       6.130679  
1 1 1 -1  6   25 o 108.063 2.9930  6336.37    350.313  6188.73    495.688  6483.68    495.147  106.688 4.2897  109.211 4.1860  -2.523064      5.993626  
1 1 1 -1  6   26 o 73.217  2.9943  2911.24    237.454  3006.98    336.288  2816.04    335.336  74.194  4.2021  71.771  4.3341  2.422272       6.036701  
1 1 1 -1  6   27 o 75.158  1.9972  3064.52    162.577  3796.13    252.192  2544.28    212.665  83.579  2.7859  68.417  2.8699  15.16211       3.999687  
1 1 1 -1  6   28 o 76.587  2.7107  3190.04    224.860  3267.98    275.579  3034.78    388.952  77.440  3.2856  74.199  4.8668  3.241394       5.872021  
1 1 1 -1  6   29 o 29.468  1.0127  470.616    32.322   477.031    46.192   464.461    45.244   29.657  1.4381  29.264  1.4275  0.3930054      2.026243  
1 1 1 -1  6   30 o 42.841  2.2306  1001.09    103.144  972.828    109.392  1227.44    309.608  42.206  2.4030  46.395  6.3263  -4.188774      6.767256  
1 1 1 -1  6   31 o 50.343  1.7773  1377.54    96.910   1487.33    137.601  1269.49    136.509  52.227  2.4325  48.154  2.6273  4.073082       3.580483  
1 1 1 -1  6   32 o 68.671  3.6099  2608.38    267.557  2606.10    379.798  2610.62    376.984  67.885  5.2051  67.970  5.1593  -0.8402252E-01 7.328779  
1 1 1 -1  6   33 o 19.708  1.5564  212.553    32.951   -97.0914   291.015  216.574    33.164   16.644  7.5308  19.895  1.5513  -3.250769      7.688922  
1 1 1 -1  6   34 o 43.217  5.1498  1095.44    236.309  1157.45    330.923  1030.93    337.559  42.808  7.4053  39.793  8.1073  3.015354       10.98028  
1 1 1 -1  6   35 o 55.091  2.2369  1671.40    133.473  1038.72    451.920  1731.86    139.706  36.242  10.744  56.051  2.3012  -19.80902      10.98776  
1 1 1 -1  6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   4  o 478.096 16.064  124350.60  8318.40  0.0000     0.0000   124350.60  8318.40  ?       ?       478.096 16.064  0.000000       16.06402  
1 1 1 -1  7   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   7  o 175.780 3.5011  16740.25   666.565  17104.60   942.468  16375.59   942.862  177.647 4.8982  173.816 5.0083  3.830200       7.005380  
1 1 1 -1  7   8  o 450.447 8.6788  110165.90  4234.23  111334.60  5185.79  107828.10  7334.08  452.547 10.580  444.452 15.235  8.094879       18.54855  
1 1 1 -1  7   9  o 290.634 5.5668  45779.45   1752.36  45646.28   2691.92  45877.38   2308.46  290.056 8.5686  290.862 7.3277  -0.8052368     11.27454  
1 1 1 -1  7   10 o 103.480 2.6838  5799.78    300.795  5987.81    424.678  5610.48    426.103  105.138 3.7293  101.771 3.8657  3.367607       5.371319  
1 1 1 -1  7   11 o 644.114 15.031  225472.91  10486.13 0.0000     0.0000   225472.91  10486.13 ?       ?       644.114 15.031  0.000000       15.03080  
1 1 1 -1  7   12 o 197.716 4.0059  21175.82   857.856  21071.34   1144.89  21309.58   1295.38  197.207 5.3601  198.306 6.0310  -1.099167      8.068690  
1 1 1 -1  7   13 o 358.766 7.8915  69784.41   3066.50  62795.04   4793.57  74625.98   3989.64  339.992 13.017  370.879 9.9319  -30.88693      16.37348  
1 1 1 -1  7   14 o 544.567 15.429  161414.09  9100.24  161414.09  9100.24  0.0000     0.0000   544.567 15.429  ?       ?       0.000000       15.42877  
1 1 1 -1  7   15 o 457.696 8.8947  113693.80  4409.41  112776.00  7637.40  114152.70  5400.37  454.842 15.503  458.373 10.878  -3.530853      18.93845  
1 1 1 -1  7   16 o 325.310 6.0416  57385.00   2128.73  57139.28   2799.41  57721.89   3277.84  324.458 7.9660  325.976 9.2839  -1.518494      12.23309  
1 1 1 -1  7   17 o 64.611  2.3993  2261.39    167.903  2279.52    204.312  2223.67    294.679  64.866  2.9081  63.908  4.2819  0.9574852      5.176084  
1 1 1 -1  7   18 o 322.995 6.0333  56616.91   2110.69  57511.59   3250.12  55964.37   2775.65  325.080 9.2308  320.875 7.9865  4.204651       12.20625  
1 1 1 -1  7   19 o 287.122 5.0893  44724.75   1582.69  45084.17   2238.42  44365.44   2238.10  288.021 7.1754  285.708 7.2325  2.313080       10.18803  
1 1 1 -1  7   20 o 180.492 3.6379  17661.17   711.175  18053.72   1006.44  17269.70   1005.07  182.394 5.0946  178.382 5.2021  4.012283       7.281202  
1 1 1 -1  7   21 o 120.151 3.0255  7824.46    393.723  7813.54    560.387  7835.11    553.297  120.016 4.3110  120.184 4.2505  -0.1683502     6.054068  
1 1 1 -1  7   22 o 136.687 3.2442  10129.08   480.297  10481.21   662.946  9740.06    696.803  138.979 4.4041  133.949 4.8029  5.029419       6.516429  
1 1 1 -1  7   23 o 244.179 4.8413  32383.78   1280.39  32573.38   1953.04  32240.87   1695.62  244.420 7.3774  243.367 6.4327  1.053345       9.788059  
1 1 1 -1  7   24 f 43.519  2.0262  1026.31    95.504   1031.96    102.503  989.158    262.969  43.636  2.1688  42.217  5.9133  1.419254       6.298445  
1 1 1 -1  7   25 o 146.710 3.3693  11685.29   535.393  10922.75   779.727  12365.54   736.445  141.618 5.0834  150.772 4.5097  -9.153610      6.795459  
1 1 1 -1  7   26 o 69.362  2.5551  2610.79    191.954  2266.17    236.674  3273.25    328.137  64.482  3.4008  77.458  3.9241  -12.97637      5.192683  
1 1 1 -1  7   27 o 61.673  2.2174  2064.41    148.122  2195.00    173.439  1712.47    284.725  63.573  2.5188  55.751  4.7609  7.822250       5.386136  
1 1 1 -1  7   28 o 46.400  2.2605  1169.41    113.604  1196.06    121.889  993.110    313.481  46.855  2.4100  41.654  7.2094  5.201134       7.601561  
1 1 1 -1  7   29 o 101.179 2.8216  5576.96    309.216  5761.53    436.438  5390.92    438.160  102.556 3.9291  99.159  4.0797  3.397423       5.664094  
1 1 1 -1  7   30 o 34.200  2.2085  638.865    81.371   610.379    84.540   997.664    300.034  33.407  2.3515  41.543  6.9109  -8.136509      7.299973  
1 1 1 -1  7   31 o 47.884  1.9929  1247.47    103.357  1009.23    317.304  1275.75    109.320  41.374  7.3501  48.413  2.0848  -7.039455      7.640019  
1 1 1 -1  7   32 o 45.142  2.1659  1111.03    105.898  1101.82    112.305  1184.86    318.068  44.874  2.3186  44.929  6.7443  -0.5522156E-01 7.131751  
1 1 1 -1  7   33 o 58.814  3.9726  1934.96    251.575  1959.65    356.315  1910.42    355.248  58.215  5.7251  57.432  5.7899  0.7825851      8.142449  
1 1 1 -1  7   34 o 44.798  4.9671  1170.78    236.952  1159.81    333.189  1182.02    337.045  42.785  7.4614  43.189  7.4759  -0.4040337     10.56222  
1 1 1 -1  7   35 o 20.212  8.4471  184.698    309.046  369.412    388.083  -135.4874  510.946  24.035  9.6874  19.908  9.3440  4.126614       13.45943  
1 1 1 -1  7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   1  o 317.078 11.046  54561.34   3793.44  0.0000     0.0000   54561.34   3793.44  ?       ?       317.078 11.046  0.000000       11.04578  
1 1 1 -1  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   7  o 267.396 4.7744  38752.05   1382.74  38206.65   1955.36  39297.61   1955.62  265.398 6.8023  269.167 6.7080  -3.768494      9.553484  
1 1 1 -1  8   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   9  o 329.471 5.6936  58832.07   2031.78  57051.10   2873.04  60613.86   2873.70  324.311 8.1792  334.300 7.9366  -9.988739      11.39688  
1 1 1 -1  8   10 o 527.174 8.7713  150704.80  5008.31  146535.41  7082.51  154874.91  7083.12  519.465 12.588  534.081 12.245  -14.61664      17.56111  
1 1 1 -1  8   11 o 783.244 18.204  333938.69  15443.23 318314.09  21839.57 349564.59  21840.49 762.535 26.443  799.477 25.222  -36.94263      36.54330  
1 1 1 -1  8   12 o 384.647 7.0074  80190.07   2919.36  81418.03   3828.67  78484.48   4512.24  387.471 9.1230  380.311 10.954  7.160614       14.25571  
1 1 1 -1  8   13 o 370.163 7.9601  74290.51   3191.41  71342.95   4986.58  76335.41   4153.46  362.418 12.704  375.080 10.224  -12.66266      16.30665  
1 1 1 -1  8   14 o 353.729 8.5725  67868.54   3284.33  67868.54   3284.33  0.0000     0.0000   353.729 8.5725  ?       ?       0.000000       8.572468  
1 1 1 -1  8   15 o 66.371  3.0498  2386.24    219.238  2455.80    304.741  2311.61    315.645  67.192  4.2086  65.160  4.5000  2.031975       6.161385  
1 1 1 -1  8   16 o 354.092 6.5991  68006.95   2530.88  68387.54   3902.81  67730.76   3324.69  354.701 10.159  353.169 8.6916  1.532013       13.36960  
1 1 1 -1  8   17 o 411.312 7.6303  91868.88   3399.25  91517.20   4454.29  92359.30   5260.12  410.118 10.028  411.629 11.798  -1.510986      15.48399  
1 1 1 -1  8   18 o 110.090 2.9353  6566.79    350.002  6768.85    495.254  6365.17    494.702  111.744 4.0920  108.358 4.2152  3.386635       5.874666  
1 1 1 -1  8   19 f 239.452 4.9846  31104.66   1292.76  30476.54   1826.36  31735.36   1830.11  236.810 7.1206  241.667 6.9918  -4.856339      9.979396  
1 1 1 -1  8   20 o 329.295 5.7122  58877.89   2037.30  58595.60   2881.02  59160.25   2881.34  328.069 8.1080  329.654 8.0699  -1.585052      11.43948  
1 1 1 -1  8   21 o 197.973 3.9624  21255.62   849.641  22357.29   1136.95  19862.28   1278.63  202.937 5.1726  191.180 6.1750  11.75719       8.055198  
1 1 1 -1  8   22 o 117.122 3.0163  7435.87    382.632  7468.68    541.178  7403.07    541.070  117.325 4.2587  116.807 4.2767  0.5173569      6.035497  
1 1 1 -1  8   23 o 71.484  3.0898  2770.63    239.224  3104.99    338.591  2437.37    338.037  75.524  4.1552  66.831  4.6999  8.693275       6.273337  
1 1 1 -1  8   24 o 159.331 3.4048  13773.67   587.581  13610.97   830.664  13936.62   831.268  158.237 4.8467  160.126 4.7930  -1.888351      6.816428  
1 1 1 -1  8   25 o 108.162 2.9163  6347.58    341.651  6464.55    492.121  6238.75    474.685  109.047 4.1667  107.133 4.0908  1.913918       5.839168  
1 1 1 -1  8   26 o 82.834  2.6497  3724.18    237.721  3693.83    307.951  3768.92    373.956  82.432  3.4492  83.195  4.1501  -0.7630692     5.396299  
1 1 1 -1  8   27 o 106.184 2.8339  6128.36    325.918  6623.79    449.126  5577.26    473.688  110.239 3.7615  101.051 4.3279  9.187714       5.734104  
1 1 1 -1  8   28 o 105.514 3.0274  6061.51    345.981  6212.79    467.837  5878.91    513.995  106.598 4.0520  103.557 4.5826  3.041031       6.117098  
1 1 1 -1  8   29 o 43.236  1.6156  1014.35    75.658   1285.56    107.068  743.871    106.924  48.647  2.0321  36.865  2.6966  11.78228       3.376549  
1 1 1 -1  8   30 o 14.080  4.3515  109.089    73.075   39.535     75.359   1204.81    299.106  11.011  4.3240  46.009  6.1565  -34.99827      7.523300  
1 1 1 -1  8   31 o 93.859  2.9312  4818.87    297.983  4911.35    388.404  4686.56    464.574  94.436  3.7973  91.739  4.6912  2.697067       6.035478  
1 1 1 -1  8   32 o 38.073  5.4449  832.724    218.139  693.461    308.339  972.271    308.652  33.468  8.4922  40.339  7.3347  -6.870586      11.22120  
1 1 1 -1  8   33 o 62.338  2.1315  2121.99    143.916  2232.58    203.920  2012.24    203.137  63.700  2.9556  60.346  3.1186  3.354595       4.296667  
1 1 1 -1  8   34 o 44.047  4.9970  1133.70    234.173  1121.21    331.462  1146.15    330.879  41.938  7.5760  42.507  7.4588  -0.5690956     10.63151  
1 1 1 -1  8   35 o 43.013  7.7130  1220.64    346.125  1686.98    443.639  495.197    553.328  49.741  8.5424  26.456  11.193  23.28525       14.08066  
1 1 1 -1  8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   7  o 555.536 10.672  167813.09  6421.63  161725.30  11122.44 170857.09  7864.90  543.021 18.911  560.013 12.967  -16.99219      22.92937  
1 1 1 -1  9   8  o 145.234 3.1202  11426.42   490.821  11921.70   693.836  10930.31   694.417  148.327 4.3188  142.022 4.5144  6.305115       6.247540  
1 1 1 -1  9   9  o 541.943 10.403  159451.80  6106.18  161851.70  7478.56  154652.41  10576.07 545.681 12.653  532.330 18.343  13.35065       22.28407  
1 1 1 -1  9   10 f 710.706 16.592  274805.91  12771.80 283560.31  18062.12 266051.69  18062.00 720.369 23.150  697.568 23.906  22.80103       33.27773  
1 1 1 -1  9   11 o 312.886 5.4588  53041.36   1849.92  53577.71   2615.52  52504.46   2616.84  314.393 7.6810  311.225 7.7630  3.167877       10.92071  
1 1 1 -1  9   12 o 308.336 5.8936  51515.91   1968.23  52477.37   3028.11  50812.54   2589.97  311.080 8.9873  306.157 7.8105  4.923645       11.90697  
1 1 1 -1  9   13 o 300.964 6.0014  49086.32   1956.30  44074.60   3382.19  51606.04   2398.17  284.963 10.958  308.547 7.1761  -23.58420      13.09880  
1 1 1 -1  9   14 o 672.899 15.770  246543.30  11493.75 246543.30  11493.75 0.0000     0.0000   672.899 15.770  ?       ?       0.000000       15.77037  
1 1 1 -1  9   15 o 625.783 10.358  212720.41  7020.46  214325.41  9928.21  211115.30  9928.65  627.196 14.615  622.453 14.727  4.743713       20.74802  
1 1 1 -1  9   16 o 166.082 3.5332  14944.53   635.567  14006.24   939.427  15736.49   863.073  160.735 5.3961  170.396 4.6765  -9.661621      7.140560  
1 1 1 -1  9   17 o 147.117 3.2422  11726.83   516.613  11483.47   728.292  11973.31   732.933  145.544 4.6200  148.618 4.5532  -3.073975      6.486617  
1 1 1 -1  9   18 f 252.630 5.2850  34619.66   1446.11  34140.29   2044.33  35099.75   2045.90  250.664 7.5299  254.173 7.4316  -3.508774      10.57962  
1 1 1 -1  9   19 o 51.033  3.2785  1417.27    180.258  1307.63    254.470  1527.70    255.380  48.856  4.8740  52.884  4.5013  -4.028309      6.634558  
1 1 1 -1  9   20 o 123.054 3.0227  8206.34    402.863  7785.92    569.173  8628.41    570.296  119.811 4.3861  126.136 4.1744  -6.324951      6.055004  
1 1 1 -1  9   21 o 101.288 2.8386  5560.01    311.407  5364.94    424.598  5787.09    458.102  99.461  3.9414  103.295 4.0946  -3.833252      5.683382  
1 1 1 -1  9   22 o 117.588 3.0016  7495.07    382.289  7180.30    537.402  7817.54    543.933  115.034 4.3132  120.037 4.1837  -5.002953      6.008939  
1 1 1 -1  9   23 o 114.445 3.0437  7101.33    377.279  6552.91    530.614  7662.07    536.540  109.863 4.4592  118.817 4.1692  -8.953308      6.104652  
1 1 1 -1  9   24 o 131.021 3.1455  9311.49    446.376  9229.98    630.882  9393.20    631.661  130.340 4.4689  131.491 4.4353  -1.150574      6.296219  
1 1 1 -1  9   25 o 203.467 3.9441  22498.12   869.184  22941.88   1229.12  22054.23   1229.31  205.118 5.5325  201.083 5.6444  4.035400       7.903616  
1 1 1 -1  9   26 o 133.762 3.2371  9722.63    468.984  9957.28    651.070  9469.57    676.125  135.164 4.4473  131.755 4.7379  3.408493       6.498204  
1 1 1 -1  9   27 o 70.755  3.0712  2722.96    235.363  2878.39    346.160  2589.33    320.971  72.445  4.4329  68.717  4.3347  3.727875       6.200072  
1 1 1 -1  9   28 o 33.056  2.4405  597.039    86.759   546.733    90.540   1161.82    303.368  31.596  2.6707  45.377  6.3461  -13.78127      6.885185  
1 1 1 -1  9   29 o 80.278  2.4381  3505.76    211.995  3564.66    298.757  3446.03    300.868  80.777  3.4148  79.404  3.4983  1.372597       4.888670  
1 1 1 -1  9   30 o 3.8168  1.9266  -124.6375  37.754   -133.3231  38.094   356.326    283.471  3.7452  1.8956  25.412  8.6283  -21.66659      8.834035  
1 1 1 -1  9   31 o 50.601  1.8693  1392.33    102.451  1476.01    108.313  681.458    315.696  52.093  1.9197  33.412  8.6543  18.68100       8.864635  
1 1 1 -1  9   32 o 68.007  2.2395  2522.81    164.957  2558.35    232.717  2486.92    233.857  68.244  3.1484  67.266  3.2099  0.9781876      4.496188  
1 1 1 -1  9   33 o 41.504  5.1389  990.644    226.071  777.095    317.722  1209.63    321.741  35.027  8.4681  45.001  6.8143  -9.973755      10.86939  
1 1 1 -1  9   34 o 31.859  1.6964  555.590    58.325   473.250    305.504  558.704    59.418   26.542  8.9576  31.943  1.7238  -5.400616      9.121922  
1 1 1 -1  9   35 o 36.562  8.4932  924.811    329.907  1082.00    423.700  682.770    525.768  37.772  10.143  28.909  11.399  8.863461       15.25831  
1 1 1 -1  9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  2  f 161.410 3.3334  14111.83   582.760  14479.65   824.108  13743.95   824.185  163.485 4.6541  159.276 4.7775  4.209000       6.669746  
1 1 1 -1  10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  6  o 399.073 9.5169  86488.93   4113.58  0.0000     0.0000   86488.93   4113.58  ?       ?       399.073 9.5169  0.000000       9.516950  
1 1 1 -1  10  7  o 373.129 6.8075  75523.02   2751.18  72756.77   7678.47  75930.45   2946.83  363.543 19.573  374.091 7.2729  -10.54794      20.88033  
1 1 1 -1  10  8  o 26.936  1.6175  394.365    46.972   307.684    52.871   719.066    102.329  23.744  2.0768  36.341  2.6173  -12.59719      3.341159  
1 1 1 -1  10  9  o 577.907 11.054  181348.80  6918.82  171811.09  11983.36 186118.09  8473.92  560.873 19.726  585.095 13.372  -24.22162      23.83121  
1 1 1 -1  10  10 o 513.592 8.4921  143018.30  4723.92  135663.50  6680.17  150375.20  6681.09  499.882 12.338  526.353 11.719  -26.47110      17.01678  
1 1 1 -1  10  11 o 285.904 5.4975  44287.91   1702.38  42505.86   2242.57  46711.45   2615.24  280.039 7.3936  293.537 8.2258  -13.49728      11.06026  
1 1 1 -1  10  12 o 347.777 5.9736  65539.56   2250.14  65765.17   3182.31  65313.98   3182.05  348.271 8.4363  347.073 8.4648  1.198151       11.95092  
1 1 1 -1  10  13 o 534.875 10.278  155241.41  5954.29  153065.80  10310.79 156329.91  7293.32  530.034 17.960  536.485 12.552  -6.450745      21.91164  
1 1 1 -1  10  14 o 459.723 9.7270  114694.90  4843.34  116978.60  5336.23  104018.10  11538.26 464.185 10.614  434.684 24.608  29.50076       26.79971  
1 1 1 -1  10  15 o 510.487 9.1454  141469.09  5056.60  146622.59  6613.99  134219.41  7844.71  519.291 11.759  496.307 14.593  22.98441       18.74164  
1 1 1 -1  10  16 o 155.131 3.3583  13038.22   564.266  13230.05   795.857  12844.32   800.146  156.236 4.7031  153.939 4.7990  2.297058       6.719320  
1 1 1 -1  10  17 o 495.157 8.2825  133218.30  4441.94  138370.91  6281.77  128065.50  6281.94  503.867 11.511  484.616 11.968  19.25131       16.60506  
1 1 1 -1  10  18 o 173.014 3.5315  16222.70   661.771  16661.22   934.401  15781.39   937.377  175.276 4.9220  170.578 5.0737  4.698334       7.068812  
1 1 1 -1  10  19 o 211.067 4.1628  24155.26   951.657  25776.10   1268.52  22068.65   1439.29  217.944 5.3738  201.559 6.5929  16.38564       8.505527  
1 1 1 -1  10  20 o 259.540 4.6958  36544.88   1320.03  35540.71   1864.82  37553.34   1868.80  255.708 6.7332  262.873 6.5637  -7.164505      9.403068  
1 1 1 -1  10  21 o 492.460 8.8583  132282.30  4724.88  133799.41  7327.20  131202.30  6181.83  492.811 13.727  489.161 11.668  3.649841       18.01619  
1 1 1 -1  10  22 o 227.578 4.5442  28109.37   1120.09  28576.74   1488.81  27499.81   1700.26  229.276 5.9953  224.762 6.9843  4.514328       9.204586  
1 1 1 -1  10  23 o 193.261 4.0235  20268.43   842.215  20679.30   1263.61  19940.02   1129.74  194.968 5.9839  191.526 5.4461  3.442368       8.091108  
1 1 1 -1  10  24 o 118.857 3.0724  7662.35    395.521  7398.36    556.888  7931.06    561.846  116.696 4.4060  120.834 4.2930  -4.137863      6.151585  
1 1 1 -1  10  25 o 138.139 3.2032  10358.29   479.255  10279.73   677.252  10437.10   678.289  137.450 4.5492  138.502 4.5216  -1.052063      6.414019  
1 1 1 -1  10  26 o 28.765  1.4219  448.381    44.301   397.598    219.301  450.542    45.234   26.471  7.3746  28.797  1.4550  -2.325193      7.516803  
1 1 1 -1  10  27 o 142.124 3.2021  10991.21   492.917  11189.73   698.688  10794.50   695.504  143.068 4.5089  140.501 4.5704  2.567444       6.420141  
1 1 1 -1  10  28 o 36.400  5.4561  745.338    208.477  840.826    294.142  648.950    295.526  38.199  7.3765  33.319  8.2360  4.880295       11.05644  
1 1 1 -1  10  29 o 31.017  1.5464  521.952    51.949   522.769    52.822   497.826    286.929  31.000  1.5784  29.183  8.5363  1.817039       8.680986  
1 1 1 -1  10  30 o 63.832  2.6451  2221.05    182.872  2153.50    212.063  2417.00    361.182  62.775  3.1190  65.824  5.1060  -3.049709      5.983258  
1 1 1 -1  10  31 o 37.158  2.1304  754.182    85.383   743.308    88.885   884.093    307.216  36.872  2.2362  38.533  7.6310  -1.660477      7.951952  
1 1 1 -1  10  32 o 40.409  1.5344  887.312    67.157   744.323    94.914   1030.67    95.036   36.845  2.3913  43.497  2.0173  -6.652222      3.128528  
1 1 1 -1  10  33 o 4.5686  2.2624  -96.8319   41.825   -109.5627  42.249   527.816    295.941  4.4125  2.1998  28.844  8.7272  -24.43160      9.000202  
1 1 1 -1  10  34 o 33.290  1.4919  603.903    53.792   604.327    54.640   590.553    306.537  33.298  1.5150  29.358  8.8820  3.940477       9.010251  
1 1 1 -1  10  35 o 19.689  8.4603  137.568    324.794  303.915    391.153  -231.7967  582.863  22.990  9.5467  20.237  9.6402  2.752926       13.56734  
1 1 1 -1  10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  3  o 274.842 4.8901  40925.75   1455.69  41358.11   2058.69  40493.41   2058.63  276.232 6.8809  273.326 6.9539  2.905457       9.782822  
1 1 1 -1  11  4  o 383.817 6.5179  79848.34   2709.57  78811.46   3831.93  80885.19   3831.89  381.146 9.2823  386.137 9.1622  -4.990601      13.04253  
1 1 1 -1  11  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  6  o 312.015 6.2135  52789.08   2099.83  46472.61   3636.07  55949.74   2572.08  292.306 11.485  321.135 7.3948  -28.82977      13.65960  
1 1 1 -1  11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  9  o 418.780 8.1517  95106.28   3697.44  88787.56   6403.61  98266.45   4528.62  404.012 14.634  425.548 9.8253  -21.53571      17.62634  
1 1 1 -1  11  10 f 338.204 5.8439  61977.95   2140.67  62037.49   3027.08  61918.38   3027.64  338.274 8.2620  337.948 8.2715  0.3253479      11.69095  
1 1 1 -1  11  11 o 522.412 10.043  148030.59  5682.47  145932.00  6959.29  152228.91  9843.15  518.482 12.393  528.964 17.181  -10.48285      21.18366  
1 1 1 -1  11  12 o 70.064  2.1799  2658.64    165.425  2767.82    206.602  2463.59    276.136  71.486  2.6683  67.332  3.8020  4.154694       4.644922  
1 1 1 -1  11  13 o 185.268 4.1638  18594.55   835.526  16730.39   1432.84  19555.02   1028.49  175.670 7.5306  189.979 4.9983  -14.30870      9.038435  
1 1 1 -1  11  14 o 398.759 8.5197  86252.91   3679.62  87913.34   4062.76  78674.27   8679.72  402.514 9.3190  378.641 21.250  23.87271       23.20393  
1 1 1 -1  11  15 f 217.201 4.1159  25561.16   968.265  25425.08   1367.86  25697.82   1370.81  216.567 5.8315  217.727 5.8129  -1.159149      8.233864  
1 1 1 -1  11  16 o 538.649 8.9373  157603.09  5214.16  154280.80  7373.38  160926.41  7374.48  532.100 12.794  543.508 12.527  -11.40833      17.90575  
1 1 1 -1  11  17 o 204.065 4.1123  22570.33   908.919  21859.51   1368.94  23130.74   1215.51  200.714 6.2971  206.519 5.4341  -5.805069      8.317587  
1 1 1 -1  11  18 o 117.708 2.9654  7507.29    378.062  7376.68    535.140  7637.43    534.182  116.648 4.2356  118.694 4.1552  -2.046158      5.933477  
1 1 1 -1  11  19 o 115.261 2.9758  7199.13    371.493  7536.75    522.282  6853.41    528.514  117.900 4.0900  112.420 4.3406  5.480301       5.963925  
1 1 1 -1  11  20 o 264.283 4.7862  37895.77   1370.03  38284.60   1937.29  37506.76   1937.74  265.392 6.7396  262.672 6.8110  2.720184       9.581882  
1 1 1 -1  11  21 o 159.048 3.5751  13715.48   615.860  14282.47   867.516  13139.40   874.440  162.216 4.9376  155.571 5.1896  6.644989       7.163192  
1 1 1 -1  11  22 o 154.777 3.3500  12988.89   561.594  12720.49   793.526  13258.23   794.903  153.073 4.7862  156.282 4.6961  -3.209091      6.705282  
1 1 1 -1  11  23 o 172.566 3.5635  16153.04   666.045  15499.12   941.084  16809.31   942.779  168.888 5.1447  175.904 4.9484  -7.015778      7.138240  
1 1 1 -1  11  24 o 33.693  1.1112  614.906    40.551   810.501    69.444   513.707    49.951   38.677  1.6577  30.793  1.4977  7.884089       2.234067  
1 1 1 -1  11  25 o 136.439 3.2510  10106.18   480.422  10109.23   680.946  10103.16   677.903  136.290 4.6129  136.252 4.5936  0.3814697E-01  6.510023  
1 1 1 -1  11  26 o 86.963  2.6986  4105.54    254.186  4458.87    388.250  3840.49    336.273  90.501  3.9609  84.020  3.6952  6.481163       5.416926  
1 1 1 -1  11  27 o 77.168  3.1583  3240.00    263.974  3352.96    375.146  3129.21    371.511  78.199  4.4476  75.511  4.5639  2.687637       6.372620  
1 1 1 -1  11  28 o 99.949  3.0069  5439.15    325.517  5370.87    486.968  5494.29    437.670  98.981  4.5423  100.241 4.0312  -1.259979      6.073132  
1 1 1 -1  11  29 o 18.721  7.0377  151.141    193.685  96.917     271.388  207.430    276.508  19.667  8.0367  22.014  8.3779  -2.347315      11.60938  
1 1 1 -1  11  30 o 72.160  2.3540  2834.69    183.985  2519.86    257.222  3164.50    263.271  67.730  3.5185  76.076  3.1951  -8.346214      4.752748  
1 1 1 -1  11  31 o 10.336  3.7974  47.245     55.790   24.106     56.815   671.152    295.015  9.3125  3.7231  33.271  8.2318  -23.95825      9.034575  
1 1 1 -1  11  32 o 79.501  2.8421  3463.20    244.728  3286.25    302.611  3797.72    416.068  77.164  3.6208  82.312  4.6863  -5.148018      5.922115  
1 1 1 -1  11  33 o 46.567  2.2139  1185.18    111.664  1207.85    118.767  1012.48    327.806  46.987  2.3337  40.522  7.7513  6.464310       8.094966  
1 1 1 -1  11  34 o 33.197  1.4265  600.247    51.290   602.144    52.028   534.760    305.681  33.247  1.4448  27.946  8.9368  5.300501       9.052800  
1 1 1 -1  11  35 o 32.514  1.3292  576.009    46.811   -51.8790   391.427  585.119    47.149   18.568  8.5276  32.771  1.3284  -14.20243      8.630424  
1 1 1 -1  11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  1  o 416.180 14.108  94119.91   6359.53  0.0000     0.0000   94119.91   6359.53  ?       ?       416.180 14.108  0.000000       14.10826  
1 1 1 -1  12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  4  o 222.374 4.1068  26789.67   989.133  26908.39   1398.81  26670.93   1398.88  222.826 5.7959  221.840 5.8220  0.9860687      8.215127  
1 1 1 -1  12  5  o 363.233 7.1528  71549.16   2814.04  70961.09   3446.45  72725.38   4874.15  361.610 8.7996  365.716 12.305  -4.106476      15.12769  
1 1 1 -1  12  6  f 387.017 6.5730  81233.33   2755.28  81096.45   3896.57  81370.20   3896.55  386.408 9.3103  387.062 9.2946  -0.6535339     13.15567  
1 1 1 -1  12  7  o 657.910 22.036  238334.70  15702.39 238334.70  15702.39 0.0000     0.0000   657.910 22.036  ?       ?       0.000000       22.03581  
1 1 1 -1  12  8  o 190.211 3.7702  19601.27   776.736  16652.04   1467.15  20749.81   915.573  175.208 7.7312  195.693 4.3196  -20.48441      8.856144  
1 1 1 -1  12  9  o 570.343 9.3775  176465.50  5792.88  172806.30  11585.14 177685.30  6689.15  562.898 19.002  572.151 10.794  -9.252991      21.85392  
1 1 1 -1  12  10 o 160.888 4.1879  14021.97   729.787  15897.14   1483.37  13423.16   838.252  171.246 7.9976  157.407 4.9168  13.83902       9.388045  
1 1 1 -1  12  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  12 o 924.253 30.680  470075.81  30712.66 470075.81  30712.66 0.0000     0.0000   924.253 30.680  ?       ?       0.000000       30.68008  
1 1 1 -1  12  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  14 o 233.437 5.0112  29527.87   1267.02  30248.41   1550.93  28082.04   2196.94  236.236 6.0614  227.507 8.9157  8.729126       10.78100  
1 1 1 -1  12  15 o 130.804 3.0907  9268.40    437.879  9559.58    617.605  8974.09    620.915  132.825 4.2930  128.690 4.4547  4.134537       6.186614  
1 1 1 -1  12  16 o 584.281 10.417  185654.70  6592.37  186810.30  8614.91  184021.80  10240.42 585.237 13.591  579.950 16.303  5.287720       21.22469  
1 1 1 -1  12  17 o 224.972 4.2280  27433.84   1030.22  27925.16   1456.05  26941.30   1457.86  226.880 5.9253  222.840 6.0402  4.040192       8.461275  
1 1 1 -1  12  18 o 200.436 4.1079  21778.77   891.789  21484.01   1342.37  22011.63   1193.14  198.943 6.2298  201.425 5.4690  -2.482071      8.289748  
1 1 1 -1  12  19 o 256.611 4.9837  35724.54   1385.15  34331.17   1830.87  37589.58   2118.20  251.374 6.7246  262.937 7.4378  -11.56352      10.02704  
1 1 1 -1  12  20 o 192.711 3.7855  20135.50   790.136  20256.87   1116.21  20013.60   1118.63  193.179 5.3348  192.011 5.3789  1.167221       7.575765  
1 1 1 -1  12  21 o 288.603 5.1261  45216.71   1602.36  42700.45   2265.22  47736.80   2266.95  280.075 7.4673  296.212 7.0659  -16.13644      10.28050  
1 1 1 -1  12  22 o 162.783 3.6181  14370.56   637.908  14336.72   942.141  14399.21   866.833  162.454 5.3544  162.848 4.9145  -0.3933563     7.267928  
1 1 1 -1  12  23 o 177.282 3.7291  17051.04   716.037  17275.20   964.520  16775.82   1068.74  178.316 4.9940  175.645 5.6178  2.671173       7.516622  
1 1 1 -1  12  24 o 177.481 3.7765  17099.76   725.964  17146.05   977.951  17042.93   1083.48  177.548 5.0855  176.922 5.6542  0.6255341      7.604699  
1 1 1 -1  12  25 o 50.005  2.3992  1356.03    129.946  1267.15    145.800  1699.31    286.545  48.246  2.8022  55.661  4.8000  -7.415104      5.558058  
1 1 1 -1  12  26 o 70.363  2.5477  2687.11    194.161  2846.18    327.071  2600.55    241.274  72.158  4.2031  69.174  3.2203  2.983368       5.294971  
1 1 1 -1  12  27 o 181.748 3.6309  18001.00   714.743  18564.95   1013.22  17442.41   1008.40  184.023 5.0835  178.313 5.2213  5.709808       7.287236  
1 1 1 -1  12  28 o 42.395  2.3028  979.296    105.343  1243.32    306.663  943.972    112.168  47.007  6.1724  41.598  2.5012  5.408989       6.659964  
1 1 1 -1  12  29 o 78.403  3.3118  3357.07    281.232  3074.63    396.422  3643.25    399.035  74.497  4.9411  81.253  4.5525  -6.756348      6.718616  
1 1 1 -1  12  30 o 74.559  2.1010  3023.15    169.665  3301.33    266.347  2833.18    220.098  77.707  3.1646  72.057  2.8201  5.650093       4.238837  
1 1 1 -1  12  31 o 76.741  2.7751  3218.73    230.661  3291.92    281.780  3070.08    401.579  77.444  3.3593  74.019  5.0391  3.424736       6.056176  
1 1 1 -1  12  32 o 35.124  1.7770  672.897    67.381   663.634    69.070   855.322    306.518  34.873  1.8351  37.541  7.7935  -2.668083      8.006679  
1 1 1 -1  12  33 o 24.182  1.2823  318.570    33.467   191.102    47.319   446.147    47.339   18.532  2.4149  28.598  1.5339  -10.06628      2.860877  
1 1 1 -1  12  34 o 16.439  6.9725  63.674     215.546  278.409    293.693  -187.0206  317.333  22.117  8.5781  15.856  7.4170  6.261661       11.34002  
1 1 1 -1  12  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  13  1  o 437.914 14.790  104252.70  7015.03  104252.70  7015.03  0.0000     0.0000   437.914 14.790  ?       ?       0.000000       14.79007  
1 1 1 -1  13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  13  3  f 89.271  2.5030  4316.33    242.015  4346.02    341.727  4286.45    342.798  89.572  3.5224  88.956  3.5579  0.6162186      5.006589  
1 1 1 -1  13  4  o 408.320 13.878  90694.64   6137.63  0.0000     0.0000   90694.64   6137.63  ?       ?       408.320 13.878  0.000000       13.87811  
1 1 1 -1  13  5  o 195.115 4.3005  20627.79   908.825  21398.81   1575.11  20242.99   1112.73  198.627 7.3215  193.259 5.3160  5.367950       9.047881  
1 1 1 -1  13  6  o 284.390 4.9568  43836.67   1526.80  45268.79   2159.28  42404.69   2159.17  288.882 6.9011  279.579 7.1304  9.303497       9.923072  
1 1 1 -1  13  7  o 129.363 2.9626  9065.43    415.096  8575.39    911.204  9193.75    466.289  125.562 6.7246  130.270 3.3048  -4.708893      7.492798  
1 1 1 -1  13  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  13  9  o 156.935 3.2505  13340.33   552.513  12320.05   1103.47  13681.70   638.287  150.766 6.7576  158.926 3.7081  -8.160278      7.708087  
1 1 1 -1  13  10 o 357.001 6.6377  69067.59   2566.59  66334.30   4763.40  70185.74   3046.67  349.557 12.581  359.831 7.8173  -10.27475      14.81223  
1 1 1 -1  13  11 o 205.331 4.4934  22839.64   999.311  21804.17   1729.25  23358.82   1224.47  200.554 7.9608  207.636 5.4447  -7.082214      9.644634  
1 1 1 -1  13  12 o 839.278 15.931  383135.41  14481.27 385380.69  25082.55 382012.81  17735.77 838.065 27.633  837.120 19.561  0.9455566      33.85561  
1 1 1 -1  13  13 o 515.228 12.091  144171.50  6747.42  137790.41  9540.32  150557.91  9544.28  502.910 17.515  525.826 16.758  -22.91599      24.24060  
1 1 1 -1  13  14 o 393.463 9.4637  84017.74   4033.06  80838.80   5702.35  87199.50   5704.87  385.505 13.657  400.449 13.153  -14.94330      18.96091  
1 1 1 -1  13  15 o 181.634 3.8054  17874.21   748.625  17421.61   1004.54  18439.56   1122.72  179.285 5.1731  184.435 5.6203  -5.149734      7.638638  
1 1 1 -1  13  16 o 338.237 5.8385  62039.52   2138.90  58761.81   3023.93  65321.26   3025.79  328.933 8.4878  346.856 8.0541  -17.92267      11.70092  
1 1 1 -1  13  17 o 202.890 4.1562  22312.33   913.331  22836.08   1218.98  21641.97   1379.07  205.191 5.4849  199.700 6.3759  5.490509       8.410458  
1 1 1 -1  13  18 o 87.509  2.6456  4148.87    250.749  3561.35    379.281  4605.04    334.205  80.931  4.3428  92.182  3.3473  -11.25150      5.483063  
1 1 1 -1  13  19 o 143.108 3.3379  11099.90   517.375  11147.58   753.643  11057.40   711.531  143.350 4.8540  142.782 4.6010  0.5686493      6.688044  
1 1 1 -1  13  20 o 180.642 3.7649  17692.38   736.622  16985.20   990.084  18569.15   1102.43  176.903 5.1673  184.941 5.5036  -8.037292      7.549252  
1 1 1 -1  13  21 o 205.197 3.9524  22835.75   878.411  23222.38   1242.58  22449.52   1241.94  206.781 5.5481  203.301 5.6402  3.479782       7.911562  
1 1 1 -1  13  22 o 43.358  3.9627  1028.29    184.037  953.191    262.154  1101.27    258.422  41.445  6.0157  44.694  5.4513  -3.248699      8.118263  
1 1 1 -1  13  23 f 176.701 4.0055  16944.56   766.599  17668.55   1084.83  16222.43   1083.44  180.262 5.5563  172.697 5.7923  7.564575       8.026402  
1 1 1 -1  13  24 o 92.910  2.9828  4682.01    300.168  4702.65    425.903  4661.64    423.114  93.044  4.2262  92.638  4.2170  0.4059219      5.970252  
1 1 1 -1  13  25 o 182.148 3.6771  18026.55   725.437  17918.58   1026.14  18134.43   1025.70  181.299 5.2257  182.396 5.1920  -1.096405      7.366456  
1 1 1 -1  13  26 o 36.940  2.1134  742.558    84.205   736.476    89.224   792.098    254.654  36.776  2.2508  37.451  6.5145  -0.6745567     6.892418  
1 1 1 -1  13  27 o 65.777  3.3569  2361.86    238.363  2333.01    339.482  2389.91    334.760  65.093  4.8500  65.914  4.7203  -0.8211594     6.767799  
1 1 1 -1  13  28 o 45.913  2.5370  1149.52    125.675  1759.11    314.694  1033.85    137.081  56.302  5.2199  43.483  2.9277  12.81876       5.984886  
1 1 1 -1  13  29 o 84.241  3.2566  3874.73    297.140  3921.78    418.984  3827.12    421.465  84.288  4.6069  83.231  4.6944  1.056801       6.577310  
1 1 1 -1  13  30 o 4.5627  2.0239  -7.2052    19.920   -155.7776  30.211   107.064    26.495   ?       ?       13.924  1.7988  0.000000       1.798836  
1 1 1 -1  13  31 o 42.450  2.0292  980.741    93.298   957.966    97.705   1216.23    314.178  41.886  2.1610  45.848  6.5096  -3.962662      6.858899  
1 1 1 -1  13  32 o 59.304  2.5419  1922.70    163.274  1966.97    349.040  1910.30    184.731  58.725  5.5535  59.031  2.8893  -0.3065224     6.260155  
1 1 1 -1  13  33 o 35.252  6.2367  740.113    229.416  688.826    312.494  800.070    337.878  32.754  8.6721  35.222  8.8638  -2.468018      12.40044  
1 1 1 -1  13  34 f 11.148  5.5281  -520.9518  252.803  -514.1161  449.843  -524.1073  305.631  16.475  8.0022  12.775  6.2862  3.700245       10.17604  
1 1 1 -1  13  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  4  o 264.125 4.7285  37801.12   1352.70  38622.48   1913.03  36979.82   1912.98  266.907 6.6175  261.163 6.7628  5.743988       9.461840  
1 1 1 -1  14  5  o 262.550 5.3719  37364.69   1527.60  36675.99   1870.98  38741.82   2645.71  260.056 6.6425  267.113 9.1449  -7.056671      11.30272  
1 1 1 -1  14  6  o 245.994 5.1703  32802.23   1377.57  32247.00   2387.23  33079.43   1686.75  243.665 9.0455  246.974 6.3056  -3.309479      11.02640  
1 1 1 -1  14  7  o 351.964 6.0449  67164.52   2304.38  68078.82   3258.97  66250.31   3258.80  354.151 8.4962  349.351 8.6124  4.799377       12.09787  
1 1 1 -1  14  8  o 393.103 7.6879  83804.34   3273.31  0.0000     0.0000   83804.34   3273.31  ?       ?       393.103 7.6879  0.000000       7.687936  
1 1 1 -1  14  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  10 o 375.970 6.3854  76598.42   2600.22  74002.91   5199.26  77464.12   3002.71  369.182 13.003  378.051 7.3332  -8.869263      14.92795  
1 1 1 -1  14  11 o 326.362 7.0662  57727.94   2497.79  54666.05   5786.44  58429.13   2769.06  316.543 16.939  328.310 7.7872  -11.76669      18.64314  
1 1 1 -1  14  12 o 357.865 7.8863  69430.55   3056.79  70300.10   7155.98  69236.47   3380.75  358.759 18.479  357.321 8.7354  1.438232       20.43952  
1 1 1 -1  14  13 o 326.045 6.5864  57619.61   2325.92  56967.75   2847.77  58925.76   4031.11  324.124 8.1119  329.444 11.297  -5.320984      13.90795  
1 1 1 -1  14  14 o 334.573 8.2310  60720.98   2982.72  64817.30   4217.62  56622.40   4218.79  345.424 11.273  322.778 12.067  22.64655       16.51382  
1 1 1 -1  14  15 o 478.125 8.6654  124094.70  4487.45  127980.60  5872.47  118641.30  6956.88  485.172 11.175  466.659 13.764  18.51227       17.72942  
1 1 1 -1  14  16 o 196.623 3.8379  20949.35   817.336  19878.22   1154.40  22026.02   1157.39  191.468 5.5666  201.558 5.3016  -10.09033      7.687266  
1 1 1 -1  14  17 o 290.643 5.1499  45809.93   1621.16  44616.33   2291.82  47005.31   2293.52  286.624 7.3824  294.218 7.1972  -7.594177      10.31018  
1 1 1 -1  14  18 o 211.074 4.0122  24151.43   917.260  23889.45   1296.14  24414.28   1298.26  209.820 5.7034  212.116 5.6509  -2.296188      8.028818  
1 1 1 -1  14  19 o 248.161 4.8684  33408.75   1308.56  32727.84   1731.57  34315.37   1998.05  245.451 6.5134  251.229 7.3429  -5.777237      9.815405  
1 1 1 -1  14  20 o 299.338 5.2859  48637.98   1713.78  47422.49   2422.70  49855.36   2424.60  295.212 7.5770  302.724 7.3947  -7.512115      10.58737  
1 1 1 -1  14  21 o 197.358 4.0832  21126.63   872.824  21068.74   1166.91  21200.15   1315.04  196.965 5.4699  197.506 6.1474  -0.5404358     8.228600  
1 1 1 -1  14  22 o 172.292 3.7589  16100.82   701.450  15860.27   947.884  16392.01   1042.91  170.886 5.1213  173.684 5.5439  -2.797760      7.547377  
1 1 1 -1  14  23 o 165.620 3.4983  14878.84   627.532  14469.19   887.526  15288.38   887.403  163.183 5.0215  167.754 4.8840  -4.570908      7.004948  
1 1 1 -1  14  24 o 184.048 3.7230  18388.94   742.160  18231.56   1049.56  18546.32   1049.58  183.033 5.2943  184.614 5.2491  -1.580933      7.455365  
1 1 1 -1  14  25 o 82.907  2.9890  3730.69    268.403  3648.83    380.557  3811.71    378.609  81.783  4.3115  83.715  4.1756  -1.931870      6.002042  
1 1 1 -1  14  26 o 73.278  2.5924  2914.87    205.752  2652.94    257.009  3382.35    343.348  69.848  3.3972  78.699  4.0417  -8.851265      5.279812  
1 1 1 -1  14  27 o 87.822  3.0816  4196.21    293.126  4306.73    416.573  4087.82    412.543  88.771  4.3326  86.359  4.4254  2.412186       6.193169  
1 1 1 -1  14  28 o 61.767  2.5940  2074.65    173.536  1981.45    343.284  2106.64    201.128  59.736  5.3629  62.200  2.9855  -2.463829      6.137856  
1 1 1 -1  14  29 o 33.121  5.9415  627.435    205.311  710.630    286.396  539.477    294.479  34.777  7.7961  30.263  8.5864  4.513697       11.59765  
1 1 1 -1  14  30 o 96.601  2.9499  5096.39    308.651  5231.29    405.914  4911.48    475.232  97.588  3.8403  94.246  4.6556  3.341919       6.035100  
1 1 1 -1  14  31 o 49.609  1.5320  1336.59    82.318   1661.74    116.231  1009.37    116.600  55.267  1.9417  42.935  2.5184  12.33242       3.180020  
1 1 1 -1  14  32 o 20.134  7.2852  208.605    204.206  19.179     284.087  411.115    293.735  18.260  7.8795  26.318  8.7838  -8.057877      11.80010  
1 1 1 -1  14  33 o 37.840  5.8410  842.386    231.685  989.039    316.066  672.067    340.613  40.072  7.5595  32.039  9.2803  8.032814       11.96955  
1 1 1 -1  14  34 o 35.860  8.5499  871.069    327.393  841.169    503.721  892.938    430.793  32.483  11.477  34.386  10.555  -1.902958      15.59298  
1 1 1 -1  14  35 o 32.977  10.302  852.216    408.356  852.216    408.356  0.0000     0.0000   32.977  10.302  ?       ?       0.000000       10.30228  
1 1 1 -1  14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  15  2  o 323.563 5.6351  56734.15   1974.82  53515.52   2792.68  59953.41   2792.95  314.134 8.2080  332.518 7.7549  -18.38364      11.29203  
1 1 1 -1  15  3  o 268.816 4.6684  39153.58   1359.24  40028.38   1922.23  38278.75   1922.27  271.737 6.5311  265.726 6.6790  6.011139       9.341539  
1 1 1 -1  15  4  o 146.920 3.0798  11692.72   490.093  12101.32   693.054  11284.01   693.139  149.447 4.2816  144.309 4.4346  5.137604       6.164266  
1 1 1 -1  15  5  o 230.703 4.2368  28840.64   1058.68  28694.16   1497.16  28987.13   1497.24  230.047 6.0087  231.220 5.9786  -1.172775      8.476309  
1 1 1 -1  15  6  o 397.430 6.7454  85673.41   2903.61  87369.84   4106.45  83977.20   4106.20  401.040 9.4538  393.152 9.6429  7.887970       13.50413  
1 1 1 -1  15  7  o 517.112 8.4884  145125.20  4754.23  147416.20  6723.63  142834.41  6723.38  520.633 11.923  512.443 12.114  8.189575       16.99725  
1 1 1 -1  15  8  o 227.677 4.4383  28084.55   1094.48  27136.87   2052.17  28461.26   1293.85  223.674 8.4708  229.180 5.2124  -5.505737      9.946071  
1 1 1 -1  15  9  o 287.435 5.0821  44761.72   1582.16  44083.37   3163.58  44987.97   1827.06  285.061 10.246  288.140 5.8543  -3.079620      11.80094  
1 1 1 -1  15  10 o 191.681 3.6537  19901.49   758.538  17214.14   1514.04  20802.07   876.470  178.204 7.8442  195.964 4.1294  -17.75969      8.864745  
1 1 1 -1  15  11 o 448.705 8.0887  109149.50  3931.06  115270.70  7278.34  106628.40  4670.95  460.568 14.590  443.389 9.7264  17.17902       17.53520  
1 1 1 -1  15  12 o 963.661 32.030  512043.59  33431.30 0.0000     0.0000   512043.59  33431.30 ?       ?       963.661 32.030  0.000000       32.03016  
1 1 1 -1  15  13 o 458.332 8.8917  113945.10  4414.06  112480.30  7644.88  114677.60  5406.26  454.634 15.525  459.623 10.860  -4.989380      18.94654  
1 1 1 -1  15  14 f 495.710 11.705  133534.00  6284.71  127169.90  8886.61  139901.80  8889.23  482.835 16.993  506.595 16.201  -23.76007      23.47808  
1 1 1 -1  15  15 o 369.389 6.3282  73989.80   2531.81  72013.36   3579.80  75967.83   3581.25  364.172 9.0758  374.063 8.8393  -9.890900      12.66898  
1 1 1 -1  15  16 o 227.912 4.6268  28155.40   1142.14  28349.62   1735.20  28006.93   1517.14  228.564 7.0092  227.231 6.1644  1.332901       9.334276  
1 1 1 -1  15  17 o 50.129  1.7864  1361.12    96.996   1296.10    136.729  1426.99    137.620  48.844  2.5938  51.324  2.4757  -2.479996      3.585645  
1 1 1 -1  15  18 o 97.391  2.7687  5139.08    292.050  5247.26    396.157  5010.28    432.241  98.392  3.7174  96.134  4.1512  2.257706       5.572415  
1 1 1 -1  15  19 o 218.706 4.3610  25939.98   1033.04  24581.77   1563.48  26992.35   1376.24  212.691 6.7869  222.987 5.6983  -10.29628      8.861875  
1 1 1 -1  15  20 o 176.414 3.5982  16872.41   687.520  16522.05   970.470  17225.42   974.141  174.474 5.1355  178.156 5.0484  -3.681778      7.201324  
1 1 1 -1  15  21 o 341.425 6.3757  63371.82   2357.74  64839.06   3098.11  61352.61   3634.43  344.899 8.2934  335.002 10.017  9.896606       13.00432  
1 1 1 -1  15  22 o 47.565  1.6262  1225.59    83.779   1440.46    118.234  1008.90    118.730  51.561  2.1171  43.071  2.5566  8.490314       3.319397  
1 1 1 -1  15  23 o 48.403  3.7578  1278.81    195.458  1414.70    277.934  1145.84    274.928  50.765  5.1250  45.548  5.6976  5.216957       7.663421  
1 1 1 -1  15  24 o 39.889  1.6762  862.098    72.419   913.379    75.728   313.556    247.677  41.058  1.7029  24.469  8.0610  16.58846       8.238953  
1 1 1 -1  15  25 o 178.340 3.6504  17282.66   705.111  17375.62   997.344  17189.77   997.011  178.519 5.1581  177.555 5.1844  0.9634247      7.313264  
1 1 1 -1  15  26 o 9.5571  4.5824  -194.8288  136.375  -17.0692   194.779  -365.7657  191.004  15.140  6.5288  10.391  5.0835  4.748739       8.274446  
1 1 1 -1  15  27 o 117.602 3.0269  7523.80    385.559  7356.67    536.044  7702.94    554.974  116.031 4.2654  118.718 4.3161  -2.686676      6.068091  
1 1 1 -1  15  28 o 56.951  2.5159  1763.37    155.192  1772.79    331.025  1760.72    175.697  56.438  5.4845  56.804  2.8650  -0.3652763     6.187700  
1 1 1 -1  15  29 o 39.372  5.1168  870.125    213.044  713.414    297.997  1033.96    304.695  34.771  8.0685  42.437  6.8633  -7.666321      10.59274  
1 1 1 -1  15  30 f 43.942  1.9962  1049.77    95.008   1064.86    99.743   902.060    312.041  44.249  2.0812  39.128  7.6372  5.121471       7.915654  
1 1 1 -1  15  31 o 49.388  1.8454  1326.43    98.716   1387.86    139.263  1264.39    139.952  50.358  2.5617  48.031  2.7012  2.326942       3.722743  
1 1 1 -1  15  32 o 54.785  4.2567  1678.16    250.604  1947.57    341.875  1365.29    368.427  58.472  5.4614  47.924  7.3309  10.54791       9.141636  
1 1 1 -1  15  33 o 15.672  7.2468  -167.4199  289.638  -666.8282  455.040  172.718    375.534  16.198  7.9075  22.273  9.3102  -6.074881      12.21507  
1 1 1 -1  15  34 o 26.146  9.0643  466.237    313.294  567.462    485.434  393.974    410.149  27.999  10.981  25.035  10.005  2.964121       14.85567  
1 1 1 -1  15  35 o 13.854  2.7865  110.348    40.363   0.0000     0.0000   110.348    40.363   ?       ?       13.854  2.7865  0.000000       2.786504  
1 1 1 -1  15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  16  1  o 477.812 16.071  124317.00  8316.99  124317.00  8316.99  0.0000     0.0000   477.812 16.071  ?       ?       0.000000       16.07087  
1 1 1 -1  16  2  o 253.971 4.5736  34947.21   1258.09  34218.45   1779.14  35676.07   1779.26  251.247 6.5379  256.547 6.4033  -5.300476      9.151315  
1 1 1 -1  16  3  o 229.448 4.2143  28523.65   1047.31  28764.08   1481.15  28283.23   1481.11  230.362 5.9363  228.427 5.9865  1.935333       8.430742  
1 1 1 -1  16  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  16  5  o 392.194 7.6823  83468.63   3263.33  88014.20   5652.90  81196.60   3996.53  401.978 12.984  386.607 9.5443  15.37018       16.11429  
1 1 1 -1  16  6  o 500.778 11.871  136456.59  6438.61  139034.59  9105.52  133878.59  9105.62  504.326 16.670  494.796 16.991  9.529297       23.80251  
1 1 1 -1  16  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  16  8  o 256.219 4.5909  35567.16   1274.03  35087.34   2547.22  35727.23   1471.29  254.318 9.2474  256.777 5.2902  -2.458664      10.65366  
1 1 1 -1  16  9  o 573.735 10.978  178609.20  6822.04  172613.09  11815.18 181608.00  8355.60  562.871 19.380  578.265 13.341  -15.39362      23.52814  
1 1 1 -1  16  10 o 424.466 7.1444  97648.57   3284.59  99597.18   6568.71  96998.91   3792.80  428.192 14.164  422.996 8.2786  5.196198       16.40548  
1 1 1 -1  16  11 o 709.251 13.863  273276.41  10649.66 254149.41  27944.53 276526.41  11518.96 675.978 38.325  713.281 14.910  -37.30316      41.12343  
1 1 1 -1  16  12 o 343.327 6.8085  63887.73   2531.79  0.0000     0.0000   63887.73   2531.79  ?       ?       343.327 6.8085  0.000000       6.808489  
1 1 1 -1  16  13 o 411.044 8.0438  91621.55   3581.15  96149.63   6202.91  89357.72   4385.93  420.554 13.618  405.788 9.9791  14.76660       16.88265  
1 1 1 -1  16  14 o 180.845 5.1584  17723.69   1010.40  17929.23   1425.76  17516.31   1432.11  181.829 7.2396  179.719 7.3572  2.110031       10.32180  
1 1 1 -1  16  15 o 387.342 7.6298  81408.99   3200.95  87464.20   5544.22  78381.42   3920.33  400.788 12.772  379.865 9.5285  20.92355       15.93467  
1 1 1 -1  16  16 f 129.832 3.1082  9132.42    437.075  9364.94    605.064  8878.69    632.054  131.451 4.2498  127.985 4.5596  3.465591       6.232999  
1 1 1 -1  16  17 f 199.603 3.8768  21593.64   838.129  21714.71   1184.18  21472.12   1186.41  200.082 5.4644  198.958 5.5056  1.123184       7.756975  
1 1 1 -1  16  18 o 56.750  3.1664  1750.64    193.848  1721.71    269.586  1781.61    278.937  56.172  4.4680  57.140  4.5447  -0.9675102     6.373138  
1 1 1 -1  16  19 o 228.895 4.2561  28411.63   1055.16  27931.83   1490.98  28893.03   1493.46  226.796 6.0697  230.674 5.9776  -3.878769      8.518935  
1 1 1 -1  16  20 o 223.270 4.2044  27036.35   1016.72  26807.15   1436.45  27266.45   1439.27  222.153 5.9699  224.052 5.9309  -1.899414      8.415189  
1 1 1 -1  16  21 o 153.389 3.2832  12754.79   545.464  11013.01   794.396  14308.56   750.298  142.425 5.1497  162.406 4.2654  -19.98125      6.686781  
1 1 1 -1  16  22 o 55.805  3.4800  1695.39    209.292  1955.90    289.957  1412.04    302.403  59.860  4.5053  50.666  5.6045  9.193626       7.190837  
1 1 1 -1  16  23 o 100.085 3.0024  5431.45    325.468  5214.37    460.472  5648.18    460.090  97.998  4.3383  102.003 4.1645  -4.005455      6.013615  
1 1 1 -1  16  24 o 48.027  3.7467  1259.89    193.352  1341.60    275.111  1180.13    271.802  49.378  5.2234  46.227  5.5388  3.150723       7.613295  
1 1 1 -1  16  25 o 29.638  1.2620  475.906    40.510   154.379    225.718  486.607    41.179   19.913  7.5716  29.969  1.2686  -10.05626      7.677093  
1 1 1 -1  16  26 o 53.883  3.4293  1585.53    199.094  1688.37    291.359  1495.44    272.692  55.376  4.9086  52.094  4.8902  3.281998       6.928826  
1 1 1 -1  16  27 o 20.052  1.4067  219.040    30.359   219.034    30.627   219.388    230.158  20.051  1.4194  21.474  7.7398  -1.423361      7.868879  
1 1 1 -1  16  28 o 37.443  2.1421  763.932    86.514   907.411    293.474  750.276    90.537   39.769  7.0725  37.093  2.2644  2.675892       7.426172  
1 1 1 -1  16  29 o 75.922  3.3353  3149.06    274.263  3033.95    385.958  3266.47    389.802  74.015  4.8412  76.856  4.7053  -2.840881      6.751075  
1 1 1 -1  16  30 o 79.638  2.8276  3461.97    243.903  3481.08    302.684  3426.57    411.868  79.689  3.5069  78.485  4.8691  1.204445       6.000550  
1 1 1 -1  16  31 o 54.476  2.2643  1617.33    133.599  1730.09    145.772  1025.50    333.956  56.323  2.3896  41.476  7.7181  14.84709       8.079499  
1 1 1 -1  16  32 o 10.556  3.0987  62.275     37.750   13.154     280.217  63.183     38.097   18.048  7.8066  10.628  3.1110  7.419392       8.403679  
1 1 1 -1  16  33 o 30.847  8.9283  619.242    315.367  873.759    484.813  432.547    415.223  35.162  11.256  26.962  10.265  8.200336       15.23366  
1 1 1 -1  16  34 o 39.316  8.4874  1040.66    350.833  0.0000     0.0000   1040.66    350.833  ?       ?       39.316  8.4874  0.000000       8.487389  
1 1 1 -1  16  35 o 25.959  11.173  473.416    568.203  0.0000     0.0000   473.416    568.203  ?       ?       25.959  11.173  0.000000       11.17278  
1 1 1 -1  16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  17  1  o 381.353 7.5371  78862.02   3113.17  79108.19   5392.80  78738.98   3812.62  381.445 13.053  380.929 9.2408  0.5160217      15.99296  
1 1 1 -1  17  2  o 152.493 3.1803  12596.48   525.271  13162.08   743.100  12031.66   742.590  155.861 4.4019  149.014 4.6010  6.846558       6.367554  
1 1 1 -1  17  3  o 140.022 3.0367  10620.57   460.537  10880.22   651.401  10361.09   651.194  141.706 4.2441  138.283 4.3478  3.423630       6.075879  
1 1 1 -1  17  4  o 310.890 5.4252  52392.94   1826.82  53966.38   2583.49  50819.42   2583.55  315.381 7.5631  306.030 7.7944  9.351318       10.86065  
1 1 1 -1  17  5  f 363.733 7.1546  71776.91   2818.61  69879.53   3451.96  75572.52   4882.34  358.719 8.8846  372.607 12.098  -13.88727      15.00982  
1 1 1 -1  17  6  o 120.574 2.8933  7875.29    377.854  7884.44    523.415  7865.34    546.034  120.630 4.0061  120.480 4.1844  0.1489716      5.792934  
1 1 1 -1  17  7  o 602.315 11.482  197119.50  7490.81  187732.30  12973.95 201813.59  9174.51  585.693 20.452  608.973 13.910  -23.27966      24.73366  
1 1 1 -1  17  8  o 134.322 3.0098  9772.62    437.876  9776.58    618.923  9768.64    619.578  134.338 4.2537  134.284 4.2599  0.5462646E-01  6.020046  
1 1 1 -1  17  9  o 328.854 7.1917  58613.32   2561.55  0.0000     0.0000   58613.32   2561.55  ?       ?       328.854 7.1917  0.000000       7.191670  
1 1 1 -1  17  10 o 601.479 9.9161  196217.50  6460.00  197856.70  12919.57 195671.09  7459.45  602.630 19.794  600.488 11.469  2.142273       22.87646  
1 1 1 -1  17  11 f 527.124 9.1629  150684.70  5231.39  136458.20  9673.61  156565.00  6219.28  500.656 17.839  537.177 10.689  -36.52081      20.79677  
1 1 1 -1  17  12 f 319.377 6.4382  55281.20   2227.09  0.0000     0.0000   55281.20   2227.09  ?       ?       319.377 6.4382  0.000000       6.438192  
1 1 1 -1  17  13 o 412.651 8.0745  92343.35   3608.85  87916.77   6250.12  94557.26   4420.12  402.039 14.353  417.434 9.7763  -15.39413      17.36641  
1 1 1 -1  17  14 o 476.164 11.306  123211.20  5831.15  121185.20  8245.40  125238.30  8247.59  471.390 16.150  479.262 15.889  -7.871857      22.65513  
1 1 1 -1  17  15 o 443.379 8.1117  106701.80  3895.47  108854.50  11005.84 106393.50  4165.09  443.764 22.977  442.665 8.6872  1.099243       24.56432  
1 1 1 -1  17  16 o 146.658 3.7490  11655.18   595.505  12420.32   1029.97  11270.96   729.865  151.310 6.2847  144.195 4.6733  7.114822       7.831806  
1 1 1 -1  17  17 o 123.353 3.5071  8245.85    468.563  7702.99    809.001  8519.88    574.786  118.968 6.3008  125.367 4.2331  -6.398407      7.590727  
1 1 1 -1  17  18 o 362.981 6.2249  71530.51   2447.31  73898.49   3460.70  69161.66   3461.34  368.508 8.6706  356.442 8.9657  12.06570       12.47246  
1 1 1 -1  17  19 o 178.954 3.6211  17360.19   701.869  17585.87   991.250  17133.28   993.941  180.028 5.0836  177.690 5.1645  2.337250       7.246730  
1 1 1 -1  17  20 o 264.185 4.7600  37869.92   1362.01  36104.70   1924.65  39640.75   1927.70  257.681 6.8960  270.052 6.5906  -12.37106      9.538898  
1 1 1 -1  17  21 o 141.205 3.3457  10809.59   511.692  10534.39   705.201  11115.58   743.607  139.325 4.6732  143.108 4.7974  -3.783585      6.697328  
1 1 1 -1  17  22 o 61.039  3.3321  2026.31    219.460  1834.33    303.818  2235.77    317.350  57.915  4.8891  64.010  4.6083  -6.094978      6.718625  
1 1 1 -1  17  23 o 297.867 6.0848  48300.78   1963.08  47925.69   2774.62  48676.73   2777.80  295.920 8.6568  298.250 8.5990  -2.330475      12.20182  
1 1 1 -1  17  24 f 213.206 4.0912  24694.31   944.754  25036.65   1336.06  24351.93   1336.11  214.352 5.7548  211.382 5.8359  2.969910       8.196022  
1 1 1 -1  17  25 o 85.900  2.4903  4002.65    231.697  4076.32    328.262  3929.50    327.081  86.617  3.4990  85.039  3.5511  1.578438       4.985359  
1 1 1 -1  17  26 o 55.994  3.4104  1711.71    205.847  2015.77    307.811  1465.72    276.866  60.573  4.7293  51.540  5.0236  9.033379       6.899444  
1 1 1 -1  17  27 o 85.748  2.6125  3995.75    242.631  4387.84    312.850  3403.96    384.345  89.776  3.2174  78.744  4.5254  11.03150       5.552603  
1 1 1 -1  17  28 f 57.924  3.8007  1841.47    237.124  1832.38    332.457  1850.89    338.308  57.393  5.4121  57.664  5.4827  -0.2714500     7.703928  
1 1 1 -1  17  29 o 42.852  4.7337  1023.86    216.041  1176.53    302.129  864.127    309.044  45.505  6.2989  38.440  7.6914  7.065769       9.941509  
1 1 1 -1  17  30 o 96.540  2.9547  5091.59    308.953  5427.86    405.595  4626.79    476.854  99.407  3.7671  91.242  4.8426  8.164963       6.135292  
1 1 1 -1  17  31 o 40.423  2.4059  894.401    104.860  1270.20    313.999  847.230    111.247  46.903  6.3437  39.298  2.6288  7.605789       6.866837  
1 1 1 -1  17  32 o 71.731  5.1323  2909.77    396.104  3510.97    590.908  2419.19    533.788  77.357  7.1329  63.550  7.9274  13.80702       10.66408  
1 1 1 -1  17  33 o 21.110  8.5339  187.132    302.140  292.317    465.093  110.328    397.423  25.206  10.434  21.697  9.3412  3.509369       14.00432  
1 1 1 -1  17  34 o 33.980  8.3926  782.511    307.058  0.0000     0.0000   782.511    307.058  ?       ?       33.980  8.3926  0.000000       8.392612  
1 1 1 -1  17  35 o 28.157  10.651  632.062    445.212  0.0000     0.0000   632.062    445.212  ?       ?       28.157  10.651  0.000000       10.65104  
1 1 1 -1  17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  18  1  o 327.565 5.6688  58156.11   2011.23  57707.21   2844.33  58605.00   2844.29  326.161 8.0515  328.693 7.9894  -2.531555      11.34272  
1 1 1 -1  18  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  18  3  o 303.559 5.2612  49946.64   1729.80  47083.46   2446.19  52810.32   2446.41  294.585 7.6667  312.018 7.2390  -17.43289      10.54428  
1 1 1 -1  18  4  o 223.661 4.1505  27106.65   1005.46  26436.38   1421.75  27777.28   1422.13  220.811 5.9447  226.348 5.8009  -5.537201      8.306006  
1 1 1 -1  18  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  18  6  o 580.774 13.659  183678.30  8591.82  186105.70  12151.11 181251.09  12150.24 583.018 19.243  575.279 19.500  7.738647       27.39580  
1 1 1 -1  18  7  o 439.701 7.3610  104832.40  3505.61  109465.50  4958.04  100200.60  4957.32  449.056 10.194  429.586 10.654  19.47073       14.74552  
1 1 1 -1  18  8  o 605.244 12.668  198939.70  8304.32  201448.09  10850.52 195392.91  12902.36 608.459 16.465  598.593 19.901  9.866760       25.82861  
1 1 1 -1  18  9  o 683.414 12.983  253581.80  9609.90  240175.00  16644.19 260286.00  11769.91 663.254 23.169  691.979 15.704  -28.72528      27.98983  
1 1 1 -1  18  10 o 351.874 6.4520  67095.75   2458.94  66651.37   6820.00  67162.15   2636.26  349.475 18.080  352.031 6.9141  -2.556549      19.35652  
1 1 1 -1  18  11 o 866.563 28.737  412296.69  26971.61 0.0000     0.0000   412296.69  26971.61 ?       ?       866.563 28.737  0.000000       28.73666  
1 1 1 -1  18  12 o 829.291 15.723  374156.00  14122.60 0.0000     0.0000   374156.00  14122.60 ?       ?       829.291 15.723  0.000000       15.72309  
1 1 1 -1  18  13 o 566.637 10.879  174330.09  6676.56  172426.20  11563.24 175282.30  8177.39  562.052 18.995  567.821 13.296  -5.769531      23.18605  
1 1 1 -1  18  14 f 459.646 10.953  114801.20  5452.75  114212.60  7711.85  115389.70  7710.87  457.686 15.557  460.055 15.475  -2.368805      21.94271  
1 1 1 -1  18  15 o 402.135 7.3939  87745.32   3220.45  87688.12   9031.68  87753.65   3447.02  398.766 20.985  402.097 7.9149  -3.330994      22.42809  
1 1 1 -1  18  16 o 405.227 6.9146  89120.98   3034.85  92834.84   6066.92  87881.51   3504.88  412.306 13.586  402.245 8.0447  10.06174       15.78877  
1 1 1 -1  18  17 o 451.120 8.2811  110633.60  4046.25  115915.90  11446.42 109879.30  4325.52  455.251 23.292  449.449 8.8856  5.801056       24.92928  
1 1 1 -1  18  18 o 119.543 3.4789  7745.23    450.440  7804.74    775.705  7714.96    553.279  119.908 5.9728  119.285 4.2824  0.6237488      7.349373  
1 1 1 -1  18  19 o 316.339 6.4085  54363.70   2195.75  55972.54   3802.78  53559.05   2689.37  320.020 10.971  313.732 7.9145  6.288269       13.52796  
1 1 1 -1  18  20 o 210.696 4.6636  24086.04   1064.27  22906.80   1841.47  24677.48   1304.13  205.059 8.2912  213.174 5.6483  -8.114563      10.03228  
1 1 1 -1  18  21 o 49.919  3.4095  1357.31    183.239  1132.02    241.846  1660.95    280.765  45.391  5.0023  55.117  4.7495  -9.725605      6.897871  
1 1 1 -1  18  22 f 105.971 2.9411  6087.74    337.575  6288.30    461.823  5857.63    494.674  107.658 3.9606  103.884 4.3964  3.774216       5.917328  
1 1 1 -1  18  23 o 55.109  3.5917  1654.73    213.215  1407.40    294.545  1927.00    309.039  50.579  5.4635  59.355  4.8495  -8.775902      7.305285  
1 1 1 -1  18  24 o 168.532 3.5258  15418.54   643.601  15736.57   910.366  15100.76   910.012  170.066 4.9423  166.579 5.0438  3.487152       7.061598  
1 1 1 -1  18  25 o 94.755  2.7805  4872.69    285.358  4752.36    427.439  4969.44    383.277  93.449  4.2231  95.613  3.7011  -2.164589      5.615362  
1 1 1 -1  18  26 o 83.233  2.9847  3764.76    269.074  3988.37    394.439  3570.14    367.992  85.517  4.2585  80.806  4.2192  4.710327       5.994734  
1 1 1 -1  18  27 o 91.303  2.9991  4535.65    296.583  5149.39    426.720  3962.13    412.505  97.097  4.0576  84.974  4.4980  12.12333       6.057717  
1 1 1 -1  18  28 o 33.615  5.7854  641.742    203.040  800.320    281.529  469.855    293.105  37.230  7.2424  28.597  8.6927  8.632803       11.31437  
1 1 1 -1  18  29 o 32.754  7.1645  626.639    247.098  1252.07    457.037  368.312    293.729  45.708  9.5402  25.927  8.7831  19.78112       12.96756  
1 1 1 -1  18  30 o ?       ?       -336.5670  45.432   -335.8816  45.987   -364.4530  293.334  ?       ?       14.200  6.7849  0.000000       6.784873  
1 1 1 -1  18  31 o 58.244  4.8795  1904.72    304.983  2180.06    529.544  1768.06    373.071  60.437  8.3094  55.442  6.3260  4.995487       10.44340  
1 1 1 -1  18  32 o 41.122  7.6079  1020.16    326.371  971.310    496.121  1057.43    433.340  38.119  11.246  40.530  9.9458  -2.411316      15.01312  
1 1 1 -1  18  33 o 55.162  4.7420  1738.30    280.558  1914.03    536.109  1672.03    329.241  54.037  9.5071  53.432  5.7813  0.6053505      11.12691  
1 1 1 -1  18  34 o 32.020  1.7427  562.015    60.212   0.0000     0.0000   562.015    60.212   ?       ?       32.020  1.7427  0.000000       1.742748  
1 1 1 -1  18  35 o 23.527  9.9252  331.849    433.008  0.0000     0.0000   331.849    433.008  ?       ?       23.527  9.9252  0.000000       9.925242  
1 1 1 -1  18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  19  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  19  2  f 128.406 2.9090  8931.52    404.569  8475.57    572.120  9387.55    572.173  125.067 4.2235  131.628 4.0134  -6.560394      5.826259  
1 1 1 -1  19  3  o 370.408 8.9952  74501.23   3608.79  73073.02   5104.28  75928.67   5102.93  366.328 12.865  373.457 12.616  -7.128387      18.01806  
1 1 1 -1  19  4  o 409.446 7.8590  90983.70   3485.23  83471.85   4268.05  106017.40  6037.94  391.912 10.055  441.233 12.634  -49.32080      16.14690  
1 1 1 -1  19  5  o 247.822 5.1951  33289.17   1394.45  33166.62   1707.78  33534.32   2415.42  247.310 6.3756  248.514 8.9737  -1.204803      11.00796  
1 1 1 -1  19  6  o 419.483 8.1841  95468.60   3718.39  97054.60   4554.16  92296.96   6440.19  422.769 9.9457  411.664 14.444  11.10547       17.53694  
1 1 1 -1  19  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  19  8  o 622.047 14.550  210275.91  9803.22  214005.59  13864.55 206547.00  13863.13 626.489 20.433  615.400 20.799  11.08966       29.15595  
1 1 1 -1  19  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  19  10 o 444.370 7.4577  107030.90  3589.37  100418.80  7177.66  109235.80  4144.86  429.812 15.418  448.864 8.5256  -19.05188      17.61836  
1 1 1 -1  19  11 o 539.194 9.9358  157709.59  5802.56  188260.70  16593.53 153453.30  6193.58  586.213 26.134  531.792 10.753  54.42029       28.26016  
1 1 1 -1  19  12 o 994.011 33.110  546262.62  35647.09 0.0000     0.0000   546262.62  35647.09 ?       ?       994.011 33.110  0.000000       33.11028  
1 1 1 -1  19  13 o 891.339 14.637  432343.09  14131.11 431294.31  28261.52 432692.69  16317.33 883.731 29.526  890.980 16.909  -7.248535      34.02488  
1 1 1 -1  19  14 o 254.731 5.3557  35169.39   1477.64  34599.34   2558.14  35454.82   1810.16  252.442 9.3560  255.710 6.5358  -3.267883      11.41278  
1 1 1 -1  19  15 o 308.486 5.4039  51591.23   1805.57  52338.71   3606.76  51341.25   2085.74  310.225 10.734  307.682 6.2588  2.543182       12.42560  
1 1 1 -1  19  16 o 431.754 7.6893  101231.20  3595.79  90089.45   10127.83 102838.20  3846.38  402.133 23.353  435.091 8.1621  -32.95844      24.73870  
1 1 1 -1  19  17 o 359.197 6.1819  70024.34   2405.06  71330.48   4806.48  69588.08   2777.83  361.380 12.280  357.943 7.1651  3.436157       14.21735  
1 1 1 -1  19  18 o 122.766 3.0483  8167.08    405.330  8395.72    801.806  8088.59    469.777  124.364 5.9526  122.161 3.5505  2.202515       6.931046  
1 1 1 -1  19  19 o 128.091 3.2156  8892.53    446.123  6741.44    860.325  9683.69    521.753  111.121 7.1867  133.654 3.6042  -22.53334      8.039858  
1 1 1 -1  19  20 o 158.533 3.3920  13624.39   582.427  12291.84   1155.79  14077.95   674.301  150.327 7.0986  161.127 3.8638  -10.79948      8.082005  
1 1 1 -1  19  21 o 153.480 3.8702  12775.77   643.370  10642.38   1110.82  13852.68   789.220  139.617 7.3719  159.772 4.5607  -20.15457      8.668563  
1 1 1 -1  19  22 o 142.776 3.7824  11058.22   584.919  11344.24   1010.96  10914.30   717.141  144.376 6.4650  141.781 4.6700  2.595047       7.975278  
1 1 1 -1  19  23 o 118.497 3.5923  7618.70    461.050  8086.94    795.868  7382.19    565.628  121.874 6.0292  116.582 4.4795  5.292259       7.511126  
1 1 1 -1  19  24 o 82.267  2.6883  3670.35    239.540  3770.24    376.232  3602.25    310.637  83.190  4.1890  81.458  3.5208  1.731277       5.472122  
1 1 1 -1  19  25 o 66.538  2.6118  2402.21    188.224  2061.67    447.394  2475.45    207.480  60.918  6.9025  67.533  2.8366  -6.614758      7.462644  
1 1 1 -1  19  26 o 142.874 3.7175  11115.74   575.268  13695.69   1032.92  9955.66    692.631  157.882 6.0403  134.983 4.7375  22.89928       7.676591  
1 1 1 -1  19  27 o 54.579  4.2488  1638.12    249.186  2325.66    504.297  1416.02    286.622  64.229  7.3834  50.491  5.3212  13.73759       9.101101  
1 1 1 -1  19  28 o 43.829  2.0114  1043.09    95.486   1065.17    100.521  839.028    305.536  44.285  2.0957  38.004  7.6868  6.281532       7.967359  
1 1 1 -1  19  29 o 51.378  2.4193  1436.39    134.628  1433.40    494.294  1436.63    139.918  48.904  9.6745  51.372  2.5146  -2.468369      9.996010  
1 1 1 -1  19  30 o 36.015  2.2261  708.687    86.411   684.663    90.512   955.961    290.384  35.375  2.3761  40.566  6.8532  -5.190800      7.253435  
1 1 1 -1  19  31 o 85.440  4.8062  4082.66    442.961  3921.34    649.801  4222.71    605.433  81.988  7.3971  85.740  6.5695  -3.751938      9.893190  
1 1 1 -1  19  32 o 71.871  5.1425  2924.93    397.668  3142.54    590.263  2744.07    538.120  72.692  7.6098  68.036  7.4229  4.656036       10.63055  
1 1 1 -1  19  33 o 36.862  6.7055  826.806    257.855  318.393    492.036  1019.30    302.759  25.702  10.693  40.751  7.1186  -15.04884      12.84568  
1 1 1 -1  19  34 o 20.122  8.2740  184.063    289.889  0.0000     0.0000   184.063    289.889  ?       ?       20.122  8.2740  0.000000       8.273994  
1 1 1 -1  19  35 o 4.5064  2.2482  -115.0353  44.459   0.0000     0.0000   -115.0353  44.459   ?       ?       4.5064  2.2482  0.000000       2.248152  
1 1 1 -1  19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  19  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  20  1  o 544.843 18.285  162489.91  10790.58 162489.91  10790.58 0.0000     0.0000   544.843 18.285  ?       ?       0.000000       18.28536  
1 1 1 -1  20  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  20  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  20  4  o 595.926 19.969  194894.50  12889.26 0.0000     0.0000   194894.50  12889.26 ?       ?       595.926 19.969  0.000000       19.96940  
1 1 1 -1  20  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  20  6  o 146.036 3.1105  11552.20   491.992  11508.55   695.841  11595.84   695.721  145.743 4.4081  146.295 4.3907  -0.5519257     6.221726  
1 1 1 -1  20  7  o 554.855 9.1593  166988.00  5504.45  172969.00  7784.69  161007.80  7784.23  564.288 12.737  544.366 13.202  19.92218       18.34498  
1 1 1 -1  20  8  o 255.545 4.5250  35376.51   1252.44  35151.72   1771.47  35601.17   1770.97  254.691 6.4217  256.315 6.3792  -1.624130      9.051686  
1 1 1 -1  20  9  o 272.960 4.8819  40363.78   1443.32  40563.68   2041.42  40163.99   2040.89  273.586 6.8892  272.234 6.9216  1.352112       9.765747  
1 1 1 -1  20  10 o 252.477 4.5219  34532.33   1236.56  36784.82   2472.26  33780.80   1428.03  260.465 8.7634  249.700 5.2802  10.76483       10.23123  
1 1 1 -1  20  11 o 549.265 9.1193  163616.59  5425.17  156358.41  10850.89 166035.80  6264.34  535.713 18.701  553.186 10.455  -17.47241      21.42513  
1 1 1 -1  20  12 o 663.150 15.395  239258.00  11057.88 0.0000     0.0000   239258.00  11057.88 ?       ?       663.150 15.395  0.000000       15.39535  
1 1 1 -1  20  13 o 401.904 7.7494  87598.80   3373.33  82063.20   5839.32  90371.53   4132.70  388.392 13.881  408.083 9.3501  -19.69135      16.73639  
1 1 1 -1  20  14 o 209.922 4.6094  23879.90   1048.02  22090.93   1814.46  24775.53   1283.83  201.761 8.3031  213.792 5.5443  -12.03076      9.984015  
1 1 1 -1  20  15 o 609.011 10.084  201635.30  6651.77  199045.30  13302.10 202498.91  7681.08  601.508 20.418  609.927 11.627  -8.418945      23.49629  
1 1 1 -1  20  16 o 441.633 8.1219  105961.10  3884.99  109486.10  10974.97 105456.20  4153.96  443.482 22.927  440.474 8.7071  3.007019       24.52457  
1 1 1 -1  20  17 f 216.544 4.4217  25422.89   1037.07  25543.31   1944.24  25375.00   1226.06  216.750 8.2817  216.291 5.2336  0.4583435      9.796845  
1 1 1 -1  20  18 o 181.833 3.9440  17924.59   776.748  19448.82   1890.62  17615.07   851.972  188.956 9.2379  180.235 4.3643  8.721039       10.21694  
1 1 1 -1  20  19 o 147.023 3.2767  11715.84   521.790  11171.12   1035.48  11901.23   604.094  143.376 6.6680  148.161 3.7644  -4.786011      7.657239  
1 1 1 -1  20  20 o 112.203 2.9947  6823.29    363.943  6463.19    717.157  6948.19    422.372  108.897 6.1049  113.211 3.4446  -4.313667      7.009648  
1 1 1 -1  20  21 o 40.655  4.1271  905.824    179.211  599.805    363.565  1004.04    205.973  32.838  9.6099  42.778  4.5136  -9.939934      10.61708  
1 1 1 -1  20  22 o 108.023 3.1733  6326.97    371.276  6477.40    715.374  6271.51    434.355  108.956 6.0863  107.524 3.7297  1.432304       7.138145  
1 1 1 -1  20  23 o 215.370 4.4550  25194.34   1039.20  26714.90   2632.39  24913.61   1131.07  219.816 11.092  214.103 4.8775  5.713058       12.11737  
1 1 1 -1  20  24 o 55.232  2.3225  1653.83    138.937  1391.33    413.222  1687.29    147.526  49.777  7.9306  55.784  2.4417  -6.007286      8.298001  
1 1 1 -1  20  25 o 44.251  2.0515  1061.74    98.326   1099.14    369.721  1058.89    101.999  43.984  8.0578  44.190  2.1311  -0.2054710     8.334819  
1 1 1 -1  20  26 o 107.710 2.9364  6305.08    342.560  8350.90    635.302  5466.43    406.758  123.608 4.7453  100.180 3.7487  23.42776       6.047395  
1 1 1 -1  20  27 o 118.051 3.1520  7587.37    403.015  8165.74    832.834  7410.52    460.526  121.327 6.3598  116.562 3.6478  4.765068       7.331674  
1 1 1 -1  20  28 o 117.514 3.2197  7530.64    409.808  6936.04    765.080  7769.88    485.297  111.498 6.3617  119.216 3.7584  -7.718094      7.388958  
1 1 1 -1  20  29 o 38.633  2.2119  814.198    92.170   416.727    469.186  830.153    94.001   29.108  10.951  39.008  2.2342  -9.900335      11.17692  
1 1 1 -1  20  30 o 33.853  8.3895  690.614    306.052  696.546    461.875  685.970    408.642  33.766  11.002  33.464  10.282  0.3021584      15.05877  
1 1 1 -1  20  31 o 33.878  8.4849  704.222    310.664  540.768    472.904  828.313    412.046  30.438  11.075  36.122  10.125  -5.683859      15.00580  
1 1 1 -1  20  32 o 30.223  1.7836  498.848    58.127   -71.1528   473.777  507.559    58.570   21.623  9.7117  30.487  1.7815  -8.863503      9.873794  
1 1 1 -1  20  33 o 17.952  7.4661  95.370     239.767  -124.7846  459.937  177.525    280.965  20.139  9.2470  20.413  8.2374  -0.2736130     12.38393  
1 1 1 -1  20  34 o 19.138  8.7699  -58.4030   410.840  0.0000     0.0000   -58.4030   410.840  ?       ?       19.138  8.7699  0.000000       8.769905  
1 1 1 -1  20  35 o 17.799  8.4705  -245.1829  447.684  0.0000     0.0000   -245.1829  447.684  ?       ?       17.799  8.4705  0.000000       8.470480  
1 1 1 -1  20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  21  1  o 309.625 5.3711  51967.48   1801.24  53151.60   2547.47  50783.60   2547.21  312.987 7.5147  305.922 7.6875  7.064972       10.75027  
1 1 1 -1  21  2  o 459.541 10.982  114840.70  5465.83  126747.20  7729.69  102933.30  7730.02  481.958 14.808  433.947 16.447  48.01111       22.13033  
1 1 1 -1  21  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  21  4  o 406.636 6.8909  89682.66   3034.95  90391.70   4292.14  88973.67   4292.00  407.937 9.7143  404.715 9.7913  3.222076       13.79264  
1 1 1 -1  21  5  o 441.833 7.4211  105880.10  3551.37  107025.80  5022.33  104734.30  5022.46  443.888 10.446  439.096 10.561  4.792175       14.85431  
1 1 1 -1  21  6  f 189.401 3.6470  19432.60   748.155  19575.85   1058.10  19289.38   1058.01  190.071 5.1397  188.674 5.1773  1.396652       7.295302  
1 1 1 -1  21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  21  8  o 427.675 7.1962  99130.17   3333.42  101436.80  4714.56  96824.36   4713.77  432.461 10.065  422.500 10.301  9.961761       14.40193  
1 1 1 -1  21  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  21  10 o 630.552 10.391  215694.41  7096.86  211781.20  14193.17 216998.91  8194.86  623.130 21.030  632.277 11.966  -9.146912      24.19584  
1 1 1 -1  21  11 o 195.969 3.7615  20802.83   798.388  22111.34   1604.22  20372.02   920.479  201.967 7.3335  193.920 4.3825  8.047119       8.543215  
1 1 1 -1  21  12 f 549.821 10.568  164078.80  6293.68  161097.09  10901.36 165569.50  7708.02  543.548 18.517  552.012 12.892  -8.463745      22.56299  
1 1 1 -1  21  13 o 539.536 12.964  158297.50  7575.57  158492.50  15861.24 158239.91  8622.63  535.377 27.445  539.107 14.767  -3.730286      31.16598  
1 1 1 -1  21  14 o 394.712 7.7513  84530.69   3313.79  86656.24   5740.12  83468.17   4058.38  398.921 13.285  392.032 9.5579  6.888275       16.36602  
1 1 1 -1  21  15 o 204.419 3.9258  22643.60   869.192  25611.89   1739.37  21655.65   1003.47  217.236 7.3925  199.885 4.6350  17.35086       8.725350  
1 1 1 -1  21  16 o 207.956 4.3137  23441.42   971.618  22559.22   1829.32  23788.09   1146.74  203.751 8.2893  209.451 5.0549  -5.700470      9.709023  
1 1 1 -1  21  17 o 247.247 4.9053  33152.58   1313.62  34724.23   3451.65  32886.39   1420.51  251.712 12.702  246.221 5.3266  5.491196       13.77323  
1 1 1 -1  21  18 o 252.965 4.6104  34705.78   1263.18  33853.87   2522.44  34990.93   1459.35  249.270 9.3429  253.941 5.3059  -4.671295      10.74438  
1 1 1 -1  21  19 o 96.410  2.9680  5037.18    309.928  5207.49    608.674  4977.57    360.107  97.762  5.7740  95.826  3.4696  1.936676       6.736225  
1 1 1 -1  21  20 o 46.388  2.3094  1165.88    116.030  1065.51    132.717  1491.44    239.016  44.254  2.7830  52.264  4.2594  -8.009674      5.088026  
1 1 1 -1  21  21 o 164.645 3.9644  14703.99   706.966  13776.15   1482.95  14976.89   804.239  158.656 8.6625  166.130 4.4696  -7.474014      9.747637  
1 1 1 -1  21  22 o 269.162 5.4050  39373.44   1575.72  32665.53   3858.34  40716.17   1726.24  241.995 14.792  273.636 5.8245  -31.64105      15.89706  
1 1 1 -1  21  23 o 54.020  2.3974  1581.74    140.270  1323.96    423.429  1613.52    148.665  48.517  8.3595  54.558  2.5158  -6.040325      8.729860  
1 1 1 -1  21  24 o 107.457 3.0318  6265.37    352.858  4725.39    697.873  6794.29    408.989  92.679  7.0039  111.875 3.3753  -19.19566      7.774788  
1 1 1 -1  21  25 o 78.943  2.6759  3382.15    228.795  2799.49    506.724  3531.35    256.421  71.132  6.6545  80.648  2.9356  -9.516159      7.273205  
1 1 1 -1  21  26 o 59.382  3.6422  1927.46    233.125  2603.54    507.272  1746.44    262.486  68.310  6.9531  56.403  4.3297  11.90766       8.191017  
1 1 1 -1  21  27 o 120.699 3.1543  7932.23    412.356  9753.72    842.354  7358.17    472.892  132.970 5.8488  116.118 3.7600  16.85265       6.953193  
1 1 1 -1  21  28 o 98.459  3.0547  5283.50    325.763  4931.37    538.808  5486.38    408.977  94.383  5.2920  100.165 3.7697  -5.781860      6.497433  
1 1 1 -1  21  29 o 99.819  3.0922  5439.43    334.314  7234.85    715.066  4937.20    378.193  113.833 5.8192  94.942  3.6778  18.89093       6.883982  
1 1 1 -1  21  30 o 51.650  6.1729  1521.87    338.487  939.053    507.442  1989.08    454.334  38.471  11.380  58.578  7.3208  -20.10727      13.53171  
1 1 1 -1  21  31 o 81.981  4.8336  3764.04    427.294  4235.60    629.862  3362.00    581.590  85.594  6.8515  75.994  7.1500  9.600296       9.902787  
1 1 1 -1  21  32 o 36.629  1.8790  732.614    74.295   281.875    476.714  743.835    75.214   25.901  10.626  36.908  1.8879  -11.00676      10.79196  
1 1 1 -1  21  33 o 15.733  3.1705  141.824    52.160   125.698    52.966   659.604    300.121  14.757  3.3858  31.709  8.5455  -16.95171      9.191768  
1 1 1 -1  21  34 o 22.250  9.5518  209.261    413.344  0.0000     0.0000   209.261    413.344  ?       ?       22.250  9.5518  0.000000       9.551785  
1 1 1 -1  21  35 o 19.294  8.9640  -64.5292   450.983  0.0000     0.0000   -64.5292   450.983  ?       ?       19.294  8.9640  0.000000       8.964030  
1 1 1 -1  21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  22  1  o 528.266 12.499  151931.91  7151.77  151931.91  7151.77  0.0000     0.0000   528.266 12.499  ?       ?       0.000000       12.49944  
1 1 1 -1  22  2  o 143.631 3.0683  11175.73   477.333  11441.02   675.308  10910.84   674.792  145.304 4.2909  141.896 4.3907  3.408676       6.139238  
1 1 1 -1  22  3  o 177.972 3.5266  17160.14   679.787  16977.69   961.395  17342.57   961.335  176.987 5.0152  178.880 4.9618  -1.893311      7.054935  
1 1 1 -1  22  4  o 95.057  2.5537  4894.31    262.923  4935.64    371.865  4853.00    371.793  95.449  3.5970  94.646  3.6268  0.8027267      5.108099  
1 1 1 -1  22  5  o 148.367 3.1454  11923.92   505.456  11768.68   714.547  12079.39   715.099  147.380 4.4763  149.314 4.4218  -1.933731      6.292028  
1 1 1 -1  22  6  f 116.082 2.7197  7298.54    341.941  7409.13    483.827  7188.17    483.329  116.951 3.8196  115.193 3.8739  1.757584       5.440253  
1 1 1 -1  22  7  o 538.822 8.9305  157429.50  5211.86  166226.00  7370.92  148634.09  7370.44  553.354 12.298  523.180 13.007  30.17462       17.90052  
1 1 1 -1  22  8  o 616.481 14.438  206454.30  9640.51  207788.00  13634.29 205120.70  13633.19 617.523 20.385  613.522 20.516  4.000488       28.92163  
1 1 1 -1  22  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  22  10 o 248.003 4.8299  33321.14   1297.37  34744.07   2426.74  32751.70   1535.17  253.129 8.8514  245.855 5.7651  7.273987       10.56331  
1 1 1 -1  22  11 o 398.325 7.7887  86018.30   3360.26  0.0000     0.0000   86018.30   3360.26  ?       ?       398.325 7.7887  0.000000       7.788713  
1 1 1 -1  22  12 o 476.846 9.2254  123356.10  4764.66  129522.60  8254.03  120274.50  5835.00  487.819 15.622  470.629 11.447  17.19043       19.36700  
1 1 1 -1  22  13 o 118.133 3.4549  7559.85    442.056  7069.06    764.646  7806.23    541.766  114.025 6.2149  120.034 4.1671  -6.008575      7.482617  
1 1 1 -1  22  14 o 249.931 5.2351  33858.36   1417.16  35507.28   2456.01  33035.33   1735.15  255.732 8.8670  246.816 6.4907  8.916412       10.98877  
1 1 1 -1  22  15 o 126.201 3.0381  8628.45    415.277  9871.24    831.881  8215.95    479.266  134.920 5.6926  123.138 3.5935  11.78176       6.731948  
1 1 1 -1  22  16 o 233.560 4.3338  29570.25   1096.33  30212.62   2189.41  29355.27   1266.55  235.752 8.5743  232.671 5.0259  3.081543       9.938751  
1 1 1 -1  22  17 o 383.319 6.5485  79777.05   2718.76  86272.51   5437.46  77611.83   3139.36  397.231 12.638  377.901 7.6700  19.32977       14.78347  
1 1 1 -1  22  18 o 466.109 8.5906  118269.70  4336.93  107979.40  8025.85  122513.60  5154.25  442.166 16.759  473.949 10.041  -31.78268      19.53621  
1 1 1 -1  22  19 o 322.750 5.6315  56555.31   1968.60  55162.09   3934.72  57020.50   2273.62  317.496 11.442  323.942 6.4801  -6.446136      13.14963  
1 1 1 -1  22  20 o 165.418 3.4884  14834.65   624.989  15502.68   1245.68  14609.91   722.508  168.842 6.8117  164.128 4.0643  4.714523       7.932079  
1 1 1 -1  22  21 o 296.539 5.3041  47760.83   1703.58  50994.86   3402.45  46678.83   1968.04  305.185 10.293  293.004 6.2014  12.18143       12.01711  
1 1 1 -1  22  22 o 180.108 3.8053  17598.59   742.330  18530.80   1410.69  17241.61   872.971  184.416 7.0626  178.206 4.5228  6.209534       8.386621  
1 1 1 -1  22  23 o 279.347 5.2445  42443.76   1586.78  44976.21   2955.61  41418.25   1880.82  286.135 9.5369  275.688 6.2988  10.44708       11.42922  
1 1 1 -1  22  24 o 201.299 4.1730  22027.56   909.831  20613.04   1713.86  22582.62   1073.60  193.696 8.1693  203.681 4.8666  -9.985291      9.508990  
1 1 1 -1  22  25 o 26.758  0.9823  387.873    28.468   366.572    40.743   408.192    39.793   25.968  1.4544  27.447  1.3386  -1.478842      1.976659  
1 1 1 -1  22  26 o 77.502  3.2050  3267.41    269.035  3966.41    581.397  3076.95    303.481  84.606  6.3917  75.151  3.7284  9.455376       7.399676  
1 1 1 -1  22  27 o 59.745  3.5425  1953.12    228.210  2347.81    510.711  1854.65    255.095  64.474  7.4507  58.115  4.0785  6.358418       8.493908  
1 1 1 -1  22  28 o 94.730  2.7988  4886.49    287.164  5411.23    501.013  4629.76    350.440  99.207  4.6627  92.063  3.5144  7.143623       5.838848  
1 1 1 -1  22  29 o 56.294  5.7476  1781.15    345.528  1519.94    514.427  1995.87    466.397  50.264  9.8014  58.918  7.4770  -8.654297      12.32773  
1 1 1 -1  22  30 o ?       ?       -145.7704  25.168   421.289    434.337  -147.6808  25.211   28.345  10.562  ?       ?       0.000000       10.56167  
1 1 1 -1  22  31 o 16.918  7.2033  28.509     231.596  -397.2582  447.238  184.515    270.721  18.261  8.6238  20.988  8.2091  -2.727194      11.90625  
1 1 1 -1  22  32 o 30.520  7.5240  570.968    247.134  302.834    474.715  670.654    289.451  26.119  10.646  32.835  8.1715  -6.716597      13.42063  
1 1 1 -1  22  33 o 33.626  1.4148  615.270    51.527   445.003    71.995   794.076    73.778   28.382  2.3635  38.147  1.7856  -9.764664      2.962171  
1 1 1 -1  22  34 o 34.416  1.6630  646.987    61.989   0.0000     0.0000   646.987    61.989   ?       ?       34.416  1.6630  0.000000       1.662961  
1 1 1 -1  22  35 o 36.440  11.191  1120.59    484.207  0.0000     0.0000   1120.59    484.207  ?       ?       36.440  11.191  0.000000       11.19123  
1 1 1 -1  22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  23  1  o 507.388 17.072  140749.30  9381.83  140749.30  9381.83  0.0000     0.0000   507.388 17.072  ?       ?       0.000000       17.07170  
1 1 1 -1  23  2  o 487.254 11.569  129121.40  6105.59  129866.90  8634.03  128375.80  8635.20  487.628 16.348  484.796 16.445  2.832062       23.18825  
1 1 1 -1  23  3  f 104.377 2.6283  5901.15    297.128  5791.83    420.205  6010.48    420.199  103.395 3.7523  105.329 3.6833  -1.934349      5.257962  
1 1 1 -1  23  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  23  5  o 594.214 19.819  192829.09  12755.39 192829.09  12755.39 0.0000     0.0000   594.214 19.819  ?       ?       0.000000       19.81895  
1 1 1 -1  23  6  o 281.326 4.9767  42879.55   1516.43  44574.68   2144.83  41185.31   2144.27  286.775 6.9053  275.647 7.1822  11.12787       9.963261  
1 1 1 -1  23  7  o 252.934 4.5114  34656.82   1235.91  36016.93   1748.32  33298.22   1747.34  257.812 6.2611  247.885 6.5082  9.927246       9.030899  
1 1 1 -1  23  8  o 623.592 11.038  210970.41  7455.52  213822.80  9739.66  206933.50  11586.63 627.407 14.333  616.784 17.344  10.62311       22.49986  
1 1 1 -1  23  9  o 506.630 8.4121  139155.00  4615.99  139017.20  6528.24  139292.80  6527.75  506.101 11.909  506.603 11.897  -0.5025940     16.83342  
1 1 1 -1  23  10 o 769.185 14.498  321529.41  12078.19 311711.69  20919.11 326438.91  14793.02 754.566 25.596  774.386 17.637  -19.81982      31.08433  
1 1 1 -1  23  11 o 377.596 7.4542  77293.06   3048.58  0.0000     0.0000   77293.06   3048.58  ?       ?       377.596 7.4542  0.000000       7.454184  
1 1 1 -1  23  12 o 244.204 5.0943  32313.70   1347.42  34549.62   2339.85  31204.38   1648.12  252.383 8.5597  239.939 6.3419  12.44427       10.65306  
1 1 1 -1  23  13 o 389.737 9.7244  82469.56   4104.93  84699.18   8484.18  81788.09   4690.49  392.857 20.005  387.966 11.162  4.891968       22.90869  
1 1 1 -1  23  14 o 101.000 3.3341  5526.40    364.726  5980.00    636.559  5304.71    445.016  104.876 5.6244  98.943  4.1526  5.933266       6.991302  
1 1 1 -1  23  15 o 258.419 4.9757  36203.19   1392.66  34394.82   3690.75  36503.42   1503.83  250.657 13.646  259.466 5.3512  -8.809479      14.65764  
1 1 1 -1  23  16 o 438.110 7.9235  104289.70  3759.86  99857.09   10607.24 104926.60  4020.93  422.839 23.250  439.346 8.4499  -16.50772      24.73820  
1 1 1 -1  23  17 o 252.985 4.6059  34705.08   1262.05  33693.32   2523.18  35042.66   1457.47  248.765 9.3646  254.160 5.2945  -5.394180      10.75763  
1 1 1 -1  23  18 o 264.383 4.7744  37915.24   1367.16  35151.87   2732.56  38837.94   1579.00  253.878 9.9374  267.514 5.4496  -13.63602      11.33360  
1 1 1 -1  23  19 o 276.417 4.9804  41461.15   1491.07  43717.20   2981.83  40708.92   1721.80  283.042 9.7266  273.800 5.8060  9.241791       11.32772  
1 1 1 -1  23  20 o 166.936 3.6475  15109.92   659.500  14519.01   1539.29  15242.78   729.884  162.942 8.7541  167.646 4.0197  -4.704056      9.632818  
1 1 1 -1  23  21 o 70.795  3.2835  2717.36    251.777  2202.35    503.424  2889.15    290.752  63.146  7.5079  72.895  3.6947  -9.749004      8.367743  
1 1 1 -1  23  22 o 119.657 3.2682  7764.21    423.560  7171.38    833.994  7970.26    491.692  114.551 6.7518  121.209 3.7453  -6.657463      7.721001  
1 1 1 -1  23  23 o 151.063 3.4921  12382.74   571.362  10611.50   1102.65  13032.89   668.044  139.182 7.3404  154.932 3.9810  -15.74954      8.350466  
1 1 1 -1  23  24 f 155.651 3.7249  13161.54   627.974  13647.08   1364.29  13031.02   707.364  157.405 8.0291  154.809 4.2187  2.595764       9.069913  
1 1 1 -1  23  25 o 72.883  2.6763  2883.32    211.266  3094.88    499.581  2837.25    233.139  74.886  6.2155  72.279  2.9781  2.606987       6.892140  
1 1 1 -1  23  26 o 29.840  1.5917  484.125    51.257   776.974    442.888  480.150    51.603   36.528  10.583  29.716  1.6093  6.812260       10.70445  
1 1 1 -1  23  27 o 97.346  3.2033  5161.40    337.746  6081.21    694.375  4876.35    386.555  104.696 6.1504  94.515  3.7761  10.18086       7.217097  
1 1 1 -1  23  28 o 82.770  4.7222  3780.81    421.583  3975.43    613.957  3607.19    579.914  84.053  6.8023  80.065  6.7503  3.988152       9.583196  
1 1 1 -1  23  29 o 74.195  4.9564  3057.40    396.010  2661.02    581.283  3400.71    540.973  67.811  8.0730  77.593  6.4968  -9.781815      10.36251  
1 1 1 -1  23  30 o 30.922  7.1376  566.620    234.201  758.640    458.782  498.944    272.363  34.892  10.923  28.864  8.2807  6.027742       13.70702  
1 1 1 -1  23  31 o 80.904  3.0380  3589.00    266.216  2990.09    619.815  3724.48    294.792  70.781  8.2391  82.323  3.3062  -11.54225      8.877666  
1 1 1 -1  23  32 o 63.515  4.3356  2263.26    296.480  2666.92    558.718  2105.04    349.790  66.434  7.9209  60.683  5.3777  5.751766       9.573953  
1 1 1 -1  23  33 o 29.243  1.4088  465.365    44.619   471.517    45.168   217.027    286.972  29.434  1.4168  21.132  8.3934  8.302652       8.512153  
1 1 1 -1  23  34 o 23.002  9.6958  269.336    412.680  0.0000     0.0000   269.336    412.680  ?       ?       23.002  9.6958  0.000000       9.695815  
1 1 1 -1  23  35 o 17.705  8.3570  -178.6599  419.012  0.0000     0.0000   -178.6599  419.012  ?       ?       17.705  8.3570  0.000000       8.357042  
1 1 1 -1  23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  24  1  o 382.397 6.4940  79290.05   2689.65  80302.47   3803.94  78277.86   3803.54  384.592 9.1319  379.701 9.2486  4.891449       12.99728  
1 1 1 -1  24  2  o 133.343 2.9400  9631.34    424.612  9872.63    600.562  9390.16    600.422  134.987 4.1077  131.645 4.2110  3.341324       5.882616  
1 1 1 -1  24  3  o 254.014 4.5597  34961.79   1254.48  34842.45   1774.40  35081.04   1773.81  253.511 6.4623  254.378 6.4381  -0.8675537     9.121965  
1 1 1 -1  24  4  o 251.434 4.5352  34252.24   1235.06  35444.17   1746.80  33060.74   1746.49  255.715 6.3069  246.960 6.5293  8.755325       9.077966  
1 1 1 -1  24  5  o 413.403 6.9687  92637.66   3120.29  95219.41   4412.82  90056.07   4412.68  418.941 9.7251  407.403 10.0000 11.53799       13.94924  
1 1 1 -1  24  6  o 299.890 5.6004  48728.65   1819.08  48409.95   2394.78  49163.37   2796.91  298.852 7.3984  301.123 8.5756  -2.271027      11.32599  
1 1 1 -1  24  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  24  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  24  9  o 901.506 29.879  446326.31  29174.22 446326.31  29174.22 0.0000     0.0000   901.506 29.879  ?       ?       0.000000       29.87862  
1 1 1 -1  24  10 o 683.211 11.172  253321.09  8266.97  266250.69  11691.85 240394.20  11690.67 699.757 15.426  664.766 16.237  34.99011       22.39662  
1 1 1 -1  24  11 o 417.446 9.0642  94518.84   4098.28  0.0000     0.0000   94518.84   4098.28  ?       ?       417.446 9.0642  0.000000       9.064234  
1 1 1 -1  24  12 o 274.086 5.6328  40712.09   1672.17  43181.93   2899.59  39481.38   2046.82  282.092 9.4902  269.859 7.0028  12.23346       11.79421  
1 1 1 -1  24  13 o 530.805 10.236  153037.70  5884.60  155153.59  10191.47 151979.50  7207.48  532.904 17.657  528.565 12.590  4.339050       21.68573  
1 1 1 -1  24  14 o 93.508  3.1274  4736.83    316.735  5154.17    585.353  4564.05    376.637  97.345  5.5750  91.779  3.7888  5.565491       6.740618  
1 1 1 -1  24  15 o 198.078 4.0226  21263.02   863.010  19968.77   2147.99  21512.16   942.419  191.285 10.407  199.222 4.3675  -7.937500      11.28618  
1 1 1 -1  24  16 o 75.264  2.9420  3069.17    239.826  2754.92    481.561  3172.82    276.563  70.967  6.3316  76.520  3.3370  -5.552834      7.157106  
1 1 1 -1  24  17 o 271.880 5.6829  40112.15   1673.48  40507.16   4134.03  40034.73   1830.14  271.448 14.110  271.563 6.2222  -0.1155090     15.42072  
1 1 1 -1  24  18 o 392.448 6.6927  83678.45   2844.80  93395.20   5690.06  80440.22   3284.81  412.862 12.725  384.537 7.8868  28.32452       14.97050  
1 1 1 -1  24  19 o 104.205 2.8052  5884.28    316.610  6278.22    670.505  5771.24    359.175  107.369 5.7871  103.188 3.2137  4.180504       6.619529  
1 1 1 -1  24  20 o 138.792 3.2514  10442.14   488.772  11149.74   977.281  10206.10   564.436  143.227 6.2998  137.190 3.7986  6.036850       7.356364  
1 1 1 -1  24  21 o 207.165 4.0074  23282.39   899.185  24057.83   1797.28  23023.49   1038.50  210.063 7.8995  205.948 4.6556  4.114639       9.169315  
1 1 1 -1  24  22 o 167.423 3.8305  15208.70   694.611  15344.93   1538.67  15173.84   778.447  167.335 8.5178  167.189 4.2988  0.1457214      9.541097  
1 1 1 -1  24  23 f 220.792 4.7672  26501.21   1140.03  26775.07   2707.03  26442.16   1256.92  219.680 11.416  220.454 5.2641  -0.7743378     12.57165  
1 1 1 -1  24  24 o 112.354 3.1123  6851.85    378.745  6763.22    753.574  6881.80    438.099  111.063 6.2904  112.557 3.5936  -1.493996      7.244486  
1 1 1 -1  24  25 o 59.396  3.4602  1924.56    221.639  1737.75    440.106  1988.04    256.545  55.658  7.4908  60.305  3.9495  -4.646858      8.468229  
1 1 1 -1  24  26 o 110.513 3.0362  6641.82    363.419  8066.99    777.099  6242.87    411.151  121.084 5.9254  107.061 3.5457  14.02332       6.905239  
1 1 1 -1  24  27 f 88.911  2.6296  4297.91    253.235  4845.02    439.943  4026.82    309.682  94.088  4.3171  85.960  3.3262  8.128159       5.449839  
1 1 1 -1  24  28 o 61.172  5.4067  2084.55    354.535  1998.99    526.153  2155.71    479.821  58.715  8.5225  61.513  7.3472  -2.798183      11.25232  
1 1 1 -1  24  29 o 46.553  6.6489  1241.04    325.723  1392.77    487.504  1118.68    437.782  48.040  9.7033  42.973  9.6427  5.067360       13.67973  
1 1 1 -1  24  30 f 51.432  4.5794  1476.78    252.435  1435.00    502.756  1490.86    291.897  48.196  9.9605  51.415  5.3186  -3.219208      11.29151  
1 1 1 -1  24  31 o 54.455  4.6244  1663.46    270.169  820.380    521.860  1972.16    315.781  35.497  11.701  59.168  4.9736  -23.67123      12.71455  
1 1 1 -1  24  32 o 44.763  5.6630  1159.63    268.417  867.519    503.136  1275.84    317.351  35.626  11.473  46.547  6.4697  -10.92021      13.17148  
1 1 1 -1  24  33 o 5.5775  2.4972  -13.2653   31.062   -14.6749   31.257   98.988     278.929  5.5408  2.4910  18.786  7.9477  -13.24477      8.328906  
1 1 1 -1  24  34 o 23.265  9.9365  267.040    443.187  0.0000     0.0000   267.040    443.187  ?       ?       23.265  9.9365  0.000000       9.936539  
1 1 1 -1  24  35 o 20.333  9.1252  105.088    417.418  0.0000     0.0000   105.088    417.418  ?       ?       20.333  9.1252  0.000000       9.125158  
1 1 1 -1  24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  25  1  o 505.667 11.952  139010.20  6545.93  139010.20  6545.93  0.0000     0.0000   505.667 11.952  ?       ?       0.000000       11.95188  
1 1 1 -1  25  2  o 67.722  2.3518  2484.05    172.502  2537.08    243.684  2430.78    244.226  68.436  3.2875  66.901  3.3814  1.534988       4.716114  
1 1 1 -1  25  3  o 269.521 4.7911  39359.88   1398.61  39296.45   1978.00  39423.30   1977.87  269.233 6.7831  269.668 6.7717  -0.4346619     9.584702  
1 1 1 -1  25  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  25  5  o 264.435 4.7413  37883.21   1357.97  37724.64   1920.49  38041.77   1920.42  263.830 6.7207  264.938 6.6924  -1.107452      9.484550  
1 1 1 -1  25  6  o 183.666 3.5976  18271.80   715.659  18411.18   1011.87  18132.30   1012.32  184.347 5.0678  182.945 5.1089  1.402100       7.196061  
1 1 1 -1  25  7  o 435.004 7.3326  102557.20  3454.78  101172.20  4885.77  103942.20  4885.82  431.882 10.445  437.764 10.304  -5.881500      14.67226  
1 1 1 -1  25  8  o 332.530 5.7478  59912.69   2070.15  60211.63   2928.05  59613.91   2927.23  333.277 8.1115  331.617 8.1499  1.659912       11.49857  
1 1 1 -1  25  9  f 560.677 9.9014  170510.00  6012.86  172757.41  9337.74  168918.00  7859.08  563.746 15.293  557.735 13.010  6.011108       20.07804  
1 1 1 -1  25  10 o 274.882 4.9855  40937.59   1484.33  41597.82   1960.82  40051.47   2271.61  277.047 6.5345  271.809 7.7162  5.238190       10.11134  
1 1 1 -1  25  11 o 162.429 3.8569  14292.07   678.542  0.0000     0.0000   14292.07   678.542  ?       ?       162.429 3.8569  0.000000       3.856939  
1 1 1 -1  25  12 o 171.148 3.4686  15867.53   642.985  17170.72   1289.65  15436.43   741.751  177.969 6.6905  168.798 4.0571  9.170288       7.824507  
1 1 1 -1  25  13 o 441.627 8.6428  105855.40  4134.07  109741.10  7158.65  103911.10  5063.81  448.716 14.730  437.296 10.691  11.41934       18.20068  
1 1 1 -1  25  14 o 117.950 3.5255  7537.57    450.394  8814.23    795.824  6935.97    546.302  127.499 5.7629  113.129 4.4585  14.36978       7.286221  
1 1 1 -1  25  15 o 213.146 4.3378  24624.69   1001.41  23326.57   1882.34  25137.13   1182.66  207.205 8.3874  215.318 5.0712  -8.112625      9.801311  
1 1 1 -1  25  16 o 123.318 3.0542  8239.83    407.934  8334.90    809.554  8207.47    472.276  123.935 6.0309  123.065 3.5432  0.8702469      6.994686  
1 1 1 -1  25  17 o 137.749 3.1927  10282.53   476.345  10211.21   952.885  10306.29   549.998  137.133 6.4155  137.893 3.6826  -0.7595215     7.397264  
1 1 1 -1  25  18 o 266.184 4.7650  38435.70   1373.77  38966.89   2744.36  38258.09   1586.90  267.354 9.4773  265.492 5.5186  1.861511       10.96695  
1 1 1 -1  25  19 o 63.604  2.4671  2191.96    169.962  2756.78    446.116  2096.06    183.825  71.008  5.8527  62.194  2.7289  8.813995       6.457644  
1 1 1 -1  25  20 f 121.352 3.0973  7982.19    407.098  8012.63    808.321  7971.85    471.223  121.267 6.1746  121.255 3.5880  0.1164246E-01  7.141448  
1 1 1 -1  25  21 o 220.636 4.1782  26413.92   998.469  25736.58   1995.40  26640.17   1153.23  217.134 8.4846  221.510 4.8068  -4.375458      9.751575  
1 1 1 -1  25  22 o 196.988 4.1590  21063.17   887.347  24406.16   1585.42  19538.29   1070.77  211.613 6.9172  189.598 5.2142  22.01497       8.662362  
1 1 1 -1  25  23 o 206.934 4.0950  23258.13   917.828  23731.62   1726.94  23071.74   1083.53  208.274 7.6555  205.982 4.8567  2.292236       9.066086  
1 1 1 -1  25  24 o 150.482 3.3808  12297.81   551.022  13802.57   1099.93  11793.65   636.674  158.852 6.3930  147.284 3.9911  11.56740       7.536492  
1 1 1 -1  25  25 o 41.404  4.4464  945.261    196.278  881.742    380.184  968.343    229.183  39.037  9.1510  41.783  5.1749  -2.746086      10.51286  
1 1 1 -1  25  26 o 39.348  5.2474  863.592    218.059  1168.11    455.781  773.199    248.324  44.682  9.6964  36.923  6.4438  7.758476       11.64231  
1 1 1 -1  25  27 o 83.815  3.6345  3833.60    329.941  3677.48    398.847  4172.03    587.239  81.801  4.5192  86.564  6.3067  -4.762672      7.758761  
1 1 1 -1  25  28 o 47.590  2.4883  1235.40    127.811  1364.29    485.278  1225.79    132.489  47.834  9.6985  47.389  2.5911  0.4447327      10.03868  
1 1 1 -1  25  29 o 96.933  3.3466  5140.05    351.358  5531.62    699.501  5007.92    406.337  98.960  6.5634  95.497  3.9285  3.462654       7.649282  
1 1 1 -1  25  30 o 50.670  4.7733  1437.76    258.876  1728.54    504.229  1333.67    301.669  53.551  9.0135  48.377  5.8781  5.174351       10.76084  
1 1 1 -1  25  31 o 50.333  4.9536  1430.43    266.549  1270.33    509.702  1490.69    312.718  44.291  10.737  51.035  5.7580  -6.744240      12.18321  
1 1 1 -1  25  32 o 25.501  7.9257  396.895    242.034  152.263    466.167  487.178    283.196  23.820  10.182  27.928  8.5556  -4.108242      13.29970  
1 1 1 -1  25  33 o 30.192  7.6781  589.422    251.658  939.459    480.503  457.114    295.415  35.268  11.197  26.322  8.8088  8.946177       14.24646  
1 1 1 -1  25  34 o 47.471  9.8027  1616.49    487.322  0.0000     0.0000   1616.49    487.322  ?       ?       47.471  9.8027  0.000000       9.802744  
1 1 1 -1  25  35 o 25.011  10.181  458.422    433.396  0.0000     0.0000   458.422    433.396  ?       ?       25.011  10.181  0.000000       10.18094  
1 1 1 -1  25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  26  1  o 172.536 3.4621  16125.82   646.973  16207.01   915.208  16044.72   914.708  172.946 4.8858  172.077 4.9078  0.8684692      6.925179  
1 1 1 -1  26  2  o 86.397  2.5128  4042.95    235.143  4017.25    332.181  4068.77    332.906  86.116  3.5614  86.666  3.5465  -0.5505676     5.026063  
1 1 1 -1  26  3  o 322.694 5.6018  56427.98   1957.88  55839.36   2768.92  57016.56   2768.82  320.904 7.9664  324.273 7.8834  -3.369232      11.20767  
1 1 1 -1  26  4  o 419.083 7.0835  95197.41   3215.27  93273.73   4547.12  97121.01   4547.04  414.636 10.125  423.116 9.9220  -8.480011      14.17617  
1 1 1 -1  26  5  o 598.486 9.8993  194273.00  6416.98  201311.00  9075.12  187235.50  9074.84  608.796 13.763  587.062 14.272  21.73413       19.82695  
1 1 1 -1  26  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  26  7  o 323.303 5.6209  56631.91   1968.29  56142.70   2783.74  57121.00   2783.43  321.828 7.9861  324.623 7.9165  -2.794495      11.24491  
1 1 1 -1  26  8  o 390.197 7.1923  82518.89   3039.64  83595.66   3985.33  81021.36   4699.93  392.626 9.3716  386.420 11.230  6.205994       14.62632  
1 1 1 -1  26  9  o 180.120 3.5836  17573.32   699.121  17798.84   988.977  17348.05   988.435  181.253 5.0377  178.942 5.0999  2.310928       7.168516  
1 1 1 -1  26  10 o 574.992 9.5408  179338.50  5941.79  179703.09  8403.45  178974.00  8402.45  575.107 13.491  573.936 13.517  1.171631       19.09726  
1 1 1 -1  26  11 o 356.585 12.288  69072.13   4745.83  0.0000     0.0000   69072.13   4745.83  ?       ?       356.585 12.288  0.000000       12.28795  
1 1 1 -1  26  12 f 364.425 6.1851  71990.22   2441.32  80168.61   4884.38  69266.67   2818.67  384.090 11.741  357.399 7.2815  26.69049       13.81565  
1 1 1 -1  26  13 o 589.383 12.528  189036.41  7997.14  186632.70  12427.46 190735.30  10447.75 583.557 19.662  591.027 16.321  -7.469971      25.55329  
1 1 1 -1  26  14 o 115.546 3.4600  7233.53    433.013  7938.17    755.699  6889.09    528.350  120.993 5.7666  112.747 4.3266  8.246574       7.209220  
1 1 1 -1  26  15 o 507.475 8.4801  139948.59  4661.06  143368.59  9321.17  138808.30  5382.31  511.055 16.840  505.103 9.8383  5.951843       19.50296  
1 1 1 -1  26  16 f 105.375 2.9310  6016.24    334.517  6725.25    671.489  5782.20    385.798  111.200 5.5931  103.295 3.4483  7.904884       6.570660  
1 1 1 -1  26  17 o 424.204 7.2051  97786.90   3310.44  103467.00  6620.82  95893.47   3822.58  434.258 14.076  419.816 8.4067  14.44104       16.39574  
1 1 1 -1  26  18 o 269.148 4.8384  39299.61   1410.46  40043.19   2817.77  39051.02   1629.27  270.983 9.6005  268.215 5.6084  2.768829       11.11859  
1 1 1 -1  26  19 o 147.615 3.2874  11811.23   525.601  13426.61   1051.91  11273.73   606.776  157.205 6.1779  144.191 3.8853  13.01428       7.298072  
1 1 1 -1  26  20 o 265.648 4.8502  38302.28   1395.52  41567.21   2787.87  37210.67   1612.01  275.909 9.3290  261.726 5.6866  14.18317       10.92555  
1 1 1 -1  26  21 o 267.204 5.3198  38789.64   1539.60  42818.61   4098.12  38127.55   1661.29  278.293 13.596  264.836 5.7916  13.45663       14.77820  
1 1 1 -1  26  22 o 139.071 3.3144  10489.91   499.244  10750.42   968.910  10395.75   582.527  140.501 6.3670  138.406 3.8859  2.094986       7.459129  
1 1 1 -1  26  23 o 174.822 3.6305  16590.73   687.441  16306.83   1372.57  16685.79   794.234  172.686 7.3385  175.253 4.1842  -2.567169      8.447561  
1 1 1 -1  26  24 o 97.381  3.1138  5148.30    328.425  5236.04    643.822  5117.44    381.844  97.677  6.1164  97.046  3.6328  0.6316681      7.113914  
1 1 1 -1  26  25 o 46.925  4.4369  1211.36    222.824  1346.38    472.695  1172.78    252.657  48.347  9.3652  46.038  5.1555  2.309406       10.69046  
1 1 1 -1  26  26 o 110.575 4.2595  6678.86    510.136  6903.18    690.165  6408.70    757.394  111.893 5.7138  107.505 6.5356  4.388107       8.681166  
1 1 1 -1  26  27 o 52.727  5.8903  1554.40    330.637  1637.52    488.127  1483.93    449.448  53.176  8.7817  50.672  8.4895  2.504147       12.21436  
1 1 1 -1  26  28 f 73.464  3.7278  2960.32    295.642  3197.44    573.662  2874.56    344.984  75.128  7.1356  72.199  4.4330  2.928513       8.400511  
1 1 1 -1  26  29 o 30.059  1.4079  490.222    45.836   135.757    445.168  494.020    46.081   24.264  10.139  30.175  1.4099  -5.911409      10.23671  
1 1 1 -1  26  30 o 84.559  3.5922  3929.54    328.996  4513.67    638.768  3718.65    383.820  88.829  6.6883  81.875  4.3437  6.953644       7.975039  
1 1 1 -1  26  31 o 50.303  2.4004  1381.28    130.783  1683.08    508.942  1359.94    135.327  52.138  9.3563  49.832  2.5155  2.306377       9.688521  
1 1 1 -1  26  32 o 23.044  2.4388  293.798    59.944   1208.65    473.010  278.866    60.432   42.587  10.355  22.425  2.5324  20.16237       10.66008  
1 1 1 -1  26  33 o 56.367  5.7965  1890.87    348.841  0.0000     0.0000   1890.87    348.841  ?       ?       56.367  5.7965  0.000000       5.796469  
1 1 1 -1  26  34 o 15.887  7.4881  -211.6763  334.251  0.0000     0.0000   -211.6763  334.251  ?       ?       15.887  7.4881  0.000000       7.488136  
1 1 1 -1  26  35 o 30.199  1.5519  499.797    50.589   0.0000     0.0000   499.797    50.589   ?       ?       30.199  1.5519  0.000000       1.551880  
1 1 1 -1  26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  27  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  27  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  27  4  o 623.385 20.722  211891.91  13991.43 211891.91  13991.43 0.0000     0.0000   623.385 20.722  ?       ?       0.000000       20.72218  
1 1 1 -1  27  5  o 482.908 8.0948  126412.40  4233.89  126399.40  5987.64  126425.50  5987.61  482.649 11.454  482.699 11.453  -0.4992676E-01 16.19740  
1 1 1 -1  27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  27  7  o 239.183 4.3532  30990.00   1127.75  31088.99   1595.23  30891.10   1594.53  239.531 6.1488  238.767 6.1658  0.7639160      8.707745  
1 1 1 -1  27  8  o 910.504 30.175  455351.59  29758.08 455351.59  29758.08 0.0000     0.0000   910.504 30.175  ?       ?       0.000000       30.17539  
1 1 1 -1  27  9  o 548.238 10.454  163069.70  6207.31  160429.30  7602.34  168350.50  10751.43 543.520 12.914  556.071 17.851  -12.55103      22.03259  
1 1 1 -1  27  10 o 539.039 10.322  157665.41  6026.16  168359.00  10439.01 152320.80  7380.01  556.024 17.334  529.535 12.867  26.48846       21.58784  
1 1 1 -1  27  11 o 496.303 9.5833  133655.50  5151.48  134739.20  6309.67  131488.80  8921.46  498.071 11.696  491.271 16.767  6.800751       20.44309  
1 1 1 -1  27  12 o 235.215 4.3273  29976.77   1102.42  29140.35   2205.87  30255.24   1272.77  231.730 8.7887  236.286 4.9733  -4.555664      10.09828  
1 1 1 -1  27  13 o 277.253 7.0063  41695.19   2103.95  40862.06   2974.50  42529.37   2976.36  274.241 10.014  279.797 9.8214  -5.556396      14.02644  
1 1 1 -1  27  14 o 220.850 4.1614  26432.71   995.428  26666.64   1989.19  26354.55   1149.74  221.595 8.2879  220.498 4.8142  1.097504       9.584693  
1 1 1 -1  27  15 o 221.547 4.1381  26603.78   992.980  28027.11   1986.56  26129.71   1146.48  227.124 8.0755  219.531 4.8217  7.593475       9.405412  
1 1 1 -1  27  16 o 154.398 3.3284  12918.25   556.599  13325.73   1109.66  12781.26   643.390  156.671 6.5393  153.560 3.8683  3.110657       7.597823  
1 1 1 -1  27  17 o 185.844 3.7135  18721.64   747.476  19554.77   1496.02  18444.45   862.906  189.683 7.2818  184.433 4.3197  5.250153       8.466656  
1 1 1 -1  27  18 o 292.741 5.6195  46521.18   1781.78  47722.34   4818.25  46330.90   1917.73  293.909 15.188  292.084 6.0619  1.824860       16.35278  
1 1 1 -1  27  19 o 155.960 3.3840  13185.28   571.620  14971.35   1144.29  12591.38   659.848  165.982 6.3651  152.378 3.9981  13.60490       7.516576  
1 1 1 -1  27  20 o 354.100 6.1416  68151.36   2355.47  69266.47   4708.06  67779.05   2720.42  355.070 12.242  352.911 7.1171  2.158722       14.16061  
1 1 1 -1  27  21 o 123.600 3.1639  8282.77    423.558  8814.56    846.556  8105.20    489.191  127.304 6.1396  122.243 3.6948  5.061966       7.165631  
1 1 1 -1  27  22 o 211.547 4.7544  24313.50   1089.38  28074.60   2568.34  23488.41   1202.95  225.925 10.496  207.839 5.3438  18.08591       11.77791  
1 1 1 -1  27  23 o 106.242 3.0295  6123.30    348.612  5769.60    628.063  6280.79    419.099  102.753 5.6652  107.562 3.5974  -4.808464      6.710909  
1 1 1 -1  27  24 o 139.527 3.3405  10574.06   504.818  10443.36   1085.09  10610.16   570.293  137.710 7.3011  139.708 3.7688  -1.998535      8.216407  
1 1 1 -1  27  25 o 98.822  3.0394  5306.79    325.317  5707.19    543.150  5082.80    406.244  102.202 4.9067  96.610  3.8824  5.592392       6.256886  
1 1 1 -1  27  26 o 38.089  2.3796  790.907    97.678   765.653    100.414  1235.53    421.327  37.462  2.4889  46.219  8.7365  -8.757393      9.084111  
1 1 1 -1  27  27 o 23.471  8.5889  260.396    284.979  473.502    428.195  90.949     381.823  29.982  10.583  22.562  9.4058  7.419695       14.15888  
1 1 1 -1  27  28 o 28.450  7.2652  472.756    224.662  633.031    444.941  417.911    260.278  32.992  10.801  26.946  8.1916  6.045593       13.55615  
1 1 1 -1  27  29 o 31.093  2.5680  530.348    85.708   468.078    90.233   1104.98    274.106  29.144  2.8969  44.108  5.8844  -14.96349      6.558884  
1 1 1 -1  27  30 o ?       ?       -79.8745   19.785   -76.2926   434.358  -79.8819   19.806   21.116  9.4043  ?       ?       0.000000       9.404250  
1 1 1 -1  27  31 o 16.966  7.1588  43.105     225.329  -328.7617  443.150  172.773    261.683  18.677  8.7457  20.513  8.0569  -1.835491      11.89119  
1 1 1 -1  27  32 o 41.330  5.9754  1002.51    259.722  1138.97    496.335  951.048    304.780  40.691  10.999  39.459  7.4032  1.231941       13.25854  
1 1 1 -1  27  33 o 23.972  8.8449  359.941    303.129  0.0000     0.0000   359.941    303.129  ?       ?       23.972  8.8449  0.000000       8.844875  
1 1 1 -1  27  34 o 25.652  10.249  450.295    430.187  0.0000     0.0000   450.295    430.187  ?       ?       25.652  10.249  0.000000       10.24860  
1 1 1 -1  27  35 o 24.221  10.099  409.304    440.237  0.0000     0.0000   409.304    440.237  ?       ?       24.221  10.099  0.000000       10.09864  
1 1 1 -1  27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  28  1  o 534.908 10.282  155242.30  5956.96  156129.09  7295.72  153468.50  10317.86 536.188 12.563  530.831 17.946  5.356262       21.90598  
1 1 1 -1  28  2  o 181.801 3.5482  17903.06   698.673  17831.18   988.266  17974.88   987.881  181.417 5.0295  182.146 5.0074  -0.7299194     7.097204  
1 1 1 -1  28  3  o 235.717 4.2694  30098.72   1090.00  29656.03   1541.77  30541.10   1541.22  233.943 6.0847  237.410 5.9937  -3.467346      8.540969  
1 1 1 -1  28  4  o 602.284 20.029  197619.70  13065.80 0.0000     0.0000   197619.70  13065.80 ?       ?       602.284 20.029  0.000000       20.02925  
1 1 1 -1  28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  28  6  o 469.499 7.8583  119480.60  3996.06  121002.70  5651.31  117958.60  5651.25  472.274 11.048  466.285 11.190  5.988983       15.72484  
1 1 1 -1  28  7  o 447.403 7.5280  108495.00  3647.95  110692.90  5159.12  106297.40  5158.83  451.727 10.545  442.652 10.760  9.075043       15.06550  
1 1 1 -1  28  8  f 754.772 17.601  310037.69  14389.04 310037.69  14389.04 0.0000     0.0000   754.772 17.601  ?       ?       0.000000       17.60133  
1 1 1 -1  28  9  o 444.304 7.4758  107008.90  3597.55  109578.40  5088.31  104440.60  5087.09  449.400 10.454  438.718 10.706  10.68219       14.96299  
1 1 1 -1  28  10 o 924.688 30.755  471443.09  30802.60 471443.09  30802.60 0.0000     0.0000   924.688 30.755  ?       ?       0.000000       30.75544  
1 1 1 -1  28  11 o 144.029 3.7002  11237.59   577.217  11079.92   712.763  11538.03   983.894  143.003 4.6018  145.900 6.2262  -2.897339      7.742253  
1 1 1 -1  28  12 o 159.655 3.8285  13809.65   662.033  15618.85   1151.96  12917.42   808.972  169.733 6.2662  154.392 4.8377  15.34059       7.916302  
1 1 1 -1  28  13 o 158.743 4.7721  13657.36   820.496  13616.31   1159.24  13698.57   1161.48  158.442 6.7551  158.921 6.7478  -0.4781342     9.547971  
1 1 1 -1  28  14 o 378.138 6.9595  77595.10   2850.36  83535.00   5287.90  75162.36   3384.09  391.457 12.472  371.989 8.3993  19.46783       15.03641  
1 1 1 -1  28  15 o 199.418 3.8673  21552.73   835.293  21128.08   1668.00  21694.87   965.012  197.210 7.8090  200.049 4.4538  -2.839127      8.989824  
1 1 1 -1  28  16 o 95.066  2.9283  4896.83    301.521  5017.05    597.659  4855.78    349.221  95.983  5.7758  94.659  3.4062  1.324471       6.705410  
1 1 1 -1  28  17 o 199.173 3.8498  21505.19   830.492  20606.72   1657.23  21806.49   959.695  194.654 7.8605  200.531 4.4186  -5.876953      9.017265  
1 1 1 -1  28  18 o 108.541 2.9736  6384.50    349.584  6181.08    704.115  6451.06    402.726  106.505 6.1297  109.094 3.4083  -2.589226      7.013582  
1 1 1 -1  28  19 o 131.932 3.1661  9434.50    452.424  8351.99    896.709  9804.16    524.010  123.766 6.7144  134.475 3.5977  -10.70963      7.617559  
1 1 1 -1  28  20 o 211.038 4.0562  24158.35   927.139  24331.52   1841.13  24099.52   1073.14  211.289 8.0452  210.722 4.7019  0.5675964      9.318421  
1 1 1 -1  28  21 o 282.587 5.0512  43374.43   1546.02  48125.00   3091.98  41790.84   1785.20  296.506 9.6280  277.222 5.9455  19.28336       11.31576  
1 1 1 -1  28  22 o 177.803 3.9015  17158.59   751.346  17183.07   1431.03  17149.27   882.815  177.409 7.4474  177.679 4.5874  -0.2694244     8.746842  
1 1 1 -1  28  23 o 85.372  3.1051  3954.46    287.120  5078.97    573.659  3578.61    331.650  96.400  5.5171  81.177  3.7721  15.22363       6.683332  
1 1 1 -1  28  24 o 55.110  2.4442  1647.48    145.897  1618.99    169.811  1727.81    285.129  54.538  2.8850  56.115  4.7355  -1.576691      5.545127  
1 1 1 -1  28  25 o 99.976  3.8669  5444.17    418.726  6149.25    551.895  4487.75    642.775  106.088 4.8031  90.038  6.6380  16.05038       8.193447  
1 1 1 -1  28  26 o 60.390  5.3718  2018.76    347.693  2196.65    507.642  1861.56    477.194  62.343  7.6803  57.249  7.9069  5.094078       11.02299  
1 1 1 -1  28  27 o 74.565  3.6144  3035.55    291.907  2350.49    571.286  3277.61    339.585  63.996  8.4485  77.294  4.0707  -13.29801      9.378023  
1 1 1 -1  28  28 o 63.762  3.9018  2235.58    268.166  1857.45    527.939  2367.07    311.319  56.285  8.9604  65.481  4.4153  -9.195820      9.989175  
1 1 1 -1  28  29 o 34.460  1.6003  644.670    59.728   655.838    61.298   434.900    265.658  34.756  1.6283  27.255  8.2737  7.501112       8.432390  
1 1 1 -1  28  30 o 47.162  4.9650  1252.19    249.808  1031.17    494.027  1328.11    289.554  40.093  11.031  48.328  5.6377  -8.235062      12.38786  
1 1 1 -1  28  31 o 56.643  4.5125  1797.92    274.550  2109.49    526.665  1681.65    321.722  59.064  8.4756  54.308  5.5474  4.756012       10.12960  
1 1 1 -1  28  32 o 38.864  1.6191  822.139    68.154   973.151    98.236   682.000    94.634   42.147  2.1592  35.189  2.4992  6.957401       3.302739  
1 1 1 -1  28  33 o 56.712  5.5363  1905.38    335.728  0.0000     0.0000   1905.38    335.728  ?       ?       56.712  5.5363  0.000000       5.536318  
1 1 1 -1  28  34 o 16.360  7.8688  -363.9340  409.320  0.0000     0.0000   -363.9340  409.320  ?       ?       16.360  7.8688  0.000000       7.868819  
1 1 1 -1  28  35 o 20.664  9.3960  96.470     459.928  0.0000     0.0000   96.470     459.928  ?       ?       20.664  9.3960  0.000000       9.396011  
1 1 1 -1  28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  29  1  o 635.171 21.105  220025.09  14519.05 220025.09  14519.05 0.0000     0.0000   635.171 21.105  ?       ?       0.000000       21.10460  
1 1 1 -1  29  2  o 338.817 5.8465  62200.95   2145.50  62165.37   3034.41  62236.52   3033.97  338.631 8.2733  338.825 8.2673  -0.1940002     11.69597  
1 1 1 -1  29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  29  4  o 324.536 5.6516  57064.43   1986.59  56018.30   2809.67  58110.25   2809.26  321.472 8.0694  327.425 7.9216  -5.953033      11.30780  
1 1 1 -1  29  5  o 672.632 15.701  245878.00  11438.33 245878.00  11438.33 0.0000     0.0000   672.632 15.701  ?       ?       0.000000       15.70054  
1 1 1 -1  29  6  o 152.186 3.2090  12544.61   528.958  12655.75   747.831  12433.33   748.290  152.848 4.5173  151.498 4.5603  1.349503       6.418861  
1 1 1 -1  29  7  o 540.974 8.9449  158682.30  5241.09  159557.30  7411.95  157807.41  7412.10  542.133 12.623  539.145 12.693  2.988342       17.90108  
1 1 1 -1  29  8  o 717.080 13.564  279304.41  10534.87 285335.19  12902.79 267244.41  18246.22 724.271 16.448  699.176 24.094  25.09467       29.17320  
1 1 1 -1  29  9  o 184.725 3.6008  18483.72   720.438  19667.20   1022.57  17317.31   1015.17  190.527 4.9553  178.778 5.2427  11.74895       7.213933  
1 1 1 -1  29  10 o 472.751 9.1122  121234.50  4665.81  113905.30  8082.47  124897.60  5714.05  457.403 16.315  479.658 10.999  -22.25583      19.67579  
1 1 1 -1  29  11 o 629.227 11.997  215159.00  8176.49  221247.00  10014.77 202987.91  14160.26 637.559 14.503  608.856 21.473  28.70288       25.91150  
1 1 1 -1  29  12 o 333.940 6.6956  60471.60   2421.74  63115.18   4194.69  59149.92   2965.97  340.739 11.366  330.155 8.2943  10.58456       14.07059  
1 1 1 -1  29  13 o 309.985 6.2765  52112.04   2107.31  50190.90   3649.75  53072.79   2581.00  303.761 11.093  312.725 7.6200  -8.963593      13.45829  
1 1 1 -1  29  14 o 59.970  3.0456  1953.50    197.178  2602.05    399.283  1744.32    226.757  69.064  5.3802  56.614  3.7187  12.44946       6.540283  
1 1 1 -1  29  15 o 134.257 3.2324  9766.86    470.044  10630.51   915.065  9457.30    547.846  139.971 6.0359  132.098 3.8291  7.873474       7.148018  
1 1 1 -1  29  16 o 346.880 5.9831  65305.07   2247.90  74712.13   4497.04  62171.70   2595.41  370.010 11.221  338.308 7.0831  31.70157       13.26982  
1 1 1 -1  29  17 o 417.739 7.7953  94905.56   3527.01  103224.50  9925.46  93703.28   3773.28  429.810 21.321  414.944 8.3958  14.86615       22.91431  
1 1 1 -1  29  18 o 190.726 4.3083  19728.41   889.997  20428.33   2060.65  19567.90   986.779  193.235 9.8788  189.915 4.7972  3.319839       10.98195  
1 1 1 -1  29  19 o 42.032  4.2685  968.132    191.629  800.957    375.048  1027.19    222.924  37.579  9.2716  43.239  4.8433  -5.659634      10.46038  
1 1 1 -1  29  20 o 235.290 4.3728  30039.29   1114.38  33107.38   2229.16  29017.08   1286.70  246.382 8.3534  231.167 5.1391  15.21552       9.807584  
1 1 1 -1  29  21 o 242.062 4.8886  31822.00   1281.68  34940.85   3348.87  31286.76   1387.31  251.755 12.281  239.952 5.3380  11.80272       13.39138  
1 1 1 -1  29  22 o 122.231 3.1520  8103.18    417.289  7840.62    832.655  8191.23    482.216  119.778 6.4419  122.864 3.6237  -3.085098      7.391160  
1 1 1 -1  29  23 o 140.302 3.3165  10684.30   503.985  10140.53   985.221  10877.03   586.536  136.217 6.6778  141.509 3.8269  -5.291977      7.696612  
1 1 1 -1  29  24 o 160.182 4.9026  13991.37   850.568  13267.70   1203.32  14713.99   1202.45  155.385 7.1499  163.755 6.7795  -8.369888      9.853124  
1 1 1 -1  29  25 o 42.888  7.0110  1040.51    314.418  1039.37    460.021  1041.51    430.733  42.132  10.192  42.282  9.6220  -0.1494179     14.01620  
1 1 1 -1  29  26 o 56.120  4.0779  1729.05    246.178  2375.15    499.994  1522.30    282.836  64.990  7.2254  52.444  5.0414  12.54577       8.810308  
1 1 1 -1  29  27 o 29.542  6.8763  505.492    215.898  771.477    439.639  420.963    247.841  36.037  10.574  27.060  7.9388  8.976931       13.22228  
1 1 1 -1  29  28 o 30.353  8.1415  542.996    273.179  546.247    446.539  541.051    345.342  31.258  10.822  30.446  9.4680  0.8120899      14.37935  
1 1 1 -1  29  29 o 46.024  2.5215  1157.67    125.215  1089.25    137.939  1478.06    298.491  44.578  2.8722  51.235  5.4632  -6.656704      6.172219  
1 1 1 -1  29  30 o 23.662  7.8194  318.113    232.982  355.112    455.372  304.994    271.159  27.297  10.655  23.776  8.4187  3.520515       13.57952  
1 1 1 -1  29  31 o 25.243  7.8788  379.732    238.897  -52.5480   465.524  534.273    278.343  21.786  9.7167  29.477  8.3424  -7.691263      12.80670  
1 1 1 -1  29  32 o 43.025  1.7233  1008.53    80.305   1046.74    83.710   567.220    284.471  43.826  1.7635  29.757  8.4380  14.06916       8.620313  
1 1 1 -1  29  33 o 17.626  1.3025  169.977    24.690   0.0000     0.0000   169.977    24.690   ?       ?       17.626  1.3025  0.000000       1.302530  
1 1 1 -1  29  34 o 32.648  1.6299  582.403    57.635   0.0000     0.0000   582.403    57.635   ?       ?       32.648  1.6299  0.000000       1.629881  
1 1 1 -1  29  35 o 4.6612  2.2733  -66.8283   37.344   0.0000     0.0000   -66.8283   37.344   ?       ?       4.6612  2.2733  0.000000       2.273286  
1 1 1 -1  29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  30  1  o 555.628 13.042  167607.30  7848.84  167607.30  7848.84  0.0000     0.0000   555.628 13.042  ?       ?       0.000000       13.04220  
1 1 1 -1  30  2  o 99.729  2.6547  5386.75    286.754  5399.08    405.943  5374.46    405.121  99.838  3.7540  99.610  3.7550  0.2279129      5.309702  
1 1 1 -1  30  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  30  4  o 391.332 6.6184  82984.92   2805.24  83535.16   3967.48  82434.83   3966.94  392.507 9.3325  389.910 9.3934  2.596832       13.24124  
1 1 1 -1  30  5  o 72.764  2.4616  2867.57    194.000  2613.93    274.415  3121.01    274.301  69.371  3.6652  75.909  3.3363  -6.537766      4.956297  
1 1 1 -1  30  6  o 193.155 3.7282  20208.98   779.964  20681.11   1103.35  19737.38   1102.72  195.379 5.2139  190.868 5.3341  4.511658       7.459088  
1 1 1 -1  30  7  o 295.767 5.2031  47394.00   1666.80  46308.09   2356.71  48480.86   2357.72  292.293 7.4442  299.078 7.2784  -6.784302      10.41113  
1 1 1 -1  30  8  o 478.176 7.9921  123960.30  4139.24  123409.50  5853.79  124511.00  5853.74  476.854 11.334  478.982 11.284  -2.128113      15.99301  
1 1 1 -1  30  9  o 133.073 2.9524  9591.54    425.528  10690.16   592.781  8423.53    611.217  140.479 3.8959  124.694 4.5256  15.78505       5.971582  
1 1 1 -1  30  10 o 162.813 4.7556  14362.33   838.623  14535.14   1191.39  14192.61   1180.67  163.751 6.7174  161.809 6.7368  1.941376       9.513571  
1 1 1 -1  30  11 o 310.428 5.3780  52225.63   1808.22  52690.16   2557.93  51761.62   2556.49  311.691 7.5769  308.929 7.6404  2.762421       10.76036  
1 1 1 -1  30  12 o 320.361 7.2017  55669.58   2498.87  56709.91   3919.12  54956.91   3243.76  322.971 11.204  318.122 9.4142  4.849243       14.63376  
1 1 1 -1  30  13 o 210.861 4.9756  24101.24   1136.35  25862.68   1816.84  22969.41   1456.37  218.288 7.6845  205.780 6.5343  12.50815       10.08707  
1 1 1 -1  30  14 o 412.265 7.4562  92282.02   3329.38  86207.05   9353.34  93163.42   3562.73  393.985 22.007  414.157 7.9423  -20.17230      23.39611  
1 1 1 -1  30  15 o 332.349 6.2088  59943.07   2234.99  66328.80   4156.12  57345.13   2650.93  348.825 11.000  324.907 7.5330  23.91748       13.33253  
1 1 1 -1  30  16 o 250.806 4.5801  34110.69   1244.18  35810.95   2488.92  33544.28   1436.54  256.503 8.9588  248.657 5.3340  7.846039       10.42646  
1 1 1 -1  30  17 o 499.540 8.4040  135823.80  4547.03  138357.30  9092.91  134979.09  5250.68  500.428 16.776  497.553 9.7433  2.874420       19.40025  
1 1 1 -1  30  18 o 237.291 4.6242  30545.13   1188.47  32529.80   2227.64  29755.45   1405.15  244.399 8.4154  234.117 5.5414  10.28180       10.07603  
1 1 1 -1  30  19 o 178.185 3.6741  17214.85   709.075  17247.62   1413.18  17203.83   819.732  178.038 7.3285  178.092 4.2497  -0.5400085E-01 8.471522  
1 1 1 -1  30  20 o 252.757 4.9613  34686.07   1358.22  34911.54   3575.01  34648.04   1468.32  251.315 13.180  252.563 5.3676  -1.248093      14.23082  
1 1 1 -1  30  21 o 231.696 4.3326  29139.17   1087.27  27859.66   2168.68  29568.75   1256.60  225.724 8.8705  233.312 4.9727  -7.588226      10.16923  
1 1 1 -1  30  22 f 124.158 3.2697  8362.23    439.699  8210.50    845.866  8418.41    514.705  122.572 6.3936  124.536 3.8158  -1.964745      7.445761  
1 1 1 -1  30  23 o 16.457  6.7642  47.233     193.654  300.376    341.282  -72.9806   235.183  25.773  9.4039  15.812  6.9871  9.960383       11.71555  
1 1 1 -1  30  24 o 133.384 4.5343  9694.75    655.062  9923.20    928.256  9468.11    924.549  134.543 6.3699  131.390 6.4968  3.153336       9.098576  
1 1 1 -1  30  25 o 79.140  4.7851  3436.30    408.231  3591.21    592.967  3296.73    562.861  80.368  6.8783  76.996  6.8199  3.371780       9.686240  
1 1 1 -1  30  26 o 91.606  3.0091  4566.12    298.559  4389.06    659.598  4611.74    334.822  88.667  6.9232  92.009  3.3598  -3.341507      7.695346  
1 1 1 -1  30  27 o 83.446  2.9930  3793.24    270.513  3823.57    617.707  3786.04    300.901  82.445  6.9831  83.308  3.3348  -0.8630295     7.738512  
1 1 1 -1  30  28 o 17.087  1.9828  160.729    36.013   430.379    437.138  158.887    36.136   28.984  10.633  16.985  2.0028  11.99889       10.81967  
1 1 1 -1  30  29 f 58.871  2.7329  1891.00    174.259  1727.01    210.856  2244.34    309.504  56.024  3.4923  63.573  4.5244  -7.549839      5.715474  
1 1 1 -1  30  30 o 64.868  3.9941  2332.11    279.260  2996.95    557.664  2109.59    322.626  71.778  7.2736  61.330  4.8978  10.44829       8.768910  
1 1 1 -1  30  31 o 51.729  4.7110  1508.02    261.055  1597.16    520.380  1478.04    301.776  50.165  9.9289  50.819  5.5742  -0.6539917     11.38660  
1 1 1 -1  30  32 o 57.664  1.9843  1815.72    123.931  2182.89    184.712  1515.12    167.133  63.003  2.7068  52.332  2.9608  10.67059       4.011645  
1 1 1 -1  30  33 o 16.494  7.9011  -360.0070  403.375  0.0000     0.0000   -360.0070  403.375  ?       ?       16.494  7.9011  0.000000       7.901125  
1 1 1 -1  30  34 o 22.627  9.8299  232.649    448.136  0.0000     0.0000   232.649    448.136  ?       ?       22.627  9.8299  0.000000       9.829921  
1 1 1 -1  30  35 o 30.525  10.786  806.964    444.906  0.0000     0.0000   806.964    444.906  ?       ?       30.525  10.786  0.000000       10.78636  
1 1 1 -1  30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  31  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  31  2  o 195.047 3.7644  20606.52   795.257  20475.83   1124.71  20737.18   1124.62  194.408 5.3414  195.645 5.3072  -1.237259      7.529754  
1 1 1 -1  31  3  o 702.003 23.258  268909.91  17684.10 268909.91  17684.10 0.0000     0.0000   702.003 23.258  ?       ?       0.000000       23.25806  
1 1 1 -1  31  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  31  5  o 295.965 5.1769  47456.10   1659.51  46230.03   2347.03  48681.91   2346.78  292.056 7.4196  299.707 7.2294  -7.650940      10.35933  
1 1 1 -1  31  6  o 461.625 7.7584  115509.80  3879.13  115922.30  5485.93  115097.40  5485.90  462.237 10.958  460.586 10.997  1.650635       15.52415  
1 1 1 -1  31  7  o 364.444 7.1669  71988.20   2829.01  71557.20   3464.67  72850.42   4900.41  363.275 8.8055  366.322 12.351  -3.046997      15.16849  
1 1 1 -1  31  8  o 105.694 2.7002  6050.56    309.108  6371.54    439.684  5736.88    434.649  108.455 3.7430  102.911 3.8995  5.544174       5.405194  
1 1 1 -1  31  9  o 274.207 5.2466  40740.70   1558.22  41018.02   2389.41  40535.49   2055.42  275.042 8.0209  273.462 6.9396  1.580139       10.60625  
1 1 1 -1  31  10 o 255.871 6.5183  35489.21   1806.46  36472.92   2557.65  34510.00   2551.79  259.275 9.1077  252.189 9.3422  7.085632       13.04710  
1 1 1 -1  31  11 o 107.003 2.8423  6201.89    329.412  6856.59    477.401  5606.89    455.115  112.497 3.9181  101.728 4.1306  10.76967       5.693229  
1 1 1 -1  31  12 o 96.396  3.2404  5033.88    338.321  5412.71    589.416  4847.74    413.162  99.775  5.4751  94.588  4.0329  5.187584       6.800070  
1 1 1 -1  31  13 o 209.588 5.0586  23813.26   1148.32  25806.06   2475.93  23267.12   1296.16  217.812 10.495  207.138 5.7773  10.67413       11.98015  
1 1 1 -1  31  14 o 191.173 3.7586  19805.83   778.265  20185.61   1554.57  19678.80   899.041  192.804 7.4443  190.537 4.3564  2.267258       8.625312  
1 1 1 -1  31  15 o 228.686 4.9739  28361.02   1232.00  30204.35   2971.16  27978.27   1353.88  235.271 11.660  227.103 5.5041  8.168472       12.89355  
1 1 1 -1  31  16 o 136.613 3.1457  10113.56   465.455  11468.94   933.039  9664.51    537.054  145.361 5.9263  133.529 3.7134  11.83168       6.993588  
1 1 1 -1  31  17 o 132.932 3.2604  9577.15    469.435  10460.31   1002.22  9328.93    531.324  138.755 6.6688  131.182 3.7395  7.572922       7.645680  
1 1 1 -1  31  18 o 86.649  2.5347  4068.10    237.880  4258.40    417.981  3976.94    289.302  88.607  4.3553  85.661  3.1182  2.946281       5.356441  
1 1 1 -1  31  19 o 339.067 6.3687  62489.85   2338.87  64435.85   6443.21  62194.52   2510.08  339.794 17.567  338.167 6.8531  1.626495       18.85666  
1 1 1 -1  31  20 o 366.122 6.2970  72901.66   2497.06  80083.97   4994.60  70508.18   2883.26  381.569 12.085  359.772 7.3992  21.79761       14.17050  
1 1 1 -1  31  21 o 25.956  1.6521  366.462    46.203   145.835    365.965  370.036    46.576   23.536  9.4350  26.083  1.6573  -2.546877      9.579490  
1 1 1 -1  31  22 o 108.946 3.1599  6438.39    372.870  5259.82    721.884  6867.25    435.457  97.941  6.8482  112.490 3.5741  -14.54971      7.724750  
1 1 1 -1  31  23 o 99.888  3.9935  5423.05    432.053  6065.13    568.627  4546.04    664.559  105.531 4.9748  90.897  6.7994  14.63330       8.424999  
1 1 1 -1  31  24 o 47.710  5.5267  1260.77    280.302  1304.37    399.555  1218.52    393.331  47.997  7.9651  46.311  8.1386  1.685490       11.38770  
1 1 1 -1  31  25 o 52.680  2.4408  1506.77    139.265  1399.59    495.333  1515.97    145.118  49.090  9.6601  52.835  2.5359  -3.745266      9.987421  
1 1 1 -1  31  26 o 80.890  3.4321  3565.77    300.693  3497.78    607.584  3587.83    346.042  78.987  7.1804  81.059  3.9415  -2.071518      8.191070  
1 1 1 -1  31  27 o 48.820  4.5347  1319.45    237.044  930.608    485.940  1440.86    271.542  39.241  10.994  50.923  4.9873  -11.68133      12.07223  
1 1 1 -1  31  28 o 74.401  3.7050  3031.35    298.568  3288.04    578.903  2938.33    348.494  76.079  7.1077  72.950  4.4316  3.128845       8.376101  
1 1 1 -1  31  29 o 48.761  2.4906  1299.17    131.100  1250.89    145.772  1503.44    299.835  47.782  2.8293  51.647  5.4419  -3.865379      6.133445  
1 1 1 -1  31  30 o 38.615  1.9620  813.526    81.790   602.255    483.759  819.743    82.984   31.670  11.241  38.760  1.9834  -7.089691      11.41504  
1 1 1 -1  31  31 o 63.686  2.7723  2222.36    191.229  2003.41    561.286  2251.11    203.398  56.567  9.4978  64.052  2.9319  -7.485428      9.940044  
1 1 1 -1  31  32 o 40.698  2.6755  914.839    117.280  812.494    127.530  1475.83    298.580  38.212  3.1083  50.270  5.5779  -12.05760      6.385482  
1 1 1 -1  31  33 o 24.525  10.013  349.252    420.790  0.0000     0.0000   349.252    420.790  ?       ?       24.525  10.013  0.000000       10.01284  
1 1 1 -1  31  34 o 36.677  10.993  1086.44    471.198  0.0000     0.0000   1086.44    471.198  ?       ?       36.677  10.993  0.000000       10.99326  
1 1 1 -1  31  35 o 35.616  10.766  1072.92    450.493  0.0000     0.0000   1072.92    450.493  ?       ?       35.616  10.766  0.000000       10.76565  
1 1 1 -1  31  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  32  1  o 459.676 7.6673  114524.90  3817.40  118388.60  5399.00  110662.20  5398.23  467.186 10.670  451.659 11.035  15.52716       15.34969  
1 1 1 -1  32  2  o 513.380 8.4774  142874.80  4713.78  143529.09  6666.58  142220.59  6666.01  514.296 11.968  511.942 12.022  2.354187       16.96345  
1 1 1 -1  32  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  32  4  o 513.897 8.5724  143171.30  4771.46  144156.00  6748.14  142186.91  6747.58  515.389 12.089  511.849 12.171  3.539520       17.15446  
1 1 1 -1  32  5  o 455.371 7.5269  112393.40  3712.37  116928.30  5250.34  107859.30  5249.83  464.284 10.441  445.885 10.871  18.39908       15.07246  
1 1 1 -1  32  6  o 307.608 6.2179  51274.19   2071.61  51490.05   2537.26  50842.54   3587.96  308.209 7.6006  306.123 10.821  2.086151       13.22389  
1 1 1 -1  32  7  o 541.927 9.0146  159260.91  5291.27  163428.30  7483.05  155093.59  7482.91  548.619 12.593  534.409 12.928  14.21051       18.04770  
1 1 1 -1  32  8  o 589.875 11.303  188868.41  7221.62  189378.30  8844.56  187848.50  12508.46 590.333 13.833  586.912 19.677  3.420837       24.05269  
1 1 1 -1  32  9  o 558.942 10.722  169582.91  6490.77  166175.80  11242.87 171286.20  7949.36  551.970 18.806  561.425 13.073  -9.454468      22.90320  
1 1 1 -1  32  10 o 88.159  3.1005  4209.96    296.057  4478.42    372.279  3748.04    488.325  90.922  3.7803  82.983  5.4637  7.939140       6.644024  
1 1 1 -1  32  11 o 311.714 5.4235  52664.95   1831.06  53942.32   2590.52  51389.57   2588.51  315.344 7.5846  307.780 7.7650  7.564331       10.85453  
1 1 1 -1  32  12 f 130.620 3.5435  9243.83    501.321  9561.09    870.531  9086.41    613.211  132.788 6.0528  129.489 4.3723  3.298920       7.466806  
1 1 1 -1  32  13 o 184.708 4.2042  18489.88   841.085  19585.35   1457.66  17943.11   1029.81  189.970 7.0844  181.919 5.2265  8.050934       8.803654  
1 1 1 -1  32  14 o 206.824 3.9779  23184.01   891.105  24202.07   1780.90  22843.99   1029.21  211.078 7.7898  205.273 4.6292  5.805054       9.061460  
1 1 1 -1  32  15 o 133.465 3.1055  9651.91    448.918  9886.72    898.820  9573.87    518.176  134.969 6.1485  132.911 3.5995  2.058060       7.124624  
1 1 1 -1  32  16 o 292.475 6.0563  46438.00   1918.52  47500.38   4785.83  46234.58   2094.14  293.578 15.102  291.764 6.6268  1.813812       16.49206  
1 1 1 -1  32  17 o 92.445  2.9404  4631.08    294.417  5162.23    584.117  4450.18    340.885  97.364  5.5621  90.610  3.4735  6.754379       6.557568  
1 1 1 -1  32  18 o 59.582  2.4260  1923.47    156.557  2487.96    424.942  1834.82    168.402  67.430  5.8772  58.190  2.6719  9.240135       6.456047  
1 1 1 -1  32  19 o 495.041 8.3545  133575.80  4479.50  133505.41  8957.31  133599.30  5172.81  490.075 16.875  494.549 9.6571  -4.474701      19.44291  
1 1 1 -1  32  20 o 60.134  3.5640  1967.88    231.093  2197.04    452.786  1887.16    268.729  63.187  6.7191  58.821  4.2466  4.365360       7.948586  
1 1 1 -1  32  21 o 150.492 3.6080  12286.27   588.103  12355.00   1263.92  12267.27   664.409  150.239 7.7940  150.339 4.0803  -0.1004028     8.797478  
1 1 1 -1  32  22 o 177.869 5.1782  17212.45   997.589  17361.42   1410.34  17063.28   1411.27  178.231 7.3058  176.679 7.3749  1.552261       10.38095  
1 1 1 -1  32  23 o 245.697 6.4542  33018.57   1717.56  34018.56   2429.14  32018.82   2428.85  248.213 9.0356  240.660 9.3181  7.552689       12.97955  
1 1 1 -1  32  24 o 89.683  2.6673  4366.04    259.092  4044.10    448.247  4527.56    317.504  85.949  4.8348  91.278  3.2115  -5.329742      5.804210  
1 1 1 -1  32  25 o 135.415 3.3960  9981.41    498.085  9353.30    984.506  10197.49   577.437  129.828 7.0275  136.763 3.8982  -6.934525      8.036263  
1 1 1 -1  32  26 o 186.057 3.8197  18896.74   769.735  19587.39   1539.69  18666.62   888.771  187.250 7.5918  184.662 4.4437  2.587784       8.796650  
1 1 1 -1  32  27 o 22.441  7.5021  270.417    214.272  175.943    431.159  301.403    246.923  24.847  10.139  23.756  8.0529  1.091217       12.94784  
1 1 1 -1  32  28 o 80.477  2.8914  3532.06    252.033  3661.72    360.331  3407.88    352.649  81.660  4.0740  78.653  4.1543  3.007126       5.818588  
1 1 1 -1  32  29 o 58.699  2.8274  1881.61    179.754  1586.63    220.007  2473.90    311.756  53.590  3.8153  66.800  4.3323  -13.21055      5.772799  
1 1 1 -1  32  30 f 90.394  3.1000  4479.58    303.506  4844.64    674.055  4386.74    339.913  91.667  6.8384  89.298  3.5144  2.368652       7.688590  
1 1 1 -1  32  31 o 68.317  4.0340  2600.93    297.168  2020.13    579.719  2807.94    346.097  56.421  9.8446  70.729  4.5419  -14.30788      10.84177  
1 1 1 -1  32  32 o 54.193  2.7557  1622.04    161.218  1499.14    185.741  1997.49    324.639  51.864  3.3240  58.791  5.1501  -6.927124      6.129677  
1 1 1 -1  32  33 o 16.902  7.9748  -241.1174  380.895  0.0000     0.0000   -241.1174  380.895  ?       ?       16.902  7.9748  0.000000       7.974753  
1 1 1 -1  32  34 o 14.398  2.4929  117.761    37.467   0.0000     0.0000   117.761    37.467   ?       ?       14.398  2.4929  0.000000       2.492891  
1 1 1 -1  32  35 o 52.685  2.8241  1556.64    160.567  0.0000     0.0000   1556.64    160.567  ?       ?       52.685  2.8241  0.000000       2.824131  
1 1 1 -1  33  1  o 491.893 8.2204  131158.00  4379.59  132582.70  6193.99  129733.60  6193.37  494.326 11.569  488.976 11.694  5.350250       16.44961  
1 1 1 -1  33  2  f 784.642 25.969  336618.91  22070.06 336618.91  22070.06 0.0000     0.0000   784.642 25.969  ?       ?       0.000000       25.96940  
1 1 1 -1  33  3  o 370.388 6.2358  74335.99   2501.60  78022.54   3538.51  70652.38   3537.10  379.364 8.6118  360.982 9.0467  18.38223       12.49025  
1 1 1 -1  33  4  f 318.256 5.5285  54877.07   1905.69  54602.56   2695.51  55151.41   2694.61  317.386 7.8412  318.979 7.7994  -1.592712      11.05965  
1 1 1 -1  33  5  o 421.624 7.1323  96345.20   3257.05  98253.59   4606.40  94437.18   4605.94  425.619 9.9924  417.258 10.192  8.360809       14.27297  
1 1 1 -1  33  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  33  7  o 288.089 5.0874  44966.38   1587.41  43986.36   2245.02  45946.26   2244.86  284.866 7.2763  291.149 7.1187  -6.282928      10.17943  
1 1 1 -1  33  8  o 217.351 4.7227  25594.37   1111.79  24566.06   1361.82  27649.49   1925.20  212.914 5.9053  225.824 7.8711  -12.90967      9.840083  
1 1 1 -1  33  9  o 330.198 6.6172  59101.63   2366.58  57520.25   4098.43  59892.67   2898.67  325.430 11.628  332.325 8.0531  -6.895020      14.14403  
1 1 1 -1  33  10 o 224.244 4.7881  27248.24   1162.92  27868.98   1425.93  26015.34   2009.59  226.752 5.8060  218.974 8.4731  7.778290       10.27150  
1 1 1 -1  33  11 o 656.920 10.808  234538.91  7689.86  241257.09  10875.92 227822.80  10874.29 665.136 15.097  646.219 15.536  18.91644       21.66320  
1 1 1 -1  33  12 o 21.492  7.1359  236.859    193.949  236.198    275.451  237.508    273.135  23.196  8.4508  23.175  8.4194  0.2182961E-01  11.92901  
1 1 1 -1  33  13 o 251.470 5.2883  34288.97   1440.36  32710.26   2494.43  35078.66   1764.21  245.284 9.3893  254.275 6.4058  -8.991302      11.36631  
1 1 1 -1  33  14 o 261.428 4.6813  37054.21   1325.53  42988.30   2651.85  35077.77   1530.43  281.191 8.7072  254.301 5.5564  26.88998       10.32903  
1 1 1 -1  33  15 o 284.458 5.0579  43886.92   1558.32  46806.56   3115.60  42912.84   1799.59  293.154 9.8124  281.206 5.9085  11.94803       11.45402  
1 1 1 -1  33  16 o 93.404  2.7586  4727.05    279.073  4375.43    582.611  4831.75    317.918  89.573  6.0405  94.426  3.1085  -4.852547      6.793437  
1 1 1 -1  33  17 o 177.554 3.6064  17089.37   693.540  17822.66   1383.94  16843.46   801.437  181.072 7.0566  176.241 4.1985  4.830994       8.211168  
1 1 1 -1  33  18 o 386.725 7.1824  81342.01   3008.44  83731.02   8406.00  80991.06   3221.84  386.221 20.165  385.763 7.7110  0.4577332      21.58880  
1 1 1 -1  33  19 f 52.163  1.9152  1474.08    108.207  1369.04    164.740  1553.77    143.503  50.165  3.0464  53.548  2.4743  -3.383656      3.924623  
1 1 1 -1  33  20 o 149.807 3.4467  12169.61   559.251  11608.02   1228.73  12316.34   628.077  145.706 7.8144  150.682 3.8484  -4.976730      8.710643  
1 1 1 -1  33  21 o 268.252 4.8407  39095.39   1406.44  36419.17   2809.43  39990.39   1624.68  257.531 10.072  271.171 5.5317  -13.64047      11.49111  
1 1 1 -1  33  22 o 95.083  3.7985  4908.82    391.189  4566.29    500.408  5447.10    627.304  91.474  5.0706  99.817  5.8277  -8.343628      7.724813  
1 1 1 -1  33  23 o 81.802  3.4732  3634.83    307.728  3229.74    546.784  3822.61    372.283  76.519  6.6640  83.838  4.0998  -7.319496      7.824134  
1 1 1 -1  33  24 o 37.249  5.4104  774.371    211.896  1911.38    457.464  463.790    239.091  58.418  7.3957  28.484  7.6065  29.93439       10.60920  
1 1 1 -1  33  25 o 53.457  2.3848  1551.60    138.078  1553.81    159.631  1545.03    275.159  53.400  2.7695  52.913  4.8554  0.4871674      5.589715  
1 1 1 -1  33  26 o 112.953 3.1720  6948.57    388.058  7795.53    725.928  6609.71    459.171  118.917 5.6361  110.017 3.8534  8.900444       6.827472  
1 1 1 -1  33  27 o 54.859  2.5058  1637.00    148.887  1599.27    176.533  1729.97    277.108  54.086  3.0256  55.920  4.6165  -1.834217      5.519651  
1 1 1 -1  33  28 o 104.783 3.1691  5997.49    359.669  5897.33    613.672  6049.90    443.903  102.869 5.5281  105.007 3.9030  -2.138046      6.767101  
1 1 1 -1  33  29 o 21.001  1.7206  241.193    38.793   240.516    39.240   270.397    257.753  20.968  1.7436  22.863  8.1959  -1.894552      8.379332  
1 1 1 -1  33  30 o 59.414  4.2105  1964.69    269.201  2085.88    540.986  1924.80    310.354  58.754  8.7697  58.509  4.9437  0.2445946      10.06716  
1 1 1 -1  33  31 o 16.284  7.0244  10.563     225.613  62.568     460.780  -5.8366    258.751  22.784  9.9321  17.048  7.4368  5.735977       12.40775  
1 1 1 -1  33  32 o 26.643  2.3895  392.665    68.221   368.136    70.344   780.708    279.787  25.751  2.5558  35.128  7.5763  -9.376951      7.995781  
1 1 1 -1  33  33 o 40.952  9.2199  1162.61    399.098  0.0000     0.0000   1162.61    399.098  ?       ?       40.952  9.2199  0.000000       9.219918  
1 1 1 -1  33  34 o 19.963  9.0080  54.203     413.101  0.0000     0.0000   54.203     413.101  ?       ?       19.963  9.0080  0.000000       9.007983  
1 1 1 -1  33  35 o 18.617  8.6324  -33.5692   415.099  0.0000     0.0000   -33.5692   415.099  ?       ?       18.617  8.6324  0.000000       8.632391  
1 1 1 -1  34  1  o 164.411 3.3679  14641.14   599.730  14277.59   848.028  15004.88   848.265  162.343 4.8229  166.428 4.7058  -4.084808      6.738304  
1 1 1 -1  34  2  o 282.653 4.9951  43281.69   1529.20  44524.39   2162.94  42039.74   2162.29  286.632 6.9671  278.514 7.1680  8.118225       9.995981  
1 1 1 -1  34  3  o 619.234 11.828  208089.91  7932.94  207189.00  9715.64  209891.91  13740.80 617.566 14.525  620.631 20.441  -3.065002      25.07635  
1 1 1 -1  34  4  o 430.398 7.2744  100399.30  3391.09  96553.84   4795.88  104244.20  4795.57  421.891 10.495  438.398 10.100  -16.50684      14.56550  
1 1 1 -1  34  5  f 508.975 8.4860  140452.00  4678.08  137380.70  6615.82  143523.20  6615.79  503.080 12.142  514.229 11.878  -11.14951      16.98568  
1 1 1 -1  34  6  o 760.735 25.223  316739.19  20782.48 316739.19  20782.48 0.0000     0.0000   760.735 25.223  ?       ?       0.000000       25.22282  
1 1 1 -1  34  7  o 803.834 18.735  352125.91  16311.52 352125.91  16311.52 0.0000     0.0000   803.834 18.735  ?       ?       0.000000       18.73519  
1 1 1 -1  34  8  o 51.733  2.7197  1453.61    151.859  1559.42    219.545  1356.54    210.277  53.518  3.8124  49.887  3.9233  3.631081       5.470544  
1 1 1 -1  34  9  o 509.065 12.037  140813.59  6636.70  142502.20  9386.46  139125.50  9384.97  511.267 16.951  505.133 17.154  6.133972       24.11578  
1 1 1 -1  34  10 o 438.703 8.5358  104435.80  4055.86  106468.00  4968.12  100375.20  7022.92  442.742 10.360  429.177 15.108  13.56467       18.31915  
1 1 1 -1  34  11 o 289.866 5.9205  45554.21   1858.76  49191.60   3219.73  43735.98   2276.41  300.912 9.8789  283.932 7.4023  16.98007       12.34453  
1 1 1 -1  34  12 o 210.135 5.6682  23943.30   1290.06  24313.43   1823.77  23572.64   1825.08  211.624 7.9567  208.367 8.0869  3.257355       11.34495  
1 1 1 -1  34  13 o 58.056  3.5403  1833.19    221.557  1976.96    381.783  1760.19    272.054  60.077  5.9453  56.810  4.4571  3.267200       7.430526  
1 1 1 -1  34  14 o 125.228 2.9933  8496.76    405.996  9096.67    816.465  8299.69    467.953  129.487 5.8216  123.757 3.4911  5.730484       6.788115  
1 1 1 -1  34  15 o 176.582 3.6007  16899.77   688.662  17899.72   1376.81  16566.12   795.296  181.530 7.0026  174.805 4.2005  6.724609       8.165810  
1 1 1 -1  34  16 o 50.508  3.4140  1388.98    185.667  1756.15    365.812  1261.58    215.485  56.551  6.0671  48.055  4.1818  8.496387       7.368682  
1 1 1 -1  34  17 o 141.536 3.2245  10857.21   494.302  12734.93   985.929  10226.76   571.288  153.141 5.9441  137.342 3.8404  15.79881       7.076794  
1 1 1 -1  34  18 o 234.472 4.3629  29821.10   1107.99  31833.34   2213.93  29148.69   1279.79  241.717 8.4564  231.745 5.0987  9.971893       9.874571  
1 1 1 -1  34  19 o 184.373 3.8648  18436.22   771.791  19561.43   1467.26  18005.80   907.477  189.581 7.1457  182.153 4.5997  7.428223       8.498112  
1 1 1 -1  34  20 o 112.946 3.1618  6916.37    386.794  6350.78    758.809  7114.92    449.588  107.834 6.5276  114.535 3.6241  -6.700974      7.466224  
1 1 1 -1  34  21 o 105.705 4.3518  6067.51    498.232  6264.02    703.042  5869.25    706.180  107.095 6.0861  103.619 6.3225  3.476074       8.775808  
1 1 1 -1  34  22 o 68.566  4.6163  2567.76    340.827  2720.01    480.530  2413.64    483.489  70.316  6.3789  66.121  6.8506  4.195946       9.360600  
1 1 1 -1  34  23 o 69.937  3.3284  2656.62    252.123  2254.17    485.751  2805.01    294.966  63.702  7.1646  71.732  3.8102  -8.030087      8.114800  
1 1 1 -1  34  24 o 159.509 3.4803  13839.55   601.267  15142.46   1219.01  13420.65   691.198  165.832 6.7868  156.951 4.0660  8.881058       7.911603  
1 1 1 -1  34  25 o 71.005  3.6430  2754.56    279.226  4103.77    554.539  2296.28    323.187  86.128  5.9816  64.625  4.6483  21.50234       7.575393  
1 1 1 -1  34  26 o 101.433 3.0314  5601.56    333.032  6172.07    580.023  5320.98    406.763  105.973 5.0533  98.709  3.8046  7.264305       6.325473  
1 1 1 -1  34  27 f 50.706  1.5180  1394.69    83.370   1686.21    146.762  1255.80    101.301  55.682  2.4335  48.090  1.9449  7.592426       3.115178  
1 1 1 -1  34  28 o 54.483  1.9720  1613.06    116.370  1442.67    173.881  1751.29    156.615  51.296  3.1449  56.704  2.5501  -5.408268      4.048827  
1 1 1 -1  34  29 o 48.555  2.1812  1283.40    114.710  995.654    491.734  1299.96    117.965  39.615  11.045  48.862  2.2290  -9.246731      11.26796  
1 1 1 -1  34  30 o 88.988  3.0513  4340.78    294.098  4187.52    666.682  4377.81    327.707  84.748  7.3354  89.241  3.3904  -4.493118      8.081058  
1 1 1 -1  34  31 o 24.224  7.7797  350.553    231.465  274.357    472.353  374.631    265.530  25.625  10.552  25.053  8.3510  0.5725193      13.45685  
1 1 1 -1  34  32 o 12.703  3.5159  92.849     50.018   75.182     50.882   599.615    272.517  11.617  3.6378  30.305  8.1329  -18.68751      8.909385  
1 1 1 -1  34  33 o 18.483  8.3348  -17.7686   353.055  0.0000     0.0000   -17.7686   353.055  ?       ?       18.483  8.3348  0.000000       8.334819  
1 1 1 -1  34  34 o 27.236  10.119  569.149    398.168  0.0000     0.0000   569.149    398.168  ?       ?       27.236  10.119  0.000000       10.11948  
1 1 1 -1  34  35 o 30.530  13.155  1121.82    789.449  0.0000     0.0000   1121.82    789.449  ?       ?       30.530  13.155  0.000000       13.15468  
1 1 1 -1  35  1  o 131.210 2.9827  9324.55    423.889  9584.50    599.417  9064.52    599.522  133.018 4.1605  129.358 4.2790  3.659561       5.968239  
1 1 1 -1  35  2  o 351.712 6.0512  67027.59   2305.17  64368.30   3260.13  69686.45   3259.86  344.563 8.7357  358.530 8.3947  -13.96719      12.11539  
1 1 1 -1  35  3  o 613.511 14.306  204473.50  9506.14  211102.00  13444.91 197847.41  13442.50 622.464 19.942  602.484 20.600  19.97986       28.67137  
1 1 1 -1  35  4  o 246.417 4.4617  32894.15   1190.81  32182.07   1684.24  33605.92   1683.88  243.696 6.3810  249.032 6.2429  -5.336044      8.926944  
1 1 1 -1  35  5  f 463.415 7.7521  116415.00  3890.97  121643.10  5503.06  111188.40  5502.25  473.493 10.731  452.649 11.223  20.84445       15.52737  
1 1 1 -1  35  6  o 553.449 9.1793  166123.30  5502.45  165393.70  7781.65  166852.80  7781.62  551.824 13.020  554.260 12.962  -2.435852      18.37219  
1 1 1 -1  35  7  o 56.208  2.6043  1711.18    158.548  1607.11    222.934  1817.68    225.531  54.335  3.8123  57.814  3.6199  -3.479450      5.257115  
1 1 1 -1  35  8  o 773.885 18.071  326589.81  15146.71 327368.69  21420.90 325810.91  21420.46 772.122 25.614  770.257 25.676  1.864746       36.26751  
1 1 1 -1  35  9  o 395.970 9.5368  85104.13   4090.11  84373.39   5784.35  85834.84   5784.22  393.810 13.561  397.222 13.444  -3.411530      19.09601  
1 1 1 -1  35  10 o 413.737 7.0064  92834.95   3139.73  94801.63   4440.74  90869.15   4439.75  417.809 9.8131  409.027 10.022  8.782043       14.02603  
1 1 1 -1  35  11 o 312.886 6.2757  53088.81   2126.77  56832.86   3684.64  51218.27   2604.40  323.333 10.521  307.208 7.8272  16.12469       13.11355  
1 1 1 -1  35  12 o 203.107 4.5570  22359.59   1002.47  22938.84   1229.03  21208.18   1732.77  205.680 5.5170  197.625 8.0952  8.054718       9.796417  
1 1 1 -1  35  13 o 149.419 3.2704  12097.04   529.263  11954.16   748.795  12239.70   748.189  148.494 4.6557  150.259 4.5973  -1.765015      6.542952  
1 1 1 -1  35  14 o 163.026 3.4132  14402.39   602.690  16418.27   1206.50  13732.10   695.710  173.921 6.4048  159.167 4.0356  14.75414       7.570163  
1 1 1 -1  35  15 o 113.995 2.9100  7041.17    359.296  7614.12    723.074  6853.32    414.027  118.455 5.6359  112.453 3.3993  6.001701       6.581648  
1 1 1 -1  35  16 o 403.117 6.8794  88298.93   3003.67  96482.88   6007.06  85570.61   3468.39  419.501 13.221  396.590 8.0745  22.91132       15.49154  
1 1 1 -1  35  17 o 173.183 3.5545  16258.44   666.742  17357.33   1334.34  15892.78   769.722  178.696 6.8942  171.193 4.1512  7.502762       8.047496  
1 1 1 -1  35  18 o 411.270 7.0006  91988.80   3118.40  97377.71   6236.88  90192.55   3600.80  420.639 13.689  406.923 8.1699  13.71597       15.94207  
1 1 1 -1  35  19 o 217.800 4.1567  25734.41   980.555  26764.04   1958.02  25389.76   1132.84  221.564 8.1592  216.270 4.8362  5.293930       9.484797  
1 1 1 -1  35  20 o 70.620  4.5782  2718.83    348.293  3182.01    490.800  2248.94    494.340  76.259  5.9903  63.836  7.2799  12.42318       9.427714  
1 1 1 -1  35  21 o 159.299 5.2847  13800.17   911.815  13757.10   1416.89  13830.61   1191.27  158.359 8.2896  159.240 6.9069  -0.8808594     10.78996  
1 1 1 -1  35  22 f 102.154 2.9068  5660.92    321.614  5000.02    666.793  5861.28    367.143  95.468  6.4870  103.923 3.2618  -8.454742      7.260920  
1 1 1 -1  35  23 o 22.556  2.0048  278.016    48.468   262.539    49.708   576.808    218.406  21.902  2.1220  31.879  6.5446  -9.977076      6.880075  
1 1 1 -1  35  24 o 35.361  5.4497  700.268    202.016  1038.89    455.869  617.521    225.352  42.174  10.111  32.942  6.5466  9.231716       12.04540  
1 1 1 -1  35  25 o 77.435  2.8010  3259.68    234.919  3291.55    582.717  3253.50    256.704  76.723  7.0926  77.333  3.0648  -0.6092606     7.726395  
1 1 1 -1  35  26 o 41.906  1.9323  953.173    87.704   576.969    452.532  967.856    89.399   32.231  10.902  42.227  1.9547  -9.995579      11.07573  
1 1 1 -1  35  27 o 15.113  6.6158  -36.7932   206.355  111.423    418.875  -84.2920   237.126  23.592  9.8448  15.509  6.9247  8.083571       12.03628  
1 1 1 -1  35  28 o 60.669  3.9754  2030.11    259.779  1881.61    528.202  2077.50    298.357  56.391  8.9469  61.211  4.5325  -4.819881      10.02947  
1 1 1 -1  35  29 o 65.868  3.8536  2396.14    273.729  1724.27    556.995  2610.07    314.301  52.873  10.095  68.613  4.2502  -15.74043      10.95281  
1 1 1 -1  35  30 o 39.814  5.8853  914.087    246.142  1221.99    491.183  810.837    284.433  43.672  10.511  36.840  7.3855  6.832134       12.84620  
1 1 1 -1  35  31 o 53.774  4.6298  1635.46    267.027  1848.61    528.171  1562.27    309.494  53.953  9.3787  52.059  5.5756  1.893909       10.91089  
1 1 1 -1  35  32 o 74.489  4.4890  3171.40    360.477  0.0000     0.0000   3171.40    360.477  ?       ?       74.489  4.4890  0.000000       4.489017  
1 1 1 -1  35  33 o 35.929  9.9471  945.379    400.292  0.0000     0.0000   945.379    400.292  ?       ?       35.929  9.9471  0.000000       9.947122  
1 1 1 -1  35  34 o 37.971  2.4330  800.679    99.535   0.0000     0.0000   800.679    99.535   ?       ?       37.971  2.4330  0.000000       2.433046  
1 1 1 -1  35  35 o 24.018  11.236  290.364    728.383  0.0000     0.0000   290.364    728.383  ?       ?       24.018  11.236  0.000000       11.23579  
1 1 1 -1  36  1  o 190.382 3.6805  19632.75   758.940  20555.04   1073.64  18711.62   1072.96  194.784 5.0890  185.841 5.3306  8.942978       7.369749  
1 1 1 -1  36  2  o 509.528 8.3379  140747.20  4601.46  147476.00  6508.16  134021.30  6506.73  521.313 11.526  496.913 12.090  24.39990       16.70372  
1 1 1 -1  36  3  o 277.502 4.9419  41719.59   1485.35  41856.54   2100.67  41582.67   2100.53  277.904 6.9790  276.993 7.0015  0.9113464      9.885682  
1 1 1 -1  36  4  o 161.708 3.3249  14163.94   582.354  14227.21   824.078  14100.82   823.069  162.055 4.6950  161.333 4.7102  0.7215576      6.650517  
1 1 1 -1  36  5  o 488.117 8.1465  129175.50  4306.91  133313.00  6091.38  125039.20  6090.39  495.610 11.348  479.949 11.716  15.66058       16.31054  
1 1 1 -1  36  6  o 475.840 7.9284  122760.50  4086.18  122026.10  5778.75  123494.80  5778.70  474.141 11.253  476.992 11.185  -2.851440      15.86615  
1 1 1 -1  36  7  o 1023.88 34.172  581005.31  37895.78 0.0000     0.0000   581005.31  37895.78 ?       ?       1023.88 34.172  0.000000       34.17197  
1 1 1 -1  36  8  o 631.869 14.824  217312.20  10145.12 220563.09  14347.30 214061.30  14347.43 635.014 20.860  625.489 21.178  9.524719       29.72625  
1 1 1 -1  36  9  o 366.179 7.2584  72717.50   2878.77  73520.44   3525.73  71111.55   4986.24  368.070 8.8440  361.586 12.732  6.484406       15.50215  
1 1 1 -1  36  10 o 241.619 4.4094  31634.68   1153.93  31539.78   1633.80  31729.15   1630.00  241.182 6.2544  241.907 6.2211  -0.7245483     8.821547  
1 1 1 -1  36  11 o 521.955 10.035  148087.50  5672.93  153116.91  9825.97  145572.91  6947.83  528.864 17.154  516.998 12.408  11.86584       21.17086  
1 1 1 -1  36  12 o 301.343 6.1444  49258.68   2005.43  49967.56   2456.35  47841.63   3472.91  303.383 7.4753  296.463 10.816  6.920654       13.14758  
1 1 1 -1  36  13 o 66.878  2.8579  2423.16    207.012  2430.73    296.043  2415.92    289.583  66.841  4.1091  66.642  4.0309  0.1990128      5.756117  
1 1 1 -1  36  14 o 104.912 2.8689  5963.42    325.990  5314.73    653.204  6178.57    376.185  98.770  6.1363  106.781 3.2527  -8.011147      6.945099  
1 1 1 -1  36  15 o 172.817 4.0278  16190.95   753.919  19196.54   1724.25  15480.51   838.300  187.837 8.4752  168.957 4.5809  18.87956       9.633988  
1 1 1 -1  36  16 o 326.889 5.7066  58004.27   2020.47  59165.04   4040.20  57617.15   2333.17  329.009 11.338  325.665 6.6146  3.344025       13.12618  
1 1 1 -1  36  17 o 250.709 4.5755  34096.09   1242.46  37445.22   2485.66  32980.59   1434.53  262.154 8.7541  246.496 5.3732  15.65799       10.27161  
1 1 1 -1  36  18 o 260.573 4.7378  36844.14   1337.14  36486.95   2671.27  36963.57   1544.58  258.520 9.5401  260.909 5.4658  -2.388885      10.99489  
1 1 1 -1  36  19 o 51.257  5.2788  1441.99    288.872  1337.64    403.929  1551.22    413.285  48.934  7.8896  52.860  7.4231  -3.926846      10.83275  
1 1 1 -1  36  20 o 61.513  2.8494  2051.20    189.838  1933.13    448.078  2077.03    209.577  59.138  7.1399  61.813  3.1407  -2.674175      7.800138  
1 1 1 -1  36  21 o 90.842  4.3070  4482.12    423.773  4792.66    597.488  4167.77    601.141  93.631  5.9222  87.214  6.4087  6.417015       8.726050  
1 1 1 -1  36  22 o 58.430  3.4778  1860.19    219.100  1693.68    434.290  1917.03    253.760  55.111  7.4679  59.264  3.9763  -4.153084      8.460588  
1 1 1 -1  36  23 o 87.096  3.1226  4119.81    294.570  3308.70    566.702  4420.10    344.812  77.345  6.8351  90.178  3.5303  -12.83311      7.692972  
1 1 1 -1  36  24 o 213.787 4.4346  24946.21   1026.85  26410.53   1937.55  24374.29   1210.88  217.919 8.2089  210.970 5.2992  6.948807       9.770767  
1 1 1 -1  36  25 o 58.871  4.0097  1900.53    254.148  1758.92    505.078  1948.54    294.093  55.358  8.7116  59.498  4.5994  -4.139889      9.851239  
1 1 1 -1  36  26 o 50.809  4.3182  1424.03    235.386  948.842    482.268  1572.62    269.691  39.747  10.883  53.322  4.7185  -13.57509      11.86222  
1 1 1 -1  36  27 o 58.151  3.9413  1860.84    246.772  1877.42    514.844  1855.90    281.176  56.773  8.6458  57.931  4.5169  -1.158363      9.754584  
1 1 1 -1  36  28 o 108.396 3.2158  6424.35    377.547  6848.79    780.261  6294.60    431.413  110.092 6.5735  107.124 3.7182  2.968124       7.552254  
1 1 1 -1  36  29 o 59.543  4.0632  1964.81    260.474  1997.82    533.513  1954.49    298.463  57.743  8.8096  59.160  4.6965  -1.417679      9.983263  
1 1 1 -1  36  30 o 21.834  7.6266  258.736    221.993  516.849    456.858  178.956    253.995  29.821  10.880  20.507  7.9706  9.314754       13.48761  
1 1 1 -1  36  31 o 16.018  6.9156  12.299     219.074  215.664    457.228  -48.2990   249.588  24.388  10.239  16.018  7.1317  8.370358       12.47789  
1 1 1 -1  36  32 o 11.280  5.5869  -522.2432  255.462  0.0000     0.0000   -522.2432  255.462  ?       ?       11.280  5.5869  0.000000       5.586888  
1 1 1 -1  36  33 o 26.190  9.8918  475.699    383.632  0.0000     0.0000   475.699    383.632  ?       ?       26.190  9.8918  0.000000       9.891825  
1 1 1 -1  36  34 o 29.517  9.8875  678.135    372.205  0.0000     0.0000   678.135    372.205  ?       ?       29.517  9.8875  0.000000       9.887543  
1 1 1 -1  36  35 o 17.163  8.4679  -638.3080  567.128  0.0000     0.0000   -638.3080  567.128  ?       ?       17.163  8.4679  0.000000       8.467920  
1 1 1 -1  37  1  o 505.401 8.3703  138480.91  4581.89  144347.80  6480.38  132616.30  6479.17  515.735 11.601  494.287 12.102  21.44766       16.76470  
1 1 1 -1  37  2  o 707.101 13.439  271550.50  10292.16 262586.91  12605.04 289479.69  17827.20 694.781 16.750  728.163 22.604  -33.38220      28.13388  
1 1 1 -1  37  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  37  4  o 760.302 25.213  316420.41  20762.97 316420.41  20762.97 0.0000     0.0000   760.302 25.213  ?       ?       0.000000       25.21349  
1 1 1 -1  37  5  o 145.608 3.1360  11483.80   494.569  11624.89   700.968  11343.95   697.895  146.487 4.4180  144.706 4.4528  1.781357       6.272685  
1 1 1 -1  37  6  f 442.725 7.4119  106259.40  3554.13  108166.60  5026.50  104352.60  5026.10  446.453 10.395  438.495 10.583  7.958130       14.83400  
1 1 1 -1  37  7  f 229.968 4.8651  28654.77   1211.80  29681.07   1486.19  26618.98   2093.17  234.023 5.8634  221.523 8.7240  12.49985       10.51126  
1 1 1 -1  37  8  o 68.001  2.5640  2504.64    188.841  2506.44    382.642  2504.05    217.125  67.805  5.2512  67.992  2.9484  -0.1867447     6.022334  
1 1 1 -1  37  9  o 729.203 13.908  289553.81  10984.43 292686.59  13453.10 283288.31  19025.64 732.156 16.965  717.142 24.494  15.01428       29.79549  
1 1 1 -1  37  10 o 469.356 7.8615  119546.00  3996.46  122861.60  5652.59  116232.00  5651.10  475.357 10.979  462.302 11.286  13.05511       15.74506  
1 1 1 -1  37  11 o 201.584 4.4390  22023.55   969.187  24601.09   1680.48  20738.91   1186.37  212.914 7.2872  195.571 5.6007  17.34251       9.190828  
1 1 1 -1  37  12 o 304.464 6.2303  50291.04   2054.54  49357.62   2516.87  52155.28   3556.93  301.482 7.7078  309.529 10.610  -8.047058      13.11398  
1 1 1 -1  37  13 o 492.496 8.2346  131819.80  4392.51  131182.70  6212.34  132456.80  6211.56  490.425 11.695  492.818 11.637  -2.393250      16.49857  
1 1 1 -1  37  14 o 339.050 5.8614  62381.33   2152.45  67388.47   4305.91  60713.32   2485.24  351.420 11.313  334.360 6.8625  17.05984       13.23149  
1 1 1 -1  37  15 o 539.106 9.7495  158389.00  5692.79  168464.80  10526.45 154224.00  6767.90  552.083 17.604  531.211 11.763  20.87280       21.17220  
1 1 1 -1  37  16 o 421.640 7.1409  96638.24   3261.10  103465.90  6522.83  94362.91   3765.48  434.036 13.875  416.361 8.3499  17.67526       16.19389  
1 1 1 -1  37  17 o 66.487  3.1808  2395.93    229.059  2372.57    449.122  2404.15    266.296  65.774  6.3847  66.488  3.7127  -0.7135925     7.385735  
1 1 1 -1  37  18 o 180.274 3.6476  17621.20   712.213  15069.16   1418.16  18481.96   823.609  166.340 7.8715  184.594 4.1194  -18.25397      8.884278  
1 1 1 -1  37  19 o 80.863  4.3613  3558.55    380.560  3976.17    534.261  3128.41    542.214  85.337  5.8149  75.532  6.6973  9.804878       8.869424  
1 1 1 -1  37  20 o 76.376  4.4619  3177.97    367.497  3138.43    516.473  3218.53    523.026  75.665  6.3611  76.631  6.3590  -0.9666672     8.994476  
1 1 1 -1  37  21 o 87.127  3.0344  4117.30    286.354  4356.58    569.215  4036.23    331.334  89.239  5.9228  86.241  3.5472  2.997993       6.903744  
1 1 1 -1  37  22 o 244.175 4.8263  32459.43   1276.39  32707.99   3328.43  32416.58   1382.05  241.000 12.797  243.901 5.2317  -2.900696      13.82516  
1 1 1 -1  37  23 o 124.266 3.1146  8388.02    419.207  7436.26    834.182  8709.59    484.881  116.199 6.6558  126.571 3.5370  -10.37224      7.537247  
1 1 1 -1  37  24 o 119.150 3.1606  7720.21    407.877  7557.61    784.340  7780.49    477.523  117.043 6.2093  119.525 3.6886  -2.482178      7.222300  
1 1 1 -1  37  25 o 41.308  5.0324  949.288    220.504  499.414    456.361  1086.30    251.854  30.964  10.926  44.151  5.3778  -13.18766      12.17791  
1 1 1 -1  37  26 o 37.160  5.8017  780.886    225.875  800.169    451.342  774.442    260.897  36.645  10.702  36.733  6.8082  -0.8778381E-01 12.68445  
1 1 1 -1  37  27 o 14.326  6.4643  -100.3726  212.769  -441.7869  422.247  15.819     246.328  17.637  8.3445  17.436  7.4264  0.2010155      11.17060  
1 1 1 -1  37  28 f 75.002  2.8969  3070.99    235.332  3226.76    590.875  3041.62    256.558  74.953  7.3739  74.583  3.1760  0.3702545      8.028760  
1 1 1 -1  37  29 o 20.613  1.4932  231.900    33.111   17.760     449.939  233.066    33.202   22.547  9.8221  20.665  1.4935  1.882166       9.935013  
1 1 1 -1  37  30 o 35.620  1.5291  689.352    58.994   38.042     464.759  700.018    59.475   22.844  9.9661  35.894  1.5298  -13.05073      10.08281  
1 1 1 -1  37  31 o 15.819  1.7145  137.863    28.905   69.432     457.206  138.137    28.963   22.432  9.8330  15.834  1.7162  6.597882       9.981659  
1 1 1 -1  37  32 o 18.693  7.7635  124.187    258.733  0.0000     0.0000   124.187    258.733  ?       ?       18.693  7.7635  0.000000       7.763535  
1 1 1 -1  37  33 o 23.102  9.2366  315.896    349.708  0.0000     0.0000   315.896    349.708  ?       ?       23.102  9.2366  0.000000       9.236568  
1 1 1 -1  37  34 o 44.874  8.3917  1393.10    392.873  0.0000     0.0000   1393.10    392.873  ?       ?       44.874  8.3917  0.000000       8.391717  
1 1 1 -1  37  35 o 30.195  12.152  931.334    609.591  0.0000     0.0000   931.334    609.591  ?       ?       30.195  12.152  0.000000       12.15155  
1 1 1 -1  38  1  o 125.517 2.9103  8533.10    395.655  9007.61    560.005  8060.16    559.078  128.952 4.0095  121.980 4.2317  6.972031       5.829547  
1 1 1 -1  38  2  o 483.948 8.1082  126973.10  4250.07  127805.20  6010.88  126141.20  6010.13  485.270 11.436  482.094 11.510  3.176300       16.22568  
1 1 1 -1  38  3  o 103.599 2.7075  5813.06    303.803  5586.81    430.258  6038.01    429.030  101.556 3.9116  105.578 3.7518  -4.022430      5.420028  
1 1 1 -1  38  4  o 390.248 6.6457  82539.28   2808.99  83542.73   3972.80  81536.12   3972.22  392.463 9.3460  387.713 9.4592  4.749207       13.29753  
1 1 1 -1  38  5  o 373.187 6.3997  75479.43   2586.76  73073.55   3658.33  77885.05   3658.14  367.040 9.2023  378.950 8.9127  -11.90985      12.81090  
1 1 1 -1  38  6  o 276.663 4.9160  41472.54   1473.11  41518.69   2083.47  41426.40   2083.11  276.748 6.9508  276.440 6.9573  0.3079834      9.834495  
1 1 1 -1  38  7  o 394.774 6.7104  84487.91   2869.22  83690.88   4058.30  85284.48   4057.09  392.696 9.5415  396.425 9.4489  -3.729279      13.42844  
1 1 1 -1  38  8  o 439.284 10.487  104809.90  4989.63  107702.20  7056.67  101918.00  7056.14  444.686 14.651  432.510 15.063  12.17599       21.01294  
1 1 1 -1  38  9  o 472.432 7.8945  121099.90  4039.58  124094.60  5713.44  118106.50  5712.22  477.804 11.040  466.090 11.315  11.71420       15.80891  
1 1 1 -1  38  10 o 35.715  4.2767  701.122    162.143  743.731    262.675  674.893    206.094  36.428  6.9104  34.837  5.6560  1.590919       8.929980  
1 1 1 -1  38  11 o 252.549 6.5070  34601.99   1779.92  35522.57   2515.76  33679.33   2518.60  255.672 9.0848  248.926 9.3416  6.746262       13.03067  
1 1 1 -1  38  12 o 58.319  3.5428  1849.78    222.720  1926.26    277.271  1710.69    373.922  59.455  4.3356  55.798  6.2974  3.657539       7.645544  
1 1 1 -1  38  13 o 326.339 5.7041  57775.07   2016.18  58878.46   2852.41  56673.39   2850.20  329.162 8.0008  322.918 8.1492  6.243378       11.42023  
1 1 1 -1  38  14 o 113.226 3.3754  6947.60    413.938  7796.63    717.504  6524.05    506.776  119.874 5.5262  109.697 4.2653  10.17690       6.980836  
1 1 1 -1  38  15 o 176.761 3.5607  16935.11   681.690  17492.86   1365.02  16749.79   786.833  179.423 7.0241  175.764 4.1332  3.658600       8.149894  
1 1 1 -1  38  16 o 217.275 4.1301  25598.54   971.955  26956.91   1942.42  25144.82   1122.60  222.567 8.0577  215.292 4.8143  7.275391       9.386355  
1 1 1 -1  38  17 o 470.103 7.9277  120300.20  4036.55  128673.70  8072.49  117508.50  4661.12  482.732 15.439  464.177 9.2712  18.55499       18.00919  
1 1 1 -1  38  18 o 283.993 7.1947  43891.18   2213.06  44726.59   3128.42  43054.36   3131.07  286.007 10.099  280.555 10.304  5.452515       14.42778  
1 1 1 -1  38  19 o 140.731 4.7476  10751.91   723.653  10015.58   1075.84  11360.35   977.951  135.397 7.3639  144.529 6.2473  -9.131882      9.656876  
1 1 1 -1  38  20 o 203.339 3.9729  22439.07   874.971  22451.12   1746.23  22435.03   1011.05  202.748 7.9520  203.248 4.5928  -0.5001678     9.182981  
1 1 1 -1  38  21 o 136.313 3.3815  10083.00   499.257  10017.26   1046.06  10102.40   568.141  135.210 7.1686  136.404 3.8455  -1.194000      8.134903  
1 1 1 -1  38  22 o 192.469 3.8342  20132.64   799.304  19262.38   1589.91  20426.99   924.649  187.214 7.8409  193.762 4.4059  -6.547470      8.993970  
1 1 1 -1  38  23 o 38.054  2.1328  787.848    87.552   1185.05    368.383  764.069    90.134   45.743  7.7096  37.465  2.2314  8.277855       8.026011  
1 1 1 -1  38  24 o 56.878  3.9236  1771.82    240.234  1527.32    487.165  1850.38    276.144  51.522  9.0608  58.045  4.4258  -6.522655      10.08388  
1 1 1 -1  38  25 o 64.525  3.7723  2279.19    262.488  1751.37    518.883  2460.72    304.296  55.082  9.0090  66.967  4.2169  -11.88525      9.947042  
1 1 1 -1  38  26 o 43.871  2.2449  1048.47    106.311  1060.07    464.101  1047.82    109.215  42.019  10.282  43.850  2.3077  -1.830540      10.53732  
1 1 1 -1  38  27 o 75.418  3.5091  3110.36    286.643  3379.68    580.918  3023.68    329.556  77.223  7.0222  74.114  4.1217  3.108681       8.142427  
1 1 1 -1  38  28 o 110.008 3.3307  6625.54    396.853  6390.06    787.299  6705.75    459.500  105.970 6.8970  110.474 3.8402  -4.504333      7.894000  
1 1 1 -1  38  29 o 53.584  4.3654  1600.31    251.152  1102.32    511.695  1758.35    288.263  41.353  11.164  56.023  4.7969  -14.67022      12.15082  
1 1 1 -1  38  30 o 24.656  7.5854  361.343    222.337  546.835    458.794  304.410    254.177  30.200  10.921  23.367  8.1608  6.832653       13.63333  
1 1 1 -1  38  31 o 13.090  6.1493  -192.8363  222.116  291.366    444.757  -353.7304  256.377  25.004  10.261  12.712  6.1425  12.29160       11.95907  
1 1 1 -1  38  32 o 26.436  9.7890  464.857    371.961  0.0000     0.0000   464.857    371.961  ?       ?       26.436  9.7890  0.000000       9.789001  
1 1 1 -1  38  33 o 18.857  8.3915  37.085     345.088  0.0000     0.0000   37.085     345.088  ?       ?       18.857  8.3915  0.000000       8.391493  
1 1 1 -1  38  34 o 36.242  1.4968  717.389    58.755   0.0000     0.0000   717.389    58.755   ?       ?       36.242  1.4968  0.000000       1.496787  
1 1 1 -1  38  35 o 30.831  12.214  977.711    606.250  0.0000     0.0000   977.711    606.250  ?       ?       30.831  12.214  0.000000       12.21422  
1 1 1 -1  39  1  o 175.560 3.4801  16694.88   661.749  17062.59   936.834  16328.70   934.877  177.466 4.8739  173.606 4.9719  3.859955       6.962372  
1 1 1 -1  39  2  o 80.759  2.5959  3532.42    227.061  3782.27    320.770  3281.51    321.457  83.562  3.5442  77.833  3.8132  5.729294       5.205933  
1 1 1 -1  39  3  o 108.397 2.7477  6364.08    322.591  6162.84    455.524  6566.54    456.903  106.662 3.9430  110.101 3.8314  -3.438927      5.497963  
1 1 1 -1  39  4  o 327.887 5.7093  58257.79   2027.57  57285.27   2867.84  59229.73   2867.01  325.035 8.1462  330.513 8.0089  -5.477264      11.42376  
1 1 1 -1  39  5  o 606.331 10.021  199501.09  6581.12  194624.09  9307.21  204377.91  9307.02  598.232 14.364  613.101 14.016  -14.86859      20.06896  
1 1 1 -1  39  6  o 367.324 7.2318  73156.22   2877.19  72270.19   3523.66  74928.78   4983.90  364.982 8.9136  371.325 12.392  -6.343201      15.26488  
1 1 1 -1  39  7  o 273.596 5.6253  40570.34   1666.98  37790.96   2886.12  41961.71   2042.04  263.823 10.100  278.198 6.7770  -14.37451      12.16316  
1 1 1 -1  39  8  o 334.919 6.6444  60822.93   2410.27  61896.02   2952.88  58680.70   4172.14  337.759 8.0717  328.531 11.725  9.228546       14.23476  
1 1 1 -1  39  9  o 179.953 3.5758  17544.41   696.949  17555.27   988.691  17533.69   982.607  179.970 5.0721  179.861 5.0440  0.1098328      7.153195  
1 1 1 -1  39  10 o 170.392 4.0189  15732.84   741.699  15280.18   1282.28  15960.43   909.236  167.816 7.0547  171.595 4.8922  -3.779205      8.585039  
1 1 1 -1  39  11 o 235.170 5.0821  29984.72   1294.48  28194.53   1585.59  33562.59   2241.58  227.964 6.4218  248.566 8.3261  -20.60197      10.51494  
1 1 1 -1  39  12 o 52.919  2.0467  1516.86    117.309  1419.18    243.730  1546.32    133.830  50.972  4.4597  53.428  2.3127  -2.456402      5.023639  
1 1 1 -1  39  13 f 330.345 6.2959  59229.59   2252.65  60358.22   2961.96  57681.21   3469.30  333.219 8.2069  325.478 9.8412  7.741058       12.81418  
1 1 1 -1  39  14 o 212.459 4.6553  24478.54   1071.26  25648.63   1850.18  23888.46   1313.90  217.203 7.8646  209.805 5.7820  7.397751       9.761339  
1 1 1 -1  39  15 o 300.842 5.2780  49108.84   1719.79  53451.63   3439.28  47660.91   1985.90  313.047 10.143  296.267 6.1888  16.78067       11.88239  
1 1 1 -1  39  16 o 186.059 3.7178  18767.18   749.207  18918.99   1496.93  18716.44   865.396  186.517 7.4099  185.774 4.3009  0.7432404      8.567636  
1 1 1 -1  39  17 o 257.063 9.4249  36055.53   2624.13  38212.31   3711.08  33898.73   3711.09  263.757 12.991  247.809 13.882  15.94765       19.01250  
1 1 1 -1  39  18 o 214.382 6.5005  24992.50   1509.41  25571.72   1880.60  23943.77   2530.50  216.620 8.0154  208.693 11.237  7.927765       13.80243  
1 1 1 -1  39  19 o 112.529 3.5382  6867.24    431.232  6727.96    743.838  6937.76    529.247  111.047 6.2093  113.066 4.3217  -2.018394      7.565231  
1 1 1 -1  39  20 o 129.480 3.2078  9092.35    449.857  8767.83    884.786  9205.48    522.421  126.704 6.4689  130.251 3.7031  -3.547668      7.453813  
1 1 1 -1  39  21 o 74.856  3.2052  3040.37    259.865  3006.49    501.307  3052.82    303.881  73.971  6.3177  74.983  3.7417  -1.012726      7.342599  
1 1 1 -1  39  22 f 226.611 4.2805  27939.82   1050.62  27378.43   2098.99  28127.48   1213.58  222.709 8.7017  227.198 4.9317  -4.489151      10.00200  
1 1 1 -1  39  23 o 207.580 4.2032  23477.89   945.012  21605.29   2361.85  23834.82   1031.15  195.251 11.215  209.042 4.5543  -13.79001      12.10484  
1 1 1 -1  39  24 o 130.208 3.3042  9226.34    465.984  8541.86    924.382  9459.55    539.556  124.094 6.9048  131.744 3.7813  -7.649971      7.872388  
1 1 1 -1  39  25 o 47.435  1.6168  1220.29    83.065   1341.00    121.085  1112.99    114.163  49.693  2.2497  45.207  2.3396  4.486481       3.245762  
1 1 1 -1  39  26 f 54.260  4.2250  1622.92    246.345  2217.37    486.801  1418.29    285.616  62.490  7.3316  50.438  5.3079  12.05214       9.051326  
1 1 1 -1  39  27 o 58.014  4.3030  1859.97    268.454  1953.86    513.534  1824.67    314.910  57.906  8.4358  57.216  5.1363  0.6901970      9.876404  
1 1 1 -1  39  28 o 85.799  3.3920  4032.92    315.215  4395.49    638.116  3915.89    362.535  87.868  6.7568  84.368  3.9674  3.500000       7.835480  
1 1 1 -1  39  29 o 50.974  4.6149  1454.42    252.026  1378.28    498.917  1480.50    292.024  46.916  10.116  51.153  5.3500  -4.236958      11.44361  
1 1 1 -1  39  30 o 22.575  7.6191  289.918    221.027  557.245    450.501  205.169    253.655  30.241  10.836  20.972  8.0140  9.269567       13.47743  
1 1 1 -1  39  31 o 47.468  4.9026  1294.57    248.423  1461.89    508.204  1242.04    284.764  46.263  10.396  45.939  5.8563  0.3230400      11.93175  
1 1 1 -1  39  32 o 52.165  7.5634  1723.56    414.873  0.0000     0.0000   1723.56    414.873  ?       ?       52.165  7.5634  0.000000       7.563419  
1 1 1 -1  39  33 o 26.063  9.8571  478.286    381.268  0.0000     0.0000   478.286    381.268  ?       ?       26.063  9.8571  0.000000       9.857095  
1 1 1 -1  39  34 o 25.394  9.8364  481.207    385.795  0.0000     0.0000   481.207    385.795  ?       ?       25.394  9.8364  0.000000       9.836449  
1 1 1 -1  39  35 o 20.854  10.062  -191.7169  682.179  0.0000     0.0000   -191.7169  682.179  ?       ?       20.854  10.062  0.000000       10.06248  
1 1 1 -1  40  1  o 782.143 18.184  333269.81  15404.08 339390.81  21786.33 327150.59  21782.99 787.020 25.558  772.529 26.034  14.49139       36.48230  
1 1 1 -1  40  2  o 749.130 24.869  307376.31  20178.31 0.0000     0.0000   307376.31  20178.31 ?       ?       749.130 24.869  0.000000       24.86896  
1 1 1 -1  40  3  o 438.622 7.3591  104296.70  3496.10  105236.60  4944.49  103356.90  4943.98  440.369 10.367  436.411 10.460  3.958740       14.72638  
1 1 1 -1  40  4  o 230.992 4.2396  28906.19   1060.70  28830.81   1500.27  28981.52   1499.84  230.648 6.0055  231.250 5.9882  -0.6025543     8.480813  
1 1 1 -1  40  5  o 449.804 7.5966  109708.50  3700.94  109427.20  5234.21  109989.80  5233.61  448.938 10.765  450.094 10.736  -1.155884      15.20293  
1 1 1 -1  40  6  o 201.103 3.8273  21909.57   833.648  22961.65   1180.59  20863.28   1177.33  205.841 5.2954  196.204 5.5401  9.637192       7.663816  
1 1 1 -1  40  7  o 302.000 6.1255  49442.16   2003.64  48256.52   3469.65  50035.36   2454.21  298.041 10.748  303.732 7.4602  -5.690125      13.08360  
1 1 1 -1  40  8  f 319.030 6.3928  55188.34   2209.00  57628.24   2706.22  50316.75   3823.95  325.917 7.6663  304.188 11.606  21.72888       13.90977  
1 1 1 -1  40  9  o 154.633 3.3292  12954.24   557.588  14145.39   761.066  11574.02   819.242  161.563 4.3492  146.122 5.1764  15.44080       6.760938  
1 1 1 -1  40  10 o 287.866 6.6002  44956.21   2057.86  46901.82   3236.23  43635.50   2666.35  293.671 10.174  283.422 8.6859  10.24908       13.37767  
1 1 1 -1  40  11 o 105.544 3.2889  6035.66    375.965  5766.96    458.805  6584.88    655.951  103.153 4.1065  110.192 5.4961  -7.038284      6.860792  
1 1 1 -1  40  12 o 118.140 3.0055  7561.99    384.580  8185.82    539.172  6915.90    548.708  122.893 4.0507  112.948 4.4853  9.944931       6.043705  
1 1 1 -1  40  13 o 374.104 6.3527  75971.13   2574.06  78452.47   3641.32  73492.66   3639.22  379.743 8.8532  367.487 9.1431  12.25558       12.72696  
1 1 1 -1  40  14 o 397.396 7.2466  85814.93   3119.09  88724.62   4090.52  81773.13   4821.07  403.621 9.3570  386.929 11.504  16.69186       14.82871  
1 1 1 -1  40  15 o 145.820 3.2438  11523.93   512.319  11387.48   1013.81  11570.73   593.704  144.793 6.4646  146.097 3.7520  -1.304245      7.474462  
1 1 1 -1  40  16 o 227.444 6.8208  28116.54   1680.27  28643.16   2077.86  27121.50   2856.21  229.355 8.3645  222.254 11.908  7.101196       14.55244  
1 1 1 -1  40  17 o 182.710 5.2226  18121.44   1033.52  19451.76   1460.91  16788.55   1462.32  189.104 7.1327  175.619 7.6878  13.48427       10.48700  
1 1 1 -1  40  18 o 139.745 4.7752  10600.21   722.764  10246.30   1075.81  10891.36   975.777  136.993 7.2766  141.524 6.3658  -4.530899      9.668082  
1 1 1 -1  40  19 o 243.673 4.7227  32241.21   1246.43  32545.86   2331.86  32119.34   1474.79  244.016 8.8230  243.081 5.6016  0.9349365      10.45095  
1 1 1 -1  40  20 o 266.032 5.0837  38475.34   1464.83  38312.09   2733.38  38541.11   1735.00  264.185 9.5526  266.054 6.0209  -1.868988      11.29175  
1 1 1 -1  40  21 o 128.667 3.1915  8983.77    444.773  8279.82    875.718  9228.49    516.326  122.943 6.6006  130.367 3.6567  -7.423683      7.545786  
1 1 1 -1  40  22 o 51.322  3.6213  1438.53    200.007  1951.17    398.137  1265.49    231.313  59.387  6.2853  48.001  4.5017  11.38531       7.731117  
1 1 1 -1  40  23 o 35.862  4.8518  714.920    183.614  527.246    424.254  758.175    203.677  31.385  10.556  36.873  5.2480  -5.487875      11.78865  
1 1 1 -1  40  24 o 87.701  2.7666  4180.13    262.800  4124.87    609.215  4192.76    291.297  86.179  6.5764  87.799  3.0632  -1.619904      7.254861  
1 1 1 -1  40  25 o 80.741  3.3060  3552.15    289.110  3855.24    581.050  3452.43    333.296  83.153  6.5034  79.509  3.8703  3.643669       7.567883  
1 1 1 -1  40  26 o 87.136  3.2564  4141.79    307.331  4199.69    617.167  4122.70    354.397  86.533  6.6354  86.829  3.7684  -0.2956467     7.630831  
1 1 1 -1  40  27 o 202.409 4.0409  22492.58   885.884  22569.73   1768.02  22466.71   1023.66  198.568 8.2207  201.823 4.6829  -3.255447      9.460925  
1 1 1 -1  40  28 o 86.378  3.0191  4078.56    282.458  3812.43    632.772  4144.78    315.651  81.456  7.2479  86.982  3.3505  -5.526024      7.984866  
1 1 1 -1  40  29 o 67.498  2.7985  2491.18    204.589  2426.53    550.088  2501.56    220.400  63.998  8.1184  67.587  3.0108  -3.588734      8.658708  
1 1 1 -1  40  30 o 53.052  4.5465  1583.55    258.723  1178.02    504.302  1728.42    301.412  42.094  10.955  55.181  5.1009  -13.08679      12.08456  
1 1 1 -1  40  31 o 29.817  7.2187  556.647    230.629  274.904    467.277  647.383    265.179  24.752  10.369  31.910  7.7498  -7.158194      12.94515  
1 1 1 -1  40  32 o 39.331  8.7663  1041.60    363.902  0.0000     0.0000   1041.60    363.902  ?       ?       39.331  8.7663  0.000000       8.766349  
1 1 1 -1  40  33 o 38.380  9.0138  1037.65    368.318  0.0000     0.0000   1037.65    368.318  ?       ?       38.380  9.0138  0.000000       9.013844  
1 1 1 -1  40  34 f 21.624  9.2153  248.524    379.698  0.0000     0.0000   248.524    379.698  ?       ?       21.624  9.2153  0.000000       9.215331  
1 1 1 -1  41  1  o 355.052 6.0750  68318.02   2336.18  69896.63   3304.70  66741.02   3303.02  359.008 8.4988  350.799 8.6933  8.208984       12.15740  
1 1 1 -1  41  2  o 381.647 6.5007  78945.50   2687.13  79373.17   3800.84  78518.12   3799.52  382.520 9.1739  380.451 9.2206  2.069214       13.00697  
1 1 1 -1  41  3  o 140.344 3.0994  10668.72   471.131  10952.03   667.237  10387.03   665.326  142.181 4.3328  138.464 4.4364  3.717346       6.201162  
1 1 1 -1  41  4  o 382.358 6.5389  79248.80   2707.97  79662.72   3830.19  78835.11   3829.12  383.175 9.2290  381.176 9.2748  1.999176       13.08416  
1 1 1 -1  41  5  o 399.615 6.8108  86578.43   2947.87  86408.76   4169.25  86748.05   4168.58  398.998 9.6475  399.783 9.6271  -0.7844849     13.62922  
1 1 1 -1  41  6  o 835.895 15.917  380923.00  14410.34 387198.59  24959.76 377785.31  17648.88 837.238 27.525  831.018 19.608  6.219543       33.79473  
1 1 1 -1  41  7  o 224.036 5.9040  27209.40   1432.63  26975.35   2024.35  27444.24   2027.74  222.955 8.3830  224.888 8.3248  -1.932571      11.81427  
1 1 1 -1  41  8  o 28.006  5.0539  438.233    147.662  471.567    203.091  400.849    215.076  28.913  6.6271  26.746  7.2450  2.166319       9.818750  
1 1 1 -1  41  9  o 391.229 7.7406  83077.96   3280.03  84295.19   5680.69  82469.20   4017.37  393.211 13.338  389.568 9.5211  3.643341       16.38799  
1 1 1 -1  41  10 f 509.246 12.094  141331.50  6670.74  137976.09  9434.19  144686.30  9433.50  501.491 17.369  513.696 16.955  -12.20575      24.27238  
1 1 1 -1  41  11 o 622.928 13.632  212036.41  9197.60  208139.50  10102.32 230916.41  22236.26 616.540 15.128  636.331 32.370  -19.79083      35.73073  
1 1 1 -1  41  12 o 106.421 2.8462  6135.92    328.066  6081.30    469.704  6187.95    458.413  105.921 4.0942  106.849 3.9611  -0.9278030     5.696752  
1 1 1 -1  41  13 o 421.741 7.1318  96620.08   3257.75  100088.90  4608.10  93154.20   4606.19  428.629 9.9259  413.423 10.287  15.20599       14.29478  
1 1 1 -1  41  14 o 269.798 4.8162  39481.18   1407.40  41844.71   1991.83  37124.58   1988.90  277.565 6.6255  261.395 7.0250  16.17056       9.656480  
1 1 1 -1  41  15 o 194.803 3.8252  20572.82   807.094  21087.08   1607.63  20399.53   933.224  196.922 7.5374  193.945 4.4426  2.976746       8.749238  
1 1 1 -1  41  16 o 127.481 4.4879  8815.10    619.664  8792.87    848.649  8840.49    906.925  127.231 6.1584  127.378 6.5963  -0.1470032     9.024210  
1 1 1 -1  41  17 o 136.711 4.7077  10141.75   697.083  9934.21    1033.67  10314.86   944.062  134.950 7.0968  137.762 6.3270  -2.812302      9.507709  
1 1 1 -1  41  18 o 362.593 6.2518  71488.10   2455.24  75784.01   4910.24  70055.96   2835.10  371.226 12.212  358.680 7.2978  12.54608       14.22658  
1 1 1 -1  41  19 o 81.507  2.7709  3601.18    244.619  3952.53    371.619  3332.54    324.946  85.345  4.0202  78.373  3.8280  6.971581       5.551191  
1 1 1 -1  41  20 o 135.412 3.2174  9946.35    471.881  9953.38    939.336  9943.97    545.741  135.131 6.4180  135.358 3.7225  -0.2274628     7.419372  
1 1 1 -1  41  21 o 120.352 3.1194  7860.51    406.630  7487.96    800.223  7990.19    472.128  116.918 6.3429  121.300 3.5936  -4.381721      7.290148  
1 1 1 -1  41  22 o 185.457 3.8866  18707.54   780.691  17344.11   1885.53  18989.63   857.660  176.219 9.9193  186.773 4.2397  -10.55391      10.78733  
1 1 1 -1  41  23 o 48.339  2.2416  1267.88    117.363  1595.82    453.371  1244.33    121.505  53.043  8.1523  47.884  2.3428  5.159245       8.482296  
1 1 1 -1  41  24 o 22.711  6.9865  286.387    188.621  -227.4221  399.227  434.041    214.014  19.152  8.7260  27.472  7.1304  -8.319971      11.26880  
1 1 1 -1  41  25 o 59.561  3.9133  1946.48    251.046  2375.91    493.942  1796.92    291.503  64.919  7.1429  57.035  4.7623  7.884033       8.584951  
1 1 1 -1  41  26 o 57.174  2.0071  1775.31    124.292  1681.24    187.997  1848.36    165.665  55.438  3.1439  58.280  2.6245  -2.842529      4.095340  
1 1 1 -1  41  27 o 103.416 3.4228  5850.69    383.384  6125.25    735.913  5748.42    449.149  104.245 6.5511  102.301 4.0536  1.944138       7.703792  
1 1 1 -1  41  28 o 46.844  4.8440  1229.73    242.219  943.193    472.465  1331.89    282.114  38.720  10.838  48.558  5.4587  -9.837719      12.13484  
1 1 1 -1  41  29 o 27.939  7.3871  467.496    226.949  710.148    442.656  380.968    264.334  33.633  10.754  25.573  8.3230  8.059717       13.59863  
1 1 1 -1  41  30 o 63.351  3.9354  2236.27    268.699  2704.60    542.291  2083.87    309.341  67.287  7.5726  60.765  4.7376  6.521935       8.932530  
1 1 1 -1  41  31 o 65.741  2.7696  2383.34    197.208  2178.32    552.469  2413.28    211.116  57.616  9.1597  66.073  2.9500  -8.457150      9.623002  
1 1 1 -1  41  32 o 31.345  9.4691  693.999    348.595  0.0000     0.0000   693.999    348.595  ?       ?       31.345  9.4691  0.000000       9.469114  
1 1 1 -1  41  33 o 15.144  7.2247  -274.8816  329.886  0.0000     0.0000   -274.8816  329.886  ?       ?       15.144  7.2247  0.000000       7.224746  
1 1 1 -1  41  34 o 26.959  9.6947  565.600    360.913  0.0000     0.0000   565.600    360.913  ?       ?       26.959  9.6947  0.000000       9.694715  
1 1 1 -1  42  1  o 248.895 4.5124  33563.02   1216.45  34293.74   1721.49  32834.27   1719.16  251.538 6.3187  246.123 6.4490  5.415039       9.028647  
1 1 1 -1  42  2  o 413.958 7.0123  92900.48   3144.05  91627.84   4446.91  94172.49   4445.81  410.887 9.9923  416.566 9.8536  -5.678833      14.03354  
1 1 1 -1  42  3  o 282.324 5.0053  43189.98   1530.56  44068.91   2165.21  42312.16   2163.85  285.104 7.0117  279.357 7.1515  5.746735       10.01543  
1 1 1 -1  42  4  o 194.523 3.7781  20499.09   796.012  20596.13   1126.14  20402.20   1125.32  194.950 5.3334  194.029 5.3547  0.9204865      7.557633  
1 1 1 -1  42  5  o 111.300 2.8247  6710.02    340.515  6696.37    484.933  6723.30    478.258  111.175 4.0272  111.399 3.9638  -0.2239914     5.650657  
1 1 1 -1  42  6  o 385.222 7.5766  80495.13   3161.21  76960.01   5474.33  82263.70   3872.04  376.011 13.442  389.282 9.1834  -13.27118      16.27944  
1 1 1 -1  42  7  o 386.446 7.6106  81022.97   3185.50  80146.51   3901.37  82776.02   5517.58  384.169 9.3762  389.914 13.065  -5.744781      16.08126  
1 1 1 -1  42  8  o 478.602 8.0067  124331.30  4150.46  128926.00  5870.49  119739.30  5868.79  486.848 11.133  469.103 11.551  17.74454       16.04253  
1 1 1 -1  42  9  o 376.286 7.4192  76849.93   3023.75  81074.36   5239.90  74740.88   3702.40  385.695 12.543  370.863 9.2172  14.83139       15.56564  
1 1 1 -1  42  10 f 473.618 9.2154  121948.80  4727.30  121488.20  5790.13  122869.60  8186.79  472.259 11.320  473.578 15.961  -1.318817      19.56736  
1 1 1 -1  42  11 o 264.292 4.7438  37870.39   1357.94  38363.76   1920.77  37377.37   1920.08  265.861 6.6704  262.413 6.7556  3.447632       9.493774  
1 1 1 -1  42  12 o 438.570 7.3816  104483.00  3506.40  105697.00  4959.60  103269.70  4957.99  440.450 10.396  435.333 10.515  5.116821       14.78685  
1 1 1 -1  42  13 o 91.629  2.9032  4549.22    288.125  5013.86    412.460  4106.40    402.658  96.173  3.9597  87.029  4.2717  9.144234       5.824629  
1 1 1 -1  42  14 o 204.927 3.9421  22766.63   874.978  22618.93   1238.94  22913.61   1235.88  204.151 5.6031  205.481 5.5531  -1.329422      7.888687  
1 1 1 -1  42  15 o 149.315 4.9534  12095.84   801.078  12291.67   1052.52  11826.20   1235.04  150.423 6.4602  147.243 7.7717  3.179779       10.10613  
1 1 1 -1  42  16 o 245.306 6.3848  32695.99   1696.40  32707.21   2397.25  32684.73   2400.88  244.942 9.0361  244.855 9.0530  0.8721924E-01  12.79093  
1 1 1 -1  42  17 o 208.299 4.0072  23532.20   904.061  24597.78   1804.85  23175.28   1044.55  212.514 7.8412  206.658 4.6667  5.856003       9.124818  
1 1 1 -1  42  18 o 41.681  4.3263  952.826    192.467  829.951    372.729  997.502    224.749  38.221  9.1291  42.575  4.9672  -4.354000      10.39300  
1 1 1 -1  42  19 o 162.883 3.4733  14390.50   612.748  15148.10   1223.41  14136.81   707.943  166.748 6.7740  161.395 4.0498  5.352585       7.892262  
1 1 1 -1  42  20 o 92.707  3.0202  4661.56    303.263  4876.32    601.922  4588.50    351.078  94.431  5.9150  91.952  3.5251  2.479073       6.885730  
1 1 1 -1  42  21 f 23.366  6.6453  306.091    176.166  551.742    329.455  207.728    208.474  31.317  9.1432  20.858  7.3822  10.45853       11.75135  
1 1 1 -1  42  22 o 85.469  2.9829  3966.88    276.132  4189.46    550.202  3891.95    319.250  87.305  5.8524  84.616  3.4834  2.689247       6.810616  
1 1 1 -1  42  23 o 44.599  4.4050  1095.91    210.006  1276.20    439.750  1042.64    239.024  47.077  8.9516  43.344  5.1949  3.732475       10.34980  
1 1 1 -1  42  24 o 96.054  2.8808  5016.87    299.712  4450.02    510.738  5314.60    370.145  89.893  5.2687  98.775  3.4598  -8.882545      6.303145  
1 1 1 -1  42  25 o 46.795  2.1801  1189.33    110.494  636.289    449.107  1224.96    113.998  33.346  10.849  47.489  2.2163  -14.14275      11.07262  
1 1 1 -1  42  26 o 34.049  1.9440  631.602    71.393   623.822    74.723   713.109    241.859  33.827  2.0492  35.215  6.5832  -1.388145      6.894707  
1 1 1 -1  42  27 o 125.503 3.3428  8615.49    454.400  7508.16    894.680  9000.42    527.500  114.891 7.2265  128.090 3.8022  -13.19864      8.165764  
1 1 1 -1  42  28 o 29.361  7.4769  513.527    238.414  290.631    439.393  606.533    283.829  26.221  10.395  31.734  8.1992  -5.513176      13.23948  
1 1 1 -1  42  29 o 15.413  6.7129  -16.5012   210.063  -18.4284   419.907  -15.8579   242.602  21.336  9.3862  16.540  7.2087  4.795630       11.83492  
1 1 1 -1  42  30 o 43.497  2.2986  1036.70    107.904  1264.57    484.732  1024.82    110.681  43.740  10.387  43.229  2.3729  0.5104637      10.65420  
1 1 1 -1  42  31 o 16.959  2.5071  161.428    44.664   0.0000     0.0000   161.428    44.664   ?       ?       16.959  2.5071  0.000000       2.507070  
1 1 1 -1  42  32 o 29.226  9.9452  613.526    376.620  0.0000     0.0000   613.526    376.620  ?       ?       29.226  9.9452  0.000000       9.945250  
1 1 1 -1  42  33 o 19.380  8.6427  59.063     368.166  0.0000     0.0000   59.063     368.166  ?       ?       19.380  8.6427  0.000000       8.642660  
1 1 1 -1  42  34 o 17.911  8.1397  -0.2086    344.576  0.0000     0.0000   -0.2086    344.576  ?       ?       17.911  8.1397  0.000000       8.139691  
1 1 1 -1  43  1  o 280.793 4.9870  42723.04   1516.70  43912.62   2145.66  41535.08   2144.20  284.597 6.9608  276.777 7.1526  7.820251       9.980638  
1 1 1 -1  43  2  o 409.566 6.9537  90946.86   3084.68  89959.19   4362.80  91934.16   4361.98  407.096 9.8946  411.551 9.7857  -4.454956      13.91625  
1 1 1 -1  43  3  o 477.220 8.0039  123528.20  4137.06  125343.60  5851.33  121713.50  5850.04  480.344 11.247  473.315 11.411  7.028473       16.02223  
1 1 1 -1  43  4  o 321.081 5.5645  55875.61   1935.15  55936.10   2736.66  55815.11   2736.75  321.125 7.8682  320.777 7.8770  0.3480835      11.13357  
1 1 1 -1  43  5  o 128.981 2.9996  9011.63    419.043  9044.18    594.322  8979.44    590.926  129.198 4.2471  128.734 4.2381  0.4630890      5.999955  
1 1 1 -1  43  6  o 329.698 6.5808  58945.04   2349.98  54893.36   4068.68  60973.27   2878.69  317.696 11.824  335.222 7.9285  -17.52542      14.23633  
1 1 1 -1  43  7  o 307.327 6.1973  51216.45   2062.86  53367.35   2527.04  46920.32   3571.42  313.623 7.4393  293.717 11.226  19.90616       13.46758  
1 1 1 -1  43  8  o 158.808 3.8744  13665.76   666.413  13534.70   1151.59  13731.75   817.135  157.953 6.7313  159.168 4.7399  -1.215195      8.232685  
1 1 1 -1  43  9  o 502.496 11.943  137584.09  6499.96  134036.70  9192.74  141130.80  9191.93  494.366 17.168  507.442 16.724  -13.07645      23.96775  
1 1 1 -1  43  10 o 180.179 4.2181  17596.08   823.164  16824.97   1009.19  19128.93   1422.88  176.144 5.2897  187.724 6.9981  -11.57988      8.772349  
1 1 1 -1  43  11 o 41.279  3.3746  929.513    149.557  975.652    220.029  889.890    203.901  42.134  4.9138  40.231  4.7724  1.902443       6.849905  
1 1 1 -1  43  12 o 135.546 3.1531  9955.64    462.906  10458.24   661.194  9472.46    648.292  138.888 4.3954  132.175 4.5285  6.712265       6.310794  
1 1 1 -1  43  13 o 350.009 6.0774  66500.54   2303.90  67968.26   3259.11  65034.44   3257.30  353.448 8.5134  345.700 8.6994  7.747681       12.17199  
1 1 1 -1  43  14 o 351.615 8.6169  67300.05   3281.64  70080.88   4640.47  64518.09   4641.40  357.951 11.969  343.303 12.483  14.64871       17.29382  
1 1 1 -1  43  15 o 130.513 4.3903  9238.14    620.606  9781.91    875.575  8689.14    879.778  134.213 6.0232  126.305 6.4526  7.907639       8.826931  
1 1 1 -1  43  16 o 142.824 3.2401  11056.66   501.225  12850.58   999.126  10453.36   579.408  153.811 5.9974  138.847 3.8528  14.96323       7.128334  
1 1 1 -1  43  17 o 316.812 5.5678  54519.46   1910.53  57733.15   3819.99  53447.44   2206.29  324.649 10.864  313.511 6.4974  11.13724       12.65845  
1 1 1 -1  43  18 o 349.528 6.4909  66473.36   2457.29  68182.33   4563.99  65775.72   2916.03  352.015 11.971  347.342 7.7511  4.672852       14.26091  
1 1 1 -1  43  19 o 173.059 3.7617  16250.96   705.090  15145.59   1342.55  16671.97   828.555  166.597 7.4403  175.227 4.3657  -8.630264      8.626564  
1 1 1 -1  43  20 f 63.420  3.2983  2188.29    225.778  1607.24    447.323  2386.92    261.536  53.614  7.9435  66.209  3.6613  -12.59461      8.746684  
1 1 1 -1  43  21 o 120.738 3.0933  7912.84    404.514  7758.73    805.579  7964.80    467.761  118.967 6.2741  121.087 3.5666  -2.119926      7.216962  
1 1 1 -1  43  22 o 94.532  2.7945  4851.78    286.124  4940.37    604.687  4826.22    324.784  94.795  5.9191  94.247  3.1817  0.5473328      6.720024  
1 1 1 -1  43  23 o 28.939  6.0351  477.060    183.039  352.687    402.417  509.504    205.530  27.626  10.191  29.845  6.5389  -2.219368      12.10871  
1 1 1 -1  43  24 o 27.190  1.4875  402.002    43.639   288.489    401.307  403.360    43.899   26.327  10.075  27.235  1.4939  -0.9085293     10.18548  
1 1 1 -1  43  25 o 46.304  4.5480  1187.03    225.146  910.530    452.372  1278.08    259.579  38.990  10.485  47.938  5.0766  -8.948143      11.64897  
1 1 1 -1  43  26 o 115.500 3.2740  7282.39    409.567  6897.42    810.331  7414.47    474.658  110.776 6.7865  116.393 3.7652  -5.617599      7.761001  
1 1 1 -1  43  27 o 23.992  1.4778  313.524    38.213   -84.4612   422.191  316.811    38.371   20.954  9.3052  24.118  1.4760  -3.163433      9.421581  
1 1 1 -1  43  28 o 88.586  3.4415  4306.39    330.208  4187.79    641.759  4349.10    385.096  85.377  7.0016  88.818  4.0031  -3.441208      8.065193  
1 1 1 -1  43  29 o 78.110  3.5008  3357.93    296.168  3437.07    590.750  3331.36    342.292  76.808  7.1846  77.472  4.0938  -0.6641083     8.269059  
1 1 1 -1  43  30 o 76.757  3.6504  3268.71    303.475  3047.67    593.012  3347.14    353.234  70.816  7.8643  77.248  4.2381  -6.432129      8.933596  
1 1 1 -1  43  31 o 24.723  8.2871  389.727    261.467  0.0000     0.0000   389.727    261.467  ?       ?       24.723  8.2871  0.000000       8.287133  
1 1 1 -1  43  32 o 24.666  9.3737  391.467    345.836  0.0000     0.0000   391.467    345.836  ?       ?       24.666  9.3737  0.000000       9.373716  
1 1 1 -1  43  33 o 26.382  9.8902  511.879    381.999  0.0000     0.0000   511.879    381.999  ?       ?       26.382  9.8902  0.000000       9.890203  
1 1 1 -1  43  34 o 27.641  9.1223  574.583    317.129  0.0000     0.0000   574.583    317.129  ?       ?       27.641  9.1223  0.000000       9.122253  
1 1 1 -1  44  1  o 492.646 8.1981  131657.00  4374.42  134232.80  6187.23  129082.60  6185.50  497.036 11.493  487.376 11.718  9.660065       16.41325  
1 1 1 -1  44  2  o 697.454 11.430  264320.69  8634.55  271792.69  12211.88 256850.70  12210.33 706.118 15.967  686.303 16.426  19.81464       22.90816  
1 1 1 -1  44  3  o 394.146 6.6778  84231.27   2850.78  84002.64   4031.96  84459.80   4031.26  393.375 9.4632  394.446 9.4359  -1.071686      13.36371  
1 1 1 -1  44  4  o 278.609 4.9672  42066.14   1498.91  41927.84   2121.78  42203.91   2117.79  278.052 7.0454  278.968 7.0090  -0.9159241     9.938002  
1 1 1 -1  44  5  o 707.993 13.562  272970.31  10399.85 259080.91  18012.93 279915.19  12737.22 685.574 24.258  716.016 16.424  -30.44226      29.29529  
1 1 1 -1  44  6  o 429.928 10.293  100451.60  4793.08  96539.47   6778.31  104364.10  6778.58  420.670 14.877  437.506 14.305  -16.83621      20.63852  
1 1 1 -1  44  7  o 242.834 5.1100  31965.12   1344.01  33269.03   2329.00  31314.09   1645.68  247.513 8.6876  240.287 6.3233  7.225693       10.74520  
1 1 1 -1  44  8  o 359.462 7.1509  70122.40   2784.08  70266.36   4822.58  70050.44   3409.64  359.077 12.400  359.088 8.7667  -0.1150513E-01 15.18601  
1 1 1 -1  44  9  o 267.575 6.8112  38854.90   1973.96  38440.74   2792.62  39268.45   2790.58  265.858 9.6982  268.718 9.5880  -2.859894      13.63763  
1 1 1 -1  44  10 o 89.988  3.2434  4387.72    316.122  4248.50    389.880  4654.88    540.103  88.536  4.0658  92.487  5.4153  -3.950562      6.771731  
1 1 1 -1  44  11 o 272.505 4.8879  40267.71   1442.67  39852.13   2040.44  40683.12   2040.04  270.914 6.9538  273.732 6.8809  -2.817474      9.782709  
1 1 1 -1  44  12 o 237.067 4.7348  30476.83   1215.76  31287.78   1613.96  29413.10   1848.47  240.084 6.2067  232.674 7.3349  7.410538       9.608532  
1 1 1 -1  44  13 o 486.760 13.842  129927.40  7297.46  129581.80  8706.71  130743.40  13378.73 484.803 16.581  480.349 25.810  4.454926       30.67702  
1 1 1 -1  44  14 o 174.413 5.5792  16510.53   1053.94  16392.21   1342.21  16700.82   1702.10  173.665 7.1357  174.875 9.0171  -1.210266      11.49898  
1 1 1 -1  44  15 o 243.000 6.3321  32077.28   1666.58  31811.16   2355.55  32344.00   2358.26  241.609 9.0014  243.635 8.9368  -2.025925      12.68429  
1 1 1 -1  44  16 o 92.791  2.7459  4665.95    275.966  4755.63    580.565  4639.77    313.668  93.398  5.7673  92.522  3.1301  0.8761902      6.561966  
1 1 1 -1  44  17 o 129.137 3.1607  9040.03    442.076  9058.69    869.758  9033.53    513.329  129.085 6.2209  129.068 3.6721  0.1773071E-01  7.223795  
1 1 1 -1  44  18 o 130.848 3.2093  9283.27    454.828  9779.03    895.289  9110.82    528.044  134.077 6.1651  129.597 3.7619  4.479492       7.222209  
1 1 1 -1  44  19 o 203.688 4.1218  22524.30   909.335  20709.60   2266.89  22872.30   992.705  193.597 10.855  205.211 4.4663  -11.61331      11.73760  
1 1 1 -1  44  20 o 98.091  2.8720  5219.08    305.135  5078.49    626.257  5262.85    349.416  96.314  6.0338  98.478  3.2759  -2.164001      6.865737  
1 1 1 -1  44  21 o 74.473  3.1440  3011.26    253.600  3173.69    493.603  2953.01    295.597  75.960  6.0497  73.619  3.7192  2.341454       7.101535  
1 1 1 -1  44  22 o 60.156  3.3823  1973.65    219.477  1717.10    424.104  2067.49    256.495  55.363  7.2467  61.508  3.8699  -6.145668      8.215251  
1 1 1 -1  44  23 o 43.376  1.3583  1019.74    63.812   950.050    92.716   1082.46    87.960   41.846  2.0456  44.676  1.8178  -2.829571      2.736585  
1 1 1 -1  44  24 o 72.232  3.3355  2842.08    260.953  3178.18    534.133  2736.71    299.074  75.478  6.6000  70.696  3.9212  4.782494       7.676994  
1 1 1 -1  44  25 o 75.563  3.3075  3113.88    270.692  2584.47    554.550  3279.48    310.152  67.410  7.7354  77.479  3.6959  -10.06931      8.572993  
1 1 1 -1  44  26 o 89.818  3.1648  4402.92    307.875  5021.01    642.983  4219.05    350.691  94.644  6.3086  87.802  3.6877  6.842369       7.307338  
1 1 1 -1  44  27 o 68.827  2.9034  2586.05    216.439  2077.84    284.378  3285.74    333.682  61.258  4.3137  77.206  4.0041  -15.94837      5.885619  
1 1 1 -1  44  28 o 25.782  2.6139  366.440    71.983   332.867    444.346  367.345    72.947   26.886  10.517  25.809  2.6470  1.077448       10.84477  
1 1 1 -1  44  29 o 23.331  7.7646  311.482    229.584  372.819    434.086  287.661    270.515  27.057  10.447  23.221  8.3876  3.836605       13.39747  
1 1 1 -1  44  30 o 29.383  7.1584  532.091    225.717  305.214    456.030  605.707    259.768  25.485  10.416  31.116  7.7398  -5.631193      12.97717  
1 1 1 -1  44  31 o 44.009  6.3975  1175.03    296.013  0.0000     0.0000   1175.03    296.013  ?       ?       44.009  6.3975  0.000000       6.397464  
1 1 1 -1  44  32 f 20.546  8.6981  161.731    334.421  0.0000     0.0000   161.731    334.421  ?       ?       20.546  8.6981  0.000000       8.698055  
1 1 1 -1  44  33 o 21.168  8.8856  222.771    344.269  0.0000     0.0000   222.771    344.269  ?       ?       21.168  8.8856  0.000000       8.885644  
1 1 1 -1  44  34 o 23.642  9.5873  382.861    382.609  0.0000     0.0000   382.861    382.609  ?       ?       23.642  9.5873  0.000000       9.587311  
1 1 1 -1  45  1  o 123.582 2.9813  8272.91    399.056  8318.42    565.703  8227.83    563.007  123.907 4.2152  123.230 4.2182  0.6766205      5.963343  
1 1 1 -1  45  2  o 589.607 9.6432  188751.59  6158.22  199539.70  8710.18  177969.09  8707.91  605.520 13.281  571.686 14.063  33.83441       19.34317  
1 1 1 -1  45  3  o 347.413 5.9533  65430.14   2240.12  66637.95   3168.69  64223.39   3167.32  350.431 8.3485  344.011 8.5006  6.420074       11.91459  
1 1 1 -1  45  4  o 578.305 9.5970  181625.70  6011.22  184379.70  8502.04  178873.00  8500.25  581.875 13.490  573.072 13.695  8.803528       19.22327  
1 1 1 -1  45  5  f 366.746 7.2693  72967.14   2887.53  70160.40   5001.28  74370.57   3536.51  358.958 12.864  370.104 8.8223  -11.14560      15.59834  
1 1 1 -1  45  6  o 382.150 7.4597  79245.95   3087.65  84188.38   3782.07  69368.80   5346.57  393.725 8.8688  356.674 13.840  37.05069       16.43776  
1 1 1 -1  45  7  o 446.752 8.7417  108413.70  4229.92  106411.20  7326.84  109414.80  5180.42  441.228 15.331  448.479 10.665  -7.251801      18.67597  
1 1 1 -1  45  8  o 233.970 6.1243  29694.19   1551.97  29416.65   2195.59  29971.34   2194.06  232.680 8.7121  234.871 8.6248  -2.191223      12.25915  
1 1 1 -1  45  9  o 291.026 5.9490  45944.13   1875.18  44396.30   2296.63  49039.66   3247.87  285.949 7.4154  300.214 9.9884  -14.26483      12.44010  
1 1 1 -1  45  10 o 131.485 3.0620  9367.01    436.061  10092.18   619.956  8656.95    613.462  136.451 4.1948  126.368 4.4821  10.08252       6.138859  
1 1 1 -1  45  11 o 139.445 3.3043  10537.08   499.057  11465.06   692.479  9534.25    719.863  145.421 4.3965  132.590 5.0127  12.83113       6.667542  
1 1 1 -1  45  12 o 164.277 4.8502  14636.18   862.987  15330.37   1222.57  13946.81   1218.33  168.015 6.7182  160.234 7.0201  7.781433       9.716812  
1 1 1 -1  45  13 o 201.822 5.5125  22103.78   1205.01  21855.88   1701.29  22353.36   1707.01  200.479 7.8350  202.754 7.7731  -2.275375      11.03671  
1 1 1 -1  45  14 o 164.719 4.8636  14718.89   867.705  14616.19   1222.28  14823.23   1232.02  164.002 6.8810  165.159 6.8872  -1.156937      9.735629  
1 1 1 -1  45  15 o 170.656 3.5485  15787.66   655.903  16401.03   930.014  15180.66   925.178  173.858 4.9388  167.253 5.1072  6.604446       7.104602  
1 1 1 -1  45  16 f 197.251 3.8668  21099.16   826.116  22840.45   1651.02  20517.59   954.150  204.856 7.4411  194.465 4.5301  10.39125       8.711534  
1 1 1 -1  45  17 o 159.112 3.4171  13726.72   588.893  13166.86   1167.46  13917.79   682.018  155.545 6.9297  160.185 3.9310  -4.640182      7.967050  
1 1 1 -1  45  18 o 133.336 3.2070  9640.32    463.142  9520.60    912.331  9681.89    537.560  132.258 6.3689  133.594 3.7151  -1.336609      7.373200  
1 1 1 -1  45  19 o 83.515  3.0171  3782.57    272.908  3137.49    532.280  4012.62    317.868  75.580  6.5675  86.000  3.4125  -10.41944      7.401179  
1 1 1 -1  45  20 o 130.304 3.1802  9214.47    448.834  8432.60    925.380  9454.98    513.247  123.978 6.9190  131.955 3.5911  -7.976715      7.795385  
1 1 1 -1  45  21 o 79.130  2.6584  3397.64    227.841  3304.25    350.460  3466.01    299.857  77.813  4.1735  79.868  3.4664  -2.054321      5.425291  
1 1 1 -1  45  22 o 51.506  2.0107  1438.78    112.170  1552.91    130.145  1109.08    221.200  53.500  2.2460  44.847  4.6200  8.652500       5.136979  
1 1 1 -1  45  23 o 45.033  4.3454  1117.62    209.315  784.400    440.211  1214.97    237.933  36.666  10.530  46.894  4.7501  -10.22850      11.55177  
1 1 1 -1  45  24 o 17.415  6.6540  118.402    174.858  604.094    397.912  2.1657     194.660  32.474  10.174  15.444  6.5904  17.03051       12.12175  
1 1 1 -1  45  25 o 66.124  3.4323  2392.48    244.971  2080.83    516.235  2483.05    278.302  60.223  8.1215  67.282  3.8349  -7.058956      8.981378  
1 1 1 -1  45  26 o 115.621 3.2688  7301.83    409.356  6975.86    813.199  7412.47    473.759  111.274 6.7797  116.334 3.7599  -5.059830      7.752478  
1 1 1 -1  45  27 o 60.645  2.6512  2005.37    174.142  2025.21    206.762  1956.95    323.017  60.779  3.1517  59.167  5.0900  1.611736       5.986763  
1 1 1 -1  45  28 o 67.926  2.7048  2520.06    198.999  1861.48    540.757  2623.22    214.018  55.330  9.3571  69.270  2.8526  -13.94020      9.782272  
1 1 1 -1  45  29 o 26.527  7.4996  424.618    225.063  -13.9567   441.788  578.332    261.546  21.707  9.5850  30.773  7.8285  -9.065210      12.37568  
1 1 1 -1  45  30 o 34.196  6.6645  709.069    237.967  949.904    467.688  624.937    276.425  36.799  10.935  31.348  8.0877  5.450676       13.60066  
1 1 1 -1  45  31 o 47.374  7.4406  1408.72    369.205  0.0000     0.0000   1408.72    369.205  ?       ?       47.374  7.4406  0.000000       7.440588  
1 1 1 -1  45  32 o 23.367  2.0466  301.668    51.275   0.0000     0.0000   301.668    51.275   ?       ?       23.367  2.0466  0.000000       2.046597  
1 1 1 -1  45  33 o 24.014  9.3173  391.629    346.598  0.0000     0.0000   391.629    346.598  ?       ?       24.014  9.3173  0.000000       9.317342  
1 1 1 -1  45  34 o 25.334  9.5456  480.046    356.726  0.0000     0.0000   480.046    356.726  ?       ?       25.334  9.5456  0.000000       9.545609  
1 1 1 -1  46  1  o 179.445 3.5786  17444.89   695.521  17830.46   985.716  17062.59   981.526  181.384 5.0174  177.433 5.1074  3.951019       7.159598  
1 1 1 -1  46  2  o 206.050 3.9190  23003.17   874.609  23011.33   1238.19  22995.05   1235.58  206.039 5.5484  205.966 5.5386  0.7250977E-01  7.839753  
1 1 1 -1  46  3  o 343.679 5.9033  64035.74   2197.43  65851.05   3109.07  62223.80   3106.19  348.335 8.2407  338.585 8.4701  9.749908       11.81745  
1 1 1 -1  46  4  o 187.825 4.2692  19116.65   868.503  18919.36   1501.30  19215.88   1064.76  186.739 7.4227  188.284 5.2212  -1.544937      9.075093  
1 1 1 -1  46  5  o 336.916 8.2636  61622.94   3015.52  63347.96   4264.58  59897.89   4264.61  341.205 11.540  331.738 11.869  9.466919       16.55402  
1 1 1 -1  46  6  o 317.222 7.8390  54625.94   2693.35  56544.94   3809.46  52707.92   3808.49  322.387 10.910  311.205 11.299  11.18225       15.70631  
1 1 1 -1  46  7  o 247.069 5.1996  33095.95   1391.44  35687.14   2412.08  31803.63   1703.43  256.297 8.6892  242.120 6.4957  14.17662       10.84875  
1 1 1 -1  46  8  o 272.493 6.9110  40299.30   2039.70  39504.11   2885.32  41093.66   2883.81  269.484 9.8853  274.877 9.6863  -5.392609      13.83995  
1 1 1 -1  46  9  f 479.781 11.390  125457.30  5918.70  125457.30  5918.70  0.0000     0.0000   479.781 11.390  ?       ?       0.000000       11.38972  
1 1 1 -1  46  10 o 277.212 4.9312  41671.13   1480.60  44077.72   2097.56  39281.37   2090.22  284.936 6.7967  268.949 7.1755  15.98752       9.883452  
1 1 1 -1  46  11 o 266.510 5.6020  38536.36   1617.05  36835.00   1982.27  41920.66   2795.75  260.423 7.0277  277.517 9.3012  -17.09406      11.65766  
1 1 1 -1  46  12 o 454.089 10.870  112509.80  5345.93  115784.70  7560.52  109235.30  7560.05  459.006 15.208  445.638 15.663  13.36807       21.83116  
1 1 1 -1  46  13 o 158.201 4.7165  13574.45   808.163  12665.97   1138.01  14498.77   1147.89  152.684 6.8815  163.387 6.4865  -10.70335      9.456720  
1 1 1 -1  46  14 o 442.430 7.4795  106447.60  3584.14  107982.30  5070.21  104914.80  5067.28  444.703 10.527  438.290 10.674  6.412811       14.99168  
1 1 1 -1  46  15 o 319.665 5.5492  55479.17   1921.29  58048.63   2720.46  52922.30   2713.78  326.604 7.6904  311.780 8.0363  14.82407       11.12316  
1 1 1 -1  46  16 o 193.487 3.8142  20302.08   799.329  19651.81   1595.99  20519.81   923.500  189.954 7.7573  194.479 4.3842  -4.524750      8.910535  
1 1 1 -1  46  17 o 93.502  3.0660  4739.33    310.495  5396.96    603.659  4502.76    362.061  99.502  5.6243  91.118  3.6687  8.383759       6.715075  
1 1 1 -1  46  18 o 287.217 5.3829  44844.27   1674.54  45844.30   3120.80  44439.94   1984.40  289.075 9.9675  285.692 6.4130  3.383179       11.85228  
1 1 1 -1  46  19 f 233.476 4.6416  29627.24   1173.76  30853.57   2198.44  29138.29   1388.17  237.237 8.5558  231.365 5.5396  5.872192       10.19259  
1 1 1 -1  46  20 o 215.677 4.1107  25286.48   960.267  23446.52   1916.21  25903.50   1109.66  206.383 8.5723  218.167 4.6960  -11.78415      9.774337  
1 1 1 -1  46  21 o 58.030  3.2848  1835.32    205.608  1592.86    395.074  1925.38    240.786  53.410  6.9978  59.383  3.7631  -5.973270      7.945466  
1 1 1 -1  46  22 o 59.288  3.3685  1918.01    215.417  2303.62    464.789  1812.52    243.104  64.320  6.7736  57.551  3.9234  6.768639       7.827834  
1 1 1 -1  46  23 o 82.504  3.1313  3703.12    279.815  4180.40    579.053  3557.72    319.607  86.880  6.1942  80.802  3.6519  6.077438       7.190578  
1 1 1 -1  46  24 o 58.272  3.6309  1859.77    228.023  2158.20    490.099  1777.33    257.602  61.741  7.4816  56.848  4.2137  4.892925       8.586614  
1 1 1 -1  46  25 o 125.765 3.2129  8625.86    437.657  8759.32    872.242  8580.95    505.958  125.266 6.4508  125.286 3.7286  -0.2040100E-01 7.450806  
1 1 1 -1  46  26 o 89.298  2.8867  4348.20    279.201  3371.37    639.495  4578.25    310.341  76.650  7.8121  91.574  3.1289  -14.92465      8.415431  
1 1 1 -1  46  27 o 70.865  3.7251  2764.74    284.912  2418.83    553.251  2889.59    332.374  64.332  8.1210  72.270  4.2651  -7.937721      9.172826  
1 1 1 -1  46  28 o 52.919  4.4898  1562.97    254.914  1120.91    493.201  1724.11    297.771  41.931  10.795  55.400  5.0170  -13.46888      11.90419  
1 1 1 -1  46  29 f 43.152  5.5613  1070.24    253.876  768.397    476.868  1189.63    299.911  34.250  11.181  45.177  6.3007  -10.92791      12.83369  
1 1 1 -1  46  30 o 26.030  7.5225  424.974    224.032  512.700    457.115  397.241    257.016  28.367  10.778  25.200  8.2073  3.166655       13.54676  
1 1 1 -1  46  31 f 61.793  6.0480  2282.06    399.598  0.0000     0.0000   2282.06    399.598  ?       ?       61.793  6.0480  0.000000       6.048040  
1 1 1 -1  46  32 o 23.578  9.2115  344.079    340.578  0.0000     0.0000   344.079    340.578  ?       ?       23.578  9.2115  0.000000       9.211524  
1 1 1 -1  46  33 o 22.687  9.3380  309.842    369.697  0.0000     0.0000   309.842    369.697  ?       ?       22.687  9.3380  0.000000       9.337964  
1 1 1 -1  47  1  o 648.056 12.364  228560.09  8678.42  241542.30  15032.89 222070.91  10628.35 663.181 20.929  637.934 15.382  25.24707       25.97344  
1 1 1 -1  47  2  o 170.879 4.0171  15821.54   743.478  16185.37   1290.06  15640.61   909.753  172.743 6.8951  169.876 4.9445  2.867310       8.484708  
1 1 1 -1  47  3  o 189.391 4.1913  19436.55   859.751  18621.21   1491.51  19842.28   1052.14  185.256 7.4333  191.330 5.0771  -6.074158      9.001762  
1 1 1 -1  47  4  o 100.110 3.9207  5430.41    425.120  0.0000     0.0000   5430.41    425.120  ?       ?       100.110 3.9207  0.000000       3.920717  
1 1 1 -1  47  5  o 485.766 11.551  128447.10  6077.56  129605.40  8594.94  127288.70  8594.99  486.716 16.304  482.302 16.453  4.414642       23.16333  
1 1 1 -1  47  6  o 267.373 5.5619  38764.41   1610.69  39162.59   2791.85  38565.76   1971.97  268.401 9.6036  266.600 6.8292  1.801361       11.78423  
1 1 1 -1  47  7  o 89.611  3.8638  4351.60    375.009  4333.88    533.845  4368.88    526.910  89.225  5.5516  89.593  5.4559  -0.3686295     7.783748  
1 1 1 -1  47  8  o 162.562 3.9273  14321.86   691.494  14419.59   848.267  14128.28   1193.88  163.086 4.8022  161.340 6.8320  1.746399       8.350903  
1 1 1 -1  47  9  o 217.636 4.1555  25673.54   979.545  25501.85   1385.97  25844.89   1384.60  216.809 5.9021  218.265 5.8569  -1.456314      8.314953  
1 1 1 -1  47  10 o 160.649 3.4191  13985.58   594.927  14744.44   844.039  13236.31   838.693  164.900 4.7258  156.229 4.9564  8.670624       6.848298  
1 1 1 -1  47  11 o 65.182  4.1164  2312.43    289.119  2169.20    411.948  2451.46    405.872  62.922  6.1222  66.979  5.6474  -4.057487      8.329123  
1 1 1 -1  47  12 o 334.096 8.1916  60714.02   2964.21  63141.20   4194.76  58293.17   4189.29  340.014 11.390  326.589 11.843  13.42560       16.43178  
1 1 1 -1  47  13 o 237.592 4.3629  30611.63   1122.74  30054.64   1588.64  31167.43   1586.95  235.256 6.2347  239.584 6.1155  -4.328079      8.733338  
1 1 1 -1  47  14 o 171.884 3.7085  16016.45   690.406  16667.97   937.179  15243.24   1020.95  175.275 4.9367  167.570 5.6252  7.704575       7.484231  
1 1 1 -1  47  15 o 291.041 5.0952  45974.02   1606.15  46713.00   2276.28  45241.30   2266.63  293.052 7.1715  288.383 7.2567  4.668396       10.20246  
1 1 1 -1  47  16 o 103.345 2.8640  5788.46    320.578  5471.94    644.135  5892.67    369.604  100.171 5.9640  104.258 3.2731  -4.087440      6.803080  
1 1 1 -1  47  17 o 362.768 6.2669  71588.63   2462.36  70820.55   4923.71  71844.80   2843.49  358.344 12.686  363.148 7.2293  -4.804260      14.60123  
1 1 1 -1  47  18 o 162.732 3.4783  14365.51   613.077  15410.96   1217.80  14010.60   709.551  168.167 6.6859  160.659 4.0776  7.508759       7.831278  
1 1 1 -1  47  19 f 64.173  2.4837  2232.70    172.631  2376.01    225.762  2030.93    267.879  66.178  3.1497  61.012  4.0772  5.166172       5.152100  
1 1 1 -1  47  20 o 166.906 3.5133  15130.80   635.116  15426.90   1265.74  15031.16   734.241  167.810 6.9639  166.271 4.0771  1.539551       8.069645  
1 1 1 -1  47  21 o 64.250  2.4621  2239.82    171.334  2004.46    426.027  2285.23    187.135  60.066  6.6606  64.887  2.6627  -4.821507      7.173164  
1 1 1 -1  47  22 o 74.506  3.1078  3017.93    250.791  2992.85    533.912  3025.03    284.082  73.366  6.7962  74.553  3.5181  -1.187378      7.652785  
1 1 1 -1  47  23 o 51.404  4.0013  1450.52    221.020  1636.34    446.749  1390.30    254.324  53.640  7.9285  50.182  4.7351  3.458023       9.234859  
1 1 1 -1  47  24 o 71.905  3.3557  2818.79    261.345  3665.36    535.961  2554.70    299.345  81.146  6.1436  68.230  4.0692  12.91661       7.369030  
1 1 1 -1  47  25 o 102.558 2.9064  5729.80    322.845  5736.21    701.525  5728.08    363.640  101.277 6.4287  102.461 3.2768  -1.184196      7.215598  
1 1 1 -1  47  26 o 52.668  4.4468  1538.13    251.296  1745.79    488.689  1463.48    293.003  54.552  8.5520  51.091  5.3756  3.461048       10.10119  
1 1 1 -1  47  27 o 69.560  3.8345  2668.14    287.775  2453.87    551.855  2748.17    337.261  64.778  8.0382  70.384  4.4470  -5.605362      9.186307  
1 1 1 -1  47  28 o 21.292  7.7743  227.091    233.301  454.656    433.885  134.536    276.707  28.741  10.586  20.226  8.1703  8.514820       13.37188  
1 1 1 -1  47  29 f ?       ?       -335.7145  32.411   459.753    437.029  -340.1139  32.501   28.250  10.581  ?       ?       0.000000       10.58091  
1 1 1 -1  47  30 f 78.171  3.5519  3405.68    300.732  3157.35    608.843  3485.82    345.869  70.958  8.0653  78.642  4.0746  -7.684067      9.036105  
1 1 1 -1  47  31 o 67.870  6.0545  2755.56    440.397  0.0000     0.0000   2755.56    440.397  ?       ?       67.870  6.0545  0.000000       6.054512  
1 1 1 -1  47  32 o 30.710  9.4858  686.325    347.310  0.0000     0.0000   686.325    347.310  ?       ?       30.710  9.4858  0.000000       9.485832  
1 1 1 -1  47  33 o 20.886  8.8075  216.028    340.768  0.0000     0.0000   216.028    340.768  ?       ?       20.886  8.8075  0.000000       8.807530  
1 1 1 -1  48  1  o 296.877 5.9728  47789.92   1920.56  46201.75   3326.53  48583.99   2352.18  291.518 10.536  299.244 7.2573  -7.726105      12.79317  
1 1 1 -1  48  2  o 608.422 11.632  201441.91  7665.21  212213.70  13278.40 196058.20  9387.26  621.674 19.720  599.449 14.458  22.22461       24.45262  
1 1 1 -1  48  3  o 150.176 4.5756  12223.00   744.241  0.0000     0.0000   12223.00   744.241  ?       ?       150.176 4.5756  0.000000       4.575552  
1 1 1 -1  48  4  o 467.818 15.843  119682.10  8027.54  0.0000     0.0000   119682.10  8027.54  ?       ?       467.818 15.843  0.000000       15.84292  
1 1 1 -1  48  5  f 289.099 7.2626  45360.90   2274.11  45124.07   3218.53  45597.01   3213.64  288.025 10.317  289.539 10.248  -1.513947      14.54150  
1 1 1 -1  48  6  o 150.225 4.5807  12232.80   745.326  12141.08   1058.60  12322.95   1049.55  149.590 6.5337  150.710 6.4297  -1.120651      9.166837  
1 1 1 -1  48  7  o 179.178 4.1337  17400.16   802.219  17247.61   983.092  17704.20   1387.85  178.354 5.0891  180.597 7.0952  -2.242859      8.731575  
1 1 1 -1  48  8  o 385.769 7.6157  80824.60   3182.04  80550.46   3897.76  81372.40   5509.85  384.835 9.3513  385.971 13.180  -1.137054      16.16038  
1 1 1 -1  48  9  o 346.642 6.4984  65222.03   2439.83  66738.88   3204.59  63130.26   3763.21  350.374 8.4444  340.468 10.205  9.905731       13.24576  
1 1 1 -1  48  10 o 318.171 7.8542  55019.67   2706.67  56523.13   3830.58  53520.55   3825.05  321.939 10.986  313.213 11.275  8.725952       15.74209  
1 1 1 -1  48  11 o 177.552 5.0510  17099.59   971.349  18145.51   1381.53  16077.07   1365.99  182.769 6.9789  172.010 7.3321  10.75932       10.12245  
1 1 1 -1  48  12 o 267.475 5.5762  38824.80   1615.44  38566.54   2797.18  38954.05   1978.80  266.023 9.7080  267.781 6.8226  -1.758606      11.86566  
1 1 1 -1  48  13 o 196.526 3.8846  20938.83   826.873  21205.62   1171.33  20673.83   1167.43  197.668 5.4711  195.170 5.5227  2.498260       7.773837  
1 1 1 -1  48  14 o 294.447 5.2142  47052.73   1662.89  44988.70   2352.97  49112.27   2350.40  287.578 7.5542  300.526 7.2209  -12.94867      10.45024  
1 1 1 -1  48  15 o 142.387 3.3505  10990.51   516.719  10892.80   721.974  11093.12   739.856  141.684 4.7047  142.977 4.7776  -1.292480      6.705198  
1 1 1 -1  48  16 o 130.483 3.6088  9232.46    510.022  8726.98    861.944  9504.79    632.665  126.694 6.2814  132.351 4.4134  -5.657478      7.676841  
1 1 1 -1  48  17 o 170.527 3.5419  15771.76   654.188  15069.38   1302.46  16008.74   756.540  166.290 7.2315  171.762 4.0666  -5.472122      8.296493  
1 1 1 -1  48  18 o 130.240 3.1426  9199.67    443.305  8806.91    880.612  9332.98    513.055  126.972 6.4242  131.149 3.6118  -4.177292      7.369949  
1 1 1 -1  48  19 o 172.880 3.5762  16226.44   669.633  15878.63   1334.98  16343.37   774.056  170.358 7.2351  173.431 4.1207  -3.073090      8.326255  
1 1 1 -1  48  20 o 257.095 4.7030  35999.45   1309.61  36577.31   2617.39  35806.48   1512.56  256.974 9.4039  256.155 5.4518  0.8193970      10.86995  
1 1 1 -1  48  21 o 84.643  2.9892  3891.68    274.039  3213.97    528.263  4141.20    320.542  76.238  6.4582  87.276  3.3909  -11.03840      7.294257  
1 1 1 -1  48  22 o 135.234 3.3282  9950.16    487.497  9875.18    965.882  9975.79    564.700  133.793 6.6653  135.301 3.8534  -1.508041      7.699013  
1 1 1 -1  48  23 f 217.087 4.1363  25741.31   972.565  26543.35   1944.92  25473.89   1123.06  217.696 8.2486  215.634 4.8086  2.062531       9.547862  
1 1 1 -1  48  24 o 76.453  2.5527  3178.03    211.378  2788.25    536.453  3249.67    229.985  70.340  7.1404  77.286  2.7474  -6.945839      7.650705  
1 1 1 -1  48  25 o 13.600  6.0515  -60.8176   179.409  -387.7605  379.423  33.333     203.610  16.869  7.9593  16.325  6.8422  0.5439777      10.49602  
1 1 1 -1  48  26 o 53.258  4.2184  1569.79    241.346  1158.99    479.146  1709.44    279.375  43.458  10.331  55.452  4.6956  -11.99416      11.34817  
1 1 1 -1  48  27 o 61.508  3.7205  2086.54    246.695  2400.44    510.719  1991.01    281.744  64.325  7.4695  59.872  4.3750  4.453548       8.656472  
1 1 1 -1  48  28 o 41.136  5.4234  964.701    235.744  666.213    468.004  1066.19    272.895  32.786  11.087  43.041  6.0185  -10.25495      12.61497  
1 1 1 -1  48  29 o 55.435  4.3782  1728.67    260.739  2100.17    518.828  1603.14    301.590  58.411  8.4460  52.898  5.3368  5.513142       9.990875  
1 1 1 -1  48  30 o 30.083  8.3077  590.760    279.617  0.0000     0.0000   590.760    279.617  ?       ?       30.083  8.3077  0.000000       8.307726  
1 1 1 -1  48  31 f 41.409  8.2129  1121.77    355.343  0.0000     0.0000   1121.77    355.343  ?       ?       41.409  8.2129  0.000000       8.212934  
1 1 1 -1  48  32 o 22.606  9.2438  286.039    359.344  0.0000     0.0000   286.039    359.344  ?       ?       22.606  9.2438  0.000000       9.243829  
1 1 1 -1  48  33 o 16.598  7.6996  -107.2244  330.824  0.0000     0.0000   -107.2244  330.824  ?       ?       16.598  7.6996  0.000000       7.699649  
1 1 1 -1  49  1  o 124.574 4.1198  8409.64    555.871  9083.97    793.787  7760.75    778.670  129.436 5.6621  119.476 6.0369  9.959946       8.276711  
1 1 1 -1  49  2  o 164.305 6.8025  14646.04   1210.57  0.0000     0.0000   14646.04   1210.57  ?       ?       164.305 6.8025  0.000000       6.802488  
1 1 1 -1  49  3  o 111.820 5.7070  6797.80    688.890  0.0000     0.0000   6797.80    688.890  ?       ?       111.820 5.7070  0.000000       5.707037  
1 1 1 -1  49  4  o 200.432 7.7640  21810.37   1685.47  21810.37   1685.47  0.0000     0.0000   200.432 7.7640  ?       ?       0.000000       7.764001  
1 1 1 -1  49  5  o 185.002 5.1576  18556.52   1033.46  19177.13   1465.83  17943.14   1457.27  187.967 7.2000  181.807 7.4005  6.159698       10.32508  
1 1 1 -1  49  6  o 131.179 3.4606  9324.15    491.681  9310.34    603.761  9351.33    847.205  131.064 4.2532  131.300 5.9574  -0.2358704     7.319817  
1 1 1 -1  49  7  o 497.097 9.5924  134417.59  5164.63  133938.41  6326.21  135375.09  8942.96  495.650 11.784  496.658 16.625  -1.008636      20.37761  
1 1 1 -1  49  8  o 144.740 3.2309  11351.56   506.500  11357.72   715.303  11345.36   717.299  144.740 4.5628  144.661 4.5780  0.7931519E-01  6.463549  
1 1 1 -1  49  9  o 185.567 5.2067  18676.79   1046.49  18650.68   1480.47  18702.87   1479.45  185.295 7.3768  185.555 7.3613  -0.2602234     10.42145  
1 1 1 -1  49  10 o 379.513 9.2057  78398.80   3784.03  73955.99   5351.29  82842.05   5351.57  367.545 13.442  389.227 12.694  -21.68201      18.48899  
1 1 1 -1  49  11 o 153.068 4.6709  12706.29   774.389  12866.72   1097.49  12547.22   1092.83  153.925 6.5830  151.998 6.6381  1.926651       9.348771  
1 1 1 -1  49  12 f 72.838  2.6053  2874.47    205.538  2959.48    357.114  2832.36    251.341  73.737  4.4929  72.294  3.2099  1.442993       5.521772  
1 1 1 -1  49  13 o 205.729 4.2845  22951.95   954.708  22982.65   1274.75  22912.73   1440.77  205.758 5.7200  205.375 6.4770  0.3829498      8.641220  
1 1 1 -1  49  14 o 275.141 4.9078  41077.95   1462.57  40361.80   2069.66  41792.32   2067.10  272.453 7.0135  277.260 6.8834  -4.806610      9.827078  
1 1 1 -1  49  15 o 57.629  3.4491  1806.96    214.297  1661.44    317.970  1928.07    290.071  55.052  5.4023  59.438  4.5401  -4.386738      7.056692  
1 1 1 -1  49  16 o 153.536 3.8354  12786.01   637.801  11611.16   1093.52  13391.74   785.191  146.056 6.9125  157.076 4.6153  -11.01924      8.311639  
1 1 1 -1  49  17 o 228.798 4.8475  28434.39   1201.26  26321.90   2883.37  28878.07   1321.40  218.059 12.258  230.510 5.2927  -12.45091      13.35187  
1 1 1 -1  49  18 o 125.521 3.1027  8545.70    421.816  8966.26    829.245  8398.89    489.938  128.305 5.9672  124.402 3.6362  3.902458       6.987767  
1 1 1 -1  49  19 o 147.096 3.3708  11745.87   537.033  11067.26   1037.02  11994.55   627.768  142.273 6.7296  148.584 3.9008  -6.310638      7.778456  
1 1 1 -1  49  20 o 41.603  1.8795  938.266    84.691   1032.69    340.278  932.031    87.442   42.708  7.6366  41.464  1.9471  1.244244       7.880885  
1 1 1 -1  49  21 o 133.545 3.1675  9693.01    458.153  8658.18    904.227  10050.43   531.417  125.270 6.6886  135.912 3.6100  -10.64183      7.600583  
1 1 1 -1  49  22 o 166.733 3.5364  15137.20   638.638  14410.99   1280.85  15377.48   736.752  161.246 7.3340  167.909 4.0511  -6.662613      8.378464  
1 1 1 -1  49  23 o 57.110  2.1896  1770.75    135.440  1687.10    458.158  1778.76    141.777  54.384  8.0187  57.233  2.2871  -2.848721      8.338539  
1 1 1 -1  49  24 o 24.102  6.6299  333.451    178.491  77.413     284.421  499.801    229.256  19.767  8.1688  29.335  7.2557  -9.568905      10.92584  
1 1 1 -1  49  25 o 89.359  2.7658  4349.39    267.687  4376.84    618.561  4343.07    296.932  88.272  6.5158  89.234  3.0723  -0.9614258     7.203802  
1 1 1 -1  49  26 o 81.788  3.3556  3660.06    297.257  3720.03    585.862  3639.27    344.957  80.964  6.7422  81.406  3.9123  -0.4422379     7.795076  
1 1 1 -1  49  27 o 104.421 3.3224  5976.38    375.760  5989.86    729.565  5971.52    438.376  102.564 6.6026  104.149 3.8862  -1.585281      7.661346  
1 1 1 -1  49  28 o 41.496  1.6263  935.773    73.095   971.986    75.725   441.362    279.801  42.289  1.6533  27.150  8.5353  15.13846       8.693959  
1 1 1 -1  49  29 o 15.465  1.9878  132.555    32.525   -207.6215  419.487  134.612    32.623   18.841  8.7154  15.588  1.9766  3.252293       8.936749  
1 1 1 -1  49  30 o 28.599  8.0287  530.128    258.884  0.0000     0.0000   530.128    258.884  ?       ?       28.599  8.0287  0.000000       8.028680  
1 1 1 -1  49  31 o 50.314  2.5069  1395.14    136.616  0.0000     0.0000   1395.14    136.616  ?       ?       50.314  2.5069  0.000000       2.506946  
1 1 1 -1  49  32 o 30.057  9.3291  657.357    335.470  0.0000     0.0000   657.357    335.470  ?       ?       30.057  9.3291  0.000000       9.329144  
1 1 1 -1  49  33 o 44.846  8.4598  1391.08    395.850  0.0000     0.0000   1391.08    395.850  ?       ?       44.846  8.4598  0.000000       8.459784  
1 1 1 -1  50  1  o 130.574 3.5054  9237.83    495.756  9322.86    605.628  9065.15    863.097  131.158 4.2633  129.280 6.1639  1.877655       7.494635  
1 1 1 -1  50  2  o 324.468 7.9841  57164.74   2805.85  58147.68   3970.16  56183.86   3966.00  326.827 11.216  321.233 11.399  5.593781       15.99132  
1 1 1 -1  50  3  o 302.413 10.677  49767.03   3497.13  49767.03   3497.13  0.0000     0.0000   302.413 10.677  ?       ?       0.000000       10.67681  
1 1 1 -1  50  4  o 504.398 11.914  138638.50  6508.81  138638.50  6508.81  0.0000     0.0000   504.398 11.914  ?       ?       0.000000       11.91401  
1 1 1 -1  50  5  o 343.313 6.7968  63964.03   2527.35  63314.07   3096.11  65262.08   4375.40  341.378 8.3736  346.070 11.673  -4.691376      14.36580  
1 1 1 -1  50  6  o 88.023  3.2175  4198.09    306.755  4024.28    384.656  4501.74    508.423  86.168  4.1215  90.968  5.1816  -4.799858      6.620888  
1 1 1 -1  50  7  o 251.283 4.5813  34231.91   1246.86  33055.49   1763.95  35406.69   1762.71  246.785 6.5993  255.430 6.3714  -8.645264      9.173089  
1 1 1 -1  50  8  o 478.176 13.515  125065.30  6999.49  125411.30  8355.46  124251.10  12817.02 477.827 16.145  470.243 25.257  7.584381       29.97639  
1 1 1 -1  50  9  o 294.593 8.4702  47194.38   2702.65  48142.02   3280.72  45193.14   4767.53  297.261 10.190  286.511 15.420  10.74988       18.48256  
1 1 1 -1  50  10 o 188.198 5.2619  19213.77   1072.57  19362.45   1516.68  19065.02   1517.02  188.765 7.4183  187.305 7.4778  1.460571       10.53317  
1 1 1 -1  50  11 o 198.611 3.8759  21383.37   833.778  22321.25   1185.90  20466.57   1172.49  202.826 5.3983  194.204 5.5742  8.621475       7.759709  
1 1 1 -1  50  12 o 184.201 3.6898  18392.60   736.147  19451.58   1044.36  17346.87   1037.81  189.348 5.0924  178.793 5.3591  10.55475       7.392755  
1 1 1 -1  50  13 o 132.394 3.1563  9499.62    452.596  9905.27    649.861  9117.53    630.705  135.141 4.4398  129.653 4.4913  5.487305       6.315358  
1 1 1 -1  50  14 o 37.701  4.3516  781.230    174.434  545.945    252.281  996.743    241.448  31.060  7.5686  42.515  5.3627  -11.45528      9.275860  
1 1 1 -1  50  15 o 125.432 3.1499  8528.34    427.927  8580.48    619.047  8480.63    592.206  125.750 4.5451  125.025 4.3733  0.7247238      6.307413  
1 1 1 -1  50  16 o 106.434 3.4244  6142.89    394.760  6008.67    667.131  6215.20    489.693  104.965 5.8919  107.021 4.2246  -2.056404      7.249944  
1 1 1 -1  50  17 o 129.816 3.1061  9138.32    436.723  8412.01    859.831  9390.84    506.988  124.120 6.4178  131.570 3.5577  -7.450089      7.337987  
1 1 1 -1  50  18 o 105.006 2.9595  5980.44    336.591  5901.15    657.647  6008.58    391.795  103.913 5.8672  105.225 3.4377  -1.312012      6.800174  
1 1 1 -1  50  19 o 82.362  3.0078  3681.23    268.317  3447.42    520.753  3765.73    313.073  79.219  6.1166  83.274  3.4711  -4.054878      7.032833  
1 1 1 -1  50  20 f 91.254  2.9423  4521.27    290.809  4693.31    574.792  4462.08    337.142  92.461  5.7684  90.612  3.4352  1.849350       6.713793  
1 1 1 -1  50  21 o 102.525 3.0064  5711.89    333.853  6271.45    693.421  5543.04    380.907  106.723 6.0235  100.940 3.4841  5.782875       6.958514  
1 1 1 -1  50  22 o 36.559  1.4053  724.475    55.648   750.509    57.705   378.700    210.299  37.210  1.4318  25.776  7.2361  11.43341       7.376429  
1 1 1 -1  50  23 o 59.820  2.4781  1944.47    160.559  1911.38    202.922  1999.86    262.559  59.161  3.1785  60.366  4.0390  -1.205681      5.139686  
1 1 1 -1  50  24 o 35.368  1.4312  678.307    54.826   41.467     402.347  690.356    55.342   22.315  9.4975  35.680  1.4321  -13.36506      9.604906  
1 1 1 -1  50  25 o 94.503  3.2034  4875.50    327.884  4692.79    660.470  4935.26    377.716  91.257  6.7297  94.961  3.6724  -3.704277      7.666479  
1 1 1 -1  50  26 o 37.635  5.5548  804.679    219.625  408.582    429.702  944.743    255.522  28.279  10.511  40.701  5.9742  -12.42134      12.09061  
1 1 1 -1  50  27 o 46.211  2.1399  1162.35    107.102  1173.39    454.004  1161.70    110.212  43.527  9.8588  46.191  2.2030  -2.663647      10.10196  
1 1 1 -1  50  28 o 91.746  3.0187  4616.00    299.974  4526.25    475.040  4675.51    386.864  89.819  4.9016  91.961  3.8840  -2.142220      6.253912  
1 1 1 -1  50  29 o 14.926  6.6166  -36.6025   212.556  239.361    411.293  -137.1655  248.281  23.892  9.8434  14.720  6.7719  9.171935       11.94786  
1 1 1 -1  50  30 o 16.645  7.4084  -26.3523   269.097  0.0000     0.0000   -26.3523   269.097  ?       ?       16.645  7.4084  0.000000       7.408358  
1 1 1 -1  50  31 o 41.407  7.8160  1109.67    337.685  0.0000     0.0000   1109.67    337.685  ?       ?       41.407  7.8160  0.000000       7.815966  
1 1 1 -1  50  32 o 22.647  8.8516  316.528    314.584  0.0000     0.0000   316.528    314.584  ?       ?       22.647  8.8516  0.000000       8.851563  
1 1 1 -1  50  33 o 35.224  8.9708  897.999    343.174  0.0000     0.0000   897.999    343.174  ?       ?       35.224  8.9708  0.000000       8.970758  
1 1 1 -1  51  1  o 235.148 6.1457  29993.64   1565.24  30080.71   2215.23  29906.82   2211.94  235.298 8.6922  234.616 8.7045  0.6821289      12.30133  
1 1 1 -1  51  2  o 224.708 8.4197  27429.43   2049.19  27429.43   2049.19  0.0000     0.0000   224.708 8.4197  ?       ?       0.000000       8.419650  
1 1 1 -1  51  3  o 514.511 12.202  144310.91  6799.61  144310.91  6799.61  0.0000     0.0000   514.511 12.202  ?       ?       0.000000       12.20164  
1 1 1 -1  51  4  o 266.061 5.5045  38388.98   1586.25  38285.23   1944.20  38595.56   2743.38  265.608 6.7582  266.409 9.5075  -0.8012695     11.66473  
1 1 1 -1  51  5  o 64.213  3.2484  2239.82    225.192  1987.85    282.150  2682.00    373.769  60.403  4.3417  70.158  4.9505  -9.755325      6.584654  
1 1 1 -1  51  6  f 130.630 3.0739  9245.61    434.918  9220.35    617.683  9270.44    612.483  130.420 4.3727  130.775 4.3241  -0.3551636     6.149693  
1 1 1 -1  51  7  o 215.764 5.7751  25256.61   1349.62  24959.99   1910.77  25551.92   1906.53  214.295 8.2324  216.832 8.1180  -2.537018      11.56175  
1 1 1 -1  51  8  o 205.616 5.5751  22935.91   1241.59  23266.28   1757.77  22606.96   1754.00  206.914 7.8433  203.952 7.9402  2.961609       11.16084  
1 1 1 -1  51  9  o 372.172 9.0569  75381.51   3650.84  73967.63   5163.94  76794.44   5162.21  367.718 12.966  374.750 12.718  -7.031616      18.16206  
1 1 1 -1  51  10 o 330.036 5.7435  59111.71   2053.10  59453.32   2903.93  58770.29   2903.12  330.644 8.1088  328.732 8.1537  1.912384       11.49932  
1 1 1 -1  51  11 o 132.588 3.1494  9526.69    452.274  9596.38    646.564  9459.93    632.878  133.026 4.4875  132.080 4.4240  0.9465790      6.301529  
1 1 1 -1  51  12 o 265.715 4.8263  38300.12   1388.99  38890.95   1968.21  37713.93   1960.47  267.536 6.7923  263.447 6.8707  4.089691       9.661342  
1 1 1 -1  51  13 o 99.619  3.0197  5378.26    325.815  5327.89    473.273  5423.64    449.210  99.111  4.4088  100.007 4.1472  -0.8954544     6.052802  
1 1 1 -1  51  14 o 206.486 3.9734  23122.61   888.635  23383.86   1263.21  22866.65   1250.32  207.502 5.6206  205.194 5.6258  2.308182       7.952449  
1 1 1 -1  51  15 o 277.964 4.9327  41944.18   1485.06  43225.49   2102.86  40669.34   2097.54  281.854 6.8884  273.356 7.0845  8.497955       9.881314  
1 1 1 -1  51  16 o 84.292  3.0406  3852.04    277.595  3885.44    401.913  3821.57    383.866  84.491  4.4071  83.808  4.2427  0.6836548      6.117473  
1 1 1 -1  51  17 o 238.935 4.7152  31018.39   1220.24  30493.53   2281.54  31228.67   1444.14  235.911 8.9291  239.590 5.5651  -3.678787      10.52139  
1 1 1 -1  51  18 o 152.022 3.4388  12543.82   566.220  10918.26   1078.24  13162.77   665.342  141.323 7.0442  155.672 3.9461  -14.34892      8.074190  
1 1 1 -1  51  19 f 69.398  2.5028  2612.18    188.123  2276.29    427.371  2692.91    209.512  64.235  6.2207  70.451  2.7457  -6.215843      6.799662  
1 1 1 -1  51  20 o 84.922  2.8745  3915.89    264.396  4228.50    533.149  3813.94    304.473  87.741  5.6400  83.769  3.3558  3.972252       6.562866  
1 1 1 -1  51  21 o 170.074 3.5465  15742.60   653.288  17119.15   1316.70  15293.08   752.433  176.142 6.9017  167.476 4.1481  8.665894       8.052292  
1 1 1 -1  51  22 o 85.968  3.1752  4021.29    295.651  3813.40    593.553  4089.89    340.958  82.801  6.6751  86.635  3.6336  -3.833771      7.599981  
1 1 1 -1  51  23 o 92.912  2.8864  4697.39    290.471  4851.81    634.393  4656.42    326.732  93.394  6.3085  92.445  3.2632  0.9486084      7.102475  
1 1 1 -1  51  24 o 174.877 3.5914  16704.79   680.248  18841.74   1370.33  16006.00   783.616  183.630 6.8899  170.895 4.2335  12.73471       8.086615  
1 1 1 -1  51  25 o 32.549  5.5967  603.756    190.194  501.840    416.619  630.588    213.769  30.075  10.451  33.117  6.1872  -3.041965      12.14527  
1 1 1 -1  51  26 o 55.252  2.4499  1663.01    146.611  1684.30    171.324  1604.76    283.375  55.474  2.8611  53.588  4.9379  1.886368       5.706883  
1 1 1 -1  51  27 o 53.006  4.4767  1566.39    254.607  1500.94    480.642  1591.92    300.183  49.677  9.2741  53.145  5.2851  -3.468731      10.67433  
1 1 1 -1  51  28 o 4.2567  2.1436  -141.9977  45.268   -168.8394  45.897   816.425    274.260  4.0216  2.0404  36.977  7.1062  -32.95506      7.393320  
1 1 1 -1  51  29 o 6.6797  2.8855  -3.7359    38.178   459.066    426.635  -7.4719    38.332   27.435  10.415  6.5387  2.8571  20.89610       10.79957  
1 1 1 -1  51  30 o 52.637  6.3563  1667.30    355.044  0.0000     0.0000   1667.30    355.044  ?       ?       52.637  6.3563  0.000000       6.356349  
1 1 1 -1  51  31 o 20.340  8.4235  177.601    303.352  0.0000     0.0000   177.601    303.352  ?       ?       20.340  8.4235  0.000000       8.423543  
1 1 1 -1  51  32 o 19.732  8.5381  127.463    335.399  0.0000     0.0000   127.463    335.399  ?       ?       19.732  8.5381  0.000000       8.538135  
1 1 1 -1  51  33 o 38.383  8.5267  1031.11    345.263  0.0000     0.0000   1031.11    345.263  ?       ?       38.383  8.5267  0.000000       8.526657  
1 1 1 -1  52  1  o 507.089 12.022  140161.59  6602.80  143849.50  9338.88  136475.41  9336.65  512.125 16.836  498.655 17.287  13.46970       24.13099  
1 1 1 -1  52  2  o 220.547 4.7658  26368.98   1138.44  27282.69   1395.62  24551.92   1968.12  224.283 5.7452  212.568 8.5483  11.71451       10.29956  
1 1 1 -1  52  3  o 120.611 3.3494  7882.08    437.548  8513.98    540.052  6674.85    746.464  125.339 3.9781  110.744 6.2488  14.59537       7.407650  
1 1 1 -1  52  4  o 146.623 3.2139  11648.21   510.397  12106.13   724.651  11197.40   719.002  149.442 4.4770  143.720 4.6190  5.722748       6.432584  
1 1 1 -1  52  5  o 258.882 4.6921  36335.03   1315.66  37156.41   1862.69  35517.30   1858.55  261.652 6.5727  255.804 6.7081  5.847839       9.391420  
1 1 1 -1  52  6  o 153.745 4.6248  12815.46   770.127  13180.28   1094.90  12458.25   1083.44  155.832 6.4871  151.498 6.6028  4.334534       9.256271  
1 1 1 -1  52  7  o 150.607 4.6405  12298.48   756.980  12142.82   1080.14  12448.72   1061.18  149.556 6.6681  151.439 6.4696  -1.883011      9.290864  
1 1 1 -1  52  8  o 344.837 8.4361  64667.35   3150.83  65802.19   4457.85  63534.45   4454.06  347.144 11.856  341.062 12.057  6.082184       16.91003  
1 1 1 -1  52  9  o 119.007 3.0036  7674.08    387.159  7787.46    549.318  7562.16    545.750  119.850 4.2317  118.102 4.2664  1.747520       6.009143  
1 1 1 -1  52  10 o 199.158 3.8782  21501.19   836.559  22960.63   1184.36  20048.07   1181.79  205.717 5.3155  192.202 5.6769  13.51482       7.776987  
1 1 1 -1  52  11 o 171.437 3.5574  15930.53   660.557  15896.37   935.607  15964.48   932.738  171.177 5.0464  171.545 5.0201  -0.3679047     7.118084  
1 1 1 -1  52  12 o 478.521 8.0178  124603.50  4155.52  127929.80  5878.56  121281.30  5875.01  483.755 11.220  470.898 11.519  12.85706       16.07992  
1 1 1 -1  52  13 o 230.532 4.2638  28824.21   1064.62  30579.77   1512.50  27100.34   1498.79  237.287 5.8851  223.345 6.1957  13.94173       8.545250  
1 1 1 -1  52  14 o 177.156 3.8727  17019.78   743.082  16676.30   1009.45  17426.07   1097.86  175.252 5.3180  179.118 5.6590  -3.865524      7.765662  
1 1 1 -1  52  15 o 256.661 4.6857  35758.36   1302.58  36026.36   1845.22  35492.16   1839.04  257.320 6.6207  255.401 6.6481  1.919846       9.382494  
1 1 1 -1  52  16 f 142.297 3.3904  10981.64   522.534  11097.15   731.758  10861.45   746.410  142.945 4.7264  141.406 4.8735  1.538925       6.788918  
1 1 1 -1  52  17 o 74.229  2.9877  2988.17    240.206  3199.20    459.586  2908.86    281.753  76.469  5.5876  73.216  3.5530  3.253326       6.621560  
1 1 1 -1  52  18 o 112.784 2.9675  6901.23    362.501  5957.42    710.343  7233.57    421.521  104.268 6.3198  115.438 3.3713  -11.16947      7.162778  
1 1 1 -1  52  19 o 73.186  2.9417  2907.39    233.182  2345.53    445.247  3119.74    273.721  65.154  6.3917  75.787  3.3346  -10.63278      7.209257  
1 1 1 -1  52  20 o 45.052  3.6326  1111.22    175.751  951.737    334.511  1172.04    206.558  40.844  7.8467  46.199  4.1731  -5.354694      8.887369  
1 1 1 -1  52  21 o 72.311  3.2293  2843.97    252.920  3906.23    523.409  2520.37    288.886  84.160  5.7770  67.889  3.9458  16.27104       6.995926  
1 1 1 -1  52  22 o 139.938 3.2610  10660.33   494.255  11177.78   995.901  10491.23   569.315  142.215 6.4655  138.697 3.7898  3.518280       7.494306  
1 1 1 -1  52  23 o 19.785  6.8262  199.488    177.579  697.638    386.426  66.127     199.941  34.443  9.8582  16.947  6.9086  17.49594       12.03794  
1 1 1 -1  52  24 o 53.207  2.3794  1539.23    137.122  1691.46    469.409  1525.03    143.376  54.070  8.2789  52.950  2.5000  1.120300       8.648116  
1 1 1 -1  52  25 f 97.902  3.1040  5233.27    329.145  4961.98    673.726  5318.32    377.226  93.746  6.6790  98.576  3.5331  -4.829910      7.555921  
1 1 1 -1  52  26 o 30.971  6.6118  561.126    215.045  355.494    420.373  634.011    250.271  27.115  10.327  32.772  7.2434  -5.657019      12.61437  
1 1 1 -1  52  27 o 34.038  2.0582  632.833    75.522   1361.42    439.385  610.653    76.663   47.394  8.8860  33.424  2.1288  13.97045       9.137402  
1 1 1 -1  52  28 f 69.258  2.8470  2630.61    213.565  2343.21    282.954  3011.09    325.560  64.834  4.0497  73.496  4.1062  -8.661636      5.767189  
1 1 1 -1  52  29 o 36.645  6.0864  802.238    233.095  993.457    460.357  736.313    270.306  37.473  10.770  34.288  7.4882  3.185074       13.11743  
1 1 1 -1  52  30 o 28.754  9.1011  558.252    317.654  0.0000     0.0000   558.252    317.654  ?       ?       28.754  9.1011  0.000000       9.101134  
1 1 1 -1  52  31 o 34.153  9.2356  822.824    349.844  0.0000     0.0000   822.824    349.844  ?       ?       34.153  9.2356  0.000000       9.235558  
1 1 1 -1  52  32 o 46.958  7.1321  1419.91    351.336  0.0000     0.0000   1419.91    351.336  ?       ?       46.958  7.1321  0.000000       7.132090  
1 1 1 -1  53  1  o 441.117 10.564  105932.40  5047.43  105012.80  7137.87  106852.10  7138.42  438.021 15.045  441.881 14.915  -3.859497      21.18547  
1 1 1 -1  53  2  o 82.091  3.1871  3651.22    283.377  3483.10    350.711  3967.42    480.975  80.064  4.0576  85.377  5.2265  -5.313210      6.616634  
1 1 1 -1  53  3  o 107.636 2.8707  6276.71    334.673  6597.63    479.031  5970.70    467.768  110.332 4.0086  104.957 4.1148  5.375130       5.744591  
1 1 1 -1  53  4  o 208.503 3.9716  23562.19   896.916  24557.21   1270.69  22574.22   1266.18  212.781 5.5136  203.997 5.7306  8.784500       7.952363  
1 1 1 -1  53  5  o 110.461 3.9859  6613.42    476.878  7339.48    684.512  5928.71    664.737  116.325 5.4330  104.369 5.9046  11.95645       8.023837  
1 1 1 -1  53  6  f 63.115  4.0779  2168.23    277.277  2164.12    425.547  2171.26    365.521  62.828  6.3402  63.038  5.4058  -0.2096634     8.331915  
1 1 1 -1  53  7  o 149.772 4.6024  12162.73   746.596  11858.87   1059.26  12462.70   1052.47  147.793 6.6173  151.520 6.4131  -3.727600      9.214988  
1 1 1 -1  53  8  o 40.674  3.5889  903.588    156.482  884.617    218.947  923.398    223.729  40.054  5.1674  40.938  5.1604  -0.8838692     7.302914  
1 1 1 -1  53  9  o 258.283 4.7166  36177.84   1319.45  35943.46   1866.54  36411.94   1865.42  257.260 6.6987  258.937 6.6514  -1.676270      9.440039  
1 1 1 -1  53  10 o 140.936 3.2089  10764.19   489.829  11194.21   698.406  10347.89   687.175  143.676 4.4880  138.133 4.5930  5.542374       6.421698  
1 1 1 -1  53  11 o 238.208 4.3982  30771.78   1134.75  31135.86   1607.98  30410.58   1601.61  239.451 6.2000  236.641 6.2488  2.810455       8.802718  
1 1 1 -1  53  12 o 207.556 4.1977  23361.81   943.670  25174.46   1264.48  21083.16   1417.73  215.359 5.4210  196.971 6.6454  18.38843       8.576061  
1 1 1 -1  53  13 o 214.353 4.1042  24919.37   952.846  24924.95   1349.72  24913.82   1345.35  214.218 5.8172  214.172 5.7997  0.4594421E-01  8.214400  
1 1 1 -1  53  14 o 218.431 4.1192  25880.68   974.525  27181.22   1384.47  24603.47   1371.99  223.683 5.7145  212.784 5.9531  10.89911       8.251949  
1 1 1 -1  53  15 o 126.021 3.2063  8610.59    437.637  8812.30    631.117  8423.75    607.390  127.412 4.5733  124.576 4.5016  2.835960       6.417087  
1 1 1 -1  53  16 o 111.634 3.0661  6757.65    370.724  6721.71    540.750  6789.52    509.235  111.255 4.4875  111.834 4.2041  -0.5785980     6.149177  
1 1 1 -1  53  17 o 51.662  3.3583  1454.32    186.895  1204.65    349.426  1554.36    221.193  46.427  7.1806  53.368  3.8526  -6.940613      8.148840  
1 1 1 -1  53  18 o 113.418 2.9716  6979.99    365.043  6999.39    716.857  6973.20    424.157  113.105 5.8719  113.324 3.4557  -0.2182312     6.813264  
1 1 1 -1  53  19 o 113.575 2.9504  7003.18    362.945  5906.71    717.933  7379.61    420.658  103.630 6.4280  116.548 3.3324  -12.91765      7.240438  
1 1 1 -1  53  20 o 36.562  4.1491  737.623    161.398  613.831    293.461  791.305    193.249  32.646  8.2855  37.767  4.8353  -5.120911      9.593188  
1 1 1 -1  53  21 o 112.813 3.1398  6921.28    383.644  6830.90    778.130  6950.31    440.965  111.133 6.4928  112.974 3.6038  -1.841156      7.425869  
1 1 1 -1  53  22 o 89.403  3.1064  4350.12    300.801  4483.73    614.508  4308.02    344.954  89.850  6.3555  88.897  3.5826  0.9532242      7.295725  
1 1 1 -1  53  23 o 46.691  1.9683  1183.39    99.539   1538.05    430.869  1163.40    102.307  51.785  7.9349  46.291  2.0405  5.493893       8.193042  
1 1 1 -1  53  24 o 47.107  4.1378  1225.76    208.979  1185.07    448.142  1237.07    236.237  44.571  9.5691  47.197  4.6831  -2.626678      10.65361  
1 1 1 -1  53  25 o 47.613  4.1534  1255.24    212.045  637.078    458.049  1423.85    239.222  32.917  10.968  50.666  4.4031  -17.74860      11.81887  
1 1 1 -1  53  26 o 96.189  3.3103  5067.87    344.880  4979.43    677.153  5098.85    400.751  93.499  6.7317  96.294  3.8424  -2.795013      7.751102  
1 1 1 -1  53  27 o 56.110  4.3491  1754.60    262.243  1983.01    494.412  1665.18    309.344  57.773  8.1258  54.271  5.3315  3.502068       9.718730  
1 1 1 -1  53  28 o 12.360  5.8934  -255.5855  218.861  -518.1867  406.193  -148.1604  259.798  16.082  7.7613  15.070  6.9307  1.012185       10.40541  
1 1 1 -1  53  29 o 14.521  2.4646  118.853    37.377   30.890     434.841  119.508    37.516   21.239  9.4371  14.562  2.4668  6.677095       9.754128  
1 1 1 -1  53  30 o 20.514  8.7071  138.029    336.507  0.0000     0.0000   138.029    336.507  ?       ?       20.514  8.7071  0.000000       8.707088  
1 1 1 -1  53  31 o 21.265  8.5658  235.874    303.216  0.0000     0.0000   235.874    303.216  ?       ?       21.265  8.5658  0.000000       8.565784  
1 1 1 -1  53  32 o 20.405  8.4697  201.654    307.685  0.0000     0.0000   201.654    307.685  ?       ?       20.405  8.4697  0.000000       8.469679  
1 1 1 -1  54  1  o 111.773 4.0849  6771.42    494.524  6675.17    699.095  6867.82    699.631  110.774 5.8475  112.373 5.7677  -1.598572      8.213389  
1 1 1 -1  54  2  o 346.439 8.4819  65234.31   3182.65  63880.59   4500.62  66588.42   4501.26  342.172 12.144  349.402 11.894  -7.229767      16.99846  
1 1 1 -1  54  3  o 278.518 5.7720  42081.99   1741.22  41530.51   2132.90  43183.85   3014.87  276.563 7.1204  281.672 9.8822  -5.109497      12.18027  
1 1 1 -1  54  4  o 133.073 4.4063  9599.96    635.092  9416.86    911.961  9772.37    884.959  131.723 6.3921  134.200 6.0884  -2.476883      8.827638  
1 1 1 -1  54  5  o 82.463  3.9193  3685.75    350.054  3883.82    522.983  3524.99    471.165  84.414  5.7544  80.430  5.4406  3.983780       7.919152  
1 1 1 -1  54  6  o 115.380 4.1027  7216.37    512.714  7290.92    733.423  7145.12    717.029  115.768 5.8684  114.608 5.7951  1.159988       8.247501  
1 1 1 -1  54  7  o 76.776  2.7969  3193.67    232.577  3177.89    330.986  3209.06    326.879  76.462  4.0106  76.842  3.9408  -0.3799744     5.622683  
1 1 1 -1  54  8  o 237.232 4.4182  30514.87   1135.25  30056.38   1606.08  30972.68   1604.88  235.296 6.3021  238.865 6.2033  -3.568832      8.842896  
1 1 1 -1  54  9  o 160.699 3.3919  13995.72   590.381  13285.87   833.334  14711.02   836.525  156.507 4.9160  164.699 4.6894  -8.192001      6.793981  
1 1 1 -1  54  10 o 60.990  2.3958  2015.24    158.261  2169.19    293.388  1952.06    187.950  63.101  4.3187  60.021  2.8912  3.080547       5.197109  
1 1 1 -1  54  11 o 74.525  3.0036  3009.79    242.445  3145.00    354.072  2890.44    332.667  76.031  4.3174  72.886  4.2322  3.145355       6.045801  
1 1 1 -1  54  12 o 50.599  3.6570  1395.23    199.068  1287.14    297.908  1482.44    267.576  48.341  5.8059  52.051  4.8003  -3.710106      7.533358  
1 1 1 -1  54  13 o 177.236 3.6648  17032.04   703.517  16699.77   1001.98  17355.12   988.018  175.385 5.2747  178.808 5.1016  -3.422638      7.338163  
1 1 1 -1  54  14 f 167.586 3.5536  15229.36   645.023  16057.64   912.987  14403.93   911.416  171.982 4.9013  162.864 5.1668  9.118790       7.121694  
1 1 1 -1  54  15 o 125.021 3.1639  8474.80    428.428  8432.24    622.508  8513.10    590.532  124.622 4.6119  125.235 4.3536  -0.6136093     6.342193  
1 1 1 -1  54  16 o 5.8282  2.4503  1.9367     26.247   445.464    237.688  -3.5383    26.408   28.099  7.6184  5.5540  2.3995  22.54504       7.987324  
1 1 1 -1  54  17 o 88.825  3.3457  4281.87    321.876  4261.73    541.874  4292.85    400.113  88.257  5.6991  88.888  4.1560  -0.6301346     7.053469  
1 1 1 -1  54  18 o 169.017 3.4966  15516.25   640.106  13884.08   1271.88  16069.88   740.754  159.072 7.3822  171.932 3.9778  -12.86017      8.385688  
1 1 1 -1  54  19 o 31.293  4.7130  545.644    154.784  222.735    280.498  687.021    185.601  22.788  8.4883  35.134  5.0200  -12.34599      9.861643  
1 1 1 -1  54  20 o 47.513  3.4919  1234.72    178.436  1297.73    331.209  1208.95    211.801  48.149  6.5186  46.905  4.2140  1.244392       7.762090  
1 1 1 -1  54  21 o 39.470  2.1015  847.700    89.514   830.618    97.333   941.391    227.946  39.049  2.3116  41.124  5.2364  -2.075027      5.723938  
1 1 1 -1  54  22 o 23.177  6.7817  303.941    181.072  991.266    411.347  138.751    201.660  41.041  9.4492  18.725  7.1479  22.31586       11.84821  
1 1 1 -1  54  23 o 137.099 3.2623  10247.50   484.433  10437.36   976.069  10185.45   558.009  136.970 6.5794  136.530 3.7735  0.4396820      7.584703  
1 1 1 -1  54  24 o 148.292 3.4984  12019.33   561.899  12339.60   1100.69  11906.45   653.462  148.337 6.8509  147.344 4.0947  0.9928589      7.981286  
1 1 1 -1  54  25 o 80.224  3.2347  3518.31    281.064  2938.09    585.452  3692.08    320.401  71.430  7.6884  82.089  3.6036  -10.65900      8.491051  
1 1 1 -1  54  26 o 17.395  7.2084  62.334     222.345  -872.4190  406.533  461.290    265.589  14.256  7.0583  27.877  8.2295  -13.62105      10.84174  
1 1 1 -1  54  27 o 63.121  3.9484  2209.59    268.581  1698.19    521.704  2394.01    313.287  52.411  9.5419  65.511  4.4415  -13.10001      10.52496  
1 1 1 -1  54  28 o 80.658  3.5185  3602.17    307.379  4237.93    609.266  3385.10    356.007  84.899  6.6797  77.699  4.2464  7.200478       7.915184  
1 1 1 -1  54  29 o 73.819  4.2626  3083.26    339.358  0.0000     0.0000   3083.26    339.358  ?       ?       73.819  4.2626  0.000000       4.262589  
1 1 1 -1  54  30 o 55.386  6.1561  1843.85    363.049  0.0000     0.0000   1843.85    363.049  ?       ?       55.386  6.1561  0.000000       6.156065  
1 1 1 -1  54  31 o 25.759  8.9921  454.984    308.584  0.0000     0.0000   454.984    308.584  ?       ?       25.759  8.9921  0.000000       8.992138  
1 1 1 -1  54  32 o 22.422  9.0332  298.921    337.259  0.0000     0.0000   298.921    337.259  ?       ?       22.422  9.0332  0.000000       9.033151  
1 1 1 -1  55  1  o 52.001  4.2916  1475.79    239.553  1600.24    333.930  1343.84    343.847  54.002  5.8000  49.322  6.6021  4.679863       8.787983  
1 1 1 -1  55  2  o 216.138 5.7828  25343.69   1353.75  24747.09   1913.26  25941.81   1915.72  213.382 8.2784  218.489 8.0953  -5.107239      11.57866  
1 1 1 -1  55  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  55  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  55  5  o 352.198 8.5397  67455.41   3257.61  69781.08   4612.07  65140.01   4601.87  357.520 11.910  345.333 12.303  12.18658       17.12400  
1 1 1 -1  55  6  o 273.704 4.9236  40627.61   1459.61  41381.82   2066.56  39876.82   2061.85  276.043 6.9120  270.964 7.0255  5.078705       9.855581  
1 1 1 -1  55  7  o 139.415 3.2045  10532.48   483.878  10175.49   690.945  10876.07   677.857  136.984 4.6570  141.631 4.4189  -4.646439      6.419787  
1 1 1 -1  55  8  o 102.687 2.8739  5713.52    319.643  5491.27    449.958  5939.94    454.159  100.642 4.1278  104.676 4.0058  -4.034050      5.751991  
1 1 1 -1  55  9  o 62.730  3.0715  2132.37    208.688  2475.58    298.041  1802.25    292.300  67.449  4.0991  57.450  4.7398  9.999043       6.266496  
1 1 1 -1  55  10 o 286.780 5.1107  44621.60   1587.45  43440.07   2246.31  45800.36   2243.67  282.679 7.3368  290.287 7.1361  -7.607971      10.23487  
1 1 1 -1  55  11 o 125.565 3.1776  8545.11    432.154  8409.05    603.786  8688.03    618.805  124.513 4.4771  126.560 4.5143  -2.046974      6.357902  
1 1 1 -1  55  12 o 258.168 5.0291  36173.37   1406.25  36704.45   1860.80  35466.16   2147.30  259.852 6.6116  255.249 7.7671  4.602203       10.20002  
1 1 1 -1  55  13 o 61.810  2.5149  2070.21    168.363  2090.00    356.963  2064.55    190.934  61.806  5.3862  61.720  2.8562  0.8597565E-01  6.096654  
1 1 1 -1  55  14 o 214.477 4.1224  24957.94   957.634  25097.46   1360.30  24820.86   1348.37  214.874 5.8450  213.689 5.8258  1.184784       8.252502  
1 1 1 -1  55  15 o 112.307 3.0992  6839.13    376.991  7024.49    549.559  6674.37    518.121  113.743 4.4609  110.881 4.3142  2.861580       6.205798  
1 1 1 -1  55  16 f 98.285  3.0523  5239.27    324.925  5254.44    478.475  5226.28    442.640  98.341  4.4922  98.100  4.1659  0.2414246      6.126549  
1 1 1 -1  55  17 o 63.824  3.5271  2218.42    242.874  1987.83    400.353  2352.70    305.513  60.027  6.2494  65.645  4.3211  -5.617306      7.597837  
1 1 1 -1  55  18 o 45.042  2.0908  1099.96    102.000  1012.13    322.331  1109.73    107.526  42.361  7.2882  45.239  2.1945  -2.878525      7.611434  
1 1 1 -1  55  19 o 191.023 3.9186  19861.61   810.758  17315.83   1522.98  20868.38   957.747  176.972 7.9455  195.640 4.5198  -18.66876      9.141114  
1 1 1 -1  55  20 o 135.938 3.1975  10048.12   470.783  11020.41   976.978  9754.06    537.277  141.513 6.3741  133.841 3.7063  7.672134       7.373301  
1 1 1 -1  55  21 o 26.247  6.3488  395.007    178.517  686.044    425.804  332.943    196.633  34.504  10.475  24.261  7.0580  10.24337       12.63079  
1 1 1 -1  55  22 o 90.112  3.1088  4421.23    303.422  4488.00    646.177  4402.35    343.667  89.684  6.7006  89.849  3.5315  -0.1648560     7.574266  
1 1 1 -1  55  23 o 103.266 2.9350  5807.68    328.268  5813.82    720.580  5806.07    368.756  101.991 6.5578  103.175 3.2998  -1.184547      7.341254  
1 1 1 -1  55  24 f 57.210  3.6958  1798.92    227.786  2153.87    480.004  1695.76    258.780  61.376  7.3679  55.381  4.3492  5.995335       8.555778  
1 1 1 -1  55  25 o 71.191  2.2736  2758.00    175.311  2456.66    277.981  2957.01    225.898  66.778  3.8598  73.616  2.8332  -6.837387      4.787995  
1 1 1 -1  55  26 o 70.477  3.6657  2735.99    278.849  2267.29    542.726  2904.09    325.031  62.022  8.2863  72.442  4.1600  -10.41996      9.271923  
1 1 1 -1  55  27 o 79.355  3.6363  3472.48    312.534  3263.30    595.189  3552.12    367.237  74.520  7.4749  79.889  4.2595  -5.369461      8.603357  
1 1 1 -1  55  28 o 57.071  2.7597  1790.06    170.586  1500.00    519.864  1825.06    180.585  47.254  10.436  57.510  2.9086  -10.25671      10.83383  
1 1 1 -1  55  29 o 25.506  8.3542  413.724    266.163  0.0000     0.0000   413.724    266.163  ?       ?       25.506  8.3542  0.000000       8.354236  
1 1 1 -1  55  30 o 20.205  8.6588  120.282    338.605  0.0000     0.0000   120.282    338.605  ?       ?       20.205  8.6588  0.000000       8.658802  
1 1 1 -1  55  31 o 26.814  9.4778  509.959    343.529  0.0000     0.0000   509.959    343.529  ?       ?       26.814  9.4778  0.000000       9.477810  
1 1 1 -1  55  32 o 21.448  8.6322  260.193    307.664  0.0000     0.0000   260.193    307.664  ?       ?       21.448  8.6322  0.000000       8.632248  
1 1 1 -1  56  1  f 222.921 4.1563  26936.86   1003.53  27586.72   1417.95  26284.69   1420.46  225.493 5.8057  220.097 5.9586  5.396393       8.319345  
1 1 1 -1  56  2  o 95.552  5.5251  4969.26    569.372  0.0000     0.0000   4969.26    569.372  ?       ?       95.552  5.5251  0.000000       5.525134  
1 1 1 -1  56  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  56  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 -1  56  5  o 283.161 7.1294  43551.20   2186.55  42430.78   3088.81  44676.63   3095.70  279.059 10.219  286.389 9.9800  -7.330383      14.28415  
1 1 1 -1  56  6  o 301.482 5.3007  49306.02   1730.87  50107.03   2449.97  48507.82   2445.67  303.670 7.4488  298.770 7.5577  4.899963       10.61151  
1 1 1 -1  56  7  o 220.539 4.1564  26368.42   992.822  25627.53   1405.24  27106.85   1402.89  217.293 5.9708  223.491 5.7955  -6.198013      8.320973  
1 1 1 -1  56  8  o 78.647  2.9198  3351.57    248.717  3408.57    352.074  3294.79    351.406  79.184  4.1193  77.843  4.1833  1.341240       5.870995  
1 1 1 -1  56  9  o 273.949 4.9272  40710.51   1461.96  40967.58   2067.22  40453.28   2067.85  274.586 6.9508  272.851 6.9972  1.735046       9.862803  
1 1 1 -1  56  10 o 226.804 4.2614  27895.06   1046.82  28214.45   1482.12  27577.13   1478.75  227.948 6.0031  225.353 6.0584  2.594803       8.528922  
1 1 1 -1  56  11 o 327.119 5.6567  58100.66   2004.17  58679.00   2836.33  57523.95   2832.33  328.322 7.9760  325.060 8.0447  3.261902       11.32848  
1 1 1 -1  56  12 o 359.122 6.1575  70077.49   2395.08  70153.16   3389.33  70002.02   3384.97  358.713 8.7236  358.327 8.7218  0.3860779      12.33578  
1 1 1 -1  56  13 o 99.263  2.9583  5340.73    318.050  5328.23    455.423  5352.63    444.361  99.101  4.2429  99.332  4.1302  -0.2314148     5.921271  
1 1 1 -1  56  14 o 108.568 3.0779  6390.32    361.932  6214.82    525.406  6548.80    499.291  106.997 4.5337  109.854 4.1963  -2.856232      6.177662  
1 1 1 -1  56  15 o 26.836  5.9918  407.411    169.754  577.976    253.596  268.936    228.498  31.910  7.4694  22.978  7.7468  8.932119       10.76130  
1 1 1 -1  56  16 o 106.940 3.1121  6204.02    360.472  6539.70    529.550  5914.15    492.079  109.696 4.4570  104.326 4.3548  5.369942       6.231349  
1 1 1 -1  56  17 o 96.793  3.4252  5087.02    359.086  4975.99    608.276  5146.41    444.876  95.304  5.9221  97.290  4.2218  -1.986427      7.272891  
1 1 1 -1  56  18 o 44.365  3.5782  1076.66    170.476  598.923    318.357  1268.72    201.856  32.373  8.8335  48.141  3.9049  -15.76794      9.658080  
1 1 1 -1  56  19 o 57.003  3.1813  1771.35    195.632  1329.85    367.291  1946.21    231.150  48.621  7.1915  59.707  3.5911  -11.08564      8.038242  
1 1 1 -1  56  20 o 56.796  3.4144  1761.55    209.063  1958.69    495.838  1718.93    230.559  58.880  7.9807  56.043  3.8211  2.837097       8.848326  
1 1 1 -1  56  21 o 85.862  3.0980  4011.29    288.108  4189.64    615.938  3961.34    325.967  86.797  6.6013  85.266  3.5296  1.530968       7.485696  
1 1 1 -1  56  22 f 127.808 3.1790  8897.78    440.070  9912.04    905.541  8584.18    503.528  133.791 6.2490  125.405 3.7071  8.385918       7.265870  
1 1 1 -1  56  23 o 29.797  2.0063  484.308    64.372   469.050    67.191   654.750    224.570  29.307  2.1313  33.790  6.3697  -4.482557      6.716832  
1 1 1 -1  56  24 o 57.223  1.8122  1778.11    112.319  1460.28    171.845  2015.16    148.407  51.635  3.0869  60.874  2.2509  -9.238712      3.820359  
1 1 1 -1  56  25 o 25.509  7.1957  380.945    207.433  689.527    437.453  291.434    235.606  33.701  10.682  23.135  7.8661  10.56540       13.26554  
1 1 1 -1  56  26 o 27.173  7.8066  439.041    241.911  -35.9265   424.595  667.321    294.359  21.384  9.4218  33.240  8.2216  -11.85640      12.50459  
1 1 1 -1  56  27 o 58.330  4.1677  1898.79    261.567  1689.90    507.727  1974.26    305.182  52.073  9.3455  59.201  4.8008  -7.127510      10.50652  
1 1 1 -1  56  28 o 62.003  4.0803  2162.31    272.488  2152.33    534.313  2165.81    316.777  58.244  8.7395  61.631  4.7830  -3.386906      9.962765  
1 1 1 -1  56  29 o 27.912  9.2419  516.469    325.408  0.0000     0.0000   516.469    325.408  ?       ?       27.912  9.2419  0.000000       9.241949  
1 1 1 -1  56  30 o 17.108  7.7647  -64.1538   312.229  0.0000     0.0000   -64.1538   312.229  ?       ?       17.108  7.7647  0.000000       7.764737  
1 1 1 -1  56  31 o 20.164  8.4594  172.657    311.724  0.0000     0.0000   172.657    311.724  ?       ?       20.164  8.4594  0.000000       8.459357  
1 1 1 -1  56  32 o 14.934  7.0307  -189.8247  293.062  0.0000     0.0000   -189.8247  293.062  ?       ?       14.934  7.0307  0.000000       7.030749  
1 1 1 -1  57  1  o 304.769 7.5418  50462.39   2489.52  52997.11   3523.26  47934.96   3518.19  311.876 10.430  296.514 10.955  15.36148       15.12599  
1 1 1 -1  57  2  o 368.599 8.9304  73910.41   3565.31  76854.96   5044.39  70971.18   5039.83  375.083 12.417  360.312 12.914  14.77084       17.91518  
1 1 1 -1  57  3  o 191.509 7.5153  19926.32   1558.85  0.0000     0.0000   19926.32   1558.85  ?       ?       191.509 7.5153  0.000000       7.515303  
1 1 1 -1  57  4  f 232.072 6.1016  29230.56   1533.68  27775.44   2168.39  30687.19   2169.52  225.949 8.8605  237.549 8.4322  -11.59972      12.23150  
1 1 1 -1  57  5  o 333.940 8.2230  60637.54   2974.19  62760.38   4206.18  58514.79   4206.09  339.090 11.453  327.326 11.864  11.76385       16.48982  
1 1 1 -1  57  6  o 180.992 5.1391  17769.47   1007.44  18806.75   1431.26  16750.90   1418.29  186.061 7.1022  175.569 7.4584  10.49208       10.29901  
1 1 1 -1  57  7  o 228.340 4.8993  28279.93   1211.68  29457.49   1484.95  25933.85   2095.99  232.966 5.8850  218.279 8.8656  14.68648       10.64106  
1 1 1 -1  57  8  o 173.375 3.5364  16292.24   664.074  16671.05   940.944  15916.31   937.351  175.309 4.9555  171.289 5.0525  4.019913       7.077061  
1 1 1 -1  57  9  o 316.762 5.5646  54459.21   1909.14  53460.53   2700.58  55456.94   2699.29  313.481 7.9538  319.307 7.8050  -5.826447      11.14365  
1 1 1 -1  57  10 o 328.005 6.1633  58436.41   2189.59  59410.54   2879.52  57101.04   3371.44  330.384 8.0469  323.551 9.6206  6.833618       12.54231  
1 1 1 -1  57  11 o 262.020 4.7507  37251.23   1348.21  36774.55   1907.39  37727.17   1905.93  260.082 6.7711  263.442 6.6796  -3.360809      9.511322  
1 1 1 -1  57  12 o 348.563 6.0368  66019.46   2279.08  65952.41   3224.77  66086.37   3221.45  347.792 8.5607  348.150 8.5431  -0.3578796     12.09422  
1 1 1 -1  57  13 o 230.007 4.2681  28705.78   1063.27  28730.59   1508.99  28681.31   1498.44  229.878 6.0606  229.686 6.0233  0.1916809      8.544680  
1 1 1 -1  57  14 o 120.073 3.0852  7817.24    401.235  7802.98    573.187  7830.95    561.846  119.888 4.4142  120.109 4.3189  -0.2209930     6.175585  
1 1 1 -1  57  15 o 123.561 3.1568  8280.79    422.469  8610.96    616.911  7989.21    579.744  125.898 4.5241  121.277 4.4135  4.621193       6.320344  
1 1 1 -1  57  16 o 98.655  3.0515  5280.38    326.064  5135.99    480.706  5403.42    443.756  97.188  4.5666  99.724  4.1084  -2.536568      6.142725  
1 1 1 -1  57  17 o 91.002  3.0909  4495.24    304.648  4233.51    570.294  4599.75    360.376  87.824  6.0320  92.014  3.6160  -4.190079      7.032793  
1 1 1 -1  57  18 o 96.156  2.7647  5018.98    287.940  5051.55    596.069  5009.06    328.854  95.924  5.7639  96.026  3.1619  -0.1022110     6.574201  
1 1 1 -1  57  19 o 166.934 3.6388  15165.37   657.920  14270.40   1252.27  15506.59   773.236  160.799 7.1902  168.657 4.2329  -7.857452      8.343683  
1 1 1 -1  57  20 o 59.527  2.4300  1923.82    156.669  1987.36    498.880  1916.87    165.017  59.288  7.9709  59.410  2.5645  -0.1227264     8.373258  
1 1 1 -1  57  21 o 53.572  3.8970  1574.58    224.573  2016.66    490.831  1457.54    252.559  59.638  7.7843  51.402  4.5846  8.236561       9.034046  
1 1 1 -1  57  22 o 63.636  3.4768  2215.38    238.727  2623.26    530.607  2111.86    267.310  68.167  7.3002  62.025  4.0004  6.141972       8.324434  
1 1 1 -1  57  23 o 61.726  2.4329  2072.08    162.650  1450.57    521.207  2139.14    171.200  49.226  10.114  62.707  2.5207  -13.48102      10.42337  
1 1 1 -1  57  24 o 27.202  6.5798  431.286    191.742  184.200    452.204  485.447    211.716  25.183  10.342  28.816  6.8788  -3.632746      12.42073  
1 1 1 -1  57  25 o 88.995  3.0084  4327.92    289.977  4821.23    666.816  4212.87    322.020  92.078  6.7329  87.698  3.3902  4.380188       7.538258  
1 1 1 -1  57  26 o 86.234  3.4347  4083.72    320.797  2928.34    640.236  4471.02    370.687  70.120  8.6109  90.091  3.7989  -19.97074      9.411663  
1 1 1 -1  57  27 o 70.691  3.8451  2778.27    293.294  2308.00    556.372  2959.24    345.145  61.341  8.6115  72.673  4.4057  -11.33177      9.673052  
1 1 1 -1  57  28 o 44.490  2.3511  1087.61    112.892  832.470    482.891  1102.36    116.110  34.150  11.256  44.777  2.4029  -10.62760      11.50959  
1 1 1 -1  57  29 o 19.812  8.3940  115.248    311.856  0.0000     0.0000   115.248    311.856  ?       ?       19.812  8.3940  0.000000       8.394040  
1 1 1 -1  57  30 o 21.434  8.7549  222.195    321.875  0.0000     0.0000   222.195    321.875  ?       ?       21.434  8.7549  0.000000       8.754930  
1 1 1 -1  57  31 o 27.735  9.3911  556.379    335.805  0.0000     0.0000   556.379    335.805  ?       ?       27.735  9.3911  0.000000       9.391131  
1 1 1 -1  58  1  o 280.716 7.0373  42797.72   2139.66  45094.82   3028.64  40508.78   3023.25  287.778 9.7167  272.671 10.237  15.10706       14.11409  
1 1 1 -1  58  2  o 466.464 11.124  118687.50  5619.95  120814.30  7949.95  116563.00  7945.68  468.978 15.651  460.536 15.929  8.441833       22.33150  
1 1 1 -1  58  3  o 288.847 5.1060  45252.76   1597.43  45648.56   2260.06  44857.63   2258.16  289.887 7.1981  287.358 7.2554  2.529358       10.22028  
1 1 1 -1  58  4  o 257.433 4.6607  35936.81   1299.53  37745.83   1839.61  34134.85   1836.02  263.675 6.4415  250.714 6.7613  12.96132       9.338490  
1 1 1 -1  58  5  o 268.191 6.8343  39065.18   1985.22  41208.16   2807.84  36923.15   2807.22  275.091 9.4238  260.312 9.9566  14.77820       13.70922  
1 1 1 -1  58  6  o 218.769 5.8782  25976.07   1392.83  26730.32   1970.09  25222.32   1969.44  221.690 8.2048  215.319 8.4448  6.371567       11.77430  
1 1 1 -1  58  7  o 248.134 6.4336  33435.07   1729.07  33238.26   2444.43  33632.16   2446.12  247.059 9.1350  248.526 9.0873  -1.466766      12.88515  
1 1 1 -1  58  8  o 322.332 6.5126  56434.13   2273.69  56196.12   2784.71  56910.12   3938.11  321.409 7.9993  322.734 11.266  -1.325195      13.81712  
1 1 1 -1  58  9  o 44.406  3.9707  1077.65    188.961  1174.23    273.522  989.473    261.355  46.177  5.5822  42.290  5.8637  3.886860       8.095940  
1 1 1 -1  58  10 o 262.322 4.7673  37335.36   1354.50  37280.62   1916.81  37389.95   1914.30  261.883 6.7577  262.269 6.7389  -0.3864441     9.543602  
1 1 1 -1  58  11 o 214.521 4.3153  24962.82   1002.66  24735.90   1338.53  25252.93   1513.48  213.404 5.7910  215.543 6.4830  -2.138336      8.692788  
1 1 1 -1  58  12 o 177.640 3.7768  17113.66   726.672  17442.15   984.489  16720.47   1077.08  179.234 5.0713  175.430 5.6686  3.803467       7.605983  
1 1 1 -1  58  13 o 43.786  4.2252  1050.04    197.891  1026.19    310.778  1066.30    256.648  42.877  6.9283  43.956  5.5120  -1.078850      8.853443  
1 1 1 -1  58  14 o 194.278 3.8450  20481.88   809.078  20819.02   1152.91  20154.74   1135.70  195.671 5.4400  192.523 5.4464  3.147873       7.697868  
1 1 1 -1  58  15 o 72.950  2.6623  2885.49    210.357  2638.82    372.349  3001.12    254.938  69.482  4.9808  74.379  3.1646  -4.897552      5.901117  
1 1 1 -1  58  16 o 155.909 3.4135  13196.16   576.419  13210.90   822.083  13181.90   808.446  155.798 4.8717  155.639 4.7958  0.1591034      6.836194  
1 1 1 -1  58  17 o 58.317  3.3854  1853.54    212.913  1973.38    317.528  1755.64    286.990  59.972  4.9321  56.575  4.7268  3.396832       6.831383  
1 1 1 -1  58  18 o 117.899 3.0468  7550.58    389.071  7335.97    771.105  7623.88    450.639  115.507 6.1861  118.411 3.5137  -2.904099      7.114355  
1 1 1 -1  58  19 o 44.188  3.8429  1071.37    182.091  927.542    319.446  1140.60    221.621  40.316  7.5943  45.488  4.5597  -5.172218      8.857948  
1 1 1 -1  58  20 o 20.202  6.6761  215.691    169.833  80.073     414.358  243.074    186.192  23.358  9.7731  21.336  6.9873  2.022421       12.01402  
1 1 1 -1  58  21 o 40.411  4.5838  905.404    197.078  797.851    455.476  930.177    218.601  36.810  10.752  40.869  5.0455  -4.059265      11.87663  
1 1 1 -1  58  22 o 103.672 2.9785  5852.74    334.454  5790.27    739.732  5868.79    374.969  101.763 6.7497  103.742 3.3371  -1.978439      7.529619  
1 1 1 -1  58  23 o 14.382  6.1984  -9.6532    175.370  406.146    430.834  -92.2277   191.995  28.547  10.542  13.610  6.1410  14.93688       12.20047  
1 1 1 -1  58  24 o 17.872  6.8005  132.499    182.171  524.328    444.263  53.298     199.735  30.652  10.784  16.546  6.8423  14.10603       12.77169  
1 1 1 -1  58  25 o 29.325  6.7365  505.107    209.465  429.507    470.811  523.764    233.888  29.024  10.959  29.738  7.3126  -0.7133808     13.17492  
1 1 1 -1  58  26 o ?       ?       -228.6389  32.128   -39.9265   458.246  -229.5711  32.207   21.974  9.7294  ?       ?       0.000000       9.729438  
1 1 1 -1  58  27 o 41.021  5.6091  975.440    242.683  619.031    490.444  1091.00    279.268  31.093  11.284  43.147  6.1499  -12.05364      12.85123  
1 1 1 -1  58  28 o 35.386  6.5131  757.974    240.427  952.071    488.183  695.820    276.252  36.358  11.249  33.141  7.8219  3.216576       13.70110  
1 1 1 -1  58  29 o 37.743  9.0921  959.258    367.269  0.0000     0.0000   959.258    367.269  ?       ?       37.743  9.0921  0.000000       9.092076  
1 1 1 -1  58  30 o 29.816  9.7458  639.222    362.284  0.0000     0.0000   639.222    362.284  ?       ?       29.816  9.7458  0.000000       9.745757  
1 1 1 -1  58  31 o 24.684  9.2443  411.083    333.567  0.0000     0.0000   411.083    333.567  ?       ?       24.684  9.2443  0.000000       9.244291  
1 1 1 -1  59  1  o 29.619  6.1643  493.924    191.320  624.417    259.465  338.433    283.229  33.252  7.3954  25.756  8.6251  7.496584       11.36153  
1 1 1 -1  59  2  o 113.195 2.9107  6942.51    356.863  6753.41    505.555  7130.30    503.812  111.612 4.1820  114.688 4.0558  -3.075729      5.825718  
1 1 1 -1  59  3  o 183.684 3.6518  18286.86   726.515  18733.34   1028.65  17842.46   1026.25  185.841 5.1104  181.361 5.2244  4.479248       7.308270  
1 1 1 -1  59  4  o 133.992 3.1014  9728.75    450.098  9874.52    639.404  9585.56    633.703  134.952 4.3745  132.962 4.4004  1.990112       6.204779  
1 1 1 -1  59  5  o 301.979 5.2759  49472.90   1725.61  51562.28   2443.39  47393.82   2437.37  308.036 7.3235  295.281 7.6211  12.75555       10.56952  
1 1 1 -1  59  6  o 124.637 4.2991  8422.95    580.355  8179.56    819.634  8667.66    821.864  122.588 6.1932  126.362 6.0050  -3.774025      8.626437  
1 1 1 -1  59  7  o 155.725 4.7624  13153.41   803.256  13542.48   1144.12  12775.24   1128.00  157.891 6.6903  153.346 6.7915  4.545044       9.533374  
1 1 1 -1  59  8  o 189.573 5.3085  19502.68   1089.98  20607.93   1546.42  18411.47   1536.57  194.687 7.3337  183.981 7.7109  10.70583       10.64148  
1 1 1 -1  59  9  o 156.222 4.8035  13241.01   812.773  13798.49   1151.34  12687.21   1147.54  159.341 6.6712  152.768 6.9353  6.572784       9.623087  
1 1 1 -1  59  10 o 153.659 3.3892  12799.11   564.066  12837.91   804.438  12761.58   791.148  153.815 4.8286  153.361 4.7629  0.4539032      6.782410  
1 1 1 -1  59  11 o 173.577 3.6119  16336.46   679.048  16330.76   967.014  16342.00   953.760  173.437 5.1478  173.502 5.0753  -0.6571960E-01 7.229021  
1 1 1 -1  59  12 o 93.062  3.0314  4694.76    305.552  4797.88    440.601  4599.22    424.102  94.031  4.3262  92.067  4.2530  1.964134       6.066631  
1 1 1 -1  59  13 o 159.102 3.4383  13728.87   592.500  14077.55   841.628  13386.27   834.263  160.995 4.8266  156.984 4.9065  4.010254       6.882583  
1 1 1 -1  59  14 o 122.555 3.1411  8146.01    416.954  8515.64    594.734  7788.72    584.717  125.216 4.3852  119.743 4.5084  5.473511       6.289384  
1 1 1 -1  59  15 o 205.410 3.9916  22918.12   888.050  22914.12   1259.12  22922.08   1252.69  205.083 5.6685  205.125 5.6384  -0.4212952E-01 7.995214  
1 1 1 -1  59  16 o 76.828  2.7143  3202.02    225.861  3396.52    392.461  3105.69    276.181  78.867  4.6145  75.629  3.3716  3.238380       5.715027  
1 1 1 -1  59  17 o 79.922  3.1554  3469.18    273.143  3550.46    401.687  3399.26    372.526  80.591  4.6211  78.889  4.3770  1.702126       6.364984  
1 1 1 -1  59  18 o 18.476  6.1565  177.287    144.318  273.414    288.379  145.169    166.693  24.051  8.6642  18.003  6.5717  6.048510       10.87450  
1 1 1 -1  59  19 o 11.870  5.3802  -84.7650   149.283  -94.7433   463.840  -83.6120   157.672  22.432  9.8666  12.298  5.5557  10.13357       11.32327  
1 1 1 -1  59  20 o 57.668  2.4865  1806.30    155.306  1864.45    506.063  1800.26    163.181  57.166  8.4260  57.562  2.6173  -0.3962402     8.823125  
1 1 1 -1  59  21 o 13.827  6.0179  -25.9014   168.582  -74.7137   412.303  -16.1027   184.729  21.167  9.3066  14.694  6.3473  6.472954       11.26499  
1 1 1 -1  59  22 f 34.035  5.6942  656.792    202.489  612.060    453.582  667.925    226.290  32.815  10.914  34.161  6.3496  -1.346432      12.62628  
1 1 1 -1  59  23 o 39.199  4.8577  859.616    201.824  1173.12    472.681  789.718    223.192  44.034  10.123  37.321  5.7025  6.713318       11.61836  
1 1 1 -1  59  24 o 52.501  3.9778  1522.70    224.514  1141.69    514.331  1612.39    249.544  42.793  11.028  53.943  4.3070  -11.14983      11.83902  
1 1 1 -1  59  25 o 47.406  4.6707  1255.94    236.706  1208.84    508.353  1268.98    267.472  43.870  10.777  47.448  5.2949  -3.578144      12.00705  
1 1 1 -1  59  26 o 15.710  6.8122  -7.2017    214.431  -27.3397   462.252  -1.6800    242.049  22.108  9.7811  16.729  7.2459  5.378954       12.17264  
1 1 1 -1  59  27 o 42.863  2.2874  1007.48    105.810  698.170    522.740  1020.70    108.046  32.225  11.657  43.136  2.3211  -10.91139      11.88552  
1 1 1 -1  59  28 o 19.552  7.9398  150.116    262.805  0.0000     0.0000   150.116    262.805  ?       ?       19.552  7.9398  0.000000       7.939842  
1 1 1 -1  59  29 o 19.081  8.2501  71.612     312.672  0.0000     0.0000   71.612     312.672  ?       ?       19.081  8.2501  0.000000       8.250105  
1 1 1 -1  59  30 o 36.559  8.7868  916.449    343.624  0.0000     0.0000   916.449    343.624  ?       ?       36.559  8.7868  0.000000       8.786843  
1 1 1 -1  59  31 o 27.216  9.4169  532.028    338.067  0.0000     0.0000   532.028    338.067  ?       ?       27.216  9.4169  0.000000       9.416919  
1 1 1 -1  60  1  o 231.050 4.2798  28942.96   1071.03  29980.40   1515.91  27908.94   1513.41  235.031 5.9550  226.748 6.1623  8.282410       8.569445  
1 1 1 -1  60  2  o 378.208 6.4861  77666.81   2656.95  78129.63   3758.46  77204.47   3756.53  378.843 9.1597  376.583 9.2099  2.260437       12.98932  
1 1 1 -1  60  3  o 404.196 6.7949  88732.91   2974.71  90988.81   4208.09  86479.62   4205.65  408.735 9.5055  398.420 9.7459  10.31439       13.61382  
1 1 1 -1  60  4  o 143.222 3.1962  11115.89   495.808  11323.01   707.400  10915.89   695.119  144.503 4.5198  141.881 4.5234  2.621750       6.394491  
1 1 1 -1  60  5  o 163.762 3.4035  14534.52   603.686  15008.68   856.617  14066.66   850.895  166.352 4.7543  161.040 4.8783  5.311462       6.811889  
1 1 1 -1  60  6  o 130.917 3.0538  9287.69    433.023  9807.29    619.636  8791.72    605.386  134.488 4.2539  127.329 4.3897  7.158722       6.112663  
1 1 1 -1  60  7  o 192.903 4.3730  20180.15   913.678  20340.94   1583.20  20099.86   1118.79  193.403 7.5579  192.452 5.3673  0.9518433      9.269834  
1 1 1 -1  60  8  o 133.395 4.4732  9651.47    646.285  9824.28    922.315  9484.77    905.877  134.479 6.3322  132.135 6.3297  2.343933       8.953317  
1 1 1 -1  60  9  f 44.849  5.4105  1107.68    257.511  1251.54    347.712  932.939    383.223  47.479  6.9690  40.587  8.9575  6.892437       11.34915  
1 1 1 -1  60  10 o 67.534  4.4441  2484.94    323.253  2486.14    445.520  2483.60    469.738  67.360  6.1753  67.280  6.5284  0.8065796E-01  8.986278  
1 1 1 -1  60  11 o 335.957 5.8319  61333.92   2122.08  61025.45   3003.26  61641.50   2998.90  334.526 8.2888  336.226 8.2349  -1.699341      11.68412  
1 1 1 -1  60  12 o 225.372 4.2108  27563.27   1027.87  27996.30   1459.24  27136.82   1448.08  226.907 5.9376  223.389 5.9849  3.517380       8.430541  
1 1 1 -1  60  13 o 192.318 3.9272  20072.14   818.042  19814.80   1103.77  20385.77   1218.50  190.911 5.3380  193.572 5.8118  -2.661453      7.891187  
1 1 1 -1  60  14 o 140.044 3.2112  10639.33   487.077  10918.84   692.176  10365.16   685.534  141.753 4.5083  138.104 4.5830  3.648621       6.428761  
1 1 1 -1  60  15 o 114.128 3.0749  7067.45    380.096  6608.83    550.651  7484.85    525.317  110.231 4.6121  117.359 4.1327  -7.128296      6.192822  
1 1 1 -1  60  16 o 102.360 3.0564  5687.64    338.853  6028.89    499.023  5395.67    461.585  105.255 4.3773  99.585  4.2795  5.670174       6.121651  
1 1 1 -1  60  17 o 173.751 3.5603  16413.51   670.016  16997.57   960.261  15859.38   935.322  176.472 5.0239  170.450 5.0663  6.022095       7.134943  
1 1 1 -1  60  18 o 70.219  2.9814  2678.97    226.751  2991.50    453.658  2574.89    261.800  73.666  5.7309  68.708  3.5299  4.958435       6.730781  
1 1 1 -1  60  19 o 17.666  6.2987  148.042    152.036  -102.2909  374.522  197.435    166.360  19.896  8.8032  19.566  6.6100  0.3306770      11.00859  
1 1 1 -1  60  20 o 18.833  6.8408  163.653    180.302  387.474    404.778  108.252    201.384  28.197  10.249  17.991  7.0674  10.20654       12.44917  
1 1 1 -1  60  21 f 79.513  3.1916  3444.02    274.863  3505.52    594.729  3427.31    309.951  79.052  7.0190  79.255  3.6108  -0.2023010     7.893283  
1 1 1 -1  60  22 o 69.915  3.3616  2667.70    254.556  2901.86    557.841  2606.12    286.078  71.577  7.2977  68.918  3.8479  2.658966       8.250001  
1 1 1 -1  60  23 o 133.804 3.2986  9781.03    478.040  9888.00    975.973  9747.27    548.318  132.497 6.8240  133.385 3.7954  -0.8879395     7.808445  
1 1 1 -1  60  24 o 69.080  3.4761  2620.29    259.253  1895.02    571.942  2807.84    290.849  56.060  9.7749  71.429  3.7728  -15.36882      10.47775  
1 1 1 -1  60  25 o 40.873  5.0794  943.435    220.014  911.683    498.072  951.133    245.238  37.874  11.291  40.831  5.7008  -2.956821      12.64869  
1 1 1 -1  60  26 o 61.353  4.1209  2097.73    272.256  1734.52    561.912  2209.15    311.227  52.093  10.324  62.749  4.6117  -10.65562      11.30718  
1 1 1 -1  60  27 o 21.134  7.6417  245.500    224.620  772.847    490.639  105.665    252.651  33.313  11.351  18.608  7.6953  14.70504       13.71375  
1 1 1 -1  60  28 o 43.977  6.6132  1168.67    305.244  0.0000     0.0000   1168.67    305.244  ?       ?       43.977  6.6132  0.000000       6.613196  
1 1 1 -1  60  29 o 40.663  8.7352  1101.16    373.245  0.0000     0.0000   1101.16    373.245  ?       ?       40.663  8.7352  0.000000       8.735165  
1 1 1 -1  60  30 o 40.820  8.1795  1106.27    349.038  0.0000     0.0000   1106.27    349.038  ?       ?       40.820  8.1795  0.000000       8.179513  
1 1 1 -1  60  31 o 27.074  9.7201  530.093    362.662  0.0000     0.0000   530.093    362.662  ?       ?       27.074  9.7201  0.000000       9.720051  
1 1 1 -1  61  1  o 361.605 6.2260  70985.90   2438.43  70616.72   3449.07  71354.82   3447.85  360.216 8.8403  362.103 8.7911  -1.887543      12.46739  
1 1 1 -1  61  2  o 294.142 5.2069  46935.79   1658.85  47637.26   2346.40  46234.84   2345.54  296.083 7.3168  291.677 7.4246  4.405579       10.42397  
1 1 1 -1  61  3  o 329.540 5.7279  58936.34   2044.44  57909.68   2890.76  59963.73   2891.78  326.296 8.1796  332.057 8.0405  -5.760712      11.46974  
1 1 1 -1  61  4  o 668.536 11.044  244016.41  7997.22  247954.09  11310.82 240080.00  11308.73 671.240 15.558  660.323 15.812  10.91730       22.18249  
1 1 1 -1  61  5  o 156.664 3.3448  13301.86   567.549  13524.30   805.599  13082.66   799.703  157.908 4.7103  155.306 4.7541  2.601898       6.692391  
1 1 1 -1  61  6  o 397.529 6.7666  85865.10   2913.47  84932.54   4121.72  86796.34   4118.80  394.691 9.6416  399.029 9.5301  -4.337891      13.55667  
1 1 1 -1  61  7  o 291.173 5.1816  46008.65   1634.14  46672.43   2312.57  45346.66   2309.47  292.971 7.2879  288.765 7.3841  4.206635       10.37486  
1 1 1 -1  61  8  o 350.617 6.0549  66772.07   2299.37  66392.95   3252.54  67150.85   3251.07  349.093 8.6022  351.093 8.5494  -1.999695      12.12806  
1 1 1 -1  61  9  o 145.196 4.6006  11437.86   723.496  11760.82   1021.55  11112.82   1024.82  147.105 6.4115  142.978 6.6177  4.126572       9.214190  
1 1 1 -1  61  10 o 302.358 7.5830  49784.79   2483.32  50316.20   3512.26  49253.57   3511.64  303.136 10.697  299.883 10.812  3.253387       15.20934  
1 1 1 -1  61  11 o 138.588 4.5929  10425.20   689.411  11217.82   981.422  9653.07    968.652  143.615 6.3094  133.013 6.7457  10.60155       9.236500  
1 1 1 -1  61  12 o 248.224 6.4614  33543.30   1737.17  34914.75   2460.59  32180.42   2452.88  252.629 8.9926  242.439 9.3412  10.19049       12.96632  
1 1 1 -1  61  13 o 101.368 3.0149  5572.26    331.011  6058.12    477.531  5122.91    459.244  105.628 4.1740  97.122  4.3657  8.506554       6.040007  
1 1 1 -1  61  14 o 35.783  4.9367  709.517    186.237  1041.27    283.785  458.552    246.824  43.260  6.2369  28.486  7.7802  14.77373       9.971428  
1 1 1 -1  61  15 o 179.758 3.6710  17552.02   714.731  17550.00   1014.40  17554.02   1007.21  179.471 5.2185  179.500 5.1807  -0.2844238E-01 7.353337  
1 1 1 -1  61  16 o 156.368 3.4041  13283.72   576.526  13345.52   822.136  13223.92   808.692  156.474 4.8510  155.772 4.7932  0.7025757      6.819584  
1 1 1 -1  61  17 o 34.275  4.8258  653.389    174.189  690.075    263.154  624.781    232.387  34.778  7.2222  33.145  6.7036  1.633343       9.853854  
1 1 1 -1  61  18 o 41.984  4.6831  974.173    209.324  898.834    341.840  1019.37    264.770  39.533  8.2501  42.721  5.8778  -3.187679      10.12981  
1 1 1 -1  61  19 o 114.369 3.1419  7114.87    389.194  7503.11    781.303  6986.73    448.846  116.550 6.2116  113.246 3.6593  3.304329       7.209371  
1 1 1 -1  61  20 o 199.191 3.9111  21658.49   843.790  22331.36   1694.33  21436.57   973.036  199.900 7.8255  197.896 4.5396  2.004227       9.046965  
1 1 1 -1  61  21 o 137.739 3.3224  10342.78   495.656  10529.97   998.825  10281.62   570.910  137.589 6.7025  137.178 3.8425  0.4109192      7.725812  
1 1 1 -1  61  22 o 68.359  3.3805  2551.43    250.291  2826.03    555.787  2481.58    280.325  70.532  7.3848  67.225  3.8663  3.306374       8.335703  
1 1 1 -1  61  23 o 100.643 3.2013  5532.53    348.964  5717.00    725.739  5477.06    397.993  100.672 6.6939  100.001 3.6745  0.6710205      7.636158  
1 1 1 -1  61  24 o 62.362  2.7144  2121.12    183.339  2568.72    554.658  2066.22    194.258  66.539  7.8472  61.516  2.9156  5.023273       8.371322  
1 1 1 -1  61  25 o 78.738  3.4940  3405.60    297.974  3626.25    624.060  3340.45    339.129  79.067  7.3722  77.696  4.0439  1.370842       8.408445  
1 1 1 -1  61  26 o 23.998  7.5336  342.504    218.069  126.606    483.587  397.613    244.320  24.019  10.322  25.656  7.9612  -1.637260      13.03556  
1 1 1 -1  61  27 o 52.183  4.6872  1552.10    262.094  1648.96    542.421  1522.59    299.361  49.333  10.475  51.222  5.4810  -1.888981      11.82236  
1 1 1 -1  61  28 o 63.074  5.6202  2327.63    379.923  0.0000     0.0000   2327.63    379.923  ?       ?       63.074  5.6202  0.000000       5.620202  
1 1 1 -1  61  29 o 18.261  8.0604  21.249     312.166  0.0000     0.0000   21.249     312.166  ?       ?       18.261  8.0604  0.000000       8.060366  
1 1 1 -1  61  30 o 46.798  7.3828  1403.32    361.805  0.0000     0.0000   1403.32    361.805  ?       ?       46.798  7.3828  0.000000       7.382801  
1 1 1 -1  62  1  o 165.376 3.4564  14822.83   619.109  14997.86   874.675  14647.09   876.433  166.286 4.8565  164.326 4.9243  1.959671       6.916189  
1 1 1 -1  62  2  o 231.759 4.2829  29123.61   1075.10  30225.03   1520.26  28021.72   1520.58  235.967 5.9484  227.182 6.1797  8.784576       8.577391  
1 1 1 -1  62  3  o 423.786 7.1704  97600.47   3291.24  98573.77   4654.82  96627.42   4654.22  425.162 10.108  420.914 10.209  4.247467       14.36668  
1 1 1 -1  62  4  f 295.376 5.2095  47338.92   1666.63  48904.25   2358.70  45778.18   2355.24  299.952 7.2603  290.172 7.4939  9.780090       10.43409  
1 1 1 -1  62  5  o 211.876 4.0286  24339.73   924.507  24583.38   1309.70  24097.75   1305.21  212.809 5.6821  210.694 5.7195  2.115677       8.062229  
1 1 1 -1  62  6  o 265.413 4.7323  38214.71   1360.40  40146.56   1927.28  36296.33   1920.54  271.826 6.5461  258.421 6.8616  13.40494       9.483326  
1 1 1 -1  62  7  o 328.211 5.7216  58490.39   2033.94  56601.18   2876.47  60379.46   2876.37  322.415 8.2371  333.059 7.9736  -10.64389      11.46420  
1 1 1 -1  62  8  o 466.870 7.8778  118661.90  3983.57  118320.00  5634.29  119003.60  5632.96  464.961 11.188  466.318 11.153  -1.356476      15.79735  
1 1 1 -1  62  9  o 142.483 3.3002  11005.49   509.293  10577.88   730.060  11410.86   710.822  139.606 4.8282  145.018 4.5255  -5.411896      6.617523  
1 1 1 -1  62  10 o 270.823 6.9257  39917.39   2031.50  40216.32   2870.06  39617.23   2875.91  271.172 9.7718  269.119 9.8664  2.052979       13.88653  
1 1 1 -1  62  11 f 383.788 9.3361  80588.59   3880.86  83316.72   5491.86  77867.40   5484.88  388.342 13.057  375.173 13.498  13.16891       18.77955  
1 1 1 -1  62  12 o 288.515 7.2846  45409.51   2276.37  46825.95   3227.03  44006.61   3211.58  291.959 10.205  282.924 10.480  9.035400       14.62807  
1 1 1 -1  62  13 o 47.482  6.0804  1248.19    305.520  1549.70    508.110  1077.45    382.362  52.367  9.2990  43.635  8.3952  8.732380       12.52801  
1 1 1 -1  62  14 o 87.272  2.7567  4130.92    260.576  3968.05    408.202  4242.94    338.521  85.317  4.4327  88.404  3.5355  -3.086334      5.669926  
1 1 1 -1  62  15 o 81.464  3.0894  3602.38    272.590  3703.66    402.573  3516.63    370.430  82.367  4.5300  80.289  4.2751  2.077255       6.228720  
1 1 1 -1  62  16 o 33.938  5.1708  642.768    184.066  908.794    286.683  456.190    240.088  40.149  6.8377  28.304  7.6496  11.84489       10.26008  
1 1 1 -1  62  17 o 33.458  2.2086  609.895    79.584   1014.91    284.023  575.386    82.905   42.543  6.3589  32.477  2.3733  10.06604       6.787378  
1 1 1 -1  62  18 o 73.671  2.8473  2948.76    227.195  3208.38    475.216  2871.84    258.672  76.248  5.7977  72.665  3.2867  3.583481       6.664490  
1 1 1 -1  62  19 o 113.114 3.0108  6958.77    368.870  6396.73    773.685  7124.11    419.635  107.355 6.6870  114.384 3.3871  -7.029068      7.495921  
1 1 1 -1  62  20 o 120.853 3.1412  7951.89    411.179  7775.88    841.099  8007.16    471.340  118.273 6.5921  121.174 3.5913  -2.900551      7.506849  
1 1 1 -1  62  21 o 80.144  3.2386  3501.61    281.127  3518.09    575.549  3496.44    322.174  79.189  6.7756  80.001  3.7181  -0.8115845     7.728724  
1 1 1 -1  62  22 o 28.748  6.4716  478.880    196.648  878.905    452.459  385.720    218.349  38.078  10.587  25.828  7.4157  12.25076       12.92606  
1 1 1 -1  62  23 o 17.381  1.8201  165.853    33.756   -211.2415  447.717  168.009    33.852   20.300  9.2459  17.495  1.8128  2.804752       9.421914  
1 1 1 -1  62  24 o 40.443  4.9961  920.302    214.197  653.389    489.787  983.422    238.181  33.167  11.341  41.699  5.4005  -8.532276      12.56135  
1 1 1 -1  62  25 o 20.748  1.6370  235.359    36.490   53.982     470.165  236.458    36.600   23.321  10.100  20.797  1.6381  2.523733       10.23183  
1 1 1 -1  62  26 o 60.747  4.1797  2067.26    273.330  1803.66    566.465  2147.25    312.062  52.566  10.318  61.643  4.7096  -9.077190      11.34179  
1 1 1 -1  62  27 o 17.981  3.0544  183.163    57.358   158.201    58.889   644.550    253.177  16.608  3.3884  32.163  7.4189  -15.55501      8.156101  
1 1 1 -1  62  28 o 61.005  5.9489  2200.96    388.071  0.0000     0.0000   2200.96    388.071  ?       ?       61.005  5.9489  0.000000       5.948899  
1 1 1 -1  62  29 o 15.628  7.2679  -161.5285  297.660  0.0000     0.0000   -161.5285  297.660  ?       ?       15.628  7.2679  0.000000       7.267869  
1 1 1 -1  62  30 o 27.445  9.3591  532.206    333.542  0.0000     0.0000   532.206    333.542  ?       ?       27.445  9.3591  0.000000       9.359116  
1 1 1 -1  63  1  o 99.326  2.8238  5345.73    303.787  5351.23    431.652  5340.33    427.617  99.349  4.0114  99.249  3.9780  0.1003647      5.649401  
1 1 1 -1  63  2  o 282.150 5.0188  43188.63   1533.74  44118.81   2171.15  42262.06   2166.93  284.929 7.0353  278.849 7.1747  6.079498       10.04851  
1 1 1 -1  63  3  o 356.871 6.1183  69156.04   2364.90  72104.10   3346.02  66213.42   3342.92  363.948 8.4883  348.686 8.8516  15.26184       12.26383  
1 1 1 -1  63  4  o 199.427 3.8752  21562.22   837.043  21738.78   1185.90  21386.94   1181.62  200.132 5.4710  198.503 5.4959  1.628189       7.754775  
1 1 1 -1  63  5  o 263.077 4.7412  37545.59   1350.94  39143.39   1912.82  35955.42   1908.24  268.402 6.5799  257.204 6.8499  11.19769       9.498218  
1 1 1 -1  63  6  o 254.423 4.6047  35114.61   1268.90  35969.99   1796.62  34263.26   1792.38  257.296 6.4469  251.098 6.5904  6.197006       9.219382  
1 1 1 -1  63  7  o 290.167 5.1463  45698.17   1617.38  47233.39   2289.35  44168.38   2285.30  294.693 7.1725  284.930 7.4052  9.762146       10.30930  
1 1 1 -1  63  8  o 171.748 3.5706  15992.97   664.214  15690.21   944.186  16289.60   934.569  170.009 5.1276  173.237 4.9808  -3.228607      7.148492  
1 1 1 -1  63  9  o 215.915 4.1217  25289.87   963.894  25085.42   1364.24  25493.66   1362.07  214.854 5.8624  216.603 5.8058  -1.748322      8.250796  
1 1 1 -1  63  10 o 98.132  3.0722  5220.63    326.540  5159.44    474.789  5275.56    449.816  97.496  4.4962  98.601  4.2120  -1.104713      6.160858  
1 1 1 -1  63  11 o 180.061 4.2386  17599.10   826.631  18455.69   1438.72  17176.97   1009.98  183.985 7.2198  177.779 5.2452  6.206024       8.923999  
1 1 1 -1  63  12 o 210.537 5.7487  24126.55   1310.90  24631.31   1858.28  23626.54   1849.53  212.205 8.0851  207.798 8.2177  4.407303       11.52818  
1 1 1 -1  63  13 o 167.927 5.0264  15342.48   914.221  15196.20   1300.85  15485.24   1285.10  166.719 7.2040  168.331 7.0486  -1.612045      10.07869  
1 1 1 -1  63  14 o 129.571 4.5175  9133.12    633.983  10035.36   928.816  8346.08    867.497  135.527 6.3275  123.396 6.5138  12.13118       9.081161  
1 1 1 -1  63  15 o 58.693  5.2647  1894.21    331.123  1917.99    469.437  1870.67    467.130  58.599  7.5736  57.844  7.6433  0.7551804      10.76005  
1 1 1 -1  63  16 o 63.931  3.3956  2227.74    234.283  2207.70    357.454  2242.82    310.200  63.359  5.2563  63.993  4.5042  -0.6343956     6.922202  
1 1 1 -1  63  17 o 80.706  3.1154  3539.95    272.330  3494.45    397.145  3580.32    374.148  79.888  4.6094  80.926  4.2838  -1.038651      6.292688  
1 1 1 -1  63  18 o 143.727 3.8084  11255.71   592.861  11553.06   1042.83  11113.72   720.650  144.712 6.6533  142.600 4.6659  2.111374       8.126331  
1 1 1 -1  63  19 o 92.004  3.1152  4606.12    310.428  4917.13    634.784  4508.36    355.886  94.182  6.2584  90.947  3.6129  3.235283       7.226385  
1 1 1 -1  63  20 o 41.669  4.5436  962.121    201.739  604.831    509.878  1028.44    219.665  33.328  11.563  43.044  4.7931  -9.716293      12.51701  
1 1 1 -1  63  21 o 34.504  5.1691  669.824    187.230  869.794    416.529  619.189    209.599  38.137  9.9714  32.918  6.1036  5.219662       11.69108  
1 1 1 -1  63  22 o 10.093  3.7849  41.588     55.954   593.262    410.542  31.146     56.481   31.945  10.371  9.6314  3.7544  22.31393       11.02994  
1 1 1 -1  63  23 o 59.384  3.8068  1942.52    243.560  2206.20    536.932  1874.20    273.294  61.501  8.2702  58.171  4.3696  3.330368       9.353568  
1 1 1 -1  63  24 o 49.226  4.6750  1353.46    246.266  620.058    515.051  1570.82    280.394  32.612  11.597  52.971  4.9444  -20.35870      12.60683  
1 1 1 -1  63  25 o 85.693  3.3631  4037.66    312.148  3439.95    663.856  4207.32    353.685  76.002  8.1942  87.319  3.7397  -11.31778      9.007194  
1 1 1 -1  63  26 o 30.081  1.4149  491.859    46.100   239.272    487.949  494.134    46.307   25.133  10.566  30.150  1.4180  -5.017384      10.66055  
1 1 1 -1  63  27 o ?       ?       -218.7965  36.365   -232.1085  36.769   377.443    246.074  ?       ?       24.696  8.0300  0.000000       8.030046  
1 1 1 -1  63  28 o 19.888  8.2201  148.687    288.056  0.0000     0.0000   148.687    288.056  ?       ?       19.888  8.2201  0.000000       8.220119  
1 1 1 -1  63  29 o 36.816  8.1717  895.360    317.352  0.0000     0.0000   895.360    317.352  ?       ?       36.816  8.1717  0.000000       8.171746  
1 1 1 -1  63  30 o 17.998  8.1085  -18.1843   333.197  0.0000     0.0000   -18.1843   333.197  ?       ?       17.998  8.1085  0.000000       8.108476  
1 1 1 -1  64  1  o 326.807 5.6910  57977.45   2014.42  56815.93   2849.46  59137.93   2848.18  323.115 8.1421  329.684 7.9763  -6.568817      11.39800  
1 1 1 -1  64  2  o 203.356 3.9271  22421.05   864.971  22840.20   1223.17  22001.79   1223.34  205.134 5.5053  201.325 5.6102  3.808945       7.860164  
1 1 1 -1  64  3  o 76.702  2.8590  3188.02    237.511  3172.92    337.849  3202.77    333.967  76.385  4.0986  76.750  4.0316  -0.3645096     5.749104  
1 1 1 -1  64  4  o 173.311 3.5600  16282.37   668.258  16635.83   945.904  15930.17   944.216  175.099 4.9876  171.338 5.0880  3.760590       7.124892  
1 1 1 -1  64  5  o 111.854 2.9665  6780.23    359.389  6521.10    509.157  7037.53    507.352  109.653 4.2871  113.919 4.1119  -4.265907      5.940249  
1 1 1 -1  64  6  o 93.847  2.8863  4772.94    293.378  4503.83    423.912  5020.33    406.439  91.124  4.2951  96.221  3.8999  -5.096298      5.801472  
1 1 1 -1  64  7  o 176.960 3.6202  16978.88   693.870  17175.55   987.386  16787.01   975.288  177.876 5.1251  175.853 5.1205  2.023026       7.244726  
1 1 1 -1  64  8  o 140.036 3.2198  10630.69   488.365  11032.58   698.044  10245.38   683.491  142.588 4.5199  137.402 4.5927  5.185654       6.443797  
1 1 1 -1  64  9  o 118.589 3.0588  7623.75    392.888  7479.47    558.247  7765.36    553.045  117.398 4.3903  119.627 4.2683  -2.229500      6.123210  
1 1 1 -1  64  10 o 119.260 3.0828  7711.55    398.214  7572.63    568.774  7845.12    557.709  118.106 4.4463  120.223 4.2830  -2.116745      6.173618  
1 1 1 -1  64  11 o 220.963 4.1604  26506.72   995.693  25938.43   1412.16  27068.57   1404.12  218.296 5.9727  223.031 5.8126  -4.734879      8.334205  
1 1 1 -1  64  12 o 145.664 3.2761  11511.73   516.872  11677.16   740.992  11354.97   721.338  146.570 4.6677  144.540 4.6077  2.029373       6.558783  
1 1 1 -1  64  13 o 55.375  5.4088  1686.01    320.258  1849.48    520.385  1586.35    406.318  57.400  8.6380  53.375  7.2132  4.024982       11.25363  
1 1 1 -1  64  14 o 114.280 4.3505  7105.23    538.495  7592.58    777.409  6655.73    746.617  117.715 6.1185  110.157 6.2837  7.557907       8.770489  
1 1 1 -1  64  15 o 110.815 4.4684  6688.97    536.321  6638.29    797.777  6730.76    724.458  109.793 6.7413  110.732 6.0635  -0.9395065     9.067046  
1 1 1 -1  64  16 f 144.209 4.7724  11348.87   745.420  11579.06   1092.88  11148.62   1019.33  145.043 6.9567  142.433 6.6074  2.609299       9.594491  
1 1 1 -1  64  17 o 144.463 4.7740  11400.52   746.977  12015.98   1103.47  10879.93   1014.86  147.618 6.9016  140.550 6.6666  7.067261       9.595609  
1 1 1 -1  64  18 o 82.767  3.7009  3732.57    331.770  3585.96    584.161  3802.37    403.090  80.282  6.7815  83.301  4.4842  -3.018776      8.130020  
1 1 1 -1  64  19 o 53.526  3.7055  1569.76    213.504  1490.14    465.222  1591.00    240.305  50.825  8.7678  53.809  4.1555  -2.983269      9.702684  
1 1 1 -1  64  20 o 127.201 3.2140  8816.33    442.795  8770.45    895.204  8831.19    509.485  125.476 6.6104  127.183 3.6986  -1.706184      7.574714  
1 1 1 -1  64  21 o 54.628  2.4635  1622.95    145.761  1757.40    473.587  1608.88    153.197  55.181  8.1709  54.377  2.6012  0.8040695      8.574926  
1 1 1 -1  64  22 o 57.697  3.7601  1830.95    233.693  1332.40    485.165  1981.56    266.667  47.054  9.8363  59.940  4.1328  -12.88563      10.66930  
1 1 1 -1  64  23 o 47.866  4.1813  1269.99    214.596  1587.39    489.430  1194.45    238.772  51.600  9.0894  46.228  4.8405  5.371262       10.29794  
1 1 1 -1  64  24 o 38.549  5.4878  846.534    222.664  696.648    498.358  883.917    248.888  33.744  11.440  39.205  6.0564  -5.461121      12.94461  
1 1 1 -1  64  25 o 65.467  3.7439  2376.47    264.371  2437.92    578.018  2360.21    297.289  63.282  8.6604  65.027  4.2443  -1.744457      9.644492  
1 1 1 -1  64  26 o 16.856  6.9966  73.095     209.982  -189.8984  476.451  136.492    233.925  20.183  9.3195  18.802  7.5412  1.381573       11.98844  
1 1 1 -1  64  27 o 39.379  1.8524  846.082    79.005   0.0000     0.0000   846.082    79.005   ?       ?       39.379  1.8524  0.000000       1.852357  
1 1 1 -1  64  28 o 34.998  8.3729  805.691    313.130  0.0000     0.0000   805.691    313.130  ?       ?       34.998  8.3729  0.000000       8.372881  
1 1 1 -1  64  29 o 38.612  8.0100  978.154    324.008  0.0000     0.0000   978.154    324.008  ?       ?       38.612  8.0100  0.000000       8.010030  
1 1 1 -1  64  30 o 22.094  8.6525  281.580    301.050  0.0000     0.0000   281.580    301.050  ?       ?       22.094  8.6525  0.000000       8.652509  
1 1 1 -1  65  1  o 311.443 5.4514  52648.79   1838.90  53404.53   2601.42  51894.02   2599.78  313.321 7.6657  308.839 7.7720  4.482208       10.91637  
1 1 1 -1  65  2  o 107.681 2.9009  6283.53    338.335  6261.26    479.531  6305.61    477.433  107.455 4.1202  107.836 4.0877  -0.3810654     5.803936  
1 1 1 -1  65  3  o 166.482 3.4452  15023.83   621.226  14869.54   880.041  15177.07   877.060  165.545 4.9081  167.253 4.8416  -1.707413      6.894234  
1 1 1 -1  65  4  o 198.362 3.8642  21334.63   830.211  21796.79   1176.65  20876.46   1171.56  200.382 5.4215  196.097 5.5160  4.284256       7.734246  
1 1 1 -1  65  5  o 56.107  3.1987  1711.87    193.583  1877.21    277.731  1555.64    269.969  58.663  4.4032  53.337  4.7220  5.325108       6.456435  
1 1 1 -1  65  6  o 81.413  2.8686  3592.13    252.952  3408.73    365.557  3760.61    350.381  79.156  4.2798  83.274  3.8847  -4.118454      5.779913  
1 1 1 -1  65  7  o 140.693 3.2285  10730.59   491.971  11081.51   704.411  10396.41   687.406  142.903 4.5511  138.413 4.5853  4.489975       6.460430  
1 1 1 -1  65  8  o 28.022  5.6353  441.928    165.107  420.767    250.775  458.119    219.359  27.502  7.9621  28.455  7.1315  -0.9537601     10.68891  
1 1 1 -1  65  9  o 277.547 4.9880  41840.94   1499.44  41341.00   2122.67  42338.87   2118.40  275.462 7.1146  278.790 7.0155  -3.327850      9.991763  
1 1 1 -1  65  10 o 73.867  2.9953  2958.52    239.645  3203.97    343.680  2726.25    334.331  76.716  4.1516  70.724  4.3862  5.991867       6.039424  
1 1 1 -1  65  11 o 176.434 3.6193  16893.26   691.643  17330.83   984.365  16466.61   972.014  178.522 5.0909  174.004 5.1575  4.517502       7.246900  
1 1 1 -1  65  12 o 180.746 3.7805  17739.24   740.090  17896.79   1002.28  17550.33   1097.48  181.348 5.1027  179.487 5.6454  1.861237       7.609768  
1 1 1 -1  65  13 o 73.490  3.0864  2931.04    245.671  2710.08    358.585  3126.49    337.257  70.409  4.7296  75.726  4.1275  -5.317558      6.277361  
1 1 1 -1  65  14 o 115.866 3.1070  7288.96    389.906  7370.57    565.610  7215.07    538.230  116.350 4.4883  115.139 4.3159  1.210724       6.226709  
1 1 1 -1  65  15 o 58.421  4.9706  1875.63    311.531  1943.61    468.740  1821.84    416.939  58.944  7.5130  57.192  6.8681  1.751755       10.17918  
1 1 1 -1  65  16 o 101.429 4.3545  5608.96    478.382  5808.50    703.761  5437.57    652.241  102.641 6.3618  99.372  6.0894  3.269112       8.806418  
1 1 1 -1  65  17 o 39.447  6.7583  881.065    278.360  1248.48    465.851  677.035    347.148  46.371  9.5918  34.188  9.1810  12.18357       13.27756  
1 1 1 -1  65  18 o 86.072  6.0773  4101.42    562.919  0.0000     0.0000   4101.42    562.919  ?       ?       86.072  6.0773  0.000000       6.077341  
1 1 1 -1  65  19 o 145.306 3.4377  11506.58   541.037  11284.59   1068.12  11583.20   627.492  142.538 6.9186  145.634 3.9781  -3.096130      7.980771  
1 1 1 -1  65  20 o 131.931 3.2179  9487.15    459.824  9038.15    946.458  9625.88    526.084  127.141 6.8988  132.768 3.6584  -5.626999      7.808828  
1 1 1 -1  65  21 o 69.002  3.3556  2599.70    250.787  2089.73    532.659  2744.94    284.265  60.097  8.4140  70.742  3.7231  -10.64569      9.200904  
1 1 1 -1  65  22 o 40.672  4.6473  923.381    201.047  648.299    446.627  993.286    225.147  33.132  10.820  42.096  5.0382  -8.963463      11.93592  
1 1 1 -1  65  23 o 15.810  1.8296  137.594    30.751   -126.2073  491.094  138.632    30.812   22.131  9.9173  15.871  1.8257  6.259872       10.08397  
1 1 1 -1  65  24 o 41.698  5.5759  991.452    245.522  1327.72    488.792  877.977    283.942  46.115  10.068  38.636  7.0448  7.479069       12.28829  
1 1 1 -1  65  25 o 36.056  2.2638  712.583    87.958   1100.02    512.536  700.826    89.282   40.313  11.290  35.746  2.3186  4.567333       11.52514  
1 1 1 -1  65  26 o 19.550  7.5037  181.601    222.999  194.721    486.094  178.104    250.966  24.377  10.409  20.032  7.8831  4.345049       13.05698  
1 1 1 -1  65  27 o 27.708  8.0644  492.189    256.657  0.0000     0.0000   492.189    256.657  ?       ?       27.708  8.0644  0.000000       8.064438  
1 1 1 -1  65  28 o 25.297  8.8488  412.939    298.900  0.0000     0.0000   412.939    298.900  ?       ?       25.297  8.8488  0.000000       8.848842  
1 1 1 -1  65  29 o 20.150  8.5624  143.008    326.073  0.0000     0.0000   143.008    326.073  ?       ?       20.150  8.5624  0.000000       8.562372  
1 1 1 -1  66  1  o 271.617 4.8811  40030.45   1435.96  40483.30   2031.66  39578.40   2029.86  272.891 6.8737  269.814 6.9460  3.077972       9.772109  
1 1 1 -1  66  2  o 274.019 4.9216  40744.23   1460.70  41722.61   2066.13  39766.58   2065.35  277.026 6.8860  270.429 7.0513  6.597198       9.855857  
1 1 1 -1  66  3  o 107.165 2.9636  6223.98    343.982  6149.87    490.495  6295.72    482.531  106.483 4.2529  107.743 4.1349  -1.259773      5.931661  
1 1 1 -1  66  4  o 71.528  2.9793  2772.86    230.814  2982.00    341.216  2596.43    313.395  74.022  4.2741  69.060  4.2099  4.962502       5.999310  
1 1 1 -1  66  5  o 94.619  2.8556  4852.04    292.647  5221.17    415.868  4489.94    411.891  98.120  3.9132  90.981  4.1799  7.139008       5.725760  
1 1 1 -1  66  6  o 140.000 3.1795  10625.00   482.119  10767.46   686.479  10486.34   677.253  140.866 4.4994  139.015 4.4980  1.850967       6.362102  
1 1 1 -1  66  7  o 196.136 3.8630  20866.11   820.645  21170.35   1163.95  20565.38   1157.21  197.406 5.4438  194.560 5.4915  2.846420       7.732498  
1 1 1 -1  66  8  o 290.184 5.1804  45745.99   1628.19  44832.50   2303.88  46657.46   2301.33  286.800 7.4167  292.618 7.2612  -5.817963      10.37940  
1 1 1 -1  66  9  o 28.794  5.5713  466.114    167.473  473.663    256.165  460.479    221.322  28.996  7.9288  28.512  7.1730  0.4835396      10.69196  
1 1 1 -1  66  10 o 114.991 3.0656  7171.17    381.808  7032.72    548.571  7301.26    531.737  113.785 4.4512  115.954 4.2339  -2.168663      6.143208  
1 1 1 -1  66  11 o 161.052 3.5816  14078.56   624.766  14510.65   850.659  13572.52   920.584  163.357 4.8078  157.906 5.3826  5.450317       7.217182  
1 1 1 -1  66  12 o 55.131  3.5389  1657.06    210.204  1656.62    319.779  1657.38    278.936  54.874  5.4526  54.994  4.7290  -0.1194687     7.217609  
1 1 1 -1  66  13 o 87.963  3.1607  4200.53    301.130  4120.09    446.712  4267.52    407.684  86.854  4.7669  88.575  4.2495  -1.721352      6.386061  
1 1 1 -1  66  14 o 180.752 3.8517  17768.86   754.055  17854.12   1021.40  17666.73   1117.92  180.865 5.2140  179.765 5.7416  1.100098       7.755749  
1 1 1 -1  66  15 o 170.925 3.5942  15889.24   665.388  15776.31   948.999  15998.43   933.202  169.936 5.1560  171.163 5.0338  -1.227005      7.205791  
1 1 1 -1  66  16 o 81.527  4.6610  3640.06    409.870  3578.67    646.599  3681.30    529.941  80.119  7.5400  81.685  6.0325  -1.566040      9.656206  
1 1 1 -1  66  17 o 71.423  5.0082  2805.58    384.975  2221.34    642.646  3132.58    480.790  62.083  9.8889  75.261  5.9465  -13.17848      11.53915  
1 1 1 -1  66  18 f 48.853  6.5338  1341.25    337.065  1125.44    516.759  1501.07    444.683  43.505  10.969  51.202  8.3028  -7.697403      13.75722  
1 1 1 -1  66  19 o 94.426  4.3263  4879.27    442.467  0.0000     0.0000   4879.27    442.467  ?       ?       94.426  4.3263  0.000000       4.326339  
1 1 1 -1  66  20 o 44.917  5.3958  1128.36    257.251  0.0000     0.0000   1128.36    257.251  ?       ?       44.917  5.3958  0.000000       5.395844  
1 1 1 -1  66  21 o 46.789  4.1534  1210.11    208.296  1859.55    460.902  1043.42    233.502  56.902  7.6742  43.193  5.0889  13.70907       9.208128  
1 1 1 -1  66  22 o 34.240  1.0312  635.493    38.242   329.789    418.878  638.062    38.402   26.845  10.289  34.309  1.0334  -7.463699      10.34064  
1 1 1 -1  66  23 o 16.297  6.6967  59.689     189.743  400.813    417.582  -29.0665   213.002  27.891  10.363  15.400  6.7319  12.49084       12.35776  
1 1 1 -1  66  24 o 25.019  7.2325  371.350    207.059  369.877    439.402  371.771    234.758  27.215  10.510  25.117  7.8055  2.098438       13.09142  
1 1 1 -1  66  25 o 52.577  4.3183  1555.16    243.740  881.408    526.827  1738.65    274.935  35.703  11.756  55.465  4.6186  -19.76141      12.63104  
1 1 1 -1  66  26 o 36.843  1.8022  739.924    71.917   839.438    514.178  737.939    72.631   34.390  11.621  36.791  1.8227  -2.400585      11.76286  
1 1 1 -1  66  27 o 43.600  7.1681  1170.47    326.731  0.0000     0.0000   1170.47    326.731  ?       ?       43.600  7.1681  0.000000       7.168088  
1 1 1 -1  66  28 o 22.735  8.6640  299.081    295.972  0.0000     0.0000   299.081    295.972  ?       ?       22.735  8.6640  0.000000       8.664017  
1 1 1 -1  66  29 o 18.372  7.9658  67.286     293.155  0.0000     0.0000   67.286     293.155  ?       ?       18.372  7.9658  0.000000       7.965837  
1 1 1 -1  67  1  o 98.821  2.8463  5292.35    304.646  5045.50    432.960  5534.43    428.741  96.450  4.1445  101.023 3.9183  -4.573257      5.703547  
1 1 1 -1  67  2  o 160.504 3.4121  13965.72   593.165  13756.12   835.508  14178.72   842.256  159.210 4.8452  161.640 4.8109  -2.429398      6.827908  
1 1 1 -1  67  3  o 75.484  2.8748  3087.99    235.036  3178.05    336.410  3002.10    328.513  76.439  4.0781  74.285  4.0989  2.154114       5.782012  
1 1 1 -1  67  4  o 149.672 3.2882  12144.20   533.051  11739.08   757.071  12542.51   750.665  147.073 4.7526  152.035 4.5586  -4.962585      6.585471  
1 1 1 -1  67  5  o 170.014 3.5276  15673.00   649.585  15423.71   919.225  15921.68   918.081  168.548 5.0353  171.255 4.9496  -2.706604      7.060657  
1 1 1 -1  67  6  o 172.507 3.5455  16137.57   662.460  15753.64   940.216  16516.08   933.539  170.320 5.0967  174.407 4.9419  -4.087341      7.099255  
1 1 1 -1  67  7  o 223.001 4.2301  26987.47   1021.71  26576.18   1444.16  27399.63   1445.69  221.057 6.0317  224.468 5.9463  -3.411942      8.469968  
1 1 1 -1  67  8  o 61.740  3.1560  2072.37    210.342  2112.75    305.189  2035.83    290.305  62.211  4.5611  61.077  4.4182  1.133533       6.350154  
1 1 1 -1  67  9  o 174.672 3.5980  16554.51   680.708  15455.52   964.139  17646.81   961.200  168.589 5.2801  180.193 4.9250  -11.60329      7.220443  
1 1 1 -1  67  10 o 102.693 2.9790  5719.67    331.344  5722.34    477.363  5717.19    460.286  102.634 4.2943  102.599 4.1421  0.3506470E-01  5.966350  
1 1 1 -1  67  11 o 87.265  3.0889  4131.68    291.953  4244.77    436.360  4040.03    392.830  88.235  4.5817  86.223  4.2064  2.012169       6.219810  
1 1 1 -1  67  12 o 160.678 3.4531  14019.87   600.955  13996.63   858.141  14042.24   841.850  160.316 4.9421  160.595 4.8398  -0.2793121     6.917263  
1 1 1 -1  67  13 o 190.182 3.8009  19663.44   782.937  19557.64   1114.57  19766.49   1100.05  189.287 5.4365  190.323 5.3364  -1.035339      7.617922  
1 1 1 -1  67  14 o 136.962 3.2302  10191.28   479.182  10653.52   691.563  9764.42    664.572  139.810 4.5669  133.846 4.5842  5.964355       6.470843  
1 1 1 -1  67  15 o 52.853  3.5884  1526.46    204.201  1593.05    298.914  1468.19    279.617  53.741  5.2004  51.597  5.0689  2.144375       7.262041  
1 1 1 -1  67  16 o 69.882  3.1854  2655.26    241.099  2727.97    351.665  2590.77    331.187  70.529  4.6292  68.754  4.4717  1.775169       6.436287  
1 1 1 -1  67  17 o 86.338  3.1479  4055.17    294.367  4049.31    440.589  4059.89    395.628  85.901  4.7540  86.231  4.2360  -0.3299866     6.367388  
1 1 1 -1  67  18 o 97.914  4.6575  5249.58    493.933  5287.31    789.523  5225.32    633.137  97.129  7.5646  97.146  6.0473  -0.1695251E-01 9.684665  
1 1 1 -1  67  19 o 83.664  4.2187  3840.00    381.053  0.0000     0.0000   3840.00    381.053  ?       ?       83.664  4.2187  0.000000       4.218708  
1 1 1 -1  67  20 o 33.977  6.6663  664.888    236.559  0.0000     0.0000   664.888    236.559  ?       ?       33.977  6.6663  0.000000       6.666305  
1 1 1 -1  67  21 o 61.721  4.8687  2114.14    322.827  0.0000     0.0000   2114.14    322.827  ?       ?       61.721  4.8687  0.000000       4.868653  
1 1 1 -1  67  22 f 87.147  4.2620  4179.61    402.287  0.0000     0.0000   4179.61    402.287  ?       ?       87.147  4.2620  0.000000       4.262019  
1 1 1 -1  67  23 o 78.421  3.8187  3382.82    324.351  0.0000     0.0000   3382.82    324.351  ?       ?       78.421  3.8187  0.000000       3.818652  
1 1 1 -1  67  24 o 15.876  6.9899  -34.0511   233.290  45.323     518.062  -54.2409   261.281  23.923  10.477  16.493  7.3223  7.430593       12.78236  
1 1 1 -1  67  25 o 35.426  6.2210  744.815    229.992  470.830    467.344  832.377    264.199  28.288  10.862  37.195  6.8090  -8.906971      12.81943  
1 1 1 -1  67  26 o 28.032  7.5290  492.157    233.441  263.842    488.797  559.620    265.700  25.152  10.574  29.666  8.0597  -4.513975      13.29572  
1 1 1 -1  67  27 o 33.608  8.6522  745.926    316.824  0.0000     0.0000   745.926    316.824  ?       ?       33.608  8.6522  0.000000       8.652196  
1 1 1 -1  67  28 o 21.373  8.5031  233.292    294.969  0.0000     0.0000   233.292    294.969  ?       ?       21.373  8.5031  0.000000       8.503085  
1 1 1 -1  67  29 o 29.292  8.9844  595.705    312.184  0.0000     0.0000   595.705    312.184  ?       ?       29.292  8.9844  0.000000       8.984381  
1 1 1 -1  68  1  o 210.309 4.0136  23989.38   914.246  23668.62   1293.12  24309.95   1292.76  208.734 5.7197  211.552 5.6420  -2.817902      8.034114  
1 1 1 -1  68  2  o 324.250 5.6743  57114.60   1992.80  55232.46   2819.26  58994.00   2817.22  318.332 8.1768  329.063 7.9044  -10.73041      11.37280  
1 1 1 -1  68  3  o 213.734 4.0730  24780.01   942.877  25095.50   1333.14  24464.25   1333.72  214.917 5.7271  212.188 5.8033  2.729431       8.153387  
1 1 1 -1  68  4  o 123.290 3.0479  8239.70    406.998  7871.10    579.686  8598.04    571.563  120.435 4.4440  125.888 4.1919  -5.452850      6.109067  
1 1 1 -1  68  5  o 198.065 3.8747  21280.12   831.223  21756.20   1176.50  20805.61   1174.56  200.110 5.4282  195.676 5.5420  4.433929       7.757500  
1 1 1 -1  68  6  o 33.433  4.2544  616.373    150.568  634.882    228.388  602.144    200.246  33.589  6.5128  32.791  5.8530  0.7987595      8.756331  
1 1 1 -1  68  7  o 91.056  2.9732  4495.27    293.231  4818.31    423.529  4197.85    406.384  94.220  4.1502  87.939  4.2666  6.280991       5.952168  
1 1 1 -1  68  8  o 110.411 3.0273  6610.62    362.024  6107.49    521.632  7078.16    502.844  106.038 4.5419  114.188 4.0658  -8.149712      6.095823  
1 1 1 -1  68  9  o 164.818 3.4865  14740.59   622.394  13892.79   882.210  15580.70   878.201  159.827 5.0963  169.300 4.7893  -9.472916      6.993495  
1 1 1 -1  68  10 o 157.461 3.3919  13455.95   578.474  13385.70   820.322  13525.44   815.869  156.877 4.8279  157.701 4.7766  -0.8239288     6.791455  
1 1 1 -1  68  11 o 90.627  3.0512  4456.92    299.506  4491.07    433.597  4425.75    414.200  90.874  4.4053  90.225  4.2385  0.6491547      6.113216  
1 1 1 -1  68  12 o 145.257 3.2909  11457.65   517.755  10897.52   736.367  12005.32   728.134  141.444 4.8066  148.508 4.5268  -7.063919      6.602697  
1 1 1 -1  68  13 f 152.296 3.5526  12606.46   586.009  13072.32   804.023  12078.56   855.890  154.854 4.7938  148.740 5.3128  6.114044       7.155814  
1 1 1 -1  68  14 o 67.849  3.2545  2501.70    239.165  2406.82    362.389  2574.92    318.337  66.194  5.0937  68.614  4.3054  -2.419693      6.669485  
1 1 1 -1  68  15 o 75.685  3.1476  3113.27    258.025  3211.01    383.204  3032.19    348.996  76.565  4.6429  74.447  4.3470  2.117706       6.360274  
1 1 1 -1  68  16 o 163.999 3.7036  14648.96   657.868  14869.79   904.220  14400.59   958.919  164.821 5.0651  162.060 5.4631  2.761719       7.449883  
1 1 1 -1  68  17 o 72.970  3.4783  2900.10    274.902  2968.55    416.299  2847.18    366.068  73.374  5.2735  71.980  4.7217  1.394562       7.078386  
1 1 1 -1  68  18 o 42.254  4.8393  991.239    217.478  851.685    332.761  1095.29    287.335  38.279  8.2678  44.122  6.1823  -5.843403      10.32368  
1 1 1 -1  68  19 f 82.286  3.2173  3690.41    286.737  3227.62    591.828  3832.36    327.776  75.638  7.3155  83.784  3.6120  -8.146294      8.158618  
1 1 1 -1  68  20 o 39.833  5.9296  898.555    248.027  0.0000     0.0000   898.555    248.027  ?       ?       39.833  5.9296  0.000000       5.929627  
1 1 1 -1  68  21 o 86.168  4.3868  4095.26    408.061  0.0000     0.0000   4095.26    408.061  ?       ?       86.168  4.3868  0.000000       4.386808  
1 1 1 -1  68  22 o 20.423  8.1523  141.091    271.954  0.0000     0.0000   141.091    271.954  ?       ?       20.423  8.1523  0.000000       8.152256  
1 1 1 -1  68  23 o 28.257  7.9909  478.157    255.480  0.0000     0.0000   478.157    255.480  ?       ?       28.257  7.9909  0.000000       7.990871  
1 1 1 -1  68  24 o 22.493  8.2826  264.862    265.612  0.0000     0.0000   264.862    265.612  ?       ?       22.493  8.2826  0.000000       8.282621  
1 1 1 -1  68  25 o 35.170  1.5993  673.083    60.920   0.0000     0.0000   673.083    60.920   ?       ?       35.170  1.5993  0.000000       1.599256  
1 1 1 -1  68  26 o 89.933  3.9461  4526.73    384.383  0.0000     0.0000   4526.73    384.383  ?       ?       89.933  3.9461  0.000000       3.946139  
1 1 1 -1  68  27 o 33.796  9.2118  774.468    346.428  0.0000     0.0000   774.468    346.428  ?       ?       33.796  9.2118  0.000000       9.211812  
1 1 1 -1  68  28 o 22.064  8.6750  266.519    303.657  0.0000     0.0000   266.519    303.657  ?       ?       22.064  8.6750  0.000000       8.674973  
1 1 1 -1  69  1  o 154.527 3.3404  12946.46   559.084  13178.42   793.369  12717.65   787.985  155.816 4.7010  153.064 4.7531  2.752106       6.685155  
1 1 1 -1  69  2  o 146.038 3.2277  11562.46   510.531  11847.09   723.906  11280.81   720.110  147.746 4.5237  144.165 4.6118  3.580414       6.460074  
1 1 1 -1  69  3  o 120.252 3.0106  7838.88    392.122  7874.03    552.393  7803.18    556.721  120.463 4.2337  119.917 4.2864  0.5460587      6.024741  
1 1 1 -1  69  4  o 75.182  2.9004  3064.00    236.184  3103.56    341.305  3027.65    327.171  75.511  4.1896  74.590  4.0651  0.9208298      5.837589  
1 1 1 -1  69  5  o 216.432 4.0912  25419.59   959.056  25748.69   1357.37  25091.51   1355.25  217.611 5.7590  214.806 5.8251  2.804993       8.191325  
1 1 1 -1  69  6  o 259.965 4.7329  36707.10   1332.64  36292.69   1888.29  37118.32   1881.00  258.099 6.7548  261.042 6.6529  -2.942657      9.480901  
1 1 1 -1  69  7  o 17.619  6.2549  145.570    149.778  110.497    230.831  171.074    196.841  19.123  7.5491  19.625  7.1447  -0.5026817     10.39405  
1 1 1 -1  69  8  o 177.636 3.6172  17124.73   695.940  17518.44   989.756  16739.72   978.751  179.480 5.0915  175.437 5.1509  4.043060       7.242540  
1 1 1 -1  69  9  o 113.456 2.9976  6982.33    368.359  6875.24    524.995  7086.17    516.976  112.485 4.3091  114.209 4.1793  -1.723808      6.002912  
1 1 1 -1  69  10 o 44.741  3.7838  1095.01    181.643  894.028    271.559  1257.74    244.354  39.955  6.4984  47.843  4.7795  -7.888069      8.066751  
1 1 1 -1  69  11 o 90.007  2.9501  4396.40    287.602  4409.00    416.785  4384.94    397.370  90.034  4.2740  89.805  4.0853  0.2291718      5.912435  
1 1 1 -1  69  12 o 114.477 3.0737  7115.38    381.111  6932.85    551.435  7282.29    527.318  112.831 4.5123  115.682 4.2086  -2.850311      6.170326  
1 1 1 -1  69  13 o 56.642  3.4744  1750.40    212.121  1826.76    324.589  1693.49    280.243  57.600  5.2609  55.537  4.7031  2.063499       7.056646  
1 1 1 -1  69  14 o 121.103 3.1047  7968.51    407.231  7802.24    583.864  8126.01    568.275  119.615 4.5067  122.110 4.2967  -2.494957      6.226693  
1 1 1 -1  69  15 o 136.821 3.2359  10178.91   479.535  10321.22   683.686  10041.10   672.776  137.494 4.5910  135.618 4.5802  1.876053       6.484989  
1 1 1 -1  69  16 f 114.718 3.1198  7157.81    387.636  6923.22    562.430  7370.07    534.999  112.535 4.6143  116.192 4.2511  -3.657372      6.274104  
1 1 1 -1  69  17 o 98.487  3.0234  5276.67    322.517  4620.57    494.490  5762.38    425.469  91.673  4.9991  102.782 3.8219  -11.10905      6.292656  
1 1 1 -1  69  18 o 104.545 3.0916  5951.05    350.070  6005.03    547.363  5913.69    455.380  104.612 4.8309  104.017 4.0420  0.5945740      6.298820  
1 1 1 -1  69  19 f 94.744  3.3147  4896.38    340.148  4777.12    670.198  4937.76    394.771  92.324  6.7490  95.028  3.8355  -2.704720      7.762733  
1 1 1 -1  69  20 o 27.073  6.3463  424.566    182.851  61.349     421.237  508.896    202.971  22.929  9.7374  29.644  6.5005  -6.715204      11.70790  
1 1 1 -1  69  21 o 16.027  6.5965  53.235     184.480  58.546     406.467  51.857     207.031  22.439  9.5480  16.776  6.9542  5.662617       11.81207  
1 1 1 -1  69  22 o 34.843  6.8384  708.781    248.857  0.0000     0.0000   708.781    248.857  ?       ?       34.843  6.8384  0.000000       6.838372  
1 1 1 -1  69  23 o 57.840  5.3287  1890.88    330.069  0.0000     0.0000   1890.88    330.069  ?       ?       57.840  5.3287  0.000000       5.328686  
1 1 1 -1  69  24 o 50.562  6.8844  1515.21    367.213  0.0000     0.0000   1515.21    367.213  ?       ?       50.562  6.8844  0.000000       6.884413  
1 1 1 -1  69  25 o 63.168  5.5001  2300.67    372.551  0.0000     0.0000   2300.67    372.551  ?       ?       63.168  5.5001  0.000000       5.500141  
1 1 1 -1  69  26 o 48.141  6.2996  1380.50    320.589  0.0000     0.0000   1380.50    320.589  ?       ?       48.141  6.2996  0.000000       6.299606  
1 1 1 -1  69  27 o 19.313  8.2200  100.325    301.407  0.0000     0.0000   100.325    301.407  ?       ?       19.313  8.2200  0.000000       8.220031  
1 1 1 -1  69  28 o 36.966  8.7619  922.972    345.460  0.0000     0.0000   922.972    345.460  ?       ?       36.966  8.7619  0.000000       8.761938  
1 1 1 -1  70  1  o 178.966 3.6109  17371.42   699.941  17635.95   992.078  17109.24   987.668  180.191 5.0833  177.474 5.1381  2.716888       7.227727  
1 1 1 -1  70  2  o 118.695 3.0070  7637.75    386.576  7648.23    542.330  7626.92    551.180  118.715 4.2178  118.545 4.2928  0.1699524      6.018128  
1 1 1 -1  70  3  o 149.976 3.2875  12196.98   534.021  12439.31   755.643  11955.20   754.797  151.363 4.6092  148.381 4.6966  2.981873       6.580491  
1 1 1 -1  70  4  o 159.776 3.3999  13845.32   588.373  14044.28   835.752  13649.81   828.466  160.802 4.7986  158.526 4.8251  2.276886       6.805003  
1 1 1 -1  70  5  o 177.481 3.6406  17089.59   699.830  17435.10   991.684  16746.81   987.746  179.109 5.1119  175.528 5.1955  3.581223       7.288709  
1 1 1 -1  70  6  o 107.325 2.9431  6246.02    342.123  6231.62    495.785  6259.12    472.709  107.125 4.2730  107.375 4.0646  -0.2499924     5.897414  
1 1 1 -1  70  7  o 241.849 4.4770  31779.03   1172.74  31050.48   1659.56  32505.72   1657.44  238.651 6.4204  244.218 6.2660  -5.566986      8.971282  
1 1 1 -1  70  8  o 150.021 3.3254  12212.45   540.344  12094.85   771.023  12325.95   757.480  149.141 4.7731  150.575 4.6446  -1.434341      6.659945  
1 1 1 -1  70  9  o 40.313  4.0726  891.960    175.381  917.164    267.591  872.980    232.207  40.523  6.3015  39.646  5.5605  0.8763580      8.404072  
1 1 1 -1  70  10 o 34.030  4.6546  641.804    167.062  457.028    254.669  781.386    221.344  28.441  7.9556  37.442  5.6325  -9.001184      9.747642  
1 1 1 -1  70  11 o 16.868  6.2848  118.590    153.790  297.414    246.722  4.9600     196.672  23.965  8.0500  15.674  6.6548  8.290967       10.44455  
1 1 1 -1  70  12 o 30.820  5.3561  533.365    172.304  527.442    270.543  537.407    223.493  30.385  8.0805  30.696  6.8910  -0.3110676     10.61983  
1 1 1 -1  70  13 o 68.032  3.1443  2514.60    231.694  2532.54    339.937  2499.04    316.633  67.991  4.6439  67.585  4.3486  0.4053802      6.362062  
1 1 1 -1  70  14 o 31.977  5.3245  573.984    177.928  458.642    281.695  650.545    229.505  28.520  8.4889  33.856  6.4951  -5.335186      10.68865  
1 1 1 -1  70  15 f 155.356 3.4387  13134.44   578.613  12161.40   826.763  14068.56   810.058  149.050 5.1213  160.459 4.6610  -11.40936      6.924805  
1 1 1 -1  70  16 f 115.788 3.1521  7293.78    395.312  7721.66    581.854  6926.96    538.742  118.850 4.5201  112.592 4.4178  6.258415       6.320407  
1 1 1 -1  70  17 o 49.428  4.5501  1348.17    240.856  1644.55    399.292  1178.64    301.982  54.015  6.9890  45.795  6.2515  8.219673       9.376952  
1 1 1 -1  70  18 o 58.497  3.9992  1879.31    251.867  1724.88    391.713  1988.16    328.862  55.340  6.6695  59.916  5.1166  -4.575905      8.406091  
1 1 1 -1  70  19 o 60.503  4.2869  2017.04    279.106  1862.06    505.536  2084.99    334.749  56.725  8.4892  61.308  5.0871  -4.583107      9.896786  
1 1 1 -1  70  20 o 52.218  3.9736  1503.32    223.050  1200.28    556.494  1561.32    243.462  44.019  11.534  53.151  4.2650  -9.132339      12.29685  
1 1 1 -1  70  21 o 60.795  3.7150  2032.96    243.448  2161.60    509.965  1995.00    277.056  61.123  7.8871  60.070  4.2864  1.052891       8.976595  
1 1 1 -1  70  22 o 38.438  5.5093  840.710    222.805  857.970    452.367  835.181    256.012  37.036  10.685  37.984  6.4537  -0.9484215     12.48314  
1 1 1 -1  70  23 o 36.558  5.7136  771.999    218.835  987.052    453.953  706.894    249.773  39.067  10.502  34.473  6.9299  4.594189       12.58225  
1 1 1 -1  70  24 f 101.168 3.7520  5681.25    411.123  4677.85    729.887  6147.54    497.563  88.159  7.7218  104.771 4.3847  -16.61275      8.879871  
1 1 1 -1  70  25 o 44.071  6.6381  1161.54    307.026  0.0000     0.0000   1161.54    307.026  ?       ?       44.071  6.6381  0.000000       6.638069  
1 1 1 -1  70  26 f 29.029  8.5657  549.721    287.792  0.0000     0.0000   549.721    287.792  ?       ?       29.029  8.5657  0.000000       8.565656  
1 1 1 -1  70  27 o 16.592  7.6695  -147.6577  323.992  0.0000     0.0000   -147.6577  323.992  ?       ?       16.592  7.6695  0.000000       7.669501  
1 1 1 -1  70  28 o 20.903  8.4263  211.366    293.669  0.0000     0.0000   211.366    293.669  ?       ?       20.903  8.4263  0.000000       8.426315  
1 1 1 -1  71  1  o 138.321 3.1691  10374.77   474.788  10335.58   669.009  10414.54   673.921  137.971 4.4769  138.496 4.4926  -0.5247803     6.342413  
1 1 1 -1  71  2  o 111.677 2.9172  6761.63    352.853  6882.58    501.446  6643.01    496.607  112.609 4.1113  110.630 4.1445  1.979149       5.837783  
1 1 1 -1  71  3  o 62.014  2.9581  2085.15    198.691  2279.81    286.385  1904.49    275.891  64.679  4.1094  59.067  4.3429  5.611019       5.978939  
1 1 1 -1  71  4  o 65.793  2.9637  2347.18    211.195  2348.01    307.169  2346.44    290.849  65.614  4.3469  65.616  4.1133  -0.1998901E-02 5.984520  
1 1 1 -1  71  5  o 43.519  3.6990  1035.17    172.702  1189.43    259.025  911.723    231.725  46.477  5.2369  40.587  5.4057  5.889408       7.526382  
1 1 1 -1  71  6  o 66.584  2.9090  2404.29    209.793  2503.88    307.643  2317.73    286.833  67.767  4.2122  65.204  4.0821  2.563904       5.865671  
1 1 1 -1  71  7  o 121.202 3.0270  7968.46    397.369  7929.73    564.661  8006.47    559.308  120.804 4.3155  121.393 4.2539  -0.5888977     6.059665  
1 1 1 -1  71  8  o 170.651 3.5202  15810.25   650.644  16609.64   926.412  15032.11   914.012  174.710 4.8957  166.176 5.0782  8.533859       7.053829  
1 1 1 -1  71  9  o 201.111 3.9182  21978.80   853.483  22246.56   1211.26  21714.76   1202.80  201.987 5.5366  199.551 5.5651  2.435867       7.850073  
1 1 1 -1  71  10 o 134.686 3.1783  9849.05    463.653  9703.33    662.311  9989.10    649.290  133.503 4.5804  135.479 4.4248  -1.975510      6.368600  
1 1 1 -1  71  11 o 71.695  3.0713  2791.01    238.492  2948.31    355.901  2662.80    321.303  73.441  4.4959  69.814  4.2697  3.627113       6.200262  
1 1 1 -1  71  12 o 92.415  2.8668  4637.00    286.950  4700.79    457.786  4595.71    368.280  92.868  4.5512  91.924  3.6990  0.9434052      5.864796  
1 1 1 -1  71  13 o 116.946 3.0877  7430.55    391.106  7590.56    567.070  7285.39    540.128  117.994 4.4372  115.619 4.3132  2.374947       6.188040  
1 1 1 -1  71  14 o 58.320  2.3581  1845.91    148.952  1688.21    331.889  1885.68    166.681  55.222  5.6276  58.931  2.6114  -3.709057      6.203966  
1 1 1 -1  71  15 o 73.737  3.2739  2958.22    261.467  3084.82    400.329  2864.04    345.287  74.913  4.9620  72.281  4.4319  2.632141       6.653009  
1 1 1 -1  71  16 o 63.638  3.6778  2214.69    252.414  1945.36    380.636  2426.09    337.228  59.128  6.0278  66.414  4.7188  -7.285511      7.655171  
1 1 1 -1  71  17 o 107.179 3.2322  6256.69    375.207  6322.77    551.886  6199.89    511.642  107.390 4.7448  106.422 4.4388  0.9673615      6.497372  
1 1 1 -1  71  18 o 97.341  3.3066  5166.80    348.615  4755.10    518.555  5506.32    470.914  92.783  5.1808  100.240 4.3374  -7.457581      6.756748  
1 1 1 -1  71  19 f 52.894  4.6929  1550.47    266.063  1577.94    483.271  1538.52    318.713  51.912  8.9164  52.407  5.7072  -0.4948730     10.58654  
1 1 1 -1  71  20 o 15.534  6.3801  50.552     172.127  -136.6564  411.023  90.365     189.549  20.182  9.0565  17.066  6.8079  3.116261       11.32995  
1 1 1 -1  71  21 o 22.722  1.2304  280.813    30.169   -141.8552  412.161  283.089    30.250   20.059  9.0295  22.815  1.2287  -2.755083      9.112677  
1 1 1 -1  71  22 o 34.510  5.7628  685.344    207.807  70.492     447.219  854.656    234.681  23.170  9.9409  38.614  5.7898  -15.44351      11.50408  
1 1 1 -1  71  23 o 21.031  7.3524  241.308    206.341  85.816     431.483  287.411    234.948  22.612  9.7343  22.648  7.8496  -0.3614807E-01 12.50492  
1 1 1 -1  71  24 o 15.117  6.6673  -29.4674   213.157  197.449    429.677  -103.5417  245.495  23.757  9.9472  15.122  6.8715  8.635807       12.08984  
1 1 1 -1  71  25 o 65.480  3.9266  2403.22    277.197  1491.35    552.643  2709.76    320.418  46.184  11.170  69.321  4.2886  -23.13747      11.96511  
1 1 1 -1  71  26 o 55.047  5.7036  1779.81    335.122  0.0000     0.0000   1779.81    335.122  ?       ?       55.047  5.7036  0.000000       5.703599  
1 1 1 -1  71  27 o 29.699  8.7550  595.002    300.784  0.0000     0.0000   595.002    300.784  ?       ?       29.699  8.7550  0.000000       8.755033  
1 1 1 -1  71  28 o 19.403  8.2963  105.224    309.578  0.0000     0.0000   105.224    309.578  ?       ?       19.403  8.2963  0.000000       8.296284  
1 1 1 -1  72  1  o 70.996  2.8460  2732.85    218.847  2968.63    319.005  2523.23    300.789  73.845  4.0035  68.053  4.0999  5.791809       5.730372  
1 1 1 -1  72  2  o 59.754  2.9041  1936.05    187.950  1872.48    268.985  1996.70    262.728  58.568  4.2697  60.514  4.0315  -1.946556      5.872310  
1 1 1 -1  72  3  o 88.848  2.8794  4280.40    277.090  4094.76    400.600  4450.69    383.677  86.834  4.2594  90.549  3.9121  -3.714958      5.783360  
1 1 1 -1  72  4  o 104.672 2.9755  5941.84    337.333  5896.37    483.363  5985.01    471.000  104.191 4.2832  104.982 4.1423  -0.7902145     5.958547  
1 1 1 -1  72  5  o 41.836  3.6594  957.226    164.151  764.164    237.907  1132.65    226.781  36.959  6.1600  45.411  4.6778  -8.451515      7.734767  
1 1 1 -1  72  6  o 147.414 3.2647  11791.56   521.264  11807.60   741.604  11775.90   732.831  147.367 4.6462  147.175 4.5973  0.1918793      6.536240  
1 1 1 -1  72  7  o 176.228 3.6019  16862.61   687.499  16732.64   974.155  16991.58   970.396  175.312 5.1303  176.674 5.0711  -1.362000      7.213665  
1 1 1 -1  72  8  o 131.349 3.1323  9363.44    445.619  9552.14    638.873  9184.66    621.872  132.519 4.4511  129.949 4.4183  2.569901       6.271673  
1 1 1 -1  72  9  o 170.841 3.5406  15855.13   655.144  16134.51   932.056  15582.29   921.069  172.075 5.0010  169.099 5.0290  2.976212       7.092286  
1 1 1 -1  72  10 o 100.678 2.9648  5502.37    323.300  5379.04    466.917  5615.96    448.094  99.408  4.3366  101.604 4.0718  -2.196259      5.948561  
1 1 1 -1  72  11 o 18.389  6.3817  166.784    155.314  134.473    249.664  187.182    198.372  20.102  7.8776  20.026  7.1889  0.7627487E-01  10.66472  
1 1 1 -1  72  12 o 103.179 3.0197  5782.47    337.459  5549.67    482.608  6005.20    472.045  100.910 4.4156  105.008 4.1504  -4.098618      6.059986  
1 1 1 -1  72  13 o 63.705  3.4169  2213.42    234.903  1956.82    368.872  2388.47    304.667  59.476  5.8000  66.055  4.2815  -6.579044      7.209096  
1 1 1 -1  72  14 o 167.053 3.5670  15192.35   645.406  15240.04   926.664  15147.42   899.428  166.851 5.1277  166.390 4.9908  0.4607239      7.155505  
1 1 1 -1  72  15 o 63.299  2.4340  2175.67    166.872  1789.88    325.655  2313.04    194.323  56.881  5.3487  65.242  2.7499  -8.360893      6.014208  
1 1 1 -1  72  16 o 67.599  3.4799  2496.38    253.920  2525.75    371.138  2470.54    348.158  67.663  5.1018  66.979  4.8316  0.6840439      7.026584  
1 1 1 -1  72  17 o 110.618 3.2692  6667.56    391.688  6378.72    574.448  6918.53    535.465  107.777 4.9210  112.401 4.3984  -4.624184      6.600170  
1 1 1 -1  72  18 o 39.883  5.5730  894.893    234.162  1269.84    398.596  697.298    289.357  46.813  8.1579  34.532  7.9068  12.28062       11.36090  
1 1 1 -1  72  19 o 75.316  4.0413  3118.38    328.468  3624.88    635.851  2934.01    383.617  79.865  7.4362  72.796  4.8938  7.068909       8.902026  
1 1 1 -1  72  20 o 31.216  1.9229  531.322    64.696   643.518    439.012  528.831    65.410   33.035  10.725  31.140  1.9492  1.894909       10.90057  
1 1 1 -1  72  21 o 33.706  5.8137  652.018    204.573  323.574    443.638  740.718    230.547  26.958  10.519  35.865  6.1567  -8.906574      12.18788  
1 1 1 -1  72  22 o 23.091  7.7880  299.376    230.932  707.920    525.984  201.818    257.030  33.696  11.741  21.120  8.0679  12.57581       14.24588  
1 1 1 -1  72  23 o 39.011  2.4987  836.006    105.025  926.220    474.949  831.368    107.691  37.087  11.019  38.886  2.5714  -1.799126      11.31504  
1 1 1 -1  72  24 o 30.353  6.8182  559.618    218.678  393.261    456.071  609.282    249.191  26.953  10.620  31.422  7.4375  -4.469637      12.96568  
1 1 1 -1  72  25 o 33.021  2.7066  603.383    95.950   0.0000     0.0000   603.383    95.950   ?       ?       33.021  2.7066  0.000000       2.706583  
1 1 1 -1  72  26 o 31.382  8.4275  646.270    292.509  0.0000     0.0000   646.270    292.509  ?       ?       31.382  8.4275  0.000000       8.427511  
1 1 1 -1  72  27 o 60.842  5.5563  2181.41    362.108  0.0000     0.0000   2181.41    362.108  ?       ?       60.842  5.5563  0.000000       5.556279  
1 1 1 -1  73  1  o 33.501  4.2065  619.042    149.268  720.858    216.822  527.311    205.803  35.945  5.7640  30.536  6.4260  5.408710       8.632316  
1 1 1 -1  73  2  f 185.929 3.7203  18763.95   749.188  18357.12   1061.64  19167.54   1057.40  183.682 5.3363  187.714 5.2008  -4.032684      7.451472  
1 1 1 -1  73  3  o 171.550 3.5339  15971.48   656.631  15556.87   926.993  16389.01   930.249  169.121 5.0607  173.602 4.9474  -4.480911      7.077215  
1 1 1 -1  73  4  o 239.806 4.4461  31253.27   1154.81  30556.09   1633.79  31949.33   1632.49  236.677 6.3734  242.052 6.2269  -5.375366      8.910357  
1 1 1 -1  73  5  o 164.241 3.4539  14641.78   614.419  14635.85   870.446  14647.66   867.401  164.020 4.8998  164.089 4.8806  -0.6907654E-01 6.915766  
1 1 1 -1  73  6  o 108.233 2.9414  6355.31    344.811  6131.77    490.677  6573.40    484.652  106.209 4.2655  109.985 4.0684  -3.776878      5.894586  
1 1 1 -1  73  7  o 99.603  2.9046  5382.68    313.354  5286.67    446.308  5476.03    440.057  98.611  4.1787  100.374 4.0478  -1.762489      5.817709  
1 1 1 -1  73  8  o 133.280 3.1455  9643.25    454.078  9772.79    649.289  9519.25    635.266  134.007 4.4734  132.262 4.4345  1.744171       6.298956  
1 1 1 -1  73  9  o 45.131  3.8616  1115.43    186.942  1132.05    274.691  1101.09    255.143  45.169  5.7448  44.602  5.3910  0.5670471      7.878158  
1 1 1 -1  73  10 o 59.033  3.2595  1898.85    207.601  1467.09    309.021  2254.00    280.266  51.513  5.6303  64.235  4.0491  -12.72251      6.935107  
1 1 1 -1  73  11 o 180.593 3.6626  17737.12   716.417  18309.68   1016.80  17172.67   1009.57  183.113 5.1268  177.299 5.2573  5.814392       7.343220  
1 1 1 -1  73  12 o 84.678  3.0187  3895.41    276.860  3837.48    413.364  3942.54    372.843  83.752  4.5742  85.081  4.0460  -1.329185      6.106790  
1 1 1 -1  73  13 o 15.532  6.2557  61.139     161.704  -216.5045  260.607  234.954    206.199  14.767  6.8444  21.477  7.3586  -6.710065      10.04960  
1 1 1 -1  73  14 o 110.140 3.0761  6596.26    366.953  6472.54    535.860  6705.51    503.544  108.841 4.5456  110.855 4.1938  -2.014275      6.184685  
1 1 1 -1  73  15 o 122.023 3.2118  8103.09    424.481  7823.20    620.156  8349.81    582.248  119.540 4.7898  123.615 4.3488  -4.075249      6.469485  
1 1 1 -1  73  16 o 131.492 3.3518  9420.26    477.367  9150.89    682.965  9677.57    667.499  129.163 4.8819  132.911 4.6368  -3.747559      6.732977  
1 1 1 -1  73  17 o 20.025  7.2813  187.838    204.350  111.872    331.949  234.194    259.310  21.648  8.8721  22.364  8.1915  -0.7161312     12.07543  
1 1 1 -1  73  18 o 85.631  2.8567  3993.34    264.952  3819.93    448.595  4086.24    328.339  83.129  5.0057  86.499  3.5046  -3.370506      6.110581  
1 1 1 -1  73  19 o 27.407  1.5785  408.922    46.660   405.892    425.988  408.959    46.943   28.428  10.486  27.407  1.5882  1.020779       10.60552  
1 1 1 -1  73  20 o 19.577  6.8221  196.720    177.581  558.779    425.602  120.399    195.404  31.184  10.572  17.944  6.9865  13.23954       12.67229  
1 1 1 -1  73  21 o 21.999  7.0934  272.186    192.279  1059.55    433.127  78.928     214.583  41.428  9.8052  17.492  7.1469  23.93595       12.13343  
1 1 1 -1  73  22 o 25.398  7.2311  385.792    208.478  117.098    440.902  463.167    236.599  23.350  9.9401  27.668  7.6424  -4.318644      12.53843  
1 1 1 -1  73  23 o 87.629  3.3754  4240.10    320.362  3496.05    650.088  4478.74    368.171  75.963  8.0227  89.839  3.7837  -13.87659      8.870194  
1 1 1 -1  73  24 o 18.768  7.2563  158.946    209.645  31.316     442.170  195.957    238.110  21.760  9.5997  20.215  7.7550  1.545059       12.34077  
1 1 1 -1  73  25 o 41.196  6.4665  1020.00    279.029  0.0000     0.0000   1020.00    279.029  ?       ?       41.196  6.4665  0.000000       6.466514  
1 1 1 -1  73  26 o 30.229  9.3197  620.442    335.430  0.0000     0.0000   620.442    335.430  ?       ?       30.229  9.3197  0.000000       9.319714  
1 1 1 -1  73  27 o 34.173  8.8766  789.641    331.506  0.0000     0.0000   789.641    331.506  ?       ?       34.173  8.8766  0.000000       8.876613  
1 1 1 -1  74  1  o 89.467  2.8351  4341.04    274.729  4201.81    387.386  4481.93    389.675  87.952  4.0665  90.844  3.9604  -2.891510      5.676393  
1 1 1 -1  74  2  o 80.148  2.8075  3483.80    243.710  3393.36    343.068  3575.94    346.272  78.938  4.0260  81.143  3.9400  -2.205467      5.633105  
1 1 1 -1  74  3  o 40.919  3.6833  916.448    161.497  890.993    226.940  942.565    229.869  40.102  5.3589  41.282  5.2606  -1.179577      7.509432  
1 1 1 -1  74  4  f 115.036 2.9721  7179.22    370.306  6939.64    519.013  7427.65    528.501  112.996 4.2408  116.909 4.1738  -3.912170      5.950164  
1 1 1 -1  74  5  o 125.725 3.0268  8576.88    412.172  8882.64    588.415  8282.31    577.537  127.826 4.2500  123.423 4.3203  4.402977       6.060345  
1 1 1 -1  74  6  o 187.897 3.6980  19179.27   752.584  19525.24   1067.81  18837.80   1060.85  189.295 5.2082  185.920 5.2681  3.375443       7.408005  
1 1 1 -1  74  7  o 311.533 5.4797  52947.57   1848.97  53320.09   2616.31  52575.90   2613.38  311.483 7.7551  309.275 7.8017  2.208496       11.00032  
1 1 1 -1  74  8  o 100.124 2.9290  5441.34    317.641  5474.60    447.167  5407.47    451.286  100.319 4.1154  99.696  4.1793  0.6239319      5.865444  
1 1 1 -1  74  9  o 97.394  2.9108  5149.46    307.060  5287.89    439.989  5018.04    428.726  98.575  4.1210  96.026  4.1221  2.548294       5.828776  
1 1 1 -1  74  10 o 80.316  2.9327  3502.65    255.120  3507.25    367.118  3498.34    354.787  80.142  4.2445  80.061  4.1052  0.8082581E-01  5.904961  
1 1 1 -1  74  11 o 90.203  2.9456  4419.19    287.788  4397.71    414.887  4439.11    399.533  89.841  4.2637  90.285  4.0857  -0.4443130     5.905244  
1 1 1 -1  74  12 o 102.391 3.0012  5696.58    332.837  5899.88    489.560  5521.83    453.869  104.012 4.3456  100.654 4.1632  3.358841       6.018047  
1 1 1 -1  74  13 f 46.772  3.7672  1199.25    189.225  1632.92    287.576  868.114    251.289  54.422  4.9323  39.295  6.1023  15.12741       7.846380  
1 1 1 -1  74  14 o 91.949  3.0853  4598.20    307.263  4590.46    455.010  4604.69    416.599  91.519  4.6050  91.848  4.1877  -0.3289871     6.224366  
1 1 1 -1  74  15 o 73.343  3.4559  2930.68    274.527  2551.75    409.201  3240.83    370.203  67.884  5.6159  76.846  4.4671  -8.962227      7.175858  
1 1 1 -1  74  16 o 42.275  5.1995  996.716    233.055  894.948    345.133  1082.01    315.973  39.189  8.3846  43.619  6.9191  -4.429516      10.87087  
1 1 1 -1  74  17 o 58.052  2.5547  1832.68    160.630  1902.66    364.621  1815.83    178.928  58.364  5.8466  57.754  2.8604  0.6106033      6.508830  
1 1 1 -1  74  18 o 94.856  3.3222  4911.88    341.320  4839.93    510.153  4970.19    459.249  93.542  5.0540  95.115  4.4579  -1.572853      6.739148  
1 1 1 -1  74  19 o 36.783  6.3614  775.808    244.266  862.999    449.346  739.235    291.020  37.658  10.579  35.466  7.7891  2.191826       13.13753  
1 1 1 -1  74  20 o 43.919  4.6127  1076.38    216.141  969.677    470.697  1104.89    243.310  39.524  10.723  44.341  5.1629  -4.816902      11.90109  
1 1 1 -1  74  21 o 28.022  6.6842  464.313    200.032  361.495    446.415  490.143    223.752  27.329  10.582  28.676  7.2112  -1.346876      12.80585  
1 1 1 -1  74  22 o 29.957  6.9968  540.898    222.913  428.043    453.158  576.923    256.031  27.961  10.705  30.700  7.7104  -2.739155      13.19279  
1 1 1 -1  74  23 o 58.463  4.0525  1912.43    255.025  1417.49    525.683  2064.77    291.644  46.037  10.739  60.545  4.4792  -14.50805      11.63606  
1 1 1 -1  74  24 o 78.433  2.9277  3387.68    248.713  2962.92    611.201  3471.97    272.276  69.099  8.3349  79.289  3.1705  -10.18968      8.917533  
1 1 1 -1  74  25 o 66.507  5.3097  2559.81    379.288  0.0000     0.0000   2559.81    379.288  ?       ?       66.507  5.3097  0.000000       5.309656  
1 1 1 -1  74  26 o 57.909  5.8763  1988.79    363.461  0.0000     0.0000   1988.79    363.461  ?       ?       57.909  5.8763  0.000000       5.876262  
1 1 1 -1  74  27 o 40.764  7.6324  1056.60    324.603  0.0000     0.0000   1056.60    324.603  ?       ?       40.764  7.6324  0.000000       7.632437  
1 1 1 -1  75  1  o 103.180 2.8904  5775.19    323.018  5732.29    460.568  5816.71    453.155  102.704 4.1403  103.466 4.0437  -0.7618103     5.787377  
1 1 1 -1  75  2  o 89.947  2.8132  4388.60    274.066  4441.15    386.288  4335.33    388.901  90.413  3.9447  89.324  4.0198  1.089127       5.631959  
1 1 1 -1  75  3  o 156.010 3.3459  13212.24   565.379  13140.53   802.138  13283.04   797.019  155.397 4.7658  156.246 4.7097  -0.8491821     6.700295  
1 1 1 -1  75  4  o 266.384 4.8162  38627.10   1389.59  39191.89   1968.09  38065.66   1962.26  267.647 6.7891  263.741 6.8692  3.905426       9.658088  
1 1 1 -1  75  5  o 62.215  2.9338  2100.41    197.694  2212.28    289.908  2003.16    270.286  63.642  4.2299  60.556  4.1459  3.085896       5.922828  
1 1 1 -1  75  6  o 108.551 2.9153  6394.78    342.760  6547.90    491.393  6249.69    478.341  109.726 4.1348  107.199 4.1198  2.526138       5.836864  
1 1 1 -1  75  7  o 73.706  2.9594  2948.81    236.250  2973.98    332.871  2923.27    335.359  73.818  4.1805  73.174  4.2497  0.6436539      5.961267  
1 1 1 -1  75  8  o 157.236 3.3807  13432.46   575.746  13271.16   815.852  13592.49   812.613  156.027 4.8277  157.921 4.7509  -1.894012      6.773289  
1 1 1 -1  75  9  o 65.185  3.0468  2307.59    215.108  2306.47    312.380  2308.60    296.646  64.913  4.4703  64.978  4.2382  -0.6501007E-01 6.160039  
1 1 1 -1  75  10 o 106.007 2.9658  6103.13    340.528  6040.73    486.502  6163.07    476.804  105.303 4.2655  106.382 4.1381  -1.079483      5.942945  
1 1 1 -1  75  11 o 57.955  2.3475  1822.53    147.354  1743.73    314.698  1844.66    166.765  56.235  5.2266  58.290  2.6414  -2.055710      5.856132  
1 1 1 -1  75  12 o 56.510  3.5222  1744.53    214.506  1528.44    324.295  1912.62    286.012  52.468  5.8037  59.022  4.5081  -6.553978      7.348906  
1 1 1 -1  75  13 o 104.059 2.9237  5885.59    329.523  6235.33    499.681  5616.44    438.350  106.876 4.3166  101.492 3.9877  5.383514       5.876617  
1 1 1 -1  75  14 o 110.579 3.1049  6652.12    371.874  6786.70    543.916  6534.00    509.581  111.413 4.5074  109.365 4.3019  2.047531       6.230838  
1 1 1 -1  75  15 o 70.343  3.4099  2696.27    259.796  2770.61    377.852  2629.62    357.783  70.898  4.9517  69.096  4.8108  1.801872       6.903809  
1 1 1 -1  75  16 o 33.798  6.0344  650.010    212.795  950.442    332.719  442.059    276.812  40.515  7.8658  27.824  8.4454  12.69053       11.54101  
1 1 1 -1  75  17 o 40.348  5.5881  916.017    237.652  536.657    357.683  1215.85    317.990  30.559  9.6560  46.312  6.5199  -15.75378      11.65103  
1 1 1 -1  75  18 o 52.818  4.3712  1542.55    247.817  1331.30    387.485  1688.76    322.365  47.994  7.7155  54.967  5.4881  -6.972813      9.468294  
1 1 1 -1  75  19 o 61.533  4.3730  2093.25    289.547  1653.53    521.120  2289.63    348.250  52.668  9.4841  64.154  5.0528  -11.48557      10.74606  
1 1 1 -1  75  20 o 117.517 3.1485  7553.76    400.744  7761.38    828.525  7490.36    457.866  117.037 6.5624  116.837 3.6182  0.2006531      7.493778  
1 1 1 -1  75  21 f 112.144 3.1752  6900.31    385.666  6803.00    803.064  6929.48    439.688  108.617 6.8615  112.163 3.6193  -3.546219      7.757559  
1 1 1 -1  75  22 o 33.709  6.5386  676.351    230.114  825.558    460.985  626.832    265.568  35.203  10.938  31.916  7.7580  3.286963       13.40962  
1 1 1 -1  75  23 o 21.921  7.6251  272.206    221.798  72.311     449.116  336.685    255.074  22.490  9.8047  23.926  8.1844  -1.436764      12.77167  
1 1 1 -1  75  24 o 18.914  7.3087  164.942    212.594  212.190    446.641  151.102    241.734  23.950  10.091  19.236  7.6835  4.713530       12.68290  
1 1 1 -1  75  25 o 13.549  6.5093  -332.7129  278.188  0.0000     0.0000   -332.7129  278.188  ?       ?       13.549  6.5093  0.000000       6.509258  
1 1 1 -1  75  26 o 30.832  8.9037  639.532    313.952  0.0000     0.0000   639.532    313.952  ?       ?       30.832  8.9037  0.000000       8.903666  
1 1 1 -1  76  1  o 281.553 5.0374  43175.54   1536.17  43152.64   2174.52  43198.34   2170.44  280.667 7.1532  280.824 7.1358  -0.1563416     10.10388  
1 1 1 -1  76  2  o 152.295 3.2972  12592.00   543.881  12479.70   771.111  12703.16   767.231  151.421 4.7018  152.781 4.6365  -1.360306      6.603295  
1 1 1 -1  76  3  o 54.127  3.1423  1595.60    183.422  1484.77    258.741  1707.57    260.060  52.026  4.6404  55.863  4.3320  -3.837498      6.348198  
1 1 1 -1  76  4  o 101.827 2.8900  5626.68    318.738  5345.42    458.329  5890.10    443.562  99.130  4.2687  104.093 3.9343  -4.962799      5.805214  
1 1 1 -1  76  5  o 105.920 2.9309  6089.01    336.240  6381.76    484.259  5816.50    467.228  108.320 4.1276  103.407 4.1716  4.913246       5.868537  
1 1 1 -1  76  6  f 46.553  3.4239  1183.66    171.428  1323.62    267.039  1085.55    223.582  49.007  5.1059  44.393  4.7225  4.614227       6.954999  
1 1 1 -1  76  7  o 28.720  5.1479  463.470    154.252  570.195    216.634  353.715    219.687  31.690  6.5287  25.188  7.4965  6.502790       9.940938  
1 1 1 -1  76  8  f 70.117  2.9252  2669.30    222.152  2868.92    317.725  2478.36    310.734  72.493  4.0629  67.330  4.2833  5.162926       5.903697  
1 1 1 -1  76  9  o 35.633  4.2557  701.276    160.998  967.828    238.697  478.803    218.069  41.741  5.4067  28.938  7.0275  12.80296       8.866735  
1 1 1 -1  76  10 o 33.497  4.7351  624.232    167.004  605.640    236.729  642.652    235.635  32.574  6.9233  33.613  6.7073  -1.039795      9.639494  
1 1 1 -1  76  11 o 98.623  2.9099  5284.61    310.831  5408.80    480.117  5195.00    407.838  99.559  4.4524  97.664  3.8555  1.894951       5.889757  
1 1 1 -1  76  12 o 130.574 3.1434  9270.98    444.562  9724.15    637.528  8842.06    620.239  133.464 4.4103  127.245 4.5003  6.218216       6.301085  
1 1 1 -1  76  13 o 41.237  2.0220  922.616    90.310   936.994    300.983  921.193    94.672   40.580  7.1069  41.146  2.1316  -0.5661964     7.419714  
1 1 1 -1  76  14 o 64.212  3.4636  2252.82    239.997  2694.43    384.647  1971.30    307.109  69.897  5.1164  59.805  4.7811  10.09191       7.002610  
1 1 1 -1  76  15 o 59.335  3.8660  1930.68    247.094  1733.30    375.740  2081.09    327.994  55.607  6.3526  61.369  4.9774  -5.761471      8.070328  
1 1 1 -1  76  16 o 28.144  6.9338  458.907    209.988  651.485    329.797  327.601    272.324  33.276  8.9539  24.827  8.4568  8.449018       12.31622  
1 1 1 -1  76  17 o 67.288  3.7253  2483.43    270.437  2515.15    413.516  2459.72    357.484  67.140  5.7417  66.631  4.9897  0.5090637      7.606810  
1 1 1 -1  76  18 f 90.548  3.3168  4477.86    325.290  4516.61    477.363  4444.27    444.456  90.367  4.8955  89.752  4.5874  0.6146393      6.708945  
1 1 1 -1  76  19 o 16.589  7.0824  11.731     224.993  -119.1025  423.065  63.327     265.678  20.612  9.2232  18.806  7.8434  1.806656       12.10725  
1 1 1 -1  76  20 o 23.055  6.9004  308.219    185.752  107.037    440.570  351.712    204.849  23.545  9.9764  24.512  7.2249  -0.9673862     12.31776  
1 1 1 -1  76  21 o 36.977  5.4358  785.995    211.204  835.711    467.548  773.249    236.734  35.755  11.000  36.353  6.2370  -0.5978050     12.64496  
1 1 1 -1  76  22 o 44.398  4.9248  1122.13    232.831  1070.60    487.603  1137.35    264.993  39.897  10.951  44.375  5.6409  -4.478622      12.31870  
1 1 1 -1  76  23 o ?       ?       -132.6923  33.080   -58.4220   440.866  -133.1128  33.174   20.781  9.3480  ?       ?       0.000000       9.347972  
1 1 1 -1  76  24 o 16.863  7.2454  33.693     238.193  0.0000     0.0000   33.693     238.193  ?       ?       16.863  7.2454  0.000000       7.245431  
1 1 1 -1  76  25 o 29.508  8.8986  577.731    308.050  0.0000     0.0000   577.731    308.050  ?       ?       29.508  8.8986  0.000000       8.898608  
1 1 1 -1  76  26 o 49.748  6.5544  1501.09    344.565  0.0000     0.0000   1501.09    344.565  ?       ?       49.748  6.5544  0.000000       6.554363  
1 1 1 -1  77  1  o 133.467 3.1214  9669.95    451.222  9410.79    636.085  9932.45    640.185  131.502 4.4659  135.111 4.3747  -3.608902      6.251579  
1 1 1 -1  77  2  o 51.811  3.0982  1462.40    173.066  1406.65    241.786  1520.97    247.830  50.648  4.4528  52.690  4.3824  -2.042564      6.247618  
1 1 1 -1  77  3  o 48.762  3.2704  1296.94    171.722  1285.56    257.313  1306.07    230.584  48.317  4.9887  48.792  4.4109  -0.4752769     6.659071  
1 1 1 -1  77  4  o 39.900  3.5808  871.966    153.101  844.857    222.171  896.482    211.275  38.985  5.4072  40.260  4.9493  -1.274994      7.330338  
1 1 1 -1  77  5  o 32.575  4.1404  586.524    142.783  661.050    217.487  530.069    189.289  34.268  6.0824  30.632  5.9196  3.636435       8.487484  
1 1 1 -1  77  6  o 36.012  3.9867  714.040    152.890  1042.35    244.732  503.889    195.800  43.380  5.3203  29.789  6.2670  13.59023       8.220776  
1 1 1 -1  77  7  o 166.158 3.4967  15006.08   629.285  14964.74   892.200  15047.01   887.705  165.620 4.9737  166.084 4.9348  -0.4641113     7.006422  
1 1 1 -1  77  8  o 93.352  2.8822  4731.91    291.423  4386.81    414.616  5068.86    409.697  89.743  4.2656  96.511  3.9194  -6.767853      5.792794  
1 1 1 -1  77  9  o 36.859  4.1251  749.096    161.858  858.792    236.499  652.445    221.993  39.201  5.7401  33.963  6.2656  5.238079       8.497445  
1 1 1 -1  77  10 o 112.568 2.9975  6885.44    365.461  7209.51    522.463  6574.94    511.394  115.001 4.1945  109.805 4.3000  5.195992       6.006974  
1 1 1 -1  77  11 o 164.660 3.6869  14763.35   657.541  15055.55   897.009  14423.98   966.705  165.906 4.9919  162.215 5.5021  3.690079       7.429173  
1 1 1 -1  77  12 o 13.955  5.8779  13.510     151.481  -82.6671   242.127  75.366     194.176  15.835  7.0387  17.020  6.8551  -1.185306      9.825289  
1 1 1 -1  77  13 o 122.912 3.1254  8219.94    416.073  8683.04    606.208  7807.47    572.104  126.027 4.4411  119.509 4.4198  6.517525       6.265596  
1 1 1 -1  77  14 o 69.039  3.4863  2604.46    259.853  2518.30    402.454  2666.05    340.294  67.422  5.5608  69.641  4.5363  -2.219147      7.176386  
1 1 1 -1  77  15 o 22.915  7.3072  289.257    204.480  553.504    324.526  115.275    263.328  30.891  9.0904  19.904  7.9949  10.98701       12.10596  
1 1 1 -1  77  16 o 75.626  3.4753  3122.09    284.662  3084.34    427.068  3152.27    381.861  74.591  5.3210  75.606  4.6862  -1.014877      7.090412  
1 1 1 -1  77  17 o 50.932  4.2748  1433.25    233.640  1557.53    349.280  1332.62    314.312  52.540  6.2612  48.596  6.1064  3.943428       8.745864  
1 1 1 -1  77  18 o 17.016  7.0288  57.269     210.432  -149.0995  345.665  178.785    265.247  18.203  8.2243  21.114  8.1624  -2.911510      11.58721  
1 1 1 -1  77  19 o 31.076  6.7403  565.151    220.340  640.608    343.162  512.220    287.414  32.562  9.2796  29.351  8.5315  3.211256       12.60546  
1 1 1 -1  77  20 o ?       ?       -284.4580  33.321   210.921    433.588  -287.4010  33.419   24.712  10.135  ?       ?       0.000000       10.13523  
1 1 1 -1  77  21 o 15.539  6.7689  -10.9930   213.669  174.793    433.144  -70.7420   245.636  23.807  9.9787  15.685  7.0224  8.121617       12.20196  
1 1 1 -1  77  22 o 79.314  3.4842  3477.04    299.306  3143.14    614.077  3581.08    342.779  72.063  8.0027  80.264  3.9430  -8.200745      8.921337  
1 1 1 -1  77  23 o 82.895  3.5565  3811.33    319.315  3670.58    639.305  3858.12    368.584  77.797  7.6876  83.083  4.0960  -5.285309      8.710717  
1 1 1 -1  77  24 o 33.937  7.2873  715.476    259.860  0.0000     0.0000   715.476    259.860  ?       ?       33.937  7.2873  0.000000       7.287255  
1 1 1 -1  77  25 o 39.748  7.8364  1003.64    325.376  0.0000     0.0000   1003.64    325.376  ?       ?       39.748  7.8364  0.000000       7.836368  
1 1 1 -1  78  1  o 88.582  2.8086  4258.34    269.464  4093.44    388.745  4410.85    373.852  86.745  4.1376  90.074  3.8320  -3.329269      5.639558  
1 1 1 -1  78  2  o 136.991 3.1622  10190.24   469.193  10371.89   663.568  10008.62   663.511  138.027 4.4386  135.576 4.5185  2.451660       6.333916  
1 1 1 -1  78  3  o 52.387  3.1450  1495.59    177.622  1425.68    251.348  1565.32    251.041  50.957  4.6038  53.447  4.3750  -2.490265      6.351035  
1 1 1 -1  78  4  o 82.573  2.8390  3700.82    253.901  3801.67    359.766  3600.74    358.379  83.600  3.9732  81.352  4.0673  2.247871       5.685906  
1 1 1 -1  78  5  o 10.413  4.7427  -75.1076   117.801  -171.2097  186.570  -11.3927   151.913  12.329  5.7404  13.451  5.7831  -1.122608      8.148408  
1 1 1 -1  78  6  o 89.425  2.8385  4341.23    274.923  4389.31    398.946  4297.74    379.390  89.801  4.1017  88.876  3.9412  0.9244766      5.688341  
1 1 1 -1  78  7  o 30.643  5.1183  526.275    163.882  489.975    239.075  558.451    225.085  29.266  7.5060  31.289  6.8332  -2.022587      10.15054  
1 1 1 -1  78  8  o 85.594  2.9254  3979.18    271.202  3694.70    392.604  4238.82    375.073  82.207  4.4257  88.240  3.9245  -6.032928      5.915055  
1 1 1 -1  78  9  f 53.281  3.2547  1549.11    186.927  1489.61    267.069  1606.26    261.722  52.010  4.7949  54.075  4.5098  -2.064133      6.582499  
1 1 1 -1  78  10 o 59.398  3.3000  1924.69    211.468  1854.89    317.398  1980.41    283.574  58.011  5.1035  60.088  4.3875  -2.077728      6.730221  
1 1 1 -1  78  11 o 109.876 3.0563  6563.76    363.719  6270.51    526.080  6832.30    503.420  107.141 4.5334  111.915 4.1531  -4.773972      6.148194  
1 1 1 -1  78  12 o 101.129 3.0508  5562.21    334.167  5822.97    487.991  5331.97    458.549  103.242 4.3640  98.809  4.2847  4.433105       6.115826  
1 1 1 -1  78  13 o 28.399  5.8930  460.343    175.327  570.554    294.077  399.566    218.383  31.356  8.4626  26.407  7.3601  4.948797       11.21548  
1 1 1 -1  78  14 o 80.182  3.2157  3502.14    279.267  3685.63    435.958  3374.45    363.681  81.787  4.9447  78.412  4.2986  3.374649       6.551907  
1 1 1 -1  78  15 o 114.173 3.2630  7106.21    403.506  6685.17    587.166  7482.97    555.443  110.279 4.9158  116.850 4.3888  -6.570763      6.589882  
1 1 1 -1  78  16 o 35.348  5.7269  708.531    211.759  1009.70    316.768  465.201    284.732  41.883  7.2452  28.384  8.5542  13.49841       11.21008  
1 1 1 -1  78  17 o 46.640  4.7212  1209.37    235.213  1403.30    368.172  1075.63    305.743  49.545  7.0607  43.378  6.7253  6.166885       9.751079  
1 1 1 -1  78  18 o 58.208  4.3125  1874.50    269.952  1397.68    404.359  2257.90    362.588  48.964  7.8929  63.582  5.3138  -14.61740      9.515009  
1 1 1 -1  78  19 o 55.645  2.3983  1687.22    144.543  1605.03    380.229  1701.11    156.275  52.771  6.8114  55.846  2.5836  -3.075001      7.284944  
1 1 1 -1  78  20 o 34.782  5.7136  699.759    207.770  876.912    464.251  655.390    232.337  36.745  10.889  33.276  6.6786  3.469852       12.77384  
1 1 1 -1  78  21 f 25.715  7.4322  400.410    218.675  535.859    550.436  375.026    238.286  30.378  11.754  25.006  7.8791  5.372532       14.15072  
1 1 1 -1  78  22 o 45.311  2.3876  1126.01    116.761  1575.94    499.313  1099.98    120.091  49.505  9.6590  44.758  2.4870  4.746685       9.974048  
1 1 1 -1  78  23 o 36.458  6.0260  787.565    229.639  1220.86    484.731  662.178    260.757  42.244  10.609  32.621  7.5324  9.623104       13.01094  
1 1 1 -1  78  24 o 56.148  5.7932  1849.46    347.246  0.0000     0.0000   1849.46    347.246  ?       ?       56.148  5.7932  0.000000       5.793174  
1 1 1 -1  78  25 o 30.311  9.4063  622.316    341.061  0.0000     0.0000   622.316    341.061  ?       ?       30.311  9.4063  0.000000       9.406346  
1 1 1 -1  79  1  o 49.414  3.0784  1330.98    163.943  1334.99    236.875  1327.29    227.131  49.311  4.4842  49.193  4.3063  0.1176720      6.217039  
1 1 1 -1  79  2  o 112.405 2.9213  6859.06    355.662  6827.16    508.301  6889.66    497.828  112.000 4.1902  112.526 4.0847  -0.5254211     5.851666  
1 1 1 -1  79  3  o 41.469  3.7206  942.448    165.334  961.086    226.913  921.355    241.393  41.661  5.1376  40.687  5.6285  0.9743385      7.620670  
1 1 1 -1  79  4  f 107.493 2.9141  6273.29    339.281  6218.87    480.449  6327.43    479.186  106.888 4.1500  107.824 4.1032  -0.9350052     5.835960  
1 1 1 -1  79  5  o 124.300 3.0345  8390.93    408.539  8245.06    582.245  8532.38    573.380  123.028 4.3695  125.176 4.2291  -2.148392      6.080964  
1 1 1 -1  79  6  o 89.047  2.8376  4305.33    273.677  4306.68    397.077  4304.11    377.723  88.933  4.1223  88.929  3.9216  0.3440857E-02  5.689663  
1 1 1 -1  79  7  o 75.469  2.9762  3093.81    243.275  2925.75    355.372  3242.02    333.733  73.112  4.5098  77.058  4.0125  -3.946091      6.036407  
1 1 1 -1  79  8  o 96.962  2.9408  5107.67    308.842  4933.91    445.103  5269.01    428.887  95.124  4.3201  98.346  4.0264  -3.221237      5.905550  
1 1 1 -1  79  9  o 104.882 2.9676  5977.49    337.109  6045.66    474.297  5907.89    479.230  105.305 4.1584  104.083 4.2510  1.222313       5.946738  
1 1 1 -1  79  10 o 54.157  3.4529  1602.57    201.486  1707.25    305.422  1521.91    268.100  55.618  5.1279  52.557  4.7614  3.060562       6.997574  
1 1 1 -1  79  11 o 127.431 3.1339  8832.58    432.551  8721.20    616.305  8940.72    607.235  126.333 4.5041  127.943 4.3820  -1.610748      6.284002  
1 1 1 -1  79  12 o 77.349  3.1076  3255.35    260.344  3469.45    395.222  3091.22    346.028  79.498  4.6098  75.098  4.2718  4.399780       6.284800  
1 1 1 -1  79  13 o 145.868 3.3442  11592.67   528.351  12018.47   768.456  11210.92   727.619  148.054 4.7921  143.028 4.6969  5.025986       6.710119  
1 1 1 -1  79  14 o 50.396  2.3650  1379.99    129.093  1502.89    339.120  1359.17    139.604  51.757  6.1711  49.932  2.5903  1.825130       6.692704  
1 1 1 -1  79  15 f 27.407  7.0599  435.715    210.853  343.415    334.507  496.566    271.606  26.066  9.3376  29.208  8.2320  -3.142046      12.44812  
1 1 1 -1  79  16 f 82.803  3.4032  3743.98    305.211  3407.49    454.491  4020.37    411.909  78.335  5.3895  85.439  4.4667  -7.103981      6.999885  
1 1 1 -1  79  17 o 38.486  5.8297  840.829    235.399  1272.26    396.320  605.661    292.605  46.674  8.1354  31.975  8.3561  14.69945       11.66233  
1 1 1 -1  79  18 o 29.450  6.9322  509.424    217.451  541.492    336.801  486.501    284.754  30.216  9.3426  28.695  8.5335  1.520748       12.65320  
1 1 1 -1  79  19 o 52.517  2.4493  1504.36    139.322  1538.74    406.435  1499.78    148.307  51.145  7.5652  52.411  2.6126  -1.266239      8.003641  
1 1 1 -1  79  20 o 59.395  3.8305  1959.63    245.105  1903.80    531.523  1974.71    276.229  55.461  9.1688  59.423  4.3214  -3.961990      10.13611  
1 1 1 -1  79  21 o 15.177  6.6426  -18.7454   207.935  45.774     540.137  -29.9708   225.298  24.035  10.606  15.590  6.8662  8.445068       12.63473  
1 1 1 -1  79  22 o 10.462  2.7407  62.273     31.429   -207.2879  446.665  63.614     31.507   19.490  9.0079  10.570  2.7322  8.920197       9.413170  
1 1 1 -1  79  23 o 18.967  7.3452  165.484    215.082  -74.1848   458.502  233.103    243.541  20.797  9.4274  21.074  7.8976  -0.2771721     12.29830  
1 1 1 -1  79  24 o 26.173  8.7951  437.445    294.509  0.0000     0.0000   437.445    294.509  ?       ?       26.173  8.7951  0.000000       8.795076  
1 1 1 -1  79  25 o 21.486  8.5301  224.854    296.267  0.0000     0.0000   224.854    296.267  ?       ?       21.486  8.5301  0.000000       8.530061  
1 1 1 -1  80  1  o 143.180 3.2117  11136.27   498.071  11083.54   704.893  11188.85   703.865  142.619 4.5633  143.300 4.5350  -0.6814117     6.433444  
1 1 1 -1  80  2  o 281.160 5.0564  43140.50   1539.81  41952.16   2178.44  44327.08   2176.82  276.127 7.2839  283.960 7.0778  -7.833069      10.15630  
1 1 1 -1  80  3  o 177.793 3.6061  17187.39   694.414  17567.97   985.396  16811.93   978.737  179.400 5.0713  175.476 5.1497  3.924286       7.227509  
1 1 1 -1  80  4  o 41.981  3.5590  965.061    160.302  955.889    226.784  974.219    226.618  41.528  5.1526  41.941  5.0932  -0.4126816     7.245023  
1 1 1 -1  80  5  o 96.379  2.8627  5044.09    298.832  5176.84    424.069  4913.15    421.169  97.512  4.0152  94.986  4.0938  2.525894       5.734200  
1 1 1 -1  80  6  o 26.290  5.1084  390.394    140.222  227.341    219.243  503.262    182.408  21.548  7.5762  29.804  5.8595  -8.256321      9.577761  
1 1 1 -1  80  7  o 117.009 3.0403  7439.71    385.310  7583.40    552.938  7304.08    537.222  117.929 4.3290  115.745 4.2853  2.184265       6.091309  
1 1 1 -1  80  8  o 53.712  3.3219  1574.94    192.307  1503.74    285.351  1634.18    260.299  52.191  5.1137  54.549  4.4443  -2.358429      6.775073  
1 1 1 -1  80  9  o 121.772 3.0437  8060.72    401.444  7959.26    569.508  8160.91    565.963  120.767 4.3539  122.304 4.2724  -1.537613      6.100053  
1 1 1 -1  80  10 o 167.497 3.5320  15275.76   640.758  15266.08   912.882  15285.16   899.603  166.974 5.0477  167.106 4.9704  -0.1321411     7.084062  
1 1 1 -1  80  11 o 193.686 4.0355  20473.44   846.569  20723.82   1136.72  20161.62   1268.56  194.275 5.4021  191.248 6.1241  3.026733       8.166261  
1 1 1 -1  80  12 o 228.528 4.2731  28551.38   1057.67  30389.77   1504.07  26752.97   1487.62  234.761 5.9152  220.043 6.2419  14.71776       8.599466  
1 1 1 -1  80  13 o 159.713 3.5077  13911.01   606.775  13847.80   873.751  13969.89   843.279  158.743 5.0819  159.531 4.8804  -0.7882538     7.045815  
1 1 1 -1  80  14 o 31.777  1.2058  547.362    41.501   300.292    333.120  551.257    41.827   25.179  9.2750  31.890  1.2110  -6.711451      9.353746  
1 1 1 -1  80  15 o 88.444  3.4653  4271.19    331.953  4253.62    503.097  4284.73    441.764  87.623  5.3263  88.181  4.6417  -0.5585403     7.065056  
1 1 1 -1  80  16 o 18.925  7.2418  144.402    207.316  -188.9969  331.373  358.824    265.747  17.349  7.9221  25.440  8.3484  -8.091125      11.50897  
1 1 1 -1  80  17 o 49.390  4.7719  1358.76    252.090  981.401    414.103  1580.94    317.752  40.253  9.6278  53.040  5.6166  -12.78688      11.14633  
1 1 1 -1  80  18 f 54.306  2.2057  1605.35    129.735  968.323    394.951  1682.40    137.357  39.789  9.3268  55.584  2.2815  -15.79477      9.601813  
1 1 1 -1  80  19 o 103.158 3.3934  5851.08    379.148  5973.95    569.233  5753.10    508.317  103.268 5.0892  101.641 4.6174  1.627502       6.871725  
1 1 1 -1  80  20 o 79.822  3.3872  3511.06    292.836  3522.01    619.015  3507.90    332.381  77.119  7.5060  79.583  3.8561  -2.464111      8.438614  
1 1 1 -1  80  21 o 34.678  6.4955  715.449    235.006  671.391    475.423  729.695    270.344  32.094  11.164  34.589  7.4373  -2.494953      13.41426  
1 1 1 -1  80  22 o 42.686  5.2175  1050.14    236.202  1013.90    497.447  1060.69    268.388  38.134  11.264  42.508  5.9959  -4.373783      12.76044  
1 1 1 -1  80  23 o 32.584  7.9132  672.786    276.490  0.0000     0.0000   672.786    276.490  ?       ?       32.584  7.9132  0.000000       7.913197  
1 1 1 -1  80  24 o 19.610  8.2980  105.701    304.140  0.0000     0.0000   105.701    304.140  ?       ?       19.610  8.2980  0.000000       8.297967  
1 1 1 -1  81  1  o 134.510 3.1263  9828.83    455.466  9408.89    649.573  10234.98   638.815  131.373 4.5651  137.070 4.3029  -5.696579      6.273391  
1 1 1 -1  81  2  o 138.055 3.1617  10354.89   472.762  9982.19    667.774  10729.41   669.401  135.312 4.5564  140.316 4.4046  -5.003693      6.337318  
1 1 1 -1  81  3  o 39.822  3.5978  869.438    153.504  798.056    224.897  931.700    210.039  37.782  5.6708  41.046  4.8160  -3.263592      7.439880  
1 1 1 -1  81  4  o 159.233 3.4151  13786.12   588.993  13621.62   836.544  13947.84   829.425  157.951 4.8899  159.857 4.7904  -1.906296      6.845377  
1 1 1 -1  81  5  o 142.354 3.1874  11014.08   491.444  11053.43   701.695  10976.19   688.506  142.342 4.5514  141.859 4.4810  0.4822083      6.387102  
1 1 1 -1  81  6  o 137.432 3.1502  10266.13   468.924  10790.87   670.409  9763.49    656.138  140.657 4.4006  133.766 4.5288  6.891373       6.314639  
1 1 1 -1  81  7  o 59.019  3.1426  1898.80    200.162  1875.78    288.949  1920.04    277.539  58.440  4.6022  59.171  4.3613  -0.7312431     6.340467  
1 1 1 -1  81  8  o 52.664  3.3796  1515.05    191.757  1543.82    284.544  1491.11    259.547  52.891  5.0275  52.043  4.6536  0.8478699      6.850652  
1 1 1 -1  81  9  o 77.112  2.9320  3232.09    244.882  3309.09    349.660  3157.97    343.064  77.770  4.1662  75.965  4.1858  1.805634       5.905760  
1 1 1 -1  81  10 o 56.630  3.4643  1752.85    211.464  1971.61    306.948  1555.22    291.743  59.836  4.7760  53.023  5.1448  6.813023       7.019903  
1 1 1 -1  81  11 o 48.215  2.1177  1261.77    110.588  1246.33    277.139  1264.69    120.606  47.307  5.5122  48.260  2.3073  -0.9536057     5.975636  
1 1 1 -1  81  12 o 37.594  4.9187  788.219    195.477  567.525    345.293  892.309    237.135  31.368  9.4125  39.868  5.6497  -8.499821      10.97792  
1 1 1 -1  81  13 o 24.060  6.9274  330.145    190.303  205.685    317.593  399.864    237.701  23.015  8.9220  26.441  7.7797  -3.425243      11.83749  
1 1 1 -1  81  14 o 46.732  4.5976  1210.26    229.702  1167.90    362.565  1238.66    296.886  45.000  7.7165  46.924  5.9773  -1.923580      9.760765  
1 1 1 -1  81  15 o 96.797  3.0195  5106.79    316.565  4849.79    513.056  5264.78    402.269  93.656  5.0767  98.104  3.7858  -4.448456      6.332910  
1 1 1 -1  81  16 o 87.066  2.9763  4134.28    280.668  3822.14    475.957  4300.68    347.520  82.916  5.3280  88.652  3.6193  -5.735840      6.441008  
1 1 1 -1  81  17 o 96.406  3.0001  5075.88    313.259  5081.82    494.562  5071.89    404.823  95.851  4.7638  96.093  3.8896  -0.2421417     6.150019  
1 1 1 -1  81  18 o 33.593  6.6355  662.139    232.869  748.874    376.022  608.179    296.589  34.730  9.6500  31.633  8.4824  3.097048       12.84811  
1 1 1 -1  81  19 o 29.576  7.2110  527.491    228.910  323.906    357.014  669.616    298.297  25.137  9.5308  32.946  8.3490  -7.808647      12.67057  
1 1 1 -1  81  20 o 39.505  6.4906  919.380    268.072  524.000    482.754  1095.65    322.336  29.756  11.125  42.826  7.2049  -13.07044      13.25467  
1 1 1 -1  81  21 o 6.4125  2.8056  -7.9221    37.069   708.914    460.006  -12.6074   37.190   32.688  10.992  6.2368  2.7661  26.45133       11.33455  
1 1 1 -1  81  22 o 27.953  7.5702  486.819    234.846  241.504    472.670  567.226    270.611  24.811  10.413  29.939  8.1338  -5.128395      13.21323  
1 1 1 -1  81  23 o 30.607  8.6085  609.229    297.339  0.0000     0.0000   609.229    297.339  ?       ?       30.607  8.6085  0.000000       8.608507  
1 1 1 -1  81  24 o 27.632  8.8342  497.319    298.716  0.0000     0.0000   497.319    298.716  ?       ?       27.632  8.8342  0.000000       8.834161  
1 1 1 -1  82  1  o 129.750 3.0727  9146.87    431.818  9040.52    611.180  9252.88    610.186  128.777 4.3819  130.292 4.3239  -1.515045      6.156028  
1 1 1 -1  82  2  o 83.481  2.7911  3784.39    252.364  3506.69    358.732  4056.48    355.089  80.123  4.1480  86.330  3.7976  -6.207291      5.623785  
1 1 1 -1  82  3  o 207.565 4.0147  23465.69   902.561  23759.21   1276.90  23172.63   1275.93  208.273 5.6605  205.658 5.7281  2.614929       8.053066  
1 1 1 -1  82  4  o 166.106 3.4805  15007.72   626.172  14685.40   888.954  15325.13   882.168  163.929 5.0067  167.505 4.8624  -3.575424      6.979297  
1 1 1 -1  82  5  o 26.226  5.0921  388.671    139.430  449.743    200.125  331.060    194.369  28.035  6.6848  24.239  7.0074  3.796343       9.684538  
1 1 1 -1  82  6  o 104.719 2.9348  5958.52    332.865  6065.92    485.401  5863.18    457.337  105.467 4.2493  103.719 4.0711  1.747955       5.884696  
1 1 1 -1  82  7  o 57.710  3.1864  1816.47    198.397  1758.77    286.779  1869.43    274.758  56.540  4.7263  58.367  4.3782  -1.826248      6.442508  
1 1 1 -1  82  8  o 19.653  6.2832  208.464    151.111  183.985    230.757  226.843    199.946  20.656  7.6980  21.106  7.2455  -0.4495411     10.57153  
1 1 1 -1  82  9  o 47.032  3.5314  1211.46    178.577  1220.42    256.153  1202.98    249.087  46.920  5.1237  46.603  5.0137  0.3176079      7.168633  
1 1 1 -1  82  10 o 72.840  3.0523  2886.53    240.806  2778.25    349.422  2984.48    332.323  71.119  4.5603  73.804  4.1744  -2.684929      6.182387  
1 1 1 -1  82  11 o 49.668  2.1597  1339.30    116.183  1475.16    281.708  1311.45    127.535  51.589  5.1088  49.134  2.3965  2.454273       5.642971  
1 1 1 -1  82  12 o 50.579  4.2723  1409.68    231.859  1761.81    364.842  1171.12    300.298  56.129  6.0995  45.599  6.2444  10.53019       8.729115  
1 1 1 -1  82  13 o 40.625  4.7372  918.220    204.530  411.933    323.648  1254.85    263.907  27.465  9.2200  47.457  5.2206  -19.99203      10.59541  
1 1 1 -1  82  14 o 95.442  3.2286  4968.09    333.751  4627.04    503.971  5234.51    445.424  91.490  5.1062  97.727  4.2081  -6.237030      6.616765  
1 1 1 -1  82  15 o 108.792 3.1405  6456.83    370.051  6241.29    570.313  6613.56    486.327  106.386 4.9495  109.826 4.0884  -3.440331      6.419657  
1 1 1 -1  82  16 o 49.669  2.2068  1341.63    118.720  1510.86    373.767  1322.64    125.204  51.379  6.8901  49.303  2.3446  2.076210       7.278086  
1 1 1 -1  82  17 o 16.105  6.6744  50.307     190.651  -168.8874  343.939  147.531    229.063  17.770  8.0975  19.401  7.5614  -1.630993      11.07900  
1 1 1 -1  82  18 o 76.679  3.7514  3242.70    311.556  3312.45    499.422  3198.26    398.634  76.167  6.1051  75.530  4.8993  0.6374817      7.827904  
1 1 1 -1  82  19 o 80.161  3.8104  3554.49    330.834  3565.09    542.557  3548.21    417.414  78.559  6.4329  79.429  4.8755  -0.8704147     8.071742  
1 1 1 -1  82  20 o 48.681  5.9205  1372.24    305.742  1331.74    597.270  1386.62    355.910  43.729  12.166  48.342  7.0012  -4.613533      14.03684  
1 1 1 -1  82  21 o 44.662  5.1528  1144.46    244.686  806.436    499.734  1251.05    280.626  34.310  11.457  46.439  5.6989  -12.12905      12.79615  
1 1 1 -1  82  22 o 27.695  7.3008  476.239    222.105  271.627    471.853  534.478    251.738  25.118  10.462  29.138  7.8153  -4.020594      13.05910  
1 1 1 -1  82  23 o 27.047  8.7730  470.061    293.790  0.0000     0.0000   470.061    293.790  ?       ?       27.047  8.7730  0.000000       8.773040  
1 1 1 -1  83  1  o 64.543  2.8449  2262.65    198.881  1962.84    285.541  2545.12    277.167  59.829  4.4380  68.277  3.7625  -8.447758      5.818309  
1 1 1 -1  83  2  o 116.950 2.9854  7431.08    378.152  7061.08    535.073  7800.29    534.503  113.795 4.3413  119.643 4.1247  -5.848076      5.988314  
1 1 1 -1  83  3  o 118.362 3.0113  7612.49    386.044  7944.56    547.802  7284.88    544.113  120.727 4.1894  115.577 4.3466  5.149521       6.036846  
1 1 1 -1  83  4  o 123.321 3.0517  8265.12    407.612  8185.17    585.167  8340.47    568.110  122.487 4.4108  123.678 4.2410  -1.190880      6.118950  
1 1 1 -1  83  5  o 85.329  2.8664  3955.78    264.909  3805.75    375.068  4105.12    374.210  83.548  4.1448  86.795  3.9806  -3.246567      5.746721  
1 1 1 -1  83  6  o 42.886  3.6560  1008.60    168.200  1222.76    269.641  872.196    215.202  46.940  5.4021  39.599  5.1387  7.341427       7.455838  
1 1 1 -1  83  7  o 105.851 2.9538  6090.66    338.646  6158.05    483.576  6025.80    474.392  106.230 4.2029  105.090 4.1678  1.140320       5.919021  
1 1 1 -1  83  8  o 50.089  3.5143  1372.98    189.448  1504.77    281.840  1264.36    255.877  52.173  5.0508  47.790  5.0183  4.383038       7.119936  
1 1 1 -1  83  9  o 39.379  3.9844  854.747    167.603  884.558    241.688  827.130    232.624  39.695  5.7920  38.363  5.7776  1.331921       8.180964  
1 1 1 -1  83  10 o 103.270 3.0035  5803.02    335.946  5477.92    482.231  6109.57    468.275  100.053 4.4499  105.750 4.0884  -5.696388      6.042914  
1 1 1 -1  83  11 o 170.055 3.5719  15773.47   657.899  15939.82   935.870  15610.94   925.044  170.333 5.0728  168.570 5.0665  1.763412       7.169580  
1 1 1 -1  83  12 o 110.487 3.1110  6650.15    372.285  6861.98    536.490  6453.41    517.031  111.894 4.4267  108.520 4.3988  3.374184       6.240640  
1 1 1 -1  83  13 o 16.390  6.6014  72.717     180.065  -73.8947   297.246  157.708    226.317  17.756  7.8500  19.786  7.5676  -2.030382      10.90375  
1 1 1 -1  83  14 o 35.662  5.7241  720.971    213.617  876.519    380.109  649.166    258.258  38.371  9.2536  33.387  7.3416  4.983551       11.81215  
1 1 1 -1  83  15 o ?       ?       -141.0091  31.148   -64.8889   333.196  -141.6802  31.285   18.885  8.3321  ?       ?       0.000000       8.332116  
1 1 1 -1  83  16 o 20.068  1.4644  219.698    31.610   70.241     311.061  221.257    31.775   20.147  8.4512  20.139  1.4668  0.8285522E-02  8.577517  
1 1 1 -1  83  17 o 83.212  3.5030  3804.11    315.716  3553.89    475.440  4001.49    422.255  79.398  5.5638  84.783  4.6156  -5.385193      7.229077  
1 1 1 -1  83  18 f 78.690  3.7672  3420.02    321.078  2894.09    480.695  3843.67    431.434  70.909  6.3254  82.775  4.8332  -11.86674      7.960527  
1 1 1 -1  83  19 o 47.317  5.8097  1290.09    291.486  1014.96    455.514  1480.86    379.314  39.399  10.489  49.971  7.2175  -10.57199      12.73200  
1 1 1 -1  83  20 o 26.605  8.6319  432.264    284.398  390.333    570.365  446.139    328.094  28.380  11.630  27.118  9.2822  1.261951       14.88025  
1 1 1 -1  83  21 o 23.721  7.5284  339.350    217.242  213.306    467.303  374.101    245.369  24.474  10.317  24.796  8.0149  -0.3228054     13.06434  
1 1 1 -1  83  22 o 21.424  7.9630  246.423    246.588  0.0000     0.0000   246.423    246.588  ?       ?       21.424  7.9630  0.000000       7.962962  
1 1 1 -1  83  23 o 20.872  8.3459  194.217    285.560  0.0000     0.0000   194.217    285.560  ?       ?       20.872  8.3459  0.000000       8.345930  
1 1 1 -1  84  1  o 87.721  2.8161  4179.87    267.561  4115.83    378.787  4243.64    377.990  86.909  4.0240  88.258  3.9542  -1.348541      5.641644  
1 1 1 -1  84  2  o 63.872  2.9502  2216.80    204.098  2354.26    288.626  2079.31    288.651  65.598  4.0826  61.588  4.3553  4.010323       5.969581  
1 1 1 -1  84  3  o 53.373  3.2020  1554.45    184.250  1507.49    276.389  1592.01    247.188  52.284  4.9392  53.861  4.2723  -1.576691      6.530571  
1 1 1 -1  84  4  f 125.298 3.0511  8533.99    414.072  8656.58    588.442  8413.76    582.771  125.961 4.3132  124.177 4.3330  1.783440       6.113775  
1 1 1 -1  84  5  o 149.973 3.3075  12236.59   537.258  12033.35   758.656  12441.06   760.945  148.371 4.7209  150.883 4.6563  -2.511566      6.630861  
1 1 1 -1  84  6  o 125.869 3.0833  8615.51    420.345  9029.98    597.521  8209.44    591.442  128.612 4.2895  122.591 4.4543  6.020882       6.183905  
1 1 1 -1  84  7  o 50.879  3.4872  1416.27    191.014  1107.01    269.042  1730.60    271.240  44.532  5.7094  56.093  4.5024  -11.56105      7.271154  
1 1 1 -1  84  8  o 98.992  2.9403  5329.34    315.251  4926.20    448.456  5723.18    443.254  94.935  4.3614  102.402 3.9964  -7.467392      5.915496  
1 1 1 -1  84  9  o 175.370 3.6223  16769.12   688.030  16588.36   974.927  16948.47   971.128  173.808 5.1788  175.720 5.1025  -1.911819      7.270215  
1 1 1 -1  84  10 o 118.683 3.0824  7668.18    396.234  7616.04    567.097  7717.92    553.856  117.949 4.4391  118.773 4.3053  -0.8242798     6.183955  
1 1 1 -1  84  11 o 31.434  5.3804  558.856    176.595  643.203    258.605  485.156    241.735  33.313  7.3632  28.912  7.6141  4.400423       10.59208  
1 1 1 -1  84  12 o 74.432  3.2351  3020.38    260.807  3100.78    383.754  2951.36    355.534  74.986  4.7496  73.216  4.5052  1.769592       6.546413  
1 1 1 -1  84  13 o 65.743  3.5128  2366.80    249.227  2366.25    383.496  2367.20    327.916  65.225  5.4792  65.478  4.6541  -0.2527618     7.189044  
1 1 1 -1  84  14 o 73.073  3.5151  2918.97    278.207  2775.13    445.281  3011.07    356.314  70.432  5.8912  73.875  4.4742  -3.442574      7.397612  
1 1 1 -1  84  15 o 51.555  4.1885  1470.81    231.861  944.520    360.110  1843.48    303.030  39.812  8.6023  57.540  4.9093  -17.72794      9.904595  
1 1 1 -1  84  16 o 34.766  6.0424  697.454    219.273  862.074    361.672  601.778    275.726  37.614  8.9984  31.664  8.0284  5.949539       12.05924  
1 1 1 -1  84  17 o 56.220  4.3077  1762.63    260.306  1902.70    405.166  1664.17    339.686  57.325  6.6490  53.939  5.9112  3.386375       8.896718  
1 1 1 -1  84  18 o 94.524  3.6724  4932.14    375.978  5017.66    592.333  4874.43    486.560  93.822  5.8583  93.211  4.8361  0.6104507      7.596509  
1 1 1 -1  84  19 o 37.803  7.1425  857.098    281.734  582.795    509.173  978.135    338.227  30.884  11.450  39.938  8.0962  -9.053459      14.02301  
1 1 1 -1  84  20 o 77.696  3.2376  3328.75    272.457  3069.39    694.027  3376.00    296.239  69.749  9.4286  78.127  3.5008  -8.378235      10.05751  
1 1 1 -1  84  21 o 40.409  5.7467  955.378    244.427  1065.94    498.469  920.380    280.460  39.052  11.202  39.046  6.8833  0.6771088E-02  13.14788  
1 1 1 -1  84  22 o 19.712  7.9804  152.784    264.635  0.0000     0.0000   152.784    264.635  ?       ?       19.712  7.9804  0.000000       7.980422  
1 1 1 -1  84  23 f 14.948  7.0773  -275.2886  304.837  0.0000     0.0000   -275.2886  304.837  ?       ?       14.948  7.0773  0.000000       7.077290  
1 1 1 -1  85  1  o 73.866  2.8544  2964.64    228.367  2868.35    322.786  3061.14    323.135  72.410  4.1329  74.834  4.0012  -2.424591      5.752398  
1 1 1 -1  85  2  o 66.153  2.9917  2378.73    214.358  2612.44    310.823  2166.75    296.015  69.083  4.1736  62.857  4.3753  6.226593       6.046710  
1 1 1 -1  85  3  o 85.438  2.8330  3966.48    262.157  4009.92    377.040  3925.83    364.758  85.752  4.0595  84.861  3.9685  0.8909531      5.676995  
1 1 1 -1  85  4  o 62.250  2.9916  2106.68    201.706  2150.15    288.483  2065.10    282.134  62.621  4.2790  61.365  4.2715  1.255447       6.046093  
1 1 1 -1  85  5  o 14.110  5.5476  63.514     124.186  92.243     188.154  41.338     165.306  17.211  6.8089  15.171  6.2442  2.040408       9.238560  
1 1 1 -1  85  6  o 38.715  4.0248  826.425    166.300  897.698    255.947  774.352    218.772  39.934  6.1120  37.145  5.6129  2.788979       8.298252  
1 1 1 -1  85  7  o 79.441  3.0975  3433.83    266.516  3430.09    377.545  3437.55    376.279  79.085  4.4254  79.175  4.4053  -0.9039307E-01 6.244244  
1 1 1 -1  85  8  o 82.452  2.9371  3698.11    262.292  3645.90    374.844  3748.19    367.151  81.561  4.2580  82.836  4.0922  -1.274864      5.905648  
1 1 1 -1  85  9  f 100.905 3.0033  5541.14    328.228  5529.51    472.807  5551.97    456.018  100.531 4.3422  100.773 4.1780  -0.2420654     6.025816  
1 1 1 -1  85  10 o 69.026  3.2277  2596.03    241.309  2495.06    364.353  2674.92    322.071  67.196  5.0430  69.779  4.2822  -2.582657      6.615789  
1 1 1 -1  85  11 o 95.015  3.0461  4917.38    313.477  4717.98    449.659  5105.93    437.249  92.759  4.4756  96.574  4.1802  -3.814583      6.124190  
1 1 1 -1  85  12 o 32.667  5.5386  604.838    188.964  726.004    291.097  516.595    248.419  35.268  7.8251  29.762  7.6611  5.506397       10.95097  
1 1 1 -1  85  13 o 69.141  3.4810  2618.14    259.842  2534.69    398.214  2680.01    342.904  67.466  5.4973  69.677  4.5690  -2.210884      7.148193  
1 1 1 -1  85  14 o 15.896  6.5385  52.354     181.113  58.429     285.901  48.282     234.070  19.346  8.1080  17.602  7.3535  1.744213       10.94594  
1 1 1 -1  85  15 o 38.830  5.2405  852.579    214.772  911.822    342.357  814.134    275.791  39.060  8.3458  37.315  7.0830  1.745060       10.94623  
1 1 1 -1  85  16 o 28.519  7.0248  483.795    215.570  399.961    360.060  530.634    269.136  26.945  9.6839  29.641  8.1361  -2.695501      12.64813  
1 1 1 -1  85  17 o 35.994  6.7617  765.696    253.930  491.156    411.571  934.434    322.663  28.969  10.360  39.345  7.8468  -10.37628      12.99588  
1 1 1 -1  85  18 o 62.899  4.4740  2215.81    302.808  2008.69    491.488  2342.53    384.437  57.795  8.0718  64.096  5.5937  -6.301094      9.820529  
1 1 1 -1  85  19 o 36.201  7.3253  793.176    277.359  1005.42    484.121  689.472    338.401  38.685  11.021  32.917  9.1575  5.767941       14.32904  
1 1 1 -1  85  20 o 55.354  2.7136  1681.44    162.696  1685.36    539.079  1681.05    170.653  50.717  10.168  55.237  2.8623  -4.519855      10.56284  
1 1 1 -1  85  21 o 22.787  7.5829  308.905    218.966  110.402    475.311  362.381    246.704  23.180  10.097  24.403  8.0455  -1.222347      12.91023  
1 1 1 -1  85  22 f 18.616  7.9529  64.910     284.025  0.0000     0.0000   64.910     284.025  ?       ?       18.616  7.9529  0.000000       7.952853  
1 1 1 -1  86  1  o 97.754  2.8679  5193.50    303.648  5036.54    429.260  5350.71    429.585  96.082  4.1249  99.054  4.0041  -2.972420      5.748682  
1 1 1 -1  86  2  o 36.368  4.0025  729.865    155.051  756.453    240.560  710.970    202.794  36.563  6.3021  35.612  5.4293  0.9506989      8.318275  
1 1 1 -1  86  3  o 44.330  3.5521  1077.00    169.120  1102.14    241.246  1052.70    237.150  44.576  5.0879  43.544  5.1265  1.031586       7.222712  
1 1 1 -1  86  4  o 29.869  4.7573  499.910    148.745  537.425    225.087  470.827    198.185  30.577  6.9536  28.653  6.5313  1.924013       9.539952  
1 1 1 -1  86  5  o 24.504  5.2497  341.751    135.137  387.448    202.486  305.051    181.463  26.004  7.0238  23.248  6.7852  2.756681       9.765872  
1 1 1 -1  86  6  o 45.903  3.4617  1154.30    170.843  1341.61    249.500  988.951    234.421  49.280  4.7327  42.133  5.2508  7.146324       7.068897  
1 1 1 -1  86  7  o 19.872  6.4985  211.042    161.072  184.288    238.926  233.331    218.079  20.806  7.8175  21.586  7.5580  -0.7796001     10.87365  
1 1 1 -1  86  8  o 67.308  3.0519  2465.85    222.491  2477.53    319.148  2454.81    310.336  67.143  4.4132  66.856  4.3087  0.2871323      6.167701  
1 1 1 -1  86  9  o 110.368 3.0431  6632.23    363.779  6254.63    521.270  6990.73    507.912  106.841 4.5046  113.053 4.1480  -6.212250      6.123497  
1 1 1 -1  86  10 o 35.776  4.9848  716.550    187.908  1042.91    291.190  483.668    245.978  42.896  6.4684  28.858  7.7192  14.03820       10.07106  
1 1 1 -1  86  11 o 85.557  3.0809  3988.29    285.500  3953.22    410.818  4021.04    397.051  84.778  4.4900  85.667  4.2792  -0.8887558     6.202549  
1 1 1 -1  86  12 o 119.953 3.1461  7846.38    408.745  8256.09    589.143  7466.13    567.567  122.627 4.4357  116.592 4.4945  6.035301       6.314718  
1 1 1 -1  86  13 o 65.802  3.6656  2376.79    260.208  2363.83    390.063  2387.19    349.285  65.048  5.5907  65.586  4.9536  -0.5370941     7.469535  
1 1 1 -1  86  14 o 39.090  4.9550  858.785    205.080  635.874    316.440  1020.21    269.286  32.552  8.7756  42.311  6.0483  -9.758873      10.65798  
1 1 1 -1  86  15 o 30.009  6.6466  529.700    210.339  647.315    351.927  464.336    262.355  32.523  9.4369  27.912  8.1620  4.611052       12.47690  
1 1 1 -1  86  16 o 53.929  4.4490  1625.69    257.549  1566.25    435.918  1657.56    319.221  51.145  8.1422  54.008  5.5353  -2.863205      9.845590  
1 1 1 -1  86  17 o 79.389  3.6924  3478.59    317.494  3023.45    481.192  3829.50    422.516  72.576  6.1804  82.674  4.7383  -10.09825      7.787691  
1 1 1 -1  86  18 o 25.594  8.2071  392.304    257.669  671.407    430.378  236.366    321.695  32.329  10.625  22.831  8.9434  9.498150       13.88790  
1 1 1 -1  86  19 o 19.321  7.8416  129.322    256.190  247.413    424.619  61.729     321.247  24.532  10.042  19.736  8.4453  4.795708       13.12113  
1 1 1 -1  86  20 o 53.142  5.3925  1625.90    306.081  1416.24    535.922  1727.39    372.878  45.545  10.990  54.095  6.4939  -8.549400      12.76529  
1 1 1 -1  86  21 o 43.845  5.1607  1109.75    240.381  705.736    513.794  1222.97    271.984  32.009  11.560  45.810  5.5981  -13.80136      12.84405  
1 1 1 -1  86  22 o 30.190  9.1461  597.753    324.877  0.0000     0.0000   597.753    324.877  ?       ?       30.190  9.1461  0.000000       9.146053  
1 1 1 -1  87  1  o 80.391  2.8159  3512.83    245.189  3296.71    350.728  3719.42    342.904  77.596  4.1887  82.592  3.8333  -4.995979      5.677916  
1 1 1 -1  87  2  o 39.376  3.9836  854.395    167.558  1053.80    231.206  633.813    243.171  43.584  4.9877  33.238  6.9770  10.34554       8.576447  
1 1 1 -1  87  3  o 64.249  3.0730  2245.62    213.844  2158.14    297.596  2339.00    307.488  62.685  4.4114  65.278  4.3743  -2.593102      6.212501  
1 1 1 -1  87  4  o 69.844  2.9096  2652.77    220.106  2531.99    315.134  2767.81    307.559  67.936  4.3050  71.100  4.0102  -3.163681      5.883452  
1 1 1 -1  87  5  o 64.087  2.9281  2233.88    203.246  2224.09    295.803  2242.63    279.735  63.644  4.3167  63.961  4.0590  -0.3164330     5.925309  
1 1 1 -1  87  6  o 122.738 3.0938  8199.03    411.287  7999.31    590.646  8387.02    573.049  120.896 4.5107  123.858 4.2717  -2.962372      6.212374  
1 1 1 -1  87  7  o 44.941  3.8025  1110.12    183.350  1027.40    259.489  1192.60    259.105  42.810  5.7409  46.293  5.2611  -3.482391      7.786978  
1 1 1 -1  87  8  o 58.833  3.3120  1892.27    210.188  1909.80    294.895  1874.17    299.665  58.837  4.6657  58.253  4.7920  0.5844421      6.688235  
1 1 1 -1  87  9  o 38.746  4.4910  833.528    184.978  896.583    290.625  790.589    239.829  39.557  7.0413  37.327  6.1461  2.230228       9.346374  
1 1 1 -1  87  10 o 99.148  2.9376  5352.62    315.465  5287.00    483.897  5401.13    416.025  98.167  4.5511  99.400  3.8642  -1.232834      5.970307  
1 1 1 -1  87  11 o 27.929  6.0272  448.739    176.975  469.146    261.042  431.381    240.749  28.412  8.0922  27.293  7.7706  1.119522       11.21906  
1 1 1 -1  87  12 o 63.128  3.6208  2186.70    246.539  2106.08    358.027  2259.40    339.990  61.449  5.4354  63.815  4.9579  -2.365204      7.356919  
1 1 1 -1  87  13 o 76.858  3.3621  3230.66    279.880  3166.87    425.434  3279.33    371.622  75.401  5.2420  77.022  4.4740  -1.621208      6.891631  
1 1 1 -1  87  14 o 75.084  3.3957  3089.70    276.148  3100.61    424.901  3081.72    363.348  74.412  5.3068  74.518  4.5233  -0.1063232     6.972937  
1 1 1 -1  87  15 o 48.019  4.5204  1290.61    232.336  1281.63    375.218  1296.20    295.883  46.478  7.7248  47.612  5.8615  -1.133869      9.696867  
1 1 1 -1  87  16 o 39.600  6.1381  909.481    254.750  1012.15    416.658  848.186    321.934  40.077  9.7026  37.325  8.1885  2.752438       12.69613  
1 1 1 -1  87  17 f 22.083  7.9346  259.648    241.715  320.577    402.792  225.358    302.171  25.686  10.022  22.351  8.6920  3.335201       13.26654  
1 1 1 -1  87  18 o 14.283  6.6172  -168.5247  243.161  -317.4669  415.285  -90.8212   299.956  17.933  8.4194  17.103  7.7004  0.8303604      11.40977  
1 1 1 -1  87  19 o 82.896  3.9360  3822.71    353.394  3769.95    565.817  3856.45    452.509  80.241  6.5679  82.392  5.0958  -2.150162      8.312941  
1 1 1 -1  87  20 o 52.545  5.4961  1595.62    308.161  1861.78    542.951  1469.14    374.287  53.540  9.7210  49.316  7.2211  4.223595       12.10957  
1 1 1 -1  87  21 o 28.028  8.0250  496.036    256.025  0.0000     0.0000   496.036    256.025  ?       ?       28.028  8.0250  0.000000       8.024958  
1 1 1 -1  88  1  o 91.885  2.8857  4590.99    287.190  4433.24    401.043  4757.03    411.454  90.104  4.1094  93.344  4.0697  -3.239868      5.783587  
1 1 1 -1  88  2  o 69.325  2.9572  2613.99    222.046  2777.51    316.617  2455.72    311.486  71.199  4.1234  66.894  4.3223  4.305214       5.973607  
1 1 1 -1  88  3  o 161.219 3.4340  14159.60   599.628  14134.09   852.219  14184.60   843.847  160.583 4.8998  160.892 4.8424  -0.3090973     6.888907  
1 1 1 -1  88  4  o 54.096  3.1126  1597.90    181.601  1596.61    267.772  1598.99    247.115  53.807  4.6401  53.922  4.2660  -0.1149025     6.303124  
1 1 1 -1  88  5  o 54.934  3.1613  1648.32    187.298  1816.58    283.134  1517.39    249.754  57.417  4.5912  52.477  4.4357  4.940556       6.383928  
1 1 1 -1  88  6  o 136.851 3.2053  10200.27   475.100  9918.06    668.837  10487.70   674.991  134.544 4.5897  138.383 4.5034  -3.839645      6.430139  
1 1 1 -1  88  7  o 55.280  3.4069  1672.26    202.991  1586.94    287.852  1756.67    286.300  53.517  5.0249  56.398  4.7306  -2.881443      6.901278  
1 1 1 -1  88  8  o 102.811 3.0408  5756.10    338.606  5599.51    482.934  5907.52    474.890  101.095 4.4105  103.889 4.2204  -2.793884      6.104413  
1 1 1 -1  88  9  o 124.550 3.1743  8453.79    428.217  8130.95    614.070  8759.38    597.452  121.712 4.6582  126.431 4.3629  -4.719551      6.382300  
1 1 1 -1  88  10 o 64.327  3.4014  2264.58    236.146  2590.00    356.245  2009.50    315.395  68.456  4.8358  60.246  4.8752  8.209217       6.866802  
1 1 1 -1  88  11 o 56.784  3.6968  1771.16    226.121  1859.42    319.664  1682.77    319.903  57.810  5.1595  54.887  5.4534  2.923386       7.507362  
1 1 1 -1  88  12 o 36.066  5.2289  734.427    198.299  926.508    305.924  595.243    260.414  39.911  7.3478  31.776  7.6569  8.135054       10.61215  
1 1 1 -1  88  13 o 13.865  6.1138  -41.5379   179.153  -146.5484  284.488  27.474     230.628  16.210  7.3782  17.025  7.2162  -0.8149834     10.32044  
1 1 1 -1  88  14 o 22.601  7.2506  290.780    201.092  327.460    342.667  271.513    248.355  25.306  9.3907  22.675  8.0539  2.631037       12.37137  
1 1 1 -1  88  15 f 49.251  4.6159  1360.78    243.359  1202.16    381.159  1469.94    316.197  44.672  8.1791  50.684  5.8684  -6.012108      10.06659  
1 1 1 -1  88  16 o 16.928  7.2449  21.286     236.488  185.257    396.042  -69.5783   294.820  23.480  9.6647  17.340  7.7333  6.140076       12.37778  
1 1 1 -1  88  17 o 37.893  6.5315  846.370    258.391  627.623    425.616  974.054    325.172  31.498  10.573  40.093  7.7688  -8.594667      13.12038  
1 1 1 -1  88  18 o 34.568  7.2646  724.995    263.348  736.502    450.111  719.006    324.728  33.382  10.861  33.705  8.8002  -0.3236923     13.97848  
1 1 1 -1  88  19 o 25.546  8.3537  397.872    266.171  146.364    446.490  536.532    331.520  23.343  9.9717  29.042  9.3089  -5.698477      13.64147  
1 1 1 -1  88  20 o 73.276  4.6414  3040.84    366.466  2576.37    615.027  3296.52    456.318  63.576  9.1990  75.552  5.6165  -11.97592      10.77813  
1 1 1 -1  88  21 o 99.198  4.8730  5583.56    523.558  0.0000     0.0000   5583.56    523.558  ?       ?       99.198  4.8730  0.000000       4.872965  
1 1 1 -1  89  1  o 70.935  2.8532  2736.55    219.216  2721.64    313.654  2750.79    306.506  70.462  4.1279  70.864  4.0099  -0.4017258     5.754853  
1 1 1 -1  89  2  o 43.314  3.5136  1029.22    163.417  1093.17    241.996  975.617    221.567  44.338  5.1342  41.888  4.9813  2.450047       7.153593  
1 1 1 -1  89  3  o 73.876  2.9554  2969.48    236.474  2934.50    349.243  2999.10    321.346  73.097  4.4321  73.990  4.0250  -0.8924484     5.987047  
1 1 1 -1  89  4  o 81.557  2.8692  3618.50    253.451  4053.45    374.422  3250.64    344.334  86.134  4.0134  77.004  4.1438  9.130226       5.768743  
1 1 1 -1  89  5  o 51.459  3.2739  1448.46    181.521  1347.00    260.164  1544.70    253.388  49.297  4.9390  52.928  4.4617  -3.631004      6.655828  
1 1 1 -1  89  6  o 52.466  3.4313  1507.20    193.916  1475.87    270.439  1540.35    278.202  51.624  4.8952  52.742  4.9272  -1.117500      6.945478  
1 1 1 -1  89  7  o 47.723  3.6561  1250.34    187.545  1381.35    263.098  1115.01    267.411  49.911  4.9314  44.615  5.6613  5.296146       7.507886  
1 1 1 -1  89  8  o 43.839  4.2212  1061.70    197.958  1419.95    299.699  784.434    263.660  50.430  5.5804  36.985  6.8336  13.44543       8.822664  
1 1 1 -1  89  9  o 31.409  5.9050  563.462    193.510  597.238    282.553  533.625    265.565  31.906  8.1476  30.207  7.9928  1.699068       11.41352  
1 1 1 -1  89  10 o 39.353  4.7606  864.327    198.785  1014.59    280.819  713.409    281.432  42.243  6.3329  34.926  7.6512  7.316181       9.932061  
1 1 1 -1  89  11 o 63.864  3.4997  2237.47    241.154  2191.86    341.536  2282.82    340.553  62.769  5.0669  64.106  4.9429  -1.337112      7.078533  
1 1 1 -1  89  12 o 74.614  3.2935  3046.18    266.161  3120.39    395.443  2984.72    359.881  74.903  4.9013  73.384  4.5503  1.519524       6.687898  
1 1 1 -1  89  13 o 60.398  3.7130  2013.02    241.720  1748.37    368.545  2212.81    320.214  55.322  6.2609  62.980  4.7288  -7.658455      7.846055  
1 1 1 -1  89  14 o 147.269 3.4453  11919.69   549.555  12157.91   804.769  11711.55   752.261  147.510 5.0371  144.991 4.7903  2.519684       6.951163  
1 1 1 -1  89  15 o 113.697 3.3425  7104.46    411.619  6997.95    609.483  7193.77    558.135  111.811 5.0328  113.715 4.5316  -1.904114      6.772308  
1 1 1 -1  89  16 o 71.574  3.8523  2841.20    297.540  2914.97    450.619  2784.17    396.187  71.406  5.8787  70.148  5.2526  1.257347       7.883480  
1 1 1 -1  89  17 o 36.281  6.8172  784.367    258.055  800.203    427.217  775.269    323.801  34.975  10.464  35.241  8.5667  -0.2653503     13.52350  
1 1 1 -1  89  18 o 63.867  4.3912  2291.66    301.913  1941.61    486.607  2510.76    384.971  56.319  8.2194  66.258  5.4116  -9.938820      9.840923  
1 1 1 -1  89  19 o 42.386  2.4082  986.541    110.101  1034.80    472.061  983.765    113.224  38.898  10.814  42.309  2.4817  -3.410892      11.09498  
1 1 1 -1  89  20 o 42.521  6.6728  1082.01    297.193  1456.38    524.141  904.618    360.798  46.349  10.663  37.398  9.0132  8.950378       13.96186  
1 1 1 -1  90  1  o 152.165 3.3302  12616.28   548.853  12056.74   778.370  13169.61   774.039  148.247 4.8476  155.034 4.6096  -6.786240      6.689409  
1 1 1 -1  90  2  o 129.879 3.1221  9184.82    439.190  8979.64    623.034  9387.48    619.201  128.050 4.4922  130.966 4.3652  -2.916290      6.263787  
1 1 1 -1  90  3  f 40.855  3.8980  919.746    170.398  930.729    255.298  910.923    228.828  40.643  5.9782  40.350  5.3693  0.2930641      8.035416  
1 1 1 -1  90  4  o 23.985  5.8034  329.970    149.126  452.448    207.820  199.961    214.114  27.984  6.9001  20.587  7.4582  7.397287       10.16050  
1 1 1 -1  90  5  o 31.663  4.5207  560.079    150.635  567.950    218.224  552.916    208.191  31.425  6.6205  31.043  6.4046  0.3820572      9.211369  
1 1 1 -1  90  6  o 50.036  3.5395  1372.64    190.582  1357.46    266.143  1388.62    273.036  49.447  5.0399  49.999  5.1138  -0.5521431     7.179902  
1 1 1 -1  90  7  o 85.017  3.0092  3936.63    277.092  3899.95    394.239  3972.45    389.537  84.256  4.3347  85.169  4.2227  -0.9128952     6.051550  
1 1 1 -1  90  8  o 56.761  3.7574  1768.92    229.694  1926.17    329.253  1619.83    320.593  58.881  5.2168  53.858  5.5766  5.023113       7.636307  
1 1 1 -1  90  9  o 78.732  3.1728  3381.58    270.561  3333.92    381.790  3429.66    383.478  77.748  4.5537  78.874  4.5076  -1.126190      6.407356  
1 1 1 -1  90  10 f 14.858  6.2987  13.754     175.759  21.222     245.448  5.8943     251.794  17.479  7.4282  17.422  7.4665  0.5737686E-01  10.53222  
1 1 1 -1  90  11 o 98.812  3.0870  5334.63    330.385  5346.40    475.884  5323.67    459.042  98.448  4.4630  98.299  4.3116  0.1496124      6.205441  
1 1 1 -1  90  12 o 95.052  3.1693  4945.69    326.288  5154.70    478.545  4764.10    446.049  96.481  4.5794  92.816  4.4370  3.664848       6.376354  
1 1 1 -1  90  13 o 81.699  2.9073  3651.62    257.261  3634.67    461.244  3659.27    309.951  80.399  5.3269  81.597  3.5071  -1.197701      6.377752  
1 1 1 -1  90  14 o 47.385  2.4541  1228.56    125.522  1674.96    385.663  1175.68    132.750  53.707  6.7810  46.310  2.6577  7.397167       7.283265  
1 1 1 -1  90  15 o 21.522  7.6438  246.449    223.699  194.978    381.339  273.455    276.218  23.364  9.5346  22.990  8.4493  0.3737888      12.73963  
1 1 1 -1  90  16 o 26.013  7.6787  408.266    231.236  446.733    353.988  379.634    305.401  27.511  9.6294  25.654  8.9462  1.856665       13.14383  
1 1 1 -1  90  17 o 25.807  8.0905  403.695    251.591  429.192    421.130  389.544    313.732  27.536  10.372  25.806  9.0635  1.729868       13.77435  
1 1 1 -1  90  18 o 47.982  5.5434  1328.66    282.781  1032.11    479.226  1487.07    350.260  38.968  10.918  50.175  6.6057  -11.20736      12.76061  
1 1 1 -1  90  19 o 38.244  2.4764  804.440    102.029  1150.99    475.300  787.699    104.464  41.213  10.591  37.821  2.5653  3.392357       10.89689  
1 1 1 -1  91  1  o 48.997  3.3279  1314.23    175.558  1201.26    245.760  1431.95    250.872  46.521  4.9537  50.915  4.5989  -4.394058      6.759328  
1 1 1 -1  91  2  o 61.417  3.0988  2059.19    205.470  2130.93    293.563  1990.30    287.683  62.237  4.3829  60.123  4.4493  2.113636       6.245541  
1 1 1 -1  91  3  o 66.223  2.9949  2387.33    214.817  2374.65    307.363  2399.44    300.352  65.721  4.3424  66.093  4.2177  -0.3717194     6.053545  
1 1 1 -1  91  4  o 33.275  4.3274  616.080    152.269  621.315    221.582  611.395    209.599  32.935  6.4424  32.736  6.1369  0.1991272      8.897481  
1 1 1 -1  91  5  o 83.774  2.8919  3820.19    262.401  3822.64    385.400  3818.06    358.267  83.442  4.2788  83.565  3.9583  -0.1224060     5.828934  
1 1 1 -1  91  6  f 64.332  3.1410  2255.55    218.857  2268.92    321.452  2244.00    298.808  64.117  4.6607  63.840  4.3473  0.2769508      6.373534  
1 1 1 -1  91  7  o 62.891  3.3197  2164.12    225.329  2326.17    347.372  2046.41    296.067  64.805  4.9873  60.884  4.5220  3.920673       6.732117  
1 1 1 -1  91  8  o 80.720  3.1030  3553.68    271.290  3464.99    387.420  3639.00    380.012  79.267  4.5313  81.301  4.3311  -2.034332      6.268283  
1 1 1 -1  91  9  o 54.045  3.7510  1607.41    218.214  1624.31    306.021  1589.93    311.249  53.906  5.3103  53.277  5.4716  0.6295357      7.624761  
1 1 1 -1  91  10 o 26.591  6.5216  413.106    186.399  373.693    260.597  454.395    266.727  25.624  8.2575  27.814  8.2561  -2.190344      11.67687  
1 1 1 -1  91  11 o 58.310  3.5550  1872.40    223.447  1628.37    328.307  2083.00    304.984  53.640  5.7400  61.167  4.6380  -7.526943      7.379611  
1 1 1 -1  91  12 o 87.697  2.9228  4206.73    277.625  4289.17    458.496  4159.01    348.846  87.670  4.8474  86.936  3.7048  0.7337494      6.101012  
1 1 1 -1  91  13 o 77.679  2.9225  3302.39    245.883  2871.24    450.915  3484.85    293.332  71.077  5.9109  79.649  3.4002  -8.572197      6.819135  
1 1 1 -1  91  14 o 29.666  1.6285  479.698    52.127   128.883    392.033  486.011    52.594   22.620  9.4879  29.861  1.6323  -7.240887      9.627257  
1 1 1 -1  91  15 o 61.578  2.8549  2077.32    190.405  2604.51    464.261  1970.71    208.770  67.124  6.4658  59.796  3.2355  7.327885       7.230134  
1 1 1 -1  91  16 o 40.955  5.6378  968.305    243.456  820.398    374.268  1076.80    320.541  35.814  9.4946  42.435  7.2336  -6.620384      11.93614  
1 1 1 -1  91  17 o 24.141  8.0585  344.019    247.226  142.696    404.408  464.155    312.399  22.684  9.5819  27.459  9.0536  -4.774660      13.18258  
1 1 1 -1  91  18 o 30.906  7.9144  596.771    266.085  341.385    457.165  727.609    327.222  26.199  10.530  33.699  8.8511  -7.499640      13.75605  
1 1 1 -1  91  19 o 51.398  2.0907  1442.39    116.387  594.091    464.997  1499.09    120.214  30.321  10.990  52.393  2.1184  -22.07165      11.19236  
1 1 1 -1  92  1  o 114.042 2.9664  7080.37    366.405  7133.63    521.404  7028.40    515.007  114.164 4.2167  113.325 4.1958  0.8392563      5.948590  
1 1 1 -1  92  2  o 137.136 3.1764  10247.13   471.805  10417.47   672.516  10082.03   662.072  137.847 4.5044  135.608 4.5076  2.238739       6.372463  
1 1 1 -1  92  3  o 82.023  2.9084  3662.58    258.381  3724.83    369.448  3602.98    361.492  82.392  4.1533  81.035  4.1324  1.357033       5.858927  
1 1 1 -1  92  4  o 83.452  2.8489  3791.16    257.505  3985.41    372.846  3613.99    356.066  85.341  4.0337  81.265  4.0454  4.076256       5.712764  
1 1 1 -1  92  5  o 88.255  2.8648  4241.33    273.847  4453.16    395.317  4045.89    379.710  90.186  4.0470  85.956  4.0786  4.230179       5.745718  
1 1 1 -1  92  6  o 59.763  3.1953  1953.58    206.084  1655.95    295.683  2234.75    287.387  54.587  5.0587  63.713  4.1879  -9.126869      6.567198  
1 1 1 -1  92  7  o 70.168  3.2022  2687.07    243.365  2593.58    351.136  2773.49    337.602  68.460  4.7652  70.911  4.4176  -2.450142      6.497869  
1 1 1 -1  92  8  o 26.244  6.2756  400.029    175.975  322.492    254.708  470.839    243.408  24.298  8.1791  28.313  7.7234  -4.014774      11.24939  
1 1 1 -1  92  9  f 115.893 3.1476  7340.55    395.102  7403.90    560.123  7277.82    557.404  115.859 4.4636  114.861 4.4805  0.9986343      6.324442  
1 1 1 -1  92  10 o 92.694  3.0967  4699.58    310.901  4522.55    445.847  4867.15    433.762  90.298  4.5736  93.917  4.2642  -3.619324      6.253073  
1 1 1 -1  92  11 o 44.093  4.6316  1089.76    217.890  1006.20    322.319  1160.07    295.686  41.267  7.4870  44.916  6.2472  -3.648697      9.751028  
1 1 1 -1  92  12 o 46.685  4.5111  1219.62    225.259  1344.21    345.776  1127.77    296.908  48.089  6.8305  44.171  6.3919  3.918919       9.354847  
1 1 1 -1  92  13 o 50.514  4.4725  1427.45    242.169  1549.05    388.827  1350.39    309.535  51.417  7.1777  48.503  6.0217  2.914089       9.369074  
1 1 1 -1  92  14 o 68.342  3.9223  2591.13    289.120  3062.78    477.736  2318.56    363.178  73.140  6.0859  64.014  5.2854  9.125542       8.060626  
1 1 1 -1  92  15 o 44.678  2.0363  1087.67    98.540   1063.29    421.035  1089.08    101.355  40.874  9.6629  44.699  2.0935  -3.825016      9.887046  
1 1 1 -1  92  16 o 65.151  4.1310  2370.55    289.995  2409.05    451.826  2343.59    378.166  64.221  6.5890  64.036  5.5060  0.1852036      8.586632  
1 1 1 -1  92  17 o 31.891  7.6781  627.985    262.032  636.128    394.507  621.557    350.518  31.306  10.167  31.087  9.5175  0.2188339      13.92655  
1 1 1 -1  92  18 o 51.187  5.6102  1514.11    305.937  1207.17    494.072  1705.00    389.620  42.238  10.768  53.544  6.8773  -11.30640      12.77640  
1 1 1 -1  93  1  o 56.843  3.1476  1766.53    193.036  1831.36    270.363  1699.12    275.704  57.634  4.3635  55.438  4.6341  2.195759       6.365114  
1 1 1 -1  93  2  f 60.052  3.0811  1970.38    199.727  1771.93    291.287  2146.46    274.383  56.575  4.7989  62.483  4.0767  -5.908035      6.296715  
1 1 1 -1  93  3  o 38.052  3.8215  799.624    155.374  944.780    235.831  688.289    206.537  41.022  5.4422  34.855  5.6656  6.167133       7.855967  
1 1 1 -1  93  4  o 76.556  2.8887  3192.58    239.524  3206.20    347.571  3180.27    330.546  76.356  4.2191  76.097  4.0248  0.2581787      5.830912  
1 1 1 -1  93  5  f 132.293 3.1374  9546.90    449.547  9562.21    641.511  9532.12    630.153  131.900 4.4904  131.724 4.4168  0.1762085      6.298588  
1 1 1 -1  93  6  o 76.149  3.0467  3163.42    251.284  3611.70    375.325  2799.24    338.292  80.966  4.2953  71.219  4.4072  9.747299       6.154112  
1 1 1 -1  93  7  o 89.782  3.0692  4400.81    298.459  4315.41    427.887  4481.73    416.512  88.395  4.4839  90.267  4.2602  -1.871323      6.185034  
1 1 1 -1  93  8  o 91.968  3.0725  4621.35    306.059  4636.84    437.595  4606.50    428.223  91.695  4.4061  91.425  4.3245  0.2702560      6.173748  
1 1 1 -1  93  9  o 33.527  5.7094  645.085    199.897  689.553    295.628  607.628    271.326  33.898  8.1519  31.876  7.8990  2.022104       11.35110  
1 1 1 -1  93  10 o 34.623  5.9314  691.680    214.428  858.975    324.541  562.068    285.661  37.798  8.1659  30.502  8.3861  7.296249       11.70508  
1 1 1 -1  93  11 o 66.167  3.7852  2418.60    270.141  1694.62    404.847  2999.67    362.694  53.976  7.0970  73.384  4.5862  -19.40781      8.449899  
1 1 1 -1  93  12 o 48.808  4.5777  1334.44    239.168  1497.32    354.694  1198.63    323.874  50.867  6.5930  45.341  6.8051  5.526367       9.475106  
1 1 1 -1  93  13 o 60.362  4.1113  2026.71    267.187  2428.57    445.458  1800.90    333.922  64.927  6.4185  56.273  5.5510  8.654057       8.485884  
1 1 1 -1  93  14 o 75.034  3.9132  3123.64    316.924  2807.54    501.012  3334.49    409.195  69.516  6.7388  76.998  4.9326  -7.481476      8.351117  
1 1 1 -1  93  15 o 36.691  5.9086  784.391    226.836  936.084    414.306  719.452    271.076  38.058  9.9418  34.425  7.4837  3.633106       12.44370  
1 1 1 -1  93  16 o 59.206  4.4133  1969.44    280.975  1928.24    443.757  1997.01    363.013  56.809  7.3868  58.887  5.7655  -2.077930      9.370438  
1 1 1 -1  93  17 f 24.637  7.9517  365.808    241.580  504.163    389.575  279.366    307.935  28.532  10.092  23.257  8.8435  5.274927       13.41860  
1 1 1 -1  93  18 o 14.942  6.8370  -124.5069  248.460  -323.1749  419.615  -17.2491   308.320  17.843  8.4039  18.191  8.0210  -0.3476219     11.61729  
1 1 1 -1  94  1  o 9.5340  4.5165  -146.5428  124.463  -227.6666  185.449  -80.0519   167.892  11.482  5.4608  12.766  5.7531  -1.283497      7.932093  
1 1 1 -1  94  2  o 66.801  3.0980  2433.67    224.147  2339.49    312.895  2532.96    321.254  65.104  4.4643  67.772  4.4004  -2.667908      6.268420  
1 1 1 -1  94  3  o 90.577  2.9597  4472.54    290.355  4439.30    421.084  4502.66    400.908  89.904  4.3244  90.611  4.0850  -0.7075653     5.948731  
1 1 1 -1  94  4  o 84.348  2.9580  3879.81    270.238  3832.65    391.728  3922.64    373.286  83.390  4.3522  84.549  4.0763  -1.159660      5.963038  
1 1 1 -1  94  5  o 55.317  3.4443  1680.00    205.338  2185.18    352.237  1419.95    252.722  62.596  5.2437  50.539  4.6696  12.05626       7.021555  
1 1 1 -1  94  6  o 62.318  3.4716  2132.28    233.389  2204.57    354.583  2077.02    310.014  62.822  5.2595  61.150  4.7172  1.672695       7.065055  
1 1 1 -1  94  7  o 54.787  3.7511  1655.26    221.254  1600.09    334.088  1698.35    295.291  53.168  5.9011  55.122  5.0004  -1.954369      7.734812  
1 1 1 -1  94  8  o 27.942  6.3819  457.326    188.908  716.345    291.447  269.661    248.076  34.607  7.9436  22.698  8.0508  11.90915       11.30996  
1 1 1 -1  94  9  o 79.028  3.4870  3428.60    298.474  3604.39    435.654  3273.09    409.748  80.299  5.0346  76.536  4.9698  3.762199       7.074318  
1 1 1 -1  94  10 o 51.341  4.2868  1467.48    236.197  1448.70    354.117  1482.53    317.020  50.056  6.6996  51.024  5.8417  -0.9681206     8.888772  
1 1 1 -1  94  11 o 50.236  4.4652  1410.17    240.420  1388.12    364.774  1427.11    319.682  48.724  7.1225  49.921  6.0349  -1.197147      9.335395  
1 1 1 -1  94  12 o 29.551  6.9782  521.291    219.779  789.758    329.130  305.248    295.251  35.853  8.5886  24.032  8.7501  11.82090       12.26088  
1 1 1 -1  94  13 o 39.275  5.4321  883.677    224.890  805.801    347.707  939.683    294.869  35.969  8.9588  39.804  7.1000  -3.834896      11.43110  
1 1 1 -1  94  14 o 36.158  6.3746  768.996    240.526  931.947    416.757  687.610    294.529  38.041  9.9876  33.387  8.2036  4.654434       12.92484  
1 1 1 -1  94  15 o 21.634  7.8600  247.773    238.052  162.198    401.852  294.039    295.476  23.001  9.6241  23.531  8.7225  -0.5308990     12.98865  
1 1 1 -1  94  16 o 79.466  3.0113  3473.01    259.184  3132.83    501.284  3597.13    302.798  73.326  6.3753  80.673  3.4654  -7.347351      7.256258  
1 1 1 -1  94  17 o 21.230  7.8637  233.846    240.075  82.840     388.960  326.778    305.133  21.489  9.2465  24.223  8.8838  -2.733685      12.82266  
1 1 1 -1  95  1  o 38.798  4.0514  834.833    167.737  907.079    261.104  784.066    218.875  39.854  6.2548  37.187  5.6085  2.666191       8.401059  
1 1 1 -1  95  2  o 35.644  4.1364  706.855    156.721  774.867    233.083  650.735    211.726  36.824  6.0545  33.688  6.0237  3.135750       8.540598  
1 1 1 -1  95  3  o 80.875  2.8884  3567.77    253.014  3466.57    368.042  3658.46    348.397  79.262  4.3032  81.644  3.9398  -2.382111      5.834362  
1 1 1 -1  95  4  o 131.226 3.1911  9411.41    453.558  9850.65    650.577  8996.03    632.655  133.655 4.4941  127.684 4.5747  5.970749       6.412835  
1 1 1 -1  95  5  o 11.177  5.2544  -165.6221  162.685  -53.2031   236.379  -266.7950  224.244  15.869  7.0088  12.629  6.0056  3.239904       9.229855  
1 1 1 -1  95  6  o 72.396  3.2475  2868.79    254.647  2856.39    363.604  2880.73    356.746  71.678  4.7098  72.028  4.5968  -0.3500519     6.581247  
1 1 1 -1  95  7  o 57.903  3.7913  1851.25    236.456  1874.33    377.805  1836.40    303.177  57.375  6.1769  57.292  4.9339  0.8363342E-01  7.905525  
1 1 1 -1  95  8  o 67.229  3.7201  2492.88    269.831  2175.31    405.886  2744.38    361.206  61.817  6.1435  70.142  4.7831  -8.324871      7.785925  
1 1 1 -1  95  9  o 93.225  3.3564  4767.91    338.899  4622.00    492.411  4899.24    467.139  90.942  5.0186  93.976  4.5894  -3.034294      6.800644  
1 1 1 -1  95  10 o 85.034  3.4455  3972.01    317.328  3996.40    486.437  3953.94    418.686  84.304  5.3551  84.258  4.6053  0.4595184E-01  7.063002  
1 1 1 -1  95  11 o 59.734  4.1375  1983.65    266.040  2278.81    411.877  1772.34    348.492  63.125  6.1002  55.724  5.8619  7.400803       8.460196  
1 1 1 -1  95  12 o 44.365  5.0924  1116.03    240.269  1354.59    379.677  956.679    310.307  47.731  7.5989  40.047  7.4275  7.683945       10.62592  
1 1 1 -1  95  13 o 12.884  6.0223  -179.3639  208.568  -384.2215  354.395  -70.8138   257.974  15.778  7.5163  16.133  7.2116  -0.3545313     10.41642  
1 1 1 -1  95  14 o 38.800  6.0806  878.706    247.140  908.884    426.227  863.421    303.337  37.346  10.234  37.691  7.6908  -0.3449936     12.80150  
1 1 1 -1  95  15 o 49.059  5.4179  1380.48    283.081  1624.16    448.252  1218.82    365.098  51.459  8.3270  44.767  7.8141  6.691895       11.41923  
1 1 1 -1  95  16 o 36.822  1.7021  737.888    67.883   849.080    403.406  734.647    68.865   35.982  9.9943  36.738  1.7307  -0.7564240     10.14304  
1 1 1 -1  96  1  o 48.158  3.6889  1279.17    190.954  1081.08    268.320  1482.45    271.812  43.644  5.8214  51.516  4.9317  -7.871967      7.629559  
1 1 1 -1  96  2  o 22.584  6.2567  295.385    158.315  310.521    245.250  284.571    207.288  23.781  8.0258  22.603  7.3711  1.178551       10.89706  
1 1 1 -1  96  3  o 15.170  5.8955  84.736     138.936  150.771    236.777  50.060     171.580  19.712  7.6863  15.449  6.3605  4.263618       9.976722  
1 1 1 -1  96  4  o 83.224  3.1294  3788.32    282.081  4115.37    421.923  3523.99    379.315  86.163  4.5371  79.768  4.4075  6.395370       6.325430  
1 1 1 -1  96  5  o 100.079 3.0871  5478.47    334.629  5609.75    479.632  5353.97    467.092  100.758 4.3950  98.440  4.3809  2.317566       6.205477  
1 1 1 -1  96  6  o 89.918  3.2110  4427.71    312.724  4311.12    458.000  4529.55    428.036  87.993  4.8240  90.521  4.3658  -2.528091      6.506241  
1 1 1 -1  96  7  o 33.384  6.0601  645.168    211.052  763.530    315.537  549.347    283.906  35.562  8.3370  30.195  8.3834  5.366854       11.82309  
1 1 1 -1  96  8  o 51.673  4.0783  1482.19    226.400  1231.29    325.289  1717.93    315.300  46.102  6.7115  55.194  5.3410  -9.092541      8.577304  
1 1 1 -1  96  9  o 81.717  3.4409  3667.57    304.543  3755.50    437.736  3585.09    423.972  81.942  4.9555  80.077  4.9120  1.864799       6.977430  
1 1 1 -1  96  10 f 47.449  4.8638  1267.54    246.427  1404.71    391.333  1177.40    317.222  48.689  7.6748  44.953  6.7217  3.736420       10.20216  
1 1 1 -1  96  11 o 15.131  6.6902  -44.7379   215.930  263.088    344.849  -243.2654  276.941  23.929  9.2912  14.705  6.8946  9.224383       11.56982  
1 1 1 -1  96  12 o 22.145  7.6953  269.919    225.872  -70.3158   356.308  498.505    292.052  19.032  8.4939  28.549  8.6768  -9.516850      12.14221  
1 1 1 -1  96  13 o 37.135  5.9818  803.312    232.424  853.641    382.921  773.953    292.461  36.592  9.5574  35.631  7.7950  0.9607620      12.33310  
1 1 1 -1  96  14 o 80.881  3.7187  3620.85    325.763  3788.70    533.980  3521.35    411.134  81.059  6.1274  79.051  4.8250  2.007957       7.799044  
1 1 1 -1  96  15 o 57.858  4.5837  1886.14    284.894  2149.86    472.666  1735.67    357.038  60.001  7.4323  54.661  6.1367  5.339542       9.638343  
1 1 1 -1  96  16 o 70.216  3.9431  2748.21    298.665  2695.22    482.782  2781.06    380.135  67.793  6.6610  70.008  5.0471  -2.215630      8.357176  
1 1 1 -1  97  1  o 53.880  3.9725  1605.97    230.190  1677.31    354.519  1553.98    302.670  54.303  6.1352  52.533  5.3962  1.770454       8.170620  
1 1 1 -1  97  2  o 19.947  6.4400  220.670    158.451  323.863    221.621  112.760    226.629  23.834  7.6081  18.578  7.4328  5.256392       10.63622  
1 1 1 -1  97  3  o 23.547  6.3225  323.715    164.646  521.858    276.621  215.008    204.892  29.521  8.3033  20.538  7.3131  8.983032       11.06463  
1 1 1 -1  97  4  o 60.928  3.6458  2046.05    239.490  1950.23    353.323  2127.50    325.737  58.781  5.6181  61.702  4.9149  -2.920826      7.464551  
1 1 1 -1  97  5  o 165.070 3.6192  14965.91   647.071  14789.76   928.585  15132.19   902.180  162.826 5.2653  164.892 5.0515  -2.065887      7.296693  
1 1 1 -1  97  6  o 71.935  3.6721  2851.51    285.147  2959.58    417.269  2756.82    390.572  72.601  5.3440  70.133  5.1783  2.467407       7.441342  
1 1 1 -1  97  7  o 73.239  3.4794  2945.22    276.007  2995.35    388.608  2894.19    392.081  73.205  4.9299  71.890  5.0679  1.315491       7.070167  
1 1 1 -1  97  8  o 88.605  3.2152  4304.12    308.558  4097.49    442.805  4499.16    430.203  85.695  4.7899  90.109  4.4079  -4.413368      6.509465  
1 1 1 -1  97  9  o 55.857  4.1670  1735.13    250.284  1688.93    365.639  1775.87    343.324  54.187  6.3504  55.863  5.7567  -1.676250      8.571351  
1 1 1 -1  97  10 o 80.529  3.4831  3567.73    303.798  3880.32    453.547  3313.35    409.145  83.125  5.0617  76.856  4.9413  6.269211       7.073668  
1 1 1 -1  97  11 o 62.550  4.0847  2176.50    275.208  1952.80    424.797  2338.30    361.279  57.827  6.9197  64.308  5.2322  -6.480778      8.675203  
1 1 1 -1  97  12 o 51.238  4.7042  1478.94    258.150  1311.23    398.716  1599.98    338.733  46.450  8.2262  52.671  6.0473  -6.220879      10.20980  
1 1 1 -1  97  13 f 20.369  7.5903  204.725    224.331  358.302    338.392  84.311     299.637  25.457  9.3526  19.667  8.2744  5.790333       12.48744  
1 1 1 -1  97  14 o 29.783  7.4536  542.206    239.867  562.893    423.662  532.447    291.001  30.045  10.534  29.226  8.6103  0.8189487      13.60488  
1 1 1 -1  97  15 o 18.156  7.5021  89.644     239.843  -30.1901   411.646  151.232    295.108  20.661  9.1810  20.647  8.4024  0.1384735E-01  12.44549  
1 1 1 -1  98  1  o 18.802  6.8262  171.608    179.502  -75.3387   295.695  315.715    225.884  17.458  7.7685  23.627  7.6941  -6.168541      10.93383  
1 1 1 -1  98  2  o 61.716  3.5260  2096.72    234.718  1788.33    332.205  2404.14    331.678  56.310  5.5178  65.702  4.6917  -9.391613      7.242828  
1 1 1 -1  98  3  o 56.933  3.8712  1791.77    237.297  1593.72    336.819  1986.95    334.371  52.934  5.9797  59.480  5.2439  -6.546616      7.953284  
1 1 1 -1  98  4  o 56.092  4.0484  1743.05    244.302  1716.86    352.118  1767.36    339.233  54.934  6.0163  55.886  5.6835  -0.9513969     8.276358  
1 1 1 -1  98  5  o 65.484  3.6062  2363.01    254.789  2497.34    377.136  2250.22    345.581  66.688  5.2641  63.362  5.0782  3.326061       7.314331  
1 1 1 -1  98  6  o 92.337  3.3575  4677.54    335.781  4301.35    467.388  5078.80    482.715  87.766  4.9369  95.648  4.6596  -7.882080      6.788521  
1 1 1 -1  98  7  o 22.164  7.5383  270.485    216.383  377.604    316.498  176.474    296.502  25.997  9.1049  21.483  8.5321  4.513552       12.47784  
1 1 1 -1  98  8  o 50.743  4.2976  1435.80    233.975  1497.58    353.620  1387.69    312.046  50.890  6.5689  49.230  5.9746  1.660118       8.879550  
1 1 1 -1  98  9  o 41.184  5.3199  966.206    231.753  951.343    341.120  978.947    315.835  39.605  8.2212  40.550  7.4663  -0.9446068     11.10556  
1 1 1 -1  98  10 o 81.812  3.4756  3684.68    307.974  3815.45    462.763  3580.72    412.619  82.268  5.2205  79.938  4.7877  2.329323       7.083496  
1 1 1 -1  98  11 o 70.082  3.8608  2724.64    291.928  2818.86    449.379  2655.85    383.987  70.151  5.9712  68.525  5.2128  1.626221       7.926413  
1 1 1 -1  98  12 o 22.917  7.7599  299.473    229.277  431.272    359.605  209.197    297.614  27.197  9.6880  21.894  8.5945  5.303080       12.95083  
1 1 1 -1  98  13 o 51.465  4.9748  1502.44    273.846  1380.86    429.485  1585.73    355.480  47.226  8.7177  52.122  6.4334  -4.896450      10.83447  
1 1 1 -1  98  14 o 47.916  5.1208  1308.47    261.644  1172.27    451.478  1377.35    321.055  42.562  9.9687  48.609  6.2423  -6.047100      11.76187  
1 1 1 -1  99  1  f 27.290  7.1186  441.236    212.608  325.418    320.690  532.062    283.990  25.018  9.1178  29.740  8.4300  -4.722256      12.41768  
1 1 1 -1  99  2  o 79.079  3.4268  3430.88    293.508  3463.52    456.988  3407.96    382.929  78.537  5.4052  78.315  4.5338  0.2221146      7.054916  
1 1 1 -1  99  3  o 68.921  3.6726  2618.56    273.166  2552.19    382.871  2687.37    389.853  67.410  5.2863  69.203  5.2401  -1.793198      7.443386  
1 1 1 -1  99  4  o 22.981  7.5305  298.238    216.253  362.601    318.034  242.888    294.927  25.742  9.1171  22.826  8.6606  2.915979       12.57491  
1 1 1 -1  99  5  o 36.222  6.1527  759.960    232.752  703.586    361.217  799.985    304.360  33.729  9.4888  36.495  7.9268  -2.766277      12.36412  
1 1 1 -1  99  6  o 28.744  6.7467  489.237    206.437  506.150    308.181  475.472    278.033  28.985  8.9326  28.147  8.4462  0.8379612      12.29353  
1 1 1 -1  99  7  o 43.577  4.8977  1071.09    227.157  1069.16    316.323  1073.15    326.412  42.648  7.0974  42.620  7.3356  0.2784729E-01  10.20709  
1 1 1 -1  99  8  f 118.246 3.2851  7679.15    420.727  7245.41    609.320  8074.37    581.640  113.860 4.9409  120.547 4.4548  -6.687370      6.652644  
1 1 1 -1  99  9  o 105.873 3.2622  6158.28    374.083  5874.57    573.826  6367.97    493.321  102.168 5.2028  107.128 4.2517  -4.959175      6.719021  
1 1 1 -1  99  10 o 24.912  7.5648  369.579    222.064  323.620    374.300  394.542    275.858  25.381  9.7263  25.847  8.5069  -0.4668159     12.92166  
1 1 1 -1  99  11 o 28.804  7.4918  504.226    235.935  269.185    346.047  708.391    322.518  23.898  9.2995  33.676  8.7594  -9.777674      12.77524  
1 1 1 -1  99  12 o 64.213  4.0402  2297.51    279.561  2340.51    424.485  2264.58    371.508  63.607  6.2419  63.007  5.4990  0.6006432      8.318707  
1 1 1 -1  99  13 o 44.876  2.2755  1102.25    110.240  1326.33    423.354  1085.95    114.179  46.237  8.7746  44.521  2.3764  1.715889       9.090680  
1 1 1 -1  100 1  o 101.018 3.3384  5597.68    365.263  5831.95    564.931  5429.40    478.808  102.245 5.1013  98.992  4.4657  3.252998       6.779837  
1 1 1 -1  100 2  o 18.141  7.4582  82.315     235.495  15.771     350.195  137.249    318.182  20.191  8.7305  21.292  8.7016  -1.101559      12.32635  
1 1 1 -1  100 3  o 26.546  7.0329  418.007    205.440  331.473    300.290  494.145    281.674  24.809  8.8514  28.673  8.4780  -3.863470      12.25655  
1 1 1 -1  100 4  o 52.783  4.5120  1555.82    255.470  1253.38    370.130  1831.00    353.053  46.015  7.6985  56.747  5.8269  -10.73158      9.655017  
1 1 1 -1  100 5  o 101.835 3.3578  5693.55    370.358  5581.56    528.685  5801.47    518.981  100.075 4.8775  102.136 4.6914  -2.060562      6.767542  
1 1 1 -1  100 6  o 59.202  4.0505  1946.11    258.169  2083.81    405.347  1852.13    334.877  60.250  6.3049  57.171  5.4750  3.079384       8.350315  
1 1 1 -1  100 7  f 66.142  3.7370  2419.55    266.617  2724.67    376.028  2111.07    378.086  69.632  5.0195  60.871  5.8050  8.760994       7.674240  
1 1 1 -1  100 8  o 24.218  7.0483  347.458    196.055  475.608    293.066  243.649    263.769  28.032  8.7228  22.127  8.2334  5.904705       11.99482  
1 1 1 -1  100 9  o 12.473  5.9186  -238.8867  215.456  -300.1716  345.090  -199.7361  275.819  16.264  7.6482  15.110  7.0167  1.154330       10.37927  
1 1 1 -1  100 10 o 76.054  3.6568  3193.96    301.228  3250.11    475.740  3156.38    389.180  75.389  5.8726  74.936  4.8206  0.4529800      7.597717  
1 1 1 -1  100 11 o 65.727  4.0246  2404.92    285.130  2368.66    414.504  2437.50    392.837  64.160  6.0357  65.354  5.6039  -1.193893      8.236160  
1 1 1 -1  100 12 o 67.244  3.9666  2515.95    287.619  2371.22    436.432  2627.07    382.410  63.942  6.3872  68.061  5.2274  -4.119743      8.253642  
1 1 1 -1  101 1  o 41.481  5.8495  986.547    255.515  892.888    429.284  1037.93    317.974  37.612  10.255  41.979  7.2559  -4.367317      12.56272  
1 1 1 -1  101 2  o 76.414  3.5519  3210.61    293.967  3641.03    478.328  2949.38    372.647  80.349  5.5301  72.662  4.7613  7.686554       7.297385  
1 1 1 -1  101 3  o 90.030  3.4360  4453.52    335.047  4261.61    461.888  4666.65    486.745  87.295  4.9050  91.341  4.9384  -4.046227      6.960370  
1 1 1 -1  101 4  o 52.011  4.3697  1509.90    243.880  1463.50    367.789  1546.32    325.810  50.089  6.9681  52.027  5.8854  -1.937683      9.120968  
1 1 1 -1  101 5  o 18.889  7.4523  134.814    224.815  349.608    319.576  -75.6264   316.321  25.340  9.1216  17.951  8.0077  7.389151       12.13784  
1 1 1 -1  101 6  f 33.208  6.5012  648.929    225.466  632.080    331.262  663.470    307.749  31.942  9.1223  32.847  8.5626  -0.9055367     12.51138  
1 1 1 -1  101 7  o 23.961  7.6612  334.740    224.654  435.386    335.623  253.041    302.386  27.286  9.3861  22.990  8.7583  4.296152       12.83772  
1 1 1 -1  101 8  o 25.885  7.0328  401.051    202.301  596.893    299.634  236.996    274.241  31.089  8.6057  22.128  8.3621  8.960371       11.99926  
1 1 1 -1  101 9  o 34.241  6.5968  694.024    235.782  481.220    366.259  844.631    308.120  28.353  9.8022  37.264  7.8803  -8.910967      12.57706  
1 1 1 -1  101 10 o 32.583  6.8439  633.894    233.842  784.362    402.834  557.422    287.182  34.925  10.086  30.036  8.4645  4.888876       13.16687  
1 1 1 -1  101 11 o 25.885  7.8978  403.809    241.624  456.295    371.963  365.494    317.808  27.818  9.8590  25.441  9.1028  2.376648       13.41872  
1 1 1 -1  102 1  o 66.123  4.0771  2425.91    290.567  1929.98    453.281  2771.85    378.580  57.335  7.4772  70.281  5.0061  -12.94556      8.998300  
1 1 1 -1  102 2  o 46.009  5.1052  1197.17    250.115  1360.53    416.234  1104.85    312.908  47.512  8.3955  43.447  6.8785  4.064968       10.85350  
1 1 1 -1  102 3  o 78.822  3.4717  3416.69    296.388  3557.07    418.129  3274.92    420.192  79.708  4.8666  76.341  5.1114  3.366516       7.057602  
1 1 1 -1  102 4  o 98.014  3.2681  5274.89    346.939  5213.58    497.997  5332.71    483.610  96.705  4.7545  97.915  4.5601  -1.210861      6.587886  
1 1 1 -1  102 5  o 65.742  4.0114  2399.04    284.265  2422.21    426.897  2380.58    381.026  65.024  6.1340  64.815  5.4790  0.2093201      8.224622  
1 1 1 -1  102 6  o 53.531  4.2198  1598.45    242.678  1315.28    366.689  1819.14    323.711  47.101  7.4345  56.649  5.3388  -9.548466      9.152842  
1 1 1 -1  102 7  o 50.042  4.3767  1402.25    234.832  1060.66    347.172  1690.35    318.839  41.904  7.9398  54.496  5.4759  -12.59133      9.645019  
1 1 1 -1  102 8  o 40.917  5.2954  956.660    229.173  956.172    354.021  957.011    300.672  39.391  8.5437  40.092  7.1883  -0.7009048     11.16541  
1 1 1 -1  102 9  o 26.060  7.4760  408.812    222.002  237.687    361.502  512.424    281.293  23.635  9.4101  28.892  8.4523  -5.257332      12.64876  
1 1 1 -1  102 10 o 98.512  3.4852  5349.48    371.860  5013.96    573.047  5593.54    488.737  93.884  5.6619  100.145 4.5059  -6.260391      7.236027  
1 1 1 -1  103 1  o 19.857  7.6453  170.655    231.972  258.009    385.734  121.164    290.341  24.543  9.7366  20.242  8.2969  4.300844       12.79212  
1 1 1 -1  103 2  o 58.585  4.2782  1912.75    269.591  2088.67    441.030  1807.80    340.643  59.924  6.9225  56.358  5.6569  3.566597       8.939823  
1 1 1 -1  103 3  o 45.441  4.7342  1162.65    229.582  1233.94    335.179  1099.63    315.107  45.865  6.9664  43.253  6.9625  2.611324       9.849171  
1 1 1 -1  103 4  f 51.721  4.4446  1497.19    246.562  1738.84    348.211  1254.21    349.173  55.104  5.9275  46.092  7.2324  9.012264       9.351122  
1 1 1 -1  103 5  o 75.490  3.5926  3141.02    293.743  3090.84    419.921  3189.10    411.052  73.977  5.2754  75.264  5.0720  -1.287666      7.318117  
1 1 1 -1  103 6  o 51.704  4.7170  1503.93    261.248  1532.77    399.396  1482.36    345.383  50.837  7.4770  50.528  6.4588  0.3084450      9.880360  
1 1 1 -1  103 7  o 44.083  4.8732  1099.21    228.782  950.250    339.698  1222.87    309.501  39.473  8.2130  45.852  6.4071  -6.379826      10.41650  
1 1 1 -1  103 8  o 31.249  7.0271  585.392    232.070  658.953    345.917  525.185    312.948  32.398  9.3431  29.219  9.0009  3.179285       12.97342  
1 1 1 -1  103 9  o 43.530  5.3498  1082.19    246.920  1061.58    412.287  1093.71    308.333  41.034  9.4690  43.093  6.8342  -2.058849      11.67769  
1 1 1 -1  104 1  o 42.556  5.8638  1042.59    263.102  1213.18    439.146  947.068    328.607  44.073  9.4809  39.596  7.9386  4.476826       12.36564  
1 1 1 -1  104 2  o 24.301  7.7642  345.422    230.769  9.0216     392.194  523.568    285.405  20.956  9.1486  29.261  8.5006  -8.304382      12.48824  
1 1 1 -1  104 3  o 60.430  3.8567  2025.50    251.112  2004.90    370.122  2043.08    341.815  59.231  5.8456  60.068  5.3085  -0.8378677     7.896276  
1 1 1 -1  104 4  o 55.350  4.2612  1709.68    253.496  1950.59    358.337  1468.33    358.658  58.471  5.7320  50.150  6.7765  8.320324       8.875583  
1 1 1 -1  104 5  o 42.348  5.5107  1026.22    246.772  1180.39    366.820  898.775    333.529  44.296  7.9372  38.370  8.2692  5.926205       11.46210  
1 1 1 -1  104 6  o 21.975  7.7288  261.659    228.170  258.035    329.546  264.996    316.229  23.518  9.0963  23.434  8.9496  0.8405495E-01  12.76083  
1 1 1 -1  104 7  o 53.542  4.3924  1604.27    252.480  1695.80    391.022  1538.83    330.645  53.864  6.8580  51.714  6.0155  2.149422       9.122456  
1 1 1 -1  105 1  o 73.524  3.8734  2994.30    307.365  3019.89    480.112  2976.52    400.104  72.623  6.1620  72.709  5.1131  -0.8621216E-01 8.007124  
1 1 1 -1  105 2  f 75.591  3.6319  3149.44    297.353  3681.57    486.591  2832.29    375.655  80.588  5.6097  71.018  4.9139  9.570206       7.457548  
1 1 1 -1  105 3  o 70.097  3.9244  2724.39    296.753  2903.16    457.959  2595.00    389.620  71.292  5.9862  67.733  5.3546  3.559875       8.031607  
1 1 1 -1  105 4  o 36.669  5.9308  779.453    227.505  521.813    325.172  1026.50    318.417  29.216  9.2040  41.544  7.3453  -12.32723      11.77568  
1 1 1 -1  105 5  o 52.347  4.7399  1540.94    265.823  1294.74    375.451  1788.40    376.413  46.560  7.7152  55.642  6.3601  -9.082165      9.998781  
1 1 1 -1  106 1  o 48.783  4.9709  1343.63    258.975  1893.89    472.498  1107.34    309.626  56.385  7.9582  43.472  6.7987  12.91301       10.46687  
1 1 1 0   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   0   4  o 193.962 5.2907  20424.28   1109.61  20424.28   1109.61  20424.28   1109.61  193.962 5.2907  193.962 5.2907  0.000000       0.000000  
1 1 1 0   0   5  o 157.020 4.5944  13388.93   779.852  13388.93   779.852  13388.93   779.852  157.020 4.5944  157.020 4.5944  0.000000       0.000000  
1 1 1 0   0   6  o 316.040 7.8051  54227.31   2668.03  54227.31   2668.03  54227.31   2668.03  316.040 7.8051  316.040 7.8051  0.000000       0.000000  
1 1 1 0   0   7  o 449.735 10.692  109917.50  5201.76  109917.50  5201.76  109917.50  5201.76  449.735 10.692  449.735 10.692  0.000000       0.000000  
1 1 1 0   0   8  o 21.211  4.8587  278.807    97.224   278.807    97.224   278.807    97.224   21.211  4.8587  21.211  4.8587  0.000000       0.000000  
1 1 1 0   0   9  o 393.436 9.4663  84081.21   4028.63  84081.21   4028.63  84081.21   4028.63  393.436 9.4663  393.436 9.4663  0.000000       0.000000  
1 1 1 0   0   10 o 164.620 6.0212  14739.90   1070.33  14739.90   1070.33  14739.90   1070.33  164.620 6.0212  164.620 6.0212  0.000000       0.000000  
1 1 1 0   0   11 o 481.302 11.422  125792.40  5946.58  125792.40  5946.58  125792.40  5946.58  481.302 11.422  481.302 11.422  0.000000       0.000000  
1 1 1 0   0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   0   13 o 87.565  3.8178  4176.58    360.517  4176.58    360.517  4176.58    360.517  87.565  3.8178  87.565  3.8178  0.000000       0.000000  
1 1 1 0   0   14 o 145.925 6.5437  11606.41   1029.52  11606.41   1029.52  11606.41   1029.52  145.925 6.5437  145.925 6.5437  0.000000       0.000000  
1 1 1 0   0   15 o 361.779 8.8236  71079.60   3452.81  71079.60   3452.81  71079.60   3452.81  361.779 8.8236  361.779 8.8236  0.000000       0.000000  
1 1 1 0   0   16 o 173.260 6.3526  16333.65   1188.48  16333.65   1188.48  16333.65   1188.48  173.260 6.3526  173.260 6.3526  0.000000       0.000000  
1 1 1 0   0   17 o 516.832 12.256  145390.00  6852.23  145390.00  6852.23  145390.00  6852.23  516.832 12.256  516.832 12.256  0.000000       0.000000  
1 1 1 0   0   18 f 80.891  4.0853  3572.28    355.847  3572.28    355.847  3572.28    355.847  80.891  4.0853  80.891  4.0853  0.000000       0.000000  
1 1 1 0   0   19 o 178.793 5.0692  17368.59   979.872  17368.59   979.872  17368.59   979.872  178.793 5.0692  178.793 5.0692  0.000000       0.000000  
1 1 1 0   0   20 o 562.574 13.283  172885.50  8083.36  172885.50  8083.36  172885.50  8083.36  562.574 13.283  562.574 13.283  0.000000       0.000000  
1 1 1 0   0   21 o 109.821 4.2214  6565.56    500.435  6565.56    500.435  6565.56    500.435  109.821 4.2214  109.821 4.2214  0.000000       0.000000  
1 1 1 0   0   22 o 106.642 4.0276  6190.32    463.702  6190.32    463.702  6190.32    463.702  106.642 4.0276  106.642 4.0276  0.000000       0.000000  
1 1 1 0   0   23 o 172.435 5.0396  16169.16   939.409  16169.16   939.409  16169.16   939.409  172.435 5.0396  172.435 5.0396  0.000000       0.000000  
1 1 1 0   0   24 o 283.249 7.1416  43705.76   2187.81  43705.76   2187.81  43705.76   2187.81  283.249 7.1416  283.249 7.1416  0.000000       0.000000  
1 1 1 0   0   25 o 18.469  9.3495  273.599    232.759  273.599    232.759  273.599    232.759  18.469  9.3495  18.469  9.3495  0.000000       0.000000  
1 1 1 0   0   26 o 374.161 9.2124  76955.00   3728.25  76955.00   3728.25  76955.00   3728.25  374.161 9.2124  374.161 9.2124  0.000000       0.000000  
1 1 1 0   0   27 o 90.654  3.3282  4479.56    325.789  4479.56    325.789  4479.56    325.789  90.654  3.3282  90.654  3.3282  0.000000       0.000000  
1 1 1 0   0   28 o 23.178  10.539  433.429    286.451  433.429    286.451  433.429    286.451  23.178  10.539  23.178  10.539  0.000000       0.000000  
1 1 1 0   0   29 o 47.004  6.7403  1286.05    322.679  1286.05    322.679  1286.05    322.679  47.004  6.7403  47.004  6.7403  0.000000       0.000000  
1 1 1 0   0   30 o 13.422  8.5831  30.322     279.440  30.322     279.440  30.322     279.440  13.422  8.5831  13.422  8.5831  0.000000       0.000000  
1 1 1 0   0   31 o 128.580 4.6915  9103.94    651.388  9103.94    651.388  9103.94    651.388  128.580 4.6915  128.580 4.6915  0.000000       0.000000  
1 1 1 0   0   32 o 2.0547  1.4952  -42.3895   19.079   -42.3895   19.079   -42.3895   19.079   2.0547  1.4952  2.0547  1.4952  0.000000       0.000000  
1 1 1 0   0   33 o 15.451  9.4002  150.412    294.614  150.412    294.614  150.412    294.614  15.451  9.4002  15.451  9.4002  0.000000       0.000000  
1 1 1 0   0   34 o 16.935  9.9113  239.317    304.137  239.317    304.137  239.317    304.137  16.935  9.9113  16.935  9.9113  0.000000       0.000000  
1 1 1 0   0   35 o 61.204  5.9250  2201.44    384.317  2201.44    384.317  2201.44    384.317  61.204  5.9250  61.204  5.9250  0.000000       0.000000  
1 1 1 0   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   3  f 131.868 3.3731  9419.00    481.775  8656.94    834.226  9800.35    590.133  126.393 6.0938  134.505 4.0508  -8.112373      7.317372  
1 1 1 0   1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   7  f 141.057 3.1499  10778.75   481.243  10410.09   708.060  11095.26   656.071  138.597 4.7168  143.095 4.2331  -4.498154      6.337734  
1 1 1 0   1   8  o 265.542 5.0493  38220.91   1452.21  40149.17   1917.38  35626.46   2224.06  272.076 6.5065  256.193 8.0151  15.88226       10.32358  
1 1 1 0   1   9  o 307.085 5.3717  51111.20   1786.65  50291.21   2526.59  51931.34   2526.81  304.481 7.6613  309.414 7.5398  -4.933350      10.74920  
1 1 1 0   1   10 o 566.802 11.404  174422.80  7001.03  176749.91  9900.86  172095.50  9901.05  569.866 16.041  562.275 16.258  7.591553       22.83920  
1 1 1 0   1   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   12 o 917.970 30.446  463265.00  30270.90 0.0000     0.0000   463265.00  30270.90 ?       ?       917.970 30.446  0.000000       30.44575  
1 1 1 0   1   13 o 369.095 6.6796  73835.69   2670.31  74530.93   4124.08  73333.80   3504.01  370.626 10.274  367.730 8.7976  2.895569       13.52569  
1 1 1 0   1   14 o 471.249 24.673  122107.70  12549.63 122107.70  12549.63 0.0000     0.0000   471.249 24.673  ?       ?       0.000000       24.67305  
1 1 1 0   1   15 o 689.598 13.157  258711.30  9827.16  250392.41  17021.01 262870.81  12035.82 675.153 23.276  694.362 16.004  -19.20837      28.24713  
1 1 1 0   1   16 o 219.857 5.0704  26200.24   1207.40  26454.96   1879.85  26021.37   1575.28  220.785 7.8611  219.035 6.6401  1.749832       10.29019  
1 1 1 0   1   17 o 241.212 4.6971  31540.77   1227.14  29844.55   1867.22  32830.41   1628.13  234.467 7.3526  246.010 6.1104  -11.54213      9.560216  
1 1 1 0   1   18 o 328.615 6.1160  58606.33   2176.84  56092.48   3351.26  60441.17   2863.10  320.982 9.6396  333.478 7.9268  -12.49588      12.48022  
1 1 1 0   1   19 o 300.649 6.3324  49084.03   2062.04  48051.21   2915.88  50117.24   2916.45  297.046 9.0631  303.399 8.8750  -6.353302      12.68484  
1 1 1 0   1   20 o 220.733 4.1332  26421.99   988.141  27350.50   1397.61  25493.94   1397.27  224.435 5.7495  216.663 5.9542  7.771881       8.277029  
1 1 1 0   1   21 o 275.367 4.9228  41154.48   1468.22  42098.37   2076.53  40210.86   2076.23  278.215 6.8911  271.879 7.0506  6.335815       9.858922  
1 1 1 0   1   22 o 169.245 3.5004  15531.82   641.652  16093.25   907.554  14970.69   907.313  172.174 4.8667  166.046 5.0450  6.128632       7.009732  
1 1 1 0   1   23 o 280.108 5.3788  42643.96   1631.86  43504.61   2154.57  41486.01   2499.17  282.558 7.0402  275.573 8.3731  6.984314       10.93955  
1 1 1 0   1   24 o 101.338 3.0344  5569.48    333.050  5345.24    472.678  5790.58    469.348  99.198  4.3994  103.262 4.1965  -4.063858      6.079906  
1 1 1 0   1   25 o 140.525 3.2321  10718.33   491.939  10592.69   697.796  10842.48   693.636  139.535 4.6172  141.182 4.5361  -1.646912      6.472584  
1 1 1 0   1   26 o 53.188  2.2548  1534.48    129.893  1472.62    145.833  1771.98    285.738  52.092  2.5847  56.818  4.6849  -4.725811      5.350625  
1 1 1 0   1   27 o 118.794 3.0542  7674.42    392.966  7532.25    555.421  7816.91    556.056  117.433 4.3668  119.648 4.2908  -2.215958      6.122107  
1 1 1 0   1   28 o 59.424  2.6346  1920.06    169.568  2225.62    347.940  1824.88    194.189  63.431  5.1078  57.804  3.1132  5.626991       5.981731  
1 1 1 0   1   29 o 80.904  3.3342  3574.12    292.173  3904.75    414.058  3246.23    412.337  84.146  4.5602  76.559  5.0001  7.587219       6.767289  
1 1 1 0   1   30 o 69.370  3.5607  2642.89    266.629  2725.64    377.748  2560.75    376.395  69.976  5.0173  67.760  5.1676  2.216110       7.202591  
1 1 1 0   1   31 o 46.584  2.1259  1181.45    107.264  1099.99    322.954  1191.55    113.720  43.327  7.1300  46.769  2.2450  -3.441841      7.475108  
1 1 1 0   1   32 o 81.468  2.2863  3621.52    201.738  4189.66    312.466  3215.41    264.177  87.268  3.3058  76.493  3.1886  10.77538       4.592992  
1 1 1 0   1   33 o 9.1612  3.1637  42.104     38.148   41.029     38.468   105.997    296.468  9.1066  3.1751  19.764  8.2677  -10.65704      8.856464  
1 1 1 0   1   34 o 13.640  6.2473  -95.5686   208.152  -4.1775    293.689  -187.8148  295.060  17.465  7.7581  15.299  7.1552  2.165566       10.55392  
1 1 1 0   1   35 o 22.269  7.7133  321.492    226.840  539.237    407.394  223.649    273.090  26.932  10.188  20.394  8.1592  6.538334       13.05281  
1 1 1 0   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   6  o 491.480 16.514  131634.09  8791.05  131634.09  8791.05  0.0000     0.0000   491.480 16.514  ?       ?       0.000000       16.51448  
1 1 1 0   2   7  o 287.757 5.0648  44879.34   1578.54  42660.13   2232.19  47099.37   2232.60  280.425 7.3493  294.678 6.9951  -14.25342      10.14607  
1 1 1 0   2   8  o 248.768 4.7586  33541.38   1282.15  34250.26   1696.08  32596.07   1958.60  251.311 6.2311  245.099 7.3779  6.212006       9.657146  
1 1 1 0   2   9  o 450.651 8.9404  110232.30  4363.84  106891.80  6171.17  113573.40  6171.63  443.233 12.855  456.939 12.470  -13.70605      17.90948  
1 1 1 0   2   10 o 138.807 3.2316  10436.43   485.850  10430.88   687.005  10441.99   687.186  138.756 4.5713  138.830 4.5700  -0.7389832E-01 6.463888  
1 1 1 0   2   11 f 372.665 6.8682  75266.45   2772.27  73380.74   4282.94  76626.23   3636.95  367.769 10.752  375.920 8.9325  -8.151001      13.97851  
1 1 1 0   2   12 o 596.560 9.8344  193034.80  6354.35  202969.00  8986.70  183102.00  8986.10  611.281 13.573  580.499 14.292  30.78186       19.71053  
1 1 1 0   2   13 o 530.561 8.7248  152653.59  5013.76  154942.09  7090.96  150365.70  7090.10  534.167 12.256  526.198 12.440  7.969360       17.46363  
1 1 1 0   2   14 o 973.623 32.476  524641.62  34246.67 524641.62  34246.67 0.0000     0.0000   973.623 32.476  ?       ?       0.000000       32.47561  
1 1 1 0   2   15 o 202.337 3.9165  22180.41   858.318  22390.69   1212.64  21969.29   1215.06  203.254 5.5083  201.330 5.5721  1.923584       7.835175  
1 1 1 0   2   16 o 227.647 4.5389  28085.03   1119.14  27479.38   1485.18  28880.75   1702.36  225.115 6.0912  230.747 6.8116  -5.631622      9.137846  
1 1 1 0   2   17 o 547.262 10.521  163006.20  6236.33  171420.50  10802.39 158799.91  7637.64  558.594 17.855  539.424 13.073  19.17096       22.12876  
1 1 1 0   2   18 o 175.928 4.3109  16779.15   821.424  16685.49   1334.91  16836.23   1042.07  175.281 7.0315  176.170 5.4613  -0.8887787     8.903223  
1 1 1 0   2   19 o 224.098 4.8630  27240.42   1180.35  27619.50   2046.01  27051.33   1445.06  225.295 8.3847  223.227 5.9768  2.067780       10.29685  
1 1 1 0   2   20 o 136.604 3.1985  10113.92   473.231  9983.53    688.153  10230.91   651.823  135.657 4.6835  137.342 4.3818  -1.685410      6.413728  
1 1 1 0   2   21 o 141.725 3.4077  10889.05   523.097  10937.20   743.540  10841.87   736.060  141.962 4.8357  141.344 4.8080  0.6183319      6.819174  
1 1 1 0   2   22 o 161.397 3.5067  14124.92   613.009  13932.95   907.437  14286.06   831.396  160.172 5.2307  162.230 4.7316  -2.058716      7.053238  
1 1 1 0   2   23 o 217.019 4.1189  25559.66   968.170  26405.29   1370.76  24717.88   1367.65  220.360 5.7433  213.174 5.9234  7.185059       8.250534  
1 1 1 0   2   24 o 284.184 5.4562  43941.57   1679.42  45056.13   2217.24  42441.59   2572.19  287.291 7.1256  278.351 8.5318  8.939850       11.11601  
1 1 1 0   2   25 o 126.387 3.1660  8669.36    433.397  9153.53    611.622  8181.08    614.218  129.743 4.3524  122.625 4.6246  7.117630       6.350610  
1 1 1 0   2   26 o 146.808 3.3409  11712.67   531.237  11462.81   776.298  11932.72   728.540  144.934 4.9453  147.962 4.5460  -3.028000      6.717303  
1 1 1 0   2   27 o 54.669  3.3694  1632.91    198.538  1555.10    282.791  1708.54    278.800  53.066  4.9783  55.707  4.6637  -2.640636      6.821580  
1 1 1 0   2   28 o 83.875  3.2608  3833.46    296.225  3742.86    420.280  3922.90    417.583  82.469  4.7249  84.475  4.5811  -2.005989      6.581093  
1 1 1 0   2   29 o 105.529 3.2064  6077.17    366.489  6267.80    518.159  5886.34    518.429  106.785 4.4801  103.433 4.6276  3.351631       6.440972  
1 1 1 0   2   30 o 32.442  6.2445  608.243    211.459  477.835    298.227  740.096    299.875  28.554  8.7851  35.306  8.0240  -6.751778      11.89805  
1 1 1 0   2   31 o 124.134 3.2359  8447.55    435.072  8634.11    623.269  8270.25    607.601  124.717 4.6140  122.073 4.5954  2.644310       6.512081  
1 1 1 0   2   32 o 30.343  2.3629  505.590    77.043   1043.07    311.414  470.548    79.515   41.918  7.1133  29.234  2.5364  12.68454       7.551985  
1 1 1 0   2   33 o 34.400  1.9666  647.440    72.970   650.509    75.037   594.035    313.012  34.472  2.0185  30.476  8.9162  3.996391       9.141856  
1 1 1 0   2   34 o 35.622  1.1756  689.801    45.358   700.951    45.859   187.379    307.835  35.909  1.1791  20.726  8.5248  15.18247       8.605925  
1 1 1 0   2   35 o 48.741  2.1720  1307.28    114.666  1496.84    445.840  1293.86    118.657  45.920  9.2833  48.458  2.2608  -2.538006      9.554624  
1 1 1 0   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   3  o 366.309 12.553  72865.26   4980.60  0.0000     0.0000   72865.26   4980.60  ?       ?       366.309 12.553  0.000000       12.55348  
1 1 1 0   3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   7  o 467.026 9.0501  118434.00  4577.89  119358.40  5606.80  116585.50  7928.97  468.539 11.048  462.101 15.842  6.438171       19.31412  
1 1 1 0   3   8  o 525.910 17.689  151447.41  10076.02 0.0000     0.0000   151447.41  10076.02 ?       ?       525.910 17.689  0.000000       17.68919  
1 1 1 0   3   9  o 257.679 4.6328  35979.75   1292.99  34136.93   1828.49  37822.87   1828.64  250.909 6.7283  264.124 6.3922  -13.21509      9.280628  
1 1 1 0   3   10 o 621.639 17.168  210457.50  11558.92 202510.41  21378.26 213740.59  13740.60 604.480 32.775  625.775 20.273  -21.29547      38.53844  
1 1 1 0   3   11 o 241.069 5.5410  31487.22   1446.77  32308.88   1866.35  30250.00   2290.17  244.158 7.0575  236.194 8.9522  7.963989       11.39958  
1 1 1 0   3   12 f 595.207 9.8551  192162.09  6353.32  192941.80  8985.02  191382.41  8984.87  595.942 13.920  593.522 13.977  2.420837       19.72612  
1 1 1 0   3   13 o 650.057 12.375  229479.50  8713.02  231825.30  15092.37 228306.80  10670.89 651.588 21.385  647.938 15.205  3.648987       26.23990  
1 1 1 0   3   14 o 161.772 6.7820  14186.12   1188.32  14186.12   1188.32  0.0000     0.0000   161.772 6.7820  ?       ?       0.000000       6.782033  
1 1 1 0   3   15 o 569.362 9.4224  175972.30  5810.58  172829.70  8217.12  179115.41  8217.70  563.562 13.462  573.767 13.223  -10.20520      18.87016  
1 1 1 0   3   16 f 151.650 3.2568  12458.99   534.933  12560.67   754.492  12356.21   758.544  152.240 4.5757  150.994 4.6382  1.245667       6.515362  
1 1 1 0   3   17 o 451.310 8.2317  110643.80  4023.79  113276.80  5268.28  106957.20  6233.80  456.173 10.663  442.712 13.001  13.46152       16.81395  
1 1 1 0   3   18 o 105.450 2.9150  6024.85    332.934  5731.54    467.434  6326.86    474.321  102.824 4.1971  108.036 4.0535  -5.211777      5.834988  
1 1 1 0   3   19 o 488.096 8.1805  129607.30  4324.69  131764.30  6115.89  127450.10  6116.17  491.053 11.499  482.873 11.694  8.179810       16.40079  
1 1 1 0   3   20 o 162.088 3.5185  14242.02   617.699  13707.28   910.132  14698.69   841.067  158.917 5.2877  164.601 4.7177  -5.684219      7.086320  
1 1 1 0   3   21 o 146.928 3.3460  11702.78   532.473  11480.65   778.484  11898.05   729.922  145.439 4.9419  148.085 4.5509  -2.645157      6.718133  
1 1 1 0   3   22 o 142.952 3.4418  11080.41   532.894  11466.28   755.945  10699.24   751.328  145.335 4.8023  140.380 4.9414  4.955154       6.890567  
1 1 1 0   3   23 o 230.194 4.5454  28770.69   1133.28  28885.27   1721.36  28683.03   1505.61  230.265 6.9020  229.614 6.0540  0.6504974      9.180893  
1 1 1 0   3   24 o 110.353 2.9627  6604.11    354.111  6858.90    492.987  6332.52    508.971  112.394 4.0497  107.974 4.3522  4.420540       5.944850  
1 1 1 0   3   25 o 171.673 3.5540  16004.34   660.836  16410.00   932.241  15594.60   936.903  173.610 4.9577  169.213 5.1120  4.396744       7.121200  
1 1 1 0   3   26 o 188.791 3.7650  19387.98   769.865  20239.53   1090.16  18540.80   1087.36  192.496 5.2287  184.173 5.4510  8.323334       7.553349  
1 1 1 0   3   27 o 32.309  4.7600  582.938    161.579  638.871    234.453  532.339    222.993  33.442  6.7063  30.440  6.9202  3.001143       9.636574  
1 1 1 0   3   28 o 21.223  2.5111  248.210    56.604   463.851    287.181  239.494    57.737   28.474  8.5930  20.826  2.6175  7.648514       8.982801  
1 1 1 0   3   29 o 54.626  2.4427  1623.19    144.520  1703.42    333.875  1604.70    160.318  55.155  5.6696  54.215  2.7391  0.9407997      6.296573  
1 1 1 0   3   30 o 75.886  3.4097  3151.84    280.254  3164.44    395.398  3139.11    397.287  75.483  4.8622  75.161  4.9072  0.3212204      6.908063  
1 1 1 0   3   31 o 32.724  1.7785  583.798    62.801   640.914    300.385  581.187    64.220   32.466  8.4578  32.645  1.8235  -0.1797981     8.652164  
1 1 1 0   3   32 o 42.628  4.5773  1024.45    208.029  948.727    319.004  1080.47    274.402  39.645  7.7068  43.194  6.0298  -3.549309      9.785299  
1 1 1 0   3   33 o 27.630  7.1483  468.244    215.547  150.507    303.062  793.502    306.629  20.672  8.4753  35.602  8.1304  -14.92952      11.74454  
1 1 1 0   3   34 o 35.421  1.3246  682.717    50.819   866.019    71.678   497.446    72.061   39.839  1.6611  30.024  2.2319  9.815002       2.782252  
1 1 1 0   3   35 o 15.436  6.9206  -23.8736   239.461  143.475    384.811  -129.6294  305.906  20.704  9.0495  15.902  7.3863  4.801687       11.68119  
1 1 1 0   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   3  o 269.597 6.7933  39392.86   1983.65  38920.34   2805.15  39865.49   2805.47  267.865 9.6687  271.103 9.5543  -3.238098      13.59299  
1 1 1 0   4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   5  f 308.753 6.2165  51663.20   2078.86  49656.75   2546.01  55676.68   3600.88  302.635 7.7673  320.311 10.379  -17.67545      12.96381  
1 1 1 0   4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   7  o 168.996 3.5914  15473.14   657.377  15142.52   883.827  15882.51   983.479  167.150 4.8819  171.173 5.3047  -4.023239      7.209204  
1 1 1 0   4   8  o 159.441 3.2851  13772.22   567.310  14196.56   802.632  13348.59   801.963  161.849 4.5786  156.938 4.7180  4.911667       6.574440  
1 1 1 0   4   9  o 545.443 9.9246  161552.30  5863.19  164237.50  9103.81  159649.20  7664.36  548.937 15.312  541.686 13.063  7.250366       20.12735  
1 1 1 0   4   10 o 167.484 3.5317  15194.65   640.661  15788.92   957.278  14712.53   862.223  170.705 5.1775  164.789 4.8308  5.916061       7.081216  
1 1 1 0   4   11 o 327.275 6.1601  58039.84   2183.58  62541.71   3365.58  54767.25   2869.51  339.609 9.1498  317.836 8.3356  21.77274       12.37741  
1 1 1 0   4   12 o 730.698 13.890  290062.59  10993.08 289296.91  13463.69 291593.81  19040.64 729.150 17.048  730.316 24.071  -1.166016      29.49692  
1 1 1 0   4   13 o 343.490 6.3022  63941.13   2344.64  65185.14   3081.16  62229.81   3613.83  346.728 8.2046  338.686 9.8515  8.042267       12.82053  
1 1 1 0   4   14 o 333.092 8.1231  60168.56   2930.59  60168.56   2930.59  0.0000     0.0000   333.092 8.1231  ?       ?       0.000000       8.123079  
1 1 1 0   4   15 o 521.070 10.048  147438.41  5670.81  150661.91  9822.83  145827.00  6945.05  525.349 17.263  517.852 12.382  7.497803       21.24461  
1 1 1 0   4   16 o 103.439 2.8979  5796.11    324.666  5840.69    456.932  5750.65    461.393  103.821 4.0635  103.017 4.1352  0.8044586      5.797520  
1 1 1 0   4   17 o 589.602 9.7625  189081.70  6234.33  193509.30  8816.61  184654.00  8816.74  595.222 13.676  581.324 14.003  13.89813       19.57319  
1 1 1 0   4   18 o 369.567 6.8601  74165.56   2745.94  74888.17   4239.37  73643.27   3604.19  370.677 10.559  367.896 9.0451  2.781067       13.90368  
1 1 1 0   4   19 o 74.058  2.9427  2971.92    236.040  2899.45    330.672  3047.22    337.040  73.006  4.1996  74.851  4.1739  -1.845177      5.920971  
1 1 1 0   4   20 o 210.178 4.0257  23954.01   916.418  23869.17   1295.54  24038.97   1296.49  209.667 5.7049  210.413 5.6888  -0.7459869     8.056605  
1 1 1 0   4   21 o 207.940 3.9953  23450.27   899.825  21942.96   1271.54  24962.37   1273.56  200.981 5.8412  214.402 5.4843  -13.42154      8.012301  
1 1 1 0   4   22 o 158.359 3.3876  13596.96   581.030  14105.19   823.310  13092.69   820.100  161.201 4.7155  155.295 4.8757  5.905823       6.782960  
1 1 1 0   4   23 o 274.808 5.3153  41042.70   1582.09  40190.12   2423.47  41675.90   2088.53  271.265 8.2485  276.568 6.9722  -5.302948      10.80040  
1 1 1 0   4   24 o 161.080 3.5371  14079.48   617.100  14494.17   912.764  13730.35   837.506  163.252 5.1621  158.930 4.8653  4.322357       7.093593  
1 1 1 0   4   25 o 84.865  2.6553  3906.33    244.072  3888.13    375.771  3919.62    321.002  84.577  4.1021  84.962  3.4883  -0.3850479     5.384706  
1 1 1 0   4   26 o 127.886 3.1108  8884.11    430.889  9291.98    611.664  8482.31    607.099  130.603 4.3240  124.754 4.4930  5.849098       6.235710  
1 1 1 0   4   27 f 22.652  1.4278  279.245    34.852   278.134    35.347   318.107    209.081  22.605  1.4513  23.916  7.3554  -1.310982      7.497244  
1 1 1 0   4   28 o 95.557  2.7839  4967.43    288.125  5031.12    412.916  4906.99    402.234  95.943  3.9735  94.764  3.9189  1.179077       5.580926  
1 1 1 0   4   29 o 90.023  3.2292  4423.15    314.856  4572.54    447.277  4276.40    443.297  91.188  4.5286  88.028  4.6661  3.160271       6.502409  
1 1 1 0   4   30 o 33.543  6.0021  646.574    210.053  606.869    295.861  686.929    298.273  31.874  8.4376  33.946  8.2037  -2.072149      11.76835  
1 1 1 0   4   31 o 72.603  3.4863  2895.52    274.153  2938.07    386.242  2852.30    389.196  72.463  4.9508  71.338  5.0701  1.125679       7.086383  
1 1 1 0   4   32 o 24.722  2.2466  336.091    59.500   876.050    300.626  314.077    60.701   38.136  7.5453  23.869  2.3797  14.26744       7.911674  
1 1 1 0   4   33 o 39.441  5.4437  901.853    226.350  547.116    317.499  1268.49    322.780  29.289  9.0734  46.210  6.6399  -16.92039      11.24344  
1 1 1 0   4   34 o 46.229  4.8757  1243.73    240.446  1081.66    337.740  1410.30    342.393  40.894  7.9114  47.780  6.8088  -6.886162      10.43792  
1 1 1 0   4   35 o 26.500  8.0720  481.912    252.552  487.379    407.376  478.500    321.869  26.012  10.099  25.940  9.1736  0.7258415E-01  13.64336  
1 1 1 0   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   2  o 313.945 10.949  53486.70   3722.87  0.0000     0.0000   53486.70   3722.87  ?       ?       313.945 10.949  0.000000       10.94851  
1 1 1 0   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   6  o 441.005 14.913  105895.80  7123.41  0.0000     0.0000   105895.80  7123.41  ?       ?       441.005 14.913  0.000000       14.91333  
1 1 1 0   5   7  o 248.700 4.4917  33518.47   1209.93  33513.71   1711.15  33523.22   1711.06  248.598 6.3551  248.633 6.3538  -0.3530884E-01 8.986535  
1 1 1 0   5   8  o 310.410 5.4030  52234.30   1816.52  53878.07   2569.08  50590.86   2568.82  315.105 7.5275  305.322 7.7680  9.783478       10.81687  
1 1 1 0   5   9  o 217.108 4.0364  25537.72   949.154  24496.34   1342.26  26579.25   1342.35  212.585 5.8295  221.447 5.5966  -8.861496      8.081193  
1 1 1 0   5   10 o 417.678 8.5741  94605.30   3878.84  92653.06   5485.37  96557.72   5485.63  413.052 12.261  421.689 12.011  -8.637512      17.16363  
1 1 1 0   5   11 o 235.362 4.3167  30008.13   1100.42  29306.52   1556.52  30709.21   1555.93  232.558 6.1795  238.062 6.0344  -5.503708      8.637114  
1 1 1 0   5   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   13 o 426.108 8.4919  98457.71   3919.17  104423.20  5543.06  92494.45   5542.03  438.571 11.669  412.696 12.398  25.87534       17.02619  
1 1 1 0   5   14 o 355.290 8.5823  68466.97   3302.61  68466.97   3302.61  0.0000     0.0000   355.290 8.5823  ?       ?       0.000000       8.582322  
1 1 1 0   5   15 o 266.496 5.5391  38493.25   1598.83  40044.73   2771.10  37719.05   1957.51  271.600 9.4200  263.745 6.8525  7.855560       11.64878  
1 1 1 0   5   16 o 117.360 2.9754  7461.35    378.208  7201.03    535.139  7721.14    534.596  115.275 4.2861  119.368 4.1349  -4.093071      5.955495  
1 1 1 0   5   17 o 159.963 3.5933  13865.54   622.570  14015.81   879.556  13714.66   881.339  160.781 5.0508  159.042 5.1164  1.739120       7.189426  
1 1 1 0   5   18 f 268.027 4.8045  38956.09   1394.75  37617.62   1971.88  40296.19   1973.08  263.194 6.9173  272.427 6.6869  -9.233887      9.620971  
1 1 1 0   5   19 o 130.466 3.0949  9224.09    437.335  9697.98    617.872  8748.31    619.099  133.736 4.2656  127.010 4.5004  6.725739       6.200718  
1 1 1 0   5   20 o 377.928 6.8864  77645.41   2818.85  71413.20   4351.04  82153.19   3700.44  361.339 11.118  388.276 8.7992  -26.93658      14.17833  
1 1 1 0   5   21 o 256.802 5.3457  35806.89   1486.87  34932.27   2101.92  36682.89   2103.59  253.300 7.6615  259.602 7.4814  -6.301498      10.70838  
1 1 1 0   5   22 o 42.876  4.0865  1006.33    187.479  948.930    262.170  1066.41    268.203  41.352  6.0310  43.925  5.7777  -2.572437      8.351884  
1 1 1 0   5   23 o 230.432 4.5504  28830.83   1135.71  29658.08   1510.65  27755.44   1722.38  233.496 5.9733  225.685 7.0462  7.811111       9.237394  
1 1 1 0   5   24 o 189.232 3.7723  19436.35   773.163  18897.33   1094.03  19974.18   1092.81  186.365 5.4199  191.626 5.2652  -5.261536      7.556356  
1 1 1 0   5   25 o 146.717 3.2736  11684.87   520.202  11869.17   737.400  11502.28   733.967  147.698 4.6095  145.390 4.6609  2.308243       6.555314  
1 1 1 0   5   26 o 54.349  3.4115  1611.82    199.803  1467.56    286.262  1748.87    279.006  51.581  5.1946  56.453  4.6031  -4.871933      6.940614  
1 1 1 0   5   27 o 123.190 3.0893  8254.29    412.201  8789.13    595.021  7760.79    571.568  126.854 4.3307  119.179 4.4279  7.674789       6.193654  
1 1 1 0   5   28 o 29.725  2.1505  482.276    68.767   994.707    293.532  452.518    70.736   41.828  6.7057  28.772  2.2888  13.05569       7.085548  
1 1 1 0   5   29 o 41.105  4.9464  944.485    215.800  917.200    306.327  971.367    304.061  39.778  7.3818  41.059  7.0939  -1.280300      10.23784  
1 1 1 0   5   30 o 30.357  6.4664  536.317    206.103  662.919    293.098  412.483    289.875  33.347  8.1775  26.857  8.7146  6.490370       11.95055  
1 1 1 0   5   31 o 19.548  7.2306  181.924    202.831  129.072    285.067  236.117    288.661  20.344  8.2663  22.542  8.5645  -2.198170      11.90309  
1 1 1 0   5   32 o 3.5347  1.7484  -56.5893   24.711   79.778     282.854  -57.6381   24.806   19.228  8.0619  3.5241  1.7446  15.70428       8.248549  
1 1 1 0   5   33 o 9.3228  2.8919  47.625     32.240   140.486    286.045  46.430     32.447   20.122  8.2399  9.2379  2.9070  10.88362       8.737672  
1 1 1 0   5   34 o 21.469  7.5237  278.890    216.131  452.645    302.315  97.236     309.110  26.067  8.9101  19.260  8.2639  6.807489       12.15247  
1 1 1 0   5   35 o 26.636  1.9466  391.196    55.770   723.655    410.530  384.945    56.292   30.385  10.383  26.412  1.9822  3.972952       10.57063  
1 1 1 0   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   5  o 236.515 5.0005  30309.08   1280.99  30335.08   1568.84  30257.07   2218.85  236.587 6.1224  236.194 8.6734  0.3927460      10.61655  
1 1 1 0   6   6  o 175.818 3.6729  16746.07   699.431  17209.64   938.039  16165.64   1049.63  178.212 4.8598  172.705 5.6113  5.507172       7.423192  
1 1 1 0   6   7  o 261.066 4.6838  36937.22   1324.40  37064.20   1873.02  36810.25   1872.96  261.418 6.6151  260.519 6.6377  0.8984070      9.371176  
1 1 1 0   6   8  o 220.424 4.0838  26327.52   974.969  27642.19   1379.05  25013.74   1378.58  225.801 5.6387  214.785 5.9259  11.01604       8.179988  
1 1 1 0   6   9  f 452.294 7.5782  110950.30  3712.42  111748.50  5250.14  110152.10  5250.18  453.585 10.687  450.324 10.764  3.261078       15.16810  
1 1 1 0   6   10 o 635.290 21.130  220341.00  14539.25 220341.00  14539.25 0.0000     0.0000   635.290 21.130  ?       ?       0.000000       21.13001  
1 1 1 0   6   11 o 218.626 4.0804  25891.54   966.211  27176.44   1366.92  24608.49   1365.94  223.959 5.6351  213.110 5.9178  10.84914       8.171578  
1 1 1 0   6   12 o 457.648 7.6439  113533.40  3788.91  114471.00  5358.37  112595.80  5358.30  459.315 10.771  455.531 10.860  3.784790       15.29563  
1 1 1 0   6   13 o 198.057 4.4187  21250.90   947.878  21282.10   1641.14  21235.28   1161.14  198.132 7.6475  197.967 5.4153  0.1652222      9.370668  
1 1 1 0   6   14 o 443.645 10.595  106843.90  5090.98  106843.90  5090.98  0.0000     0.0000   443.645 10.595  ?       ?       0.000000       10.59488  
1 1 1 0   6   15 o 237.750 5.5111  30636.78   1419.16  31663.73   2251.76  29960.08   1827.87  241.557 8.6066  235.041 7.1801  6.515701       11.20839  
1 1 1 0   6   16 o 349.652 6.3873  66304.70   2418.93  64073.23   3729.96  67924.39   3177.78  343.353 10.030  353.721 8.2945  -10.36795      13.01526  
1 1 1 0   6   17 o 304.901 5.3506  50412.45   1766.98  48910.94   2498.80  51914.15   2498.97  300.114 7.6873  309.215 7.4616  -9.101013      10.71309  
1 1 1 0   6   18 o 113.242 2.9423  6948.21    360.879  6889.77    513.198  7005.36    507.570  112.735 4.2030  113.679 4.1223  -0.9439392     5.887159  
1 1 1 0   6   19 o 45.137  2.4089  1106.90    117.340  948.887    131.201  1738.44    262.297  41.745  2.9202  56.456  4.3224  -14.71181      5.216368  
1 1 1 0   6   20 o 368.001 6.7894  73613.09   2706.14  71987.78   3551.53  75862.98   4178.59  363.400 9.0232  372.667 10.352  -9.267670      13.73277  
1 1 1 0   6   21 o 84.350  2.6855  3855.67    245.350  4155.61    380.698  3642.58    320.876  87.534  4.0154  81.964  3.6144  5.569740       5.402578  
1 1 1 0   6   22 o 219.631 4.4133  26176.70   1049.86  25746.83   1589.25  26509.54   1398.44  217.524 6.7455  220.853 5.8462  -3.329086      8.926325  
1 1 1 0   6   23 o 194.743 4.6422  20594.02   979.168  20848.07   1499.91  20405.35   1292.60  195.589 7.0803  193.648 6.1628  1.940399       9.386754  
1 1 1 0   6   24 o 43.217  4.0765  1023.10    188.559  940.841    271.533  1099.72    262.045  41.084  6.3033  44.615  5.5422  -3.531181      8.393301  
1 1 1 0   6   25 o 147.869 3.3002  11869.87   528.547  11653.63   725.468  12114.49   771.621  146.353 4.5767  149.188 4.7753  -2.835098      6.614319  
1 1 1 0   6   26 o 91.260  2.9510  4522.88    291.687  4621.62    415.126  4426.59    409.939  92.124  4.1604  90.155  4.1982  1.969284       5.910484  
1 1 1 0   6   27 o 99.696  2.9842  5404.65    322.237  5649.65    469.178  5185.88    443.341  101.716 4.2587  97.463  4.1998  4.253113       5.981215  
1 1 1 0   6   28 o 112.407 3.0911  6881.16    376.334  7166.15    549.281  6629.04    516.649  114.373 4.4341  110.031 4.3352  4.341888       6.201192  
1 1 1 0   6   29 o 73.645  3.4116  2963.02    272.124  2542.65    385.345  3381.20    384.338  67.610  5.3048  78.278  4.5528  -10.66805      6.990632  
1 1 1 0   6   30 o 62.796  2.4994  2147.91    169.996  1846.40    351.110  2240.23    194.286  57.263  5.7383  64.085  2.7991  -6.821819      6.384612  
1 1 1 0   6   31 o 71.251  3.5125  2789.45    271.065  2538.63    382.335  3042.94    384.361  67.171  5.2982  73.800  4.8353  -6.628387      7.172945  
1 1 1 0   6   32 o 16.784  1.4382  154.128    25.892   351.143    283.982  152.477    26.001   24.819  8.6284  16.691  1.4527  8.127625       8.749804  
1 1 1 0   6   33 o 25.067  7.3668  384.376    213.253  320.877    298.838  450.266    304.411  23.935  8.7897  26.933  8.9398  -2.997755      12.53708  
1 1 1 0   6   34 o 18.033  7.2118  141.870    213.250  -21.2626   298.429  312.080    304.835  17.323  7.7492  22.988  8.7851  -5.664862      11.71439  
1 1 1 0   6   35 o 12.805  3.1789  95.377     43.884   48.592     450.588  95.825     44.094   20.566  9.3316  12.834  3.1868  7.732210       9.860761  
1 1 1 0   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   5  o 138.986 3.0229  10463.10   455.056  10803.73   643.405  10122.18   643.688  141.217 4.2065  136.689 4.3478  4.528534       6.049679  
1 1 1 0   7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   7  o 245.346 4.4287  32620.59   1176.87  30980.77   1663.98  34261.87   1664.72  239.011 6.4278  251.366 6.1145  -12.35506      8.871515  
1 1 1 0   7   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   9  o 353.404 6.0475  67698.75   2314.81  67154.02   3273.57  68243.52   3273.70  351.816 8.5908  354.664 8.5222  -2.847656      12.10085  
1 1 1 0   7   10 o 242.021 4.4023  31731.88   1153.98  30964.26   1631.89  32499.65   1632.06  239.033 6.3032  244.891 6.1531  -5.858673      8.808575  
1 1 1 0   7   11 o 342.028 6.2932  63391.73   2331.33  63178.52   3595.24  63546.44   3062.48  341.306 9.7255  342.369 8.2586  -1.062775      12.75897  
1 1 1 0   7   12 o 351.930 6.5867  67122.12   2510.68  67559.94   3296.39  66517.25   3874.55  352.985 8.6221  350.163 10.216  2.821777       13.36812  
1 1 1 0   7   13 o 830.558 15.770  375291.41  14186.13 376173.59  24570.48 374850.31  17374.60 827.723 27.407  829.114 19.348  -1.390564      33.54800  
1 1 1 0   7   14 o 661.126 15.476  237926.59  11081.66 237926.59  11081.66 0.0000     0.0000   661.126 15.476  ?       ?       0.000000       15.47570  
1 1 1 0   7   15 o 320.695 6.4484  55760.58   2239.84  57145.45   3880.41  55068.62   2742.92  324.290 11.048  318.603 7.9486  5.687012       13.61003  
1 1 1 0   7   16 o 477.318 9.2210  123761.50  4767.12  122591.40  6741.00  124932.20  6742.46  474.314 13.122  478.848 13.000  -4.534149      18.47113  
1 1 1 0   7   17 o 121.816 3.0229  8039.69    398.845  7899.23    563.934  8180.27    564.172  120.721 4.3130  122.851 4.2400  -2.130547      6.048044  
1 1 1 0   7   18 o 480.660 8.7311  125674.60  4545.44  119493.50  7046.60  130079.40  5948.46  467.091 13.929  488.296 11.247  -21.20477      17.90277  
1 1 1 0   7   19 f 273.959 4.9086  40713.56   1456.51  39822.71   2059.44  41605.07   2060.19  270.707 7.0239  276.719 6.8738  -6.011810      9.827764  
1 1 1 0   7   20 o 157.321 3.4112  13415.97   581.255  12506.61   854.076  14200.55   793.319  151.801 5.1946  161.798 4.5269  -9.996384      6.890356  
1 1 1 0   7   21 o 77.031  3.0039  3216.10    250.622  3096.36    352.246  3338.86    356.660  75.426  4.3299  78.343  4.2188  -2.916718      6.045360  
1 1 1 0   7   22 o 214.023 4.0931  24850.04   948.808  25248.81   1341.22  24450.57   1342.41  215.549 5.7449  212.102 5.8435  3.447403       8.194543  
1 1 1 0   7   23 f 55.467  3.5471  1675.57    211.981  1690.94    296.396  1659.49    303.296  55.571  4.9771  55.026  5.1489  0.5452271      7.161193  
1 1 1 0   7   24 o 94.035  2.6537  4794.19    270.278  5010.73    382.792  4578.92    381.672  96.085  3.6782  91.843  3.8369  4.242195       5.315151  
1 1 1 0   7   25 o 225.398 4.2386  27624.49   1034.78  28777.57   1464.00  26473.28   1462.80  229.626 5.8864  220.167 6.1343  9.458328       8.501691  
1 1 1 0   7   26 o 46.233  2.0359  1159.14    101.951  1036.54    259.670  1181.48    110.852  43.161  5.6936  46.672  2.1929  -3.510418      6.101337  
1 1 1 0   7   27 o 96.518  2.9321  5065.07    306.522  5644.26    446.161  4547.31    421.836  101.705 4.0502  91.250  4.2681  10.45442       5.884007  
1 1 1 0   7   28 o 48.261  2.2284  1265.02    116.479  1105.59    315.457  1290.19    125.336  44.107  6.8236  48.729  2.3748  -4.621422      7.225026  
1 1 1 0   7   29 o 38.793  5.2127  845.667    213.480  913.240    302.911  778.983    300.912  39.707  7.3128  36.445  7.8546  3.261757       10.73177  
1 1 1 0   7   30 o 50.562  2.0440  1389.90    111.935  1088.71    316.795  1432.86    119.654  43.391  6.9772  51.327  2.1523  -7.935852      7.301636  
1 1 1 0   7   31 o 36.508  5.6041  763.852    214.515  513.007    303.983  1012.69    302.762  29.166  8.8496  41.592  6.9672  -12.42622      11.26307  
1 1 1 0   7   32 o 31.691  1.9405  548.904    66.287   586.263    302.295  547.017    67.941   30.736  8.6923  31.629  1.9935  -0.8922596     8.917940  
1 1 1 0   7   33 o 48.377  4.6008  1327.66    238.165  1030.63    333.412  1637.14    340.327  40.870  7.8168  52.940  6.0436  -12.06998      9.880625  
1 1 1 0   7   34 o 43.613  5.1171  1117.08    237.123  1243.71    333.276  987.250    337.448  44.506  7.1563  38.638  8.3103  5.868206       10.96692  
1 1 1 0   7   35 o 37.133  1.3466  751.398    54.160   62.048     445.773  761.726    54.564   20.623  9.3268  37.387  1.3475  -16.76400      9.423590  
1 1 1 0   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   1  o 122.845 2.8238  8173.65    375.718  8098.59    531.378  8248.69    531.312  122.271 4.0124  123.399 3.9753  -1.128220      5.648229  
1 1 1 0   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   4  o 318.591 5.4651  54997.10   1885.82  51482.97   3771.35  56168.71   2177.61  307.973 11.306  321.940 6.2450  -13.96716      12.91626  
1 1 1 0   8   5  o 234.107 8.5983  29726.93   2180.20  0.0000     0.0000   29726.93   2180.20  ?       ?       234.107 8.5983  0.000000       8.598270  
1 1 1 0   8   6  o 213.045 4.2428  24592.09   979.013  24554.46   1301.22  24641.18   1486.21  212.841 5.6445  213.189 6.4365  -0.3476257     8.560857  
1 1 1 0   8   7  o 189.258 4.2400  19409.84   869.141  19274.64   1504.66  19477.53   1064.74  188.478 7.3707  189.558 5.1860  -1.080215      9.012275  
1 1 1 0   8   8  o 213.323 4.0032  24657.44   924.941  24640.04   1307.72  24674.86   1308.41  213.191 5.6634  213.342 5.6624  -0.1505890     8.008505  
1 1 1 0   8   9  o 445.456 7.4962  107605.80  3616.71  106832.70  5114.66  108378.90  5114.92  443.549 10.646  446.755 10.571  -3.206818      15.00282  
1 1 1 0   8   10 o 486.107 8.0877  128113.00  4258.21  135686.70  6022.23  120540.40  6021.81  500.018 11.120  471.222 11.799  28.79654       16.21295  
1 1 1 0   8   11 o 311.183 5.9179  52469.76   1994.60  51477.54   2623.83  53828.16   3070.03  308.163 7.8611  315.073 8.9962  -6.910431      11.94696  
1 1 1 0   8   12 o 132.103 3.0172  9452.22    431.712  9349.14    628.426  9544.34    594.086  131.370 4.4166  132.737 4.1323  -1.367035      6.048312  
1 1 1 0   8   13 o 444.889 9.5716  107369.90  4612.17  108035.40  7186.86  106903.90  6013.95  445.728 14.887  443.655 12.515  2.073334       19.44865  
1 1 1 0   8   14 o 452.770 10.774  111299.30  5283.69  111299.30  5283.69  0.0000     0.0000   452.770 10.774  ?       ?       0.000000       10.77431  
1 1 1 0   8   15 o 154.919 3.9734  13003.03   666.716  12529.05   1096.92  13280.72   839.604  152.008 6.6625  156.545 4.9518  -4.537323      8.301167  
1 1 1 0   8   16 o 588.043 10.366  188000.80  6602.36  184597.59  8628.04  192809.30  10255.82 581.851 13.691  593.933 15.943  -12.08228      21.01452  
1 1 1 0   8   17 o 420.144 8.3564  95913.25   3802.66  95348.76   5377.64  96477.80   5377.89  418.200 11.872  420.685 11.803  -2.485107      16.74095  
1 1 1 0   8   18 o 136.278 3.1293  10063.40   461.895  9969.37    653.621  10157.20   652.815  135.600 4.4504  136.873 4.4035  -1.273087      6.260734  
1 1 1 0   8   19 o 260.276 4.9764  36750.46   1402.89  36098.78   2143.72  37238.61   1855.34  257.648 7.6819  261.833 6.5423  -4.184570      10.09025  
1 1 1 0   8   20 o 328.505 6.1426  58621.03   2185.58  58776.06   2873.64  58408.29   3366.23  328.573 8.0748  327.213 9.4982  1.360352       12.46668  
1 1 1 0   8   21 o 293.849 5.4914  46891.38   1747.75  46494.04   2680.92  47185.07   2304.86  292.044 8.4755  294.470 7.2266  -2.426270      11.13811  
1 1 1 0   8   22 o 69.510  3.1373  2619.34    236.198  2539.52    331.135  2702.01    337.011  68.257  4.5044  70.423  4.4411  -2.165573      6.325546  
1 1 1 0   8   23 o 45.865  4.0233  1150.25    197.842  1452.93    274.859  824.833    284.996  51.476  4.9927  38.297  7.1332  13.17834       8.706841  
1 1 1 0   8   24 f 117.244 3.0583  7455.66    388.362  7062.04    549.748  7847.79    548.705  114.010 4.4520  120.205 4.2145  -6.195534      6.130414  
1 1 1 0   8   25 o 241.641 4.7704  31785.37   1248.52  31947.58   1899.37  31661.96   1656.74  241.437 7.2633  240.691 6.3551  0.7463074      9.651095  
1 1 1 0   8   26 o 84.604  2.6551  3885.33    243.299  3768.13    379.594  3967.05    316.966  83.064  4.2333  85.423  3.4258  -2.359474      5.445842  
1 1 1 0   8   27 f 17.249  6.2740  135.431    151.738  16.055     228.213  230.023    203.148  16.968  7.1845  21.238  7.3026  -4.269360      10.24424  
1 1 1 0   8   28 o 123.754 2.9814  8337.71    399.626  7381.33    570.464  9259.30    559.994  116.040 4.5389  130.150 3.9725  -14.11002      6.031806  
1 1 1 0   8   29 o 50.481  4.2029  1407.94    227.711  1258.25    321.263  1559.06    322.806  47.058  6.4747  52.706  5.7479  -5.648281      8.657930  
1 1 1 0   8   30 o 61.879  2.6214  2086.99    175.689  2034.85    354.303  2103.99    202.314  60.221  5.4924  62.067  3.0095  -1.846092      6.262908  
1 1 1 0   8   31 o 50.702  4.2634  1431.67    231.953  1956.29    329.474  916.129    326.608  58.947  5.2143  39.078  7.9863  19.86935       9.537833  
1 1 1 0   8   32 o 40.016  2.5510  878.885    109.987  1112.19    322.976  848.279    116.979  43.286  7.1378  39.263  2.7685  4.022724       7.655855  
1 1 1 0   8   33 o 15.981  6.7976  34.031     205.885  3.1250     287.397  66.612     295.085  17.879  7.8176  19.054  8.1222  -1.174795      11.27322  
1 1 1 0   8   34 o 4.4097  2.1958  -104.9289  41.587   -60.9937   316.724  -105.6996  41.950   17.249  7.8255  4.4308  2.2061  12.81842       8.130509  
1 1 1 0   8   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   2  o 289.257 5.8851  45338.36   1843.76  45412.90   2258.13  45189.28   3193.49  289.451 7.2028  288.607 10.216  0.8439331      12.50004  
1 1 1 0   9   3  o 215.021 3.9587  25044.98   921.944  24350.77   1303.79  25739.27   1303.86  211.990 5.6783  217.953 5.5233  -5.963425      7.921509  
1 1 1 0   9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   7  o 332.341 5.7579  59885.53   2072.60  60624.18   2931.00  59146.77   2931.21  334.192 8.0975  330.085 8.1988  4.106903       11.52344  
1 1 1 0   9   8  o 294.541 5.4850  47027.33   1749.82  46461.57   2688.25  47443.27   2304.96  292.568 8.4834  295.738 7.1959  -3.170105      11.12430  
1 1 1 0   9   9  o 370.280 6.3288  74318.82   2538.18  75580.55   3589.38  73056.89   3589.68  373.244 8.8789  366.948 9.0319  6.295837       12.66532  
1 1 1 0   9   10 o 518.209 8.6342  145610.91  4846.13  149502.59  6853.46  141719.09  6853.47  524.777 12.058  510.900 12.385  13.87729       17.28533  
1 1 1 0   9   11 o 97.446  2.5831  5142.98    272.634  5176.81    378.435  5106.48    393.110  97.761  3.5740  97.094  3.7381  0.6672516      5.171727  
1 1 1 0   9   12 o 267.743 4.7770  38836.79   1385.30  39232.61   1958.98  38440.88   1959.23  269.053 6.7224  266.323 6.7921  2.730743       9.556323  
1 1 1 0   9   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   14 o 249.022 6.4215  33613.21   1731.99  33613.21   1731.99  0.0000     0.0000   249.022 6.4215  ?       ?       0.000000       6.421525  
1 1 1 0   9   15 o 343.777 8.1602  64125.04   3038.42  70529.69   4200.61  57097.06   4400.27  360.281 10.765  323.970 12.540  36.31137       16.52680  
1 1 1 0   9   16 o 224.235 4.1957  27247.73   1019.01  26699.78   1440.96  27795.90   1441.24  221.893 5.9957  226.408 5.8773  -4.514877      8.395854  
1 1 1 0   9   17 o 154.167 3.3156  12878.11   553.633  12689.19   782.982  13067.00   782.929  152.990 4.7252  155.253 4.6560  -2.263290      6.633669  
1 1 1 0   9   18 o 105.313 2.7977  6009.05    319.116  5864.01    442.341  6166.46    460.821  104.011 3.9265  106.658 3.9890  -2.647026      5.597332  
1 1 1 0   9   19 o 168.306 3.4849  15353.68   635.269  14875.51   898.503  15831.64   898.307  165.588 5.0098  170.836 4.8548  -5.248001      6.976206  
1 1 1 0   9   20 f 152.314 3.7159  12577.89   613.016  12736.78   909.680  12445.70   829.700  153.171 5.4833  151.439 5.0584  1.732742       7.460158  
1 1 1 0   9   21 f 315.866 5.5295  54184.12   1891.73  52879.01   2674.36  55491.09   2676.26  311.577 7.9247  319.222 7.7404  -7.645111      11.07770  
1 1 1 0   9   22 o 168.240 3.5808  15349.44   652.497  14054.19   959.074  16465.60   890.299  160.835 5.5056  174.161 4.7197  -13.32658      7.251665  
1 1 1 0   9   23 o 342.747 6.3369  63945.56   2352.46  64453.76   3091.22  63246.22   3626.22  343.477 8.3093  339.639 9.8575  3.837036       12.89239  
1 1 1 0   9   24 o 173.492 3.5910  16335.25   674.777  16252.74   951.945  16418.58   956.629  172.869 5.0842  173.749 5.0834  -0.8798676     7.189578  
1 1 1 0   9   25 o 146.326 3.2928  11624.40   521.864  11077.33   734.820  12181.12   741.276  142.648 4.7561  149.615 4.5744  -6.967438      6.598876  
1 1 1 0   9   26 o 135.800 3.3591  10024.76   494.073  10271.57   681.170  9750.75    717.709  137.240 4.5825  133.636 4.9585  3.604080       6.751775  
1 1 1 0   9   27 o 96.176  2.9675  5030.01    309.121  5300.80    449.069  4786.15    426.156  98.525  4.2082  93.621  4.2027  4.903961       5.947374  
1 1 1 0   9   28 o 61.372  2.4081  2046.82    160.072  1974.42    315.698  2071.87    185.715  59.757  4.9214  61.711  2.7785  -1.954178      5.651618  
1 1 1 0   9   29 o 48.583  4.2985  1306.06    223.855  1426.81    316.000  1184.43    317.160  50.342  5.9077  45.581  6.6177  4.761120       8.871049  
1 1 1 0   9   30 o 65.669  2.6790  2351.28    190.549  2340.21    223.519  2380.72    364.526  65.428  3.1541  65.280  5.1987  0.1482620      6.080682  
1 1 1 0   9   31 o 15.623  6.6418  19.613     196.366  239.064    275.816  -205.9490  279.629  22.355  8.3993  15.253  7.0768  7.102137       10.98316  
1 1 1 0   9   32 o 25.674  7.1948  396.106    208.095  454.124    294.546  338.289    294.035  27.382  8.7742  24.614  8.7612  2.768242       12.39935  
1 1 1 0   9   33 o 36.633  1.3406  729.240    53.191   751.101    54.015   29.400     305.620  37.178  1.3414  18.736  8.1285  18.44293       8.238425  
1 1 1 0   9   34 o 44.061  1.3213  1056.62    63.059   891.094    106.562  1145.82    78.225   40.146  2.4626  45.835  1.5757  -5.689564      2.923568  
1 1 1 0   9   35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  4  o 420.596 9.9608  95985.20   4537.65  95985.20   4537.65  0.0000     0.0000   420.596 9.9608  ?       ?       0.000000       9.960829  
1 1 1 0   10  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  6  o 511.538 17.195  142996.41  9526.77  0.0000     0.0000   142996.41  9526.77  ?       ?       511.538 17.195  0.000000       17.19484  
1 1 1 0   10  7  o 424.863 7.1601  97934.98   3294.89  95546.21   4659.50  100324.10  4659.85  419.244 10.261  429.637 10.014  -10.39313      14.33773  
1 1 1 0   10  8  o 223.134 4.7818  26982.17   1155.66  26383.18   2000.79  27282.06   1415.70  220.483 8.3783  224.332 5.8265  -3.849243      10.20512  
1 1 1 0   10  9  o 265.561 5.0711  38213.18   1458.62  37497.04   1925.38  39177.82   2234.58  263.004 6.7590  268.795 7.6755  -5.791138      10.22725  
1 1 1 0   10  10 o 57.464  2.0286  1788.39    126.259  1910.68    155.373  1550.62    216.642  59.395  2.4152  53.370  3.7721  6.025238       4.479028  
1 1 1 0   10  11 o 683.854 22.688  255302.30  16804.52 0.0000     0.0000   255302.30  16804.52 ?       ?       683.854 22.688  0.000000       22.68780  
1 1 1 0   10  12 o 691.525 11.378  259541.50  8522.01  262266.50  12051.96 256816.50  12051.92 694.399 16.024  687.114 16.194  7.284424       22.78217  
1 1 1 0   10  13 o 432.845 8.3356  101596.30  3907.87  93758.98   6766.00  105519.50  4787.07  415.199 15.045  440.994 10.022  -25.79538      18.07796  
1 1 1 0   10  14 o 295.048 7.3895  47201.61   2361.44  47201.61   2361.44  0.0000     0.0000   295.048 7.3895  ?       ?       0.000000       7.389500  
1 1 1 0   10  15 o 434.020 9.2557  102270.90  4351.01  114448.10  6785.34  93767.20   5670.23  458.454 13.665  415.138 12.611  43.31561       18.59455  
1 1 1 0   10  16 f 450.976 7.5803  110379.00  3702.64  113181.70  5235.90  107575.50  5236.75  456.195 10.597  444.703 10.872  11.49133       15.18212  
1 1 1 0   10  17 o 158.588 3.3828  13627.70   581.059  13618.16   820.887  13637.27   822.600  158.488 4.7821  158.599 4.7887  -0.1109009     6.767580  
1 1 1 0   10  18 o 104.784 2.7917  5948.87    316.838  5916.72    455.010  5979.12    441.450  104.475 4.0211  105.027 3.8807  -0.5529785     5.588261  
1 1 1 0   10  19 o 283.454 5.4479  43604.21   1672.58  43653.68   2564.04  43567.58   2206.73  283.209 8.3589  283.112 7.1965  0.9707642E-01  11.02997  
1 1 1 0   10  20 o 316.918 5.5249  54527.77   1896.43  57704.26   2682.11  51351.98   2681.81  325.655 7.6041  307.118 8.0622  18.53690       11.08248  
1 1 1 0   10  21 f 257.671 5.2231  36047.09   1457.68  35856.18   2059.35  36238.80   2063.60  256.661 7.4080  258.031 7.3839  -1.369995      10.45944  
1 1 1 0   10  22 o 90.081  2.9737  4398.62    290.138  4192.76    404.744  4616.21    416.127  87.904  4.2511  92.240  4.1652  -4.335785      5.951553  
1 1 1 0   10  23 o 253.595 5.1687  34947.28   1419.70  33515.70   2005.11  36386.42   2010.40  247.885 7.4683  258.351 7.1846  -10.46661      10.36307  
1 1 1 0   10  24 o 192.195 3.7876  20052.50   788.450  19099.30   1112.50  21014.46   1117.59  187.326 5.4832  196.535 5.2502  -9.208572      7.591409  
1 1 1 0   10  25 o 171.830 3.5577  16037.18   662.127  15362.24   933.723  16719.89   939.079  167.906 5.1343  175.206 4.9486  -7.300659      7.130905  
1 1 1 0   10  26 o 104.447 2.9005  5924.77    328.129  6069.47    448.447  5758.03    481.392  105.591 3.9212  102.789 4.3240  2.802277       5.837146  
1 1 1 0   10  27 o 167.831 3.4337  15339.51   624.172  16942.77   889.866  13786.79   875.730  175.967 4.6690  158.578 5.0987  17.38940       6.913445  
1 1 1 0   10  28 o 190.120 3.9806  19761.07   819.672  19513.44   1100.67  20069.39   1228.16  188.180 5.4002  190.489 5.9527  -2.309219      8.037270  
1 1 1 0   10  29 o 58.955  3.8073  1910.99    241.812  1605.06    340.909  2220.78    343.049  53.396  5.9984  63.226  5.0516  -9.830082      7.842193  
1 1 1 0   10  30 o 81.085  3.3267  3598.26    292.162  3349.22    412.404  3849.17    413.959  77.598  4.9325  83.347  4.6035  -5.749023      6.746957  
1 1 1 0   10  31 o 74.327  3.4481  3034.61    277.584  3007.97    391.443  3061.56    393.692  73.297  4.9600  73.957  4.9433  -0.6608429     7.002648  
1 1 1 0   10  32 o 35.296  1.7894  679.589    68.185   672.597    69.955   812.542    305.044  35.106  1.8463  36.486  7.9443  -1.380486      8.156000  
1 1 1 0   10  33 o 54.719  2.1302  1635.57    126.249  1713.62    134.892  1084.44    358.459  55.988  2.2245  41.614  8.2445  14.37362       8.539320  
1 1 1 0   10  34 o 25.128  1.2321  343.445    33.534   347.425    33.658   -192.9144  390.710  25.273  1.2296  17.578  8.2251  7.694939       8.316487  
1 1 1 0   10  35 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   11  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   11  3  o 282.762 4.9538  43318.59   1517.15  43944.31   2145.64  42692.94   2145.50  284.736 6.9574  280.649 7.0582  4.086975       9.910769  
1 1 1 0   11  4  o 392.542 9.4284  83597.33   4008.61  85132.02   5669.32  82062.95   5668.73  395.785 13.225  388.560 13.470  7.225220       18.87694  
1 1 1 0   11  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   11  6  o 320.059 5.5179  55530.86   1912.83  49992.47   3824.92  57377.94   2208.89  303.155 11.649  325.291 6.2695  -22.13538      13.22892  
1 1 1 0   11  7  o 173.987 3.4367  16400.39   647.623  15711.74   1294.60  16630.24   747.934  170.182 7.0235  175.190 3.9417  -5.007935      8.053946  
1 1 1 0   11  8  o 455.488 7.6490  112548.80  3773.55  110940.70  5336.43  114157.00  5336.78  451.821 10.905  458.346 10.750  -6.525085      15.31270  
1 1 1 0   11  9  o 355.684 6.1048  68565.12   2351.83  67778.84   3325.70  69351.67   3326.28  353.500 8.6861  357.584 8.5884  -4.084259      12.21509  
1 1 1 0   11  10 o 628.664 11.984  214525.80  8160.23  210332.91  9993.91  222913.00  14134.78 622.109 14.832  639.437 20.409  -17.32751      25.22923  
1 1 1 0   11  11 o 607.386 15.141  200508.09  9960.40  214501.00  20937.00 196414.80  11323.91 624.669 30.945  600.808 17.402  23.86115       35.50248  
1 1 1 0   11  12 o 782.889 22.298  334743.19  18907.42 360700.00  35160.00 324183.31  22426.03 804.000 40.506  768.960 26.926  35.03949       48.63914  
1 1 1 0   11  13 o 206.832 4.5331  23176.50   1015.51  20983.45   1752.55  24285.03   1246.00  196.715 8.2255  211.703 5.4340  -14.98798      9.858406  
1 1 1 0   11  14 o 100.896 3.1460  5514.28    343.801  4820.23    436.518  6648.18    557.947  94.324  4.2728  110.770 4.6505  -16.44627      6.315349  
1 1 1 0   11  15 f 113.576 3.4487  6988.23    424.246  7941.34    732.606  6507.35    520.379  121.039 5.5883  109.587 4.3842  11.45206       7.102818  
1 1 1 0   11  16 o 424.148 7.1773  97618.99   3297.23  100174.20  4662.52  95062.78   4663.46  429.259 10.028  418.120 10.298  11.13870       14.37392  
1 1 1 0   11  17 o 254.831 4.8665  35209.34   1343.19  35272.15   1776.88  35125.60   2051.74  254.946 6.4349  254.326 7.4484  0.6192932      9.843051  
1 1 1 0   11  18 o 236.342 4.3188  30283.72   1105.54  30129.09   1562.94  30438.56   1564.00  235.603 6.1248  236.813 6.0976  -1.209274      8.642591  
1 1 1 0   11  19 o 146.864 3.2325  11689.56   514.186  11371.52   726.036  12009.59   728.307  144.795 4.6295  148.807 4.5188  -4.012268      6.469274  
1 1 1 0   11  20 o 193.331 3.9994  20268.21   837.461  19919.68   1257.44  20546.05   1122.69  191.498 6.0625  194.552 5.3278  -3.054382      8.070912  
1 1 1 0   11  21 o 189.899 3.7579  19555.00   772.936  19169.69   1092.25  19941.51   1093.94  187.891 5.3672  191.645 5.2702  -3.754379      7.522089  
1 1 1 0   11  22 f 143.986 3.3764  11241.28   526.552  10769.36   721.838  11777.98   769.786  140.847 4.7318  147.288 4.8254  -6.440857      6.758263  
1 1 1 0   11  23 o 36.172  4.7472  722.759    181.497  432.110    247.109  1063.22    267.446  27.778  7.8601  43.841  5.7727  -16.06280      9.752162  
1 1 1 0   11  24 o 36.298  2.0217  716.227    79.166   705.047    82.824   834.483    269.361  36.005  2.1334  38.566  6.6912  -2.560829      7.023043  
1 1 1 0   11  25 o 96.545  2.8168  5057.35    294.549  4951.84    435.445  5146.34    399.929  95.421  4.2133  97.316  3.7943  -1.894943      5.669961  
1 1 1 0   11  26 o 76.464  3.0039  3176.12    248.774  3102.92    345.878  3254.58    358.078  75.342  4.2560  77.159  4.3018  -1.817101      6.051351  
1 1 1 0   11  27 o 68.049  2.4567  2514.98    181.067  2739.21    214.607  1961.04    337.313  70.987  2.7912  59.553  5.2844  11.43449       5.976264  
1 1 1 0   11  28 o 85.778  2.4770  3999.45    230.130  3721.43    400.601  4136.38    281.149  82.271  4.5129  87.162  2.9781  -4.891014      5.406981  
1 1 1 0   11  29 o 84.233  3.2680  3874.29    298.145  3812.57    421.164  3936.30    422.119  83.068  4.7003  84.433  4.6336  -1.364311      6.600258  
1 1 1 0   11  30 f 107.971 3.2059  6375.85    374.908  6151.37    529.321  6601.83    531.083  105.492 4.6327  109.356 4.4838  -3.864403      6.447186  
1 1 1 0   11  31 o 59.219  3.6686  1937.13    234.144  2057.22    315.083  1789.03    349.908  60.603  4.8406  56.061  5.8488  4.542145       7.592130  
1 1 1 0   11  32 o 69.468  2.7371  2642.37    205.941  2545.97    243.984  2881.24    384.058  68.016  3.3119  71.479  4.9921  -3.463242      5.990842  
1 1 1 0   11  33 f 73.324  2.3024  2941.52    182.852  2726.05    257.811  3159.63    259.380  70.172  3.3921  75.653  3.1655  -5.481148      4.639689  
1 1 1 0   11  34 o 24.965  9.0180  410.496    312.711  -596.7615  488.144  1111.56    407.246  16.787  8.1939  39.687  9.5827  -22.90009      12.60825  
1 1 1 0   11  35 o 11.108  3.6070  68.392     49.658   346.756    379.310  63.538     50.089   23.486  9.5383  10.832  3.6272  12.65416       10.20468  
1 1 1 0   11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  2  o 376.004 12.855  76783.03   5235.10  76783.03   5235.10  0.0000     0.0000   376.004 12.855  ?       ?       0.000000       12.85472  
1 1 1 0   12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  5  o 505.138 11.934  138706.41  6529.57  141856.59  9234.51  135556.50  9233.90  509.920 16.720  498.383 17.106  11.53732       23.92041  
1 1 1 0   12  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  7  o 322.820 5.5929  56497.56   1955.54  53538.28   3910.47  57484.39   2258.18  313.704 11.509  325.572 6.4038  -11.86798      13.17068  
1 1 1 0   12  8  o 357.934 8.6945  69526.87   3370.67  67913.31   4766.77  71140.52   4766.92  353.368 12.455  361.702 12.168  -8.333649      17.41187  
1 1 1 0   12  9  o 240.823 4.3923  31419.58   1145.68  30826.10   1619.81  32013.68   1620.65  238.491 6.2708  243.045 6.1565  -4.553955      8.787758  
1 1 1 0   12  10 o 94.461  2.5674  4832.75    262.673  4429.13    376.854  5214.13    366.321  90.425  3.8478  98.114  3.4472  -7.688812      5.166101  
1 1 1 0   12  11 o 306.545 5.3697  50912.87   1782.86  51773.29   2520.82  50051.71   2521.88  309.057 7.5307  303.870 7.6624  5.186615       10.74353  
1 1 1 0   12  12 o 654.255 10.763  232273.20  7626.74  222420.09  10785.55 242127.30  10786.12 639.533 15.571  667.377 14.922  -27.84430      21.56643  
1 1 1 0   12  13 f 619.918 17.349  209334.41  11648.86 208926.59  13847.57 210321.59  21544.37 618.560 20.669  616.141 32.397  2.419250       38.42925  
1 1 1 0   12  14 o 112.117 3.3275  6809.24    404.071  6995.45    497.484  6448.22    692.689  113.633 4.0421  108.915 5.8938  4.717598       7.146716  
1 1 1 0   12  15 o 222.634 4.8131  26861.57   1160.62  24411.40   2008.17  28090.48   1422.20  212.065 8.7430  227.635 5.7684  -15.56958      10.47443  
1 1 1 0   12  16 o 214.020 4.3565  24824.17   1009.86  25969.30   1527.45  23934.94   1346.01  218.804 6.4453  210.086 5.9154  8.717987       8.748309  
1 1 1 0   12  17 o 176.867 3.7575  16952.92   719.806  16054.40   1071.70  17691.39   971.568  172.033 5.7516  180.630 4.9661  -8.596405      7.598897  
1 1 1 0   12  18 o 433.110 7.8589  101969.90  3686.63  93835.67   5706.11  107798.20  4830.07  414.218 12.719  444.792 10.026  -30.57355      16.19519  
1 1 1 0   12  19 o 150.787 3.4480  12323.81   563.123  12154.89   826.568  12470.13   769.268  149.674 5.0987  151.624 4.6842  -1.950790      6.923809  
1 1 1 0   12  20 o 268.447 4.8295  39101.79   1404.21  37293.31   1984.85  40913.92   1986.85  261.887 6.9975  274.354 6.6863  -12.46652      9.678393  
1 1 1 0   12  21 o 463.199 7.8134  116857.10  3919.91  116666.60  5543.19  117047.50  5543.98  461.491 11.090  462.252 11.073  -0.7606812     15.67165  
1 1 1 0   12  22 o 54.393  2.3133  1603.16    136.283  1609.47    155.213  1581.90    284.763  54.495  2.6297  53.749  4.9471  0.7463455      5.602562  
1 1 1 0   12  23 o 90.527  2.9883  4443.29    293.002  4131.52    407.797  4776.00    421.267  87.238  4.3159  93.804  4.1463  -6.566521      5.984898  
1 1 1 0   12  24 o 226.474 4.4391  27870.94   1088.90  25767.99   1647.64  29501.69   1450.91  217.215 7.0033  232.737 5.7558  -15.52190      9.065055  
1 1 1 0   12  25 o 130.309 3.2429  9219.44    457.696  9120.19    625.348  9333.95    671.694  129.458 4.4599  130.926 4.7367  -1.467880      6.505901  
1 1 1 0   12  26 f 90.727  2.9537  4471.42    290.253  4230.74    405.093  4725.34    416.087  88.109  4.2449  93.133  4.1249  -5.024162      5.918923  
1 1 1 0   12  27 o 50.316  1.7180  1373.00    93.624   1436.36    99.470   880.979    277.192  51.461  1.7846  39.383  6.7406  12.07735       6.972849  
1 1 1 0   12  28 o 39.141  2.2485  834.948    94.923   1015.66    266.039  808.587    101.611  42.465  5.9473  38.493  2.4499  3.972313       6.432174  
1 1 1 0   12  29 o 79.192  3.3255  3425.67    285.240  3310.94    401.789  3542.26    405.012  77.349  4.8199  80.060  4.6912  -2.710236      6.725964  
1 1 1 0   12  30 o 21.645  7.2562  255.194    200.458  579.045    280.738  -81.6758   286.325  31.131  8.2088  17.127  7.6310  14.00377       11.20787  
1 1 1 0   12  31 o 44.389  1.6155  1070.48    77.672   1404.65    109.655  733.987    110.035  50.806  1.9927  36.536  2.8020  14.26987       3.438296  
1 1 1 0   12  32 o 24.820  1.5963  336.238    42.685   337.964    43.070   240.956    320.024  24.882  1.6067  22.942  8.9386  1.940710       9.081838  
1 1 1 0   12  33 o 35.313  8.4920  795.912    320.819  1586.07    496.282  228.661    420.492  49.314  9.6371  23.869  9.9038  25.44482       13.81881  
1 1 1 0   12  34 o 19.155  8.1908  108.606    301.789  544.268    475.944  -184.3419  390.280  27.662  10.865  17.598  8.2300  10.06334       13.63046  
1 1 1 0   12  35 o 30.539  9.3556  691.157    338.630  640.875    400.343  817.593    634.830  28.713  10.223  30.037  12.285  -1.324482      15.98201  
1 1 1 0   12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  3  o 435.787 14.731  103287.70  6953.31  103287.70  6953.31  0.0000     0.0000   435.787 14.731  ?       ?       0.000000       14.73150  
1 1 1 0   13  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  5  o 242.720 5.0789  31928.07   1335.21  31744.37   1635.42  32295.30   2312.28  241.975 6.2400  243.935 8.7518  -1.959518      10.74858  
1 1 1 0   13  6  o 162.430 3.2790  14293.29   576.861  15348.22   1153.99  13941.87   666.049  168.232 6.3332  160.410 3.8336  7.822113       7.403138  
1 1 1 0   13  7  o 463.117 8.9665  116466.80  4497.63  115732.70  7789.78  116833.90  5508.58  460.386 15.622  463.534 10.972  -3.147858      19.09000  
1 1 1 0   13  8  o 256.191 4.5974  35563.52   1275.71  32360.15   2550.60  36632.22   1473.22  244.156 9.6451  259.991 5.2316  -15.83582      10.97259  
1 1 1 0   13  9  o 533.904 10.265  154672.80  5935.72  153098.20  10280.78 155460.09  7269.80  530.126 17.905  535.004 12.546  -4.877930      21.86292  
1 1 1 0   13  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  11 o 589.237 10.563  188360.59  6741.08  184207.50  10472.06 191299.30  8808.87  581.944 16.614  593.456 13.704  -11.51154      21.53706  
1 1 1 0   13  12 o 701.878 13.344  267611.00  10143.94 269589.81  12423.64 263653.19  17570.11 703.935 16.295  694.461 23.359  9.473450       28.48095  
1 1 1 0   13  13 o 679.341 15.896  251173.41  11696.55 253474.30  16541.21 248872.30  16541.63 680.775 22.433  674.505 22.642  6.270386       31.87372  
1 1 1 0   13  14 o 57.572  3.5823  1802.47    222.274  1709.06    265.193  2023.05    407.522  55.991  4.4086  60.767  6.2824  -4.776917      7.674950  
1 1 1 0   13  15 o 332.314 7.3018  59904.87   2628.16  65360.73   4119.89  56161.20   3412.74  346.755 10.970  321.549 9.7991  25.20602       14.70905  
1 1 1 0   13  16 o 274.909 4.8923  40967.27   1456.72  38934.37   2058.42  43006.89   2061.81  267.859 7.0951  281.546 6.7613  -13.68680      9.800770  
1 1 1 0   13  17 o 395.172 7.2962  84802.12   3122.89  83508.72   4093.99  86601.95   4829.44  391.745 9.6488  398.606 11.186  -6.860962      14.77262  
1 1 1 0   13  18 o 206.275 3.9434  23064.85   881.029  22545.96   1243.78  23587.41   1248.16  203.840 5.6336  208.502 5.5270  -4.662445      7.892076  
1 1 1 0   13  19 o 320.585 5.5781  55784.80   1936.88  52200.07   2738.03  59375.43   2740.28  309.712 8.1623  330.409 7.6573  -20.69739      11.19178  
1 1 1 0   13  20 o 386.013 6.6178  80989.82   2766.86  80767.17   3912.43  81212.59   3913.45  384.772 9.3880  385.838 9.3645  -1.066559      13.26003  
1 1 1 0   13  21 o 150.411 3.4631  12265.59   564.183  12531.66   793.578  11993.69   802.242  151.953 4.8218  148.644 4.9830  3.308411       6.933963  
1 1 1 0   13  22 o 160.351 3.3769  13942.20   586.483  14699.22   797.237  13049.31   865.826  164.568 4.4727  155.001 5.1574  9.567368       6.826681  
1 1 1 0   13  23 o 128.528 3.1388  8957.92    436.957  9181.57    613.759  8728.05    622.230  130.044 4.3575  126.779 4.5314  3.265396       6.286630  
1 1 1 0   13  24 o 102.414 2.8890  5688.46    320.463  5270.25    465.746  6064.46    441.621  98.485  4.3663  105.684 3.8581  -7.199066      5.826567  
1 1 1 0   13  25 o 55.242  2.3563  1654.92    140.984  1609.04    160.108  1813.31    297.465  54.458  2.7144  57.500  4.8209  -3.041420      5.532558  
1 1 1 0   13  26 o 107.926 2.9711  6327.95    347.312  6003.96    486.311  6665.23    496.186  104.950 4.2782  110.601 4.1421  -5.651115      5.954813  
1 1 1 0   13  27 f 139.284 3.2520  10560.71   490.589  9539.81    701.682  11536.98   686.173  131.945 4.9100  145.280 4.3607  -13.33533      6.566863  
1 1 1 0   13  28 o 40.797  1.6752  902.906    74.022   576.953    257.309  932.315    77.289   31.473  7.6279  41.454  1.7214  -9.980343      7.819679  
1 1 1 0   13  29 o 108.424 3.1809  6417.02    373.545  6328.34    527.297  6506.35    529.253  107.234 4.5400  108.749 4.4933  -1.515511      6.387581  
1 1 1 0   13  30 o 33.494  5.9762  645.699    208.849  708.065    291.796  580.194    299.052  34.472  7.9738  31.106  8.5921  3.366159       11.72203  
1 1 1 0   13  31 o 49.338  1.9432  1324.36    103.843  1348.36    109.001  1088.68    341.595  49.773  2.0219  42.807  7.6484  6.966496       7.911099  
1 1 1 0   13  32 o 51.729  6.2377  1550.77    342.436  1854.56    519.271  1316.99    455.522  54.793  9.0668  45.720  9.5088  9.073925       13.13866  
1 1 1 0   13  33 o 43.629  2.2375  1043.79    105.380  927.884    501.797  1049.14    107.784  36.176  11.438  43.730  2.2836  -7.554493      11.66335  
1 1 1 0   13  34 o 18.353  1.9993  186.694    39.099   91.801     287.426  188.483    39.466   18.581  7.9707  18.440  2.0085  0.1413002      8.219827  
1 1 1 0   13  35 o 14.972  7.0738  -204.5438  301.501  -339.4485  354.298  149.636    574.073  15.165  7.3010  22.853  10.432  -7.687521      12.73324  
1 1 1 0   13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   14  0  o 226.959 5.9164  27904.33   1454.38  28849.15   2056.99  26959.83   2056.63  230.736 8.2309  223.048 8.5131  7.688065       11.84147  
1 1 1 0   14  1  o 322.164 7.8675  56270.91   2745.27  60201.01   3882.67  52341.92   3882.12  333.061 10.763  310.512 11.543  22.54922       15.78244  
1 1 1 0   14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   14  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   14  4  o 394.474 13.449  84648.93   5746.03  84648.93   5746.03  0.0000     0.0000   394.474 13.449  ?       ?       0.000000       13.44867  
1 1 1 0   14  5  o 362.427 7.0508  71245.32   2767.76  69211.61   3389.73  75313.25   4794.09  357.065 8.7649  372.096 11.895  -15.03116      14.77582  
1 1 1 0   14  6  o 632.870 21.212  220389.80  14540.28 220389.80  14540.28 0.0000     0.0000   632.870 21.212  ?       ?       0.000000       21.21230  
1 1 1 0   14  7  o 281.454 4.9427  42933.24   1506.75  45541.07   3013.43  42063.91   1739.86  289.563 9.6083  278.551 5.7669  11.01215       11.20610  
1 1 1 0   14  8  o 456.525 8.3240  113054.60  4115.92  114763.30  7618.86  112350.40  4891.05  459.057 15.323  454.943 9.9260  4.114685       18.25733  
1 1 1 0   14  9  o 225.641 4.7817  27583.66   1168.62  29162.26   2823.20  27257.25   1283.77  231.797 11.245  224.292 5.2845  7.505035       12.42487  
1 1 1 0   14  10 o 327.528 6.5618  58133.38   2327.78  58596.34   4031.42  57901.83   2851.08  328.614 11.327  326.820 8.0543  1.793976       13.89837  
1 1 1 0   14  11 o 417.665 7.0612  94546.15   3194.29  95847.39   4517.11  93244.56   4517.70  420.365 9.9212  414.609 10.060  5.756287       14.12934  
1 1 1 0   14  12 o 189.040 4.2305  19359.08   866.194  17236.71   1495.78  20429.92   1062.47  178.311 7.7449  194.185 5.0516  -15.87393      9.246797  
1 1 1 0   14  13 o 597.450 11.390  193807.59  7370.68  203117.70  9027.60  175192.30  12765.28 611.289 13.635  566.320 20.811  44.96918       24.88015  
1 1 1 0   14  14 o 287.491 5.9115  44798.43   1840.73  46217.91   2253.71  41954.00   3190.28  291.953 7.1271  277.948 10.597  14.00415       12.77100  
1 1 1 0   14  15 o 303.574 6.7596  49981.09   2222.57  48732.88   5100.15  50273.70   2469.38  298.372 15.838  304.411 7.4896  -6.039398      17.52002  
1 1 1 0   14  16 o 481.812 8.5148  126093.50  4443.47  126701.60  5814.78  125240.10  6888.94  482.463 11.128  479.158 13.274  3.305542       17.32115  
1 1 1 0   14  17 o 169.159 3.4973  15506.36   640.763  14784.65   903.278  16237.40   909.102  165.118 5.0508  173.049 4.8504  -7.931259      7.002587  
1 1 1 0   14  18 o 201.935 3.8896  22104.14   850.713  23112.05   1201.37  21090.44   1204.82  206.399 5.3740  197.148 5.6423  9.251556       7.792050  
1 1 1 0   14  19 o 198.718 3.9923  21410.39   859.265  21602.51   1148.65  21166.27   1294.81  199.517 5.3154  197.431 6.0551  2.085953       8.057149  
1 1 1 0   14  20 o 274.694 4.9261  40947.42   1465.63  39621.20   2071.72  42276.20   2073.71  269.915 7.0865  278.848 6.8661  -8.932770      9.867222  
1 1 1 0   14  21 o 313.502 5.4709  53376.62   1857.67  52575.68   2626.36  54178.50   2627.92  310.686 7.8048  315.412 7.6924  -4.726105      10.95850  
1 1 1 0   14  22 o 305.245 5.3633  50621.80   1773.17  50576.54   2506.97  50667.10   2508.30  304.616 7.5985  304.889 7.5957  -0.2733459     10.74392  
1 1 1 0   14  23 f 129.059 3.0742  9031.75    429.725  8950.50    600.512  9117.01    615.201  128.397 4.3181  129.581 4.3833  -1.183792      6.153054  
1 1 1 0   14  24 o 166.594 3.6926  15066.70   666.284  14348.96   900.702  15934.12   990.174  162.395 5.1208  171.095 5.3432  -8.699646      7.400856  
1 1 1 0   14  25 o 97.934  2.8183  5204.59    298.949  4900.41    400.605  5586.85    449.093  94.942  3.8957  101.353 4.0910  -6.411705      5.649158  
1 1 1 0   14  26 o 147.815 3.3021  11879.59   528.656  11863.84   745.200  11895.55   750.090  147.425 4.6669  147.616 4.6915  -0.1907501     6.617423  
1 1 1 0   14  27 o 79.055  3.1556  3401.28    270.197  3386.59    384.208  3415.66    380.059  78.551  4.5352  78.904  4.4655  -0.3537369     6.364623  
1 1 1 0   14  28 o 94.783  2.8204  4889.42    289.538  4715.20    422.333  5043.91    397.712  92.799  4.2019  96.070  3.8222  -3.270836      5.680222  
1 1 1 0   14  29 o 57.469  3.8606  1817.53    238.909  1847.65    335.527  1786.54    340.258  57.497  5.4530  56.470  5.6385  1.027092       7.843954  
1 1 1 0   14  30 o 24.187  7.1593  339.397    200.775  408.909    279.293  265.060    288.823  26.624  8.5453  23.322  8.6279  3.302080       12.14343  
1 1 1 0   14  31 o 36.517  1.4750  724.092    58.339   648.290    82.669   799.292    82.340   34.423  2.2293  38.273  1.9932  -3.849987      2.990431  
1 1 1 0   14  32 o 18.213  7.9044  7.5306     289.195  -357.5632  451.826  260.900    376.397  18.577  8.7409  24.228  9.6160  -5.650534      12.99504  
1 1 1 0   14  33 o 16.297  7.4322  -115.2578  290.491  -301.8591  455.057  13.084     377.391  18.694  8.7883  20.100  8.8680  -1.406008      12.48497  
1 1 1 0   14  34 o 44.234  5.1473  1155.63    241.996  1138.24    328.900  1176.15    357.332  42.070  7.4928  42.222  8.1086  -0.1516571     11.04044  
1 1 1 0   14  35 o 24.325  9.0149  409.990    315.585  435.580    381.360  354.393    562.111  24.896  9.7416  24.643  10.850  0.2524281      14.58161  
1 1 1 0   14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  2  o 263.983 4.7247  37756.36   1350.89  37688.18   1910.48  37824.54   1910.41  263.684 6.6894  264.161 6.6771  -0.4770203     9.451549  
1 1 1 0   15  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  6  o 393.213 7.6415  83903.02   3254.44  83091.37   3985.88  85526.25   5636.77  391.102 9.4095  396.213 13.135  -5.111877      16.15757  
1 1 1 0   15  7  o 334.895 5.7904  60798.72   2100.34  58628.94   4200.46  61522.08   2425.30  328.345 11.811  336.828 6.6480  -8.483246      13.55367  
1 1 1 0   15  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  9  o 451.122 7.5113  110315.50  3670.13  108526.80  7339.79  110911.80  4237.99  446.805 15.167  452.271 8.6515  -5.465485      17.46086  
1 1 1 0   15  10 o 661.966 11.606  237796.20  8320.94  220985.20  23960.41 240101.70  8873.19  631.931 35.146  665.081 12.318  -33.14960      37.24195  
1 1 1 0   15  11 o 61.490  2.9076  2047.91    193.648  1551.13    327.581  2314.77    240.090  53.191  5.7790  65.283  3.4073  -12.09224      6.708724  
1 1 1 0   15  12 o 715.951 13.617  278508.69  10559.64 275757.91  18288.64 279884.41  12933.29 710.015 23.782  717.133 16.651  -7.117615      29.03145  
1 1 1 0   15  13 o 673.716 12.847  246633.91  9374.35  247737.91  11481.22 244425.80  16236.77 674.661 15.712  668.402 22.428  6.259644       27.38405  
1 1 1 0   15  14 o 559.885 11.666  170350.70  7074.65  174557.91  7778.41  150206.09  17020.58 566.580 12.675  519.745 30.367  46.83429       32.90654  
1 1 1 0   15  15 f 323.533 7.0216  56778.03   2460.52  51669.50   5683.28  57956.43   2729.59  306.935 17.164  326.818 7.7112  -19.88290      18.81688  
1 1 1 0   15  16 o 136.261 3.1542  10059.24   465.514  11034.65   656.443  9072.49    660.246  142.690 4.2475  129.372 4.7119  13.31827       6.343767  
1 1 1 0   15  17 o 149.510 3.5644  12113.75   577.200  12712.19   815.177  11512.06   817.395  153.112 4.9156  145.695 5.1799  7.417007       7.140984  
1 1 1 0   15  18 o 169.050 3.4939  15488.38   639.737  15257.70   902.695  15721.15   906.769  167.721 4.9692  170.251 4.9174  -2.530930      6.990965  
1 1 1 0   15  19 o 356.796 6.1500  69135.59   2376.63  69775.84   3360.36  68494.81   3361.77  357.949 8.6675  354.628 8.7523  3.320404       12.31785  
1 1 1 0   15  20 o 446.144 7.5315  108310.80  3639.39  109771.40  5147.02  106850.30  5146.74  448.090 10.605  442.031 10.750  6.059692       15.10080  
1 1 1 0   15  21 o 156.205 3.6409  13230.64   615.984  14087.90   871.151  12373.46   871.115  161.097 4.9927  150.952 5.3280  10.14516       7.301710  
1 1 1 0   15  22 o 215.274 4.6400  25158.44   1081.89  25977.92   1529.91  24338.73   1530.12  218.501 6.4646  211.461 6.6808  7.039932       9.296451  
1 1 1 0   15  23 o 60.422  2.4329  1978.73    159.214  1988.50    307.488  1975.15    186.105  60.317  4.7450  60.358  2.8468  -0.4133606E-01 5.533490  
1 1 1 0   15  24 o 156.991 3.4006  13375.41   578.228  13765.60   817.766  12985.26   817.710  159.105 4.7454  154.511 4.8862  4.594513       6.811292  
1 1 1 0   15  25 o 92.303  2.9809  4624.68    298.012  4613.34    417.570  4636.46    425.446  92.086  4.1866  92.310  4.2553  -0.2234955     5.969514  
1 1 1 0   15  26 o 134.879 3.1745  9889.23    463.758  9415.78    653.240  10370.32   658.497  131.342 4.5920  137.881 4.4094  -6.538849      6.366245  
1 1 1 0   15  27 o 205.663 3.9857  23090.10   887.837  23357.54   1257.01  22823.85   1254.17  206.035 5.6329  203.637 5.6863  2.398056       8.003957  
1 1 1 0   15  28 o 54.186  1.9330  1593.86    113.449  1921.46    158.174  1246.78    162.810  59.452  2.4564  47.727  3.1676  11.72523       4.008406  
1 1 1 0   15  29 o 79.070  2.7893  3406.82    238.878  3472.50    400.278  3370.49    297.702  79.253  4.6839  78.508  3.5011  0.7456894      5.847763  
1 1 1 0   15  30 o 86.874  3.3471  4133.02    314.940  4151.86    434.586  4112.19    457.048  86.508  4.6553  85.969  4.9291  0.5389862      6.780000  
1 1 1 0   15  31 f 76.638  2.7699  3211.19    229.919  3632.11    325.336  2791.20    324.974  81.205  3.6990  70.877  4.2529  10.32742       5.636422  
1 1 1 0   15  32 o 21.655  8.5358  199.359    294.694  512.359    456.219  -24.7494   386.038  29.473  10.855  20.265  8.9534  9.208218       14.07080  
1 1 1 0   15  33 o 32.722  6.5505  648.551    224.061  699.674    302.833  586.714    333.059  32.996  8.4398  29.918  9.2972  3.078136       12.55659  
1 1 1 0   15  34 o 43.904  5.2212  1141.88    243.414  901.955    329.112  1431.62    361.664  36.479  8.4891  47.455  7.2678  -10.97603      11.17522  
1 1 1 0   15  35 o 22.840  1.5856  286.408    38.981   -409.0508  358.483  294.730    39.214   14.732  7.1528  23.174  1.5716  -8.441234      7.323445  
1 1 1 0   15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   16  0  o 67.647  3.2756  2478.49    240.003  2622.19    339.759  2335.36    339.073  69.429  4.5432  65.484  4.8144  3.944656       6.619643  
1 1 1 0   16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   16  2  o 305.403 5.3430  50542.89   1767.39  50187.38   2499.47  50898.39   2499.45  304.229 7.5854  306.379 7.5321  -2.150208      10.68973  
1 1 1 0   16  3  o 369.952 7.2739  74217.27   2914.62  76450.60   3569.76  69751.32   5048.00  375.364 8.7804  358.129 13.014  17.23477       15.69900  
1 1 1 0   16  4  o 215.667 4.0269  25201.09   940.643  25879.27   1330.41  24523.20   1330.13  218.500 5.6217  212.693 5.7739  5.807159       8.058608  
1 1 1 0   16  5  o 337.361 5.8215  61706.75   2127.15  62326.57   3008.28  61086.96   3008.21  338.858 8.1965  335.463 8.2793  3.394470       11.65030  
1 1 1 0   16  6  o 476.979 7.9635  123472.80  4114.11  124473.80  5818.27  122471.90  5818.18  478.402 11.229  474.522 11.320  3.879181       15.94475  
1 1 1 0   16  7  o 294.683 7.3295  47097.90   2339.38  46228.48   3307.88  47967.87   3308.90  291.724 10.469  297.177 10.280  -5.453705      14.67249  
1 1 1 0   16  8  o 180.551 3.6976  17658.72   723.086  16339.10   1777.96  17920.24   791.500  173.278 9.5098  181.878 4.0179  -8.599716      10.32375  
1 1 1 0   16  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   16  10 o 829.415 15.625  373944.00  14036.25 329600.69  24310.45 396118.50  17191.19 775.177 28.955  852.988 18.608  -77.81091      34.41848  
1 1 1 0   16  11 o 578.129 10.503  181332.30  6576.53  196773.80  18856.99 179194.09  7017.11  598.646 29.083  574.631 11.275  24.01453       31.19150  
1 1 1 0   16  12 o 553.753 12.961  166567.80  7773.53  0.0000     0.0000   166567.80  7773.53  ?       ?       553.753 12.961  0.000000       12.96080  
1 1 1 0   16  13 o 398.772 7.8210  86227.10   3377.97  85697.85   4137.00  87285.82   5851.23  397.417 9.6110  400.710 13.482  -3.292297      16.55687  
1 1 1 0   16  14 o 473.437 9.1811  121655.30  4707.88  128332.80  5765.81  108298.50  8154.70  486.028 10.953  445.512 16.900  40.51672       20.13865  
1 1 1 0   16  15 o 783.538 14.944  334987.41  12682.16 354256.31  21966.35 325353.31  15532.35 800.147 25.346  770.599 18.610  29.54858       31.44462  
1 1 1 0   16  16 o 252.330 5.3208  34523.37   1454.18  31694.86   2055.48  37357.56   2057.55  241.597 7.8551  262.346 7.2411  -20.74861      10.68345  
1 1 1 0   16  17 o 426.964 7.2191  99005.16   3338.46  96451.38   4720.46  101560.80  4722.13  420.790 10.357  431.854 10.096  -11.06439      14.46357  
1 1 1 0   16  18 o 279.605 5.2700  42413.33   1595.97  42647.99   2105.73  42096.57   2446.52  280.195 6.9386  278.219 8.1188  1.975281       10.67983  
1 1 1 0   16  19 f 312.610 5.4488  53041.16   1844.91  49164.21   2607.45  56927.91   2610.75  300.580 8.0091  323.548 7.4500  -22.96790      10.93840  
1 1 1 0   16  20 o 315.040 5.4918  53887.41   1873.94  49495.52   2648.36  58291.13   2651.93  301.473 8.1107  327.301 7.4807  -25.82819      11.03381  
1 1 1 0   16  21 o 205.813 4.1766  22978.07   931.025  21634.48   1241.29  24706.04   1407.69  199.556 5.7430  213.209 6.0958  -13.65327      8.375019  
1 1 1 0   16  22 o 146.528 3.3033  11641.98   524.247  12013.14   741.081  11270.19   741.715  148.757 4.5996  144.072 4.7532  4.685272       6.614319  
1 1 1 0   16  23 o 101.679 2.9840  5605.98    328.624  5902.48    464.796  5309.60    464.694  104.274 4.1154  98.886  4.3387  5.388657       5.980072  
1 1 1 0   16  24 f 287.493 5.4131  45005.52   1685.55  43964.79   2585.44  45774.83   2222.89  283.051 8.4333  289.375 7.0923  -6.324066      11.01915  
1 1 1 0   16  25 o 126.801 3.1140  8730.00    427.676  9086.17    603.951  8371.77    605.705  129.208 4.3156  123.996 4.5101  5.211792       6.242196  
1 1 1 0   16  26 o 73.078  2.3967  2898.41    189.698  3109.27    231.416  2466.50    331.200  75.657  2.8241  67.065  4.5871  8.591789       5.386727  
1 1 1 0   16  27 o 106.852 3.0257  6212.15    350.165  6274.66    497.421  6150.75    493.025  107.136 4.2866  106.072 4.2914  1.064255       6.065584  
1 1 1 0   16  28 o 157.387 3.7314  13534.75   636.085  13979.14   890.561  13071.94   908.836  159.305 5.1614  153.899 5.4523  5.406158       7.507815  
1 1 1 0   16  29 o 20.351  1.7603  226.525    38.419   300.434    277.009  225.076    38.794   24.090  8.5113  20.283  1.7841  3.807360       8.696256  
1 1 1 0   16  30 o 18.983  7.2280  153.642    205.877  225.945    277.458  65.065     307.101  22.242  8.4096  19.917  8.3781  2.325428       11.87068  
1 1 1 0   16  31 o 26.276  2.9848  382.797    83.438   337.532    85.168   1463.34    416.118  24.591  3.2794  49.522  8.0333  -24.93073      8.676837  
1 1 1 0   16  32 o 78.060  3.5637  3363.56    301.301  3542.15    425.138  3183.34    427.077  79.258  4.9777  74.926  5.2968  4.332367       7.268614  
1 1 1 0   16  33 o 32.315  1.1371  567.077    39.801   161.291    284.991  575.148    40.195   20.290  8.2571  32.544  1.1403  -12.25416      8.335481  
1 1 1 0   16  34 o 48.087  2.9186  1289.34    151.290  1843.22    447.907  1218.01    160.737  53.050  8.0479  46.596  3.2044  6.454132       8.662396  
1 1 1 0   16  35 o 18.123  7.9627  67.375     301.371  350.311    361.645  -575.6592  545.200  23.316  9.3678  17.496  8.5655  5.819834       12.69339  
1 1 1 0   16  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   17  1  o 210.429 3.9580  23988.61   902.085  23695.83   1275.75  24281.38   1275.73  209.103 5.6329  211.673 5.5645  -2.569626      7.917928  
1 1 1 0   17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   17  3  o 208.683 3.9348  23593.83   889.375  23730.45   1257.81  23457.24   1257.73  209.242 5.5500  208.033 5.5819  1.208984       7.871506  
1 1 1 0   17  4  o 284.271 5.0293  43798.84   1548.50  43408.18   2189.97  44189.46   2189.86  282.882 7.1476  285.420 7.0837  -2.538605      10.06319  
1 1 1 0   17  5  o 384.865 6.5555  80336.35   2732.65  81179.58   3864.60  79493.17   3864.49  386.592 9.2296  382.544 9.3270  4.048676       13.12163  
1 1 1 0   17  6  f 195.509 3.6997  20709.37   783.430  20677.96   1108.15  20740.76   1107.73  195.318 5.2383  195.614 5.2283  -0.2967224     7.400984  
1 1 1 0   17  7  o 488.163 8.0995  129267.90  4282.44  132684.80  6056.48  125851.50  6056.10  494.183 11.315  481.247 11.619  12.93570       16.21808  
1 1 1 0   17  8  o 319.499 6.4241  55324.38   2223.07  54062.15   3850.41  55955.53   2722.72  315.579 11.265  321.256 7.8249  -5.676605      13.71596  
1 1 1 0   17  9  o 307.463 6.1844  51225.27   2059.50  0.0000     0.0000   51225.27   2059.50  ?       ?       307.463 6.1844  0.000000       6.184424  
1 1 1 0   17  10 o 436.926 7.3559  103470.90  3481.06  102217.60  6961.39  103888.80  4019.72  433.719 14.819  437.748 8.4782  -4.028259      17.07278  
1 1 1 0   17  11 o 874.514 20.364  417019.31  19288.63 417786.09  27277.98 416252.59  27278.48 872.308 28.872  870.683 28.926  1.624939       40.86921  
1 1 1 0   17  12 o 472.400 9.1598  121040.20  4686.66  0.0000     0.0000   121040.20  4686.66  ?       ?       472.400 9.1598  0.000000       9.159760  
1 1 1 0   17  13 o 440.380 10.533  105274.80  5023.91  102447.90  7105.79  108100.20  7103.96  433.882 15.121  445.748 14.714  -11.86600      21.09850  
1 1 1 0   17  14 o 174.149 4.0967  16431.67   772.732  16263.89   943.374  16773.78   1347.09  173.238 5.0277  175.873 7.0718  -2.635178      8.676876  
1 1 1 0   17  15 o 168.641 4.0321  15410.37   736.481  15481.02   1274.18  15374.92   902.513  168.933 6.9638  168.423 4.9475  0.5095825      8.542366  
1 1 1 0   17  16 o 371.560 6.3601  74900.40   2559.56  75662.00   3619.23  74138.34   3620.30  373.113 8.9558  369.323 9.0504  3.789948       12.73251  
1 1 1 0   17  17 o 525.189 8.7512  150008.91  4977.99  142480.59  7039.04  157541.09  7040.85  510.634 12.727  537.174 12.102  -26.53995      17.56214  
1 1 1 0   17  18 o 283.728 5.8688  43694.08   1803.54  43381.00   2548.70  44008.09   2552.48  282.388 8.3330  284.429 8.2855  -2.040985      11.75110  
1 1 1 0   17  19 o 234.692 4.3554  29871.98   1107.11  30691.00   1565.83  29053.25   1565.56  237.725 6.0814  231.277 6.2498  6.447998       8.720286  
1 1 1 0   17  20 o 305.410 5.3664  50638.71   1775.15  49391.88   2509.07  51888.26   2511.80  301.234 7.6902  308.789 7.5102  -7.554932      10.74911  
1 1 1 0   17  21 o 115.045 3.0350  7174.03    378.181  7072.98    532.068  7277.21    537.633  114.180 4.3024  115.817 4.2859  -1.637497      6.072842  
1 1 1 0   17  22 o 67.932  2.5931  2501.07    190.793  2934.75    331.860  2286.96    233.184  73.420  4.1906  64.857  3.3307  8.563240       5.353007  
1 1 1 0   17  23 o 135.593 3.2676  9971.96    479.887  10256.81   691.995  9708.05    666.071  137.408 4.6497  133.686 4.6001  3.721893       6.540663  
1 1 1 0   17  24 o 157.887 3.4213  13530.31   585.079  13868.91   827.364  13191.60   827.490  159.680 4.7838  155.714 4.9064  3.965515       6.852577  
1 1 1 0   17  25 o 117.652 3.0424  7515.20    387.693  7976.77    548.588  7054.65    547.975  121.075 4.1833  113.827 4.4447  7.248077       6.103774  
1 1 1 0   17  26 o 89.438  2.6073  4343.42    252.570  4705.23    329.189  3825.60    393.811  93.018  3.2674  83.627  4.3629  9.391022       5.450785  
1 1 1 0   17  27 o 174.577 3.5875  16615.68   678.341  16133.35   960.681  17095.28   957.964  171.408 5.1746  176.520 5.0106  -5.111877      7.202930  
1 1 1 0   17  28 o 35.160  1.8269  672.733    69.333   667.683    71.309   760.039    296.505  35.022  1.8869  36.109  7.8087  -1.087090      8.033428  
1 1 1 0   17  29 o 33.540  6.1567  645.998    215.416  671.234    290.921  615.367    320.512  33.688  8.0777  32.161  8.8998  1.527271       12.01894  
1 1 1 0   17  30 o 26.252  8.7997  389.997    294.811  547.930    451.246  272.383    389.409  30.907  10.869  25.182  9.8466  5.724331       14.66602  
1 1 1 0   17  31 o 33.818  1.9556  624.432    71.326   622.983    72.455   669.837    405.559  33.774  1.9895  32.733  10.274  1.040752       10.46448  
1 1 1 0   17  32 o 5.0023  2.3699  -41.0212   34.286   -469.9966  269.365  -33.9566   34.567   12.362  6.0453  5.2378  2.4494  7.123850       6.522661  
1 1 1 0   17  33 o 16.967  7.0030  85.076     208.662  174.830    280.748  -25.6946   311.888  20.423  8.2367  17.950  7.9832  2.472689       11.47061  
1 1 1 0   17  34 o 17.789  7.4529  106.880    241.443  478.412    363.138  -187.4937  323.239  26.240  9.6810  15.905  7.4546  10.33484       12.21854  
1 1 1 0   17  35 o 17.916  8.7010  -455.0269  531.560  0.0000     0.0000   -455.0269  531.560  ?       ?       17.916  8.7010  0.000000       8.701028  
1 1 1 0   17  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   18  1  o 315.927 5.5001  54093.14   1882.04  54612.77   2661.64  53573.54   2661.56  317.322 7.7442  314.284 7.8189  3.038239       11.00491  
1 1 1 0   18  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   18  3  o 592.294 19.827  192291.09  12719.54 192291.09  12719.54 0.0000     0.0000   592.294 19.827  ?       ?       0.000000       19.82731  
1 1 1 0   18  4  o 508.832 17.122  141603.50  9436.39  0.0000     0.0000   141603.50  9436.39  ?       ?       508.832 17.122  0.000000       17.12227  
1 1 1 0   18  5  o 549.621 18.452  165494.80  10984.59 165494.80  10984.59 0.0000     0.0000   549.621 18.452  ?       ?       0.000000       18.45228  
1 1 1 0   18  6  o 579.384 13.582  182794.09  8522.98  182794.09  8522.98  0.0000     0.0000   579.384 13.582  ?       ?       0.000000       13.58171  
1 1 1 0   18  7  o 636.849 10.476  220195.91  7226.00  223860.50  10219.27 216531.50  10218.95 641.340 14.712  630.701 14.959  10.63879       20.98128  
1 1 1 0   18  8  o 646.696 15.140  227396.20  10604.52 232540.91  14997.03 222251.41  14997.10 652.712 21.214  637.992 21.703  14.72076       30.34863  
1 1 1 0   18  9  o 623.044 10.293  210560.41  6945.78  199481.20  13891.07 214253.80  8020.39  604.854 21.204  628.327 11.785  -23.47296      24.25893  
1 1 1 0   18  10 o 651.126 12.340  230142.41  8702.32  209848.59  15071.70 240291.70  10658.53 620.068 22.442  664.984 14.798  -44.91602      26.88153  
1 1 1 0   18  11 o 825.799 16.434  370986.19  14698.55 410324.81  22803.02 343022.41  19225.59 866.155 24.307  792.531 22.397  73.62469       33.05225  
1 1 1 0   18  12 o 137.339 3.7260  10217.42   554.254  0.0000     0.0000   10217.42   554.254  ?       ?       137.339 3.7260  0.000000       3.726016  
1 1 1 0   18  13 o 286.718 5.0984  44545.06   1583.27  42547.40   3166.07  45211.21   1828.29  279.959 10.441  288.828 5.8444  -8.868958      11.96570  
1 1 1 0   18  14 o 415.670 8.8925  93780.69   4003.52  92170.20   6244.96  94904.40   5216.48  411.402 14.015  417.835 11.527  -6.432922      18.14619  
1 1 1 0   18  15 o 448.983 8.7283  109467.50  4244.51  119527.80  7352.77  104439.60  5198.06  468.038 14.504  438.208 10.952  29.83054       18.17479  
1 1 1 0   18  16 o 240.797 4.7016  31432.86   1226.22  31183.23   1625.17  31762.83   1868.46  239.745 6.2586  241.897 7.1315  -2.152771      9.488361  
1 1 1 0   18  17 o 71.844  2.5270  2796.23    196.635  2578.94    245.243  3187.38    329.044  68.987  3.2822  76.580  3.9808  -7.593147      5.159362  
1 1 1 0   18  18 o 257.108 4.6701  35851.15   1300.52  35064.48   1837.89  36640.10   1840.54  254.079 6.6785  259.740 6.5424  -5.661316      9.349066  
1 1 1 0   18  19 o 162.733 3.4445  14354.50   607.116  14482.69   858.926  14226.51   858.257  163.384 4.8537  161.930 4.8935  1.453918       6.892403  
1 1 1 0   18  20 o 308.439 5.7968  51671.10   1936.55  51682.53   2975.15  51662.70   2550.94  307.859 8.9225  308.082 7.6447  -0.2229614     11.74959  
1 1 1 0   18  21 o 461.690 8.6029  116281.00  4301.97  116549.60  6665.66  116089.30  5631.96  459.855 13.383  460.097 11.302  -0.2413940     17.51655  
1 1 1 0   18  22 o 375.152 6.6986  76623.56   2721.82  75268.27   4201.04  77604.04   3573.21  370.406 10.471  376.839 8.7545  -6.432800      13.64893  
1 1 1 0   18  23 f 163.045 3.4629  14421.79   611.535  13865.64   863.989  14980.15   865.696  159.718 4.9944  166.035 4.8139  -6.316498      6.936693  
1 1 1 0   18  24 o 90.814  2.9839  4474.12    293.502  4136.65    414.468  4813.58    415.683  87.122  4.4066  94.125  4.0774  -7.003090      6.003664  
1 1 1 0   18  25 o 103.144 2.9736  5775.73    332.199  5631.57    469.315  5920.48    470.286  101.716 4.2600  104.304 4.1629  -2.588425      5.956234  
1 1 1 0   18  26 o 33.830  4.8573  638.014    172.875  678.285    256.069  604.287    234.338  34.442  7.1004  32.510  6.8702  1.931488       9.880006  
1 1 1 0   18  27 o 82.893  3.1044  3740.13    278.714  3523.10    395.659  3953.90    392.681  80.087  4.5803  84.930  4.2826  -4.842934      6.270586  
1 1 1 0   18  28 o 85.197  2.8941  3952.65    267.055  3491.09    333.306  4780.26    446.316  79.898  3.8515  93.351  4.4142  -13.45322      5.858287  
1 1 1 0   18  29 o 105.257 4.2410  6088.83    483.496  5908.55    754.291  6214.55    629.925  102.292 6.8477  105.670 5.5231  -3.377823      8.797441  
1 1 1 0   18  30 o 45.954  6.7356  1218.62    325.303  1142.20    492.245  1277.87    433.440  42.701  10.673  46.043  9.0142  -3.341900      13.97001  
1 1 1 0   18  31 o 46.277  4.7031  1204.14    232.457  1144.76    316.100  1274.06    343.037  44.243  6.8153  46.624  7.0100  -2.381290      9.776914  
1 1 1 0   18  32 o 27.181  7.2068  447.802    215.617  568.767    291.849  302.431    319.940  30.222  8.5386  24.079  9.0464  6.143801       12.43968  
1 1 1 0   18  33 f 15.283  6.4051  49.741     178.419  -111.9999  218.189  376.165    309.967  13.915  6.3818  24.885  8.9801  -10.97025      11.01677  
1 1 1 0   18  34 o 29.544  1.8089  479.240    57.605   0.0000     0.0000   479.240    57.605   ?       ?       29.544  1.8089  0.000000       1.808920  
1 1 1 0   18  35 o 24.488  10.799  351.393    559.127  0.0000     0.0000   351.393    559.127  ?       ?       24.488  10.799  0.000000       10.79947  
1 1 1 0   18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   18  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   19  1  o 323.755 5.6163  56814.16   1969.40  57377.39   2785.29  56251.05   2785.00  325.215 7.9074  322.001 7.9854  3.213470       11.23802  
1 1 1 0   19  2  o 184.822 3.6253  18506.43   725.729  18612.58   1026.45  18400.33   1026.22  185.315 5.1139  184.254 5.1423  1.060501       7.252263  
1 1 1 0   19  3  o 466.813 15.765  118977.70  7970.74  0.0000     0.0000   118977.70  7970.74  ?       ?       466.813 15.765  0.000000       15.76467  
1 1 1 0   19  4  o 272.102 4.8497  40129.21   1429.27  39838.14   2021.39  40420.23   2021.18  271.001 6.8867  272.977 6.8361  -1.975983      9.703547  
1 1 1 0   19  5  f 463.223 8.9372  116510.70  4483.94  109211.00  5491.51  131112.91  7766.89  448.122 11.314  490.312 14.625  -42.19006      18.49085  
1 1 1 0   19  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   19  7  f 97.745  2.5917  5174.81    274.375  5182.17    388.403  5167.47    387.648  97.808  3.6664  97.669  3.6645  0.1388474      5.183682  
1 1 1 0   19  8  f 355.966 9.6412  68725.63   3717.14  0.0000     0.0000   68725.63   3717.14  ?       ?       355.966 9.6412  0.000000       9.641169  
1 1 1 0   19  9  o 373.010 7.3588  75411.03   2973.02  0.0000     0.0000   75411.03   2973.02  ?       ?       373.010 7.3588  0.000000       7.358810  
1 1 1 0   19  10 f 467.723 7.8051  118586.30  3954.03  113643.70  7907.32  120234.20  4565.87  457.175 15.969  470.891 8.9523  -13.71564      18.30712  
1 1 1 0   19  11 o 748.332 14.213  304314.09  11520.19 320558.41  19954.04 296192.59  14109.11 765.596 24.064  737.590 17.661  28.00610       29.84908  
1 1 1 0   19  12 o 878.869 29.210  425143.41  27804.80 0.0000     0.0000   425143.41  27804.80 ?       ?       878.869 29.210  0.000000       29.20960  
1 1 1 0   19  13 o 113.195 2.8865  6940.29    353.889  8150.60    723.991  6560.32    405.653  122.638 5.4505  110.049 3.4033  12.58982       6.425756  
1 1 1 0   19  14 o 258.998 5.3531  36357.93   1501.66  37250.46   2595.53  35908.85   1841.08  261.947 9.1484  257.337 6.6054  4.609314       11.28379  
1 1 1 0   19  15 o 209.526 4.6166  23793.49   1047.68  24621.51   1816.36  23380.66   1282.53  212.980 7.8740  207.657 5.7023  5.322754       9.721910  
1 1 1 0   19  16 o 247.118 5.2226  33114.00   1397.86  34317.88   2422.74  32513.24   1711.47  251.261 8.9025  244.783 6.4553  6.477905       10.99664  
1 1 1 0   19  17 o 329.193 6.5929  58833.55   2350.72  65137.11   4073.26  55685.70   2878.44  345.639 10.880  320.032 8.3041  25.60706       13.68735  
1 1 1 0   19  18 o 382.707 8.3934  79697.80   3479.14  82688.59   4418.99  74820.88   5642.91  389.303 10.480  369.209 14.111  20.09396       17.57712  
1 1 1 0   19  19 o 220.656 4.1704  26403.63   996.700  25246.76   1408.05  27565.42   1411.05  215.609 6.0295  225.318 5.7820  -9.708969      8.353812  
1 1 1 0   19  20 o 286.600 5.5007  44601.19   1707.53  44534.96   2251.53  44690.86   2619.69  286.105 7.2658  286.373 8.4459  -0.2682800     11.14115  
1 1 1 0   19  21 f 121.650 3.1051  8021.98    409.121  7971.23    575.390  8073.87    581.833  121.206 4.3830  121.983 4.4038  -0.7767563     6.213197  
1 1 1 0   19  22 o 51.710  3.7082  1457.88    206.307  1599.61    289.946  1312.55    293.612  54.038  5.0109  48.814  5.6584  5.223896       7.558210  
1 1 1 0   19  23 o 45.539  3.9210  1133.93    191.512  1337.23    273.314  937.826    268.431  49.322  5.1943  41.037  6.2355  8.284992       8.115538  
1 1 1 0   19  24 o 195.426 3.8621  20744.89   817.485  21378.08   1156.49  20112.56   1155.70  198.103 5.3899  192.116 5.5541  5.987778       7.739452  
1 1 1 0   19  25 o 123.193 3.0993  8241.70    413.548  8233.30    588.146  8249.91    581.599  122.955 4.4164  123.087 4.3625  -0.1323318     6.207764  
1 1 1 0   19  26 o 53.816  3.4617  1582.55    200.706  1915.22    299.451  1311.22    270.442  59.016  4.7244  48.667  5.2116  10.34832       7.034233  
1 1 1 0   19  27 o 78.430  3.1418  3348.95    266.889  3619.42    379.059  3083.05    375.837  81.232  4.3239  74.876  4.6574  6.356255       6.355103  
1 1 1 0   19  28 o 18.463  7.0940  133.213    199.445  385.617    267.962  -180.2982  298.642  26.214  8.3656  16.423  7.5077  9.791145       11.24046  
1 1 1 0   19  29 o 38.416  2.3202  805.692    96.088   1302.02    472.537  784.284    98.139   46.519  9.6930  37.889  2.4039  8.629967       9.986684  
1 1 1 0   19  30 o 39.669  7.5876  928.887    314.127  841.331    478.083  995.403    416.700  36.640  11.094  40.211  9.6834  -3.571404      14.72553  
1 1 1 0   19  31 o 65.000  2.3415  2304.55    164.845  1949.82    314.598  2438.80    193.542  58.861  4.9814  66.793  2.6753  -7.932419      5.654340  
1 1 1 0   19  32 o 50.986  5.4225  1487.53    294.847  2018.06    517.712  1232.84    358.704  57.359  8.5983  45.234  7.5903  12.12426       11.46924  
1 1 1 0   19  33 o 21.733  1.3489  257.831    31.596   0.0000     0.0000   257.831    31.596   ?       ?       21.733  1.3489  0.000000       1.348926  
1 1 1 0   19  34 o 25.698  8.8170  450.776    296.060  0.0000     0.0000   450.776    296.060  ?       ?       25.698  8.8170  0.000000       8.816960  
1 1 1 0   19  35 o ?       ?       -273.1854  61.857   0.0000     0.0000   -273.1854  61.857   ?       ?       ?       ?       0.000000       ?         
1 1 1 0   19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   20  0  o 355.220 8.6304  68412.95   3320.47  67550.77   4695.98  69275.04   4695.72  352.765 12.291  357.249 12.136  -4.484406      17.27221  
1 1 1 0   20  1  o 136.562 3.0055  10102.41   444.553  9964.69    628.474  10240.33   628.912  135.608 4.2789  137.472 4.2238  -1.863831      6.012459  
1 1 1 0   20  2  f 153.608 3.2003  12782.43   532.438  12978.91   753.125  12586.11   752.839  154.759 4.4930  152.398 4.5609  2.361374       6.402313  
1 1 1 0   20  3  o 151.066 3.1824  12363.10   520.708  12018.27   736.435  12707.85   736.348  148.917 4.5658  153.133 4.4396  -4.215668      6.368422  
1 1 1 0   20  4  o 200.550 3.8267  21792.18   831.216  21314.15   1175.55  22270.17   1175.49  198.287 5.4736  202.690 5.3545  -4.402557      7.657079  
1 1 1 0   20  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   20  6  o 267.934 5.5168  38906.29   1600.99  40185.55   1961.06  36349.71   2772.30  272.257 6.6503  258.768 9.8914  13.48947       11.91917  
1 1 1 0   20  7  o 509.628 8.4889  140843.70  4685.71  138361.50  6626.62  143325.91  6626.57  504.760 12.121  513.761 11.909  -9.000397      16.99206  
1 1 1 0   20  8  o 139.085 3.1425  10477.79   473.391  10651.43   646.875  10277.57   694.625  140.224 4.2592  137.737 4.6562  2.486694       6.310369  
1 1 1 0   20  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   20  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   20  11 o 713.656 12.876  276608.41  9952.85  297472.50  28732.98 273763.69  10609.69 732.858 36.198  709.825 13.800  23.03345       38.73981  
1 1 1 0   20  12 o 341.463 6.8036  63200.74   2516.25  64934.84   4359.20  62334.24   3081.43  345.814 11.638  339.034 8.3915  6.779694       14.34816  
1 1 1 0   20  13 o 811.612 13.351  358242.50  11736.69 362255.59  23472.95 356904.81  13552.44 811.006 26.722  809.513 15.457  1.493835       30.87065  
1 1 1 0   20  14 o 230.027 5.2618  28678.92   1310.94  28356.71   2082.16  28890.52   1687.36  228.581 8.4101  230.811 6.7496  -2.229782      10.78369  
1 1 1 0   20  15 o 115.003 3.4469  7165.69    429.349  7623.35    743.284  6936.52    525.975  118.569 5.7878  113.135 4.2924  5.434464       7.205758  
1 1 1 0   20  16 o 273.049 5.2079  40429.44   1540.18  40215.84   4114.93  40464.24   1660.90  270.841 14.076  273.137 5.6143  -2.296356      15.15429  
1 1 1 0   20  17 o 310.667 5.4444  52357.82   1831.97  55204.10   3663.58  51408.81   2115.44  318.226 10.629  307.743 6.3466  10.48343       12.37979  
1 1 1 0   20  18 o 368.107 7.3008  73652.66   2910.82  76128.56   5042.51  72415.32   3564.71  372.925 12.484  364.647 9.0257  8.277740       15.40503  
1 1 1 0   20  19 o 410.589 8.0184  91759.13   3565.86  107091.60  6178.54  84101.45   4366.46  441.797 12.912  392.449 10.272  49.34802       16.49981  
1 1 1 0   20  20 o 193.565 4.7337  20330.80   992.426  19760.25   2079.23  20499.13   1129.38  189.890 10.146  194.309 5.3663  -4.419373      11.47794  
1 1 1 0   20  21 o 166.545 3.5181  15040.07   634.617  14704.27   896.325  15377.61   898.648  164.568 5.0286  168.302 4.9298  -3.734177      7.042041  
1 1 1 0   20  22 o 225.878 4.2545  27690.99   1040.87  27086.01   1470.89  28297.81   1473.13  223.142 6.0860  228.099 5.9627  -4.957397      8.520180  
1 1 1 0   20  23 o 72.207  3.1303  2827.83    244.816  2978.27    349.520  2682.94    343.017  73.921  4.3851  70.130  4.5402  3.791115       6.312111  
1 1 1 0   20  24 f 179.974 4.0208  17600.30   783.783  19096.75   1106.22  16091.78   1110.67  187.206 5.4557  171.742 5.9709  15.46342       8.088019  
1 1 1 0   20  25 o 17.026  6.0644  136.298    140.904  141.246    188.298  130.002    212.411  18.522  6.9438  18.937  7.3090  -0.4154434     10.08153  
1 1 1 0   20  26 o 7.6849  3.8506  -390.3995  136.990  -201.5313  209.390  -531.7341  181.135  12.900  6.0315  8.7289  4.3812  4.171434       7.454781  
1 1 1 0   20  27 o 110.663 3.1364  6667.59    375.923  7030.22    536.574  6318.01    526.831  113.347 4.3707  107.412 4.5285  5.935463       6.293623  
1 1 1 0   20  28 o 73.574  4.9121  2992.61    389.185  3137.58    573.287  2868.69    530.036  74.496  7.1947  71.305  6.9515  3.190865       10.00429  
1 1 1 0   20  29 o 27.825  8.7330  447.298    293.049  178.952    445.135  652.567    389.319  24.973  10.259  33.034  10.013  -8.061390      14.33550  
1 1 1 0   20  30 o 17.854  1.3205  173.885    25.353   -279.7257  436.288  175.422    25.396   19.189  8.8805  17.933  1.3167  1.255342       8.977576  
1 1 1 0   20  31 o 34.352  7.4461  708.463    269.052  920.682    476.467  609.115    326.001  37.656  10.996  31.377  9.0763  6.278839       14.25806  
1 1 1 0   20  32 o ?       ?       -217.1942  37.919   136.838    445.996  -219.7719  38.056   23.441  9.9887  ?       ?       0.000000       9.988654  
1 1 1 0   20  33 o 57.211  2.8110  1805.35    174.183  1657.02    203.741  2208.24    335.772  54.450  3.4728  61.863  5.0554  -7.412460      6.133316  
1 1 1 0   20  34 o 40.027  10.234  1186.72    445.425  0.0000     0.0000   1186.72    445.425  ?       ?       40.027  10.234  0.000000       10.23435  
1 1 1 0   20  35 o 22.489  9.7113  263.593    432.141  0.0000     0.0000   263.593    432.141  ?       ?       22.489  9.7113  0.000000       9.711348  
1 1 1 0   20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   21  1  o 452.267 10.639  111188.90  5211.48  122283.30  7370.78  100098.30  7369.52  473.562 14.370  428.131 15.892  45.43134       21.42608  
1 1 1 0   21  2  o 372.659 6.3541  75311.80   2564.70  73748.06   3627.03  76875.55   3627.02  368.504 9.0874  376.258 8.9001  -7.754181      12.71976  
1 1 1 0   21  3  o 408.003 7.9735  90344.85   3523.57  90286.37   6103.29  90374.09   4315.37  406.990 13.846  407.849 9.7690  -0.8599548     16.94497  
1 1 1 0   21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   21  5  o 155.999 3.2349  13182.91   546.571  13728.92   773.227  12637.63   772.709  159.176 4.4850  152.715 4.6716  6.460953       6.476022  
1 1 1 0   21  6  f 349.709 6.9437  66300.00   2630.07  66649.72   3221.29  65600.73   4555.04  350.539 8.4845  347.486 12.103  3.052826       14.78047  
1 1 1 0   21  7  o 367.192 6.2638  73067.20   2491.16  73261.00   3523.33  72873.48   3522.75  367.554 8.8504  366.579 8.8725  0.9746399      12.53195  
1 1 1 0   21  8  o 255.873 5.3185  35470.96   1473.96  36968.41   2553.86  34723.02   1804.92  261.113 9.0302  253.132 6.5832  7.981323       11.17513  
1 1 1 0   21  9  o 679.526 12.135  250622.30  8931.54  255682.41  16494.04 248522.91  10623.93 684.555 22.246  676.351 14.502  8.204102       26.55557  
1 1 1 0   21  10 o 128.873 3.4225  8995.91    477.723  0.0000     0.0000   8995.91    477.723  ?       ?       128.873 3.4225  0.000000       3.422510  
1 1 1 0   21  11 o 929.648 50.218  490174.19  50377.39 0.0000     0.0000   490174.19  50377.39 ?       ?       929.648 50.218  0.000000       50.21821  
1 1 1 0   21  12 o 822.911 19.180  369450.41  17095.46 396198.81  24176.76 342702.59  24176.50 849.441 26.278  789.156 28.285  60.28503       38.60825  
1 1 1 0   21  13 o 809.159 14.573  356450.19  12771.95 358316.00  23572.33 355674.81  15195.76 806.132 26.998  807.383 17.377  -1.250671      32.10656  
1 1 1 0   21  14 f 279.009 6.6414  42216.31   2007.01  49213.03   4564.60  40539.48   2234.60  300.521 14.024  273.356 7.5475  27.16531       15.92557  
1 1 1 0   21  15 o 350.140 6.4047  66502.16   2428.90  69459.43   4510.27  65294.18   2882.60  357.164 11.659  346.822 7.6738  10.34250       13.95782  
1 1 1 0   21  16 o 168.538 3.5614  15392.67   650.114  15959.96   1244.17  15179.61   762.489  171.477 6.6989  167.346 4.2068  4.130112       7.910251  
1 1 1 0   21  17 o 396.150 6.7626  85220.25   2901.65  92548.47   5802.19  82776.27   3350.75  411.320 13.024  390.230 7.9278  21.08963       15.24705  
1 1 1 0   21  18 o 265.400 5.0662  38214.28   1456.30  41250.23   2721.04  36995.57   1724.00  275.185 9.1293  261.029 6.0979  14.15665       10.97856  
1 1 1 0   21  19 o 161.207 3.4646  14087.10   604.937  14186.21   1202.46  14053.51   699.966  161.546 6.8723  160.988 4.0143  0.5583344      7.958879  
1 1 1 0   21  20 o 160.937 3.4560  14041.64   602.428  14398.59   1203.09  13922.20   695.964  162.718 6.8264  160.222 4.0105  2.496292       7.917336  
1 1 1 0   21  21 o 114.647 3.4308  7126.82    426.023  6881.79    730.273  7253.23    524.528  112.358 6.0228  115.625 4.1884  -3.267509      7.335963  
1 1 1 0   21  22 o 300.986 6.8466  49342.35   2231.98  50867.51   5110.76  48982.91   2481.09  301.585 15.700  299.677 7.6440  1.908325       17.46227  
1 1 1 0   21  23 o 160.755 4.3493  14036.37   757.277  16966.69   1502.47  13038.45   876.792  176.147 7.8751  154.833 5.2283  21.31430       9.452682  
1 1 1 0   21  24 o 179.958 4.5066  17614.84   878.408  18105.81   1799.95  17461.36   1006.39  180.980 9.2129  179.046 5.1896  1.934433       10.57399  
1 1 1 0   21  25 o 198.684 4.4898  21509.97   966.194  22942.61   1679.89  20801.79   1181.10  204.029 7.6018  195.057 5.5905  8.972198       9.436204  
1 1 1 0   21  26 o 123.820 3.6927  8351.77    495.226  9299.07    879.915  7912.60    599.123  129.945 6.2519  120.327 4.5971  9.617844       7.760100  
1 1 1 0   21  27 o 51.718  2.6458  1457.90    147.711  1363.72    167.683  1784.15    312.082  49.952  3.1149  56.764  5.1315  -6.812077      6.002911  
1 1 1 0   21  28 o 45.840  6.6385  1194.85    320.004  698.848    479.875  1592.03    429.423  34.568  11.212  52.627  7.7671  -18.05882      13.63974  
1 1 1 0   21  29 o 14.827  6.7532  -133.4986  238.855  -344.3331  422.546  -34.4938   289.555  18.405  8.5927  17.964  7.8509  0.4413548      11.63924  
1 1 1 0   21  30 f 44.526  5.3374  1121.13    252.274  1221.34    484.971  1083.95    295.384  44.245  10.311  43.345  6.4917  0.9002151      12.18430  
1 1 1 0   21  31 o 52.370  4.7662  1542.10    267.391  2447.66    515.373  1208.55    312.783  64.480  7.5209  45.572  6.5230  18.90795       9.955542  
1 1 1 0   21  32 o 57.604  4.5207  1867.80    279.788  1960.76    539.817  1833.66    327.163  55.919  9.2353  56.621  5.4003  -0.7016449     10.69825  
1 1 1 0   21  33 o 15.693  1.8236  136.193    30.417   58.465     41.137   229.937    45.178   10.326  3.2759  20.399  2.0736  -10.07290      3.877075  
1 1 1 0   21  34 o 22.274  9.6182  205.518    423.871  0.0000     0.0000   205.518    423.871  ?       ?       22.274  9.6182  0.000000       9.618216  
1 1 1 0   21  35 o 22.485  9.8588  245.730    459.886  0.0000     0.0000   245.730    459.886  ?       ?       22.485  9.8588  0.000000       9.858782  
1 1 1 0   21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   22  0  o 325.461 7.9883  57426.83   2815.94  56378.11   3982.34  58475.54   3982.32  322.291 11.408  328.245 11.201  -5.953522      15.98807  
1 1 1 0   22  1  o 205.849 3.8991  22959.65   869.335  23221.33   1229.57  22698.08   1229.28  206.966 5.4851  204.619 5.5467  2.347488       7.800777  
1 1 1 0   22  2  o 476.051 16.066  123796.10  8284.04  123796.10  8284.04  0.0000     0.0000   476.051 16.066  ?       ?       0.000000       16.06639  
1 1 1 0   22  3  o 195.639 3.7564  20737.21   795.979  21154.28   1126.03  20320.65   1125.34  197.553 5.2625  193.617 5.3662  3.935135       7.516046  
1 1 1 0   22  4  o 168.438 3.3963  15369.79   619.605  15618.10   876.498  15121.77   876.010  169.766 4.7668  167.044 4.8418  2.721039       6.794548  
1 1 1 0   22  5  o 589.303 11.297  188657.09  7210.44  187888.00  8831.00  190195.20  12488.70 587.635 13.875  589.870 19.547  -2.234924      23.97121  
1 1 1 0   22  6  o 564.509 10.824  172972.80  6618.25  172734.80  8105.77  173448.91  11462.85 563.795 13.274  563.992 18.765  -0.1962280     22.98537  
1 1 1 0   22  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   22  8  o 623.395 10.263  210788.91  6929.44  215280.80  9799.96  206297.41  9799.45  629.529 14.373  616.213 14.683  13.31573       20.54630  
1 1 1 0   22  9  o 801.718 26.550  351841.41  23054.53 0.0000     0.0000   351841.41  23054.53 ?       ?       801.718 26.550  0.000000       26.55001  
1 1 1 0   22  10 o 230.947 4.2659  28893.16   1067.07  30981.74   2134.66  28197.41   1232.05  239.051 8.2446  228.137 4.9861  10.91374       9.635067  
1 1 1 0   22  11 o 144.084 3.6583  11245.43   570.903  0.0000     0.0000   11245.43   570.903  ?       ?       144.084 3.6583  0.000000       3.658276  
1 1 1 0   22  12 o 160.512 3.7700  13956.66   655.422  14892.98   1143.02  13497.99   800.010  165.763 6.3664  157.839 4.6796  7.923538       7.901292  
1 1 1 0   22  13 o 416.435 7.0448  94036.67   3177.50  99206.95   6355.88  92313.88   3668.88  426.956 13.744  412.507 8.2117  14.44843       16.01055  
1 1 1 0   22  14 o 105.481 3.9978  6028.62    456.738  6092.18    621.569  5954.02    673.388  105.873 5.4388  104.623 5.9672  1.249809       8.073919  
1 1 1 0   22  15 o 446.507 7.5360  108223.40  3644.52  110216.40  7288.50  107559.00  4208.44  449.038 14.986  444.954 8.7324  4.083557       17.34460  
1 1 1 0   22  16 o 560.300 9.3525  170784.91  5675.69  182771.50  11351.29 166789.30  6553.74  576.016 18.194  553.248 10.937  22.76807       21.22872  
1 1 1 0   22  17 o 238.007 4.4151  30713.65   1138.15  28669.87   2271.98  31398.38   1315.06  229.507 9.1398  240.602 5.0464  -11.09470      10.44040  
1 1 1 0   22  18 o 289.293 5.1211  45407.37   1604.61  46396.01   3206.32  45077.03   1853.40  291.630 10.151  288.146 5.9386  3.484192       11.76042  
1 1 1 0   22  19 o 351.573 7.1479  67213.76   2721.84  62318.72   6902.43  68115.07   2961.85  333.808 19.172  353.799 7.7292  -19.99152      20.67117  
1 1 1 0   22  20 o 333.292 5.8349  60342.85   2106.34  61775.89   4209.31  59864.14   2432.84  335.715 11.576  331.791 6.7699  3.924133       13.41051  
1 1 1 0   22  21 o 125.329 3.1571  8515.35    428.558  9472.65    851.856  8190.95    495.881  132.009 5.9579  122.894 3.7254  9.115578       7.026750  
1 1 1 0   22  22 o 241.106 4.7224  31569.24   1233.21  33443.13   2305.42  30818.13   1459.59  247.362 8.6049  238.076 5.6604  9.286255       10.29973  
1 1 1 0   22  23 o 208.853 4.0525  23684.88   916.721  24805.85   1830.95  23309.87   1059.02  212.941 7.9386  207.095 4.7213  5.846161       9.236486  
1 1 1 0   22  24 o 189.061 3.8208  19420.47   782.407  20248.88   1563.91  19143.92   903.619  192.158 7.5142  187.602 4.4471  4.555954       8.731554  
1 1 1 0   22  25 o 112.621 3.0802  6889.44    375.718  7591.12    752.925  6656.78    433.556  117.596 5.9305  110.640 3.6180  6.955894       6.946960  
1 1 1 0   22  26 f 78.919  3.3319  3389.49    284.801  3813.93    592.841  3262.15    324.726  82.857  6.6623  77.257  3.8932  5.599785       7.716462  
1 1 1 0   22  27 o 64.974  3.2458  2299.71    228.419  2094.18    256.147  3097.81    504.757  61.813  3.8450  74.556  6.3099  -12.74301      7.389137  
1 1 1 0   22  28 o 65.664  5.1792  2393.69    365.359  2747.79    540.916  2096.59    495.463  69.587  7.2848  60.513  7.7366  9.074146       10.62656  
1 1 1 0   22  29 o 42.748  5.4692  1030.36    247.422  428.685    474.942  1254.48    289.862  29.319  11.021  47.124  5.8017  -17.80402      12.45459  
1 1 1 0   22  30 o 19.175  7.5330  138.942    228.809  789.967    441.758  -99.7420   267.484  35.544  10.642  16.197  7.2839  19.34686       12.89618  
1 1 1 0   22  31 o 47.231  5.3265  1268.54    267.724  1030.02    503.293  1362.66    316.167  39.604  11.221  48.605  6.1430  -9.000053      12.79262  
1 1 1 0   22  32 o 21.325  7.8846  235.412    241.133  202.658    460.819  247.762    282.964  24.472  10.277  22.285  8.4765  2.187283       13.32165  
1 1 1 0   22  33 o 40.442  6.3277  989.076    268.083  1015.07    505.034  978.876    316.328  36.742  11.454  39.278  7.7109  -2.536152      13.80735  
1 1 1 0   22  34 o 19.017  8.7520  -72.1974   415.277  0.0000     0.0000   -72.1974   415.277  ?       ?       19.017  8.7520  0.000000       8.751988  
1 1 1 0   22  35 o 28.178  1.6490  435.872    50.107   0.0000     0.0000   435.872    50.107   ?       ?       28.178  1.6490  0.000000       1.648994  
1 1 1 0   22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   23  1  o 100.743 2.6067  5497.50    284.425  5326.46    401.802  5669.28    402.675  99.151  3.7415  102.294 3.6344  -3.142395      5.216096  
1 1 1 0   23  2  o 255.991 4.6146  35513.17   1279.46  35581.05   1809.52  35445.30   1809.35  256.147 6.5223  255.658 6.5342  0.4897461      9.232379  
1 1 1 0   23  3  o 497.328 9.5803  134311.20  5160.49  135584.80  6320.47  131764.41  8937.70  499.348 11.686  491.202 16.799  8.145874       20.46437  
1 1 1 0   23  4  o 218.275 4.0750  25813.02   963.393  25900.21   1362.38  25725.80   1362.51  218.596 5.7542  217.858 5.7742  0.7379456      8.151850  
1 1 1 0   23  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   23  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   23  7  o 314.605 5.4803  53625.38   1867.41  54220.17   2641.26  53030.90   2640.57  316.273 7.7104  312.783 7.7944  3.490936       10.96376  
1 1 1 0   23  8  o 515.357 9.9313  144042.20  5543.52  144794.00  6789.53  142538.59  9601.30  516.515 12.136  511.900 17.317  4.614624       21.14643  
1 1 1 0   23  9  o 451.974 8.7474  110760.10  4282.17  109288.80  7416.33  111495.90  5244.79  448.417 15.270  453.340 10.682  -4.923889      18.63507  
1 1 1 0   23  10 o 605.950 10.507  199212.00  6895.68  210558.30  12742.97 194513.70  8200.01  621.683 18.925  598.515 12.649  23.16882       22.76302  
1 1 1 0   23  11 o 89.118  2.9522  4301.73    284.961  0.0000     0.0000   4301.73    284.961  ?       ?       89.118  2.9522  0.000000       2.952229  
1 1 1 0   23  12 o 368.399 7.2582  73582.08   2896.12  78295.28   5019.16  71229.61   3545.98  379.618 12.207  362.348 9.0352  17.27011       15.18715  
1 1 1 0   23  13 o 522.539 8.7251  148177.59  4938.09  157376.30  9876.38  145111.50  5701.97  536.958 16.982  516.909 10.185  20.04840       19.80179  
1 1 1 0   23  14 o 389.568 9.4072  82436.02   3969.29  81397.48   5612.73  83475.08   5614.11  386.506 13.407  391.437 13.242  -4.930847      18.84430  
1 1 1 0   23  15 o 451.593 7.6291  110719.90  3731.55  106334.60  7461.16  112182.70  4309.19  440.795 15.628  454.385 8.7559  -13.59067      17.91359  
1 1 1 0   23  16 o 199.831 4.0784  21644.67   882.724  21849.61   2196.20  21605.18   964.021  200.059 10.169  199.632 4.4585  0.4276581      11.10338  
1 1 1 0   23  17 o 138.077 3.2314  10331.56   483.258  9780.32    1048.33  10480.31   544.571  133.975 7.2514  139.057 3.6157  -5.081879      8.102869  
1 1 1 0   23  18 o 111.944 3.0390  6790.98    368.468  7443.97    729.820  6567.59    426.867  117.102 5.7542  110.073 3.5805  7.028641       6.777174  
1 1 1 0   23  19 o 204.180 4.1012  22608.02   906.967  22278.02   1708.02  22737.60   1070.33  202.323 7.7943  204.710 4.8273  -2.387558      9.168133  
1 1 1 0   23  20 o 234.449 4.5799  29824.18   1163.00  27765.03   2996.89  30189.27   1261.89  224.536 12.371  235.843 4.9400  -11.30661      13.32053  
1 1 1 0   23  21 o 153.733 3.3941  12814.72   565.143  13817.08   1129.29  12479.81   652.764  159.365 6.5425  151.676 3.9735  7.689087       7.654572  
1 1 1 0   23  22 f 276.596 5.0014  41563.97   1498.32  44281.75   2995.53  40657.14   1730.33  284.237 9.7302  273.403 5.8433  10.83414       11.34994  
1 1 1 0   23  23 o 77.037  3.2568  3219.63    271.744  3168.80    542.215  3236.68    314.029  75.929  6.6604  77.218  3.7547  -1.288986      7.645858  
1 1 1 0   23  24 o 85.497  3.1219  3967.60    289.100  4468.13    579.046  3801.40    333.662  90.270  5.9559  83.651  3.6827  6.619408       7.002503  
1 1 1 0   23  25 o 147.082 3.3401  11758.41   532.097  10124.16   1043.99  12331.91   618.453  135.417 7.1432  150.546 3.7929  -15.12880      8.087698  
1 1 1 0   23  26 o 29.917  8.6370  512.941    295.470  1091.86    439.069  33.782     399.450  43.213  9.6274  22.334  9.4834  20.87912       13.51377  
1 1 1 0   23  27 o 63.637  2.8377  2203.14    195.592  2305.81    214.286  1690.51    478.823  65.081  3.0400  54.226  8.4262  10.85494       8.957795  
1 1 1 0   23  28 o 24.022  7.4199  326.174    212.502  1.6575     439.270  425.322    242.804  22.608  9.7769  27.093  7.8318  -4.484936      12.52694  
1 1 1 0   23  29 o 106.659 3.3479  6222.07    386.753  5945.06    756.418  6320.12    450.024  102.456 6.8559  107.317 3.8717  -4.860832      7.873587  
1 1 1 0   23  30 o 27.689  7.5964  456.583    234.684  582.874    454.088  410.555    274.134  31.412  10.911  26.515  8.4614  4.896603       13.80761  
1 1 1 0   23  31 o 19.241  7.6011  142.299    234.173  437.785    454.425  35.462     273.247  28.397  10.756  18.274  7.8034  10.12317       13.28860  
1 1 1 0   23  32 o 60.928  4.3397  2085.03    284.516  2708.09    548.605  1855.79    332.764  67.074  7.6905  56.869  5.4700  10.20571       9.437342  
1 1 1 0   23  33 o 41.742  6.1553  1049.79    269.934  801.949    507.266  1147.69    318.822  32.615  11.518  43.001  7.0928  -10.38591      13.52695  
1 1 1 0   23  34 o 24.202  9.9450  352.472    418.456  0.0000     0.0000   352.472    418.456  ?       ?       24.202  9.9450  0.000000       9.944951  
1 1 1 0   23  35 o 22.983  9.7761  317.967    425.847  0.0000     0.0000   317.967    425.847  ?       ?       22.983  9.7761  0.000000       9.776078  
1 1 1 0   23  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   24  0  o 587.884 19.571  188283.00  12461.41 188283.00  12461.41 0.0000     0.0000   587.884 19.571  ?       ?       0.000000       19.57065  
1 1 1 0   24  1  o 147.012 3.1359  11707.77   499.329  12110.45   705.834  11304.36   706.481  149.497 4.3591  144.433 4.5161  5.064163       6.276709  
1 1 1 0   24  2  o 254.292 4.5852  35040.63   1262.89  34340.33   1786.02  35740.89   1785.97  251.658 6.5525  256.744 6.4225  -5.086899      9.175142  
1 1 1 0   24  3  o 587.737 19.649  189006.00  12507.89 189006.00  12507.89 0.0000     0.0000   587.737 19.649  ?       ?       0.000000       19.64856  
1 1 1 0   24  4  o 152.822 3.1981  12650.75   529.354  12940.69   748.754  12361.02   748.484  154.546 4.4731  151.044 4.5752  3.502670       6.398532  
1 1 1 0   24  5  o 337.580 5.8352  61755.68   2133.54  60427.82   3017.23  63083.63   3017.33  333.817 8.3451  341.083 8.1676  -7.266357      11.67686  
1 1 1 0   24  6  o 586.069 13.759  186580.80  8734.01  186580.80  8734.01  0.0000     0.0000   586.069 13.759  ?       ?       0.000000       13.75924  
1 1 1 0   24  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   24  8  o 646.804 13.519  227178.20  9470.91  224525.59  12378.53 230923.30  14708.62 642.378 17.791  650.893 20.864  -8.514587      27.41947  
1 1 1 0   24  9  o 850.878 19.814  394515.19  18260.04 394515.19  18260.04 0.0000     0.0000   850.878 19.814  ?       ?       0.000000       19.81363  
1 1 1 0   24  10 o 221.051 4.0896  26469.78   979.126  30186.51   1964.58  25241.46   1129.39  235.976 7.6866  215.849 4.8308  20.12639       9.078564  
1 1 1 0   24  11 o 580.968 13.688  183441.70  8613.31  0.0000     0.0000   183441.70  8613.31  ?       ?       580.968 13.688  0.000000       13.68824  
1 1 1 0   24  12 o 391.192 6.6260  82956.98   2807.44  91368.25   5617.13  80156.22   3241.31  410.005 12.649  384.459 7.7840  25.54660       14.85214  
1 1 1 0   24  13 o 31.628  4.8378  554.601    160.455  480.959    319.545  579.429    185.542  29.747  9.0839  32.245  5.5105  -2.498211      10.62463  
1 1 1 0   24  14 o 247.874 6.4186  33322.55   1723.23  33705.86   2436.40  32938.86   2437.63  249.117 9.0297  246.258 9.1392  2.859390       12.84759  
1 1 1 0   24  15 o 130.569 3.2400  9236.91    458.201  9231.21    957.021  9238.60    521.908  130.247 6.8076  130.572 3.6904  -0.3249359     7.743545  
1 1 1 0   24  16 o 200.477 3.8624  21783.30   838.673  22722.10   1677.29  21470.34   968.426  204.516 7.5720  199.003 4.4930  5.512222       8.804684  
1 1 1 0   24  17 o 76.285  2.9593  3153.25    244.509  3561.71    491.053  3018.60    281.947  80.820  5.6452  74.630  3.4880  6.189613       6.635837  
1 1 1 0   24  18 o 227.501 4.6479  28073.38   1145.28  31472.89   2147.97  26723.04   1353.76  240.473 8.2469  221.880 5.6332  18.59358       9.987208  
1 1 1 0   24  19 o 346.072 6.5600  65089.51   2458.89  70482.53   6796.33  64277.26   2637.56  356.233 17.615  343.805 7.0831  12.42795       18.98528  
1 1 1 0   24  20 o 330.194 5.7094  59222.30   2041.89  66485.22   4083.27  56800.50   2357.88  348.503 10.818  323.182 6.7360  25.32071       12.74343  
1 1 1 0   24  21 o 73.778  3.2866  2951.30    262.629  2551.45    511.205  3094.68    306.115  68.098  7.0321  75.536  3.7416  -7.437881      7.965599  
1 1 1 0   24  22 o 205.474 4.1450  22915.99   922.471  20015.16   2292.33  23476.52   1007.66  190.375 11.166  207.933 4.4743  -17.55846      12.02920  
1 1 1 0   24  23 o 122.315 3.2027  8116.48    424.300  8010.71    834.414  8153.37    492.763  121.034 6.3877  122.556 3.7122  -1.522209      7.388067  
1 1 1 0   24  24 o 190.539 3.8504  19731.62   794.630  21207.61   1580.72  19232.48   919.222  196.585 7.4239  187.988 4.5146  8.597244       8.688858  
1 1 1 0   24  25 o 17.891  6.7209  131.200    176.576  488.580    338.762  -2.1183    206.906  29.735  9.3972  15.903  6.7907  13.83171       11.59405  
1 1 1 0   24  26 o 52.447  2.8016  1499.31    158.570  1441.29    169.091  1922.43    456.657  51.388  3.0517  58.419  7.3819  -7.031033      7.987782  
1 1 1 0   24  27 o 92.508  4.5624  4690.35    457.134  4691.75    660.369  4689.06    633.441  91.669  6.6974  91.756  6.4142  -0.8709717E-01 9.273483  
1 1 1 0   24  28 o 93.029  3.3019  4724.49    332.701  4950.16    674.254  4651.86    382.511  93.863  6.6758  92.184  3.8311  1.678993       7.696939  
1 1 1 0   24  29 o 58.384  4.3433  1887.33    272.686  2186.88    523.819  1775.97    319.373  61.324  8.0835  56.324  5.2975  4.999561       9.664682  
1 1 1 0   24  30 o 14.130  3.2017  113.660    47.865   278.105    446.428  111.747    48.143   26.078  10.433  14.007  3.2381  12.07115       10.92357  
1 1 1 0   24  31 o 67.566  2.6897  2497.01    196.831  2284.22    556.763  2527.41    210.419  61.468  8.5981  67.932  2.8598  -6.463600      9.061243  
1 1 1 0   24  32 o ?       ?       -168.3360  34.952   -177.2675  35.205   445.496    291.858  ?       ?       26.876  8.7455  0.000000       8.745544  
1 1 1 0   24  33 o 14.357  6.6036  -115.3546  235.943  -432.4900  455.290  1.0846     275.877  17.305  8.3172  17.140  7.5710  0.1647453      11.24708  
1 1 1 0   24  34 o 20.439  9.1057  78.711     407.575  0.0000     0.0000   78.711     407.575  ?       ?       20.439  9.1057  0.000000       9.105693  
1 1 1 0   24  35 o 14.582  7.1885  -591.8488  405.725  0.0000     0.0000   -591.8488  405.725  ?       ?       14.582  7.1885  0.000000       7.188549  
1 1 1 0   24  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   25  1  o 144.669 3.1033  11337.14   486.254  11361.39   687.864  11312.93   687.469  144.804 4.3858  144.495 4.3927  0.3092651      6.207363  
1 1 1 0   25  2  o 386.494 6.5754  80986.45   2752.53  81121.17   3892.78  80851.73   3892.56  386.599 9.2967  385.955 9.3117  0.6439819      13.15812  
1 1 1 0   25  3  o 137.165 3.0105  10191.08   447.251  10347.39   633.091  10035.35   631.928  138.199 4.2295  136.098 4.2869  2.100540       6.022160  
1 1 1 0   25  4  o 615.635 20.505  206990.91  13672.59 0.0000     0.0000   206990.91  13672.59 ?       ?       615.635 20.505  0.000000       20.50490  
1 1 1 0   25  5  o 419.305 7.0922  95296.25   3220.91  93629.16   4555.03  96963.36   4555.07  415.434 10.123  422.779 9.9474  -7.345123      14.19265  
1 1 1 0   25  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   25  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   25  8  o 539.711 9.5193  157963.30  5564.63  161323.41  7275.55  153227.00  8637.76  545.169 12.322  531.018 15.018  14.15131       19.42602  
1 1 1 0   25  9  o 503.427 8.3842  137405.59  4571.62  136006.50  6465.43  138804.59  6465.06  500.568 11.925  505.702 11.803  -5.134583      16.77884  
1 1 1 0   25  10 o 822.261 19.157  368507.69  17061.36 369910.81  24128.97 367104.69  24127.84 821.189 27.128  818.029 27.232  3.160461       38.43874  
1 1 1 0   25  11 o 559.579 13.170  170156.20  7981.92  0.0000     0.0000   170156.20  7981.92  ?       ?       559.579 13.170  0.000000       13.16971  
1 1 1 0   25  12 o 575.492 9.5552  179749.00  5955.90  191981.59  11912.75 175672.30  6877.10  592.966 18.549  568.702 11.165  24.26367       21.64957  
1 1 1 0   25  13 o 554.331 9.1822  166829.80  5513.00  187309.30  11027.12 160005.20  6365.65  585.466 17.390  542.607 10.831  42.85950       20.48705  
1 1 1 0   25  14 o 258.733 5.3511  36291.75   1499.57  40199.18   2599.20  34342.27   1835.93  272.057 8.8209  251.610 6.7369  20.44711       11.09922  
1 1 1 0   25  15 o 69.706  2.9557  2632.42    223.148  2466.23    448.454  2687.11    257.258  67.134  6.2388  70.422  3.3728  -3.287407      7.092104  
1 1 1 0   25  16 o 24.223  1.3017  318.715    34.027   163.885    301.719  320.710    34.245   22.286  8.6803  24.299  1.3060  -2.012806      8.777981  
1 1 1 0   25  17 o 204.667 4.4934  22714.77   996.083  22644.33   2348.12  22730.22   1099.96  203.451 10.693  204.707 4.9610  -1.255905      11.78815  
1 1 1 0   25  18 o 168.350 3.6862  15364.12   672.151  14974.06   1279.41  15512.82   789.948  165.969 7.1173  169.131 4.3123  -3.162048      8.321738  
1 1 1 0   25  19 o 56.181  3.5170  1717.77    212.929  1495.43    415.296  1797.06    248.007  51.879  7.6177  57.427  4.0125  -5.547371      8.609853  
1 1 1 0   25  20 o 220.637 4.4809  26413.01   1070.82  27516.67   2736.36  26213.43   1163.61  223.786 11.326  219.762 4.8886  4.024170       12.33623  
1 1 1 0   25  21 o 160.461 3.4941  13962.88   607.262  14602.63   1205.86  13745.51   702.898  163.783 6.7976  159.167 4.0773  4.615463       7.926655  
1 1 1 0   25  22 o 134.417 3.2595  9798.88    474.539  9104.11    945.801  10032.61   548.586  129.077 6.7890  135.980 3.7248  -6.903046      7.743695  
1 1 1 0   25  23 o 188.481 4.0121  19293.86   819.038  19609.64   1991.38  19229.57   898.557  188.445 9.7903  188.111 4.4102  0.3347626      10.73782  
1 1 1 0   25  24 o 59.922  2.5146  1947.59    163.199  1926.12    201.310  1988.75    278.744  59.482  3.1358  60.309  4.2953  -0.8272896     5.318189  
1 1 1 0   25  25 o 78.500  3.3786  3350.73    287.260  3365.19    344.822  3317.92    519.300  78.495  4.0698  77.500  6.2394  0.9952774      7.449403  
1 1 1 0   25  26 f 38.633  1.4811  809.128    61.975   747.577    87.912   869.940    87.383   37.047  2.2008  39.990  2.0241  -2.943172      2.990057  
1 1 1 0   25  27 o 27.215  2.1194  404.595    61.981   1180.12    445.755  389.306    62.589   44.747  9.4915  26.686  2.1846  18.06108       9.739704  
1 1 1 0   25  28 o 31.235  1.3010  529.019    44.014   362.090    439.443  530.711    44.237   27.903  10.575  31.285  1.3055  -3.381777      10.65561  
1 1 1 0   25  29 o 43.437  1.5645  1024.08    73.606   759.949    476.450  1030.54    74.500   35.293  11.144  43.573  1.5786  -8.279560      11.25482  
1 1 1 0   25  30 o 33.929  6.8061  676.789    241.413  951.723    470.022  578.269    281.362  38.710  10.801  30.932  8.2474  7.777924       13.58951  
1 1 1 0   25  31 o 35.988  6.5697  762.672    246.643  1050.14    478.313  658.550    287.866  40.149  10.775  32.784  8.1435  7.364754       13.50590  
1 1 1 0   25  32 o 54.783  2.7010  1646.72    160.264  1563.80    182.394  1927.57    335.679  53.162  3.1823  57.934  5.4123  -4.771996      6.278488  
1 1 1 0   25  33 o ?       ?       -360.7714  45.548   570.982    470.094  -369.6015  45.763   28.515  10.907  ?       ?       0.000000       10.90660  
1 1 1 0   25  34 o ?       ?       -416.7531  50.777   0.0000     0.0000   -416.7531  50.777   ?       ?       ?       ?       0.000000       ?         
1 1 1 0   25  35 o 23.305  9.8559  344.716    428.686  0.0000     0.0000   344.716    428.686  ?       ?       23.305  9.8559  0.000000       9.855935  
1 1 1 0   25  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   26  0  o 235.172 6.1030  29964.65   1554.54  29670.17   2198.40  30259.15   2198.49  233.959 8.6755  236.272 8.5909  -2.312851      12.20940  
1 1 1 0   26  1  o 334.668 5.7620  60703.51   2088.62  60380.00   2953.99  61026.91   2953.52  333.641 8.1745  335.427 8.1296  -1.785492      11.52880  
1 1 1 0   26  2  o 435.726 7.3050  102940.90  3447.51  103981.50  4875.72  101900.50  4875.31  437.665 10.286  433.253 10.389  4.412262       14.61956  
1 1 1 0   26  3  o 277.200 4.9242  41633.24   1478.43  41353.53   2090.93  41912.89   2090.70  276.198 6.9895  278.062 6.9419  -1.863556      9.851092  
1 1 1 0   26  4  o 498.674 9.6269  134893.41  5199.65  137028.00  6368.26  130624.10  9005.99  502.406 11.703  489.868 16.974  12.53824       20.61731  
1 1 1 0   26  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   26  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   26  7  o 167.582 3.3884  15211.43   615.034  15117.74   870.480  15304.82   869.102  167.051 4.8110  168.082 4.7740  -1.030823      6.777670  
1 1 1 0   26  8  o 186.976 3.6526  18936.48   739.695  19242.56   1047.52  18632.06   1044.66  188.462 5.1318  185.447 5.2010  3.014740       7.306522  
1 1 1 0   26  9  o 794.698 26.339  345906.81  22671.03 0.0000     0.0000   345906.81  22671.03 ?       ?       794.698 26.339  0.000000       26.33898  
1 1 1 0   26  10 o 348.160 8.2059  65724.17   3094.41  0.0000     0.0000   65724.17   3094.41  ?       ?       348.160 8.2059  0.000000       8.205935  
1 1 1 0   26  11 o 474.969 9.2124  122384.50  4739.21  121884.40  8209.79  122634.40  5803.89  473.165 16.020  475.248 11.275  -2.082764      19.58974  
1 1 1 0   26  12 o 528.589 9.5405  151661.50  5462.11  161366.09  10101.69 147651.80  6493.18  543.846 17.149  521.283 11.500  22.56274       20.64849  
1 1 1 0   26  13 o 629.842 13.540  216069.00  9236.49  221552.41  22331.71 214937.30  10144.89 628.248 32.933  627.807 14.919  0.4410400      36.15513  
1 1 1 0   26  14 o 438.817 11.059  104780.00  5256.30  117387.70  10936.85 100993.10  5993.93  461.278 21.891  430.455 12.856  30.82300       25.38670  
1 1 1 0   26  15 o 402.810 6.8701  88071.69   2997.33  98267.91   5994.32  84672.43   3461.08  424.226 13.046  394.785 8.0943  29.44113       15.35292  
1 1 1 0   26  16 o 205.960 4.0777  22994.19   909.646  20759.31   2276.99  23418.60   992.266  194.842 10.833  207.836 4.4080  -12.99411      11.69501  
1 1 1 0   26  17 o 135.359 3.2257  9929.26    472.906  10823.89   919.156  9607.18    551.501  141.204 6.0100  133.127 3.8248  8.077240       7.123826  
1 1 1 0   26  18 o 271.246 4.8648  39915.75   1429.22  38598.18   2854.86  40356.41   1651.01  265.982 9.9097  272.660 5.5906  -6.678375      11.37793  
1 1 1 0   26  19 o 31.930  0.8911  552.153    30.818   566.917    31.211   -21.7853   194.600  32.354  0.8907  15.136  6.5264  17.21811       6.586897  
1 1 1 0   26  20 o 236.105 4.3973  30245.25   1124.49  29518.60   2247.39  30487.93   1298.76  232.581 8.9214  236.979 5.0600  -4.398666      10.25647  
1 1 1 0   26  21 o 157.307 3.4068  13418.81   580.455  12072.20   1157.56  13871.16   670.900  148.867 7.1792  159.906 3.8737  -11.03902      8.157577  
1 1 1 0   26  22 o 138.767 3.2841  10444.15   493.598  10634.76   975.791  10378.61   572.205  139.726 6.4478  138.294 3.8201  1.431915       7.494455  
1 1 1 0   26  23 o 198.761 4.1415  21462.53   891.579  20155.44   1680.77  21974.35   1051.75  191.760 8.0924  201.002 4.8310  -9.242508      9.424783  
1 1 1 0   26  24 o 48.793  5.5428  1315.98    287.728  1160.83    410.078  1466.42    403.812  45.128  8.7053  51.141  7.5143  -6.013245      11.49981  
1 1 1 0   26  25 o 132.851 4.5309  9630.02    651.963  10955.20   920.231  8294.52    923.809  141.295 6.0131  122.475 6.9931  18.81991       9.222833  
1 1 1 0   26  26 o 33.637  5.7986  639.596    203.626  1133.47    440.785  505.603    229.593  44.009  9.5238  29.606  7.2239  14.40340       11.95351  
1 1 1 0   26  27 o 37.074  5.3564  772.055    208.851  761.951    454.037  774.766    235.212  35.927  10.796  36.957  6.0882  -1.030262      12.39462  
1 1 1 0   26  28 o 55.117  2.4025  1652.34    143.421  1851.74    498.709  1634.36    149.747  56.470  8.4105  54.804  2.5228  1.665726       8.780707  
1 1 1 0   26  29 o 93.812  3.3576  4816.65    341.164  5615.28    679.763  4547.75    394.440  99.790  6.3219  90.955  4.0039  8.835175       7.483195  
1 1 1 0   26  30 o 89.196  3.1114  4357.17    300.582  2644.20    662.352  4801.44    337.316  65.997  9.5432  93.557  3.3288  -27.56003      10.10710  
1 1 1 0   26  31 o 58.213  2.6957  1853.94    169.967  1603.03    536.663  1881.92    179.191  50.230  10.212  58.623  2.8222  -8.392117      10.59497  
1 1 1 0   26  32 o 42.609  2.3999  996.803    110.305  962.203    118.498  1221.36    301.885  41.803  2.6306  45.509  6.2930  -3.705410      6.820674  
1 1 1 0   26  33 o 23.487  8.5866  342.786    284.735  0.0000     0.0000   342.786    284.735  ?       ?       23.487  8.5866  0.000000       8.586624  
1 1 1 0   26  34 o 25.143  10.293  413.684    446.162  0.0000     0.0000   413.684    446.162  ?       ?       25.143  10.293  0.000000       10.29287  
1 1 1 0   26  35 o 30.110  10.674  769.659    436.029  0.0000     0.0000   769.659    436.029  ?       ?       30.110  10.674  0.000000       10.67409  
1 1 1 0   26  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   27  1  o 207.511 3.9264  23327.13   882.472  23563.11   1248.47  23091.49   1247.54  208.525 5.5277  206.427 5.5798  2.098618       7.854313  
1 1 1 0   27  2  o 606.356 20.200  200696.20  13266.09 200696.20  13266.09 0.0000     0.0000   606.356 20.200  ?       ?       0.000000       20.19970  
1 1 1 0   27  3  o 564.107 13.223  172868.09  8079.20  180470.09  11426.15 165267.20  11425.29 575.555 18.329  550.628 19.158  24.92725       26.51356  
1 1 1 0   27  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   27  5  o 323.624 5.6174  56744.56   1968.99  56104.82   2784.59  57384.29   2784.56  321.717 7.9913  325.368 7.9015  -3.651123      11.23811  
1 1 1 0   27  6  o 513.357 8.5580  142869.20  4758.44  145883.30  6729.56  139855.41  6729.34  518.482 11.983  507.634 12.239  10.84738       17.12895  
1 1 1 0   27  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   27  8  o 374.957 6.3657  76186.79   2585.22  78086.38   3656.70  74288.57   3655.39  379.488 8.8965  370.133 9.1181  9.354950       12.73925  
1 1 1 0   27  9  o 238.490 5.0669  30815.54   1308.82  30561.28   1604.32  31321.49   2263.15  237.478 6.2373  240.340 8.6940  -2.861465      10.69996  
1 1 1 0   27  10 o 978.996 32.581  529283.88  34547.23 529283.88  34547.23 0.0000     0.0000   978.996 32.581  ?       ?       0.000000       32.58083  
1 1 1 0   27  11 o 597.347 11.369  193777.50  7355.73  209367.50  12742.09 185985.41  9008.33  619.372 18.994  584.755 14.223  34.61670       23.72928  
1 1 1 0   27  12 o 193.937 3.7362  20376.18   784.793  21707.54   1574.29  19935.92   905.300  200.068 7.2650  191.817 4.3575  8.251099       8.471613  
1 1 1 0   27  13 o 188.997 4.5359  19357.28   928.513  19517.86   1490.81  19255.51   1186.81  189.680 7.2566  188.459 5.8142  1.220810       9.298575  
1 1 1 0   27  14 o 208.787 4.6013  23627.89   1040.54  22199.66   1802.86  24341.31   1274.19  202.186 8.2327  211.874 5.5525  -9.688110      9.930082  
1 1 1 0   27  15 o 169.690 3.6511  15604.26   671.041  15375.27   1594.51  15653.54   739.739  167.942 8.7965  169.945 4.0188  -2.003433      9.671074  
1 1 1 0   27  16 o 41.104  3.9173  924.111    172.290  961.107    337.656  911.088    200.332  41.379  7.8205  40.730  4.6230  0.6490059      9.084738  
1 1 1 0   27  17 f 193.448 3.7980  20285.98   795.771  20840.85   1588.09  20099.95   919.545  195.798 7.4885  192.526 4.4097  3.272079       8.690433  
1 1 1 0   27  18 o 227.035 4.2435  27952.93   1043.48  29219.13   2086.90  27530.83   1204.92  231.666 8.3170  225.260 4.9386  6.406754       9.672787  
1 1 1 0   27  19 o 231.712 4.3318  29122.92   1087.15  28887.78   2169.85  29201.73   1256.19  230.212 8.7022  231.963 5.0000  -1.750412      10.03638  
1 1 1 0   27  20 o 83.602  3.0773  3788.61    278.648  4378.39    558.340  3592.99    321.555  89.585  5.7853  81.400  3.6472  8.184326       6.838950  
1 1 1 0   27  21 o 169.491 3.5610  15580.13   653.712  17371.22   1307.02  14982.62   754.919  178.628 6.7556  166.162 4.1947  12.46593       7.951951  
1 1 1 0   27  22 o 101.008 3.1761  5533.34    347.474  5735.35    669.996  5459.01    406.400  102.462 6.0642  100.299 3.7410  2.162651       7.125297  
1 1 1 0   27  23 o 104.439 3.2293  5918.88    365.297  5698.61    695.756  6002.71    429.216  101.996 6.3293  105.138 3.7692  -3.142456      7.366584  
1 1 1 0   27  24 o 134.604 4.8475  9874.64    706.712  9098.83    958.596  10798.35   1046.00  128.610 6.9069  140.306 6.8831  -11.69655      9.751009  
1 1 1 0   27  25 o 92.104  4.4412  4628.45    443.047  4920.32    661.895  4391.53    596.346  94.347  6.5172  89.194  6.2117  5.153603       9.003310  
1 1 1 0   27  26 o 101.438 3.2128  5601.17    352.985  5960.66    717.608  5486.43    405.424  103.661 6.4231  100.304 3.7318  3.357674       7.428506  
1 1 1 0   27  27 o 71.101  3.5220  2758.81    271.226  3294.16    560.223  2594.91    309.976  76.618  6.8223  68.726  4.1842  7.891739       8.003144  
1 1 1 0   27  28 o 22.597  7.5648  275.743    217.871  267.733    439.354  278.355    250.893  26.315  10.407  23.170  8.1070  3.145298       13.19167  
1 1 1 0   27  29 o 32.670  6.8589  624.368    234.972  1008.58    457.404  486.629    273.871  40.367  10.398  28.667  8.3268  11.70006       13.32126  
1 1 1 0   27  30 o 56.258  4.5302  1766.18    273.703  2134.18    529.469  1631.98    319.737  59.891  8.3927  53.655  5.5837  6.235962       10.08048  
1 1 1 0   27  31 o 35.239  6.6867  734.574    245.880  572.790    485.438  790.403    285.167  30.868  11.223  36.222  7.5150  -5.353979      13.50650  
1 1 1 0   27  32 o 3.8193  1.8129  -25.0555   20.251   23.915     31.033   -61.3713   26.724   7.5576  2.8217  3.6686  1.8152  3.889026       3.355179  
1 1 1 0   27  33 o 31.369  8.7317  671.998    307.574  0.0000     0.0000   671.998    307.574  ?       ?       31.369  8.7317  0.000000       8.731689  
1 1 1 0   27  34 o 27.270  10.377  554.401    424.190  0.0000     0.0000   554.401    424.190  ?       ?       27.270  10.377  0.000000       10.37706  
1 1 1 0   27  35 o 24.676  10.097  448.274    429.144  0.0000     0.0000   448.274    429.144  ?       ?       24.676  10.097  0.000000       10.09747  
1 1 1 0   27  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   28  0  o 365.097 8.8298  72238.33   3491.64  74271.06   4938.27  70206.16   4937.58  370.073 12.320  359.789 12.671  10.28409       17.67288  
1 1 1 0   28  1  o 515.644 12.169  144376.80  6796.10  145702.50  9611.70  143051.41  9610.57  517.327 17.154  512.574 17.311  4.752869       24.37070  
1 1 1 0   28  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   28  3  o 258.037 4.6246  36070.51   1292.48  36305.11   1828.06  35836.02   1827.62  258.831 6.5209  257.152 6.5618  1.678680       9.250918  
1 1 1 0   28  4  o 466.653 7.8123  118039.00  3948.58  121545.60  5584.37  114533.10  5583.91  473.330 10.893  459.448 11.221  13.88205       15.63856  
1 1 1 0   28  5  o 393.409 6.6744  83870.01   2843.97  84641.23   4022.08  83098.87   4021.87  395.089 9.3991  391.468 9.4855  3.620880       13.35358  
1 1 1 0   28  6  o 475.819 7.9484  122721.80  4096.31  123587.50  5793.13  121856.10  5792.99  477.279 11.207  473.918 11.286  3.361115       15.90450  
1 1 1 0   28  7  o 411.230 6.9209  91648.10   3082.59  94896.38   4359.75  88400.77   4359.12  418.313 9.6226  403.722 9.9689  14.59103       13.85539  
1 1 1 0   28  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   28  9  o 192.827 3.6972  20140.80   772.156  21494.24   1095.32  18803.67   1088.70  199.179 5.0772  186.291 5.3957  12.88826       7.408872  
1 1 1 0   28  10 f 255.807 5.2232  35456.23   1447.18  30717.87   2508.98  37818.64   1771.58  237.947 9.7352  264.164 6.1918  -26.21667      11.53747  
1 1 1 0   28  11 o 207.954 4.5709  23430.49   1029.54  23395.28   1790.61  23447.88   1258.33  207.697 7.9598  208.007 5.5853  -0.3095856     9.723861  
1 1 1 0   28  12 o 173.347 3.4574  16278.66   649.128  17696.97   1304.03  15811.43   748.447  180.658 6.6644  170.831 4.0451  9.827682       7.795914  
1 1 1 0   28  13 o 225.151 4.8630  27475.23   1185.89  30723.92   2053.93  25850.65   1452.45  237.927 7.9703  218.340 6.1418  19.58664       10.06217  
1 1 1 0   28  14 o 443.849 8.6580  107030.30  4162.21  113379.80  7208.98  103855.30  5097.70  455.477 14.613  436.832 10.774  18.64441       18.15554  
1 1 1 0   28  15 o 141.535 3.1869  10854.16   488.546  10934.75   972.997  10827.00   564.919  141.949 6.3286  141.345 3.6901  0.6041412      7.325850  
1 1 1 0   28  16 o 249.511 4.9491  33764.00   1337.48  36541.76   3530.55  33298.56   1445.20  258.537 12.608  247.752 5.3857  10.78506       13.71021  
1 1 1 0   28  17 o 187.541 3.7309  19065.58   757.838  19753.96   1512.13  18834.68   875.763  190.634 7.3235  186.370 4.3385  4.264282       8.512111  
1 1 1 0   28  18 o 377.102 6.4496  77261.91   2634.27  76194.72   5267.37  77617.86   3042.02  372.626 13.051  377.768 7.4347  -5.142456      15.02030  
1 1 1 0   28  19 o 142.312 3.2782  10978.24   505.295  11913.35   1004.21  10661.21   584.708  148.066 6.2617  140.218 3.8500  7.848755       7.350668  
1 1 1 0   28  20 o 106.786 2.9722  6180.91    343.768  6111.06    638.708  6209.40    407.887  105.916 5.5874  107.013 3.5191  -1.096794      6.603285  
1 1 1 0   28  21 o 80.429  3.3329  3507.79    290.338  4077.23    550.409  3288.25    341.752  86.390  5.9180  77.741  4.0729  8.649780       7.184113  
1 1 1 0   28  22 o 83.877  2.8882  3814.78    262.391  4119.49    392.470  3568.50    352.840  87.105  4.1600  81.078  4.0180  6.027222       5.783572  
1 1 1 0   28  23 o 81.466  4.4257  3618.78    389.044  3610.84    550.890  3626.69    549.494  81.091  6.3222  81.274  6.2912  -0.1836014     8.919075  
1 1 1 0   28  24 o 58.629  2.7355  1865.43    173.705  1679.98    439.005  1899.86    189.141  54.755  7.6080  59.157  2.9519  -4.402245      8.160654  
1 1 1 0   28  25 o 31.642  6.4195  570.244    212.489  110.874    453.990  699.107    240.452  24.794  10.289  35.088  6.5685  -10.29420      12.20725  
1 1 1 0   28  26 o 28.442  6.8349  466.003    207.936  670.719    443.117  408.194    235.472  34.188  10.740  26.733  7.7083  7.454973       13.22005  
1 1 1 0   28  27 o 36.339  2.1205  719.607    83.097   912.141    462.711  713.190    84.470   38.990  10.654  36.171  2.1661  2.818604       10.87188  
1 1 1 0   28  28 o 22.081  7.5112  259.208    214.826  -161.0018  442.904  388.482    245.658  20.777  9.3556  26.025  7.9677  -5.248135      12.28870  
1 1 1 0   28  29 o 74.230  2.8331  3007.40    227.776  3029.22    308.163  2981.13    338.172  74.160  3.8498  73.426  4.2707  0.7344971      5.749771  
1 1 1 0   28  30 o 40.898  5.6462  956.288    243.443  1130.12    491.555  899.797    280.223  42.056  10.750  39.180  6.8530  2.876179       12.74876  
1 1 1 0   28  31 o 59.288  4.3719  1965.81    278.761  1753.19    541.673  2042.41    325.119  52.776  9.8380  60.131  5.0385  -7.354553      11.05318  
1 1 1 0   28  32 o 41.476  1.6925  936.953    76.031   964.681    78.508   518.291    305.059  42.081  1.7225  28.423  8.9085  13.65751       9.073480  
1 1 1 0   28  33 o 38.588  7.6831  962.714    309.828  0.0000     0.0000   962.714    309.828  ?       ?       38.588  7.6831  0.000000       7.683106  
1 1 1 0   28  34 o 21.235  9.3955  137.500    426.588  0.0000     0.0000   137.500    426.588  ?       ?       21.235  9.3955  0.000000       9.395520  
1 1 1 0   28  35 o 20.624  9.4026  92.984     464.426  0.0000     0.0000   92.984     464.426  ?       ?       20.624  9.4026  0.000000       9.402570  
1 1 1 0   28  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   29  1  o 569.938 13.360  176416.70  8247.06  183007.50  11663.59 169827.00  11662.62 579.712 18.576  558.326 19.286  21.38599       26.77696  
1 1 1 0   29  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   29  4  o 511.130 8.5248  141629.80  4719.41  141682.30  6674.44  141577.30  6674.07  510.959 12.060  510.769 12.064  0.1896667      17.05857  
1 1 1 0   29  5  o 526.692 8.7732  150394.09  5004.78  147581.91  7077.80  153206.30  7077.86  521.448 12.532  531.313 12.299  -9.865112      17.55912  
1 1 1 0   29  6  o 615.258 20.448  206258.70  13626.46 206258.70  13626.46 0.0000     0.0000   615.258 20.448  ?       ?       0.000000       20.44823  
1 1 1 0   29  7  o 109.798 2.7342  6529.54    325.164  6785.52    461.139  6276.39    458.574  111.924 3.8040  107.642 3.9333  4.281586       5.471848  
1 1 1 0   29  8  o 360.695 6.1692  70500.18   2410.14  70782.80   3408.89  70217.70   3408.02  361.306 8.7110  359.859 8.7438  1.446808       12.34242  
1 1 1 0   29  9  o 435.112 7.2942  102625.20  3437.55  106939.20  4862.55  98315.18   4860.32  443.969 10.112  425.657 10.542  18.31177       14.60802  
1 1 1 0   29  10 o 623.150 14.558  211188.80  9825.54  216977.50  13896.93 205402.70  13893.89 630.357 20.355  613.170 20.921  17.18652       29.18865  
1 1 1 0   29  11 o 320.216 8.1963  55620.27   2842.71  60889.19   5816.46  53966.76   3258.38  334.266 16.066  315.329 9.5404  18.93765       18.68481  
1 1 1 0   29  12 o 268.167 5.1776  38975.93   1503.86  40381.30   4024.61  38747.86   1621.30  271.970 13.707  267.363 5.5987  4.606903       14.80601  
1 1 1 0   29  13 o 300.826 6.1029  49074.99   1988.48  52171.23   3442.09  47524.07   2436.12  309.789 10.259  295.924 7.6006  13.86441       12.76741  
1 1 1 0   29  14 o 194.070 4.3873  20414.33   922.211  20628.07   1598.46  20307.69   1129.07  194.917 7.5715  193.520 5.3867  1.396652       9.292163  
1 1 1 0   29  15 o 282.407 5.3656  43257.06   1641.21  45444.64   3062.32  42375.52   1943.97  288.944 9.7851  279.421 6.4233  9.522858       11.70503  
1 1 1 0   29  16 o 241.555 4.4362  31637.26   1160.63  33023.60   2321.33  31175.19   1340.16  246.366 8.6994  239.733 5.1613  6.632843       10.11522  
1 1 1 0   29  17 o 153.735 3.3316  12809.34   554.744  14017.11   1111.01  12408.21   640.271  160.652 6.3850  151.287 3.9074  9.364960       7.485782  
1 1 1 0   29  18 o 107.733 2.9758  6289.87    347.240  6196.18    695.473  6320.98    400.767  106.641 6.0461  107.987 3.4265  -1.345772      6.949568  
1 1 1 0   29  19 o 69.016  3.2315  2581.88    241.561  2807.85    473.523  2502.38    280.855  71.624  6.1641  67.824  3.8390  3.799622       7.261763  
1 1 1 0   29  20 o 172.487 3.5909  16133.48   670.849  18554.10   1342.36  15327.67   774.502  184.670 6.7112  168.079 4.2544  16.59093       7.946110  
1 1 1 0   29  21 o 170.731 3.7042  15811.98   684.972  15235.87   1292.25  16037.10   807.789  167.217 7.1350  171.889 4.3389  -4.672028      8.350717  
1 1 1 0   29  22 o 144.080 4.6780  11280.14   730.020  11753.22   1032.38  10807.01   1032.43  146.842 6.4911  140.767 6.7716  6.075058       9.380251  
1 1 1 0   29  23 o 74.576  3.2492  3018.56    262.445  3182.45    306.279  2565.74    509.099  76.549  3.6941  68.134  6.9981  8.414871       7.913306  
1 1 1 0   29  24 o 157.381 3.5087  13462.22   598.086  14674.50   1166.12  13029.50   696.699  163.571 6.5822  154.718 4.1575  8.852936       7.785228  
1 1 1 0   29  25 o 164.669 3.5948  14762.52   641.143  15046.42   1276.59  14666.76   741.434  164.964 7.1448  163.983 4.1745  0.9816132      8.274954  
1 1 1 0   29  26 o 44.806  4.9567  1114.07    236.521  762.140    471.586  1232.35    273.392  36.150  11.034  47.035  5.4686  -10.88521      12.31526  
1 1 1 0   29  27 o 67.022  3.7152  2461.84    268.638  2919.93    544.522  2314.48    308.839  71.949  7.0791  64.816  4.4257  7.132935       8.348735  
1 1 1 0   29  28 o 70.874  3.6927  2757.14    282.485  3839.23    567.584  2400.84    325.687  82.637  6.3911  65.878  4.5932  16.75957       7.870414  
1 1 1 0   29  29 o 49.716  2.2286  1345.21    120.004  1381.08    132.152  1176.56    286.532  50.352  2.4232  45.464  5.9626  4.888222       6.436190  
1 1 1 0   29  30 o 60.285  4.3016  2022.76    279.028  1870.15    540.800  2078.13    325.733  55.310  9.3614  60.830  4.9878  -5.520218      10.60725  
1 1 1 0   29  31 o 27.100  2.3532  403.925    68.385   1117.36    477.222  388.968    69.098   41.352  10.604  26.576  2.4273  14.77560       10.87857  
1 1 1 0   29  32 f 15.714  7.0151  -48.2764   243.249  -99.3733   460.662  -28.5206   286.439  20.554  9.3683  17.277  7.6688  3.277699       12.10680  
1 1 1 0   29  33 o 25.786  8.7743  446.494    293.155  0.0000     0.0000   446.494    293.155  ?       ?       25.786  8.7743  0.000000       8.774309  
1 1 1 0   29  34 o 20.734  9.2683  94.917     426.091  0.0000     0.0000   94.917     426.091  ?       ?       20.734  9.2683  0.000000       9.268272  
1 1 1 0   29  35 o 31.499  11.238  897.134    484.063  0.0000     0.0000   897.134    484.063  ?       ?       31.499  11.238  0.000000       11.23808  
1 1 1 0   29  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   30  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   30  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   30  2  o 285.388 5.0396  44123.77   1557.78  43308.65   2203.01  44938.92   2203.05  282.686 7.1952  287.961 7.0635  -5.275360      10.08286  
1 1 1 0   30  3  o 237.036 4.2974  30435.69   1103.30  30467.44   1560.42  30403.94   1560.19  237.129 6.0756  236.881 6.0810  0.2473450      8.596008  
1 1 1 0   30  4  o 477.208 7.9823  123437.20  4125.79  124207.80  5834.94  122666.70  5834.55  478.483 11.259  475.500 11.329  2.982910       15.97213  
1 1 1 0   30  5  o 790.335 26.158  341603.91  22391.88 341603.91  22391.88 0.0000     0.0000   790.335 26.158  ?       ?       0.000000       26.15829  
1 1 1 0   30  6  o 411.896 6.9678  91945.41   3108.52  92648.32   4396.25  91242.59   4395.96  413.319 9.8204  410.167 9.8952  3.152130       13.94108  
1 1 1 0   30  7  o 576.175 11.029  180127.80  6882.58  179128.30  8429.38  182126.80  11921.08 574.295 13.552  578.271 19.033  -3.976440      23.36474  
1 1 1 0   30  8  o 423.030 7.1078  96995.44   3256.70  99463.13   4606.11  94528.70   4605.22  428.204 9.9315  417.429 10.186  10.77484       14.22625  
1 1 1 0   30  9  o 658.673 12.508  235631.91  8923.69  233177.41  15457.00 236859.00  10928.98 653.306 21.844  659.916 15.290  -6.609741      26.66406  
1 1 1 0   30  10 f 628.990 11.923  214899.80  8122.90  223683.50  9949.18  197339.80  14067.32 641.288 14.324  600.680 21.622  40.60852       25.93632  
1 1 1 0   30  11 o 276.733 5.6848  41507.39   1703.90  43201.60   2952.25  40661.16   2086.48  282.102 9.6622  273.837 7.0348  8.264984       11.95185  
1 1 1 0   30  12 o 391.878 6.6193  83279.34   2809.53  87208.98   5620.13  81970.12   3243.96  400.240 12.965  388.691 7.7055  11.54907       15.08156  
1 1 1 0   30  13 o 204.850 4.5472  22743.39   1008.90  24297.65   1747.43  21966.21   1235.65  211.581 7.6252  201.275 5.6681  10.30650       9.501108  
1 1 1 0   30  14 o 359.906 7.0831  70314.13   2761.12  73664.12   4782.85  68639.59   3381.51  367.569 12.014  355.370 8.7854  12.19907       14.88331  
1 1 1 0   30  15 o 186.931 3.8691  18939.00   783.352  21664.21   1488.40  17894.92   921.269  199.751 6.8796  181.670 4.6820  18.08054       8.321643  
1 1 1 0   30  16 o 229.831 4.2848  28639.54   1066.61  29466.32   2130.93  28363.16   1232.06  232.732 8.4536  228.673 4.9745  4.059250       9.808610  
1 1 1 0   30  17 o 230.573 4.2958  28829.57   1072.82  30152.96   2145.74  28388.49   1238.77  235.360 8.4173  228.748 4.9999  6.611786       9.790300  
1 1 1 0   30  18 o 284.262 5.0657  43850.25   1559.64  45377.48   3119.00  43341.05   1800.98  288.314 9.9880  282.505 5.8859  5.809418       11.59328  
1 1 1 0   30  19 o 41.344  4.3123  937.250    190.258  1032.12    372.065  903.660    221.393  42.801  8.3255  40.474  5.1682  2.326977       9.799245  
1 1 1 0   30  20 o 213.798 4.1392  24798.88   958.488  25996.98   1905.60  24393.10   1108.98  218.353 8.0575  211.973 4.8303  6.380707       9.394447  
1 1 1 0   30  21 o 166.974 5.3664  15153.09   970.509  15754.73   1259.09  14272.36   1523.39  170.066 6.8355  161.339 8.7504  8.727936       11.10376  
1 1 1 0   30  22 o 145.191 4.6915  11456.59   737.776  11474.61   1042.77  11438.52   1043.98  145.049 6.6375  144.818 6.6558  0.2310944      9.399741  
1 1 1 0   30  23 o 112.367 4.2227  6864.79    513.922  6871.54    749.724  6858.82    705.850  111.999 6.2046  111.968 5.8406  0.3152466E-01  8.521122  
1 1 1 0   30  24 o 190.110 3.9811  19668.65   819.753  18296.14   1978.38  19953.14   900.714  180.690 10.150  191.391 4.3451  -10.70036      11.04093  
1 1 1 0   30  25 o 42.380  5.4429  1000.42    244.069  1441.45    466.741  834.434    286.338  50.068  8.9346  38.250  7.1751  11.81754       11.45903  
1 1 1 0   30  26 o 84.601  3.3910  3899.82    310.723  3732.45    620.251  3955.90    359.022  81.653  7.0836  85.125  3.8940  -3.472183      8.083326  
1 1 1 0   30  27 o 90.379  2.9502  4449.56    288.800  5118.29    654.994  4288.18    321.766  95.731  6.3531  88.650  3.3511  7.080643       7.182794  
1 1 1 0   30  28 o 30.190  2.0255  497.434    65.846   731.810    458.970  492.509    66.534   34.917  10.924  30.035  2.0576  4.881891       11.11640  
1 1 1 0   30  29 o 57.722  1.9713  1811.55    123.243  2216.60    182.714  1473.43    166.938  63.748  2.6463  51.840  2.9858  11.90783       3.989693  
1 1 1 0   30  30 o 42.692  1.8728  991.419    86.601   99.725     487.060  1020.53    88.003   24.181  10.375  43.314  1.8758  -19.13263      10.54274  
1 1 1 0   30  31 o 3.9821  1.9324  -44.5582   26.080   -251.9188  446.683  -43.8489   26.124   19.328  8.9595  4.0057  1.9416  15.32261       9.167433  
1 1 1 0   30  32 o 30.884  1.3661  518.646    45.697   -128.2798  479.706  524.571    45.906   20.581  9.4477  31.060  1.3646  -10.47914      9.545706  
1 1 1 0   30  33 o 21.940  9.4662  175.705    409.909  0.0000     0.0000   175.705    409.909  ?       ?       21.940  9.4662  0.000000       9.466222  
1 1 1 0   30  34 o 16.490  7.9794  -420.0304  436.557  0.0000     0.0000   -420.0304  436.557  ?       ?       16.490  7.9794  0.000000       7.979439  
1 1 1 0   30  35 o 29.811  10.747  772.616    443.792  0.0000     0.0000   772.616    443.792  ?       ?       29.811  10.747  0.000000       10.74703  
1 1 1 0   30  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   31  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   31  2  o 196.325 3.7673  20877.49   801.073  21822.38   1133.35  19934.12   1132.43  200.700 5.2137  191.817 5.4507  8.882980       7.542728  
1 1 1 0   31  3  o 355.479 6.0861  68468.95   2343.27  67817.73   3313.97  69120.09   3313.79  353.691 8.6508  357.074 8.5683  -3.383545      12.17588  
1 1 1 0   31  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   31  5  o 132.518 2.9765  9511.52    427.224  8966.69    604.136  10056.52   604.235  128.658 4.3354  136.254 4.0944  -7.596588      5.963168  
1 1 1 0   31  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   31  7  o 508.555 9.8009  140277.59  5398.52  140784.09  6611.86  139264.80  9350.37  509.277 11.987  505.922 17.064  3.355194       20.85313  
1 1 1 0   31  8  o 166.086 3.3407  14941.33   600.951  15677.83   852.427  14213.60   847.341  170.115 4.6264  161.973 4.8300  8.141312       6.688228  
1 1 1 0   31  9  o 305.535 6.1068  50591.27   2020.90  51133.72   3502.38  50320.52   2474.36  306.951 10.535  304.661 7.4985  2.290161       12.93090  
1 1 1 0   31  10 o 353.754 7.0104  67846.09   2686.06  68803.70   3290.52  65933.59   4650.21  356.147 8.5303  348.328 12.326  7.818359       14.98966  
1 1 1 0   31  11 o 557.677 9.2380  168818.80  5579.97  175795.00  7892.05  161845.41  7890.50  568.468 12.818  545.342 13.359  23.12604       18.51355  
1 1 1 0   31  12 o 363.620 6.2019  71694.77   2442.56  78500.37   4886.91  69428.46   2820.07  379.845 11.878  357.741 7.2782  22.10364       13.93082  
1 1 1 0   31  13 o 305.416 6.1986  50594.10   2050.48  52055.52   3551.25  49863.21   2511.42  309.333 10.599  303.079 7.6506  6.254578       13.07211  
1 1 1 0   31  14 o 167.664 3.9813  15235.59   722.997  15793.89   1253.77  14957.45   884.957  170.583 6.7860  166.093 4.9193  4.489609       8.381467  
1 1 1 0   31  15 o 84.385  2.6575  3857.85    242.888  3644.71    522.909  3916.49    274.271  81.741  5.9471  85.020  2.9785  -3.279137      6.651253  
1 1 1 0   31  16 o 116.850 3.0080  7398.69    380.696  7380.08    756.627  7405.00    440.518  116.445 6.0198  116.888 3.4796  -0.4433289     6.953042  
1 1 1 0   31  17 o 70.274  2.9696  2676.12    226.030  2792.38    455.401  2638.11    260.363  71.470  5.9367  69.765  3.4457  1.705086       6.864221  
1 1 1 0   31  18 o 215.960 4.2774  25295.07   1000.52  22916.18   2540.12  25731.93   1088.52  204.286 11.527  217.790 4.6145  -13.50372      12.41646  
1 1 1 0   31  19 o 135.694 3.3508  9981.76    492.466  11034.56   1044.68  9680.96    558.404  142.444 6.7712  133.611 3.8587  8.833298       7.793499  
1 1 1 0   31  20 f 390.206 6.6672  82856.04   2817.81  84770.12   5632.44  82217.05   3254.33  391.905 13.269  388.375 7.7364  3.529755       15.35984  
1 1 1 0   31  21 o 198.106 6.2076  21360.55   1331.97  21397.72   1676.59  21296.96   2193.16  197.988 7.8184  196.683 10.331  1.305466       12.95626  
1 1 1 0   31  22 o 163.115 5.3930  14479.27   952.784  14546.99   1491.05  14432.54   1238.66  162.698 8.4908  162.574 7.0344  0.1239319      11.02619  
1 1 1 0   31  23 o 154.992 3.4697  13046.00   582.466  13532.35   1136.19  12872.61   678.390  157.262 6.6705  153.878 4.0704  3.384232       7.814308  
1 1 1 0   31  24 o 36.222  5.2532  731.410    200.083  373.726    362.057  888.672    240.072  27.514  9.7295  39.906  5.7178  -12.39184      11.28524  
1 1 1 0   31  25 o 93.784  3.0275  4782.31    307.524  5033.48    494.988  4624.42    392.454  95.932  4.7639  92.096  3.9344  3.836273       6.178517  
1 1 1 0   31  26 o 43.788  2.3524  1044.47    111.158  1438.63    471.796  1021.31    114.377  49.753  9.0902  43.288  2.4496  6.465050       9.414458  
1 1 1 0   31  27 o 20.275  7.3766  194.126    209.777  73.176     433.626  231.083    239.693  23.446  9.9139  21.844  7.8946  1.602352       12.67322  
1 1 1 0   31  28 o 58.403  4.1400  1882.53    260.187  1885.33    515.783  1881.58    301.338  56.728  8.6698  58.195  4.8243  -1.466373      9.921666  
1 1 1 0   31  29 o 59.887  2.3195  1953.26    150.452  2133.28    179.111  1521.82    277.277  62.534  2.6445  52.120  4.9721  10.41360       5.631574  
1 1 1 0   31  30 o 37.567  6.1443  818.829    241.359  1615.93    486.019  557.904    278.070  51.445  9.0530  30.269  8.2541  21.17590       12.25102  
1 1 1 0   31  31 f 45.285  5.2017  1170.79    250.503  958.288    500.177  1241.94    289.416  37.727  11.330  46.327  5.9019  -8.599850      12.77533  
1 1 1 0   31  32 o 36.643  6.6978  818.557    256.030  981.766    497.952  759.903    298.511  36.656  11.364  34.401  8.1388  2.254688       13.97801  
1 1 1 0   31  33 f 49.817  9.2681  1703.42    481.676  0.0000     0.0000   1703.42    481.676  ?       ?       49.817  9.2681  0.000000       9.268111  
1 1 1 0   31  34 o 20.219  9.1075  63.155     420.151  0.0000     0.0000   63.155     420.151  ?       ?       20.219  9.1075  0.000000       9.107540  
1 1 1 0   31  35 o 25.830  10.362  538.548    441.687  0.0000     0.0000   538.548    441.687  ?       ?       25.830  10.362  0.000000       10.36162  
1 1 1 0   32  0  o 692.548 22.867  260686.41  17152.36 260686.41  17152.36 0.0000     0.0000   692.548 22.867  ?       ?       0.000000       22.86670  
1 1 1 0   32  1  o 220.408 4.1056  26314.53   980.106  26944.09   1386.48  25685.71   1385.68  223.004 5.7403  217.732 5.8758  5.272186       8.214388  
1 1 1 0   32  2  o 115.539 2.7921  7230.12    349.402  7292.10    496.333  7169.23    491.956  116.027 3.9495  115.045 3.9481  0.9815826      5.584451  
1 1 1 0   32  3  o 525.987 10.103  150044.00  5755.50  149198.30  7049.23  151735.09  9968.25  524.309 12.413  528.190 17.424  -3.880127      21.39391  
1 1 1 0   32  4  o 663.478 12.673  238949.00  9106.72  233105.30  11153.56 250635.50  15772.88 654.904 15.724  678.034 21.478  -23.12964      26.61846  
1 1 1 0   32  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   32  6  o 426.208 7.1809  98454.19   3314.92  99962.19   4688.10  96946.31   4687.90  429.291 10.083  422.755 10.238  6.535919       14.36935  
1 1 1 0   32  7  o 326.079 6.5351  57622.73   2308.05  58585.97   2826.96  55696.98   3997.16  328.737 7.9396  320.344 11.520  8.393433       13.99128  
1 1 1 0   32  8  o 881.679 16.676  423093.31  15924.35 428596.00  19503.38 412088.41  27581.45 886.321 20.316  865.580 29.420  20.74164       35.75311  
1 1 1 0   32  9  o 478.602 9.2142  124261.80  4776.43  121141.60  8273.11  125821.80  5849.88  471.708 16.193  481.397 11.219  -9.688904      19.69993  
1 1 1 0   32  10 o 184.047 4.1222  18351.74   821.724  19285.00   1010.15  16526.06   1412.84  188.652 4.9437  174.571 7.4723  14.08131       8.959646  
1 1 1 0   32  11 o 501.361 8.3268  136400.20  4521.65  140824.41  6395.50  131978.50  6393.67  508.946 11.602  492.638 11.983  16.30804       16.67904  
1 1 1 0   32  12 o 203.983 3.8319  22545.12   846.595  24158.62   1693.98  22007.96   977.411  211.008 7.4121  201.520 4.4781  9.488327       8.659791  
1 1 1 0   32  13 o 147.392 4.5852  11775.40   731.986  12121.78   1035.67  11429.67   1034.70  149.480 6.3968  145.143 6.5819  4.337509       9.178284  
1 1 1 0   32  14 o 242.391 4.4507  31850.14   1168.45  35082.83   2336.89  30772.55   1349.21  254.057 8.4925  238.210 5.2294  15.84761       9.973411  
1 1 1 0   32  15 o 298.825 6.2410  48467.58   2019.96  51847.32   5056.12  47825.71   2203.44  307.373 15.187  296.771 6.8550  10.60223       16.66272  
1 1 1 0   32  16 o 93.393  2.8458  4726.13    287.862  5323.01    578.932  4530.09    331.784  98.897  5.4255  91.426  3.3505  7.470779       6.376650  
1 1 1 0   32  17 o 150.341 3.2793  12250.17   533.979  13213.43   1064.46  11926.27   617.263  155.971 6.3011  148.318 3.8424  7.653519       7.380248  
1 1 1 0   32  18 o 173.569 3.5578  16331.96   668.834  16508.79   1337.49  16273.00   772.338  174.234 7.0874  173.224 4.1165  1.010239       8.196142  
1 1 1 0   32  19 o 202.076 3.9250  22145.99   859.055  22967.98   1710.44  21868.70   993.439  205.371 7.6895  200.755 4.5688  4.616226       8.944433  
1 1 1 0   32  20 o 376.707 9.1771  77566.41   3744.39  73730.98   5293.86  81406.22   5296.88  365.384 13.377  384.286 12.726  -18.90118      18.46328  
1 1 1 0   32  21 o 99.976  4.3311  5426.64    468.993  5538.20    662.667  5314.68    663.847  100.690 6.1051  98.609  6.2478  2.080765       8.735455  
1 1 1 0   32  22 o 163.828 3.5431  14567.13   628.705  15446.16   1241.60  14264.02   729.086  168.198 6.8154  162.047 4.1540  6.150726       7.981558  
1 1 1 0   32  23 o 113.398 3.1795  6981.10    390.505  6708.18    756.555  7080.21    455.936  110.576 6.3435  114.151 3.6877  -3.575584      7.337548  
1 1 1 0   32  24 o 74.639  3.4872  3029.51    281.910  2475.57    572.277  3207.01    323.942  66.407  8.1260  76.655  3.9148  -10.24770      9.019823  
1 1 1 0   32  25 o 124.639 3.2265  8452.47    435.566  7296.52    858.513  8853.15    505.450  114.635 6.9473  127.473 3.6609  -12.83798      7.852832  
1 1 1 0   32  26 o 73.922  2.8569  2972.78    228.739  2669.10    313.429  3318.83    334.577  69.746  4.1681  77.841  3.9817  -8.095314      5.764319  
1 1 1 0   32  27 o 25.615  1.0574  355.599    29.335   360.667    29.478   -164.7105  298.683  25.797  1.0550  16.599  7.5570  9.197655       7.630258  
1 1 1 0   32  28 o 17.691  2.0236  172.289    38.077   169.214    38.486   314.652    261.880  17.524  2.0675  24.173  8.2925  -6.648573      8.546317  
1 1 1 0   32  29 o 97.938  3.1449  5249.29    333.598  5551.17    537.672  5060.33    425.374  99.937  4.9673  95.810  4.0991  4.127525       6.440252  
1 1 1 0   32  30 o 68.782  3.9833  2622.99    295.480  1544.08    573.370  3013.14    344.790  48.903  11.081  73.576  4.3459  -24.67310      11.90320  
1 1 1 0   32  31 o 42.629  5.6561  1050.01    254.705  290.637    495.997  1321.97    296.832  26.270  10.815  47.801  5.8557  -21.53146      12.29829  
1 1 1 0   32  32 o 41.695  6.0626  1038.34    265.766  612.321    508.871  1198.12    311.647  29.828  11.362  44.412  6.6861  -14.58401      13.18334  
1 1 1 0   32  33 o 58.727  2.8479  1912.90    181.145  0.0000     0.0000   1912.90    181.145  ?       ?       58.727  2.8479  0.000000       2.847872  
1 1 1 0   32  34 o 17.512  8.2784  -208.3526  414.032  0.0000     0.0000   -208.3526  414.032  ?       ?       17.512  8.2784  0.000000       8.278433  
1 1 1 0   32  35 o 20.384  9.1976  124.279    430.634  0.0000     0.0000   124.279    430.634  ?       ?       20.384  9.1976  0.000000       9.197615  
1 1 1 0   33  1  o 618.631 11.753  207657.30  7874.75  212402.59  9644.85  198168.50  13638.65 625.375 14.239  603.070 20.880  22.30487       25.27319  
1 1 1 0   33  2  o 609.365 11.628  201478.59  7674.67  203789.50  9399.81  196857.59  13292.08 612.565 14.168  601.137 20.415  11.42816       24.84941  
1 1 1 0   33  3  f 582.153 11.119  183861.59  7010.87  186211.59  8586.82  179162.59  12142.37 585.609 13.538  573.596 19.545  12.01312       23.77538  
1 1 1 0   33  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   33  5  o 689.911 22.882  259842.91  17098.61 259842.91  17098.61 0.0000     0.0000   689.911 22.882  ?       ?       0.000000       22.88217  
1 1 1 0   33  6  f 539.515 10.360  157906.00  6053.84  153591.41  7414.24  166536.20  10486.04 531.844 12.871  553.177 17.502  -21.33337      21.72483  
1 1 1 0   33  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   33  8  o 593.430 11.341  191175.41  7289.70  199868.30  12626.73 186829.59  8927.80  605.394 19.257  586.266 14.060  19.12842       23.84324  
1 1 1 0   33  9  o 201.968 5.4647  22104.78   1195.41  22438.23   1695.12  21774.88   1686.04  203.421 7.6937  200.389 7.7683  3.031967       10.93337  
1 1 1 0   33  10 o 294.119 5.5374  46884.82   1764.01  44881.21   2710.60  48356.80   2323.33  287.598 8.7018  298.619 7.1833  -11.02155      11.28365  
1 1 1 0   33  11 o 152.236 3.1455  12554.74   518.652  12515.48   735.523  12593.57   731.465  151.974 4.4684  152.449 4.4300  -0.4741516     6.292179  
1 1 1 0   33  12 o 378.495 8.3839  77784.63   3436.96  83453.48   8088.47  76535.54   3796.77  389.907 19.153  375.326 9.3398  14.58124       21.30882  
1 1 1 0   33  13 o 276.421 6.9940  41470.49   2093.97  41588.84   2960.34  41351.98   2962.30  276.513 9.8845  275.720 9.9195  0.7928162      14.00359  
1 1 1 0   33  14 o 358.403 6.1347  69700.80   2381.41  75330.59   4763.05  67824.45   2749.77  371.603 11.834  353.417 7.1835  18.18646       13.84375  
1 1 1 0   33  15 o 308.081 5.7864  51503.86   1930.82  55604.84   3596.02  49842.64   2288.72  319.399 10.395  302.934 6.9755  16.46524       12.51840  
1 1 1 0   33  16 o 91.546  2.8436  4541.08    281.951  4744.33    566.723  4474.22    325.032  93.328  5.6328  90.861  3.3028  2.467384       6.529708  
1 1 1 0   33  17 o 202.870 3.9253  22314.26   862.502  23112.25   1722.24  22047.12   996.464  206.120 7.7144  201.610 4.5633  4.510132       8.963037  
1 1 1 0   33  18 o 246.367 5.2183  32946.03   1392.45  33608.61   3380.20  32810.61   1528.13  247.139 12.670  245.801 5.7399  1.337616       13.91001  
1 1 1 0   33  19 o 100.743 4.2595  5505.88    464.770  5968.29    655.711  5039.01    658.868  104.650 5.8078  96.065  6.3684  8.584862       8.619049  
1 1 1 0   33  20 o 153.428 4.8021  12781.26   797.998  12948.05   1127.55  12613.88   1129.53  154.231 6.7498  152.216 6.8512  2.014984       9.617688  
1 1 1 0   33  21 o 145.372 3.8686  11468.59   609.122  10086.97   1132.35  12031.18   722.572  135.695 7.7366  148.842 4.4821  -13.14667      8.941175  
1 1 1 0   33  22 o 108.921 3.0338  6435.76    357.903  6306.46    720.054  6478.18    412.462  107.353 6.2193  109.249 3.4857  -1.896156      7.129552  
1 1 1 0   33  23 o 83.139  2.8032  3750.85    252.425  3348.18    382.796  4060.66    335.773  78.293  4.5335  86.449  3.5860  -8.155792      5.780351  
1 1 1 0   33  24 o 25.421  6.3949  368.767    175.918  728.904    436.177  298.805    192.247  35.659  10.552  23.206  7.0369  12.45281       12.68288  
1 1 1 0   33  25 f 105.640 3.3494  6075.22    383.236  7392.38    746.524  5603.88    446.572  115.727 5.9762  101.334 4.0688  14.39398       7.229779  
1 1 1 0   33  26 o 36.931  1.4471  739.520    57.886   759.923    83.417   720.569    80.394   37.357  2.0697  36.376  2.0489  0.9811592      2.912325  
1 1 1 0   33  27 o 17.331  1.9712  165.206    36.343   162.656    36.717   288.513    255.326  17.190  2.0101  23.536  8.1815  -6.346567      8.424819  
1 1 1 0   33  28 o 74.213  2.7994  3003.19    225.021  2754.74    315.413  3260.71    321.120  70.676  4.1384  77.096  3.8456  -6.420258      5.649356  
1 1 1 0   33  29 o 57.792  2.0338  1816.89    127.308  1808.40    190.355  1823.76    171.238  57.413  3.0723  57.797  2.7354  -0.3838120     4.113580  
1 1 1 0   33  30 f 24.783  1.4227  334.600    38.029   200.460    455.240  335.543    38.162   24.845  10.307  24.818  1.4257  0.2715874E-01  10.40470  
1 1 1 0   33  31 o 35.053  1.8794  671.221    71.095   888.178    477.235  666.296    71.897   36.284  11.105  34.919  1.9082  1.365013       11.26766  
1 1 1 0   33  32 o 14.965  6.7557  -66.9149   232.680  -36.6991   454.322  -77.6583   270.906  20.701  9.3839  15.994  7.2487  4.706413       11.85753  
1 1 1 0   33  33 o 33.080  10.492  828.333    422.023  0.0000     0.0000   828.333    422.023  ?       ?       33.080  10.492  0.000000       10.49236  
1 1 1 0   33  34 o 56.447  7.8938  2128.90    469.413  0.0000     0.0000   2128.90    469.413  ?       ?       56.447  7.8938  0.000000       7.893812  
1 1 1 0   33  35 o 22.032  9.7374  256.568    456.974  0.0000     0.0000   256.568    456.974  ?       ?       22.032  9.7374  0.000000       9.737450  
1 1 1 0   34  0  o 737.320 24.315  295657.19  19417.49 295657.19  19417.49 0.0000     0.0000   737.320 24.315  ?       ?       0.000000       24.31458  
1 1 1 0   34  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   34  2  o 726.938 16.917  287367.81  13319.41 299110.91  18836.94 275625.81  18836.03 740.218 23.495  710.322 24.483  29.89630       33.93292  
1 1 1 0   34  3  o 570.717 9.4581  176627.09  5846.49  179453.09  8268.39  173801.50  8267.97  574.895 13.279  565.746 13.493  9.149048       18.93118  
1 1 1 0   34  4  o 660.779 12.512  237021.30  8954.46  246403.00  10967.42 218262.80  15508.18 673.374 15.038  632.384 22.642  40.98981       27.18044  
1 1 1 0   34  5  o 626.668 10.380  213036.50  7045.11  208298.91  9963.28  217774.20  9963.30  619.109 14.858  633.082 14.530  -13.97284      20.78202  
1 1 1 0   34  6  o 418.423 7.0440  94892.23   3192.30  94003.61   4514.56  95780.88   4514.64  416.283 10.013  420.206 9.9195  -3.923279      14.09444  
1 1 1 0   34  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   34  8  o 340.632 6.8069  62894.46   2511.33  66665.65   4350.24  61009.50   3075.57  350.400 11.463  335.405 8.4662  14.99496       14.25009  
1 1 1 0   34  9  o 192.807 4.3366  20140.88   905.619  20085.73   1110.04  20250.65   1566.09  192.522 5.3234  193.249 7.4822  -0.7266083     9.182680  
1 1 1 0   34  10 o 194.897 3.7633  20578.88   794.415  20221.86   1123.21  20936.23   1123.73  193.160 5.3688  196.545 5.2788  -3.384842      7.529193  
1 1 1 0   34  11 o 299.408 5.6871  48598.83   1844.29  47947.08   2835.71  49076.61   2427.94  297.174 8.8101  300.763 7.4532  -3.588135      11.53984  
1 1 1 0   34  12 o 474.543 9.1374  122354.30  4696.44  126710.30  8134.84  120176.70  5751.81  481.405 15.602  469.893 11.301  11.51266       19.26479  
1 1 1 0   34  13 o 390.314 7.6814  82732.87   3247.34  91908.41   5624.87  78145.85   3977.05  410.413 12.654  379.029 9.6877  31.38422       15.93642  
1 1 1 0   34  14 o 186.191 3.6772  18787.80   741.552  20007.87   1485.67  18382.99   855.778  191.948 7.1461  184.150 4.2906  7.797302       8.335254  
1 1 1 0   34  15 o 264.362 5.2299  37911.83   1497.47  40441.49   2795.92  36894.27   1773.26  272.512 9.4726  260.692 6.2802  11.82004       11.36533  
1 1 1 0   34  16 o 88.334  2.9004  4228.20    277.495  4741.92    551.412  4053.97    321.121  93.316  5.4797  86.485  3.4281  6.831100       6.463695  
1 1 1 0   34  17 o 171.475 3.7481  15940.85   696.110  17195.28   1320.84  15458.44   819.095  177.868 6.8562  168.821 4.4796  9.046799       8.189885  
1 1 1 0   34  18 o 88.965  3.6160  4291.01    348.428  4518.85    568.034  4153.58    441.173  91.034  5.7912  87.371  4.6790  3.662720       7.445148  
1 1 1 0   34  19 o 56.291  2.4534  1717.05    149.581  1068.35    408.350  1817.58    160.754  43.457  8.9730  57.914  2.5628  -14.45749      9.331754  
1 1 1 0   34  20 o 213.881 5.7948  24869.57   1342.39  23697.40   1896.23  26047.16   1900.62  208.336 8.4035  218.497 8.0312  -10.16154      11.62403  
1 1 1 0   34  21 o 198.343 3.9070  21351.96   839.333  21553.32   1673.60  21284.30   970.161  198.623 7.7795  197.953 4.5249  0.6700897      8.999727  
1 1 1 0   34  22 o 162.872 3.5112  14400.32   619.400  13343.95   1221.20  14766.21   718.707  156.182 7.2191  164.866 4.0249  -8.683670      8.265322  
1 1 1 0   34  23 o 87.207  2.8992  4127.90    273.839  4862.60    430.719  3629.47    354.770  94.532  4.2067  81.689  4.0097  12.84364       5.811566  
1 1 1 0   34  24 o 97.704  3.1951  5189.40    338.113  5455.83    689.433  5105.02    387.974  99.409  6.4378  96.845  3.6988  2.564056       7.424692  
1 1 1 0   34  25 o 64.043  3.7717  2243.96    260.466  2601.29    525.261  2127.44    299.941  68.101  7.2318  62.221  4.4807  5.880859       8.507389  
1 1 1 0   34  26 o 31.961  6.7814  588.502    227.487  662.513    439.345  561.390    265.908  33.856  10.702  31.044  7.8912  2.811609       13.29682  
1 1 1 0   34  27 o 46.989  1.8107  1198.57    92.155   1016.91    135.009  1357.05    126.100  43.105  2.9088  49.960  2.3304  -6.855267      3.727178  
1 1 1 0   34  28 o 23.607  1.2968  303.168    33.030   306.931    33.298   72.375     260.777  23.753  1.2992  18.828  7.8047  4.925632       7.912081  
1 1 1 0   34  29 o 53.811  2.2289  1576.78    129.908  1665.79    144.164  1192.34    299.612  55.284  2.4076  45.587  6.2312  9.696735       6.680119  
1 1 1 0   34  30 o 37.085  1.9069  750.351    76.336   432.745    477.472  758.682    77.331   28.631  10.982  37.289  1.9212  -8.658297      11.14895  
1 1 1 0   34  31 o 33.282  6.8376  667.487    238.239  542.089    477.629  709.018    274.875  29.727  11.076  33.933  7.6604  -4.206139      13.46681  
1 1 1 0   34  32 o 26.239  8.4701  449.945    274.099  0.0000     0.0000   449.945    274.099  ?       ?       26.239  8.4701  0.000000       8.470052  
1 1 1 0   34  33 o 34.487  10.432  899.784    422.867  0.0000     0.0000   899.784    422.867  ?       ?       34.487  10.432  0.000000       10.43168  
1 1 1 0   34  34 o 24.991  10.343  435.219    456.945  0.0000     0.0000   435.219    456.945  ?       ?       24.991  10.343  0.000000       10.34312  
1 1 1 0   34  35 o 28.617  10.967  738.456    475.896  0.0000     0.0000   738.456    475.896  ?       ?       28.617  10.967  0.000000       10.96706  
1 1 1 0   35  1  o 893.335 29.578  437758.50  28619.28 437758.50  28619.28 0.0000     0.0000   893.335 29.578  ?       ?       0.000000       29.57835  
1 1 1 0   35  2  o 236.271 4.3376  30240.19   1110.02  28740.44   1569.60  31740.73   1570.01  230.302 6.2924  242.032 5.9891  -11.72931      8.687004  
1 1 1 0   35  3  o 243.181 4.4321  32035.23   1167.37  32106.63   1651.19  31963.87   1650.63  243.415 6.2629  242.873 6.2748  0.5420532      8.865513  
1 1 1 0   35  4  o 556.758 9.2573  168094.91  5582.40  162323.70  7894.75  173865.91  7894.66  546.724 13.332  565.880 12.881  -19.15613      18.53801  
1 1 1 0   35  5  o 369.468 6.3073  73973.72   2524.00  72853.05   3569.61  75094.23   3569.36  366.536 8.9915  372.138 8.8555  -5.602570      12.62016  
1 1 1 0   35  6  o 556.353 9.2402  167874.30  5568.02  166204.30  7874.47  169544.30  7874.26  553.160 13.143  558.707 13.012  -5.546875      18.49499  
1 1 1 0   35  7  f 516.402 8.6258  144618.50  4824.55  143101.80  6823.50  146134.70  6822.39  513.319 12.273  518.745 12.143  -5.426636      17.26467  
1 1 1 0   35  8  o 212.848 4.5809  24545.71   1056.06  24423.60   1829.21  24606.75   1293.39  212.223 7.9579  213.089 5.6040  -0.8666992     9.733115  
1 1 1 0   35  9  o 74.036  3.0255  2969.12    242.613  3213.11    304.023  2541.29    402.582  77.014  3.6447  68.256  5.4920  8.757591       6.591377  
1 1 1 0   35  10 o 160.062 3.2705  13878.78   566.981  14018.25   803.962  13740.77   799.719  160.839 4.6150  159.239 4.6368  1.600281       6.542051  
1 1 1 0   35  11 o 411.814 6.9360  91996.02   3093.70  91271.92   4376.31  92719.35   4374.00  409.840 9.8588  413.089 9.7761  -3.248566      13.88406  
1 1 1 0   35  12 o 521.289 10.034  147781.50  5665.27  148136.59  9812.17  147603.91  6938.64  519.722 17.431  520.425 12.310  -0.7027588     21.33938  
1 1 1 0   35  13 o 421.773 8.2000  96656.78   3745.97  103217.40  6489.02  93377.74   4587.56  434.545 13.787  414.178 10.226  20.36716       17.16582  
1 1 1 0   35  14 o 237.108 4.3627  30478.45   1120.41  35450.97   2241.50  28822.29   1293.61  255.389 8.1034  230.526 5.1810  24.86316       9.618072  
1 1 1 0   35  15 o 209.735 3.9809  23846.31   904.329  24077.87   1810.96  23769.38   1043.79  210.433 7.9456  209.361 4.6031  1.072617       9.182611  
1 1 1 0   35  16 o 143.243 3.2450  11120.19   503.452  12060.33   999.434  10800.51   582.796  149.028 6.1918  141.149 3.8121  7.878860       7.271235  
1 1 1 0   35  17 o 66.702  2.4633  2410.64    177.966  2337.40    438.805  2425.05    194.697  65.297  6.2821  66.899  2.6870  -1.601715      6.832598  
1 1 1 0   35  18 o 22.067  7.7112  234.807    226.955  333.495    315.425  128.870    326.804  26.151  9.0934  22.266  8.9195  3.884958       12.73760  
1 1 1 0   35  19 o 133.139 4.4975  9619.41    648.549  9006.73    914.208  10240.14   920.196  128.510 6.5902  137.240 6.1905  -8.730194      9.041782  
1 1 1 0   35  20 f 99.709  2.9047  5389.51    313.694  5394.52    647.849  5387.97    358.527  99.406  6.0459  99.679  3.3208  -0.2730179     6.897854  
1 1 1 0   35  21 o 48.371  3.9210  1278.35    203.655  763.937    401.755  1456.24    236.260  36.670  9.8890  51.609  4.2648  -14.93978      10.76949  
1 1 1 0   35  22 o 35.631  2.1360  690.662    82.051   655.050    87.081   972.496    244.974  34.681  2.3318  41.887  5.5353  -7.206001      6.006351  
1 1 1 0   35  23 o 167.597 3.6969  15270.69   671.083  16042.00   1269.97  14971.87   790.457  170.971 6.8581  165.815 4.4013  5.155838       8.148911  
1 1 1 0   35  24 o 91.943  3.3095  4597.57    329.569  3966.65    650.666  4815.29    382.226  84.450  7.1817  94.037  3.7528  -9.586807      8.103114  
1 1 1 0   35  25 o 44.973  4.9085  1121.04    235.212  1637.79    467.030  945.425    272.262  53.515  8.3282  40.924  6.3481  12.59164       10.47177  
1 1 1 0   35  26 o 94.574  2.9557  4869.58    302.759  4670.88    672.826  4920.03    339.021  91.337  6.8511  95.002  3.2948  -3.664169      7.602169  
1 1 1 0   35  27 o 60.901  2.6384  2018.96    174.034  2022.25    210.499  2011.85    309.369  60.792  3.2083  60.261  4.7791  0.5316391      5.756136  
1 1 1 0   35  28 o 110.984 3.1693  6732.28    380.977  6822.82    690.123  6692.60    456.907  110.411 5.7911  110.427 3.8202  -0.1533508E-01 6.937610  
1 1 1 0   35  29 o 70.466  2.9127  2714.97    222.306  2426.77    291.370  3116.45    343.893  66.198  4.0837  74.980  4.2520  -8.781929      5.895459  
1 1 1 0   35  30 o 40.133  5.8456  928.412    246.635  845.362    485.214  957.344    286.392  36.082  11.223  40.359  6.7928  -4.277458      13.11870  
1 1 1 0   35  31 o 37.113  6.3855  818.333    247.422  630.470    486.052  884.040    287.453  31.133  11.243  38.165  7.2184  -7.031788      13.36118  
1 1 1 0   35  32 o 16.467  7.3631  -32.5698   269.148  0.0000     0.0000   -32.5698   269.148  ?       ?       16.467  7.3631  0.000000       7.363124  
1 1 1 0   35  33 o 25.841  2.2120  369.666    61.313   0.0000     0.0000   369.666    61.313   ?       ?       25.841  2.2120  0.000000       2.211964  
1 1 1 0   35  34 f 58.176  8.2039  2302.21    502.579  0.0000     0.0000   2302.21    502.579  ?       ?       58.176  8.2039  0.000000       8.203882  
1 1 1 0   35  35 o 74.498  6.5178  3556.31    520.620  0.0000     0.0000   3556.31    520.620  ?       ?       74.498  6.5178  0.000000       6.517768  
1 1 1 0   36  0  o 157.773 4.6030  13482.59   786.588  14711.42   1114.41  12262.56   1110.41  164.795 6.2435  150.451 6.8143  14.34392       9.242074  
1 1 1 0   36  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   36  2  o 262.039 4.6946  37198.02   1332.41  39593.41   1884.73  34804.77   1883.89  270.305 6.4376  253.421 6.8634  16.88364       9.410096  
1 1 1 0   36  3  o 559.966 9.2645  170038.09  5618.94  174718.70  7946.77  165358.50  7946.00  567.259 12.934  551.814 13.295  15.44476       18.54852  
1 1 1 0   36  4  o 198.076 3.8146  21252.23   818.377  20498.93   1157.47  22005.25   1157.25  194.509 5.4941  201.532 5.3017  -7.023224      7.635009  
1 1 1 0   36  5  o 116.169 2.7895  7309.30    350.986  7740.14    497.340  6881.81    495.405  119.536 3.8413  112.712 4.0581  6.824234       5.587834  
1 1 1 0   36  6  o 353.018 6.0467  67534.07   2311.98  70111.78   3270.16  64958.02   3269.10  359.582 8.3966  346.096 8.7209  13.48566       12.10604  
1 1 1 0   36  7  o 520.629 8.6118  147008.41  4856.15  153053.00  6868.26  140966.00  6867.00  530.861 11.945  509.406 12.446  21.45490       17.25091  
1 1 1 0   36  8  o 381.708 9.2096  79059.15   3807.52  80668.80   5385.38  77450.38   5383.90  385.212 12.908  377.420 13.170  7.792267       18.44094  
1 1 1 0   36  9  o 355.887 7.0655  68682.49   2723.51  69230.01   3335.92  67588.09   4716.34  357.186 8.6229  352.556 12.351  4.629913       15.06334  
1 1 1 0   36  10 o 62.059  2.7497  2086.19    184.825  1919.25    259.826  2257.20    262.967  59.377  4.0646  64.435  3.7846  -5.057568      5.553744  
1 1 1 0   36  11 o 365.827 6.2169  72579.91   2463.30  74690.46   3484.94  70472.52   3482.33  370.856 8.6760  360.203 8.9259  10.65308       12.44769  
1 1 1 0   36  12 o 126.518 3.5439  8673.33    485.625  8354.00    884.921  8810.94    580.914  123.906 6.6178  127.503 4.2065  -3.597450      7.841588  
1 1 1 0   36  13 o 430.525 8.4050  100738.10  3919.26  115054.20  6788.45  93580.31   4800.07  458.754 13.662  414.489 10.692  44.26434       17.34871  
1 1 1 0   36  14 o 417.527 7.0474  94678.09   3187.00  103592.20  6374.67  91707.56   3679.90  435.080 13.528  410.704 8.2725  24.37552       15.85651  
1 1 1 0   36  15 o 310.450 5.4566  52295.86   1834.79  56405.14   3668.57  50925.09   2118.83  321.566 10.533  306.244 6.3879  15.32211       12.31877  
1 1 1 0   36  16 f 159.790 3.4005  13838.97   588.527  15858.51   1177.69  13166.77   679.449  170.873 6.3634  155.835 4.0255  15.03819       7.529787  
1 1 1 0   36  17 o 40.529  5.8142  910.048    247.915  1078.29    347.983  736.636    353.287  43.901  7.5931  36.065  9.0569  7.836761       11.81876  
1 1 1 0   36  18 o 31.812  7.2418  572.549    243.924  751.912    340.451  383.357    349.655  36.414  8.7425  27.813  9.5796  8.601538       12.96922  
1 1 1 0   36  19 o 230.945 4.3208  28940.95   1080.80  29454.40   2159.60  28769.38   1248.39  232.312 8.5828  230.182 5.0074  2.130646       9.936728  
1 1 1 0   36  20 o 209.752 4.0329  23874.93   916.206  23629.55   1825.23  23957.58   1059.34  208.026 8.1008  210.043 4.6565  -2.017258      9.343789  
1 1 1 0   36  21 o 158.222 3.5307  13584.41   605.061  13226.46   1137.95  13725.50   714.421  155.711 6.7473  158.981 4.1490  -3.269531      7.920878  
1 1 1 0   36  22 o 191.487 3.7956  19920.04   787.206  18849.60   1561.05  20285.08   911.604  185.340 7.7764  193.137 4.3578  -7.797058      8.914186  
1 1 1 0   36  23 o 68.368  3.2799  2539.55    242.876  1808.70    464.482  2814.58    284.934  56.784  7.7549  71.853  3.6735  -15.06911      8.580997  
1 1 1 0   36  24 o 122.627 3.2434  8178.37    430.778  8743.92    850.565  7983.26    499.590  126.075 6.2289  121.057 3.8103  5.017876       7.301831  
1 1 1 0   36  25 o 135.749 3.3619  10036.79   494.299  10270.09   982.707  9957.77    571.914  136.188 6.6621  135.079 3.9091  1.109543       7.724319  
1 1 1 0   36  26 o 90.627  3.3411  4479.31    327.954  4228.04    646.703  4566.30    380.511  86.797  6.9371  91.399  3.8437  -4.602783      7.930776  
1 1 1 0   36  27 o 16.761  6.9224  54.306     204.062  215.982    415.697  2.9764     234.226  25.059  10.052  16.808  7.2024  8.250586       12.36608  
1 1 1 0   36  28 o 22.462  1.1639  274.321    28.219   279.057    28.385   -126.8337  261.236  22.656  1.1606  15.687  7.1130  6.969000       7.207047  
1 1 1 0   36  29 o 61.784  2.5121  2082.50    168.108  2217.26    202.935  1787.79    300.105  63.665  2.9430  56.454  4.9583  7.211689       5.765911  
1 1 1 0   36  30 o 18.109  2.5413  182.571    48.471   775.094    454.549  175.756    48.749   34.687  10.875  17.747  2.6144  16.93998       11.18459  
1 1 1 0   36  31 o 46.101  2.3740  1166.32    118.136  1248.30    502.001  1161.52    121.550  42.713  10.835  45.986  2.4492  -3.273449      11.10790  
1 1 1 0   36  32 o 28.278  1.7091  438.041    52.100   0.0000     0.0000   438.041    52.100   ?       ?       28.278  1.7091  0.000000       1.709053  
1 1 1 0   36  33 o 42.456  8.9311  1244.72    397.678  0.0000     0.0000   1244.72    397.678  ?       ?       42.456  8.9311  0.000000       8.931116  
1 1 1 0   36  34 f 24.119  9.7699  398.636    396.845  0.0000     0.0000   398.636    396.845  ?       ?       24.119  9.7699  0.000000       9.769923  
1 1 1 0   36  35 o 29.573  10.450  748.649    417.630  0.0000     0.0000   748.649    417.630  ?       ?       29.573  10.450  0.000000       10.45043  
1 1 1 0   37  1  o 624.706 14.631  212051.00  9899.45  212051.00  9899.45  0.0000     0.0000   624.706 14.631  ?       ?       0.000000       14.63071  
1 1 1 0   37  2  o 323.283 5.6223  56627.10   1968.64  56211.51   2784.21  57042.61   2783.95  322.013 7.9829  324.387 7.9237  -2.374207      11.24771  
1 1 1 0   37  3  o 227.946 4.2195  28146.82   1041.76  28394.39   1473.75  27899.56   1472.78  228.913 5.9440  226.909 5.9926  2.004517       8.440563  
1 1 1 0   37  4  o 663.599 15.519  239449.70  11154.15 239449.70  11154.15 0.0000     0.0000   663.599 15.519  ?       ?       0.000000       15.51890  
1 1 1 0   37  5  o 675.979 11.142  248006.80  8157.32  246909.09  11536.34 249104.41  11536.04 673.729 15.809  676.731 15.739  -3.001770      22.30790  
1 1 1 0   37  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   37  7  o 634.668 12.132  218832.09  8339.59  225888.91  14444.50 215303.70  10213.91 642.865 20.745  629.006 14.992  13.85895       25.59534  
1 1 1 0   37  8  o 367.032 7.2607  73049.63   2886.36  72717.24   3535.69  73713.68   4997.52  366.074 8.9173  368.219 12.531  -2.144775      15.37984  
1 1 1 0   37  9  o 508.885 8.4769  140531.09  4672.27  144317.30  6608.10  136746.09  6607.06  515.191 11.842  501.439 12.165  13.75150       16.97745  
1 1 1 0   37  10 o 166.775 3.5673  15069.10   644.372  15562.90   872.395  14476.27   955.875  169.458 4.7532  163.417 5.4005  6.040878       7.194295  
1 1 1 0   37  11 o 323.337 5.9854  56697.95   2096.15  53940.64   3228.55  58707.22   2756.02  315.043 9.4617  328.860 7.7375  -13.81757      12.22261  
1 1 1 0   37  12 o 56.853  3.4751  1757.97    212.964  1873.77    358.153  1694.63    264.878  58.498  5.7261  55.739  4.4238  2.759384       7.235919  
1 1 1 0   37  13 o 261.516 6.6897  37124.30   1894.86  36907.13   2679.10  37341.68   2680.37  260.440 9.4975  261.975 9.4464  -1.535400      13.39539  
1 1 1 0   37  14 o 144.487 3.3375  11313.19   522.307  12281.30   1177.35  11075.98   582.794  150.357 7.2296  142.951 3.7641  7.405914       8.150786  
1 1 1 0   37  15 o 313.794 5.5325  53434.16   1880.33  56490.85   3758.50  52413.70   2171.64  321.723 10.786  310.668 6.4539  11.05472       12.56946  
1 1 1 0   37  16 f 280.867 7.9598  42921.46   2421.45  45126.88   2950.57  38372.10   4237.76  287.715 9.4684  263.630 14.902  24.08472       17.65584  
1 1 1 0   37  17 o 178.489 5.8662  17301.38   1134.07  18772.66   1836.87  16395.14   1441.63  185.553 9.1399  173.579 7.6681  11.97337       11.93052  
1 1 1 0   37  18 f 115.921 4.3304  7289.79    543.700  7845.70    767.427  6729.57    770.399  120.171 5.8961  111.078 6.4310  9.092941       8.724834  
1 1 1 0   37  19 o 76.613  3.1565  3182.09    261.923  3028.74    516.321  3235.22    303.933  74.338  6.4774  77.237  3.6332  -2.898384      7.426724  
1 1 1 0   37  20 o 169.849 3.5578  15649.04   654.509  16293.16   1307.67  15433.75   756.023  172.900 6.9828  168.627 4.1394  4.272995       8.117556  
1 1 1 0   37  21 o 94.040  3.0672  4796.84    312.405  4696.77    609.826  4832.44    363.763  92.637  6.1122  94.362  3.5592  -1.725105      7.072975  
1 1 1 0   37  22 o 120.541 3.1200  7886.64    407.338  7688.78    807.422  7954.19    471.775  118.441 6.3168  121.011 3.5995  -2.569580      7.270394  
1 1 1 0   37  23 o 52.773  3.6995  1522.13    210.122  1236.85    400.867  1630.21    246.734  46.640  8.2366  54.552  4.2084  -7.911903      9.249413  
1 1 1 0   37  24 o 71.034  2.6872  2740.93    206.745  2804.63    531.043  2729.55    224.454  70.910  7.0060  70.867  2.9242  0.4286194E-01  7.591799  
1 1 1 0   37  25 o 83.774  3.2898  3822.00    298.502  4305.94    597.589  3661.11    344.568  88.053  6.3077  81.902  3.8843  6.151505       7.407768  
1 1 1 0   37  26 o 80.315  3.3631  3519.09    292.552  3161.96    586.385  3637.44    337.565  74.790  7.3332  81.568  3.8209  -6.777504      8.268895  
1 1 1 0   37  27 o 68.698  3.7452  2591.14    277.612  2598.89    542.890  2588.39    323.043  67.423  7.5647  68.491  4.3776  -1.068649      8.740010  
1 1 1 0   37  28 o 39.726  1.3194  856.118    56.772   1049.30    436.784  852.799    57.258   41.343  9.8875  39.648  1.3333  1.694824       9.977019  
1 1 1 0   37  29 o 47.474  2.3525  1228.64    120.965  1209.62    133.054  1319.24    290.442  46.997  2.6244  48.144  5.6793  -1.147068      6.256312  
1 1 1 0   37  30 o 26.632  7.6319  428.069    231.473  231.407    449.173  499.180    270.099  25.026  10.296  28.574  8.2604  -3.547653      13.20001  
1 1 1 0   37  31 o 20.420  7.5662  218.842    222.286  143.825    445.679  243.682    256.461  23.066  9.9107  21.544  8.0984  1.521069       12.79866  
1 1 1 0   37  32 o 21.362  8.9021  194.071    341.838  0.0000     0.0000   194.071    341.838  ?       ?       21.362  8.9021  0.000000       8.902145  
1 1 1 0   37  33 o 20.118  8.6855  131.453    345.504  0.0000     0.0000   131.453    345.504  ?       ?       20.118  8.6855  0.000000       8.685498  
1 1 1 0   37  34 o 26.279  10.080  531.741    402.244  0.0000     0.0000   531.741    402.244  ?       ?       26.279  10.080  0.000000       10.07996  
1 1 1 0   37  35 o 31.356  2.0449  544.002    69.067   0.0000     0.0000   544.002    69.067   ?       ?       31.356  2.0449  0.000000       2.044883  
1 1 1 0   38  0  o 251.797 6.4246  34346.84   1752.13  35784.61   2479.37  32912.52   2476.41  256.974 8.9080  246.439 9.2777  10.53482       12.86196  
1 1 1 0   38  1  o 246.646 4.4834  32955.57   1197.69  34404.58   1694.31  31508.29   1693.29  251.972 6.2083  241.126 6.4836  10.84587       8.976616  
1 1 1 0   38  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   38  3  o 156.855 3.2868  13326.60   558.396  12995.25   789.207  13658.75   790.176  154.878 4.7047  158.784 4.5946  -3.905975      6.576030  
1 1 1 0   38  4  o 863.988 20.188  407166.69  18891.57 391161.00  26717.36 423170.81  26716.05 843.531 29.243  877.868 28.098  -34.33759      40.55421  
1 1 1 0   38  5  o 259.977 4.6750  36617.49   1316.39  36517.39   1862.00  36717.52   1861.31  259.568 6.6231  260.279 6.6025  -0.7109680     9.351909  
1 1 1 0   38  6  o 645.566 10.623  226222.09  7428.08  225173.80  10505.04 227270.30  10504.74 643.309 15.077  646.311 15.006  -3.002014      21.27198  
1 1 1 0   38  7  o 115.082 3.2737  7173.99    408.056  6846.54    699.692  7342.77    502.325  112.246 5.7748  116.420 3.9837  -4.174049      7.015576  
1 1 1 0   38  8  o 301.886 6.0850  49403.34   1989.65  50856.13   2437.72  46504.30   3443.58  306.223 7.3498  292.579 10.867  13.64481       13.11888  
1 1 1 0   38  9  o 302.497 5.7536  49604.80   1885.10  48384.49   2481.96  51268.51   2898.00  298.636 7.6733  307.328 8.7061  -8.692047      11.60503  
1 1 1 0   38  10 o 50.859  2.8952  1405.75    158.823  1414.55    221.564  1396.44    227.786  50.932  4.0498  50.590  4.1949  0.3420982      5.830825  
1 1 1 0   38  11 o 205.598 4.9250  22915.07   1096.72  24254.89   1753.91  22054.87   1405.35  211.370 7.6612  201.629 6.4352  9.740738       10.00524  
1 1 1 0   38  12 o 174.751 4.9881  16557.79   944.113  15777.12   1331.96  17346.06   1338.42  170.469 7.2140  178.763 6.9127  -8.293655      9.991313  
1 1 1 0   38  13 o 349.950 6.8684  66491.02   2603.35  71062.63   4510.25  64206.91   3188.05  360.942 11.537  343.643 8.5654  17.29874       14.36901  
1 1 1 0   38  14 o 215.467 4.0919  25168.24   954.951  27220.83   1906.65  24480.92   1103.31  223.769 7.8668  212.464 4.7945  11.30518       9.212728  
1 1 1 0   38  15 o 226.680 6.0040  27896.12   1474.08  27997.23   2083.48  27794.78   2085.85  226.811 8.4811  225.984 8.5219  0.8268890      12.02298  
1 1 1 0   38  16 o 250.439 6.4839  34073.86   1758.76  34230.02   2485.56  33917.26   2488.96  250.619 9.1567  249.462 9.2118  1.157074       12.98855  
1 1 1 0   38  17 o 145.396 4.6104  11468.59   726.044  11360.86   1024.31  11577.37   1029.27  144.583 6.5410  145.956 6.5108  -1.373581      9.229062  
1 1 1 0   38  18 o 309.104 5.4587  51890.20   1827.54  55520.09   3653.08  50678.46   2110.65  318.485 10.590  305.315 6.3826  13.17035       12.36480  
1 1 1 0   38  19 o 397.432 6.7983  85975.40   2926.39  90003.36   5852.46  84632.55   3379.17  403.700 13.385  393.959 7.9193  9.741028       15.55205  
1 1 1 0   38  20 o 264.535 4.7916  38016.09   1372.88  37455.24   2744.77  38203.21   1585.45  261.312 9.6979  265.049 5.5228  -3.736389      11.16018  
1 1 1 0   38  21 o 95.032  3.0622  4899.04    315.189  4915.33    618.304  4893.33    366.365  94.770  6.0553  94.949  3.5625  -0.1788483     7.025551  
1 1 1 0   38  22 o 99.229  2.8716  5343.19    308.627  5779.36    644.709  5213.52    351.522  102.717 5.8189  97.985  3.3122  4.731567       6.695568  
1 1 1 0   38  23 o 55.097  2.4281  1647.24    144.900  1577.54    174.209  1803.72    261.018  53.808  3.0012  57.386  4.2292  -3.578827      5.185902  
1 1 1 0   38  24 o 66.393  3.6807  2408.60    263.649  1646.32    514.866  2679.52    306.946  53.471  9.2233  69.972  4.0677  -16.50113      10.08041  
1 1 1 0   38  25 o 59.381  2.6305  1916.63    169.182  1805.66    205.947  2146.94    296.691  57.479  3.3222  62.488  4.4120  -5.009274      5.522956  
1 1 1 0   38  26 o 113.210 3.1654  6987.27    388.131  7128.97    793.573  6942.71    444.987  112.972 6.5131  112.726 3.6446  0.2458572      7.463521  
1 1 1 0   38  27 o 100.271 3.2613  5491.81    354.196  5041.86    709.156  5641.36    408.843  94.415  6.9843  101.497 3.7190  -7.082481      7.912774  
1 1 1 0   38  28 o 100.160 3.3886  5495.44    367.610  4849.26    707.870  5734.07    430.164  92.057  7.1557  102.127 3.8889  -10.06985      8.144134  
1 1 1 0   38  29 o 100.665 3.0753  5551.04    335.297  5345.18    567.555  5661.41    415.569  97.500  5.3954  101.364 3.7852  -3.863640      6.590789  
1 1 1 0   38  30 o 70.824  2.8198  2748.49    216.311  2756.67    281.172  2736.63    338.586  70.546  3.6927  69.915  4.4950  0.6305466      5.817324  
1 1 1 0   38  31 o 41.818  5.6355  1024.46    248.751  1361.56    486.952  905.437    289.353  44.800  10.257  38.377  7.2264  6.423031       12.54675  
1 1 1 0   38  32 o 17.967  8.2260  -92.8671   360.370  0.0000     0.0000   -92.8671   360.370  ?       ?       17.967  8.2260  0.000000       8.226013  
1 1 1 0   38  33 o 22.024  2.2029  269.340    51.843   0.0000     0.0000   269.340    51.843   ?       ?       22.024  2.2029  0.000000       2.202856  
1 1 1 0   38  34 f 20.772  9.2823  134.583    427.006  0.0000     0.0000   134.583    427.006  ?       ?       20.772  9.2823  0.000000       9.282274  
1 1 1 0   38  35 o 16.623  7.9815  -279.4302  416.970  0.0000     0.0000   -279.4302  416.970  ?       ?       16.623  7.9815  0.000000       7.981465  
1 1 1 0   39  1  o 429.902 7.2406  100176.40  3371.45  102255.00  4768.62  98098.97   4767.28  434.154 10.141  425.224 10.351  8.929840       14.49078  
1 1 1 0   39  2  o 385.521 6.5436  80548.58   2732.36  81990.34   3864.55  79107.42   3863.74  388.817 9.1766  381.910 9.3406  6.906921       13.09419  
1 1 1 0   39  3  o 941.377 31.279  488291.00  31892.67 488291.00  31892.67 0.0000     0.0000   941.377 31.279  ?       ?       0.000000       31.27932  
1 1 1 0   39  4  o 286.791 5.0583  44563.51   1571.24  44825.51   2222.85  44301.88   2221.29  287.565 7.1368  285.879 7.1739  1.685944       10.11922  
1 1 1 0   39  5  o 596.434 9.8947  193030.41  6392.00  186638.50  9039.75  199422.00  9039.55  585.854 14.246  605.666 13.780  -19.81122      19.82009  
1 1 1 0   39  6  o 315.719 6.3331  54029.87   2165.66  51944.02   3749.24  55074.30   2653.02  309.269 11.193  318.688 7.6861  -9.419159      13.57767  
1 1 1 0   39  7  o 137.847 4.3477  10295.41   649.129  10042.34   918.520  10547.92   917.494  136.108 6.2307  139.496 6.0726  -3.387558      8.700420  
1 1 1 0   39  8  o 496.583 9.5435  133891.91  5133.00  139319.00  6287.16  123043.30  8889.08  506.255 11.466  474.633 17.291  31.62186       20.74758  
1 1 1 0   39  9  o 46.342  3.0217  1168.30    150.838  1150.40    222.943  1183.42    204.840  45.849  4.5495  46.553  4.1046  -0.7039108     6.127433  
1 1 1 0   39  10 o 219.158 4.0318  26027.02   957.041  27531.99   1356.58  24535.83   1350.36  225.342 5.5582  212.713 5.8612  12.62856       8.077564  
1 1 1 0   39  11 o 240.850 5.0713  31450.86   1322.92  32848.13   2291.30  30752.18   1620.26  245.878 8.6039  238.087 6.2832  7.790726       10.65386  
1 1 1 0   39  12 o 303.716 6.1739  50050.37   2030.95  47587.40   2487.02  54980.78   3518.78  295.985 7.7578  317.796 10.223  -21.81039      12.83321  
1 1 1 0   39  13 o 278.784 5.3763  42158.37   1623.37  43224.77   2143.36  40723.52   2486.20  282.127 7.0142  273.680 8.3873  8.447235       10.93374  
1 1 1 0   39  14 o 109.766 2.9567  6528.50    351.511  6786.05    699.359  6441.44    406.602  111.672 5.8021  109.020 3.4434  2.651077       6.746982  
1 1 1 0   39  15 o 41.284  5.3157  940.041    232.165  1111.90    323.246  756.921    333.664  44.721  6.8951  36.564  8.5740  8.157207       11.00251  
1 1 1 0   39  16 o 113.109 4.1998  6937.81    514.513  6691.13    723.417  7190.33    731.920  110.835 6.0490  114.923 5.9000  -4.087631      8.449912  
1 1 1 0   39  17 o 106.054 2.9687  6095.63    341.006  5984.44    674.083  6133.88    395.322  104.794 5.9636  106.372 3.4312  -1.578407      6.880228  
1 1 1 0   39  18 o 134.728 3.2321  9840.22    471.645  10877.22   916.215  9466.35    550.135  141.472 5.9794  132.115 3.8446  9.356888       7.108693  
1 1 1 0   39  19 o 52.554  2.2664  1496.60    129.004  1865.35    420.527  1458.30    135.539  58.145  6.8063  51.875  2.4123  6.269665       7.221154  
1 1 1 0   39  20 o 233.387 4.6122  29588.47   1165.90  28637.52   2189.29  29964.93   1377.47  228.676 8.8392  234.731 5.4180  -6.055893      10.36760  
1 1 1 0   39  21 o 104.187 3.0224  5888.68    341.062  5979.44    681.253  5858.33    393.993  104.544 6.0422  103.887 3.5015  0.6570435      6.983471  
1 1 1 0   39  22 o 155.750 3.4103  13176.71   575.297  13934.91   1142.68  12919.27   665.841  159.508 6.6141  154.136 3.9884  5.371445       7.723567  
1 1 1 0   39  23 o 105.472 2.9722  6043.29    339.537  7124.67    720.974  5735.10    384.891  113.863 5.8661  102.691 3.4605  11.17167       6.810686  
1 1 1 0   39  24 o 19.168  7.2247  151.804    204.379  -88.0536   398.289  237.536    238.119  20.716  9.1265  22.130  7.8835  -1.413893      12.05992  
1 1 1 0   39  25 o 124.245 3.1866  8406.84    428.826  7791.15    870.582  8604.08    492.750  118.245 6.8266  125.591 3.6224  -7.345726      7.728177  
1 1 1 0   39  26 o 97.818  3.2116  5218.19    340.262  5213.05    683.118  5219.89    392.406  96.499  6.5751  97.721  3.7075  -1.222359      7.548299  
1 1 1 0   39  27 o 107.914 3.2985  6363.73    385.541  6539.17    761.426  6303.23    447.090  107.799 6.5525  107.226 3.8497  0.5727158      7.599729  
1 1 1 0   39  28 o 68.972  3.7762  2621.29    281.023  2782.02    548.050  2563.95    327.332  69.426  7.4024  67.977  4.4708  1.449356       8.647773  
1 1 1 0   39  29 o 39.790  2.3914  866.529    102.585  1164.99    468.572  851.503    105.135  42.958  10.219  39.428  2.4745  3.530090       10.51464  
1 1 1 0   39  30 o 32.408  1.4528  570.638    50.996   732.124    73.367   419.680    70.935   36.625  1.8555  27.615  2.3953  9.009632       3.029942  
1 1 1 0   39  31 o 33.997  6.5989  703.743    234.225  1035.96    471.134  594.675    269.948  38.181  10.870  30.449  8.0594  7.732075       13.53210  
1 1 1 0   39  32 o 29.260  9.9632  610.031    377.984  0.0000     0.0000   610.031    377.984  ?       ?       29.260  9.9632  0.000000       9.963214  
1 1 1 0   39  33 o 23.008  9.4462  304.218    377.134  0.0000     0.0000   304.218    377.134  ?       ?       23.008  9.4462  0.000000       9.446216  
1 1 1 0   39  34 o 27.810  10.306  626.854    412.478  0.0000     0.0000   626.854    412.478  ?       ?       27.810  10.306  0.000000       10.30625  
1 1 1 0   40  0  o 322.992 7.8815  56528.10   2757.22  59901.46   3900.96  53160.51   3897.62  332.408 10.835  313.126 11.492  19.28207       15.79469  
1 1 1 0   40  1  o 301.882 5.3054  49377.92   1734.70  48542.16   2453.50  50213.33   2452.97  299.238 7.5700  304.351 7.4413  -5.112640      10.61500  
1 1 1 0   40  2  o 331.288 5.7275  59471.94   2055.15  60981.93   2907.12  57963.41   2905.71  335.372 8.0033  326.956 8.2053  8.415344       11.46205  
1 1 1 0   40  3  o 480.519 8.0434  125197.30  4186.23  124894.50  5920.60  125500.10  5919.84  479.640 11.397  480.805 11.368  -1.164459      16.09685  
1 1 1 0   40  4  o 478.319 7.9905  124061.00  4139.64  125500.80  5854.69  122621.70  5853.98  480.782 11.243  475.221 11.373  5.560852       15.99244  
1 1 1 0   40  5  o 198.017 3.8217  21241.45   819.642  20913.24   1160.71  21567.91   1157.60  196.448 5.4551  199.502 5.3572  -3.053421      7.645803  
1 1 1 0   40  6  o 328.904 6.5550  58645.43   2335.12  55231.88   4042.67  60354.58   2860.59  318.821 11.707  333.581 7.9174  -14.76038      14.13303  
1 1 1 0   40  7  o 610.868 11.637  202830.30  7699.30  204734.41  9429.73  199022.09  13335.46 613.179 14.198  602.808 20.425  10.37067       24.87510  
1 1 1 0   40  8  o 259.391 4.6485  36461.88   1305.99  36616.17   1848.44  36308.08   1845.46  259.854 6.5676  258.758 6.5848  1.096405       9.300118  
1 1 1 0   40  9  o 193.973 3.7020  20385.95   777.757  20862.91   1101.83  19912.29   1098.01  196.183 5.1854  191.658 5.2894  4.525375       7.407202  
1 1 1 0   40  10 o 83.453  2.7614  3772.80    249.600  3751.77    363.908  3791.48    342.996  83.206  4.0380  83.648  3.7858  -0.4424973     5.535167  
1 1 1 0   40  11 o 238.136 5.0362  30747.21   1298.98  30249.31   2249.15  30996.40   1591.18  235.913 8.8023  239.030 6.1461  -3.117020      10.73570  
1 1 1 0   40  12 o 212.061 5.1324  24387.00   1178.82  24264.23   1331.79  24831.23   2533.36  211.486 5.8141  213.179 11.010  -1.693085      12.45044  
1 1 1 0   40  13 o 294.180 5.2269  46942.46   1665.44  46414.41   2355.67  47470.16   2354.90  292.280 7.4412  295.596 7.3553  -3.316467      10.46294  
1 1 1 0   40  14 o 309.339 7.6969  52021.88   2578.82  52775.13   3646.81  51268.47   3647.20  310.986 10.827  306.480 10.987  4.505951       15.42531  
1 1 1 0   40  15 o 33.833  1.2880  619.955    47.196   69.517     287.978  635.148    47.843   20.107  8.2547  34.245  1.2899  -14.13798      8.354850  
1 1 1 0   40  16 o 49.429  3.5566  1331.30    189.135  1187.03    358.992  1386.73    222.523  46.142  7.4359  50.402  4.1120  -4.259926      8.497094  
1 1 1 0   40  17 o 151.082 3.4549  12374.32   565.348  12964.32   1077.91  12150.44   664.005  154.442 6.4439  149.677 4.0959  4.764191       7.635447  
1 1 1 0   40  18 o 177.023 3.6371  16993.75   697.364  17690.84   1385.33  16757.15   807.081  180.277 7.0948  175.744 4.2400  4.532364       8.265253  
1 1 1 0   40  19 o 103.337 3.0378  5789.47    340.007  6304.44    673.650  5613.44    393.854  107.521 5.8061  101.732 3.5744  5.788879       6.818148  
1 1 1 0   40  20 o 287.390 5.4651  44931.48   1701.15  43296.73   4578.73  45193.28   1832.31  277.488 15.294  288.126 5.8715  -10.63831      16.38202  
1 1 1 0   40  21 o 193.757 4.2528  20405.76   892.491  20522.15   2067.80  20379.12   989.394  192.492 9.9521  193.548 4.7197  -1.056641      11.01449  
1 1 1 0   40  22 o 4.7774  2.1077  -6.7332    21.318   -5.4572    21.463   -100.1803  183.672  4.8638  2.1313  13.246  5.9890  -8.382130      6.356872  
1 1 1 0   40  23 o 43.964  4.1914  1062.98    197.165  1085.92    443.082  1057.32    220.164  43.221  9.7029  43.756  4.7203  -0.5354805     10.79014  
1 1 1 0   40  24 o 108.374 3.2169  6391.48    377.600  6150.19    747.664  6474.09    437.494  105.304 6.5884  108.986 3.7062  -3.681854      7.559319  
1 1 1 0   40  25 o 83.147  3.8092  3775.16    343.049  3650.64    593.551  3837.62    420.371  80.759  6.8504  83.536  4.6648  -2.776962      8.287795  
1 1 1 0   40  26 o 49.885  4.3382  1375.22    232.064  985.460    470.423  1500.58    266.785  40.364  10.618  52.016  4.7892  -11.65132      11.64786  
1 1 1 0   40  27 o 47.354  4.7026  1248.81    238.004  1780.44    472.434  1068.00    275.522  55.306  8.1294  43.362  6.0296  11.94339       10.12140  
1 1 1 0   40  28 o 75.141  3.6971  3101.49    300.892  2529.68    571.185  3321.11    353.991  65.670  8.2099  77.478  4.2344  -11.80807      9.237564  
1 1 1 0   40  29 o 33.538  6.5590  660.808    229.721  344.099    448.867  773.196    267.392  26.979  10.565  36.137  7.0848  -9.158344      12.72095  
1 1 1 0   40  30 o 51.105  2.5206  1428.73    139.518  1381.60    157.747  1598.03    298.975  50.087  2.9205  52.926  5.2862  -2.838573      6.039297  
1 1 1 0   40  31 o 55.742  4.3337  1765.48    259.587  1756.82    518.943  1768.37    299.790  51.194  9.7143  55.326  5.0588  -4.131401      10.95261  
1 1 1 0   40  32 o 28.400  9.5604  564.403    347.999  0.0000     0.0000   564.403    347.999  ?       ?       28.400  9.5604  0.000000       9.560401  
1 1 1 0   40  33 o 24.601  9.4388  410.774    352.760  0.0000     0.0000   410.774    352.760  ?       ?       24.601  9.4388  0.000000       9.438819  
1 1 1 0   40  34 o 20.426  2.0408  231.843    44.546   0.0000     0.0000   231.843    44.546   ?       ?       20.426  2.0408  0.000000       2.040768  
1 1 1 0   41  1  o 360.905 6.1427  70589.48   2401.17  72961.55   3396.94  68220.66   3394.60  366.794 8.5506  354.660 8.8370  12.13379       12.29656  
1 1 1 0   41  2  o 248.779 4.5105  33530.59   1215.36  33012.28   1719.39  34048.16   1718.18  246.797 6.4323  250.643 6.3291  -3.845444      9.023953  
1 1 1 0   41  3  o 519.933 8.6332  146623.30  4861.74  147076.80  6875.97  146170.00  6875.11  520.338 12.201  518.727 12.237  1.611206       17.27986  
1 1 1 0   41  4  o 688.033 11.336  257093.09  8447.66  257332.09  11947.10 256854.20  11946.48 687.376 16.047  686.734 16.061  0.6420898      22.70411  
1 1 1 0   41  5  o 280.716 4.9383  42700.20   1501.47  43691.50   2124.26  41710.52   2122.53  283.876 6.9089  277.359 7.0655  6.517456       9.881990  
1 1 1 0   41  6  o 397.781 7.8114  85827.27   3365.45  85454.84   5828.64  86013.54   4121.99  396.274 13.580  398.053 9.5608  -1.779144      16.60806  
1 1 1 0   41  7  o 397.971 7.8057  85924.54   3364.59  82372.84   4120.48  93030.78   5828.41  389.463 9.7681  413.447 13.015  -23.98355      16.27327  
1 1 1 0   41  8  o 191.497 3.7096  19868.36   769.411  20690.12   1089.05  19049.41   1087.18  195.376 5.1464  187.463 5.3545  7.913315       7.426706  
1 1 1 0   41  9  o 501.408 8.3119  136508.50  4514.01  134175.20  6383.96  138841.50  6383.59  496.430 11.873  505.034 11.670  -8.604187      16.64812  
1 1 1 0   41  10 o 393.048 7.6688  83876.73   3264.69  88685.48   3999.43  74273.94   5651.72  403.941 9.1413  368.735 14.151  35.20624       16.84706  
1 1 1 0   41  11 o 395.953 7.8012  85155.44   3345.62  86223.38   5794.14  84621.29   4097.77  397.268 13.466  394.411 9.5924  2.857147       16.53314  
1 1 1 0   41  12 o 254.010 5.4494  34997.36   1499.23  33128.48   1838.09  38711.80   2591.34  247.018 6.8702  266.785 8.9679  -19.76721      11.29706  
1 1 1 0   41  13 o 216.223 5.7778  25370.40   1353.11  24908.69   1911.26  25834.37   1915.91  214.022 8.2450  217.977 8.1151  -3.954605      11.56873  
1 1 1 0   41  14 o 85.777  3.4967  3987.80    324.857  3916.58    411.350  4105.85    529.557  84.866  4.4911  86.795  5.6641  -1.929199      7.228601  
1 1 1 0   41  15 f 192.527 4.3955  20101.96   916.586  20758.39   1584.25  19771.67   1123.77  195.384 7.4862  190.868 5.4359  4.515961       9.251653  
1 1 1 0   41  16 o 74.496  3.0687  3007.67    247.602  3030.50    470.387  2998.92    291.211  74.473  5.8794  74.376  3.6150  0.9668732E-01  6.901809  
1 1 1 0   41  17 o 189.036 3.7560  19377.06   769.029  19006.22   1530.86  19502.23   889.396  186.854 7.5642  189.606 4.3308  -2.752472      8.716301  
1 1 1 0   41  18 o 139.584 3.2609  10563.20   492.991  9358.78    1051.01  10902.95   558.210  130.872 7.4454  141.792 3.6348  -10.92044      8.285269  
1 1 1 0   41  19 o 146.054 3.2962  11568.19   521.426  11176.10   1035.55  11701.36   603.517  143.252 6.6742  146.859 3.7942  -3.607254      7.677264  
1 1 1 0   41  20 o 131.938 3.1893  9442.62    455.767  9907.50    906.401  9285.31    527.273  134.839 6.2063  130.796 3.7220  4.043762       7.236795  
1 1 1 0   41  21 o 146.081 3.2912  11583.84   520.742  12734.97   1042.43  11201.06   601.119  152.688 6.3034  143.583 3.8653  9.104813       7.394149  
1 1 1 0   41  22 o 116.306 3.0363  7345.59    382.483  6679.35    767.873  7565.43    441.098  110.198 6.4617  117.987 3.4517  -7.788864      7.325819  
1 1 1 0   41  23 o 121.824 3.2105  8069.71    423.620  8767.67    847.308  7837.10    489.141  126.294 6.1943  119.965 3.7645  6.328461       7.248479  
1 1 1 0   41  24 f 118.013 3.2437  7580.62    414.606  6948.52    821.604  7796.58    480.238  111.831 6.8156  119.590 3.7076  -7.758682      7.758811  
1 1 1 0   41  25 o 48.509  4.4866  1300.21    233.060  1217.25    459.734  1328.91    270.377  45.403  9.6464  48.886  5.1856  -3.482967      10.95187  
1 1 1 0   41  26 o 71.067  2.7646  2750.13    212.801  2727.58    543.667  2754.21    231.252  69.294  7.3563  71.085  3.0036  -1.790787      7.945833  
1 1 1 0   41  27 o 64.867  3.9125  2317.42    273.592  2646.37    528.008  2196.69    319.884  68.002  7.2820  62.905  4.7296  5.097244       8.683170  
1 1 1 0   41  28 o 62.958  3.9357  2190.41    267.030  2059.69    521.368  2236.89    310.904  59.021  8.3922  63.411  4.5572  -4.389534      9.549706  
1 1 1 0   41  29 o 77.140  3.6861  3278.10    307.975  3310.76    588.022  3265.75    361.527  75.409  7.2905  76.615  4.3748  -1.206573      8.502362  
1 1 1 0   41  30 o 66.756  2.8275  2445.69    204.437  2195.86    265.173  2811.75    320.992  62.760  3.9206  70.902  4.1986  -8.141712      5.744509  
1 1 1 0   41  31 o ?       ?       -425.6517  46.323   0.0000     0.0000   -425.6517  46.323   ?       ?       ?       ?       0.000000       ?         
1 1 1 0   41  32 o 38.287  9.4618  1028.06    390.110  0.0000     0.0000   1028.06    390.110  ?       ?       38.287  9.4618  0.000000       9.461829  
1 1 1 0   41  33 o 19.585  8.7013  74.197     369.583  0.0000     0.0000   74.197     369.583  ?       ?       19.585  8.7013  0.000000       8.701287  
1 1 1 0   41  34 o 18.584  8.3281  56.883     346.319  0.0000     0.0000   56.883     346.319  ?       ?       18.584  8.3281  0.000000       8.328071  
1 1 1 0   42  0  o 555.453 12.976  167375.50  7806.73  175523.30  11041.86 159232.09  11038.91 568.362 17.937  541.252 18.830  27.11005       26.00599  
1 1 1 0   42  1  o 516.765 8.6210  144844.30  4825.27  145816.91  6824.54  143872.09  6823.38  518.099 12.162  514.622 12.242  3.477051       17.25579  
1 1 1 0   42  2  o 281.058 4.9737  42801.84   1514.08  43391.30   2142.04  42213.27   2140.43  282.913 6.9904  279.042 7.0821  3.870667       9.950987  
1 1 1 0   42  3  o 203.953 3.8980  22534.56   861.076  22150.58   1218.26  22917.88   1217.23  202.172 5.5635  205.646 5.4649  -3.474365      7.798578  
1 1 1 0   42  4  o 540.691 8.8867  158622.91  5204.27  165406.20  7360.86  151843.00  7359.02  551.648 12.320  528.461 12.857  23.18707       17.80656  
1 1 1 0   42  5  o 517.313 9.9688  145300.41  5585.58  144441.30  9674.64  145729.91  6840.86  514.436 17.363  517.745 12.199  -3.309631      21.22031  
1 1 1 0   42  6  o 154.356 4.6179  12910.70   772.037  12407.60   1088.87  13419.30   1094.80  151.270 6.6459  157.322 6.4250  -6.052795      9.243873  
1 1 1 0   42  7  o 180.148 3.5436  17582.16   691.431  17477.48   977.766  17686.88   977.897  179.575 5.0271  180.649 4.9979  -1.073395      7.088788  
1 1 1 0   42  8  o 276.975 4.8418  41580.12   1452.50  41061.43   2054.50  42098.46   2053.79  275.124 6.8946  278.583 6.8066  -3.458496      9.688412  
1 1 1 0   42  9  o 123.999 2.9017  8329.62    389.713  8920.84    554.619  7753.02    547.721  128.305 3.9910  119.607 4.2280  8.697327       5.814108  
1 1 1 0   42  10 o 244.408 5.1805  32389.55   1371.37  33694.39   2375.42  31737.24   1679.54  248.993 8.8081  241.855 6.4116  7.138123       10.89451  
1 1 1 0   42  11 o 320.857 9.3815  56000.64   3260.29  55310.07   3938.23  57504.78   5812.18  318.534 11.415  323.188 16.661  -4.653992      20.19607  
1 1 1 0   42  12 o 188.366 5.2643  19245.31   1074.03  19746.49   1517.04  18741.66   1520.79  190.662 7.3462  185.731 7.5599  4.931107       10.54127  
1 1 1 0   42  13 o 116.703 4.1567  7383.74    525.417  7498.75    737.144  7264.96    749.104  117.549 5.7898  115.538 6.0069  2.011322       8.342892  
1 1 1 0   42  14 o 115.384 4.1582  7218.43    519.659  7292.01    728.335  7142.12    741.666  115.759 5.8277  114.543 5.9990  1.215599       8.363680  
1 1 1 0   42  15 o 76.291  2.5495  3153.51    210.665  3227.65    324.362  3099.42    277.051  77.059  3.8990  75.620  3.3826  1.439163       5.161814  
1 1 1 0   42  16 o 137.587 3.3302  10261.04   496.273  10945.72   955.151  10007.86   580.827  141.943 6.2128  135.854 3.9473  6.089157       7.360724  
1 1 1 0   42  17 o 130.839 3.2974  9280.22    467.283  10412.87   986.136  8952.26    530.638  138.383 6.5794  128.484 3.8131  9.898987       7.604458  
1 1 1 0   42  18 f 179.435 3.6549  17461.47   710.320  17730.58   1412.59  17370.39   821.775  180.435 7.2281  178.922 4.2405  1.512970       8.380177  
1 1 1 0   42  19 o 153.810 3.3652  12831.00   560.612  12266.51   1115.01  13021.98   648.548  150.033 6.8615  154.913 3.8653  -4.879807      7.875350  
1 1 1 0   42  20 o 172.024 3.5510  16060.52   661.624  14669.55   1311.37  16535.49   766.305  163.818 7.3908  174.492 4.0547  -10.67441      8.429998  
1 1 1 0   42  21 o 68.415  3.1779  2540.77    235.483  2475.19    457.674  2564.38    274.623  66.994  6.3847  68.604  3.7097  -1.610229      7.384141  
1 1 1 0   42  22 o 99.278  2.9776  5352.47    320.178  4843.52    641.800  5521.10    369.433  93.770  6.3568  100.789 3.3842  -7.018616      7.201487  
1 1 1 0   42  23 o 96.803  2.8583  5091.74    299.685  4505.77    660.918  5243.40    336.239  90.120  6.8216  98.198  3.1614  -8.077988      7.518541  
1 1 1 0   42  24 f 127.992 3.2692  8918.75    453.200  9140.28    921.554  8848.09    520.488  128.353 6.6518  127.373 3.7728  0.9800415      7.647237  
1 1 1 0   42  25 o 10.584  3.4734  58.534     46.001   1069.53    415.380  45.981     46.286   42.578  9.2702  9.8434  3.4790  32.73411       9.901489  
1 1 1 0   42  26 o 27.005  1.9432  398.059    56.455   387.633    58.144   569.788    235.977  26.637  2.0307  31.271  7.1260  -4.633904      7.409698  
1 1 1 0   42  27 f 92.417  3.2929  4671.17    329.606  4502.31    658.860  4727.54    380.664  89.038  6.8855  92.826  3.7862  -3.787758      7.857823  
1 1 1 0   42  28 o 35.663  1.0473  689.604    40.452   -268.3743  427.513  698.258    40.634   19.034  8.8025  35.886  1.0454  -16.85224      8.864326  
1 1 1 0   42  29 f 55.689  4.3601  1730.84    260.886  1140.28    505.062  1945.75    304.680  41.922  10.989  58.876  4.8202  -16.95353      11.99995  
1 1 1 0   42  30 o 64.148  2.8041  2259.57    194.825  2111.00    242.616  2529.32    326.911  61.608  3.6522  66.993  4.5320  -5.384773      5.820464  
1 1 1 0   42  31 o 15.968  7.1124  -29.9622   248.522  0.0000     0.0000   -29.9622   248.522  ?       ?       15.968  7.1124  0.000000       7.112400  
1 1 1 0   42  32 o 13.975  6.7792  -410.6219  320.099  0.0000     0.0000   -410.6219  320.099  ?       ?       13.975  6.7792  0.000000       6.779228  
1 1 1 0   42  33 o 24.358  9.6173  399.615    374.681  0.0000     0.0000   399.615    374.681  ?       ?       24.358  9.6173  0.000000       9.617288  
1 1 1 0   42  34 o 25.321  9.8079  485.327    383.547  0.0000     0.0000   485.327    383.547  ?       ?       25.321  9.8079  0.000000       9.807872  
1 1 1 0   43  1  o 188.550 3.6953  19258.87   754.654  19436.58   1067.76  19081.51   1066.72  189.389 5.2053  187.650 5.2485  1.738861       7.392023  
1 1 1 0   43  2  o 373.702 6.3699  75702.08   2578.25  75978.80   3647.14  75425.64   3645.26  374.206 8.9985  372.840 9.0268  1.366913       12.74588  
1 1 1 0   43  3  o 406.595 6.8172  89631.43   3002.18  92462.02   4247.28  86804.98   4244.17  412.743 9.5008  399.889 9.7990  12.85379       13.64868  
1 1 1 0   43  4  o 680.860 11.186  251866.50  8249.13  258886.30  11666.84 244848.80  11665.23 689.218 15.629  670.150 16.071  19.06775       22.41757  
1 1 1 0   43  5  o 411.399 8.0348  91822.94   3580.21  87144.64   6200.26  94163.04   4385.14  399.997 14.311  416.433 9.7223  -16.43619      17.30142  
1 1 1 0   43  6  o 179.309 4.1484  17420.90   805.651  17348.79   987.339  17564.58   1393.68  178.913 5.0951  179.953 7.1504  -1.040009      8.780023  
1 1 1 0   43  7  o 82.095  2.7007  3650.74    240.138  3787.13    341.230  3516.91    338.005  83.605  3.7683  80.566  3.8735  3.038948       5.404088  
1 1 1 0   43  8  o 217.942 4.0434  25739.26   954.457  25589.62   1350.27  25888.68   1349.34  217.239 5.7387  218.507 5.7015  -1.267517      8.089463  
1 1 1 0   43  9  o 277.844 4.8771  41849.48   1467.69  42501.63   2076.46  41198.37   2074.79  279.861 6.8503  275.528 6.9525  4.332611       9.760313  
1 1 1 0   43  10 o 217.050 4.7535  25540.38   1117.49  27030.40   1935.85  24795.71   1368.54  223.070 8.0123  213.799 5.9099  9.270874       9.956145  
1 1 1 0   43  11 o 90.676  3.9618  4456.42    389.092  4677.05    552.933  4240.01    547.624  92.693  5.5327  88.220  5.7629  4.473579       7.988860  
1 1 1 0   43  12 o 184.353 5.7462  18440.89   1147.36  18817.00   1450.40  17811.94   1875.58  186.121 7.1949  180.614 9.6224  5.507111       12.01488  
1 1 1 0   43  13 o 174.112 5.0233  16443.80   947.292  17103.81   1336.86  15778.22   1342.50  177.439 6.9561  170.400 7.2740  7.039429       10.06476  
1 1 1 0   43  14 o 241.303 5.6799  31604.21   1484.48  33642.83   2347.39  30245.55   1916.33  248.584 8.7185  235.861 7.5014  12.72290       11.50144  
1 1 1 0   43  15 o 156.169 3.3790  13219.31   571.543  14550.75   1132.71  12764.54   661.995  163.662 6.3900  153.433 3.9835  10.22829       7.529969  
1 1 1 0   43  16 o 135.235 3.1610  9912.54    463.008  10906.82   924.706  9579.85    534.888  141.697 6.0252  132.925 3.7152  8.772873       7.078558  
1 1 1 0   43  17 o 180.987 3.6633  17762.53   718.098  17949.45   1429.71  17699.46   830.449  181.586 7.2694  180.624 4.2449  0.9614563      8.417989  
1 1 1 0   43  18 o 134.910 3.2328  9868.39    472.382  10799.98   917.784  9532.66    550.966  140.930 6.0127  132.564 3.8373  8.365921       7.132849  
1 1 1 0   43  19 o 93.688  3.0140  4759.48    305.845  4188.17    602.672  4957.65    354.947  87.459  6.4068  95.600  3.4279  -8.141403      7.266186  
1 1 1 0   43  20 o 138.559 3.3243  10418.11   498.897  10401.34   962.100  10424.27   583.473  138.065 6.4338  138.548 3.8882  -0.4838257     7.517443  
1 1 1 0   43  21 o 114.334 3.0274  7095.35    374.901  7069.18    743.525  7104.27    434.127  113.580 6.0659  114.362 3.5048  -0.7823029     7.005661  
1 1 1 0   43  22 o 35.261  4.5324  688.845    169.092  607.892    336.745  716.138    195.529  32.590  9.1595  35.844  5.1873  -3.254616      10.52634  
1 1 1 0   43  23 o 37.938  4.7838  799.108    192.199  1092.19    428.779  725.414    215.009  43.322  9.4076  35.925  5.7173  7.396908       11.00867  
1 1 1 0   43  24 o 74.340  3.3526  3010.13    269.944  3399.06    550.696  2887.12    309.704  78.104  6.5709  72.619  3.9525  5.485199       7.668017  
1 1 1 0   43  25 o 87.920  3.2969  4215.14    313.948  3698.00    624.785  4389.82    363.122  81.023  7.1944  89.635  3.7403  -8.612030      8.108579  
1 1 1 0   43  26 o 33.939  1.3119  624.611    48.224   639.796    49.173   242.342    246.714  34.349  1.3217  22.206  8.0119  12.14247       8.120153  
1 1 1 0   43  27 o 60.033  2.5364  1963.58    164.923  1912.20    508.042  1969.63    174.366  57.024  8.4842  60.104  2.6785  -3.080536      8.896940  
1 1 1 0   43  28 o 103.233 3.3286  5844.42    372.176  5666.70    733.472  5906.04    431.909  99.462  6.8503  103.557 3.8507  -4.094650      7.858427  
1 1 1 0   43  29 o 49.143  4.7939  1360.18    251.920  1624.41    489.594  1265.04    293.797  51.404  9.1281  46.915  5.9133  4.489147       10.87603  
1 1 1 0   43  30 o 10.417  2.6740  61.812     30.324   60.671     30.534   143.746    258.767  10.325  2.6998  19.549  7.8994  -9.223062      8.348050  
1 1 1 0   43  31 f 33.194  7.9375  715.372    281.514  0.0000     0.0000   715.372    281.514  ?       ?       33.194  7.9375  0.000000       7.937481  
1 1 1 0   43  32 o 16.925  7.7921  -108.6065  329.561  0.0000     0.0000   -108.6065  329.561  ?       ?       16.925  7.7921  0.000000       7.792117  
1 1 1 0   43  33 o 18.484  8.2792  31.109     341.811  0.0000     0.0000   31.109     341.811  ?       ?       18.484  8.2792  0.000000       8.279161  
1 1 1 0   43  34 o 35.044  9.5838  941.285    374.242  0.0000     0.0000   941.285    374.242  ?       ?       35.044  9.5838  0.000000       9.583841  
1 1 1 0   44  0  o 489.585 11.537  130020.00  6117.58  134962.09  8653.11  125081.40  8650.02  498.421 16.029  479.770 16.646  18.65137       23.10891  
1 1 1 0   44  1  o 219.212 4.0847  26034.55   969.826  26319.13   1372.76  25750.98   1370.32  220.362 5.7516  217.969 5.8044  2.393051       8.171423  
1 1 1 0   44  2  o 347.299 5.9653  65379.56   2243.91  67678.95   3174.36  63083.06   3172.36  353.203 8.2978  340.978 8.5899  12.22482       11.94315  
1 1 1 0   44  3  o 232.310 4.3091  29240.90   1084.24  28942.81   1534.54  29538.05   1532.15  231.064 6.1316  233.431 6.0600  -2.366684      8.620929  
1 1 1 0   44  4  o 211.774 4.5232  24301.58   1037.50  23611.52   1793.60  24648.59   1271.89  208.620 7.9378  213.251 5.5066  -4.630280      9.660800  
1 1 1 0   44  5  o 374.881 9.0820  76297.26   3687.61  78799.72   5214.98  73794.60   5215.18  380.534 12.653  368.190 13.078  12.34399       18.19666  
1 1 1 0   44  6  o 242.122 5.0921  31774.82   1335.37  32792.74   1636.08  29743.38   2311.27  245.922 6.1424  234.033 9.1181  11.88893       10.99401  
1 1 1 0   44  7  o 502.141 8.3395  136899.70  4535.63  134899.41  6414.50  138899.80  6414.19  497.802 11.897  505.167 11.723  -7.365112      16.70226  
1 1 1 0   44  8  o 310.965 5.4221  52431.10   1826.20  53206.06   2583.89  51657.65   2581.38  313.071 7.6201  308.471 7.7262  4.599487       10.85174  
1 1 1 0   44  9  o 265.744 6.1393  38309.92   1767.07  40644.40   2786.60  36739.77   2285.33  273.405 9.4102  260.074 8.1130  13.33005       12.42468  
1 1 1 0   44  10 o 227.965 6.6219  28204.66   1635.01  29690.85   2023.88  25412.36   2774.13  233.778 7.9930  215.538 11.930  18.23982       14.35983  
1 1 1 0   44  11 o 320.640 7.9335  55869.68   2755.18  54642.98   3896.90  57095.77   3895.93  316.527 11.367  323.603 11.116  -7.075958      15.89839  
1 1 1 0   44  12 o 186.135 5.2281  18793.85   1054.02  18779.57   1491.10  18808.12   1490.11  185.910 7.4051  186.052 7.3946  -0.1421051     10.46497  
1 1 1 0   44  13 o 65.866  3.0545  2350.88    217.904  2178.48    320.420  2499.21    297.213  63.203  4.7146  67.775  4.0677  -4.571400      6.226834  
1 1 1 0   44  14 o 242.753 4.4449  31958.28   1168.67  32392.61   1655.28  31526.59   1650.24  244.227 6.2576  240.933 6.3238  3.294022       8.896517  
1 1 1 0   44  15 o 190.066 3.7679  19585.33   775.657  19336.74   1542.89  19669.40   897.291  188.543 7.5553  190.439 4.3502  -1.896423      8.718213  
1 1 1 0   44  16 o 317.201 5.5597  54637.09   1910.10  56345.32   3819.29  54067.32   2205.77  320.862 10.990  315.394 6.4571  5.467560       12.74645  
1 1 1 0   44  17 o 123.845 3.1222  8314.25    418.805  7490.44    826.437  8598.91    485.803  117.175 6.5379  125.929 3.5618  -8.753365      7.445148  
1 1 1 0   44  18 o 128.494 3.1765  8952.19    442.076  9518.32    873.409  8757.20    512.583  132.280 6.0961  127.058 3.7247  5.222061       7.143966  
1 1 1 0   44  19 o 364.391 6.2968  72333.19   2485.18  72898.71   4969.58  72144.60   2869.78  362.585 12.654  363.552 7.2881  -0.9672546     14.60303  
1 1 1 0   44  20 o 149.843 3.4111  12187.36   553.611  11341.55   1226.80  12403.64   620.368  143.618 7.9173  151.126 3.7900  -7.507813      8.777692  
1 1 1 0   44  21 o 102.517 2.9959  5705.10    332.652  5738.40    649.385  5693.25    387.331  102.306 5.8853  102.367 3.4934  -0.6121063E-01 6.843987  
1 1 1 0   44  22 o 55.245  2.4336  1656.27    145.614  2556.86    458.340  1555.16    153.570  67.958  6.2985  53.522  2.6492  14.43661       6.832991  
1 1 1 0   44  23 o 48.224  2.1168  1261.91    110.565  1288.30    126.173  1174.59    229.496  48.712  2.3914  46.123  4.6578  2.589531       5.235836  
1 1 1 0   44  24 o 30.470  6.3198  531.632    201.728  220.439    408.861  631.762    231.922  25.283  10.026  33.200  6.6809  -7.917631      12.04805  
1 1 1 0   44  25 o 73.199  3.3951  2923.45    269.167  3215.06    553.040  2832.92    308.125  75.634  6.8246  71.852  3.9748  3.781990       7.897687  
1 1 1 0   44  26 o 90.050  3.2560  4428.28    317.569  4225.28    642.547  4493.89    365.305  86.464  6.9191  90.600  3.7227  -4.135406      7.857041  
1 1 1 0   44  27 o 133.191 3.3466  9710.96    482.777  8808.12    962.894  10014.13   557.978  124.294 7.1831  135.037 3.8150  -10.74290      8.133332  
1 1 1 0   44  28 o 40.736  5.7610  949.338    247.094  1298.66    468.756  814.925    290.772  45.823  9.7446  37.028  7.5073  8.795761       12.30107  
1 1 1 0   44  29 o 46.541  2.0727  1180.21    104.485  230.282    475.483  1228.40    107.103  25.448  10.543  47.481  2.0826  -22.03245      10.74682  
1 1 1 0   44  30 o 28.374  1.5926  439.562    48.745   442.378    49.585   358.489    266.038  28.462  1.6151  24.392  8.3584  4.070093       8.512979  
1 1 1 0   44  31 o 25.200  9.3353  400.762    338.348  0.0000     0.0000   400.762    338.348  ?       ?       25.200  9.3353  0.000000       9.335261  
1 1 1 0   44  32 o 59.426  6.8439  2199.92    432.458  0.0000     0.0000   2199.92    432.458  ?       ?       59.426  6.8439  0.000000       6.843941  
1 1 1 0   44  33 o 43.316  8.4429  1293.74    381.869  0.0000     0.0000   1293.74    381.869  ?       ?       43.316  8.4429  0.000000       8.442905  
1 1 1 0   44  34 o 21.453  9.0166  256.771    355.215  0.0000     0.0000   256.771    355.215  ?       ?       21.453  9.0166  0.000000       9.016584  
1 1 1 0   45  1  o 216.172 4.0748  25318.25   954.067  24751.39   1350.28  25883.38   1348.23  213.688 5.8341  218.524 5.6963  -4.836517      8.153817  
1 1 1 0   45  2  o 482.599 8.0262  126353.50  4195.31  132300.00  5934.27  120411.80  5931.87  493.423 11.104  470.654 11.636  22.76932       16.08429  
1 1 1 0   45  3  o 185.835 4.1962  18711.88   844.615  17948.61   1461.71  19094.46   1034.86  181.908 7.4189  187.703 5.0903  -5.795364      8.997283  
1 1 1 0   45  4  o 148.319 3.6772  11918.27   590.722  11185.97   1020.19  12287.63   724.541  143.626 6.5581  150.586 4.4423  -6.959854      7.921035  
1 1 1 0   45  5  o 452.030 8.7284  110933.30  4273.37  112829.10  5234.11  107143.30  7400.77  455.605 10.607  443.068 15.422  12.53677       18.71728  
1 1 1 0   45  6  o 775.843 12.761  327884.19  10723.59 324039.31  15165.64 331728.91  15165.26 768.968 18.209  778.146 17.994  -9.178101      25.59947  
1 1 1 0   45  7  f 145.284 3.1366  11435.29   493.575  11553.40   701.252  11319.32   694.834  146.004 4.4344  144.518 4.4391  1.486771       6.274501  
1 1 1 0   45  8  o 424.503 7.1898  97809.54   3305.73  98475.44   4675.91  97144.16   4674.10  425.471 10.147  422.573 10.212  2.897980       14.39612  
1 1 1 0   45  9  o 159.726 4.7489  13831.07   821.552  13525.93   1162.22  14135.82   1161.48  157.866 6.7972  161.394 6.6444  -3.527725      9.505258  
1 1 1 0   45  10 o 358.597 8.7476  69913.89   3397.56  69422.05   4805.58  70405.43   4804.18  356.617 12.442  359.155 12.350  -2.537750      17.53038  
1 1 1 0   45  11 o 294.185 7.3732  47014.86   2349.35  46423.17   3323.26  47605.98   3321.71  291.859 10.513  295.578 10.376  -3.718933      14.77082  
1 1 1 0   45  12 o 205.300 4.0044  22848.16   890.420  22768.10   1259.48  22928.15   1259.01  204.836 5.6769  205.557 5.6549  -0.7203064     8.012853  
1 1 1 0   45  13 o 54.234  3.3894  1600.33    198.098  1799.53    285.466  1415.30    275.125  57.417  4.6296  50.827  5.0652  6.590946       6.862170  
1 1 1 0   45  14 f 149.930 3.3208  12183.42   539.260  12191.70   772.458  12175.54   753.164  149.917 4.7572  149.824 4.6413  0.9342957E-01  6.646249  
1 1 1 0   45  15 o 116.707 3.0302  7381.62    383.029  7767.36    750.830  7245.92    445.335  119.600 5.7961  115.613 3.5564  3.987267       6.800238  
1 1 1 0   45  16 o 293.061 6.0774  46667.67   1929.05  47627.91   4809.27  46483.56   2105.88  293.120 15.200  292.386 6.6498  0.7344360      16.59135  
1 1 1 0   45  17 o 196.410 4.0614  20927.01   863.982  20616.96   2134.04  20987.79   944.883  193.814 10.202  196.662 4.4359  -2.848465      11.12454  
1 1 1 0   45  18 f 185.809 3.7461  18729.93   753.896  18825.38   1501.30  18697.75   871.783  185.797 7.4604  185.593 4.3369  0.2038727      8.629326  
1 1 1 0   45  19 o 186.589 3.7415  18896.56   756.143  17592.99   1508.97  19333.64   873.759  179.378 7.7668  188.671 4.2758  -9.292267      8.865964  
1 1 1 0   45  20 f 83.888  3.0454  3818.50    276.701  3599.18    533.910  3899.03    323.542  80.973  6.1333  84.739  3.5251  -3.766052      7.074145  
1 1 1 0   45  21 o 168.413 3.5119  15413.66   640.595  13437.67   1275.15  16080.68   740.868  156.270 7.5339  171.933 3.9784  -15.66339      8.519788  
1 1 1 0   45  22 o 106.303 2.9103  6139.04    335.082  6645.35    630.398  5939.65    395.595  110.203 5.2814  104.490 3.4955  5.713020       6.333409  
1 1 1 0   45  23 o 62.683  2.6217  2134.55    177.992  2622.89    490.591  2060.52    191.006  68.589  6.6890  61.568  2.8643  7.021126       7.276440  
1 1 1 0   45  24 o 54.984  3.6832  1656.80    218.076  1805.72    459.542  1613.52    247.749  56.343  7.7344  54.149  4.2586  2.193699       8.829318  
1 1 1 0   45  25 o 35.567  5.1948  711.210    194.214  828.167    425.926  680.509    218.220  37.198  10.245  34.558  6.0505  2.639408       11.89865  
1 1 1 0   45  26 o 43.537  4.9534  1059.70    229.422  1002.10    451.202  1079.79    266.435  40.553  10.264  43.716  5.7678  -3.163406      11.77325  
1 1 1 0   45  27 o 21.151  7.3635  234.708    206.858  716.783    433.604  92.663     235.369  34.234  10.603  18.432  7.5028  15.80121       12.98915  
1 1 1 0   45  28 o 15.092  6.6776  -49.3398   215.510  330.996    422.619  -182.9974  250.531  26.497  10.286  14.510  6.7203  11.98705       12.28707  
1 1 1 0   45  29 o 24.837  7.6706  367.646    227.110  419.821    447.209  349.513    263.637  27.857  10.642  24.575  8.3210  3.281940       13.50889  
1 1 1 0   45  30 o 29.151  1.7940  465.053    56.368   463.978    57.484   491.948    287.477  29.110  1.8325  27.688  8.6430  1.421955       8.835143  
1 1 1 0   45  31 o 76.919  5.3796  3461.68    445.359  0.0000     0.0000   3461.68    445.359  ?       ?       76.919  5.3796  0.000000       5.379597  
1 1 1 0   45  32 o 49.527  7.3503  1566.51    382.326  0.0000     0.0000   1566.51    382.326  ?       ?       49.527  7.3503  0.000000       7.350261  
1 1 1 0   45  33 o 24.186  9.5923  399.255    374.303  0.0000     0.0000   399.255    374.303  ?       ?       24.186  9.5923  0.000000       9.592336  
1 1 1 0   45  34 o 19.280  8.1512  165.587    293.065  0.0000     0.0000   165.587    293.065  ?       ?       19.280  8.1512  0.000000       8.151155  
1 1 1 0   46  0  o 394.534 9.4438  84405.39   4035.54  88165.45   5708.87  80649.94   5705.37  402.986 13.079  385.384 13.668  17.60245       18.91823  
1 1 1 0   46  1  o 308.951 5.3678  51735.18   1796.21  54009.57   2541.82  49466.47   2538.64  315.547 7.4372  301.962 7.7621  13.58466       10.74998  
1 1 1 0   46  2  o 258.949 4.6519  36337.25   1304.72  37181.96   1846.29  35494.63   1844.02  261.861 6.5097  255.843 6.6546  6.017975       9.309114  
1 1 1 0   46  3  o 201.469 4.4581  21995.23   972.802  21492.23   1684.12  22247.10   1191.72  199.024 7.8126  202.589 5.4311  -3.564896      9.514960  
1 1 1 0   46  4  o 294.395 7.3568  47019.61   2345.78  46482.13   3317.85  47556.84   3317.03  292.438 10.475  295.812 10.353  -3.373840      14.72781  
1 1 1 0   46  5  o 754.622 14.377  310661.31  11750.52 312965.00  14391.48 306053.91  20352.22 756.049 17.575  743.339 25.279  12.70917       30.78764  
1 1 1 0   46  6  o 367.122 6.2715  73100.88   2493.73  72250.14   3526.71  73951.57   3526.63  364.695 8.9283  368.978 8.8245  -4.282288      12.55335  
1 1 1 0   46  7  o 317.579 5.9009  54699.43   2029.75  56949.00   2670.91  51624.35   3122.76  323.885 7.6138  308.180 9.3554  15.70517       12.06208  
1 1 1 0   46  8  o 270.935 5.5976  39810.01   1642.61  42875.66   2848.69  38282.98   2010.51  280.812 9.3661  265.581 6.9894  15.23016       11.68655  
1 1 1 0   46  9  o 55.910  2.3986  1693.34    145.249  1004.49    341.140  1845.87    160.526  42.351  7.7216  58.373  2.5390  -16.02234      8.128308  
1 1 1 0   46  10 o 258.874 7.7068  36409.57   2160.90  36217.70   2641.62  36797.63   3756.84  257.982 9.4539  259.065 13.435  -1.083374      16.42785  
1 1 1 0   46  11 o 132.119 3.5719  9460.15    511.131  10769.85   887.198  8809.48    625.339  140.880 5.8143  127.465 4.5295  13.41531       7.370426  
1 1 1 0   46  12 o 289.315 5.6272  45421.61   1763.34  48616.20   2325.47  41099.95   2704.76  299.126 7.1777  274.759 9.0888  24.36630       11.58126  
1 1 1 0   46  13 o 223.671 4.2234  27126.52   1023.16  27732.31   1451.18  26527.70   1442.81  226.020 5.9279  221.047 6.0263  4.972275       8.453225  
1 1 1 0   46  14 o 278.583 4.9502  42106.30   1493.64  42529.60   2116.55  41686.38   2108.12  279.726 6.9860  276.933 7.0283  2.793060       9.909633  
1 1 1 0   46  15 o 58.908  2.2648  1880.06    144.503  1994.55    375.961  1860.21    156.527  60.325  5.8266  58.594  2.4664  1.730858       6.327155  
1 1 1 0   46  16 o 238.552 4.4136  30875.36   1140.38  29902.39   2276.75  31201.21   1317.57  234.083 8.9800  239.736 5.0742  -5.652908      10.31446  
1 1 1 0   46  17 o 281.823 5.3457  43146.29   1631.74  40634.61   3039.37  44163.37   1934.10  272.352 10.303  284.960 6.2665  -12.60818      12.05945  
1 1 1 0   46  18 o 292.910 5.5583  46654.14   1763.38  46307.63   3285.05  46794.40   2090.02  290.319 10.447  293.108 6.5834  -2.789215      12.34840  
1 1 1 0   46  19 o 63.987  3.2916  2227.24    227.350  1617.69    434.956  2456.38    266.680  53.861  7.6728  67.171  3.6796  -13.30960      8.509439  
1 1 1 0   46  20 o 90.832  2.9577  4476.94    290.981  4789.73    575.090  4369.30    337.351  93.528  5.7043  89.699  3.4723  3.828835       6.678055  
1 1 1 0   46  21 o 30.500  1.3977  504.094    46.172   252.298    308.286  509.872    46.698   24.028  8.9089  30.675  1.4056  -6.647066      9.019127  
1 1 1 0   46  22 o 92.875  3.0629  4688.40    308.107  5488.58    632.495  4439.44    352.795  99.836  5.8751  90.312  3.6067  9.524330       6.893854  
1 1 1 0   46  23 o 25.685  6.4123  378.238    177.836  868.034    395.609  254.200    199.084  38.486  9.5386  21.867  7.2283  16.61945       11.96801  
1 1 1 0   46  24 o 57.056  2.3497  1768.61    145.207  2166.08    468.169  1726.30    152.739  61.971  7.1032  56.357  2.5023  5.614273       7.531093  
1 1 1 0   46  25 o 23.214  7.2867  301.213    204.014  356.578    397.468  281.409    237.718  27.247  10.113  23.095  7.9010  4.152233       12.83367  
1 1 1 0   46  26 o 75.429  2.7333  3100.60    223.304  3024.49    554.650  3115.32    243.948  72.891  7.1162  75.563  2.9807  -2.672333      7.715247  
1 1 1 0   46  27 o 88.714  3.3250  4310.27    319.489  3563.27    634.674  4563.81    369.754  78.559  7.5521  91.149  3.7453  -12.58949      8.429808  
1 1 1 0   46  28 o 42.234  5.4854  1015.42    244.999  945.232    458.517  1043.46    289.845  38.550  10.635  42.416  6.5176  -3.865646      12.47350  
1 1 1 0   46  29 o 42.922  5.5128  1059.14    250.364  1021.83    465.686  1074.30    296.927  39.355  10.661  42.704  6.6350  -3.349236      12.55704  
1 1 1 0   46  30 o 22.330  1.4574  272.462    35.055   250.894    48.968   295.134    50.205   21.309  2.1511  23.153  2.0223  -1.844145      2.952492  
1 1 1 0   46  31 o 22.857  9.2855  267.103    359.595  0.0000     0.0000   267.103    359.595  ?       ?       22.857  9.2855  0.000000       9.285493  
1 1 1 0   46  32 o 22.010  8.9731  260.426    337.316  0.0000     0.0000   260.426    337.316  ?       ?       22.010  8.9731  0.000000       8.973090  
1 1 1 0   46  33 o 16.105  7.5533  -160.6967  332.765  0.0000     0.0000   -160.6967  332.765  ?       ?       16.105  7.5533  0.000000       7.553322  
1 1 1 0   47  1  o 398.606 6.7439  86170.27   2911.53  88267.81   4118.84  84075.39   4116.22  403.148 9.4328  393.431 9.6596  9.717682       13.50132  
1 1 1 0   47  2  o 497.546 9.5890  134466.00  5167.44  132001.50  8950.46  135698.30  6328.73  491.438 16.815  499.455 11.699  -8.017273      20.48475  
1 1 1 0   47  3  o 181.079 5.0928  17773.04   998.843  17413.33   1412.86  18132.46   1412.29  179.155 7.2812  182.823 7.1322  -3.668579      10.19232  
1 1 1 0   47  4  o 253.014 5.2666  34702.71   1443.26  34294.18   1768.25  35518.06   2498.06  251.455 6.4925  255.723 9.0191  -4.267548      11.11290  
1 1 1 0   47  5  o 208.573 3.9566  23573.14   893.829  23677.04   1265.29  23469.65   1262.85  208.969 5.5903  208.051 5.6042  0.9178162      7.915690  
1 1 1 0   47  6  o 411.700 7.0057  91978.30   3123.96  90354.07   4418.57  93601.60   4417.32  407.617 10.008  414.908 9.8296  -7.291107      14.02807  
1 1 1 0   47  7  o 209.649 3.9899  23819.67   906.003  24005.70   1282.67  23634.45   1279.90  210.393 5.6288  208.758 5.6606  1.634888       7.982833  
1 1 1 0   47  8  o 207.766 5.6141  23412.29   1263.35  23392.42   1788.43  23432.08   1784.88  207.521 7.9568  207.699 7.9342  -0.1776276     11.23668  
1 1 1 0   47  9  o 341.059 8.3585  63220.92   3087.64  63852.13   4367.80  62590.43   4365.35  342.151 11.786  338.730 11.899  3.420349       16.74790  
1 1 1 0   47  10 o 264.727 6.7526  38050.29   1936.15  38354.79   2738.75  37746.07   2737.51  265.446 9.5259  263.321 9.5984  2.125153       13.52303  
1 1 1 0   47  11 o 364.665 6.2505  72187.71   2468.77  76187.26   3493.38  68197.34   3489.37  374.229 8.6186  353.971 9.1014  20.25854       12.53461  
1 1 1 0   47  12 o 46.171  3.5110  1162.07    174.263  1112.08    254.644  1206.11    238.990  44.960  5.3333  46.916  4.7694  -1.956665      7.154802  
1 1 1 0   47  13 o 265.247 4.8585  38165.34   1395.81  38460.89   1976.92  37871.56   1971.04  266.052 6.8604  264.001 6.8932  2.050385       9.725286  
1 1 1 0   47  14 o 104.529 2.9822  5921.22    337.637  6324.63    491.703  5561.30    464.443  107.995 4.2037  101.268 4.2344  6.727554       5.966660  
1 1 1 0   47  15 o 178.987 4.1641  17375.36   807.260  16072.65   1391.34  18036.43   991.144  171.862 7.4745  182.299 5.0198  -10.43700      9.003709  
1 1 1 0   47  16 o 184.655 3.8952  18493.00   779.037  18470.60   1475.14  18501.67   917.403  184.189 7.3943  184.646 4.5872  -0.4568176     8.701670  
1 1 1 0   47  17 o 147.958 3.3006  11870.35   528.937  10940.01   1041.27  12193.90   614.063  141.754 6.7820  149.931 3.7814  -8.177017      7.764909  
1 1 1 0   47  18 o 404.792 6.9222  89340.20   3034.93  87025.55   6068.46  90112.22   3504.71  395.276 14.175  406.092 7.9681  -10.81625      16.26063  
1 1 1 0   47  19 o 137.702 3.2295  10288.58   481.662  10365.01   953.878  10262.42   558.029  137.827 6.3898  137.481 3.7475  0.3461456      7.407668  
1 1 1 0   47  20 o 165.268 3.4845  14835.30   623.728  14854.90   1244.84  14828.73   720.724  164.649 6.9805  165.149 4.0292  -0.5004272     8.059868  
1 1 1 0   47  21 f 37.053  4.3132  757.891    169.857  861.380    329.752  720.515    198.170  38.780  8.1114  35.949  5.2439  2.831047       9.658808  
1 1 1 0   47  22 o 135.483 3.2132  9982.43    471.507  10793.43   953.064  9719.60    542.555  140.051 6.2830  133.586 3.7498  6.465363       7.316896  
1 1 1 0   47  23 o 147.677 3.4146  11877.74   546.165  11911.38   1077.85  11866.12   633.519  146.665 6.7852  147.458 3.9666  -0.7935944     7.859563  
1 1 1 0   47  24 o 71.353  3.3468  2775.82    258.653  2353.58    525.601  2910.76    297.120  64.379  7.6900  72.905  3.7757  -8.526306      8.566889  
1 1 1 0   47  25 o 111.225 3.0712  6744.44    369.977  5890.57    768.936  7001.67    422.041  102.324 6.9798  113.230 3.4413  -10.90571      7.782035  
1 1 1 0   47  26 o 77.646  3.3650  3297.41    282.987  2752.15    569.074  3476.54    326.176  69.135  7.7321  79.624  3.7822  -10.48835      8.607597  
1 1 1 0   47  27 o 39.983  5.5549  909.183    234.058  717.365    441.129  984.344    276.133  34.128  10.715  41.336  6.3724  -7.208427      12.46686  
1 1 1 0   47  28 o 57.203  2.4098  1784.75    149.306  1750.54    485.910  1788.32    156.897  53.959  8.6032  57.239  2.5307  -3.280411      8.967665  
1 1 1 0   47  29 o 25.844  7.5575  406.291    224.932  178.179    423.232  496.084    265.537  23.561  9.8692  28.305  8.1926  -4.743599      12.82653  
1 1 1 0   47  30 o 18.191  7.8129  59.155     276.779  0.0000     0.0000   59.155     276.779  ?       ?       18.191  7.8129  0.000000       7.812923  
1 1 1 0   47  31 o 61.992  5.9913  2299.58    397.265  0.0000     0.0000   2299.58    397.265  ?       ?       61.992  5.9913  0.000000       5.991344  
1 1 1 0   47  32 o 31.280  9.8898  730.912    375.176  0.0000     0.0000   730.912    375.176  ?       ?       31.280  9.8898  0.000000       9.889844  
1 1 1 0   47  33 o 22.171  9.0541  296.072    344.157  0.0000     0.0000   296.072    344.157  ?       ?       22.171  9.0541  0.000000       9.054060  
1 1 1 0   48  0  o 534.569 12.524  155174.70  7251.34  162407.70  10256.92 147947.30  10252.96 546.211 17.337  521.197 18.163  25.01440       25.10912  
1 1 1 0   48  1  o 277.247 5.6803  41673.50   1705.73  42010.99   2956.23  41505.06   2088.44  278.058 9.8160  276.608 6.9709  1.450409       12.03936  
1 1 1 0   48  2  o 311.435 6.2759  52599.58   2116.95  55392.47   3669.11  51205.92   2591.86  319.181 10.613  307.165 7.7906  12.01590       13.16576  
1 1 1 0   48  3  o 363.004 7.1612  71496.34   2815.59  73733.73   3449.10  67027.12   4874.72  368.481 8.6421  350.743 12.832  17.73798       15.47073  
1 1 1 0   48  4  o 334.105 6.5958  60553.78   2386.83  63164.38   2924.13  55341.92   4131.65  341.104 7.9148  318.787 11.966  22.31741       14.34682  
1 1 1 0   48  5  o 219.881 4.1022  26200.98   976.946  27415.55   1386.07  25001.90   1377.20  224.848 5.6915  214.710 5.9221  10.13756       8.213644  
1 1 1 0   48  6  o 189.866 3.7450  19534.49   770.136  19598.80   1093.14  19471.12   1085.18  190.119 5.3086  189.500 5.2872  0.6193542      7.492335  
1 1 1 0   48  7  o 171.938 5.0317  16028.58   937.037  14949.46   1332.65  17083.82   1317.82  165.935 7.4149  177.418 6.8578  -11.48308      10.10006  
1 1 1 0   48  8  o 121.420 4.1852  7990.98    550.397  7958.91    781.146  8022.61    775.641  121.122 5.9544  121.608 5.8888  -0.4860840     8.374531  
1 1 1 0   48  9  o 399.552 13.711  87337.84   5933.36  87337.84   5933.36  0.0000     0.0000   399.552 13.711  ?       ?       0.000000       13.71060  
1 1 1 0   48  10 o 281.569 6.4899  43040.51   1979.22  42491.98   2203.42  45331.96   4503.50  279.682 7.2738  287.206 14.524  -7.523956      16.24403  
1 1 1 0   48  11 o 136.017 3.1979  10025.56   471.115  10522.27   674.525  9552.48    658.285  139.303 4.4706  132.725 4.5792  6.578735       6.399657  
1 1 1 0   48  12 o 113.742 3.0211  7010.45    372.176  7481.47    534.859  6568.29    518.210  117.467 4.2039  110.060 4.3472  7.406670       6.047367  
1 1 1 0   48  13 o 166.674 3.6375  15058.98   656.670  15333.76   895.307  14739.06   966.067  168.122 4.9168  164.799 5.4123  3.322952       7.312160  
1 1 1 0   48  14 f 162.999 3.6071  14403.13   636.821  14814.25   872.960  13935.47   931.044  165.238 4.8777  160.230 5.3648  5.007584       7.250741  
1 1 1 0   48  15 o 256.323 5.3826  35673.48   1494.35  34721.07   2584.33  36151.87   1831.60  252.194 9.4612  257.873 6.5578  -5.679688      11.51163  
1 1 1 0   48  16 o 262.878 5.0134  37519.03   1427.45  34566.88   3785.84  38008.28   1541.20  249.791 14.050  264.536 5.3790  -14.74500      15.04468  
1 1 1 0   48  17 f 248.377 4.5665  33493.74   1228.46  33449.56   2450.80  33508.57   1419.70  247.272 9.1508  248.327 5.2784  -1.054382      10.56406  
1 1 1 0   48  18 o 35.914  2.3606  702.093    91.310   1232.08    334.219  659.343    94.922   47.066  6.7494  34.783  2.5370  12.28291       7.210439  
1 1 1 0   48  19 o 159.503 3.5437  13812.44   612.209  13723.91   1167.09  13846.05   719.083  158.460 6.8001  159.622 4.1593  -1.162338      7.971279  
1 1 1 0   48  20 o 131.748 3.2993  9426.88    470.803  10287.25   981.756  9169.93    536.519  137.040 6.6143  129.878 3.8140  7.162384       7.635176  
1 1 1 0   48  21 o 71.607  2.5602  2783.14    198.564  2724.05    459.336  2796.72    220.202  70.219  6.1002  71.763  2.8330  -1.544662      6.725936  
1 1 1 0   48  22 o 46.448  4.2244  1186.74    210.198  942.054    436.248  1260.72    239.879  40.090  10.062  47.802  4.6937  -7.711609      11.10323  
1 1 1 0   48  23 o 152.861 3.3728  12727.72   558.418  13449.26   1120.00  12489.00   644.201  155.848 6.6350  151.264 3.9320  4.584106       7.712619  
1 1 1 0   48  24 o 76.647  2.5536  3194.30    211.990  3027.18    544.146  3224.21    230.176  73.388  6.9277  76.979  2.7607  -3.590805      7.457504  
1 1 1 0   48  25 o 75.236  2.6996  3082.04    219.989  3468.78    307.121  2674.52    315.261  79.659  3.5596  69.699  4.1957  9.959274       5.502236  
1 1 1 0   48  26 o 75.326  3.4726  3106.41    283.317  3324.93    558.272  3030.61    328.804  76.500  6.8089  74.133  4.1111  2.367355       7.953807  
1 1 1 0   48  27 o 104.087 3.3297  5938.21    375.377  5386.81    724.431  6140.61    438.894  97.009  6.9406  105.640 3.8359  -8.631050      7.930014  
1 1 1 0   48  28 f 15.077  6.7193  -63.1132   222.145  -81.6877   401.169  -54.8987   266.782  20.141  8.9990  16.721  7.4126  3.420090       11.65888  
1 1 1 0   48  29 o 16.403  7.0456  21.619     225.101  241.750    410.870  -72.7923   269.077  24.143  9.8798  16.314  7.3237  7.828564       12.29822  
1 1 1 0   48  30 o 64.492  3.0984  2304.84    216.427  0.0000     0.0000   2304.84    216.427  ?       ?       64.492  3.0984  0.000000       3.098385  
1 1 1 0   48  31 o 32.471  9.6919  750.821    366.812  0.0000     0.0000   750.821    366.812  ?       ?       32.471  9.6919  0.000000       9.691884  
1 1 1 0   48  32 o 39.226  8.6464  1060.79    357.458  0.0000     0.0000   1060.79    357.458  ?       ?       39.226  8.6464  0.000000       8.646403  
1 1 1 0   48  33 o 19.781  8.7156  115.444    363.334  0.0000     0.0000   115.444    363.334  ?       ?       19.781  8.7156  0.000000       8.715607  
1 1 1 0   49  1  f 325.297 6.4837  57396.63   2284.41  54088.21   3956.80  59050.72   2797.79  315.236 11.589  329.831 7.8316  -14.59503      13.98695  
1 1 1 0   49  2  o 581.973 13.657  184737.30  8608.54  193305.09  12175.90 176174.00  12172.73 593.363 18.946  566.082 19.854  27.28094       27.44272  
1 1 1 0   49  3  o 356.677 7.0809  69033.10   2735.50  70463.93   3350.60  66173.05   4737.15  360.186 8.5887  348.468 12.551  11.71771       15.20845  
1 1 1 0   49  4  o 184.113 3.6484  18367.56   727.544  18465.28   1033.50  18271.56   1024.37  184.551 5.1704  183.581 5.1518  0.9698639      7.298885  
1 1 1 0   49  5  o 81.731  2.7079  3618.67    239.708  3730.48    345.214  3514.57    333.108  82.970  3.8415  80.534  3.8189  2.436523       5.416705  
1 1 1 0   49  6  o 67.941  4.1042  2510.85    300.598  1986.86    453.491  2921.52    401.467  60.085  7.1060  73.229  5.0934  -13.14352      8.742897  
1 1 1 0   49  7  o 92.744  3.6699  4661.22    368.649  4332.18    563.444  4907.50    487.467  89.174  5.8664  95.142  4.7304  -5.968788      7.536057  
1 1 1 0   49  8  o 311.062 7.7422  52564.91   2608.43  51861.23   3692.32  53265.98   3685.46  308.472 11.051  312.652 10.883  -4.179840      15.51056  
1 1 1 0   49  9  o 402.593 7.9748  88090.44   3477.42  84525.34   4259.69  95213.13   6020.95  393.963 9.9828  417.218 13.324  -23.25528      16.64882  
1 1 1 0   49  10 o 123.637 3.0289  8282.89    405.604  8247.26    576.036  8317.93    571.215  123.336 4.3121  123.865 4.2578  -0.5290222     6.059924  
1 1 1 0   49  11 o 181.579 3.6696  17870.96   721.690  18241.72   1027.39  17509.81   1013.99  183.374 5.1728  179.655 5.2110  3.718689       7.342534  
1 1 1 0   49  12 o 336.764 5.8599  61563.45   2137.40  60595.99   3023.67  62529.71   3021.82  333.698 8.3659  339.007 8.2298  -5.308960      11.73532  
1 1 1 0   49  13 o 190.319 3.7732  19636.42   777.786  20722.20   1106.73  18576.83   1093.30  195.415 5.2289  185.007 5.4561  10.40855       7.557176  
1 1 1 0   49  14 o 285.070 5.1083  44103.99   1577.24  43700.86   2235.23  44503.77   2225.91  283.450 7.2807  286.059 7.1843  -2.608459      10.22851  
1 1 1 0   49  15 o 438.388 8.5833  104794.80  4075.51  101636.90  7057.29  106374.90  4992.07  428.611 15.202  440.953 10.452  -12.34225      18.44880  
1 1 1 0   49  16 o 250.050 4.5631  33936.09   1235.81  33719.75   2468.31  34008.46   1427.63  248.410 9.1740  250.223 5.2677  -1.813065      10.57880  
1 1 1 0   49  17 o 96.469  2.9253  5045.40    305.654  4941.62    596.362  5082.37    355.962  95.141  5.8152  96.803  3.3950  -1.662170      6.733678  
1 1 1 0   49  18 o 147.279 3.2594  11767.22   519.938  9938.17    1028.84  12394.57   602.543  134.735 7.0749  151.118 3.6813  -16.38240      7.975317  
1 1 1 0   49  19 o 46.185  3.6415  1165.58    180.677  1126.47    335.050  1181.62    214.545  44.826  7.1406  46.420  4.3167  -1.594173      8.343942  
1 1 1 0   49  20 o 126.091 3.1103  8633.73    424.771  7898.18    828.626  8895.91    494.716  119.906 6.4036  127.936 3.5702  -8.030121      7.331593  
1 1 1 0   49  21 o 99.253  3.0709  5353.21    330.127  5187.93    672.822  5405.61    378.868  96.941  6.4447  99.685  3.5090  -2.744011      7.338097  
1 1 1 0   49  22 o 74.073  2.5855  2980.16    207.433  2839.93    531.199  3005.39    225.322  71.339  6.9636  74.367  2.7974  -3.028259      7.504483  
1 1 1 0   49  23 o 115.227 3.1347  7228.01    391.216  7194.40    787.946  7239.01    450.691  113.848 6.4161  115.217 3.6116  -1.368240      7.362744  
1 1 1 0   49  24 f 58.717  3.5642  1888.93    225.597  2028.48    479.911  1849.34    255.598  59.692  7.5949  57.989  4.0959  1.703815       8.628917  
1 1 1 0   49  25 o 39.938  1.9337  866.304    83.649   1014.30    427.632  860.416    85.297   41.045  9.7617  39.800  1.9787  1.245152       9.960216  
1 1 1 0   49  26 o 41.154  4.9400  950.458    215.799  974.268    442.308  943.019    247.221  39.792  10.212  40.740  5.7635  -0.9481163     11.72583  
1 1 1 0   49  27 o 35.191  2.5021  678.651    94.748   603.438    101.281  1205.87    268.150  33.112  2.8518  46.137  5.4727  -13.02503      6.171216  
1 1 1 0   49  28 o 38.394  2.2032  806.149    91.238   1066.80    449.600  794.954    93.177   40.874  10.191  38.115  2.2673  2.759117       10.44012  
1 1 1 0   49  29 o 24.622  7.5750  370.202    221.726  56.443     430.171  483.719    258.745  21.845  9.5577  27.783  8.1003  -5.937828      12.52857  
1 1 1 0   49  30 o 50.458  5.8089  1507.01    311.665  0.0000     0.0000   1507.01    311.665  ?       ?       50.458  5.8089  0.000000       5.808864  
1 1 1 0   49  31 o 20.329  8.5578  155.113    320.812  0.0000     0.0000   155.113    320.812  ?       ?       20.329  8.5578  0.000000       8.557775  
1 1 1 0   49  32 o 24.084  9.2247  384.575    336.585  0.0000     0.0000   384.575    336.585  ?       ?       24.084  9.2247  0.000000       9.224734  
1 1 1 0   49  33 o 18.025  8.1200  14.486     334.060  0.0000     0.0000   14.486     334.060  ?       ?       18.025  8.1200  0.000000       8.119997  
1 1 1 0   50  0  o 388.541 13.279  82045.14   5588.38  0.0000     0.0000   82045.14   5588.38  ?       ?       388.541 13.279  0.000000       13.27940  
1 1 1 0   50  1  o 122.040 6.0380  8077.70    798.118  0.0000     0.0000   8077.70    798.118  ?       ?       122.040 6.0380  0.000000       6.038012  
1 1 1 0   50  2  o 116.435 4.1338  7347.05    521.313  7466.77    735.050  7225.89    739.466  117.340 5.7836  115.275 5.9428  2.065331       8.292617  
1 1 1 0   50  3  o 138.977 3.6795  10465.89   553.864  11375.54   955.960  10006.25   679.541  144.819 6.0946  135.869 4.6177  8.949936       7.646390  
1 1 1 0   50  4  f 202.162 4.4520  22152.11   974.826  24872.50   1694.99  20807.56   1191.62  214.058 7.3108  195.880 5.6167  18.17793       9.219239  
1 1 1 0   50  5  o 200.653 5.4402  21833.25   1182.30  22742.68   1676.78  20934.06   1667.31  204.661 7.5644  196.335 7.8406  8.325424       10.89468  
1 1 1 0   50  6  o 359.479 8.7549  70239.09   3408.75  71045.09   4822.12  69434.02   4819.27  360.887 12.337  356.743 12.473  4.143921       17.54304  
1 1 1 0   50  7  o 103.812 3.9655  5840.94    445.879  5983.60    638.575  5705.23    622.857  104.878 5.6423  102.402 5.6375  2.475494       7.976037  
1 1 1 0   50  8  o 239.251 5.1297  31043.84   1329.28  29683.43   1629.14  33753.66   2299.28  233.854 6.4319  249.160 8.5201  -15.30553      10.67529  
1 1 1 0   50  9  o 277.863 5.7561  41892.80   1732.34  41682.00   2123.00  42312.83   2996.74  277.027 7.0755  278.724 9.9267  -1.696869      12.19023  
1 1 1 0   50  10 o 413.093 7.5758  92742.69   3389.58  94728.27   4442.69  89976.92   5243.37  416.984 9.8369  405.822 11.929  11.16183       15.46174  
1 1 1 0   50  11 o 464.527 7.7803  117327.00  3914.49  121261.40  5537.48  113396.90  5534.38  471.366 10.846  455.703 11.213  15.66254       15.60039  
1 1 1 0   50  12 f 37.709  2.0268  772.542    82.476   926.184    250.163  753.805    87.360   40.901  5.8104  37.239  2.1754  3.661972       6.204298  
1 1 1 0   50  13 o 146.248 3.3835  11593.23   535.961  12266.66   742.321  10859.89   774.639  150.382 4.5575  141.470 5.0555  8.911636       6.806518  
1 1 1 0   50  14 o 108.931 3.0332  6431.13    357.871  6577.62    532.211  6310.23    483.499  110.114 4.4624  107.866 4.1385  2.248459       6.086083  
1 1 1 0   50  15 o 114.910 3.1097  7157.52    387.030  7086.60    563.139  7221.00    532.807  114.279 4.5497  115.372 4.2638  -1.092499      6.235349  
1 1 1 0   50  16 o 143.493 3.2619  11164.19   506.963  11215.55   1000.74  11146.46   587.996  143.571 6.4355  143.349 3.7871  0.2223969      7.467149  
1 1 1 0   50  17 o 131.699 3.1228  9405.69    445.445  9090.38    880.916  9514.01    516.319  129.206 6.2948  132.426 3.5998  -3.219864      7.251410  
1 1 1 0   50  18 o 325.338 5.6921  57650.27   2005.75  54372.71   4008.67  58744.86   2316.59  312.999 11.825  328.119 6.5185  -15.12057      13.50230  
1 1 1 0   50  19 o 94.025  2.7678  4796.13    281.873  4100.97    573.532  5017.51    323.659  86.428  6.1673  96.148  3.1080  -9.720001      6.906140  
1 1 1 0   50  20 o 20.125  1.1879  220.196    25.778   -56.4796   259.595  222.951    25.906   16.928  7.4150  20.251  1.1863  -3.323326      7.509296  
1 1 1 0   50  21 o 88.458  2.9971  4252.05    287.145  4648.38    618.575  4143.19    324.191  91.758  6.2615  87.272  3.4297  4.486389       7.139297  
1 1 1 0   50  22 o 76.516  3.2353  3185.75    268.128  3572.92    542.171  3060.41    308.494  80.273  6.2861  74.830  3.8190  5.442726       7.355231  
1 1 1 0   50  23 o 95.868  3.0798  5003.67    319.785  5390.51    657.359  4883.74    366.014  98.534  6.1910  94.626  3.5712  3.907997       7.147183  
1 1 1 0   50  24 o 53.598  2.3283  1561.31    135.164  1593.22    156.741  1468.75    266.952  54.113  2.6743  51.464  4.8462  2.648060       5.535124  
1 1 1 0   50  25 o 28.122  6.2273  457.788    184.673  619.566    412.050  417.124    206.583  32.475  10.375  26.747  7.0364  5.728621       12.53583  
1 1 1 0   50  26 o 46.467  4.6467  1204.53    230.723  838.401    454.344  1331.76    267.827  36.818  10.734  48.723  5.1533  -11.90522      11.90672  
1 1 1 0   50  27 o 38.032  2.1894  790.102    89.804   767.684    94.823   985.208    279.741  37.462  2.3489  41.264  6.4719  -3.802567      6.885002  
1 1 1 0   50  28 o 26.402  7.6056  419.773    229.334  839.679    431.170  254.114    270.820  36.066  10.440  22.438  8.3440  13.62779       13.36457  
1 1 1 0   50  29 o 14.125  6.4475  -104.2221  219.240  -72.5589   416.950  -116.3219  257.748  19.987  9.0314  15.275  6.9798  4.711681       11.41413  
1 1 1 0   50  30 o 21.080  8.5064  204.426    299.615  0.0000     0.0000   204.426    299.615  ?       ?       21.080  8.5064  0.000000       8.506433  
1 1 1 0   50  31 o 20.681  8.5701  186.174    314.289  0.0000     0.0000   186.174    314.289  ?       ?       20.681  8.5701  0.000000       8.570104  
1 1 1 0   50  32 o 33.721  9.6856  847.400    372.424  0.0000     0.0000   847.400    372.424  ?       ?       33.721  9.6856  0.000000       9.685629  
1 1 1 0   50  33 o 34.912  9.2908  902.322    357.500  0.0000     0.0000   902.322    357.500  ?       ?       34.912  9.2908  0.000000       9.290850  
1 1 1 0   51  1  o 259.881 6.6181  36643.89   1862.84  39546.56   2635.86  33747.38   2633.07  269.761 9.0214  249.124 9.7583  20.63637       13.28948  
1 1 1 0   51  2  o 187.837 5.2811  19130.63   1074.44  19643.74   1514.25  18610.36   1524.77  190.232 7.3493  185.145 7.6036  5.086502       10.57481  
1 1 1 0   51  3  o 101.490 3.2664  5580.71    359.055  5833.61    616.323  5450.78    441.763  103.572 5.5139  100.288 4.0670  3.283852       6.851543  
1 1 1 0   51  4  o 305.050 7.6047  50527.98   2512.59  49404.20   3555.08  51649.58   3551.61  301.219 10.897  308.026 10.646  -6.807037      15.23373  
1 1 1 0   51  5  f 128.082 4.2720  8891.91    592.639  8801.04    845.530  8979.67    830.897  127.368 6.1291  128.660 5.9626  -1.292175      8.550958  
1 1 1 0   51  6  o 282.638 7.1384  43372.63   2185.25  42572.45   3093.08  44170.07   3087.76  279.644 10.212  284.872 10.007  -5.228363      14.29812  
1 1 1 0   51  7  o 259.400 5.4092  36497.59   1519.76  35610.49   1862.29  38266.23   2629.55  256.120 6.7133  265.223 9.1538  -9.103394      11.35164  
1 1 1 0   51  8  o 355.896 7.0766  68788.43   2727.83  67767.96   3341.44  70827.42   4723.24  352.984 8.7399  360.152 12.108  -7.168060      14.93309  
1 1 1 0   51  9  o 124.145 3.0282  8351.03    407.181  8319.36    578.068  8382.22    573.640  123.874 4.3085  124.343 4.2594  -0.4686356     6.058521  
1 1 1 0   51  10 o 173.696 3.5647  16352.01   670.635  16925.25   952.987  15789.62   943.920  176.646 4.9810  170.610 5.1081  6.036057       7.134618  
1 1 1 0   51  11 o 104.919 2.9338  5964.92    333.398  6435.06    481.885  5533.26    461.751  108.946 4.0838  101.020 4.2202  7.925606       5.872577  
1 1 1 0   51  12 o 81.521  2.9637  3601.31    261.688  3754.97    380.699  3463.67    360.307  83.107  4.2435  79.814  4.1825  3.292389       5.958249  
1 1 1 0   51  13 o 311.204 5.4368  52572.27   1832.57  53881.23   2594.90  51269.83   2588.42  314.698 7.6130  306.945 7.7858  7.753265       10.88928  
1 1 1 0   51  14 o 264.692 4.7324  38018.75   1356.72  39474.91   1924.83  36581.01   1912.61  269.457 6.5953  259.359 6.8086  10.09821       9.479159  
1 1 1 0   51  15 o 241.719 4.4467  31704.98   1164.17  32074.51   1650.69  31339.29   1642.11  242.884 6.2747  240.078 6.3151  2.806015       8.902400  
1 1 1 0   51  16 o 154.182 3.3429  12891.07   558.250  11640.49   1104.23  13320.44   647.026  146.184 6.9741  156.697 3.8123  -10.51317      7.948122  
1 1 1 0   51  17 o 227.642 4.4995  28148.58   1109.39  25787.49   2078.15  29089.62   1311.97  216.951 8.8439  231.292 5.2371  -14.34108      10.27825  
1 1 1 0   51  18 o 83.886  2.9122  3817.10    264.593  2984.86    511.218  4121.63    309.235  73.665  6.4729  87.149  3.2761  -13.48369      7.254748  
1 1 1 0   51  19 o 73.475  2.9556  2930.00    235.212  2690.22    451.959  3019.06    275.455  69.912  6.0276  74.556  3.4111  -4.644508      6.925874  
1 1 1 0   51  20 o 142.549 3.1955  11041.16   493.379  8794.96    975.198  11813.89   571.982  126.192 7.1645  147.390 3.5830  -21.19861      8.010483  
1 1 1 0   51  21 o 15.667  6.3733  54.508     169.706  50.421     418.195  55.314     185.683  23.097  9.7494  16.277  6.6492  6.819145       11.80092  
1 1 1 0   51  22 o 138.292 3.3199  10411.43   497.269  10948.11   998.475  10234.41   573.445  140.752 6.5496  136.984 3.8650  3.767838       7.604935  
1 1 1 0   51  23 o 164.670 3.6772  14800.11   655.850  15845.34   1519.46  14560.78   727.067  167.681 8.3663  163.174 4.1139  4.507751       9.323064  
1 1 1 0   51  24 o 44.510  4.2364  1095.42    201.768  1173.54    440.977  1074.74    226.914  44.482  9.4449  43.945  4.8481  0.5366020      10.61649  
1 1 1 0   51  25 o 17.748  6.7961  126.494    182.655  -111.6210  399.898  189.267    205.325  20.153  8.9960  19.973  7.2932  0.1799488      11.58091  
1 1 1 0   51  26 o 83.684  3.3404  3834.67    302.768  3559.97    607.850  3925.32    349.165  78.789  7.2026  84.526  3.8139  -5.737137      8.150077  
1 1 1 0   51  27 o 40.967  1.8426  912.457    81.758   935.205    86.053   701.464    262.076  41.468  1.9159  34.392  7.2633  7.076344       7.511784  
1 1 1 0   51  28 o 51.092  2.6136  1431.74    144.144  1764.01    491.565  1400.48    150.772  53.601  8.7706  50.491  2.7676  3.110352       9.196877  
1 1 1 0   51  29 o 37.689  5.8943  841.391    232.729  1115.80    463.902  749.102    269.034  40.109  10.541  34.710  7.3832  5.398945       12.86925  
1 1 1 0   51  30 o 30.191  8.8707  612.765    309.241  0.0000     0.0000   612.765    309.241  ?       ?       30.191  8.8707  0.000000       8.870743  
1 1 1 0   51  31 o 38.812  8.7209  1024.66    357.668  0.0000     0.0000   1024.66    357.668  ?       ?       38.812  8.7209  0.000000       8.720907  
1 1 1 0   51  32 o 21.107  8.6261  237.823    312.688  0.0000     0.0000   237.823    312.688  ?       ?       21.107  8.6261  0.000000       8.626106  
1 1 1 0   52  0  o 304.535 10.720  50353.27   3536.06  50353.27   3536.06  0.0000     0.0000   304.535 10.720  ?       ?       0.000000       10.72044  
1 1 1 0   52  1  o 213.370 8.1079  24727.82   1873.75  24727.82   1873.75  0.0000     0.0000   213.370 8.1079  ?       ?       0.000000       8.107905  
1 1 1 0   52  2  o 267.423 6.7895  38810.41   1966.56  39691.02   2783.09  37932.27   2779.19  270.168 9.5109  264.091 9.7162  6.077148       13.59638  
1 1 1 0   52  3  f 406.904 9.7947  90064.97   4316.70  91054.54   6105.93  89076.17   6103.55  408.240 13.809  403.742 13.958  4.497620       19.63428  
1 1 1 0   52  4  o 252.408 6.4283  34570.46   1757.39  37139.90   2488.40  32013.69   2482.25  261.395 8.7893  242.617 9.4462  18.77840       12.90275  
1 1 1 0   52  5  o 319.401 7.9265  55422.08   2742.13  54073.61   3880.70  56766.75   3875.22  314.965 11.376  322.766 11.085  -7.800781      15.88347  
1 1 1 0   52  6  o 291.826 5.9606  46206.89   1884.01  46255.17   2308.64  46110.64   3259.81  291.841 7.3037  290.971 10.344  0.8693237      12.66228  
1 1 1 0   52  7  o 237.003 4.9935  30461.28   1281.84  30194.86   1571.99  30989.96   2214.40  235.880 6.1530  238.730 8.5640  -2.850784      10.54526  
1 1 1 0   52  8  o 296.349 5.2640  47638.43   1689.61  46930.62   2390.82  48344.64   2388.11  293.891 7.5109  298.302 7.3914  -4.410217      10.53787  
1 1 1 0   52  9  o 271.736 4.8983  40047.99   1441.67  40011.47   2039.62  40084.45   2038.03  271.410 6.9383  271.659 6.9266  -0.2488098     9.803941  
1 1 1 0   52  10 o 273.405 4.9008  40544.88   1451.26  40535.96   2055.45  40553.76   2049.35  273.158 6.9474  273.221 6.9252  -0.6271362E-01 9.809439  
1 1 1 0   52  11 o 121.023 3.0501  7937.06    399.809  8491.28    578.261  7429.49    553.390  125.138 4.2664  117.050 4.3651  8.088577       6.103765  
1 1 1 0   52  12 o 68.969  2.6034  2577.33    194.477  2712.54    341.073  2512.20    236.730  70.578  4.4851  68.083  3.2103  2.494553       5.515612  
1 1 1 0   52  13 o 161.566 3.4901  14150.88   610.739  14751.36   868.952  13564.65   858.573  164.880 4.8658  158.099 5.0139  6.780746       6.986844  
1 1 1 0   52  14 o 63.367  2.5168  2175.82    172.738  2223.34    349.631  2160.48    198.680  63.794  5.1028  63.137  2.9054  0.6572075      5.871934  
1 1 1 0   52  15 o 303.978 5.2985  50192.64   1744.48  52807.07   2471.75  47597.92   2462.41  311.365 7.3293  295.522 7.6931  15.84265       10.62557  
1 1 1 0   52  16 o 113.354 3.0273  6966.72    371.680  6631.82    736.580  7081.12    430.509  110.217 6.1953  114.260 3.4787  -4.042290      7.105182  
1 1 1 0   52  17 o 227.609 4.2423  28136.93   1045.82  25579.94   2084.14  28997.47   1209.06  215.957 8.9102  230.964 4.8332  -15.00668      10.13669  
1 1 1 0   52  18 o 138.491 3.1832  10408.86   477.487  10104.48   946.041  10512.90   553.106  136.009 6.4220  139.133 3.6704  -3.123642      7.396893  
1 1 1 0   52  19 o 203.264 4.1838  22481.29   921.088  21259.16   1735.15  22960.81   1086.87  196.364 8.1584  205.243 4.8892  -8.879028      9.511247  
1 1 1 0   52  20 o 70.647  2.4642  2708.54    188.557  2205.42    431.744  2827.12    209.604  63.057  6.4107  72.162  2.6817  -9.105667      6.949021  
1 1 1 0   52  21 o 82.456  3.1840  3697.66    284.360  3959.03    600.199  3622.01    322.900  84.488  6.6116  81.554  3.6556  2.934280       7.554915  
1 1 1 0   52  22 o 122.635 3.1947  8186.01    424.339  8575.37    870.292  8064.57    486.026  124.383 6.4825  121.619 3.6897  2.763474       7.458944  
1 1 1 0   52  23 o 98.421  3.1163  5276.17    332.199  5627.53    684.138  5167.77    380.005  100.569 6.3128  97.310  3.6055  3.258560       7.269823  
1 1 1 0   52  24 o 63.371  3.4425  2199.47    235.394  1905.53    499.843  2283.24    266.836  57.434  8.2738  64.483  3.8379  -7.048729      9.120629  
1 1 1 0   52  25 o 112.046 3.1003  6855.22    376.245  6986.50    769.016  6813.91    431.403  111.466 6.3965  111.558 3.5704  -0.9213257E-01 7.325512  
1 1 1 0   52  26 o 83.853  3.3467  3851.85    303.953  3607.21    606.090  3934.05    351.327  79.290  7.1338  84.593  3.8345  -5.302345      8.099055  
1 1 1 0   52  27 o 91.704  3.3849  4617.00    336.207  4099.98    652.844  4803.62    392.216  84.153  7.2329  93.341  3.8796  -9.187920      8.207675  
1 1 1 0   52  28 o 53.498  4.5163  1611.10    259.246  1168.28    492.430  1780.90    304.924  41.917  10.784  55.989  5.0837  -14.07132      11.92237  
1 1 1 0   52  29 o 19.615  7.5775  186.271    228.470  213.055    433.661  175.981    268.799  23.508  9.9258  20.164  8.0852  3.343559       12.80199  
1 1 1 0   52  30 o 17.047  7.7614  -86.1490   315.143  0.0000     0.0000   -86.1490   315.143  ?       ?       17.047  7.7614  0.000000       7.761408  
1 1 1 0   52  31 o 40.374  7.8807  1068.87    332.246  0.0000     0.0000   1068.87    332.246  ?       ?       40.374  7.8807  0.000000       7.880655  
1 1 1 0   52  32 o 14.497  6.9774  -325.6235  323.152  0.0000     0.0000   -325.6235  323.152  ?       ?       14.497  6.9774  0.000000       6.977434  
1 1 1 0   53  1  o 211.564 4.6028  24263.52   1054.70  25249.70   1292.73  22300.18   1824.01  215.773 5.5315  202.596 8.3124  13.17647       9.984617  
1 1 1 0   53  2  o 223.419 5.8860  27076.87   1424.34  28600.49   2016.86  25560.89   2011.79  229.449 8.1156  216.876 8.5645  12.57365       11.79885  
1 1 1 0   53  3  f 215.120 5.7400  25101.71   1337.40  25689.71   1897.13  24520.80   1885.65  217.456 8.0548  212.439 8.1951  5.016632       11.49089  
1 1 1 0   53  4  o 363.194 8.8057  71717.46   3463.98  73902.27   4901.29  69537.05   4896.33  368.000 12.297  356.883 12.667  11.11691       17.65404  
1 1 1 0   53  5  o 220.648 4.7739  26397.40   1140.89  25951.80   1398.83  27282.77   1971.77  218.708 5.9051  224.062 8.1249  -5.354263      10.04414  
1 1 1 0   53  6  o 129.923 3.6078  9147.94    507.692  8440.57    626.505  10500.93   866.461  124.770 4.6360  139.123 5.7501  -14.35350      7.386254  
1 1 1 0   53  7  o 246.988 5.2163  33088.38   1395.44  32494.20   1710.19  34271.99   2413.75  244.659 6.4538  250.993 8.8789  -6.334702      10.97663  
1 1 1 0   53  8  o 95.887  2.8296  4981.62    293.871  5641.82    414.994  4317.58    416.200  102.024 3.7555  89.239  4.3060  12.78510       5.713619  
1 1 1 0   53  9  o 288.359 5.1146  45105.49   1597.42  46195.94   2260.02  44016.83   2258.17  291.593 7.1559  284.610 7.3255  6.982544       10.24060  
1 1 1 0   53  10 o 286.921 5.1011  44660.71   1585.24  44040.64   2242.48  45280.11   2241.27  284.665 7.2732  288.658 7.1687  -3.992615      10.21221  
1 1 1 0   53  11 o 153.408 3.3314  12755.07   553.543  13330.12   785.561  12187.96   780.123  156.771 4.6264  149.895 4.8051  6.875671       6.670316  
1 1 1 0   53  12 o 221.365 4.1575  26573.48   996.821  26101.71   1412.66  27041.34   1406.80  219.236 5.9491  223.161 5.8203  -3.924423      8.322730  
1 1 1 0   53  13 o 202.399 3.9407  22215.06   863.880  22729.23   1227.63  21710.69   1215.87  204.591 5.5400  199.948 5.6144  4.643875       7.887522  
1 1 1 0   53  14 o 261.946 4.7028  37238.66   1334.24  39214.62   1892.86  35287.39   1881.01  268.544 6.5078  254.691 6.8188  13.85252       9.425870  
1 1 1 0   53  15 f 217.577 4.1511  25687.49   978.250  25893.33   1390.27  25485.64   1376.74  218.232 5.8818  216.508 5.8709  1.723251       8.310450  
1 1 1 0   53  16 o 72.856  3.5828  2879.68    282.719  3014.07    476.188  2806.52    351.344  74.182  5.9773  71.743  4.5450  2.439301       7.509032  
1 1 1 0   53  17 o 186.168 3.8405  18818.25   774.406  17555.67   1468.91  19304.24   911.341  179.145 7.5705  188.471 4.4644  -9.326126      8.788800  
1 1 1 0   53  18 o 95.244  2.9481  4922.22    304.119  4096.83    578.362  5237.65    357.539  86.383  6.2233  98.219  3.3609  -11.83648      7.072859  
1 1 1 0   53  19 o 179.148 3.6290  17447.40   704.155  15293.59   1397.10  18180.84   815.281  166.597 7.7427  182.774 4.1183  -16.17717      8.769825  
1 1 1 0   53  20 o 143.971 3.3631  11271.33   524.422  12241.72   1164.60  11024.52   587.340  148.941 7.2192  142.303 3.8107  6.638184       8.163265  
1 1 1 0   53  21 o 39.351  4.8425  859.455    202.041  1010.33    454.327  822.262    225.573  41.481  10.187  38.321  5.6001  3.160553       11.62445  
1 1 1 0   53  22 o 88.683  2.7353  4275.76    262.736  5294.96    636.746  4066.63    288.435  97.775  6.0423  86.441  3.0807  11.33327       6.782383  
1 1 1 0   53  23 o 137.193 3.2463  10259.13   482.384  11101.72   992.280  9998.37    552.001  141.361 6.4809  135.287 3.7672  6.074570       7.496214  
1 1 1 0   53  24 o 68.002  3.4428  2532.59    252.747  2644.71    535.401  2500.44    286.704  68.177  7.3677  67.451  3.9416  0.7257385      8.355761  
1 1 1 0   53  25 o 60.462  2.4340  1990.14    159.396  2522.26    498.629  1929.57    168.223  66.480  7.0316  59.511  2.6098  6.968914       7.500344  
1 1 1 0   53  26 o 46.292  4.6178  1197.48    228.442  804.748    458.223  1327.38    263.526  35.927  10.857  48.609  5.0804  -12.68216      11.98700  
1 1 1 0   53  27 o 34.841  6.1054  705.541    221.996  473.996    441.182  784.043    256.887  29.069  10.679  36.523  6.7423  -7.454206      12.62935  
1 1 1 0   53  28 o 65.500  3.8393  2390.33    271.186  1671.34    536.529  2637.04    314.287  50.678  10.129  68.594  4.2513  -17.91567      10.98486  
1 1 1 0   53  29 o 31.203  7.8519  622.998    265.154  0.0000     0.0000   622.998    265.154  ?       ?       31.203  7.8519  0.000000       7.851929  
1 1 1 0   53  30 o 21.891  8.5873  256.517    296.917  0.0000     0.0000   256.517    296.917  ?       ?       21.891  8.5873  0.000000       8.587309  
1 1 1 0   53  31 o 20.241  8.6077  152.747    330.008  0.0000     0.0000   152.747    330.008  ?       ?       20.241  8.6077  0.000000       8.607718  
1 1 1 0   53  32 o 22.263  8.7694  304.090    310.853  0.0000     0.0000   304.090    310.853  ?       ?       22.263  8.7694  0.000000       8.769423  
1 1 1 0   54  0  o 102.739 4.0220  5718.51    447.551  5890.31    626.861  5539.88    639.184  104.102 5.5799  100.928 5.8725  3.174393       8.100727  
1 1 1 0   54  1  o 105.555 4.0500  6038.78    463.020  6350.23    649.429  5716.78    660.325  108.060 5.5677  102.479 5.9750  5.581100       8.166996  
1 1 1 0   54  2  o 327.177 8.0639  58160.98   2857.59  58326.07   4043.12  57996.19   4039.38  327.105 11.412  326.174 11.434  0.9304504      16.15446  
1 1 1 0   54  3  o 242.058 6.2753  31795.39   1645.23  32431.92   2329.36  31161.74   2324.07  244.229 8.8058  239.381 8.9637  4.847641       12.56547  
1 1 1 0   54  4  o 246.417 5.1911  32930.73   1385.48  33493.85   1698.18  31809.68   2396.04  248.430 6.3111  241.823 9.1480  6.607117       11.11379  
1 1 1 0   54  5  f 286.326 5.8755  44481.70   1822.11  44139.05   2232.85  45164.73   3152.50  285.083 7.2313  287.986 10.107  -2.902435      12.42738  
1 1 1 0   54  6  o 126.277 3.0241  8640.01    413.615  9172.80    591.898  8131.56    578.222  130.080 4.2011  122.470 4.3591  7.610069       6.053997  
1 1 1 0   54  7  o 85.113  2.8152  3925.00    259.523  3866.10    375.168  3979.05    359.383  84.450  4.1016  85.679  3.8727  -1.229332      5.641002  
1 1 1 0   54  8  o 206.512 4.2334  23121.40   946.907  23792.36   1262.79  22259.51   1431.23  209.402 5.5677  202.472 6.5264  6.930511       8.578695  
1 1 1 0   54  9  o 212.796 4.0476  24548.87   932.889  24393.51   1318.92  24704.42   1319.69  212.006 5.7438  213.356 5.7108  -1.349426      8.099660  
1 1 1 0   54  10 o 350.906 6.0835  66854.41   2312.13  68009.02   3270.73  65701.05   3268.97  353.486 8.5428  347.407 8.6877  6.079529       12.18422  
1 1 1 0   54  11 o 223.007 4.5080  26973.28   1088.86  27246.15   1450.15  26620.60   1648.64  224.004 5.9771  221.323 6.8775  2.681458       9.111823  
1 1 1 0   54  12 o 406.805 6.9330  89974.88   3054.76  88755.52   4322.40  91191.63   4317.76  403.218 9.8973  408.762 9.7525  -5.543457      13.89489  
1 1 1 0   54  13 o 370.450 6.3337  74588.59   2541.31  74128.20   3594.88  75048.50   3593.03  368.626 9.0038  370.925 8.9434  -2.299255      12.69071  
1 1 1 0   54  14 o 179.808 3.7652  17534.63   733.280  17878.41   991.841  17120.21   1088.98  181.456 5.0466  177.505 5.6642  3.950165       7.586283  
1 1 1 0   54  15 o 106.812 3.0485  6185.50    352.680  6870.95    520.171  5602.33    479.801  112.514 4.2685  101.592 4.3604  10.92150       6.101901  
1 1 1 0   54  16 o 115.599 3.4860  7250.02    436.464  7731.11    757.307  7010.74    534.088  119.173 5.8671  113.618 4.3401  5.555183       7.297875  
1 1 1 0   54  17 o 72.712  2.9792  2868.14    234.623  2988.80    472.231  2828.59    270.353  73.802  5.9585  72.188  3.4578  1.613861       6.889106  
1 1 1 0   54  18 o 121.496 3.0481  8012.22    401.108  7120.08    785.210  8327.22    466.577  113.918 6.3897  123.818 3.4791  -9.900124      7.275463  
1 1 1 0   54  19 o 108.507 2.9155  6393.23    342.642  5861.49    678.423  6575.32    396.996  103.259 6.0930  109.996 3.3322  -6.737213      6.944655  
1 1 1 0   54  20 o 36.271  1.7928  713.338    70.432   564.029    441.419  717.238    71.346   32.260  10.768  36.370  1.8112  -4.109303      10.91916  
1 1 1 0   54  21 o 20.659  6.9458  222.367    183.684  270.571    424.280  211.248    203.770  26.526  10.304  20.732  7.3026  5.794189       12.62937  
1 1 1 0   54  22 o 99.824  3.1455  5425.80    340.091  5734.12    706.693  5332.88    387.971  101.552 6.4585  98.879  3.6227  2.673508       7.405160  
1 1 1 0   54  23 o 30.859  5.9760  544.335    192.522  546.911    456.823  543.778    212.296  31.625  10.946  30.712  6.5802  0.9136448      12.77195  
1 1 1 0   54  24 o 71.440  2.5491  2777.74    197.240  3055.61    565.909  2739.32    210.435  73.351  7.2165  70.917  2.7397  2.433983       7.719042  
1 1 1 0   54  25 o 100.075 3.1523  5473.02    341.677  5650.77    705.560  5418.56    390.523  100.012 6.5496  99.431  3.6262  0.5817795      7.486449  
1 1 1 0   54  26 o 32.924  2.8474  596.438    100.538  1017.05    450.784  574.421    103.135  40.367  10.282  32.281  2.9835  8.085564       10.70615  
1 1 1 0   54  27 o 19.224  7.4509  154.297    221.466  -451.3146  414.325  396.540    262.042  16.992  8.1035  25.901  8.2734  -8.908810      11.58086  
1 1 1 0   54  28 o 55.082  4.6078  1718.34    272.378  2091.46    506.521  1566.55    323.064  58.199  8.2679  51.893  5.8499  6.305660       10.12818  
1 1 1 0   54  29 o 26.740  1.6735  391.251    48.224   0.0000     0.0000   391.251    48.224   ?       ?       26.740  1.6735  0.000000       1.673472  
1 1 1 0   54  30 o 19.011  8.2656  65.822     317.354  0.0000     0.0000   65.822     317.354  ?       ?       19.011  8.2656  0.000000       8.265594  
1 1 1 0   54  31 o 41.989  7.5798  1145.81    332.036  0.0000     0.0000   1145.81    332.036  ?       ?       41.989  7.5798  0.000000       7.579847  
1 1 1 0   54  32 o 20.302  8.4523  195.581    307.757  0.0000     0.0000   195.581    307.757  ?       ?       20.302  8.4523  0.000000       8.452324  
1 1 1 0   55  1  o 147.112 4.5371  11732.83   722.927  12055.82   1024.82  11412.91   1019.95  149.047 6.3483  145.011 6.4939  4.035675       9.081359  
1 1 1 0   55  2  f 29.003  6.6947  474.944    206.038  609.198    295.239  347.482    287.673  32.847  8.2963  26.053  8.6926  6.793583       12.01627  
1 1 1 0   55  3  o 56.452  2.9320  1731.28    178.656  1617.17    244.460  1862.10    261.739  54.461  4.1761  58.464  4.1606  -4.002872      5.894971  
1 1 1 0   55  4  o 331.593 5.7500  59653.91   2065.13  61129.48   2921.64  58180.58   2919.42  335.378 8.0431  327.161 8.2388  8.217865       11.51387  
1 1 1 0   55  5  o 150.405 3.2614  12258.22   531.293  12376.94   753.795  12141.03   748.951  151.086 4.6064  149.639 4.6210  1.447388       6.524772  
1 1 1 0   55  6  o 509.228 8.5240  141031.00  4701.41  144124.30  6649.70  137939.41  6647.89  513.730 11.951  502.493 12.215  11.23727       17.08863  
1 1 1 0   55  7  o 257.627 4.6809  35991.78   1306.15  35508.85   1847.99  36473.87   1846.37  255.716 6.6722  259.178 6.5773  -3.461426      9.369095  
1 1 1 0   55  8  o 67.095  2.8977  2439.21    210.579  2484.48    296.270  2392.98    299.362  67.575  4.0669  66.304  4.1901  1.270393       5.839200  
1 1 1 0   55  9  o 268.553 4.8462  39118.71   1409.63  40232.36   1995.68  38009.89   1991.36  272.145 6.7705  264.499 6.9511  7.645477       9.703503  
1 1 1 0   55  10 o 199.822 3.8429  21646.43   831.702  21582.25   1180.09  21709.77   1172.35  199.418 5.4636  200.011 5.4117  -0.5922394     7.690121  
1 1 1 0   55  11 o 171.178 3.5921  15884.54   665.990  15724.08   944.505  16043.21   939.222  170.223 5.1229  171.947 5.0432  -1.724152      7.188698  
1 1 1 0   55  12 o 339.488 5.8923  62601.88   2166.60  63718.63   3065.46  61487.20   3062.63  342.007 8.2754  335.931 8.4173  6.076019       11.80398  
1 1 1 0   55  13 o 203.240 3.9369  22402.37   866.635  23486.32   1231.29  21338.21   1220.00  207.958 5.4666  198.197 5.6832  9.760712       7.885564  
1 1 1 0   55  14 o 238.023 4.4274  30748.09   1141.39  30872.82   1617.75  30624.47   1610.61  238.247 6.2692  237.288 6.2668  0.9597931      8.864300  
1 1 1 0   55  15 o 214.217 4.0935  24906.10   949.765  25314.70   1351.77  24507.73   1334.73  215.729 5.7853  212.260 5.8057  3.469589       8.196078  
1 1 1 0   55  16 o 126.455 3.6168  8678.57    495.368  8212.81    875.362  8897.99    600.830  122.532 6.6204  127.984 4.3344  -5.452179      7.913023  
1 1 1 0   55  17 o 65.130  3.1113  2301.88    219.478  2255.93    432.857  2317.78    254.639  63.969  6.3305  65.232  3.6183  -1.262424      7.291602  
1 1 1 0   55  18 o 171.609 3.5482  16002.33   659.500  16692.86   1317.33  15771.37   761.848  174.436 6.9725  170.264 4.1312  4.171249       8.104463  
1 1 1 0   55  19 o 76.415  2.9636  3171.59    245.281  3239.60    466.777  3145.65    288.292  76.731  5.6564  76.058  3.4996  0.6729126      6.651502  
1 1 1 0   55  20 o 25.753  6.5826  379.232    184.304  737.364    429.143  298.237    204.084  35.729  10.436  23.293  7.2842  12.43588       12.72697  
1 1 1 0   55  21 o 101.546 3.0689  5609.15    337.528  5429.75    708.626  5661.80    383.871  98.889  6.6548  101.957 3.4761  -3.067734      7.507954  
1 1 1 0   55  22 o 74.241  3.3336  3003.63    268.057  3569.34    574.944  2846.51    303.004  79.916  6.7043  72.089  3.8952  7.827400       7.753713  
1 1 1 0   55  23 o 58.266  3.9456  1865.88    247.531  1914.63    520.175  1851.61    281.438  57.515  8.6154  57.910  4.5229  -0.3948402     9.730505  
1 1 1 0   55  24 o 41.583  4.7261  964.820    209.079  678.215    483.811  1030.64    231.845  33.980  11.270  42.898  5.0891  -8.917812      12.36568  
1 1 1 0   55  25 o ?       ?       -334.5071  30.834   -515.1353  452.101  -333.6631  30.906   17.764  8.4699  ?       ?       0.000000       8.469918  
1 1 1 0   55  26 o 58.577  4.1211  1901.55    259.797  2293.85    522.881  1772.96    299.362  62.594  7.8878  56.262  4.9635  6.331619       9.319509  
1 1 1 0   55  27 o 20.906  7.5680  225.782    220.400  701.996    446.658  72.512     253.398  33.167  10.820  18.333  7.6543  14.83386       13.25396  
1 1 1 0   55  28 o 61.304  4.0381  2109.60    266.627  2123.07    526.714  2104.96    309.164  58.090  8.6341  60.843  4.7286  -2.753231      9.844109  
1 1 1 0   55  29 o 27.096  8.9701  479.503    306.553  0.0000     0.0000   479.503    306.553  ?       ?       27.096  8.9701  0.000000       8.970131  
1 1 1 0   55  30 o 29.941  8.8405  612.205    306.470  0.0000     0.0000   612.205    306.470  ?       ?       29.941  8.8405  0.000000       8.840521  
1 1 1 0   55  31 o 25.524  8.9913  448.953    308.915  0.0000     0.0000   448.953    308.915  ?       ?       25.524  8.9913  0.000000       8.991318  
1 1 1 0   55  32 o 20.808  8.7356  206.169    332.796  0.0000     0.0000   206.169    332.796  ?       ?       20.808  8.7356  0.000000       8.735609  
1 1 1 0   56  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   56  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 0   56  2  o 120.547 3.4463  7874.65    449.969  8511.54    548.630  6565.79    786.490  125.311 4.0422  109.777 6.6461  15.53445       7.778793  
1 1 1 0   56  3  o 435.425 7.3135  102982.30  3449.15  102945.30  4878.37  103019.40  4877.28  434.694 10.361  434.852 10.355  -0.1580200     14.64902  
1 1 1 0   56  4  o 375.847 6.4342  76680.38   2619.25  79183.28   3705.04  74179.78   3703.32  381.509 8.9664  369.203 9.2610  12.30640       12.89036  
1 1 1 0   56  5  o 208.025 3.9590  23456.97   892.014  24444.36   1266.21  22484.14   1256.84  212.268 5.5075  203.566 5.7004  8.701645       7.926324  
1 1 1 0   56  6  o 184.942 3.6737  18538.09   735.876  19707.61   1043.55  17381.31   1037.85  190.617 5.0545  178.997 5.3532  11.62022       7.362439  
1 1 1 0   56  7  o 126.080 3.0125  8613.52    411.378  9053.67    587.833  8191.05    575.904  129.226 4.1998  122.912 4.3260  6.314468       6.029335  
1 1 1 0   56  8  o 239.792 4.4384  31179.79   1152.74  30166.19   1631.26  32190.83   1629.20  235.699 6.3899  243.501 6.1773  -7.802505      8.887671  
1 1 1 0   56  9  o 278.606 4.9930  42108.50   1506.68  42156.64   2131.59  42060.44   2129.95  278.525 7.0659  278.207 7.0686  0.3183289      9.994596  
1 1 1 0   56  10 o 310.874 5.8517  52470.46   1970.30  52102.24   2594.38  52972.24   3028.59  309.486 7.7397  311.822 8.9674  -2.336060      11.84550  
1 1 1 0   56  11 o 249.547 4.5493  33781.57   1229.60  34386.24   1742.33  33181.61   1735.52  251.563 6.3946  247.106 6.4845  4.457336       9.107099  
1 1 1 0   56  12 o 139.415 3.2466  10535.78   490.242  10235.17   702.574  10821.04   684.397  137.340 4.7231  141.230 4.4741  -3.890335      6.505793  
1 1 1 0   56  13 o 264.905 4.7975  38092.04   1376.50  37649.91   1950.10  38531.05   1943.24  263.045 6.8447  266.124 6.7418  -3.079132      9.607380  
1 1 1 0   56  14 o 50.263  3.6948  1377.72    199.735  1204.44    295.240  1523.97    271.221  46.686  5.9759  52.760  4.7987  -6.074619      7.664142  
1 1 1 0   56  15 o 60.796  2.4675  2003.37    162.478  2059.03    327.856  1985.26    187.065  61.352  4.9767  60.511  2.8542  0.8413544      5.737063  
1 1 1 0   56  16 o 69.689  3.1436  2634.81    237.285  2536.96    352.602  2715.80    320.793  68.134  4.8089  70.577  4.2158  -2.443016      6.395184  
1 1 1 0   56  17 o 82.643  3.0031  3706.34    268.816  3171.44    561.107  3865.68    306.249  75.812  6.9093  84.380  3.3509  -8.567734      7.678960  
1 1 1 0   56  18 o 186.131 3.9051  18844.44   787.261  18380.77   1505.82  19018.84   923.530  182.713 7.6091  186.841 4.5636  -4.128143      8.872692  
1 1 1 0   56  19 o 124.265 3.1060  8391.14    418.039  7701.62    822.462  8631.33    485.419  118.217 6.4477  125.964 3.5580  -7.746674      7.364264  
1 1 1 0   56  20 o 95.433  2.8524  4948.89    294.835  4200.00    675.995  5124.82    327.641  86.837  7.2538  97.083  3.1159  -10.24617      7.894684  
1 1 1 0   56  21 o 4.7266  2.2392  -37.1176   30.602   349.920    416.601  -39.2173   30.685   27.698  10.339  4.6747  2.2226  23.02308       10.57541  
1 1 1 0   56  22 o 214.204 4.1020  25092.36   951.681  26309.40   1917.20  24694.42   1096.28  216.222 8.1865  212.135 4.7713  4.087051       9.475469  
1 1 1 0   56  23 o 100.340 3.1195  5489.37    339.028  6014.24    715.289  5337.30    385.023  103.734 6.3976  98.831  3.5969  4.903168       7.339363  
1 1 1 0   56  24 o 58.880  2.4051  1886.52    153.382  1505.44    523.303  1922.34    160.428  49.956  10.020  59.426  2.4925  -9.469845      10.32555  
1 1 1 0   56  25 o 50.400  4.1684  1408.34    225.507  1517.12    508.338  1381.69    251.622  49.966  9.7431  49.754  4.7260  0.2116508      10.82879  
1 1 1 0   56  26 o 24.816  1.2106  334.073    32.538   347.637    459.975  334.004    32.620   27.342  10.699  24.814  1.2137  2.528715       10.76736  
1 1 1 0   56  27 o 21.003  7.7808  222.029    235.056  195.399    476.241  230.605    270.270  24.845  10.441  21.826  8.2885  3.018389       13.33097  
1 1 1 0   56  28 o 79.967  3.7028  3563.69    320.707  3682.57    632.738  3522.58    372.036  77.579  7.6289  78.965  4.3669  -1.385574      8.790287  
1 1 1 0   56  29 o 35.044  9.2786  832.243    357.730  0.0000     0.0000   832.243    357.730  ?       ?       35.044  9.2786  0.000000       9.278580  
1 1 1 0   56  30 o 47.441  7.4660  1430.48    370.947  0.0000     0.0000   1430.48    370.947  ?       ?       47.441  7.4660  0.000000       7.465952  
1 1 1 0   56  31 o 30.129  9.4161  662.875    341.094  0.0000     0.0000   662.875    341.094  ?       ?       30.129  9.4161  0.000000       9.416136  
1 1 1 0   57  1  o 297.626 7.4430  48120.32   2399.32  47709.39   3393.61  48531.02   3392.68  295.883 10.589  298.437 10.496  -2.553253      14.90972  
1 1 1 0   57  2  o 179.121 5.0888  17400.84   987.266  16864.35   1390.40  17946.38   1402.09  176.203 7.2854  181.780 7.1213  -5.576874      10.18773  
1 1 1 0   57  3  o 158.743 3.7827  13657.94   650.371  14837.26   794.567  11263.78   1132.12  165.429 4.4345  143.816 7.2918  21.61302       8.534395  
1 1 1 0   57  4  o 310.228 5.4212  52209.74   1821.56  52729.93   2576.04  51689.54   2576.10  311.506 7.6351  308.407 7.7120  3.099060       10.85222  
1 1 1 0   57  5  o 149.020 3.2645  12033.86   526.903  12537.25   753.857  11553.06   736.745  152.057 4.5773  145.964 4.6602  6.093689       6.532155  
1 1 1 0   57  6  o 198.476 3.8702  21353.22   831.974  21664.32   1180.65  21046.35   1172.57  199.825 5.4551  196.952 5.4968  2.873413       7.744192  
1 1 1 0   57  7  o 179.520 3.6462  17467.88   708.964  17096.91   1006.36  17833.41   998.934  177.523 5.2339  181.315 5.0867  -3.792252      7.298517  
1 1 1 0   57  8  o 94.579  2.8735  4846.99    294.363  4656.95    422.367  5026.48    410.472  92.677  4.2077  96.291  3.9358  -3.613991      5.761529  
1 1 1 0   57  9  o 91.512  2.9608  4538.10    293.465  4736.55    413.130  4335.98    416.942  93.465  4.0810  89.420  4.3050  4.045570       5.931898  
1 1 1 0   57  10 o 218.279 4.1163  25836.72   973.176  26419.39   1379.92  25260.15   1372.67  220.585 5.7757  215.681 5.8760  4.903549       8.239335  
1 1 1 0   57  11 o 42.049  2.0809  957.881    94.772   1059.07    276.348  944.393    100.891  43.753  5.9887  41.690  2.2426  2.062290       6.394842  
1 1 1 0   57  12 o 241.943 4.4787  31760.11   1173.64  31981.68   1664.06  31540.79   1655.54  242.558 6.3341  240.879 6.3456  1.679382       8.965851  
1 1 1 0   57  13 o 86.160  2.9746  4024.12    277.596  4225.43    397.881  3833.20    387.485  88.249  4.1627  83.940  4.2762  4.308388       5.967708  
1 1 1 0   57  14 o 137.292 3.2878  10221.94   488.903  10209.40   684.082  10235.04   698.986  137.117 4.6062  137.282 4.7010  -0.1643524     6.581512  
1 1 1 0   57  15 o 54.695  3.6056  1630.41    212.398  1612.50    326.189  1643.59    279.857  54.143  5.6454  54.788  4.7634  -0.6455650     7.386509  
1 1 1 0   57  16 o 94.816  2.8678  4876.49    294.511  5086.77    463.909  4734.51    381.176  96.730  4.4279  93.371  3.7692  3.359863       5.814898  
1 1 1 0   57  17 o 21.183  6.0708  250.903    146.456  312.712    301.145  231.755    167.613  25.269  8.8796  20.775  6.6148  4.493637       11.07263  
1 1 1 0   57  18 o 110.704 2.9928  6655.43    358.849  6471.80    713.577  6717.58    415.165  108.526 6.0954  111.169 3.4480  -2.642921      7.003006  
1 1 1 0   57  19 o 80.723  2.9769  3540.60    260.279  3905.27    565.955  3442.78    293.116  84.083  6.2593  79.560  3.4015  4.522301       7.123866  
1 1 1 0   57  20 o 16.230  6.4262  80.590     167.727  -7.9229    421.355  97.257     182.838  22.357  9.6219  17.162  6.7366  5.194687       11.74576  
1 1 1 0   57  21 o 48.270  4.1234  1282.08    213.510  1794.77    479.817  1155.51    238.414  56.082  8.1368  45.653  4.8981  10.42858       9.497294  
1 1 1 0   57  22 f 119.174 3.1284  7737.15    403.804  9066.69    842.636  7340.80    460.073  127.962 6.0798  115.954 3.6633  12.00714       7.098142  
1 1 1 0   57  23 o 46.126  1.8626  1155.12    93.054   1057.90    477.144  1158.96    94.876   41.769  10.545  46.201  1.8960  -4.431606      10.71437  
1 1 1 0   57  24 o 46.973  4.1256  1221.28    207.769  1445.14    491.762  1172.64    229.234  49.064  9.5975  45.879  4.6786  3.185715       10.67719  
1 1 1 0   57  25 o 50.599  3.8209  1414.59    207.857  1058.89    509.598  1485.57    227.655  40.964  11.175  51.786  4.0922  -10.82190      11.90113  
1 1 1 0   57  26 o 25.810  7.7540  394.254    234.227  -326.0057  472.543  628.857    269.689  19.572  9.1206  32.308  7.7963  -12.73583      11.99866  
1 1 1 0   57  27 o 30.478  2.1452  509.308    70.363   1019.78    494.277  498.749    71.087   38.817  11.161  30.150  2.1919  8.666275       11.37407  
1 1 1 0   57  28 o 60.342  4.2341  2057.89    274.973  1962.65    576.369  2085.95    312.874  53.925  10.243  60.382  4.8243  -6.457222      11.32198  
1 1 1 0   57  29 o 44.818  7.4274  1256.41    347.918  0.0000     0.0000   1256.41    347.918  ?       ?       44.818  7.4274  0.000000       7.427356  
1 1 1 0   57  30 o 29.746  9.2046  620.161    326.853  0.0000     0.0000   620.161    326.853  ?       ?       29.746  9.2046  0.000000       9.204597  
1 1 1 0   57  31 o 42.045  7.7976  1167.53    342.019  0.0000     0.0000   1167.53    342.019  ?       ?       42.045  7.7976  0.000000       7.797649  
1 1 1 0   58  0  o 253.312 6.5228  34792.39   1789.62  35579.71   2530.49  34004.56   2531.31  256.012 9.1259  250.267 9.3384  5.745224       13.05708  
1 1 1 0   58  1  o 356.746 8.6999  69223.73   3361.57  70774.37   4755.18  67674.64   4752.79  359.962 12.197  351.924 12.469  8.038696       17.44227  
1 1 1 0   58  2  o 345.316 8.4391  64844.70   3156.35  67080.36   4465.76  62613.05   4461.75  350.536 11.762  338.568 12.167  11.96817       16.92310  
1 1 1 0   58  3  o 410.332 9.8768  91707.99   4389.57  88563.23   6206.71  94854.96   6208.88  401.989 14.255  416.187 13.774  -14.19821      19.82254  
1 1 1 0   58  4  f 208.646 5.6528  23621.08   1277.44  23270.57   1802.69  23974.64   1810.49  206.888 8.0448  210.003 7.9598  -3.115051      11.31710  
1 1 1 0   58  5  o 114.138 2.9395  7058.82    363.391  7162.02    516.331  6957.53    511.529  114.939 4.1476  113.285 4.1690  1.653374       5.880678  
1 1 1 0   58  6  o 353.139 6.0799  67695.52   2325.49  68676.56   3290.70  66716.78   3286.80  355.278 8.5516  350.150 8.6666  5.127991       12.17541  
1 1 1 0   58  7  o 232.201 4.3191  29235.19   1086.24  29616.93   1536.29  28853.56   1536.07  233.571 6.0727  230.534 6.1519  3.037109       8.644265  
1 1 1 0   58  8  o 88.098  2.8804  4205.56    274.842  3973.90    395.178  4422.60    382.504  85.607  4.2620  90.320  3.9100  -4.712914      5.783844  
1 1 1 0   58  9  o 211.741 4.0353  24310.01   925.440  24589.88   1310.15  24031.32   1307.39  212.828 5.6836  210.392 5.7373  2.435944       8.075879  
1 1 1 0   58  10 o 119.461 3.0315  7734.28    392.246  7761.24    557.271  7707.81    552.202  119.623 4.3011  119.211 4.2767  0.4114532      6.065468  
1 1 1 0   58  11 o 75.105  3.0692  3057.34    249.674  2946.02    365.474  3154.76    341.889  73.543  4.6116  76.153  4.1608  -2.609909      6.211169  
1 1 1 0   58  12 o 277.923 4.9770  41934.87   1498.17  41653.29   2120.15  42215.70   2117.33  276.636 7.0760  278.509 7.0191  -1.872559      9.966794  
1 1 1 0   58  13 o 119.910 3.1348  7795.56    407.135  7081.39    579.549  8491.42    572.076  114.205 4.6853  125.090 4.2224  -10.88425      6.307188  
1 1 1 0   58  14 o 358.404 6.1642  69932.08   2392.88  70575.80   3385.56  69289.50   3382.52  359.112 8.7042  355.793 8.7775  3.319000       12.36159  
1 1 1 0   58  15 o 185.340 3.6917  18646.56   741.082  18947.15   1057.02  18355.95   1039.30  186.607 5.2298  183.673 5.2243  2.933441       7.392142  
1 1 1 0   58  16 o 129.919 3.1398  9160.02    441.824  9731.99    634.854  8622.80    615.273  133.780 4.3814  125.910 4.5117  7.869766       6.289005  
1 1 1 0   58  17 o 165.011 3.5808  14796.66   639.966  14752.86   1228.57  14812.96   749.710  163.996 6.9167  164.996 4.1952  -0.9995270     8.089505  
1 1 1 0   58  18 o 35.385  4.4231  692.884    165.813  1094.80    325.885  552.485    192.609  44.075  7.0652  31.262  5.9048  12.81350       9.207816  
1 1 1 0   58  19 o 138.883 3.2443  10488.79   488.016  10192.28   995.282  10582.64   559.948  135.977 6.7579  139.415 3.7082  -3.438187      7.708425  
1 1 1 0   58  20 o 133.830 3.2710  9747.05    474.142  8720.00    956.381  10081.74   545.961  125.276 7.0774  136.014 3.7060  -10.73779      7.988971  
1 1 1 0   58  21 o 69.107  2.5028  2595.11    187.332  2975.00    548.354  2544.92    199.324  72.834  7.0389  68.417  2.6898  4.416878       7.535306  
1 1 1 0   58  22 o 93.916  3.1881  4807.38    324.293  4796.62    678.937  4810.57    369.122  92.530  6.8227  93.858  3.6310  -1.328773      7.728699  
1 1 1 0   58  23 o 103.102 3.2172  5801.98    359.262  6610.18    739.559  5552.35    411.016  108.681 6.3099  100.713 3.7679  7.967690       7.349295  
1 1 1 0   58  24 o 68.291  3.5031  2559.90    258.241  2575.59    562.607  2555.71    290.671  66.714  7.9422  68.110  3.9573  -1.396049      8.873487  
1 1 1 0   58  25 o 48.865  4.2964  1327.14    225.078  1599.42    508.747  1260.88    250.976  51.403  9.4874  47.418  4.9601  3.984562       10.70575  
1 1 1 0   58  26 o 14.185  6.4296  -100.2986  213.248  -58.5313   450.310  -112.3730  242.118  21.564  9.5915  15.078  6.8412  6.485668       11.78130  
1 1 1 0   58  27 o 17.848  7.2797  101.181    222.154  152.576    474.226  86.731     251.451  23.928  10.251  18.344  7.6390  5.583803       12.78390  
1 1 1 0   58  28 o 16.127  2.3008  145.251    39.050   0.0000     0.0000   145.251    39.050   ?       ?       16.127  2.3008  0.000000       2.300850  
1 1 1 0   58  29 o 24.074  9.0172  349.434    317.406  0.0000     0.0000   349.434    317.406  ?       ?       24.074  9.0172  0.000000       9.017225  
1 1 1 0   58  30 o 18.770  8.1925  65.847     314.384  0.0000     0.0000   65.847     314.384  ?       ?       18.770  8.1925  0.000000       8.192539  
1 1 1 0   58  31 o 26.283  9.5488  491.398    351.332  0.0000     0.0000   491.398    351.332  ?       ?       26.283  9.5488  0.000000       9.548803  
1 1 1 0   59  1  o 65.396  2.9032  2317.15    205.635  2569.25    282.521  2033.12    299.878  68.743  3.8094  61.064  4.5672  7.679443       5.947274  
1 1 1 0   59  2  o 139.398 3.6235  10531.65   547.093  9816.85    946.615  10890.16   670.395  134.467 6.4996  141.725 4.3673  -7.258789      7.830605  
1 1 1 0   59  3  o 53.971  4.2381  1588.91    245.747  1654.03    337.724  1515.62    358.262  54.909  5.7647  52.445  6.4426  2.464703       8.645129  
1 1 1 0   59  4  o 261.043 6.6931  37006.14   1892.40  37158.14   2679.07  36854.79   2673.44  261.214 9.4693  260.143 9.4883  1.071381       13.40503  
1 1 1 0   59  5  o 157.552 4.7425  13462.05   809.282  13600.47   1144.01  13323.40   1144.98  158.248 6.6745  156.623 6.7495  1.625259       9.492399  
1 1 1 0   59  6  o 105.131 2.9051  5988.88    330.803  6323.50    478.163  5681.70    458.133  107.999 4.0878  102.370 4.1319  5.628426       5.812245  
1 1 1 0   59  7  o 319.531 5.5471  55410.49   1919.77  56631.86   2717.75  54194.11   2712.20  322.702 7.7757  315.653 7.9331  7.048798       11.10832  
1 1 1 0   59  8  o 330.424 5.7441  59270.88   2055.72  60554.57   2907.94  57988.44   2906.51  333.592 8.0482  326.414 8.2212  7.178619       11.50484  
1 1 1 0   59  9  o 320.308 5.6251  55702.35   1951.52  54711.77   2760.51  56691.99   2759.20  317.031 8.0393  322.747 7.8932  -5.716125      11.26643  
1 1 1 0   59  10 o 149.075 3.2923  12046.21   531.585  12231.12   757.664  11866.94   746.020  150.145 4.6590  147.893 4.6573  2.252090       6.587611  
1 1 1 0   59  11 o 247.956 4.5545  33361.38   1223.17  33299.70   1731.06  33422.89   1728.59  247.481 6.4580  247.942 6.4368  -0.4605713     9.118046  
1 1 1 0   59  12 o 265.349 4.7639  38223.72   1369.14  39436.63   1940.29  37020.86   1932.24  269.215 6.6542  260.804 6.8403  8.410980       9.542996  
1 1 1 0   59  13 o 186.856 3.7420  18941.74   757.324  18802.09   1076.98  19078.34   1065.16  185.995 5.3461  187.369 5.2486  -1.373535      7.491909  
1 1 1 0   59  14 o 78.003  3.0925  3299.82    261.269  3289.31    384.405  3308.84    356.187  77.676  4.5895  77.945  4.2350  -0.2693939     6.244878  
1 1 1 0   59  15 o 155.979 3.4151  13204.84   576.962  13176.47   821.181  13232.49   810.813  155.635 4.8715  155.975 4.7995  -0.3406830     6.838613  
1 1 1 0   59  16 o 128.415 3.1836  8951.72    442.796  9173.49    643.241  8751.98    610.461  129.832 4.5743  126.831 4.4439  3.000397       6.377451  
1 1 1 0   59  17 o 13.607  5.9241  -28.9871   163.473  77.678     283.374  -82.1898   200.132  19.965  8.1916  14.241  6.3599  5.724372       10.37064  
1 1 1 0   59  18 o 102.511 2.9208  5707.95    324.298  5649.96    652.625  5726.96    373.701  101.339 5.9723  102.632 3.3618  -1.292557      6.853444  
1 1 1 0   59  19 o 115.229 3.1024  7218.69    387.196  7861.18    786.588  7013.23    444.821  119.433 6.1010  113.497 3.6185  5.935791       7.093383  
1 1 1 0   59  20 o 44.969  4.1830  1113.69    201.400  812.678    504.145  1170.85    219.692  37.347  11.411  46.067  4.4588  -8.719921      12.25114  
1 1 1 0   59  21 o 121.065 3.1393  7981.35    411.647  8138.38    845.614  7932.58    471.255  121.011 6.4752  120.588 3.6081  0.4227982      7.412612  
1 1 1 0   59  22 f 163.230 3.4957  14546.30   618.016  14892.95   1255.90  14435.53   709.919  163.118 7.1086  162.390 4.0363  0.7281952      8.174549  
1 1 1 0   59  23 o 60.083  3.6040  1981.94    233.450  2601.02    530.028  1832.94    260.031  67.520  7.3672  57.631  4.1946  9.889046       8.477622  
1 1 1 0   59  24 o 48.541  4.3086  1307.75    224.171  789.085    501.229  1437.44    250.635  35.878  11.441  50.824  4.6030  -14.94659      12.33179  
1 1 1 0   59  25 o 68.938  3.6191  2616.42    269.280  2449.06    573.118  2663.84    305.048  64.446  8.4112  69.410  4.0755  -4.963516      9.346549  
1 1 1 0   59  26 o 69.209  2.7384  2620.67    205.271  2697.09    267.187  2510.58    320.670  69.887  3.5414  67.050  4.4407  2.836319       5.679889  
1 1 1 0   59  27 o 16.124  7.0407  -4.7131    232.415  -317.3704  479.593  91.249     265.698  19.206  9.0268  18.714  7.8277  0.4922695      11.94804  
1 1 1 0   59  28 o 12.733  6.1231  -310.9823  247.547  0.0000     0.0000   -310.9823  247.547  ?       ?       12.733  6.1231  0.000000       6.123100  
1 1 1 0   59  29 o 19.516  8.3133  107.374    308.752  0.0000     0.0000   107.374    308.752  ?       ?       19.516  8.3133  0.000000       8.313257  
1 1 1 0   59  30 f 35.636  9.4020  902.117    368.149  0.0000     0.0000   902.117    368.149  ?       ?       35.636  9.4020  0.000000       9.402000  
1 1 1 0   59  31 o 42.863  7.7938  1210.96    348.501  0.0000     0.0000   1210.96    348.501  ?       ?       42.863  7.7938  0.000000       7.793790  
1 1 1 0   60  0  o 523.181 12.389  148929.70  7020.46  148068.80  9929.90  149790.00  9926.97  520.424 17.616  523.470 17.509  -3.046021      24.83734  
1 1 1 0   60  1  o 256.839 4.6506  35771.49   1293.71  36443.09   1830.90  35101.81   1828.28  259.072 6.5249  254.248 6.6392  4.823914       9.308765  
1 1 1 0   60  2  f 81.926  2.7451  3636.56    243.583  3791.92    344.928  3482.01    344.029  83.640  3.8075  80.146  3.9632  3.493706       5.495811  
1 1 1 0   60  3  f 158.965 3.8779  13697.95   667.684  12733.63   1153.83  14183.43   818.679  153.107 6.9578  161.723 4.6738  -8.615891      8.381879  
1 1 1 0   60  4  o 160.463 4.8149  13964.79   836.823  14274.69   1190.70  13662.33   1176.32  162.116 6.7812  158.596 6.8480  3.519958       9.637426  
1 1 1 0   60  5  o 280.943 7.0996  42886.55   2160.33  42176.37   3054.68  43597.19   3055.67  278.128 10.140  282.804 9.9759  -4.676636      14.22474  
1 1 1 0   60  6  o 143.332 4.5409  11141.43   704.951  11407.32   998.451  10877.13   995.458  144.933 6.3605  141.516 6.4945  3.416519       9.090333  
1 1 1 0   60  7  o 80.450  2.9407  3507.28    256.245  3479.05    381.154  3530.55    346.142  79.973  4.4175  80.696  3.9603  -0.7234421     5.932818  
1 1 1 0   60  8  o 226.205 4.2206  27748.93   1034.06  28313.46   1465.66  27189.42   1459.12  228.340 5.9262  223.752 6.0208  4.588242       8.448083  
1 1 1 0   60  9  o 232.382 4.3164  29289.65   1086.42  30240.31   1539.96  28347.65   1532.93  235.950 6.0258  228.428 6.1959  7.522675       8.642915  
1 1 1 0   60  10 o 73.208  2.5887  2904.16    205.262  2891.26    343.354  2911.33    256.055  72.874  4.3703  73.286  3.2258  -0.4117355     5.431854  
1 1 1 0   60  11 o 88.204  3.0069  4217.13    287.258  4171.86    417.593  4257.80    395.774  87.572  4.4169  88.593  4.1246  -1.020470      6.043288  
1 1 1 0   60  12 o 58.244  3.3133  1845.42    208.152  1695.09    301.083  1983.06    288.089  55.637  5.0514  60.281  4.4437  -4.643463      6.727794  
1 1 1 0   60  13 o 152.704 3.3566  12647.87   555.164  12606.33   788.501  12688.70   781.782  152.332 4.7790  152.835 4.7227  -0.5025024     6.718884  
1 1 1 0   60  14 o 100.989 2.9002  5530.98    317.224  5562.14    476.564  5506.19    425.081  101.183 4.3485  100.704 3.8972  0.4786530      5.839342  
1 1 1 0   60  15 o 68.510  3.1328  2546.96    232.462  2562.19    347.347  2534.61    312.853  68.467  4.7126  68.154  4.2595  0.3135300      6.352366  
1 1 1 0   60  16 o 157.717 3.5206  13513.81   601.397  13630.93   829.003  13383.70   873.771  158.175 4.8389  156.672 5.1491  1.503082       7.066028  
1 1 1 0   60  17 o 127.650 3.5971  8860.24    497.330  8722.04    854.082  8931.14    611.741  126.136 6.2516  128.029 4.4115  -1.893555      7.651401  
1 1 1 0   60  18 o 143.503 3.2459  11195.80   504.511  10417.61   1007.42  11456.30   582.869  137.535 6.7628  145.077 3.7094  -7.541473      7.713314  
1 1 1 0   60  19 o 110.999 3.0342  6698.69    364.783  6428.27    749.812  6782.54    417.524  107.809 6.4510  111.627 3.4534  -3.817314      7.317145  
1 1 1 0   60  20 o 30.777  5.4895  535.812    176.278  930.786    401.280  441.365    196.225  39.806  9.4488  27.699  6.6291  12.10723       11.54227  
1 1 1 0   60  21 o 49.148  4.0619  1329.48    214.286  1000.90    447.377  1427.31    244.110  41.004  10.132  50.851  4.4779  -9.846115      11.07741  
1 1 1 0   60  22 o 50.246  2.3399  1372.42    127.338  975.396    480.100  1402.46    132.068  40.132  10.805  50.788  2.4009  -10.65541      11.06860  
1 1 1 0   60  23 o 81.096  3.1882  3591.15    280.035  4256.06    608.762  3412.68    315.385  86.937  6.5124  78.945  3.6885  7.992149       7.484374  
1 1 1 0   60  24 o 64.617  3.5654  2295.43    248.565  1327.27    558.030  2535.07    277.629  45.956  11.292  67.851  3.7930  -21.89478      11.91194  
1 1 1 0   60  25 o 44.991  2.3861  1106.26    115.860  1384.76    509.069  1091.04    118.983  47.129  10.264  44.665  2.4691  2.464310       10.55636  
1 1 1 0   60  26 o 44.552  1.8629  1080.49    89.895   1124.67    95.622   744.511    263.706  45.443  1.9428  35.222  7.1566  10.22092       7.415589  
1 1 1 0   60  27 o 37.617  6.1251  840.561    240.967  1096.76    511.809  767.598    273.133  39.272  11.376  35.234  7.3929  4.037632       13.56722  
1 1 1 0   60  28 o 58.324  6.3806  2031.68    396.491  0.0000     0.0000   2031.68    396.491  ?       ?       58.324  6.3806  0.000000       6.380578  
1 1 1 0   60  29 o 22.675  8.8729  287.024    316.384  0.0000     0.0000   287.024    316.384  ?       ?       22.675  8.8729  0.000000       8.872940  
1 1 1 0   60  30 f 28.451  9.3238  575.930    331.511  0.0000     0.0000   575.930    331.511  ?       ?       28.451  9.3238  0.000000       9.323787  
1 1 1 0   60  31 o 37.472  8.5223  963.564    338.078  0.0000     0.0000   963.564    338.078  ?       ?       37.472  8.5223  0.000000       8.522318  
1 1 1 0   61  1  o 109.199 2.8803  6461.06    340.669  6386.63    480.382  6536.37    483.188  108.539 4.0863  109.805 4.0628  -1.265694      5.762294  
1 1 1 0   61  2  o 247.192 4.5257  33134.14   1211.68  33733.28   1713.60  32535.04   1713.56  249.260 6.3472  244.782 6.4632  4.478561       9.058742  
1 1 1 0   61  3  o 320.604 5.5998  55777.88   1944.51  54749.47   2751.02  56804.68   2748.87  317.299 8.0049  323.225 7.8520  -5.925934      11.21303  
1 1 1 0   61  4  f 329.521 5.7135  58932.29   2039.18  60403.41   2886.10  57465.79   2881.57  333.262 7.9957  325.024 8.1855  8.237976       11.44259  
1 1 1 0   61  5  o 257.348 6.6159  35974.24   1844.07  35238.68   2607.39  36710.39   2608.43  254.302 9.4664  259.590 9.2773  -5.287659      13.25451  
1 1 1 0   61  6  o 146.620 4.5910  11659.69   729.076  12246.17   1033.01  11077.58   1029.14  150.157 6.3517  142.793 6.6542  7.364288       9.199060  
1 1 1 0   61  7  o 226.231 6.0013  27793.70   1470.50  27727.76   2078.83  27859.73   2080.37  225.648 8.5059  226.187 8.4919  -0.5384369     12.01921  
1 1 1 0   61  8  o 173.227 4.1559  16273.56   779.739  16044.95   954.832  16731.20   1350.97  171.944 5.1271  175.410 7.1109  -3.466034      8.766493  
1 1 1 0   61  9  o 278.703 4.9860  42155.90   1505.08  42766.89   2130.84  41547.58   2126.18  280.419 7.0157  276.378 7.1027  4.041046       9.983450  
1 1 1 0   61  10 o 223.107 4.2149  27003.41   1018.52  27346.46   1443.99  26663.74   1436.85  224.329 5.9430  221.505 5.9890  2.823822       8.437325  
1 1 1 0   61  11 o 169.888 3.6397  15652.85   669.724  16195.84   906.722  15000.99   993.480  172.713 4.8471  166.157 5.5204  6.556091       7.346336  
1 1 1 0   61  12 o 144.849 3.4699  11379.83   544.388  11323.24   748.552  11443.36   793.142  144.389 4.7865  145.130 5.0457  -0.7404480     6.954853  
1 1 1 0   61  13 o 61.863  2.4527  2074.44    164.344  2248.60    326.977  2015.58    190.100  64.154  4.7392  60.969  2.8788  3.185757       5.545027  
1 1 1 0   61  14 o 125.476 3.1141  8541.67    423.212  8726.55    608.793  8368.78    588.735  126.710 4.4360  124.091 4.3804  2.619034       6.234222  
1 1 1 0   61  15 o 224.419 4.2162  27384.67   1024.83  28210.98   1455.96  26573.24   1442.80  227.338 5.9130  220.603 6.0384  6.734772       8.451385  
1 1 1 0   61  16 o 112.871 3.0016  6916.67    366.949  6876.43    527.408  6954.42    510.876  112.389 4.3326  113.046 4.1724  -0.6569748     6.015046  
1 1 1 0   61  17 o 72.584  3.5257  2864.96    277.176  2543.87    504.912  3003.47    331.611  67.646  6.9923  74.146  4.1459  -6.500023      8.128964  
1 1 1 0   61  18 o 49.926  2.0952  1352.13    113.295  1564.47    440.128  1337.06    117.245  52.557  7.9829  49.643  2.1806  2.913441       8.275357  
1 1 1 0   61  19 o 62.301  2.4371  2107.64    164.454  1855.72    553.168  2132.06    172.242  56.781  9.3180  62.654  2.5382  -5.873486      9.657529  
1 1 1 0   61  20 o 83.894  2.7245  3826.42    247.564  3508.69    584.246  3895.95    273.314  79.237  6.8759  84.620  2.9821  -5.383461      7.494690  
1 1 1 0   61  21 o 60.215  2.4355  1970.70    158.840  2279.10    488.027  1934.16    167.987  63.496  7.2249  59.639  2.6006  3.857189       7.678681  
1 1 1 0   61  22 o 102.319 3.1401  5710.32    347.995  5574.26    706.098  5753.97    399.939  99.700  6.5758  102.594 3.5992  -2.894455      7.496294  
1 1 1 0   61  23 o 38.090  5.1751  817.212    207.975  1401.13    454.817  662.838    233.856  48.595  8.9718  33.828  6.6196  14.76633       11.14953  
1 1 1 0   61  24 o 56.144  2.2966  1715.86    139.656  1516.02    523.916  1731.15    144.899  49.806  10.058  56.384  2.3727  -6.577686      10.33443  
1 1 1 0   61  25 o 73.725  3.6245  2989.69    289.421  2688.58    600.655  3080.74    330.292  67.277  8.4280  74.571  4.1052  -7.293251      9.374602  
1 1 1 0   61  26 f 13.397  2.6973  101.781    37.785   -351.7369  476.219  104.654    37.904   19.102  8.9833  13.594  2.6697  5.508121       9.371639  
1 1 1 0   61  27 o 53.959  4.4696  1652.26    258.863  1111.01    555.105  1802.68    292.629  38.849  11.991  56.147  4.8599  -17.29858      12.93857  
1 1 1 0   61  28 o 48.295  7.4567  1449.44    377.485  0.0000     0.0000   1449.44    377.485  ?       ?       48.295  7.4567  0.000000       7.456700  
1 1 1 0   61  29 o 41.765  7.9352  1128.55    345.834  0.0000     0.0000   1128.55    345.834  ?       ?       41.765  7.9352  0.000000       7.935220  
1 1 1 0   61  30 f 20.060  8.8986  72.093     385.081  0.0000     0.0000   72.093     385.081  ?       ?       20.060  8.8986  0.000000       8.898648  
1 1 1 0   62  0  o 184.837 5.1881  18518.43   1038.65  19092.63   1471.61  17948.48   1466.15  187.603 7.2424  181.886 7.4423  5.716782       10.38463  
1 1 1 0   62  1  o 90.719  2.8233  4459.27    277.410  4576.73    394.618  4344.50    390.056  91.882  3.9653  89.520  4.0229  2.362793       5.648637  
1 1 1 0   62  2  o 162.799 3.4230  14364.32   603.568  14042.68   852.189  14688.07   854.967  160.901 4.8900  164.562 4.7968  -3.660858      6.849884  
1 1 1 0   62  3  o 233.968 4.3483  29683.16   1101.91  30057.88   1558.91  29308.98   1557.78  235.292 6.1171  232.336 6.1904  2.956757       8.702842  
1 1 1 0   62  4  o 97.686  2.8569  5170.69    302.271  5218.90    432.190  5124.53    422.913  98.111  4.0671  97.221  4.0162  0.8897324      5.715908  
1 1 1 0   62  5  o 327.459 5.7055  58207.77   2023.56  58512.00   2863.13  57904.14   2860.38  327.927 8.0611  326.213 8.0956  1.714417       11.42455  
1 1 1 0   62  6  o 92.966  4.1519  4686.68    418.065  5056.99    612.930  4364.52    571.688  96.325  5.9034  89.457  5.9340  6.867180       8.370317  
1 1 1 0   62  7  o 187.013 5.2686  18982.29   1067.18  18384.93   1508.59  19580.64   1509.84  183.829 7.5768  189.738 7.3469  -5.909683      10.55394  
1 1 1 0   62  8  o 255.240 6.5841  35410.63   1820.18  35457.37   2572.89  35363.81   2575.35  254.940 9.3178  254.599 9.3392  0.3408661      13.19249  
1 1 1 0   62  9  o 136.913 4.4742  10170.63   663.487  10268.78   937.202  10072.01   939.425  137.446 6.2955  136.117 6.3721  1.329376       8.957505  
1 1 1 0   62  10 o 184.204 3.7057  18401.79   739.338  17730.75   1043.87  19077.24   1047.30  180.677 5.3343  187.429 5.1590  -6.752747      7.420878  
1 1 1 0   62  11 f 114.919 3.0910  7160.11    384.735  7214.15    555.544  7110.29    533.329  115.282 4.4492  114.458 4.3021  0.8241119      6.188997  
1 1 1 0   62  12 o 165.858 3.5219  14923.22   632.673  15060.49   905.624  14792.35   884.230  166.471 5.0227  164.991 4.9481  1.480118       7.050603  
1 1 1 0   62  13 o 168.740 3.4951  15451.42   638.779  15358.77   911.397  15540.88   895.552  168.051 5.0072  169.061 4.8908  -1.009750      6.999409  
1 1 1 0   62  14 o 52.974  3.4789  1529.95    198.498  1465.60    295.246  1583.03    268.145  51.599  5.3612  53.750  4.6518  -2.150967      7.097999  
1 1 1 0   62  15 o 187.048 3.7875  19015.03   767.321  18572.84   1088.20  19452.29   1082.13  184.510 5.4453  188.866 5.2900  -4.356842      7.591790  
1 1 1 0   62  16 o 227.702 4.2737  28233.32   1054.02  27926.03   1495.90  28536.29   1485.37  225.812 6.1162  228.311 6.0067  -2.499207      8.572544  
1 1 1 0   62  17 o 128.993 3.5687  9051.52    498.593  8682.91    857.900  9239.53    612.691  125.585 6.3274  130.185 4.3452  -4.599869      7.675719  
1 1 1 0   62  18 o 96.610  3.0160  5073.15    315.586  5110.62    663.585  5062.20    358.754  96.147  6.4090  96.453  3.4341  -0.3067627     7.271021  
1 1 1 0   62  19 o 165.086 3.4677  14844.34   620.042  15528.34   1253.62  14622.83   713.413  167.422 6.9133  163.687 4.0240  3.735840       7.999119  
1 1 1 0   62  20 o 87.691  3.1086  4186.40    295.251  3428.47    616.635  4411.85    336.308  78.096  7.3774  89.966  3.4513  -11.87015      8.144804  
1 1 1 0   62  21 o 143.725 3.3088  11265.62   515.086  11250.93   1044.12  11270.34   592.157  142.047 6.7865  143.593 3.8075  -1.545471      7.781612  
1 1 1 0   62  22 o 109.129 3.1089  6496.77    367.467  6379.29    754.144  6533.35    420.801  106.621 6.5623  109.313 3.5541  -2.692368      7.462956  
1 1 1 0   62  23 o 94.880  2.8956  4911.52    297.569  4821.83    669.860  4933.56    332.140  92.291  6.7480  95.007  3.2277  -2.715729      7.480195  
1 1 1 0   62  24 o 54.452  3.9965  1639.80    234.056  1160.54    597.107  1726.80    254.416  42.448  12.285  55.813  4.2403  -13.36526      12.99623  
1 1 1 0   62  25 o 39.313  5.3953  882.122    223.674  589.515    499.379  955.557    250.172  31.520  11.394  40.775  5.8307  -9.255571      12.79966  
1 1 1 0   62  26 o 23.081  7.7001  312.576    225.731  562.196    485.890  243.873    254.909  30.059  11.177  21.698  8.0900  8.360706       13.79734  
1 1 1 0   62  27 o 48.741  2.3296  1301.33    122.982  1215.93    539.911  1306.00    126.302  40.969  11.627  48.814  2.3889  -7.845348      11.87016  
1 1 1 0   62  28 o 25.971  9.3218  430.249    333.532  0.0000     0.0000   430.249    333.532  ?       ?       25.971  9.3218  0.000000       9.321815  
1 1 1 0   62  29 o 27.719  9.2404  528.914    325.099  0.0000     0.0000   528.914    325.099  ?       ?       27.719  9.2404  0.000000       9.240423  
1 1 1 0   62  30 o 21.815  8.8144  255.331    322.147  0.0000     0.0000   255.331    322.147  ?       ?       21.815  8.8144  0.000000       8.814376  
1 1 1 0   63  1  o 69.682  2.8439  2631.02    214.638  2487.38    301.082  2779.47    306.068  67.606  4.1316  71.492  3.9683  -3.885803      5.728637  
1 1 1 0   63  2  o 261.843 4.7398  37188.28   1344.22  37457.05   1903.09  36920.68   1898.94  262.582 6.6915  260.691 6.7253  1.890991       9.487165  
1 1 1 0   63  3  o 198.612 3.8689  21385.37   832.267  21665.28   1178.88  21107.24   1175.13  199.803 5.4475  197.208 5.5016  2.594131       7.742315  
1 1 1 0   63  4  o 237.166 4.3840  30504.35   1126.13  30766.41   1594.58  30243.59   1590.61  238.015 6.1855  235.980 6.2232  2.035065       8.774328  
1 1 1 0   63  5  o 295.513 5.2230  47391.94   1671.74  47600.97   2366.00  47183.55   2362.41  295.854 7.3836  294.550 7.4050  1.303650       10.45714  
1 1 1 0   63  6  o 65.771  3.0326  2344.38    216.030  2289.92    324.745  2387.60    289.336  64.804  4.6578  66.232  4.0528  -1.428017      6.174170  
1 1 1 0   63  7  o 489.916 11.720  131481.41  6219.03  133001.30  8795.45  129961.80  8794.62  489.955 16.574  484.194 16.770  5.760468       23.57814  
1 1 1 0   63  8  o 115.836 4.2236  7278.46    529.905  7417.49    747.694  7138.16    751.116  116.695 5.9352  114.454 6.0809  2.240814       8.497301  
1 1 1 0   63  9  o 178.158 5.1347  17234.45   990.816  17475.48   1406.55  16997.03   1395.96  179.164 7.2483  176.689 7.2945  2.475601       10.28333  
1 1 1 0   63  10 o 226.122 6.0285  27803.92   1476.45  28466.16   2091.49  27146.07   2084.56  228.347 8.4565  222.952 8.6324  5.395157       12.08433  
1 1 1 0   63  11 o 223.081 4.2250  27013.20   1020.85  26420.42   1445.51  27603.02   1441.89  220.350 6.0567  225.253 5.9100  -4.903183      8.462420  
1 1 1 0   63  12 o 201.891 3.9326  22126.42   859.930  22959.16   1222.44  21310.66   1209.91  205.422 5.4943  197.884 5.6451  7.537750       7.877447  
1 1 1 0   63  13 o 104.355 3.0340  5907.55    342.921  6009.14    502.862  5819.23    468.848  105.148 4.4155  103.493 4.1827  1.655724       6.082026  
1 1 1 0   63  14 o 45.771  2.0738  1135.65    102.810  1026.05    262.150  1155.57    111.763  42.991  5.7761  46.167  2.2351  -3.176491      6.193429  
1 1 1 0   63  15 o 57.713  3.3444  1815.29    208.161  1669.16    310.880  1934.06    280.263  55.063  5.2774  59.446  4.3837  -4.383881      6.860607  
1 1 1 0   63  16 o 146.522 3.3688  11668.69   534.617  11630.89   745.263  11708.77   767.345  146.031 4.7119  146.492 4.8362  -0.4604187     6.752107  
1 1 1 0   63  17 o 15.069  6.2375  34.462     166.212  128.259    256.229  -33.6809   218.395  20.114  7.9494  15.758  6.8540  4.355886       10.49617  
1 1 1 0   63  18 o 54.698  3.6940  1636.99    217.563  1436.42    467.896  1692.32    245.745  49.962  8.9765  55.552  4.1135  -5.590179      9.874143  
1 1 1 0   63  19 o 35.467  4.8824  701.774    182.583  941.448    415.290  644.347    203.284  40.006  9.6874  33.765  5.7656  6.241001       11.27336  
1 1 1 0   63  20 o 64.869  3.4227  2300.31    239.629  2592.04    505.864  2215.91    272.094  67.921  6.9755  63.561  3.9723  4.359879       8.027209  
1 1 1 0   63  21 o 67.810  3.4172  2515.89    250.174  2455.94    521.798  2533.79    285.075  65.752  7.4589  67.949  3.8897  -2.196892      8.412163  
1 1 1 0   63  22 o 30.637  1.7629  511.238    58.251   428.540    419.051  512.867    58.822   28.748  10.431  30.685  1.7775  -1.937033      10.58130  
1 1 1 0   63  23 o 55.927  3.8602  1724.82    232.397  1655.55    488.219  1745.12    264.256  52.866  8.8384  56.113  4.3828  -3.246426      9.865400  
1 1 1 0   63  24 o 57.385  3.8756  1819.68    239.471  1890.82    497.552  1798.23    273.195  56.541  8.3781  56.857  4.4724  -0.3152466     9.497144  
1 1 1 0   63  25 o 72.810  3.6929  2932.35    290.276  2762.89    585.431  2987.60    334.258  68.047  8.1025  73.257  4.2307  -5.209869      9.140574  
1 1 1 0   63  26 f 53.429  4.3926  1611.94    251.941  765.087    546.832  1840.14    283.864  33.290  11.937  56.975  4.6403  -23.68497      12.80750  
1 1 1 0   63  27 o 36.093  6.9768  798.414    262.869  0.0000     0.0000   798.414    262.869  ?       ?       36.093  6.9768  0.000000       6.976770  
1 1 1 0   63  28 o 28.566  9.1532  548.493    320.544  0.0000     0.0000   548.493    320.544  ?       ?       28.566  9.1532  0.000000       9.153188  
1 1 1 0   63  29 o 16.155  7.5170  -162.5144  319.081  0.0000     0.0000   -162.5144  319.081  ?       ?       16.155  7.5170  0.000000       7.517012  
1 1 1 0   63  30 o 20.135  8.8577  92.033     373.940  0.0000     0.0000   92.033     373.940  ?       ?       20.135  8.8577  0.000000       8.857716  
1 1 1 0   64  0  o 400.310 9.6392  87076.56   4179.36  88308.08   5912.60  85846.79   5908.42  402.466 13.564  396.781 13.748  5.684509       19.31298  
1 1 1 0   64  1  o 42.083  3.4014  966.157    153.710  978.362    221.022  954.725    213.910  42.181  4.9309  41.674  4.8285  0.5065651      6.901369  
1 1 1 0   64  2  o 237.651 4.4060  30630.04   1134.10  30086.96   1604.77  31171.88   1602.94  235.358 6.2953  239.577 6.1774  -4.218887      8.819868  
1 1 1 0   64  3  o 140.896 3.1708  10758.86   483.872  11255.53   688.433  10273.95   680.236  144.060 4.4121  137.628 4.5634  6.431992       6.347535  
1 1 1 0   64  4  o 157.607 3.3865  13464.03   578.083  13179.39   815.452  13751.59   819.630  155.860 4.8305  159.212 4.7530  -3.352097      6.776812  
1 1 1 0   64  5  o 237.880 4.3948  30692.10   1132.31  30213.92   1601.60  31169.95   1601.05  235.832 6.2702  239.546 6.1709  -3.713791      8.797427  
1 1 1 0   64  6  o 439.781 7.4379  105226.30  3542.88  104391.70  5011.64  106060.10  5009.14  436.998 10.588  440.511 10.499  -3.512878      14.91096  
1 1 1 0   64  7  o 205.748 3.9733  22958.07   885.443  23700.08   1255.69  22224.23   1248.75  208.904 5.5496  202.279 5.6997  6.624481       7.955208  
1 1 1 0   64  8  o 288.807 5.1604  45288.91   1614.21  45064.07   2286.84  45512.18   2278.86  287.704 7.3387  289.144 7.2767  -1.439758      10.33472  
1 1 1 0   64  9  o 66.719  4.4288  2426.39    318.218  2421.83    469.486  2430.26    432.805  66.390  6.6172  66.583  6.0681  -0.1931305     8.978288  
1 1 1 0   64  10 o 26.957  7.6206  406.655    232.393  464.418    299.164  318.760    369.033  29.043  8.7717  26.775  9.7774  2.268457       13.13548  
1 1 1 0   64  11 o 119.910 4.4126  7808.48    573.085  8487.12    834.984  7204.08    787.986  124.845 6.1750  114.830 6.3605  10.01501       8.864937  
1 1 1 0   64  12 o 166.379 4.9745  15054.98   896.442  15902.78   1286.96  14255.95   1249.39  170.654 6.9627  161.542 7.1407  9.112106       9.973451  
1 1 1 0   64  13 o 69.695  3.2775  2636.27    247.410  2727.75    386.267  2572.64    322.171  70.605  5.0851  68.655  4.3551  1.950722       6.695148  
1 1 1 0   64  14 o 208.749 4.0515  23693.93   916.021  23440.97   1301.50  23942.24   1289.48  207.195 5.7996  209.432 5.6846  -2.237366      8.120957  
1 1 1 0   64  15 o 79.852  3.0216  3462.35    261.328  3337.67    382.459  3571.53    357.907  78.140  4.5385  80.908  4.0976  -2.767723      6.114620  
1 1 1 0   64  16 o 107.569 3.0048  6285.66    350.086  6429.85    512.508  6159.52    479.348  108.613 4.3566  106.335 4.1620  2.277885       6.025170  
1 1 1 0   64  17 o 74.322  2.6261  2999.36    211.397  2934.42    360.056  3033.51    261.146  73.178  4.5655  74.693  3.2280  -1.515327      5.591433  
1 1 1 0   64  18 o 129.855 3.2177  9174.75    452.553  9307.99    923.704  9132.66    519.126  129.669 6.5988  129.459 3.7023  0.2097626      7.566431  
1 1 1 0   64  19 o 49.413  2.4051  1326.24    128.718  1785.35    461.326  1287.48    134.041  56.055  7.8107  48.610  2.5549  7.444492       8.217952  
1 1 1 0   64  20 o 78.729  2.6556  3370.92    226.445  3283.40    567.944  3387.47    246.920  76.480  6.9316  78.891  2.8897  -2.411064      7.509815  
1 1 1 0   64  21 o 28.867  5.6321  476.368    169.769  422.767    413.012  487.266    186.229  28.679  10.363  29.099  6.1036  -0.4204693     12.02707  
1 1 1 0   64  22 o 63.490  3.5420  2212.17    242.600  2314.35    511.055  2182.44    275.636  63.504  7.5799  62.930  4.0657  0.5747757      8.601418  
1 1 1 0   64  23 f 55.412  3.7587  1692.20    224.247  1738.09    487.371  1679.88    252.571  54.292  8.5726  55.071  4.2677  -0.7791023     9.576173  
1 1 1 0   64  24 o 41.253  1.8752  925.296    83.785   833.982    448.419  928.600    85.287   36.396  10.679  41.324  1.9055  -4.927536      10.84733  
1 1 1 0   64  25 f 52.436  4.2462  1538.83    239.088  1455.73    495.662  1564.04    272.940  47.805  9.8987  52.614  4.8439  -4.808983      11.02030  
1 1 1 0   64  26 o 39.827  2.4731  872.572    106.156  687.241    504.493  881.159    108.587  31.825  11.460  40.012  2.5185  -8.187046      11.73365  
1 1 1 0   64  27 o 50.015  5.2996  1451.73    282.714  0.0000     0.0000   1451.73    282.714  ?       ?       50.015  5.2996  0.000000       5.299582  
1 1 1 0   64  28 o 30.175  8.7369  611.364    301.944  0.0000     0.0000   611.364    301.944  ?       ?       30.175  8.7369  0.000000       8.736872  
1 1 1 0   64  29 o 39.882  7.6976  1030.34    320.468  0.0000     0.0000   1030.34    320.468  ?       ?       39.882  7.6976  0.000000       7.697604  
1 1 1 0   65  1  o 258.483 4.6807  36243.73   1310.42  36920.77   1854.02  35567.89   1852.40  260.675 6.5667  255.839 6.6849  4.835846       9.370685  
1 1 1 0   65  2  o 195.592 3.8316  20741.34   811.721  21012.70   1147.53  20469.60   1148.36  196.759 5.3847  194.193 5.4598  2.565475       7.668375  
1 1 1 0   65  3  o 86.426  2.9062  4047.74    272.047  3918.72    379.160  4184.64    390.559  85.009  4.1180  87.846  4.1048  -2.837311      5.814450  
1 1 1 0   65  4  o 118.358 3.0171  7591.96    386.767  7578.82    547.541  7605.03    546.403  118.211 4.2765  118.416 4.2602  -0.2048721     6.036378  
1 1 1 0   65  5  o 266.261 4.7885  38468.51   1380.95  38055.08   1953.32  38881.64   1952.61  264.561 6.8168  267.430 6.7411  -2.869354      9.587040  
1 1 1 0   65  6  o 85.029  3.0006  3918.64    276.344  3996.32    401.723  3848.85    380.740  85.720  4.3410  84.236  4.1731  1.483559       6.021562  
1 1 1 0   65  7  o 122.721 3.0494  8163.38    405.320  8527.32    587.127  7832.02    560.236  125.369 4.3239  120.150 4.3050  5.218903       6.101566  
1 1 1 0   65  8  o 112.338 3.0266  6840.96    368.256  6722.45    530.130  6951.48    511.932  111.300 4.3976  113.191 4.1757  -1.891548      6.064275  
1 1 1 0   65  9  o 80.406  2.6345  3504.09    229.431  3717.91    368.872  3369.18    293.002  82.773  4.1145  78.820  3.4321  3.953262       5.358047  
1 1 1 0   65  10 o 153.268 4.7507  12760.91   788.638  12646.55   1122.69  12872.30   1108.06  152.333 6.8045  153.708 6.6557  -1.374542      9.518404  
1 1 1 0   65  11 o 40.992  6.4794  938.135    278.116  998.918    446.602  899.630    355.452  41.792  10.0000 39.786  8.5063  2.006218       13.12854  
1 1 1 0   65  12 o 144.799 4.7344  11402.52   742.510  11253.10   1071.56  11540.52   1029.82  143.510 6.8939  145.396 6.5394  -1.885696      9.502070  
1 1 1 0   65  13 f 54.719  5.3653  1647.37    313.892  1390.48    511.420  1802.63    397.590  49.291  9.9229  57.055  6.5527  -7.764687      11.89127  
1 1 1 0   65  14 o 52.892  3.5146  1526.69    200.194  1564.38    296.984  1495.31    271.027  53.303  5.2107  52.160  4.8530  1.142773       7.120659  
1 1 1 0   65  15 o 63.389  2.5129  2180.38    172.530  1930.93    341.191  2266.07    199.982  59.208  5.3792  64.604  2.8580  -5.396832      6.091262  
1 1 1 0   65  16 o 48.475  3.9073  1287.64    203.401  1366.54    315.129  1231.28    266.302  49.570  5.9910  47.157  5.3060  2.412842       8.002860  
1 1 1 0   65  17 o 95.270  3.1210  4934.98    322.050  5044.68    494.482  4854.17    424.404  96.072  4.7521  94.343  4.1534  1.729462       6.311297  
1 1 1 0   65  18 o 35.004  5.2099  686.222    191.500  501.315    429.811  732.019    213.904  30.750  10.619  36.076  5.6606  -5.325933      12.03379  
1 1 1 0   65  19 o 149.454 3.3557  12170.16   543.205  12467.49   1104.12  12075.21   623.939  149.865 6.8021  148.721 3.8735  1.144287       7.827684  
1 1 1 0   65  20 o 110.398 3.1216  6640.93    373.253  6414.99    768.127  6710.77    427.064  107.160 6.6509  110.876 3.5562  -3.715622      7.541930  
1 1 1 0   65  21 o 42.185  4.8016  992.052    215.482  1302.33    445.064  897.050    246.270  46.955  9.0797  39.798  5.8913  7.157101       10.82351  
1 1 1 0   65  22 o 22.258  7.0457  277.739    190.373  97.945     414.873  325.694    214.262  23.168  9.7414  23.940  7.4598  -0.7717266     12.26961  
1 1 1 0   65  23 o 58.579  2.3032  1867.83    146.130  1464.17    494.624  1906.43    152.957  49.174  9.6314  59.170  2.3867  -9.995434      9.922689  
1 1 1 0   65  24 o 55.656  4.0230  1718.70    240.880  1308.96    498.485  1843.52    275.136  45.578  10.336  57.499  4.4526  -11.92158      11.25408  
1 1 1 0   65  25 o 38.735  5.7060  871.189    232.220  592.328    462.831  965.008    268.457  30.679  10.984  40.510  6.3252  -9.830946      12.67525  
1 1 1 0   65  26 o 58.841  4.0833  1945.58    258.622  1825.52    527.991  1983.48    296.645  53.015  9.5461  59.086  4.6735  -6.070820      10.62873  
1 1 1 0   65  27 o 24.227  8.6781  355.266    288.921  0.0000     0.0000   355.266    288.921  ?       ?       24.227  8.6781  0.000000       8.678112  
1 1 1 0   65  28 o 23.261  8.9015  315.507    313.236  0.0000     0.0000   315.507    313.236  ?       ?       23.261  8.9015  0.000000       8.901536  
1 1 1 0   65  29 o 24.998  9.2283  411.846    330.065  0.0000     0.0000   411.846    330.065  ?       ?       24.998  9.2283  0.000000       9.228263  
1 1 1 0   66  0  o 196.217 5.4110  20874.81   1149.96  21213.82   1629.15  20538.18   1623.44  197.691 7.6086  194.512 7.7058  3.179413       10.82915  
1 1 1 0   66  1  o 100.331 2.8469  5455.00    309.373  5591.39    440.417  5322.14    434.678  101.545 4.0044  99.069  4.0510  2.476563       5.696095  
1 1 1 0   66  2  o 315.433 5.4921  54016.13   1876.35  55219.34   2654.38  52814.39   2652.75  318.550 7.6933  311.503 7.8626  7.047455       11.00034  
1 1 1 0   66  3  o 307.292 5.4035  51263.89   1798.44  51457.80   2543.97  51070.15   2542.79  307.496 7.6384  306.330 7.6639  1.165466       10.82039  
1 1 1 0   66  4  o 122.047 3.0465  8073.21    402.718  8148.58    570.551  7998.38    568.514  122.565 4.2979  121.429 4.3226  1.135986       6.095652  
1 1 1 0   66  5  o 85.382  2.9382  3951.12    271.720  3744.21    383.084  4160.61    385.467  82.969  4.2775  87.584  4.0634  -4.614952      5.899825  
1 1 1 0   66  6  o 157.236 3.3558  13403.60   571.508  13874.51   813.290  12944.23   803.271  159.889 4.6963  154.428 4.8025  5.460876       6.717065  
1 1 1 0   66  7  o 204.770 3.9178  22744.68   868.911  23443.50   1233.82  22057.06   1223.89  207.729 5.4838  201.478 5.6085  6.250854       7.843933  
1 1 1 0   66  8  o 98.780  2.9298  5289.53    313.460  5034.96    448.480  5532.67    438.295  96.318  4.2990  100.981 4.0074  -4.662750      5.877094  
1 1 1 0   66  9  o 92.887  2.9321  4677.87    294.994  4607.85    422.377  4744.54    412.177  92.133  4.2327  93.498  4.0702  -1.364799      5.872117  
1 1 1 0   66  10 o 138.907 3.2232  10466.00   484.936  10788.86   689.287  10149.59   682.371  140.926 4.5159  136.678 4.6095  4.247787       6.452920  
1 1 1 0   66  11 o 52.240  4.1935  1492.01    235.273  1826.38    468.840  1379.47    272.000  57.263  7.7592  50.101  5.0828  7.161358       9.275775  
1 1 1 0   66  12 o 132.783 4.4860  9588.37    645.167  10185.92   921.094  9012.86    903.954  136.593 6.2259  128.275 6.5279  8.318283       9.020826  
1 1 1 0   66  13 o 25.035  8.1582  333.459    253.936  552.813    444.776  227.381    309.302  32.321  10.809  23.581  8.8878  8.740067       13.99359  
1 1 1 0   66  14 o 63.067  4.8640  2181.39    329.681  2536.65    522.813  1946.86    424.783  67.555  7.2592  59.201  6.7452  8.353767       9.909232  
1 1 1 0   66  15 o 140.945 4.7331  10838.50   722.544  10551.81   1050.75  11095.66   995.173  138.279 7.0390  142.153 6.4636  -3.873337      9.556421  
1 1 1 0   66  16 o 125.280 3.1410  8531.11    426.212  8404.36    611.949  8650.51    593.963  124.095 4.5529  125.941 4.3543  -1.845543      6.299952  
1 1 1 0   66  17 o 59.876  3.8367  1961.81    247.508  1738.31    358.684  2164.97    341.974  55.910  6.0180  62.678  5.0812  -6.767921      7.876165  
1 1 1 0   66  18 o 15.842  6.3282  71.401     163.992  -41.0543   401.836  93.874     179.631  21.363  9.2944  16.951  6.6698  4.411427       11.43995  
1 1 1 0   66  19 o 44.490  4.2080  1092.07    200.367  1231.20    460.948  1059.65    222.486  45.731  9.6115  43.702  4.7782  2.028404       10.73366  
1 1 1 0   66  20 o 34.141  5.2182  656.530    186.835  534.821    428.617  685.081    207.596  31.084  10.609  34.768  5.7112  -3.683260      12.04897  
1 1 1 0   66  21 o 81.661  3.1775  3639.22    281.037  3624.91    594.239  3643.34    318.963  80.096  6.9177  81.616  3.6082  -1.520584      7.802206  
1 1 1 0   66  22 f 153.302 3.5423  12868.40   588.175  12938.53   1162.36  12844.26   681.923  151.242 7.0957  152.864 4.1187  -1.621490      8.204457  
1 1 1 0   66  23 o 38.253  4.9107  824.248    198.763  857.565    451.487  816.239    221.370  37.090  10.667  37.863  5.5639  -0.7728424     12.03131  
1 1 1 0   66  24 f 24.974  7.1842  370.615    204.756  1123.26    439.213  161.620    231.445  42.244  9.7905  19.632  7.6147  22.61233       12.40318  
1 1 1 0   66  25 o 64.448  3.7750  2313.86    262.363  2152.47    542.489  2363.14    299.750  58.734  8.7985  64.872  4.2903  -6.137474      9.788794  
1 1 1 0   66  26 o 45.171  5.4400  1185.02    260.802  1003.95    489.310  1256.87    308.235  37.689  11.181  45.995  6.3573  -8.305645      12.86215  
1 1 1 0   66  27 o 35.851  8.1352  826.983    308.652  0.0000     0.0000   826.983    308.652  ?       ?       35.851  8.1352  0.000000       8.135189  
1 1 1 0   66  28 o 16.367  7.3967  -59.9318   279.770  0.0000     0.0000   -59.9318   279.770  ?       ?       16.367  7.3967  0.000000       7.396667  
1 1 1 0   66  29 o 24.309  8.9210  381.432    307.763  0.0000     0.0000   381.432    307.763  ?       ?       24.309  8.9210  0.000000       8.921020  
1 1 1 0   67  1  o 193.527 3.7935  20308.25   795.148  20288.07   1126.45  20328.29   1122.57  193.308 5.3801  193.502 5.3562  -0.1936646     7.591777  
1 1 1 0   67  2  o 174.878 3.5610  16580.73   674.500  16990.81   955.833  16173.98   951.952  176.932 4.9878  172.618 5.0916  4.313385       7.127593  
1 1 1 0   67  3  o 131.498 3.1159  9372.65    443.780  9741.50    633.969  9018.27    621.417  134.003 4.3680  128.928 4.4500  5.074478       6.235578  
1 1 1 0   67  4  o 139.148 3.1999  10495.82   482.267  10294.94   682.959  10695.61   681.102  137.740 4.5779  140.401 4.4789  -2.660721      6.404484  
1 1 1 0   67  5  o 197.704 3.8675  21199.33   828.170  21034.95   1175.14  21361.52   1167.32  196.785 5.5135  198.315 5.4345  -1.530228      7.741634  
1 1 1 0   67  6  o 235.417 4.3652  30074.68   1113.04  30791.02   1577.07  29363.77   1571.09  237.970 6.1187  232.370 6.2424  5.599686       8.741052  
1 1 1 0   67  7  o 134.402 3.1259  9793.78    455.049  10053.88   650.266  9544.17    637.011  136.098 4.4113  132.602 4.4353  3.496460       6.255559  
1 1 1 0   67  8  o 129.115 3.0857  9039.17    431.518  8957.75    614.783  9118.24    605.833  128.449 4.4190  129.602 4.3159  -1.153107      6.176928  
1 1 1 0   67  9  o 228.210 4.2911  28280.94   1060.66  28101.80   1503.43  28458.45   1496.59  227.169 6.1103  228.620 6.0439  -1.450577      8.594484  
1 1 1 0   67  10 o 34.424  1.8475  643.973    68.631   554.435    238.768  652.037    71.655   31.244  7.2032  34.635  1.9176  -3.391409      7.454096  
1 1 1 0   67  11 o 70.811  2.5947  2719.03    198.998  3031.68    360.305  2581.79    238.710  74.540  4.4837  68.977  3.1952  5.563187       5.505663  
1 1 1 0   67  12 o 61.624  3.3574  2068.01    223.248  2133.56    336.397  2016.41    298.442  62.387  5.0209  60.703  4.5728  1.683910       6.791103  
1 1 1 0   67  13 o 97.072  4.3468  5129.07    457.020  5814.88    689.334  4591.20    610.475  102.904 6.2140  91.397  6.2036  11.50708       8.780602  
1 1 1 0   67  14 o 123.104 4.4377  8256.97    591.696  7581.48    846.366  8902.71    827.522  117.327 6.6879  127.509 5.9920  -10.18182      8.979531  
1 1 1 0   67  15 o 199.560 5.6636  21808.49   1224.16  20993.22   1747.85  22593.44   1715.05  194.565 8.2941  202.100 7.8350  -7.534531      11.40962  
1 1 1 0   67  16 o 148.043 4.8355  11979.29   775.357  12174.30   1136.58  11809.54   1060.42  148.469 7.0680  146.377 6.6886  2.092316       9.731047  
1 1 1 0   67  17 o 121.733 4.5922  8103.28    605.486  8478.19    917.504  7814.04    805.886  123.601 6.8808  118.888 6.2807  4.712967       9.316294  
1 1 1 0   67  18 o 98.455  3.6201  5285.02    386.032  5166.04    686.680  5340.00    466.775  96.373  6.6187  98.816  4.3612  -2.443146      7.926364  
1 1 1 0   67  19 o 118.898 3.1771  7702.06    409.140  7418.78    836.861  7791.04    469.014  115.309 6.7299  119.475 3.6244  -4.165497      7.643839  
1 1 1 0   67  20 o 20.961  7.0476  233.197    189.107  -304.1611  508.954  319.265    203.690  21.145  9.7158  23.755  7.2522  -2.609959      12.12396  
1 1 1 0   67  21 o 45.847  2.1701  1142.64    107.762  1328.68    461.982  1131.94    110.819  47.202  9.3669  45.626  2.2425  1.576332       9.631571  
1 1 1 0   67  22 o 46.456  4.3779  1198.84    217.683  1225.67    472.495  1191.61    245.262  44.855  9.9827  46.144  4.9867  -1.288712      11.15889  
1 1 1 0   67  23 o 34.145  5.5031  666.939    196.599  581.345    449.216  687.217    218.651  31.403  10.856  34.483  6.0763  -3.080414      12.44058  
1 1 1 0   67  24 f 32.705  1.8006  583.732    63.537   414.878    451.703  587.141    64.175   27.862  10.683  32.799  1.8135  -4.937754      10.83580  
1 1 1 0   67  25 o 47.724  4.8132  1298.00    245.394  1591.02    494.406  1202.22    282.671  49.641  9.5420  45.363  5.8923  4.278400       11.21470  
1 1 1 0   67  26 o 45.286  2.8760  1134.16    140.334  0.0000     0.0000   1134.16    140.334  ?       ?       45.286  2.8760  0.000000       2.876001  
1 1 1 0   67  27 o 17.882  7.7834  33.858     282.046  0.0000     0.0000   33.858     282.046  ?       ?       17.882  7.7834  0.000000       7.783434  
1 1 1 0   67  28 o 19.020  8.4739  12.705     353.040  0.0000     0.0000   12.705     353.040  ?       ?       19.020  8.4739  0.000000       8.473939  
1 1 1 0   67  29 o 24.723  9.2288  396.753    331.918  0.0000     0.0000   396.753    331.918  ?       ?       24.723  9.2288  0.000000       9.228767  
1 1 1 0   68  0  o 378.545 9.1701  77908.25   3759.79  79144.03   5319.60  76674.74   5314.70  380.806 12.897  374.774 13.093  6.031860       18.37857  
1 1 1 0   68  1  o 136.956 3.1581  10167.48   468.459  10064.26   659.925  10272.32   665.108  136.195 4.4737  137.596 4.4629  -1.401245      6.319088  
1 1 1 0   68  2  o 380.522 6.5179  78734.82   2686.31  79599.30   3800.59  77871.77   3797.43  381.840 9.1897  377.642 9.2841  4.197601       13.06309  
1 1 1 0   68  3  o 226.566 4.2437  27848.58   1041.39  28007.47   1475.08  27690.70   1470.43  227.010 5.9993  225.721 6.0146  1.289444       8.495093  
1 1 1 0   68  4  o 81.454  2.9960  3596.38    264.313  3354.37    381.298  3820.24    366.719  78.491  4.5040  83.919  4.0346  -5.427933      6.046822  
1 1 1 0   68  5  o 162.201 3.4320  14266.27   602.933  14567.54   858.402  13972.91   847.062  163.801 4.8384  160.419 4.8752  3.381027       6.868597  
1 1 1 0   68  6  o 157.205 3.3627  13401.53   572.567  13727.45   814.906  13083.75   804.655  159.001 4.7319  155.223 4.7861  3.777420       6.730375  
1 1 1 0   68  7  o 74.885  2.8701  3040.14    232.788  3288.71    338.317  2816.65    320.803  77.742  4.0317  71.920  4.1357  5.821678       5.775710  
1 1 1 0   68  8  o 82.630  2.9267  3702.14    261.930  3481.03    376.867  3908.75    364.303  79.945  4.3689  84.860  3.9636  -4.915283      5.898971  
1 1 1 0   68  9  o 64.789  3.3220  2283.31    232.328  2082.68    346.715  2446.81    312.989  61.655  5.2417  66.974  4.3380  -5.319469      6.803982  
1 1 1 0   68  10 o 92.011  2.9693  4592.36    295.909  4514.12    430.413  4662.48    407.486  91.137  4.3603  92.644  4.0609  -1.507446      5.958488  
1 1 1 0   68  11 o 39.745  4.0962  867.619    173.806  781.250    263.467  934.166    231.266  37.231  6.7834  41.069  5.3244  -3.837841      8.623446  
1 1 1 0   68  12 o 119.429 3.0970  7743.16    400.617  8026.93    567.830  7461.93    565.294  121.459 4.3164  117.088 4.4575  4.370972       6.204851  
1 1 1 0   68  13 o 28.951  5.5400  472.966    167.388  294.656    255.669  606.735    221.446  24.019  8.1940  32.717  6.4784  -8.698208      10.44567  
1 1 1 0   68  14 o 147.503 3.4925  11829.91   557.966  11939.06   768.470  11708.21   811.450  147.920 4.7966  146.406 5.1172  1.513062       7.013752  
1 1 1 0   68  15 o 79.407  4.4134  3449.53    378.080  3340.31    557.872  3542.30    514.170  77.626  6.7009  80.142  5.9662  -2.516296      8.972079  
1 1 1 0   68  16 o 40.546  7.1685  934.870    303.296  904.670    449.526  960.104    410.920  39.280  10.402  40.564  9.5170  -1.284344      14.09851  
1 1 1 0   68  17 o 80.604  4.5438  3563.99    395.062  3845.07    607.976  3358.56    519.747  83.087  6.8160  77.802  6.2198  5.284531       9.227321  
1 1 1 0   68  18 o 120.544 6.2529  8055.68    813.584  0.0000     0.0000   8055.68    813.584  ?       ?       120.544 6.2529  0.000000       6.252914  
1 1 1 0   68  19 o 93.348  2.8110  4742.43    284.213  5404.98    664.114  4593.88    314.465  98.517  6.2564  91.815  3.1622  6.701881       7.010099  
1 1 1 0   68  20 o 57.194  3.7760  1797.35    232.598  1424.48    501.922  1899.32    262.483  48.874  9.8225  58.714  4.1543  -9.839890      10.66486  
1 1 1 0   68  21 o 43.295  4.4255  1041.95    204.609  887.300    463.628  1079.35    228.016  38.055  10.766  43.956  4.8712  -5.901299      11.81648  
1 1 1 0   68  22 o 57.267  3.7321  1806.61    230.218  1481.59    508.351  1890.46    258.215  49.410  9.8448  58.485  4.1023  -9.074749      10.66527  
1 1 1 0   68  23 o 64.007  2.6365  2236.79    182.779  2029.59    535.437  2264.12    194.460  58.175  8.7701  64.365  2.7894  -6.190399      9.203025  
1 1 1 0   68  24 o 24.234  7.5171  350.607    217.846  585.690    444.093  276.114    249.990  30.600  10.780  22.513  8.0714  8.086622       13.46719  
1 1 1 0   68  25 o 36.022  5.8727  763.863    221.233  383.566    473.354  870.151    250.246  26.898  10.749  38.305  6.2470  -11.40711      12.43248  
1 1 1 0   68  26 f 21.847  8.5150  239.082    290.486  0.0000     0.0000   239.082    290.486  ?       ?       21.847  8.5150  0.000000       8.514981  
1 1 1 0   68  27 o 21.120  8.3291  222.242    280.725  0.0000     0.0000   222.242    280.725  ?       ?       21.120  8.3291  0.000000       8.329060  
1 1 1 0   68  28 f 52.775  6.8340  1722.94    381.467  0.0000     0.0000   1722.94    381.467  ?       ?       52.775  6.8340  0.000000       6.834009  
1 1 1 0   69  1  o 224.679 4.2114  27388.00   1024.85  27775.49   1451.43  27002.72   1447.29  226.060 5.9279  222.884 5.9952  3.176086       8.431072  
1 1 1 0   69  2  o 180.846 3.6441  17736.38   713.781  17057.20   1007.44  18421.00   1011.45  177.217 5.2486  184.183 5.0702  -6.966217      7.297589  
1 1 1 0   69  3  o 167.428 3.4835  15200.90   631.705  15420.86   894.613  14982.17   892.122  168.526 4.9012  166.106 4.9587  2.419464       6.972092  
1 1 1 0   69  4  o 189.593 3.7686  19497.90   773.869  19559.00   1095.82  19437.11   1093.02  189.735 5.3324  189.143 5.3354  0.5924988      7.543253  
1 1 1 0   69  5  o 236.105 4.3853  30259.84   1121.44  30368.98   1589.41  30151.64   1582.52  236.253 6.2114  235.407 6.2067  0.8460693      8.780870  
1 1 1 0   69  6  o 149.266 3.2784  12082.97   530.020  12421.35   755.085  11754.30   744.157  151.237 4.6097  147.114 4.6702  4.122314       6.562017  
1 1 1 0   69  7  f 129.389 3.0861  9079.04    432.499  8959.25    613.528  9197.37    609.780  128.440 4.4103  130.143 4.3260  -1.702637      6.177732  
1 1 1 0   69  8  o 75.689  3.0045  3107.02    246.303  2903.29    362.622  3281.52    335.595  72.949  4.6133  77.639  4.0045  -4.689964      6.108872  
1 1 1 0   69  9  o 167.770 3.5288  15277.39   641.226  14602.12   912.015  15937.53   901.734  163.813 5.1403  171.182 4.8635  -7.369598      7.076431  
1 1 1 0   69  10 o 177.128 3.6138  17037.19   693.301  17587.05   985.423  16498.23   975.602  179.728 5.0622  174.055 5.1751  5.673325       7.239275  
1 1 1 0   69  11 o 18.863  6.4175  179.656    156.820  237.778    257.147  145.240    197.875  22.677  8.1798  18.924  7.1135  3.752800       10.84026  
1 1 1 0   69  12 o 184.196 3.7283  18444.16   743.818  18870.62   1062.04  18033.59   1042.08  185.959 5.2729  181.783 5.2927  4.176208       7.471053  
1 1 1 0   69  13 o 153.048 3.3976  12730.53   563.207  12685.90   806.734  12772.95   786.637  152.489 4.8845  153.043 4.7456  -0.5538025     6.810231  
1 1 1 0   69  14 o 136.117 3.2311  10069.84   476.362  10226.06   685.212  9923.72    662.706  136.913 4.6207  134.892 4.5359  2.021240       6.474997  
1 1 1 0   69  15 o 96.316  3.1020  5042.66    323.601  4865.04    483.674  5186.60    435.405  94.250  4.7534  97.541  4.1213  -3.290817      6.291233  
1 1 1 0   69  16 o 90.495  4.5521  4487.12    444.750  5085.33    702.712  4087.38    574.443  95.682  6.8255  85.924  6.2145  9.758484       9.230749  
1 1 1 0   69  17 o 64.870  5.2132  2324.04    363.193  2141.56    621.504  2418.67    447.568  60.801  9.7684  65.884  6.3507  -5.082848      11.65131  
1 1 1 0   69  18 o 85.770  6.0731  4087.05    560.525  0.0000     0.0000   4087.05    560.525  ?       ?       85.770  6.0731  0.000000       6.073051  
1 1 1 0   69  19 o 26.867  7.2732  418.236    216.832  0.0000     0.0000   418.236    216.832  ?       ?       26.867  7.2732  0.000000       7.273178  
1 1 1 0   69  20 o 86.885  4.1794  4142.40    393.303  0.0000     0.0000   4142.40    393.303  ?       ?       86.885  4.1794  0.000000       4.179384  
1 1 1 0   69  21 o 72.571  3.3427  2879.50    262.742  2812.07    569.367  2897.75    296.160  69.978  7.6360  72.611  3.7789  -2.632454      8.519880  
1 1 1 0   69  22 o 53.483  4.0044  1582.41    230.284  1569.78    582.955  1584.75    250.672  50.081  11.044  53.416  4.3710  -3.334801      11.87742  
1 1 1 0   69  23 o 70.816  3.4292  2757.23    263.021  2625.51    568.069  2793.17    296.746  66.533  8.0466  71.031  3.8718  -4.498001      8.929666  
1 1 1 0   69  24 o 33.910  6.0970  678.835    215.697  118.035    464.207  833.257    243.591  23.404  10.086  37.604  6.1966  -14.20003      11.83736  
1 1 1 0   69  25 o 24.410  1.8757  326.758    49.211   292.109    457.355  327.164    49.499   25.316  10.399  24.423  1.8858  0.8928223      10.56876  
1 1 1 0   69  26 o 62.649  5.5308  2283.53    371.445  0.0000     0.0000   2283.53    371.445  ?       ?       62.649  5.5308  0.000000       5.530828  
1 1 1 0   69  27 o 44.351  6.9328  1213.17    322.128  0.0000     0.0000   1213.17    322.128  ?       ?       44.351  6.9328  0.000000       6.932827  
1 1 1 0   69  28 o 16.615  7.4548  -35.2147   278.379  0.0000     0.0000   -35.2147   278.379  ?       ?       16.615  7.4548  0.000000       7.454782  
1 1 1 0   70  0  o 338.616 8.3097  62338.50   3047.64  63380.96   4312.75  61298.70   4307.27  340.785 11.684  335.100 11.867  5.685425       16.65413  
1 1 1 0   70  1  f 115.600 2.9538  7244.23    369.838  7044.98    522.784  7443.85    523.276  113.939 4.2362  117.127 4.1248  -3.187263      5.912662  
1 1 1 0   70  2  o 218.641 4.1451  25940.29   981.614  25728.97   1388.65  26151.34   1387.78  217.526 5.8940  219.312 5.8423  -1.785950      8.298928  
1 1 1 0   70  3  o 86.073  2.8268  4015.97    263.529  3952.10    377.669  4076.57    367.895  85.341  4.0859  86.681  3.9186  -1.340515      5.661246  
1 1 1 0   70  4  o 109.304 2.9255  6477.13    346.346  6673.71    495.492  6289.33    484.312  110.891 4.1255  107.648 4.1538  3.242409       5.854377  
1 1 1 0   70  5  f 172.806 3.5414  16199.48   662.835  16454.40   940.347  15947.74   934.460  174.014 4.9892  171.309 5.0363  2.705505       7.089185  
1 1 1 0   70  6  o 163.829 3.4375  14560.78   609.969  14954.72   870.315  14180.46   855.138  165.888 4.8439  161.531 4.8878  4.356445       6.881366  
1 1 1 0   70  7  o 60.195  2.9967  1965.17    195.378  1980.26    287.632  1952.25    266.222  60.211  4.4419  59.816  4.1346  0.3948517      6.068355  
1 1 1 0   70  8  o 108.788 3.0133  6419.62    355.055  5680.08    511.598  7106.80    493.156  102.218 4.6210  114.393 3.9803  -12.17548      6.098839  
1 1 1 0   70  9  o 221.941 4.1836  26770.64   1005.68  26867.77   1424.68  26674.18   1419.83  221.947 5.9265  221.146 5.9277  0.8013916      8.382167  
1 1 1 0   70  10 o 225.324 4.2387  27608.85   1034.44  28081.23   1466.59  27141.17   1459.28  226.784 5.9707  222.934 6.0436  3.850601       8.495531  
1 1 1 0   70  11 o 87.809  2.9931  4185.41    284.657  4148.76    420.843  4216.32    386.481  87.185  4.4717  88.046  4.0527  -0.8616180     6.034972  
1 1 1 0   70  12 o 95.928  3.0578  4997.14    317.708  5155.60    473.697  4867.58    428.335  97.282  4.4957  94.563  4.1821  2.718735       6.140140  
1 1 1 0   70  13 o 102.971 3.0222  5759.33    337.056  5724.73    493.591  5789.57    461.378  102.483 4.4468  103.108 4.1314  -0.6242142     6.069761  
1 1 1 0   70  14 o 42.144  4.2118  977.544    189.681  907.101    296.228  1026.50    246.946  39.995  7.0982  42.978  5.4260  -2.982269      8.934539  
1 1 1 0   70  15 f 33.423  1.9768  608.059    71.244   821.603    268.030  591.825    73.902   38.054  6.7502  32.963  2.0806  5.090939       7.063573  
1 1 1 0   70  16 o 107.138 3.1994  6245.69    371.256  6238.21    545.532  6252.15    506.689  106.778 4.7170  106.974 4.3731  -0.1960297     6.432326  
1 1 1 0   70  17 o 26.867  6.8355  415.588    199.391  191.646    308.801  575.714    261.121  22.611  8.7886  31.510  7.7133  -8.899435      11.69334  
1 1 1 0   70  18 o 122.682 6.5444  8382.57    866.463  0.0000     0.0000   8382.57    866.463  ?       ?       122.682 6.5444  0.000000       6.544438  
1 1 1 0   70  19 o 51.808  4.8624  1489.59    269.651  0.0000     0.0000   1489.59    269.651  ?       ?       51.808  4.8624  0.000000       4.862386  
1 1 1 0   70  20 o 30.725  7.1348  551.833    232.881  0.0000     0.0000   551.833    232.881  ?       ?       30.725  7.1348  0.000000       7.134758  
1 1 1 0   70  21 o 35.648  7.0487  740.511    262.513  0.0000     0.0000   740.511    262.513  ?       ?       35.648  7.0487  0.000000       7.048748  
1 1 1 0   70  22 o 57.442  4.8349  1843.59    298.008  0.0000     0.0000   1843.59    298.008  ?       ?       57.442  4.8349  0.000000       4.834892  
1 1 1 0   70  23 f 13.699  6.3502  -164.3307  224.436  0.0000     0.0000   -164.3307  224.436  ?       ?       13.699  6.3502  0.000000       6.350233  
1 1 1 0   70  24 o 56.162  4.2370  1772.19    255.834  1310.14    522.247  1918.08    293.457  43.882  11.007  58.205  4.6949  -14.32267      11.96650  
1 1 1 0   70  25 o 57.333  4.1228  1849.10    254.309  1913.31    536.655  1830.51    288.793  54.367  9.4570  56.703  4.7459  -2.336220      10.58100  
1 1 1 0   70  26 o 20.559  8.5358  153.735    312.633  0.0000     0.0000   153.735    312.633  ?       ?       20.559  8.5358  0.000000       8.535771  
1 1 1 0   70  27 o 32.779  8.5003  715.001    304.321  0.0000     0.0000   715.001    304.321  ?       ?       32.779  8.5003  0.000000       8.500273  
1 1 1 0   70  28 o 38.842  7.7450  973.725    314.398  0.0000     0.0000   973.725    314.398  ?       ?       38.842  7.7450  0.000000       7.744988  
1 1 1 0   71  1  o 197.620 3.8554  21189.75   825.231  21405.40   1167.91  20974.73   1166.19  198.438 5.4339  196.425 5.4816  2.012878       7.718495  
1 1 1 0   71  2  o 150.237 3.2790  12240.60   533.567  11927.08   756.450  12551.04   752.719  148.190 4.7129  152.029 4.5712  -3.839859      6.565681  
1 1 1 0   71  3  o 169.182 3.5209  15526.74   645.183  15313.82   915.746  15736.60   909.143  167.871 5.0365  170.184 4.9322  -2.313477      7.049353  
1 1 1 0   71  4  o 278.042 4.9804  42015.12   1499.83  42987.30   2123.61  41047.57   2118.55  280.760 6.9834  274.312 7.1306  6.448120       9.980666  
1 1 1 0   71  5  o 157.182 3.3708  13403.04   573.856  13415.46   814.783  13390.81   808.364  157.116 4.7880  156.976 4.7545  0.1405945      6.747574  
1 1 1 0   71  6  o 201.029 3.9102  21940.75   851.394  22154.34   1209.53  21730.98   1198.65  201.750 5.5352  199.812 5.5386  1.937607       7.830358  
1 1 1 0   71  7  o 97.616  2.8825  5168.12    304.762  5012.73    438.023  5313.93    424.302  96.056  4.2102  98.918  3.9603  -2.861862      5.780130  
1 1 1 0   71  8  o 160.198 3.4423  13931.17   597.275  13778.38   847.238  14082.13   842.133  159.120 4.9160  160.878 4.8330  -1.757355      6.893791  
1 1 1 0   71  9  o 189.709 3.7633  19552.19   773.257  19536.15   1096.48  19568.07   1090.65  189.325 5.3471  189.487 5.3142  -0.1620483     7.538720  
1 1 1 0   71  10 o 191.137 3.8012  19857.32   786.935  19983.22   1115.51  19732.60   1110.29  191.391 5.3812  190.185 5.3900  1.206223       7.616445  
1 1 1 0   71  11 o 18.965  6.5644  178.069    164.286  109.043    255.507  226.719    214.506  19.751  7.8957  21.474  7.4971  -1.723263      10.88798  
1 1 1 0   71  12 o 16.140  6.1647  98.512     150.054  215.158    235.870  19.208     194.484  21.612  7.8282  15.859  6.6690  5.752631       10.28379  
1 1 1 0   71  13 o 42.186  1.7538  964.776    80.136   683.487    315.336  984.196    82.856   34.434  8.5051  42.607  1.7954  -8.172764      8.692560  
1 1 1 0   71  14 o 107.075 3.1030  6232.09    359.868  6137.42    532.268  6311.81    488.416  106.016 4.6354  107.592 4.1912  -1.576889      6.249260  
1 1 1 0   71  15 o 194.938 3.8859  20715.76   820.461  20974.15   1172.29  20467.66   1148.69  195.488 5.5366  193.134 5.4913  2.353851       7.797954  
1 1 1 0   71  16 o 144.224 3.4820  11331.10   543.928  11149.35   766.240  11515.71   772.256  142.633 4.9599  144.972 4.9182  -2.338852      6.984950  
1 1 1 0   71  17 o 93.247  3.3388  4737.88    337.207  4711.61    494.674  4760.69    460.882  92.520  4.9544  93.222  4.5646  -0.7022934     6.736600  
1 1 1 0   71  18 o 155.805 4.0219  13282.11   678.710  12810.44   1185.90  13511.86   827.662  151.292 7.2371  156.771 4.8743  -5.479156      8.725488  
1 1 1 0   71  19 o 90.009  3.0934  4417.75    301.571  5094.62    643.989  4227.63    341.306  95.461  6.2632  87.947  3.5830  7.513100       7.215698  
1 1 1 0   71  20 o 14.015  6.2945  -83.6717   199.024  0.0000     0.0000   -83.6717   199.024  ?       ?       14.015  6.2945  0.000000       6.294541  
1 1 1 0   71  21 o 61.258  4.8953  2090.08    322.082  0.0000     0.0000   2090.08    322.082  ?       ?       61.258  4.8953  0.000000       4.895300  
1 1 1 0   71  22 o 29.114  8.4856  510.759    283.985  0.0000     0.0000   510.759    283.985  ?       ?       29.114  8.4856  0.000000       8.485580  
1 1 1 0   71  23 o 38.911  6.7948  898.675    275.942  0.0000     0.0000   898.675    275.942  ?       ?       38.911  6.7948  0.000000       6.794813  
1 1 1 0   71  24 o 27.512  8.3364  472.922    269.887  0.0000     0.0000   472.922    269.887  ?       ?       27.512  8.3364  0.000000       8.336448  
1 1 1 0   71  25 o 71.135  4.2061  2849.49    322.627  0.0000     0.0000   2849.49    322.627  ?       ?       71.135  4.2061  0.000000       4.206122  
1 1 1 0   71  26 o 94.759  4.6462  5111.29    476.857  0.0000     0.0000   5111.29    476.857  ?       ?       94.759  4.6462  0.000000       4.646214  
1 1 1 0   71  27 o 59.635  5.9457  2122.57    378.918  0.0000     0.0000   2122.57    378.918  ?       ?       59.635  5.9457  0.000000       5.945665  
1 1 1 0   72  0  o 172.614 5.0176  16165.02   938.093  16514.23   1325.48  15814.56   1327.85  174.319 7.0203  170.572 7.1874  3.747162       10.04709  
1 1 1 0   72  1  o 146.404 3.2367  11625.18   513.247  11894.71   726.360  11356.42   725.321  147.984 4.5318  144.587 4.6316  3.396744       6.479858  
1 1 1 0   72  2  o 100.594 2.8832  5486.79    314.138  5469.07    446.914  5504.09    441.649  100.368 4.1111  100.693 4.0496  -0.3245087     5.770623  
1 1 1 0   72  3  o 173.900 3.5673  16408.92   671.912  16311.15   949.151  16507.14   951.308  173.211 5.0593  174.251 5.0405  -1.039993      7.141662  
1 1 1 0   72  4  o 212.962 4.0550  24625.69   935.327  25347.83   1325.47  23909.43   1320.05  215.791 5.6711  209.551 5.8161  6.239929       8.123287  
1 1 1 0   72  5  o 82.065  2.8840  3652.35    256.348  3829.03    363.393  3477.33    361.673  83.973  3.9955  79.903  4.1937  4.069305       5.792351  
1 1 1 0   72  6  o 123.394 3.0343  8259.73    405.533  8477.13    584.190  8057.52    563.396  124.900 4.3184  121.774 4.2716  3.125969       6.074137  
1 1 1 0   72  7  o 140.327 3.1887  10685.89   484.650  10445.13   689.869  10920.51   681.013  138.584 4.5960  141.723 4.4366  -3.139099      6.388001  
1 1 1 0   72  8  o 211.439 4.0541  24299.31   928.424  24408.88   1315.66  24190.62   1310.34  211.528 5.7426  210.579 5.7451  0.9485168      8.122991  
1 1 1 0   72  9  o 131.329 3.1404  9363.17    446.706  9446.36    639.847  9284.07    623.930  131.744 4.4841  130.618 4.4102  1.126053       6.289465  
1 1 1 0   72  10 o 85.575  2.8989  3974.91    268.685  3903.89    386.378  4041.41    373.885  84.699  4.2118  86.198  4.0047  -1.498840      5.811779  
1 1 1 0   72  11 o 42.757  3.8623  1002.50    176.933  924.632    268.738  1062.08    235.070  40.614  6.3143  43.835  5.0431  -3.220791      8.081000  
1 1 1 0   72  12 o 85.715  3.0069  3990.61    279.158  4194.35    415.434  3822.88    376.945  87.731  4.3720  83.781  4.1539  3.949532       6.030711  
1 1 1 0   72  13 o 99.194  3.0619  5346.88    328.959  5563.94    492.006  5171.40    442.377  100.987 4.4981  97.407  4.1931  3.580498       6.149404  
1 1 1 0   72  14 o 87.101  3.0060  4123.91    283.583  3943.35    412.140  4286.25    390.803  84.860  4.5002  88.660  4.0697  -3.800812      6.067417  
1 1 1 0   72  15 o 39.527  5.2172  870.846    217.899  938.786    331.887  819.372    288.882  40.426  7.8630  37.836  7.3139  2.589844       10.73869  
1 1 1 0   72  16 o 133.965 3.4148  9777.05    495.474  9269.87    706.997  10266.57   694.580  129.996 5.0213  136.919 4.6837  -6.923782      6.866632  
1 1 1 0   72  17 o 92.730  3.0178  4681.48    303.094  4066.76    497.781  5043.66    382.089  85.774  5.3855  96.129  3.6698  -10.35477      6.516933  
1 1 1 0   72  18 o 80.746  3.0936  3553.34    270.554  3186.82    602.536  3645.91    302.796  74.980  7.5208  81.733  3.4204  -6.753418      8.262060  
1 1 1 0   72  19 o ?       ?       -152.0694  33.869   87.487     422.660  -153.6176  33.978   23.309  9.8182  ?       ?       0.000000       9.818176  
1 1 1 0   72  20 o 45.801  1.8839  1139.41    93.453   460.357    464.122  1168.10    95.407   29.780  10.951  46.373  1.8995  -16.59312      11.11474  
1 1 1 0   72  21 o 47.397  4.1717  1246.83    211.973  1444.51    483.477  1199.78    235.850  48.837  9.4821  46.315  4.7698  2.522312       10.61422  
1 1 1 0   72  22 o 44.380  4.9496  1112.70    233.867  889.374    481.374  1181.70    267.567  37.071  11.111  45.520  5.5413  -8.449440      12.41644  
1 1 1 0   72  23 o 27.866  8.1445  480.537    261.288  0.0000     0.0000   480.537    261.288  ?       ?       27.866  8.1445  0.000000       8.144508  
1 1 1 0   72  24 o 65.996  4.9497  2478.37    351.229  0.0000     0.0000   2478.37    351.229  ?       ?       65.996  4.9497  0.000000       4.949670  
1 1 1 0   72  25 o 52.802  5.9342  1638.08    333.502  0.0000     0.0000   1638.08    333.502  ?       ?       52.802  5.9342  0.000000       5.934210  
1 1 1 0   72  26 o 22.426  8.7941  264.566    311.293  0.0000     0.0000   264.566    311.293  ?       ?       22.426  8.7941  0.000000       8.794131  
1 1 1 0   72  27 o 55.788  5.8989  1855.33    351.031  0.0000     0.0000   1855.33    351.031  ?       ?       55.788  5.8989  0.000000       5.898871  
1 1 1 0   73  1  o 141.639 3.2006  10882.30   491.000  10489.73   699.399  11263.79   689.465  138.934 4.6478  143.993 4.4208  -5.058640      6.414463  
1 1 1 0   73  2  o 178.949 3.6103  17379.10   699.750  17938.62   990.310  16821.19   988.882  181.625 5.0342  175.854 5.1919  5.770950       7.231740  
1 1 1 0   73  3  o 285.844 5.0827  44441.90   1573.60  45502.96   2227.63  43385.07   2223.18  288.631 7.1257  281.780 7.2844  6.851074       10.19014  
1 1 1 0   73  4  o 230.806 4.2949  28944.18   1073.68  28614.37   1521.57  29271.26   1515.27  229.098 6.1320  231.736 6.0371  -2.638412      8.605075  
1 1 1 0   73  5  o 108.740 2.9541  6414.14    347.920  6231.73    492.426  6595.97    491.641  107.088 4.2455  110.184 4.1196  -3.096169      5.915731  
1 1 1 0   73  6  o 152.519 3.3174  12626.11   548.019  13044.22   783.341  12225.32   766.951  154.851 4.6705  149.904 4.7237  4.947144       6.642841  
1 1 1 0   73  7  o 228.692 4.2745  28438.61   1058.78  29110.19   1500.38  27772.41   1494.34  230.923 5.9988  225.518 6.1178  5.404480       8.568140  
1 1 1 0   73  8  o 126.607 3.0881  8701.10    423.470  8557.23    603.882  8840.30    593.993  125.399 4.4462  127.476 4.3021  -2.076897      6.186829  
1 1 1 0   73  9  o 79.627  2.9677  3441.82    255.952  3143.47    375.871  3699.78    349.508  75.836  4.5978  82.486  3.9121  -6.649719      6.036880  
1 1 1 0   73  10 o 178.697 3.6493  17360.74   706.322  17405.67   1004.13  17316.73   993.734  178.573 5.1916  178.127 5.1507  0.4458466      7.313221  
1 1 1 0   73  11 o 92.293  2.9955  4626.05    299.433  4485.79    441.367  4745.66    407.575  90.722  4.4918  93.371  4.0302  -2.648865      6.034782  
1 1 1 0   73  12 o 94.390  3.0216  4840.33    308.914  4423.21    455.103  5196.71    420.667  89.910  4.6896  97.689  3.9758  -7.779121      6.148130  
1 1 1 0   73  13 o 119.849 3.1301  7808.58    406.308  7714.68    589.082  7893.79    561.148  118.868 4.5755  120.295 4.3068  -1.427750      6.283660  
1 1 1 0   73  14 o 92.246  3.0485  4626.75    304.578  4619.59    450.589  4632.78    413.300  91.953  4.5242  92.150  4.1410  -0.1968231     6.133206  
1 1 1 0   73  15 o 49.511  4.1503  1347.67    220.512  1437.48    346.955  1286.80    285.618  50.628  6.4756  48.078  5.5892  2.550133       8.554072  
1 1 1 0   73  16 o 44.092  4.5816  1075.90    215.608  903.123    324.011  1213.21    288.842  39.543  7.8421  46.554  5.8581  -7.010780      9.788620  
1 1 1 0   73  17 o 34.987  5.9554  695.059    217.592  663.338    351.193  714.824    277.211  33.571  9.3253  35.097  7.5187  -1.526535      11.97883  
1 1 1 0   73  18 o 27.577  1.5793  413.892    46.975   637.201    435.829  411.267    47.250   33.131  10.679  27.487  1.5939  5.643883       10.79729  
1 1 1 0   73  19 o 41.669  4.4527  965.240    197.845  1357.56    465.760  878.866    218.541  47.770  9.3366  39.541  5.2314  8.229321       10.70232  
1 1 1 0   73  20 o 12.341  5.6356  -103.3465  167.736  -444.8975  422.391  -39.4007   182.765  17.541  8.3125  14.081  6.1935  3.459620       10.36617  
1 1 1 0   73  21 o 17.660  6.8931  118.166    190.575  -193.8477  433.050  193.106    212.230  19.916  9.0796  20.089  7.4027  -0.1729889     11.71489  
1 1 1 0   73  22 o 41.561  4.9679  980.514    219.199  1144.62    479.210  937.092    246.498  42.007  10.548  40.282  5.8184  1.724712       12.04603  
1 1 1 0   73  23 o 49.097  4.6942  1366.09    246.582  827.049    500.392  1538.96    283.376  34.840  11.457  51.932  5.1039  -17.09163      12.54237  
1 1 1 0   73  24 o 22.979  7.9781  307.503    242.749  498.803    460.678  233.967    285.620  28.570  10.828  21.855  8.4641  6.714954       13.74348  
1 1 1 0   73  25 o 34.311  8.3673  760.297    308.156  0.0000     0.0000   760.297    308.156  ?       ?       34.311  8.3673  0.000000       8.367295  
1 1 1 0   73  26 o 19.989  8.2311  155.907    287.417  0.0000     0.0000   155.907    287.417  ?       ?       19.989  8.2311  0.000000       8.231137  
1 1 1 0   73  27 o 18.351  7.8887  71.257     282.599  0.0000     0.0000   71.257     282.599  ?       ?       18.351  7.8887  0.000000       7.888658  
1 1 1 0   74  0  o 396.726 9.6233  85940.24   4135.10  86153.85   5849.48  85726.87   5846.35  395.580 13.653  394.586 13.680  0.9943237      19.32673  
1 1 1 0   74  1  o 113.279 2.9526  6960.20    362.269  7016.69    509.257  6902.33    515.450  113.652 4.1370  112.715 4.2221  0.9371719      5.911137  
1 1 1 0   74  2  o 230.729 4.2996  28927.85   1074.47  29931.06   1520.84  27928.08   1518.24  234.322 5.9924  226.295 6.1943  8.026932       8.618517  
1 1 1 0   74  3  o 61.547  2.9257  2054.79    195.031  2103.11    282.521  2010.79    269.565  62.070  4.2276  60.697  4.1249  1.372238       5.906548  
1 1 1 0   74  4  o 239.121 4.4264  31086.86   1146.42  30906.53   1623.18  31266.35   1619.38  237.951 6.2981  239.347 6.2467  -1.396469      8.870605  
1 1 1 0   74  5  o 289.759 5.1800  45727.37   1625.68  45369.46   2299.64  46084.91   2298.49  287.787 7.3776  290.075 7.3158  -2.287842      10.38992  
1 1 1 0   74  6  o 81.589  2.8940  3611.87    255.738  3438.77    377.846  3758.20    347.406  79.389  4.4116  83.164  3.8568  -3.775169      5.859849  
1 1 1 0   74  7  o 119.466 2.9985  7746.16    387.993  7843.62    554.933  7652.96    542.682  120.079 4.2668  118.616 4.2241  1.463120       6.004051  
1 1 1 0   74  8  o 183.050 3.6927  18211.46   732.117  18033.66   1038.52  18387.12   1032.24  181.814 5.2737  183.608 5.1906  -1.794113      7.399673  
1 1 1 0   74  9  o 182.066 3.6928  18021.74   728.201  17896.09   1035.10  18144.88   1024.64  181.061 5.2782  182.340 5.1882  -1.278717      7.401171  
1 1 1 0   74  10 o 152.599 3.3618  12655.04   555.636  12398.10   792.247  12903.76   779.485  150.758 4.8519  153.840 4.6781  -3.082794      6.739828  
1 1 1 0   74  11 o 125.536 3.1176  8562.38    423.891  8854.21    613.178  8295.26    586.646  127.443 4.4422  123.365 4.3905  4.078789       6.245783  
1 1 1 0   74  12 o 90.798  3.0187  4479.86    296.865  4534.59    439.448  4433.92    402.626  91.170  4.4503  90.199  4.1213  0.9706573      6.065448  
1 1 1 0   74  13 o 68.216  3.1758  2530.64    234.642  2709.30    361.611  2400.71    308.378  70.240  4.7817  66.186  4.3256  4.053802       6.447855  
1 1 1 0   74  14 o 137.678 3.2987  10315.80   491.895  10697.04   711.620  9966.97    680.698  139.846 4.6982  135.002 4.6553  4.844437       6.613949  
1 1 1 0   74  15 o 21.173  7.3008  228.550    203.118  910.244    313.146  -266.5706  266.875  39.819  7.5369  14.396  6.7558  25.42251       10.12150  
1 1 1 0   74  16 o 40.409  5.2992  913.053    226.342  830.933    377.027  959.325    283.015  37.537  9.3171  41.108  6.5782  -3.570854      11.40529  
1 1 1 0   74  17 o 126.069 3.3113  8668.11    452.146  8614.67    659.708  8715.45    620.917  125.169 4.8661  126.019 4.5491  -0.8498917     6.661362  
1 1 1 0   74  18 o 82.722  3.3737  3736.80    302.275  3438.57    447.407  3987.25    410.000  78.716  5.2783  85.073  4.4652  -6.357056      6.913625  
1 1 1 0   74  19 o 85.908  3.2784  4031.27    305.048  3600.25    629.549  4163.53    348.721  79.509  7.3952  87.205  3.6920  -7.696640      8.265607  
1 1 1 0   74  20 o 22.078  7.0245  273.924    189.043  257.290    437.676  277.739    209.604  25.863  10.336  22.433  7.4168  3.429548       12.72151  
1 1 1 0   74  21 o 16.148  6.5403  73.851     177.819  720.107    436.942  -54.4254   194.668  33.913  10.667  14.206  6.3130  19.70704       12.39506  
1 1 1 0   74  22 f 30.223  2.1045  500.444    68.459   440.483    462.689  501.785    69.220   28.215  10.814  30.260  2.1255  -2.044981      11.02053  
1 1 1 0   74  23 o 53.929  4.2455  1634.17    245.977  1285.71    518.611  1735.32    279.404  43.534  10.996  55.359  4.7045  -11.82515      11.95986  
1 1 1 0   74  24 o 56.248  4.2671  1784.28    258.023  909.418    530.715  2055.08    295.269  35.641  11.803  60.220  4.5608  -24.57914      12.65329  
1 1 1 0   74  25 o 48.285  7.0137  1422.05    356.077  0.0000     0.0000   1422.05    356.077  ?       ?       48.285  7.0137  0.000000       7.013728  
1 1 1 0   74  26 o 70.143  5.2417  2863.23    395.346  0.0000     0.0000   2863.23    395.346  ?       ?       70.143  5.2417  0.000000       5.241693  
1 1 1 0   75  1  o 177.652 3.5938  17136.13   691.509  17357.24   980.370  16917.20   975.530  178.565 5.0690  176.280 5.1094  2.285309       7.197255  
1 1 1 0   75  2  o 162.686 3.4142  14367.47   601.611  14482.65   853.040  14253.50   848.591  163.142 4.8276  161.844 4.8410  1.297897       6.836712  
1 1 1 0   75  3  o 64.680  2.9346  2269.71    205.587  2289.80    291.860  2249.93    289.641  64.771  4.1826  64.202  4.1882  0.5695343      5.919055  
1 1 1 0   75  4  o 167.914 3.4958  15310.46   635.766  14838.90   899.329  15781.56   898.888  165.069 5.0302  170.260 4.8744  -5.191376      7.004457  
1 1 1 0   75  5  f 92.871  2.9489  4680.48    296.629  4453.67    426.612  4892.77    412.726  90.485  4.3530  94.872  4.0166  -4.386986      5.922955  
1 1 1 0   75  6  o 240.117 4.4263  31376.40   1151.16  31272.81   1629.74  31479.55   1626.24  239.128 6.2924  239.930 6.2579  -0.8019257     8.874431  
1 1 1 0   75  7  o 160.088 3.3974  13921.50   589.076  14128.30   837.448  13718.95   828.778  161.028 4.8016  158.674 4.8224  2.354141       6.805209  
1 1 1 0   75  8  o 41.104  3.6945  925.872    162.724  993.759    234.249  862.561    226.214  42.362  5.2156  39.379  5.4498  2.982231       7.543406  
1 1 1 0   75  9  o 94.128  2.9153  4810.60    297.214  4964.03    430.697  4671.10    410.667  95.489  4.1644  92.637  4.0929  2.852081       5.838997  
1 1 1 0   75  10 o 92.584  2.9544  4655.37    296.263  4587.31    431.261  4716.20    407.691  91.754  4.3396  93.072  4.0443  -1.317528      5.931953  
1 1 1 0   75  11 o 85.776  3.0141  3997.52    280.019  4063.27    416.820  3943.44    378.030  86.196  4.4802  85.076  4.1025  1.119392       6.074726  
1 1 1 0   75  12 o 46.550  3.8888  1188.68    194.276  1071.57    283.931  1291.78    266.402  43.742  6.1638  48.316  5.1710  -4.573376      8.045617  
1 1 1 0   75  13 o 82.582  3.0565  3708.17    273.384  3864.00    412.991  3586.63    364.737  83.973  4.5579  80.972  4.1731  3.000984       6.179690  
1 1 1 0   75  14 o 149.416 3.5240  12161.64   570.302  12239.82   791.028  12077.02   822.977  149.492 4.8854  148.413 5.1197  1.079239       7.076666  
1 1 1 0   75  15 o 119.811 3.2275  7817.35    418.819  7510.87    610.708  8089.47    575.461  117.039 4.8176  121.596 4.3694  -4.557533      6.503953  
1 1 1 0   75  16 o 15.860  6.7536  7.2672     203.636  -297.5226  355.450  156.176    248.449  17.037  7.9296  20.350  7.8906  -3.313049      11.18658  
1 1 1 0   75  17 o 45.046  4.6937  1126.81    225.642  833.945    343.122  1349.96    299.516  37.615  8.6083  49.070  5.7442  -11.45526      10.34887  
1 1 1 0   75  18 o 87.379  3.3768  4170.65    319.587  4696.42    486.812  3772.42    423.667  92.166  4.8942  82.626  4.7542  9.540695       6.823122  
1 1 1 0   75  19 o 36.266  5.0626  740.744    193.434  835.348    459.491  720.367    213.251  36.966  10.799  35.569  5.7300  1.397007       12.22540  
1 1 1 0   75  20 o 30.338  6.3133  536.190    200.695  137.609    453.221  633.412    223.838  24.322  10.202  32.979  6.4976  -8.657078      12.09516  
1 1 1 0   75  21 o 74.868  3.2228  3077.38    261.335  2612.10    589.901  3191.00    291.501  66.017  8.4434  76.133  3.5351  -10.11552      9.153590  
1 1 1 0   75  22 o 15.222  6.5165  15.874     191.412  70.501     443.295  3.3543     212.215  22.525  9.7810  15.708  6.7941  6.817157       11.90917  
1 1 1 0   75  23 f 18.034  7.2743  114.720    219.009  -8.2460    450.791  152.711    250.567  21.575  9.5965  19.588  7.8232  1.986559       12.38123  
1 1 1 0   75  24 o 6.8245  2.8309  6.7659     34.341   0.0000     0.0000   6.7659     34.341   ?       ?       6.8245  2.8309  0.000000       2.830851  
1 1 1 0   75  25 o 20.815  8.3820  192.361    290.250  0.0000     0.0000   192.361    290.250  ?       ?       20.815  8.3820  0.000000       8.382035  
1 1 1 0   75  26 o 24.941  9.2174  386.811    329.470  0.0000     0.0000   386.811    329.470  ?       ?       24.941  9.2174  0.000000       9.217412  
1 1 1 0   76  0  o 162.250 4.8425  14293.63   850.994  14032.44   1202.40  14555.76   1204.58  160.544 6.9149  163.525 6.8011  -2.980347      9.699019  
1 1 1 0   76  1  o 115.882 2.9625  7286.62    371.826  7482.11    523.287  7087.25    528.434  117.319 4.1181  114.165 4.2735  3.154259       5.934842  
1 1 1 0   76  2  f 170.761 3.5271  15836.10   652.336  16169.80   923.291  15503.48   921.795  172.315 4.9470  168.709 5.0446  3.606354       7.065480  
1 1 1 0   76  3  o 121.486 3.0194  8009.79    397.292  7842.97    562.903  8175.38    560.816  120.079 4.3281  122.610 4.2230  -2.531158      6.046994  
1 1 1 0   76  4  o 139.396 3.1938  10549.11   482.193  10600.13   679.778  10497.45   684.089  139.562 4.4971  138.877 4.5479  0.6853638      6.395857  
1 1 1 0   76  5  o 286.484 5.1279  44743.95   1591.13  44924.26   2252.67  44564.43   2247.74  286.103 7.2695  284.947 7.2830  1.155121       10.29021  
1 1 1 0   76  6  o 198.880 3.8819  21506.77   836.190  22682.61   1185.26  20341.60   1179.86  203.871 5.3677  192.985 5.6447  10.88521       7.789368  
1 1 1 0   76  7  o 141.142 3.1858  10819.49   487.025  11099.96   690.913  10542.49   686.620  142.761 4.4683  139.114 4.5570  3.646896       6.382148  
1 1 1 0   76  8  o 167.432 3.5066  15237.72   635.904  14570.59   898.597  15906.97   900.013  163.396 5.0775  170.778 4.8657  -7.382492      7.032533  
1 1 1 0   76  9  o 92.361  2.9087  4632.25    290.973  4510.85    418.784  4745.56    404.579  91.002  4.2488  93.371  4.0006  -2.368103      5.835834  
1 1 1 0   76  10 o 41.147  4.0260  930.771    177.126  884.587    272.523  964.549    233.067  39.612  6.5830  41.678  5.2815  -2.065472      8.439789  
1 1 1 0   76  11 o 61.854  3.2093  2085.68    214.263  2389.21    320.271  1839.76    288.277  66.013  4.5063  57.864  4.6387  8.148579       6.467192  
1 1 1 0   76  12 f 100.799 3.0180  5523.29    329.498  5772.57    484.800  5309.29    449.195  102.840 4.3524  98.652  4.2039  4.187141       6.051188  
1 1 1 0   76  13 o 42.825  4.4517  1012.64    203.471  1117.21    336.890  952.597    255.293  44.355  7.2641  41.222  5.8850  3.132797       9.348847  
1 1 1 0   76  14 o 129.576 3.3347  9143.88    468.002  8747.65    672.513  9515.96    651.689  126.322 4.9153  131.863 4.5630  -5.541153      6.706779  
1 1 1 0   76  15 o 90.648  3.2854  4477.32    322.568  4538.60    473.074  4424.07    440.976  90.822  4.8265  89.744  4.5516  1.078003       6.634128  
1 1 1 0   76  16 o 72.683  3.5136  2883.29    276.602  2969.11    416.989  2815.86    369.628  73.216  5.2940  71.433  4.8054  1.783356       7.149729  
1 1 1 0   76  17 f 39.248  5.4585  867.162    225.759  576.541    362.862  1050.70    288.367  31.435  9.6936  42.999  6.3857  -11.56437      11.60790  
1 1 1 0   76  18 o 28.102  7.1384  461.226    217.696  411.046    358.041  490.657    274.204  27.671  9.6845  28.945  8.3101  -1.273148      12.76112  
1 1 1 0   76  19 o 15.523  6.3823  50.958     172.466  -163.5716  431.295  91.792     188.165  20.333  9.1868  17.016  6.7846  3.316530       11.42050  
1 1 1 0   76  20 f 16.300  6.5456  81.087     176.461  -20.8018   436.743  100.965    192.908  21.836  9.5900  17.292  6.8774  4.543821       11.80115  
1 1 1 0   76  21 o 9.3558  2.8931  47.854     32.295   655.237    442.751  44.605     32.382   32.149  10.784  9.1125  2.9081  23.03686       11.16910  
1 1 1 0   76  22 o 58.563  3.8994  1912.31    245.924  2259.22    533.574  1818.74    277.113  60.798  8.3213  56.817  4.5410  3.981117       9.479683  
1 1 1 0   76  23 o 75.179  3.5679  3134.42    290.517  2791.51    603.418  3237.88    331.462  67.051  8.4998  76.063  4.0379  -9.011986      9.410117  
1 1 1 0   76  24 o 19.693  7.8210  168.217    249.131  0.0000     0.0000   168.217    249.131  ?       ?       19.693  7.8210  0.000000       7.820962  
1 1 1 0   76  25 o 45.994  6.8572  1291.59    331.155  0.0000     0.0000   1291.59    331.155  ?       ?       45.994  6.8572  0.000000       6.857167  
1 1 1 0   76  26 o 50.220  6.4737  1526.55    343.929  0.0000     0.0000   1526.55    343.929  ?       ?       50.220  6.4737  0.000000       6.473743  
1 1 1 0   77  1  o 88.058  2.8115  4207.46    268.151  3948.39    386.573  4447.71    372.275  85.204  4.1889  90.466  3.7994  -5.261452      5.655261  
1 1 1 0   77  2  o 49.998  3.2838  1363.21    176.841  1384.93    262.835  1345.26    239.039  50.187  4.8977  49.515  4.5065  0.6718903      6.655576  
1 1 1 0   77  3  o 91.206  2.8871  4514.44    285.208  4522.49    409.161  4506.83    397.771  91.185  4.1428  91.038  4.0341  0.1477661      5.782452  
1 1 1 0   77  4  o 81.895  2.8392  3639.73    251.841  3867.82    355.066  3408.82    357.258  84.344  3.8867  79.047  4.1877  5.296875       5.713466  
1 1 1 0   77  5  o 31.668  4.4808  556.746    149.400  392.996    215.817  707.425    207.024  26.353  7.3067  35.580  5.5536  -9.227163      9.177691  
1 1 1 0   77  6  o 132.305 3.1180  9506.05    446.812  9523.39    635.143  9489.07    628.681  132.238 4.4345  132.005 4.3971  0.2323151      6.244964  
1 1 1 0   77  7  o 80.360  2.8680  3505.83    249.629  3746.17    357.018  3275.93    349.171  82.975  3.9726  77.463  4.1772  5.512383       5.764541  
1 1 1 0   77  8  o 54.294  3.2641  1607.58    191.056  1568.37    267.001  1648.73    273.505  53.432  4.6603  54.795  4.6525  -1.363014      6.585135  
1 1 1 0   77  9  o 76.352  2.8945  3166.16    239.369  3013.80    340.715  3314.65    336.366  74.249  4.2544  77.920  3.9991  -3.670326      5.838899  
1 1 1 0   77  10 o 116.453 3.0288  7369.52    382.020  7462.65    546.072  7280.25    534.626  116.980 4.3099  115.548 4.2719  1.431389       6.068288  
1 1 1 0   77  11 o 73.955  3.1106  2973.55    249.164  3055.32    360.553  2898.79    344.723  74.679  4.4783  72.749  4.3956  1.929695       6.275022  
1 1 1 0   77  12 o 95.634  2.8582  4970.67    296.059  5215.28    462.717  4801.12    385.233  97.726  4.3716  93.862  3.7893  3.863815       5.785286  
1 1 1 0   77  13 o 84.728  3.0716  3905.49    281.880  4036.81    426.119  3803.32    375.871  85.779  4.6033  83.455  4.1583  2.324020       6.203390  
1 1 1 0   77  14 o 84.139  3.2538  3855.56    296.520  3877.50    453.999  3839.24    391.577  83.909  5.0185  83.669  4.3359  0.2395020      6.632126  
1 1 1 0   77  15 o 66.816  3.5742  2443.02    257.725  2295.31    397.328  2550.30    338.625  64.220  5.7740  68.038  4.6226  -3.817787      7.396405  
1 1 1 0   77  16 o 33.479  6.1781  640.780    215.773  540.720    342.312  706.747    277.944  30.571  9.4131  34.835  7.5819  -4.263960      12.08683  
1 1 1 0   77  17 o 42.303  5.1253  1001.43    230.041  691.331    367.547  1201.14    294.955  34.063  9.5676  46.114  6.0515  -12.05081      11.32079  
1 1 1 0   77  18 o 32.369  6.4015  605.221    216.476  644.369    338.925  578.246    281.341  32.850  9.1737  31.253  8.2064  1.596750       12.30862  
1 1 1 0   77  19 o 21.539  7.7679  232.479    231.881  453.825    440.799  147.792    272.655  29.156  10.680  20.536  8.1736  8.619701       13.44880  
1 1 1 0   77  20 o 47.882  1.8196  1246.80    94.368   730.290    478.632  1267.69    96.257   34.033  11.206  48.279  1.8408  -14.24620      11.35587  
1 1 1 0   77  21 f 50.093  4.0810  1402.71    219.491  1106.94    500.060  1473.29    244.280  40.705  11.056  51.197  4.4495  -10.49186      11.91784  
1 1 1 0   77  22 o 34.796  6.0995  713.938    221.495  789.440    475.482  693.014    250.313  34.246  11.164  33.835  7.0587  0.4109383      13.20799  
1 1 1 0   77  23 o 51.763  2.7100  1475.48    151.405  1612.16    532.839  1463.47    157.914  49.166  10.334  51.509  2.8415  -2.342709      10.71764  
1 1 1 0   77  24 o 66.329  5.5973  2560.16    398.361  0.0000     0.0000   2560.16    398.361  ?       ?       66.329  5.5973  0.000000       5.597297  
1 1 1 0   77  25 o 37.634  8.0561  910.226    318.468  0.0000     0.0000   910.226    318.468  ?       ?       37.634  8.0561  0.000000       8.056097  
1 1 1 0   78  0  o 111.143 4.1018  6704.39    493.772  6563.23    703.123  6841.74    693.572  109.675 5.9412  112.013 5.7361  -2.337341      8.258348  
1 1 1 0   78  1  o 127.722 3.0541  8856.06    422.496  8772.01    597.800  8939.94    597.201  126.955 4.3474  128.171 4.3019  -1.216026      6.116092  
1 1 1 0   78  2  o 94.504  2.8028  4846.71    286.887  4734.38    408.453  4956.09    403.039  93.297  4.0421  95.471  3.8977  -2.174072      5.615199  
1 1 1 0   78  3  o 28.949  4.4945  466.961    136.353  590.024    201.410  362.835    185.266  32.352  5.9678  25.280  6.6697  7.071907       8.949864  
1 1 1 0   78  4  o 63.467  2.8926  2186.54    198.838  2210.31    285.352  2164.09    277.224  63.597  4.1656  62.936  4.0891  0.6610260      5.837188  
1 1 1 0   78  5  o 67.759  2.9165  2492.58    214.045  2459.95    304.972  2524.26    300.488  67.094  4.2181  67.985  4.1000  -0.8911438     5.882375  
1 1 1 0   78  6  o 12.189  5.2902  -20.1194   129.534  29.426     197.657  -57.4172   171.495  16.194  6.7606  13.425  5.9476  2.769015       9.004422  
1 1 1 0   78  7  o 54.644  3.1886  1627.77    187.897  1680.65    271.945  1579.46    259.916  55.337  4.5784  53.644  4.5154  1.693192       6.430463  
1 1 1 0   78  8  o 74.681  2.9009  3029.08    234.648  2993.88    335.414  3062.83    328.383  74.013  4.2014  74.885  4.0639  -0.8718719     5.845316  
1 1 1 0   78  9  o 44.252  3.5737  1072.34    169.824  1080.85    243.646  1064.30    236.835  44.160  5.1932  43.837  5.0824  0.3232765      7.266407  
1 1 1 0   78  10 o 167.276 3.5279  15227.79   639.174  15395.74   907.904  15062.75   900.005  167.784 4.9960  165.956 5.0071  1.828018       7.073206  
1 1 1 0   78  11 o 101.323 3.0092  5581.10    330.240  6035.92    486.271  5191.77    449.906  105.167 4.2690  97.538  4.2587  7.629150       6.030022  
1 1 1 0   78  12 o 5.7544  2.6275  -24.6165   36.448   693.636    278.270  -37.1537   36.764   34.682  7.6162  5.3893  2.5221  29.29312       8.022991  
1 1 1 0   78  13 o 71.944  3.3286  2818.93    259.373  3090.37    404.902  2630.03    337.773  74.897  5.0204  69.181  4.5329  5.715973       6.763946  
1 1 1 0   78  14 f 79.601  3.2954  3452.77    284.117  3223.00    439.379  3617.88    372.465  76.346  5.3473  81.209  4.2494  -4.862991      6.830137  
1 1 1 0   78  15 o 68.157  2.7575  2527.71    203.563  2918.05    405.996  2396.63    235.273  72.617  5.1963  66.302  3.2763  6.315331       6.142895  
1 1 1 0   78  16 o 56.458  4.0741  1755.06    247.455  1527.97    381.835  1919.51    324.921  51.821  6.9806  58.776  5.1561  -6.954937      8.678392  
1 1 1 0   78  17 o 31.505  6.4383  573.076    212.278  496.483    328.768  627.838    277.993  29.341  9.2560  32.657  7.9371  -3.315817      12.19304  
1 1 1 0   78  18 o 31.396  6.8213  575.486    225.326  71.784     366.855  880.623    285.533  21.644  9.1335  38.955  7.0259  -17.31094      11.52321  
1 1 1 0   78  19 o 36.397  1.7177  719.747    67.716   713.557    461.269  719.883    68.458   34.009  10.989  36.399  1.7364  -2.390240      11.12513  
1 1 1 0   78  20 o 39.374  5.1221  883.001    213.266  831.508    481.478  895.570    237.874  35.719  11.191  39.418  5.7401  -3.698891      12.57747  
1 1 1 0   78  21 o 44.308  4.9328  1116.31    232.709  834.516    494.994  1196.26    263.664  35.299  11.381  45.658  5.4386  -10.35920      12.61380  
1 1 1 0   78  22 o 21.459  7.6334  253.787    223.174  -15.3125   459.974  336.639    255.228  21.716  9.6742  23.936  8.1869  -2.220310      12.67336  
1 1 1 0   78  23 o 17.646  7.2796  92.894     225.305  146.698    459.918  75.906     258.440  23.319  10.044  18.199  7.6721  5.119776       12.63908  
1 1 1 0   78  24 o 17.725  7.7577  13.477     283.631  0.0000     0.0000   13.477     283.631  ?       ?       17.725  7.7577  0.000000       7.757710  
1 1 1 0   78  25 o 33.034  8.6558  721.647    313.427  0.0000     0.0000   721.647    313.427  ?       ?       33.034  8.6558  0.000000       8.655798  
1 1 1 0   79  1  o 117.600 2.9656  7508.00    377.739  7430.71    534.442  7585.16    533.966  116.845 4.2230  118.060 4.1758  -1.214645      5.938942  
1 1 1 0   79  2  o 131.858 3.0849  9441.09    440.571  9196.86    623.078  9685.29    623.045  129.956 4.4266  133.381 4.3128  -3.424927      6.180214  
1 1 1 0   79  3  o 119.398 2.9851  7740.08    386.029  7379.55    549.456  8091.50    542.465  116.415 4.3576  121.939 4.1073  -5.523369      5.988256  
1 1 1 0   79  4  o 115.217 2.9680  7207.86    370.384  6748.97    523.340  7668.38    524.265  111.325 4.3403  118.704 4.0777  -7.379402      5.955317  
1 1 1 0   79  5  o 133.598 3.1121  9694.71    450.327  9465.60    640.057  9919.29    633.708  131.800 4.4837  134.949 4.3356  -3.148560      6.237055  
1 1 1 0   79  6  o 196.180 3.8515  20942.42   818.386  20675.20   1159.64  21207.57   1155.12  194.441 5.5064  196.960 5.4148  -2.518967      7.722682  
1 1 1 0   79  7  o 105.928 2.9289  6094.44    336.040  6573.54    479.052  5630.33    471.501  109.869 4.0256  101.645 4.2828  8.224442       5.877761  
1 1 1 0   79  8  o 99.439  2.9342  5371.88    316.026  5417.29    455.003  5329.56    439.270  99.691  4.2139  98.898  4.1009  0.7935410      5.879982  
1 1 1 0   79  9  o 91.514  2.9009  4550.19    287.536  4492.05    409.429  4606.77    403.903  90.770  4.1645  91.938  4.0561  -1.167610      5.813377  
1 1 1 0   79  10 o 27.536  5.5953  430.585    161.185  450.117    225.606  410.220    230.369  28.010  7.3457  26.840  7.5873  1.170755       10.56059  
1 1 1 0   79  11 o 99.546  3.0299  5388.48    326.681  5626.65    481.739  5185.71    444.499  101.496 4.3822  97.469  4.2105  4.026154       6.077175  
1 1 1 0   79  12 o 36.252  1.7477  712.776    68.624   689.155    302.183  714.060    70.466   34.441  8.2156  36.283  1.7931  -1.841557      8.409038  
1 1 1 0   79  13 o 44.633  4.3584  1100.01    208.005  1099.38    336.862  1100.40    264.439  43.873  7.3489  44.360  5.6307  -0.4868011     9.258009  
1 1 1 0   79  14 o 30.117  6.2350  520.171    196.684  445.252    338.102  558.493    241.810  28.420  9.4210  31.025  7.3152  -2.604326      11.92756  
1 1 1 0   79  15 o 59.014  2.3958  1893.24    153.134  2095.28    353.744  1846.65    169.877  61.394  5.3739  58.254  2.6924  3.139637       6.010608  
1 1 1 0   79  16 o 57.106  2.7500  1775.71    170.095  2219.45    369.977  1656.78    191.538  63.119  5.4658  55.011  3.2288  8.107479       6.348221  
1 1 1 0   79  17 o 24.139  7.0551  335.277    196.064  59.289     353.178  458.222    235.724  21.188  8.9524  27.969  7.5884  -6.781281      11.73582  
1 1 1 0   79  18 o 19.696  1.8938  212.730    39.902   125.231    360.440  213.816    40.148   22.239  9.1936  19.746  1.9008  2.493057       9.388027  
1 1 1 0   79  19 o 67.706  2.7836  2505.93    204.133  2666.51    557.014  2481.02    219.398  67.394  7.7735  67.316  3.0091  0.7763672E-01  8.335570  
1 1 1 0   79  20 o 15.904  6.7219  34.167     199.219  -569.4413  446.868  183.890    222.559  16.897  8.1509  19.856  7.5259  -2.958807      11.09399  
1 1 1 0   79  21 o 34.811  6.2015  714.482    225.251  1035.63    574.710  656.195    244.840  38.508  12.247  32.955  7.0713  5.553509       14.14219  
1 1 1 0   79  22 o 30.036  6.4377  542.362    203.136  594.296    474.815  530.727    224.742  30.428  11.094  29.430  7.1265  0.9981899      13.18549  
1 1 1 0   79  23 o 42.943  5.9449  1087.16    269.088  0.0000     0.0000   1087.16    269.088  ?       ?       42.943  5.9449  0.000000       5.944868  
1 1 1 0   79  24 o 25.895  8.8627  426.478    299.112  0.0000     0.0000   426.478    299.112  ?       ?       25.895  8.8627  0.000000       8.862749  
1 1 1 0   79  25 o 18.611  8.2082  13.882     323.073  0.0000     0.0000   13.882     323.073  ?       ?       18.611  8.2082  0.000000       8.208202  
1 1 1 0   80  0  o 101.742 4.0196  5619.15    442.947  5515.38    632.213  5719.21    620.785  100.499 5.8332  102.375 5.6201  -1.876152      8.100059  
1 1 1 0   80  1  o 29.175  4.4811  474.267    137.071  556.817    192.427  389.234    195.300  31.411  5.8720  26.151  6.8232  5.259495       9.002038  
1 1 1 0   80  2  o 138.233 3.1639  10379.35   473.707  10382.46   670.379  10376.24   669.468  138.046 4.4836  138.005 4.4788  0.4049683E-01  6.337408  
1 1 1 0   80  3  o 100.363 2.9021  5469.01    315.473  5541.49    443.466  5394.75    448.875  100.901 4.0578  99.543  4.1634  1.358177       5.813754  
1 1 1 0   80  4  o 122.624 3.0261  8166.74    401.915  8382.19    575.554  7961.69    561.494  124.050 4.2837  120.898 4.2880  3.152344       6.061099  
1 1 1 0   80  5  o 126.374 3.0636  8675.53    419.331  8795.40    600.539  8561.48    585.783  127.042 4.3644  125.350 4.3146  1.691872       6.137096  
1 1 1 0   80  6  o 43.036  3.6276  1014.67    167.515  1020.78    264.017  1010.55    216.726  42.779  5.8515  42.771  4.7590  0.7965088E-02  7.542432  
1 1 1 0   80  7  f 174.789 3.5762  16622.88   677.028  16589.49   961.791  16655.69   953.190  174.192 5.0978  174.558 5.0416  -0.3653259     7.169751  
1 1 1 0   80  8  o 66.701  3.0591  2418.04    220.998  2369.93    322.980  2460.39    303.049  65.735  4.5647  67.048  4.1941  -1.313110      6.198951  
1 1 1 0   80  9  o 116.375 3.0052  7361.40    378.800  7064.50    537.954  7653.40    533.483  113.773 4.3655  118.462 4.1579  -4.689629      6.028738  
1 1 1 0   80  10 o 101.366 2.8692  5584.54    315.006  5435.46    460.938  5715.17    431.491  99.788  4.2647  102.391 3.8908  -2.603065      5.772888  
1 1 1 0   80  11 o 94.397  3.0367  4846.97    310.482  4952.00    460.735  4759.59    420.230  95.171  4.4697  93.364  4.1556  1.807320       6.103063  
1 1 1 0   80  12 o 39.633  2.0937  854.982    89.558   683.551    290.516  872.984    94.143   34.307  7.9704  40.041  2.1790  -5.733643      8.262912  
1 1 1 0   80  13 f 34.277  5.3675  661.476    192.733  880.775    312.559  526.936    244.816  39.056  7.6626  30.131  7.5243  8.924353       10.73917  
1 1 1 0   80  14 o 27.745  6.5903  444.851    195.108  513.179    337.319  410.498    239.176  29.943  9.3649  26.729  7.7866  3.214327       12.17916  
1 1 1 0   80  15 o 125.025 3.2452  8526.70    439.453  8648.76    645.144  8421.04    600.244  125.400 4.7500  123.845 4.4749  1.554878       6.525828  
1 1 1 0   80  16 o 132.303 3.4715  9564.80    497.459  9199.74    708.171  9920.41    698.946  129.105 5.0643  134.191 4.8089  -5.085617      6.983807  
1 1 1 0   80  17 o 37.144  2.3661  753.812    94.693   1214.85    378.910  723.100    97.797   45.557  7.9694  36.357  2.4987  9.199600       8.351882  
1 1 1 0   80  18 o 46.343  1.7398  1166.88    87.328   937.274    356.337  1181.55    90.075   39.415  8.5896  46.630  1.7835  -7.214943      8.772829  
1 1 1 0   80  19 o 22.645  8.3741  260.229    272.021  593.897    458.407  78.874     337.955  31.234  10.957  20.660  8.7449  10.57376       14.01856  
1 1 1 0   80  20 f 33.833  6.7220  681.962    237.641  865.773    475.221  620.671    274.416  36.121  11.086  31.748  7.9873  4.373663       13.66358  
1 1 1 0   80  21 o 52.381  4.4994  1546.96    252.789  1534.10    614.187  1549.58    277.372  46.934  12.027  52.205  4.9653  -5.270569      13.01184  
1 1 1 0   80  22 o 33.291  2.1263  607.776    76.268   439.655    488.764  611.971    77.214   27.864  10.990  33.402  2.1456  -5.537859      11.19728  
1 1 1 0   80  23 f 39.439  7.4836  963.999    307.981  0.0000     0.0000   963.999    307.981  ?       ?       39.439  7.4836  0.000000       7.483560  
1 1 1 0   80  24 o 22.197  8.8629  238.671    321.516  0.0000     0.0000   238.671    321.516  ?       ?       22.197  8.8629  0.000000       8.862864  
1 1 1 0   81  1  o 153.296 3.3104  12770.77   549.648  12699.25   780.411  12841.17   774.267  152.592 4.7219  153.457 4.6584  -0.8647156     6.633022  
1 1 1 0   81  2  o 14.559  5.5613  79.704     122.120  20.000     170.379  142.783    175.128  14.923  6.2569  18.178  6.7197  -3.255133      9.181728  
1 1 1 0   81  3  f 105.141 2.9147  6003.43    331.921  6036.97    471.027  5970.35    467.803  105.286 4.1305  104.704 4.1251  0.5817337      5.837590  
1 1 1 0   81  4  o 148.838 3.2852  12041.17   529.596  12127.03   749.752  11955.66   748.174  149.094 4.6429  148.032 4.6663  1.062714       6.582628  
1 1 1 0   81  5  o 189.928 3.7771  19634.28   776.992  19519.21   1101.53  19748.24   1096.15  188.878 5.3845  190.004 5.3265  -1.125717      7.573897  
1 1 1 0   81  6  o 123.700 3.0374  8314.88    406.953  8828.04    587.692  7842.13    564.073  127.251 4.2640  119.920 4.3428  7.330879       6.086236  
1 1 1 0   81  7  o 126.223 3.0860  8659.58    421.890  8849.09    603.808  8478.80    589.726  127.362 4.3771  124.671 4.3673  2.691223       6.183248  
1 1 1 0   81  8  f 74.260  3.0331  2997.59    243.958  3449.08    364.017  2629.46    328.698  79.404  4.2480  69.272  4.4038  10.13200       6.118746  
1 1 1 0   81  9  o 84.516  2.9333  3882.64    268.516  3954.07    377.629  3809.59    381.883  85.141  4.0950  83.444  4.2393  1.696236       5.894138  
1 1 1 0   81  10 o 57.540  3.2831  1807.79    203.761  2059.38    300.315  1593.17    277.375  61.204  4.5631  53.739  4.8165  7.464558       6.634829  
1 1 1 0   81  11 o 92.269  3.0726  4632.59    307.069  4554.59    459.358  4695.60    412.874  91.089  4.6717  92.720  4.1113  -1.630692      6.223148  
1 1 1 0   81  12 o 41.175  4.4067  938.221    193.472  1101.92    294.865  814.468    256.375  44.200  6.3410  37.845  6.4881  6.354523       9.072111  
1 1 1 0   81  13 o 66.221  3.4555  2398.25    246.981  2551.67    380.078  2286.12    324.937  67.901  5.2077  64.383  4.6920  3.517693       7.009618  
1 1 1 0   81  14 o 25.711  6.8768  382.026    195.231  174.280    339.353  484.801    238.687  22.858  9.1121  28.852  7.5505  -5.994070      11.83384  
1 1 1 0   81  15 o 81.367  3.4108  3614.98    300.595  3368.81    453.085  3808.51    401.742  77.894  5.4038  83.157  4.4769  -5.262657      7.017414  
1 1 1 0   81  16 o 66.905  2.7545  2438.98    199.608  2404.14    419.546  2449.17    226.939  65.441  5.9855  66.986  3.1279  -1.545174      6.753480  
1 1 1 0   81  17 o 102.066 3.2331  5697.85    357.412  5827.96    578.673  5617.59    454.457  102.283 5.2411  101.021 4.1535  1.262245       6.687316  
1 1 1 0   81  18 o 65.164  4.0390  2352.81    283.664  2199.50    457.328  2448.69    361.636  61.644  6.9721  66.050  5.0944  -4.405437      8.635056  
1 1 1 0   81  19 o 50.540  5.3855  1455.37    290.262  1329.03    515.271  1514.09    351.305  45.205  10.692  51.000  6.5081  -5.795780      12.51669  
1 1 1 0   81  20 o 40.061  5.6322  927.335    237.633  1205.01    494.203  843.827    271.021  42.721  10.703  37.610  6.9077  5.110985       12.73834  
1 1 1 0   81  21 o 41.527  5.7243  1002.45    250.628  634.123    594.978  1081.91    276.341  31.704  12.234  42.971  6.1095  -11.26672      13.67438  
1 1 1 0   81  22 o 61.230  4.1389  2107.49    272.873  1667.12    559.030  2245.23    312.649  49.566  10.725  62.929  4.6194  -13.36288      11.67718  
1 1 1 0   81  23 o 34.930  8.7522  797.057    330.444  0.0000     0.0000   797.057    330.444  ?       ?       34.930  8.7522  0.000000       8.752236  
1 1 1 0   81  24 o 37.040  7.9730  874.210    310.395  0.0000     0.0000   874.210    310.395  ?       ?       37.040  7.9730  0.000000       7.972986  
1 1 1 0   82  0  o 44.112  4.6588  1069.40    219.225  732.734    317.284  1376.95    303.253  35.865  8.3276  49.966  5.7059  -14.10017      10.09486  
1 1 1 0   82  1  o 81.610  2.8389  3616.86    250.940  3406.48    350.049  3839.28    359.922  78.977  4.1064  83.972  3.9573  -4.995567      5.702880  
1 1 1 0   82  2  o 139.419 3.1701  10563.35   478.706  10435.16   680.943  10688.61   673.110  138.316 4.5454  140.009 4.4387  -1.692856      6.353176  
1 1 1 0   82  3  o 140.972 3.1912  10801.19   487.250  10783.00   693.027  10818.97   685.193  140.591 4.5512  140.839 4.4918  -0.2476196     6.394475  
1 1 1 0   82  4  o 100.626 2.8897  5500.17    314.949  5564.06    445.942  5436.59    444.871  101.059 4.0741  99.889  4.1120  1.169853       5.788500  
1 1 1 0   82  5  o 56.441  3.0734  1736.33    187.173  1879.58    266.633  1597.16    262.815  58.569  4.2317  53.913  4.5431  4.655563       6.208610  
1 1 1 0   82  6  o 122.050 3.0434  8095.93    402.318  8027.96    576.716  8160.36    561.515  121.303 4.3896  122.330 4.2380  -1.026909      6.101544  
1 1 1 0   82  7  o 178.064 3.6175  17262.17   697.677  17766.72   990.806  16765.97   982.575  180.187 5.0769  175.000 5.1839  5.186874       7.255855  
1 1 1 0   82  8  o 141.615 3.2465  10909.96   497.955  10579.07   709.453  11231.26   699.091  139.104 4.7088  143.386 4.5015  -4.282150      6.514328  
1 1 1 0   82  9  o 76.454  2.9871  3178.56    247.356  3205.04    348.177  3151.58    351.475  76.503  4.2183  75.845  4.2962  0.6580811      6.020897  
1 1 1 0   82  10 o 84.986  2.9738  3928.57    273.729  3819.74    396.464  4027.70    378.392  83.471  4.4008  85.888  4.0676  -2.417068      5.992720  
1 1 1 0   82  11 o 80.311  3.1987  3512.21    278.238  3518.14    417.723  3507.49    373.034  79.954  4.8466  79.962  4.3232  -0.8674622E-02 6.494589  
1 1 1 0   82  12 f 156.754 3.4687  13399.83   588.916  13367.92   844.804  13430.00   821.395  155.986 5.0004  156.415 4.8485  -0.4286652     6.965004  
1 1 1 0   82  13 o 99.232  3.1173  5365.70    335.046  5810.13    497.230  4996.09    453.444  102.928 4.4602  95.465  4.3854  7.462555       6.254990  
1 1 1 0   82  14 o 60.739  3.6769  2023.57    240.750  2370.35    383.793  1798.58    309.134  65.276  5.4791  56.919  5.0675  8.357494       7.463219  
1 1 1 0   82  15 o 103.960 3.2142  5898.42    361.917  5985.06    542.688  5829.03    485.697  104.225 4.8074  103.016 4.3530  1.208931       6.485327  
1 1 1 0   82  16 o 87.732  3.3567  4209.15    318.961  4086.74    483.720  4303.32    424.264  85.704  5.2361  88.277  4.4516  -2.572952      6.872721  
1 1 1 0   82  17 o 50.193  4.8073  1409.88    258.148  1263.60    430.755  1491.86    322.472  45.718  9.0194  51.231  5.9206  -5.512993      10.78905  
1 1 1 0   82  18 o 66.847  4.2810  2488.03    308.329  2443.89    463.984  2522.94    412.610  64.999  6.6860  66.581  5.7790  -1.581696      8.837362  
1 1 1 0   82  19 o 34.056  7.5132  702.669    269.701  577.562    478.272  761.002    326.578  30.795  11.148  34.957  8.6682  -4.161667      14.12167  
1 1 1 0   82  20 o 51.314  4.5606  1484.68    250.828  1373.27    522.504  1518.05    285.928  45.519  10.767  51.599  5.1864  -6.079994      11.95079  
1 1 1 0   82  21 o 44.324  2.0974  1072.50    100.692  1146.63    601.104  1070.36    102.135  39.742  12.513  44.275  2.1298  -4.532894      12.69303  
1 1 1 0   82  22 o 18.962  7.6079  141.866    238.161  0.0000     0.0000   141.866    238.161  ?       ?       18.962  7.6079  0.000000       7.607862  
1 1 1 0   82  23 o 25.343  9.0032  396.128    310.362  0.0000     0.0000   396.128    310.362  ?       ?       25.343  9.0032  0.000000       9.003195  
1 1 1 0   83  1  o 112.340 2.9132  6855.55    354.471  6936.00    505.038  6777.45    497.638  112.823 4.1329  111.528 4.1196  1.294769       5.835442  
1 1 1 0   83  2  o 110.351 2.9293  6615.30    350.119  6712.43    496.929  6519.56    493.375  110.987 4.1338  109.375 4.1647  1.611168       5.868020  
1 1 1 0   83  3  o 46.406  3.3976  1177.44    169.589  1156.88    241.420  1197.47    238.280  45.752  4.9508  46.586  4.7906  -0.8340645     6.889158  
1 1 1 0   83  4  o 34.443  4.2857  656.697    156.420  376.985    228.686  902.609    214.424  25.879  7.6354  40.331  5.0171  -14.45236      9.136199  
1 1 1 0   83  5  o 52.232  3.0876  1488.10    173.899  1507.45    253.599  1470.93    238.919  52.360  4.5159  51.754  4.3012  0.6065178      6.236462  
1 1 1 0   83  6  o 123.827 3.0419  8335.08    407.973  8570.30    583.625  8110.31    570.519  125.328 4.2995  121.913 4.3206  3.414276       6.095376  
1 1 1 0   83  7  o 25.844  5.6318  380.560    153.186  347.994    220.823  410.769    212.683  24.930  7.5378  26.783  7.1836  -1.853039      10.41257  
1 1 1 0   83  8  o 121.918 3.0828  8084.71    407.086  7749.38    586.707  8396.01    565.302  119.058 4.5498  124.010 4.2088  -4.952011      6.197925  
1 1 1 0   83  9  o 95.261  2.9242  4935.02    301.711  4736.40    429.515  5128.49    423.909  93.107  4.2592  96.927  4.0379  -3.820396      5.869020  
1 1 1 0   83  10 o 85.165  3.0357  3947.05    280.019  4109.15    415.994  3812.75    378.650  86.544  4.4530  83.415  4.2046  3.128830       6.124369  
1 1 1 0   83  11 o 96.557  3.0950  5076.34    323.682  5438.25    479.838  4774.14    438.465  99.655  4.4455  93.398  4.3344  6.257454       6.208856  
1 1 1 0   83  12 o 114.158 3.1393  7100.43    388.160  7475.08    568.565  6773.38    531.219  116.761 4.4959  111.171 4.4118  5.589996       6.298908  
1 1 1 0   83  13 o 67.153  3.3939  2466.85    246.049  2529.58    367.170  2415.71    331.492  67.598  5.0514  66.160  4.6557  1.438034       6.869708  
1 1 1 0   83  14 o 72.658  3.3907  2882.31    266.834  2659.95    409.263  3046.72    351.916  69.137  5.5112  74.375  4.3880  -5.238220      7.044736  
1 1 1 0   83  15 o 58.712  3.8754  1897.55    245.056  1585.76    394.313  2093.74    312.797  52.629  7.0986  61.447  4.7365  -8.817966      8.533700  
1 1 1 0   83  16 o 53.038  4.1179  1557.21    234.702  1358.61    364.900  1697.34    306.519  48.455  7.1693  55.042  5.2032  -6.587296      8.858498  
1 1 1 0   83  17 o 68.033  4.1983  2568.46    307.847  2493.87    503.404  2613.01    389.079  65.533  7.2116  68.136  5.3142  -2.602570      8.958142  
1 1 1 0   83  18 o 18.041  7.4787  77.862     239.454  231.342    388.248  -16.3611   304.203  24.026  9.6875  18.332  8.0285  5.694229       12.58187  
1 1 1 0   83  19 f 21.409  8.1177  220.834    259.005  55.035     464.858  295.476    311.905  22.895  9.9783  23.861  8.9385  -0.9661045     13.39638  
1 1 1 0   83  20 o 60.172  3.9810  2021.25    257.988  1528.11    550.264  2160.19    292.079  47.895  10.858  62.024  4.3759  -14.12875      11.70654  
1 1 1 0   83  21 o 49.475  2.4299  1340.40    130.211  1237.59    620.260  1345.14    133.179  40.938  12.682  49.488  2.4926  -8.549629      12.92450  
1 1 1 0   83  22 o 28.836  8.9479  538.865    308.635  0.0000     0.0000   538.865    308.635  ?       ?       28.836  8.9479  0.000000       8.947907  
1 1 1 0   83  23 o 24.429  8.6910  360.754    289.307  0.0000     0.0000   360.754    289.307  ?       ?       24.429  8.6910  0.000000       8.690953  
1 1 1 0   84  0  o 138.780 4.4712  10469.83   672.081  10528.83   955.214  10412.00   945.787  138.904 6.3492  138.135 6.3215  0.7681885      8.959513  
1 1 1 0   84  1  o 112.968 2.9618  6934.25    362.396  6836.02    510.148  7034.32    514.897  111.975 4.2063  113.591 4.1851  -1.616272      5.933647  
1 1 1 0   84  2  o 96.145  2.8546  5021.74    297.262  4895.91    426.759  5140.34    414.300  94.766  4.1578  97.136  3.9379  -2.369965      5.726594  
1 1 1 0   84  3  o 36.747  3.9607  744.176    155.149  721.463    221.799  765.937    217.105  35.798  5.9278  36.981  5.5951  -1.182758      8.151344  
1 1 1 0   84  4  o 60.546  2.9511  1992.18    193.528  2010.41    279.479  1975.38    268.247  60.557  4.2888  60.048  4.1499  0.5089989      5.967845  
1 1 1 0   84  5  o 15.155  5.9978  69.737     146.049  74.596     261.292  67.529     176.133  19.167  7.8653  16.211  6.5290  2.956146       10.22203  
1 1 1 0   84  6  o 56.692  3.0464  1752.62    186.378  1755.25    273.623  1750.34    254.563  56.505  4.5084  56.483  4.1910  0.2233124E-01  6.155518  
1 1 1 0   84  7  o 95.043  2.9380  4911.42    302.438  4829.58    429.977  4991.56    425.484  94.050  4.2210  95.635  4.1077  -1.584747      5.889799  
1 1 1 0   84  8  o 30.943  5.0200  537.848    162.478  672.478    245.919  433.552    216.448  34.269  6.8648  27.450  7.1933  6.819096       9.943300  
1 1 1 0   84  9  o 52.931  3.4556  1533.10    197.024  1667.38    292.086  1421.00    266.884  54.920  4.9639  50.675  4.9247  4.245338       6.992384  
1 1 1 0   84  10 o 96.836  3.0979  5105.24    324.918  5480.81    468.072  4755.97    451.387  100.086 4.3179  93.198  4.4717  6.887253       6.216109  
1 1 1 0   84  11 o 96.022  3.1120  5022.30    323.658  5257.04    479.883  4826.42    438.372  97.926  4.5245  93.882  4.3111  4.043983       6.249529  
1 1 1 0   84  12 o 41.955  4.5987  977.223    205.546  930.369    330.764  1006.70    262.353  40.020  7.9112  42.269  5.8907  -2.248745      9.863464  
1 1 1 0   84  13 o 58.952  3.7148  1907.09    235.985  2138.15    370.191  1748.92    306.285  61.947  5.5772  56.116  5.0948  5.830982       7.553949  
1 1 1 0   84  14 o 57.965  3.7061  1846.02    231.459  1853.93    351.467  1839.95    307.571  57.530  5.7163  57.538  4.9846  -0.8693695E-02 7.584310  
1 1 1 0   84  15 o 96.781  3.2144  5119.10    336.948  4515.06    497.293  5631.79    458.145  90.130  5.1152  101.193 4.1800  -11.06342      6.605942  
1 1 1 0   84  16 o 92.115  3.5141  4656.85    350.604  4395.33    544.026  4842.62    458.523  88.370  5.7145  93.527  4.5264  -5.156990      7.289965  
1 1 1 0   84  17 o 60.599  4.5186  2052.74    294.448  2147.30    491.819  1999.92    367.611  60.273  7.7105  59.218  5.8061  1.055004       9.652037  
1 1 1 0   84  18 o 80.511  3.6976  3579.62    322.439  3633.57    483.418  3536.38    432.771  79.940  5.6190  79.208  5.0711  0.7321701      7.568974  
1 1 1 0   84  19 o 26.177  8.3240  414.710    265.487  129.704    477.206  542.463    319.496  23.947  10.271  29.459  9.0979  -5.511850      13.72123  
1 1 1 0   84  20 o 37.130  6.1559  812.899    238.889  1007.90    497.465  754.454    272.346  38.307  11.250  35.144  7.3893  3.162540       13.45962  
1 1 1 0   84  21 o 28.772  7.9343  520.552    255.258  469.088    589.429  532.432    283.191  29.012  11.848  28.923  8.4863  0.8906746E-01  14.57403  
1 1 1 0   84  22 o 16.861  7.4666  -24.0750   269.983  0.0000     0.0000   -24.0750   269.983  ?       ?       16.861  7.4666  0.000000       7.466580  
1 1 1 0   85  1  o 87.643  2.7877  4172.90    264.621  4416.13    378.980  3941.50    369.655  90.027  3.8866  85.035  4.0136  4.992577       5.586998  
1 1 1 0   85  2  o 69.780  2.8633  2645.88    216.407  2505.00    313.737  2773.74    298.895  67.620  4.3061  71.241  3.8883  -3.621292      5.801855  
1 1 1 0   85  3  o 94.463  2.9033  4849.56    297.045  4658.05    426.905  5029.30    413.581  92.391  4.2661  96.050  3.9755  -3.659248      5.831335  
1 1 1 0   85  4  o 66.684  2.9465  2417.20    212.812  2342.65    301.082  2491.62    300.843  65.377  4.2755  67.457  4.1376  -2.079880      5.949750  
1 1 1 0   85  5  o 100.701 2.9187  5512.58    318.338  5661.48    448.394  5361.26    452.023  101.870 4.0639  99.106  4.2111  2.764534       5.852206  
1 1 1 0   85  6  o 39.939  3.7737  877.155    161.310  679.218    249.063  1020.18    211.714  34.451  6.9151  42.949  4.6241  -8.497555      8.318701  
1 1 1 0   85  7  o 66.220  3.0686  2385.77    220.086  2506.31    314.260  2269.73    308.322  67.586  4.3155  64.276  4.4563  3.310661       6.203428  
1 1 1 0   85  8  o 80.798  2.9879  3551.78    261.481  3355.72    380.405  3727.40    360.017  78.180  4.5116  82.617  4.0233  -4.436584      6.044928  
1 1 1 0   85  9  o 114.881 3.0607  7183.80    380.841  7652.49    554.623  6765.64    523.873  118.268 4.3297  111.199 4.3497  7.069252       6.137279  
1 1 1 0   85  10 o 49.530  3.8455  1347.99    204.683  1405.16    313.410  1305.47    270.285  50.107  5.8871  48.440  5.2349  1.666775       7.877931  
1 1 1 0   85  11 o 82.320  3.2857  3694.69    292.959  3413.07    432.959  3932.51    397.874  78.588  5.1144  84.605  4.3567  -6.017014      6.718467  
1 1 1 0   85  12 o 45.946  4.5156  1169.28    221.814  1363.60    339.173  1024.06    293.208  49.097  6.5409  42.424  6.5954  6.673153       9.288841  
1 1 1 0   85  13 o 55.781  4.0248  1713.57    241.533  1442.77    366.445  1921.59    321.173  50.326  6.9047  58.804  5.0930  -8.477600      8.579880  
1 1 1 0   85  14 o 50.488  4.1807  1409.69    226.557  1290.44    361.068  1487.12    290.964  47.305  7.2807  51.554  5.2855  -4.249836      8.996916  
1 1 1 0   85  15 o 68.154  3.8532  2560.70    283.269  2493.56    450.871  2604.48    364.101  66.257  6.3610  68.347  4.9521  -2.089951      8.061320  
1 1 1 0   85  16 o 84.580  3.7093  3938.75    339.799  3835.49    519.770  4015.83    449.047  82.271  5.8716  84.751  4.9130  -2.479752      7.655875  
1 1 1 0   85  17 o 68.946  4.1487  2644.48    308.366  2789.07    513.834  2563.10    385.503  69.209  6.9485  67.296  5.3326  1.912575       8.758901  
1 1 1 0   85  18 o 29.299  7.7939  524.669    251.644  646.324    409.229  450.696    319.107  31.900  10.355  27.383  9.1552  4.516502       13.82160  
1 1 1 0   85  19 o 27.242  8.3226  456.520    268.190  545.026    483.075  417.086    322.446  29.981  11.145  26.479  9.1948  3.502888       14.44837  
1 1 1 0   85  20 o 19.461  7.3522  183.728    211.967  -364.1906  472.910  321.478    237.119  18.768  8.8645  23.371  7.8916  -4.603262      11.86830  
1 1 1 0   85  21 o 21.695  8.1754  246.698    261.677  0.0000     0.0000   246.698    261.677  ?       ?       21.695  8.1754  0.000000       8.175405  
1 1 1 0   85  22 o 33.125  8.9788  719.870    330.205  0.0000     0.0000   719.870    330.205  ?       ?       33.125  8.9788  0.000000       8.978769  
1 1 1 0   86  0  o 125.931 4.3128  8622.74    588.251  8369.41    836.355  8870.76    827.541  123.638 6.2660  127.492 5.9929  -3.853851      8.670508  
1 1 1 0   86  1  o 97.875  2.8491  5206.12    302.034  5040.55    427.496  5371.14    426.786  96.125  4.1061  99.251  3.9702  -3.125641      5.711559  
1 1 1 0   86  2  o 81.147  2.9330  3579.53    257.789  3524.23    373.313  3629.93    356.410  80.230  4.3118  81.580  4.0336  -1.349869      5.904408  
1 1 1 0   86  3  o 149.399 3.2897  12145.90   532.324  12086.75   756.940  12203.78   748.766  148.663 4.7010  149.403 4.6272  -0.7407227     6.596215  
1 1 1 0   86  4  o 102.201 2.9153  5678.65    322.712  5491.59    465.276  5852.07    447.984  100.278 4.2838  103.574 3.9934  -3.295692      5.856496  
1 1 1 0   86  5  o 22.868  5.5976  298.729    137.524  368.176    199.079  235.338    190.201  25.384  7.0098  21.153  7.0682  4.231255       9.954724  
1 1 1 0   86  6  o 41.819  3.6870  960.733    165.291  1024.94    255.257  914.369    216.910  42.815  5.6419  40.533  5.0504  2.281784       7.572113  
1 1 1 0   86  7  o 30.879  4.9369  535.410    159.552  657.977    229.725  421.190    221.765  33.954  6.4831  27.064  7.3676  6.890482       9.813866  
1 1 1 0   86  8  o 62.105  3.1300  2105.16    209.864  2251.65    301.753  1967.92    292.069  64.002  4.3793  59.779  4.5450  4.223251       6.311494  
1 1 1 0   86  9  o 146.244 3.3569  11658.28   531.719  11127.14   757.169  12175.07   746.865  142.345 4.9111  149.013 4.6275  -6.667877      6.747801  
1 1 1 0   86  10 o 174.009 3.6007  16528.46   678.627  16914.10   967.872  16155.53   951.778  175.333 5.0967  171.339 5.1287  3.993774       7.230468  
1 1 1 0   86  11 o 87.042  2.8196  4123.92    265.819  4206.54    448.455  4079.18    330.048  87.376  4.7566  86.444  3.5251  0.9314804      5.920445  
1 1 1 0   86  12 o 60.932  3.6751  2036.93    241.402  1672.98    375.387  2293.57    315.227  54.426  6.4964  64.457  4.5444  -10.03128      7.928102  
1 1 1 0   86  13 o 38.797  5.0795  844.997    208.316  823.546    339.114  857.997    264.000  37.242  8.5831  38.675  6.5353  -1.432323      10.78798  
1 1 1 0   86  14 o 93.038  3.2843  4735.08    330.958  4352.12    502.828  5027.79    439.606  88.356  5.2784  95.550  4.2478  -7.194626      6.775362  
1 1 1 0   86  15 o 24.268  7.5640  341.077    220.272  377.442    356.694  318.661    280.051  26.542  9.6247  24.293  8.5606  2.248398       12.88091  
1 1 1 0   86  16 o 17.481  7.2934  60.895     229.829  -53.0143   394.122  119.590    282.912  20.282  8.9995  20.029  8.1975  0.2530270      12.17329  
1 1 1 0   86  17 f 42.729  5.7163  1049.80    257.920  845.988    420.536  1172.69    326.547  36.269  10.251  44.596  6.9902  -8.326843      12.40718  
1 1 1 0   86  18 f 12.227  5.9033  -337.9332  235.630  130.477    385.913  -616.3583  297.529  22.288  9.3845  12.305  6.0826  9.983264       11.18334  
1 1 1 0   86  19 o 16.814  7.3839  -18.5836   258.876  -87.0609   470.598  11.130     309.995  21.258  9.6013  18.694  8.1480  2.563869       12.59264  
1 1 1 0   86  20 o 16.374  1.8500  147.948    32.233   -284.4709  479.190  149.914    32.307   19.489  9.1158  16.485  1.8408  3.003675       9.299762  
1 1 1 0   86  21 o 38.406  7.6871  917.322    308.606  0.0000     0.0000   917.322    308.606  ?       ?       38.406  7.6871  0.000000       7.687127  
1 1 1 0   86  22 o 23.128  8.6084  299.012    288.387  0.0000     0.0000   299.012    288.387  ?       ?       23.128  8.6084  0.000000       8.608449  
1 1 1 0   87  1  f 95.472  2.8620  4955.00    295.948  4748.09    418.891  5161.21    418.177  93.264  4.1468  97.269  3.9693  -4.004967      5.740355  
1 1 1 0   87  2  o 86.439  2.8411  4061.63    265.989  4059.03    382.834  4064.05    369.833  86.235  4.0988  86.311  3.9561  -0.7636261E-01 5.696565  
1 1 1 0   87  3  o 81.141  2.9188  3580.09    256.517  3150.54    374.987  3957.89    351.675  75.757  4.5918  85.193  3.8112  -9.436745      5.967405  
1 1 1 0   87  4  o 101.526 2.9139  5605.34    320.427  5612.70    454.298  5598.06    452.015  101.380 4.1373  101.250 4.1218  0.1291809      5.840090  
1 1 1 0   87  5  o 97.862  2.8951  5208.29    306.862  5272.81    445.178  5149.88    423.566  98.241  4.1838  97.120  4.0266  1.120644       5.806698  
1 1 1 0   87  6  o 66.078  2.9391  2375.23    210.351  2532.36    307.164  2236.46    288.661  67.945  4.1944  63.836  4.1984  4.109196       5.934641  
1 1 1 0   87  7  o 22.601  6.4055  290.358    163.976  440.767    242.665  163.968    222.446  27.673  7.7746  19.895  7.5280  7.777586       10.82201  
1 1 1 0   87  8  o 38.037  4.2517  801.265    172.166  722.925    257.817  864.317    231.295  35.469  6.9596  39.221  5.6041  -3.751720      8.935459  
1 1 1 0   87  9  o 46.287  4.0915  1180.90    203.009  1023.83    301.342  1311.42    274.699  42.407  6.7898  48.521  5.3139  -6.114204      8.621992  
1 1 1 0   87  10 o 127.894 3.1819  8914.81    440.760  8530.49    629.824  9283.68    617.032  124.652 4.6650  130.144 4.3774  -5.492218      6.397133  
1 1 1 0   87  11 o 174.266 3.6599  16597.64   690.807  16912.48   989.397  16298.15   964.959  175.088 5.2173  171.899 5.1828  3.188568       7.354007  
1 1 1 0   87  12 o 97.574  3.1807  5195.88    336.139  5328.89    500.441  5086.54    453.729  98.369  4.6971  96.219  4.3538  2.150124       6.404522  
1 1 1 0   87  13 o 40.255  5.0242  909.982    214.292  874.294    356.047  930.252    268.335  38.213  8.7862  40.296  6.3591  -2.083382      10.84601  
1 1 1 0   87  14 o 46.673  4.6674  1217.79    232.782  1218.33    373.008  1217.44    297.915  45.450  7.8618  46.166  6.1079  -0.7164192     9.955668  
1 1 1 0   87  15 o 68.470  3.7437  2590.52    276.581  2874.62    440.891  2406.16    355.157  71.190  5.7676  65.447  5.0493  5.742508       7.665499  
1 1 1 0   87  16 o 28.469  7.5493  489.228    236.578  809.010    391.984  306.002    296.711  35.751  9.8212  24.037  8.7687  11.71471       13.16613  
1 1 1 0   87  17 o 22.049  7.9221  258.993    240.951  624.407    402.601  55.061     300.762  31.483  10.273  19.283  8.2095  12.20000       13.15021  
1 1 1 0   87  18 o 21.881  8.1692  243.265    260.099  405.680    404.529  128.802    339.602  26.999  10.167  21.266  8.8684  5.733454       13.49112  
1 1 1 0   87  19 o 30.721  8.5214  596.487    293.472  754.430    502.220  514.589    361.641  33.419  11.483  28.636  9.7455  4.783142       15.06063  
1 1 1 0   87  20 o 14.168  2.1379  112.052    31.786   170.792    476.690  111.790    31.857   23.995  10.278  14.149  2.1461  9.846346       10.49988  
1 1 1 0   87  21 o 20.450  8.2499  169.871    281.729  0.0000     0.0000   169.871    281.729  ?       ?       20.450  8.2499  0.000000       8.249918  
1 1 1 0   88  0  o 58.145  4.4302  1850.19    276.900  2071.03    382.152  1606.07    401.777  61.317  5.8241  53.683  7.0830  7.634407       9.169988  
1 1 1 0   88  1  o 80.118  2.8422  3489.96    246.640  3605.42    349.433  3375.34    348.173  81.280  3.9692  78.518  4.1083  2.762177       5.712572  
1 1 1 0   88  2  o 73.059  2.9652  2903.22    234.641  2995.46    341.090  2820.36    323.290  73.918  4.2787  71.737  4.1789  2.180061       5.980850  
1 1 1 0   88  3  o 58.481  3.1135  1866.38    196.501  1703.71    280.272  2023.65    275.577  55.589  4.6990  60.715  4.2167  -5.126282      6.313595  
1 1 1 0   88  4  o 43.751  3.6902  1051.14    173.233  1011.47    239.297  1094.82    251.106  42.597  5.3014  44.334  5.3366  -1.737442      7.522245  
1 1 1 0   88  5  o 62.554  2.9438  2128.87    199.445  2087.28    291.116  2165.66    273.796  61.615  4.3910  62.837  4.0444  -1.221851      5.969738  
1 1 1 0   88  6  o 101.602 2.8937  5616.48    318.435  5842.71    457.593  5404.04    443.413  103.390 4.0863  99.426  4.1175  3.964012       5.801038  
1 1 1 0   88  7  o 101.939 3.0159  5657.32    332.983  5282.44    474.594  6020.77    467.308  98.197  4.4622  104.926 4.1120  -6.728714      6.067923  
1 1 1 0   88  8  o 105.214 3.0396  6028.27    346.383  5777.21    492.451  6274.11    487.309  102.682 4.4279  107.068 4.2022  -4.386894      6.104484  
1 1 1 0   88  9  o 90.003  3.0925  4413.08    301.470  4552.92    436.024  4285.02    417.278  91.137  4.4172  88.429  4.3567  2.707489       6.204257  
1 1 1 0   88  10 f 46.531  4.0001  1193.65    199.634  923.156    292.180  1430.50    273.405  40.107  6.9796  50.723  5.0434  -10.61668      8.611104  
1 1 1 0   88  11 f 50.700  4.0775  1418.09    222.018  1446.42    353.942  1399.71    285.076  50.468  6.6360  50.043  5.3421  0.4251633      8.519106  
1 1 1 0   88  12 o 89.251  3.2499  4352.48    314.160  4415.27    479.695  4305.31    415.720  89.229  4.9834  88.459  4.3390  0.7695770      6.607668  
1 1 1 0   88  13 o 17.923  7.0582  114.709    201.318  58.887     334.748  146.338    251.979  20.553  8.7016  19.987  7.8883  0.5660553      11.74493  
1 1 1 0   88  14 o 91.922  3.3906  4637.79    337.569  5419.94    503.416  3998.77    455.033  98.763  4.7061  84.566  4.9900  14.19720       6.859140  
1 1 1 0   88  15 o 53.565  4.3752  1602.42    251.621  1511.00    410.378  1657.49    318.519  50.429  7.7624  54.010  5.5226  -3.581802      9.526447  
1 1 1 0   88  16 o 87.783  3.6439  4250.00    346.452  4365.10    518.260  4157.01    465.837  87.821  5.4758  85.988  5.0236  1.832497       7.431113  
1 1 1 0   88  17 o 49.265  5.1579  1380.22    271.138  1146.59    442.990  1520.18    342.862  42.322  9.8489  51.138  6.3250  -8.816456      11.70502  
1 1 1 0   88  18 o 19.164  7.7453  129.679    248.813  373.317    436.764  12.624     302.740  26.680  10.429  18.548  8.0686  8.131845       13.18601  
1 1 1 0   88  19 o 23.564  8.4393  315.865    273.230  365.038    495.991  294.441    327.383  26.978  10.924  23.766  9.0990  3.212376       14.21737  
1 1 1 0   88  20 o 64.675  2.9701  2304.51    208.054  0.0000     0.0000   2304.51    208.054  ?       ?       64.675  2.9701  0.000000       2.970103  
1 1 1 0   88  21 o 57.893  6.0963  1967.03    376.513  0.0000     0.0000   1967.03    376.513  ?       ?       57.893  6.0963  0.000000       6.096272  
1 1 1 0   89  1  f 22.126  5.4401  279.738    129.458  193.938    189.416  354.948    177.341  19.904  7.0375  24.876  6.5074  -4.972469      9.585013  
1 1 1 0   89  2  o 68.794  2.9661  2574.83    221.007  2521.53    315.034  2626.49    310.127  67.772  4.3142  69.207  4.1566  -1.434814      5.990826  
1 1 1 0   89  3  o 64.603  3.0032  2271.12    210.136  2114.74    299.095  2423.55    295.297  62.000  4.4842  66.471  4.1220  -4.470463      6.090878  
1 1 1 0   89  4  o 22.077  5.7706  278.573    139.526  405.687    220.660  193.894    180.100  26.573  7.3955  19.687  6.8698  6.885717       10.09396  
1 1 1 0   89  5  o 15.340  5.7127  100.105    127.036  349.399    193.583  -88.4550   168.359  24.713  6.9443  12.680  5.7334  12.03309       9.005331  
1 1 1 0   89  6  o 70.239  3.1024  2686.71    236.018  2714.34    338.772  2660.65    329.003  70.251  4.4756  69.571  4.3887  0.6802063      6.268264  
1 1 1 0   89  7  o 78.384  3.0787  3346.19    261.380  3397.15    377.779  3299.40    362.018  78.615  4.4550  77.504  4.3299  1.111244       6.212486  
1 1 1 0   89  8  f 106.539 3.1171  6184.10    359.691  6246.27    512.775  6123.89    504.681  106.745 4.4352  105.702 4.4082  1.043091       6.253242  
1 1 1 0   89  9  o 81.366  3.1509  3609.26    277.678  3837.42    403.557  3404.11    382.667  83.501  4.4785  78.622  4.5126  4.879234       6.357728  
1 1 1 0   89  10 o 79.348  3.1894  3435.16    274.101  3319.74    405.480  3532.29    371.960  77.481  4.8563  80.107  4.3028  -2.626534      6.488262  
1 1 1 0   89  11 o 58.502  3.7869  1882.93    238.664  1954.98    384.732  1837.87    304.289  58.891  6.1212  57.481  4.9354  1.409698       7.863026  
1 1 1 0   89  12 o 93.466  3.2935  4780.27    333.406  4691.40    500.654  4851.10    446.923  91.824  5.0534  93.776  4.4002  -1.951797      6.700638  
1 1 1 0   89  13 o 116.899 3.3489  7493.54    424.017  7187.94    619.039  7763.65    581.977  113.609 5.0308  118.374 4.5392  -4.765701      6.775911  
1 1 1 0   89  14 o 44.946  4.8779  1138.67    233.653  1011.83    376.437  1218.16    298.007  40.645  8.8056  46.006  6.1333  -5.361500      10.73111  
1 1 1 0   89  15 o 73.514  3.6679  2979.24    292.053  2873.24    463.412  3049.08    376.156  70.882  6.0955  73.804  4.7306  -2.922043      7.715771  
1 1 1 0   89  16 o 45.542  5.0264  1176.73    243.806  1307.62    378.974  1084.31    318.456  46.672  7.7701  42.748  7.1290  3.923763       10.54503  
1 1 1 0   89  17 o 41.468  6.2355  1005.61    271.389  1081.20    415.082  949.164    358.672  41.192  9.4978  38.981  8.7142  2.211349       12.88972  
1 1 1 0   89  18 o 32.994  7.4164  666.440    258.585  679.304    438.046  659.560    320.359  32.153  10.726  32.183  8.8943  -0.3034592E-01 13.93435  
1 1 1 0   89  19 o 60.930  4.9103  2113.16    321.301  1797.94    580.757  2252.20    385.707  51.765  10.711  62.346  5.7775  -10.58057      12.17020  
1 1 1 0   89  20 o 26.318  9.1728  425.306    321.047  0.0000     0.0000   425.306    321.047  ?       ?       26.318  9.1728  0.000000       9.172777  
1 1 1 0   90  0  o 39.050  5.5691  849.193    228.876  736.155    311.497  981.824    337.414  35.845  8.2010  41.591  7.7761  -5.745750      11.30153  
1 1 1 0   90  1  o 55.795  3.1608  1700.55    190.227  1560.80    261.555  1857.48    277.167  53.187  4.5851  58.086  4.4391  -4.899372      6.381951  
1 1 1 0   90  2  o 80.214  2.9349  3501.23    254.984  3132.98    356.956  3884.92    364.362  75.535  4.3820  84.325  3.9894  -8.790245      5.925948  
1 1 1 0   90  3  o 54.599  3.2210  1629.40    189.635  1882.25    271.253  1387.66    265.218  58.495  4.3118  50.040  4.9588  8.455627       6.571191  
1 1 1 0   90  4  o 36.742  3.9035  745.528    152.960  606.788    226.746  861.387    207.208  32.502  6.6647  39.305  4.9789  -6.802715      8.319162  
1 1 1 0   90  5  o 30.966  4.4089  535.322    143.694  356.674    215.297  678.825    192.961  25.047  7.4136  34.745  5.2949  -9.698021      9.110342  
1 1 1 0   90  6  o 115.416 3.0810  7254.89    385.141  7460.25    562.725  7073.92    528.251  116.679 4.4528  113.665 4.2908  3.013657       6.183737  
1 1 1 0   90  7  o 35.382  5.0528  702.020    188.135  870.399    262.296  523.608    269.998  39.116  6.4134  29.969  8.1173  9.146555       10.34517  
1 1 1 0   90  8  o 63.367  3.5391  2199.60    241.926  2200.65    347.688  2198.61    336.841  62.987  5.1413  63.004  4.9766  -0.1732254E-01 7.155397  
1 1 1 0   90  9  o 107.907 3.1296  6351.04    365.773  6015.48    525.609  6666.13    509.336  104.573 4.6406  110.215 4.2667  -5.642639      6.303963  
1 1 1 0   90  10 o 67.262  3.3527  2472.56    244.254  2468.87    363.402  2475.61    329.879  66.642  5.0727  66.892  4.5807  -0.2500229     6.834877  
1 1 1 0   90  11 o 29.835  6.5651  519.519    206.390  371.190    341.848  604.599    258.901  26.444  9.4430  31.960  7.5919  -5.515713      12.11641  
1 1 1 0   90  12 o 61.561  3.9808  2095.68    264.004  2022.83    400.892  2151.47    350.816  59.559  6.3107  61.898  5.2834  -2.339554      8.230374  
1 1 1 0   90  13 o 81.474  3.4574  3647.00    305.101  3510.42    468.440  3747.63    402.079  78.896  5.5166  82.050  4.5421  -3.154030      7.145875  
1 1 1 0   90  14 o 43.727  1.8214  1039.89    86.260   363.281    369.524  1078.88    88.711   26.223  9.7476  44.537  1.8390  -18.31422      9.919569  
1 1 1 0   90  15 o 70.168  2.9541  2698.49    224.512  2877.25    460.984  2642.90    257.059  70.894  6.0618  69.300  3.4248  1.594345       6.962349  
1 1 1 0   90  16 o 42.059  5.4775  1015.22    243.603  1262.78    400.395  869.720    306.950  45.391  8.4553  37.855  7.7474  7.536167       11.46796  
1 1 1 0   90  17 o 14.212  6.5403  -140.3432  231.827  -398.9438  375.864  18.438     294.520  16.177  7.7157  18.438  7.9895  -2.261461      11.10695  
1 1 1 0   90  18 o 30.858  7.8428  592.234    262.681  810.263    459.670  486.509    320.095  34.607  10.948  27.905  9.1627  6.702147       14.27597  
1 1 1 0   90  19 o 15.141  6.8947  -108.1009  248.818  -139.0960  429.134  -92.4037   305.392  19.681  8.9981  17.081  7.7228  2.600224       11.85785  
1 1 1 0   91  1  o 62.357  2.9259  2116.08    197.612  2199.40    284.407  2038.31    274.773  63.281  4.1729  60.906  4.1908  2.375336       5.914055  
1 1 1 0   91  2  f 92.445  2.8633  4649.92    286.695  4759.00    412.647  4548.13    398.613  93.298  4.0835  91.218  4.0346  2.080147       5.740505  
1 1 1 0   91  3  o 12.477  5.3457  -4.4715    129.007  113.506    195.286  -95.8225   171.842  17.899  6.9801  12.713  5.7663  5.185763       9.053852  
1 1 1 0   91  4  o 32.899  4.2102  601.627    146.581  756.664    220.980  479.814    195.877  36.604  5.7645  28.872  6.4290  7.732706       8.634856  
1 1 1 0   91  5  o 37.114  4.1833  763.180    165.230  686.613    249.613  822.895    220.437  34.533  6.9149  38.266  5.4747  -3.732960      8.819754  
1 1 1 0   91  6  o 42.794  4.2542  1012.86    194.570  1001.18    279.491  1023.84    271.030  42.024  6.3375  42.588  6.0454  -0.5645905     8.758432  
1 1 1 0   91  7  o 51.352  3.8342  1450.29    211.718  1217.41    295.719  1695.18    303.250  46.481  6.0151  55.226  5.1283  -8.745224      7.904468  
1 1 1 0   91  8  o 73.577  3.3219  2955.66    264.725  2700.83    380.121  3195.65    368.888  69.789  5.0633  76.124  4.4940  -6.335487      6.769998  
1 1 1 0   91  9  o 18.350  6.7537  154.604    176.574  58.908     269.905  226.204    233.465  18.898  7.8957  21.516  7.7890  -2.618242      11.09102  
1 1 1 0   91  10 o 68.264  3.5516  2559.87    261.689  2430.80    365.330  2695.87    375.028  66.003  5.1512  69.581  5.0098  -3.578514      7.185562  
1 1 1 0   91  11 o 58.955  4.1019  1924.42    260.289  1937.71    390.355  1913.78    349.270  58.321  6.2786  58.246  5.6056  0.7527924E-01  8.416880  
1 1 1 0   91  12 o 23.609  7.5633  319.979    218.872  526.755    343.474  178.612    284.000  29.606  9.4737  21.272  8.3812  8.333246       12.64896  
1 1 1 0   91  13 o 89.722  3.0090  4408.75    292.409  4434.18    496.289  4395.23    361.896  88.878  5.1779  89.313  3.7411  -0.4349060     6.387987  
1 1 1 0   91  14 o 55.471  2.4546  1679.72    147.474  1618.47    402.367  1689.23    158.504  52.459  7.2776  55.594  2.6323  -3.135166      7.739069  
1 1 1 0   91  15 o 80.302  2.9877  3536.79    259.855  3136.03    492.410  3691.47    305.921  73.864  6.2126  81.867  3.4501  -8.002472      7.106328  
1 1 1 0   91  16 o 36.299  6.2944  775.499    238.498  740.073    394.342  795.931    299.479  33.827  10.038  36.034  7.8918  -2.207596      12.76895  
1 1 1 0   91  17 o 33.310  7.5227  679.995    264.992  444.308    471.628  788.726    320.337  28.140  10.882  35.455  8.4597  -7.315462      13.78391  
1 1 1 0   91  18 o 34.866  7.3765  745.136    269.866  522.473    470.387  854.382    329.484  29.179  10.968  36.788  8.4474  -7.609077      13.84383  
1 1 1 0   91  19 o 40.877  7.5197  1023.14    320.658  1473.84    917.386  960.416    342.245  41.823  15.394  39.072  8.3411  2.751793       17.50861  
1 1 1 0   92  0  o 156.162 4.7871  13296.59   809.690  12524.06   1142.87  14075.10   1147.29  150.980 6.9889  160.177 6.6131  -9.196304      9.621692  
1 1 1 0   92  1  o 61.515  3.0968  2066.18    205.669  2021.35    282.219  2116.96    300.346  60.607  4.3277  61.990  4.5041  -1.383247      6.246277  
1 1 1 0   92  2  o 77.379  2.9715  3259.86    249.039  2853.86    348.777  3682.18    355.712  72.019  4.4937  82.061  4.0022  -10.04160      6.017526  
1 1 1 0   92  3  o 107.834 3.0050  6332.46    350.965  6430.20    503.760  6240.27    489.236  108.349 4.2927  106.754 4.2312  1.594955       6.027455  
1 1 1 0   92  4  o 111.017 2.9896  6712.69    359.473  6563.84    511.556  6857.90    505.247  109.441 4.3156  111.910 4.1683  -2.468987      5.999966  
1 1 1 0   92  5  o 69.859  3.0850  2659.77    233.426  2693.70    349.664  2632.49    313.517  69.875  4.6467  69.189  4.2035  0.6859055      6.265876  
1 1 1 0   92  6  o 52.923  3.6988  1538.65    210.685  1528.96    303.326  1547.67    292.857  52.331  5.4307  52.719  5.1964  -0.3886948     7.516273  
1 1 1 0   92  7  o 16.656  6.6776  80.757     183.329  -235.5784  269.704  352.457    249.953  14.747  6.8784  25.095  8.0871  -10.34769      10.61664  
1 1 1 0   92  8  o 85.071  3.3082  3955.18    304.823  4198.51    455.845  3758.36    409.965  87.067  4.8531  82.454  4.6090  4.613258       6.692977  
1 1 1 0   92  9  o 39.531  5.2194  881.466    218.012  937.117    297.341  816.766    320.602  40.151  7.0969  37.045  8.2065  3.106293       10.84961  
1 1 1 0   92  10 o 38.533  5.5647  845.335    225.517  806.809    327.604  880.034    310.908  36.608  8.4357  38.544  7.7167  -1.935688      11.43280  
1 1 1 0   92  11 o 43.720  5.1980  1080.85    241.319  1160.87    363.298  1017.66    322.828  44.211  7.8757  41.518  7.4529  2.692944       10.84308  
1 1 1 0   92  12 o 57.773  2.5338  1821.62    158.551  1780.42    394.753  1829.55    173.129  55.512  6.7011  57.856  2.7628  -2.344299      7.248274  
1 1 1 0   92  13 o 62.888  3.8550  2190.45    261.312  2369.70    414.681  2072.39    336.537  64.426  6.0122  60.626  5.1747  3.799660       7.932465  
1 1 1 0   92  14 o 62.082  4.0828  2144.06    273.004  2101.94    419.776  2174.93    359.391  60.249  6.5377  61.918  5.4133  -1.669491      8.487948  
1 1 1 0   92  15 o 42.718  2.1282  994.944    98.469   1007.45    380.919  994.049    101.934  40.132  8.9870  42.630  2.2153  -2.498756      9.255977  
1 1 1 0   92  16 o 46.031  2.4205  1161.48    120.253  1538.20    415.094  1126.97    125.641  50.411  7.8587  45.305  2.5710  5.105865       8.268541  
1 1 1 0   92  17 o 18.795  7.8677  85.994     268.717  62.283     459.487  98.319     331.274  22.623  9.8885  20.488  8.6643  2.134840       13.14739  
1 1 1 0   92  18 f 31.302  7.8035  609.905    263.642  394.689    448.134  723.822    326.034  26.938  10.555  33.629  8.8361  -6.690739      13.76514  
1 1 1 0   93  1  f 10.619  4.8962  -100.1798  130.790  -148.2104  185.770  -52.9723   184.172  12.529  5.7973  13.962  6.1757  -1.432808      8.470431  
1 1 1 0   93  2  o 44.350  3.6325  1081.49    172.960  958.965    247.538  1198.36    241.767  41.279  5.6877  46.432  4.8804  -5.153545      7.494535  
1 1 1 0   93  3  o 35.185  4.3140  688.621    160.959  785.432    230.211  596.033    225.134  37.221  5.9077  32.135  6.6861  5.086712       8.922180  
1 1 1 0   93  4  o 49.284  3.6610  1334.85    194.028  1453.21    287.503  1235.85    262.935  51.050  5.2758  47.044  5.2498  4.006050       7.442720  
1 1 1 0   93  5  o 48.193  3.9192  1280.16    202.802  1565.52    292.308  1015.33    281.602  53.013  5.1560  42.250  6.3502  10.76331       8.179827  
1 1 1 0   93  6  o 66.832  3.2761  2439.38    237.145  2538.23    359.821  2363.47    315.316  67.639  4.9458  65.399  4.4784  2.239960       6.672172  
1 1 1 0   93  7  o 20.686  6.9932  228.302    186.205  279.767    320.060  201.970    228.937  24.294  9.0636  20.794  7.6837  3.499943       11.88227  
1 1 1 0   93  8  o 93.526  3.2857  4785.44    332.839  4712.69    472.190  4857.28    469.234  92.194  4.7448  93.764  4.6205  -1.569183      6.622811  
1 1 1 0   93  9  o 85.981  3.3844  4051.57    315.172  3994.44    447.070  4108.02    444.384  84.696  4.8944  85.943  4.7930  -1.247284      6.850411  
1 1 1 0   93  10 o 19.314  7.3097  165.673    209.756  -23.6621   306.530  332.402    287.650  18.463  8.0732  24.700  8.6784  -6.237520      11.85295  
1 1 1 0   93  11 o 29.380  1.7334  470.759    54.915   298.994    341.694  475.313    55.638   24.704  9.3343  29.521  1.7479  -4.816874      9.496549  
1 1 1 0   93  12 o 14.060  6.3037  -72.0210   198.659  -257.5580  340.413  23.801     244.637  16.616  7.7424  17.286  7.3827  -0.6704407     10.69804  
1 1 1 0   93  13 o 47.140  4.7213  1250.80    237.820  1581.75    388.912  1053.14    300.565  51.925  7.1013  42.374  6.7774  9.551575       9.816397  
1 1 1 0   93  14 o 49.748  4.6058  1391.75    245.353  1239.52    398.914  1484.37    311.169  45.017  8.4929  50.883  5.7469  -5.865925      10.25452  
1 1 1 0   93  15 o 49.181  4.6725  1365.28    245.908  1467.33    394.397  1300.38    314.534  49.453  7.6071  47.223  6.3072  2.229504       9.881710  
1 1 1 0   93  16 o 50.564  2.3938  1397.83    131.101  1364.30    423.465  1401.39    137.875  46.836  8.6669  50.603  2.5156  -3.767002      9.024589  
1 1 1 0   93  17 o 47.712  5.3087  1307.52    269.690  1152.93    443.464  1398.26    339.733  41.965  9.9143  48.622  6.6235  -6.656940      11.92328  
1 1 1 0   93  18 o 53.604  4.9996  1638.63    286.921  1526.44    464.313  1707.94    364.938  49.070  9.0703  53.917  6.3724  -4.846783      11.08503  
1 1 1 0   94  0  o 100.515 4.1955  5505.96    456.756  5239.77    664.956  5743.75    628.487  97.470  6.3330  102.240 5.6982  -4.769958      8.519188  
1 1 1 0   94  1  f 86.263  2.9368  4054.90    274.388  3413.88    398.786  4631.22    378.124  78.639  4.7036  92.000  3.7947  -13.36081      6.043431  
1 1 1 0   94  2  o 101.725 2.9484  5639.67    324.853  5257.02    461.109  6016.74    457.733  97.850  4.3509  104.782 4.0332  -6.932724      5.932701  
1 1 1 0   94  3  o 102.748 2.9690  5755.30    330.408  5794.71    481.618  5720.25    454.127  102.717 4.3290  102.127 4.1055  0.5903625      5.966195  
1 1 1 0   94  4  o 49.153  3.8141  1331.20    201.467  1341.83    310.812  1323.50    264.576  48.746  6.0145  48.688  5.0925  0.5756760E-01  7.880840  
1 1 1 0   94  5  o 70.917  3.2881  2748.40    252.560  2905.80    373.319  2615.55    342.956  72.406  4.7873  68.730  4.6341  3.676239       6.662846  
1 1 1 0   94  6  o 72.658  3.2326  2885.80    254.390  3094.40    390.650  2732.21    335.204  74.654  4.8577  70.281  4.4262  4.373718       6.571788  
1 1 1 0   94  7  o 76.660  3.4664  3219.97    287.821  3350.42    409.652  3092.80    404.478  77.607  4.8987  74.493  5.0428  3.114250       7.030452  
1 1 1 0   94  8  o 27.111  6.9695  433.976    205.785  845.841    304.645  88.333     279.081  37.754  7.7108  19.529  8.0829  18.22512       11.17088  
1 1 1 0   94  9  o 22.765  7.5499  289.921    217.131  104.559    309.020  470.676    305.156  20.538  8.5033  28.180  8.9204  -7.641981      12.32395  
1 1 1 0   94  10 o 20.898  7.0232  239.483    187.797  457.938    313.158  116.802    234.677  27.867  9.0586  18.818  7.5514  9.049034       11.79330  
1 1 1 0   94  11 o 36.488  5.8583  767.593    223.687  444.650    347.642  995.762    292.211  27.732  9.5520  41.285  6.7695  -13.55291      11.70751  
1 1 1 0   94  12 o 54.234  4.2958  1640.92    250.275  1608.92    395.983  1662.21    322.960  52.381  7.1678  54.045  5.5984  -1.664677      9.095001  
1 1 1 0   94  13 o 36.216  6.2935  767.356    237.906  686.224    375.789  821.624    307.339  32.969  9.8028  36.774  7.9481  -3.805614      12.62011  
1 1 1 0   94  14 o 27.610  7.2930  461.552    221.340  458.426    372.037  463.265    275.377  27.863  9.8616  27.546  8.4364  0.3168240      12.97783  
1 1 1 0   94  15 o 51.572  4.9544  1509.25    273.337  1588.40    437.545  1458.59    350.046  51.033  8.1932  49.808  6.6551  1.224407       10.55550  
1 1 1 0   94  16 o 45.722  2.6147  1149.05    128.945  1635.18    429.526  1100.90    135.180  51.835  7.9004  44.701  2.8063  7.134548       8.384029  
1 1 1 0   94  17 o 17.432  7.3280  61.922     234.688  -26.3074   381.523  115.630    297.668  19.928  8.8479  20.000  8.3186  -0.7222557E-01 12.14428  
1 1 1 0   95  1  o 18.999  6.2087  195.564    147.038  274.116    211.588  122.201    204.481  22.431  7.4536  18.271  7.1377  4.160089       10.32003  
1 1 1 0   95  2  o 32.421  4.9001  592.847    166.701  756.655    254.538  469.820    220.591  36.172  6.7452  28.315  7.1820  7.857161       9.852845  
1 1 1 0   95  3  o 56.997  3.3904  1782.85    208.354  1689.03    304.651  1865.30    285.586  54.988  5.1761  57.994  4.5840  -3.005505      6.914092  
1 1 1 0   95  4  o 85.182  3.0306  3962.01    279.603  3770.58    404.913  4136.48    386.562  82.559  4.5457  86.738  4.1147  -4.179131      6.131444  
1 1 1 0   95  5  o 61.419  3.6706  2076.22    243.062  2182.50    364.147  1990.82    326.422  62.390  5.4433  59.694  5.0976  2.695782       7.457540  
1 1 1 0   95  6  o 30.393  6.2896  537.676    200.219  430.863    305.310  618.273    265.209  27.332  8.9473  32.230  7.7023  -4.898012      11.80591  
1 1 1 0   95  7  o 21.870  7.3676  261.961    206.674  372.624    327.561  188.769    266.392  26.148  9.2536  21.170  8.1811  4.977983       12.35147  
1 1 1 0   95  8  o 59.912  3.9421  1985.87    254.380  1731.57    385.995  2181.12    338.217  54.870  6.6294  62.389  5.0484  -7.519073      8.332787  
1 1 1 0   95  9  o 44.474  5.0468  1115.51    238.799  1109.62    341.642  1121.13    333.917  43.345  7.5516  43.681  7.3167  -0.3356705     10.51480  
1 1 1 0   95  10 o 27.463  7.2594  449.899    219.203  339.104    321.548  546.093    299.613  25.212  9.1388  29.980  8.7096  -4.768877      12.62439  
1 1 1 0   95  11 o 33.037  6.4335  640.891    221.930  653.688    347.828  632.104    288.220  32.443  9.3725  32.189  8.2339  0.2546844      12.47561  
1 1 1 0   95  12 o 30.707  6.9868  563.528    227.142  519.259    362.469  592.153    291.470  29.279  9.7569  31.047  8.4442  -1.767376      12.90356  
1 1 1 0   95  13 o 32.738  6.8728  639.900    235.939  439.510    374.538  771.741    303.796  27.556  9.8795  35.492  8.0836  -7.935898      12.76519  
1 1 1 0   95  14 o 29.893  7.2414  542.116    231.981  244.464    415.467  676.951    279.630  24.512  9.9719  33.191  7.8937  -8.678362      12.71808  
1 1 1 0   95  15 o 75.191  3.8349  3144.11    311.276  2911.90    504.441  3286.91    395.568  70.509  6.6852  76.319  4.8100  -5.809196      8.235804  
1 1 1 0   95  16 o 56.633  4.8171  1816.97    292.672  2189.64    450.619  1545.06    384.907  60.824  6.9657  50.855  7.1883  9.969082       10.00963  
1 1 1 0   96  0  o 87.629  4.0463  4190.09    384.044  4232.19    550.195  4150.09    536.311  87.528  5.8371  86.698  5.7439  0.8296204      8.189251  
1 1 1 0   96  1  o 78.893  3.0640  3400.20    261.819  3126.55    398.423  3608.19    347.347  74.984  4.9333  81.035  3.9575  -6.050797      6.324461  
1 1 1 0   96  2  o 53.269  3.7440  1564.46    214.639  1534.69    299.246  1596.00    308.037  52.275  5.3610  53.301  5.4108  -1.025715      7.616891  
1 1 1 0   96  3  o 59.235  3.5842  1930.76    228.871  1992.58    341.678  1880.44    308.243  59.613  5.3488  58.041  4.9506  1.571709       7.288226  
1 1 1 0   96  4  o 42.139  4.8860  997.060    218.867  1141.10    315.580  863.564    303.806  44.447  6.7691  38.247  7.6017  6.200668       10.17874  
1 1 1 0   96  5  o 48.953  4.4000  1334.18    230.802  1163.48    363.103  1449.90    298.972  44.400  7.8370  50.660  5.5390  -6.259857      9.596866  
1 1 1 0   96  6  o 51.932  4.2228  1498.09    235.465  1477.80    364.626  1512.60    308.389  50.585  6.8298  51.705  5.5961  -1.120255      8.829586  
1 1 1 0   96  7  o 37.131  5.6768  788.911    221.048  731.230    347.225  828.218    286.635  34.550  9.1382  37.454  7.3282  -2.903835      11.71366  
1 1 1 0   96  8  f 72.075  3.5834  2854.81    279.740  2669.98    420.798  3001.17    374.466  68.733  5.7040  73.362  4.7380  -4.629227      7.415193  
1 1 1 0   96  9  o 46.186  4.8714  1199.98    240.010  1005.97    348.542  1374.94    330.988  40.911  8.1521  48.844  6.4114  -7.933186      10.37127  
1 1 1 0   96  10 o 28.795  7.1549  495.736    222.163  664.477    328.092  352.850    301.911  32.813  8.9734  25.220  8.8883  7.592976       12.63027  
1 1 1 0   96  11 o 72.449  3.6465  2899.75    285.221  2782.44    430.740  2991.35    380.620  69.959  5.7350  73.046  4.8383  -3.086571      7.503281  
1 1 1 0   96  12 o 38.595  6.1034  866.507    246.651  780.340    371.397  934.500    329.910  35.117  9.5239  39.202  8.0397  -4.084976      12.46359  
1 1 1 0   96  13 o 18.712  7.3835  136.797    220.716  3.9502     403.526  193.507    263.650  21.016  9.2242  20.914  8.1230  0.1013927      12.29107  
1 1 1 0   96  14 o 57.414  4.4122  1850.64    272.275  1996.48    464.881  1774.48    335.919  57.732  7.6209  55.590  5.6580  2.141537       9.491638  
1 1 1 0   96  15 o 72.544  3.9137  2930.10    306.374  2741.27    501.322  3042.67    387.066  68.262  6.8741  73.368  4.8991  -5.105492      8.441186  
1 1 1 0   96  16 f 69.365  4.0769  2687.51    304.951  2428.15    485.425  2856.60    391.947  63.970  7.1273  70.896  5.1392  -6.926762      8.786894  
1 1 1 0   97  1  o 38.161  4.4310  814.660    179.737  1121.56    270.962  573.523    240.185  44.422  5.7678  31.132  7.2571  13.29002       9.269991  
1 1 1 0   97  2  o 29.403  5.6597  498.585    173.699  284.641    271.846  646.197    225.805  23.447  8.4157  33.311  6.4919  -9.864368      10.62872  
1 1 1 0   97  3  o 71.705  3.4409  2819.26    267.231  2886.56    381.319  2754.30    374.614  71.937  4.9236  70.249  4.9552  1.687614       6.985440  
1 1 1 0   97  4  o 83.606  3.3056  3829.91    299.336  3868.31    428.985  3793.48    417.885  83.376  4.7702  82.600  4.6903  0.7762527      6.689816  
1 1 1 0   97  5  o 18.180  7.1137  124.747    203.359  -158.3733  300.833  362.986    275.961  16.554  7.5550  25.356  8.5137  -8.801369      11.38243  
1 1 1 0   97  6  o 27.060  6.8769  432.897    201.973  822.381    307.716  138.103    267.709  37.090  7.9017  20.136  8.0705  16.95448       11.29472  
1 1 1 0   97  7  o 43.054  4.8395  1042.64    221.766  938.564    332.265  1126.25    297.805  39.597  8.0222  44.181  6.4106  -4.584179      10.26896  
1 1 1 0   97  8  o 61.035  3.8206  2060.22    251.296  2203.95    370.901  1938.25    341.669  62.440  5.5420  58.569  5.4485  3.870270       7.771704  
1 1 1 0   97  9  f 57.787  4.0020  1852.86    248.943  1875.68    348.171  1828.99    356.078  57.465  5.6678  56.635  5.8911  0.8305359      8.174881  
1 1 1 0   97  10 o 95.204  3.2291  4975.79    332.975  4953.62    478.492  4996.61    463.655  94.290  4.6853  94.793  4.5160  -0.5026932     6.507385  
1 1 1 0   97  11 o 39.308  5.5864  887.971    231.148  998.661    364.073  813.223    299.181  40.299  8.6028  36.658  7.7761  3.641018       11.59641  
1 1 1 0   97  12 o 25.305  7.8307  382.882    236.560  606.771    358.659  210.488    314.722  31.077  9.6463  22.278  8.8085  8.799076       13.06291  
1 1 1 0   97  13 o 59.944  4.3838  2013.85    282.650  1720.97    471.896  2177.72    352.972  53.021  8.5047  61.866  5.3193  -8.845295      10.03126  
1 1 1 0   97  14 o 16.077  7.0786  -28.7822   239.261  -21.6222   407.748  -32.5422   295.478  20.705  9.1721  17.736  7.8346  2.969654       12.06267  
1 1 1 0   97  15 o 42.490  5.6534  1044.28    253.719  1447.00    438.905  842.161    310.937  48.246  8.7202  36.950  8.0011  11.29573       11.83469  
1 1 1 0   98  0  f 55.855  5.0599  1725.84    302.787  1764.54    452.552  1694.47    407.409  55.738  7.7020  54.815  7.0237  0.9236908      10.42371  
1 1 1 0   98  1  o 56.527  3.9314  1766.87    239.204  1744.92    349.500  1786.22    328.085  55.467  5.9086  56.314  5.4471  -0.8468246     8.036265  
1 1 1 0   98  2  o 133.257 3.3451  9731.77    482.800  10061.59   684.088  9404.46    681.486  134.730 4.6879  130.161 4.8340  4.568573       6.733758  
1 1 1 0   98  3  o 105.192 3.1511  6057.01    359.014  6309.69    518.317  5823.98    497.751  106.783 4.4815  102.592 4.4795  4.191315       6.336383  
1 1 1 0   98  4  o 67.566  3.5942  2514.19    262.082  2449.87    375.119  2575.52    366.319  66.060  5.2871  67.858  5.0197  -1.798843      7.290456  
1 1 1 0   98  5  o 50.275  4.3864  1408.26    236.458  1632.78    347.628  1214.94    322.578  53.496  6.1092  45.817  6.6982  7.678875       9.065774  
1 1 1 0   98  6  o 41.750  5.1379  985.907    227.436  817.743    327.710  1142.17    315.901  36.739  8.4163  44.328  6.7965  -7.589222      10.81784  
1 1 1 0   98  7  o 71.687  3.5046  2824.37    272.111  2699.24    400.304  2931.85    371.009  69.211  5.3823  72.453  4.7542  -3.241501      7.181348  
1 1 1 0   98  8  o 52.650  4.2122  1543.42    238.193  1507.23    353.029  1573.66    322.721  51.072  6.5316  52.556  5.7639  -1.484249      8.711216  
1 1 1 0   98  9  o 30.050  6.7883  536.706    215.725  688.339    300.169  374.725    310.243  33.553  8.3045  25.765  9.0150  7.787535       12.25705  
1 1 1 0   98  10 o 46.563  4.5255  1217.47    225.350  1271.88    329.429  1169.62    308.943  46.654  6.7126  44.779  6.5648  1.874775       9.389086  
1 1 1 0   98  11 o 83.809  3.3961  3867.31    308.279  3890.24    450.146  3847.05    423.058  83.116  5.0239  82.829  4.7354  0.2875595      6.903898  
1 1 1 0   98  12 o 42.629  5.6401  1046.64    254.018  1260.57    378.285  870.955    342.802  45.624  7.9439  37.410  8.6354  8.213886       11.73352  
1 1 1 0   98  13 o 17.354  7.3480  46.636     238.733  -31.4131   410.502  86.525     293.464  20.685  9.1811  19.530  8.2012  1.155312       12.31066  
1 1 1 0   98  14 o 33.319  6.9597  667.922    243.062  718.876    432.366  644.378    293.899  33.161  10.631  32.135  8.3633  1.026653       13.52639  
1 1 1 0   99  1  o 128.709 3.4112  9086.28    475.541  9011.54    703.852  9149.06    645.024  127.182 5.1096  128.467 4.6357  -1.284645      6.899112  
1 1 1 0   99  2  o 45.632  4.6575  1165.84    226.964  1293.75    329.645  1050.55    312.955  47.355  6.6070  42.411  7.0613  4.944550       9.670265  
1 1 1 0   99  3  o 56.191  4.2555  1754.01    257.068  1862.93    371.428  1653.86    356.150  57.189  6.0901  53.791  6.2281  3.397964       8.710839  
1 1 1 0   99  4  o 53.344  4.1099  1579.59    235.631  1917.52    366.675  1341.88    307.536  58.089  5.9103  48.473  5.9848  9.616291       8.411280  
1 1 1 0   99  5  o 122.529 3.3206  8236.43    440.683  7760.01    639.539  8667.14    608.089  117.971 5.0052  125.027 4.4905  -7.056000      6.724324  
1 1 1 0   99  6  o 74.559  3.6399  3058.54    293.937  2806.87    431.871  3275.73    401.200  70.418  5.7116  76.549  4.8642  -6.130814      7.502179  
1 1 1 0   99  7  f 33.054  6.3979  640.081    220.773  685.660    350.167  610.010    284.425  33.254  9.3381  31.668  8.2203  1.585745       12.44082  
1 1 1 0   99  8  o 24.920  7.2866  368.491    209.103  332.103    317.836  396.261    277.653  24.913  9.0775  26.000  8.5335  -1.087194      12.45873  
1 1 1 0   99  9  o 47.960  5.0314  1301.14    257.466  1591.38    398.093  1092.44    337.570  51.976  7.2705  42.779  7.5622  9.197235       10.49034  
1 1 1 0   99  10 o 42.579  5.2612  1033.96    237.473  1056.23    394.944  1021.35    297.200  41.154  9.1018  41.629  6.8283  -0.4744835     11.37849  
1 1 1 0   99  11 o 48.071  4.6827  1303.23    240.712  1286.92    357.403  1316.78    325.646  46.484  7.3426  47.481  6.5032  -0.9962502     9.808386  
1 1 1 0   99  12 o 53.810  4.5210  1627.82    261.050  1554.73    401.116  1681.52    343.831  51.023  7.4805  53.975  5.9820  -2.952766      9.578205  
1 1 1 0   99  13 o 94.528  3.2596  4920.05    333.730  5220.50    587.700  4777.06    405.441  95.622  5.7004  92.738  4.0365  2.883873       6.984815  
1 1 1 0   100 0  o 38.101  9.5359  858.196    392.587  1290.20    647.059  606.527    493.875  45.947  12.617  33.185  11.388  12.76223       16.99598  
1 1 1 0   100 1  o 26.014  7.5448  400.555    225.003  720.569    407.326  260.027    269.922  34.035  10.225  22.753  8.3539  11.28124       13.20411  
1 1 1 0   100 2  o 33.505  6.6502  658.528    232.816  437.979    363.357  812.135    303.240  27.808  9.7548  36.832  7.8418  -9.023579      12.51600  
1 1 1 0   100 3  o 22.739  7.4396  292.194    211.096  -44.3620   296.280  639.194    300.842  17.846  7.8663  32.424  8.4726  -14.57807      11.56130  
1 1 1 0   100 4  o 14.021  6.3368  -92.6347   205.372  -40.1132   283.989  -150.2149  297.351  17.522  7.7133  16.488  7.5193  1.034031       10.77198  
1 1 1 0   100 5  o 60.876  3.8922  2051.92    255.291  1985.81    367.043  2113.87    355.314  59.099  5.8092  61.174  5.4187  -2.075466      7.944107  
1 1 1 0   100 6  o 35.344  6.0265  724.574    222.427  641.793    315.924  805.940    313.212  32.301  8.7938  36.456  8.1383  -4.154713      11.98178  
1 1 1 0   100 7  o 23.556  7.5576  321.037    218.477  65.236     318.978  547.085    299.854  20.015  8.4852  29.904  8.7205  -9.889456      12.16736  
1 1 1 0   100 8  o 53.234  4.2417  1581.33    242.542  1408.27    362.994  1720.91    325.994  48.975  7.0460  54.990  5.5493  -6.015263      8.968860  
1 1 1 0   100 9  o 47.903  4.9483  1297.67    253.033  1143.85    401.321  1399.17    325.995  43.005  8.9088  49.158  6.2651  -6.153049      10.89123  
1 1 1 0   100 10 o 34.105  6.4485  686.642    229.477  803.026    387.361  623.711    284.839  35.446  9.7738  31.807  8.2117  3.638578       12.76557  
1 1 1 0   100 11 o 80.519  3.5594  3578.20    310.419  3410.56    468.345  3709.55    414.558  77.353  5.6287  81.278  4.7296  -3.924576      7.351921  
1 1 1 0   100 12 o 59.232  4.1446  1958.92    264.218  1605.06    390.855  2256.71    358.553  52.085  7.1144  63.010  5.3031  -10.92466      8.873416  
1 1 1 0   101 1  o 21.180  7.9266  212.769    245.169  21.039     380.612  348.739    320.523  20.986  9.0879  25.417  9.1366  -4.431461      12.88672  
1 1 1 0   101 2  f 25.595  7.5439  387.749    223.336  234.420    386.133  464.829    273.776  24.267  9.7045  27.854  8.3865  -3.587017      12.82619  
1 1 1 0   101 3  o 44.362  5.2714  1115.93    248.322  995.822    388.331  1199.01    322.990  40.193  9.1284  45.374  6.7802  -5.180962      11.37095  
1 1 1 0   101 4  o 22.699  7.6843  287.167    224.833  260.994    323.337  311.669    312.846  23.594  9.0404  24.464  8.9919  -0.8698559     12.75082  
1 1 1 0   101 5  o 36.136  6.0094  756.643    226.944  658.452    336.356  838.696    307.478  32.612  9.1501  37.317  7.8558  -4.705006      12.05975  
1 1 1 0   101 6  o 39.565  5.4118  894.571    225.830  967.600    323.302  824.988    315.581  40.183  7.7088  36.850  8.1253  3.333076       11.20027  
1 1 1 0   101 7  o 34.042  6.1371  676.744    217.954  754.780    303.923  594.118    312.732  35.168  8.1399  31.010  8.8660  4.157778       12.03594  
1 1 1 0   101 8  o 70.303  3.5144  2722.94    267.602  2766.00    384.485  2682.48    372.685  70.035  5.1038  69.008  5.0206  1.026390       7.159281  
1 1 1 0   101 9  o 59.606  4.2629  1984.34    273.394  1755.57    431.138  2138.21    353.573  54.347  7.5263  61.348  5.3754  -7.000782      9.248803  
1 1 1 0   101 10 o 17.150  7.0926  71.087     214.632  132.238    372.426  40.676     262.633  22.115  9.2604  18.001  7.6676  4.114927       12.02272  
1 1 1 0   101 11 o 33.370  6.8870  665.713    240.665  589.943    370.667  720.933    316.433  30.651  9.8451  34.022  8.5867  -3.370565      13.06357  
1 1 1 0   102 0  o 79.588  5.5572  3512.57    476.036  3462.15    702.597  3555.35    647.239  77.831  8.4714  79.267  7.6332  -1.436058      11.40309  
1 1 1 0   102 1  o 48.875  4.7676  1341.97    249.166  1178.77    416.902  1432.66    310.777  43.805  9.0850  50.079  5.8392  -6.274059      10.79968  
1 1 1 0   102 2  o 28.728  8.3041  499.503    272.973  802.876    471.515  346.569    334.780  35.439  11.070  25.480  9.3114  9.958569       14.46550  
1 1 1 0   102 3  f 73.677  3.4168  2983.72    272.664  2725.50    403.742  3200.24    369.713  69.465  5.4089  75.760  4.5263  -6.294647      7.052907  
1 1 1 0   102 4  o 85.636  3.3407  4029.19    309.858  4016.57    445.289  4041.03    431.451  84.693  4.8749  85.048  4.7020  -0.3552780     6.772978  
1 1 1 0   102 5  f 46.287  5.1457  1214.17    253.604  1497.05    385.790  998.914    336.534  50.426  7.2741  40.727  7.9142  9.698067       10.74926  
1 1 1 0   102 6  o 46.570  5.0067  1226.89    248.572  1376.51    384.357  1119.33    325.899  48.096  7.6333  43.516  7.1639  4.579769       10.46843  
1 1 1 0   102 7  o 32.842  6.8018  641.386    233.988  648.375    350.771  635.783    314.078  32.157  9.4475  32.005  8.7909  0.1515236      12.90483  
1 1 1 0   102 8  o 57.170  3.9467  1817.66    242.891  1627.93    350.198  1993.54    337.172  53.076  6.2091  59.275  5.3080  -6.199070      8.168723  
1 1 1 0   102 9  o 38.207  5.9709  847.752    239.003  978.296    369.253  753.628    313.542  39.695  8.8178  34.942  8.3905  4.752888       12.17189  
1 1 1 0   102 10 o 55.060  4.3957  1698.30    259.955  1423.59    426.632  1860.52    327.843  48.281  8.4672  57.198  5.3542  -8.917206      10.01799  
1 1 1 0   103 1  o 60.363  4.5822  2037.91    297.348  2027.97    466.182  2044.73    386.080  58.708  7.5030  59.776  6.0463  -1.068268      9.636057  
1 1 1 0   103 2  f 25.000  7.6434  369.569    226.156  336.047    388.025  386.816    278.315  25.928  9.9109  25.768  8.5478  0.1595840      13.08779  
1 1 1 0   103 3  f 49.282  4.6024  1362.83    242.822  1536.98    369.138  1230.00    322.393  51.361  6.8031  45.930  6.6761  5.430756       9.531621  
1 1 1 0   103 4  o 96.086  3.2771  5072.16    341.051  5522.44    489.464  4647.25    475.477  99.612  4.5367  91.096  4.8364  8.515831       6.631133  
1 1 1 0   103 5  o 80.119  3.5257  3535.73    305.951  3151.65    432.175  3921.60    433.186  74.642  5.3818  83.655  4.8010  -9.012344      7.212064  
1 1 1 0   103 6  o 27.900  7.4012  469.913    227.332  386.387    328.911  546.309    314.560  26.110  9.2691  29.765  8.9957  -3.654825      12.91665  
1 1 1 0   103 7  o 40.198  5.7534  931.392    243.351  723.935    363.944  1099.15    327.272  33.873  9.5229  43.009  7.2857  -9.135307      11.99025  
1 1 1 0   103 8  o 30.432  6.8704  553.804    221.089  455.343    342.544  624.110    289.452  27.691  9.4844  31.830  8.3074  -4.139818      12.60817  
1 1 1 0   103 9  o 25.789  7.8359  398.977    238.207  217.612    394.654  502.919    298.768  23.885  9.7181  28.641  8.7900  -4.755396      13.10361  
1 1 1 0   104 0  o 34.745  9.2471  715.653    354.120  1223.23    614.628  463.436    433.258  44.532  12.325  29.748  10.630  14.78331       16.27561  
1 1 1 0   104 1  o 39.543  5.7688  900.555    239.801  695.798    406.685  1009.69    296.909  33.178  10.267  41.439  6.8549  -8.260933      12.34550  
1 1 1 0   104 2  o 78.043  3.8296  3364.30    323.709  4161.83    524.178  2872.63    411.568  85.638  5.6835  71.268  5.3714  14.37097       7.820062  
1 1 1 0   104 3  o 46.550  4.6839  1219.62    232.948  1210.66    339.784  1227.58    319.983  45.281  7.1667  45.866  6.6340  -0.5841484     9.765793  
1 1 1 0   104 4  o 37.313  5.6663  802.375    221.801  896.138    323.340  719.043    304.826  38.429  8.0273  34.232  8.3060  4.196918       11.55103  
1 1 1 0   104 5  o 48.205  4.7031  1307.72    242.425  1251.55    364.315  1352.35    324.765  45.817  7.6082  48.302  6.3625  -2.485027      9.918028  
1 1 1 0   104 6  o 84.259  3.5810  3913.28    326.809  3912.49    458.689  3914.10    465.748  83.362  5.1048  83.329  5.1861  0.3313446E-01  7.276986  
1 1 1 0   104 7  o 94.170  3.2851  4875.34    335.063  5145.87    486.421  4631.07    462.208  96.013  4.6775  90.957  4.7078  5.055740       6.636451  
1 1 1 0   105 1  o 21.969  7.9214  252.608    241.120  314.595    440.322  226.059    288.166  26.258  10.407  22.191  8.5270  4.067341       13.45440  
1 1 1 0   105 2  o 29.516  7.6357  527.153    245.954  313.490    415.431  642.464    305.190  25.876  10.155  32.290  8.5801  -6.413504      13.29471  
1 1 1 0   105 3  o 74.145  3.5292  3027.42    283.417  3242.76    434.003  2867.30    374.231  75.777  5.3217  71.479  4.8628  4.298073       7.208809  
1 1 1 0   105 4  o 56.587  4.1852  1784.51    254.689  1690.85    360.456  1877.88    359.913  54.145  6.2620  57.290  5.8839  -3.144928      8.592567  
1 1 1 0   105 5  o 64.641  3.8181  2315.67    266.131  2512.12    378.591  2123.77    374.179  66.655  5.2874  61.031  5.7276  5.624176       7.795003  
1 1 1 0   106 0  o 48.333  7.0121  1330.90    356.365  873.743    539.887  1683.86    474.393  38.165  11.833  53.957  8.3901  -15.79181      14.50581  
1 1 1 0   106 1  o 55.610  4.7294  1736.17    282.158  1590.76    437.067  1840.08    369.461  51.521  8.0997  56.605  6.1238  -5.084286      10.15407  
1 1 1 0   106 2  o 87.132  3.6765  4185.80    346.964  4422.91    556.005  4034.58    444.029  88.206  5.8531  84.863  4.8510  3.343521       7.601995  
1 1 1 1   0   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   3  f 173.489 4.9030  16342.29   919.648  16342.29   919.648  16342.29   919.648  173.489 4.9030  173.489 4.9030  0.000000       0.000000  
1 1 1 1   0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   6  o 340.170 8.3234  62830.69   3062.52  62830.69   3062.52  62830.69   3062.52  340.170 8.3234  340.170 8.3234  0.000000       0.000000  
1 1 1 1   0   7  o 110.685 3.8653  6660.52    462.101  6660.52    462.101  6660.52    462.101  110.685 3.8653  110.685 3.8653  0.000000       0.000000  
1 1 1 1   0   8  o 49.121  3.3619  1325.20    176.937  1325.20    176.937  1325.20    176.937  49.121  3.3619  49.121  3.3619  0.000000       0.000000  
1 1 1 1   0   9  o 17.779  5.6962  216.633    96.731   216.633    96.731   216.633    96.731   17.779  5.6962  17.779  5.6962  0.000000       0.000000  
1 1 1 1   0   10 o 223.814 5.8958  27192.98   1426.99  27192.98   1426.99  27192.98   1426.99  223.814 5.8958  223.814 5.8958  0.000000       0.000000  
1 1 1 1   0   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   12 o 51.456  3.7883  1457.22    208.497  1457.22    208.497  1457.22    208.497  51.456  3.7883  51.456  3.7883  0.000000       0.000000  
1 1 1 1   0   13 o 461.918 13.385  116030.20  6683.88  116030.20  6683.88  116030.20  6683.88  461.918 13.385  461.918 13.385  0.000000       0.000000  
1 1 1 1   0   14 o 547.034 18.348  163182.50  10843.19 163182.50  10843.19 163182.50  10843.19 547.034 18.348  547.034 18.348  0.000000       0.000000  
1 1 1 1   0   15 o 31.994  7.6766  641.556    230.721  641.556    230.721  641.556    230.721  31.994  7.6766  31.994  7.6766  0.000000       0.000000  
1 1 1 1   0   16 o 392.351 9.4627  83644.50   4015.94  83644.50   4015.94  83644.50   4015.94  392.351 9.4627  392.351 9.4627  0.000000       0.000000  
1 1 1 1   0   17 o 79.034  3.3454  3401.76    285.204  3401.76    285.204  3401.76    285.204  79.034  3.3454  79.034  3.3454  0.000000       0.000000  
1 1 1 1   0   18 o 136.809 4.4886  10174.78   663.491  10174.78   663.491  10174.78   663.491  136.809 4.4886  136.809 4.4886  0.000000       0.000000  
1 1 1 1   0   19 o 400.190 9.6723  87164.85   4186.88  87164.85   4186.88  87164.85   4186.88  400.190 9.6723  400.190 9.6723  0.000000       0.000000  
1 1 1 1   0   20 o 76.402  4.1769  3191.62    343.283  3191.62    343.283  3191.62    343.283  76.402  4.1769  76.402  4.1769  0.000000       0.000000  
1 1 1 1   0   21 o 41.099  5.7843  968.864    242.826  968.864    242.826  968.864    242.826  41.099  5.7843  41.099  5.7843  0.000000       0.000000  
1 1 1 1   0   22 o 221.800 5.9404  26748.74   1424.77  26748.74   1424.77  26748.74   1424.77  221.800 5.9404  221.800 5.9404  0.000000       0.000000  
1 1 1 1   0   23 o 199.678 5.4856  21682.56   1184.37  21682.56   1184.37  21682.56   1184.37  199.678 5.4856  199.678 5.4856  0.000000       0.000000  
1 1 1 1   0   24 o 80.251  3.4317  3510.14    297.044  3510.14    297.044  3510.14    297.044  80.251  3.4317  80.251  3.4317  0.000000       0.000000  
1 1 1 1   0   25 o 100.176 4.1920  5473.79    453.026  5473.79    453.026  5473.79    453.026  100.176 4.1920  100.176 4.1920  0.000000       0.000000  
1 1 1 1   0   26 o 140.837 4.5700  10812.24   695.459  10812.24   695.459  10812.24   695.459  140.837 4.5700  140.837 4.5700  0.000000       0.000000  
1 1 1 1   0   27 o 95.948  3.8014  5025.65    393.633  5025.65    393.633  5025.65    393.633  95.948  3.8014  95.948  3.8014  0.000000       0.000000  
1 1 1 1   0   28 o 14.696  8.9950  105.942    273.464  105.942    273.464  105.942    273.464  14.696  8.9950  14.696  8.9950  0.000000       0.000000  
1 1 1 1   0   29 o 146.885 5.1227  11843.78   812.733  11843.78   812.733  11843.78   812.733  146.885 5.1227  146.885 5.1227  0.000000       0.000000  
1 1 1 1   0   30 f 129.562 4.6831  9219.85    655.228  9219.85    655.228  9219.85    655.228  129.562 4.6831  129.562 4.6831  0.000000       0.000000  
1 1 1 1   0   31 o 9.6669  6.7839  -274.7593  271.004  -274.7593  271.004  -274.7593  271.004  9.6669  6.7839  9.6669  6.7839  0.000000       0.000000  
1 1 1 1   0   32 o 128.346 4.7511  9105.36    658.405  9105.36    658.405  9105.36    658.405  128.346 4.7511  128.346 4.7511  0.000000       0.000000  
1 1 1 1   0   33 f 12.120  8.0893  -63.4630   290.224  -63.4630   290.224  -63.4630   290.224  12.120  8.0893  12.120  8.0893  0.000000       0.000000  
1 1 1 1   0   34 o 23.886  11.093  517.692    318.068  517.692    318.068  517.692    318.068  23.886  11.093  23.886  11.093  0.000000       0.000000  
1 1 1 1   0   35 o 44.822  7.9981  1286.35    351.451  1286.35    351.451  1286.35    351.451  44.822  7.9981  44.822  7.9981  0.000000       0.000000  
1 1 1 1   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   5  o 447.216 10.390  108536.10  5032.49  126130.30  7117.56  90947.20   7116.48  481.743 13.641  408.791 16.073  72.95270       21.08112  
1 1 1 1   1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   7  o 164.077 3.4821  14585.13   618.809  14629.84   833.736  14530.29   923.369  164.301 4.6851  163.727 5.2070  0.5741425      7.004476  
1 1 1 1   1   8  o 479.780 8.5466  124979.70  4441.25  128712.50  5811.31  119737.90  6886.42  486.477 11.029  468.698 13.565  17.77884       17.48313  
1 1 1 1   1   9  o 209.850 3.9498  23858.44   897.749  22306.35   1269.32  25411.94   1269.90  202.861 5.7770  216.535 5.4146  -13.67342      7.917842  
1 1 1 1   1   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   11 o 328.438 5.6886  58447.68   2023.63  56384.29   2861.66  60511.61   2862.03  322.500 8.1925  334.107 7.9090  -11.60699      11.38724  
1 1 1 1   1   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   13 o 675.651 11.018  247771.70  8062.71  256915.00  11402.81 238629.59  11401.99 687.292 15.318  662.273 15.895  25.01874       22.07498  
1 1 1 1   1   14 o 456.025 10.825  112902.20  5346.84  105245.80  7560.81  120561.60  7562.35  439.660 15.877  470.724 14.833  -31.06485      21.72793  
1 1 1 1   1   15 o 184.983 4.4550  18541.38   892.593  18510.76   1442.57  18560.38   1136.21  184.749 7.2092  185.047 5.6690  -0.2978973     9.171148  
1 1 1 1   1   16 o 284.735 5.5059  43953.36   1697.99  44133.84   2604.74  43819.97   2239.16  285.111 8.4349  284.188 7.2746  0.9231873      11.13858  
1 1 1 1   1   17 o 106.750 2.9302  6173.78    338.789  6042.91    478.849  6304.95    479.392  105.590 4.1870  107.857 4.1037  -2.266823      5.862681  
1 1 1 1   1   18 o 241.186 4.4406  31538.77   1160.02  30554.77   1640.14  32523.67   1640.89  237.248 6.3828  244.790 6.1889  -7.542068      8.890583  
1 1 1 1   1   19 o 222.921 4.1938  26944.92   1012.58  27080.72   1431.56  26808.95   1432.46  223.347 5.9178  222.220 5.9515  1.126633       8.392904  
1 1 1 1   1   20 o 168.100 3.4779  15318.15   633.215  15293.25   893.833  15343.23   897.179  167.881 4.9157  168.155 4.9261  -0.2733765     6.959166  
1 1 1 1   1   21 o 313.017 5.8927  53230.62   1997.79  54761.87   3071.64  52107.97   2630.07  316.828 8.9511  309.317 7.8504  7.510925       11.90596  
1 1 1 1   1   22 o 268.400 5.1600  39122.76   1500.05  38353.61   2293.76  39697.52   1982.83  265.228 7.9847  270.089 6.7781  -4.860260      10.47368  
1 1 1 1   1   23 o 100.062 2.8173  5427.71    305.333  5172.04    413.424  5734.51    452.880  97.631  3.9096  102.795 4.0676  -5.163589      5.641900  
1 1 1 1   1   24 o 126.412 3.0892  8667.51    422.966  8441.97    597.755  8893.66    598.576  124.655 4.4273  127.956 4.3190  -3.301201      6.185107  
1 1 1 1   1   25 o 203.823 4.1998  22587.94   927.154  22716.37   1237.23  22423.45   1400.23  204.087 5.5971  202.553 6.3825  1.534149       8.489079  
1 1 1 1   1   26 o 86.323  2.8657  4046.36    267.931  3886.72    371.895  4218.63    386.341  84.489  4.0640  88.024  4.0523  -3.534935      5.739066  
1 1 1 1   1   27 o 89.550  2.9325  4360.29    284.432  4742.95    406.365  3992.75    398.253  93.233  4.0242  85.387  4.3203  7.845802       5.904152  
1 1 1 1   1   28 o 67.745  2.6691  2495.94    195.841  2477.39    231.335  2542.86    367.928  67.434  3.1673  67.832  5.0440  -0.3976440     5.956001  
1 1 1 1   1   29 f 128.918 3.3013  9075.81    460.959  9436.28    651.942  8715.45    651.846  130.944 4.5968  125.759 4.7856  5.184845       6.635698  
1 1 1 1   1   30 o 90.492  2.6684  4464.53    261.533  4536.25    369.464  4392.49    370.263  90.920  3.7518  89.445  3.8219  1.474503       5.355699  
1 1 1 1   1   31 o 27.666  1.8471  418.052    55.031   412.581    55.994   572.976    297.979  27.478  1.8930  30.685  8.6133  -3.207354      8.818832  
1 1 1 1   1   32 o 82.192  3.4280  3722.04    305.166  3625.52    430.875  3819.19    432.269  80.223  4.9835  82.420  4.8639  -2.196457      6.963641  
1 1 1 1   1   33 o 28.723  7.0697  506.264    218.456  464.664    307.756  548.513    310.145  27.246  8.9862  29.285  8.9505  -2.038879      12.68316  
1 1 1 1   1   34 o 50.749  4.5920  1488.31    249.673  1838.60    354.076  1141.90    352.113  55.261  6.0127  41.800  8.0697  13.46180       10.06346  
1 1 1 1   1   35 o 29.700  1.0640  479.602    34.227   -211.3405  309.320  488.167    34.439   15.133  7.1541  29.965  1.0611  -14.83206      7.232407  
1 1 1 1   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   7  o 345.290 6.8064  64667.23   2545.50  66953.60   4409.06  63524.14   3117.54  350.821 11.604  342.084 8.4141  8.737122       14.33314  
1 1 1 1   2   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   9  f 466.599 9.2391  118172.80  4669.22  118552.10  6603.19  117793.50  6603.36  466.818 13.060  465.315 13.102  1.502960       18.49939  
1 1 1 1   2   10 o 381.269 6.4908  78784.84   2680.39  78840.57   3790.58  78729.09   3790.71  381.255 9.1795  380.985 9.1863  0.2700500      12.98661  
1 1 1 1   2   11 o 606.458 10.027  199494.20  6586.29  199371.91  9314.37  199616.50  9314.47  605.791 14.196  606.164 14.187  -0.3726196     20.06984  
1 1 1 1   2   12 o 776.082 21.538  328689.50  18104.02 330373.00  21476.34 324555.59  33653.57 776.868 25.524  762.634 40.891  14.23395       48.20324  
1 1 1 1   2   13 o 483.989 8.6568  127030.80  4537.99  124126.40  5937.94  131109.09  7036.36  478.176 11.465  491.246 13.224  -13.07031      17.50243  
1 1 1 1   2   14 o 339.452 11.777  62587.16   4329.95  62587.16   4329.95  0.0000     0.0000   339.452 11.777  ?       ?       0.000000       11.77698  
1 1 1 1   2   15 o 825.353 17.311  371960.00  15475.14 360075.09  24004.87 380411.81  20243.14 807.057 27.462  832.352 22.454  -25.29425      35.47301  
1 1 1 1   2   16 o 558.256 9.2945  169297.50  5619.92  169306.09  7947.69  169289.00  7947.85  557.404 13.164  557.376 13.165  0.2844238E-01  18.61791  
1 1 1 1   2   17 o 580.154 9.6536  183072.09  6065.98  187195.41  8578.62  178948.80  8578.56  585.423 13.529  572.270 13.840  13.15338       19.35446  
1 1 1 1   2   18 o 251.519 4.9244  34308.37   1341.51  34564.18   2046.49  34115.62   1776.41  252.220 7.4913  250.676 6.5427  1.544464       9.946239  
1 1 1 1   2   19 o 330.142 5.7211  59160.70   2045.75  56845.46   2892.22  61478.86   2894.04  323.217 8.2617  336.191 7.9478  -12.97397      11.46397  
1 1 1 1   2   20 o 325.986 5.6642  57699.52   1999.89  57494.34   2827.61  57904.88   2828.93  324.977 8.0334  326.141 8.0084  -1.163452      11.34326  
1 1 1 1   2   21 o 221.656 4.4100  26654.90   1058.75  26136.15   1407.56  27330.83   1606.71  219.331 5.9251  224.198 6.6166  -4.867462      8.881825  
1 1 1 1   2   22 o 127.901 3.1229  8868.26    432.618  8982.22    604.322  8748.47    619.592  128.659 4.3367  126.963 4.5056  1.695183       6.253627  
1 1 1 1   2   23 o 50.152  3.4016  1370.41    183.685  1496.47    273.204  1266.41    248.140  52.262  4.8831  48.046  4.8340  4.215832       6.871115  
1 1 1 1   2   24 o 99.543  2.8326  5373.12    305.400  5359.35    413.273  5389.68    453.298  99.360  3.8402  99.618  4.2012  -0.2571869     5.691883  
1 1 1 1   2   25 o 228.150 4.7607  28334.00   1176.41  26008.67   1990.29  29582.64   1458.45  217.393 8.4528  232.839 5.7832  -15.44609      10.24181  
1 1 1 1   2   26 f 188.075 3.9710  19255.07   808.905  19447.15   1213.98  19101.70   1084.81  188.407 5.9490  186.929 5.3580  1.477936       8.006210  
1 1 1 1   2   27 o 101.797 2.8451  5633.13    313.688  5903.32    431.961  5331.66    456.282  104.050 3.8330  98.803  4.2637  5.246239       5.733335  
1 1 1 1   2   28 o 63.436  2.1013  2185.02    144.374  1894.77    202.085  2487.61    206.334  58.888  3.1801  67.615  2.8174  -8.726784      4.248687  
1 1 1 1   2   29 o 126.170 3.2655  8691.57    446.245  8620.80    634.335  8760.90    627.887  125.120 4.6808  126.170 4.5947  -1.050720      6.559049  
1 1 1 1   2   30 o 112.774 3.1331  6951.47    382.690  6970.59    523.377  6929.49    560.991  112.474 4.2963  111.989 4.6250  0.4848022      6.312564  
1 1 1 1   2   31 f 104.132 3.0573  5938.34    344.820  6075.68    462.061  5765.73    518.021  104.881 4.0676  101.840 4.6963  3.040878       6.212945  
1 1 1 1   2   32 o 80.744  2.8300  3572.52    247.491  3652.15    305.715  3421.11    421.583  81.400  3.4675  77.896  5.0237  3.504089       6.104178  
1 1 1 1   2   33 o 20.541  1.4148  230.450    31.286   235.472    31.465   -205.7227  293.235  20.766  1.4073  15.409  7.1820  5.356834       7.318611  
1 1 1 1   2   34 o 41.010  2.1663  925.473    95.883   1219.05    331.920  898.743    100.153  43.950  7.2238  40.371  2.3000  3.578823       7.581140  
1 1 1 1   2   35 o 33.876  1.7194  629.479    62.880   756.638    466.225  627.123    63.460   30.304  11.001  33.807  1.7390  -3.503204      11.13797  
1 1 1 1   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   6  o 479.984 16.154  125569.10  8397.95  125569.10  8397.95  0.0000     0.0000   479.984 16.154  ?       ?       0.000000       16.15388  
1 1 1 1   3   7  f 161.615 3.3091  14150.19   579.235  13715.00   818.955  14585.81   819.370  159.079 4.7531  164.055 4.6113  -4.976196      6.622375  
1 1 1 1   3   8  o 463.127 8.9830  116483.80  4506.02  113971.30  7804.48  117740.10  5518.79  456.768 15.775  465.300 10.951  -8.532104      19.20360  
1 1 1 1   3   9  o 453.291 9.0726  111515.30  4454.31  116191.00  6299.60  106840.30  6299.10  462.235 12.583  443.165 13.123  19.07043       18.18102  
1 1 1 1   3   10 o 445.707 7.4749  107692.30  3608.49  112876.70  5103.29  102508.40  5103.05  456.097 10.331  434.602 10.841  21.49484       14.97486  
1 1 1 1   3   11 o 138.124 3.2064  10333.58   479.681  9722.54    678.870  10942.83   677.874  133.966 4.6787  142.128 4.4035  -8.161499      6.425020  
1 1 1 1   3   12 o 613.674 11.086  204363.09  7368.48  202003.41  9626.09  207702.41  11451.13 609.668 14.578  617.797 17.113  -8.129150      22.48042  
1 1 1 1   3   13 o 223.144 4.1663  26974.27   1006.95  27208.28   1425.73  26741.36   1422.35  224.074 5.8746  222.143 5.9116  1.931854       8.334115  
1 1 1 1   3   14 o 447.699 15.137  109079.90  7340.07  109079.90  7340.07  0.0000     0.0000   447.699 15.137  ?       ?       0.000000       15.13715  
1 1 1 1   3   15 o 318.280 6.4222  54923.00   2213.93  57696.95   3834.94  53536.34   2711.40  325.871 10.865  314.139 7.9689  11.73233       13.47439  
1 1 1 1   3   16 o 119.427 3.0098  7726.59    389.323  7347.97    548.620  8110.68    552.573  116.444 4.3500  122.341 4.1701  -5.897560      6.025945  
1 1 1 1   3   17 o 114.508 2.8716  7103.66    356.151  7071.33    499.167  7137.18    508.305  114.226 4.0347  114.755 4.0896  -0.5293961     5.744884  
1 1 1 1   3   18 o 228.103 4.5132  28211.29   1115.04  28767.39   1480.33  27482.03   1695.22  230.240 5.9362  224.951 6.9577  5.289337       9.145960  
1 1 1 1   3   19 o 81.337  2.8717  3584.85    252.984  3367.12    352.396  3816.40    363.404  78.695  4.1491  83.900  3.9990  -5.205513      5.762574  
1 1 1 1   3   20 o 258.587 4.9028  36283.16   1373.17  34278.73   2094.60  37793.90   1818.45  250.982 7.7053  263.739 6.3659  -12.75665      9.994787  
1 1 1 1   3   21 o 127.825 3.0983  8856.37    428.947  8923.23    603.583  8788.15    609.709  128.252 4.3451  127.273 4.4230  0.9784012      6.200249  
1 1 1 1   3   22 o 336.117 5.8292  61402.53   2122.10  59904.25   3000.08  62902.87   3002.14  331.361 8.3591  339.612 8.1616  -8.250610      11.68279  
1 1 1 1   3   23 o 325.722 5.6220  57687.60   1983.39  55243.20   2803.02  60138.67   2806.85  318.047 8.1370  331.951 7.8068  -13.90369      11.27642  
1 1 1 1   3   24 o 156.512 3.6015  13293.99   610.519  13671.71   800.884  12769.99   943.299  158.606 4.6621  153.154 5.6866  5.452179       7.353386  
1 1 1 1   3   25 o 187.757 3.7534  19152.44   763.290  19119.71   1077.27  19185.43   1081.65  187.296 5.3104  187.615 5.3229  -0.3187561     7.518883  
1 1 1 1   3   26 o 29.114  2.1925  462.361    68.631   420.290    72.858   793.724    204.473  27.723  2.4517  37.784  5.1290  -10.06069      5.684851  
1 1 1 1   3   27 o 117.287 3.0090  7481.33    382.239  7783.65    541.404  7180.87    539.736  119.397 4.1866  114.644 4.3467  4.752731       6.034993  
1 1 1 1   3   28 o 45.116  2.1697  1105.43    106.024  1096.23    112.592  1177.42    315.026  44.859  2.3253  45.614  6.5656  -0.7544670     6.965230  
1 1 1 1   3   29 o 48.582  1.7056  1281.06    89.748   1355.48    126.736  1206.21    127.111  49.924  2.3438  47.015  2.5052  2.908852       3.430666  
1 1 1 1   3   30 o 51.680  2.1199  1452.55    118.659  1514.40    127.299  1042.75    327.673  52.757  2.2278  42.257  7.4306  10.49995       7.757362  
1 1 1 1   3   31 o 36.268  2.2270  719.251    87.058   725.289    90.570   645.896    315.685  36.408  2.3087  32.483  8.7685  3.924610       9.067351  
1 1 1 1   3   32 f 51.353  2.5098  1441.46    139.596  1399.57    152.674  1655.05    344.730  50.468  2.8041  53.567  6.0476  -3.098743      6.666049  
1 1 1 1   3   33 o 28.176  1.2990  431.311    39.644   428.839    39.977   577.543    307.510  28.094  1.3138  30.014  8.8537  -1.919577      8.950611  
1 1 1 1   3   34 f 32.368  1.1527  569.534    40.411   634.721    57.311   505.079    56.989   34.118  1.5509  30.359  1.7404  3.758451       2.331154  
1 1 1 1   3   35 o 16.609  7.4037  5.1129     269.856  196.925    443.601  -107.5717  340.005  22.017  9.6674  16.903  7.8286  5.114359       12.43967  
1 1 1 1   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   0  o 185.449 5.1041  18633.03   1025.20  17963.33   1449.81  19302.81   1449.90  182.042 7.3531  188.713 7.0936  -6.671310      10.21700  
1 1 1 1   4   1  o 294.270 10.355  46982.51   3300.32  0.0000     0.0000   46982.51   3300.32  ?       ?       294.270 10.355  0.000000       10.35476  
1 1 1 1   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   5  o 278.634 5.6927  42071.25   1718.00  44664.57   2975.63  40774.55   2104.12  286.925 9.5750  274.258 7.0834  12.66690       11.91034  
1 1 1 1   4   6  o 366.568 7.2356  72865.47   2872.77  76099.94   3518.44  66396.88   4975.69  374.507 8.6740  349.389 13.148  25.11856       15.75181  
1 1 1 1   4   7  o 226.718 4.1640  27852.80   1022.52  30887.22   1446.25  24819.96   1445.87  238.692 5.5942  213.940 6.2397  24.75174       8.380270  
1 1 1 1   4   8  o 176.337 4.3254  16850.47   826.119  16877.83   1053.04  16806.69   1332.20  176.445 5.5102  176.016 6.9879  0.4287109      8.899028  
1 1 1 1   4   9  o 102.225 2.6558  5660.26    294.054  5659.86    415.495  5660.66    416.215  102.212 3.7531  102.220 3.7594  -0.7194519E-02 5.312122  
1 1 1 1   4   10 o 482.079 8.0619  126005.10  4209.46  124951.40  5952.90  127058.80  5953.24  479.772 11.456  483.811 11.361  -4.038330      16.13384  
1 1 1 1   4   11 o 503.119 8.3776  137233.80  4565.20  132386.41  6455.92  142081.91  6456.42  493.861 12.069  511.666 11.650  -17.80466      16.77488  
1 1 1 1   4   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   13 o 181.416 3.7962  17828.16   745.933  18302.79   1122.67  17453.01   998.101  183.785 5.6399  179.477 5.1345  4.308167       7.626998  
1 1 1 1   4   14 o 378.846 19.752  78588.22   8076.95  78588.22   8076.95  0.0000     0.0000   378.846 19.752  ?       ?       0.000000       19.75244  
1 1 1 1   4   15 o 783.640 14.923  334632.41  12666.01 342862.69  21938.25 330517.41  15512.61 788.444 25.690  777.549 18.420  10.89569       31.61105  
1 1 1 1   4   16 o 199.660 4.4752  21604.08   967.770  20259.74   1675.13  22277.58   1185.66  193.194 8.0054  202.714 5.4001  -9.520676      9.656539  
1 1 1 1   4   17 o 562.316 11.901  172388.20  7248.31  161890.70  17444.03 174578.91  7968.81  534.534 30.254  565.510 13.010  -30.97650      32.93307  
1 1 1 1   4   18 o 318.026 5.5561  54872.59   1913.81  55017.73   2705.85  54727.30   2707.24  318.159 7.8522  317.314 7.8771  0.8444824      11.12228  
1 1 1 1   4   19 o 168.922 3.6447  15467.50   666.837  15454.31   988.578  15478.51   903.284  168.756 5.4086  168.917 4.9372  -0.1609497     7.323159  
1 1 1 1   4   20 o 508.290 8.4969  140740.20  4677.83  132592.30  6614.98  148890.50  6615.93  491.721 12.421  521.425 11.715  -29.70392      17.07343  
1 1 1 1   4   21 o 256.082 4.6120  35583.75   1279.20  33390.91   1807.36  37784.88   1810.77  247.791 6.7342  263.653 6.3410  -15.86234      9.249786  
1 1 1 1   4   22 o 112.316 2.9474  6837.98    358.558  6275.48    495.432  7456.66    519.585  107.544 4.2533  117.237 4.0919  -9.693306      5.902047  
1 1 1 1   4   23 o 192.154 3.8117  20033.08   793.314  19679.92   1120.14  20388.51   1123.70  190.271 5.4354  193.676 5.3568  -3.405609      7.631403  
1 1 1 1   4   24 o 124.488 3.1233  8406.05    421.125  8665.52    596.320  8147.90    594.804  126.299 4.3592  122.457 4.4845  3.841354       6.254122  
1 1 1 1   4   25 o 158.883 3.5091  13709.39   603.868  13852.19   824.566  13544.22   886.827  159.517 4.7725  157.659 5.1934  1.858597       7.053237  
1 1 1 1   4   26 o 40.975  4.0077  922.686    175.587  1108.96    253.520  750.956    243.422  44.733  5.3380  36.478  6.3941  8.254326       8.329414  
1 1 1 1   4   27 o 57.055  2.3158  1767.36    143.108  1621.85    165.933  2189.86    282.737  54.551  2.8180  63.200  4.1535  -8.649616      5.019285  
1 1 1 1   4   28 o 106.391 3.0381  6163.81    350.094  6021.34    472.121  6337.85    521.816  104.904 4.1552  107.536 4.4802  -2.632324      6.110447  
1 1 1 1   4   29 o 64.648  2.2639  2272.28    158.516  2293.52    223.731  2250.88    224.624  64.824  3.1866  64.129  3.2445  0.6944885      4.547609  
1 1 1 1   4   30 o 95.335  3.2382  4971.19    334.366  4889.26    471.348  5054.18    474.398  94.062  4.6265  95.655  4.5789  -1.592766      6.509335  
1 1 1 1   4   31 o 62.491  3.7933  2158.98    255.532  2223.82    359.101  2092.47    363.697  62.812  5.3287  60.799  5.5855  2.012844       7.719628  
1 1 1 1   4   32 f 44.336  4.8729  1113.66    230.136  1209.74    323.214  1014.85    327.757  45.344  6.7901  41.028  7.6572  4.315437       10.23416  
1 1 1 1   4   33 o 33.132  2.4395  604.358    86.927   1090.06    318.545  565.279    90.356   42.403  7.1930  31.994  2.6308  10.40855       7.659019  
1 1 1 1   4   34 o 37.130  2.0701  758.060    82.917   753.517    85.691   824.827    328.516  36.997  2.1477  34.796  8.7311  2.200901       8.991324  
1 1 1 1   4   35 o 28.800  9.7085  626.213    358.873  0.0000     0.0000   626.213    358.873  ?       ?       28.800  9.7085  0.000000       9.708544  
1 1 1 1   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   1  o 288.037 10.169  45010.26   3172.40  0.0000     0.0000   45010.26   3172.40  ?       ?       288.037 10.169  0.000000       10.16880  
1 1 1 1   5   2  o 179.385 3.5314  17430.38   686.132  17264.11   970.300  17596.67   970.376  178.508 5.0186  180.220 4.9713  -1.711884      7.063951  
1 1 1 1   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   5  o 333.388 5.7072  60231.86   2060.85  54893.10   2914.27  65572.14   2914.69  318.146 8.4573  347.758 7.7383  -29.61279      11.46332  
1 1 1 1   5   6  o 372.983 6.8619  75430.70   2772.07  77577.94   4283.52  73883.45   3636.14  377.950 10.464  368.968 9.0987  8.982086       13.86658  
1 1 1 1   5   7  o 429.047 7.1881  99866.96   3340.33  105774.40  4724.05  93960.04   4723.83  441.206 9.8856  415.749 10.490  25.45731       14.41435  
1 1 1 1   5   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   9  o 591.033 19.746  191032.20  12640.50 0.0000     0.0000   191032.20  12640.50 ?       ?       591.033 19.746  0.000000       19.74615  
1 1 1 1   5   10 o 137.135 3.1137  10186.21   462.486  9550.20    677.842  10740.17   632.606  132.770 4.7137  140.805 4.1481  -8.035187      6.278925  
1 1 1 1   5   11 f 474.946 7.8943  122279.10  4060.94  126776.20  5743.31  117782.80  5742.76  483.381 10.970  465.887 11.381  17.49417       15.80696  
1 1 1 1   5   12 o 143.946 3.3756  11223.33   526.292  11552.57   744.058  10893.68   744.521  146.029 4.7043  141.802 4.8476  4.227005       6.754979  
1 1 1 1   5   13 o 212.366 3.9559  24430.81   909.926  26513.56   1290.28  22370.21   1283.40  221.206 5.3854  203.178 5.8320  18.02751       7.938160  
1 1 1 1   5   14 o 234.343 7.0788  29772.68   1796.72  29772.68   1796.72  0.0000     0.0000   234.343 7.0788  ?       ?       0.000000       7.078766  
1 1 1 1   5   15 o 490.848 12.080  131014.50  6422.15  132619.91  13411.54 130536.80  7315.40  489.814 25.367  489.648 13.794  0.1663208      28.87475  
1 1 1 1   5   16 o 162.088 3.7186  14235.12   652.833  14325.38   842.983  14099.87   1031.89  162.574 4.7874  161.254 5.9082  1.320023       7.604300  
1 1 1 1   5   17 o 347.274 7.4760  65485.03   2811.98  64129.88   4403.09  66418.45   3654.25  342.971 11.853  349.429 9.6554  -6.458038      15.28792  
1 1 1 1   5   18 o 84.754  2.4492  3891.52    224.830  4075.06    314.982  3700.87    321.019  86.717  3.3536  82.635  3.5867  4.081192       4.910304  
1 1 1 1   5   19 o 187.975 3.7074  19154.00   754.818  18576.71   1065.40  19735.81   1069.56  185.025 5.3163  190.720 5.1777  -5.694824      7.421060  
1 1 1 1   5   20 o 92.451  2.7291  4631.59    273.275  4495.41    362.259  4811.41    416.287  91.059  3.6730  94.193  4.0804  -3.133888      5.490057  
1 1 1 1   5   21 o 201.931 3.8756  22113.04   847.630  20486.69   1196.21  23753.19   1201.27  194.208 5.6868  209.159 5.3027  -14.95116      7.775494  
1 1 1 1   5   22 o 93.063  2.7883  4694.15    281.056  4686.93    420.730  4699.98    377.691  92.943  4.1794  93.090  3.7460  -0.1463776     5.612469  
1 1 1 1   5   23 o 80.350  2.4328  3498.98    211.722  3393.59    254.491  3735.92    381.579  79.116  2.9699  82.852  4.2667  -3.735588      5.198538  
1 1 1 1   5   24 o 75.440  3.1221  3087.06    255.107  3011.48    358.777  3164.35    362.810  74.314  4.4783  76.191  4.4154  -1.876686      6.289001  
1 1 1 1   5   25 o 121.333 2.9910  7989.06    393.069  8735.98    558.643  7256.71    553.166  126.767 4.0687  115.497 4.4220  11.27003       6.009006  
1 1 1 1   5   26 o 96.489  2.9494  5056.56    308.233  5090.09    438.232  5023.74    433.619  96.666  4.1856  96.037  4.1687  0.6298294      5.907406  
1 1 1 1   5   27 o 64.245  2.3962  2241.30    166.741  2337.87    200.886  2027.41    298.968  65.580  2.8282  60.718  4.5798  4.861908       5.382685  
1 1 1 1   5   28 f 139.613 3.3454  10626.78   505.874  10302.58   720.284  10942.35   710.641  136.961 4.8555  141.233 4.6456  -4.271957      6.719967  
1 1 1 1   5   29 o 72.844  2.2965  2885.33    181.191  2487.33    255.559  3287.63    256.932  67.360  3.5150  77.635  3.0556  -10.27428      4.657434  
1 1 1 1   5   30 o 34.540  5.9557  684.953    214.756  848.505    301.654  516.864    305.809  37.959  7.6022  29.516  8.8583  8.442518       11.67322  
1 1 1 1   5   31 o 4.6415  2.1350  -18.7968   24.671   -145.5178  276.107  -17.7770   24.770   15.845  7.2338  4.6948  2.1521  11.14992       7.547108  
1 1 1 1   5   32 o 18.694  1.5407  191.207    30.918   -99.7011   283.185  194.717    31.104   16.530  7.4586  18.867  1.5354  -2.336838      7.614970  
1 1 1 1   5   33 o 30.542  6.8174  567.904    219.804  829.358    309.196  300.781    312.530  36.376  8.0599  23.619  8.9264  12.75706       12.02675  
1 1 1 1   5   34 o 48.744  5.0417  1392.49    262.327  1563.96    365.652  1210.64    376.559  50.102  6.9232  42.676  8.4457  7.425991       10.92066  
1 1 1 1   5   35 o 21.333  9.2753  184.413    399.653  0.0000     0.0000   184.413    399.653  ?       ?       21.333  9.2753  0.000000       9.275267  
1 1 1 1   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   1  o 181.528 4.1172  17850.72   809.495  17862.63   991.274  17826.88   1402.51  181.576 5.0404  181.354 7.1402  0.2218170      8.740038  
1 1 1 1   6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   6  o 116.152 2.7667  7307.78    348.071  7105.96    492.357  7509.41    492.137  114.525 3.9693  117.732 3.8594  -3.207596      5.536241  
1 1 1 1   6   7  o 79.204  2.6325  3398.13    225.829  3630.14    268.647  2839.27    416.939  81.860  3.0300  72.172  5.3722  9.687981       6.167790  
1 1 1 1   6   8  o 522.381 10.024  148282.70  5671.78  155576.50  6946.66  133697.41  9823.28  534.683 11.995  494.058 18.357  40.62540       21.92889  
1 1 1 1   6   9  o 69.979  2.4017  2652.37    182.038  3063.98    258.465  2247.22    256.428  75.209  3.1729  64.300  3.6976  10.90878       4.872323  
1 1 1 1   6   10 o 214.401 4.0197  24900.96   933.455  25442.14   1320.38  24360.24   1319.83  216.689 5.6259  212.029 5.7471  4.659836       8.042405  
1 1 1 1   6   11 o 521.822 8.6981  147638.41  4916.08  147346.50  6952.39  147930.20  6952.38  520.996 12.321  522.030 12.296  -1.033447      17.40661  
1 1 1 1   6   12 o 281.100 5.3341  42812.53   1624.03  43321.54   2492.19  42436.85   2141.05  282.677 8.1399  279.814 7.0646  2.862885       10.77808  
1 1 1 1   6   13 o 366.670 8.0256  72897.70   3187.29  70700.09   4984.19  74418.12   4145.75  360.770 12.755  370.328 10.336  -9.557526      16.41738  
1 1 1 1   6   14 o 351.410 10.084  67024.75   3837.97  67024.75   3837.97  0.0000     0.0000   351.410 10.084  ?       ?       0.000000       10.08364  
1 1 1 1   6   15 o 383.523 9.4188  79858.49   3912.51  79285.09   8079.32  80034.16   4471.83  380.035 19.696  383.797 10.758  -3.761871      22.44214  
1 1 1 1   6   16 o 531.996 9.5261  153783.09  5488.99  142165.91  8517.66  162033.91  7178.26  510.132 15.416  545.511 12.149  -35.37955      19.62779  
1 1 1 1   6   17 o 256.896 4.6499  35777.33   1293.83  36644.43   1828.72  34908.28   1830.78  259.862 6.4973  253.618 6.6648  6.244034       9.307757  
1 1 1 1   6   18 o 260.405 4.6953  36771.03   1324.28  36022.39   1871.47  37521.81   1874.16  257.565 6.7085  262.884 6.5822  -5.318909      9.398412  
1 1 1 1   6   19 o 667.503 12.044  243782.50  8707.40  238656.80  13537.06 247399.91  11372.19 655.428 19.069  670.073 15.669  -14.64520      24.68113  
1 1 1 1   6   20 o 224.005 4.4627  27218.45   1082.74  27374.61   1438.63  27014.44   1644.38  224.508 5.9163  222.922 6.8105  1.585587       9.021365  
1 1 1 1   6   21 o 170.526 3.8095  15769.09   703.614  16288.11   993.832  15247.50   996.292  173.201 5.2978  167.561 5.4896  5.640076       7.629066  
1 1 1 1   6   22 o 106.199 3.0060  6113.71    345.766  5972.78    486.948  6257.02    491.050  104.916 4.2852  107.386 4.2219  -2.470505      6.015606  
1 1 1 1   6   23 o 232.146 4.3405  29256.05   1091.38  28377.33   1542.40  30137.13   1544.48  228.340 6.2366  235.346 6.0591  -7.006592      8.695222  
1 1 1 1   6   24 o 150.306 3.3399  12257.49   543.722  11536.73   767.228  12984.70   770.662  145.669 4.8628  154.572 4.6032  -8.902817      6.696023  
1 1 1 1   6   25 o 113.682 3.0488  7013.96    375.399  7044.26    529.633  6983.38    532.165  113.806 4.2968  113.308 4.3362  0.4973450      6.104515  
1 1 1 1   6   26 o 122.396 3.0734  8138.70    407.434  8280.24    577.973  7998.88    574.442  123.263 4.3292  121.142 4.3780  2.120918       6.157019  
1 1 1 1   6   27 o 85.153  2.9980  3943.61    276.506  4496.27    407.029  3469.99    376.797  90.749  4.1411  79.565  4.3893  11.18395       6.034466  
1 1 1 1   6   28 o 21.516  2.4127  254.721    55.259   254.714    56.325   254.903    285.445  21.509  2.4621  23.362  8.5887  -1.852341      8.934635  
1 1 1 1   6   29 o 85.940  2.5952  4020.65    241.565  4082.26    336.335  3955.01    347.171  86.389  3.5945  84.989  3.7715  1.399826       5.210059  
1 1 1 1   6   30 o 82.353  3.3318  3712.02    297.189  3466.22    417.040  3965.62    423.614  78.954  4.9010  84.581  4.6419  -5.626396      6.750292  
1 1 1 1   6   31 o 42.665  1.9439  990.306    89.831   875.890    308.669  1000.89    93.895   38.286  7.7102  42.884  2.0215  -4.598042      7.970804  
1 1 1 1   6   32 o 23.482  1.5675  301.034    39.638   71.915     289.254  305.418    40.015   19.241  8.1143  23.653  1.5709  -4.411919      8.264988  
1 1 1 1   6   33 o 33.726  1.3342  618.083    48.737   177.782    322.585  628.368    49.303   21.460  8.7649  34.005  1.3386  -12.54456      8.866541  
1 1 1 1   6   34 o 28.802  9.1081  577.523    318.199  185.249    500.322  843.957    412.336  23.227  10.231  33.711  10.323  -10.48388      14.53398  
1 1 1 1   6   35 o 32.581  10.650  855.706    432.602  0.0000     0.0000   855.706    432.602  ?       ?       32.581  10.650  0.000000       10.64966  
1 1 1 1   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   2  o 112.443 2.7251  6848.00    331.883  6693.89    469.382  7002.06    469.325  111.163 3.8985  113.694 3.8112  -2.530777      5.451927  
1 1 1 1   7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   6  f 473.932 15.972  122501.60  8198.93  122501.60  8198.93  0.0000     0.0000   473.932 15.972  ?       ?       0.000000       15.97241  
1 1 1 1   7   7  o 192.805 3.7182  20141.26   776.462  19747.25   1098.06  20535.30   1098.10  190.861 5.3118  194.636 5.2089  -3.774780      7.439641  
1 1 1 1   7   8  o 290.520 5.5428  45754.18   1744.11  46096.42   2679.70  45502.65   2297.30  291.407 8.4902  289.611 7.3237  1.795288       11.21249  
1 1 1 1   7   9  o 251.716 4.8349  34332.11   1318.15  34861.59   1742.97  33624.66   2014.71  253.599 6.3456  249.013 7.4700  4.585281       9.801406  
1 1 1 1   7   10 o 425.448 8.2562  98137.77   3804.48  96202.67   4659.45  102008.30  6589.74  421.103 10.216  433.281 14.042  -12.17871      17.36495  
1 1 1 1   7   11 o 726.007 24.066  288033.81  18923.76 0.0000     0.0000   288033.81  18923.76 ?       ?       726.007 24.066  0.000000       24.06560  
1 1 1 1   7   12 o 608.445 12.033  200975.09  7930.04  199263.70  9428.82  205111.80  14658.93 605.534 14.376  612.909 22.082  -7.375977      26.34935  
1 1 1 1   7   13 o 489.865 10.030  130201.10  5321.85  137001.80  8286.20  125426.30  6943.12  501.875 15.244  480.449 13.342  21.42520       20.25814  
1 1 1 1   7   14 o 244.572 7.5090  32433.53   1989.10  32433.53   1989.10  0.0000     0.0000   244.572 7.5090  ?       ?       0.000000       7.508959  
1 1 1 1   7   15 o 396.711 8.7909  85419.95   3777.25  92839.20   8921.54  83799.54   4169.39  411.663 20.009  392.824 9.7995  18.83972       22.27991  
1 1 1 1   7   16 o 322.018 5.6081  56222.60   1955.98  55366.72   2765.01  57079.92   2767.35  319.365 7.9936  324.279 7.8791  -4.914307      11.22393  
1 1 1 1   7   17 o 233.067 5.0179  29453.36   1266.70  30214.48   1789.92  28689.72   1792.86  235.923 7.0048  229.877 7.2008  6.045425       10.04582  
1 1 1 1   7   18 o 214.255 4.0632  24884.65   942.915  24706.84   1330.43  25064.10   1336.56  213.383 5.7565  214.921 5.7417  -1.538300      8.130493  
1 1 1 1   7   19 o 179.318 3.7501  17431.00   728.347  17298.83   979.734  17594.30   1088.98  178.562 5.0658  180.045 5.5843  -1.483002      7.539679  
1 1 1 1   7   20 o 179.668 3.6397  17500.76   708.277  17940.63   1000.86  17059.50   1002.45  181.818 5.0823  177.287 5.2206  4.531448       7.285916  
1 1 1 1   7   21 o 295.369 5.5651  47382.84   1780.35  48981.61   2346.53  45214.04   2733.02  300.015 7.2212  287.917 8.7640  12.09830       11.35583  
1 1 1 1   7   22 o 148.804 3.3192  12005.66   534.958  11809.34   755.025  12203.57   758.074  147.492 4.7263  149.938 4.6680  -2.446106      6.642893  
1 1 1 1   7   23 o 53.649  3.4132  1567.36    197.303  1642.83    291.026  1503.18    268.403  54.768  4.9599  52.391  4.7827  2.377064       6.890168  
1 1 1 1   7   24 f 151.138 3.5368  12396.55   578.966  11736.95   882.880  12894.22   766.883  146.837 5.5513  154.031 4.5968  -7.193726      7.207443  
1 1 1 1   7   25 o 34.073  4.9139  645.126    176.104  360.305    245.000  949.588    253.306  25.660  7.9739  41.313  5.8224  -15.65296      9.873370  
1 1 1 1   7   26 o 56.461  2.3301  1729.58    142.492  1857.60    288.153  1688.15    163.939  58.179  4.6106  55.762  2.7144  2.416416       5.350301  
1 1 1 1   7   27 o 147.808 3.2432  11891.06   519.205  13513.98   744.481  10354.25   724.462  157.251 4.3711  137.496 4.8647  19.75449       6.540009  
1 1 1 1   7   28 o 10.361  3.2517  57.829     40.629   45.464     41.066   629.841    279.317  9.5669  3.2837  32.851  7.9386  -23.28403      8.590884  
1 1 1 1   7   29 o 128.819 3.2219  9059.58    449.531  8828.12    646.065  9276.82    625.880  126.584 4.7122  129.881 4.4491  -3.297302      6.480723  
1 1 1 1   7   30 o 58.856  3.8933  1911.39    246.786  1900.79    345.124  1922.48    353.027  58.145  5.5474  58.441  5.6477  -0.2953491     7.916461  
1 1 1 1   7   31 o 38.884  2.2318  826.452    93.601   1238.53    310.482  785.257    98.168   46.332  6.3545  37.871  2.4058  8.461140       6.794617  
1 1 1 1   7   32 o 63.678  3.7941  2250.50    260.491  2281.44    365.332  2218.50    371.525  63.356  5.3746  62.370  5.5580  0.9865456      7.731579  
1 1 1 1   7   33 o 62.045  2.6926  2114.10    180.949  1966.49    381.064  2157.08    205.609  57.904  6.1711  62.556  3.0346  -4.651356      6.876825  
1 1 1 1   7   34 o 23.454  8.8863  339.681    310.224  -2.7840    486.353  574.596    402.808  21.102  9.6209  28.258  10.231  -7.156162      14.04388  
1 1 1 1   7   35 o 19.945  2.1766  221.487    46.256   731.337    437.959  215.736    46.516   30.072  10.694  19.670  2.2224  10.40274       10.92221  
1 1 1 1   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   1  o 343.497 11.851  64052.64   4409.18  0.0000     0.0000   64052.64   4409.18  ?       ?       343.497 11.851  0.000000       11.85126  
1 1 1 1   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   3  o 170.783 3.9267  15799.65   726.338  0.0000     0.0000   15799.65   726.338  ?       ?       170.783 3.9267  0.000000       3.926657  
1 1 1 1   8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   5  o 473.018 15.921  121852.40  8156.76  0.0000     0.0000   121852.40  8156.76  ?       ?       473.018 15.921  0.000000       15.92096  
1 1 1 1   8   6  o 172.258 3.6190  16075.46   675.210  15891.70   1011.57  16223.13   906.787  171.229 5.4544  173.021 4.8388  -1.792313      7.291384  
1 1 1 1   8   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   8  o 459.658 8.9311  114712.20  4446.41  115131.30  7701.39  114502.60  5445.72  459.333 15.480  458.944 10.955  0.3884583      18.96444  
1 1 1 1   8   9  o 58.240  2.4002  1837.10    151.400  1940.39    214.787  1735.10    213.444  59.758  3.3318  56.487  3.5061  3.271095       4.836639  
1 1 1 1   8   10 o 409.205 6.9107  90754.74   3062.91  86453.45   4331.30  95057.26   4331.92  399.215 10.017  418.641 9.5536  -19.42548      13.84246  
1 1 1 1   8   11 o 380.993 6.4699  78661.10   2669.85  76889.51   3775.57  80433.01   3775.90  376.549 9.2574  385.139 9.0518  -8.590393      12.94737  
1 1 1 1   8   12 o 259.177 4.6724  36390.88   1311.62  36205.15   1855.01  36576.57   1854.82  258.466 6.6263  259.789 6.5919  -1.323364      9.346726  
1 1 1 1   8   13 o 163.583 3.9303  14495.90   696.356  14753.49   1205.35  14366.86   853.131  164.983 6.7453  162.841 4.8371  2.141998       8.300413  
1 1 1 1   8   14 o 324.422 9.3344  57109.41   3279.93  57109.41   3279.93  0.0000     0.0000   324.422 9.3344  ?       ?       0.000000       9.334360  
1 1 1 1   8   15 o 325.707 6.5634  57523.38   2315.38  55316.05   4010.04  58627.31   2835.87  318.967 11.607  328.719 7.9651  -9.751709      14.07738  
1 1 1 1   8   16 o 604.017 10.017  198327.70  6553.19  200216.59  9267.45  196438.59  9267.76  605.755 14.125  599.969 14.262  5.786072       20.07287  
1 1 1 1   8   17 o 83.317  2.6199  3760.60    236.420  3900.72    363.694  3658.05    311.124  84.837  3.9580  82.163  3.4961  2.674309       5.281013  
1 1 1 1   8   18 o 105.335 2.8663  6011.77    327.009  5618.09    465.341  6395.85    459.631  101.799 4.2205  108.625 3.9067  -6.826424      5.751050  
1 1 1 1   8   19 f 299.878 5.6286  48811.32   1828.17  47056.44   2806.65  50104.63   2409.43  293.952 8.8154  303.585 7.3276  -9.632782      11.46322  
1 1 1 1   8   20 o 185.378 3.6955  18631.33   741.986  18166.03   1047.99  19099.02   1050.67  182.940 5.2891  187.589 5.1712  -4.648529      7.396964  
1 1 1 1   8   21 o 151.763 3.3324  12486.03   547.769  12749.88   773.330  12220.35   776.001  153.283 4.6580  150.058 4.7746  3.224548       6.670352  
1 1 1 1   8   22 o 356.525 6.6548  69168.41   2569.78  70259.85   3374.35  67661.31   3965.15  358.723 8.6848  351.399 10.418  7.323364       13.56331  
1 1 1 1   8   23 o 104.208 3.0269  5887.86    341.643  5758.71    480.507  6019.90    485.850  102.995 4.3074  105.308 4.2596  -2.312668      6.057856  
1 1 1 1   8   24 o 39.182  4.4552  844.877    185.708  787.758    258.015  906.274    267.504  37.460  6.6004  40.293  6.3389  -2.832886      9.151342  
1 1 1 1   8   25 o 104.373 2.9236  5911.57    330.505  6054.89    452.496  5747.66    483.893  105.541 3.9584  102.789 4.3464  2.751915       5.878825  
1 1 1 1   8   26 o 120.314 3.1009  7865.18    404.080  7638.55    566.705  8099.58    576.328  118.366 4.4204  121.896 4.3653  -3.529778      6.212520  
1 1 1 1   8   27 o 58.074  3.4165  1842.97    213.949  2060.90    316.030  1658.58    290.694  61.166  4.8091  54.802  4.9509  6.363491       6.902089  
1 1 1 1   8   28 o 49.485  2.3613  1330.65    126.559  1244.30    137.541  1807.49    323.219  47.757  2.6698  57.056  5.2905  -9.298988      5.925965  
1 1 1 1   8   29 o 75.461  3.2512  3109.39    265.725  2878.58    361.477  3380.77    391.955  72.156  4.6501  78.220  4.6473  -6.064667      6.574249  
1 1 1 1   8   30 o 35.140  5.7946  706.776    212.851  622.823    297.565  794.741    304.592  32.227  8.4288  36.586  7.9165  -4.358746      11.56356  
1 1 1 1   8   31 o 27.499  1.4998  411.865    44.503   258.376    286.513  415.659    45.050   22.945  8.5725  27.625  1.5114  -4.680048      8.704694  
1 1 1 1   8   32 o 32.558  6.8438  633.548    233.678  780.820    322.873  471.550    338.631  35.469  8.5128  27.948  9.4307  7.521648       12.70455  
1 1 1 1   8   33 o 14.334  6.8007  -281.5414  284.330  -88.7299   453.330  -406.5769  365.061  20.641  9.3636  15.659  7.5054  4.982102       12.00030  
1 1 1 1   8   34 o 43.948  7.4646  1235.76    342.607  1324.50    528.870  1171.58    449.733  41.123  11.451  39.909  10.326  1.213551       15.41891  
1 1 1 1   8   35 o 18.417  8.2791  20.741     345.157  77.416     418.539  -99.7394   610.236  20.302  9.1225  21.342  10.077  -1.040222      13.59292  
1 1 1 1   8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   0  o 332.198 11.506  59899.25   4140.03  0.0000     0.0000   59899.25   4140.03  ?       ?       332.198 11.506  0.000000       11.50634  
1 1 1 1   9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   3  o 458.812 15.450  114471.30  7677.62  114471.30  7677.62  0.0000     0.0000   458.812 15.450  ?       ?       0.000000       15.44976  
1 1 1 1   9   4  o 217.266 4.6879  25574.52   1103.17  24298.43   1910.69  26212.62   1351.12  211.679 8.3338  219.938 5.6718  -8.258789      10.08074  
1 1 1 1   9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   6  o 339.967 6.2920  62667.61   2316.84  62701.21   3043.06  62621.27   3573.49  339.908 8.2657  339.555 9.7166  0.3529358      12.75670  
1 1 1 1   9   7  o 306.226 5.3507  50836.06   1774.70  49796.80   2509.67  51875.55   2509.94  302.917 7.6493  309.188 7.4950  -6.270874      10.70919  
1 1 1 1   9   8  o 522.670 8.7117  148287.80  4931.72  154988.09  6974.59  141587.80  6974.42  533.779 12.064  510.074 12.624  23.70477       17.46161  
1 1 1 1   9   9  o 519.725 9.9863  146596.70  5621.46  143477.09  6884.60  152837.30  9737.40  513.870 12.370  529.595 16.976  -15.72516      21.00436  
1 1 1 1   9   10 f 379.578 7.4952  78098.48   3081.43  78778.93   4357.86  77418.05   4357.75  381.055 10.559  377.743 10.651  3.311737       14.99783  
1 1 1 1   9   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   12 o 450.534 8.7556  110068.60  4272.52  111825.70  5232.67  106554.10  7400.45  453.974 10.642  442.674 15.435  11.30072       18.74801  
1 1 1 1   9   13 o 277.815 5.6984  41823.74   1714.67  42141.13   2968.41  41664.81   2100.56  278.696 9.8338  277.243 6.9953  1.452850       12.06803  
1 1 1 1   9   14 o 368.346 10.900  73676.09   4348.80  73676.09   4348.80  0.0000     0.0000   368.346 10.900  ?       ?       0.000000       10.90042  
1 1 1 1   9   15 o 338.217 6.7278  62032.32   2464.57  60070.02   4268.28  63013.79   3018.63  332.352 11.857  340.772 8.1785  -8.419983      14.40427  
1 1 1 1   9   16 o 571.594 10.365  177666.09  6417.20  173687.09  8386.78  183285.80  9967.00  564.285 13.722  578.958 15.895  -14.67273      20.99851  
1 1 1 1   9   17 o 297.598 5.2427  48028.22   1689.89  46719.23   2389.41  49338.18   2390.30  293.302 7.5215  301.433 7.3214  -8.131042      10.49647  
1 1 1 1   9   18 f 128.283 3.0800  8917.17    427.952  9338.55    603.073  8489.75    607.382  131.245 4.2425  125.130 4.4816  6.114555       6.171123  
1 1 1 1   9   19 o 161.695 3.5306  14171.91   618.322  14188.45   837.386  14152.08   916.892  161.729 4.7804  161.495 5.2419  0.2344360      7.094383  
1 1 1 1   9   20 o 186.417 3.8745  18843.01   782.291  17058.34   1170.80  20282.36   1051.45  177.206 6.1001  193.324 5.0215  -16.11757      7.901017  
1 1 1 1   9   21 o 138.980 3.3077  10471.14   497.912  11176.11   721.507  9830.13    687.994  143.511 4.6418  134.588 4.7196  8.923523       6.619749  
1 1 1 1   9   22 o 88.978  3.0067  4291.77    289.765  4238.24    406.507  4347.07    413.152  88.378  4.2467  89.505  4.2618  -1.126869      6.016447  
1 1 1 1   9   23 o 169.262 3.6750  15542.70   673.734  15943.83   997.723  15206.47   913.453  171.259 5.3788  167.290 5.0413  3.968536       7.372022  
1 1 1 1   9   24 o 80.699  2.6802  3531.16    234.270  3646.43    374.040  3456.75    300.514  81.822  4.2351  79.811  3.4764  2.010864       5.479217  
1 1 1 1   9   25 o 83.238  2.6992  3758.82    243.344  3906.60    313.355  3534.27    386.247  84.814  3.4111  80.471  4.4488  4.343338       5.606073  
1 1 1 1   9   26 o 137.409 3.2227  10262.27   479.626  10284.61   662.151  10237.60   695.676  137.333 4.4516  136.967 4.6894  0.3659210      6.465847  
1 1 1 1   9   27 o 161.839 3.4265  14265.35   600.632  14845.27   854.359  13698.64   844.570  164.650 4.7908  158.111 4.9318  6.538635       6.875635  
1 1 1 1   9   28 o 127.747 3.1679  8892.24    438.328  8269.92    611.570  9549.61    628.557  122.781 4.5988  132.012 4.3960  -9.230988      6.361948  
1 1 1 1   9   29 o 88.889  3.2302  4314.07    310.991  4340.80    439.482  4287.25    440.135  88.683  4.5911  88.120  4.6277  0.5633621      6.518755  
1 1 1 1   9   30 o 30.777  6.4319  551.757    207.502  692.004    292.886  410.421    294.021  34.050  8.0658  26.787  8.7809  7.262903       11.92312  
1 1 1 1   9   31 o 27.939  1.0039  423.261    30.378   157.574    286.903  426.273    30.550   20.891  8.3613  28.038  1.0060  -7.147865      8.421574  
1 1 1 1   9   32 o 36.385  6.2511  776.346    237.468  1200.59    327.053  303.288    345.355  45.089  6.9179  24.516  9.3551  20.57280       11.63508  
1 1 1 1   9   33 o 39.244  7.9429  961.386    326.029  1014.94    503.481  922.711    427.846  37.885  11.365  36.850  10.313  1.035744       15.34698  
1 1 1 1   9   34 o 46.515  2.4004  1194.93    120.520  1178.33    127.474  1334.69    369.932  46.128  2.5615  45.349  7.8135  0.7786636      8.222693  
1 1 1 1   9   35 o 18.209  8.2114  7.8911     342.678  116.608    413.231  -231.4892  613.181  20.654  9.1873  20.511  9.8030  0.1424694      13.43520  
1 1 1 1   9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  6  o 457.449 7.6888  113545.50  3809.54  119785.30  5387.59  107306.10  5387.42  469.441 10.596  444.220 11.197  25.22107       15.41606  
1 1 1 1   10  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  8  o 614.147 20.537  206803.00  13661.22 0.0000     0.0000   206803.00  13661.22 ?       ?       614.147 20.537  0.000000       20.53747  
1 1 1 1   10  9  o 479.862 10.249  124971.90  5326.75  124834.30  6949.79  125167.90  8293.39  479.232 13.389  479.498 15.969  -0.2668457     20.83931  
1 1 1 1   10  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  11 o 245.624 4.4612  32682.64   1186.85  32341.26   1678.35  33024.13   1678.57  244.298 6.3430  246.865 6.2778  -2.567261      8.924379  
1 1 1 1   10  12 o 436.627 8.0371  103357.60  3800.86  104370.00  5886.96  102634.00  4977.30  438.424 12.397  434.920 10.566  3.504730       16.28909  
1 1 1 1   10  13 o 683.252 13.006  253642.80  9625.00  260052.41  16670.29 250437.50  11788.41 689.647 22.318  678.344 16.045  11.30255       27.48652  
1 1 1 1   10  14 o 510.451 11.383  141531.50  6293.43  150296.30  8214.88  129078.60  9791.88  525.540 14.432  486.262 18.592  39.27814       23.53598  
1 1 1 1   10  15 o 177.538 4.1368  17078.49   795.470  17349.01   1378.08  16943.32   974.147  178.848 7.1141  176.811 5.0868  2.037094       8.745649  
1 1 1 1   10  16 o 180.513 3.6179  17655.46   707.341  17415.95   999.688  17895.59   1000.98  179.237 5.1495  181.691 5.0865  -2.453629      7.238101  
1 1 1 1   10  17 o 248.863 4.7723  33578.62   1286.36  31911.96   1961.32  34836.74   1704.06  242.406 7.4703  253.381 6.2093  -10.97551      9.713899  
1 1 1 1   10  18 o 505.769 10.353  139438.91  5671.31  140023.30  8020.37  138854.41  8020.51  505.176 14.658  503.035 14.721  2.141113       20.77421  
1 1 1 1   10  19 o 299.630 5.5348  48728.27   1796.21  46808.25   2756.68  50144.88   2367.88  293.191 8.6809  303.720 7.1981  -10.52948      11.27699  
1 1 1 1   10  20 o 224.532 4.2193  27342.70   1026.09  27072.30   1449.89  27614.01   1452.34  223.250 5.9961  225.478 5.9470  -2.228043      8.445119  
1 1 1 1   10  21 o 119.893 2.9999  7791.10    389.555  7961.10    548.695  7618.33    553.159  121.146 4.1817  118.503 4.3097  2.642723       6.005030  
1 1 1 1   10  22 o 179.648 3.6470  17503.40   709.626  16618.85   1001.46  18395.41   1005.67  174.908 5.2863  184.045 5.0450  -9.136826      7.307364  
1 1 1 1   10  23 o 99.940  3.0164  5415.57    326.518  5471.35    458.648  5358.25    464.948  100.396 4.2179  99.347  4.3210  1.048912       6.038298  
1 1 1 1   10  24 o 199.340 3.9001  21576.29   842.063  20327.10   1188.72  22834.50   1193.01  193.198 5.6808  204.826 5.3776  -11.62875      7.822371  
1 1 1 1   10  25 o 77.657  2.6206  3271.45    220.418  3341.94    352.183  3226.06    282.611  78.279  4.1689  77.073  3.3854  1.205513       5.370386  
1 1 1 1   10  26 o 74.903  3.0085  3048.10    244.075  3023.27    339.687  3074.61    350.936  74.362  4.2351  74.975  4.3401  -0.6132736     6.064006  
1 1 1 1   10  27 o 106.611 3.0033  6182.51    346.795  6546.45    497.732  5839.12    483.464  109.474 4.1977  103.365 4.3184  6.109077       6.022399  
1 1 1 1   10  28 o 59.114  3.4228  1912.40    218.210  1855.30    283.552  1995.33    341.715  57.989  4.5511  59.955  5.3174  -1.965469      6.999134  
1 1 1 1   10  29 o 23.465  6.8060  316.161    183.087  456.081    239.921  121.069    283.301  27.921  7.6891  20.423  8.2610  7.498331       11.28571  
1 1 1 1   10  30 o 83.529  3.3116  3819.23    299.603  3673.43    422.942  3966.09    424.468  81.300  4.8247  84.562  4.6524  -3.261314      6.702392  
1 1 1 1   10  31 o 37.323  5.9409  803.919    232.111  867.921    321.332  734.088    335.645  37.930  8.0696  34.524  8.9144  3.406147       12.02440  
1 1 1 1   10  32 o 50.929  6.3316  1507.34    341.721  1539.87    519.232  1482.49    453.869  49.082  10.104  48.980  8.8826  0.1025391      13.45318  
1 1 1 1   10  33 o 40.557  1.8909  897.172    83.061   910.432    84.747   573.762    418.532  40.852  1.9153  29.633  10.463  11.21881       10.63666  
1 1 1 1   10  34 o 3.5825  1.8031  -98.0837   31.776   -99.2187   31.929   19.522     325.015  3.5818  1.8033  18.333  8.1517  -14.75099      8.348769  
1 1 1 1   10  35 o 6.0995  2.8590  -45.8835   47.559   374.591    401.696  -51.8613   47.896   23.974  9.7850  5.9799  2.8234  17.99451       10.18424  
1 1 1 1   10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  1  o 310.466 10.847  52305.02   3647.62  52305.02   3647.62  0.0000     0.0000   310.466 10.847  ?       ?       0.000000       10.84742  
1 1 1 1   11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  3  o 304.116 5.3382  50112.64   1758.33  48244.24   2486.66  51981.02   2486.66  298.308 7.6963  309.658 7.4142  -11.34955      10.68659  
1 1 1 1   11  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  5  o 422.800 8.2194  96978.58   3763.97  90888.09   6519.07  100024.30  4610.01  408.512 14.734  429.215 9.9165  -20.70331      17.75998  
1 1 1 1   11  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  7  o 359.170 6.1667  69954.30   2398.96  70457.41   3392.55  69451.13   3392.72  360.225 8.6953  357.636 8.7586  2.588501       12.34185  
1 1 1 1   11  8  o 543.669 11.785  160689.41  6939.48  156758.00  10789.84 163462.80  9062.43  535.439 18.605  547.623 15.279  -12.18335      24.07488  
1 1 1 1   11  9  o 426.303 7.2047  98518.87   3326.65  98645.45   4704.48  98392.27   4704.71  426.361 10.187  425.812 10.201  0.5486450      14.41682  
1 1 1 1   11  10 f 600.523 10.658  195648.50  6932.24  194038.91  10770.60 196786.91  9057.73  597.281 16.649  601.892 13.894  -4.611694      21.68500  
1 1 1 1   11  11 o 604.154 10.972  198045.50  7179.91  208841.80  11156.95 190413.70  9380.41  619.638 16.624  591.960 14.630  27.67798       22.14522  
1 1 1 1   11  12 o 247.369 4.4986  33150.00   1205.30  32853.29   1705.45  33446.10   1703.67  246.216 6.3952  248.429 6.3316  -2.213196      8.999299  
1 1 1 1   11  13 o 545.322 12.840  161564.41  7583.67  156628.59  10724.59 166500.91  10725.27 536.005 18.473  552.748 17.915  -16.74335      25.73317  
1 1 1 1   11  14 o 361.271 9.2602  70825.23   3623.46  67773.62   4143.49  80744.89   7470.52  353.270 10.829  384.670 17.931  -31.39938      20.94686  
1 1 1 1   11  15 f 134.548 3.8102  9808.18    555.260  8195.02    931.088  10698.53   691.722  122.719 7.0343  140.509 4.5453  -17.78934      8.375036  
1 1 1 1   11  16 o 79.381  2.3372  3413.23    200.945  3240.15    281.842  3592.18    286.577  77.333  3.3649  81.427  3.2494  -4.093880      4.677722  
1 1 1 1   11  17 o 112.294 2.9154  6831.93    354.589  6772.94    500.607  6891.32    502.326  111.783 4.1348  112.757 4.1131  -0.9732285     5.832160  
1 1 1 1   11  18 o 288.962 5.0262  45289.82   1573.07  48344.27   2225.68  42240.97   2223.63  298.343 6.8877  278.818 7.3633  19.52582       10.08261  
1 1 1 1   11  19 o 226.565 4.4048  27838.41   1080.90  28857.73   1435.94  26505.64   1641.94  230.560 5.7502  220.850 6.8642  9.709473       8.954430  
1 1 1 1   11  20 o 301.306 5.5988  49294.34   1827.15  51126.63   2407.03  46803.00   2806.73  306.582 7.2488  293.018 8.8437  13.56396       11.43486  
1 1 1 1   11  21 o 188.371 3.7431  19241.85   763.679  18682.70   1077.79  19805.63   1082.23  185.484 5.3648  190.990 5.2317  -5.505692      7.493454  
1 1 1 1   11  22 o 59.338  2.3710  1907.97    152.382  1903.93    175.208  1920.53    308.751  59.269  2.7293  59.277  4.8515  -0.8140564E-02 5.566535  
1 1 1 1   11  23 o 142.105 3.3406  10952.32   514.164  10640.43   705.186  11306.32   751.275  139.969 4.6516  144.268 4.8079  -4.299011      6.689807  
1 1 1 1   11  24 o 101.784 2.7772  5618.09    306.166  5190.94    428.835  6062.17    437.256  97.763  4.0499  105.666 3.8206  -7.902824      5.567643  
1 1 1 1   11  25 o 45.726  3.7771  1144.05    185.392  992.719    253.671  1317.55    271.617  42.274  5.6843  48.887  5.2100  -6.613338      7.710730  
1 1 1 1   11  26 o 50.137  2.3877  1364.12    129.661  1258.36    145.532  1771.20    285.531  48.054  2.8083  56.776  4.6850  -8.721863      5.462274  
1 1 1 1   11  27 o 107.183 3.0312  6249.86    351.898  6616.28    498.810  5886.80    496.518  110.055 4.1846  103.759 4.4181  6.295448       6.085298  
1 1 1 1   11  28 o 23.748  6.7002  322.647    179.831  223.051    233.059  469.200    282.712  21.552  7.7852  28.550  8.5057  -6.998676      11.53067  
1 1 1 1   11  29 o 69.617  3.4769  2649.88    262.168  2659.42    369.553  2640.20    371.982  69.235  4.9610  68.966  5.0142  0.2695541      7.053600  
1 1 1 1   11  30 o 85.590  3.4148  4013.12    316.565  4209.50    441.284  3804.90    454.385  87.099  4.6951  82.615  5.1030  4.484238       6.934317  
1 1 1 1   11  31 o 36.434  6.0269  768.270    229.515  760.197    319.862  776.839    329.521  35.285  8.4757  35.613  8.6327  -0.3282394     12.09799  
1 1 1 1   11  32 o 22.156  1.5797  268.169    37.659   269.238    37.840   157.249    385.421  22.199  1.5841  22.722  9.4593  -0.5225315     9.591060  
1 1 1 1   11  33 o 3.4094  1.7225  -102.6411  30.600   -104.6990  30.740   121.488    320.803  3.3964  1.7172  20.410  8.5730  -17.01345      8.743268  
1 1 1 1   11  34 o 39.470  5.8970  946.159    244.370  732.401    332.324  1197.82    360.585  32.244  9.1121  42.592  8.1127  -10.34842      12.20031  
1 1 1 1   11  35 o 30.360  9.3882  688.969    340.085  459.005    403.662  1251.45    631.309  25.302  9.9847  35.877  12.830  -10.57540      16.25772  
1 1 1 1   11  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   12  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   12  2  o 430.365 14.552  100680.60  6783.31  0.0000     0.0000   100680.60  6783.31  ?       ?       430.365 14.552  0.000000       14.55240  
1 1 1 1   12  3  o 374.862 9.0064  76219.16   3656.73  68830.66   5171.20  83608.75   5171.58  355.889 13.415  392.359 12.169  -36.46967      18.11271  
1 1 1 1   12  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   12  5  o 212.813 3.9119  24537.10   901.699  23199.41   1803.19  24983.13   1041.23  206.788 8.0510  214.724 4.4771  -7.936874      9.212075  
1 1 1 1   12  6  f 310.418 5.6699  52241.62   1906.32  48720.25   3547.03  53671.86   2260.54  299.323 10.941  314.575 6.6347  -15.25180      12.79542  
1 1 1 1   12  7  o 183.528 4.1522  18251.47   825.366  17890.33   1010.85  18973.83   1429.62  181.674 5.1371  187.020 7.0577  -5.346008      8.729302  
1 1 1 1   12  8  o 474.155 8.6967  121993.10  4466.26  121826.20  6925.13  122112.00  5844.08  473.173 13.513  474.054 11.382  -0.8805847     17.66746  
1 1 1 1   12  9  o 239.915 4.3445  31182.29   1128.94  28698.68   1595.86  33670.21   1597.25  230.115 6.4030  249.265 5.9162  -19.14992      8.717742  
1 1 1 1   12  10 o 299.897 5.2612  48727.23   1708.95  50488.43   2416.77  46965.87   2416.88  305.208 7.3109  294.359 7.5807  10.84879       10.53165  
1 1 1 1   12  11 o 1039.82 34.550  596718.31  38911.74 0.0000     0.0000   596718.31  38911.74 ?       ?       1039.82 34.550  0.000000       34.55036  
1 1 1 1   12  12 o 285.566 5.0368  44181.95   1557.86  45680.89   2204.11  42685.63   2202.18  290.309 7.0097  280.622 7.2454  9.687256       10.08127  
1 1 1 1   12  13 o 260.790 6.6277  36863.96   1872.08  35062.51   2646.61  38667.90   2648.44  254.216 9.6120  266.989 9.1585  -12.77298      13.27668  
1 1 1 1   12  14 o 110.890 3.3092  6661.02    397.454  6537.25    478.960  6934.73    712.254  109.848 4.0257  112.963 5.8414  -3.114830      7.094225  
1 1 1 1   12  15 o 80.208  3.3520  3485.25    291.198  3068.36    498.807  3700.78    358.660  74.971  6.1984  82.645  4.0068  -7.674110      7.380721  
1 1 1 1   12  16 o 408.017 7.4045  90358.20   3272.25  89289.35   4288.84  91847.16   5061.98  405.262 9.7709  410.742 11.378  -5.480103      14.99793  
1 1 1 1   12  17 o 107.147 2.8722  6219.96    333.324  6091.89    469.996  6349.58    472.800  106.015 4.0932  108.235 4.0331  -2.220383      5.746292  
1 1 1 1   12  18 o 125.380 3.0926  8518.36    419.979  8830.77    601.337  8220.86    586.810  127.621 4.3504  123.133 4.4000  4.487671       6.187523  
1 1 1 1   12  19 o 322.669 6.1033  56539.49   2132.99  56814.32   3282.65  56338.66   2806.12  322.847 9.3877  321.768 8.0518  1.078461       12.36768  
1 1 1 1   12  20 o 130.578 3.1040  9241.27    438.993  8341.33    627.206  10105.52   614.646  123.993 4.6703  136.503 4.1573  -12.50994      6.252573  
1 1 1 1   12  21 o 178.343 3.6284  17246.36   700.886  16871.42   988.132  17625.99   994.302  176.280 5.1754  180.186 5.0948  -3.905975      7.262349  
1 1 1 1   12  22 o 155.671 3.4514  13141.23   581.935  13333.31   791.172  12914.82   858.963  156.718 4.6610  154.198 5.1431  2.519958       6.940949  
1 1 1 1   12  23 o 75.545  3.0713  3094.64    251.304  3150.66    347.495  3033.22    363.866  76.065  4.2347  74.600  4.5247  1.464905       6.197209  
1 1 1 1   12  24 o 180.186 3.8037  17628.28   742.324  16348.53   1103.37  18686.53   1003.35  173.211 5.8813  185.342 4.9982  -12.13054      7.718259  
1 1 1 1   12  25 o 133.451 3.1609  9669.29    456.883  9351.54    642.505  9994.32    649.818  131.064 4.5261  135.509 4.4274  -4.444794      6.331467  
1 1 1 1   12  26 o 154.826 3.4803  13039.32   583.615  12766.12   855.028  13277.63   798.573  152.789 5.1668  155.943 4.7280  -3.154007      7.003541  
1 1 1 1   12  27 o 138.557 3.2213  10450.86   483.422  10966.13   685.214  9940.24    682.121  141.593 4.4680  134.745 4.6739  6.848633       6.465937  
1 1 1 1   12  28 o 92.172  3.1005  4628.82    309.532  4205.42    427.271  5096.45    449.028  87.445  4.5268  96.448  4.2984  -9.002998      6.242423  
1 1 1 1   12  29 o 101.245 3.1887  5596.39    349.670  5568.21    493.709  5624.76    495.311  100.577 4.5321  101.090 4.5238  -0.5123825     6.403486  
1 1 1 1   12  30 o 130.894 3.3461  9382.52    474.384  9068.31    671.297  9695.96    670.464  127.908 4.8456  132.364 4.6766  -4.456619      6.734311  
1 1 1 1   12  31 o 21.149  8.4078  170.277    288.196  -82.9526   447.500  349.736    376.720  21.266  9.5027  26.102  9.8145  -4.835983      13.66106  
1 1 1 1   12  32 o 21.200  2.0734  247.259    46.998   243.049    47.336   538.456    393.682  21.011  2.1085  29.601  10.167  -8.589666      10.38291  
1 1 1 1   12  33 o 27.264  7.4869  464.263    227.839  123.879    309.803  865.234    336.246  20.193  8.4499  36.675  8.6119  -16.48197      12.06500  
1 1 1 1   12  34 o 21.760  2.1305  262.345    49.568   76.207     298.269  267.631    50.267   18.531  8.0350  21.978  2.1388  -3.446520      8.314770  
1 1 1 1   12  35 o 16.839  7.6964  -52.8391   313.646  -61.7446   365.980  -28.2083   608.653  17.852  8.2160  21.719  10.195  -3.866886      13.09380  
1 1 1 1   12  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  2  o 388.163 9.3356  81728.52   3924.87  81728.52   3924.87  0.0000     0.0000   388.163 9.3356  ?       ?       0.000000       9.335586  
1 1 1 1   13  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  4  o 316.039 5.4938  54130.01   1880.55  55053.05   2659.66  53207.20   2659.33  318.611 7.7072  313.216 7.8390  5.394501       10.99317  
1 1 1 1   13  5  o 257.029 4.5499  35799.48   1266.64  36559.38   2533.54  35546.26   1462.54  259.504 9.0139  256.091 5.2728  3.413452       10.44287  
1 1 1 1   13  6  o 482.893 16.293  127471.60  8521.84  0.0000     0.0000   127471.60  8521.84  ?       ?       482.893 16.293  0.000000       16.29340  
1 1 1 1   13  7  o 267.995 5.5237  38933.51   1603.36  41963.16   2777.30  37419.02   1963.63  277.981 9.2244  262.658 6.9024  15.32294       11.52096  
1 1 1 1   13  8  o 378.227 6.9063  77561.96   2829.21  77340.52   3710.63  77869.45   4372.59  377.528 9.0746  378.673 10.661  -1.144989      14.00031  
1 1 1 1   13  9  o 415.090 9.0850  93446.02   4084.47  89184.55   6369.91  96421.55   5322.74  405.054 14.519  421.447 11.661  -16.39310      18.62217  
1 1 1 1   13  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  11 o 909.207 21.161  450911.41  20838.34 450696.50  29469.52 451126.41  29470.22 905.698 30.041  906.136 30.028  -0.4377441     42.47510  
1 1 1 1   13  12 o 553.510 9.0219  166155.09  5408.69  181357.59  7649.70  150957.80  7648.39  577.932 12.221  527.135 13.396  50.79712       18.13290  
1 1 1 1   13  13 o 558.136 11.885  169182.09  7184.97  162896.30  9383.16  178092.00  11171.33 547.068 15.836  571.587 18.045  -24.51904      24.00803  
1 1 1 1   13  14 o 507.895 9.2518  139995.30  5089.44  137612.70  7894.69  141689.80  6657.52  502.776 14.497  510.582 12.039  -7.806946      18.84419  
1 1 1 1   13  15 o 318.627 7.1398  55070.77   2464.00  56599.00   5692.97  54718.50   2733.28  321.479 16.404  317.544 7.9471  3.935486       18.22811  
1 1 1 1   13  16 o 383.510 6.5263  79793.06   2710.91  78558.87   3832.97  81028.35   3834.65  380.184 9.3083  386.134 9.1689  -5.949921      13.06574  
1 1 1 1   13  17 o 108.561 2.8853  6385.25    339.262  6258.30    475.343  6517.07    484.363  107.452 4.0843  109.651 4.0784  -2.199158      5.771911  
1 1 1 1   13  18 o 237.247 4.3564  30518.25   1119.44  30457.68   1583.26  30578.79   1583.00  236.869 6.1713  237.340 6.1580  -0.4716949     8.718092  
1 1 1 1   13  19 o 385.849 7.6389  80977.20   3192.40  82543.73   3832.58  77427.26   5769.44  389.213 9.0915  375.308 14.193  13.90485       16.85521  
1 1 1 1   13  20 o 206.856 4.1066  23205.90   920.066  24170.60   1226.96  21966.51   1390.71  211.005 5.3687  201.052 6.3864  9.952515       8.343205  
1 1 1 1   13  21 o 467.086 7.8489  118847.00  3970.80  120651.20  5615.07  117042.20  5616.05  469.271 11.047  462.115 11.220  7.156067       15.74627  
1 1 1 1   13  22 o 298.536 5.2404  48415.73   1694.45  47537.23   2394.67  49296.63   2397.96  295.337 7.4861  300.784 7.3607  -5.447296      10.49865  
1 1 1 1   13  23 f 184.753 3.8946  18523.92   779.329  17328.58   1161.36  19503.13   1051.14  178.435 6.0092  189.429 5.1232  -10.99353      7.896716  
1 1 1 1   13  24 o 57.118  3.4246  1776.88    210.881  1928.16    289.590  1606.11    307.695  59.386  4.5365  54.061  5.3240  5.324848       6.994618  
1 1 1 1   13  25 o 138.617 3.2871  10435.07   493.519  10573.55   678.640  10279.63   718.988  139.363 4.4960  137.356 4.8329  2.006683       6.600778  
1 1 1 1   13  26 o 58.287  3.2529  1852.86    204.541  1914.43    282.199  1784.70    296.888  59.075  4.4429  56.954  4.8593  2.121590       6.584280  
1 1 1 1   13  27 o 169.453 3.4679  15645.29   636.483  15812.70   901.016  15478.54   899.231  169.845 4.8979  168.023 4.9412  1.822174       6.957345  
1 1 1 1   13  28 o 128.188 3.1501  8955.28    437.360  8898.19    613.272  9014.36    623.906  127.381 4.4451  128.192 4.4935  -0.8112946     6.320625  
1 1 1 1   13  29 o 103.782 3.2657  5882.94    367.081  5550.16    513.346  6231.15    525.115  100.339 4.7236  106.381 4.5574  -6.042480      6.563730  
1 1 1 1   13  30 o 87.688  4.7534  4270.69    449.768  3601.38    658.102  4857.31    616.107  78.841  7.8095  92.759  6.1676  -13.91780      9.951208  
1 1 1 1   13  31 o 33.314  8.4637  678.779    306.003  1230.71    471.352  276.693    402.311  44.219  10.067  25.182  9.9583  19.03647       14.16051  
1 1 1 1   13  32 o 18.255  1.5825  182.512    30.981   116.509    45.364   240.204    42.411   14.306  3.0223  20.920  1.8923  -6.613212      3.565811  
1 1 1 1   13  33 o 41.329  5.6675  1001.21    247.016  975.888    347.979  1026.93    350.703  39.075  8.4668  40.211  8.3265  -1.136173      11.87508  
1 1 1 1   13  34 f 49.093  4.8285  1409.13    253.423  1405.31    340.610  1413.86    379.293  47.370  6.8365  46.629  7.7846  0.7413750      10.36041  
1 1 1 1   13  35 f 31.029  9.3691  721.156    341.329  785.729    405.158  563.265    633.544  31.372  10.309  26.904  11.688  4.468737       15.58447  
1 1 1 1   13  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   14  0  o 208.255 3.9297  23493.78   886.393  23234.20   1253.59  23753.32   1253.51  207.071 5.5894  209.373 5.5276  -2.301834      7.861025  
1 1 1 1   14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   14  3  o 388.739 9.3668  81995.82   3943.84  79367.10   5577.50  84624.41   5577.36  382.063 13.478  394.563 13.051  -12.50012      18.76141  
1 1 1 1   14  4  o 299.721 5.2476  48683.91   1703.53  48483.68   2409.27  48884.09   2409.03  298.996 7.4396  300.229 7.4083  -1.233917      10.49909  
1 1 1 1   14  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   14  6  o 346.970 6.9046  65305.78   2594.78  63199.98   4494.37  66358.63   3177.92  340.727 12.178  349.615 8.3923  -8.888123      14.79005  
1 1 1 1   14  7  o 404.418 7.3735  88720.26   3229.81  84880.60   5985.79  90297.30   3836.17  394.716 14.001  407.865 8.6838  -13.14929      16.47556  
1 1 1 1   14  8  o 232.193 4.9368  29213.12   1241.56  28560.53   2150.40  29539.44   1520.61  229.454 8.6527  233.455 6.0137  -4.001129      10.53730  
1 1 1 1   14  9  o 349.765 6.0173  66291.63   2279.53  66609.82   3223.66  65973.39   3223.82  350.497 8.4917  348.817 8.5330  1.680511       12.03833  
1 1 1 1   14  10 o 248.460 4.7280  33442.71   1272.33  34039.57   1683.01  32646.63   1943.72  250.636 6.1997  245.426 7.3121  5.210068       9.586633  
1 1 1 1   14  11 o 330.992 5.7430  59362.12   2058.85  60198.59   2911.46  58525.44   2911.85  333.229 8.0667  328.561 8.1824  4.668488       11.49020  
1 1 1 1   14  12 o 855.814 19.743  399405.69  18300.61 0.0000     0.0000   399405.69  18300.61 ?       ?       855.814 19.743  0.000000       19.74313  
1 1 1 1   14  13 o 484.313 10.630  127320.00  5576.17  133326.09  7276.16  118772.60  8680.09  495.246 13.565  466.908 17.164  28.33737       21.87717  
1 1 1 1   14  14 o 125.520 3.0124  8534.24    409.537  8655.92    573.774  8407.87    584.726  126.397 4.1911  124.571 4.3338  1.826187       6.028856  
1 1 1 1   14  15 o 466.792 11.438  118513.00  5782.81  120937.40  7871.77  115670.70  8523.30  470.708 15.440  459.933 17.110  10.77423       23.04647  
1 1 1 1   14  16 o 144.773 3.2440  11355.63   508.681  11146.82   716.849  11567.42   721.944  143.403 4.6153  146.085 4.5628  -2.681961      6.489980  
1 1 1 1   14  17 o 375.161 6.3883  76389.66   2595.81  73961.99   3670.67  78818.30   3671.39  368.717 9.1914  380.683 8.9043  -11.96576      12.79717  
1 1 1 1   14  18 o 35.527  3.9785  692.748    150.462  627.648    209.023  762.754    216.757  33.505  5.9792  37.084  5.5686  -3.578808      8.170732  
1 1 1 1   14  19 o 138.761 3.3076  10435.92   497.109  10816.05   721.871  10093.05   685.571  141.205 4.7200  136.408 4.6403  4.797211       6.618915  
1 1 1 1   14  20 o 128.452 3.1208  8943.06    434.195  9038.66    604.738  8841.35    623.795  129.088 4.3253  127.662 4.5114  1.425735       6.249839  
1 1 1 1   14  21 o 186.374 3.9154  18838.65   790.376  18446.30   1181.56  19156.38   1063.29  184.248 5.9209  187.831 5.2265  -3.582504      7.897676  
1 1 1 1   14  22 o 135.807 3.2674  10000.47   480.614  9591.40    688.682  10388.86   671.044  132.907 4.7841  138.345 4.4784  -5.437393      6.553110  
1 1 1 1   14  23 o 38.590  4.4337  819.292    181.950  924.064    245.807  692.309    270.611  40.823  5.7161  34.972  7.3763  5.850471       9.331875  
1 1 1 1   14  24 o 246.410 4.5133  33006.61   1204.54  30292.86   1700.81  35737.43   1706.15  235.537 6.6669  255.985 6.1537  -20.44818      9.072793  
1 1 1 1   14  25 o 45.367  2.0045  1115.81    98.495   1073.54    248.158  1123.71    107.309  44.047  5.3086  45.523  2.1764  -1.476025      5.737404  
1 1 1 1   14  26 o 59.974  3.2007  1961.03    207.162  2092.99    286.013  1815.40    300.462  61.803  4.2995  57.437  4.8759  4.366192       6.500742  
1 1 1 1   14  27 o 39.134  4.5054  848.750    187.483  697.990    259.175  1014.24    271.539  34.855  7.1063  42.470  6.0763  -7.615597      9.349903  
1 1 1 1   14  28 o 37.303  2.4210  759.581    97.287   1113.60    284.247  712.607    103.540  44.442  6.0635  36.095  2.6674  8.347065       6.624226  
1 1 1 1   14  29 o 114.242 3.2673  7129.05    404.279  7159.34    565.823  7097.45    577.841  114.013 4.5820  113.469 4.7018  0.5440979      6.565165  
1 1 1 1   14  30 o 25.280  8.7635  349.853    292.847  506.049    450.252  235.332    385.535  30.133  10.829  24.488  9.7280  5.644690       14.55695  
1 1 1 1   14  31 o 28.369  8.8658  484.835    302.392  -349.4169  464.303  1099.36    398.495  19.126  8.9545  42.299  8.9759  -23.17327      12.67876  
1 1 1 1   14  32 o 69.391  2.7504  2637.89    206.717  2387.01    377.997  2744.94    246.911  64.740  5.4411  70.633  3.2275  -5.892456      6.326347  
1 1 1 1   14  33 o 45.580  4.9134  1194.34    238.728  1228.58    325.962  1154.72    350.607  45.036  6.9026  43.021  7.8121  2.014400       10.42473  
1 1 1 1   14  34 o 26.407  7.5706  460.385    227.722  486.983    303.602  426.173    344.324  26.537  8.9298  25.183  9.3998  1.353605       12.96522  
1 1 1 1   14  35 o 3.9710  2.0131  -157.4338  44.099   205.083    364.938  -162.8058  44.425   21.054  9.0050  3.9434  2.0014  17.11037       9.224708  
1 1 1 1   14  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   15  0  o 461.972 10.979  115847.60  5493.32  114841.30  7768.77  116853.90  7768.68  459.414 15.613  463.441 15.477  -4.026947      21.98386  
1 1 1 1   15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   15  2  o 149.006 3.1641  12026.56   510.658  12011.76   722.279  12041.35   722.078  148.899 4.4786  149.082 4.4719  -0.1833954     6.328946  
1 1 1 1   15  3  o 138.248 3.0088  10352.61   450.522  10281.44   637.295  10423.71   636.976  137.757 4.2713  138.707 4.2399  -0.9502258     6.018342  
1 1 1 1   15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   15  5  o 118.720 2.8246  7634.92    363.200  7815.85    503.849  7439.19    524.030  120.104 3.8732  117.170 4.1292  2.933823       5.661476  
1 1 1 1   15  6  o 497.856 11.803  134871.70  6364.44  134434.00  9000.56  135309.50  9000.79  495.849 16.759  497.477 16.705  -1.627350      23.66247  
1 1 1 1   15  7  o 461.782 7.7382  115681.30  3870.33  121040.00  7740.86  113895.20  4469.04  471.203 15.167  458.063 9.0078  13.14014       17.64059  
1 1 1 1   15  8  o 499.142 8.3185  135119.09  4497.15  134254.41  8994.13  135407.41  5192.89  496.452 16.727  499.555 9.5974  -3.103058      19.28460  
1 1 1 1   15  9  o 495.667 11.741  133350.00  6303.03  0.0000     0.0000   133350.00  6303.03  ?       ?       495.667 11.741  0.000000       11.74058  
1 1 1 1   15  10 o 687.572 11.993  256587.59  8931.12  246555.09  11662.22 270816.00  13888.51 673.419 15.989  705.369 18.179  -31.95074      24.21008  
1 1 1 1   15  11 o 374.119 6.7978  75855.80   2754.55  73768.76   4254.69  77361.82   3614.23  368.732 10.653  377.715 8.8345  -8.983154      13.83989  
1 1 1 1   15  12 o 511.262 9.7251  141798.59  5385.25  135500.50  9325.65  144949.59  6596.23  498.861 17.260  516.704 11.786  -17.84280      20.90007  
1 1 1 1   15  13 o 364.692 8.0393  72124.16   3175.52  73304.09   4131.04  70419.89   4964.78  367.498 10.378  359.991 12.733  7.506805       16.42704  
1 1 1 1   15  14 f 132.764 3.5740  9548.77    513.937  9376.55    625.768  9905.68    900.836  131.550 4.3919  135.177 6.1528  -3.627563      7.559464  
1 1 1 1   15  15 o 486.530 9.4193  128578.80  4963.62  136137.41  8597.86  124800.30  6078.95  499.239 15.901  478.934 11.719  20.30539       19.75241  
1 1 1 1   15  16 o 278.384 4.9570  42014.09   1494.62  42436.22   2112.67  41591.11   2114.77  279.631 6.9755  276.826 7.0532  2.805023       9.919928  
1 1 1 1   15  17 o 367.450 6.2771  73278.65   2498.19  70394.20   3531.87  76166.71   3534.08  359.723 9.0650  374.245 8.7187  -14.52170      12.57732  
1 1 1 1   15  18 o 249.196 4.5226  33674.07   1220.66  32798.84   1725.15  34551.58   1727.41  245.765 6.4809  252.263 6.3222  -6.497803      9.053902  
1 1 1 1   15  19 o 252.691 4.6781  34636.93   1280.35  36463.68   1694.62  32207.12   1954.43  259.126 6.0380  243.362 7.4148  15.76401       9.562200  
1 1 1 1   15  20 o 388.086 6.5907  81868.75   2770.31  78917.00   3916.83  84823.45   3918.80  380.260 9.5101  394.339 9.1751  -14.07877      13.21456  
1 1 1 1   15  21 o 254.012 4.9820  35026.38   1370.64  33425.98   1813.33  37159.48   2093.47  247.890 6.7538  261.253 7.3984  -13.36212      10.01748  
1 1 1 1   15  22 o 195.762 3.8411  20789.61   814.420  21078.63   1149.69  20498.50   1153.85  196.953 5.3895  194.212 5.4853  2.741013       7.689944  
1 1 1 1   15  23 o 163.065 3.4354  14424.32   606.749  12570.16   853.505  16318.72   862.715  152.060 5.1823  173.327 4.5955  -21.26680      6.926358  
1 1 1 1   15  24 o 69.045  2.4955  2584.75    186.622  2392.00    321.394  2682.80    229.225  66.180  4.5106  70.324  3.0095  -4.143425      5.422427  
1 1 1 1   15  25 o 116.044 3.0027  7310.57    377.407  6965.56    526.166  7676.17    541.639  113.127 4.2942  118.769 4.2105  -5.641930      6.014053  
1 1 1 1   15  26 o 53.272  3.3903  1549.93    194.602  1484.89    268.551  1621.85    282.389  51.910  4.8320  54.266  4.8558  -2.355972      6.850339  
1 1 1 1   15  27 o 187.697 3.6487  19211.61   741.766  19755.98   1049.49  18668.21   1048.55  189.710 5.1076  184.342 5.2516  5.367523       7.325779  
1 1 1 1   15  28 o 82.722  2.7872  3724.65    249.722  3925.12    406.316  3602.96    316.568  84.474  4.4567  81.223  3.5985  3.251556       5.728092  
1 1 1 1   15  29 o 78.164  2.8878  3331.26    244.480  3153.85    345.886  3508.39    345.608  75.646  4.2387  79.969  3.9902  -4.323471      5.821331  
1 1 1 1   15  30 f 27.674  8.7919  447.860    296.223  269.944    453.955  579.797    390.921  26.225  10.510  31.169  10.120  -4.943272      14.59057  
1 1 1 1   15  31 o 76.582  2.3440  3198.57    194.423  2960.39    273.759  3440.95    276.169  73.377  3.4446  79.184  3.2201  -5.806984      4.715335  
1 1 1 1   15  32 o 50.159  4.4962  1415.20    241.675  1547.13    329.914  1262.41    355.025  51.741  5.9982  45.950  7.3836  5.791569       9.512956  
1 1 1 1   15  33 o 30.462  1.7706  507.635    58.167   320.301    295.524  515.185    59.328   23.593  8.7276  30.684  1.7929  -7.091749      8.909816  
1 1 1 1   15  34 o 17.808  7.2231  134.966    217.234  0.6863     290.724  304.716    326.875  17.244  7.6857  22.738  8.9812  -5.494898      11.82083  
1 1 1 1   15  35 o 36.797  8.8478  968.605    348.292  1042.59    413.269  787.226    647.059  36.724  10.083  29.284  12.229  7.439686       15.84981  
1 1 1 1   15  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   15  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  4  o 560.205 18.780  171849.59  11394.90 171849.59  11394.90 0.0000     0.0000   560.205 18.780  ?       ?       0.000000       18.77990  
1 1 1 1   16  5  o 328.010 6.5778  58354.08   2336.89  56577.17   2862.20  61907.12   4047.32  322.843 8.1854  337.380 11.076  -14.53683      13.77225  
1 1 1 1   16  6  o 381.759 6.5156  79037.61   2694.09  78079.10   5388.51  79357.06   3110.81  378.615 13.140  382.440 7.5100  -3.825409      15.13485  
1 1 1 1   16  7  o 353.634 6.4429  67798.76   2467.76  61303.54   6850.98  68767.15   2645.34  334.341 18.997  356.124 6.8582  -21.78317      20.19722  
1 1 1 1   16  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   16  9  o 369.328 6.3131  73915.85   2525.37  72816.78   5050.32  74282.29   2916.13  366.220 12.732  370.204 7.2727  -3.984772      14.66300  
1 1 1 1   16  10 o 609.554 17.365  202154.50  11464.69 0.0000     0.0000   202154.50  11464.69 ?       ?       609.554 17.365  0.000000       17.36522  
1 1 1 1   16  11 o 393.371 6.6801  83862.48   2846.13  83680.03   4025.17  84044.90   4024.90  392.797 9.4612  393.653 9.4400  -0.8567200     13.36516  
1 1 1 1   16  12 o 713.833 14.954  277090.09  11562.05 285724.09  17946.49 270963.59  15117.47 722.867 22.922  704.807 19.803  18.06085       30.29169  
1 1 1 1   16  13 o 758.742 16.261  313532.69  13363.02 328778.31  17476.62 292072.91  20734.64 775.579 20.805  729.020 26.260  46.55908       33.50220  
1 1 1 1   16  14 o 97.357  3.2995  5134.53    347.925  5230.38    420.687  4927.07    618.928  98.255  3.9531  95.145  6.0373  3.109680       7.216315  
1 1 1 1   16  15 o 439.519 8.5434  104882.50  4067.04  105651.90  7044.45  104497.80  4981.04  440.014 14.781  438.430 10.489  1.584412       18.12490  
1 1 1 1   16  16 f 418.707 7.4387  95179.23   3373.47  95565.72   4420.67  94640.34   5219.93  419.185 9.7367  416.788 11.563  2.397766       15.11662  
1 1 1 1   16  17 f 49.866  3.3316  1353.47    178.906  1071.36    246.554  1667.19    260.003  44.133  5.2617  55.282  4.3781  -11.14974      6.844996  
1 1 1 1   16  18 o 280.054 4.9414  42542.32   1498.87  41735.73   2118.95  43350.10   2120.50  277.155 7.0587  282.481 6.9307  -5.326080      9.892462  
1 1 1 1   16  19 o 227.026 4.9167  27963.97   1208.98  29573.46   1709.25  26352.59   1710.25  233.275 6.7650  220.158 7.1723  13.11703       9.859323  
1 1 1 1   16  20 o 386.710 6.5569  81288.72   2746.32  77511.19   3882.91  85070.08   3884.87  376.844 9.5132  394.928 9.0821  -18.08398      13.15240  
1 1 1 1   16  21 o 268.473 5.0490  39132.01   1468.16  39250.76   1939.25  38972.56   2247.22  268.630 6.6651  267.470 7.7571  1.160309       10.22726  
1 1 1 1   16  22 o 265.702 5.0411  38347.68   1450.74  40565.63   1917.38  35377.58   2218.79  273.009 6.4843  254.613 8.0457  18.39610       10.33342  
1 1 1 1   16  23 o 104.027 2.9199  5867.77    328.994  5154.03    475.554  6522.93    455.622  97.411  4.5073  109.631 3.8371  -12.21992      5.919392  
1 1 1 1   16  24 o 155.316 3.5633  13096.31   599.441  13535.61   877.872  12712.55   820.507  157.690 5.1399  152.848 4.9562  4.842026       7.140258  
1 1 1 1   16  25 o 58.777  3.3345  1882.69    211.403  1816.19    295.508  1952.40    302.554  57.532  4.7857  59.675  4.7195  -2.142776      6.721396  
1 1 1 1   16  26 o 94.760  2.9905  4880.12    306.935  5017.23    441.167  4751.50    427.309  95.910  4.2469  93.339  4.2268  2.571220       5.991775  
1 1 1 1   16  27 o 61.233  2.4723  2037.15    163.967  2080.70    189.258  1906.06    328.325  61.854  2.8250  58.683  5.2202  3.171558       5.935533  
1 1 1 1   16  28 o 8.0109  3.0643  23.709     37.110   -440.9154  261.102  33.288     37.490   12.512  6.0815  8.6126  3.1207  3.898920       6.835430  
1 1 1 1   16  29 o 35.113  1.3694  668.725    52.079   667.392    74.336   670.010    72.984   34.994  1.9693  35.067  1.9290  -0.7328415E-01 2.756611  
1 1 1 1   16  30 o 24.914  7.2657  362.887    208.149  182.139    280.801  583.334    310.110  21.375  8.3605  31.105  8.8065  -9.729582      12.14301  
1 1 1 1   16  31 o 32.143  1.3415  560.834    46.703   424.640    64.766   708.363    67.408   27.834  2.1654  36.097  1.7241  -8.262238      2.767924  
1 1 1 1   16  32 o 47.895  4.6404  1294.91    237.700  1269.74    323.059  1324.63    350.994  46.493  6.6007  47.238  7.0781  -0.7452087     9.678283  
1 1 1 1   16  33 o 19.728  1.2344  212.296    26.243   -24.6703   281.309  214.376    26.358   17.117  7.5986  19.824  1.2337  -2.707905      7.698119  
1 1 1 1   16  34 o 46.285  5.6332  1288.51    276.576  1105.42    425.778  1422.17    363.776  38.717  10.061  47.090  7.3745  -8.372822      12.47457  
1 1 1 1   16  35 o 26.269  9.2870  508.250    329.856  698.598    387.647  8.7749     627.942  29.766  10.090  22.109  10.371  7.656961       14.46959  
1 1 1 1   16  36 o 21.171  9.0799  256.099    372.856  256.099    372.856  0.0000     0.0000   21.171  9.0799  ?       ?       0.000000       9.079883  
1 1 1 1   16  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   17  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   17  1  o 538.728 18.035  158372.70  10523.14 158372.70  10523.14 0.0000     0.0000   538.728 18.035  ?       ?       0.000000       18.03456  
1 1 1 1   17  2  o 218.429 4.0868  25849.05   966.859  26390.85   1367.28  25307.15   1367.41  220.661 5.7208  216.080 5.8427  4.581924       8.177130  
1 1 1 1   17  3  o 485.034 16.333  128386.90  8580.43  0.0000     0.0000   128386.90  8580.43  ?       ?       485.034 16.333  0.000000       16.33301  
1 1 1 1   17  4  o 287.695 5.1010  44862.11   1589.49  45148.52   2247.99  44575.76   2247.77  288.489 7.1944  286.650 7.2399  1.838898       10.20664  
1 1 1 1   17  5  f 183.514 4.1400  18248.95   822.891  18479.29   1008.34  17789.65   1423.86  184.642 5.0420  181.078 7.2599  3.563904       8.839026  
1 1 1 1   17  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   17  7  o 154.906 3.2385  12998.28   543.362  12891.23   1086.00  13034.03   627.560  154.208 6.5021  155.112 3.7354  -0.9045105     7.498686  
1 1 1 1   17  8  o 563.740 9.3027  172375.91  5680.15  159579.41  11359.74 176642.00  6558.99  541.002 19.387  570.539 10.614  -29.53741      22.10192  
1 1 1 1   17  9  o 493.091 8.2085  131807.91  4383.89  128866.30  8767.54  132788.50  5062.13  486.779 16.629  494.839 9.4449  -8.059692      19.12440  
1 1 1 1   17  10 o 745.688 24.709  303990.31  19956.72 0.0000     0.0000   303990.31  19956.72 ?       ?       745.688 24.709  0.000000       24.70938  
1 1 1 1   17  11 f 357.325 7.8086  69216.85   3022.09  66617.20   4728.60  71011.92   3929.30  350.272 12.464  361.808 10.027  -11.53583      15.99654  
1 1 1 1   17  12 f 188.238 4.2326  19195.47   862.938  18184.98   1486.57  19709.03   1059.77  183.150 7.4939  190.724 5.1302  -7.573761      9.081726  
1 1 1 1   17  13 o 497.081 9.0169  134051.80  4854.62  130193.60  7529.03  136797.20  6351.21  489.227 14.209  501.841 11.685  -12.61359      18.39634  
1 1 1 1   17  14 o 574.951 12.322  179792.50  7673.07  178536.09  8433.33  185833.30  18492.13 572.671 13.596  577.916 29.643  -5.244751      32.61204  
1 1 1 1   17  15 o 183.047 4.2214  18157.06   836.940  19287.88   1452.48  17594.97   1024.03  188.550 7.1124  180.160 5.2479  8.390060       8.838881  
1 1 1 1   17  16 o 510.742 8.5560  141746.70  4733.06  142152.70  6693.21  141340.70  6693.90  510.611 12.102  509.141 12.139  1.470612       17.14108  
1 1 1 1   17  17 o 274.388 4.9023  40828.37   1456.91  39809.21   2059.63  41849.04   2061.15  270.747 7.0235  277.615 6.8548  -6.868317      9.814182  
1 1 1 1   17  18 o 312.343 5.4648  52938.59   1848.73  52427.89   2613.85  53449.79   2615.15  310.515 7.7719  313.538 7.7008  -3.023132      10.94098  
1 1 1 1   17  19 o 88.937  2.8744  4286.34    276.884  4316.29    393.369  4256.93    389.802  89.219  4.0708  88.603  4.0619  0.6153946      5.750634  
1 1 1 1   17  20 o 354.265 6.6262  68228.48   2542.52  70131.28   3921.54  66848.60   3339.51  358.260 10.106  350.150 8.8056  8.110413       13.40425  
1 1 1 1   17  21 o 393.228 7.2743  84181.88   3098.17  86971.20   4788.43  82173.40   4063.28  398.302 11.100  387.726 9.6757  10.57596       14.72488  
1 1 1 1   17  22 o 273.582 5.5807  40684.86   1653.67  42552.30   2340.99  38824.91   2336.29  279.312 7.7382  266.711 8.0875  12.60123       11.19321  
1 1 1 1   17  23 o 38.865  1.9028  818.454    80.098   827.158    84.385   739.262    254.534  39.019  2.0035  36.255  6.7297  2.763626       7.021611  
1 1 1 1   17  24 f 120.357 3.0953  7859.90    403.506  7793.19    567.188  7928.25    574.164  119.732 4.3737  120.763 4.3897  -1.031403      6.196640  
1 1 1 1   17  25 o 49.066  3.6994  1316.25    195.156  1633.32    273.895  989.280    278.140  54.550  4.6811  42.054  6.3004  12.49625       7.849056  
1 1 1 1   17  26 o 108.756 3.0640  6429.82    360.919  6168.97    517.306  6677.23    503.795  106.296 4.4933  110.644 4.2039  -4.348183      6.153242  
1 1 1 1   17  27 o 99.320  2.8964  5366.25    311.581  5802.09    418.479  4824.06    466.747  103.119 3.7468  93.851  4.5917  9.268196       5.926414  
1 1 1 1   17  28 f 49.289  6.2238  1369.40    324.853  1370.34    488.604  1368.65    434.894  48.057  9.7209  48.458  8.6011  -0.4005241     12.97982  
1 1 1 1   17  29 o 46.100  1.7120  1153.76    85.484   1207.07    121.283  1101.13    120.507  47.039  2.3883  44.908  2.4872  2.131367       3.448261  
1 1 1 1   17  30 o 74.210  3.5021  3020.97    281.490  3255.57    386.859  2757.00    410.355  76.518  4.6905  70.070  5.4499  6.447708       7.190398  
1 1 1 1   17  31 o 18.378  2.0495  186.159    40.101   185.075    40.440   250.003    310.328  18.319  2.0747  23.096  8.8550  -4.776867      9.094784  
1 1 1 1   17  32 o 36.440  5.8899  774.599    224.533  1032.33    303.912  464.839    333.177  41.633  6.9872  27.657  9.3544  13.97615       11.67586  
1 1 1 1   17  33 o 20.446  7.4355  231.275    213.109  226.881    287.629  236.623    317.319  21.471  8.4426  22.113  8.8125  -0.6414356     12.20395  
1 1 1 1   17  34 o 23.901  1.6853  313.648    43.349   90.404     367.017  316.806    43.654   19.968  8.7800  24.021  1.6886  -4.053263      8.940896  
1 1 1 1   17  35 o 24.463  9.0490  422.862    317.688  433.199    377.186  397.627    589.323  24.691  9.6808  25.016  11.057  -0.3250465     14.69602  
1 1 1 1   17  36 o 17.598  8.1247  -29.0445   361.969  -29.0445   361.969  0.0000     0.0000   17.598  8.1247  ?       ?       0.000000       8.124709  
1 1 1 1   17  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   18  1  o 178.540 3.5221  17268.42   681.105  17530.23   963.284  17006.66   963.172  179.861 4.9448  177.152 5.0198  2.708023       7.046231  
1 1 1 1   18  2  o 231.587 4.2563  29059.54   1067.62  29150.15   1509.88  28968.93   1509.80  231.889 6.0116  231.166 6.0301  0.7226715      8.514812  
1 1 1 1   18  3  o 276.040 4.9204  41297.29   1471.10  43172.73   2080.62  39422.44   2080.29  282.137 6.8087  269.586 7.1245  12.55164       9.854785  
1 1 1 1   18  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   18  5  o 395.353 6.6835  84774.32   2861.93  81613.93   4047.53  87934.26   4047.24  387.599 9.6413  402.373 9.2867  -14.77374      13.38647  
1 1 1 1   18  6  o 407.368 6.9038  89993.49   3046.13  91842.73   4308.06  88144.55   4307.70  411.261 9.6715  402.873 9.8721  8.387787       13.82011  
1 1 1 1   18  7  o 119.600 2.8172  7747.73    364.936  7709.79    727.626  7760.48    421.826  119.275 5.6323  119.695 3.2538  -0.4191284     6.504629  
1 1 1 1   18  8  o 610.095 11.657  202037.20  7702.83  198069.59  13341.25 204021.20  9434.16  602.644 20.439  612.742 14.215  -10.09711      24.89654  
1 1 1 1   18  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   18  10 o 663.462 12.529  238970.09  9003.52  227076.30  15593.66 244918.00  11027.34 645.015 22.321  671.283 15.167  -26.26770      26.98605  
1 1 1 1   18  11 o 491.414 8.1765  130927.20  4351.96  147668.91  8705.76  125349.70  5024.85  521.129 15.424  480.725 9.6506  40.40356       18.19420  
1 1 1 1   18  12 o 560.730 18.727  171417.70  11373.33 0.0000     0.0000   171417.70  11373.33 ?       ?       560.730 18.727  0.000000       18.72678  
1 1 1 1   18  13 o 342.236 6.3599  63488.11   2357.49  64609.70   3633.88  62672.98   3097.89  345.033 9.7239  339.914 8.4144  5.118744       12.85910  
1 1 1 1   18  14 f 757.044 14.399  312259.91  11806.27 305967.69  14459.19 324847.00  20450.42 748.167 17.843  767.713 24.594  -19.54626      30.38519  
1 1 1 1   18  15 o 445.713 11.118  108078.30  5367.03  107470.50  11170.88 108260.70  6119.60  440.394 23.504  445.784 12.674  -5.389893      26.70388  
1 1 1 1   18  16 o 141.137 3.2186  10792.80   492.019  10935.86   679.892  10635.50   712.923  142.038 4.4194  140.065 4.6994  1.972672       6.451011  
1 1 1 1   18  17 o 114.007 2.9020  7042.32    358.349  6439.55    505.077  7653.30    508.506  108.988 4.2787  118.825 3.9511  -9.837303      5.823928  
1 1 1 1   18  18 o 190.833 3.9167  19742.48   809.557  21079.18   1085.37  18066.31   1215.40  197.117 5.0838  182.412 6.1517  14.70465       7.980494  
1 1 1 1   18  19 o 122.417 3.0557  8121.61    405.162  8185.95    571.379  8056.55    574.606  122.857 4.2939  121.880 4.3528  0.9773712      6.114307  
1 1 1 1   18  20 o 199.841 4.2263  21661.80   914.767  22875.76   1151.19  19582.02   1506.79  205.283 5.1775  189.704 7.3334  15.57857       8.976952  
1 1 1 1   18  21 o 243.594 4.4104  32197.76   1163.64  32782.50   1645.93  31613.45   1645.33  245.563 6.1884  241.128 6.2999  4.435135       8.830935  
1 1 1 1   18  22 f 198.570 3.8736  21392.15   833.094  21532.69   1178.77  21251.89   1177.57  199.042 5.4678  197.736 5.4983  1.306061       7.754275  
1 1 1 1   18  23 o 177.771 3.7631  17151.14   724.563  17858.04   979.519  16296.95   1076.74  181.251 4.9896  173.042 5.7450  8.209167       7.609261  
1 1 1 1   18  24 o 49.423  3.7767  1334.39    200.639  1285.10    284.001  1383.51    283.494  48.252  5.5342  50.125  5.3023  -1.872536      7.664352  
1 1 1 1   18  25 o 84.189  2.9956  3848.48    273.154  3693.58    384.253  4006.72    388.376  82.248  4.3287  85.796  4.1794  -3.547935      6.017051  
1 1 1 1   18  26 o 85.172  3.1204  3944.45    287.858  4221.60    420.880  3700.86    394.576  87.822  4.4391  82.212  4.4478  5.610619       6.283997  
1 1 1 1   18  27 o 71.845  3.3799  2812.76    263.012  2614.04    302.663  3425.63    531.526  69.049  4.0649  78.449  6.3089  -9.400215      7.505076  
1 1 1 1   18  28 o 47.157  6.4357  1259.05    320.128  1486.99    481.514  1078.49    428.557  50.310  9.1747  42.570  9.5320  7.739918       13.23003  
1 1 1 1   18  29 o 31.328  1.1501  532.089    39.024   709.626    53.928   336.930    56.542   36.170  1.3766  24.806  2.1250  11.36421       2.531923  
1 1 1 1   18  30 o 55.785  2.3951  1695.63    144.715  1465.98    328.310  1751.01    161.223  50.709  6.1001  56.653  2.6274  -5.944504      6.641841  
1 1 1 1   18  31 o 24.044  2.1336  317.412    54.985   307.653    55.837   629.769    315.902  23.657  2.2045  31.923  8.8361  -8.265478      9.106928  
1 1 1 1   18  32 o 29.165  1.2259  461.764    38.723   27.349     278.566  470.324    39.103   18.150  7.8173  29.434  1.2266  -11.28440      7.912928  
1 1 1 1   18  33 o 31.039  2.0429  529.027    68.295   523.546    69.777   654.014    333.210  30.865  2.0998  31.197  9.2200  -0.3321953     9.456122  
1 1 1 1   18  34 o 43.410  5.9201  1146.23    271.092  921.646    415.799  1312.29    357.529  34.933  10.292  44.990  7.6083  -10.05698      12.79930  
1 1 1 1   18  35 o 20.450  2.6829  236.185    57.990   590.799    377.849  227.631    58.685   27.593  9.9199  20.041  2.7783  7.552105       10.30163  
1 1 1 1   18  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   19  0  o 179.904 3.5376  17533.70   689.317  17554.24   974.907  17513.17   974.774  179.977 5.0012  179.766 5.0064  0.2108002      7.076453  
1 1 1 1   19  1  o 372.424 7.3583  75231.65   2968.14  76933.80   3635.22  71827.38   5140.95  376.474 8.9151  363.283 13.066  13.19086       15.81731  
1 1 1 1   19  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   19  3  o 502.513 16.919  138064.00  9208.32  138064.00  9208.32  0.0000     0.0000   502.513 16.919  ?       ?       0.000000       16.91856  
1 1 1 1   19  4  o 115.542 2.7782  7231.58    347.678  7388.40    491.843  7074.96    491.540  116.773 3.8888  114.268 3.9716  2.505074       5.558442  
1 1 1 1   19  5  o 310.352 5.4240  52210.19   1823.24  52968.30   2578.69  51452.35   2578.22  312.454 7.6198  307.942 7.7300  4.511963       10.85423  
1 1 1 1   19  6  o 135.156 3.0016  9894.98    439.401  9456.22    621.814  10332.60   621.000  132.109 4.3457  138.098 4.1518  -5.989151      6.010177  
1 1 1 1   19  7  o 377.965 7.4528  77450.23   3050.99  78885.46   5284.79  76732.74   3736.58  381.042 12.805  376.104 9.1727  4.937927       15.75150  
1 1 1 1   19  8  o 611.825 16.602  203614.70  11001.88 186996.59  20334.05 210493.09  13082.12 581.888 32.392  621.567 19.432  -39.67920      37.77372  
1 1 1 1   19  9  o 573.943 9.4704  178634.00  5887.18  155950.00  11773.36 186197.09  6798.13  534.967 20.319  585.857 10.713  -50.88971      22.97043  
1 1 1 1   19  10 o 676.051 12.852  248165.00  9410.58  235460.20  16298.81 254518.30  11525.84 656.642 22.917  684.233 15.552  -27.59100      27.69596  
1 1 1 1   19  11 o 374.329 7.3288  75954.09   2971.35  0.0000     0.0000   75954.09   2971.35  ?       ?       374.329 7.3288  0.000000       7.328755  
1 1 1 1   19  12 o 311.539 7.1719  52614.25   2420.03  63452.98   5594.17  50118.89   2684.19  341.536 15.123  304.017 8.1516  37.51834       17.17978  
1 1 1 1   19  13 o 481.865 9.3272  126004.40  4867.94  124685.60  8431.82  126663.70  5961.87  478.333 16.275  482.879 11.399  -4.546692      19.87001  
1 1 1 1   19  14 o 179.417 6.5299  17455.45   1268.95  17881.68   1794.56  17029.22   1794.56  181.250 9.1712  176.842 9.4030  4.407806       13.13492  
1 1 1 1   19  15 o 265.460 5.4912  38206.88   1578.84  39667.44   2736.01  37477.70   1933.19  270.189 9.3493  262.834 6.7908  7.355377       11.55531  
1 1 1 1   19  16 o 243.064 4.4688  32026.43   1176.47  32213.39   1663.28  31839.24   1664.27  243.655 6.3026  242.233 6.3434  1.422180       8.942120  
1 1 1 1   19  17 o 370.076 6.3559  74344.84   2547.65  74266.94   3602.46  74422.77   3603.38  369.443 9.0029  369.832 8.9957  -0.3887634     12.72694  
1 1 1 1   19  18 o 277.646 4.9349  41817.71   1484.03  39950.53   2097.72  43688.52   2099.75  271.126 7.1434  283.569 6.8366  -12.44266      9.887748  
1 1 1 1   19  19 o 43.809  3.7304  1048.06    175.321  1316.62    244.957  766.000    251.036  49.044  4.6677  37.009  6.4998  12.03463       8.002200  
1 1 1 1   19  20 o 181.142 4.1286  17796.71   810.018  18457.53   1145.15  17134.99   1145.93  184.344 5.7354  177.597 5.9573  6.747665       8.269496  
1 1 1 1   19  21 o 183.153 3.7638  18192.67   746.643  18571.61   1003.99  17723.76   1116.83  184.947 5.0120  180.607 5.7093  4.339935       7.597116  
1 1 1 1   19  22 o 57.383  3.4200  1792.09    211.593  1834.72    301.581  1750.76    296.949  57.921  4.8520  56.566  4.8951  1.355072       6.892294  
1 1 1 1   19  23 o 282.192 5.2241  43306.71   1596.70  45793.00   2109.45  39971.11   2443.32  289.781 6.7209  270.227 8.3480  19.55402       10.71724  
1 1 1 1   19  24 o 289.853 5.1349  45751.07   1612.05  45661.39   2279.96  45840.72   2279.61  288.760 7.2898  289.334 7.2743  -0.5733643     10.29841  
1 1 1 1   19  25 o 154.122 3.3954  12908.38   566.799  12511.36   802.093  13304.38   801.058  151.453 4.8896  156.214 4.7345  -4.760895      6.806163  
1 1 1 1   19  26 o 71.644  3.2311  2792.12    250.724  3567.57    369.833  2132.62    341.067  80.745  4.2437  62.205  5.1074  18.54021       6.640341  
1 1 1 1   19  27 o 129.253 4.6608  9156.00    652.490  9002.37    937.930  9300.07    908.305  127.129 6.8368  129.554 6.4731  -2.424652      9.415030  
1 1 1 1   19  28 o 50.880  6.0942  1456.92    329.157  1093.50    491.895  1751.59    442.940  42.484  10.697  55.321  7.5926  -12.83701      13.11750  
1 1 1 1   19  29 o 57.149  1.9838  1774.70    122.795  1732.57    172.568  1817.91    174.769  56.297  2.8392  57.745  2.7943  -1.447689      3.983671  
1 1 1 1   19  30 o 30.500  6.6375  546.285    213.038  502.378    286.526  600.565    318.579  28.975  8.5460  31.470  8.9316  -2.495173      12.36150  
1 1 1 1   19  31 o 9.5833  2.5708  51.895     27.236   71.798     234.500  51.623     27.422   17.813  7.3939  9.5620  2.5856  8.250525       7.832910  
1 1 1 1   19  32 o 46.012  4.7760  1200.81    234.548  1356.61    318.772  1016.90    346.343  48.198  6.2537  40.616  8.1563  7.582199       10.27788  
1 1 1 1   19  33 o 53.193  1.5088  1540.64    86.926   1391.71    121.744  1695.54    124.155  50.395  2.2305  55.673  2.0590  -5.278107      3.035513  
1 1 1 1   19  34 o 12.931  6.1350  -210.0123  231.344  -360.8783  345.751  -87.7180   311.294  14.952  7.2020  16.623  7.6235  -1.670973      10.48741  
1 1 1 1   19  35 o 22.919  10.370  212.848    551.913  0.0000     0.0000   212.848    551.913  ?       ?       22.919  10.370  0.000000       10.37031  
1 1 1 1   19  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   20  0  f 458.584 10.877  114318.00  5402.70  120252.50  7640.97  108384.70  7640.17  469.535 15.025  445.589 15.831  23.94681       21.82558  
1 1 1 1   20  1  o 238.347 4.3324  30783.86   1118.44  31186.69   1581.87  30381.20   1581.55  239.831 6.0897  236.710 6.1687  3.121140       8.668214  
1 1 1 1   20  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   20  3  o 274.699 4.8697  40899.04   1448.88  40419.68   2049.02  41378.41   2049.04  272.969 6.9305  276.193 6.8496  -3.223694      9.744166  
1 1 1 1   20  4  o 237.513 4.3555  30569.66   1120.47  30253.96   1584.60  30885.34   1584.56  236.207 6.1938  238.663 6.1299  -2.455170      8.714283  
1 1 1 1   20  5  f 439.333 8.5438  104750.70  4065.50  108895.60  4979.32  96462.27   7041.28  447.729 10.268  420.575 15.457  27.15417       18.55707  
1 1 1 1   20  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   20  7  o 762.231 25.293  318297.50  20881.25 318297.50  20881.25 0.0000     0.0000   762.231 25.293  ?       ?       0.000000       25.29296  
1 1 1 1   20  8  o 329.630 5.7125  58872.46   2039.49  57294.52   4078.81  59398.50   2355.03  324.929 11.590  331.073 6.5676  -6.144165      13.32125  
1 1 1 1   20  9  o 481.740 8.0244  125802.50  4186.92  118697.30  8373.23  128171.30  4834.75  467.198 16.547  486.181 9.1813  -18.98312      18.92362  
1 1 1 1   20  10 o 501.595 8.9830  136431.20  4880.26  136642.80  9027.30  136343.80  5801.05  501.193 16.630  501.299 10.684  -0.1069336     19.76603  
1 1 1 1   20  11 o 493.651 10.559  132231.59  5645.71  0.0000     0.0000   132231.59  5645.71  ?       ?       493.651 10.559  0.000000       10.55913  
1 1 1 1   20  12 o 635.695 13.616  219659.00  9375.04  223896.50  22675.55 218785.41  10296.24 635.256 33.071  634.180 14.990  1.075256       36.30924  
1 1 1 1   20  13 o 551.090 9.1320  164808.20  5450.79  170977.59  10901.78 162751.80  6294.00  559.658 17.985  547.444 10.615  12.21393       20.88368  
1 1 1 1   20  14 o 152.731 3.8535  12638.56   637.459  13171.94   1101.00  12369.59   781.831  155.853 6.5223  151.078 4.7779  4.774612       8.085140  
1 1 1 1   20  15 o 140.000 3.7373  10620.37   566.712  10619.90   951.497  10620.63   705.496  139.926 6.2782  139.980 4.6533  -0.5433655E-01 7.814676  
1 1 1 1   20  16 o 47.637  1.9292  1229.16    99.539   1257.34    109.258  1091.58    241.415  48.179  2.0938  44.578  5.0914  3.601131       5.505082  
1 1 1 1   20  17 f 185.165 3.9109  18584.70   784.345  19126.00   1174.60  18149.11   1053.69  187.741 5.7764  182.911 5.3186  4.829712       7.852087  
1 1 1 1   20  18 o 254.864 4.6374  35230.32   1280.13  35549.68   1809.87  34910.61   1810.90  255.826 6.5318  253.509 6.5953  2.317352       9.282321  
1 1 1 1   20  19 o 62.370  3.1007  2108.25    209.463  2271.84    293.560  1938.59    298.965  64.586  4.2197  59.596  4.6689  4.989277       6.293239  
1 1 1 1   20  20 o 44.759  3.8409  1094.37    184.400  1270.90    256.878  906.683    264.866  48.131  5.0005  40.376  6.2593  7.755630       8.011487  
1 1 1 1   20  21 o 121.150 3.0614  7956.30    401.713  8210.09    568.555  7703.31    567.661  123.011 4.2674  119.146 4.3988  3.864044       6.128631  
1 1 1 1   20  22 o 40.532  4.2426  901.349    183.492  1072.81    262.260  736.925    256.819  44.070  5.6225  36.204  6.7991  7.865723       8.822710  
1 1 1 1   20  23 o 171.807 3.7032  16020.02   689.110  16707.06   934.048  15199.40   1020.82  175.307 4.9193  167.110 5.6400  8.197159       7.483863  
1 1 1 1   20  24 o 167.683 3.5142  15267.98   638.240  16389.91   904.098  14153.41   901.126  173.531 4.8102  161.197 5.1613  12.33476       7.055316  
1 1 1 1   20  25 o 124.807 3.1398  8461.42    424.438  8452.50    601.107  8470.28    599.388  124.549 4.4560  124.683 4.4384  -0.1338654     6.289305  
1 1 1 1   20  26 o 144.692 5.0739  11465.57   795.157  12014.50   1194.14  11028.28   1065.81  146.957 7.5275  141.210 6.9686  5.747101       10.25794  
1 1 1 1   20  27 o 147.939 4.8532  12008.69   777.650  12015.64   1108.40  12001.94   1091.32  146.972 6.9629  146.947 6.8568  0.2499390E-01  9.772315  
1 1 1 1   20  28 o 23.541  7.2545  312.589    203.267  480.071    273.905  107.292    303.255  28.722  8.3228  20.753  8.4897  7.969265       11.88881  
1 1 1 1   20  29 o 46.069  2.4110  1158.28    119.886  1087.73    128.074  1657.69    340.758  44.601  2.6634  54.224  5.8972  -9.622337      6.470730  
1 1 1 1   20  30 o 86.384  2.8294  4076.95    264.730  3817.43    425.503  4240.84    338.145  82.799  4.7648  87.882  3.5525  -5.082420      5.943344  
1 1 1 1   20  31 o 84.698  3.4413  3947.92    315.698  3565.09    443.545  4340.99    449.443  79.541  5.1766  88.079  4.7285  -8.537575      7.011175  
1 1 1 1   20  32 o 22.188  1.6828  269.406    40.141   176.587    285.895  271.272    40.543   20.904  8.3537  22.264  1.6940  -1.359856      8.523714  
1 1 1 1   20  33 o 39.370  2.3548  853.730    99.955   830.478    104.429  1107.78    345.183  38.788  2.4991  41.694  7.9336  -2.906261      8.317926  
1 1 1 1   20  34 o 53.525  11.393  2216.05    640.214  0.0000     0.0000   2216.05    640.214  ?       ?       53.525  11.393  0.000000       11.39288  
1 1 1 1   20  35 o 29.521  11.793  797.675    569.516  0.0000     0.0000   797.675    569.516  ?       ?       29.521  11.793  0.000000       11.79275  
1 1 1 1   20  36 o 20.847  10.111  -157.2290  711.563  0.0000     0.0000   -157.2290  711.563  ?       ?       20.847  10.111  0.000000       10.11146  
1 1 1 1   21  0  o 129.200 2.9049  9042.45    406.497  9299.05    575.231  8786.49    574.517  131.003 4.0541  127.339 4.1655  3.663483       5.812676  
1 1 1 1   21  1  o 277.995 4.9532  41886.34   1491.40  42927.69   2109.35  40845.40   2108.95  281.318 6.9228  274.399 7.0960  6.918945       9.913532  
1 1 1 1   21  2  o 153.763 3.2342  12808.64   538.625  12803.30   761.414  12813.98   762.049  153.704 4.5737  153.768 4.5756  -0.6405640E-01 6.469528  
1 1 1 1   21  3  o 168.225 3.4226  15331.80   623.609  15454.62   882.038  15209.04   881.794  168.865 4.8226  167.517 4.8600  1.348099       6.846666  
1 1 1 1   21  4  o 35.382  2.3555  681.072    89.753   620.806    127.016  741.174    126.843  33.666  3.5362  36.849  3.2102  -3.183060      4.775983  
1 1 1 1   21  5  o 241.948 4.4057  31718.20   1154.54  32769.12   1633.13  30668.22   1632.40  245.865 6.1327  237.845 6.3367  8.020020       8.818391  
1 1 1 1   21  6  f 224.275 4.1574  27249.41   1009.89  27493.48   1428.49  27005.55   1427.90  225.237 5.8556  223.228 5.9058  2.009003       8.316628  
1 1 1 1   21  7  o 176.855 3.4984  16941.98   670.135  17680.44   948.549  16206.11   946.880  180.651 4.8478  172.952 5.0547  7.698944       7.003712  
1 1 1 1   21  8  o 186.001 3.5536  18739.31   715.902  18434.77   1431.95  18840.79   826.625  184.430 7.1685  186.498 4.0923  -2.068420      8.254293  
1 1 1 1   21  9  o 310.630 5.4067  52278.32   1819.07  50623.40   3637.51  52830.22   2100.60  305.460 10.995  312.243 6.2113  -6.782898      12.62779  
1 1 1 1   21  10 o 143.114 3.1075  11093.57   481.686  11666.51   972.782  10907.47   554.427  146.729 6.1211  141.904 3.6073  4.825043       7.104932  
1 1 1 1   21  11 o 246.208 5.1961  32844.07   1385.64  0.0000     0.0000   32844.07   1385.64  ?       ?       246.208 5.1961  0.000000       5.196116  
1 1 1 1   21  12 f 779.570 14.826  330613.59  12518.27 324627.31  21682.40 333606.81  15331.64 768.863 26.037  782.225 18.096  -13.36163      31.70786  
1 1 1 1   21  13 o 131.854 3.0491  9417.39    435.440  10534.42   880.698  9055.97    500.955  139.410 5.8326  129.293 3.5773  10.11699       6.842238  
1 1 1 1   21  14 o 181.772 4.2117  17903.88   829.195  17587.30   1433.27  18063.15   1016.60  180.052 7.3495  182.553 5.1415  -2.501511      8.969428  
1 1 1 1   21  15 o 227.157 5.3716  27977.62   1321.60  28885.97   2895.12  27738.51   1485.40  230.016 11.659  226.147 6.0643  3.868408       13.14186  
1 1 1 1   21  16 o 97.351  3.1427  5135.04    331.371  5430.18    612.345  5012.82    394.056  99.890  5.6833  96.174  3.7829  3.715935       6.827190  
1 1 1 1   21  17 o 146.006 3.7421  11554.48   591.767  11960.55   1028.29  11353.40   723.598  148.428 6.3963  144.698 4.6171  3.730377       7.888594  
1 1 1 1   21  18 o 305.978 5.3656  50805.94   1778.19  51333.41   2513.57  50277.50   2515.91  307.253 7.5531  304.062 7.6395  3.190674       10.74294  
1 1 1 1   21  19 o 260.247 5.5466  36769.93   1563.43  36434.11   2209.98  37106.39   2212.07  258.727 7.8864  261.113 7.8217  -2.386780      11.10736  
1 1 1 1   21  20 o 208.896 4.2706  23671.27   966.260  22330.67   1287.13  25402.37   1462.63  202.746 5.8614  216.196 6.2462  -13.44954      8.565684  
1 1 1 1   21  21 o 77.095  3.0304  3221.90    253.040  3134.67    356.397  3310.58    359.327  75.880  4.3547  77.995  4.2698  -2.114738      6.098710  
1 1 1 1   21  22 o 169.863 3.7018  15652.59   681.051  15798.45   1009.78  15530.88   922.438  170.479 5.4687  169.077 5.0371  1.401794       7.435007  
1 1 1 1   21  23 o 183.830 4.1054  18350.99   817.406  18674.61   1160.12  18031.95   1151.89  185.195 5.7837  181.970 5.8444  3.224930       8.222451  
1 1 1 1   21  24 o 159.525 3.4820  13819.27   601.624  14139.61   856.130  13506.76   845.618  161.148 4.9051  157.491 4.9573  3.656631       6.973865  
1 1 1 1   21  25 o 83.278  3.5363  3770.85    318.967  3473.69    390.938  4362.59    551.664  79.698  4.5477  89.104  5.7469  -9.405380      7.328573  
1 1 1 1   21  26 o 71.561  3.1569  2785.70    244.688  2926.27    277.068  2287.53    521.586  73.309  3.4895  63.722  7.7145  9.586735       8.466972  
1 1 1 1   21  27 o 113.863 3.1192  7059.86    384.677  7795.18    548.921  6350.24    539.241  119.367 4.2457  107.636 4.6255  11.73134       6.278633  
1 1 1 1   21  28 o 56.409  3.9802  1751.33    241.617  1837.84    327.985  1648.68    357.289  57.435  5.3332  54.102  6.2098  3.333530       8.185702  
1 1 1 1   21  29 o 106.305 3.0603  6170.38    352.363  5813.98    468.695  6633.67    534.372  102.815 4.2088  109.705 4.4973  -6.889656      6.159514  
1 1 1 1   21  30 o 34.167  6.0471  675.188    215.594  667.450    291.236  684.570    320.676  33.272  8.1468  33.530  8.7407  -0.2576675     11.94866  
1 1 1 1   21  31 o 47.554  5.7193  1295.40    288.665  865.084    502.726  1507.06    352.583  36.337  11.444  50.930  6.5430  -14.59314      13.18224  
1 1 1 1   21  32 o 37.731  7.0228  856.549    276.433  154.993    488.796  1186.44    335.183  24.277  10.404  44.445  7.2099  -20.16802      12.65775  
1 1 1 1   21  33 o 47.292  2.1790  1225.71    111.615  857.548    509.494  1244.27    114.394  33.642  11.565  47.639  2.2170  -13.99671      11.77562  
1 1 1 1   21  34 o 24.667  10.128  379.189    433.576  0.0000     0.0000   379.189    433.576  ?       ?       24.667  10.128  0.000000       10.12798  
1 1 1 1   21  35 o 19.853  9.1746  -4.7392    463.187  0.0000     0.0000   -4.7392    463.187  ?       ?       19.853  9.1746  0.000000       9.174598  
1 1 1 1   21  36 o 21.231  10.243  -65.6089   706.501  0.0000     0.0000   -65.6089   706.501  ?       ?       21.231  10.243  0.000000       10.24350  
1 1 1 1   22  0  o 269.162 4.7779  39265.04   1392.89  41471.40   1970.22  37060.35   1969.47  276.524 6.5783  261.382 6.9567  15.14224       9.574428  
1 1 1 1   22  1  o 131.782 2.9427  9407.64    420.020  9470.53    594.057  9344.76    593.940  132.203 4.1488  131.321 4.1758  0.8812714      5.886359  
1 1 1 1   22  2  o 245.695 4.4379  32712.69   1180.98  33172.42   1670.25  32253.05   1670.08  247.336 6.2348  243.880 6.3225  3.455994       8.879597  
1 1 1 1   22  3  o 408.232 6.9041  90388.59   3052.71  90510.25   4317.29  90266.94   4317.06  408.196 9.7650  407.645 9.7777  0.5506287      13.81876  
1 1 1 1   22  4  o 183.534 3.6066  18248.79   716.945  18240.70   1014.16  18256.87   1013.67  183.459 5.1038  183.541 5.0991  -0.8142090E-01 7.214553  
1 1 1 1   22  5  o 213.322 4.0141  24653.41   927.462  24742.24   1311.80  24564.63   1311.45  213.666 5.6684  212.898 5.6874  0.7687836      8.029781  
1 1 1 1   22  6  f 540.741 12.747  158833.41  7465.94  158833.41  7465.94  0.0000     0.0000   540.741 12.747  ?       ?       0.000000       12.74749  
1 1 1 1   22  7  o 465.528 8.9920  117512.90  4533.89  117583.20  5553.13  117372.50  7852.17  465.519 11.014  464.655 15.602  0.8637390      19.09794  
1 1 1 1   22  8  o 337.852 8.2546  61877.45   3020.59  58843.70   4271.70  64911.36   4271.82  329.282 11.977  345.877 11.403  -16.59491      16.53748  
1 1 1 1   22  9  o 535.121 9.6026  155297.41  5565.56  150663.00  15903.12 155944.20  5941.28  523.518 28.150  536.182 10.231  -12.66437      29.95137  
1 1 1 1   22  10 o 211.371 4.5473  24203.56   1041.05  23449.74   2485.54  24363.94   1146.46  207.581 11.095  212.062 4.9914  -4.481079      12.16634  
1 1 1 1   22  11 o 193.756 4.6698  20338.80   979.989  0.0000     0.0000   20338.80   979.989  ?       ?       193.756 4.6698  0.000000       4.669776  
1 1 1 1   22  12 o 88.407  3.2531  4233.59    311.497  4699.87    554.157  4018.21    376.630  92.964  5.5285  86.123  4.0376  6.840530       6.845960  
1 1 1 1   22  13 o 340.717 6.3274  62935.98   2335.01  67545.23   4341.16  61059.62   2769.80  352.549 11.369  335.518 7.6219  17.03082       13.68735  
1 1 1 1   22  14 o 517.958 10.008  145780.59  5614.36  141587.41  9721.96  147878.80  6877.00  508.643 17.647  521.248 12.181  -12.60416      21.44280  
1 1 1 1   22  15 o 66.879  3.4466  2429.95    248.814  2499.02    438.530  2397.15    302.158  67.608  6.0527  66.372  4.2252  1.236076       7.381588  
1 1 1 1   22  16 o 322.450 5.5876  56400.96   1951.45  52604.88   3901.24  57667.77   2253.67  310.559 11.598  325.969 6.3833  -15.40985      13.23870  
1 1 1 1   22  17 o 224.170 4.3853  27246.63   1064.76  28556.72   2001.08  26729.22   1257.56  229.173 8.0618  221.976 5.2306  7.196640       9.610006  
1 1 1 1   22  18 o 198.468 4.8190  21367.42   1035.89  20904.38   1664.79  21659.97   1323.26  196.035 7.8407  199.720 6.1172  -3.684631      9.944719  
1 1 1 1   22  19 o 220.998 4.8206  26499.77   1153.88  26961.09   2000.40  26269.74   1412.57  222.498 8.3008  219.929 5.9300  2.568619       10.20141  
1 1 1 1   22  20 o 337.492 7.4794  62000.30   2734.03  60885.73   6348.33  62254.10   3029.36  330.081 17.823  337.988 8.2752  -7.907623      19.65043  
1 1 1 1   22  21 o 118.222 3.5822  7579.45    458.685  7482.58    800.029  7626.88    559.835  117.123 6.3300  118.552 4.3600  -1.428391      7.686262  
1 1 1 1   22  22 o 158.264 3.3993  13584.60   582.688  13268.56   824.522  13899.92   823.569  156.290 4.8708  159.977 4.7531  -3.686783      6.805610  
1 1 1 1   22  23 o 37.694  1.1982  769.630    48.919   733.620    83.534   788.425    60.349   36.732  2.1085  38.149  1.4606  -1.417332      2.564975  
1 1 1 1   22  24 o 225.790 4.4906  27739.18   1098.20  27362.03   1665.13  28029.53   1461.00  223.545 6.8772  226.566 5.9537  -3.021011      9.096260  
1 1 1 1   22  25 o 212.553 6.5677  24816.99   1512.01  24269.22   2529.99  25121.34   1885.84  207.063 11.324  213.029 8.1733  -5.966461      13.96537  
1 1 1 1   22  26 o 183.398 5.3451  18453.50   1061.74  19624.88   1508.07  17302.23   1495.08  188.014 7.4056  176.283 7.8304  11.73112       10.77766  
1 1 1 1   22  27 o 19.247  6.5324  191.804    162.482  439.763    212.580  -156.5898  251.980  27.585  7.0796  15.113  6.9040  12.47129       9.888650  
1 1 1 1   22  28 o 88.963  3.8587  4333.05    371.808  4405.40    643.215  4296.75    455.645  88.484  6.7627  88.210  4.7871  0.2744217      8.285545  
1 1 1 1   22  29 o 33.631  2.1031  617.322    76.222   605.111    78.455   822.708    321.756  33.284  2.1885  37.216  8.2031  -3.932186      8.490048  
1 1 1 1   22  30 o 38.309  6.7153  855.959    268.479  1102.68    473.214  738.846    326.033  41.840  10.468  34.835  8.6743  7.004997       13.59502  
1 1 1 1   22  31 o 14.364  6.6595  -178.5069  246.954  90.196     434.821  -306.4486  300.041  22.893  9.8116  14.818  7.0175  8.075676       12.06285  
1 1 1 1   22  32 o 41.457  5.9787  1004.95    260.696  727.062    503.946  1106.48    304.622  32.973  11.492  43.127  6.7422  -10.15368      13.32408  
1 1 1 1   22  33 o 44.997  5.6179  1199.66    267.828  861.508    519.241  1322.23    312.625  33.476  11.666  46.743  6.3385  -13.26720      13.27638  
1 1 1 1   22  34 o 34.891  10.642  947.192    438.742  0.0000     0.0000   947.192    438.742  ?       ?       34.891  10.642  0.000000       10.64174  
1 1 1 1   22  35 o 21.309  9.5903  150.332    464.726  0.0000     0.0000   150.332    464.726  ?       ?       21.309  9.5903  0.000000       9.590333  
1 1 1 1   22  36 o 22.881  10.826  221.732    710.826  0.0000     0.0000   221.732    710.826  ?       ?       22.881  10.826  0.000000       10.82586  
1 1 1 1   23  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   23  1  o 389.814 6.6159  82409.09   2793.30  85593.07   3950.61  79226.04   3950.03  397.009 9.1874  381.916 9.5491  15.09372       13.25118  
1 1 1 1   23  2  o 516.611 12.281  145219.59  6871.51  137280.80  9718.24  153157.00  9717.32  500.959 17.911  529.411 16.947  -28.45245      24.65735  
1 1 1 1   23  3  f 328.706 5.7182  58568.66   2035.81  59159.26   2879.12  57978.11   2879.01  330.206 8.0502  326.886 8.1316  3.319244       11.44240  
1 1 1 1   23  4  o 201.401 3.8641  21974.81   842.913  21807.25   1192.26  22142.25   1191.86  200.593 5.4876  202.129 5.4441  -1.536057      7.729953  
1 1 1 1   23  5  o 595.436 13.994  192783.91  9024.96  186378.41  12763.36 199189.09  12763.08 584.188 20.172  604.096 19.507  -19.90741      28.06066  
1 1 1 1   23  6  o 549.074 10.547  163579.09  6272.21  159395.00  7681.83  171947.50  10863.88 541.728 13.092  561.949 17.849  -20.22101      22.13593  
1 1 1 1   23  7  o 770.841 25.526  324943.31  21311.95 324943.31  21311.95 0.0000     0.0000   770.841 25.526  ?       ?       0.000000       25.52630  
1 1 1 1   23  8  o 518.274 9.9818  145680.80  5603.22  142065.70  9705.20  147488.20  6862.47  511.013 17.535  521.292 12.154  -10.27881      21.33535  
1 1 1 1   23  9  o 280.350 5.2536  42582.50   1595.25  39017.55   4302.41  43150.72   1717.69  267.538 14.907  282.206 5.6196  -14.66830      15.93092  
1 1 1 1   23  10 o 496.086 8.9319  133457.20  4799.24  132630.59  13660.45 133573.50  5126.00  491.473 25.752  496.255 9.5368  -4.782471      27.46106  
1 1 1 1   23  11 o 122.686 4.1396  8154.02    550.082  0.0000     0.0000   8154.02    550.082  ?       ?       122.686 4.1396  0.000000       4.139631  
1 1 1 1   23  12 o 310.679 5.4296  52305.86   1827.06  53349.45   3655.97  51958.47   2109.35  313.460 10.768  309.611 6.2902  3.849396       12.47093  
1 1 1 1   23  13 o 270.644 4.8068  39693.53   1409.05  39910.33   2820.07  39621.39   1626.64  271.117 9.6036  270.368 5.5548  0.7488403      11.09434  
1 1 1 1   23  14 o 582.161 12.490  184547.00  7875.33  185030.50  18984.91 184446.50  8655.12  574.372 30.628  581.669 13.738  -7.297119      33.56781  
1 1 1 1   23  15 o 341.812 6.8384  63404.52   2531.68  64718.77   4385.55  62747.64   3100.47  344.637 11.749  339.854 8.4230  4.782776       14.45615  
1 1 1 1   23  16 o 322.487 6.1307  56435.49   2141.36  60553.34   5876.67  55805.03   2299.45  331.979 16.344  320.626 6.6215  11.35370       17.63407  
1 1 1 1   23  17 o 268.765 4.8748  39177.72   1419.05  42046.37   2835.88  38219.50   1639.01  277.859 9.4231  265.384 5.7021  12.47470       11.01402  
1 1 1 1   23  18 o 52.054  3.5484  1475.57    198.866  1697.62    390.027  1397.56    231.173  55.510  6.6176  50.588  4.2587  4.921875       7.869535  
1 1 1 1   23  19 o 251.872 4.9717  34426.02   1356.29  36645.32   3569.44  34051.53   1466.26  258.396 12.754  250.452 5.4053  7.944458       13.85205  
1 1 1 1   23  20 o 98.487  3.0367  5257.39    323.930  5113.72    646.097  5305.63    374.383  96.806  6.1946  98.924  3.4942  -2.118713      7.112089  
1 1 1 1   23  21 o 297.671 7.4427  48278.67   2399.60  44067.15   4868.92  49629.79   2757.79  280.871 16.072  301.546 8.4438  -20.67471      18.15483  
1 1 1 1   23  22 o 96.683  3.5105  5070.44    367.609  4838.96    646.975  5180.80    446.728  94.059  6.3885  97.694  4.2219  -3.634262      7.657483  
1 1 1 1   23  23 o 40.271  1.7676  878.718    77.099   449.702    392.904  895.899    78.628   29.734  10.158  40.662  1.7853  -10.92769      10.31348  
1 1 1 1   23  24 f 143.358 4.6737  11188.92   725.703  11214.47   1026.94  11163.43   1025.66  143.141 6.6239  142.813 6.6307  0.3277283      9.372434  
1 1 1 1   23  25 o 137.471 4.5892  10308.59   683.308  10865.43   968.538  9756.78    964.164  140.672 6.3568  133.036 6.7130  7.635300       9.245162  
1 1 1 1   23  26 o 158.766 4.0053  13753.30   688.754  15740.65   1209.70  12800.03   837.810  168.764 6.6180  152.825 5.0615  15.93916       8.331679  
1 1 1 1   23  27 o 60.464  4.2021  2009.65    273.480  2274.50    516.251  1906.33    322.440  63.308  7.6865  58.668  5.1258  4.640057       9.238831  
1 1 1 1   23  28 o 27.397  8.0197  435.239    253.167  610.859    441.260  349.062    309.102  32.546  10.761  25.735  8.9988  6.810814       14.02804  
1 1 1 1   23  29 o 67.963  2.8323  2519.82    208.488  2357.80    265.848  2778.66    336.018  65.454  3.7658  70.875  4.3990  -5.420349      5.790720  
1 1 1 1   23  30 o 43.158  5.5244  1058.98    252.311  1081.64    489.649  1050.79    294.405  41.242  10.825  42.575  6.5979  -1.332909      12.67712  
1 1 1 1   23  31 o 17.010  7.2598  26.825     236.285  141.657    447.073  -17.6828   278.334  23.789  10.063  17.571  7.6879  6.217783       12.66371  
1 1 1 1   23  32 o 70.713  2.9103  2748.84    222.899  2676.01    285.712  2862.09    356.302  69.300  3.8212  71.205  4.6454  -1.905045      6.015104  
1 1 1 1   23  33 o 15.736  7.0466  -39.7084   247.449  -146.8808  474.065  0.4265     290.106  19.849  9.2110  17.472  7.7384  2.376600       12.03016  
1 1 1 1   23  34 o 29.782  10.582  687.941    428.780  0.0000     0.0000   687.941    428.780  ?       ?       29.782  10.582  0.000000       10.58207  
1 1 1 1   23  35 o 16.705  8.0063  -285.1848  415.292  0.0000     0.0000   -285.1848  415.292  ?       ?       16.705  8.0063  0.000000       8.006346  
1 1 1 1   23  36 o 29.610  13.242  1214.27    870.753  0.0000     0.0000   1214.27    870.753  ?       ?       29.610  13.242  0.000000       13.24164  
1 1 1 1   24  0  o 574.177 13.566  179540.91  8436.63  179540.91  8436.63  0.0000     0.0000   574.177 13.566  ?       ?       0.000000       13.56603  
1 1 1 1   24  1  o 472.416 9.1804  121166.50  4697.36  117902.20  8136.66  122798.30  5752.86  464.783 16.163  475.298 11.175  -10.51559      19.65014  
1 1 1 1   24  2  o 567.626 19.005  176281.00  11684.21 0.0000     0.0000   176281.00  11684.21 ?       ?       567.626 19.005  0.000000       19.00496  
1 1 1 1   24  3  o 593.762 19.839  192855.30  12758.27 192855.30  12758.27 0.0000     0.0000   593.762 19.839  ?       ?       0.000000       19.83853  
1 1 1 1   24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   24  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   24  6  o 714.785 23.698  279143.09  18346.35 279143.09  18346.35 0.0000     0.0000   714.785 23.698  ?       ?       0.000000       23.69757  
1 1 1 1   24  7  o 341.723 5.8840  63271.74   2177.81  64109.09   3080.30  62434.84   3079.48  343.891 8.2699  339.366 8.3780  4.524689       11.77208  
1 1 1 1   24  8  o 432.691 7.2530  101470.50  3399.10  105136.80  4807.61  97805.83   4806.49  440.277 10.082  424.626 10.451  15.65121       14.52105  
1 1 1 1   24  9  o 484.540 8.7095  127299.40  4570.81  121512.70  12993.69 128116.60  4882.89  470.550 25.591  486.053 9.2752  -15.50314      27.22031  
1 1 1 1   24  10 o 411.890 8.0341  91979.19   3584.17  0.0000     0.0000   91979.19   3584.17  ?       ?       411.890 8.0341  0.000000       8.034093  
1 1 1 1   24  11 o 339.388 6.7748  62433.93   2490.38  63741.13   4315.63  61781.32   3049.31  342.624 11.629  337.531 8.3410  5.092560       14.31134  
1 1 1 1   24  12 o 403.621 7.4934  88340.34   3275.85  88679.73   6073.29  88201.09   3890.30  403.749 13.888  403.193 8.9084  0.5557861      16.49967  
1 1 1 1   24  13 o 204.882 4.1721  22744.25   925.818  22963.85   2337.77  22703.40   1008.25  205.316 10.548  204.688 4.5479  0.6282043      11.48683  
1 1 1 1   24  14 o 474.459 9.2243  122291.30  4740.26  125556.00  8209.32  120658.40  5805.99  479.303 15.813  470.897 11.384  8.405853       19.48467  
1 1 1 1   24  15 o 202.412 5.4375  22218.21   1192.07  22421.60   2320.79  22145.31   1389.37  202.674 10.609  202.030 6.3494  0.6447601      12.36396  
1 1 1 1   24  16 o 512.445 8.5685  142792.50  4755.81  147570.00  9510.45  141199.50  5491.76  517.885 16.955  509.216 9.9572  8.669250       19.66261  
1 1 1 1   24  17 o 281.773 5.0084  43067.48   1528.51  44942.46   3056.73  42442.33   1765.02  287.174 9.8274  279.640 5.8275  7.534393       11.42533  
1 1 1 1   24  18 o 95.520  2.9702  4944.40    307.293  4821.61    606.066  4986.89    356.518  94.043  5.9812  95.919  3.4317  -1.876083      6.895741  
1 1 1 1   24  19 o 254.118 4.5578  35032.09   1254.46  33959.22   2504.20  35391.52   1449.43  249.517 9.2661  255.346 5.2408  -5.829651      10.64555  
1 1 1 1   24  20 o 110.359 3.0586  6601.50    365.599  6389.77    729.726  6672.46    422.441  108.245 6.2508  110.935 3.5158  -2.690498      7.171706  
1 1 1 1   24  21 o 134.820 3.3483  9855.94    488.929  10582.23   957.425  9599.71    568.671  139.472 6.3379  133.023 3.9470  6.448456       7.466465  
1 1 1 1   24  22 o 50.296  4.2059  1382.81    227.019  1618.97    428.085  1290.41    267.774  53.959  7.5300  48.452  5.1830  5.507416       9.141315  
1 1 1 1   24  23 f 209.960 6.4972  24053.48   1477.52  24204.85   1847.39  23784.76   2461.38  210.179 8.1152  207.062 11.015  3.117126       13.68137  
1 1 1 1   24  24 o 148.792 4.7402  12057.47   763.915  10930.79   1080.22  13184.67   1080.46  141.006 7.0957  155.225 6.4265  -14.21906      9.573363  
1 1 1 1   24  25 o 137.914 3.2711  10339.73   488.619  9918.05    967.256  10484.21   566.169  134.275 6.6508  138.788 3.7664  -4.513199      7.643252  
1 1 1 1   24  26 o 89.318  3.2371  4342.07    313.163  4059.73    648.812  4427.83    357.572  85.289  7.0877  90.133  3.6628  -4.844025      7.978224  
1 1 1 1   24  27 f 66.365  2.7098  2395.61    194.783  3015.75    546.356  2305.31    208.482  73.267  6.9688  65.075  2.9579  8.192116       7.570604  
1 1 1 1   24  28 o 66.328  2.8682  2397.28    206.050  2449.90    550.391  2388.70    222.209  65.315  7.9437  66.175  3.1003  -0.8598633     8.527249  
1 1 1 1   24  29 o 53.667  2.1319  1566.37    123.923  1406.08    183.769  1700.04    167.822  50.578  3.3740  55.828  2.7754  -5.250450      4.368792  
1 1 1 1   24  30 f 84.588  3.0799  3917.63    282.174  3854.65    642.293  3932.69    314.110  81.575  7.3484  84.641  3.4264  -3.065590      8.107944  
1 1 1 1   24  31 o 38.457  5.5497  850.369    224.474  1228.74    488.862  749.277    252.687  43.640  10.475  35.554  6.8098  8.086456       12.49438  
1 1 1 1   24  32 o 35.125  0.8984  669.139    34.178   682.911    34.439   -226.3285  277.701  35.485  0.8961  14.719  6.9022  20.76549       6.960172  
1 1 1 1   24  33 o 17.236  7.3514  65.949     241.999  106.190    475.918  51.916     281.044  22.253  9.8809  17.963  7.7940  4.289835       12.58485  
1 1 1 1   24  34 o 23.769  1.6517  310.159    42.259   0.0000     0.0000   310.159    42.259   ?       ?       23.769  1.6517  0.000000       1.651729  
1 1 1 1   24  35 o 17.340  8.2209  -196.5475  413.950  0.0000     0.0000   -196.5475  413.950  ?       ?       17.340  8.2209  0.000000       8.220885  
1 1 1 1   24  36 o 24.240  11.562  367.441    844.166  0.0000     0.0000   367.441    844.166  ?       ?       24.240  11.562  0.000000       11.56200  
1 1 1 1   25  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   25  1  o 286.543 5.0581  44495.59   1569.82  45673.44   2220.38  43318.41   2219.74  290.216 7.0638  282.624 7.2514  7.591278       10.12323  
1 1 1 1   25  2  o 417.906 9.9522  94813.59   4504.71  100539.40  6371.27  89090.06   6369.98  429.868 13.684  404.530 14.538  25.33731       19.96557  
1 1 1 1   25  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   25  4  o 255.051 4.6033  35243.04   1271.65  34355.47   1798.50  36130.38   1798.26  251.765 6.5955  258.192 6.4304  -6.426941      9.211448  
1 1 1 1   25  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   25  6  o 585.365 11.181  185912.00  7088.84  190595.50  8682.24  176546.41  12277.60 592.435 13.531  569.275 19.912  23.16052       24.07447  
1 1 1 1   25  7  o 607.092 10.032  199888.59  6596.16  204622.20  9328.78  195155.80  9327.99  613.807 14.032  599.399 14.368  14.40808       20.08343  
1 1 1 1   25  8  o 569.098 10.863  175709.70  6695.71  188357.00  11598.51 169388.00  8200.11  588.268 18.204  558.487 13.556  29.78088       22.69670  
1 1 1 1   25  9  f 310.979 5.8405  52401.60   1967.23  53033.72   5387.13  52304.34   2113.16  311.881 16.002  310.677 6.2799  1.203857       17.18976  
1 1 1 1   25  10 o 138.040 3.6304  10321.80   542.785  0.0000     0.0000   10321.80   542.785  ?       ?       138.040 3.6304  0.000000       3.630372  
1 1 1 1   25  11 o 224.943 4.7896  27414.91   1166.93  29297.19   2027.74  26482.85   1426.90  232.439 8.0544  221.058 5.9596  11.38054       10.01949  
1 1 1 1   25  12 o 269.747 4.8042  39427.84   1403.61  40652.90   2810.23  39020.66   1620.18  273.680 9.4805  268.324 5.5748  5.355377       10.99809  
1 1 1 1   25  13 o 245.079 4.8070  32550.79   1276.01  36556.54   2392.45  30958.32   1508.47  259.524 8.5113  238.969 5.8281  20.55522       10.31546  
1 1 1 1   25  14 o 336.948 7.2998  61610.95   2664.05  62494.13   4170.91  61002.36   3462.33  338.861 11.364  335.037 9.5413  3.823975       14.83849  
1 1 1 1   25  15 o 371.999 7.2794  75133.23   2932.96  79231.47   5080.73  73084.95   3591.89  381.109 12.309  366.640 9.0451  14.46945       15.27461  
1 1 1 1   25  16 o 471.152 8.6226  120724.60  4400.17  126411.80  12482.22 119917.60  4702.01  474.633 24.363  469.426 9.2480  5.206970       26.05910  
1 1 1 1   25  17 o 295.285 5.2483  47306.65   1678.55  50319.72   3355.18  46300.77   1938.59  303.770 10.198  292.031 6.1289  11.73859       11.89775  
1 1 1 1   25  18 o 285.297 5.0888  44166.10   1572.47  41546.40   3143.41  45040.48   1816.04  275.819 10.522  288.020 5.8215  -12.20016      12.02520  
1 1 1 1   25  19 o 56.784  3.4098  1754.22    208.741  2107.31    420.230  1638.57    240.511  61.952  6.3525  54.816  4.0801  7.135643       7.549994  
1 1 1 1   25  20 f 150.344 3.4556  12255.04   562.710  12345.90   1258.71  12232.35   629.073  150.356 7.7556  150.184 3.8673  0.1721191      8.666375  
1 1 1 1   25  21 o 150.300 3.5037  12250.90   570.374  11465.49   1092.62  12545.10   668.721  145.102 6.9523  152.057 4.0604  -6.954575      8.051139  
1 1 1 1   25  22 o 241.741 4.8357  31751.90   1266.14  32514.82   3284.03  31618.70   1372.22  242.047 12.570  241.162 5.2535  0.8845367      13.62365  
1 1 1 1   25  23 o 272.384 7.8286  40635.98   2309.60  42565.23   2823.32  36733.25   4015.59  278.098 9.3733  255.083 14.595  23.01492       17.34570  
1 1 1 1   25  24 o 62.969  4.7974  2172.54    324.726  2087.93    461.710  2255.36    456.793  61.299  7.0847  63.819  6.7088  -2.520676      9.757145  
1 1 1 1   25  25 o 159.690 3.4626  13871.10   598.890  17137.40   1219.05  12831.97   687.586  176.572 6.3743  153.448 4.1371  23.12457       7.599132  
1 1 1 1   25  26 o 83.093  3.2561  3758.62    293.046  4758.85    615.102  3464.93    333.303  92.688  6.1622  79.697  3.8612  12.99078       7.271982  
1 1 1 1   25  27 o 114.682 3.1716  7166.30    393.954  7419.46    822.556  7090.94    448.773  115.342 6.6119  113.968 3.6356  1.373688       7.545487  
1 1 1 1   25  28 o 53.732  4.3663  1596.26    251.911  1288.13    507.903  1696.79    290.110  46.105  10.417  55.267  4.8972  -9.161915      11.51033  
1 1 1 1   25  29 o 39.739  2.1847  861.645    93.669   847.065    98.709   993.591    296.942  39.381  2.3245  41.442  6.8551  -2.061760      7.238473  
1 1 1 1   25  30 o 52.771  4.8085  1560.86    271.822  1066.90    516.891  1749.69    319.581  40.671  11.319  55.673  5.3664  -15.00123      12.52654  
1 1 1 1   25  31 o 34.355  6.8524  701.622    246.036  535.681    481.764  760.172    286.168  30.207  11.149  35.436  7.6779  -5.228088      13.53743  
1 1 1 1   25  32 o 42.777  1.6200  995.901    75.059   920.218    108.249  1065.98    104.167  40.919  2.4538  44.169  2.1774  -3.250549      3.280586  
1 1 1 1   25  33 o 18.576  1.3101  188.706    26.190   49.846     467.788  189.142    26.232   21.448  9.6404  18.598  1.3106  2.850374       9.729044  
1 1 1 1   25  34 o 28.318  10.727  619.368    451.996  0.0000     0.0000   619.368    451.996  ?       ?       28.318  10.727  0.000000       10.72711  
1 1 1 1   25  35 o 23.574  1.7668  306.374    44.784   0.0000     0.0000   306.374    44.784   ?       ?       23.574  1.7668  0.000000       1.766795  
1 1 1 1   25  36 o 25.794  12.064  632.804    838.793  0.0000     0.0000   632.804    838.793  ?       ?       25.794  12.064  0.000000       12.06365  
1 1 1 1   26  0  o 190.494 3.6510  19657.98   753.284  20389.55   1065.78  18927.72   1064.83  193.977 5.0728  186.890 5.2604  7.087219       7.307914  
1 1 1 1   26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   26  2  o 223.899 4.1644  27158.74   1009.88  26915.51   1428.26  27401.93   1428.12  222.852 5.9173  224.858 5.8639  -2.006210      8.330620  
1 1 1 1   26  3  o 412.308 7.0032  92151.04   3127.43  91271.03   4422.83  93031.06   4422.87  410.134 9.9564  414.077 9.8617  -3.943085      14.01371  
1 1 1 1   26  4  o 505.240 8.4304  138410.30  4613.33  139908.70  6524.37  136912.09  6524.10  507.661 11.866  502.182 11.995  5.479309       16.87213  
1 1 1 1   26  5  o 236.242 4.3299  30232.82   1107.91  30055.86   1567.07  30409.68   1566.58  235.515 6.1433  236.898 6.1055  -1.383011      8.661248  
1 1 1 1   26  6  o 112.944 2.7771  6909.05    339.726  6817.21    481.594  7000.03    479.304  112.185 3.9635  113.679 3.8928  -1.494774      5.555439  
1 1 1 1   26  7  o 400.124 6.7718  86760.65   2934.73  89482.56   4150.90  84040.23   4149.76  406.223 9.4343  393.659 9.7327  12.56360       13.55472  
1 1 1 1   26  8  o 158.124 3.2529  13542.85   557.106  13493.89   788.240  13591.71   787.493  157.825 4.6112  158.397 4.5902  -0.5712280     6.506364  
1 1 1 1   26  9  o 649.659 14.001  229310.41  9851.56  245984.30  23849.63 225880.09  10817.58 667.955 32.966  644.547 15.495  23.40887       36.42604  
1 1 1 1   26  10 o 816.282 18.913  363214.41  16721.01 0.0000     0.0000   363214.41  16721.01 ?       ?       816.282 18.913  0.000000       18.91263  
1 1 1 1   26  11 o 589.683 11.141  188805.20  7115.58  215200.50  12326.73 175614.50  8713.99  628.207 18.117  568.256 14.158  59.95178       22.99257  
1 1 1 1   26  12 f 567.237 10.267  174729.00  6307.65  193411.00  18068.53 172136.30  6731.12  591.489 28.204  562.891 11.041  28.59753       30.28767  
1 1 1 1   26  13 o 503.665 8.4054  137694.00  4585.33  144019.00  9170.47  135585.59  5294.72  513.440 16.490  499.592 9.7849  13.84760       19.17495  
1 1 1 1   26  14 o 116.782 3.4052  7389.19    430.713  8632.58    753.241  6785.13    525.014  126.178 5.5116  111.891 4.3322  14.28726       7.010402  
1 1 1 1   26  15 o 87.385  3.2614  4137.55    308.686  4958.57    541.036  3741.30    375.866  95.478  5.2520  82.975  4.1960  12.50350       6.722311  
1 1 1 1   26  16 f 174.590 3.5745  16519.64   675.942  18112.93   1348.38  15984.85   781.190  182.636 6.8164  171.716 4.2003  10.92015       8.006569  
1 1 1 1   26  17 o 51.525  3.4702  1445.41    192.531  1163.26    376.544  1545.28    224.031  45.602  7.9104  53.247  3.9120  -7.644413      8.824867  
1 1 1 1   26  18 o 94.802  2.7816  4870.09    285.620  4789.42    499.183  4909.35    348.260  93.825  4.9294  95.170  3.3786  -1.344994      5.976095  
1 1 1 1   26  19 o 119.820 3.0583  7781.20    396.891  8901.24    794.371  7408.59    458.178  128.024 5.7288  116.897 3.6188  11.12733       6.776009  
1 1 1 1   26  20 o 55.498  3.7249  1677.76    222.605  1511.22    424.527  1740.91    261.428  52.113  7.7578  56.483  4.3057  -4.370461      8.872584  
1 1 1 1   26  21 o 112.521 3.0930  6864.23    376.952  6766.53    751.749  6897.05    435.684  111.353 6.2585  112.769 3.5671  -1.416725      7.203622  
1 1 1 1   26  22 o 45.414  6.0931  1142.66    292.148  1340.29    414.294  947.184    412.033  48.885  8.1088  40.754  9.5084  8.130684       12.49650  
1 1 1 1   26  23 o 117.913 4.2513  7555.68    542.943  7351.35    776.523  7751.11    759.435  115.918 6.2074  119.239 5.8803  -3.321198      8.550456  
1 1 1 1   26  24 o 87.513  3.0752  4158.15    291.482  4724.92    576.107  3963.15    337.925  92.814  5.7593  85.391  3.6537  7.423203       6.820504  
1 1 1 1   26  25 o 79.688  3.2995  3453.22    284.780  3902.56    600.760  3322.98    323.427  83.933  6.6632  78.116  3.8227  5.817055       7.681890  
1 1 1 1   26  26 o 40.180  2.1147  878.693    91.705   735.199    468.893  884.400    93.510   35.640  11.024  40.308  2.1497  -4.667229      11.23167  
1 1 1 1   26  27 o 40.494  5.1414  916.337    220.420  921.739    469.390  914.808    249.658  39.201  10.738  40.268  5.8991  -1.067337      12.25208  
1 1 1 1   26  28 f 105.890 3.3340  6124.54    382.372  7384.38    760.767  5698.70    442.299  114.960 6.1321  101.950 4.0055  13.01022       7.324375  
1 1 1 1   26  29 o 86.957  2.6827  4123.50    252.664  3962.87    426.022  4210.66    313.812  84.533  4.6711  87.715  3.3031  -3.181351      5.721045  
1 1 1 1   26  30 o 79.403  2.8498  3447.62    245.090  3085.98    607.783  3517.84    267.832  72.518  7.8641  80.141  3.0856  -7.622475      8.447734  
1 1 1 1   26  31 o 60.900  4.3981  2074.00    288.148  2039.08    547.588  2087.37    338.858  57.595  9.0788  60.719  5.2028  -3.123837      10.46390  
1 1 1 1   26  32 o 34.758  6.2889  721.399    228.042  916.876    368.507  600.084    290.305  37.558  9.1444  30.656  8.4646  6.902384       12.46076  
1 1 1 1   26  33 o 47.272  6.2776  1361.71    313.470  0.0000     0.0000   1361.71    313.470  ?       ?       47.272  6.2776  0.000000       6.277622  
1 1 1 1   26  34 o 25.129  10.288  421.529    445.724  0.0000     0.0000   421.529    445.724  ?       ?       25.129  10.288  0.000000       10.28767  
1 1 1 1   26  35 o 19.254  8.8244  20.201     416.244  0.0000     0.0000   20.201     416.244  ?       ?       19.254  8.8244  0.000000       8.824402  
1 1 1 1   26  36 o 23.791  11.038  366.513    680.289  0.0000     0.0000   366.513    680.289  ?       ?       23.791  11.038  0.000000       11.03828  
1 1 1 1   27  0  o 376.828 6.4362  76965.60   2626.92  78250.55   3715.33  75681.08   3714.71  379.804 9.0317  373.506 9.1824  6.298309       12.87975  
1 1 1 1   27  1  o 228.118 4.2239  28191.35   1043.62  28039.02   1476.04  28343.62   1475.76  227.460 5.9913  228.693 5.9579  -1.233109      8.449420  
1 1 1 1   27  2  o 516.493 9.9165  144735.41  5547.44  143975.09  6794.10  146256.20  9608.74  514.891 12.183  518.248 17.118  -3.357117      21.01079  
1 1 1 1   27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   27  4  o 293.819 5.1920  46771.56   1652.28  45989.57   2336.98  47553.16   2336.39  291.288 7.4073  296.203 7.2826  -4.914612      10.38770  
1 1 1 1   27  5  o 125.363 2.9092  8511.97    395.012  8606.34    559.065  8417.88    558.199  126.048 4.0950  124.660 4.1342  1.388000       5.819004  
1 1 1 1   27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   27  7  o 466.340 7.8188  117880.80  3949.22  118911.50  5585.37  116850.20  5584.70  468.164 11.015  464.081 11.111  4.082703       15.64526  
1 1 1 1   27  8  o 190.427 3.6879  19642.30   760.648  20118.91   1076.49  19167.06   1074.95  192.704 5.1576  188.088 5.2766  4.615601       7.378599  
1 1 1 1   27  9  o 891.345 16.916  432363.00  16330.94 425633.41  28286.53 435727.59  20001.05 879.946 29.679  893.738 20.662  -13.79205      36.16322  
1 1 1 1   27  10 o 816.684 19.052  363683.81  16852.71 0.0000     0.0000   363683.81  16852.71 ?       ?       816.684 19.052  0.000000       19.05222  
1 1 1 1   27  11 o 146.881 3.2241  11686.16   512.917  11294.37   1020.04  11818.74   593.393  144.346 6.5244  147.706 3.7091  -3.360092      7.505073  
1 1 1 1   27  12 o 144.076 3.1230  11244.47   487.340  12572.57   987.187  10816.51   560.385  152.292 5.9848  141.300 3.6616  10.99171       7.016106  
1 1 1 1   27  13 o 558.456 9.2089  169380.00  5570.14  191924.20  11141.61 161867.70  6431.58  592.297 17.368  545.621 10.883  46.67560       20.49574  
1 1 1 1   27  14 o 434.257 8.5089  102437.90  4002.12  104905.70  6929.81  101202.90  4902.30  438.159 14.602  431.289 10.495  6.869995       17.98221  
1 1 1 1   27  15 o 147.179 3.7363  11739.38   595.604  12763.00   1034.57  11231.94   728.425  153.364 6.2283  143.934 4.6725  9.429779       7.786132  
1 1 1 1   27  16 o 123.765 3.0928  8300.13    414.593  8406.07    814.996  8263.15    481.558  124.453 6.0462  123.477 3.6008  0.9760284      7.037164  
1 1 1 1   27  17 o 168.870 3.5047  15456.55   641.023  15467.38   1281.62  15452.93   740.272  168.713 7.0136  168.826 4.0484  -0.1126862     8.098149  
1 1 1 1   27  18 o 253.442 4.6189  34843.33   1267.91  35930.59   2535.08  34480.62   1464.20  256.747 9.1162  252.046 5.3635  4.701401       10.57702  
1 1 1 1   27  19 o 184.098 3.7085  18376.38   739.471  19311.48   1478.48  18064.42   853.957  188.406 7.2452  182.490 4.3204  5.916351       8.435574  
1 1 1 1   27  20 o 193.795 3.8523  20369.05   808.596  20129.26   1610.48  20449.88   934.988  192.219 7.7355  194.131 4.4467  -1.912598      8.922537  
1 1 1 1   27  21 o 141.904 5.1761  10939.68   795.553  11182.49   1125.08  10696.88   1125.09  143.068 7.2847  139.890 7.4524  3.177765       10.42139  
1 1 1 1   27  22 o 207.917 5.7071  23524.49   1285.21  22325.57   1816.87  24725.24   1818.26  202.007 8.3040  212.690 7.8929  -10.68361      11.45663  
1 1 1 1   27  23 o 61.618  3.7227  2069.36    247.282  1938.52    459.425  2122.73    293.409  59.073  7.3386  62.337  4.3734  -3.263634      8.542924  
1 1 1 1   27  24 o 149.392 3.5213  12128.66   569.764  12503.89   1250.52  12030.36   640.060  150.510 7.6968  148.714 3.9737  1.795563       8.662030  
1 1 1 1   27  25 o 89.206  2.8824  4323.68    278.499  4598.31    645.055  4260.77    308.759  91.144  6.5785  88.518  3.2204  2.625641       7.324468  
1 1 1 1   27  26 o 118.267 3.2061  7614.86    410.685  8729.56    838.636  7263.21    471.029  125.740 6.1579  115.388 3.7689  10.35212       7.219694  
1 1 1 1   27  27 o 23.813  7.0991  321.751    196.889  914.611    441.702  174.743    219.950  39.083  10.292  20.047  7.5068  19.03601       12.73903  
1 1 1 1   27  28 o 26.621  1.6341  386.025    46.888   313.306    450.703  386.821    47.144   27.206  10.606  26.647  1.6414  0.5583572      10.73185  
1 1 1 1   27  29 o 46.385  2.3727  1174.66    118.806  1150.82    129.966  1295.86    293.050  45.869  2.6269  47.827  5.7740  -1.958241      6.343471  
1 1 1 1   27  30 o 58.300  4.4700  1895.92    280.109  1237.86    536.716  2142.26    328.378  43.730  11.263  61.794  4.9478  -18.06428      12.30193  
1 1 1 1   27  31 o 38.023  6.4732  849.442    257.036  961.299    487.294  806.322    302.548  38.130  11.116  36.378  7.9046  1.752438       13.64009  
1 1 1 1   27  32 o 31.047  1.7815  527.052    59.654   20.718     477.931  535.065    60.125   22.174  9.8709  31.282  1.7819  -9.108465      10.03042  
1 1 1 1   27  33 o 17.340  2.6922  169.908    48.920   0.0000     0.0000   169.908    48.920   ?       ?       17.340  2.6922  0.000000       2.692162  
1 1 1 1   27  34 o 23.582  9.8276  330.551    416.646  0.0000     0.0000   330.551    416.646  ?       ?       23.582  9.8276  0.000000       9.827609  
1 1 1 1   27  35 o 27.058  10.662  616.106    459.600  0.0000     0.0000   616.106    459.600  ?       ?       27.058  10.662  0.000000       10.66159  
1 1 1 1   27  36 o 26.779  11.890  737.520    689.052  0.0000     0.0000   737.520    689.052  ?       ?       26.779  11.890  0.000000       11.89012  
1 1 1 1   28  0  o 580.766 13.681  183272.09  8605.76  183272.09  8605.76  0.0000     0.0000   580.766 13.681  ?       ?       0.000000       13.68101  
1 1 1 1   28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   28  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   28  3  o 567.257 13.273  174740.20  8155.09  156968.30  11532.72 192514.00  11533.36 536.730 19.838  594.740 17.904  -58.00995      26.72313  
1 1 1 1   28  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   28  6  o 552.005 9.1754  165218.50  5485.77  165744.41  7758.22  164692.59  7757.88  552.546 12.964  550.786 13.004  1.760254       18.36214  
1 1 1 1   28  7  o 587.659 9.7331  187291.59  6195.11  190765.80  8761.58  183818.00  8760.83  592.672 13.649  581.748 13.904  10.92389       19.48371  
1 1 1 1   28  8  f 599.804 11.463  195245.50  7447.00  196469.09  9120.81  192798.41  12898.21 601.367 14.003  594.742 20.023  6.625244       24.43378  
1 1 1 1   28  9  o 683.236 13.008  253555.00  9625.96  250922.41  16673.19 254871.20  11789.16 677.622 22.718  684.505 15.901  -6.882874      27.72977  
1 1 1 1   28  10 o 1073.28 35.864  639615.62  41690.30 639615.62  41690.30 0.0000     0.0000   1073.28 35.864  ?       ?       0.000000       35.86357  
1 1 1 1   28  11 o 209.139 3.9064  23695.64   884.882  27716.93   1775.84  22367.39   1020.61  226.091 7.2519  203.178 4.6378  22.91280       8.608059  
1 1 1 1   28  12 o 465.099 8.4295  117389.00  4246.36  129449.80  7862.62  112422.50  5045.45  487.344 14.896  454.931 10.240  32.41199       18.07574  
1 1 1 1   28  13 o 299.538 5.2369  48637.02   1699.00  51186.13   3400.23  47788.80   1961.41  306.866 10.230  296.863 6.1002  10.00351       11.91099  
1 1 1 1   28  14 o 571.741 11.000  177974.09  6812.06  194103.09  11798.01 169908.00  8343.32  594.284 18.329  557.780 13.810  36.50391       22.94967  
1 1 1 1   28  15 o 379.138 6.4868  78019.35   2663.79  73800.01   5325.38  79427.34   3076.30  367.413 13.382  382.411 7.4273  -14.99808      15.30509  
1 1 1 1   28  16 o 233.105 4.5400  29463.87   1146.24  31789.72   2150.18  28540.48   1354.80  241.785 8.2106  229.359 5.4537  12.42609       9.856808  
1 1 1 1   28  17 o 414.721 7.0254  93467.34   3155.70  100410.80  6311.25  91152.72   3643.92  427.809 13.621  409.292 8.2199  18.51688       15.90869  
1 1 1 1   28  18 o 258.731 4.9873  36323.75   1397.59  35191.93   3694.40  36512.78   1509.80  252.741 13.545  259.362 5.3746  -6.620483      14.57237  
1 1 1 1   28  19 o 240.574 4.7318  31404.84   1232.95  30642.52   3201.09  31537.63   1336.03  235.908 12.573  241.042 5.1175  -5.134369      13.57501  
1 1 1 1   28  20 o 120.027 4.4012  7817.44    572.167  7953.67    808.045  7680.46    810.292  120.794 6.1970  118.679 6.3266  2.115135       8.855987  
1 1 1 1   28  21 o 109.536 4.3481  6512.49    515.857  6680.34    729.104  6344.24    729.961  110.650 6.1074  107.799 6.2792  2.851524       8.759435  
1 1 1 1   28  22 o 181.186 5.2347  17853.41   1027.28  19065.86   1453.46  16643.16   1452.14  186.892 7.1803  174.515 7.6825  12.37694       10.51560  
1 1 1 1   28  23 o 192.923 3.8663  20219.34   807.891  18790.13   1601.07  20707.54   935.756  185.038 7.9888  195.143 4.4273  -10.10576      9.133536  
1 1 1 1   28  24 o 68.417  2.5588  2539.85    189.615  2833.64    252.242  2158.13    287.521  72.225  3.2245  62.819  4.2508  9.406136       5.335395  
1 1 1 1   28  25 o 97.872  2.7833  5204.05    295.051  4722.56    536.850  5412.43    353.172  92.685  5.3708  99.752  3.2688  -7.067581      6.287352  
1 1 1 1   28  26 o 25.374  7.3020  366.976    211.493  63.566     440.421  457.911    241.112  23.669  9.9988  28.181  7.6866  -4.511942      12.61189  
1 1 1 1   28  27 o 25.350  7.1338  369.830    204.134  222.012    440.717  410.205    230.331  25.784  10.348  26.665  7.6037  -0.8808613     12.84101  
1 1 1 1   28  28 o 44.620  5.0204  1112.97    238.411  796.016    478.843  1217.44    274.908  36.259  11.128  46.532  5.5650  -10.27303      12.44194  
1 1 1 1   28  29 o 47.853  2.1088  1245.66    109.299  1288.72    117.383  964.956    299.696  48.660  2.2272  40.703  7.0535  7.957054       7.396823  
1 1 1 1   28  30 o 75.281  3.7446  3122.91    305.327  2928.38    597.827  3191.56    355.138  70.446  7.9757  75.763  4.3460  -5.316544      9.082893  
1 1 1 1   28  31 o 26.218  7.8283  415.473    239.275  348.229    469.207  439.106    278.162  26.939  10.722  26.927  8.5159  0.1191902E-01  13.69262  
1 1 1 1   28  32 o 46.228  5.5036  1245.04    270.147  1559.43    515.358  1125.92    317.223  48.082  10.211  42.998  7.0564  5.084023       12.41217  
1 1 1 1   28  33 o 19.976  8.2445  171.503    289.164  0.0000     0.0000   171.503    289.164  ?       ?       19.976  8.2445  0.000000       8.244473  
1 1 1 1   28  34 o 19.801  8.9349  40.530     406.446  0.0000     0.0000   40.530     406.446  ?       ?       19.801  8.9349  0.000000       8.934933  
1 1 1 1   28  35 o 41.140  2.8168  950.548    124.757  0.0000     0.0000   950.548    124.757  ?       ?       41.140  2.8168  0.000000       2.816780  
1 1 1 1   28  36 o 30.647  12.909  1166.55    730.753  0.0000     0.0000   1166.55    730.753  ?       ?       30.647  12.909  0.000000       12.90934  
1 1 1 1   29  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   29  1  o 460.445 7.7428  114922.80  3861.42  116651.60  5461.08  113194.40  5460.65  463.683 10.874  456.747 11.038  6.935547       15.49466  
1 1 1 1   29  2  o 438.074 7.3778  104014.70  3500.60  103920.70  4950.77  104108.60  4950.42  437.694 10.443  438.090 10.433  -0.3963928     14.76167  
1 1 1 1   29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   29  4  o 588.994 9.7290  188126.09  6206.51  191120.20  8777.58  185132.30  8777.09  593.273 13.660  583.880 13.879  9.392822       19.47358  
1 1 1 1   29  5  o 226.966 4.2217  27904.34   1037.80  27422.71   1468.01  28385.54   1467.34  224.969 6.0247  228.886 5.9189  -3.917389      8.445739  
1 1 1 1   29  6  o 199.971 4.4083  21662.12   954.789  22295.68   1170.11  20399.79   1651.66  202.861 5.3255  193.997 7.8606  8.864655       9.494741  
1 1 1 1   29  7  o 331.714 5.7102  59619.49   2051.57  60375.81   2901.64  58863.46   2901.06  333.729 8.0275  329.518 8.1284  4.210449       11.42420  
1 1 1 1   29  8  o 573.802 9.5018  178572.20  5905.27  180442.30  8351.89  176702.59  8350.74  576.375 13.379  570.354 13.518  6.021790       19.01895  
1 1 1 1   29  9  o 438.232 8.4833  104139.30  4026.61  103845.90  6975.07  104285.90  4931.29  437.039 14.735  438.397 10.385  -1.358429      18.02733  
1 1 1 1   29  10 o 474.559 11.240  122278.50  5777.22  124444.40  8171.88  120114.40  8168.56  478.141 15.780  469.707 16.056  8.434479       22.51231  
1 1 1 1   29  11 o 490.047 8.1813  130269.80  4342.43  138471.59  8686.71  127537.40  5013.85  504.064 15.911  484.733 9.5499  19.33136       18.55700  
1 1 1 1   29  12 o 490.934 8.8121  130832.50  4685.65  144770.50  8671.98  125085.60  5568.49  515.136 15.543  479.758 10.716  35.37817       18.87893  
1 1 1 1   29  13 o 154.416 3.2836  12918.20   549.181  14126.03   1103.92  12520.97   633.080  161.386 6.3154  152.012 3.8451  9.373566       7.393898  
1 1 1 1   29  14 o 45.030  2.3282  1101.32    113.163  1079.64    119.565  1287.65    350.543  44.574  2.4865  48.222  6.9091  -3.647495      7.342926  
1 1 1 1   29  15 o 233.734 4.6641  29620.78   1180.75  31698.49   3075.97  29261.72   1278.71  241.027 11.783  232.287 5.0825  8.739563       12.83220  
1 1 1 1   29  16 o 297.283 5.6423  47957.02   1816.76  55597.91   3384.55  44864.32   2153.27  319.448 9.7821  287.392 6.9176  32.05582       11.98088  
1 1 1 1   29  17 o 538.053 9.0154  157698.30  5253.91  165367.09  10506.73 155141.30  6066.90  546.419 17.753  533.117 10.507  13.30255       20.62918  
1 1 1 1   29  18 o 128.084 3.1988  8891.72    443.766  8548.21    858.497  9016.97    518.394  125.275 6.3478  128.964 3.7112  -3.689682      7.353117  
1 1 1 1   29  19 o 124.074 3.2050  8344.44    430.709  9011.12    840.735  8107.21    501.521  128.785 6.0273  122.275 3.7869  6.510025       7.118211  
1 1 1 1   29  20 o 37.718  6.8622  798.084    270.008  837.562    378.280  757.081    385.522  38.396  9.2137  36.555  9.6102  1.840946       13.31344  
1 1 1 1   29  21 o 128.605 4.5007  8979.49    626.923  9807.87    886.422  8150.42    886.784  134.266 6.0954  122.153 6.7286  12.11312       9.078978  
1 1 1 1   29  22 o 138.320 3.2649  10378.96   489.133  9260.95    1019.77  10713.03   557.441  130.023 7.2704  140.498 3.6632  -10.47530      8.141103  
1 1 1 1   29  23 o 195.607 3.8743  20789.43   820.810  18648.14   1629.65  21517.29   950.127  184.218 8.1676  198.905 4.4103  -14.68713      9.282232  
1 1 1 1   29  24 o 99.181  3.0500  5342.46    327.639  4876.86    654.602  5498.09    378.455  94.079  6.4633  100.573 3.4743  -6.493378      7.337931  
1 1 1 1   29  25 o 141.779 3.4790  10942.05   534.247  10896.08   1126.26  10955.40   606.869  140.015 7.4535  141.760 3.9525  -1.745361      8.436604  
1 1 1 1   29  26 o 43.596  1.6929  1030.85    79.935   1083.17    84.699   604.553    241.760  44.686  1.7500  32.380  7.0900  12.30648       7.302772  
1 1 1 1   29  27 o 55.272  2.5111  1661.47    150.326  1812.15    499.422  1646.46    157.637  55.955  8.5087  55.009  2.6458  0.9459801      8.910616  
1 1 1 1   29  28 o 34.438  2.0722  646.853    76.933   514.805    455.456  650.731    78.054   30.693  10.906  34.539  2.0964  -3.845766      11.10590  
1 1 1 1   29  29 o 39.462  1.7980  846.138    76.849   758.624    111.404  925.589    106.148  37.177  2.7870  41.152  2.3918  -3.975128      3.672595  
1 1 1 1   29  30 o 71.582  3.6479  2828.80    281.888  2715.22    488.214  2885.61    345.252  68.635  6.6509  71.966  4.4512  -3.331650      8.002954  
1 1 1 1   29  31 o 20.868  7.8705  210.843    242.650  548.058    459.675  80.579     285.699  30.073  10.923  19.263  8.0908  10.80933       13.59300  
1 1 1 1   29  32 o 15.912  7.0542  -28.9817   241.625  -207.8926  460.506  38.985     283.834  19.466  9.0485  18.145  7.8527  1.321205       11.98087  
1 1 1 1   29  33 o 35.363  10.383  932.989    423.825  0.0000     0.0000   932.989    423.825  ?       ?       35.363  10.383  0.000000       10.38344  
1 1 1 1   29  34 o 24.191  10.163  361.955    450.987  0.0000     0.0000   361.955    450.987  ?       ?       24.191  10.163  0.000000       10.16306  
1 1 1 1   29  35 o 18.144  8.5176  -106.9748  424.909  0.0000     0.0000   -106.9748  424.909  ?       ?       18.144  8.5176  0.000000       8.517640  
1 1 1 1   29  36 o 27.221  12.197  807.791    742.694  0.0000     0.0000   807.791    742.694  ?       ?       27.221  12.197  0.000000       12.19743  
1 1 1 1   30  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   30  1  o 483.112 8.0815  126518.00  4228.75  128449.30  5980.70  124587.10  5980.02  486.560 11.349  479.175 11.522  7.384796       16.17268  
1 1 1 1   30  2  o 242.554 4.4487  31869.81   1168.72  30714.84   1652.83  33024.75   1652.81  238.082 6.4096  246.877 6.1812  -8.795273      8.904510  
1 1 1 1   30  3  o 258.184 4.6195  36110.36   1291.80  36266.62   1827.03  35954.14   1826.73  258.704 6.5204  257.586 6.5476  1.117554       9.240472  
1 1 1 1   30  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   30  5  o 518.248 8.6249  145607.70  4841.30  142719.00  6846.69  148496.30  6846.58  512.793 12.327  523.092 12.084  -10.29852      17.26255  
1 1 1 1   30  6  o 119.055 2.8445  7676.92    366.800  8082.16    518.873  7272.11    518.593  122.150 3.9219  115.866 4.1324  6.284431       5.697203  
1 1 1 1   30  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   30  8  o 690.952 11.380  259117.50  8516.52  263537.41  12044.76 254698.50  12043.60 696.073 15.976  684.249 16.251  11.82410       22.78867  
1 1 1 1   30  9  o 109.539 3.2795  6499.30    389.088  7659.12    681.367  5938.10    473.965  118.893 5.2912  104.697 4.1797  14.19611       6.742904  
1 1 1 1   30  10 o 453.320 12.825  111688.10  6296.76  112937.90  11509.08 111154.20  7522.48  453.349 23.520  451.882 15.370  1.466248       28.09638  
1 1 1 1   30  11 o 30.485  3.6317  510.605    117.551  713.825    284.918  468.916    129.046  35.601  7.6192  29.117  4.2144  6.483622       8.707074  
1 1 1 1   30  12 o 694.974 12.563  262893.41  9456.81  274944.81  17463.15 257892.91  11248.98 706.628 22.817  687.558 15.105  19.07043       27.36415  
1 1 1 1   30  13 o 200.691 3.8690  21824.94   840.996  22987.96   1676.32  21433.75   972.197  205.799 7.5204  198.863 4.5137  6.936401       8.770996  
1 1 1 1   30  14 o 503.875 11.978  138448.00  6537.17  140953.00  9244.74  135942.70  9245.17  506.709 16.845  497.496 17.158  9.213287       24.04430  
1 1 1 1   30  15 o 150.189 3.2825  12223.06   533.967  12290.05   1065.19  12200.58   617.104  150.466 6.5361  150.036 3.7975  0.4301300      7.559182  
1 1 1 1   30  16 o 107.519 2.9303  6264.05    341.248  6683.11    689.399  6128.04    392.736  110.820 5.7635  106.335 3.4100  4.484520       6.696710  
1 1 1 1   30  17 o 52.579  3.6957  1506.05    209.127  1133.87    383.634  1663.40    249.448  44.958  8.1798  55.226  4.2018  -10.26849      9.195881  
1 1 1 1   30  18 o 273.126 4.8163  40475.29   1424.77  40605.92   2840.69  40431.38   1646.90  272.797 9.6142  272.891 5.5720  -0.9359741E-01 11.11216  
1 1 1 1   30  19 o 447.473 10.761  109586.00  5215.45  118187.30  7375.89  100985.30  7375.62  462.592 14.721  426.881 15.952  35.71109       21.70691  
1 1 1 1   30  20 o 405.468 9.8456  89968.77   4323.81  92841.77   6114.30  87094.83   6115.29  409.857 13.774  396.698 14.233  13.15860       19.80604  
1 1 1 1   30  21 o 346.177 6.1869  65220.97   2319.76  56501.87   6368.65  66554.74   2490.88  315.432 18.725  349.586 6.5785  -34.15421      19.84698  
1 1 1 1   30  22 f 205.774 4.1598  22997.14   927.121  21956.59   1727.55  23418.06   1098.75  200.298 7.9631  207.535 4.8881  -7.237091      9.343702  
1 1 1 1   30  23 o 61.458  3.6533  2059.02    242.089  1676.19    449.615  2215.32    287.288  54.722  7.8072  63.693  4.1878  -8.970840      8.859468  
1 1 1 1   30  24 o 94.592  2.9482  4859.24    302.054  4383.58    610.055  5013.72    347.659  89.172  6.3581  96.046  3.3420  -6.874146      7.182923  
1 1 1 1   30  25 o 46.820  4.7487  1210.82    237.481  1782.16    472.683  1017.91    274.662  56.066  8.0118  42.591  6.1307  13.47488       10.08837  
1 1 1 1   30  26 o 102.360 3.1076  5703.99    344.528  6111.66    586.697  5489.42    425.648  105.477 5.1355  100.261 3.9197  5.216415       6.460448  
1 1 1 1   30  27 o 25.064  1.5325  342.018    41.403   -21.0301   309.693  348.625    41.778   18.877  8.1862  25.306  1.5315  -6.428358      8.328234  
1 1 1 1   30  28 o 73.839  3.4962  2982.80    279.606  3008.39    485.969  2970.14    341.858  73.134  6.1933  73.366  4.3212  -0.2318954     7.551771  
1 1 1 1   30  29 f 5.6872  2.5887  -22.0382   35.030   -29.0756   35.343   370.111    263.829  5.4810  2.5334  25.448  8.3167  -19.96735      8.693973  
1 1 1 1   30  30 o 60.432  2.8387  1998.39    185.801  1811.16    221.786  2439.08    340.258  57.246  3.5953  65.977  4.7943  -8.730881      5.992603  
1 1 1 1   30  31 o 48.636  5.2246  1349.45    270.909  1374.21    512.401  1339.85    319.165  45.812  10.545  47.926  6.3013  -2.114597      12.28443  
1 1 1 1   30  32 o 46.323  5.4312  1253.25    267.329  1307.32    516.481  1233.47    312.437  42.747  11.068  45.223  6.5710  -2.475697      12.87170  
1 1 1 1   30  33 o 20.992  9.2799  96.773     415.303  0.0000     0.0000   96.773     415.303  ?       ?       20.992  9.2799  0.000000       9.279913  
1 1 1 1   30  34 o 19.327  8.9667  -71.1372   448.815  0.0000     0.0000   -71.1372   448.815  ?       ?       19.327  8.9667  0.000000       8.966706  
1 1 1 1   30  35 o 20.460  9.2042  134.687    427.541  0.0000     0.0000   134.687    427.541  ?       ?       20.460  9.2042  0.000000       9.204231  
1 1 1 1   31  0  o 502.604 8.3717  136937.30  4557.34  139042.00  6445.42  134833.20  6444.68  506.209 11.756  498.474 11.937  7.735413       16.75369  
1 1 1 1   31  1  o 448.539 7.5296  109040.40  3657.99  112325.90  5173.67  105756.30  5172.70  455.075 10.497  441.545 10.816  13.52963       15.07202  
1 1 1 1   31  2  o 362.577 6.1749  71231.64   2424.93  72716.65   3429.60  69747.03   3429.14  366.242 8.6458  358.678 8.8269  7.564270       12.35573  
1 1 1 1   31  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   31  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   31  5  o 382.742 6.5321  79382.99   2707.88  79533.24   3829.66  79232.77   3829.37  382.984 9.2323  382.259 9.2491  0.7250061      13.06833  
1 1 1 1   31  6  o 422.345 7.0990  96674.90   3247.39  97190.95   4592.65  96158.91   4592.35  423.308 10.017  421.051 10.070  2.256989       14.20371  
1 1 1 1   31  7  o 143.130 3.1126  11096.12   482.526  11098.99   684.116  11093.28   680.686  143.137 4.4127  143.101 4.3917  0.3662109E-01  6.225703  
1 1 1 1   31  8  o 721.676 13.706  282986.59  10713.10 286191.19  13121.14 276578.31  18554.73 725.168 16.706  711.001 24.094  14.16681       29.31916  
1 1 1 1   31  9  o 581.225 13.658  183620.20  8597.87  184054.80  12160.48 183185.70  12157.96 580.847 19.329  579.465 19.372  1.382263       27.36570  
1 1 1 1   31  10 o 510.011 9.1919  141141.00  5077.57  143640.80  6641.79  137625.30  7876.63  514.162 11.927  502.891 14.461  11.27173       18.74464  
1 1 1 1   31  11 o 168.860 3.5915  15447.31   656.860  16394.17   1263.19  15096.39   769.007  173.880 6.7073  166.919 4.2536  6.960876       7.942379  
1 1 1 1   31  12 o 227.031 4.4539  27932.06   1095.20  30430.21   2061.38  26949.55   1292.76  236.786 8.0377  222.969 5.3531  13.81709       9.657103  
1 1 1 1   31  13 o 229.258 4.7988  28490.93   1191.58  30134.42   2066.20  27671.94   1458.57  235.569 8.0981  225.880 5.9618  9.688843       10.05597  
1 1 1 1   31  14 o 149.719 3.7428  12147.82   606.933  12798.59   1053.47  11824.50   742.552  153.576 6.3333  147.685 4.6422  5.891281       7.852403  
1 1 1 1   31  15 o 156.581 3.5421  13287.17   600.714  14551.40   1391.68  12997.68   665.948  163.631 7.8524  154.852 3.9706  8.779037       8.799204  
1 1 1 1   31  16 o 263.718 5.0510  37727.29   1442.74  40840.36   2697.89  36480.45   1707.39  273.862 9.0954  259.224 6.0812  14.63770       10.94105  
1 1 1 1   31  17 o 179.455 3.6155  17457.18   702.732  19368.97   1404.23  16818.42   811.684  188.786 6.8675  176.108 4.2554  12.67834       8.079000  
1 1 1 1   31  18 o 268.253 6.8612  39122.11   1993.48  41490.78   2818.75  36751.94   2819.65  275.776 9.4369  259.425 10.035  16.35052       13.77515  
1 1 1 1   31  19 o 133.454 4.6802  9664.85    676.498  9658.14    993.377  9670.64    923.831  133.070 6.9161  133.376 6.3951  -0.3064575     9.419651  
1 1 1 1   31  20 o 121.728 4.3288  8041.24    570.721  7247.56    801.043  8859.47    813.342  115.243 6.4434  127.660 5.8823  -12.41726      8.724638  
1 1 1 1   31  21 o 120.106 3.2543  7823.26    423.343  7602.93    808.377  7906.52    496.936  117.999 6.3484  120.712 3.8008  -2.713066      7.399240  
1 1 1 1   31  22 o 169.965 3.6716  15681.26   675.913  15311.51   1325.17  15811.28   785.818  167.369 7.3102  170.600 4.2528  -3.231476      8.457217  
1 1 1 1   31  23 o 159.954 3.5495  13898.28   614.936  12171.61   1361.77  14340.56   689.209  148.385 8.5087  162.425 3.9177  -14.04033      9.367254  
1 1 1 1   31  24 o 157.495 3.4292  13486.45   584.959  13079.60   1151.58  13627.93   679.096  154.173 6.8963  158.213 3.9629  -4.040543      7.953852  
1 1 1 1   31  25 o 50.895  4.6352  1427.75    252.712  1399.73    485.365  1438.17    295.999  49.109  9.4683  50.913  5.4525  -1.804447      10.92606  
1 1 1 1   31  26 o 5.1050  2.3668  -27.2456   31.196   -23.8616   31.419   -262.7820  262.127  5.2471  2.4121  14.244  6.6877  -8.996380      7.109374  
1 1 1 1   31  27 o 79.077  2.8419  3405.71    243.401  3576.84    346.429  3238.87    342.055  80.824  3.9573  76.767  4.1290  4.057060       5.719223  
1 1 1 1   31  28 o 60.871  2.5695  2018.00    169.407  2070.55    204.416  1902.75    302.709  61.585  3.0646  58.505  4.8199  3.079132       5.711698  
1 1 1 1   31  29 o 50.340  2.3106  1380.23    125.980  1396.82    139.907  1309.14    289.638  50.545  2.5640  48.044  5.6756  2.500221       6.227895  
1 1 1 1   31  30 o 62.685  2.6715  2147.88    181.380  2153.11    218.452  2136.27    325.450  62.546  3.2357  61.663  4.9137  0.8835297      5.883407  
1 1 1 1   31  31 o 58.389  4.2169  1908.80    264.890  1468.51    540.674  2047.85    303.856  47.072  10.830  60.258  4.6927  -13.18594      11.80304  
1 1 1 1   31  32 o 51.631  4.9986  1540.77    276.030  1434.37    529.336  1580.52    323.495  44.735  11.001  51.690  5.8829  -6.955547      12.47554  
1 1 1 1   31  33 o 23.465  9.9943  266.562    446.126  0.0000     0.0000   266.562    446.126  ?       ?       23.465  9.9943  0.000000       9.994316  
1 1 1 1   31  34 o 26.831  10.413  550.299    432.986  0.0000     0.0000   550.299    432.986  ?       ?       26.831  10.413  0.000000       10.41293  
1 1 1 1   31  35 o 29.404  2.0306  478.569    64.274   0.0000     0.0000   478.569    64.274   ?       ?       29.404  2.0306  0.000000       2.030602  
1 1 1 1   32  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   32  1  o 462.586 7.7611  115981.80  3888.55  117275.50  5499.61  114688.50  5498.86  464.967 10.920  459.801 11.042  5.165527       15.52975  
1 1 1 1   32  2  o 199.258 3.8411  21505.99   828.967  21300.45   1172.53  21711.41   1172.15  198.282 5.4597  200.186 5.4060  -1.904449      7.683321  
1 1 1 1   32  3  o 613.343 14.384  204327.50  9555.41  209124.00  13513.14 199530.70  13513.65 619.627 20.135  605.163 20.617  14.46338       28.81832  
1 1 1 1   32  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   32  5  o 521.146 8.6669  147249.59  4892.10  151372.09  6918.79  143127.80  6918.15  528.107 12.096  513.492 12.439  14.61548       17.35052  
1 1 1 1   32  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   32  7  o 251.220 4.5591  34190.15   1240.51  34002.59   1756.25  34376.89   1752.45  250.485 6.4734  251.862 6.4241  -1.376251      9.119994  
1 1 1 1   32  8  o 248.500 5.1096  33458.19   1375.25  33377.63   2381.58  33498.49   1684.48  248.082 8.8634  248.620 6.2555  -0.5386353     10.84854  
1 1 1 1   32  9  o 191.784 4.2992  19926.55   893.046  19978.70   1096.38  19823.74   1539.46  192.016 5.2717  191.215 7.4332  0.8007965      9.112814  
1 1 1 1   32  10 o 203.792 4.0878  22500.74   902.296  23066.96   1206.29  21781.59   1359.48  206.309 5.3984  200.453 6.2617  5.855682       8.267469  
1 1 1 1   32  11 o 482.790 7.9728  126468.00  4169.06  142407.70  8340.37  121158.60  4813.59  511.069 15.067  472.372 9.4084  38.69730       17.76349  
1 1 1 1   32  12 f 597.680 10.733  194258.20  6948.04  222735.20  12841.74 182471.50  8261.75  637.354 18.603  578.656 13.182  58.69751       22.79959  
1 1 1 1   32  13 o 428.921 8.4012  99940.02   3902.93  104034.20  6759.44  97892.33   4780.33  436.341 14.303  424.154 10.406  12.18622       17.68725  
1 1 1 1   32  14 o 104.814 3.2873  5952.82    373.190  6694.72    647.871  5584.42    456.539  111.102 5.3839  101.502 4.1527  9.599480       6.799387  
1 1 1 1   32  15 o 127.089 3.0526  8751.79    420.192  10533.90   841.439  8159.74    484.993  139.340 5.5754  122.701 3.6494  16.63922       6.663568  
1 1 1 1   32  16 o 385.621 7.1574  80810.55   2989.42  80659.41   5541.39  80872.59   3550.36  383.622 13.337  385.495 8.5032  -1.872437      15.81675  
1 1 1 1   32  17 o 30.240  1.4314  495.290    46.883   500.601    47.407   258.706    316.415  30.401  1.4397  24.549  9.0400  5.852129       9.153955  
1 1 1 1   32  18 o 215.807 5.8082  25293.31   1357.63  24431.93   1918.20  26157.89   1921.76  211.779 8.3626  219.172 8.0955  -7.393143      11.63916  
1 1 1 1   32  19 o 142.777 4.6140  11062.24   713.515  10565.57   1006.73  11563.52   1011.41  139.380 6.6687  145.839 6.4030  -6.458206      9.245005  
1 1 1 1   32  20 o 143.768 3.3368  11207.57   519.600  10586.15   1009.54  11431.51   606.034  139.463 6.6834  145.167 3.8544  -5.704010      7.715171  
1 1 1 1   32  21 o 125.657 3.2642  8563.65    444.258  8244.47    853.497  8682.26    520.298  122.866 6.4360  126.491 3.7977  -3.625839      7.472911  
1 1 1 1   32  22 o 56.763  3.9043  1758.01    238.577  1437.37    431.114  1899.55    286.436  50.599  8.1428  58.943  4.5211  -8.344864      9.313695  
1 1 1 1   32  23 o 102.171 3.0312  5666.48    335.442  5239.02    661.938  5814.18    389.103  97.668  6.2908  103.456 3.4725  -5.787941      7.185593  
1 1 1 1   32  24 o 86.096  3.2432  4029.21    302.435  4464.82    623.708  3895.30    345.809  89.920  6.4469  84.598  3.7740  5.321861       7.470304  
1 1 1 1   32  25 o 148.921 3.4829  12078.10   561.772  10817.88   1115.31  12506.52   650.287  139.379 7.4147  151.413 3.9653  -12.03392      8.408385  
1 1 1 1   32  26 o 43.050  2.0104  1005.99    93.741   618.167    454.007  1023.26    95.806   33.088  10.915  43.416  2.0374  -10.32808      11.10306  
1 1 1 1   32  27 o 120.692 3.2713  7949.05    427.633  7061.14    801.201  8302.77    505.687  112.260 6.6187  123.187 3.7901  -10.92696      7.627003  
1 1 1 1   32  28 o 31.009  2.0709  525.001    69.151   511.642    71.322   734.453    282.411  30.598  2.1661  35.325  7.6061  -4.727354      7.908508  
1 1 1 1   32  29 o 74.072  2.3970  2989.95    192.303  3027.35    304.591  2965.16    247.973  74.089  3.8086  73.607  3.1104  0.4817352      4.917321  
1 1 1 1   32  30 f 56.732  2.0664  1752.84    126.975  1431.69    188.619  2019.00    171.709  50.908  3.4410  60.785  2.6081  -9.877399      4.317724  
1 1 1 1   32  31 o 11.775  2.3785  78.476     29.290   -122.5984  456.171  79.308     29.350   20.633  9.3725  11.840  2.3714  8.793107       9.667859  
1 1 1 1   32  32 o 42.336  6.0407  1073.08    269.138  1001.18    502.778  1101.95    318.635  36.496  11.436  42.070  7.2548  -5.574440      13.54331  
1 1 1 1   32  33 o 26.858  10.275  505.665    417.268  0.0000     0.0000   505.665    417.268  ?       ?       26.858  10.275  0.000000       10.27496  
1 1 1 1   32  34 o 23.319  9.8021  329.306    419.881  0.0000     0.0000   329.306    419.881  ?       ?       23.319  9.8021  0.000000       9.802087  
1 1 1 1   32  35 o 18.391  8.6792  -116.2591  451.629  0.0000     0.0000   -116.2591  451.629  ?       ?       18.391  8.6792  0.000000       8.679194  
1 1 1 1   33  0  o 712.283 23.596  276910.31  18203.99 276910.31  18203.99 0.0000     0.0000   712.283 23.596  ?       ?       0.000000       23.59630  
1 1 1 1   33  1  o 57.661  2.4257  1800.70    151.489  2045.38    215.383  1561.16    213.111  61.366  3.2521  53.559  3.6964  7.807083       4.923355  
1 1 1 1   33  2  f 234.316 4.3109  29741.27   1094.05  29257.18   1547.18  30225.40   1547.26  232.369 6.1474  236.185 6.0484  -3.815735      8.624029  
1 1 1 1   33  3  o 371.993 6.3691  74983.79   2566.17  72908.38   3629.25  77058.89   3628.98  366.695 9.1378  377.000 8.8874  -10.30548      12.74696  
1 1 1 1   33  4  f 231.225 4.2695  28962.01   1069.25  28710.27   1512.11  29213.78   1512.19  230.186 6.0651  232.197 6.0128  -2.010803      8.540442  
1 1 1 1   33  5  o 413.338 6.9558  92592.82   3114.03  94887.97   4404.69  90299.30   4403.12  418.280 9.7225  408.026 9.9633  10.25406       13.92100  
1 1 1 1   33  6  o 491.846 8.2428  131153.70  4391.12  128038.10  6210.10  134269.00  6209.88  485.686 11.805  497.390 11.527  -11.70377      16.49951  
1 1 1 1   33  7  o 632.786 10.404  217258.50  7130.47  220544.91  10084.49 213972.59  10083.54 636.968 14.617  627.369 14.840  9.598572       20.82967  
1 1 1 1   33  8  o 619.904 11.850  208670.59  7956.56  217927.50  13781.41 204042.41  9744.67  631.900 20.136  612.549 14.688  19.35138       24.92374  
1 1 1 1   33  9  o 275.338 5.6658  41085.06   1689.66  41275.75   2071.04  40705.48   2921.98  275.928 6.9298  273.866 9.8508  2.062103       12.04408  
1 1 1 1   33  10 o 429.113 7.7423  99879.50   3598.42  103375.30  4714.44  95000.27   5569.68  436.328 9.9758  417.992 12.302  18.33600       15.83879  
1 1 1 1   33  11 o 316.832 6.3637  54432.10   2183.79  58195.04   3783.35  52551.99   2674.26  327.221 10.675  311.202 7.9340  16.01910       13.30045  
1 1 1 1   33  12 o 616.242 11.082  206624.00  7396.54  228557.20  13668.04 197540.91  8795.75  644.937 19.567  601.866 13.493  43.07074       23.76793  
1 1 1 1   33  13 o 274.853 5.6958  40972.50   1695.60  42773.98   2935.80  40070.79   2077.05  280.437 9.6654  271.703 7.0580  8.733521       11.96814  
1 1 1 1   33  14 o 153.942 3.8358  12843.79   639.554  14167.77   1105.77  12178.25   783.989  161.573 6.3187  149.866 4.8299  11.70728       7.953221  
1 1 1 1   33  15 o 138.320 3.2559  10367.97   487.788  10096.52   1061.23  10440.68   549.246  136.134 7.2232  138.793 3.6537  -2.658524      8.094700  
1 1 1 1   33  16 o 371.056 6.9913  74815.41   2809.75  76866.85   5213.56  73975.69   3335.60  374.607 12.850  368.702 8.3527  5.904480       15.32579  
1 1 1 1   33  17 o 171.637 5.0116  15984.67   931.659  16324.66   1316.73  15643.83   1318.40  173.292 7.0153  169.626 7.1761  3.666962       10.03546  
1 1 1 1   33  18 o 76.006  3.2902  3131.40    270.857  3186.64    321.833  2997.28    501.499  76.561  3.8939  74.002  6.3174  2.558838       7.421070  
1 1 1 1   33  19 f 143.297 3.3934  11132.89   526.680  11850.91   1014.87  10868.24   616.146  147.637 6.3467  141.551 4.0188  6.085480       7.512080  
1 1 1 1   33  20 o 295.899 5.5445  47583.70   1776.96  46045.23   3303.51  48210.06   2107.88  289.750 10.526  297.635 6.5387  -7.884705      12.39196  
1 1 1 1   33  21 o 152.603 3.4128  12632.72   564.093  10778.71   1101.06  13292.51   656.841  140.361 7.2675  156.500 3.8750  -16.13820      8.236053  
1 1 1 1   33  22 o 51.987  2.3906  1465.25    134.608  1427.12    156.124  1575.72    265.716  51.218  2.8253  53.635  4.6191  -2.417454      5.414618  
1 1 1 1   33  23 o 24.525  6.7980  339.597    186.842  137.550    336.947  429.308    224.522  22.524  9.0448  27.488  7.3842  -4.964434      11.67624  
1 1 1 1   33  24 o 58.964  3.8254  1900.81    242.984  2439.08    495.465  1730.36    278.816  66.161  7.0215  56.118  4.6284  10.04232       8.409790  
1 1 1 1   33  25 o 70.802  3.6524  2739.32    279.132  2554.35    546.606  2804.58    324.655  67.350  7.6277  71.539  4.2085  -4.189377      8.711693  
1 1 1 1   33  26 o 56.415  4.2256  1751.20    256.322  1438.98    494.652  1865.81    299.698  49.495  9.5734  58.111  4.8047  -8.615711      10.71145  
1 1 1 1   33  27 o 142.688 3.5014  11124.51   541.128  11675.14   1148.62  10967.44   613.471  143.820 7.3988  141.485 4.0033  2.334610       8.412404  
1 1 1 1   33  28 o 48.602  1.9174  1283.48    100.935  1558.93    148.048  1044.26    137.971  53.495  2.5552  43.646  2.9357  9.849270       3.891912  
1 1 1 1   33  29 o 52.421  2.1500  1495.84    122.072  1587.06    133.792  1042.53    298.244  53.978  2.2885  42.382  6.7215  11.59610       7.100390  
1 1 1 1   33  30 o 7.1596  3.1121  -7.1231    44.967   -24.7064   45.588   625.549    273.457  6.5973  2.9832  32.076  7.9187  -25.47902      8.462004  
1 1 1 1   33  31 o 45.455  5.5312  1192.58    266.702  876.472    494.578  1322.19    316.693  35.801  11.359  47.466  6.3169  -11.66508      12.99718  
1 1 1 1   33  32 o 44.604  5.5615  1176.24    262.841  815.763    498.767  1314.84    309.269  32.871  11.434  46.678  6.2763  -13.80645      13.04377  
1 1 1 1   33  33 o 22.621  9.6134  238.385    411.098  0.0000     0.0000   238.385    411.098  ?       ?       22.621  9.6134  0.000000       9.613429  
1 1 1 1   33  34 o 18.114  8.5698  -193.6191  445.249  0.0000     0.0000   -193.6191  445.249  ?       ?       18.114  8.5698  0.000000       8.569773  
1 1 1 1   33  35 o 20.092  9.2180  73.834     455.755  0.0000     0.0000   73.834     455.755  ?       ?       20.092  9.2180  0.000000       9.218005  
1 1 1 1   34  0  o 628.538 14.739  214614.41  10033.97 214614.41  10033.97 0.0000     0.0000   628.538 14.739  ?       ?       0.000000       14.73911  
1 1 1 1   34  1  o 127.084 2.9578  8747.39    407.124  8753.37    576.340  8741.43    575.183  127.120 4.1860  127.033 4.1804  0.8665466E-01  5.915932  
1 1 1 1   34  2  o 481.689 8.0711  125773.10  4210.87  126800.70  5955.39  124745.70  5954.75  483.426 11.374  479.485 11.466  3.940704       16.15051  
1 1 1 1   34  3  o 183.915 3.6381  18321.41   724.709  17880.13   1024.59  18763.21   1025.19  181.667 5.2072  186.101 5.0861  -4.433868      7.278980  
1 1 1 1   34  4  o 515.898 8.5694  144297.09  4788.33  148149.70  6772.10  140445.50  6771.35  522.460 11.967  508.664 12.291  13.79666       17.15454  
1 1 1 1   34  5  f 185.124 3.6530  18563.54   732.451  18798.38   1036.93  18329.68   1034.75  186.272 5.1396  183.935 5.1940  2.337585       7.307096  
1 1 1 1   34  6  o 109.415 2.7575  6484.05    326.788  6178.01    463.963  6785.34    460.354  106.794 4.0111  111.921 3.7976  -5.127724      5.523678  
1 1 1 1   34  7  o 86.581  2.6427  4060.10    247.818  4311.16    356.616  3825.64    344.626  89.212  3.6907  84.038  3.7862  5.174072       5.287381  
1 1 1 1   34  8  o 88.643  3.7617  4256.50    361.162  3934.82    519.315  4557.81    502.615  85.023  5.6718  91.574  5.0875  -6.551292      7.619236  
1 1 1 1   34  9  o 408.538 7.9569  90524.05   3520.83  92060.44   4313.16  87455.68   6095.34  411.842 9.6693  400.914 14.037  10.92813       17.04509  
1 1 1 1   34  10 o 307.586 5.3355  51276.97   1777.52  50664.86   2514.67  51888.22   2512.92  305.618 7.5968  309.292 7.5014  -3.674011      10.67624  
1 1 1 1   34  11 o 364.155 7.1478  71937.89   2819.23  73158.42   4883.53  71327.81   3452.67  366.617 12.298  362.448 8.7951  4.168304       15.11970  
1 1 1 1   34  12 o 478.477 8.6924  124362.80  4504.74  132724.59  8338.25  120916.30  5353.20  492.623 15.628  471.473 10.483  21.15079       18.81790  
1 1 1 1   34  13 o 201.549 4.4374  22019.88   968.689  24405.01   1680.02  20832.00   1185.62  212.011 7.3162  195.983 5.5854  16.02817       9.204562  
1 1 1 1   34  14 o 221.315 4.7832  26558.73   1146.57  25947.90   1985.21  26864.47   1404.50  218.470 8.3897  222.517 5.8276  -4.047394      10.21506  
1 1 1 1   34  15 o 247.743 4.5526  33282.38   1221.61  37235.17   2440.53  31960.90   1411.12  261.599 8.6135  242.713 5.3679  18.88638       10.14918  
1 1 1 1   34  16 o 295.453 7.4081  47458.03   2370.62  50881.08   3352.63  44035.26   3352.50  305.405 10.135  283.956 10.901  21.44876       14.88446  
1 1 1 1   34  17 o 170.186 4.9917  15715.75   920.121  16290.16   1300.93  15140.79   1301.56  173.110 6.9384  166.867 7.2015  6.242966       10.00017  
1 1 1 1   34  18 o 213.007 4.2968  24610.82   991.314  25061.05   1863.84  24433.21   1170.62  214.520 8.0218  212.168 5.0941  2.351334       9.502569  
1 1 1 1   34  19 o 257.084 5.4502  35900.11   1517.59  36132.98   3709.08  35853.29   1663.18  255.638 13.443  256.838 5.9788  -1.199509      14.71262  
1 1 1 1   34  20 o 258.612 5.0314  36327.78   1409.32  34613.46   2627.71  37020.04   1669.80  251.430 9.6492  260.916 5.9087  -9.486298      11.31459  
1 1 1 1   34  21 o 223.066 4.8857  27043.76   1180.40  27672.35   2814.85  26909.63   1300.24  223.480 11.670  222.424 5.3973  1.055756       12.85728  
1 1 1 1   34  22 o 93.075  3.1160  4700.64    314.124  4905.47    606.492  4625.56    367.216  94.653  5.9461  92.293  3.6735  2.359802       6.989374  
1 1 1 1   34  23 o 52.497  3.8589  1506.70    217.876  1838.77    405.430  1371.86    258.351  57.551  6.6251  49.938  4.8371  7.613045       8.202995  
1 1 1 1   34  24 o 48.364  1.6855  1268.10    88.293   1416.40    130.235  1141.97    120.108  51.087  2.3537  45.804  2.4297  5.282410       3.382800  
1 1 1 1   34  25 o 146.436 3.4625  11681.71   549.177  12035.88   1078.52  11557.74   638.096  147.424 6.7544  145.499 4.0491  1.924728       7.875093  
1 1 1 1   34  26 o 88.166  3.3750  4238.80    322.284  3228.66    629.572  4597.51    375.168  75.464  7.8159  91.741  3.7756  -16.27711      8.680059  
1 1 1 1   34  27 f 33.970  1.3101  625.748    48.202   430.443    68.060   822.298    68.276   28.050  2.2594  38.929  1.6193  -10.87916      2.779764  
1 1 1 1   34  28 o 30.071  1.8157  492.980    58.860   490.797    60.133   542.914    287.615  29.999  1.8599  30.203  8.4567  -0.2033443     8.658757  
1 1 1 1   34  29 o 24.982  2.3368  343.008    62.495   319.407    64.303   744.951    265.371  24.073  2.5028  35.521  7.1452  -11.44785      7.570854  
1 1 1 1   34  30 o 45.025  2.4242  1109.73    117.786  1058.76    128.947  1366.57    289.429  43.914  2.7245  48.948  5.5579  -5.033756      6.189747  
1 1 1 1   34  31 o 45.691  2.1826  1140.33    108.014  1155.08    115.867  1042.44    298.472  45.899  2.3385  41.733  6.8402  4.165684       7.228886  
1 1 1 1   34  32 o 36.236  2.1621  722.432    84.470   0.0000     0.0000   722.432    84.470   ?       ?       36.236  2.1621  0.000000       2.162081  
1 1 1 1   34  33 o 21.125  9.4248  89.878     438.322  0.0000     0.0000   89.878     438.322  ?       ?       21.125  9.4248  0.000000       9.424823  
1 1 1 1   34  34 o 19.757  9.0972  -4.9749    449.456  0.0000     0.0000   -4.9749    449.456  ?       ?       19.757  9.0972  0.000000       9.097199  
1 1 1 1   34  35 o 18.049  8.4786  -103.6352  422.246  0.0000     0.0000   -103.6352  422.246  ?       ?       18.049  8.4786  0.000000       8.478647  
1 1 1 1   35  0  o 266.857 4.7225  38578.18   1364.97  40318.11   1931.10  36840.89   1929.63  272.768 6.5364  260.733 6.8329  12.03513       9.455904  
1 1 1 1   35  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   35  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   35  3  o 735.591 24.376  295696.81  19421.25 295696.81  19421.25 0.0000     0.0000   735.591 24.376  ?       ?       0.000000       24.37645  
1 1 1 1   35  4  o 545.260 9.0485  161216.09  5343.81  161700.50  7557.56  160731.80  7557.02  545.727 12.786  544.086 12.824  1.641357       18.10884  
1 1 1 1   35  5  f 535.639 8.9038  155580.30  5165.57  155705.09  7305.45  155455.59  7305.00  535.502 12.595  535.072 12.605  0.4302979      17.81935  
1 1 1 1   35  6  o 564.916 9.3638  173092.09  5729.38  175119.50  8102.93  171065.00  8102.20  567.786 13.176  561.154 13.331  6.631531       18.74342  
1 1 1 1   35  7  o 769.002 17.886  322220.50  14897.22 310650.00  21067.05 333792.81  21068.64 752.575 25.845  780.450 24.924  -27.87494      35.90547  
1 1 1 1   35  8  o 561.137 10.717  170949.91  6513.36  174834.41  7977.77  163184.20  11279.86 567.143 12.987  546.765 19.047  20.37836       23.05359  
1 1 1 1   35  9  o 213.514 3.9981  24698.47   924.588  24940.94   1309.70  24457.59   1305.44  214.515 5.6370  212.425 5.6739  2.089966       7.998001  
1 1 1 1   35  10 o 333.144 5.7616  60164.25   2078.96  59919.25   2940.69  60409.06   2939.51  332.297 8.1706  333.655 8.1340  -1.358429      11.52913  
1 1 1 1   35  11 o 247.990 4.4418  33328.45   1193.07  33650.78   1687.99  33006.67   1686.54  249.100 6.2564  246.701 6.3118  2.398605       8.887175  
1 1 1 1   35  12 o 78.398  2.4602  3329.39    208.904  3747.96    339.220  3073.67    265.149  83.166  3.7659  75.320  3.2502  7.845932       4.974501  
1 1 1 1   35  13 o 287.223 6.6777  44776.25   2077.38  50798.44   4747.15  43349.86   2310.33  304.693 14.385  282.523 7.5501  22.17038       16.24568  
1 1 1 1   35  14 o 121.257 3.5234  7968.16    462.736  9429.34    795.190  7220.02    568.998  131.838 5.5688  115.397 4.5525  16.44074       7.192795  
1 1 1 1   35  15 o 333.073 9.5581  60435.13   3448.10  59170.52   6160.17  61012.12   4161.02  326.884 17.462  334.219 11.495  -7.334778      20.90604  
1 1 1 1   35  16 o 298.541 7.4744  48461.75   2416.85  48690.19   3414.20  48232.29   3421.71  298.648 10.555  297.224 10.629  1.424286       14.97940  
1 1 1 1   35  17 o 322.565 7.9950  56635.64   2793.22  57164.61   3949.29  56106.18   3951.14  323.255 11.280  320.216 11.392  3.038879       16.03181  
1 1 1 1   35  18 o 262.696 4.7602  37447.75   1354.41  39366.18   2706.25  36806.65   1564.44  268.576 9.3032  260.343 5.5481  8.233032       10.83190  
1 1 1 1   35  19 o 162.654 3.5087  14345.99   618.136  14769.65   1224.10  14200.97   716.151  164.738 6.8605  161.792 4.0867  2.945282       7.985450  
1 1 1 1   35  20 o 82.382  3.1928  3680.07    284.892  2980.17    548.068  3939.21    333.488  73.639  6.9539  85.218  3.6131  -11.57896      7.836505  
1 1 1 1   35  21 o 179.274 3.6840  17442.45   715.338  16885.87   1422.82  17630.73   827.529  175.806 7.4722  180.177 4.2405  -4.370789      8.591570  
1 1 1 1   35  22 f 157.056 3.4799  13393.04   591.956  12815.34   1132.46  13610.23   694.372  153.064 6.8309  158.251 4.0511  -5.186905      7.941877  
1 1 1 1   35  23 o 61.412  3.4470  2056.01    228.348  2272.49    438.189  1975.31    267.549  64.083  6.3987  60.102  4.1352  3.981403       7.618595  
1 1 1 1   35  24 o 40.128  5.1803  895.612    219.893  785.904    432.571  933.841    255.347  36.773  10.397  40.826  5.9496  -4.053028      11.97931  
1 1 1 1   35  25 o 114.644 3.2520  7155.86    403.799  7071.45    797.627  7184.95    468.235  112.870 6.5527  114.772 3.7667  -1.901398      7.558192  
1 1 1 1   35  26 o 105.652 3.1430  6082.60    359.662  5851.64    735.877  6155.09    412.257  102.323 6.6765  106.181 3.5847  -3.857864      7.577936  
1 1 1 1   35  27 o 157.420 3.5213  13547.42   600.382  13847.92   1191.86  13445.24   695.001  156.988 7.0095  156.565 4.0985  0.4235535      8.119776  
1 1 1 1   35  28 o 50.795  2.6645  1410.49    146.078  1278.54    166.682  1847.44    303.309  48.250  3.2078  57.556  4.9125  -9.305832      5.867052  
1 1 1 1   35  29 o 45.611  2.5670  1138.81    126.295  1052.50    138.577  1561.95    306.847  43.768  2.9403  52.539  5.4726  -8.770092      6.212471  
1 1 1 1   35  30 o 39.825  1.6009  861.972    69.054   722.282    99.423   992.162    95.982   36.271  2.5469  42.676  2.0765  -6.404644      3.286183  
1 1 1 1   35  31 o 44.721  2.4407  1098.47    117.773  1030.19    130.222  1405.28    276.028  43.208  2.7976  49.436  5.2347  -6.227642      5.935404  
1 1 1 1   35  32 o 25.290  8.8407  417.303    298.328  0.0000     0.0000   417.303    298.328  ?       ?       25.290  8.8407  0.000000       8.840711  
1 1 1 1   35  33 o 32.824  10.920  853.669    454.097  0.0000     0.0000   853.669    454.097  ?       ?       32.824  10.920  0.000000       10.91987  
1 1 1 1   35  34 o 21.974  9.5165  240.119    417.406  0.0000     0.0000   240.119    417.406  ?       ?       21.974  9.5165  0.000000       9.516524  
1 1 1 1   35  35 o 23.321  9.8507  375.546    427.400  0.0000     0.0000   375.546    427.400  ?       ?       23.321  9.8507  0.000000       9.850701  
1 1 1 1   36  0  f 827.353 27.397  374912.69  24550.86 374912.69  24550.86 0.0000     0.0000   827.353 27.397  ?       ?       0.000000       27.39718  
1 1 1 1   36  1  o 481.856 9.3092  125906.20  4858.47  130960.00  8415.65  123379.70  5950.21  490.821 15.830  476.830 11.521  13.99072       19.57914  
1 1 1 1   36  2  o 292.923 5.1875  46486.47   1645.81  46616.34   2327.88  46356.68   2327.18  293.271 7.3286  292.453 7.3469  0.8185425      10.37715  
1 1 1 1   36  3  o 482.108 8.0929  126002.10  4225.87  123557.50  5976.41  128446.50  5976.16  477.151 11.564  486.519 11.341  -9.368103      16.19717  
1 1 1 1   36  4  o 278.563 4.9700  42039.90   1499.51  41771.92   2120.94  42307.72   2120.30  277.616 7.0536  279.393 7.0067  -1.776306      9.942212  
1 1 1 1   36  5  o 355.420 6.1135  68454.71   2353.42  67419.38   3328.48  69489.75   3328.00  352.605 8.7154  357.985 8.5832  -5.380157      12.23231  
1 1 1 1   36  6  o 522.111 8.6622  147831.59  4898.45  149176.09  6927.87  146487.41  6927.04  524.123 12.204  519.365 12.314  4.757690       17.33702  
1 1 1 1   36  7  o 589.311 11.251  188562.50  7181.39  184856.00  12437.62 190416.09  8795.69  581.929 19.733  591.828 13.722  -9.898438      24.03498  
1 1 1 1   36  8  o 332.870 6.6780  60068.46   2407.65  60459.36   2949.74  59288.23   4167.38  333.864 8.1572  330.345 11.647  3.519012       14.21970  
1 1 1 1   36  9  o 91.617  3.1252  4546.85    310.118  4930.78    385.672  3844.47    521.651  95.401  3.7324  84.019  5.7672  11.38188       6.869652  
1 1 1 1   36  10 o 303.176 5.3114  49822.29   1744.12  49876.07   2467.70  49768.61   2465.42  303.203 7.5143  302.876 7.5155  0.3268738      10.62765  
1 1 1 1   36  11 o 316.598 5.8985  54354.38   2022.65  51389.87   3114.04  56517.76   2660.20  307.535 9.3489  322.695 7.6112  -15.15991      12.05536  
1 1 1 1   36  12 o 42.714  3.0919  993.663    142.077  923.177    292.975  1015.34    162.458  40.685  6.8948  43.145  3.5068  -2.460236      7.735332  
1 1 1 1   36  13 o 463.592 9.0554  116882.90  4546.89  122497.30  7874.43  114074.70  5569.13  472.717 15.380  457.467 11.240  15.25009       19.04910  
1 1 1 1   36  14 o 341.093 9.8685  63367.91   3645.80  63108.97   4393.64  63940.38   6532.82  339.948 11.933  340.015 17.801  -0.6643677E-01 21.43054  
1 1 1 1   36  15 o 445.356 10.683  108225.60  5152.98  108431.10  7287.08  108020.00  7287.77  444.096 15.150  443.240 15.181  0.8560181      21.44676  
1 1 1 1   36  16 o 255.816 6.5968  35554.03   1827.81  37587.19   2584.33  33519.02   2585.50  262.653 9.0844  247.939 9.6278  14.71320       13.23714  
1 1 1 1   36  17 o 185.632 3.8913  18684.36   782.380  18689.09   1483.11  18682.53   920.947  185.358 7.3874  185.578 4.5818  -0.2199707     8.692915  
1 1 1 1   36  18 o 113.714 3.0916  7008.84    380.777  7594.05    731.985  6791.72    445.850  118.241 5.7156  111.918 3.6781  6.322540       6.796811  
1 1 1 1   36  19 o 365.146 6.2918  72512.84   2488.34  75518.95   4974.93  71509.87   2873.63  370.385 12.401  362.341 7.3222  8.044525       14.40154  
1 1 1 1   36  20 o 100.825 3.0689  5511.94    335.138  6048.92    659.654  5325.12    389.095  105.297 5.8064  99.077  3.6259  6.220268       6.845563  
1 1 1 1   36  21 o 56.538  3.6701  1742.23    223.529  1310.29    428.363  1903.86    262.034  48.209  8.5152  59.066  4.1217  -10.85706      9.460260  
1 1 1 1   36  22 o 35.848  5.2597  714.936    198.141  492.401    362.460  809.779    236.627  30.200  9.7392  38.075  5.9310  -7.875786      11.40303  
1 1 1 1   36  23 o 140.652 3.2676  10749.49   497.789  10247.40   976.862  10925.59   578.540  136.627 6.6013  141.722 3.7690  -5.094696      7.601449  
1 1 1 1   36  24 o 58.943  3.7356  1899.98    237.251  1559.40    490.017  2004.27    271.151  52.110  9.0079  60.475  4.1650  -8.365681      9.924217  
1 1 1 1   36  25 o 43.007  2.3075  1007.26    107.090  1448.17    450.612  980.871    110.249  50.130  8.6093  42.427  2.4091  7.703236       8.940042  
1 1 1 1   36  26 o 42.359  5.0657  1001.26    227.802  804.399    448.905  1069.54    264.371  36.713  10.660  43.626  5.7339  -6.912903      12.10396  
1 1 1 1   36  27 o 33.242  1.4056  599.358    50.607   315.871    431.592  603.310    50.959   26.945  10.413  33.351  1.4107  -6.405899      10.50835  
1 1 1 1   36  28 o ?       ?       -164.5836  33.990   0.0000     0.0000   -164.5836  33.990   ?       ?       ?       ?       0.000000       ?         
1 1 1 1   36  29 o 45.070  2.2507  1106.74    109.868  1100.38    118.557  1145.42    292.384  44.850  2.4499  44.599  6.2222  0.2506599      6.687156  
1 1 1 1   36  30 o 84.657  3.0133  3931.56    276.293  3282.04    407.874  4482.33    375.593  76.375  4.9575  90.027  3.8519  -13.65260      6.278019  
1 1 1 1   36  31 o 29.506  1.3858  473.308    44.289   480.017    44.912   236.448    266.858  29.714  1.3955  21.548  8.2233  8.165972       8.340824  
1 1 1 1   36  32 o 40.311  7.2062  1024.38    303.085  0.0000     0.0000   1024.38    303.085  ?       ?       40.311  7.2062  0.000000       7.206231  
1 1 1 1   36  33 o 25.581  10.082  446.191    411.085  0.0000     0.0000   446.191    411.085  ?       ?       25.581  10.082  0.000000       10.08209  
1 1 1 1   36  34 o 20.361  9.1200  111.033    414.806  0.0000     0.0000   111.033    414.806  ?       ?       20.361  9.1200  0.000000       9.119968  
1 1 1 1   36  35 o 22.839  9.9239  327.371    456.906  0.0000     0.0000   327.371    456.906  ?       ?       22.839  9.9239  0.000000       9.923882  
1 1 1 1   37  0  o 602.066 9.9357  196606.91  6479.07  201100.80  9163.33  192114.00  9162.26  608.459 13.904  594.666 14.225  13.79279       19.89193  
1 1 1 1   37  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   37  2  o 253.648 4.5825  34853.81   1258.95  35265.07   1780.89  34442.98   1779.95  255.099 6.4455  252.106 6.5186  2.992828       9.167171  
1 1 1 1   37  3  o 428.718 7.2570  99623.09   3369.77  99267.95   4765.81  99978.16   4765.34  427.767 10.286  429.297 10.249  -1.530243      14.52041  
1 1 1 1   37  4  o 236.444 4.3258  30285.66   1107.81  30017.54   1566.67  30553.78   1566.69  235.357 6.1458  237.451 6.0917  -2.094254      8.653316  
1 1 1 1   37  5  o 758.625 25.178  315235.81  20688.14 315235.81  20688.14 0.0000     0.0000   758.625 25.178  ?       ?       0.000000       25.17817  
1 1 1 1   37  6  f 458.628 8.8891  114086.20  4415.58  112302.10  7646.61  114978.80  5408.44  454.305 15.540  460.244 10.850  -5.938721      18.95273  
1 1 1 1   37  7  f 431.134 10.313  100898.60  4816.01  103661.30  6810.56  98135.48   6811.16  436.509 14.405  424.660 14.808  11.84885       20.65914  
1 1 1 1   37  8  o 649.618 12.324  229423.50  8671.39  235675.41  10620.66 216922.50  15018.11 657.822 14.906  629.005 22.044  28.81689       26.61090  
1 1 1 1   37  9  o 191.975 3.7328  19966.65   776.154  19950.56   1099.68  19982.62   1095.63  191.857 5.2919  192.012 5.2682  -0.1547546     7.467197  
1 1 1 1   37  10 o 184.919 3.5743  18526.43   715.876  18783.96   1015.27  18271.79   1009.55  186.159 5.0353  183.602 5.0767  2.556808       7.150343  
1 1 1 1   37  11 o 169.301 3.4495  15529.99   632.545  14837.79   895.875  16218.11   893.239  165.441 4.9996  172.973 4.7678  -7.532135      6.908520  
1 1 1 1   37  12 o 277.175 5.7091  41669.54   1713.92  41363.93   2967.47  41822.51   2099.51  275.724 9.9367  277.576 6.9834  -1.852264      12.14517  
1 1 1 1   37  13 o 263.632 9.6366  37826.12   2751.65  38785.21   3891.42  36867.01   3891.42  265.975 13.553  259.213 13.911  6.762726       19.42199  
1 1 1 1   37  14 o 563.539 15.965  174666.50  9744.49  174469.20  11598.46 175140.09  17967.17 561.380 19.075  552.861 30.119  8.519226       35.65104  
1 1 1 1   37  15 o 218.755 6.6400  25993.41   1573.25  26201.90   1952.06  25607.01   2657.52  219.456 8.2125  216.202 11.389  3.254700       14.04111  
1 1 1 1   37  16 o 143.157 3.2135  11107.16   498.270  11865.52   995.427  10853.62   575.568  147.807 6.2179  141.494 3.7557  6.313080       7.264122  
1 1 1 1   37  17 o 137.412 3.1890  10234.26   474.625  9700.58    938.358  10417.74   550.195  133.606 6.4845  138.620 3.6646  -5.014206      7.448292  
1 1 1 1   37  18 o 177.052 3.6378  16997.54   697.600  17567.25   1386.96  16804.61   807.124  179.676 7.1269  176.005 4.2339  3.670746       8.289712  
1 1 1 1   37  19 o 251.600 4.6364  34362.40   1263.47  35980.52   2524.91  33821.87   1459.32  256.602 9.0848  249.509 5.4000  7.092621       10.56855  
1 1 1 1   37  20 o 163.698 3.4941  14535.87   619.510  14232.83   1231.55  14638.53   716.803  161.577 7.0373  164.230 4.0297  -2.653610      8.109380  
1 1 1 1   37  21 o 197.504 3.8859  21180.88   831.262  21722.50   1658.04  20999.04   960.727  199.247 7.6831  196.564 4.5126  2.683075       8.910268  
1 1 1 1   37  22 o 148.496 3.3561  11974.40   539.779  11209.49   1062.91  12240.21   626.588  143.059 6.8598  150.070 3.8549  -7.011520      7.868770  
1 1 1 1   37  23 o 91.638  2.8436  4559.94    282.242  4580.02    471.811  4548.75    352.213  91.495  4.7776  91.457  3.5556  0.3799438E-01  5.955519  
1 1 1 1   37  24 o 65.440  3.7032  2340.31    261.400  2725.78    514.326  2206.06    303.524  69.913  6.8813  63.401  4.4482  6.512646       8.193864  
1 1 1 1   37  25 o 89.543  2.9560  4362.33    286.681  3989.82    448.016  4620.61    373.057  85.162  4.8774  92.027  3.7427  -6.865608      6.147939  
1 1 1 1   37  26 o 92.218  3.2362  4637.73    323.237  4836.19    647.792  4571.93    372.989  92.999  6.4714  91.449  3.7657  1.550392       7.487319  
1 1 1 1   37  27 o 112.278 3.1602  6881.94    384.312  7398.23    786.909  6720.23    440.406  114.872 6.3494  110.797 3.6699  4.074669       7.333660  
1 1 1 1   37  28 f 29.320  2.3928  471.296    75.325   431.283    78.577   924.912    264.569  28.004  2.6212  40.110  6.2975  -12.10623      6.821173  
1 1 1 1   37  29 o 27.409  1.8680  410.451    55.123   405.325    56.165   544.794    287.534  27.230  1.9166  29.951  8.4800  -2.720448      8.693847  
1 1 1 1   37  30 o 49.750  4.4336  1389.22    236.397  1109.95    385.280  1557.84    299.374  42.380  8.6854  52.295  5.3613  -9.915428      10.20686  
1 1 1 1   37  31 o 55.207  2.5487  1673.06    152.399  1664.37    176.185  1698.90    303.716  54.853  2.9767  54.262  5.2326  0.5903053      6.020007  
1 1 1 1   37  32 o 32.162  10.047  747.828    388.342  0.0000     0.0000   747.828    388.342  ?       ?       32.162  10.047  0.000000       10.04650  
1 1 1 1   37  33 o 42.776  9.4228  1302.08    424.776  0.0000     0.0000   1302.08    424.776  ?       ?       42.776  9.4228  0.000000       9.422850  
1 1 1 1   37  34 o 38.542  10.712  1212.98    463.275  0.0000     0.0000   1212.98    463.275  ?       ?       38.542  10.712  0.000000       10.71202  
1 1 1 1   37  35 o 23.547  10.036  386.403    450.453  0.0000     0.0000   386.403    450.453  ?       ?       23.547  10.036  0.000000       10.03614  
1 1 1 1   38  0  o 694.354 13.187  261835.80  9917.29  262865.09  12146.69 259777.80  17175.76 695.230 16.131  689.636 22.995  5.594116       28.08840  
1 1 1 1   38  1  o 492.845 8.1894  131685.30  4371.54  134280.30  6182.88  129091.30  6181.69  497.414 11.476  487.688 11.703  9.726440       16.39100  
1 1 1 1   38  2  o 718.721 23.841  282393.31  18558.99 282393.31  18558.99 0.0000     0.0000   718.721 23.841  ?       ?       0.000000       23.84097  
1 1 1 1   38  3  o 239.264 4.4024  31012.69   1140.89  30267.66   1613.68  31757.30   1613.23  236.331 6.3041  242.081 6.1527  -5.749680      8.808961  
1 1 1 1   38  4  o 723.126 24.005  286108.00  18801.47 286108.00  18801.47 0.0000     0.0000   723.126 24.005  ?       ?       0.000000       24.00532  
1 1 1 1   38  5  o 465.226 7.8359  117348.80  3948.43  116477.50  5584.88  118219.40  5582.98  463.219 11.132  466.678 11.045  -3.459442      15.68156  
1 1 1 1   38  6  o 337.954 6.7315  61911.65   2463.99  59894.13   4266.17  62921.53   3018.31  332.068 11.862  340.622 8.1813  -8.554047      14.40937  
1 1 1 1   38  7  o 334.310 6.6058  60588.93   2391.92  61298.00   2930.61  59174.02   4139.76  336.175 8.0486  330.025 11.581  6.149841       14.10345  
1 1 1 1   38  8  o 417.907 7.0487  94708.41   3190.51  97393.10   4512.75  92025.38   4511.36  423.517 9.8379  411.649 10.118  11.86765       14.11259  
1 1 1 1   38  9  o 153.083 3.2130  12695.02   532.738  12635.97   756.157  12753.21   750.685  152.701 4.5719  153.409 4.5179  -0.7079315     6.427595  
1 1 1 1   38  10 o 244.034 4.8579  32278.93   1284.02  31811.42   1702.27  32896.05   1955.77  242.178 6.4897  246.220 7.3337  -4.041290      9.792812  
1 1 1 1   38  11 o 259.554 4.9876  36522.65   1402.13  37535.50   1856.28  35177.05   2139.59  263.029 6.5158  254.534 7.7609  8.494934       10.13353  
1 1 1 1   38  12 o 536.246 10.358  156553.80  6016.07  156645.09  10419.08 156508.09  7368.53  533.556 18.029  535.456 12.705  -1.900513      22.05635  
1 1 1 1   38  13 o 512.354 12.181  143325.80  6759.70  144051.70  9559.26  142599.70  9560.05  511.564 17.253  508.936 17.343  2.628113       24.46294  
1 1 1 1   38  14 o 71.399  4.0870  2772.67    314.748  2910.18    439.146  2627.41    451.346  73.021  5.5951  69.309  6.0737  3.711670       8.257996  
1 1 1 1   38  15 o 82.050  2.9083  3648.01    258.456  3702.19    507.714  3629.06    300.274  82.390  5.7250  81.828  3.3880  0.5617447      6.652424  
1 1 1 1   38  16 o 201.410 4.1748  21998.04   910.718  23805.31   1716.99  21290.54   1074.29  209.201 7.5777  198.087 5.0072  11.11348       9.082582  
1 1 1 1   38  17 o 240.398 4.4652  31349.57   1162.62  33113.36   2321.83  30759.33   1343.14  246.490 8.6969  238.052 5.2093  8.438095       10.13766  
1 1 1 1   38  18 o 192.555 3.8141  20107.77   795.458  20678.42   1587.87  19916.58   919.105  194.869 7.5232  191.590 4.4292  3.279358       8.730163  
1 1 1 1   38  19 o 196.836 4.0356  21020.83   860.377  21274.41   1622.04  20921.54   1014.92  197.562 7.5803  196.299 4.7736  1.262695       8.958148  
1 1 1 1   38  20 o 271.151 5.6212  39994.23   1650.86  38722.45   4061.46  40245.93   1806.86  263.272 14.297  271.888 6.1357  -8.615540      15.55779  
1 1 1 1   38  21 o 165.845 3.6351  14931.82   652.958  14928.95   1250.03  14932.89   765.729  165.286 6.9825  165.775 4.2647  -0.4892426     8.181886  
1 1 1 1   38  22 o 154.155 3.4930  12909.36   583.209  11868.29   1297.84  13172.78   652.836  146.565 8.2087  155.664 3.8721  -9.099335      9.076075  
1 1 1 1   38  23 o 165.156 3.5145  14835.18   628.680  16050.90   1269.06  14439.79   723.726  170.767 6.8613  162.814 4.1040  7.952774       7.995049  
1 1 1 1   38  24 o 106.678 3.0287  6188.53    349.946  6704.58    738.385  6039.04    397.412  110.144 6.2148  105.312 3.4841  4.832558       7.124815  
1 1 1 1   38  25 o 84.454  2.8876  3880.40    264.137  4224.38    396.045  3604.81    354.491  87.902  4.1598  81.224  4.0295  6.677879       5.791453  
1 1 1 1   38  26 o 61.809  2.3672  2076.79    158.470  1474.45    490.829  2146.89    167.437  50.002  9.4082  62.833  2.4603  -12.83099      9.724615  
1 1 1 1   38  27 o 62.058  3.8427  2119.03    257.022  1920.03    515.846  2184.75    296.440  57.305  8.5746  62.871  4.3807  -5.565506      9.628795  
1 1 1 1   38  28 o 35.226  1.9450  676.644    73.923   675.219    76.529   696.501    285.728  35.180  2.0169  34.171  7.8810  1.009151       8.135004  
1 1 1 1   38  29 o 52.490  2.5860  1504.47    147.022  1427.06    168.188  1755.25    302.725  50.949  3.0620  55.844  5.0599  -4.894882      5.914296  
1 1 1 1   38  30 o 35.065  1.2721  667.531    48.315   -137.3177  446.560  677.064    48.600   20.401  9.2695  35.315  1.2706  -14.91345      9.356226  
1 1 1 1   38  31 o 52.702  2.0489  1518.11    116.954  1126.15    493.432  1541.44    120.384  39.709  11.062  53.095  2.0934  -13.38646      11.25822  
1 1 1 1   38  32 o 37.062  10.013  988.843    411.436  0.0000     0.0000   988.843    411.436  ?       ?       37.062  10.013  0.000000       10.01271  
1 1 1 1   38  33 o 24.963  10.051  413.574    417.298  0.0000     0.0000   413.574    417.298  ?       ?       24.963  10.051  0.000000       10.05110  
1 1 1 1   38  34 o 21.487  9.4428  206.295    424.005  0.0000     0.0000   206.295    424.005  ?       ?       21.487  9.4428  0.000000       9.442754  
1 1 1 1   38  35 o 25.026  9.9639  489.182    405.298  0.0000     0.0000   489.182    405.298  ?       ?       25.026  9.9639  0.000000       9.963900  
1 1 1 1   39  0  o 352.427 6.5097  67311.80   2484.86  67332.95   3834.64  67296.49   3262.52  352.307 10.049  352.295 8.5502  0.1202393E-01  13.19443  
1 1 1 1   39  1  o 462.933 7.7310  116177.20  3876.37  116106.00  5482.44  116248.40  5481.58  462.554 10.943  462.838 10.935  -0.2843323     15.46995  
1 1 1 1   39  2  o 447.174 7.5019  108397.80  3633.44  109762.20  5138.90  107033.90  5138.02  449.764 10.549  444.129 10.681  5.635834       15.01233  
1 1 1 1   39  3  o 368.268 6.2862  73498.26   2507.41  69580.81   3546.03  77415.60   3545.99  358.177 9.1406  377.833 8.6650  -19.65640      12.59494  
1 1 1 1   39  4  o 690.381 11.329  258749.00  8471.59  265291.50  11981.33 252208.00  11979.95 698.241 15.843  680.722 16.249  17.51947       22.69378  
1 1 1 1   39  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   39  6  o 479.046 11.390  124649.10  5909.64  128079.50  8356.90  121217.70  8358.07  484.906 15.912  471.660 16.361  13.24622       22.82239  
1 1 1 1   39  7  o 475.660 9.1164  122791.00  4696.68  125323.50  5752.59  117728.00  8133.85  480.297 11.058  464.683 16.161  15.61411       19.58220  
1 1 1 1   39  8  o 270.094 4.8156  39533.50   1408.77  39030.03   1992.73  40036.54   1991.87  268.275 6.8580  271.717 6.7682  -3.441986      9.635406  
1 1 1 1   39  9  o 300.451 5.7015  48939.82   1855.37  50137.80   2444.23  47311.03   2850.04  303.990 7.4236  295.176 8.9146  8.814667       11.60080  
1 1 1 1   39  10 o 96.859  2.7718  5082.19    290.785  5642.06    423.946  4584.79    399.598  102.041 3.8359  91.982  4.0110  10.05875       5.549960  
1 1 1 1   39  11 o 105.610 2.9514  6042.59    337.603  6025.10    489.423  6058.48    466.299  105.434 4.2858  105.730 4.0719  -0.2959900     5.911743  
1 1 1 1   39  12 o 248.130 7.4498  33437.21   2002.13  33032.37   2453.93  34243.28   3462.64  246.441 9.1934  250.089 12.826  -3.647934      15.78088  
1 1 1 1   39  13 f 573.900 13.596  180267.41  8451.33  181318.41  11951.71 179216.20  11952.26 572.532 19.273  569.131 19.390  3.400574       27.33901  
1 1 1 1   39  14 o 131.277 3.5409  9340.51    503.465  9524.73    867.688  9247.00    618.167  132.463 6.0478  130.591 4.3704  1.872162       7.461667  
1 1 1 1   39  15 o 408.823 6.9512  90824.20   3077.96  95980.36   6156.90  89106.20   3553.94  418.249 13.591  404.688 8.1081  13.56076       15.82600  
1 1 1 1   39  16 o 356.367 6.1600  68979.54   2377.66  72126.13   4754.74  67930.34   2745.60  362.875 12.098  353.461 7.1718  9.414734       14.06364  
1 1 1 1   39  17 o 249.040 4.5666  33648.41   1231.79  35740.55   2460.92  32949.03   1422.86  256.022 8.8746  246.357 5.3324  9.665344       10.35343  
1 1 1 1   39  18 o 125.590 3.0936  8550.11    420.813  8421.23    809.963  8597.76    492.500  124.472 6.0079  125.917 3.6112  -1.444855      7.009672  
1 1 1 1   39  19 o 145.995 3.3261  11558.05   525.945  12043.81   1042.10  11392.02   609.229  148.760 6.4678  144.908 3.8817  3.852142       7.543161  
1 1 1 1   39  20 o 99.369  3.0589  5354.82    329.220  5358.94    640.109  5353.34    383.886  99.033  5.9959  99.330  3.5682  -0.2972260     6.977336  
1 1 1 1   39  21 o 149.996 3.3422  12211.28   542.976  11506.39   1075.29  12452.53   629.068  145.091 6.8425  151.417 3.8358  -6.326065      7.844275  
1 1 1 1   39  22 f 226.766 4.4625  27997.65   1096.03  26768.26   2056.97  28485.08   1295.22  220.126 8.6275  228.502 5.2334  -8.375534      10.09071  
1 1 1 1   39  23 o 12.967  5.8262  -80.2868   170.678  279.468    393.202  -163.8077  189.457  26.191  9.9850  12.540  5.8206  13.65144       11.55768  
1 1 1 1   39  24 o 62.583  3.6774  2141.68    248.173  1795.71    505.428  2251.59    284.880  56.044  8.6012  64.096  4.1255  -8.051952      9.539434  
1 1 1 1   39  25 o 67.088  3.5747  2461.97    258.813  2556.66    520.475  2430.87    298.309  67.356  7.2484  66.545  4.1598  0.8117294      8.357224  
1 1 1 1   39  26 f 32.628  6.2240  610.325    211.929  337.339    431.664  697.023    243.265  27.436  10.461  34.797  6.6977  -7.360964      12.42177  
1 1 1 1   39  27 o 100.189 3.3210  5487.28    360.383  5259.37    708.658  5566.78    418.545  96.429  6.8293  100.755 3.8354  -4.325668      7.832592  
1 1 1 1   39  28 o 34.334  1.5850  640.092    58.943   528.513    83.932   748.676    82.797   31.037  2.5185  37.041  2.0721  -6.004505      3.261358  
1 1 1 1   39  29 o 4.3380  2.0955  -47.5579   29.776   -51.2918   29.952   267.186    275.000  4.2654  2.0702  22.919  8.4295  -18.65347      8.679964  
1 1 1 1   39  30 o 28.506  1.9521  444.769    59.909   474.483    451.177  444.235    60.445   28.641  10.746  28.486  1.9712  0.1551094      10.92556  
1 1 1 1   39  31 o 21.362  7.6126  263.009    222.056  29.910     444.763  340.405    256.283  21.363  9.5152  23.627  8.1978  -2.264252      12.55954  
1 1 1 1   39  32 o 28.074  9.5828  551.110    349.677  0.0000     0.0000   551.110    349.677  ?       ?       28.074  9.5828  0.000000       9.582760  
1 1 1 1   39  33 o 24.754  9.7876  413.371    388.587  0.0000     0.0000   413.371    388.587  ?       ?       24.754  9.7876  0.000000       9.787553  
1 1 1 1   39  34 o 18.860  8.5808  25.626     384.316  0.0000     0.0000   25.626     384.316  ?       ?       18.860  8.5808  0.000000       8.580797  
1 1 1 1   40  0  o 188.917 3.6700  19332.57   750.946  19700.30   1063.17  18966.45   1060.83  190.684 5.1478  187.097 5.2349  3.586807       7.341922  
1 1 1 1   40  1  o 291.502 5.1543  46039.58   1627.34  46013.40   2301.83  46065.74   2300.98  291.349 7.2944  291.515 7.2875  -0.1659241     10.31100  
1 1 1 1   40  2  o 279.177 4.9769  42227.82   1504.91  41701.50   2128.50  42753.91   2128.02  277.366 7.0851  280.848 6.9958  -3.481415      9.956903  
1 1 1 1   40  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 1   40  4  o 410.679 6.8552  91425.37   3049.25  97773.67   4313.56  85084.53   4311.02  424.519 9.3814  395.962 10.052  28.55728       13.74976  
1 1 1 1   40  5  o 670.500 12.690  244349.50  9216.11  226892.50  15961.40 253080.20  11287.87 643.485 22.901  681.818 15.285  -38.33344      27.53388  
1 1 1 1   40  6  o 569.590 10.878  176216.59  6711.19  178848.20  8219.75  170954.41  11623.43 573.422 13.235  559.284 19.188  14.13788       23.30966  
1 1 1 1   40  7  o 398.802 6.7901  86240.27   2932.93  86348.01   4148.19  86132.58   4147.38  398.795 9.6037  398.296 9.6139  0.4989014      13.58886  
1 1 1 1   40  8  f 244.083 4.4160  32283.43   1167.46  30851.55   1651.69  33713.01   1650.37  238.528 6.3932  249.359 6.1106  -10.83020      8.843821  
1 1 1 1   40  9  o 356.883 6.1327  69069.09   2370.53  67105.27   3353.01  71031.55   3351.85  351.519 8.8068  361.685 8.5563  -10.16574      12.27879  
1 1 1 1   40  10 o 494.947 8.2522  133044.20  4423.83  132638.30  6257.61  133449.70  6254.87  493.481 11.708  494.998 11.667  -1.516998      16.52808  
1 1 1 1   40  11 o 231.772 6.0776  29142.56   1525.69  29789.79   2162.43  28501.02   2152.91  234.132 8.5273  228.997 8.6801  5.134827       12.16794  
1 1 1 1   40  12 o 63.410  4.0318  2188.18    275.466  1900.11    380.944  2503.90    398.805  58.867  6.0614  67.722  5.4841  -8.855206      8.174148  
1 1 1 1   40  13 o 267.406 6.8181  38832.41   1974.72  39470.43   2791.45  38193.26   2793.92  269.230 9.5727  264.813 9.7410  4.417358       13.65741  
1 1 1 1   40  14 o 179.400 3.8736  17446.89   752.683  18586.67   1421.81  17003.09   887.199  184.950 7.0977  177.066 4.6261  7.884308       8.472174  
1 1 1 1   40  15 o 53.983  3.2410  1585.07    188.623  1586.51    350.868  1584.49    223.697  53.705  6.1425  53.924  3.8555  -0.2198601     7.252227  
1 1 1 1   40  16 o 220.002 4.1570  26247.76   990.555  26080.84   1980.87  26303.42   1143.84  218.845 8.3570  220.185 4.7963  -1.340637      9.635537  
1 1 1 1   40  17 o 242.079 5.1560  31811.70   1351.89  30819.11   3278.94  32014.97   1483.88  236.479 12.850  242.794 5.6427  -6.315475      14.03441  
1 1 1 1   40  18 o 219.964 4.1664  26249.86   992.620  27361.63   1984.20  25878.76   1146.38  224.000 8.1784  218.335 4.8477  5.665451       9.507176  
1 1 1 1   40  19 o 116.941 3.0990  7414.67    392.516  7114.07    772.950  7519.12    455.637  114.164 6.2751  117.738 3.5730  -3.574242      7.221035  
1 1 1 1   40  20 o 113.414 3.0795  6976.19    378.280  6687.24    742.244  7077.58    439.663  110.614 6.2206  114.206 3.5543  -3.592155      7.164428  
1 1 1 1   40  21 o 46.722  3.8834  1194.10    194.741  1252.72    367.964  1171.29    229.519  47.268  7.4327  46.169  4.6532  1.098408       8.769154  
1 1 1 1   40  22 o 128.023 3.1592  8901.43    438.061  9329.34    867.544  8754.99    507.513  130.546 6.1356  126.899 3.6925  3.647575       7.161015  
1 1 1 1   40  23 o 88.078  2.8290  4214.25    269.883  4190.23    615.633  4219.96    300.274  87.001  6.5820  88.106  3.1466  -1.105133      7.295430  
1 1 1 1   40  24 o 120.216 3.2458  7866.11    422.619  8054.42    841.181  7802.52    488.787  120.584 6.4642  119.623 3.7726  0.9614563      7.484491  
1 1 1 1   40  25 o 52.747  4.2488  1532.32    240.677  1622.48    475.737  1501.30    279.017  53.010  8.5791  52.038  5.0124  0.9719429      9.936041  
1 1 1 1   40  26 o 86.937  3.3677  4126.23    317.112  4172.88    626.891  4110.19    367.614  86.139  6.7739  86.645  3.9172  -0.5056458     7.825003  
1 1 1 1   40  27 o 107.967 3.0918  6365.91    361.555  6069.79    761.813  6452.00    410.763  103.566 6.8297  108.569 3.4931  -5.003105      7.671199  
1 1 1 1   40  28 o 59.916  3.9451  1984.69    254.586  2186.67    419.987  1867.36    320.101  61.935  6.3506  57.685  5.1785  4.250793       8.194334  
1 1 1 1   40  29 o 50.148  2.3818  1371.73    129.371  1371.42    144.055  1373.03    294.117  50.028  2.6682  49.091  5.6336  0.9369469      6.233534  
1 1 1 1   40  30 o 32.894  7.1487  655.898    247.414  791.608    458.509  600.151    293.870  34.459  10.937  30.925  8.5071  3.533693       13.85623  
1 1 1 1   40  31 o 18.584  2.0046  190.985    39.710   0.0000     0.0000   190.985    39.710   ?       ?       18.584  2.0046  0.000000       2.004562  
1 1 1 1   40  32 o 16.119  7.6308  -259.4924  354.090  0.0000     0.0000   -259.4924  354.090  ?       ?       16.119  7.6308  0.000000       7.630850  
1 1 1 1   40  33 o 17.613  8.1702  -108.9821  372.411  0.0000     0.0000   -108.9821  372.411  ?       ?       17.613  8.1702  0.000000       8.170209  
1 1 1 1   40  34 f 36.769  10.040  1070.00    411.115  0.0000     0.0000   1070.00    411.115  ?       ?       36.769  10.040  0.000000       10.04045  
1 1 1 1   41  0  o 290.708 5.1219  45790.40   1612.71  47604.86   2281.51  43978.47   2279.92  296.343 7.1082  284.821 7.3906  11.52200       10.25409  
1 1 1 1   41  1  o 244.199 4.4696  32307.01   1182.17  32053.66   1672.65  32559.86   1671.03  243.191 6.3502  245.106 6.2945  -1.914413      8.941193  
1 1 1 1   41  2  o 498.036 8.3208  134512.70  4488.45  135682.20  6348.12  133343.70  6347.14  499.855 11.725  495.517 11.826  4.338013       16.65377  
1 1 1 1   41  3  o 524.091 8.5950  148980.00  4878.94  152874.80  6900.71  145087.00  6899.00  530.507 12.010  516.776 12.326  13.73102       17.20924  
1 1 1 1   41  4  o 384.454 7.5748  80147.40   3154.16  81284.20   5462.64  79578.84   3863.23  386.681 13.043  382.961 9.3138  3.719482       16.02710  
1 1 1 1   41  5  o 343.942 6.8176  64136.53   2539.74  62075.11   4397.22  65168.46   3111.15  337.965 12.013  346.603 8.2874  -8.639008      14.59395  
1 1 1 1   41  6  o 96.698  3.1232  5065.12    327.107  5052.02    403.424  5090.25    558.882  96.566  3.8571  96.765  5.3533  -0.1989975     6.598135  
1 1 1 1   41  7  o 582.635 9.6234  184346.00  6072.88  186635.09  8588.71  182057.41  8587.98  585.450 13.545  578.186 13.714  7.263977       19.27491  
1 1 1 1   41  8  o 196.808 3.7942  20986.37   808.787  21240.47   1143.75  20732.22   1143.84  197.949 5.3347  195.564 5.4002  2.384933       7.590833  
1 1 1 1   41  9  o 161.007 3.3793  14044.95   589.302  14455.31   833.414  13634.61   833.384  163.308 4.7118  158.600 4.8515  4.707703       6.762941  
1 1 1 1   41  10 f 90.476  3.5640  4435.56    349.254  4771.68    551.616  4210.67    451.214  93.646  5.4622  88.005  4.7514  5.641724       7.239520  
1 1 1 1   41  11 o 258.948 7.6524  36418.27   2146.25  36600.59   2624.99  36050.62   3727.71  259.411 9.3426  256.519 13.464  2.892548       16.38792  
1 1 1 1   41  12 o 94.071  3.9719  4796.58    404.696  4524.98    570.066  5072.52    574.615  91.141  5.8051  96.544  5.5181  -5.402985      8.009286  
1 1 1 1   41  13 o 92.856  3.6187  4673.17    363.939  4709.32    557.222  4646.27    480.609  92.998  5.5574  92.434  4.8172  0.5637665      7.354627  
1 1 1 1   41  14 o 153.211 3.2973  12721.50   547.168  13342.33   1090.46  12512.58   632.566  156.743 6.4232  151.927 3.8441  4.815857       7.485650  
1 1 1 1   41  15 o 96.220  2.7853  5016.70    290.269  5104.64    589.525  4988.56    333.497  96.809  5.6468  95.940  3.2094  0.8685608      6.495146  
1 1 1 1   41  16 o 122.141 3.0388  8085.20    402.009  8863.03    799.635  7822.10    465.052  127.757 5.7788  120.120 3.5745  7.636475       6.794955  
1 1 1 1   41  17 o 212.306 4.0504  24447.10   931.394  25551.67   1862.69  24078.85   1075.50  216.582 7.9405  210.645 4.7140  5.937393       9.234361  
1 1 1 1   41  18 o 150.059 3.3272  12208.89   540.761  12523.04   1079.31  12103.60   624.846  151.720 6.5680  149.380 3.8620  2.339294       7.619273  
1 1 1 1   41  19 o 126.768 3.1885  8714.27    437.793  8374.32    893.564  8821.64    502.197  123.815 6.6880  127.521 3.6360  -3.705818      7.612467  
1 1 1 1   41  20 o 255.937 4.9448  35618.70   1370.72  35107.87   2559.58  35824.10   1623.08  252.773 9.3491  256.467 5.8430  -3.693771      11.02480  
1 1 1 1   41  21 o 57.792  3.4063  1819.73    212.271  1485.92    404.942  1946.21    249.264  51.542  7.4715  59.722  3.8744  -8.179962      8.416356  
1 1 1 1   41  22 o 132.655 3.1705  9559.27    455.529  9210.05    899.159  9679.84    528.350  129.597 6.4058  133.421 3.6562  -3.824463      7.375738  
1 1 1 1   41  23 o 90.496  3.2291  4453.74    316.502  5022.61    629.641  4261.40    366.120  95.396  6.1262  88.446  3.8218  6.950142       7.220608  
1 1 1 1   41  24 o 128.801 3.1968  9029.55    445.978  8416.26    864.899  9251.68    520.513  123.223 6.5034  130.268 3.6891  -7.044373      7.476919  
1 1 1 1   41  25 o 49.974  4.2324  1376.82    226.934  2005.44    470.915  1186.68    258.990  59.420  7.4831  46.132  5.2783  13.28779       9.157341  
1 1 1 1   41  26 o 87.235  2.8872  4146.46    272.796  4070.85    626.823  4164.13    302.995  84.991  6.8680  87.360  3.2022  -2.368973      7.577856  
1 1 1 1   41  27 o 24.765  7.4999  353.586    218.484  770.370    431.617  209.999    253.339  35.512  10.493  21.475  8.0535  14.03766       13.22736  
1 1 1 1   41  28 o 72.553  3.6679  2900.23    287.294  2932.54    563.015  2888.86    334.059  71.136  7.4164  72.183  4.2922  -1.047676      8.568915  
1 1 1 1   41  29 o ?       ?       -213.4981  31.647   267.836    430.396  -216.1147  31.733   25.439  10.220  ?       ?       0.000000       10.21996  
1 1 1 1   41  30 o 20.197  7.6419  198.538    229.225  115.842    443.072  228.761    267.858  22.964  9.8747  21.580  8.2379  1.383755       12.85973  
1 1 1 1   41  31 o 30.147  8.0138  592.323    266.166  0.0000     0.0000   592.323    266.166  ?       ?       30.147  8.0138  0.000000       8.013786  
1 1 1 1   41  32 o 47.802  8.1825  1499.20    408.411  0.0000     0.0000   1499.20    408.411  ?       ?       47.802  8.1825  0.000000       8.182459  
1 1 1 1   41  33 o 26.872  10.098  541.972    398.647  0.0000     0.0000   541.972    398.647  ?       ?       26.872  10.098  0.000000       10.09760  
1 1 1 1   41  34 o 27.714  10.495  639.650    432.556  0.0000     0.0000   639.650    432.556  ?       ?       27.714  10.495  0.000000       10.49490  
1 1 1 1   42  0  o 190.076 3.7081  19571.26   763.391  19856.44   1080.91  19287.47   1078.29  191.429 5.2133  188.665 5.2769  2.763870       7.417791  
1 1 1 1   42  1  o 276.400 4.8825  41393.79   1461.66  43355.11   2068.30  39436.99   2065.91  282.807 6.7523  269.713 7.0720  13.09418       9.777847  
1 1 1 1   42  2  o 379.753 6.4294  78169.13   2644.48  78700.09   3740.63  77638.60   3739.08  380.870 9.0677  378.288 9.1258  2.581635       12.86483  
1 1 1 1   42  3  o 131.729 3.0691  9399.33    437.882  8906.65    622.579  9881.64    615.992  128.214 4.4832  135.053 4.2111  -6.839157      6.150826  
1 1 1 1   42  4  o 425.870 8.2855  98384.38   3821.79  98186.21   6618.71  98483.51   4681.01  424.722 14.388  425.906 10.147  -1.183777      17.60633  
1 1 1 1   42  5  o 267.048 6.7588  38667.33   1954.92  37497.39   2763.64  39839.02   2765.71  262.809 9.7089  270.910 9.4257  -8.101013      13.53169  
1 1 1 1   42  6  o 195.199 4.2884  20645.60   906.660  21241.07   1111.61  19462.19   1567.06  197.970 5.1842  189.413 7.6385  8.557129       9.231576  
1 1 1 1   42  7  o 378.850 6.4291  77831.05   2638.08  75672.65   3730.92  79989.20   3730.69  373.297 9.2277  383.825 8.9740  -10.52768      12.87176  
1 1 1 1   42  8  o 567.438 9.4246  174937.20  5792.30  171353.30  8191.40  178521.41  8191.70  560.647 13.490  572.330 13.215  -11.68256      18.88378  
1 1 1 1   42  9  o 222.266 4.8183  26779.69   1159.94  26684.47   1421.93  26969.08   2005.41  221.816 5.9185  222.839 8.3089  -1.022705      10.20128  
1 1 1 1   42  10 f 179.166 5.0993  17405.11   989.539  17216.89   1401.96  17591.96   1396.89  178.083 7.2685  180.019 7.1643  -1.935608      10.20580  
1 1 1 1   42  11 o 149.948 4.6158  12189.79   749.656  12153.55   1062.26  12225.74   1058.10  149.642 6.5540  150.088 6.5090  -0.4460144     9.236977  
1 1 1 1   42  12 o 419.507 12.145  96115.00   5518.27  94130.95   6604.90  100701.30  10042.00 414.338 14.718  424.876 21.896  -10.53809      26.38279  
1 1 1 1   42  13 o 370.418 9.0114  74687.97   3615.40  78701.54   5113.00  70674.55   5112.90  379.362 12.444  359.296 13.138  20.06628       18.09603  
1 1 1 1   42  14 o 48.467  3.3208  1279.07    173.274  851.531    321.405  1454.25    205.731  38.872  7.9031  51.663  3.7011  -12.79140      8.726856  
1 1 1 1   42  15 o 68.232  2.9215  2522.88    215.905  2497.68    417.313  2532.09    252.295  67.584  5.7558  68.348  3.4081  -0.7643967     6.689101  
1 1 1 1   42  16 o 227.442 4.4829  28061.44   1104.34  26923.52   2066.83  28516.12   1306.47  222.285 8.5847  229.204 5.2627  -6.918808      10.06941  
1 1 1 1   42  17 o 72.769  3.0337  2870.27    239.105  2855.61    474.961  2875.25    276.728  72.228  6.1292  72.822  3.5085  -0.5937729     7.062322  
1 1 1 1   42  18 o 84.490  2.7396  3869.14    250.703  3620.48    543.701  3936.28    282.531  81.356  6.2173  85.212  3.0612  -3.855568      6.930068  
1 1 1 1   42  19 o 165.132 3.5120  14792.34   628.147  14364.96   1247.25  14937.58   727.088  162.309 7.0948  165.895 4.0465  -3.586609      8.167651  
1 1 1 1   42  20 o 150.015 3.3529  12211.74   544.788  11570.85   1076.20  12432.55   631.706  145.570 6.8258  151.317 3.8544  -5.746933      7.838842  
1 1 1 1   42  21 f 30.212  5.3892  512.500    169.883  788.851    323.828  407.565    199.546  37.153  8.2611  26.776  6.8522  10.37691       10.73306  
1 1 1 1   42  22 o 104.862 2.9148  5971.35    331.057  6124.67    665.308  5920.90    381.663  105.606 5.8392  104.369 3.3763  1.237328       6.745045  
1 1 1 1   42  23 o 47.645  4.3822  1249.47    223.610  1465.98    438.535  1173.40    259.941  50.707  8.2699  45.981  5.3176  4.726604       9.831985  
1 1 1 1   42  24 o 107.932 3.0322  6338.23    354.470  6170.86    646.699  6410.11    423.804  105.741 5.6672  108.437 3.6084  -2.696037      6.718501  
1 1 1 1   42  25 o 95.701  2.9102  4986.65    301.657  5287.65    665.041  4908.67    338.480  97.386  6.3395  94.879  3.2938  2.506737       7.144119  
1 1 1 1   42  26 o 121.467 3.2441  8053.65    426.797  8302.34    860.151  7972.42    491.580  121.702 6.5495  120.689 3.7606  1.013000       7.552336  
1 1 1 1   42  27 o 42.741  4.9684  1024.79    225.710  865.333    463.177  1074.45    258.477  37.392  10.819  43.578  5.6063  -6.185711      12.18566  
1 1 1 1   42  28 o 22.912  7.8103  288.841    232.285  195.027    440.773  324.913    273.318  24.737  10.191  24.345  8.4647  0.3917942      13.24765  
1 1 1 1   42  29 o 95.299  3.3894  4994.56    349.844  4795.94    692.198  5062.70    405.438  90.853  7.0904  95.704  3.9113  -4.851318      8.097695  
1 1 1 1   42  30 o 37.676  6.4088  845.107    252.157  1278.39    475.863  675.951    297.332  43.843  10.211  32.659  8.3678  11.18363       13.20189  
1 1 1 1   42  31 o 25.159  8.4174  408.220    269.745  0.0000     0.0000   408.220    269.745  ?       ?       25.159  8.4174  0.000000       8.417377  
1 1 1 1   42  32 o 20.507  8.7031  159.124    336.147  0.0000     0.0000   159.124    336.147  ?       ?       20.507  8.7031  0.000000       8.703123  
1 1 1 1   42  33 o 34.628  9.4789  890.126    365.896  0.0000     0.0000   890.126    365.896  ?       ?       34.628  9.4789  0.000000       9.478947  
1 1 1 1   42  34 o 16.654  7.8837  -192.6137  377.941  0.0000     0.0000   -192.6137  377.941  ?       ?       16.654  7.8837  0.000000       7.883690  
1 1 1 1   43  0  o 245.942 4.4599  32771.99   1188.04  33909.18   1681.46  31638.36   1678.83  250.119 6.2068  241.591 6.4158  8.527405       8.926808  
1 1 1 1   43  1  o 545.444 9.0810  161425.70  5364.81  162968.30  7587.71  159883.70  7586.25  547.527 12.795  542.302 12.916  5.225891       18.18026  
1 1 1 1   43  2  o 554.221 9.1957  166680.41  5519.96  166028.70  7807.02  167331.91  7805.79  552.571 13.045  554.744 12.991  -2.173584      18.41015  
1 1 1 1   43  3  o 305.144 6.1842  50473.73   2043.90  51041.23   3538.60  50189.61   2503.80  306.567 10.657  304.210 7.5990  2.356598       13.08883  
1 1 1 1   43  4  o 452.779 10.793  111365.60  5292.73  111286.20  7484.78  111444.90  7485.32  451.918 15.291  452.242 15.282  -0.3239136     21.61844  
1 1 1 1   43  5  o 419.191 8.1564  95342.84   3703.22  97416.16   4536.13  91199.62   6412.39  423.536 9.8884  409.150 14.470  14.38571       17.52595  
1 1 1 1   43  6  o 467.028 7.7958  118344.80  3943.44  118241.40  5577.13  118448.10  5576.61  466.380 11.041  466.789 11.030  -0.4091797     15.60647  
1 1 1 1   43  7  o 95.138  2.7657  4903.03    284.986  4390.24    408.480  5389.34    397.793  90.010  4.1900  99.734  3.6825  -9.724327      5.578213  
1 1 1 1   43  8  o 421.816 8.2469  96614.37   3767.76  94255.41   4614.83  101330.60  6525.17  416.336 10.234  430.918 13.981  -14.58148      17.32602  
1 1 1 1   43  9  o 124.147 4.2235  8353.17    567.908  7611.55    803.622  9093.02    802.665  118.284 6.2954  129.485 5.7233  -11.20152      8.508084  
1 1 1 1   43  10 o 25.354  6.5595  361.924    181.498  263.851    253.493  465.082    259.983  23.384  8.1508  28.847  8.0271  -5.463503      11.43983  
1 1 1 1   43  11 o 392.112 7.7337  83530.02   3284.47  89975.51   5689.81  80308.88   4022.31  405.799 12.945  384.134 9.6677  21.66498       16.15701  
1 1 1 1   43  12 o 438.591 10.526  104863.00  5000.44  102397.00  7072.02  107328.60  7071.37  431.899 15.118  442.316 14.760  -10.41714      21.12871  
1 1 1 1   43  13 o 225.294 4.8368  27529.78   1180.25  28562.42   2044.17  27013.39   1445.54  229.147 8.2363  223.080 5.9827  6.067062       10.17987  
1 1 1 1   43  14 o 261.836 4.7466  37187.13   1346.11  36944.39   2687.64  37268.40   1555.24  260.353 9.5310  262.053 5.4795  -1.700409      10.99385  
1 1 1 1   43  15 o 311.861 5.4817  52792.38   1851.60  51846.08   3700.46  53108.43   2138.57  307.950 11.094  312.675 6.3148  -4.724976      12.76573  
1 1 1 1   43  16 o 108.163 2.9859  6340.65    349.801  5768.87    680.766  6545.77    407.746  102.862 6.1384  109.885 3.4259  -7.023453      7.029742  
1 1 1 1   43  17 o 110.689 2.9710  6641.00    356.188  6749.69    709.579  6604.39    411.834  111.292 5.9078  110.367 3.4452  0.9247513      6.838957  
1 1 1 1   43  18 o 266.273 4.8228  38501.41   1390.91  37922.84   2776.64  38695.23   1607.08  263.167 9.7413  266.823 5.5609  -3.656158      11.21680  
1 1 1 1   43  19 o 238.751 4.4290  30957.39   1145.31  30936.24   2286.48  30964.47   1323.29  237.654 8.8829  238.665 5.1191  -1.011383      10.25236  
1 1 1 1   43  20 f 144.331 3.3029  11304.81   516.325  11786.40   1020.29  11139.02   598.636  146.951 6.4103  143.214 3.8593  3.736923       7.482419  
1 1 1 1   43  21 o 54.977  3.4409  1648.15    203.857  1905.14    393.829  1554.09    238.260  58.690  6.2937  53.292  4.1608  5.397923       7.544752  
1 1 1 1   43  22 o 33.626  5.0888  631.327    179.539  721.903    406.544  609.382    200.110  35.424  10.102  32.879  5.8329  2.545467       11.66507  
1 1 1 1   43  23 o 159.790 3.6292  13907.06   628.102  13804.06   1216.90  13944.47   733.336  157.915 7.1148  159.839 4.2360  -1.923553      8.280293  
1 1 1 1   43  24 o 23.115  7.2252  296.038    200.819  624.971    389.917  177.286    234.282  32.916  10.031  20.520  7.7350  12.39627       12.66656  
1 1 1 1   43  25 o 45.626  4.6331  1154.31    225.783  1525.34    440.339  1021.97    262.985  51.415  8.1814  42.599  5.8546  8.815804       10.06041  
1 1 1 1   43  26 o 64.254  2.7413  2249.07    190.775  2064.67    243.107  2544.65    307.788  61.314  3.6777  67.953  4.2025  -6.639385      5.584523  
1 1 1 1   43  27 o 47.822  4.6641  1275.64    238.505  1617.80    468.264  1155.79    277.148  52.298  8.5632  45.136  5.8036  7.162209       10.34454  
1 1 1 1   43  28 o 64.804  3.8799  2322.05    271.077  2577.07    527.013  2230.30    316.098  66.536  7.4404  63.224  4.6486  3.311607       8.773190  
1 1 1 1   43  29 o 27.793  7.7083  468.030    240.158  376.926    455.857  503.029    282.549  27.360  10.666  28.680  8.4939  -1.320320      13.63478  
1 1 1 1   43  30 o 35.971  6.4355  775.265    241.523  360.392    475.404  919.597    280.406  26.460  10.702  38.990  6.8920  -12.52975      12.72919  
1 1 1 1   43  31 o 20.381  8.7660  113.324    349.307  0.0000     0.0000   113.324    349.307  ?       ?       20.381  8.7660  0.000000       8.765972  
1 1 1 1   43  32 o 26.181  1.9249  377.361    54.202   0.0000     0.0000   377.361    54.202   ?       ?       26.181  1.9249  0.000000       1.924890  
1 1 1 1   43  33 o 19.723  8.5708  131.617    340.873  0.0000     0.0000   131.617    340.873  ?       ?       19.723  8.5708  0.000000       8.570813  
1 1 1 1   43  34 o 21.593  9.2250  251.679    382.189  0.0000     0.0000   251.679    382.189  ?       ?       21.593  9.2250  0.000000       9.225013  
1 1 1 1   44  0  o 165.192 3.3686  14782.22   602.702  15329.17   854.359  14240.38   850.354  168.198 4.6898  162.111 4.8430  6.086319       6.741561  
1 1 1 1   44  1  o 496.375 8.2280  133660.41  4423.57  138276.30  6256.87  129047.40  6254.87  504.470 11.451  487.288 11.851  17.18256       16.47972  
1 1 1 1   44  2  o 814.297 19.046  362469.19  16798.26 370513.81  23756.13 354424.41  23756.54 819.573 26.762  801.243 27.375  18.33032       38.28282  
1 1 1 1   44  3  o 140.484 3.5811  10691.64   544.901  10691.40   939.728  10691.76   668.818  140.434 6.1782  140.472 4.3959  -0.3810120E-01 7.582440  
1 1 1 1   44  4  o 180.031 4.0961  17560.73   798.710  18068.40   980.243  16557.88   1377.72  182.594 4.9565  174.724 7.2801  7.870041       8.807237  
1 1 1 1   44  5  o 486.176 9.3109  128347.10  4902.94  129746.50  6005.07  125549.00  8491.48  488.503 11.350  479.518 16.350  8.985199       19.90288  
1 1 1 1   44  6  o 288.552 5.0917  45130.57   1591.31  46154.98   2251.79  44108.61   2249.10  291.686 7.1276  285.136 7.2826  6.550323       10.19013  
1 1 1 1   44  7  o 319.076 6.4253  55220.79   2220.55  55184.16   2720.26  55293.94   3844.27  318.846 7.8770  318.794 11.134  0.5258179E-01  13.63827  
1 1 1 1   44  8  o 192.107 5.3180  20009.69   1106.52  20347.77   1566.53  19673.06   1563.18  193.611 7.4703  190.368 7.5813  3.243652       10.64337  
1 1 1 1   44  9  o 455.496 10.874  112973.40  5364.73  113806.50  7588.14  112140.70  7585.61  455.939 15.366  452.554 15.476  3.384094       21.80845  
1 1 1 1   44  10 o 231.066 4.9551  28950.02   1240.10  30412.41   2148.44  28219.36   1518.63  236.557 8.3853  228.055 6.1481  8.502274       10.39769  
1 1 1 1   44  11 o 225.803 4.8396  27648.43   1183.61  28842.56   2052.58  27053.54   1448.73  230.343 8.2272  223.283 5.9905  7.060074       10.17709  
1 1 1 1   44  12 o 58.894  3.7480  1887.58    237.832  2018.50    304.977  1684.40    379.932  60.833  4.6642  55.326  6.4620  5.506618       7.969474  
1 1 1 1   44  13 o 194.504 3.8330  20508.03   807.483  20938.51   1147.27  20085.43   1136.71  196.441 5.3922  192.393 5.4549  4.047668       7.670202  
1 1 1 1   44  14 o 342.385 5.9017  63645.53   2188.58  60843.09   4375.35  64580.71   2527.50  333.412 12.116  344.754 6.7688  -11.34204      13.87860  
1 1 1 1   44  15 o 251.951 5.0139  34445.41   1368.25  36042.63   2556.94  33804.54   1619.65  257.128 9.1812  249.490 5.9937  7.638290       10.96447  
1 1 1 1   44  16 o 290.893 5.1736  45935.33   1630.02  45431.50   3258.07  46103.54   1882.56  288.237 10.436  291.310 5.9666  -3.073364      12.02139  
1 1 1 1   44  17 o 65.811  3.1389  2347.90    223.742  1922.26    417.201  2519.74    265.088  59.079  6.6346  68.071  3.6084  -8.991982      7.552376  
1 1 1 1   44  18 o 157.577 3.4015  13466.25   580.551  12502.47   1145.54  13799.34   673.440  151.488 6.9817  159.479 3.8988  -7.990723      7.996515  
1 1 1 1   44  19 o 58.676  2.4589  1866.22    156.270  2256.44    423.609  1804.75    168.128  64.069  6.1812  57.696  2.6904  6.372696       6.741338  
1 1 1 1   44  20 o 128.732 3.2011  8993.43    446.324  8718.82    867.063  9092.43    520.593  126.203 6.3637  129.391 3.7147  -3.188011      7.368590  
1 1 1 1   44  21 o 89.688  2.7194  4365.01    264.168  4351.67    566.424  4368.72    298.635  89.025  5.9079  89.700  3.0738  -0.6751480     6.659690  
1 1 1 1   44  22 o 96.147  2.8495  5021.06    296.735  5368.96    518.684  4851.81    361.788  99.147  4.8301  94.437  3.5371  4.710640       5.986672  
1 1 1 1   44  23 o 38.432  2.0460  803.668    84.860   790.642    91.153   888.357    232.421  38.102  2.2183  39.861  5.5325  -1.758991      5.960691  
1 1 1 1   44  24 o 134.012 3.3261  9784.92    482.785  9888.86    959.173  9749.65    558.719  133.526 6.6322  133.630 3.8603  -0.1035461     7.673872  
1 1 1 1   44  25 o 71.979  3.4100  2827.49    265.850  2325.79    535.074  2991.93    306.336  63.796  7.9137  73.870  3.8420  -10.07437      8.797040  
1 1 1 1   44  26 o 94.526  3.1078  4876.83    318.183  4462.34    590.577  5046.36    377.685  89.223  6.1488  96.019  3.6316  -6.796272      7.141197  
1 1 1 1   44  27 o 44.324  4.9131  1101.60    231.896  1076.25    447.509  1110.90    271.140  41.808  10.015  44.223  5.8006  -2.415695      11.57315  
1 1 1 1   44  28 o 45.947  2.2721  1150.30    113.072  893.426    455.429  1167.17    116.727  37.509  10.691  46.217  2.3395  -8.707607      10.94360  
1 1 1 1   44  29 o 44.450  5.2336  1126.23    247.141  618.594    475.565  1314.04    289.269  31.538  11.151  47.846  5.6937  -16.30832      12.52053  
1 1 1 1   44  30 o 42.063  5.7877  1039.78    256.694  83.662     480.203  1422.28    303.732  22.832  10.041  49.278  5.8019  -26.44640      11.59665  
1 1 1 1   44  31 o 27.173  9.4272  497.550    338.917  0.0000     0.0000   497.550    338.917  ?       ?       27.173  9.4272  0.000000       9.427217  
1 1 1 1   44  32 f 26.689  9.5039  500.147    346.042  0.0000     0.0000   500.147    346.042  ?       ?       26.689  9.5039  0.000000       9.503928  
1 1 1 1   44  33 o 19.393  8.6316  78.640     365.293  0.0000     0.0000   78.640     365.293  ?       ?       19.393  8.6316  0.000000       8.631571  
1 1 1 1   44  34 o 29.445  10.341  718.405    408.413  0.0000     0.0000   718.405    408.413  ?       ?       29.445  10.341  0.000000       10.34117  
1 1 1 1   45  0  o 178.300 3.5493  17222.31   685.432  17888.76   972.023  16563.15   966.693  181.688 4.9395  174.823 5.1053  6.865265       7.103683  
1 1 1 1   45  1  o 151.311 3.7301  12403.57   611.303  13552.90   1057.88  11827.38   749.021  158.114 6.1772  147.739 4.6809  10.37503       7.750435  
1 1 1 1   45  2  o 436.318 8.4617  103304.30  3998.79  101677.10  6925.67  104118.00  4897.65  431.977 14.802  437.818 10.328  -5.841278      18.04942  
1 1 1 1   45  3  o 642.510 15.075  225048.09  10490.52 230519.80  14836.18 219577.00  14835.48 648.213 21.132  632.435 21.658  15.77789       30.25905  
1 1 1 1   45  4  o 731.235 13.952  291318.59  11049.88 290752.31  13533.51 292451.09  19138.33 729.414 17.130  728.244 24.264  1.169800       29.70145  
1 1 1 1   45  5  f 574.523 9.5090  179295.09  5917.17  183147.20  8368.72  175444.09  8367.58  579.818 13.326  567.420 13.615  12.39807       19.05135  
1 1 1 1   45  6  o 18.022  5.4383  177.137    115.027  224.234    180.443  144.896    149.294  20.852  6.8810  17.620  6.2459  3.231716       9.293007  
1 1 1 1   45  7  o 358.705 8.7434  69896.23   3396.94  69532.95   4805.80  70258.96   4802.19  357.213 12.421  359.086 12.347  -1.873291      17.51413  
1 1 1 1   45  8  o 496.094 11.779  134101.09  6329.35  135434.00  8952.49  132769.00  8949.63  497.046 16.629  492.072 16.792  4.973022       23.63289  
1 1 1 1   45  9  o 224.645 4.8680  27360.79   1184.46  29061.37   2052.15  26511.26   1450.44  231.280 8.1922  221.061 6.0579  10.21902       10.18871  
1 1 1 1   45  10 o 280.264 5.0094  42593.91   1520.64  43662.21   2152.05  41528.66   2148.96  283.579 7.0066  276.547 7.1745  7.032532       10.02825  
1 1 1 1   45  11 o 156.405 3.8510  13259.13   652.365  13193.03   1130.61  13292.13   798.741  155.878 6.6966  156.566 4.7102  -0.6873474     8.187218  
1 1 1 1   45  12 o 322.134 6.5352  56349.52   2280.17  54596.40   2793.45  59849.58   3947.03  316.848 8.1399  331.168 11.004  -14.32004      13.68748  
1 1 1 1   45  13 o 211.031 4.0185  24144.06   918.506  25502.46   1305.67  22813.20   1292.36  216.776 5.5610  205.008 5.8203  11.76863       8.049850  
1 1 1 1   45  14 o 280.950 4.9950  42825.34   1519.96  44880.11   3041.01  42141.06   1754.90  286.859 9.7877  278.604 5.8156  8.254272       11.38505  
1 1 1 1   45  15 o 227.957 4.2579  28183.07   1051.29  29019.07   2100.74  27903.76   1214.27  230.820 8.4029  226.766 4.9439  4.053650       9.749386  
1 1 1 1   45  16 f 153.607 3.3456  12791.26   556.610  13468.48   1107.38  12562.33   643.854  157.393 6.4959  152.197 3.9058  5.196381       7.579704  
1 1 1 1   45  17 o 108.654 3.0114  6399.56    354.392  6277.22    689.118  6443.55    413.223  107.298 5.9531  109.009 3.4999  -1.711090      6.905663  
1 1 1 1   45  18 o 117.173 3.0614  7444.26    388.522  7416.60    761.012  7454.01    451.845  116.596 6.0469  117.225 3.5588  -0.6284943     7.016358  
1 1 1 1   45  19 o 124.370 3.1497  8390.44    424.281  8622.30    861.870  8316.28    487.435  125.604 6.3560  123.786 3.6356  1.818489       7.322291  
1 1 1 1   45  20 o 56.850  3.4107  1760.99    209.038  1088.49    400.203  2013.30    245.136  43.718  8.7572  60.764  3.7429  -17.04686      9.523505  
1 1 1 1   45  21 o 134.209 3.1683  9783.37    460.547  9826.89    920.333  9768.83    531.941  133.915 6.3452  134.043 3.6639  -0.1284180     7.327095  
1 1 1 1   45  22 o 60.349  3.4997  1988.19    227.773  1473.01    481.197  2136.96    258.575  50.650  9.1062  62.525  3.8368  -11.87482      9.881534  
1 1 1 1   45  23 o 71.498  2.6247  2777.27    203.258  2417.39    519.859  2842.22    220.837  65.578  7.4514  72.311  2.8197  -6.732880      7.967058  
1 1 1 1   45  24 o 45.321  4.4240  1135.12    214.392  1032.74    440.070  1166.98    245.496  41.736  9.8871  45.827  5.0286  -4.091331      11.09238  
1 1 1 1   45  25 o 19.770  7.0768  189.893    192.101  -410.7116  395.628  375.181    219.743  17.182  8.1132  25.562  7.4684  -8.379898      11.02726  
1 1 1 1   45  26 o 25.491  0.9557  352.156    26.385   359.170    26.575   -133.7456  221.201  25.743  0.9531  14.154  6.4670  11.58892       6.536818  
1 1 1 1   45  27 o 43.820  4.7705  1075.48    222.758  1603.46    449.970  904.073    256.379  52.144  8.2412  39.688  6.1642  12.45556       10.29146  
1 1 1 1   45  28 o 50.446  4.5455  1422.82    245.695  2006.00    474.284  1208.92    287.241  58.439  7.6791  45.968  5.9059  12.47121       9.687553  
1 1 1 1   45  29 o 53.942  4.5803  1636.86    265.077  1683.90    489.452  1617.33    315.324  52.142  8.9914  53.158  5.5589  -1.015903      10.57107  
1 1 1 1   45  30 o 42.526  2.3926  994.809    109.758  1588.53    472.330  960.919    112.847  49.328  9.1784  41.762  2.5064  7.565823       9.514507  
1 1 1 1   45  31 o 36.155  9.5563  912.091    379.886  0.0000     0.0000   912.091    379.886  ?       ?       36.155  9.5563  0.000000       9.556281  
1 1 1 1   45  32 o 41.749  8.5289  1182.36    372.628  0.0000     0.0000   1182.36    372.628  ?       ?       41.749  8.5289  0.000000       8.528882  
1 1 1 1   45  33 o 39.408  9.0318  1119.27    377.251  0.0000     0.0000   1119.27    377.251  ?       ?       39.408  9.0318  0.000000       9.031770  
1 1 1 1   46  0  o 177.697 4.1518  17108.81   799.069  17360.82   1381.70  16982.17   979.482  178.913 7.1302  177.015 5.1088  1.897598       8.771510  
1 1 1 1   46  1  o 229.038 4.8878  28429.19   1212.52  27212.30   2098.49  29039.07   1485.61  223.914 8.6528  231.444 5.9264  -7.529709      10.48774  
1 1 1 1   46  2  o 180.701 5.0820  17697.06   994.639  17441.39   1406.02  17953.17   1407.25  179.318 7.2393  181.934 7.1415  -2.615738      10.16896  
1 1 1 1   46  3  o 203.903 4.5314  22530.58   1000.76  22624.88   1226.82  22343.03   1730.16  204.296 5.5443  202.919 7.8721  1.377167       9.628612  
1 1 1 1   46  4  o 250.036 5.1691  33887.24   1399.88  35748.02   1716.10  30186.50   2420.14  256.760 6.1709  235.738 9.4785  21.02226       11.31026  
1 1 1 1   46  5  o 131.365 3.0379  9348.63    432.236  9309.52    614.943  9386.83    607.669  131.068 4.3318  131.612 4.2629  -0.5445404     6.077537  
1 1 1 1   46  6  o 381.441 9.2161  79058.30   3807.54  80194.43   5386.84  77923.98   5382.51  383.546 12.967  378.043 13.145  5.502838       18.46485  
1 1 1 1   46  7  o 320.045 7.9298  55620.29   2748.81  54049.86   3889.23  57187.79   3885.60  315.042 11.398  324.109 11.069  -9.067322      15.88799  
1 1 1 1   46  8  o 261.296 6.6612  37050.76   1885.19  38260.61   2668.02  35844.45   2664.12  265.271 9.2860  256.725 9.5811  8.545532       13.34269  
1 1 1 1   46  9  f 498.678 8.3358  135141.41  4502.36  135990.41  6368.32  134292.91  6366.27  499.381 11.774  496.234 11.845  3.147217       16.70107  
1 1 1 1   46  10 o 306.119 6.2088  50856.05   2058.56  52012.01   3566.41  50278.50   2520.91  308.940 10.658  304.208 7.6510  4.732391       13.12004  
1 1 1 1   46  11 o 26.864  6.5864  407.474    190.165  508.373    265.608  301.358    272.389  30.060  8.0123  24.660  8.4574  5.400137       11.65009  
1 1 1 1   46  12 o 207.711 4.6517  23397.42   1046.50  23092.38   1284.86  23998.59   1803.72  206.276 5.7509  210.082 7.9270  -3.806274      9.793401  
1 1 1 1   46  13 o 242.485 4.8467  31895.08   1272.92  32843.41   1690.97  30654.94   1933.72  245.919 6.3485  237.450 7.5188  8.469055       9.840580  
1 1 1 1   46  14 o 350.678 7.8408  66907.65   2978.09  67445.04   4661.72  66537.10   3870.97  350.908 12.265  349.136 10.237  1.772247       15.97587  
1 1 1 1   46  15 o 319.215 6.0087  55351.58   2077.46  53308.25   3864.77  56181.93   2463.67  312.027 11.436  321.412 7.0770  -9.384979      13.44837  
1 1 1 1   46  16 o 290.663 5.1634  45870.91   1625.54  43307.74   3248.58  46727.05   1877.49  281.247 10.664  293.246 5.9112  -11.99860      12.19308  
1 1 1 1   46  17 o 173.482 3.6833  16323.48   692.086  15470.84   1311.69  16652.42   814.721  168.531 7.1859  175.174 4.2941  -6.642441      8.371158  
1 1 1 1   46  18 o 261.923 4.7383  37266.77   1344.21  34840.67   2682.32  38080.38   1553.33  251.979 9.8282  264.641 5.4192  -12.66190      11.22330  
1 1 1 1   46  19 f 175.560 3.5891  16729.45   682.468  15649.45   1353.18  17097.87   790.348  169.178 7.3849  177.420 4.1129  -8.241730      8.452921  
1 1 1 1   46  20 o 118.978 3.0512  7682.90    393.193  7771.96    783.311  7652.90    454.617  119.125 6.0914  118.701 3.5361  0.4240799      7.043357  
1 1 1 1   46  21 o 58.759  3.3078  1882.05    209.658  1995.50    407.923  1841.33    244.410  59.996  6.3751  58.041  3.9107  1.954700       7.479009  
1 1 1 1   46  22 o 82.645  3.1002  3713.18    277.513  3899.37    579.177  3657.69    316.171  83.931  6.4198  81.975  3.5610  1.955872       7.341318  
1 1 1 1   46  23 o 104.373 3.1593  5927.92    357.149  6009.17    709.104  5900.31    413.415  104.161 6.3152  104.043 3.6686  0.1183472      7.303500  
1 1 1 1   46  24 o 56.431  2.1985  1729.53    134.375  1518.81    461.543  1749.04    140.460  51.222  8.6258  56.742  2.2855  -5.519730      8.923407  
1 1 1 1   46  25 o 28.413  6.8160  468.844    207.068  757.058    409.616  369.908    239.991  35.590  10.137  25.525  7.8854  10.06526       12.84276  
1 1 1 1   46  26 o 29.450  1.2053  470.272    38.447   132.096    401.206  473.406    38.625   23.349  9.6800  29.548  1.2069  -6.198111      9.754948  
1 1 1 1   46  27 o 60.634  3.9889  2032.57    260.497  2262.77    502.497  1947.98    304.627  62.404  7.5909  59.082  4.8019  3.321487       8.982184  
1 1 1 1   46  28 o 37.992  1.5879  784.097    65.340   801.596    431.499  783.687    66.102   35.598  10.484  37.981  1.6069  -2.382545      10.60644  
1 1 1 1   46  29 f 20.496  7.5603  213.601    221.452  120.161    420.447  249.475    260.516  22.751  9.6965  22.015  8.1843  0.7353802      12.68881  
1 1 1 1   46  30 o 27.804  7.7282  493.513    241.125  670.169    441.925  418.629    287.728  30.910  10.763  25.662  8.6929  5.248133       13.83473  
1 1 1 1   46  31 f 52.165  6.8369  1678.70    376.989  0.0000     0.0000   1678.70    376.989  ?       ?       52.165  6.8369  0.000000       6.836925  
1 1 1 1   46  32 o 18.673  8.4160  2.2549     359.414  0.0000     0.0000   2.2549     359.414  ?       ?       18.673  8.4160  0.000000       8.416031  
1 1 1 1   46  33 o 30.907  10.076  759.128    387.327  0.0000     0.0000   759.128    387.327  ?       ?       30.907  10.076  0.000000       10.07574  
1 1 1 1   47  0  o 694.365 13.192  262560.09  9921.01  262392.50  17184.39 262643.81  12150.46 690.260 22.985  693.508 16.176  -3.247986      28.10674  
1 1 1 1   47  1  o 239.418 6.2037  31081.00   1608.72  32453.42   2276.03  29710.88   2274.12  244.508 8.5944  233.923 8.9757  10.58461       12.42688  
1 1 1 1   47  2  o 360.243 7.1089  70397.81   2773.77  72760.81   3397.97  65678.60   4802.01  366.100 8.5694  347.312 12.765  18.78787       15.37493  
1 1 1 1   47  3  o 161.250 3.8675  14088.50   675.461  14188.50   828.473  13890.23   1166.55  161.801 4.7275  160.027 6.7304  1.773178       8.224749  
1 1 1 1   47  4  o 325.257 5.6206  57358.17   1980.07  58697.66   2801.58  56021.22   2798.92  328.851 7.8656  321.250 8.0441  7.601471       11.25058  
1 1 1 1   47  5  o 291.156 7.2914  46003.85   2299.37  46173.83   3254.72  45834.48   3248.88  291.391 10.313  290.316 10.332  1.075043       14.59809  
1 1 1 1   47  6  o 444.834 10.641  107672.60  5126.77  107498.30  7251.49  107846.80  7249.21  443.408 15.099  444.134 15.070  -0.7264709     21.33267  
1 1 1 1   47  7  o 363.345 8.8156  71746.30   3469.29  73438.88   4908.58  70056.84   4904.07  366.989 12.349  358.382 12.634  8.607147       17.66681  
1 1 1 1   47  8  o 162.586 3.3582  14323.24   591.370  13710.56   838.074  14930.83   834.583  159.023 4.8658  165.957 4.6431  -6.934418      6.725615  
1 1 1 1   47  9  o 445.360 7.4858  107730.30  3610.91  111000.40  5108.05  104463.90  5105.15  451.442 10.447  437.871 10.764  13.57062       15.00030  
1 1 1 1   47  10 o 73.218  2.7261  2904.43    216.186  3321.72    443.809  2774.61    247.541  78.078  5.2791  71.557  3.1939  6.520584       6.170058  
1 1 1 1   47  11 o 247.989 5.2930  33362.61   1421.69  32260.61   1742.81  35554.49   2457.92  243.742 6.6016  255.604 8.8783  -11.86226      11.06370  
1 1 1 1   47  12 o 47.742  3.6484  1242.64    187.225  1157.23    276.436  1315.02    254.477  45.827  5.6919  48.999  4.8591  -3.171795      7.483879  
1 1 1 1   47  13 o 232.700 4.3183  29364.01   1088.38  29889.72   1546.64  28848.30   1531.86  234.619 6.0863  230.491 6.1362  4.128586       8.642669  
1 1 1 1   47  14 o 68.283  3.6175  2534.68    266.586  2139.02    451.315  2746.71    330.383  62.370  6.7906  71.036  4.3145  -8.665150      8.045316  
1 1 1 1   47  15 o 396.152 6.7465  85329.07   2894.73  88744.58   5789.85  84190.78   3342.47  401.695 13.308  393.224 7.8480  8.471497       15.44939  
1 1 1 1   47  16 o 308.748 5.7951  51795.44   1937.93  51867.72   3607.91  51766.13   2297.49  307.694 10.826  308.451 6.8770  -0.7573853     12.82554  
1 1 1 1   47  17 o 137.434 3.1754  10241.15   472.669  9784.83    916.801  10406.35   551.635  134.101 6.3121  138.510 3.6771  -4.408997      7.305015  
1 1 1 1   47  18 o 77.015  2.6087  3215.29    217.607  2459.93    477.569  3413.22    244.459  66.851  6.6852  79.342  2.8447  -12.49075      7.265292  
1 1 1 1   47  19 f 75.124  2.5612  3060.15    208.397  2067.94    461.017  3314.96    233.629  61.101  7.0986  78.181  2.7590  -17.08044      7.615883  
1 1 1 1   47  20 o 142.769 3.2375  11067.74   500.626  10266.64   994.908  11339.35   579.310  136.911 6.7093  144.452 3.7027  -7.540955      7.663167  
1 1 1 1   47  21 o 172.951 3.5819  16268.51   670.966  17099.55   1339.22  15990.00   775.287  176.246 7.0156  171.332 4.1779  4.914612       8.165337  
1 1 1 1   47  22 o 81.817  2.5701  3635.18    227.751  3444.62    561.033  3672.78    249.210  78.765  6.6383  82.218  2.7985  -3.453026      7.204044  
1 1 1 1   47  23 o 100.215 3.0655  5464.50    332.740  6033.94    682.204  5286.75    381.151  104.430 6.0575  98.488  3.5731  5.941521       7.032764  
1 1 1 1   47  24 o 114.970 3.2041  7203.57    398.986  7538.04    795.687  7091.23    461.152  116.391 6.3356  113.942 3.7367  2.449524       7.355510  
1 1 1 1   47  25 o 101.033 2.9505  5563.30    322.868  5577.75    698.595  5559.38    364.086  99.759  6.5010  100.909 3.3312  -1.150246      7.304819  
1 1 1 1   47  26 o 60.595  3.7333  2020.78    243.828  2329.46    498.438  1923.67    279.562  63.687  7.3615  58.928  4.4121  4.759209       8.582441  
1 1 1 1   47  27 o 47.597  2.4127  1237.71    123.975  586.071    465.610  1287.44    128.618  31.608  11.045  48.538  2.4545  -16.93069      11.31433  
1 1 1 1   47  28 o 58.383  4.1111  1894.32    258.308  1861.54    501.682  1906.15    301.319  55.598  8.6094  58.292  4.8156  -2.694691      9.864683  
1 1 1 1   47  29 f 12.464  5.9373  -252.8608  221.067  -216.1435  405.497  -268.3889  263.701  18.497  8.5609  13.852  6.5654  4.645578       10.78863  
1 1 1 1   47  30 f 37.309  2.4725  768.153    99.346   0.0000     0.0000   768.153    99.346   ?       ?       37.309  2.4725  0.000000       2.472489  
1 1 1 1   47  31 o 17.256  7.9474  -119.7426  343.300  0.0000     0.0000   -119.7426  343.300  ?       ?       17.256  7.9474  0.000000       7.947446  
1 1 1 1   47  32 o 21.757  8.9275  252.266    336.621  0.0000     0.0000   252.266    336.621  ?       ?       21.757  8.9275  0.000000       8.927519  
1 1 1 1   47  33 o 21.097  9.0387  211.648    368.796  0.0000     0.0000   211.648    368.796  ?       ?       21.097  9.0387  0.000000       9.038654  
1 1 1 1   48  0  o 418.960 10.036  95390.98   4554.19  97696.77   6441.63  93086.66   6439.57  423.284 14.051  413.107 14.392  10.17706       20.11347  
1 1 1 1   48  1  o 193.091 4.3025  20204.52   899.818  20647.12   1104.59  19331.41   1551.42  195.165 5.2255  188.744 7.5890  6.421021       9.214088  
1 1 1 1   48  2  o 475.230 9.1776  122677.20  4723.94  125825.90  5786.56  116385.90  8179.42  480.952 11.108  461.364 16.368  19.58749       19.78186  
1 1 1 1   48  3  o 494.204 8.2487  132604.00  4415.29  136908.59  6244.95  128301.70  6243.38  501.561 11.496  485.460 11.874  16.10132       16.52702  
1 1 1 1   48  4  o 281.771 7.0989  43081.84   2166.49  43145.15   3066.22  43018.73   3061.55  281.697 10.050  281.284 10.049  0.4129028      14.21192  
1 1 1 1   48  5  f 430.877 10.272  100985.90  4793.80  103562.60  6783.15  98414.77   6775.76  435.421 14.383  424.369 14.742  11.05179       20.59580  
1 1 1 1   48  6  o 397.240 9.5419  85802.23   4105.41  88396.34   5808.38  83212.48   5803.48  402.432 13.326  390.361 13.726  12.07135       19.13079  
1 1 1 1   48  7  o 352.033 5.9920  67226.39   2284.69  69249.12   3231.81  65205.59   3230.28  357.004 8.3580  346.390 8.6100  10.61447       11.99952  
1 1 1 1   48  8  o 155.310 3.2834  13070.02   552.327  13376.67   782.686  12765.82   779.540  157.081 4.6004  153.449 4.6903  3.631744       6.569850  
1 1 1 1   48  9  o 140.226 3.6519  10656.55   554.644  11800.53   962.509  10087.83   678.651  147.467 6.0261  136.404 4.5936  11.06366       7.577278  
1 1 1 1   48  10 o 211.824 5.7110  24345.80   1310.25  24420.51   1857.97  24271.88   1848.03  211.943 8.0937  211.299 8.0750  0.6440430      11.43300  
1 1 1 1   48  11 o 387.149 7.6993  81475.95   3228.49  79828.04   3955.05  84766.87   5589.14  382.830 9.5384  393.490 13.114  -10.65939      16.21614  
1 1 1 1   48  12 o 298.829 5.2676  48451.51   1704.92  50718.74   2413.96  46194.92   2408.28  305.476 7.2960  291.486 7.6282  13.99060       10.55556  
1 1 1 1   48  13 o 215.808 4.4078  25257.70   1030.29  25497.59   1372.43  24947.95   1559.53  216.713 5.8470  214.278 6.7196  2.434631       8.907381  
1 1 1 1   48  14 o 283.964 6.3444  43810.36   1951.31  45330.79   3072.63  42782.70   2526.09  288.194 9.8436  280.288 8.3210  7.906342       12.88936  
1 1 1 1   48  15 o 135.416 3.1709  9939.91    465.074  8721.73    928.364  10348.06   537.366  126.456 6.8031  138.150 3.5913  -11.69454      7.692848  
1 1 1 1   48  16 o 338.197 5.8842  62162.61   2155.40  60568.50   4309.80  62694.30   2489.03  331.974 11.986  339.444 6.7700  -7.469696      13.76601  
1 1 1 1   48  17 o 49.019  2.1402  1302.03    113.629  1375.67    351.962  1293.46    120.058  49.823  6.6913  48.856  2.2688  0.9673500      7.065517  
1 1 1 1   48  18 o 287.082 5.1172  44816.63   1591.15  44923.04   3178.13  44781.03   1838.10  285.652 10.272  286.770 5.9179  -1.117432      11.85493  
1 1 1 1   48  19 o 184.110 3.6831  18408.42   734.454  17194.24   1458.92  18820.59   850.025  177.125 7.6047  186.079 4.2176  -8.953430      8.695920  
1 1 1 1   48  20 o 29.788  5.0145  496.812    156.038  583.662    284.939  459.611    186.485  31.938  8.1962  28.440  6.2267  3.497900       10.29317  
1 1 1 1   48  21 o 60.975  3.3660  2027.67    221.440  2214.26    503.642  1982.95    246.549  62.887  7.5448  60.239  3.7983  2.647964       8.446974  
1 1 1 1   48  22 o 37.043  4.9259  763.752    192.738  1071.18    412.826  678.063    217.949  42.938  9.1562  34.633  6.0293  8.305550       10.96310  
1 1 1 1   48  23 f 71.013  3.2380  2745.94    249.045  2819.33    525.589  2724.69    282.809  70.955  6.9274  70.581  3.7125  0.3733597      7.859466  
1 1 1 1   48  24 o 38.978  1.7622  824.367    74.396   148.843    421.390  846.100    75.583   24.314  9.9841  39.488  1.7672  -15.17354      10.13931  
1 1 1 1   48  25 o 54.308  3.9593  1624.53    231.283  1798.48    476.367  1570.88    264.556  55.750  8.1283  53.233  4.6347  2.516819       9.356771  
1 1 1 1   48  26 o 122.028 3.2311  8142.18    427.053  8188.59    863.222  8127.14    491.400  120.366 6.6471  121.723 3.7273  -1.356773      7.620824  
1 1 1 1   48  27 o 36.241  6.0286  757.149    228.327  548.440    435.876  836.078    268.047  30.659  10.688  37.842  6.7893  -7.182861      12.66202  
1 1 1 1   48  28 o 5.4005  2.4905  -26.6707   33.866   -575.5431  404.067  -22.7878   33.986   15.819  7.6602  5.5466  2.5344  10.27288       8.068561  
1 1 1 1   48  29 o 44.849  5.1302  1154.67    244.723  1008.71    472.713  1208.11    286.037  38.386  10.875  45.458  5.9525  -7.072227      12.39718  
1 1 1 1   48  30 o 38.600  7.4176  936.344    298.842  0.0000     0.0000   936.344    298.842  ?       ?       38.600  7.4176  0.000000       7.417596  
1 1 1 1   48  31 f 33.951  9.1353  801.025    343.302  0.0000     0.0000   801.025    343.302  ?       ?       33.951  9.1353  0.000000       9.135305  
1 1 1 1   48  32 o 45.127  8.4944  1387.70    399.942  0.0000     0.0000   1387.70    399.942  ?       ?       45.127  8.4944  0.000000       8.494364  
1 1 1 1   48  33 o 52.268  7.0966  1771.87    391.360  0.0000     0.0000   1771.87    391.360  ?       ?       52.268  7.0966  0.000000       7.096601  
1 1 1 1   49  0  f 64.097  3.0172  2225.70    209.463  2230.99    260.461  2216.00    352.419  64.056  3.7708  63.729  5.1497  0.3272247      6.382621  
1 1 1 1   49  1  o 296.372 6.0092  47633.24   1928.96  49137.67   2363.67  44633.37   3337.73  300.921 7.2521  286.454 10.758  14.46719       12.97400  
1 1 1 1   49  2  o 76.606  2.7337  3179.03    226.823  3217.45    323.847  3142.03    317.792  76.957  3.8980  76.049  3.8709  0.9079971      5.493466  
1 1 1 1   49  3  o 74.581  3.8622  3022.21    310.919  2903.81    442.076  3138.11    437.374  72.962  5.6378  75.890  5.3554  -2.928520      7.775970  
1 1 1 1   49  4  o 590.150 13.861  190134.50  8859.76  196574.50  12531.53 183698.50  12527.65 597.790 19.355  577.564 20.026  20.22601       27.85053  
1 1 1 1   49  5  o 482.176 11.380  126625.90  5943.19  132649.80  8407.65  120609.80  8402.24  492.227 15.770  469.104 16.537  23.12311       22.85109  
1 1 1 1   49  6  o 115.099 2.8621  7177.07    356.801  7469.96    508.213  6892.38    501.049  117.403 3.9967  112.770 4.1022  4.632317       5.727235  
1 1 1 1   49  7  o 193.674 3.7308  20327.20   782.602  20944.53   1110.10  19717.24   1103.46  196.528 5.2152  190.677 5.3430  5.851242       7.466312  
1 1 1 1   49  8  o 66.743  2.2616  2413.10    163.494  2334.29    280.919  2453.47    201.053  65.505  3.9783  67.295  2.7584  -1.789627      4.841018  
1 1 1 1   49  9  o 214.661 4.6939  24985.67   1091.32  24541.76   1891.03  25207.35   1336.31  212.470 8.2173  215.545 5.7240  -3.074814      10.01441  
1 1 1 1   49  10 o 207.673 5.6166  23401.17   1263.34  24217.62   1788.24  22587.65   1785.03  211.073 7.8221  203.820 8.0859  7.252975       11.25023  
1 1 1 1   49  11 o 31.429  5.5942  552.094    183.450  716.371    236.099  301.806    291.424  35.798  6.3204  25.015  8.7382  10.78284       10.78439  
1 1 1 1   49  12 f 241.009 4.4549  31499.82   1162.89  30685.61   1647.58  32308.12   1641.58  237.698 6.3996  243.921 6.2136  -6.223221      8.919821  
1 1 1 1   49  13 o 96.918  2.9835  5090.29    313.188  4855.21    447.737  5315.51    438.244  94.618  4.3690  99.010  4.0866  -4.392487      5.982360  
1 1 1 1   49  14 o 262.835 4.7321  37482.01   1347.13  38359.79   1908.71  36610.80   1901.56  265.654 6.6337  259.508 6.7653  6.145966       9.475000  
1 1 1 1   49  15 o 339.707 5.8852  62700.55   2165.39  66064.76   4336.27  61582.93   2499.32  347.091 11.535  336.468 6.8582  10.62292       13.41945  
1 1 1 1   49  16 o 44.553  1.8745  1075.40    90.458   1129.77    349.834  1071.50    93.642   44.952  7.4459  44.472  1.9441  0.4798317      7.695550  
1 1 1 1   49  17 o 299.041 5.2857  48608.69   1712.01  44254.55   3421.57  50062.83   1977.33  283.530 11.142  303.314 6.0189  -19.78403      12.66362  
1 1 1 1   49  18 o 170.386 3.5345  15755.30   652.276  14933.32   1289.01  16038.23   756.248  165.334 7.1982  171.851 4.0630  -6.517303      8.265689  
1 1 1 1   49  19 o 45.979  2.1572  1146.09    107.427  1170.14    336.827  1143.36    113.347  45.720  7.0268  45.922  2.2789  -0.2021103     7.387113  
1 1 1 1   49  20 o 139.497 3.3076  10572.25   499.747  10202.86   965.610  10707.39   584.051  136.405 6.5358  140.307 3.8433  -3.902435      7.582073  
1 1 1 1   49  21 o 84.417  2.7573  3870.17    252.101  4245.94    614.661  3794.17    276.421  87.620  6.5236  83.557  3.0544  4.062988       7.203207  
1 1 1 1   49  22 o 112.417 3.0605  6872.72    372.638  7194.25    782.740  6778.50    423.738  114.056 6.3616  111.570 3.5065  2.485725       7.263969  
1 1 1 1   49  23 o 143.528 3.3172  11223.38   515.672  11338.25   1035.70  11185.52   594.616  142.952 6.6892  143.141 3.8353  -0.1889801     7.710692  
1 1 1 1   49  24 o 42.924  4.5069  1021.63    206.406  934.537    438.653  1046.40    233.921  39.496  10.187  43.313  5.0829  -3.816689      11.38495  
1 1 1 1   49  25 o 93.184  2.9416  4734.55    296.885  4322.77    652.040  4842.25    333.456  87.450  6.9411  94.162  3.2696  -6.712303      7.672650  
1 1 1 1   49  26 o 63.589  3.7739  2226.96    258.758  2544.65    515.634  2120.03    299.153  66.559  7.2708  61.821  4.4986  4.738594       8.549993  
1 1 1 1   49  27 o ?       ?       -179.3997  38.426   473.468    415.739  -185.0251  38.591   29.037  10.409  ?       ?       0.000000       10.40894  
1 1 1 1   49  28 o 47.510  4.7476  1272.06    241.033  1587.06    470.340  1159.87    280.692  50.910  8.8510  44.865  5.9209  6.045052       10.64888  
1 1 1 1   49  29 o 60.535  4.2334  2063.35    275.816  1716.79    520.249  2198.85    325.295  51.268  9.7249  62.120  4.8739  -10.85248      10.87784  
1 1 1 1   49  30 o 30.471  9.2140  630.432    329.948  0.0000     0.0000   630.432    329.948  ?       ?       30.471  9.2140  0.000000       9.214008  
1 1 1 1   49  31 o 20.052  8.5198  138.271    322.767  0.0000     0.0000   138.271    322.767  ?       ?       20.052  8.5198  0.000000       8.519799  
1 1 1 1   49  32 o 49.210  7.3096  1565.91    377.761  0.0000     0.0000   1565.91    377.761  ?       ?       49.210  7.3096  0.000000       7.309586  
1 1 1 1   49  33 o 29.519  10.022  688.077    382.414  0.0000     0.0000   688.077    382.414  ?       ?       29.519  10.022  0.000000       10.02157  
1 1 1 1   50  0  o 225.033 4.8178  27450.06   1174.26  26847.56   1437.55  28658.18   2035.63  222.494 5.9653  229.729 8.1811  -7.234268      10.12504  
1 1 1 1   50  1  o 440.796 7.4342  105461.70  3549.29  107185.80  5020.30  103738.70  5018.62  443.898 10.442  436.670 10.611  7.227997       14.88715  
1 1 1 1   50  2  o 265.334 6.7729  38199.01   1946.42  36079.11   2753.40  40316.63   2751.92  257.591 9.8689  272.356 9.3288  -14.76575      13.58023  
1 1 1 1   50  3  o 121.881 4.1681  8050.76    550.225  8412.96    780.795  7693.45    775.504  124.550 5.7879  118.945 6.0394  5.605225       8.365105  
1 1 1 1   50  4  o 279.844 7.0725  42504.00   2143.66  41516.38   3033.10  43489.64   3030.08  276.252 10.137  282.771 9.8935  -6.519257      14.16476  
1 1 1 1   50  5  o 134.898 3.0687  9859.22    448.370  9790.01    637.532  9926.96    630.704  134.394 4.3798  135.333 4.3028  -0.9388733     6.139764  
1 1 1 1   50  6  o 328.268 5.7192  58449.96   2033.44  57838.67   2876.77  59060.35   2874.66  326.283 8.1403  329.722 8.0495  -3.439606      11.44810  
1 1 1 1   50  7  o 514.655 8.6108  143992.20  4799.87  143046.00  6788.47  144938.00  6787.60  511.961 12.242  515.362 12.160  -3.401215      17.25517  
1 1 1 1   50  8  o 361.104 7.2053  70819.73   2818.08  69922.95   4882.38  71267.77   3450.96  357.755 12.600  361.989 8.8019  -4.233765      15.36998  
1 1 1 1   50  9  o 473.916 9.2308  122242.00  4738.15  123685.40  8208.10  121520.70  5802.54  474.346 15.976  471.912 11.352  2.433746       19.59900  
1 1 1 1   50  10 o 553.820 10.715  167300.30  6427.50  162269.80  7872.66  177356.70  11131.02 544.354 13.353  566.450 18.143  -22.09619      22.52674  
1 1 1 1   50  11 o 451.736 7.6222  110941.70  3729.36  111034.90  5275.62  110848.70  5272.62  451.047 10.799  450.667 10.802  0.3792725      15.27412  
1 1 1 1   50  12 o 13.554  5.7020  10.240     142.278  120.502    214.624  -76.2040   190.036  18.892  7.3314  13.973  6.2220  4.918663       9.615704  
1 1 1 1   50  13 o 200.803 4.2073  21866.50   915.049  22444.39   1225.57  21138.56   1375.52  203.334 5.5649  197.249 6.4384  6.084198       8.510100  
1 1 1 1   50  14 o 220.984 4.3268  26489.50   1035.60  26506.50   1382.24  26467.74   1563.61  220.913 5.7769  220.660 6.5424  0.2526550      8.727804  
1 1 1 1   50  15 o 303.070 5.3504  49881.65   1756.31  47368.27   3511.18  50720.35   2028.28  294.005 11.026  305.474 6.1303  -11.46863      12.61585  
1 1 1 1   50  16 o 98.042  2.9671  5210.87    315.080  4967.85    626.714  5293.07    364.494  95.379  6.0985  98.796  3.4063  -3.417297      6.985332  
1 1 1 1   50  17 o 262.125 5.1342  37350.08   1457.63  36171.59   2723.82  37823.01   1725.49  256.688 9.7972  263.589 6.0439  -6.901367      11.51149  
1 1 1 1   50  18 o 88.929  2.9874  4289.85    287.746  3533.39    543.142  4585.01    339.269  80.240  6.3003  91.915  3.4079  -11.67512      7.162912  
1 1 1 1   50  19 o 117.290 2.9987  7466.20    380.950  6917.76    748.971  7657.60    442.458  112.344 6.1790  118.744 3.4402  -6.399750      7.072129  
1 1 1 1   50  20 f 74.492  2.9351  3013.21    236.811  2662.62    456.349  3142.40    277.030  69.450  6.1296  76.040  3.3637  -6.589592      6.991860  
1 1 1 1   50  21 o 32.209  5.7488  585.635    193.198  934.092    442.227  503.441    214.778  39.973  10.185  29.644  6.8299  10.32878       12.26319  
1 1 1 1   50  22 o 27.716  6.2984  440.086    184.785  279.693    441.534  474.143    203.460  26.981  10.503  28.735  6.6663  -1.754229      12.43987  
1 1 1 1   50  23 o 61.571  3.5353  2074.39    234.771  2646.78    505.327  1916.83    265.121  68.666  6.8873  59.057  4.1716  9.609547       8.052213  
1 1 1 1   50  24 o 95.091  2.8874  4924.37    297.382  4924.77    657.856  4924.27    333.390  93.825  6.5139  95.022  3.2394  -1.197128      7.274951  
1 1 1 1   50  25 o 79.684  2.7965  3460.61    241.358  3411.59    358.305  3501.33    326.563  78.691  4.2194  79.943  3.7715  -1.252640      5.659261  
1 1 1 1   50  26 o 41.384  2.0006  931.132    89.672   1444.16    444.340  909.351    91.556   49.288  8.6384  40.839  2.0767  8.449295       8.884489  
1 1 1 1   50  27 o 45.726  4.7146  1172.36    230.143  1394.06    461.769  1099.09    265.463  47.829  9.2483  43.910  5.7173  3.919083       10.87284  
1 1 1 1   50  28 o 20.417  2.1738  229.840    47.332   530.825    428.642  226.124    47.623   29.694  10.577  20.244  2.2077  9.449909       10.80516  
1 1 1 1   50  29 o 24.219  7.8451  360.260    234.990  60.584     440.950  479.127    277.711  21.873  9.6206  27.408  8.4851  -5.534260      12.82778  
1 1 1 1   50  30 o 40.050  8.1849  1038.17    343.058  0.0000     0.0000   1038.17    343.058  ?       ?       40.050  8.1849  0.000000       8.184856  
1 1 1 1   50  31 o 33.293  9.6462  797.607    367.955  0.0000     0.0000   797.607    367.955  ?       ?       33.293  9.6462  0.000000       9.646230  
1 1 1 1   50  32 o 30.891  9.4558  708.517    345.999  0.0000     0.0000   708.517    345.999  ?       ?       30.891  9.4558  0.000000       9.455750  
1 1 1 1   50  33 o 49.797  7.3626  1628.55    385.132  0.0000     0.0000   1628.55    385.132  ?       ?       49.797  7.3626  0.000000       7.362556  
1 1 1 1   51  0  f 104.132 3.2863  5875.06    370.655  5968.86    455.340  5690.85    638.135  104.949 4.0058  102.274 5.7844  2.674187       7.036046  
1 1 1 1   51  1  o 321.595 7.9451  56161.67   2767.43  58673.97   3913.88  53649.75   3913.60  328.300 11.007  313.853 11.513  14.44727       15.92785  
1 1 1 1   51  2  o 267.555 6.8136  38846.04   1974.50  39842.77   2792.18  37849.03   2792.56  270.704 9.5231  263.817 9.7731  6.887695       13.64558  
1 1 1 1   51  3  o 287.506 7.2061  44868.63   2243.96  45865.71   3175.47  43874.11   3171.41  290.359 10.097  283.957 10.312  6.401703       14.43209  
1 1 1 1   51  4  o 172.969 3.4989  16211.57   655.506  16229.31   928.690  16193.95   925.369  173.015 4.9558  172.827 4.9435  0.1881409      6.999893  
1 1 1 1   51  5  o 235.588 4.3122  30083.92   1100.33  31069.87   1558.88  29104.94   1553.36  239.316 6.0141  231.613 6.1921  7.703125       8.631990  
1 1 1 1   51  6  f 298.237 5.2308  48236.01   1689.68  48605.97   2390.89  47866.87   2388.24  299.172 7.3785  296.884 7.4271  2.288727       10.46923  
1 1 1 1   51  7  o 424.387 8.2996  97900.79   3814.97  102227.90  6610.20  95739.64   4671.49  432.142 14.123  419.258 10.287  12.88324       17.47229  
1 1 1 1   51  8  o 142.094 3.6766  10942.81   565.839  12292.23   983.290  10274.72   691.875  150.503 6.0321  137.657 4.6404  12.84583       7.610498  
1 1 1 1   51  9  o 56.834  4.2572  1761.03    260.156  1506.22    373.226  2001.83    362.827  52.235  6.7552  60.483  5.6021  -8.248989      8.775929  
1 1 1 1   51  10 o 55.701  3.7660  1689.46    225.870  1786.00    288.263  1535.92    363.528  57.195  4.6947  52.789  6.4951  4.406120       8.014100  
1 1 1 1   51  11 o 202.092 4.1791  22144.19   914.747  23021.37   1227.25  21047.68   1372.14  205.965 5.5013  196.863 6.4352  9.102081       8.466202  
1 1 1 1   51  12 o 165.726 3.4881  14887.05   626.112  15438.50   891.272  14349.76   879.752  168.695 4.8779  162.632 4.9944  6.063904       6.981306  
1 1 1 1   51  13 o 147.644 3.2960  11815.53   527.067  12295.94   755.722  11360.53   735.461  150.550 4.6346  144.707 4.6924  5.843002       6.595327  
1 1 1 1   51  14 o 170.205 3.5277  15706.55   650.326  16124.91   926.294  15299.90   913.246  172.361 4.9618  167.890 5.0222  4.471786       7.059874  
1 1 1 1   51  15 o 117.301 3.0178  7458.56    383.415  8039.08    767.871  7265.75    442.530  121.624 5.8291  115.755 3.5297  5.869003       6.814429  
1 1 1 1   51  16 o 232.253 4.5162  29285.72   1136.06  31048.08   2134.32  28589.01   1341.96  238.436 8.2645  229.349 5.4022  9.086639       9.873529  
1 1 1 1   51  17 o 223.909 4.2147  27225.18   1022.13  25795.41   2043.34  27702.35   1180.44  216.988 8.6943  225.767 4.8274  -8.778519      9.944570  
1 1 1 1   51  18 o 79.035  3.0230  3389.05    258.779  3325.62    485.647  3414.20    305.811  77.891  5.7981  79.300  3.5605  -1.409340      6.804069  
1 1 1 1   51  19 f 52.992  2.1250  1522.53    121.968  1292.68    351.628  1553.97    130.041  48.078  6.9546  53.532  2.2428  -5.454613      7.307332  
1 1 1 1   51  20 o 87.236  2.6817  4131.25    253.385  3379.93    527.162  4356.97    288.952  78.244  6.2732  89.562  2.9787  -11.31861      6.944517  
1 1 1 1   51  21 o 109.765 2.9845  6548.76    354.824  6993.10    770.445  6429.14    399.740  112.536 6.3468  108.700 3.3953  3.836441       7.197925  
1 1 1 1   51  22 o 86.750  2.6670  4089.68    250.591  4150.64    551.634  4073.83    281.290  86.617  5.9154  86.542  3.0009  0.7480621E-01  6.633056  
1 1 1 1   51  23 o 117.852 3.0976  7564.26    395.391  8256.86    823.865  7357.00    450.685  121.924 6.2598  116.115 3.5836  5.809090       7.213004  
1 1 1 1   51  24 o 116.229 3.1293  7366.13    393.943  8538.79    807.665  7000.05    451.262  124.006 6.0134  113.156 3.6820  10.85018       7.051073  
1 1 1 1   51  25 o 49.106  1.9387  1310.10    103.114  1138.01    154.978  1446.79    138.124  45.540  3.1616  51.553  2.4737  -6.012550      4.014342  
1 1 1 1   51  26 o 32.832  6.2482  624.932    214.070  1152.39    430.607  451.779    246.718  43.506  9.4118  27.622  7.8670  15.88353       12.26671  
1 1 1 1   51  27 o 19.091  2.3861  201.728    48.259   200.876    422.065  201.739    48.578   24.427  10.007  19.088  2.4029  5.338766       10.29125  
1 1 1 1   51  28 o 33.059  6.6624  651.560    230.316  1481.64    445.543  348.859    269.053  48.980  8.7181  24.533  8.4056  24.44631       12.11030  
1 1 1 1   51  29 o 58.968  4.2469  1967.60    269.426  1636.04    521.045  2088.61    314.775  49.146  10.125  60.371  4.8550  -11.22572      11.22925  
1 1 1 1   51  30 o 32.930  9.3276  746.350    347.812  0.0000     0.0000   746.350    347.812  ?       ?       32.930  9.3276  0.000000       9.327627  
1 1 1 1   51  31 o 15.276  7.1784  -198.4375  303.115  0.0000     0.0000   -198.4375  303.115  ?       ?       15.276  7.1784  0.000000       7.178412  
1 1 1 1   51  32 o 15.906  7.5117  -207.1692  339.324  0.0000     0.0000   -207.1692  339.324  ?       ?       15.906  7.5117  0.000000       7.511743  
1 1 1 1   52  0  o 612.024 14.352  204727.30  9513.74  215738.50  13456.13 193721.50  13452.79 625.651 19.857  592.273 20.971  33.37793       28.88069  
1 1 1 1   52  1  o 466.169 11.118  118344.10  5613.77  118810.40  7940.39  117878.10  7937.77  465.790 15.739  463.940 15.797  1.849884       22.29925  
1 1 1 1   52  2  o 63.551  3.9480  2197.20    270.410  2376.77    386.185  2024.47    378.758  65.979  5.4530  60.817  5.8211  5.161533       7.976208  
1 1 1 1   52  3  o 283.169 4.9426  43473.85   1515.91  43623.57   2143.08  43323.92   2144.56  283.495 6.9795  282.517 7.0085  0.9780579      9.891009  
1 1 1 1   52  4  o 123.326 2.9719  8240.20    396.967  7743.92    562.032  8734.25    560.763  119.526 4.3414  126.946 4.0784  -7.419785      5.956606  
1 1 1 1   52  5  o 52.931  3.0280  1522.91    172.874  1382.01    254.840  1643.03    235.289  50.266  4.7367  54.915  3.9829  -4.649036      6.188735  
1 1 1 1   52  6  o 30.442  5.0580  515.981    160.920  510.660    290.683  518.332    193.231  30.248  8.5131  30.369  6.0865  -0.1217155     10.46509  
1 1 1 1   52  7  o 93.226  3.2415  4709.48    327.309  5092.07    596.240  4544.46    391.587  96.711  5.7176  91.565  3.9484  5.145348       6.948432  
1 1 1 1   52  8  o 304.626 7.6132  50427.57   2511.91  49835.05   3556.94  51017.05   3547.82  302.294 10.864  305.888 10.709  -3.594177      15.25424  
1 1 1 1   52  9  o 161.563 3.9181  14149.52   685.623  14328.28   841.839  13797.35   1181.59  162.542 4.7818  159.383 6.8447  3.159302       8.349576  
1 1 1 1   52  10 o 221.984 4.1831  26716.88   1005.74  27702.74   1425.93  25740.89   1418.77  225.919 5.8274  217.757 6.0155  8.162476       8.375228  
1 1 1 1   52  11 o 172.355 3.5254  16101.48   658.111  17288.06   933.897  14930.97   927.554  178.524 4.8298  165.889 5.1624  12.63533       7.069493  
1 1 1 1   52  12 o 155.749 3.5501  13149.42   598.870  12793.72   819.035  13558.07   877.882  153.559 4.9244  158.068 5.1277  -4.508286      7.109385  
1 1 1 1   52  13 o 232.081 4.3274  29215.31   1087.76  28687.20   1543.23  29736.74   1533.46  229.782 6.2008  233.965 6.0513  -4.183731      8.664190  
1 1 1 1   52  14 o 82.879  3.0725  3723.17    275.803  3998.56    415.068  3505.44    369.062  85.730  4.4857  80.274  4.2600  5.455971       6.186238  
1 1 1 1   52  15 o 208.465 4.8181  23595.09   1087.88  23866.96   1740.62  23420.82   1393.59  209.250 7.6801  207.519 6.2002  1.730377       9.870517  
1 1 1 1   52  16 f 63.315  3.1967  2179.44    218.512  2275.39    437.414  2147.53    252.240  64.339  6.3602  62.805  3.7247  1.533970       7.370647  
1 1 1 1   52  17 o 105.243 2.9020  6006.68    330.793  6328.22    683.966  5908.50    377.934  107.629 5.8896  104.355 3.3437  3.274200       6.772568  
1 1 1 1   52  18 o 152.178 3.3314  12571.42   549.097  11800.25   1096.35  12829.63   634.399  146.859 6.8925  153.675 3.8114  -6.816223      7.876162  
1 1 1 1   52  19 o 241.605 4.4765  31790.45   1171.42  31801.40   2340.34  31786.78   1353.12  239.600 9.0183  241.363 5.1760  -1.763229      10.39807  
1 1 1 1   52  20 o 122.330 3.1015  8131.92    410.935  9196.81    860.693  7817.50    467.683  129.452 6.1386  119.871 3.6022  9.580597       7.117486  
1 1 1 1   52  21 o 15.198  6.2629  40.188     166.550  651.277    420.141  -73.7451   181.412  33.810  10.431  13.545  6.0516  20.26539       12.05974  
1 1 1 1   52  22 o 39.378  4.5220  859.273    189.364  658.238    459.931  900.307    207.793  34.040  10.970  40.249  4.8654  -6.208286      12.00063  
1 1 1 1   52  23 o 62.870  3.2910  2160.39    223.316  2213.23    432.987  2141.24    260.660  62.834  6.4539  62.480  3.8709  0.3542023      7.525764  
1 1 1 1   52  24 o 80.574  2.3886  3530.46    208.450  3385.86    359.584  3603.64    255.820  78.445  4.2480  81.324  2.9043  -2.878784      5.145940  
1 1 1 1   52  25 f 119.105 3.2513  7753.97    419.426  8433.35    858.943  7541.26    480.623  122.377 6.5036  117.268 3.7840  5.109077       7.524354  
1 1 1 1   52  26 o 43.439  1.9861  1026.14    93.445   1258.49    471.147  1016.63    95.339   45.214  9.8955  43.233  2.0360  1.981396       10.10281  
1 1 1 1   52  27 o 45.630  4.7690  1170.80    232.210  1522.63    462.846  1052.46    268.439  50.098  8.8537  42.799  5.9519  7.298912       10.66833  
1 1 1 1   52  28 f 32.156  1.5941  562.367    55.519   493.294    438.384  563.493    55.970   28.713  10.628  32.187  1.6055  -3.473869      10.74873  
1 1 1 1   52  29 o 16.303  7.1527  -2.5284    242.420  0.0000     0.0000   -2.5284    242.420  ?       ?       16.303  7.1527  0.000000       7.152747  
1 1 1 1   52  30 o 28.717  8.9395  558.304    307.774  0.0000     0.0000   558.304    307.774  ?       ?       28.717  8.9395  0.000000       8.939470  
1 1 1 1   52  31 o 32.243  9.4142  748.015    349.268  0.0000     0.0000   748.015    349.268  ?       ?       32.243  9.4142  0.000000       9.414244  
1 1 1 1   52  32 o 24.329  9.0299  409.116    316.877  0.0000     0.0000   409.116    316.877  ?       ?       24.329  9.0299  0.000000       9.029924  
1 1 1 1   53  0  o 181.048 5.1466  17773.25   1009.21  18040.65   1423.04  17502.66   1431.48  182.296 7.2073  179.548 7.3609  2.748108       10.30186  
1 1 1 1   53  1  o 448.606 10.725  109578.50  5211.07  111560.40  7370.29  107597.40  7368.83  451.457 15.073  443.279 15.348  8.177765       21.51174  
1 1 1 1   53  2  o 157.866 3.8833  13506.17   663.992  13568.12   1149.59  13475.15   813.391  158.114 6.7128  157.656 4.7634  0.4580231      8.231132  
1 1 1 1   53  3  o 396.728 7.8070  85493.52   3354.65  83558.99   5811.55  86460.22   4108.19  390.987 13.723  398.674 9.5140  -7.686584      16.69866  
1 1 1 1   53  4  o 147.584 3.6844  11803.77   588.945  13913.63   1024.97  10763.81   719.599  160.144 5.9092  140.901 4.7153  19.24286       7.559908  
1 1 1 1   53  5  o 335.258 6.6867  61014.27   2428.06  64989.65   4209.88  59032.75   2972.21  345.255 11.258  329.553 8.3269  15.70175       14.00284  
1 1 1 1   53  6  f 331.486 6.6416  59652.57   2384.57  62253.80   4133.94  58355.48   2919.17  337.858 11.297  327.649 8.2258  10.20895       13.97443  
1 1 1 1   53  7  o 85.724  3.2409  3982.09    300.909  3596.36    524.724  4171.10    367.305  81.184  6.0101  87.723  3.8658  -6.538956      7.146071  
1 1 1 1   53  8  o 316.947 8.8513  54661.86   3038.52  56805.39   3678.20  50055.75   5391.84  322.784 10.521  301.067 16.599  21.71747       19.65248  
1 1 1 1   53  9  o 315.043 6.7728  53908.36   2311.03  55339.76   2566.72  47778.42   5311.60  319.103 7.4264  293.937 16.753  25.16565       18.32558  
1 1 1 1   53  10 o 131.023 3.1041  9302.92    440.509  9379.56    630.167  9229.68    616.022  131.517 4.4239  130.465 4.3595  1.052521       6.210927  
1 1 1 1   53  11 o 127.788 3.1140  8849.64    431.005  9010.10    618.325  8698.00    601.106  128.895 4.4291  126.645 4.3822  2.250168       6.230592  
1 1 1 1   53  12 o 57.191  3.2396  1778.45    199.846  1755.56    288.756  1799.49    276.867  56.687  4.7467  57.424  4.4872  -0.7362671     6.531909  
1 1 1 1   53  13 o 86.236  3.0120  4030.57    281.325  4070.95    411.787  3995.23    385.246  86.515  4.4091  85.826  4.1443  0.6888428      6.051078  
1 1 1 1   53  14 o 117.662 3.0822  7504.55    392.800  8665.81    572.630  6472.52    539.827  126.389 4.1831  109.212 4.5637  17.17707       6.190751  
1 1 1 1   53  15 o 38.406  5.4576  817.458    220.636  1114.96    418.550  702.974    259.640  44.378  9.0153  35.312  7.0357  9.066265       11.43576  
1 1 1 1   53  16 o 172.298 3.6955  16108.27   689.633  17759.59   1322.56  15491.61   808.205  180.500 6.7650  168.897 4.4180  11.60323       8.079876  
1 1 1 1   53  17 o 433.086 7.3551  102580.30  3450.12  106778.40  6901.51  101181.60  3983.61  435.599 14.628  429.375 8.5658  6.224396       16.95151  
1 1 1 1   53  18 o 184.395 3.7090  18472.82   740.756  17996.89   1483.00  18631.04   855.064  181.092 7.5609  185.088 4.2653  -3.995895      8.681010  
1 1 1 1   53  19 o 93.168  2.7344  4711.37    275.927  4637.23    573.756  4733.68    314.709  91.895  5.7942  93.357  3.1124  -1.461708      6.577206  
1 1 1 1   53  20 o 71.602  3.2192  2787.25    249.657  3366.19    551.528  2638.05    279.984  77.944  6.5949  69.515  3.7323  8.428947       7.577800  
1 1 1 1   53  21 o 45.756  1.9137  1135.62    94.839   1196.15    464.101  1132.98    96.883   45.256  9.7555  45.701  1.9573  -0.4445992     9.949876  
1 1 1 1   53  22 o 32.098  1.7683  560.569    61.238   934.013    447.871  553.454    61.819   39.675  10.323  31.890  1.7971  7.784565       10.47867  
1 1 1 1   53  23 o ?       ?       -233.4491  28.676   -239.6079  29.010   29.046     189.393  ?       ?       15.758  6.6015  0.000000       6.601457  
1 1 1 1   53  24 o 81.483  2.6722  3615.08    235.830  3807.69    359.819  3470.03    312.246  83.351  3.9857  79.652  3.6193  3.698189       5.383809  
1 1 1 1   53  25 o 88.404  2.8332  4263.24    271.285  5070.66    656.893  4097.22    297.874  94.804  6.4354  86.586  3.1763  8.218842       7.176561  
1 1 1 1   53  26 o 22.321  7.2413  280.102    200.152  -319.9958  465.729  416.045    221.667  19.578  9.1003  26.531  7.4225  -6.952858      11.74349  
1 1 1 1   53  27 o ?       ?       -144.8530  31.163   169.609    437.515  -146.4565  31.242   24.105  10.060  ?       ?       0.000000       10.06037  
1 1 1 1   53  28 o 60.488  4.1625  2052.18    271.043  1655.38    541.698  2184.70    313.048  50.111  10.324  62.137  4.6859  -12.02604      11.33772  
1 1 1 1   53  29 o 13.486  6.4042  -250.6296  253.274  0.0000     0.0000   -250.6296  253.274  ?       ?       13.486  6.4042  0.000000       6.404198  
1 1 1 1   53  30 o 39.109  8.5144  1014.13    350.433  0.0000     0.0000   1014.13    350.433  ?       ?       39.109  8.5144  0.000000       8.514392  
1 1 1 1   53  31 o 17.345  7.7366  2.2017     295.162  0.0000     0.0000   2.2017     295.162  ?       ?       17.345  7.7366  0.000000       7.736599  
1 1 1 1   53  32 o 18.417  8.2258  35.617     334.909  0.0000     0.0000   35.617     334.909  ?       ?       18.417  8.2258  0.000000       8.225832  
1 1 1 1   54  0  o 165.374 4.8462  14828.04   868.042  15038.49   1227.51  14617.53   1227.68  166.449 6.8089  164.097 6.9074  2.351654       9.699104  
1 1 1 1   54  1  o 198.394 5.4503  21347.32   1171.18  20952.79   1657.51  21740.69   1655.07  196.400 7.7919  200.070 7.6377  -3.670486      10.91097  
1 1 1 1   54  2  o 270.009 5.5937  39544.57   1635.86  41421.33   2833.59  38606.40   2003.43  275.930 9.4813  266.672 6.9363  9.258026       11.74763  
1 1 1 1   54  3  o 332.884 6.6866  60149.88   2410.85  62950.81   4177.64  58751.35   2952.00  339.804 11.351  328.786 8.2896  11.01819       14.05565  
1 1 1 1   54  4  o 195.252 4.3735  20666.84   924.909  22370.79   1605.73  19820.80   1131.46  202.956 7.3047  191.159 5.4648  11.79739       9.122628  
1 1 1 1   54  5  o 271.594 5.6384  40016.57   1658.63  39358.59   2875.92  40344.50   2030.30  268.867 9.8757  272.589 6.8767  -3.721802      12.03411  
1 1 1 1   54  6  o 197.446 5.4347  21148.32   1162.24  21085.01   1648.80  21210.84   1638.57  196.979 7.7282  197.572 7.6572  -0.5930939     10.87923  
1 1 1 1   54  7  o 269.567 6.8641  39463.64   2004.10  39217.90   2837.65  39708.21   2830.81  268.340 9.7634  270.025 9.6791  -1.685394      13.74811  
1 1 1 1   54  8  o 252.257 5.3075  34521.68   1450.11  34473.62   1777.70  34617.25   2506.93  251.969 6.5139  252.165 9.1789  -0.1953735     11.25533  
1 1 1 1   54  9  o 85.113  2.8747  3925.25    265.006  4426.60    383.673  3467.85    366.468  90.364  3.9201  79.861  4.2520  10.50240       5.783328  
1 1 1 1   54  10 o 219.477 4.1445  26117.90   985.227  27308.00   1397.19  24940.88   1389.49  224.298 5.7512  214.336 5.9853  9.962097       8.300650  
1 1 1 1   54  11 o 193.265 4.0773  20253.17   853.495  20611.96   1146.38  19806.96   1278.44  194.875 5.4313  190.969 6.1808  3.905899       8.228080  
1 1 1 1   54  12 o 324.336 5.6637  57120.74   1989.60  56785.00   2815.93  57455.43   2811.53  322.942 8.0506  324.855 7.9907  -1.913788      11.34294  
1 1 1 1   54  13 o 226.339 4.2360  27788.97   1038.44  28450.28   1473.33  27136.13   1463.88  228.834 5.9444  223.474 6.0479  5.360229       8.480184  
1 1 1 1   54  14 f 253.635 4.5502  34915.10   1250.00  36201.71   1773.76  33645.75   1761.82  257.998 6.3476  248.690 6.5408  9.307190       9.114520  
1 1 1 1   54  15 o 119.440 3.5245  7737.73    455.947  8268.17    787.076  7469.82    559.361  123.293 5.8940  117.302 4.4027  5.990944       7.356769  
1 1 1 1   54  16 o 123.315 3.0554  8247.09    408.089  9552.23    824.388  7823.46    469.671  132.472 5.7456  120.072 3.6115  12.40018       6.786377  
1 1 1 1   54  17 o 111.499 2.9978  6744.64    362.032  6855.07    731.170  6708.77    416.697  111.941 6.0531  111.169 3.4607  0.7717361      6.972548  
1 1 1 1   54  18 o 65.576  3.0349  2334.27    215.557  2355.50    435.412  2327.38    248.092  65.341  6.2277  65.359  3.5175  -0.1794434E-01 7.152451  
1 1 1 1   54  19 o 114.610 3.0108  7134.51    373.749  7345.89    739.994  7062.12    433.043  115.662 5.9269  113.968 3.5082  1.694687       6.887323  
1 1 1 1   54  20 o 29.918  5.6763  506.621    177.208  375.497    437.751  532.320    193.798  28.656  10.618  30.614  6.0591  -1.958809      12.22494  
1 1 1 1   54  21 o 79.669  3.1458  3453.11    271.454  4135.99    591.920  3271.25    305.471  86.360  6.3733  77.483  3.6399  8.876762       7.339449  
1 1 1 1   54  22 o 25.886  7.0058  385.331    201.212  35.488     444.135  475.679    225.703  23.345  9.9583  28.672  7.2604  -5.326826      12.32400  
1 1 1 1   54  23 o 90.595  3.1393  4473.30    308.044  4871.90    651.262  4358.43    349.628  93.374  6.4797  89.332  3.6135  4.042114       7.419183  
1 1 1 1   54  24 o ?       ?       -248.2296  45.629   518.534    449.367  -256.2177  45.866   30.751  10.843  ?       ?       0.000000       10.84308  
1 1 1 1   54  25 o 107.073 3.1610  6267.18    366.592  6275.65    769.244  6264.69    416.988  105.199 6.7874  106.904 3.6013  -1.704346      7.683655  
1 1 1 1   54  26 o 23.388  7.4192  312.709    211.005  23.024     466.476  387.229    236.593  23.067  10.025  25.711  7.8086  -2.644226      12.70726  
1 1 1 1   54  27 o 66.347  3.7936  2438.44    271.482  2827.78    577.287  2327.89    307.621  69.059  7.8578  64.560  4.4260  4.499130       9.018579  
1 1 1 1   54  28 o 36.121  2.1401  715.314    83.354   907.840    509.331  710.016    84.493   35.847  11.543  35.979  2.1785  -0.1315689     11.74713  
1 1 1 1   54  29 o 24.621  8.7335  375.372    291.939  0.0000     0.0000   375.372    291.939  ?       ?       24.621  8.7335  0.000000       8.733494  
1 1 1 1   54  30 o 56.276  5.9512  1896.81    357.237  0.0000     0.0000   1896.81    357.237  ?       ?       56.276  5.9512  0.000000       5.951180  
1 1 1 1   54  31 o 25.388  9.3295  443.968    336.754  0.0000     0.0000   443.968    336.754  ?       ?       25.388  9.3295  0.000000       9.329504  
1 1 1 1   54  32 o 20.271  8.4538  194.982    308.596  0.0000     0.0000   194.982    308.596  ?       ?       20.271  8.4538  0.000000       8.453754  
1 1 1 1   55  0  o 53.838  3.4351  1577.07    199.262  1569.88    234.901  1595.52    376.286  53.664  4.0718  53.818  6.5932  -0.1544266     7.749209  
1 1 1 1   55  1  o 424.098 8.2519  97750.56   3790.44  96022.65   4642.58  101205.30  6564.52  419.937 10.207  430.063 14.093  -10.12637      17.40103  
1 1 1 1   55  2  o 349.625 8.5072  66451.87   3221.50  69645.73   4558.20  63264.47   4553.57  357.303 11.778  340.418 12.350  16.88550       17.06618  
1 1 1 1   55  3  o 257.577 6.5784  36013.52   1835.27  37505.90   2598.30  34527.63   2592.65  262.576 9.1361  251.889 9.5031  10.68715       13.18246  
1 1 1 1   55  4  o 310.722 7.7191  52458.49   2597.81  52435.46   3676.16  52481.46   3671.56  310.139 10.944  310.278 10.925  -0.1394653     15.46372  
1 1 1 1   55  5  o 559.673 13.199  171326.41  8000.76  176856.59  11317.30 165801.20  11312.28 565.964 18.462  547.637 19.072  18.32684       26.54391  
1 1 1 1   55  6  o 272.438 6.8811  40308.19   2030.46  41556.56   2875.87  39067.38   2867.15  276.258 9.6114  267.814 9.8843  8.443481       13.78688  
1 1 1 1   55  7  o 183.921 4.2549  18339.40   847.598  17953.23   1040.48  19101.21   1461.40  181.919 5.2806  187.508 7.1958  -5.588516      8.925483  
1 1 1 1   55  8  o 319.545 6.4134  55444.06   2219.68  55223.77   2719.38  55883.83   3842.24  318.695 7.8782  319.969 11.087  -1.273834      13.60084  
1 1 1 1   55  9  o 375.076 6.4447  76401.03   2618.14  76337.02   3703.51  76464.98   3701.72  374.389 9.1331  374.705 9.1210  -0.3164368     12.90764  
1 1 1 1   55  10 o 114.013 2.9754  7044.10    367.429  7141.91    523.987  6949.48    515.367  114.765 4.2154  113.208 4.2031  1.556160       5.952802  
1 1 1 1   55  11 o 335.916 5.8506  61273.86   2128.65  60299.48   3011.58  62246.66   3009.14  332.767 8.3557  338.128 8.2166  -5.360779      11.71879  
1 1 1 1   55  12 o 42.601  2.0279  983.195    93.572   848.024    273.358  1001.14    99.588   38.946  6.7233  42.987  2.1389  -4.040798      7.055320  
1 1 1 1   55  13 o 177.805 3.8680  17145.77   744.899  17285.57   1008.26  16977.78   1105.31  178.423 5.2174  176.776 5.7729  1.647659       7.781180  
1 1 1 1   55  14 o 92.602  2.8227  4648.08    283.108  4917.62    445.363  4465.32    366.742  95.192  4.3196  90.733  3.7319  4.459129       5.708383  
1 1 1 1   55  15 o 237.316 4.3972  30579.60   1130.25  29962.20   1602.44  31190.84   1594.42  234.584 6.3068  239.377 6.1497  -4.793015      8.808785  
1 1 1 1   55  16 f 231.837 4.3467  29201.07   1091.48  28119.14   2191.90  29557.81   1258.63  226.334 8.9413  233.131 4.9846  -6.797501      10.23682  
1 1 1 1   55  17 o 94.218  2.9780  4816.54    303.899  4413.32    599.813  4955.79    352.491  89.693  6.2126  95.542  3.4063  -5.849365      7.085124  
1 1 1 1   55  18 o 66.346  2.4156  2387.63    173.586  1860.57    435.683  2487.09    189.257  57.796  7.1098  67.706  2.5808  -9.910004      7.563746  
1 1 1 1   55  19 o 58.878  3.1620  1889.20    200.906  1657.20    405.077  1964.89    231.368  54.428  7.0361  59.998  3.5766  -5.569805      7.893020  
1 1 1 1   55  20 o 133.827 3.1697  9738.96    459.446  10550.26   941.827  9485.59    526.320  138.460 6.2802  131.980 3.6819  6.480423       7.279954  
1 1 1 1   55  21 o 127.618 3.1736  8863.09    438.667  9961.12    901.997  8522.93    502.036  134.375 6.1975  125.034 3.7071  9.340828       7.221602  
1 1 1 1   55  22 o 76.667  2.6022  3195.54    216.085  2618.73    578.871  3288.93    232.922  67.872  8.0302  77.759  2.7656  -9.887779      8.493053  
1 1 1 1   55  23 o 27.416  6.5450  435.125    191.660  833.372    451.833  347.746    211.644  37.256  10.659  24.690  7.3602  12.56581       12.95302  
1 1 1 1   55  24 f 36.809  4.9994  761.632    194.158  1021.81    475.423  709.554    212.705  40.819  10.644  35.297  5.7626  5.521732       12.10347  
1 1 1 1   55  25 o 18.104  6.8760  138.822    186.021  195.211    454.354  127.466    203.893  25.206  10.361  18.309  7.1344  6.897202       12.57950  
1 1 1 1   55  26 o 71.516  3.6152  2817.35    279.123  2904.42    591.076  2792.36    316.654  70.468  7.8791  71.013  4.1349  -0.5447083     8.898167  
1 1 1 1   55  27 o 66.990  3.8304  2490.26    276.770  1597.35    581.034  2752.33    314.776  49.287  11.145  70.291  4.1530  -21.00372      11.89405  
1 1 1 1   55  28 o 51.607  4.7585  1520.86    262.983  1836.55    544.029  1424.60    300.415  52.689  9.8964  49.376  5.7235  3.312695       11.43231  
1 1 1 1   55  29 o 25.826  9.1545  425.213    320.709  0.0000     0.0000   425.213    320.709  ?       ?       25.826  9.1545  0.000000       9.154459  
1 1 1 1   55  30 o 52.134  6.7571  1678.55    372.578  0.0000     0.0000   1678.55    372.578  ?       ?       52.134  6.7571  0.000000       6.757134  
1 1 1 1   55  31 o 24.581  8.9350  409.005    307.668  0.0000     0.0000   409.005    307.668  ?       ?       24.581  8.9350  0.000000       8.934951  
1 1 1 1   55  32 o 15.907  7.3454  -102.3012  296.053  0.0000     0.0000   -102.3012  296.053  ?       ?       15.907  7.3454  0.000000       7.345418  
1 1 1 1   56  0  o 256.598 5.3654  35712.49   1491.16  34472.80   1826.72  38188.40   2581.56  251.996 6.6928  264.971 8.9952  -12.97531      11.21197  
1 1 1 1   56  1  f 345.745 6.7950  64899.36   2544.58  62431.78   3116.53  69833.84   4407.14  338.871 8.4912  357.844 11.371  -18.97290      14.19141  
1 1 1 1   56  2  o 240.636 5.0533  31403.01   1317.07  30857.80   1613.26  32492.69   2280.73  238.449 6.2465  244.449 8.6142  -5.999023      10.64066  
1 1 1 1   56  3  o 250.268 5.2635  33972.48   1426.76  33242.07   1747.65  35432.13   2470.57  247.460 6.5205  255.214 8.9376  -7.754288      11.06333  
1 1 1 1   56  4  o 237.263 5.0559  30530.58   1299.26  30725.17   1592.15  30142.68   2247.87  237.932 6.1782  235.400 8.8165  2.532135       10.76568  
1 1 1 1   56  5  o 393.142 7.7214  83996.97   3287.86  85823.45   4027.98  80350.42   5691.42  397.065 9.3660  383.068 13.717  13.99686       16.60997  
1 1 1 1   56  6  o 73.405  3.2090  2919.85    255.130  2794.23    317.889  3147.24    427.675  71.676  4.1120  75.991  5.2280  -4.314751      6.651303  
1 1 1 1   56  7  o 440.422 8.5503  105533.30  4078.69  107475.30  4996.40  101654.00  7061.55  443.967 10.390  430.128 15.158  13.83926       18.37707  
1 1 1 1   56  8  o 185.664 3.6852  18684.76   741.067  19371.91   1051.41  18006.38   1044.68  188.967 5.1371  182.175 5.2945  6.791794       7.377045  
1 1 1 1   56  9  o 190.668 3.7794  19707.36   780.491  18566.60   1105.66  20840.40   1101.91  184.962 5.5191  195.985 5.1910  -11.02299      7.576750  
1 1 1 1   56  10 o 263.227 5.0099  37594.43   1428.32  38353.12   1890.27  36584.78   2180.61  265.689 6.5687  259.324 7.7636  6.364563       10.16964  
1 1 1 1   56  11 o 272.625 4.8767  40330.18   1440.00  40982.03   2039.80  39682.57   2033.14  274.554 6.8595  270.152 6.9485  4.401581       9.763892  
1 1 1 1   56  12 o 164.930 3.4881  14747.36   623.104  14692.30   887.839  14800.80   874.711  164.528 4.9822  165.141 4.8903  -0.6130981     6.981271  
1 1 1 1   56  13 o 223.409 4.2082  27079.55   1018.28  27758.36   1443.34  26406.87   1436.81  225.992 5.8967  220.406 6.0187  5.586777       8.425896  
1 1 1 1   56  14 o 40.159  4.3197  885.407    184.936  710.687    281.241  1018.51    245.470  35.439  7.5578  42.958  5.3948  -7.519203      9.285634  
1 1 1 1   56  15 o 208.972 4.0211  23705.54   910.128  23229.29   1295.16  24170.13   1279.22  206.599 5.7880  210.773 5.6035  -4.174835      8.056034  
1 1 1 1   56  16 o 118.099 3.0421  7566.28    389.124  8611.34    781.438  7221.70    448.713  125.714 5.7390  115.339 3.5919  10.37499       6.770389  
1 1 1 1   56  17 o 79.647  3.0037  3442.72    259.119  3212.98    509.880  3522.71    300.867  76.434  6.2128  80.540  3.4490  -4.106102      7.105906  
1 1 1 1   56  18 o 90.563  2.9096  4452.80    285.395  4275.60    570.448  4511.96    329.612  88.183  6.0083  91.126  3.3396  -2.942780      6.874078  
1 1 1 1   56  19 o 145.555 3.2919  11518.72   518.969  12194.58   1087.33  11319.33   590.578  148.834 6.7451  144.200 3.7813  4.634201       7.732705  
1 1 1 1   56  20 o 38.347  4.5529  814.340    185.405  909.540    416.957  790.878    206.995  39.432  9.8044  37.653  5.2157  1.779251       11.10537  
1 1 1 1   56  21 o 52.704  3.7432  1522.56    212.290  1642.19    497.577  1495.94    234.725  53.354  8.9257  52.160  4.1902  1.194351       9.860298  
1 1 1 1   56  22 f 47.304  4.0759  1232.61    206.791  618.933    485.218  1368.81    228.589  33.302  11.289  49.826  4.2772  -16.52370      12.07175  
1 1 1 1   56  23 o 76.590  3.2254  3200.36    267.566  3174.20    590.609  3207.12    300.133  74.797  7.3868  76.598  3.6176  -1.801773      8.225122  
1 1 1 1   56  24 o 95.600  3.1163  4990.28    322.678  5636.50    693.402  4811.66    364.556  100.090 6.4303  93.747  3.5903  6.342331       7.364718  
1 1 1 1   56  25 o 45.914  4.2333  1171.50    208.148  2037.74    498.600  988.669    229.063  59.036  8.0040  41.880  5.1589  17.15599       9.522516  
1 1 1 1   56  26 o 30.785  7.0164  562.523    228.743  943.077    482.788  452.367    259.748  38.388  11.028  27.516  8.1428  10.87174       13.70868  
1 1 1 1   56  27 o 24.213  7.6591  349.117    224.994  -183.7932  483.583  496.348    254.181  20.722  9.5025  28.397  7.9496  -7.675240      12.38922  
1 1 1 1   56  28 o 30.866  7.1175  591.130    233.085  224.310    504.016  690.922    262.885  24.720  10.578  33.226  7.4848  -8.505478      12.95834  
1 1 1 1   56  29 o 69.419  5.1321  2791.77    383.134  0.0000     0.0000   2791.77    383.134  ?       ?       69.419  5.1321  0.000000       5.132103  
1 1 1 1   56  30 o 50.718  6.3746  1572.61    342.439  0.0000     0.0000   1572.61    342.439  ?       ?       50.718  6.3746  0.000000       6.374606  
1 1 1 1   56  31 o 27.694  9.4334  558.824    338.853  0.0000     0.0000   558.824    338.853  ?       ?       27.694  9.4334  0.000000       9.433374  
1 1 1 1   57  0  o 245.221 4.4753  32601.96   1188.63  33324.46   1682.21  31881.56   1679.75  247.790 6.2680  242.355 6.3992  5.435089       8.957496  
1 1 1 1   57  1  o 241.348 4.4391  31579.74   1160.39  31697.38   1642.07  31462.40   1640.01  241.663 6.2735  240.765 6.2890  0.8987427      8.883072  
1 1 1 1   57  2  o 293.733 5.9915  46819.99   1906.17  46234.51   2333.99  47992.71   3303.23  291.737 7.3865  296.803 10.275  -5.066803      12.65482  
1 1 1 1   57  3  o 413.538 8.0256  92957.52   3594.70  91050.99   4402.50  96771.08   6226.48  408.870 9.9413  420.454 13.673  -11.58411      16.90480  
1 1 1 1   57  4  f 18.876  6.2796  182.491    150.169  202.240    177.459  132.680    281.831  20.101  6.8268  21.129  8.3414  -1.028154      10.77890  
1 1 1 1   57  5  o 391.311 7.6970  83222.78   3262.23  84033.41   3996.25  81603.59   5647.96  392.868 9.3915  386.051 13.508  6.817719       16.45157  
1 1 1 1   57  6  o 159.497 3.9082  13789.91   675.150  13792.33   830.781  13785.19   1158.61  159.472 4.8099  159.321 6.7142  0.1509094      8.259253  
1 1 1 1   57  7  o 320.272 5.5773  55661.86   1934.69  55847.01   2737.02  55476.97   2735.11  320.480 7.8851  319.413 7.9059  1.066925       11.16593  
1 1 1 1   57  8  o 124.160 3.0230  8353.56    406.532  8059.95    577.081  8642.82    572.788  121.917 4.3702  126.255 4.1887  -4.337997      6.053412  
1 1 1 1   57  9  o 238.743 4.3802  30910.69   1132.65  32636.78   1603.50  29191.84   1600.13  245.164 6.0387  231.829 6.3726  13.33475       8.779289  
1 1 1 1   57  10 o 148.768 3.2689  11995.70   526.728  12443.58   747.611  11554.23   742.229  151.459 4.5573  145.939 4.6957  5.520172       6.543577  
1 1 1 1   57  11 o 232.733 4.3130  29380.16   1087.20  30273.62   1542.01  28496.98   1533.11  236.065 6.0309  229.016 6.1807  7.049576       8.635570  
1 1 1 1   57  12 o 286.197 5.0987  44468.47   1580.51  44778.16   2238.58  44160.66   2231.80  286.836 7.2056  284.846 7.2339  1.990173       10.21029  
1 1 1 1   57  13 o 172.894 3.5699  16211.03   668.507  17040.21   946.050  15384.07   944.775  177.148 4.9307  168.296 5.1830  8.852142       7.153721  
1 1 1 1   57  14 o 225.338 4.2277  27563.01   1031.83  28697.78   1462.97  26439.80   1455.51  229.679 5.8809  220.421 6.0966  9.257996       8.470786  
1 1 1 1   57  15 o 161.561 3.5856  14164.87   627.434  14518.08   862.240  13767.34   914.736  163.419 4.8714  159.081 5.3089  4.338379       7.205241  
1 1 1 1   57  16 o 49.567  3.3901  1339.84    180.911  1445.73    367.041  1305.86    207.922  50.989  6.8167  48.868  3.9624  2.120960       7.884700  
1 1 1 1   57  17 o 115.866 2.9739  7286.78    373.211  7634.61    754.828  7174.24    429.364  118.207 5.8957  114.923 3.4495  3.284775       6.830637  
1 1 1 1   57  18 o 80.459  2.9961  3515.94    261.099  3380.98    551.105  3555.00    296.485  78.211  6.5665  80.873  3.3848  -2.662514      7.387565  
1 1 1 1   57  19 o 57.269  3.3845  1790.11    209.001  2478.02    469.900  1620.46    233.354  66.785  6.5817  54.392  3.9888  12.39309       7.696043  
1 1 1 1   57  20 o 142.974 3.3116  11124.45   512.817  11670.98   1035.12  10946.68   590.356  145.404 6.5727  141.706 3.8464  3.697906       7.615493  
1 1 1 1   57  21 o 57.409  3.6603  1804.80    226.408  1487.44    492.168  1889.99    254.991  50.538  9.3353  58.685  4.0363  -8.146824      10.17049  
1 1 1 1   57  22 o 69.988  3.2712  2670.28    247.967  2960.48    557.956  2598.85    276.805  72.458  7.2051  68.881  3.7241  3.577599       8.110655  
1 1 1 1   57  23 o 47.074  1.9848  1203.57    101.197  1228.44    484.287  1202.44    103.481  45.151  10.150  47.049  2.0307  -1.897518      10.35089  
1 1 1 1   57  24 o 34.014  5.6062  659.264    199.339  572.407    469.938  678.321    220.123  31.771  11.096  34.357  6.1408  -2.585640      12.68227  
1 1 1 1   57  25 o 24.918  6.6793  363.810    183.940  276.627    463.071  380.143    200.430  26.480  10.614  25.445  7.0364  1.034668       12.73449  
1 1 1 1   57  26 o 50.086  2.6325  1374.02    142.308  1492.55    531.073  1364.85    147.710  48.617  10.400  49.894  2.7439  -1.277214      10.75596  
1 1 1 1   57  27 o 19.790  7.5017  187.332    221.149  169.749    476.133  192.169    249.719  24.253  10.327  20.471  7.9181  3.782551       13.01350  
1 1 1 1   57  28 o 82.260  4.2631  3821.40    378.529  0.0000     0.0000   3821.40    378.529  ?       ?       82.260  4.2631  0.000000       4.263148  
1 1 1 1   57  29 o 17.844  8.0132  -36.7603   322.436  0.0000     0.0000   -36.7603   322.436  ?       ?       17.844  8.0132  0.000000       8.013206  
1 1 1 1   57  30 o 20.893  8.7014  190.972    326.318  0.0000     0.0000   190.972    326.318  ?       ?       20.893  8.7014  0.000000       8.701420  
1 1 1 1   57  31 o 44.163  7.2784  1258.43    336.018  0.0000     0.0000   1258.43    336.018  ?       ?       44.163  7.2784  0.000000       7.278376  
1 1 1 1   58  0  o 141.286 4.4797  10822.94   685.526  11071.12   966.680  10571.86   972.305  142.819 6.2492  139.552 6.4327  3.266785       8.968458  
1 1 1 1   58  1  o 56.335  2.9402  1724.21    178.779  1863.70    249.220  1576.32    256.606  58.503  3.9563  53.737  4.4489  4.766541       5.953553  
1 1 1 1   58  2  o 176.395 3.5624  16863.08   680.607  17650.82   962.223  16074.37   962.825  180.407 4.9244  172.150 5.1638  8.256927       7.135426  
1 1 1 1   58  3  o 133.546 3.0613  9663.77    442.802  9516.74    623.680  9813.21    628.784  132.489 4.3462  134.538 4.3151  -2.048981      6.124483  
1 1 1 1   58  4  o 486.818 8.1940  128868.00  4320.48  127505.20  6110.77  130230.10  6109.38  483.224 11.676  488.404 11.549  -5.179504      16.42254  
1 1 1 1   58  5  o 222.881 4.1667  26931.41   1005.86  27526.06   1423.75  26338.83   1421.27  225.211 5.8368  220.291 5.9567  4.920059       8.339714  
1 1 1 1   58  6  o 286.944 5.0965  44664.64   1583.94  44788.26   2242.34  44541.54   2237.72  287.100 7.2110  286.308 7.2161  0.7924805      10.20153  
1 1 1 1   58  7  o 251.128 4.5817  34201.23   1246.21  34631.00   1764.74  33773.73   1760.09  252.526 6.4521  249.374 6.5165  3.152145       9.170328  
1 1 1 1   58  8  o 198.854 3.8708  21437.48   833.701  21228.16   1180.27  21645.91   1177.80  197.773 5.5099  199.715 5.4449  -1.941544      7.746356  
1 1 1 1   58  9  o 84.526  2.6989  3871.38    247.087  3493.41    383.041  4140.75    323.358  80.134  4.4304  87.403  3.4158  -7.268562      5.594306  
1 1 1 1   58  10 o 142.171 3.2543  10955.81   501.117  11449.22   715.904  10481.81   701.682  145.276 4.5498  138.997 4.6609  6.278946       6.513380  
1 1 1 1   58  11 o 362.398 6.2278  71371.57   2444.52  72982.97   3459.42  69764.52   3454.74  365.853 8.7302  357.642 8.9186  8.210876       12.48032  
1 1 1 1   58  12 o 145.432 3.3701  11467.47   530.858  11839.32   732.565  11056.28   770.352  147.698 4.5793  142.702 4.9841  4.996277       6.768454  
1 1 1 1   58  13 o 155.331 3.4726  13085.16   584.221  13698.35   803.403  12397.04   851.084  158.837 4.6699  151.057 5.2019  7.779861       6.990569  
1 1 1 1   58  14 o 141.561 3.3529  10869.83   514.090  10568.90   714.782  11192.31   739.937  139.476 4.7315  143.528 4.7598  -4.051865      6.711413  
1 1 1 1   58  15 o 86.062  3.0234  4017.63    281.824  4317.89    416.911  3764.98    382.434  89.145  4.3180  83.137  4.2614  6.007469       6.066667  
1 1 1 1   58  16 o 90.415  3.3367  4438.04    326.763  4352.91    559.828  4482.03    402.427  89.133  5.8310  90.806  4.0917  -1.672859      7.123383  
1 1 1 1   58  17 o 80.670  2.8721  3532.26    250.947  3846.57    513.500  3433.64    287.634  83.714  5.6972  79.504  3.3403  4.210396       6.604231  
1 1 1 1   58  18 o 31.025  4.8728  537.878    158.346  684.559    318.266  489.625    182.543  34.463  8.5641  29.379  5.9408  5.083832       10.42291  
1 1 1 1   58  19 o 110.624 3.0215  6651.44    362.030  7030.23    757.453  6539.29    412.155  112.907 6.2179  109.624 3.4713  3.282806       7.121223  
1 1 1 1   58  20 o 75.849  2.6237  3125.65    215.543  3541.63    543.755  3048.11    234.776  79.882  6.3367  74.876  2.8950  5.006386       6.966660  
1 1 1 1   58  21 o 80.836  2.6882  3552.89    235.363  4124.37    574.470  3437.61    258.012  86.151  6.1979  79.476  2.9973  6.675682       6.884654  
1 1 1 1   58  22 o 46.041  4.2845  1171.34    211.202  942.241    465.694  1230.66    236.974  39.577  10.636  47.107  4.7076  -7.530037      11.63113  
1 1 1 1   58  23 o 68.767  3.3490  2583.34    249.440  2651.35    563.316  2566.75    278.202  68.003  7.7886  68.366  3.7716  -0.3637695     8.653775  
1 1 1 1   58  24 o 41.248  4.5563  949.650    200.158  985.909    483.793  942.162    219.857  39.840  10.897  40.942  5.0661  -1.102085      12.01723  
1 1 1 1   58  25 o 42.051  2.1006  962.047    95.673   1215.09    494.543  952.208    97.515   44.120  10.501  41.775  2.1626  2.344913       10.72116  
1 1 1 1   58  26 o 75.089  3.5219  3103.69    286.433  3509.58    610.085  2988.92    324.411  77.495  7.3568  73.371  4.0986  4.123550       8.421447  
1 1 1 1   58  27 o ?       ?       -167.0234  40.016   25.481     463.469  -168.4693  40.167   22.154  9.7980  ?       ?       0.000000       9.798043  
1 1 1 1   58  28 o 33.694  7.6259  716.227    271.813  0.0000     0.0000   716.227    271.813  ?       ?       33.694  7.6259  0.000000       7.625943  
1 1 1 1   58  29 o 41.245  7.8262  1087.96    336.828  0.0000     0.0000   1087.96    336.828  ?       ?       41.245  7.8262  0.000000       7.826160  
1 1 1 1   58  30 o 21.643  8.6696  251.352    308.736  0.0000     0.0000   251.352    308.736  ?       ?       21.643  8.6696  0.000000       8.669645  
1 1 1 1   58  31 o 61.935  5.7910  2321.86    383.963  0.0000     0.0000   2321.86    383.963  ?       ?       61.935  5.7910  0.000000       5.791016  
1 1 1 1   59  0  o 207.204 5.5865  23293.88   1253.74  24351.67   1775.46  22241.79   1770.67  211.675 7.7441  202.265 8.0825  9.409882       11.19366  
1 1 1 1   59  1  o 84.212  3.8281  3843.91    349.164  4222.75    495.896  3471.43    491.716  88.078  5.2215  79.781  5.7286  8.297043       7.751198  
1 1 1 1   59  2  o 264.489 4.7681  37936.18   1365.92  38204.66   1931.90  37667.82   1931.49  265.243 6.7247  263.368 6.7711  1.875153       9.543000  
1 1 1 1   59  3  o 416.859 7.0517  94393.97   3183.87  97349.63   4504.11  91442.07   4501.24  422.727 9.8374  409.623 10.146  13.10410       14.13178  
1 1 1 1   59  4  o 246.623 4.4860  32980.20   1198.28  34395.58   1696.88  31572.31   1692.38  251.712 6.2241  241.136 6.4799  10.57623       8.984874  
1 1 1 1   59  5  o 219.589 4.1350  26141.87   983.451  26686.48   1392.10  25599.27   1389.53  221.747 5.7962  217.173 5.9073  4.573029       8.275997  
1 1 1 1   59  6  o 106.446 2.9043  6139.59    334.844  6275.98    475.260  6005.17    471.839  107.592 4.0783  105.243 4.1393  2.348679       5.810907  
1 1 1 1   59  7  o 195.391 3.8334  20696.40   811.248  20846.50   1149.13  20547.27   1145.43  195.998 5.4131  194.584 5.4349  1.413422       7.670732  
1 1 1 1   59  8  o 160.484 3.3982  13959.71   590.684  14146.34   837.601  13775.07   833.124  161.484 4.7889  159.349 4.8272  2.135315       6.799644  
1 1 1 1   59  9  o 279.969 4.9904  42533.96   1513.27  43907.25   2141.73  41164.89   2138.43  284.182 6.9582  275.130 7.1761  9.052002       9.995641  
1 1 1 1   59  10 o 155.692 3.3569  13139.99   566.080  13360.15   803.597  12923.13   797.554  156.916 4.7282  154.326 4.7715  2.590530       6.717376  
1 1 1 1   59  11 o 242.706 4.4560  31962.20   1171.39  32762.39   1660.75  31169.98   1652.46  245.498 6.2458  239.439 6.3719  6.058868       8.922461  
1 1 1 1   59  12 o 140.375 3.2254  10683.50   490.390  10907.29   703.145  10471.57   684.271  141.755 4.5797  138.897 4.5485  2.858093       6.454628  
1 1 1 1   59  13 o 83.841  3.0168  3811.23    273.948  3759.65    401.183  3856.29    374.986  83.094  4.4741  84.293  4.1073  -1.199440      6.073498  
1 1 1 1   59  14 o 94.338  3.0424  4826.62    310.864  4482.57    455.381  5126.86    425.404  90.707  4.6508  97.174  4.0419  -6.466324      6.161685  
1 1 1 1   59  15 o 196.909 3.8869  21059.51   828.976  20795.58   1180.57  21316.22   1164.30  195.367 5.5792  197.828 5.4338  -2.461243      7.788040  
1 1 1 1   59  16 o 109.353 3.4086  6494.22    403.718  6446.82    695.543  6518.31    495.781  108.485 5.9421  109.478 4.1811  -0.9935760     7.265688  
1 1 1 1   59  17 o 45.034  3.6449  1109.84    176.261  901.473    346.300  1182.69    204.770  39.677  8.3240  46.434  4.1141  -6.757832      9.285174  
1 1 1 1   59  18 o 27.596  5.3661  430.635    154.615  396.079    311.269  441.954    178.147  27.248  9.0397  27.856  6.0757  -0.6078815     10.89177  
1 1 1 1   59  19 o 100.725 3.0411  5515.40    331.773  5515.12    689.793  5515.48    378.419  99.872  6.4107  100.667 3.4707  -0.7955627     7.289913  
1 1 1 1   59  20 o 42.936  4.1634  1016.14    191.181  1345.55    431.078  935.489    213.306  48.331  8.5477  41.038  4.8956  7.292873       9.850402  
1 1 1 1   59  21 o 37.748  4.9033  794.833    195.740  695.425    421.909  822.098    220.958  34.503  10.416  38.265  5.4886  -3.761581      11.77370  
1 1 1 1   59  22 f 19.172  6.6906  185.209    170.831  107.566    397.565  202.791    189.187  23.110  9.6129  20.076  7.0390  3.034224       11.91452  
1 1 1 1   59  23 o 40.134  4.5713  897.833    195.167  1353.91    459.966  797.693    215.531  47.712  9.2346  37.569  5.4563  10.14283       10.72610  
1 1 1 1   59  24 o 32.233  1.0334  563.216    36.077   -393.6259  453.384  569.313    36.191   18.741  8.7980  32.407  1.0311  -13.66604      8.858184  
1 1 1 1   59  25 o 72.553  3.3716  2886.26    264.947  2744.29    592.570  2921.74    296.203  68.354  8.1656  72.793  3.7698  -4.438896      8.993789  
1 1 1 1   59  26 o 29.363  1.8386  470.988    58.180   259.599    482.786  474.103    58.607   25.948  10.675  29.459  1.8461  -3.511471      10.83297  
1 1 1 1   59  27 o 24.422  7.6896  365.438    226.999  -141.2167  488.002  505.335    256.431  20.812  9.5447  28.307  8.0060  -7.494404      12.45779  
1 1 1 1   59  28 o 55.394  6.1223  1820.09    361.184  0.0000     0.0000   1820.09    361.184  ?       ?       55.394  6.1223  0.000000       6.122306  
1 1 1 1   59  29 o 42.080  8.4693  1164.78    372.638  0.0000     0.0000   1164.78    372.638  ?       ?       42.080  8.4693  0.000000       8.469273  
1 1 1 1   59  30 o 17.021  7.7981  -85.1107   324.604  0.0000     0.0000   -85.1107   324.604  ?       ?       17.021  7.7981  0.000000       7.798097  
1 1 1 1   59  31 o 61.875  7.0162  2427.86    461.892  0.0000     0.0000   2427.86    461.892  ?       ?       61.875  7.0162  0.000000       7.016211  
1 1 1 1   60  0  o 286.312 7.2059  44535.22   2234.59  45713.78   3160.62  43357.30   3159.77  289.636 10.075  282.025 10.344  7.611267       14.43989  
1 1 1 1   60  1  o 233.431 6.1156  29577.31   1546.21  30079.26   2188.14  29076.71   2185.20  235.140 8.5917  231.172 8.7274  3.968521       12.24684  
1 1 1 1   60  2  o 134.246 4.3950  9771.61    639.050  9643.44    909.195  9896.76    898.408  133.279 6.2983  135.026 6.1431  -1.747284      8.798109  
1 1 1 1   60  3  o 161.281 3.8799  14100.01   677.749  14445.85   832.342  13419.53   1167.55  163.210 4.7085  157.182 6.8580  6.027771       8.318820  
1 1 1 1   60  4  o 162.633 3.4217  14334.66   602.727  14430.27   853.393  14239.49   851.378  163.114 4.8305  162.031 4.8513  1.082855       6.846013  
1 1 1 1   60  5  o 308.497 5.4241  51640.86   1812.37  51471.66   2562.85  51810.11   2563.31  307.687 7.6903  308.701 7.6664  -1.013733      10.85888  
1 1 1 1   60  6  o 74.189  2.8375  2982.40    228.006  2966.23    328.342  2997.45    316.863  73.850  4.1214  74.252  3.9542  -0.4014206     5.711530  
1 1 1 1   60  7  o 265.835 4.8069  38335.66   1384.03  37071.94   1958.29  39596.86   1956.33  261.178 6.9226  269.957 6.6908  -8.779053      9.627533  
1 1 1 1   60  8  o 322.085 5.6447  56321.65   1969.15  54616.57   2785.39  58025.29   2784.21  316.747 8.1190  326.532 7.8724  -9.785461      11.30897  
1 1 1 1   60  9  f 240.532 4.4391  31383.50   1156.48  31593.02   1636.36  31174.41   1634.66  241.137 6.2654  239.529 6.3008  1.607300       8.885681  
1 1 1 1   60  10 o 330.360 5.7279  59281.76   2049.52  58911.15   2900.44  59651.36   2896.48  328.821 8.1439  330.896 8.0818  -2.074585      11.47341  
1 1 1 1   60  11 o 278.830 4.9428  42209.94   1492.72  42204.75   2112.77  42215.10   2109.28  278.458 7.0052  278.495 6.9927  -0.3662109E-01 9.898044  
1 1 1 1   60  12 o 265.008 4.7880  38136.55   1374.30  37742.56   1947.31  38527.52   1939.83  263.265 6.8292  266.009 6.7328  -2.744171      9.590068  
1 1 1 1   60  13 o 199.112 3.9034  21516.41   841.808  21107.97   1194.91  21918.88   1186.13  196.989 5.6004  200.760 5.4549  -3.770935      7.817978  
1 1 1 1   60  14 o 242.124 4.4668  31858.09   1171.41  32065.97   1663.19  31653.46   1650.12  242.489 6.3326  240.927 6.3235  1.562408       8.949225  
1 1 1 1   60  15 o 87.615  2.7860  4163.99    264.382  4094.14    423.906  4208.46    338.223  86.643  4.5329  88.036  3.5471  -1.393837      5.755813  
1 1 1 1   60  16 o 155.975 3.8869  13227.46   656.641  12736.30   1135.11  13474.49   805.008  152.408 6.8764  157.275 4.7258  -4.867157      8.343715  
1 1 1 1   60  17 o 152.787 3.3335  12687.03   551.632  12201.31   1098.79  12850.70   637.837  148.994 6.8089  153.681 3.8319  -4.686920      7.813117  
1 1 1 1   60  18 o 88.812  2.7447  4283.70    264.018  5148.11    612.875  4086.73    292.556  96.699  5.8796  86.711  3.1151  9.988205       6.653792  
1 1 1 1   60  19 o 21.788  6.4778  265.473    164.099  203.665    394.732  278.387    180.430  24.828  9.8495  22.385  6.8237  2.442947       11.98231  
1 1 1 1   60  20 o 71.474  3.2035  2781.30    247.993  2457.39    532.060  2871.20    280.304  65.991  7.5817  72.574  3.5660  -6.583046      8.378411  
1 1 1 1   60  21 f 48.705  4.0552  1305.93    211.976  1552.94    452.760  1236.58    239.892  51.916  8.3338  47.239  4.7531  4.677032       9.593961  
1 1 1 1   60  22 o 32.006  1.7505  557.621    60.453   886.966    416.332  550.528    61.100   38.439  9.9297  31.798  1.7812  6.640715       10.08818  
1 1 1 1   60  23 o 51.950  4.0074  1489.55    223.742  810.438    468.755  1689.92    254.619  36.480  10.972  55.281  4.2860  -18.80116      11.77905  
1 1 1 1   60  24 o 48.692  4.1323  1314.22    215.876  1753.77    485.830  1206.08    240.972  54.507  8.5071  46.424  4.8647  8.083405       9.799775  
1 1 1 1   60  25 o 57.298  3.7187  1813.68    229.532  2391.00    539.722  1686.21    253.609  63.738  7.9939  55.060  4.2864  8.678486       9.070647  
1 1 1 1   60  26 o 24.618  7.8175  360.996    234.222  71.630     481.062  450.906    268.153  23.352  10.165  27.161  8.3261  -3.808910      13.13947  
1 1 1 1   60  27 o 30.063  7.4890  565.328    242.949  902.250    501.866  462.207    277.650  35.508  11.461  26.991  8.5051  8.516779       14.27206  
1 1 1 1   60  28 o 73.379  5.2354  3116.26    413.363  0.0000     0.0000   3116.26    413.363  ?       ?       73.379  5.2354  0.000000       5.235394  
1 1 1 1   60  29 o 35.559  8.7362  853.821    334.046  0.0000     0.0000   853.821    334.046  ?       ?       35.559  8.7362  0.000000       8.736230  
1 1 1 1   60  30 o 20.104  8.6512  134.133    340.533  0.0000     0.0000   134.133    340.533  ?       ?       20.104  8.6512  0.000000       8.651175  
1 1 1 1   61  0  o 457.138 7.6863  113593.20  3805.73  117299.90  5383.58  109890.60  5380.65  463.724 10.719  448.731 11.071  14.99228       15.40948  
1 1 1 1   61  1  o 450.833 10.777  110880.60  5262.20  115212.50  7442.99  106551.20  7440.77  457.989 15.005  440.184 15.607  17.80469       21.64964  
1 1 1 1   61  2  o 344.874 8.4083  64702.67   3140.81  69336.54   4443.39  60075.56   4440.15  356.308 11.514  331.445 12.368  24.86243       16.89812  
1 1 1 1   61  3  o 172.429 4.9810  16127.50   930.253  16507.05   1316.08  15748.53   1315.08  174.311 6.9708  170.247 7.1319  4.064590       9.972773  
1 1 1 1   61  4  o 68.612  4.1969  2562.00    310.393  2591.95    424.696  2527.67    454.770  68.867  5.7462  67.944  6.2498  0.9230728      8.489874  
1 1 1 1   61  5  o 130.499 3.1072  9228.81    439.178  9320.06    621.218  9137.64    620.966  131.099 4.3750  129.808 4.4167  1.290970       6.216701  
1 1 1 1   61  6  o 350.352 6.0612  66652.60   2300.01  65711.52   3253.67  67592.56   3251.75  347.387 8.6475  352.352 8.5206  -4.964996      12.14000  
1 1 1 1   61  7  o 186.204 3.7085  18796.77   747.914  18906.92   1061.84  18688.31   1053.63  186.648 5.2525  185.567 5.2423  1.081451       7.420897  
1 1 1 1   61  8  o 154.518 3.3515  12941.83   560.899  12671.95   797.994  13205.37   788.553  152.823 4.8210  156.016 4.6665  -3.192734      6.709610  
1 1 1 1   61  9  o 188.166 3.7517  19198.24   764.619  18335.51   1083.95  20052.68   1078.73  183.763 5.4460  192.199 5.1819  -8.436172      7.517437  
1 1 1 1   61  10 o 71.837  2.9935  2797.21    232.912  2802.99    352.695  2792.74    310.163  71.725  4.5638  71.642  4.0133  0.8249664E-01  6.077368  
1 1 1 1   61  11 o 177.031 3.6119  16996.84   692.555  17171.88   985.308  16825.93   973.639  177.810 5.1162  176.010 5.1073  1.799332       7.229081  
1 1 1 1   61  12 o 151.254 3.3418  12407.52   547.471  12970.44   783.002  11869.11   765.768  154.539 4.6779  147.823 4.7828  6.716110       6.690171  
1 1 1 1   61  13 o 296.615 5.2521  47851.62   1687.33  48085.10   2389.39  47619.36   2383.10  296.699 7.4353  295.253 7.4521  1.446075       10.52701  
1 1 1 1   61  14 o 189.121 3.9469  19427.20   808.479  20040.81   1090.85  18679.38   1204.26  191.866 5.2493  185.085 6.0073  6.781509       7.977628  
1 1 1 1   61  15 o 25.673  6.1601  374.434    169.102  193.611    250.325  526.214    229.342  21.484  8.0156  30.394  7.0956  -8.910122      10.70501  
1 1 1 1   61  16 o 91.393  3.3351  4537.92    330.136  4399.27    567.745  4608.75    405.794  89.496  5.8899  92.032  4.0710  -2.535400      7.159900  
1 1 1 1   61  17 o 117.522 3.0188  7502.88    384.258  7162.04    761.130  7619.47    445.153  114.098 6.1821  118.373 3.4721  -4.274712      7.090369  
1 1 1 1   61  18 o 112.579 3.0810  6889.27    375.688  6645.23    779.465  6963.12    428.779  109.654 6.5936  113.120 3.4996  -3.466347      7.464816  
1 1 1 1   61  19 o 112.813 2.9972  6920.86    366.225  6433.10    775.230  7060.99    415.514  107.691 6.6793  113.888 3.3685  -6.196358      7.480598  
1 1 1 1   61  20 o 89.595  2.7227  4364.45    264.209  4109.25    618.078  4421.51    292.257  85.842  6.7009  90.142  2.9934  -4.300316      7.339077  
1 1 1 1   61  21 o 79.475  2.6926  3436.19    231.775  3670.05    575.263  3390.87    253.239  80.968  6.6175  78.912  2.9629  2.056084       7.250575  
1 1 1 1   61  22 o 16.022  6.5370  59.636     179.203  263.650    396.964  7.4174     200.831  25.508  9.9506  15.709  6.6985  9.799204       11.99520  
1 1 1 1   61  23 o 65.727  3.5268  2371.48    250.156  2135.52    519.106  2442.85    285.492  60.640  8.1066  66.591  3.9765  -5.950695      9.029316  
1 1 1 1   61  24 o 61.783  3.4795  2098.35    231.889  2129.55    508.427  2090.15    260.570  60.419  7.9634  61.537  3.9300  -1.117786      8.880387  
1 1 1 1   61  25 o 54.594  4.0956  1655.97    240.411  1640.10    515.724  1660.38    271.743  51.614  9.5779  54.470  4.6507  -2.855328      10.64728  
1 1 1 1   61  26 o 42.463  5.4667  1039.60    245.580  899.969    514.747  1080.75    279.432  36.255  11.597  42.957  6.1840  -6.702766      13.14299  
1 1 1 1   61  27 o 21.489  7.6919  260.731    226.945  9.0806     489.023  329.805    256.205  22.161  9.9159  23.525  8.1946  -1.364420      12.86378  
1 1 1 1   61  28 o 20.737  8.5206  175.260    307.143  0.0000     0.0000   175.260    307.143  ?       ?       20.737  8.5206  0.000000       8.520607  
1 1 1 1   61  29 o 24.167  9.3161  357.505    344.764  0.0000     0.0000   357.505    344.764  ?       ?       24.167  9.3161  0.000000       9.316104  
1 1 1 1   61  30 o 28.090  10.141  581.032    395.398  0.0000     0.0000   581.032    395.398  ?       ?       28.090  10.141  0.000000       10.14148  
1 1 1 1   62  0  o 133.110 3.0870  9601.37    445.062  9572.81    626.169  9630.52    632.709  132.870 4.3510  133.269 4.3833  -0.3986816     6.176173  
1 1 1 1   62  1  o 187.330 3.7203  19021.80   754.848  18764.78   1068.63  19277.76   1066.41  185.972 5.3053  188.502 5.2232  -2.530212      7.445007  
1 1 1 1   62  2  o 104.088 4.0365  5873.70    455.062  5390.82    632.334  6392.45    655.396  99.482  5.8948  108.388 5.6020  -8.905434      8.132090  
1 1 1 1   62  3  o 403.111 9.7346  88572.74   4250.25  89994.88   6011.51  87151.34   6010.00  405.055 13.702  398.522 13.924  6.532867       19.53524  
1 1 1 1   62  4  f 150.119 4.6386  12222.90   754.208  11758.05   1060.08  12699.39   1073.27  147.119 6.6527  152.907 6.4805  -5.787903      9.287395  
1 1 1 1   62  5  o 329.059 8.1214  58923.50   2894.52  60761.65   4093.70  57085.77   4093.23  333.391 11.337  323.051 11.698  10.33975       16.29036  
1 1 1 1   62  6  o 161.022 3.4189  14054.13   596.260  13835.60   848.286  14267.54   838.280  159.688 4.9045  162.170 4.7725  -2.481552      6.843359  
1 1 1 1   62  7  o 522.727 8.7305  148888.20  4942.95  150089.80  6992.01  147687.59  6988.77  523.237 12.338  518.984 12.433  4.253052       17.51567  
1 1 1 1   62  8  o 176.135 3.5991  16819.54   686.612  16880.54   971.219  16758.59   970.815  176.356 5.0846  175.717 5.1010  0.6394196      7.202297  
1 1 1 1   62  9  o 147.708 3.2813  11827.50   524.950  11660.34   746.781  11990.80   738.079  146.581 4.7038  148.651 4.5842  -2.070450      6.568144  
1 1 1 1   62  10 o 44.144  4.0153  1065.80    189.881  1107.17    276.359  1028.80    261.334  44.760  5.8396  43.135  5.7358  1.624710       8.185396  
1 1 1 1   62  11 f 70.052  3.1063  2660.66    235.686  2742.97    348.119  2591.00    320.243  70.934  4.5552  68.958  4.3093  1.976563       6.270557  
1 1 1 1   62  12 o 143.536 3.2562  11174.19   506.227  11163.22   721.065  11184.86   710.869  143.353 4.6441  143.498 4.5737  -0.1454620     6.518163  
1 1 1 1   62  13 o 162.981 3.5516  14416.68   626.946  14940.07   854.034  13804.98   923.280  165.770 4.7566  159.266 5.3523  6.504456       7.160499  
1 1 1 1   62  14 o 190.477 3.7974  19707.34   783.417  19518.76   1114.06  19891.81   1101.88  189.266 5.4346  191.090 5.3238  -1.823730      7.607771  
1 1 1 1   62  15 o 269.459 4.7958  39552.27   1399.67  39071.44   1984.71  40028.02   1974.21  266.999 6.8630  270.303 6.7433  -3.304382      9.621501  
1 1 1 1   62  16 o 79.154  2.8908  3401.74    247.837  3197.67    491.265  3471.41    287.042  76.191  6.0017  79.928  3.3157  -3.736938      6.856695  
1 1 1 1   62  17 o 19.338  5.9846  204.520    138.165  312.733    273.685  167.509    160.057  24.707  8.4772  18.503  6.4752  6.204065       10.66730  
1 1 1 1   62  18 o 27.562  5.9063  432.858    171.015  288.960    418.486  461.706    187.374  26.778  10.279  28.431  6.2547  -1.652994      12.03249  
1 1 1 1   62  19 o 62.025  3.5455  2102.97    237.197  2183.49    494.983  2078.97    270.247  62.237  7.4935  61.577  4.0750  0.6600761      8.529890  
1 1 1 1   62  20 o 15.200  6.3559  27.274     175.101  456.027    474.624  -40.2759   188.390  30.330  11.086  14.392  6.3101  15.93880       12.75638  
1 1 1 1   62  21 o 69.517  3.2641  2635.48    245.770  2679.59    528.734  2623.33    277.579  68.843  7.1974  69.188  3.7177  -0.3450012     8.100827  
1 1 1 1   62  22 o 132.010 3.2412  9514.16    463.435  9469.21    944.438  9528.42    531.871  129.812 6.7404  131.939 3.7219  -2.126968      7.699677  
1 1 1 1   62  23 o 90.966  3.1405  4521.46    309.421  4379.88    644.888  4563.81    352.667  87.855  6.8308  91.274  3.5674  -3.418243      7.706268  
1 1 1 1   62  24 o 71.766  3.3766  2822.05    262.460  3028.27    553.331  2762.18    298.131  72.603  7.1285  70.759  3.9052  1.843605       8.128086  
1 1 1 1   62  25 o 84.229  3.2096  3894.34    292.808  3588.30    621.118  3981.79    332.016  78.334  7.4087  85.019  3.6055  -6.685410      8.239449  
1 1 1 1   62  26 o 54.154  2.3722  1604.52    139.140  1776.85    523.131  1591.40    144.339  52.624  9.5291  53.909  2.4720  -1.285351      9.844486  
1 1 1 1   62  27 o 40.144  6.5826  971.479    276.288  0.0000     0.0000   971.479    276.288  ?       ?       40.144  6.5826  0.000000       6.582590  
1 1 1 1   62  28 o 55.180  6.1732  1819.75    362.618  0.0000     0.0000   1819.75    362.618  ?       ?       55.180  6.1732  0.000000       6.173151  
1 1 1 1   62  29 o 17.164  7.7176  -32.7541   300.135  0.0000     0.0000   -32.7541   300.135  ?       ?       17.164  7.7176  0.000000       7.717613  
1 1 1 1   62  30 o 33.090  10.132  821.476    397.205  0.0000     0.0000   821.476    397.205  ?       ?       33.090  10.132  0.000000       10.13171  
1 1 1 1   63  0  o 212.803 4.0452  24552.17   932.365  25138.09   1320.32  23969.35   1316.81  215.211 5.6643  210.138 5.7856  5.072510       8.096757  
1 1 1 1   63  1  o 117.618 2.9496  7496.41    375.752  7390.75    533.604  7600.34    529.210  116.749 4.2198  118.396 4.1269  -1.646988      5.902357  
1 1 1 1   63  2  o 152.213 3.2884  12556.64   542.134  12593.58   768.226  12520.00   765.170  152.378 4.6548  151.932 4.6498  0.4455261      6.579338  
1 1 1 1   63  3  o 99.125  3.2777  5325.25    351.900  4882.86    608.771  5547.25    431.250  94.647  5.9691  101.152 3.9362  -6.505646      7.150124  
1 1 1 1   63  4  o 120.683 4.2690  7898.08    558.012  7709.96    781.084  8094.18    797.466  118.999 6.0805  122.089 6.0307  -3.089767      8.563937  
1 1 1 1   63  5  o 67.023  4.1136  2445.05    297.178  2579.50    418.215  2307.93    422.362  68.697  5.6714  64.907  6.0787  3.790916       8.313590  
1 1 1 1   63  6  o 45.167  5.6419  1124.75    269.985  1399.40    389.241  870.104    374.802  50.196  7.3798  39.181  9.0187  11.01423       11.65329  
1 1 1 1   63  7  o 361.648 6.2410  71063.78   2444.63  69698.97   3459.08  72425.67   3455.37  357.540 8.9323  364.516 8.7520  -6.975677      12.50537  
1 1 1 1   63  8  o 358.689 6.4876  69948.78   2520.41  70953.73   3311.68  68565.42   3885.47  360.757 8.4755  354.128 10.130  6.629181       13.20804  
1 1 1 1   63  9  o 147.633 3.2975  11816.47   527.281  11849.18   751.796  11784.80   739.725  147.752 4.6978  147.355 4.6349  0.3975220      6.599338  
1 1 1 1   63  10 o 71.249  3.0555  2752.12    235.795  2822.79    349.549  2693.11    319.413  71.972  4.5068  70.322  4.2131  1.650749       6.169366  
1 1 1 1   63  11 o 77.515  2.6555  3257.05    222.947  3397.58    370.542  3177.32    279.123  78.989  4.3479  76.539  3.3670  2.449738       5.499173  
1 1 1 1   63  12 o 76.202  2.6008  3148.00    214.652  3467.46    356.078  2965.64    269.030  79.803  4.1338  73.935  3.3595  5.867989       5.326794  
1 1 1 1   63  13 o 242.710 4.4781  32023.20   1177.20  31722.91   1668.60  32320.79   1661.06  241.095 6.3899  243.383 6.3013  -2.287109      8.974200  
1 1 1 1   63  14 o 76.808  3.0487  3201.68    253.626  3012.06    359.059  3390.50    358.306  74.273  4.4844  78.853  4.2106  -4.579987      6.151365  
1 1 1 1   63  15 o 111.853 3.0649  6793.20    371.308  6943.01    541.154  6659.92    510.411  112.920 4.4247  110.616 4.2602  2.304031       6.142264  
1 1 1 1   63  16 o 37.037  4.4090  757.976    173.393  612.381    268.199  862.533    227.279  32.672  7.7043  39.348  5.4818  -6.676315      9.455478  
1 1 1 1   63  17 o 138.930 3.3120  10495.93   498.380  10915.57   1002.24  10358.08   574.436  140.835 6.5704  137.917 3.8455  2.918320       7.613027  
1 1 1 1   63  18 o 141.938 3.3243  10963.00   511.055  10790.20   1035.79  11018.60   587.551  139.733 6.8439  142.189 3.8151  -2.456818      7.835450  
1 1 1 1   63  19 o 17.078  6.4301  120.164    161.809  -79.3982   399.176  159.402    177.003  20.799  9.1507  18.626  6.7760  2.172810       11.38643  
1 1 1 1   63  20 o 65.330  3.3099  2331.92    233.438  2578.91    511.165  2266.84    262.398  67.694  7.0764  64.322  3.7831  3.371582       8.024140  
1 1 1 1   63  21 o 57.728  3.7945  1830.19    235.927  1914.75    488.199  1804.43    269.484  57.720  8.0263  57.185  4.3843  0.5354767      9.145655  
1 1 1 1   63  22 o 63.154  2.5967  2171.61    177.617  2209.62    591.754  2167.85    186.203  61.294  9.1974  63.082  2.7253  -1.787407      9.592629  
1 1 1 1   63  23 o 27.995  6.5922  458.232    196.583  150.116    428.608  540.316    221.223  24.119  10.003  30.363  6.8855  -6.243299      12.14341  
1 1 1 1   63  24 o 40.107  4.8161  904.994    205.029  812.911    454.881  928.471    229.684  36.014  10.803  40.450  5.3756  -4.436790      12.06635  
1 1 1 1   63  25 o 45.487  4.2018  1158.12    204.669  1360.95    474.390  1111.73    226.870  46.404  9.7487  44.341  4.8005  2.062328       10.86654  
1 1 1 1   63  26 o 31.041  6.6910  584.816    218.328  290.202    453.714  673.593    249.060  25.242  10.362  33.142  7.1483  -7.900255      12.58843  
1 1 1 1   63  27 o 68.039  5.1343  2664.69    375.578  0.0000     0.0000   2664.69    375.578  ?       ?       68.039  5.1343  0.000000       5.134334  
1 1 1 1   63  28 o 29.560  8.6503  583.649    294.591  0.0000     0.0000   583.649    294.591  ?       ?       29.560  8.6503  0.000000       8.650350  
1 1 1 1   63  29 o 18.231  8.0932  17.130     319.089  0.0000     0.0000   17.130     319.089  ?       ?       18.231  8.0932  0.000000       8.093188  
1 1 1 1   63  30 o 24.975  9.6237  413.835    367.783  0.0000     0.0000   413.835    367.783  ?       ?       24.975  9.6237  0.000000       9.623679  
1 1 1 1   64  0  o 340.130 5.8998  62811.51   2173.46  63371.30   3074.72  62252.44   3072.76  341.213 8.3197  338.173 8.3892  3.039886       11.81509  
1 1 1 1   64  1  o 236.064 4.3746  30221.33   1118.49  29870.40   1582.11  30571.97   1581.47  234.520 6.2285  237.266 6.1540  -2.746185      8.755926  
1 1 1 1   64  2  o 381.119 6.5108  78911.56   2687.62  80878.99   3802.43  76947.37   3799.31  385.255 9.1126  375.717 9.3363  9.538361       13.04630  
1 1 1 1   64  3  o 384.165 6.5592  80186.41   2729.21  82263.48   3861.36  78112.92   3858.02  388.501 9.1765  378.511 9.4106  9.990143       13.14410  
1 1 1 1   64  4  o 176.026 3.5573  16796.66   678.219  17828.90   961.261  15773.45   957.047  181.274 4.8959  170.486 5.1829  10.78847       7.129712  
1 1 1 1   64  5  o 312.581 7.7756  53170.93   2632.47  53307.06   3722.71  53034.77   3723.05  312.222 11.008  311.415 11.038  0.8064880      15.58915  
1 1 1 1   64  6  o 222.546 5.9514  26902.14   1434.53  27263.17   2030.15  26542.12   2027.30  223.704 8.3789  220.709 8.4806  2.994095       11.92168  
1 1 1 1   64  7  o 188.288 5.2868  19248.94   1078.17  19821.43   1524.58  18676.19   1524.94  190.835 7.3760  185.211 7.6018  5.623810       10.59212  
1 1 1 1   64  8  o 136.478 3.7168  10101.00   549.412  9840.54    678.910  10595.26   935.238  134.654 4.6550  139.607 6.1851  -4.952682      7.741096  
1 1 1 1   64  9  o 290.042 5.1539  45692.49   1619.09  46446.78   2292.33  44941.59   2287.15  292.005 7.2480  287.211 7.3523  4.794647       10.32421  
1 1 1 1   64  10 o 280.459 5.0269  42733.63   1527.00  42758.75   2162.33  42708.65   2156.69  280.089 7.1278  279.929 7.1133  0.1604919      10.06998  
1 1 1 1   64  11 o 268.906 4.8279  39295.12   1406.15  40144.43   1990.23  38448.59   1986.97  271.346 6.7719  265.516 6.9093  5.829803       9.674519  
1 1 1 1   64  12 o 165.718 3.4619  14903.65   621.380  15150.03   886.081  14665.25   871.624  166.906 4.9015  164.214 4.9006  2.691940       6.931166  
1 1 1 1   64  13 o 26.720  5.7487  404.149    161.438  469.203    245.550  354.622    214.252  28.766  7.7201  25.219  7.3763  3.546972       10.67753  
1 1 1 1   64  14 o 146.101 3.2921  11591.21   520.946  11334.17   745.021  11837.11   728.708  144.256 4.7683  147.458 4.5626  -3.201294      6.599573  
1 1 1 1   64  15 o 58.136  2.3512  1833.35    148.048  1749.42    314.884  1857.17    167.746  56.372  5.2164  58.499  2.6475  -2.127396      5.849776  
1 1 1 1   64  16 f 62.353  3.2578  2118.99    219.255  2271.11    333.024  2002.61    291.294  64.324  4.8150  60.437  4.4819  3.887165       6.578136  
1 1 1 1   64  17 o 33.405  4.7714  621.711    167.730  448.402    513.203  642.438    177.476  31.044  11.498  33.928  4.9777  -2.884260      12.52892  
1 1 1 1   64  18 o 57.894  2.2980  1819.60    144.097  1156.91    485.440  1883.63    150.898  44.310  10.309  58.900  2.3654  -14.58921      10.57679  
1 1 1 1   64  19 o 49.318  2.2165  1320.60    118.396  795.958    464.174  1357.11    122.447  36.807  10.883  49.992  2.2614  -13.18510      11.11574  
1 1 1 1   64  20 o 72.401  2.4361  2849.11    191.035  2754.54    534.686  2862.95    204.535  69.894  7.1642  72.558  2.6026  -2.663460      7.622283  
1 1 1 1   64  21 o 49.332  2.1949  1322.57    117.276  1657.29    464.149  1299.74    121.209  53.473  8.2818  48.897  2.2886  4.575977       8.592187  
1 1 1 1   64  22 o 147.977 3.4031  11973.98   545.421  12112.91   1102.88  11929.00   627.532  146.610 6.9454  147.462 3.9290  -0.8516388     7.979687  
1 1 1 1   64  23 o 115.945 3.1744  7349.79    398.644  7011.69    820.545  7454.25    456.086  111.158 6.8487  116.604 3.6113  -5.445526      7.742516  
1 1 1 1   64  24 o 57.625  3.7052  1834.19    230.033  1210.71    505.092  1997.34    258.385  43.662  10.752  60.050  3.9955  -16.38784      11.47031  
1 1 1 1   64  25 o 27.983  6.9318  472.612    209.004  895.298    445.089  353.042    236.727  36.853  10.589  24.401  7.8709  12.45214       13.19420  
1 1 1 1   64  26 o 17.531  7.2042  94.266     219.613  -97.1701   436.641  159.092    254.091  20.162  9.1630  19.682  7.8718  0.4806290      12.07992  
1 1 1 1   64  27 o 33.817  8.6746  749.805    319.273  0.0000     0.0000   749.805    319.273  ?       ?       33.817  8.6746  0.000000       8.674619  
1 1 1 1   64  28 o 27.691  9.2501  518.178    325.749  0.0000     0.0000   518.178    325.749  ?       ?       27.691  9.2501  0.000000       9.250076  
1 1 1 1   64  29 o 17.981  7.8646  47.286     291.074  0.0000     0.0000   47.286     291.074  ?       ?       17.981  7.8646  0.000000       7.864564  
1 1 1 1   65  0  o 271.502 4.8481  39991.69   1425.64  40414.90   2017.84  39569.88   2014.49  272.693 6.8319  269.819 6.8932  2.874573       9.705242  
1 1 1 1   65  1  o 152.747 3.3044  12645.96   546.679  12626.79   774.907  12664.95   771.347  152.566 4.6894  152.798 4.6608  -0.2319183     6.611651  
1 1 1 1   65  2  o 151.117 3.3254  12377.68   544.278  12435.43   769.196  12319.76   770.257  151.405 4.6906  150.697 4.7191  0.7073517      6.653696  
1 1 1 1   65  3  o 87.447  2.8665  4143.91    271.499  4031.47    383.353  4257.06    384.565  86.223  4.1049  88.605  4.0072  -2.382355      5.736565  
1 1 1 1   65  4  o 97.994  2.9286  5204.13    310.839  5110.43    442.301  5295.58    436.933  97.072  4.2068  98.819  4.0823  -1.747002      5.861951  
1 1 1 1   65  5  o 30.413  4.7357  513.781    150.920  396.817    219.173  619.246    208.122  26.610  7.3579  33.258  5.9983  -6.648237      9.493047  
1 1 1 1   65  6  o 117.025 4.2455  7428.84    538.119  7894.31    777.178  7000.18    745.822  120.538 5.9529  113.336 6.0982  7.202827       8.521977  
1 1 1 1   65  7  o 179.476 5.1498  17490.13   1001.09  17424.85   1420.95  17554.47   1410.60  178.900 7.3333  179.574 7.2525  -0.6746216     10.31389  
1 1 1 1   65  8  o 136.116 4.4368  10055.17   654.106  10385.50   924.392  9723.90    925.701  138.195 6.1758  133.701 6.3924  4.494034       8.888397  
1 1 1 1   65  9  o 227.490 6.0376  28151.46   1487.63  28803.31   2103.16  27498.78   2104.49  229.619 8.4566  224.311 8.6622  5.307983       12.10565  
1 1 1 1   65  10 o 43.969  3.9976  1057.92    188.298  1138.24    296.465  1003.61    243.785  45.309  6.2041  42.626  5.4015  2.682869       8.226027  
1 1 1 1   65  11 o 169.833 3.5615  15652.93   655.133  15443.67   933.671  15855.88   919.489  168.507 5.1157  170.762 4.9715  -2.254456      7.133437  
1 1 1 1   65  12 o 74.667  3.1340  3024.99    253.454  2790.74    366.568  3239.55    350.825  71.473  4.7625  77.097  4.2173  -5.623840      6.361345  
1 1 1 1   65  13 o 110.553 3.0035  6632.70    359.644  6600.62    508.155  6664.89    509.072  110.170 4.2586  110.706 4.2456  -0.5364838     6.013356  
1 1 1 1   65  14 o 44.253  3.8161  1072.61    181.122  1216.13    274.011  961.242    241.374  46.880  5.5010  41.607  5.4903  5.273232       7.772022  
1 1 1 1   65  15 o 30.053  5.4415  508.615    170.602  514.545    253.017  503.670    231.016  29.980  7.7391  29.668  7.2506  0.3119469      10.60497  
1 1 1 1   65  16 o 133.981 3.1737  9756.90    460.552  10030.35   662.644  9501.37    640.555  135.593 4.5120  131.976 4.4812  3.617264       6.359187  
1 1 1 1   65  17 o 55.370  4.2759  1682.76    254.445  1425.61    481.855  1782.18    299.625  49.690  9.2949  56.875  4.9122  -7.185196      10.51309  
1 1 1 1   65  18 o 18.005  6.5722  146.987    166.718  460.070    499.604  107.754    176.856  30.868  11.360  17.219  6.6627  13.64861       13.17012  
1 1 1 1   65  19 o 70.480  3.3099  2706.35    252.669  2224.52    613.661  2804.71    277.261  61.990  9.4377  71.714  3.5695  -9.723942      10.09015  
1 1 1 1   65  20 o 59.123  3.5510  1915.09    226.342  1696.13    506.438  1969.75    253.018  53.969  8.9794  59.889  3.9223  -5.919643      9.798660  
1 1 1 1   65  21 o 60.842  3.5003  2029.65    229.692  2124.07    509.599  2005.58    257.312  60.770  7.9314  60.377  3.9567  0.3938217      8.863534  
1 1 1 1   65  22 o 63.028  3.4885  2180.70    237.220  2477.92    520.107  2102.63    266.560  65.711  7.4387  61.753  4.0070  3.958374       8.449316  
1 1 1 1   65  23 o 55.369  3.7402  1690.61    222.989  1773.05    496.568  1669.78    249.568  54.696  8.6714  54.889  4.2306  -0.1925278     9.648331  
1 1 1 1   65  24 o 15.278  6.3553  42.746     173.778  340.145    422.539  -17.7979   190.648  26.551  10.291  14.680  6.3943  11.87131       12.11614  
1 1 1 1   65  25 o 14.417  6.3819  -38.4715   197.065  672.831    425.467  -232.7441  222.354  32.067  10.565  12.735  6.0339  19.33219       12.16696  
1 1 1 1   65  26 o 4.2577  2.1606  -189.9277  51.636   731.356    449.999  -202.2201  51.980   32.604  10.872  ?       ?       0.000000       10.87163  
1 1 1 1   65  27 o 30.963  9.0671  639.817    323.565  0.0000     0.0000   639.817    323.565  ?       ?       30.963  9.0671  0.000000       9.067149  
1 1 1 1   65  28 o 16.818  7.5480  -38.1689   285.611  0.0000     0.0000   -38.1689   285.611  ?       ?       16.818  7.5480  0.000000       7.548030  
1 1 1 1   65  29 o 18.228  8.0597  28.605     313.416  0.0000     0.0000   28.605     313.416  ?       ?       18.228  8.0597  0.000000       8.059650  
1 1 1 1   66  0  o 329.460 5.7376  58938.14   2047.39  59728.66   2896.57  58148.84   2894.32  331.233 8.0738  326.801 8.1770  4.431854       11.49129  
1 1 1 1   66  1  o 357.613 6.1690  69470.98   2389.46  68887.52   3379.58  70054.20   3378.83  355.549 8.7759  358.566 8.7001  -3.017273      12.35757  
1 1 1 1   66  2  o 446.542 7.5438  108492.60  3648.56  108086.90  5160.84  108898.00  5158.85  444.648 10.716  446.331 10.672  -1.682556      15.12330  
1 1 1 1   66  3  o 196.883 3.8407  21018.54   819.000  21429.76   1159.05  20608.47   1157.44  198.678 5.3862  194.825 5.4851  3.853256       7.687444  
1 1 1 1   66  4  o 201.517 3.9024  22021.81   851.744  22416.75   1209.77  21633.62   1199.39  203.180 5.4973  199.595 5.5481  3.585541       7.810349  
1 1 1 1   66  5  o 199.366 3.8631  21555.12   834.172  22129.02   1182.33  20986.30   1177.08  201.868 5.4075  196.575 5.5285  5.293335       7.733446  
1 1 1 1   66  6  o 181.460 3.6701  17856.00   721.323  17680.48   1025.18  18028.08   1015.10  180.440 5.2456  182.215 5.1435  -1.774704      7.346557  
1 1 1 1   66  7  o 92.038  4.1141  4595.89    410.119  4487.71    594.372  4694.19    566.615  90.648  6.0892  92.770  5.6663  -2.121948      8.317755  
1 1 1 1   66  8  o 104.037 4.1354  5873.59    465.990  6219.98    670.065  5549.16    648.484  106.797 5.8147  100.837 5.9641  5.960220       8.329523  
1 1 1 1   66  9  o 145.157 4.6286  11443.86   727.710  10894.98   1036.08  11978.26   1022.33  141.401 6.7651  148.317 6.3640  -6.915604      9.287967  
1 1 1 1   66  10 o 298.154 7.4725  48563.77   2413.10  50257.21   3418.36  46881.59   3406.96  302.057 10.449  291.575 10.788  10.48264       15.01857  
1 1 1 1   66  11 o 62.152  3.3333  2102.13    223.565  1951.51    336.889  2220.65    298.855  59.650  5.2686  63.779  4.3523  -4.128571      6.833735  
1 1 1 1   66  12 o 66.693  3.2283  2414.16    233.196  2465.46    351.699  2373.92    311.522  67.128  4.8703  65.928  4.3877  1.200188       6.555296  
1 1 1 1   66  13 o 161.042 3.4537  14087.37   602.411  14321.06   860.248  13862.49   843.863  162.126 4.8989  159.512 4.8844  2.613983       6.917834  
1 1 1 1   66  14 o 170.294 3.6421  15766.71   671.776  15984.56   911.177  15507.28   994.328  171.192 4.9142  168.480 5.4489  2.712326       7.337574  
1 1 1 1   66  15 o 74.800  3.0490  3039.54    247.019  2913.37    368.724  3142.27    332.718  72.926  4.6931  75.854  4.0646  -2.927246      6.208523  
1 1 1 1   66  16 o 49.513  3.7840  1342.57    201.390  1341.82    324.964  1343.03    256.609  49.032  6.2621  49.344  4.8647  -0.3120613     7.929624  
1 1 1 1   66  17 o 17.567  7.0148  88.944     201.432  183.354    406.742  58.265     231.861  24.750  9.9380  17.909  7.3861  6.840748       12.38215  
1 1 1 1   66  18 f 118.759 3.1383  7675.66    403.668  7491.89    832.764  7732.11    461.513  116.158 6.6467  119.107 3.5775  -2.948341      7.548337  
1 1 1 1   66  19 o 49.168  4.0019  1329.90    211.270  1453.32    475.110  1299.48    235.874  49.931  9.1214  48.490  4.5442  1.441296       10.19063  
1 1 1 1   66  20 o 98.065  3.1944  5244.09    339.292  5640.80    697.113  5120.94    388.400  100.464 6.4405  96.792  3.7048  3.671883       7.430041  
1 1 1 1   66  21 o 68.989  3.3308  2599.87    248.889  2599.79    545.376  2599.89    279.715  67.413  7.6021  68.807  3.7676  -1.394600      8.484493  
1 1 1 1   66  22 o 39.518  4.6900  873.697    196.823  647.858    455.440  925.562    218.256  33.076  10.933  40.581  5.0766  -7.505310      12.05395  
1 1 1 1   66  23 o 47.513  2.1575  1228.56    111.027  620.121    470.519  1264.43    114.254  32.322  11.114  48.198  2.1886  -15.87585      11.32721  
1 1 1 1   66  24 o 65.440  3.5287  2365.47    249.184  1795.63    540.396  2519.35    280.821  53.702  9.6453  67.412  3.8622  -13.71073      10.38984  
1 1 1 1   66  25 o 53.591  4.3460  1618.79    250.090  1510.64    508.166  1653.35    287.290  47.924  10.108  53.838  4.9832  -5.914646      11.26973  
1 1 1 1   66  26 o 32.184  7.8582  654.110    271.544  0.0000     0.0000   654.110    271.544  ?       ?       32.184  7.8582  0.000000       7.858207  
1 1 1 1   66  27 o 44.119  8.0457  1238.55    370.301  0.0000     0.0000   1238.55    370.301  ?       ?       44.119  8.0457  0.000000       8.045712  
1 1 1 1   66  28 o 48.522  7.0477  1465.73    359.559  0.0000     0.0000   1465.73    359.559  ?       ?       48.522  7.0477  0.000000       7.047701  
1 1 1 1   66  29 o 35.599  8.4678  856.213    321.743  0.0000     0.0000   856.213    321.743  ?       ?       35.599  8.4678  0.000000       8.467793  
1 1 1 1   67  0  o 126.942 3.0607  8733.87    420.814  8815.37    594.558  8652.07    595.685  127.481 4.3060  126.293 4.3548  1.188599       6.124226  
1 1 1 1   67  1  o 103.227 2.8561  5774.87    319.331  5943.98    454.895  5610.57    448.381  104.691 4.0117  101.711 4.0702  2.980644       5.714902  
1 1 1 1   67  2  o 89.917  2.8268  4381.61    275.303  4619.14    388.725  4142.58    389.953  92.292  3.8887  87.394  4.1196  4.897728       5.665115  
1 1 1 1   67  3  o 229.067 4.2773  28464.22   1061.22  28414.11   1500.40  28514.38   1501.18  228.672 6.0579  229.076 6.0504  -0.4040527     8.561874  
1 1 1 1   67  4  o 147.665 3.2717  11820.61   523.266  11968.03   747.397  11678.87   732.838  148.505 4.6466  146.703 4.6121  1.802704       6.546967  
1 1 1 1   67  5  o 307.111 5.4257  51230.18   1804.78  49887.73   2552.92  52571.42   2551.77  302.583 7.7897  310.665 7.5837  -8.081635      10.87160  
1 1 1 1   67  6  o 278.408 5.0014  42090.55   1508.14  41994.73   2134.63  42186.07   2131.04  277.708 7.0968  278.346 7.0687  -0.6379700     10.01652  
1 1 1 1   67  7  o 21.420  5.9349  256.902    142.438  280.355    228.711  242.042    182.054  23.308  7.7495  21.399  6.9024  1.909939       10.37780  
1 1 1 1   67  8  o 51.819  3.3484  1462.42    186.925  1695.48    292.705  1301.90    242.909  55.651  4.9063  48.740  4.6581  6.910412       6.765349  
1 1 1 1   67  9  o 205.605 5.6058  23002.36   1248.37  24010.22   1769.83  22004.40   1761.13  209.597 7.7961  200.577 8.1066  9.020218       11.24706  
1 1 1 1   67  10 o 112.798 4.2557  6912.10    519.925  7549.82    764.454  6363.22    709.219  117.550 6.0245  107.881 6.0946  9.669960       8.569644  
1 1 1 1   67  11 o 83.266  4.2589  3778.15    382.803  4025.38    584.340  3592.28    506.663  85.639  6.3449  80.965  5.8164  4.674110       8.607424  
1 1 1 1   67  12 o 24.289  7.6775  319.465    226.110  264.598    344.941  360.802    299.406  25.104  9.4008  26.377  8.8679  -1.272882      12.92337  
1 1 1 1   67  13 o 134.180 3.1780  9777.52    461.861  10054.77   658.955  9509.80    647.536  135.883 4.4773  132.142 4.5243  3.741409       6.365228  
1 1 1 1   67  14 o 48.204  3.7994  1271.85    196.758  1019.03    306.471  1449.12    256.630  42.543  6.8863  51.345  4.6656  -8.801834      8.318004  
1 1 1 1   67  15 o 54.560  3.5394  1625.95    208.025  1701.21    328.632  1575.63    268.714  55.480  5.5432  53.532  4.6816  1.947212       7.255642  
1 1 1 1   67  16 o 75.674  3.1908  3114.02    261.531  3235.42    408.458  3029.67    340.475  76.761  4.9391  74.407  4.2423  2.354630       6.510911  
1 1 1 1   67  17 o 73.936  2.8418  2971.64    227.573  3027.99    554.609  2960.23    249.549  73.613  7.0419  73.766  3.1234  -0.1522369     7.703552  
1 1 1 1   67  18 o 71.676  3.1606  2796.86    245.370  3317.88    555.355  2670.48    273.514  77.090  6.7184  69.889  3.6258  7.201286       7.634338  
1 1 1 1   67  19 o 111.122 3.1302  6727.21    376.739  6857.91    782.598  6687.78    429.821  110.912 6.5436  110.693 3.5850  0.2183533      7.461338  
1 1 1 1   67  20 o 79.319  3.1943  3431.85    274.423  3192.44    595.450  3496.42    309.220  75.000  7.4279  79.990  3.5691  -4.990044      8.240852  
1 1 1 1   67  21 o 17.764  2.4640  174.974    46.132   435.247    439.060  172.069    46.388   29.064  10.657  17.607  2.5030  11.45712       10.94694  
1 1 1 1   67  22 f 21.002  6.8470  242.980    178.864  239.908    434.678  243.607    196.249  25.591  10.274  21.273  7.1793  4.317657       12.53416  
1 1 1 1   67  23 o 13.422  5.9545  -48.7619   172.485  -94.6350   417.594  -39.3259   189.395  20.546  9.1806  14.282  6.2926  6.264616       11.13015  
1 1 1 1   67  24 o 16.167  6.5698  75.896     180.095  -428.9222  432.224  181.952    198.112  17.521  8.3339  19.292  7.1440  -1.770630      10.97680  
1 1 1 1   67  25 o ?       ?       -128.7343  32.061   -257.9001  436.296  -128.0330  32.148   18.727  8.7393  ?       ?       0.000000       8.739298  
1 1 1 1   67  26 o 19.235  7.7755  144.246    250.811  0.0000     0.0000   144.246    250.811  ?       ?       19.235  7.7755  0.000000       7.775491  
1 1 1 1   67  27 o 28.712  9.7014  560.092    358.353  0.0000     0.0000   560.092    358.353  ?       ?       28.712  9.7014  0.000000       9.701397  
1 1 1 1   67  28 o 31.541  8.8308  681.146    313.641  0.0000     0.0000   681.146    313.641  ?       ?       31.541  8.8308  0.000000       8.830791  
1 1 1 1   67  29 o 38.003  8.6577  979.680    348.402  0.0000     0.0000   979.680    348.402  ?       ?       38.003  8.6577  0.000000       8.657663  
1 1 1 1   68  0  f 139.025 3.1555  10476.89   475.153  10890.51   675.126  10070.92   668.853  141.680 4.3995  136.236 4.5328  5.443161       6.316823  
1 1 1 1   68  1  o 69.116  2.8834  2589.03    215.847  2579.06    303.971  2599.18    306.553  68.833  4.0957  69.101  4.1146  -0.2673340     5.805553  
1 1 1 1   68  2  o 142.479 3.1995  11004.59   493.740  10968.72   702.923  11039.53   693.677  142.174 4.5648  142.637 4.4901  -0.4628143     6.402969  
1 1 1 1   68  3  o 197.547 3.8508  21165.42   823.927  21236.12   1169.57  21095.75   1160.89  197.729 5.4612  197.077 5.4386  0.6521301      7.707333  
1 1 1 1   68  4  o 191.667 3.7677  19924.12   782.163  19844.09   1109.48  20003.19   1102.84  191.136 5.3593  191.906 5.3058  -0.7704468     7.541469  
1 1 1 1   68  5  o 359.577 6.1738  70318.13   2404.46  72113.82   3402.32  68526.45   3398.53  363.402 8.6441  354.174 8.8594  9.228027       12.37775  
1 1 1 1   68  6  o 305.806 5.4025  50822.51   1789.42  51031.79   2531.74  50613.60   2529.51  305.898 7.6414  304.636 7.6663  1.262909       10.82418  
1 1 1 1   68  7  o 185.708 3.7212  18710.94   748.481  18157.41   1063.11  19255.01   1053.97  182.760 5.3707  188.229 5.1698  -5.469025      7.454584  
1 1 1 1   68  8  o 135.566 3.0846  9966.82    452.922  10213.79   651.646  9736.00    629.960  137.136 4.3872  133.894 4.3439  3.242172       6.173932  
1 1 1 1   68  9  o 150.761 3.3167  12331.65   541.584  12332.38   772.516  12330.94   759.483  150.621 4.7354  150.621 4.6554  -0.7019043E-03 6.640538  
1 1 1 1   68  10 o 145.009 4.6397  11434.55   728.705  12262.41   1030.33  10606.01   1030.76  149.898 6.3462  139.322 6.8307  10.57596       9.323779  
1 1 1 1   68  11 o 138.146 4.5196  10382.46   676.258  11035.37   979.853  9788.59    934.505  142.106 6.3662  133.823 6.4474  8.283554       9.060715  
1 1 1 1   68  12 o 123.429 4.4559  8292.89    595.686  8381.97    867.385  8213.37    819.507  123.567 6.5039  122.389 6.2024  1.177467       8.987220  
1 1 1 1   68  13 f 80.006  4.6682  3500.45    402.765  3068.97    594.135  3867.35    547.865  74.310  7.4837  83.837  6.0747  -9.527245      9.638889  
1 1 1 1   68  14 o 144.855 3.3223  11405.35   521.240  11444.98   753.275  11368.94   722.009  144.817 4.8025  144.377 4.6172  0.4400024      6.661980  
1 1 1 1   68  15 o 157.824 3.5676  13553.47   609.844  12710.02   836.613  14509.79   890.837  152.467 5.0662  162.910 5.0487  -10.44292      7.152305  
1 1 1 1   68  16 o 169.243 3.6063  15599.00   661.060  15591.27   941.000  15606.54   928.878  168.711 5.1496  168.820 5.0800  -0.1083069     7.233612  
1 1 1 1   68  17 o 76.696  3.7912  3207.70    314.932  2810.52    568.765  3383.31    378.202  70.705  7.5434  78.539  4.4644  -7.833794      8.765482  
1 1 1 1   68  18 o 39.626  1.1267  850.973    48.359   259.446    435.069  858.372    48.660   26.403  10.383  39.798  1.1289  -13.39496      10.44405  
1 1 1 1   68  19 f 117.384 3.1106  7508.42    395.480  6766.08    837.681  7721.34    448.625  109.816 7.0805  118.944 3.4823  -9.127747      7.890500  
1 1 1 1   68  20 o 72.752  2.6609  2881.28    209.669  2408.06    567.044  2956.22    225.663  64.620  8.2932  73.667  2.8283  -9.047173      8.762202  
1 1 1 1   68  21 o 63.207  3.6024  2194.29    245.599  2088.48    534.196  2222.65    276.561  59.818  8.4827  63.502  4.0420  -3.683277      9.396532  
1 1 1 1   68  22 o 67.012  3.4438  2466.03    249.112  2272.05    555.548  2514.85    278.703  62.204  8.4657  67.565  3.8241  -5.361626      9.289376  
1 1 1 1   68  23 o 26.764  6.8065  424.876    197.758  516.536    444.645  402.274    220.798  29.946  10.762  26.019  7.4532  3.927567       13.09054  
1 1 1 1   68  24 o 29.559  1.7365  477.148    55.353   534.936    450.761  476.263    55.775   29.612  10.807  29.530  1.7517  0.8197784E-01  10.94813  
1 1 1 1   68  25 o 42.899  5.4261  1066.82    246.485  763.858    487.128  1171.08    285.767  33.289  11.311  44.621  6.0705  -11.33160      12.83678  
1 1 1 1   68  26 o 25.760  8.6074  417.895    282.061  0.0000     0.0000   417.895    282.061  ?       ?       25.760  8.6074  0.000000       8.607445  
1 1 1 1   68  27 o 20.525  8.6231  148.484    324.661  0.0000     0.0000   148.484    324.661  ?       ?       20.525  8.6231  0.000000       8.623071  
1 1 1 1   68  28 o 28.773  9.3685  578.252    334.900  0.0000     0.0000   578.252    334.900  ?       ?       28.773  9.3685  0.000000       9.368503  
1 1 1 1   69  0  o 103.387 2.8983  5793.61    324.544  5498.48    457.874  6091.60    460.083  100.671 4.1992  105.970 4.0085  -5.299301      5.805307  
1 1 1 1   69  1  o 171.484 3.5177  15945.86   653.352  16398.13   924.829  15495.25   923.131  173.793 4.9132  168.929 5.0453  4.863815       7.042329  
1 1 1 1   69  2  o 197.090 3.8325  21069.20   818.130  21447.88   1159.09  20693.22   1154.94  198.702 5.3857  195.166 5.4637  3.535782       7.671897  
1 1 1 1   69  3  o 132.450 3.1063  9510.53    445.620  9342.48    633.709  9674.92    626.753  131.200 4.4595  133.522 4.3338  -2.322021      6.218447  
1 1 1 1   69  4  o 193.361 3.7965  20281.60   795.104  20495.77   1128.00  20070.11   1120.93  194.218 5.3623  192.188 5.3850  2.030060       7.599463  
1 1 1 1   69  5  o 94.327  2.8997  4823.56    296.254  4766.62    423.981  4877.88    414.125  93.717  4.1769  94.811  4.0327  -1.094437      5.806025  
1 1 1 1   69  6  o 109.034 2.9864  6445.94    352.680  6286.22    500.364  6603.62    497.181  107.606 4.2932  110.298 4.1618  -2.691383      5.979262  
1 1 1 1   69  7  o 65.224  3.0094  2306.99    212.600  2155.31    304.353  2451.53    297.102  62.832  4.5021  67.073  4.1095  -4.240902      6.095663  
1 1 1 1   69  8  o 77.088  2.8449  3222.53    237.537  3555.05    347.382  2930.52    325.536  80.917  3.9637  73.344  4.1145  7.572456       5.713155  
1 1 1 1   69  9  o 171.555 3.5702  15976.30   663.393  15623.73   941.379  16324.11   935.012  169.439 5.1296  173.218 4.9837  -3.779785      7.151930  
1 1 1 1   69  10 o 29.963  5.2381  503.115    163.801  776.508    264.427  332.884    208.656  37.111  6.8302  24.506  7.3087  12.60501       10.00345  
1 1 1 1   69  11 o 38.996  4.1275  836.133    171.684  931.568    262.564  764.856    226.913  40.849  6.1232  36.983  5.8601  3.865204       8.475557  
1 1 1 1   69  12 o 65.289  4.7292  2334.83    332.156  2288.91    519.575  2366.56    431.948  64.060  7.6391  65.478  6.1632  -1.418129      9.815396  
1 1 1 1   69  13 o 28.434  7.8736  459.933    250.772  589.854    431.910  393.862    308.005  32.811  10.637  27.201  8.9907  5.610090       13.92734  
1 1 1 1   69  14 o 41.003  7.0650  951.293    302.436  373.424    462.882  1381.75    399.502  29.101  10.891  49.450  7.7104  -20.34943      13.34443  
1 1 1 1   69  15 o 98.025  4.4185  5244.09    469.119  5615.59    718.045  4967.44    619.648  100.752 6.6168  94.899  6.0602  5.852867       8.972663  
1 1 1 1   69  16 f 102.618 3.1942  5729.19    355.024  5524.99    529.116  5896.40    478.805  100.467 4.8625  103.919 4.2540  -3.451553      6.460622  
1 1 1 1   69  17 o 177.293 4.2575  17179.31   817.560  16031.00   1426.53  17740.96   997.661  169.470 7.7717  179.800 5.1230  -10.33008      9.308292  
1 1 1 1   69  18 o 40.228  4.4652  897.071    191.270  1137.72    464.009  847.810    209.936  43.777  10.005  38.956  5.0979  4.820793       11.22859  
1 1 1 1   69  19 f 57.710  3.8282  1829.26    237.930  2263.30    514.450  1711.16    268.355  62.984  7.7016  55.659  4.4897  7.325130       8.914721  
1 1 1 1   69  20 o 73.333  3.2596  2936.32    258.901  3290.06    572.512  2845.38    290.279  76.219  7.0138  72.003  3.7350  4.215408       7.946280  
1 1 1 1   69  21 o 94.766  3.1919  4906.49    327.623  4884.18    688.030  4913.03    372.573  92.848  6.8909  94.707  3.6321  -1.858665      7.789514  
1 1 1 1   69  22 o 75.776  3.3266  3145.23    273.028  2551.44    597.272  3302.09    306.979  65.747  8.5930  77.552  3.6547  -11.80498      9.337896  
1 1 1 1   69  23 o 49.669  2.1765  1344.55    117.087  1370.23    495.810  1343.03    120.495  46.515  10.128  49.632  2.2415  -3.117249      10.37352  
1 1 1 1   69  24 o 23.555  7.0741  333.748    194.974  9.4316     449.747  408.806    216.363  21.807  9.6478  25.856  7.3683  -4.049576      12.13969  
1 1 1 1   69  25 o 39.439  5.4383  904.974    226.125  988.427    483.940  881.665    255.763  37.572  11.114  38.449  6.3643  -0.8770103     12.80682  
1 1 1 1   69  26 o 32.200  8.2892  671.155    290.810  0.0000     0.0000   671.155    290.810  ?       ?       32.200  8.2892  0.000000       8.289249  
1 1 1 1   69  27 o 29.522  9.1727  594.395    324.214  0.0000     0.0000   594.395    324.214  ?       ?       29.522  9.1727  0.000000       9.172674  
1 1 1 1   69  28 o 29.451  8.7183  591.130    297.727  0.0000     0.0000   591.130    297.727  ?       ?       29.451  8.7183  0.000000       8.718278  
1 1 1 1   70  0  o 378.239 6.4867  77851.08   2657.42  78903.31   3759.58  76800.43   3756.73  379.890 9.1372  374.747 9.2555  5.142792       13.00587  
1 1 1 1   70  1  o 126.589 3.0237  8687.46    414.577  8459.46    586.083  8915.78    586.519  124.848 4.3342  128.178 4.2247  -3.329956      6.052579  
1 1 1 1   70  2  o 284.283 5.0659  43899.23   1559.83  43479.41   2205.95  44319.04   2205.92  282.483 7.2100  285.214 7.1408  -2.731079      10.14766  
1 1 1 1   70  3  o 162.127 3.4255  14255.15   601.514  14528.79   851.864  13983.03   849.479  163.561 4.8086  160.452 4.8881  3.108917       6.856803  
1 1 1 1   70  4  o 95.187  2.7348  4911.52    281.950  4773.60    381.329  5077.86    418.770  93.801  3.7534  96.733  3.9970  -2.931381      5.483033  
1 1 1 1   70  5  o 197.306 3.8602  21125.98   824.940  21275.82   1169.46  20977.59   1163.84  197.800 5.4587  196.407 5.4710  1.393021       7.728451  
1 1 1 1   70  6  o 344.362 5.9775  64566.95   2229.49  65613.96   3154.30  63521.68   3151.66  346.233 8.4113  340.612 8.5430  5.621857       11.98886  
1 1 1 1   70  7  o 386.444 6.6418  81465.81   2779.97  81975.46   3933.01  80956.95   3929.95  386.247 9.4013  383.809 9.4537  2.437927       13.33257  
1 1 1 1   70  8  o 165.906 3.4802  14939.19   625.375  14453.82   887.362  15418.16   881.495  162.992 5.0265  168.371 4.8337  -5.378738      6.973537  
1 1 1 1   70  9  o 96.574  2.9408  5059.93    307.612  4989.66    446.535  5123.39    424.368  95.803  4.3033  97.101  4.0350  -1.297775      5.899164  
1 1 1 1   70  10 o 61.459  3.2112  2056.10    213.015  2110.22    325.237  2015.44    281.889  62.061  4.8778  60.721  4.3142  1.339844       6.511977  
1 1 1 1   70  11 o 83.216  2.9790  3759.08    268.500  3936.40    400.869  3614.81    361.593  84.929  4.3728  81.413  4.1140  3.515564       6.003839  
1 1 1 1   70  12 o 143.293 3.2788  11155.54   508.872  11004.27   730.567  11298.09   709.214  142.068 4.7478  143.992 4.5474  -1.924103      6.574258  
1 1 1 1   70  13 o 119.650 4.4576  7804.20    577.680  7938.99    849.820  7688.41    787.645  120.050 6.5606  118.250 6.1712  1.800140       9.006923  
1 1 1 1   70  14 o 52.236  5.3660  1508.65    299.276  1786.48    488.443  1341.66    378.684  56.171  8.2765  48.762  7.4027  7.408577       11.10405  
1 1 1 1   70  15 f 91.596  4.4788  4582.38    444.334  4361.68    680.847  4746.11    586.436  88.511  7.1634  92.761  5.8672  -4.249260      9.259495  
1 1 1 1   70  16 f 15.762  6.9678  -67.1093   234.107  123.120    403.409  -163.7038  287.463  23.708  9.7559  16.342  7.4298  7.366358       12.26296  
1 1 1 1   70  17 o 112.435 6.1330  7003.33    744.044  0.0000     0.0000   7003.33    744.044  ?       ?       112.435 6.1330  0.000000       6.132987  
1 1 1 1   70  18 o 42.050  4.7770  982.895    213.704  503.529    471.608  1106.76    239.729  31.028  11.090  44.587  5.0534  -13.55859      12.18724  
1 1 1 1   70  19 o 64.197  3.3943  2256.06    235.173  1906.97    532.727  2340.55    262.094  57.213  8.8852  65.321  3.7199  -8.108631      9.632440  
1 1 1 1   70  20 o 23.055  7.0201  302.088    191.043  552.612    444.214  245.235    211.613  31.315  10.797  21.624  7.4522  9.690313       13.11894  
1 1 1 1   70  21 o 56.389  3.8924  1753.41    236.273  2385.24    525.992  1593.70    264.455  64.285  7.7080  53.553  4.6041  10.73243       8.978380  
1 1 1 1   70  22 o 52.191  2.1783  1482.89    123.134  1631.45    506.498  1473.56    126.942  51.837  9.3660  52.017  2.2532  -0.1801720     9.633210  
1 1 1 1   70  23 o 20.743  7.2149  234.012    198.572  383.908    463.293  200.278    219.783  27.457  10.739  20.216  7.5169  7.241014       13.10837  
1 1 1 1   70  24 f 20.102  7.1093  220.495    193.312  161.229    456.742  233.428    213.364  23.690  10.102  20.757  7.4552  2.932625       12.55489  
1 1 1 1   70  25 o 39.563  2.0401  857.068    87.122   0.0000     0.0000   857.068    87.122   ?       ?       39.563  2.0401  0.000000       2.040076  
1 1 1 1   70  26 f 31.894  8.3680  663.900    292.683  0.0000     0.0000   663.900    292.683  ?       ?       31.894  8.3680  0.000000       8.368029  
1 1 1 1   70  27 o 23.563  8.8462  334.077    305.818  0.0000     0.0000   334.077    305.818  ?       ?       23.563  8.8462  0.000000       8.846158  
1 1 1 1   70  28 o 44.739  7.0238  1251.25    329.142  0.0000     0.0000   1251.25    329.142  ?       ?       44.739  7.0238  0.000000       7.023794  
1 1 1 1   71  0  o 99.173  2.8435  5331.85    305.437  5299.31    434.985  5363.49    428.983  98.817  4.0642  99.418  3.9839  -0.6006546     5.691119  
1 1 1 1   71  1  o 96.772  2.8240  5076.76    295.999  5299.17    421.993  4861.35    415.298  98.821  3.9426  94.645  4.0513  4.175583       5.653061  
1 1 1 1   71  2  o 106.011 2.8858  6092.87    331.351  5855.92    470.607  6325.81    466.621  103.866 4.1832  107.965 3.9904  -4.098076      5.781229  
1 1 1 1   71  3  o 204.387 3.9508  22671.57   874.605  22877.72   1239.92  22467.43   1233.85  205.095 5.5817  203.244 5.6050  1.851013       7.910241  
1 1 1 1   71  4  o 128.425 3.0717  8944.03    427.271  9255.67    608.261  8640.48    600.322  130.557 4.3015  126.136 4.3942  4.420769       6.149111  
1 1 1 1   71  5  o 92.435  2.8512  4633.03    285.449  4623.85    409.269  4641.73    398.325  92.282  4.0947  92.467  3.9772  -0.1850586     5.708326  
1 1 1 1   71  6  o 136.246 3.1877  10070.00   470.401  9958.62    667.118  10180.14   663.392  135.372 4.5499  136.877 4.4748  -1.505112      6.381655  
1 1 1 1   71  7  o 141.089 3.1640  10800.11   483.508  11108.83   689.048  10500.64   678.637  142.963 4.4499  138.988 4.5081  3.975143       6.334395  
1 1 1 1   71  8  o 247.327 4.5235  33266.17   1211.75  32976.95   1714.55  33554.80   1712.79  245.722 6.4422  247.886 6.3794  -2.163864      9.066391  
1 1 1 1   71  9  o 163.035 3.4535  14433.97   609.828  15000.01   869.035  13884.83   855.967  165.984 4.8339  159.675 4.9494  6.309799       6.918325  
1 1 1 1   71  10 o 114.064 3.0038  7062.43    371.101  7260.59    532.423  6875.20    517.527  115.518 4.2554  112.411 4.2506  3.107079       6.014637  
1 1 1 1   71  11 o 169.123 3.5265  15545.06   645.968  15909.21   922.349  15194.51   904.973  170.789 4.9861  166.904 5.0061  3.885010       7.065586  
1 1 1 1   71  12 o 107.523 2.9694  6278.57    345.816  6382.44    515.926  6193.84    465.991  108.228 4.4013  106.669 4.0334  1.558685       5.969883  
1 1 1 1   71  13 o 118.038 3.1222  7571.17    399.169  7309.41    578.190  7809.55    551.759  115.747 4.6120  119.708 4.2556  -3.960152      6.275373  
1 1 1 1   71  14 o 124.947 3.1608  8487.92    427.751  8143.30    617.861  8805.13    592.781  122.100 4.6720  127.046 4.3079  -4.946243      6.354984  
1 1 1 1   71  15 o 81.135  4.7784  3613.30    418.060  3499.53    627.135  3704.29    560.854  79.108  7.4055  81.732  6.3863  -2.624413      9.778912  
1 1 1 1   71  16 o 71.868  4.9611  2844.18    383.811  1966.65    628.838  3365.16    484.528  57.981  10.395  77.983  5.7776  -20.00193      11.89301  
1 1 1 1   71  17 o 40.822  8.3824  969.295    358.210  0.0000     0.0000   969.295    358.210  ?       ?       40.822  8.3824  0.000000       8.382376  
1 1 1 1   71  18 o 118.734 4.3041  7726.77    553.517  0.0000     0.0000   7726.77    553.517  ?       ?       118.734 4.3041  0.000000       4.304137  
1 1 1 1   71  19 f 53.680  4.3338  1592.00    249.824  0.0000     0.0000   1592.00    249.824  ?       ?       53.680  4.3338  0.000000       4.333781  
1 1 1 1   71  20 o 118.049 3.1552  7609.24    403.417  7998.31    842.328  7493.43    459.550  119.263 6.5459  116.993 3.6266  2.269882       7.483413  
1 1 1 1   71  21 o 120.135 3.1693  7891.52    412.389  7248.50    872.246  8076.63    467.999  112.734 7.1809  121.384 3.5597  -8.650650      8.014821  
1 1 1 1   71  22 o 106.799 3.0496  6246.76    352.754  6070.79    781.179  6291.84    395.358  102.602 7.0727  107.033 3.4104  -4.431152      7.851989  
1 1 1 1   71  23 o 73.729  3.4152  2999.18    272.723  2564.07    602.026  3111.52    305.913  64.490  8.8524  74.851  3.7857  -10.36095      9.627881  
1 1 1 1   71  24 o 64.933  3.8626  2354.18    270.431  1993.24    570.838  2458.63    307.076  55.425  9.8709  66.121  4.3114  -10.69662      10.77141  
1 1 1 1   71  25 o 30.239  8.3608  587.473    283.008  0.0000     0.0000   587.473    283.008  ?       ?       30.239  8.3608  0.000000       8.360812  
1 1 1 1   71  26 o 31.627  8.4637  657.548    295.637  0.0000     0.0000   657.548    295.637  ?       ?       31.627  8.4637  0.000000       8.463699  
1 1 1 1   71  27 o 20.337  8.4979  157.975    312.691  0.0000     0.0000   157.975    312.691  ?       ?       20.337  8.4979  0.000000       8.497884  
1 1 1 1   72  0  o 87.852  2.8075  4184.46    267.139  4169.70    377.419  4199.27    378.166  87.647  3.9757  87.957  3.9695  -0.3105316     5.618146  
1 1 1 1   72  1  o 83.355  2.8461  3767.20    256.956  3888.93    358.670  3638.85    368.301  84.647  3.9121  81.762  4.1728  2.885208       5.719915  
1 1 1 1   72  2  o 162.712 3.4088  14362.63   600.744  14255.54   849.592  14469.72   849.570  161.962 4.8431  163.178 4.8069  -1.216370      6.823666  
1 1 1 1   72  3  o 80.330  2.8498  3498.94    247.945  3451.32    352.274  3545.69    349.043  79.623  4.0987  80.816  3.9876  -1.192924      5.718425  
1 1 1 1   72  4  o 233.015 4.3338  29493.82   1093.76  29854.34   1549.96  29136.22   1543.67  234.083 6.1134  231.239 6.1635  2.843948       8.681107  
1 1 1 1   72  5  o 305.241 5.3719  50708.13   1775.98  52391.18   2514.76  49033.45   2508.49  309.540 7.5008  299.365 7.7365  10.17496       10.77567  
1 1 1 1   72  6  o 326.075 5.7002  57930.74   2013.15  58790.13   2849.31  57074.09   2844.75  327.510 8.0324  322.643 8.1405  4.867462       11.43622  
1 1 1 1   72  7  o 334.657 5.8479  61078.12   2119.67  62031.13   2999.62  60127.59   2995.72  336.102 8.2399  330.838 8.3602  5.264130       11.73837  
1 1 1 1   72  8  o 141.657 3.1759  10891.94   487.270  11523.35   696.463  10286.53   681.974  145.550 4.4179  137.495 4.5794  8.055206       6.363093  
1 1 1 1   72  9  o 48.102  3.6585  1264.49    189.175  1147.60    297.826  1343.55    244.933  45.403  6.2199  49.463  4.6256  -4.059963      7.751339  
1 1 1 1   72  10 o 109.082 2.9813  6459.76    352.233  6683.04    510.804  6257.33    486.360  110.810 4.2561  107.231 4.1876  3.578796       5.970785  
1 1 1 1   72  11 o 10.765  5.0065  -127.9801  141.274  -194.9972  226.746  -85.4582   180.615  13.732  6.3718  13.341  5.9939  0.3907671      8.747952  
1 1 1 1   72  12 o 135.967 3.2764  10047.53   482.508  10295.03   674.562  9788.23    690.455  137.408 4.5325  133.936 4.7596  3.471634       6.572471  
1 1 1 1   72  13 o 27.179  6.0422  421.062    173.258  785.592    276.318  184.889    222.411  37.144  7.1276  20.507  7.5743  16.63696       10.40058  
1 1 1 1   72  14 o 48.779  3.9509  1305.37    206.942  1259.83    340.166  1332.13    260.742  47.309  6.8369  49.098  4.9717  -1.788490      8.453485  
1 1 1 1   72  15 o 47.605  4.2239  1246.90    215.524  1523.94    342.730  1065.68    277.190  52.244  6.1763  43.603  6.0308  8.641022       8.632396  
1 1 1 1   72  16 o 99.966  3.2087  5441.02    347.421  5172.95    519.912  5657.30    466.992  96.988  4.9660  101.730 4.2383  -4.742508      6.528681  
1 1 1 1   72  17 o 30.021  8.1001  524.348    269.467  578.743    459.017  495.744    332.861  32.327  10.979  29.545  9.3127  2.782249       14.39707  
1 1 1 1   72  18 o 43.795  5.6890  1077.93    263.484  0.0000     0.0000   1077.93    263.484  ?       ?       43.795  5.6890  0.000000       5.689020  
1 1 1 1   72  19 o 52.489  4.7970  1530.56    269.702  0.0000     0.0000   1530.56    269.702  ?       ?       52.489  4.7970  0.000000       4.797015  
1 1 1 1   72  20 o 53.999  5.1108  1627.62    295.358  0.0000     0.0000   1627.62    295.358  ?       ?       53.999  5.1108  0.000000       5.110794  
1 1 1 1   72  21 o 66.369  2.8126  2404.87    202.183  0.0000     0.0000   2404.87    202.183  ?       ?       66.369  2.8126  0.000000       2.812608  
1 1 1 1   72  22 o 47.878  4.2725  1281.10    219.231  587.373    509.279  1438.90    242.887  31.409  11.484  50.689  4.4698  -19.27977      12.32276  
1 1 1 1   72  23 o 48.793  4.7469  1349.95    247.687  776.681    515.261  1522.23    282.463  33.933  11.632  51.656  5.1159  -17.72311      12.70749  
1 1 1 1   72  24 o 16.836  3.2035  161.424    56.282   -191.9572  482.460  166.299    56.669   20.327  9.3831  17.100  3.1766  3.226667       9.906251  
1 1 1 1   72  25 o 61.958  5.3608  2221.35    356.203  0.0000     0.0000   2221.35    356.203  ?       ?       61.958  5.3608  0.000000       5.360796  
1 1 1 1   72  26 o 22.168  8.4575  271.590    282.228  0.0000     0.0000   271.590    282.228  ?       ?       22.168  8.4575  0.000000       8.457470  
1 1 1 1   72  27 o 33.943  8.3318  763.083    304.040  0.0000     0.0000   763.083    304.040  ?       ?       33.943  8.3318  0.000000       8.331800  
1 1 1 1   73  0  o 63.624  2.8913  2195.17    199.246  2159.83    281.265  2230.76    282.291  62.929  4.1499  63.965  4.0961  -1.035160      5.830952  
1 1 1 1   73  1  o 119.494 2.9662  7743.73    383.894  7590.52    545.902  7893.64    539.963  118.216 4.2635  120.564 4.1350  -2.347839      5.939353  
1 1 1 1   73  2  f 53.110  3.1621  1535.47    181.072  1631.58    260.078  1445.05    252.251  54.622  4.4344  51.365  4.5823  3.256695       6.376590  
1 1 1 1   73  3  o 55.532  3.1020  1677.98    185.828  1446.39    264.434  1903.94    261.196  51.356  4.8100  59.066  4.1084  -7.710651      6.325745  
1 1 1 1   73  4  o 59.755  3.0418  1941.93    196.216  1757.97    274.798  2133.28    280.266  56.693  4.5126  62.528  4.1621  -5.834606      6.138936  
1 1 1 1   73  5  o 36.419  4.0724  729.505    157.890  624.809    243.189  805.794    207.591  33.199  6.9845  38.134  5.1584  -4.935875      8.682847  
1 1 1 1   73  6  o 206.609 3.9856  23194.28   891.891  23270.94   1266.31  23118.82   1256.40  206.603 5.6589  205.933 5.6329  0.6700439      7.984545  
1 1 1 1   73  7  o 95.685  2.8505  4967.41    295.418  5188.28    425.071  4761.07    410.858  97.701  4.0169  93.589  4.0532  4.111839       5.706509  
1 1 1 1   73  8  o 117.628 3.0181  7510.09    384.517  7538.00    557.620  7484.79    530.940  117.699 4.3742  117.307 4.1788  0.3917770      6.049434  
1 1 1 1   73  9  o 130.684 3.1172  9273.28    441.217  9709.45    633.018  8861.17    615.310  133.552 4.3762  127.573 4.4531  5.979012       6.243508  
1 1 1 1   73  10 o 218.508 4.1561  25989.92   983.607  26464.16   1394.61  25520.52   1387.48  219.940 5.8543  215.954 5.9319  3.985947       8.334320  
1 1 1 1   73  11 o 100.514 3.0427  5487.59    331.250  5449.94    482.021  5521.28    455.981  99.999  4.4504  100.689 4.1811  -0.6897736     6.106386  
1 1 1 1   73  12 o 69.069  3.0598  2592.10    228.902  2412.65    360.093  2713.78    296.523  66.258  5.0559  70.493  3.8988  -4.234886      6.384568  
1 1 1 1   73  13 o 95.684  3.0513  4976.60    316.228  4629.31    466.767  5271.25    429.929  91.933  4.7034  98.339  4.0365  -6.405579      6.197997  
1 1 1 1   73  14 o 105.612 3.0315  6064.74    346.765  6152.73    528.106  5998.04    459.764  106.099 4.5956  104.865 4.0480  1.234291       6.124151  
1 1 1 1   73  15 o 109.812 3.2237  6563.36    383.415  6115.91    556.296  6968.27    529.182  105.664 4.8608  112.921 4.3267  -7.256348      6.507537  
1 1 1 1   73  16 o 130.644 3.3170  9299.39    469.359  9675.92    695.412  8984.36    636.095  132.812 4.8343  128.059 4.5861  4.752365       6.663538  
1 1 1 1   73  17 o 118.465 3.2855  7652.00    421.560  7218.13    619.048  8027.19    575.664  114.552 4.9894  121.013 4.3920  -6.460518      6.647128  
1 1 1 1   73  18 o 28.559  6.4856  472.066    196.044  739.991    449.685  409.195    217.834  35.261  10.778  26.563  7.3315  8.697823       13.03482  
1 1 1 1   73  19 o 21.259  7.7558  216.404    232.126  0.0000     0.0000   216.404    232.126  ?       ?       21.259  7.7558  0.000000       7.755813  
1 1 1 1   73  20 o 33.750  6.6514  661.587    234.490  0.0000     0.0000   661.587    234.490  ?       ?       33.750  6.6514  0.000000       6.651350  
1 1 1 1   73  21 o 69.580  4.3975  2688.59    329.699  0.0000     0.0000   2688.59    329.699  ?       ?       69.580  4.3975  0.000000       4.397491  
1 1 1 1   73  22 o 60.522  4.7290  2060.40    307.535  0.0000     0.0000   2060.40    307.535  ?       ?       60.522  4.7290  0.000000       4.729033  
1 1 1 1   73  23 o 32.449  7.2137  642.042    246.960  0.0000     0.0000   642.042    246.960  ?       ?       32.449  7.2137  0.000000       7.213665  
1 1 1 1   73  24 o 22.542  7.7716  296.373    230.154  361.039    479.302  276.994    262.383  26.514  10.738  22.417  8.2355  4.096722       13.53256  
1 1 1 1   73  25 o 22.078  8.7591  237.082    312.188  0.0000     0.0000   237.082    312.188  ?       ?       22.078  8.7591  0.000000       8.759063  
1 1 1 1   73  26 o 29.197  9.2637  578.601    328.950  0.0000     0.0000   578.601    328.950  ?       ?       29.197  9.2637  0.000000       9.263692  
1 1 1 1   73  27 o 17.398  7.8191  -37.4350   307.615  0.0000     0.0000   -37.4350   307.615  ?       ?       17.398  7.8191  0.000000       7.819055  
1 1 1 1   74  0  o 158.786 3.3728  13682.07   580.056  13522.98   820.882  13840.73   819.765  157.694 4.8061  159.544 4.7439  -1.850388      6.753065  
1 1 1 1   74  1  o 153.222 3.3163  12739.36   550.353  12616.30   777.149  12863.16   779.488  152.325 4.7105  153.812 4.6789  -1.487152      6.639345  
1 1 1 1   74  2  o 124.528 3.0195  8412.23    407.261  8467.14    576.104  8357.38    575.803  124.829 4.2610  124.015 4.2868  0.8142471      6.044236  
1 1 1 1   74  3  o 100.983 2.8695  5531.28    313.847  5568.65    453.761  5497.00    434.555  101.237 4.1383  100.595 3.9884  0.6416473      5.747398  
1 1 1 1   74  4  f 112.372 2.9467  6850.54    358.645  6540.92    506.375  7162.18    508.030  109.698 4.2619  114.807 4.0856  -5.108543      5.903860  
1 1 1 1   74  5  o 75.511  2.8564  3093.32    233.617  2935.25    336.637  3240.18    324.469  73.357  4.2552  77.127  3.8968  -3.770844      5.769892  
1 1 1 1   74  6  o 99.506  2.8780  5372.41    310.172  5665.99    452.341  5111.87    426.129  102.089 4.0909  96.971  4.0572  5.117348       5.761640  
1 1 1 1   74  7  o 171.187 3.5155  15919.13   651.819  16771.67   923.870  15074.14   919.766  175.465 4.8613  166.298 5.1065  9.167038       7.050395  
1 1 1 1   74  8  o 62.632  2.9732  2129.47    201.691  2124.08    302.550  2133.77    270.587  62.296  4.5146  62.507  4.0180  -0.2107964     6.043716  
1 1 1 1   74  9  o 31.141  4.6092  539.664    150.769  591.125    220.491  494.473    206.624  32.273  6.5319  29.458  6.6355  2.815845       9.311049  
1 1 1 1   74  10 o 111.232 3.0252  6719.63    364.470  6637.67    527.838  6794.33    503.872  110.374 4.4154  111.706 4.1646  -1.332359      6.069538  
1 1 1 1   74  11 o 165.015 3.5100  14808.61   627.337  14548.52   896.579  15058.09   878.087  163.187 5.0726  166.074 4.8817  -2.886810      7.040040  
1 1 1 1   74  12 o 65.493  3.2177  2332.01    228.249  2256.99    350.455  2387.27    300.793  64.046  5.0942  66.038  4.2276  -1.992157      6.619897  
1 1 1 1   74  13 f 52.962  3.7447  1535.51    213.425  1371.48    352.927  1630.08    267.976  49.418  6.7718  54.435  4.5879  -5.017170      8.179663  
1 1 1 1   74  14 o 33.200  1.5938  597.622    57.311   655.723    317.543  595.666    58.268   33.595  8.6688  33.145  1.6231  0.4504547      8.819414  
1 1 1 1   74  15 o 83.315  3.1705  3778.64    286.100  4123.53    421.712  3484.54    389.428  86.692  4.5068  79.667  4.5318  7.024651       6.391314  
1 1 1 1   74  16 o 53.379  4.0887  1566.99    234.594  1481.82    377.000  1620.82    299.682  51.153  6.9872  54.048  5.1828  -2.895035      8.699608  
1 1 1 1   74  17 o 95.884  3.3515  5015.69    348.059  5345.96    514.293  4736.59    472.783  98.607  4.8154  92.729  4.7230  5.877808       6.744976  
1 1 1 1   74  18 o 124.945 3.1729  8517.97    429.381  8417.14    892.552  8548.33    489.780  122.430 6.7571  125.028 3.6168  -2.597969      7.664178  
1 1 1 1   74  19 o 111.323 3.1410  6765.46    378.721  6622.34    795.893  6807.35    430.594  108.354 6.8165  111.539 3.5643  -3.184715      7.692083  
1 1 1 1   74  20 o 36.500  6.3245  768.460    240.969  1001.06    472.358  686.631    280.166  40.088  10.685  34.002  7.7764  6.086342       13.21512  
1 1 1 1   74  21 o 55.385  4.8654  1722.11    288.905  0.0000     0.0000   1722.11    288.905  ?       ?       55.385  4.8654  0.000000       4.865395  
1 1 1 1   74  22 o 31.199  8.1335  603.884    277.663  0.0000     0.0000   603.884    277.663  ?       ?       31.199  8.1335  0.000000       8.133522  
1 1 1 1   74  23 o 17.772  7.6638  27.180     268.396  0.0000     0.0000   27.180     268.396  ?       ?       17.772  7.6638  0.000000       7.663805  
1 1 1 1   74  24 o 63.798  5.5766  2356.85    381.473  0.0000     0.0000   2356.85    381.473  ?       ?       63.798  5.5766  0.000000       5.576629  
1 1 1 1   74  25 o 49.240  6.3955  1453.35    333.031  0.0000     0.0000   1453.35    333.031  ?       ?       49.240  6.3955  0.000000       6.395479  
1 1 1 1   74  26 o 43.331  7.9274  1201.19    358.342  0.0000     0.0000   1201.19    358.342  ?       ?       43.331  7.9274  0.000000       7.927409  
1 1 1 1   75  0  o 139.553 3.1625  10568.02   478.006  10511.35   676.695  10624.46   675.312  139.035 4.4936  139.785 4.4604  -0.7502136     6.331494  
1 1 1 1   75  1  o 63.528  2.8325  2189.19    194.897  2084.07    280.184  2287.74    271.284  61.781  4.2123  64.781  3.8843  -2.999313      5.729850  
1 1 1 1   75  2  o 85.890  2.7625  4001.37    256.992  4089.23    366.594  3916.47    360.369  86.759  3.9012  84.906  3.9187  1.853607       5.529506  
1 1 1 1   75  3  o 80.313  2.8602  3499.26    248.802  3345.67    349.194  3657.62    354.586  78.349  4.1295  82.043  3.9903  -3.693787      5.742449  
1 1 1 1   75  4  o 56.587  3.0708  1742.85    187.500  1673.93    263.632  1813.41    266.725  55.298  4.4391  57.587  4.3075  -2.289040      6.185452  
1 1 1 1   75  5  o 89.667  2.8102  4362.33    272.920  4473.09    392.162  4258.30    380.058  90.712  3.9915  88.509  3.9645  2.202492       5.625777  
1 1 1 1   75  6  o 64.994  2.9933  2292.79    210.715  2182.20    317.610  2379.74    281.618  63.134  4.6780  66.042  3.9552  -2.908218      6.125985  
1 1 1 1   75  7  o 65.367  2.9709  2319.45    210.335  2505.17    301.858  2144.18    293.247  67.734  4.1344  62.615  4.3510  5.118813       6.002015  
1 1 1 1   75  8  o 41.994  3.5832  965.482    161.419  908.583    250.163  1006.07    211.290  40.346  5.8989  42.722  4.6408  -2.375969      7.505636  
1 1 1 1   75  9  o 78.586  2.8734  3352.96    244.575  3467.30    348.854  3242.44    342.984  79.713  4.0539  77.068  4.1239  2.644989       5.782819  
1 1 1 1   75  10 o 139.685 3.2193  10603.08   487.053  10922.14   698.389  10300.97   679.591  141.527 4.5560  137.442 4.5652  4.085297       6.449667  
1 1 1 1   75  11 o 20.332  6.4378  223.949    158.929  188.636    266.507  243.437    197.986  21.673  8.2305  21.586  7.2114  0.8678818E-01  10.94285  
1 1 1 1   75  12 o 69.989  3.1621  2663.52    239.705  2571.65    365.696  2732.73    317.399  68.394  4.9706  70.667  4.1652  -2.273796      6.485105  
1 1 1 1   75  13 o 89.117  3.0810  4318.84    297.388  4652.35    456.875  4073.64    391.740  92.265  4.5718  86.399  4.1862  5.865608       6.198869  
1 1 1 1   75  14 o 159.214 3.5192  13810.38   606.875  13228.07   870.565  14360.88   846.445  155.283 5.1762  161.931 4.8261  -6.648270      7.077020  
1 1 1 1   75  15 o 52.570  4.0552  1518.79    229.114  1174.31    361.973  1749.06    295.942  45.283  7.6530  56.257  4.9061  -10.97354      9.090503  
1 1 1 1   75  16 o 123.073 3.2543  8256.56    433.796  8358.51    638.174  8168.99    591.447  123.369 4.7760  122.067 4.4735  1.302643       6.543865  
1 1 1 1   75  17 o 92.016  3.3075  4619.99    329.634  4906.38    497.909  4396.53    439.822  94.284  4.8926  89.349  4.5600  4.934776       6.688089  
1 1 1 1   75  18 o 53.707  4.9558  1604.27    285.029  1674.89    506.777  1571.59    344.721  53.329  9.1002  52.784  6.1447  0.5452538      10.98046  
1 1 1 1   75  19 o 13.436  6.0254  -73.9832   181.630  441.001    438.654  -180.5462  199.539  29.087  10.654  12.641  5.9027  16.44627       12.17991  
1 1 1 1   75  20 o 16.885  6.6238  103.310    176.664  387.543    446.881  50.661     192.331  27.962  10.649  16.172  6.7030  11.79090       12.58258  
1 1 1 1   75  21 f 27.180  6.9418  442.150    205.087  181.620    462.670  505.858    228.792  24.633  10.318  28.980  7.2944  -4.347162      12.63641  
1 1 1 1   75  22 o 18.763  7.7097  105.884    251.475  249.109    454.796  42.810     301.810  25.034  10.336  18.978  8.1550  6.056486       13.16605  
1 1 1 1   75  23 o 64.080  5.2244  2348.58    359.445  0.0000     0.0000   2348.58    359.445  ?       ?       64.080  5.2244  0.000000       5.224419  
1 1 1 1   75  24 o 30.045  8.6479  584.589    296.611  0.0000     0.0000   584.589    296.611  ?       ?       30.045  8.6479  0.000000       8.647866  
1 1 1 1   75  25 o 48.896  7.5695  1489.67    387.921  0.0000     0.0000   1489.67    387.921  ?       ?       48.896  7.5695  0.000000       7.569518  
1 1 1 1   75  26 o 44.773  7.8413  1275.35    366.401  0.0000     0.0000   1275.35    366.401  ?       ?       44.773  7.8413  0.000000       7.841296  
1 1 1 1   76  0  o 103.146 2.8503  5772.10    318.424  5567.90    450.044  5976.81    450.596  101.206 4.1056  104.869 3.9671  -3.663528      5.709089  
1 1 1 1   76  1  o 115.068 2.9353  7184.44    365.831  6857.30    517.360  7511.60    517.366  112.298 4.2536  117.554 4.0634  -5.256332      5.882519  
1 1 1 1   76  2  o 82.967  2.7985  3734.48    251.478  3962.36    355.128  3505.27    356.163  85.393  3.8397  80.192  4.1144  5.200470       5.627749  
1 1 1 1   76  3  o 84.735  2.8162  3895.72    258.462  3629.92    367.595  4155.60    363.482  81.597  4.1733  87.446  3.8377  -5.849121      5.669632  
1 1 1 1   76  4  o 84.428  2.8262  3867.86    258.444  4131.30    374.313  3627.86    357.272  87.174  3.9644  81.684  4.0382  5.489861       5.658982  
1 1 1 1   76  5  o 163.079 3.4304  14445.95   605.918  14728.48   860.722  14168.39   853.123  164.422 4.8332  161.255 4.8846  3.166931       6.871607  
1 1 1 1   76  6  f 130.906 3.0894  9304.36    438.038  9777.70    629.920  8861.15    609.539  134.026 4.3394  127.579 4.4111  6.447136       6.187746  
1 1 1 1   76  7  o 194.902 3.8411  20659.33   810.851  20539.67   1148.26  20778.36   1145.18  193.917 5.4671  195.054 5.4206  -1.137619      7.698824  
1 1 1 1   76  8  f 137.635 3.1418  10289.53   468.360  11191.40   668.344  9419.23    656.537  143.352 4.3045  131.459 4.6110  11.89305       6.307987  
1 1 1 1   76  9  o 107.939 2.9882  6327.90    349.350  6454.95    496.508  6203.34    491.638  108.862 4.2110  106.712 4.2536  2.149025       5.985456  
1 1 1 1   76  10 o 117.177 3.0254  7459.88    383.962  7733.28    545.597  7191.62    540.449  119.121 4.2288  114.853 4.3445  4.267563       6.062791  
1 1 1 1   76  11 o 142.812 3.2513  11090.88   502.919  11476.76   718.881  10720.98   703.828  144.982 4.5780  140.112 4.6379  4.870087       6.516742  
1 1 1 1   76  12 o 62.341  3.3145  2120.33    222.996  2120.85    344.924  2119.96    292.297  62.022  5.1821  62.168  4.3687  -0.1465340     6.777915  
1 1 1 1   76  13 o 53.472  3.9879  1568.25    229.298  1590.45    358.285  1552.84    298.416  53.351  6.3234  52.958  5.2727  0.3931465      8.233313  
1 1 1 1   76  14 o 68.326  3.4640  2550.27    255.513  2317.20    395.037  2717.92    335.032  64.634  5.7014  70.355  4.4191  -5.720695      7.213481  
1 1 1 1   76  15 o 51.602  4.1015  1465.01    227.343  1209.05    360.527  1633.98    292.922  45.970  7.4996  54.308  5.0372  -8.338745      9.034233  
1 1 1 1   76  16 o 120.568 3.2958  7927.36    430.386  7428.04    633.479  8355.43    586.541  116.173 5.0345  123.450 4.3867  -7.277641      6.677538  
1 1 1 1   76  17 o 50.182  4.6774  1396.87    251.301  1313.18    385.009  1458.98    331.704  47.692  7.7170  50.873  6.1444  -3.180538      9.864360  
1 1 1 1   76  18 f 22.692  7.7408  274.218    228.169  478.112    448.122  202.859    265.106  29.994  10.801  21.649  8.2118  8.345503       13.56816  
1 1 1 1   76  19 o 105.309 3.1882  6062.93    363.649  5644.09    760.187  6187.21    414.103  99.555  7.0964  106.246 3.5985  -6.691689      7.956695  
1 1 1 1   76  20 o 106.067 3.2613  6169.00    374.665  5419.14    772.836  6399.38    428.370  96.701  7.4358  107.853 3.6670  -11.15234      8.290854  
1 1 1 1   76  21 o 34.004  5.9852  676.216    212.383  588.466    474.913  698.152    237.450  30.917  11.121  34.297  6.6320  -3.380096      12.94804  
1 1 1 1   76  22 o 20.451  1.6337  228.961    35.886   -513.4946  459.032  233.527    35.996   17.445  8.3757  20.657  1.6219  -3.211796      8.531323  
1 1 1 1   76  23 o 22.055  7.6591  278.996    223.732  204.837    470.349  300.682    254.350  24.357  10.314  22.936  8.1501  1.421509       13.14518  
1 1 1 1   76  24 o 64.128  5.6868  2397.34    390.889  0.0000     0.0000   2397.34    390.889  ?       ?       64.128  5.6868  0.000000       5.686766  
1 1 1 1   76  25 o 34.919  8.3099  794.600    309.744  0.0000     0.0000   794.600    309.744  ?       ?       34.919  8.3099  0.000000       8.309926  
1 1 1 1   76  26 o 23.159  8.8047  310.097    305.206  0.0000     0.0000   310.097    305.206  ?       ?       23.159  8.8047  0.000000       8.804715  
1 1 1 1   77  0  o 182.980 3.6641  18191.51   726.169  18651.35   1028.34  17734.13   1025.58  184.987 5.1325  180.354 5.2502  4.632645       7.342108  
1 1 1 1   77  1  o 106.492 2.8871  6154.06    333.001  6203.84    471.628  6104.56    470.245  106.813 4.0767  105.953 4.0977  0.8603058      5.780172  
1 1 1 1   77  2  o 83.648  2.8136  3796.76    254.911  3507.80    355.163  4103.76    366.083  80.210  4.1019  86.886  3.8901  -6.676735      5.653159  
1 1 1 1   77  3  o 62.637  2.9808  2129.57    202.227  2071.53    294.817  2181.14    277.916  61.534  4.4537  63.198  4.0819  -1.664886      6.041286  
1 1 1 1   77  4  o 63.238  2.9235  2170.61    200.243  2238.22    282.024  2101.88    284.362  64.018  4.0887  62.006  4.2600  2.011909       5.904698  
1 1 1 1   77  5  o 62.874  2.9176  2145.87    198.684  2109.41    286.309  2179.73    275.940  62.108  4.2823  63.171  4.0544  -1.062614      5.897156  
1 1 1 1   77  6  o 160.895 3.4098  14066.51   594.210  14323.03   847.902  13818.94   832.977  162.083 4.8299  159.205 4.8307  2.877899       6.831053  
1 1 1 1   77  7  o 102.857 2.9113  5744.05    324.337  5986.11    461.899  5508.62    455.530  104.874 4.0664  100.590 4.1811  4.283966       5.832418  
1 1 1 1   77  8  o 55.336  3.2095  1669.36    191.538  1762.89    283.773  1591.10    259.590  56.668  4.6649  53.845  4.4922  2.823063       6.476177  
1 1 1 1   77  9  o 69.956  3.0458  2658.86    230.779  2747.28    329.947  2574.17    322.907  70.865  4.3193  68.580  4.3700  2.285492       6.144382  
1 1 1 1   77  10 o 141.821 3.2401  10935.99   497.702  11142.22   710.462  10737.25   697.432  142.865 4.5914  140.245 4.5914  2.620255       6.493232  
1 1 1 1   77  11 o 123.109 3.1005  8239.90    413.417  8493.25    600.119  8011.08    570.336  124.731 4.4422  121.159 4.3461  3.571526       6.214636  
1 1 1 1   77  12 o 66.343  3.3560  2401.56    240.364  2420.66    364.728  2386.90    319.581  66.281  5.1202  65.944  4.5013  0.3375778      6.817522  
1 1 1 1   77  13 o 85.668  3.1455  3993.79    291.859  4295.67    441.848  3760.11    388.736  88.481  4.6266  82.831  4.3482  5.650154       6.349225  
1 1 1 1   77  14 o 105.981 3.1605  6115.85    362.795  5794.09    537.077  6385.90    492.018  102.786 4.8243  108.071 4.2034  -5.284966      6.398636  
1 1 1 1   77  15 o 90.352  2.8972  4443.54    283.526  4275.51    456.378  4549.16    361.820  88.113  4.8002  91.282  3.6596  -3.169151      6.036119  
1 1 1 1   77  16 o 94.603  3.2548  4881.73    333.503  5013.94    505.743  4779.99    443.626  95.319  4.9154  93.339  4.3882  1.980011       6.589165  
1 1 1 1   77  17 o 22.193  7.3359  267.494    205.057  208.103    324.797  306.856    264.416  23.080  9.0015  24.103  8.3289  -1.023411      12.26363  
1 1 1 1   77  18 o 56.892  4.5508  1794.15    278.073  1443.37    520.959  1933.90    328.836  48.794  10.187  58.875  5.2106  -10.08074      11.44186  
1 1 1 1   77  19 o 29.457  6.0587  503.649    186.852  619.344    462.706  481.107    204.246  32.345  11.023  28.621  6.7059  3.723953       12.90284  
1 1 1 1   77  20 o 65.037  3.6708  2337.81    257.522  2051.97    559.528  2414.63    290.071  57.951  9.2235  65.945  4.0812  -7.994125      10.08613  
1 1 1 1   77  21 o 14.277  2.8552  115.675    42.608   44.527     461.875  116.286    42.791   22.636  9.9036  14.315  2.8600  8.321012       10.30830  
1 1 1 1   77  22 o 39.329  5.9036  904.342    243.717  684.982    493.347  975.157    280.310  32.221  11.361  40.505  6.6180  -8.283463      13.14832  
1 1 1 1   77  23 o 33.632  7.7140  705.971    275.021  0.0000     0.0000   705.971    275.021  ?       ?       33.632  7.7140  0.000000       7.714013  
1 1 1 1   77  24 o 20.181  8.2561  157.443    286.822  0.0000     0.0000   157.443    286.822  ?       ?       20.181  8.2561  0.000000       8.256092  
1 1 1 1   77  25 o 45.076  7.5128  1271.16    353.880  0.0000     0.0000   1271.16    353.880  ?       ?       45.076  7.5128  0.000000       7.512799  
1 1 1 1   78  0  o 17.117  5.5889  153.922    119.155  216.986    175.015  99.434     162.681  20.419  6.7786  16.610  6.4004  3.808887       9.322799  
1 1 1 1   78  1  o 123.345 3.0219  8259.15    403.715  8202.61    571.287  8315.54    570.592  122.771 4.2962  123.618 4.2616  -0.8470688     6.051359  
1 1 1 1   78  2  o 66.238  2.8401  2381.19    203.754  2468.70    297.464  2303.84    279.663  67.241  4.1040  64.963  3.9940  2.277885       5.726698  
1 1 1 1   78  3  o 54.943  3.0713  1644.14    182.036  1644.97    260.159  1643.35    254.802  54.791  4.4215  54.777  4.3300  0.1420593E-01  6.188637  
1 1 1 1   78  4  o 147.597 3.2455  11832.87   518.829  11820.55   736.689  11844.99   730.817  147.296 4.6177  147.457 4.5759  -0.1601868     6.500879  
1 1 1 1   78  5  o 137.346 3.1627  10245.63   470.489  10103.41   670.127  10383.89   660.717  136.179 4.5434  138.078 4.4179  -1.899811      6.337221  
1 1 1 1   78  6  o 65.811  2.8973  2351.48    206.516  2568.30    305.309  2168.60    280.393  68.565  4.1305  62.983  4.1332  5.581795       5.843301  
1 1 1 1   78  7  o 61.148  3.0201  2030.90    200.024  2125.44    288.067  1942.88    277.957  62.316  4.2942  59.560  4.3386  2.756226       6.104362  
1 1 1 1   78  8  o 71.414  2.9576  2770.24    228.766  2648.10    334.818  2877.18    313.300  69.547  4.4686  72.580  4.0009  -3.033150      5.997918  
1 1 1 1   78  9  f 96.335  2.9090  5041.78    303.526  5333.74    437.359  4770.51    421.577  98.933  4.0816  93.553  4.1605  5.380608       5.828310  
1 1 1 1   78  10 o 154.045 3.3672  12909.05   561.800  12720.31   799.089  13093.52   790.001  152.550 4.8363  154.808 4.7116  -2.258179      6.751930  
1 1 1 1   78  11 o 117.206 3.0961  7470.05    393.041  7445.20    572.269  7492.24    540.758  116.739 4.5260  117.165 4.2612  -0.4263000     6.216337  
1 1 1 1   78  12 o 47.342  4.0436  1231.83    205.350  821.147    323.315  1509.53    265.861  37.669  8.1605  52.311  4.7440  -14.64227      9.439214  
1 1 1 1   78  13 o 67.387  3.4579  2480.86    251.531  2493.41    376.623  2470.75    337.947  67.187  5.2164  67.006  4.6861  0.1812134      7.012146  
1 1 1 1   78  14 o 44.478  4.4375  1093.94    210.920  724.825    345.655  1312.91    266.231  35.109  9.0366  48.609  5.1344  -13.50080      10.39341  
1 1 1 1   78  15 o 49.062  2.2656  1307.85    120.394  1137.49    361.664  1329.08    127.675  44.395  7.8064  49.450  2.3838  -5.055202      8.162231  
1 1 1 1   78  16 o 137.934 3.3815  10387.22   505.191  10489.60   737.187  10296.58   693.691  137.985 4.9326  136.826 4.6809  1.159607       6.800085  
1 1 1 1   78  17 o 94.133  3.3695  4840.71    343.545  4391.62    516.773  5196.35    459.879  88.909  5.3919  97.244  4.3663  -8.334946      6.938069  
1 1 1 1   78  18 o 53.493  4.7627  1593.18    273.055  1478.10    517.029  1637.69    321.555  49.333  10.018  53.971  5.5814  -4.637676      11.46804  
1 1 1 1   78  19 o 24.922  7.4019  364.392    214.346  64.330     460.284  447.482    242.212  23.381  10.060  27.411  7.7907  -4.029238      12.72373  
1 1 1 1   78  20 o 17.359  1.7431  165.530    32.331   -180.5415  451.267  167.315    32.415   20.177  9.2256  17.454  1.7378  2.722715       9.387862  
1 1 1 1   78  21 f 60.167  3.8768  2015.90    251.297  1584.20    547.061  2131.36    282.912  49.171  10.585  61.699  4.2596  -12.52822      11.41019  
1 1 1 1   78  22 o 48.785  4.4150  1344.24    230.760  1251.13    518.136  1367.28    257.732  42.726  11.097  48.963  4.9269  -6.236938      12.14174  
1 1 1 1   78  23 o 57.096  5.0432  1869.41    308.675  0.0000     0.0000   1869.41    308.675  ?       ?       57.096  5.0432  0.000000       5.043237  
1 1 1 1   78  24 o 57.657  5.7554  1950.69    354.615  0.0000     0.0000   1950.69    354.615  ?       ?       57.657  5.7554  0.000000       5.755446  
1 1 1 1   78  25 o 18.969  8.2338  55.613     313.900  0.0000     0.0000   55.613     313.900  ?       ?       18.969  8.2338  0.000000       8.233764  
1 1 1 1   79  0  o 66.031  2.9105  2366.81    208.156  2551.15    289.138  2168.47    299.913  68.377  3.9205  62.953  4.4267  5.424202       5.913230  
1 1 1 1   79  1  o 14.640  5.5436  83.606     120.684  80.342     169.259  86.982     172.122  16.329  6.4586  16.599  6.5296  -0.2693653     9.184204  
1 1 1 1   79  2  o 57.013  2.9963  1769.67    184.380  1685.18    259.412  1855.94    262.115  55.465  4.3531  58.248  4.1825  -2.782856      6.036804  
1 1 1 1   79  3  o 121.769 2.9951  8050.77    395.014  8079.33    563.418  8023.17    553.971  121.821 4.2701  121.406 4.2129  0.4156799      5.998491  
1 1 1 1   79  4  f 70.684  2.8760  2712.42    220.180  2406.52    321.654  2982.13    302.034  66.311  4.5053  73.953  3.7834  -7.642731      5.883164  
1 1 1 1   79  5  o 94.378  2.8621  4835.99    292.567  4865.52    412.289  4806.04    415.230  94.548  4.0261  93.962  4.0801  0.5860901      5.732016  
1 1 1 1   79  6  o 46.361  3.3333  1174.16    166.257  1299.52    251.643  1077.06    221.481  48.564  4.8489  44.193  4.6992  4.370426       6.752388  
1 1 1 1   79  7  o 174.098 3.5403  16486.03   667.591  17395.37   951.011  15602.59   937.370  178.476 4.9197  168.970 5.1219  9.506012       7.101906  
1 1 1 1   79  8  o 166.343 3.4946  15052.80   629.611  15056.97   895.456  15048.72   885.438  165.979 4.9810  165.950 4.9262  0.2886963E-01  7.005576  
1 1 1 1   79  9  o 37.614  2.1590  770.120    87.588   1498.58    257.747  675.015    93.131   52.189  4.6071  35.178  2.4598  17.01130       5.222594  
1 1 1 1   79  10 o 50.057  3.4892  1370.43    187.990  1128.15    278.109  1574.28    255.096  44.959  5.8497  53.516  4.4411  -8.556297      7.344582  
1 1 1 1   79  11 o 101.736 3.0213  5628.48    332.916  6138.86    493.893  5203.48    450.695  106.023 4.3009  97.620  4.2626  8.403862       6.055386  
1 1 1 1   79  12 o 80.968  3.1345  3567.77    274.887  3819.54    414.510  3370.13    367.261  83.417  4.6057  78.401  4.3419  5.016266       6.329689  
1 1 1 1   79  13 o 59.504  3.5962  1938.15    230.687  1729.99    358.007  2085.94    301.663  55.655  6.0358  61.547  4.5577  -5.891708      7.563300  
1 1 1 1   79  14 o 66.426  3.4949  2413.75    250.559  2373.86    394.270  2440.77    324.516  65.357  5.6245  66.574  4.5274  -1.217117      7.220291  
1 1 1 1   79  15 f 87.773  2.8963  4195.75    275.344  4065.85    470.065  4263.60    339.727  85.760  5.0833  88.355  3.5500  -2.594582      6.200191  
1 1 1 1   79  16 f 73.440  3.3844  2945.27    269.211  2818.76    439.933  3021.01    340.383  71.072  5.7647  74.082  4.2601  -3.009926      7.167969  
1 1 1 1   79  17 o 45.695  4.9045  1165.64    238.942  1199.91    387.074  1144.53    303.717  45.236  8.2023  44.800  6.4448  0.4359894      10.43137  
1 1 1 1   79  18 o 29.881  7.8365  531.220    256.755  384.213    463.547  596.282    308.382  28.235  10.823  31.495  8.7348  -3.259760      13.90812  
1 1 1 1   79  19 o ?       ?       -369.9996  30.988   183.908    453.674  -372.5960  31.061   24.669  10.266  ?       ?       0.000000       10.26571  
1 1 1 1   79  20 o 11.197  2.7586  71.380     33.236   -179.3458  458.391  72.705     33.324   20.271  9.2795  11.299  2.7491  8.971384       9.678119  
1 1 1 1   79  21 o 51.400  4.4104  1486.78    243.152  1172.08    525.518  1572.50    274.276  41.454  11.365  52.661  4.8637  -11.20631      12.36204  
1 1 1 1   79  22 o 28.790  6.8095  504.659    209.009  470.941    479.722  512.559    232.207  28.351  10.972  28.796  7.4039  -0.4452229     13.23666  
1 1 1 1   79  23 o 30.528  8.6081  603.632    296.920  0.0000     0.0000   603.632    296.920  ?       ?       30.528  8.6081  0.000000       8.608138  
1 1 1 1   79  24 o 22.814  8.9570  272.577    323.296  0.0000     0.0000   272.577    323.296  ?       ?       22.814  8.9570  0.000000       8.957008  
1 1 1 1   79  25 o 18.226  8.0737  -1.9834    315.908  0.0000     0.0000   -1.9834    315.908  ?       ?       18.226  8.0737  0.000000       8.073691  
1 1 1 1   80  0  o 71.531  2.7933  2777.39    216.410  2613.67    310.207  2932.61    302.056  69.171  4.1599  73.332  3.8162  -4.160744      5.645165  
1 1 1 1   80  1  o 71.334  2.9132  2762.70    225.081  2670.41    318.201  2855.12    318.424  69.910  4.2222  72.316  4.0821  -2.406136      5.872808  
1 1 1 1   80  2  o 125.394 3.0465  8539.08    413.762  8740.21    589.548  8343.84    580.844  126.686 4.2965  123.775 4.3327  2.911758       6.101844  
1 1 1 1   80  3  o 156.703 3.3727  13345.18   572.426  13763.51   814.428  12936.76   804.725  158.869 4.7331  154.003 4.8245  4.866150       6.758503  
1 1 1 1   80  4  o 47.611  3.3023  1237.74    169.242  1169.80    239.084  1305.98    239.605  46.052  4.8671  48.731  4.5938  -2.679867      6.692637  
1 1 1 1   80  5  o 50.586  3.2406  1396.32    176.618  1326.26    246.915  1469.73    252.737  49.087  4.7018  51.720  4.5583  -2.633083      6.548651  
1 1 1 1   80  6  o 68.339  2.8999  2536.67    214.648  2568.35    316.592  2509.71    292.011  68.513  4.2879  67.769  3.9960  0.7439499      5.861262  
1 1 1 1   80  7  o 53.363  3.2367  1553.73    186.186  1496.59    285.414  1596.06    245.652  52.071  5.1271  53.945  4.2385  -1.873665      6.652223  
1 1 1 1   80  8  o 53.563  3.2810  1566.00    189.427  1608.74    283.239  1531.41    254.793  54.038  4.8924  52.783  4.4998  1.254757       6.647067  
1 1 1 1   80  9  o 49.387  3.4702  1333.89    184.444  1458.47    274.987  1232.01    248.680  51.395  5.0034  47.210  4.9363  4.184452       7.028599  
1 1 1 1   80  10 o 105.742 3.0058  6079.56    344.253  5750.25    489.916  6400.74    483.836  102.602 4.4085  108.308 4.1245  -5.705727      6.037082  
1 1 1 1   80  11 o 75.967  3.1896  3140.71    262.440  3090.02    396.032  3180.40    350.430  74.946  4.9058  76.183  4.2641  -1.236252      6.499950  
1 1 1 1   80  12 o 50.916  2.1558  1407.40    118.887  1345.45    307.374  1418.30    128.921  49.059  5.9032  51.102  2.3293  -2.043365      6.346130  
1 1 1 1   80  13 o 65.691  3.4298  2359.21    243.185  2542.07    376.618  2228.46    318.478  67.802  5.1674  63.585  4.6568  4.216793       6.956152  
1 1 1 1   80  14 o 45.031  4.3919  1121.84    211.481  869.861    344.557  1274.14    267.874  38.508  8.4897  47.810  5.2599  -9.302921      9.987058  
1 1 1 1   80  15 o 40.089  4.5815  894.055    195.360  719.869    354.422  970.074    234.141  34.810  9.2447  41.597  5.3187  -6.787327      10.66548  
1 1 1 1   80  16 o 92.696  3.0283  4685.90    304.040  4502.63    506.255  4789.29    380.253  90.113  5.2091  93.539  3.7533  -3.425888      6.420444  
1 1 1 1   80  17 o 124.815 3.3465  8520.94    452.408  8519.18    663.249  8522.47    618.678  124.084 4.9350  124.283 4.5960  -0.1992493     6.743727  
1 1 1 1   80  18 f 46.178  2.4529  1165.72    122.245  1038.27    504.778  1173.66    125.995  40.352  11.170  46.323  2.5207  -5.971096      11.45049  
1 1 1 1   80  19 o 54.182  2.3869  1602.40    140.073  1630.13    524.510  1600.27    145.352  50.948  9.8615  54.129  2.4792  -3.181286      10.16839  
1 1 1 1   80  20 o 25.366  7.2278  387.887    208.203  625.742    474.795  331.260    231.664  31.497  11.141  23.779  7.7943  7.718405       13.59714  
1 1 1 1   80  21 o 23.670  7.7538  332.245    229.276  341.151    473.666  329.519    262.016  26.529  10.699  23.857  8.2883  2.672348       13.53381  
1 1 1 1   80  22 o 20.448  7.7962  206.074    239.717  0.0000     0.0000   206.074    239.717  ?       ?       20.448  7.7962  0.000000       7.796166  
1 1 1 1   80  23 o 50.261  6.1154  1494.50    326.050  0.0000     0.0000   1494.50    326.050  ?       ?       50.261  6.1154  0.000000       6.115419  
1 1 1 1   80  24 o 21.918  8.5916  243.678    297.040  0.0000     0.0000   243.678    297.040  ?       ?       21.918  8.5916  0.000000       8.591647  
1 1 1 1   81  0  o 218.723 4.1590  26050.64   985.276  26142.71   1393.70  25958.64   1393.08  218.508 5.8889  217.730 5.9073  0.7780457      8.341140  
1 1 1 1   81  1  o 57.695  2.9123  1812.15    181.401  2039.22    261.871  1602.67    251.521  61.081  3.9800  54.068  4.3314  7.013561       5.882328  
1 1 1 1   81  2  o 27.099  4.7997  412.365    135.717  503.034    194.074  325.589    189.861  29.750  6.2230  24.057  6.9172  5.692480       9.304538  
1 1 1 1   81  3  o 64.462  2.9288  2256.77    204.486  2403.44    291.391  2114.45    287.031  66.312  4.0768  62.150  4.2903  4.162441       5.918377  
1 1 1 1   81  4  o 79.146  2.8460  3401.82    243.971  3323.53    345.359  3479.82    344.697  78.007  4.1020  79.941  3.9810  -1.934731      5.716226  
1 1 1 1   81  5  o 150.386 3.2995  12295.58   537.442  12260.02   760.143  12331.13   759.971  149.873 4.6828  150.310 4.6681  -0.4376831     6.612058  
1 1 1 1   81  6  o 66.816  2.9590  2425.53    214.137  2633.94    324.157  2264.17    285.233  69.365  4.3364  64.329  4.1154  5.036751       5.978333  
1 1 1 1   81  7  o 103.306 2.9069  5798.41    325.256  6156.16    473.129  5477.84    447.873  106.272 4.1105  100.244 4.1250  6.027908       5.823377  
1 1 1 1   81  8  o 53.581  3.2902  1567.45    190.016  1710.08    284.638  1452.79    255.212  55.738  4.7606  51.365  4.6374  4.373245       6.645939  
1 1 1 1   81  9  o 30.656  5.1830  528.628    165.958  596.755    241.131  467.314    228.758  32.237  7.0981  28.508  7.3586  3.728756       10.22406  
1 1 1 1   81  10 o 29.397  5.4169  488.960    166.118  398.910    268.417  544.860    211.484  26.741  8.3523  30.850  6.5327  -4.108307      10.60363  
1 1 1 1   81  11 o 76.690  3.1835  3201.73    264.435  3332.35    400.822  3101.06    351.876  77.845  4.7770  75.186  4.3394  2.659027       6.453675  
1 1 1 1   81  12 o 104.269 2.9987  5917.45    338.656  5941.49    518.417  5899.56    447.282  104.128 4.5966  103.914 3.9741  0.2143250      6.076375  
1 1 1 1   81  13 o 83.323  3.2653  3784.33    294.681  3627.83    435.922  3916.03    399.890  81.086  4.9877  84.430  4.3881  -3.343979      6.643239  
1 1 1 1   81  14 o 45.625  4.5296  1153.59    220.878  1132.26    338.276  1169.45    291.627  44.423  7.2831  45.541  6.0629  -1.118652      9.476435  
1 1 1 1   81  15 o 29.415  6.8113  502.508    212.732  220.285    344.799  675.966    270.313  23.755  9.2718  34.024  7.5339  -10.26940      11.94683  
1 1 1 1   81  16 o 19.676  1.2949  210.850    27.442   -262.8606  377.600  213.365    27.515   17.916  8.2809  19.794  1.2905  -1.877913      8.380885  
1 1 1 1   81  17 o 26.345  1.6010  378.201    45.467   162.752    390.508  381.162    45.778   23.463  9.6202  26.448  1.6057  -2.985336      9.753247  
1 1 1 1   81  18 o 31.234  1.9891  533.026    66.940   540.210    481.088  532.885    67.598   30.627  11.167  31.227  2.0093  -0.6003838     11.34601  
1 1 1 1   81  19 o 63.640  2.7276  2217.36    188.012  1373.02    559.170  2324.98    199.635  45.402  11.390  65.139  2.8296  -19.73732      11.73646  
1 1 1 1   81  20 o 54.921  4.1489  1687.16    244.976  1441.92    537.146  1751.57    275.271  46.700  10.830  55.765  4.5985  -9.065636      11.76578  
1 1 1 1   81  21 o 16.852  7.0262  65.079     213.098  -514.7300  466.362  218.083    239.570  17.559  8.4335  20.829  7.8276  -3.270159      11.50634  
1 1 1 1   81  22 o 34.509  7.0096  727.802    253.056  0.0000     0.0000   727.802    253.056  ?       ?       34.509  7.0096  0.000000       7.009628  
1 1 1 1   81  23 o 34.121  8.1447  746.526    296.825  0.0000     0.0000   746.526    296.825  ?       ?       34.121  8.1447  0.000000       8.144684  
1 1 1 1   81  24 o 35.801  8.3416  830.096    317.460  0.0000     0.0000   830.096    317.460  ?       ?       35.801  8.3416  0.000000       8.341590  
1 1 1 1   82  0  o 135.046 3.1119  9909.45    455.177  10223.90   647.259  9601.79    640.233  136.952 4.3636  132.701 4.4544  4.250275       6.235596  
1 1 1 1   82  1  o 25.963  5.3534  381.963    145.538  498.987    204.287  261.356    207.391  29.571  6.5508  22.279  7.3782  7.292263       9.866593  
1 1 1 1   82  2  o 50.305  3.1916  1380.82    172.996  1327.16    261.415  1422.63    230.751  49.043  4.9908  50.923  4.2217  -1.879711      6.536938  
1 1 1 1   82  3  o 95.493  2.8387  4952.63    293.610  4842.87    420.233  5057.33    410.396  94.280  4.1153  96.371  3.9318  -2.090195      5.691597  
1 1 1 1   82  4  o 206.495 3.9968  23226.44   893.913  23068.24   1265.49  23383.99   1262.88  205.179 5.6945  206.600 5.6437  -1.420868      8.017365  
1 1 1 1   82  5  o 137.956 3.1910  10346.09   476.803  9773.54    676.610  10910.89   672.015  133.795 4.6691  141.432 4.3869  -7.637863      6.406651  
1 1 1 1   82  6  o 57.883  3.1767  1827.00    198.399  1724.03    294.749  1912.30    268.272  55.950  4.9136  59.071  4.2209  -3.120480      6.477600  
1 1 1 1   82  7  o 144.042 3.2343  11284.26   504.589  11569.97   722.395  11012.06   705.112  145.542 4.5827  141.988 4.5850  3.552963       6.482484  
1 1 1 1   82  8  o 213.600 4.1047  24890.07   949.635  24967.30   1347.23  24813.80   1338.79  213.137 5.8359  212.491 5.8170  0.6461029      8.239895  
1 1 1 1   82  9  o 100.086 2.9915  5447.52    324.293  5259.43    461.911  5630.34    455.398  98.116  4.3466  101.558 4.1401  -3.442017      6.002729  
1 1 1 1   82  10 o 90.844  3.0822  4490.59    303.266  4140.14    438.959  4810.61    419.471  86.834  4.6846  93.848  4.1267  -7.013649      6.243022  
1 1 1 1   82  11 o 174.114 3.6623  16537.81   690.660  16266.15   984.486  16801.09   969.176  172.003 5.2845  174.891 5.1164  -2.887634      7.355499  
1 1 1 1   82  12 o 117.377 3.1549  7504.89    401.086  7479.37    590.730  7526.72    546.314  116.773 4.6706  117.255 4.3017  -0.4817963     6.349751  
1 1 1 1   82  13 o 64.295  3.5192  2263.22    244.143  2219.64    379.692  2293.94    318.781  63.147  5.6099  64.488  4.5940  -1.340675      7.250892  
1 1 1 1   82  14 o 92.582  3.1708  4674.02    317.953  5070.08    475.988  4354.90    427.255  96.067  4.5746  89.074  4.4286  6.993240       6.367038  
1 1 1 1   82  15 o 44.308  4.8159  1094.10    227.396  1008.49    409.128  1132.37    273.539  41.047  9.4043  44.819  5.7689  -3.771530      11.03271  
1 1 1 1   82  16 o 151.586 3.7056  12596.47   608.400  12292.85   862.148  12897.65   858.678  148.773 5.3504  152.495 5.1988  -3.722031      7.460182  
1 1 1 1   82  17 o 132.824 3.5628  9687.98    512.558  9493.77    741.916  9865.30    708.941  130.434 5.2516  133.207 4.9137  -2.772797      7.191966  
1 1 1 1   82  18 o 101.499 3.5288  5673.72    387.937  5775.77    752.158  5636.74    452.811  99.798  7.0029  100.849 4.1455  -1.050980      8.137868  
1 1 1 1   82  19 o 59.986  3.8983  2001.01    251.902  1717.61    554.098  2074.83    282.818  51.800  10.239  60.910  4.3149  -9.109768      11.11103  
1 1 1 1   82  20 o 18.422  7.3065  131.226    217.171  166.102    468.422  121.677    245.105  24.148  10.262  18.917  7.6727  5.231079       12.81329  
1 1 1 1   82  21 o 43.843  4.9959  1101.21    233.001  1281.50    516.674  1055.19    261.053  43.246  11.004  42.502  5.8241  0.7442513      12.44994  
1 1 1 1   82  22 o 34.078  8.0679  736.348    293.178  0.0000     0.0000   736.348    293.178  ?       ?       34.078  8.0679  0.000000       8.067923  
1 1 1 1   82  23 o 22.602  8.8252  263.478    312.476  0.0000     0.0000   263.478    312.476  ?       ?       22.602  8.8252  0.000000       8.825205  
1 1 1 1   83  0  o 78.558  2.8051  3351.61    238.675  3330.92    337.911  3372.22    337.166  78.099  4.0082  78.588  3.9740  -0.4890976     5.644365  
1 1 1 1   83  1  o 102.169 2.8524  5669.64    315.642  5302.64    449.458  6026.77    443.374  98.636  4.2071  105.204 3.8911  -6.568024      5.730633  
1 1 1 1   83  2  o 53.991  3.1114  1589.43    181.175  1594.78    261.049  1584.46    251.649  53.880  4.5149  53.730  4.3619  0.1504822      6.277731  
1 1 1 1   83  3  o 46.255  3.3661  1169.62    167.479  1077.99    239.448  1257.39    234.337  44.116  5.1056  47.784  4.5841  -3.668060      6.861555  
1 1 1 1   83  4  o 135.292 3.1545  9950.32    462.245  9764.93    660.085  10128.71   647.523  133.750 4.5566  136.258 4.3876  -2.507706      6.325579  
1 1 1 1   83  5  o 71.943  2.9423  2812.58    229.272  2918.59    329.323  2712.87    319.385  73.042  4.1801  70.407  4.2075  2.634766       5.930922  
1 1 1 1   83  6  o 125.864 3.0568  8612.23    416.720  8997.76    595.303  8241.78    583.536  128.414 4.2801  122.879 4.3845  5.535660       6.127249  
1 1 1 1   83  7  o 144.175 3.2408  11308.72   506.076  11711.78   724.810  10925.31   706.924  146.391 4.5713  141.377 4.6166  5.013367       6.496920  
1 1 1 1   83  8  o 101.224 2.9508  5571.31    323.508  5648.38    468.075  5500.83    447.629  101.701 4.2493  100.390 4.1168  1.311432       5.916461  
1 1 1 1   83  9  o 17.134  6.3403  127.951    155.986  -323.1211  255.061  397.455    197.153  13.377  6.3735  26.303  6.8520  -12.92590      9.357944  
1 1 1 1   83  10 o 37.716  4.7315  791.310    189.028  343.912    285.981  1138.43    251.902  25.498  8.6663  45.230  5.2391  -19.73176      10.12684  
1 1 1 1   83  11 o 62.913  3.3916  2163.69    230.252  2164.98    345.075  2162.65    309.133  62.556  5.1384  62.656  4.5871  -0.1000175     6.888015  
1 1 1 1   83  12 o 109.713 3.1831  6559.86    378.244  6603.12    550.454  6521.17    520.627  109.688 4.6333  109.075 4.4069  0.6138763      6.394389  
1 1 1 1   83  13 o 49.402  4.1090  1345.46    217.866  1448.77    350.255  1280.27    278.245  50.622  6.5412  47.855  5.4663  2.766876       8.524565  
1 1 1 1   83  14 o 148.045 3.4525  11971.70   553.608  11128.59   797.709  12755.06   768.924  141.975 5.1876  152.276 4.6621  -10.30127      6.974655  
1 1 1 1   83  15 o 60.465  4.0865  2016.10    266.051  1886.74    429.471  2096.66    338.915  57.478  7.0462  61.349  5.1481  -3.871120      8.726508  
1 1 1 1   83  16 o 70.099  2.8647  2682.92    217.500  2642.00    468.406  2694.17    245.581  68.194  6.4172  70.168  3.2314  -1.973747      7.184826  
1 1 1 1   83  17 o 75.378  2.9362  3109.69    239.721  2753.34    484.796  3225.02    275.798  69.245  6.5415  76.651  3.3220  -7.406311      7.336709  
1 1 1 1   83  18 f 46.728  2.5703  1197.20    129.587  1273.99    525.361  1192.22    133.719  44.029  11.038  46.610  2.6598  -2.581188      11.35352  
1 1 1 1   83  19 o 23.529  7.3342  327.615    207.088  137.133    481.502  370.846    229.387  24.162  10.339  24.886  7.7127  -0.7249317     12.89900  
1 1 1 1   83  20 o 16.118  6.7928  43.464     202.499  -124.1785  467.815  82.118     224.635  20.831  9.4735  17.557  7.2580  3.273411       11.93425  
1 1 1 1   83  21 o 25.602  7.8760  404.977    239.704  481.692    485.903  380.303    275.569  28.470  11.036  25.054  8.5071  3.415869       13.93425  
1 1 1 1   83  22 o 14.051  6.7224  -325.1317  289.898  0.0000     0.0000   -325.1317  289.898  ?       ?       14.051  6.7224  0.000000       6.722375  
1 1 1 1   83  23 o 21.291  8.6470  193.299    311.740  0.0000     0.0000   193.299    311.740  ?       ?       21.291  8.6470  0.000000       8.646969  
1 1 1 1   84  0  o 142.791 3.2076  11085.14   496.086  10871.96   704.701  11294.57   698.482  141.117 4.6106  143.865 4.4826  -2.748276      6.430478  
1 1 1 1   84  1  o 66.337  2.9499  2391.12    211.948  2205.34    304.231  2566.33    295.442  63.420  4.4573  68.515  3.9986  -5.094563      5.988026  
1 1 1 1   84  2  o 115.420 2.9511  7238.85    368.927  7186.82    527.623  7288.63    516.053  114.798 4.2434  115.632 4.1205  -0.8331985     5.914823  
1 1 1 1   84  3  o 127.274 3.0733  8805.20    423.656  8883.47    601.042  8727.92    597.255  127.601 4.3489  126.477 4.3599  1.124428       6.158067  
1 1 1 1   84  4  f 42.039  3.4785  968.238    156.960  866.047    228.945  1058.87    215.605  39.379  5.5194  43.793  4.6150  -4.414196      7.194581  
1 1 1 1   84  5  o 29.057  4.7499  473.279    144.322  458.468    203.146  488.371    205.072  28.272  6.7309  29.195  6.6357  -0.9229412     9.451798  
1 1 1 1   84  6  o 90.430  2.6925  4442.83    263.714  4609.34    354.483  4236.47    394.634  92.000  3.5574  88.114  4.1350  3.885735       5.454721  
1 1 1 1   84  7  o 78.025  2.8669  3309.49    242.282  3543.65    353.553  3102.17    332.675  80.482  4.0691  75.283  4.0953  5.198586       5.773136  
1 1 1 1   84  8  o 174.739 3.6195  16643.07   685.028  16799.08   971.391  16488.74   966.182  174.990 5.1252  173.357 5.1457  1.632813       7.262670  
1 1 1 1   84  9  o 69.375  3.2333  2620.77    242.949  2382.06    354.554  2832.06    333.568  65.703  5.0203  71.840  4.3068  -6.137207      6.614511  
1 1 1 1   84  10 o 74.344  3.2678  3011.09    263.134  2737.39    377.540  3269.65    366.941  70.440  4.9806  77.161  4.4089  -6.720741      6.651694  
1 1 1 1   84  11 o 34.767  5.0641  678.021    185.096  502.724    287.216  802.538    242.067  29.464  8.5183  37.610  6.1554  -8.145988      10.50955  
1 1 1 1   84  12 o 77.631  3.2695  3286.32    274.906  3112.13    418.170  3418.89    364.819  74.988  5.1804  78.874  4.2865  -3.886414      6.723898  
1 1 1 1   84  13 o 60.323  3.7971  1997.85    246.821  2054.58    375.721  1954.78    327.369  60.640  5.7909  59.330  5.1454  1.310390       7.746578  
1 1 1 1   84  14 o 72.347  3.6812  2871.86    287.502  2692.46    437.985  3007.69    381.103  69.345  5.8871  73.713  4.7996  -4.368042      7.595631  
1 1 1 1   84  15 o 22.159  7.4970  265.190    214.003  39.906     350.661  398.894    270.145  20.748  8.8495  26.370  8.3979  -5.621481      12.19994  
1 1 1 1   84  16 o 95.400  3.1639  4983.77    326.922  4726.77    552.203  5122.46    405.654  91.690  5.5871  96.449  3.8832  -4.759239      6.804020  
1 1 1 1   84  17 o 25.033  1.5475  341.735    41.752   423.084    398.233  340.831    41.983   27.603  10.145  24.998  1.5583  2.605169       10.26414  
1 1 1 1   84  18 o 19.183  7.8290  113.940    257.128  408.038    477.045  -6.4893    305.267  28.003  10.913  18.471  8.0671  9.532312       13.57066  
1 1 1 1   84  19 o 18.611  7.3346  138.143    217.552  -142.7417  477.341  211.784    244.412  20.954  9.5448  20.874  7.8928  0.7916451E-01  12.38547  
1 1 1 1   84  20 o 16.559  6.8909  63.845     204.414  -155.2877  474.325  113.826    226.530  20.593  9.4316  18.219  7.3809  2.374338       11.97631  
1 1 1 1   84  21 o 30.353  7.5877  575.193    248.774  0.0000     0.0000   575.193    248.774  ?       ?       30.353  7.5877  0.000000       7.587702  
1 1 1 1   84  22 o 32.286  8.3441  670.994    293.897  0.0000     0.0000   670.994    293.897  ?       ?       32.286  8.3441  0.000000       8.344123  
1 1 1 1   85  0  o 80.212  2.8170  3495.54    244.732  3595.75    356.255  3405.99    336.773  81.214  4.0500  79.057  3.9330  2.157143       5.645477  
1 1 1 1   85  1  o 55.666  3.0356  1689.42    182.330  1719.93    256.694  1658.34    259.030  55.989  4.2651  54.950  4.3889  1.038616       6.119867  
1 1 1 1   85  2  o 106.030 2.8781  6109.28    330.529  6473.97    474.390  5765.20    460.784  108.972 4.0193  102.813 4.1379  6.158478       5.768602  
1 1 1 1   85  3  o 48.453  3.5463  1284.88    184.813  1371.75    263.308  1200.53    259.465  49.835  4.9434  46.530  5.2396  3.304756       7.203543  
1 1 1 1   85  4  o 81.859  2.8929  3642.11    256.487  3508.84    358.312  3782.16    367.311  80.090  4.1448  83.270  4.0726  -3.180016      5.810833  
1 1 1 1   85  5  o 62.086  2.9428  2095.67    197.893  2009.12    284.611  2176.67    275.346  60.495  4.3732  63.037  4.0543  -2.542099      5.963402  
1 1 1 1   85  6  o 94.745  2.8996  4880.50    297.551  4625.94    422.922  5130.01    418.711  92.034  4.2427  96.966  3.9868  -4.932312      5.821944  
1 1 1 1   85  7  o 157.892 3.4068  13578.81   582.611  13414.04   829.305  13739.38   818.671  156.453 4.8940  158.385 4.7723  -1.931763      6.835597  
1 1 1 1   85  8  o 163.519 3.5131  14573.73   622.191  14414.27   885.988  14728.89   873.957  162.070 5.0472  163.882 4.9237  -1.811310      7.051050  
1 1 1 1   85  9  f 97.856  3.0341  5212.19    321.580  4977.50    462.632  5431.60    447.319  95.343  4.4800  99.676  4.1434  -4.333290      6.102282  
1 1 1 1   85  10 o 54.576  3.8342  1634.97    225.211  1526.21    324.337  1736.23    312.960  52.256  5.8298  55.936  5.2262  -3.680012      7.829392  
1 1 1 1   85  11 o 33.355  5.5016  629.243    191.826  320.348    316.322  808.914    241.248  25.318  9.0791  37.760  6.1074  -12.44186      10.94210  
1 1 1 1   85  12 o 15.178  6.3841  22.105     178.281  97.018     304.297  -17.0487   219.991  20.632  8.4795  15.993  6.9176  4.638248       10.94328  
1 1 1 1   85  13 o 41.873  4.9222  979.161    218.975  901.325    354.418  1027.22    278.487  39.041  8.6127  42.531  6.2301  -3.490494      10.62982  
1 1 1 1   85  14 o 21.819  7.3233  257.088    204.188  227.901    343.321  273.062    253.992  23.729  9.2546  23.026  8.1484  0.7027321      12.33066  
1 1 1 1   85  15 o 45.860  4.7945  1177.62    234.630  1146.23    365.530  1199.61    305.986  44.036  7.9567  45.746  6.3465  -1.710766      10.17781  
1 1 1 1   85  16 o 28.147  1.6919  432.105    51.341   505.249    383.841  430.772    51.806   29.251  10.039  28.101  1.7103  1.149599       10.18376  
1 1 1 1   85  17 o 51.453  2.5454  1446.68    141.852  1443.37    435.850  1447.07    150.019  48.670  8.5818  51.361  2.7063  -2.691277      8.998366  
1 1 1 1   85  18 o 77.865  3.8928  3358.53    328.302  3346.15    482.234  3369.24    448.208  76.452  5.8685  77.030  5.4064  -0.5775223     7.979257  
1 1 1 1   85  19 o 38.945  5.7637  881.875    235.777  989.049    511.888  853.015    265.633  38.034  11.471  37.842  6.7274  0.1911926      13.29836  
1 1 1 1   85  20 o 17.784  7.2792  98.539     223.089  176.404    479.872  77.070     251.974  24.220  10.342  18.141  7.6077  6.079199       12.83866  
1 1 1 1   85  21 o 26.512  8.6073  441.938    282.764  0.0000     0.0000   441.938    282.764  ?       ?       26.512  8.6073  0.000000       8.607287  
1 1 1 1   85  22 f 25.683  8.6873  411.505    287.353  0.0000     0.0000   411.505    287.353  ?       ?       25.683  8.6873  0.000000       8.687301  
1 1 1 1   86  0  o 105.317 2.9203  6028.97    333.119  5686.21    467.993  6381.00    474.273  102.072 4.2331  108.164 4.0483  -6.092003      5.857323  
1 1 1 1   86  1  o 31.266  4.3253  543.583    142.548  473.927    199.913  615.630    203.317  28.757  6.5630  32.988  5.9074  -4.230600      8.830112  
1 1 1 1   86  2  o 65.461  2.9522  2329.53    209.315  2352.83    300.387  2307.53    291.831  65.517  4.2561  64.896  4.1740  0.6215820      5.961311  
1 1 1 1   86  3  o 120.182 3.0148  7853.97    392.440  7540.07    559.555  8157.84    550.544  117.487 4.3973  122.261 4.1575  -4.774048      6.051529  
1 1 1 1   86  4  o 51.991  3.3270  1477.26    186.363  1479.63    271.694  1475.14    256.110  51.759  4.9051  51.736  4.6190  0.2211761E-01  6.737579  
1 1 1 1   86  5  o 85.020  2.8677  3930.08    264.069  3835.25    385.069  4014.28    362.824  83.682  4.2626  85.781  3.9051  -2.098663      5.780977  
1 1 1 1   86  6  o 31.807  4.6455  565.058    155.319  794.429    235.199  387.677    206.833  37.524  5.9883  26.009  7.1297  11.51494       9.310870  
1 1 1 1   86  7  o 28.576  5.0021  460.605    149.179  532.133    239.639  415.348    190.617  30.331  7.3676  26.868  6.5984  3.463430       9.890383  
1 1 1 1   86  8  o 86.739  3.0575  4095.51    287.250  3973.82    402.369  4222.00    410.211  85.103  4.3801  87.846  4.3114  -2.743561      6.146001  
1 1 1 1   86  9  o 46.046  4.0505  1168.00    199.954  1191.08    297.120  1148.89    270.330  46.019  6.1123  45.311  5.6297  0.7079620      8.309852  
1 1 1 1   86  10 o 37.154  4.9166  771.330    192.992  1021.81    293.779  581.166    255.974  42.404  6.6121  31.594  7.5778  10.81026       10.05702  
1 1 1 1   86  11 o 144.883 3.4933  11458.01   548.174  11271.32   766.026  11653.95   784.785  143.134 4.9412  145.526 4.9790  -2.391739      7.014656  
1 1 1 1   86  12 o 109.879 3.2295  6587.39    384.345  6318.64    567.847  6814.60    522.120  107.098 4.8953  111.429 4.3262  -4.330650      6.532969  
1 1 1 1   86  13 o 81.919  3.3412  3667.09    296.457  4065.35    453.565  3370.04    391.710  85.678  4.9081  78.072  4.6535  7.605698       6.763442  
1 1 1 1   86  14 o 80.893  3.4384  3584.11    301.261  3264.91    465.904  3813.47    394.933  76.279  5.6800  83.032  4.4072  -6.753311      7.189282  
1 1 1 1   86  15 o 92.464  3.3669  4690.63    337.188  4427.21    523.557  4877.34    440.769  88.743  5.4737  93.889  4.3344  -5.145599      6.982032  
1 1 1 1   86  16 o 70.997  2.8454  2759.21    218.805  2908.69    452.161  2713.51    250.029  71.441  5.8962  70.282  3.2846  1.158623       6.749372  
1 1 1 1   86  17 o 25.441  7.8576  386.298    238.320  439.127    406.249  358.577    294.276  27.868  10.246  25.122  8.7805  2.746153       13.49370  
1 1 1 1   86  18 o 26.358  7.9145  422.410    244.069  343.545    389.962  473.198    312.941  25.759  9.9142  27.795  9.0565  -2.036018      13.42795  
1 1 1 1   86  19 o 56.016  4.1407  1758.66    249.439  1100.63    555.461  1924.88    279.171  39.565  11.953  58.470  4.4415  -18.90520      12.75165  
1 1 1 1   86  20 o 45.667  5.8511  1218.36    282.748  0.0000     0.0000   1218.36    282.748  ?       ?       45.667  5.8511  0.000000       5.851063  
1 1 1 1   86  21 o 18.864  8.1373  49.670     302.774  0.0000     0.0000   49.670     302.774  ?       ?       18.864  8.1373  0.000000       8.137256  
1 1 1 1   87  0  o 100.208 2.8567  5458.73    310.059  5439.72    442.577  5477.06    434.514  99.836  4.0929  100.194 4.0040  -0.3587341     5.725713  
1 1 1 1   87  1  o 78.100  2.8437  3315.77    240.555  3237.15    339.621  3394.92    340.774  76.908  4.0918  78.782  4.0069  -1.873734      5.726955  
1 1 1 1   87  2  o 16.593  5.7499  136.843    126.062  381.848    194.950  -39.2232   165.262  25.813  6.8568  13.444  5.9019  12.36914       9.047035  
1 1 1 1   87  3  o 88.030  2.8424  4212.98    271.014  4302.47    389.752  4129.20    377.104  88.782  4.0532  86.984  4.0027  1.797607       5.696465  
1 1 1 1   87  4  o 138.693 3.1974  10469.68   480.310  10629.92   680.956  10311.03   677.579  139.404 4.5100  137.283 4.5569  2.121246       6.411362  
1 1 1 1   87  5  o 49.527  3.2376  1341.04    172.719  1462.27    254.737  1237.89    234.980  51.485  4.6172  47.332  4.6434  4.152943       6.548261  
1 1 1 1   87  6  o 53.554  3.3063  1567.98    190.843  1632.63    282.383  1513.62    258.925  54.364  4.8466  52.379  4.6110  1.984467       6.689597  
1 1 1 1   87  7  o 39.126  4.0527  845.307    169.254  1073.33    282.619  717.790    211.346  43.664  6.1461  35.676  5.6583  7.987446       8.354109  
1 1 1 1   87  8  o 40.356  4.4195  902.331    190.016  703.523    260.325  1129.04    277.989  34.935  7.1214  44.854  5.8624  -9.918434      9.224019  
1 1 1 1   87  9  o 63.860  3.3701  2229.87    232.274  2252.41    341.764  2210.53    316.644  63.823  4.9835  63.308  4.6504  0.5153847      6.816268  
1 1 1 1   87  10 o 72.537  3.2739  2868.92    257.216  3027.58    378.983  2733.42    350.233  74.093  4.7475  70.422  4.6173  3.671112       6.622549  
1 1 1 1   87  11 o 131.526 3.3212  9440.70    473.131  9496.48    684.017  9389.53    655.135  131.365 4.8075  130.699 4.6279  0.6655273      6.673067  
1 1 1 1   87  12 o 96.433  3.3038  5078.92    345.073  5077.16    509.590  5080.40    468.953  95.804  4.9277  96.099  4.5055  -0.2955017     6.676898  
1 1 1 1   87  13 o 46.963  4.7619  1230.62    238.868  1149.43    369.209  1289.07    313.264  44.230  8.0015  47.599  6.2255  -3.369049      10.13808  
1 1 1 1   87  14 o 98.156  3.3817  5281.95    359.522  5107.50    536.196  5424.44    484.594  95.604  5.1977  98.999  4.5194  -3.395180      6.887729  
1 1 1 1   87  15 o 58.435  2.7010  1866.34    170.950  1991.81    425.457  1842.18    186.682  58.614  6.8298  57.923  2.9858  0.6908569      7.453923  
1 1 1 1   87  16 o 46.553  2.0663  1180.46    104.186  942.860    389.509  1198.77    108.126  38.781  9.3763  46.904  2.1284  -8.122562      9.614874  
1 1 1 1   87  17 f 41.855  5.7936  1011.46    255.601  1367.61    431.511  818.957    317.246  47.100  8.7816  36.497  8.2226  10.60303       12.03033  
1 1 1 1   87  18 o 15.471  6.9172  -64.5659   237.486  344.661    407.543  -274.9745  292.229  25.936  10.092  14.777  6.9760  11.15899       12.26847  
1 1 1 1   87  19 o 26.853  7.2216  441.865    214.603  253.343    504.413  483.530    237.135  25.629  10.757  27.961  7.6214  -2.332289      13.18309  
1 1 1 1   87  20 o 13.063  6.1574  -210.0554  226.074  0.0000     0.0000   -210.0554  226.074  ?       ?       13.063  6.1574  0.000000       6.157365  
1 1 1 1   87  21 o 19.912  8.3646  111.819    305.455  0.0000     0.0000   111.819    305.455  ?       ?       19.912  8.3646  0.000000       8.364609  
1 1 1 1   88  0  o 49.239  3.3457  1326.21    177.370  1306.56    244.078  1348.19    258.197  48.638  4.6914  49.372  4.8928  -0.7336960     6.778514  
1 1 1 1   88  1  o 58.974  3.0182  1896.82    192.141  1977.50    270.671  1814.86    272.798  60.026  4.1895  57.449  4.4180  2.577248       6.088589  
1 1 1 1   88  2  o 98.031  2.8592  5225.61    303.584  5483.19    437.058  4985.47    422.003  100.219 4.0264  95.552  4.0776  4.666481       5.730521  
1 1 1 1   88  3  o 121.561 3.0401  8039.96    400.268  7962.28    567.805  8116.70    564.341  120.679 4.3441  121.862 4.2757  -1.182602      6.095264  
1 1 1 1   88  4  o 17.866  6.1029  162.748    141.827  332.371    213.296  28.317     189.885  24.344  7.4188  15.800  6.6139  8.543386       9.938943  
1 1 1 1   88  5  o 75.084  2.9152  3067.07    237.080  2949.47    338.404  3180.43    332.245  73.317  4.2801  76.195  4.0403  -2.878792      5.885848  
1 1 1 1   88  6  o 117.155 3.0299  7471.28    384.473  8196.85    556.203  6807.34    532.055  122.425 4.1946  111.510 4.4052  10.91415       6.082863  
1 1 1 1   88  7  o 121.439 3.1442  8032.62    413.558  7698.66    594.638  8345.47    575.547  118.489 4.6334  123.471 4.3037  -4.982201      6.323832  
1 1 1 1   88  8  o 38.308  4.6488  816.453    188.935  804.634    260.829  829.500    274.049  37.527  6.6610  38.049  6.9041  -0.5219421     9.593553  
1 1 1 1   88  9  o 13.013  5.7879  -57.1075   163.972  9.1767     255.396  -103.5909  213.874  17.688  7.5484  14.364  6.4815  3.323257       9.949299  
1 1 1 1   88  10 o 59.099  3.8534  1918.65    245.311  1980.53    361.042  1865.59    334.340  59.570  5.6640  57.881  5.3953  1.688866       7.822405  
1 1 1 1   88  11 o 126.368 3.2652  8718.02    446.904  9076.36    654.237  8404.53    611.919  128.386 4.7049  123.600 4.5709  4.785515       6.559677  
1 1 1 1   88  12 o 39.558  5.1779  880.755    216.524  1346.21    355.892  607.222    272.827  48.409  6.9902  32.021  7.9124  16.38841       10.55784  
1 1 1 1   88  13 o 62.454  3.8044  2151.13    256.118  2123.03    404.824  2169.89    330.720  61.148  6.1981  62.347  4.9379  -1.199352      7.924594  
1 1 1 1   88  14 o 74.771  2.8683  3057.59    232.288  3112.29    452.980  3038.08    270.571  74.191  5.6802  74.397  3.3578  -0.2056885     6.598491  
1 1 1 1   88  15 f 46.677  2.2657  1187.85    114.544  1005.03    397.302  1204.43    119.624  40.173  9.3125  46.930  2.3609  -6.756962      9.607120  
1 1 1 1   88  16 o 33.084  2.3257  600.153    82.808   916.244    437.315  588.398    84.334   37.674  10.384  32.745  2.3945  4.928856       10.65612  
1 1 1 1   88  17 o 30.041  1.4454  490.302    47.029   178.648    393.676  494.815    47.368   23.169  9.5956  30.179  1.4492  -7.009809      9.704421  
1 1 1 1   88  18 o 28.067  7.9289  487.105    251.673  527.522    425.290  465.324    312.207  29.255  10.524  27.477  9.0504  1.777328       13.87997  
1 1 1 1   88  19 o 18.197  7.1820  134.233    208.877  -339.1324  497.732  235.418    230.121  19.488  9.1709  21.052  7.7159  -1.564119      11.98500  
1 1 1 1   88  20 o 20.876  8.2444  196.010    275.408  0.0000     0.0000   196.010    275.408  ?       ?       20.876  8.2444  0.000000       8.244389  
1 1 1 1   89  0  o 67.602  2.8668  2485.44    209.905  2405.33    301.521  2560.77    292.389  66.208  4.2268  68.374  3.9652  -2.166283      5.795606  
1 1 1 1   89  1  o 92.915  2.8368  4694.96    285.481  4542.59    407.437  4841.90    400.124  91.182  4.1255  94.178  3.9226  -2.995918      5.692695  
1 1 1 1   89  2  o 156.809 3.3937  13397.46   576.390  13210.88   818.078  13581.37   812.230  155.218 4.8661  157.420 4.7638  -2.201950      6.809730  
1 1 1 1   89  3  o 100.636 2.9226  5509.92    318.561  5493.51    452.755  5526.01    448.305  100.248 4.1698  100.556 4.1162  -0.3080368     5.859197  
1 1 1 1   89  4  o 18.678  5.8819  190.573    132.813  243.891    199.033  147.775    178.322  21.518  7.2303  18.313  6.7785  3.204638       9.910865  
1 1 1 1   89  5  o 25.124  5.9237  362.300    158.570  340.412    270.921  373.705    195.569  25.178  8.4356  25.498  6.9094  -0.3205051     10.90410  
1 1 1 1   89  6  o 88.929  3.0260  4305.75    291.460  4266.46    414.351  4344.23    410.056  88.276  4.3337  89.096  4.2493  -0.8196487     6.069366  
1 1 1 1   89  7  o 87.524  3.0586  4171.89    289.945  4001.98    424.113  4320.98    397.289  85.302  4.6075  88.871  4.1274  -3.568893      6.185849  
1 1 1 1   89  8  o 34.533  5.3701  672.202    194.334  607.335    281.115  731.575    268.947  32.220  8.0721  35.578  7.2259  -3.357571      10.83391  
1 1 1 1   89  9  o 24.338  7.3184  336.789    208.577  138.116    296.593  531.181    293.379  21.162  8.4902  30.146  8.5763  -8.984156      12.06801  
1 1 1 1   89  10 o 113.454 3.2308  7025.14    397.006  6483.06    568.511  7541.11    554.649  108.469 4.8391  117.171 4.3705  -8.702583      6.520566  
1 1 1 1   89  11 o 168.639 3.6394  15573.40   664.751  15607.51   954.180  15541.23   926.625  167.823 5.2494  167.570 5.1055  0.2536774      7.322714  
1 1 1 1   89  12 o 132.131 3.3213  9557.28    475.320  9911.63    695.102  9246.05    651.429  133.781 4.7972  129.296 4.6517  4.484360       6.682144  
1 1 1 1   89  13 o 53.097  4.2379  1567.40    241.690  1336.48    389.052  1712.52    308.424  47.543  7.8278  55.155  5.2252  -7.611904      9.411500  
1 1 1 1   89  14 o 54.636  2.4406  1628.84    144.424  1433.33    400.437  1658.08    154.846  49.122  7.7862  55.097  2.5948  -5.975449      8.207147  
1 1 1 1   89  15 o 39.613  1.5972  852.697    68.527   178.153    381.988  875.127    69.657   23.140  9.5044  40.130  1.6026  -16.98953      9.638546  
1 1 1 1   89  16 o 99.318  3.1602  5420.49    339.941  5523.11    563.933  5361.92    426.051  98.849  5.2864  98.351  3.9996  0.4978027      6.628936  
1 1 1 1   89  17 o 18.458  1.6156  186.674    31.974   -117.7219  367.335  188.998    32.096   18.634  8.4433  18.574  1.6114  0.6031799E-01  8.595671  
1 1 1 1   89  18 o 31.716  7.5744  619.912    256.611  727.374    434.059  562.174    318.166  33.094  10.656  29.755  9.0594  3.339375       13.98671  
1 1 1 1   89  19 o 19.936  8.3798  105.474    306.854  0.0000     0.0000   105.474    306.854  ?       ?       19.936  8.3798  0.000000       8.379791  
1 1 1 1   89  20 o 25.508  9.0677  391.157    314.875  0.0000     0.0000   391.157    314.875  ?       ?       25.508  9.0677  0.000000       9.067719  
1 1 1 1   90  0  o 58.850  3.0977  1890.63    196.750  1845.59    283.814  1932.31    272.995  57.872  4.5650  59.285  4.2803  -1.412952      6.257767  
1 1 1 1   90  1  o 67.541  2.9171  2482.14    213.400  2214.82    300.473  2754.20    303.129  63.464  4.3984  70.898  3.9634  -7.433872      5.920638  
1 1 1 1   90  2  o 15.665  5.7802  107.591    129.462  200.212    198.209  38.679     170.969  20.253  7.1949  15.295  6.3282  4.957714       9.581904  
1 1 1 1   90  3  f 14.441  5.9948  30.789     154.163  -160.7033  211.350  248.516    225.363  13.471  6.2156  22.101  7.6863  -8.629271      9.884969  
1 1 1 1   90  4  o 44.707  3.5652  1097.08    171.199  858.516    242.600  1333.72    241.626  39.008  5.9287  49.122  4.5948  -10.11392      7.500785  
1 1 1 1   90  5  o 41.903  4.2402  970.415    189.797  577.558    275.151  1327.02    262.148  31.474  8.0417  48.896  5.0213  -17.42163      9.480663  
1 1 1 1   90  6  o 80.874  3.0740  3562.25    269.269  3574.20    400.033  3552.35    364.104  80.600  4.6015  80.459  4.1926  0.1404190      6.225066  
1 1 1 1   90  7  o 76.022  3.0537  3148.44    251.443  2785.19    363.327  3482.33    348.334  71.053  4.7484  79.673  4.0499  -8.620132      6.240949  
1 1 1 1   90  8  o 33.547  6.3450  645.326    222.098  722.272    326.900  579.357    302.685  34.966  8.6737  31.399  8.6323  3.566898       12.23718  
1 1 1 1   90  9  o 71.440  3.4599  2788.49    267.714  2698.09    370.161  2887.65    387.654  69.792  4.9285  72.194  4.9882  -2.402016      7.012336  
1 1 1 1   90  10 f 51.111  4.2725  1445.79    234.350  1373.64    344.315  1508.05    319.875  49.071  6.6495  51.751  5.8070  -2.679646      8.828226  
1 1 1 1   90  11 o 15.004  6.5655  -31.3850   203.041  255.267    328.035  -209.4081  258.512  23.853  9.1138  14.566  6.7738  9.286617       11.35541  
1 1 1 1   90  12 o 30.108  6.6288  532.812    210.315  207.455    349.945  716.775    263.139  23.243  9.2572  34.831  7.2125  -11.58726      11.73524  
1 1 1 1   90  13 o 87.631  2.9568  4203.38    280.636  4340.16    486.084  4135.00    343.705  87.978  5.1233  86.669  3.6614  1.308723       6.297189  
1 1 1 1   90  14 o 33.562  6.0260  655.459    211.001  882.882    374.082  549.342    255.530  37.659  9.2405  30.128  7.7775  7.531223       12.07791  
1 1 1 1   90  15 o 28.838  7.1778  500.409    223.307  471.469    381.038  515.548    275.594  28.326  9.9851  29.030  8.3301  -0.7040424     13.00355  
1 1 1 1   90  16 o 33.042  1.9425  596.659    69.212   621.160    391.353  595.868    70.320   31.320  10.122  33.015  1.9756  -1.694942      10.31296  
1 1 1 1   90  17 o 21.855  1.5566  261.007    36.606   369.234    375.224  259.967    36.781   25.944  9.7867  21.810  1.5675  4.134804       9.911457  
1 1 1 1   90  18 o 36.107  7.2311  793.273    272.936  619.891    423.144  916.803    357.168  30.859  10.541  37.934  8.8543  -7.075104      13.76666  
1 1 1 1   90  19 o 50.664  10.671  1723.94    567.083  0.0000     0.0000   1723.94    567.083  ?       ?       50.664  10.671  0.000000       10.67124  
1 1 1 1   91  0  o 29.249  4.6952  480.439    143.710  416.419    202.301  545.658    204.186  26.864  6.9126  30.858  6.3219  -3.994043      9.367522  
1 1 1 1   91  1  o 94.686  2.8530  4877.84    292.592  4592.42    416.990  5154.65    410.656  91.626  4.2018  97.140  3.9031  -5.513359      5.734944  
1 1 1 1   91  2  o 84.916  2.8549  3923.31    262.575  3859.23    378.721  3982.62    364.369  83.999  4.1627  85.376  3.9404  -1.376190      5.731881  
1 1 1 1   91  3  o 43.202  3.6705  1025.85    170.123  738.957    242.726  1302.86    238.510  35.994  6.4636  48.543  4.5908  -12.54944      7.928087  
1 1 1 1   91  4  o 39.749  4.2599  874.435    180.542  894.834    286.802  861.046    232.358  39.551  6.9486  39.126  5.6465  0.4256363      8.953520  
1 1 1 1   91  5  o 27.025  6.2813  420.805    180.361  514.363    253.942  325.569    256.210  29.723  7.7926  24.564  8.2036  5.159306       11.31473  
1 1 1 1   91  6  f 100.749 3.0222  5529.75    329.786  5714.52    482.174  5367.35    452.057  102.091 4.3606  98.981  4.2167  3.110260       6.065918  
1 1 1 1   91  7  o 67.334  3.4645  2482.23    251.810  2471.36    371.622  2491.45    342.397  66.742  5.1814  67.145  4.7385  -0.4025345     7.021431  
1 1 1 1   91  8  o 151.589 3.4556  12556.15   567.367  12095.02   802.223  13017.64   802.534  148.060 5.0025  153.704 4.8207  -5.644623      6.947220  
1 1 1 1   91  9  o 105.982 3.2040  6135.15    367.784  6218.20    515.285  6048.90    525.103  106.266 4.4769  104.750 4.6283  1.516045       6.439254  
1 1 1 1   91  10 o 45.360  2.1951  1119.35    107.844  1116.67    114.057  1141.92    331.264  45.233  2.3361  44.387  7.1320  0.8459435      7.504847  
1 1 1 1   91  11 o 71.793  3.7066  2839.80    287.241  2462.32    424.173  3159.51    390.369  65.920  6.0069  75.306  4.8111  -9.386818      7.696099  
1 1 1 1   91  12 o 27.113  1.5978  400.684    46.712   416.108    347.796  400.401    47.139   27.161  9.5427  27.101  1.6132  0.5955696E-01  9.678111  
1 1 1 1   91  13 o 54.760  4.3739  1672.85    257.255  1475.07    398.770  1813.85    336.686  49.956  7.6105  56.537  5.5706  -6.581654      9.431341  
1 1 1 1   91  14 o 19.198  7.3038  164.844    210.111  317.748    362.763  87.656     257.745  25.203  9.5949  18.770  7.7682  6.432800       12.34533  
1 1 1 1   91  15 o 72.911  3.7500  2944.86    295.133  2550.23    471.931  3198.33    378.217  66.251  6.6674  75.547  4.6448  -9.296089      8.125765  
1 1 1 1   91  16 o 26.732  7.7910  435.877    239.402  359.873    388.786  482.296    303.838  26.022  9.9269  27.981  8.9057  -1.958809      13.33622  
1 1 1 1   91  17 o 29.951  1.9497  491.022    62.904   564.210    393.221  489.099    63.724   29.825  10.162  29.888  1.9798  -0.6244087E-01 10.35306  
1 1 1 1   91  18 o 32.254  7.3710  640.096    251.874  747.904    400.156  569.356    324.142  33.527  10.149  29.799  9.1573  3.727682       13.66971  
1 1 1 1   91  19 o 29.273  10.585  544.118    430.942  0.0000     0.0000   544.118    430.942  ?       ?       29.273  10.585  0.000000       10.58456  
1 1 1 1   92  0  o 25.527  5.0850  370.531    135.653  199.077    197.779  522.841    186.410  20.193  7.1856  30.265  5.8986  -10.07269      9.296601  
1 1 1 1   92  1  o 66.454  2.9860  2404.40    214.924  2126.16    305.700  2676.36    302.228  62.106  4.5768  69.850  4.0116  -7.744476      6.086103  
1 1 1 1   92  2  o 75.659  2.9435  3116.38    241.208  3017.85    343.206  3212.56    339.073  74.114  4.2939  76.521  4.1061  -2.407089      5.941195  
1 1 1 1   92  3  o 62.185  3.3753  2115.17    226.485  1718.28    337.431  2440.59    305.536  55.495  5.6945  66.624  4.2563  -11.12902      7.109449  
1 1 1 1   92  4  o 107.544 3.0494  6301.17    355.197  6008.98    506.081  6584.84    498.650  104.663 4.4643  109.644 4.1989  -4.981026      6.128726  
1 1 1 1   92  5  o 87.566  3.0578  4178.85    290.017  4252.08    430.439  4117.96    392.476  87.886  4.5374  86.689  4.1800  1.196976       6.169302  
1 1 1 1   92  6  o 70.189  3.4657  2690.80    263.465  3111.08    379.465  2299.63    366.087  75.068  4.6906  64.317  5.3024  10.75055       7.079399  
1 1 1 1   92  7  o 46.510  4.4771  1199.99    222.750  1235.56    349.093  1175.55    289.297  46.375  7.1823  45.604  6.0028  0.7708893      9.360470  
1 1 1 1   92  8  o 24.455  7.5067  342.062    217.889  327.562    324.185  354.009    294.265  25.368  9.1792  25.550  8.7888  -0.1818390     12.70830  
1 1 1 1   92  9  f 83.358  3.3818  3803.73    305.325  3651.11    434.522  3952.57    429.119  81.023  4.9756  84.425  4.7116  -3.402702      6.852399  
1 1 1 1   92  10 o 117.003 3.3009  7499.74    418.307  7687.50    594.257  7315.33    588.928  117.791 4.6579  114.862 4.7339  2.929291       6.641206  
1 1 1 1   92  11 o 79.060  3.5365  3434.44    302.831  3762.24    444.789  3151.18    413.460  82.004  5.0321  74.982  5.1217  7.022545       7.180114  
1 1 1 1   92  12 o 28.446  7.2870  483.740    225.512  428.879    353.092  521.536    293.074  27.444  9.6166  29.337  8.6403  -1.892914      12.92806  
1 1 1 1   92  13 o 16.935  6.9506  72.783     204.102  25.862     348.462  97.287     251.819  20.176  8.7165  18.816  7.7212  1.360224       11.64450  
1 1 1 1   92  14 o 26.557  7.3531  424.142    218.729  289.004    372.602  495.198    270.182  24.764  9.6459  28.494  8.2688  -3.730350      12.70496  
1 1 1 1   92  15 o 46.143  5.2282  1214.32    256.682  1313.88    413.278  1151.80    327.508  46.208  8.5734  44.020  7.1115  2.187057       11.13895  
1 1 1 1   92  16 o 55.570  4.4019  1735.10    262.773  1678.67    436.944  1767.07    328.894  52.641  7.9081  55.507  5.5449  -2.866287      9.658334  
1 1 1 1   92  17 o 58.930  2.5482  1902.29    162.643  1642.52    439.675  1943.47    175.061  51.735  8.1134  59.519  2.7156  -7.783703      8.555779  
1 1 1 1   92  18 o 69.567  4.9485  2749.99    370.432  2846.97    944.006  2732.34    402.735  60.974  14.505  69.015  5.4316  -8.040516      15.48871  
1 1 1 1   93  0  o 56.458  3.2144  1743.42    195.747  1582.81    268.163  1926.61    286.392  53.485  4.6761  59.088  4.5090  -5.602737      6.495902  
1 1 1 1   93  1  o 95.795  2.9704  4998.53    308.196  5119.90    439.467  4881.07    432.330  96.673  4.1971  94.383  4.2291  2.289948       5.958288  
1 1 1 1   93  2  f 53.302  3.5483  1558.21    203.677  1441.85    311.628  1644.99    269.113  50.732  5.7741  54.545  4.5981  -3.812428      7.381294  
1 1 1 1   93  3  o 30.545  5.1066  527.373    162.981  632.921    244.695  443.213    218.501  33.044  7.0518  27.616  7.2227  5.427778       10.09433  
1 1 1 1   93  4  o 52.606  3.6535  1519.96    206.881  1666.35    325.565  1420.81    267.933  54.605  5.5832  50.553  4.9572  4.052116       7.466333  
1 1 1 1   93  5  f 33.091  5.7634  623.989    199.060  659.068    306.628  598.436    261.706  33.375  8.4687  31.940  7.6631  1.434750       11.42106  
1 1 1 1   93  6  o 31.987  5.9286  586.495    197.835  775.418    300.981  442.781    262.510  36.306  7.8802  27.589  8.1909  8.717373       11.36607  
1 1 1 1   93  7  o 49.583  4.4837  1365.31    238.186  1659.91    359.396  1134.57    318.069  54.124  6.2454  44.421  6.8296  9.702568       9.254694  
1 1 1 1   93  8  o 52.492  4.2476  1527.50    239.424  1148.24    339.749  1901.66    337.456  44.420  7.3165  58.211  5.4144  -13.79122      9.102036  
1 1 1 1   93  9  o 76.385  3.5035  3201.18    289.857  2996.88    412.975  3399.54    406.931  73.151  5.2472  78.124  4.8329  -4.972382      7.133677  
1 1 1 1   93  10 o 31.887  6.7254  598.488    224.967  464.901    320.663  727.969    315.697  28.096  9.1682  34.618  8.4855  -6.522303      12.49232  
1 1 1 1   93  11 o 29.988  6.8211  532.563    216.554  609.539    309.934  459.138    302.702  31.590  8.7551  27.813  8.8930  3.777571       12.47949  
1 1 1 1   93  12 o 43.161  5.1713  1056.21    236.933  1017.73    375.576  1081.65    305.364  40.772  8.7654  43.026  6.7769  -2.253471      11.07967  
1 1 1 1   93  13 o 39.223  5.4966  881.842    227.094  504.954    376.053  1098.18    284.911  29.037  9.9375  43.534  6.2192  -14.49675      11.72316  
1 1 1 1   93  14 o 43.043  5.1905  1055.79    237.099  1321.41    398.009  909.674    295.194  46.678  8.1701  39.014  7.2528  7.664326       10.92488  
1 1 1 1   93  15 o 25.626  7.5538  397.228    223.917  357.085    390.269  416.927    273.392  26.003  9.9396  26.270  8.4570  -0.2661552     13.05049  
1 1 1 1   93  16 o 20.557  7.6059  215.496    224.467  657.274    393.232  1.9683     273.384  31.833  10.131  17.569  7.6548  14.26372       12.69814  
1 1 1 1   93  17 f 30.117  6.9217  550.995    221.052  68.338     401.502  760.934    264.798  21.538  9.3305  35.407  7.1511  -13.86883      11.75575  
1 1 1 1   93  18 o 65.829  6.8272  2564.83    479.694  2917.66    1121.69  2485.86    530.669  58.104  16.844  63.980  7.8207  -5.875172      18.57113  
1 1 1 1   94  0  o 53.452  3.1555  1563.69    181.875  1314.05    261.329  1798.19    253.281  48.570  5.0411  57.132  4.1208  -8.561939      6.511028  
1 1 1 1   94  1  o 80.528  2.9624  3534.23    258.380  3365.78    384.788  3672.56    348.683  78.119  4.5676  81.892  3.9311  -3.773361      6.026369  
1 1 1 1   94  2  o 18.816  6.3788  185.061    154.928  137.245    237.143  220.666    204.637  19.559  7.6738  20.856  7.3203  -1.297474      10.60532  
1 1 1 1   94  3  o 41.076  4.4036  937.396    192.861  1073.02    322.900  862.181    240.465  43.168  7.1569  38.989  5.8767  4.178486       9.260489  
1 1 1 1   94  4  o 38.795  4.9132  843.264    201.818  934.329    303.394  770.985    270.294  40.152  7.2428  36.434  7.1048  3.718758       10.14574  
1 1 1 1   94  5  o 45.467  4.4185  1148.33    214.842  1061.56    326.098  1214.88    285.583  42.793  7.2973  46.369  5.8142  -3.575901      9.330364  
1 1 1 1   94  6  o 17.229  7.0112  76.886     205.472  -83.2336   315.688  194.575    270.647  18.053  8.0303  21.501  8.2633  -3.448050      11.52247  
1 1 1 1   94  7  o 27.771  6.9992  454.268    210.455  359.174    303.043  542.857    292.493  25.646  8.9134  30.132  8.5603  -4.485630      12.35830  
1 1 1 1   94  8  o 62.044  3.9676  2128.27    265.226  2070.55    388.840  2178.48    362.695  60.396  6.0245  62.224  5.4362  -1.827980      8.114613  
1 1 1 1   94  9  o 79.207  2.9386  3431.06    252.099  2957.57    314.314  4284.98    422.107  73.139  3.9827  87.860  4.4502  -14.72058      5.972161  
1 1 1 1   94  10 o 51.854  4.4339  1500.02    246.630  1224.95    354.526  1757.97    343.318  45.622  7.4305  55.623  5.7832  -10.00186      9.415832  
1 1 1 1   94  11 o 26.467  7.0532  416.905    205.852  506.896    309.340  345.382    275.780  28.965  8.9532  24.783  8.5092  4.182510       12.35182  
1 1 1 1   94  12 o 11.306  5.4718  -315.3871  205.506  -110.8466  338.240  -435.0741  258.737  18.111  8.1636  12.307  5.9981  5.804197       10.13026  
1 1 1 1   94  13 o 14.661  6.4915  -44.9649   204.007  -343.9391  354.739  102.777    249.370  16.152  7.6438  18.797  7.6951  -2.645203      10.84634  
1 1 1 1   94  14 o 15.177  6.7586  -56.1781   224.266  -64.1518   367.461  -51.4451   283.107  19.320  8.6237  17.161  7.6205  2.158272       11.50823  
1 1 1 1   94  15 o 15.722  6.8313  -4.4794    216.515  -527.6379  384.658  238.141    261.953  15.469  7.4864  21.776  8.1848  -6.307049      11.09225  
1 1 1 1   94  16 o 62.265  4.3287  2176.98    290.110  2040.81    462.202  2265.50    372.662  58.284  7.4954  62.832  5.5325  -4.547337      9.316058  
1 1 1 1   94  17 o 92.991  4.3756  4841.87    440.702  5734.75    1149.02  4687.87    477.197  91.953  11.810  91.042  4.8569  0.9109802      12.76961  
1 1 1 1   95  0  o 66.295  3.7537  2415.21    268.430  2527.09    492.638  2367.97    320.126  66.693  6.9207  65.421  4.5461  1.271782       8.280301  
1 1 1 1   95  1  o 67.739  3.3349  2507.90    244.674  2551.59    356.760  2469.10    336.196  67.806  4.8906  66.764  4.6788  1.041969       6.768239  
1 1 1 1   95  2  o 81.471  3.1972  3625.66    282.123  3367.03    396.581  3890.66    401.428  77.985  4.7174  83.954  4.4303  -5.969795      6.471580  
1 1 1 1   95  3  o 65.713  3.5533  2370.94    251.961  2194.13    359.623  2541.41    353.120  62.663  5.3500  67.649  4.8516  -4.986832      7.222175  
1 1 1 1   95  4  o 62.980  3.7761  2183.45    256.392  1872.19    355.774  2519.77    369.821  57.665  5.7739  67.233  5.1170  -9.567577      7.714972  
1 1 1 1   95  5  o 24.438  7.3965  345.068    212.546  512.224    327.789  223.798    279.196  29.465  9.2343  22.267  8.4318  7.197155       12.50472  
1 1 1 1   95  6  o 53.121  4.4452  1569.46    253.407  1743.40    366.150  1409.55    351.070  55.343  6.2158  49.492  6.7233  5.851593       9.156363  
1 1 1 1   95  7  o 65.811  3.7078  2387.72    263.218  1967.29    376.984  2787.66    367.684  58.866  5.9965  70.704  4.8302  -11.83878      7.699942  
1 1 1 1   95  8  o 62.232  3.9821  2143.04    266.997  1882.84    391.642  2368.98    364.952  57.341  6.4159  64.953  5.2319  -7.611790      8.278724  
1 1 1 1   95  9  o 22.743  7.5370  290.237    216.404  -39.0963   312.349  594.250    300.101  18.394  8.0934  31.267  8.5951  -12.87320      11.80592  
1 1 1 1   95  10 o 58.713  3.9513  1910.56    249.813  1617.27    347.511  2224.21    359.365  53.127  6.1531  62.801  5.3337  -9.673622      8.143070  
1 1 1 1   95  11 o 12.522  5.8709  -186.2645  200.807  -276.2202  323.136  -129.6696  256.306  15.882  7.4469  15.338  6.9898  0.5437441      10.21338  
1 1 1 1   95  12 o 75.465  3.5958  3138.89    293.907  3134.57    446.980  3142.18    390.098  74.316  5.5941  74.837  4.8386  -0.5210876     7.396365  
1 1 1 1   95  13 o 64.509  4.0495  2316.37    281.504  2415.30    432.906  2243.89    370.543  64.696  6.2561  62.776  5.5054  1.920155       8.333514  
1 1 1 1   95  14 o 50.765  4.6241  1453.12    251.460  1252.45    416.129  1568.55    315.599  44.825  8.8851  52.255  5.6670  -7.429840      10.53851  
1 1 1 1   95  15 o 29.316  7.2993  525.229    230.877  -32.6552   405.992  791.873    280.680  20.478  9.1079  36.070  7.4317  -15.59200      11.75521  
1 1 1 1   95  16 o 16.826  7.1109  47.010     222.904  -525.8312  395.406  313.862    269.874  15.731  7.6075  23.570  8.3931  -7.839602      11.32778  
1 1 1 1   96  0  o 89.825  3.0655  4407.92    298.245  4552.60    445.769  4290.67    401.292  90.820  4.5317  88.287  4.1966  2.532890       6.176340  
1 1 1 1   96  1  o 96.525  3.0592  5090.08    319.832  5269.59    463.810  4927.33    441.627  97.765  4.3801  94.563  4.3119  3.202286       6.146367  
1 1 1 1   96  2  o 86.303  3.1816  4072.70    297.405  3944.70    418.462  4203.34    422.758  84.380  4.5961  87.152  4.4939  -2.772484      6.427990  
1 1 1 1   96  3  o 92.546  3.2012  4685.19    320.875  4660.34    456.771  4709.39    450.859  91.699  4.6137  92.332  4.5084  -0.6323471     6.450742  
1 1 1 1   96  4  o 65.330  3.7350  2351.75    263.188  2125.14    389.472  2542.20    357.046  61.286  5.9421  67.516  4.9163  -6.230293      7.712224  
1 1 1 1   96  5  o 106.992 3.2267  6267.69    373.925  6250.05    535.698  6284.45    522.182  106.215 4.6565  106.575 4.5237  -0.3592224     6.492115  
1 1 1 1   96  6  o 29.512  6.7217  512.964    210.051  294.999    304.656  710.461    289.999  24.138  8.8732  34.431  7.9388  -10.29217      11.90626  
1 1 1 1   96  7  o 74.286  3.5819  3031.37    288.197  2987.88    425.700  3068.17    391.579  72.905  5.4300  74.131  4.9047  -1.225464      7.317178  
1 1 1 1   96  8  o 57.139  4.2286  1813.84    259.841  1705.53    384.603  1904.79    352.441  54.398  6.6673  57.987  5.6846  -3.589813      8.761745  
1 1 1 1   96  9  o 63.846  3.8883  2255.70    267.601  2142.59    384.183  2362.30    372.957  61.400  5.8476  64.729  5.3682  -3.328884      7.938056  
1 1 1 1   96  10 f 69.978  3.4983  2693.32    265.147  2751.76    382.594  2639.32    367.792  69.973  5.0829  68.568  4.9864  1.404472       7.120440  
1 1 1 1   96  11 o 76.595  3.5142  3229.95    291.537  3580.70    441.597  2958.96    388.147  79.760  5.1391  72.569  4.9682  7.191376       7.147923  
1 1 1 1   96  12 o 31.138  6.8818  579.653    225.918  697.685    358.607  501.981    290.904  33.245  9.4903  28.622  8.6510  4.622581       12.84153  
1 1 1 1   96  13 o 52.884  4.7080  1576.78    266.846  1575.92    412.532  1577.39    349.908  51.285  7.6615  52.088  6.3325  -0.8022766     9.939811  
1 1 1 1   96  14 o 28.921  7.2208  508.941    225.491  362.139    388.799  583.348    276.799  26.018  9.9266  30.638  8.1856  -4.620085      12.86630  
1 1 1 1   96  15 o 53.370  5.0114  1619.21    286.296  1023.04    493.796  1921.10    351.384  38.853  11.151  57.790  5.6875  -18.93704      12.51750  
1 1 1 1   97  0  o 100.813 3.1327  5559.63    342.065  5658.82    493.855  5468.15    474.245  101.168 4.5070  99.497  4.4007  1.671494       6.299135  
1 1 1 1   97  1  o 71.987  3.4055  2840.01    265.521  2863.35    388.261  2819.51    363.927  71.617  5.0374  71.183  4.7475  0.4343643      6.922051  
1 1 1 1   97  2  o 51.817  3.8367  1484.10    213.797  1532.74    309.875  1439.90    295.356  52.092  5.5789  50.507  5.4874  1.585377       7.825349  
1 1 1 1   97  3  o 48.514  4.1338  1306.56    215.141  1460.32    320.154  1179.95    290.513  50.679  5.9455  45.452  6.0517  5.227924       8.483616  
1 1 1 1   97  4  o 62.469  3.6128  2149.92    243.399  1768.43    357.238  2480.46    332.525  55.786  6.0071  66.763  4.6271  -10.97672      7.582536  
1 1 1 1   97  5  o 44.922  4.7502  1131.22    227.616  1184.47    331.408  1083.66    313.162  45.128  7.0075  43.159  6.9341  1.969891       9.858342  
1 1 1 1   97  6  o 35.898  6.0101  743.196    225.418  952.886    342.512  582.972    299.399  39.857  8.2076  31.027  8.6072  8.829834       11.89319  
1 1 1 1   97  7  o 44.600  5.0947  1122.56    241.693  1240.18    359.371  1025.43    326.586  45.909  7.4852  41.648  7.5164  4.261330       10.60777  
1 1 1 1   97  8  o 48.895  2.5876  1308.71    136.547  1219.74    148.881  1779.95    342.621  47.126  2.9313  55.973  5.7324  -8.846550      6.438437  
1 1 1 1   97  9  o 26.541  7.2109  420.134    212.679  329.921    292.461  521.385    309.837  24.596  8.7395  29.306  8.9438  -4.709515      12.50486  
1 1 1 1   97  10 o 46.233  4.7451  1203.40    234.241  1166.78    357.812  1230.87    309.869  44.180  7.7608  46.083  6.3794  -1.903011      10.04624  
1 1 1 1   97  11 o 13.118  6.0752  -150.2047  204.714  35.765     330.700  -265.7423  260.660  19.792  8.5211  13.877  6.5628  5.914901       10.75545  
1 1 1 1   97  12 o 24.748  1.4948  333.975    39.879   215.812    351.789  335.514    40.138   23.044  9.2460  24.804  1.5011  -1.760191      9.367103  
1 1 1 1   97  13 f 50.859  2.3400  1412.90    128.899  1172.76    407.195  1439.64    135.887  43.278  8.9810  51.318  2.4448  -8.040237      9.307850  
1 1 1 1   97  14 o 20.949  7.5743  231.949    220.670  -142.6306  387.518  411.702    268.446  18.867  8.5965  26.077  8.3785  -7.210442      12.00416  
1 1 1 1   97  15 o 45.473  5.2094  1183.29    251.944  1151.58    432.397  1199.59    310.005  42.300  9.6511  45.125  6.5328  -2.825806      11.65427  
1 1 1 1   98  0  o 26.299  6.8752  407.534    198.034  489.895    315.610  354.052    254.331  28.766  9.0682  24.941  8.1663  3.824799       12.20334  
1 1 1 1   98  1  o 46.878  4.2254  1221.94    212.232  918.125    300.911  1522.66    299.378  39.536  7.2958  51.971  5.3972  -12.43505      9.075126  
1 1 1 1   98  2  o 33.505  5.6921  644.628    199.170  558.295    278.746  734.681    284.687  30.479  8.2445  35.126  7.6957  -4.646601      11.27812  
1 1 1 1   98  3  o 39.425  4.8708  875.431    203.566  985.525    306.804  788.845    272.085  41.025  7.1654  36.628  7.1148  4.397160       10.09769  
1 1 1 1   98  4  o 106.310 3.2078  6190.08    369.366  6469.66    541.951  5947.56    504.754  108.028 4.6318  103.647 4.4963  4.381378       6.455252  
1 1 1 1   98  5  o 121.776 3.2853  8129.08    433.320  8101.91    633.952  8152.89    593.646  120.717 4.8486  121.303 4.5184  -0.5863037     6.627583  
1 1 1 1   98  6  o 32.818  6.2154  627.040    212.838  465.022    342.044  729.412    271.888  28.216  9.4783  35.025  7.3990  -6.808134      12.02433  
1 1 1 1   98  7  o 53.591  4.2802  1599.27    246.369  1355.88    350.818  1836.11    346.066  48.258  6.9090  56.869  5.6949  -8.611145      8.953561  
1 1 1 1   98  8  o 71.815  3.6311  2846.07    281.526  2775.98    402.619  2913.13    393.803  70.172  5.3374  72.025  5.0807  -1.852753      7.368893  
1 1 1 1   98  9  o 70.040  3.7424  2713.14    282.874  2861.15    407.226  2575.12    393.229  71.188  5.3199  67.462  5.4276  3.726349       7.600021  
1 1 1 1   98  10 o 24.432  1.1672  323.872    30.886   424.060    329.273  322.982    31.022   26.954  9.2955  24.398  1.1740  2.555853       9.369310  
1 1 1 1   98  11 o 26.432  7.3603  421.328    218.500  433.463    349.920  413.573    279.741  27.231  9.5716  26.315  8.5620  0.9159393      12.84224  
1 1 1 1   98  12 o 28.082  7.5943  480.862    236.545  332.107    360.143  593.723    313.698  25.221  9.5702  30.796  8.9020  -5.574987      13.07034  
1 1 1 1   98  13 o 66.788  3.9546  2483.52    284.798  2417.37    443.546  2529.92    371.496  64.471  6.4380  66.771  5.1773  -2.299576      8.261514  
1 1 1 1   98  14 o 67.229  2.8504  2479.91    207.550  2382.08    493.129  2500.97    228.803  63.314  7.3264  67.422  3.1332  -4.108696      7.968272  
1 1 1 1   99  0  o 82.481  3.1587  3724.78    282.187  3888.94    419.593  3589.22    381.296  83.630  4.6507  80.447  4.3927  3.182999       6.397186  
1 1 1 1   99  1  f 36.853  5.0170  768.550    195.052  695.790    284.843  832.791    267.650  34.080  7.8749  37.768  6.7927  -3.687649      10.39977  
1 1 1 1   99  2  o 56.831  3.7988  1784.79    232.486  1690.69    326.636  1881.41    330.977  54.673  5.5948  57.804  5.3471  -3.131008      7.739061  
1 1 1 1   99  3  o 71.224  3.4664  2784.49    267.404  2585.31    382.786  2974.32    373.711  67.862  5.2487  73.042  4.7496  -5.180519      7.078683  
1 1 1 1   99  4  o 72.265  3.4561  2867.15    270.508  2497.65    384.096  3230.78    381.034  66.617  5.3689  76.165  4.6410  -9.548409      7.096802  
1 1 1 1   99  5  o 72.865  3.4189  2915.16    269.821  2875.70    401.081  2947.77    364.681  71.556  5.2109  72.712  4.6550  -1.156174      6.987308  
1 1 1 1   99  6  o 39.810  5.0612  897.593    213.294  909.772    324.166  888.295    283.244  38.930  7.9567  38.871  6.9844  0.5895233E-01  10.58731  
1 1 1 1   99  7  o 78.858  3.4832  3419.11    297.504  3249.76    424.549  3582.51    417.019  76.030  5.1865  80.033  4.8335  -4.003120      7.089598  
1 1 1 1   99  8  f 26.874  7.4950  433.413    226.388  321.639    337.794  524.554    305.029  24.956  9.3112  29.315  8.8581  -4.359129      12.85161  
1 1 1 1   99  9  o 23.913  7.6295  333.880    222.893  108.901    323.494  537.224    307.547  20.770  8.6581  29.574  8.8852  -8.803772      12.40604  
1 1 1 1   99  10 o 21.958  7.4113  271.166    209.133  337.163    334.850  228.958    267.783  25.105  9.2895  21.809  8.2578  3.296352       12.42923  
1 1 1 1   99  11 o 22.365  7.5580  283.722    217.496  -93.5226   351.597  517.559    276.815  18.566  8.3500  28.980  8.3581  -10.41451      11.81439  
1 1 1 1   99  12 o 45.401  5.3030  1178.33    255.857  1322.13    387.934  1067.63    340.384  46.707  7.9535  41.974  7.7734  4.732132       11.12130  
1 1 1 1   99  13 o 54.878  4.5459  1694.53    267.769  1915.65    432.303  1556.89    341.074  56.866  7.1788  51.763  6.2074  5.102943       9.490396  
1 1 1 1   100 0  o 38.347  5.9505  845.790    239.140  632.734    354.392  1023.91    324.034  32.115  9.5130  41.645  7.4578  -9.529850      12.08780  
1 1 1 1   100 1  o 43.662  4.5593  1067.80    212.430  1076.93    299.036  1058.50    301.827  43.093  6.6186  42.657  6.7579  0.4351311      9.459140  
1 1 1 1   100 2  o 106.811 3.1428  6249.33    363.583  6162.95    520.631  6331.56    507.970  105.410 4.5601  106.937 4.3857  -1.527069      6.326881  
1 1 1 1   100 3  o 45.252  4.4080  1144.24    213.305  1123.98    320.002  1160.43    286.147  43.875  6.9667  44.994  6.0228  -1.119083      9.209197  
1 1 1 1   100 4  o 91.789  3.2446  4620.31    322.571  4364.41    458.989  4870.04    453.432  88.433  4.8101  93.715  4.4672  -5.281807      6.564520  
1 1 1 1   100 5  o 88.030  3.4076  4256.66    324.903  3887.97    479.268  4570.19    441.961  83.123  5.3518  90.741  4.4968  -7.618179      6.990241  
1 1 1 1   100 6  o 34.352  6.0351  685.672    216.351  555.967    349.133  766.529    275.658  30.162  9.5408  35.847  7.3467  -5.684683      12.04166  
1 1 1 1   100 7  f 21.781  7.4550  261.344    211.635  108.772    338.268  359.477    271.290  21.155  8.8390  25.025  8.4411  -3.869661      12.22213  
1 1 1 1   100 8  o 33.249  6.7026  654.595    233.039  575.283    348.422  718.795    313.474  30.499  9.5143  34.157  8.5058  -3.657936      12.76208  
1 1 1 1   100 9  o 61.696  4.0516  2117.79    269.238  2193.74    389.473  2048.28    372.607  61.908  5.8790  59.835  5.8232  2.073166       8.274803  
1 1 1 1   100 10 o 19.968  7.3558  198.788    209.524  -102.9649  335.071  392.538    268.492  18.017  8.1229  25.698  8.3894  -7.680315      11.67750  
1 1 1 1   100 11 o 54.048  4.5550  1641.98    264.164  1449.96    399.484  1791.19    352.147  49.115  7.7680  55.790  5.9181  -6.675266      9.765501  
1 1 1 1   100 12 o 45.523  5.1830  1181.79    250.996  1432.16    410.540  1032.35    317.179  48.568  8.0888  41.502  7.3239  7.066368       10.91181  
1 1 1 1   101 0  o 29.621  7.2503  523.703    230.729  828.624    423.153  394.689    275.246  36.258  10.295  26.045  8.4939  10.21349       13.34640  
1 1 1 1   101 1  o 76.560  3.7264  3227.30    309.000  3592.75    478.656  2966.19    404.602  79.799  5.5730  72.680  5.1735  7.118965       7.604204  
1 1 1 1   101 2  o 102.201 3.2352  5728.61    358.121  5891.05    515.172  5576.71    498.176  102.969 4.6193  100.200 4.5903  2.768936       6.512243  
1 1 1 1   101 3  o 75.800  3.4072  3156.43    279.727  3253.49    423.763  3081.48    372.386  76.097  5.1721  74.307  4.6503  1.789574       6.955326  
1 1 1 1   101 4  o 32.289  6.1773  608.898    208.162  825.219    333.168  470.379    266.605  36.739  8.5355  27.946  8.2438  8.792850       11.86658  
1 1 1 1   101 5  o 17.537  7.1556  85.529     214.749  6.8207     335.878  139.952    279.293  19.598  8.5121  20.337  8.2107  -0.7383251     11.82671  
1 1 1 1   101 6  f 15.516  6.7533  -14.2147   212.304  20.322     332.002  -38.1077   276.143  19.664  8.5016  17.240  7.5970  2.423124       11.40139  
1 1 1 1   101 7  o 30.877  6.7543  567.037    219.597  351.500    349.792  707.245    282.121  25.655  9.4942  34.150  7.7986  -8.495131      12.28649  
1 1 1 1   101 8  o 20.948  7.6384  224.120    225.115  269.348    338.211  188.145    301.640  23.852  9.2180  21.652  8.6036  2.199528       12.60930  
1 1 1 1   101 9  o 54.376  4.2797  1653.53    250.012  1270.22    349.050  2057.36    358.273  46.282  7.1970  60.061  5.5708  -13.77915      9.101144  
1 1 1 1   101 10 o 54.407  4.2789  1655.75    250.113  1316.93    386.221  1900.47    328.237  46.721  7.9149  57.838  5.2985  -11.11741      9.524724  
1 1 1 1   101 11 o 26.213  7.7469  415.771    235.241  498.072    361.841  355.521    309.597  28.619  9.7481  25.129  8.9852  3.490034       13.25741  
1 1 1 1   102 0  o 33.212  6.8226  652.071    237.211  713.020    379.200  612.887    304.047  33.773  9.7945  31.636  8.6328  2.137714       13.05599  
1 1 1 1   102 1  o 29.998  7.5898  541.750    246.790  371.046    436.927  621.724    299.064  27.245  10.492  31.883  8.5039  -4.637295      13.50540  
1 1 1 1   102 2  o 80.799  3.6388  3595.10    318.448  3377.94    495.831  3747.57    415.461  77.038  5.9894  81.919  4.7022  -4.880302      7.614711  
1 1 1 1   102 3  o 56.048  4.0796  1746.19    245.955  1442.49    354.472  2028.16    341.555  49.802  6.7450  59.906  5.3194  -10.10343      8.590193  
1 1 1 1   102 4  o 34.514  5.9392  691.181    214.013  736.265    313.232  651.709    293.092  34.666  8.4249  32.653  8.2764  2.013485       11.81009  
1 1 1 1   102 5  o 47.496  4.6039  1266.97    233.863  1328.96    339.031  1210.70    323.015  47.723  6.7471  45.510  6.7583  2.212650       9.549784  
1 1 1 1   102 6  o 51.297  4.3862  1472.29    241.353  1848.82    355.190  1149.31    328.966  56.855  5.8515  44.117  7.1276  12.73827       9.221904  
1 1 1 1   102 7  o 23.797  7.3413  333.688    208.098  472.797    318.255  229.791    275.042  27.978  9.1338  21.977  8.3575  6.001823       12.38045  
1 1 1 1   102 8  o 29.830  7.0119  534.417    222.725  610.656    318.218  461.205    311.839  31.310  8.9405  27.648  9.0421  3.662474       12.71583  
1 1 1 1   102 9  o 19.551  7.3134  182.463    208.652  314.119    372.898  122.455    251.751  25.153  9.6908  19.220  7.7829  5.932583       12.42918  
1 1 1 1   102 10 o 33.392  6.4625  659.209    225.279  722.283    374.599  623.473    281.966  33.671  9.7263  31.817  8.1470  1.854347       12.68756  
1 1 1 1   103 0  o 16.149  7.1280  -43.0239   244.116  -218.7467  433.206  38.739     295.500  19.490  8.9584  18.986  8.1114  0.5038948      12.08499  
1 1 1 1   103 1  o 29.802  7.6916  536.889    249.954  547.208    390.884  529.751    325.111  30.068  10.132  29.474  9.1899  0.5941906      13.67910  
1 1 1 1   103 2  o 109.700 3.3623  6614.08    399.503  6615.77    605.947  6612.78    531.340  108.648 5.1493  109.060 4.4982  -0.4119415     6.837296  
1 1 1 1   103 3  o 125.448 3.3629  8650.61    456.921  8544.51    659.302  8748.66    633.817  123.633 4.9236  125.298 4.6704  -1.664452      6.786302  
1 1 1 1   103 4  f 122.715 3.3647  8280.15    447.213  7990.13    641.157  8554.93    624.096  119.499 4.9537  123.887 4.6511  -4.387299      6.794979  
1 1 1 1   103 5  o 39.188  5.7052  884.510    235.050  708.310    350.467  1028.56    316.885  33.609  9.3084  41.588  7.3013  -7.979366      11.83028  
1 1 1 1   103 6  o 61.401  4.1179  2098.97    272.271  1847.05    387.181  2345.42    382.951  56.476  6.4451  64.221  5.5604  -7.744965      8.512219  
1 1 1 1   103 7  o 40.423  5.4535  936.250    232.676  1086.80    342.564  807.311    317.025  42.536  7.7199  36.291  8.2520  6.245235       11.30007  
1 1 1 1   103 8  o 16.364  6.9388  32.401     213.373  180.165    357.840  -49.1209   265.793  22.616  9.2336  16.706  7.4026  5.910408       11.83457  
1 1 1 1   104 0  o 36.529  6.3799  780.699    243.229  1014.88    366.246  595.919    325.332  40.700  8.5786  31.030  9.0933  9.669998       12.50123  
1 1 1 1   104 1  o 18.170  7.5156  80.702     241.051  86.124     382.050  77.116     310.702  21.765  9.2590  19.962  8.4135  1.803694       12.51066  
1 1 1 1   104 2  o 29.527  7.8239  529.588    254.229  486.765    439.842  551.073    311.542  29.129  10.669  29.929  8.9317  -0.7997360     13.91382  
1 1 1 1   104 3  o 54.529  4.0753  1655.37    238.952  1899.16    356.191  1455.87    322.217  57.666  5.7807  50.306  6.0341  7.359909       8.356245  
1 1 1 1   104 4  o 13.011  6.0133  -141.7505  199.038  -198.4674  291.053  -91.9252   272.797  15.642  7.2442  16.356  7.3556  -0.7136002     10.32391  
1 1 1 1   104 5  o 52.073  4.2809  1514.83    239.307  1508.46    344.007  1520.80    333.117  51.048  6.3597  51.386  6.1047  -0.3376770     8.815471  
1 1 1 1   104 6  o 17.985  7.2720  102.593    219.428  210.136    299.634  -21.7836   322.234  22.049  8.6329  18.765  8.2396  3.283167       11.93386  
1 1 1 1   104 7  o 41.936  5.5849  1009.08    247.364  718.277    348.271  1305.12    351.401  33.829  9.2427  47.026  7.1221  -13.19719      11.66843  
1 1 1 1   105 0  o 24.943  7.6759  368.098    227.655  536.878    352.159  246.926    298.387  29.653  9.6037  22.807  8.6974  6.846489       12.95669  
1 1 1 1   105 1  o 33.564  6.9514  669.958    244.392  458.058    399.354  796.830    309.013  28.280  10.195  36.190  8.0871  -7.910215      13.01290  
1 1 1 1   105 2  f 99.765  3.4968  5479.06    377.845  5319.04    566.184  5607.55    507.350  97.075  5.4064  100.291 4.6706  -3.216148      7.144465  
1 1 1 1   105 3  o 81.584  3.4074  3661.37    301.092  3607.23    456.416  3703.09    400.633  79.948  5.3010  81.433  4.5607  -1.485077      6.992851  
1 1 1 1   105 4  o 94.854  3.3639  4947.93    345.596  4899.03    505.783  4990.75    473.324  93.395  5.0184  94.627  4.6182  -1.232155      6.819990  
1 1 1 1   105 5  o 47.671  4.9178  1283.57    250.269  1129.56    361.220  1425.74    347.072  43.275  8.0013  49.471  6.6454  -6.195499      10.40104  
1 1 1 1   106 0  o 47.987  4.9116  1299.31    251.680  1276.87    383.233  1316.32    333.736  46.142  7.9556  47.530  6.6662  -1.388119      10.37934  
1 1 1 1   106 1  o 30.395  8.0671  563.040    269.992  339.634    399.102  751.556    366.616  26.106  10.034  34.601  9.4952  -8.495491      13.81456  
1 1 1 2   0   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   1  o 75.638  3.3627  3116.95    274.248  3116.95    274.248  3116.95    274.248  75.638  3.3627  75.638  3.3627  0.000000       0.000000  
1 1 1 2   0   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   7  o 86.150  3.5454  4040.54    329.543  4040.54    329.543  4040.54    329.543  86.150  3.5454  86.150  3.5454  0.000000       0.000000  
1 1 1 2   0   8  o 153.857 4.5696  12857.96   759.970  12857.96   759.970  12857.96   759.970  153.857 4.5696  153.857 4.5696  0.000000       0.000000  
1 1 1 2   0   9  f 52.097  3.4095  1488.86    190.500  1488.86    190.500  1488.86    190.500  52.097  3.4095  52.097  3.4095  0.000000       0.000000  
1 1 1 2   0   10 o 632.317 14.799  217288.91  10122.88 217288.91  10122.88 217288.91  10122.88 632.317 14.799  632.317 14.799  0.000000       0.000000  
1 1 1 2   0   11 o 208.600 5.6052  23621.94   1264.35  23621.94   1264.35  23621.94   1264.35  208.600 5.6052  208.600 5.6052  0.000000       0.000000  
1 1 1 2   0   12 o 111.981 4.0130  6817.93    485.305  6817.93    485.305  6817.93    485.305  111.981 4.0130  111.981 4.0130  0.000000       0.000000  
1 1 1 2   0   13 o 208.180 5.5818  23527.66   1256.54  23527.66   1256.54  23527.66   1256.54  208.180 5.5818  208.180 5.5818  0.000000       0.000000  
1 1 1 2   0   14 o 424.308 14.458  98065.20   6627.19  98065.20   6627.19  98065.20   6627.19  424.308 14.458  424.308 14.458  0.000000       0.000000  
1 1 1 2   0   15 o 427.522 10.254  99304.98   4741.85  99304.98   4741.85  99304.98   4741.85  427.522 10.254  427.522 10.254  0.000000       0.000000  
1 1 1 2   0   16 o 117.268 4.2496  7479.16    538.144  7479.16    538.144  7479.16    538.144  117.268 4.2496  117.268 4.2496  0.000000       0.000000  
1 1 1 2   0   17 o 203.665 6.4036  22552.46   1409.42  22552.46   1409.42  22552.46   1409.42  203.665 6.4036  203.665 6.4036  0.000000       0.000000  
1 1 1 2   0   18 o 318.313 7.8981  55076.20   2719.22  55076.20   2719.22  55076.20   2719.22  318.313 7.8981  318.313 7.8981  0.000000       0.000000  
1 1 1 2   0   19 o 151.039 4.6871  12399.69   765.098  12399.69   765.098  12399.69   765.098  151.039 4.6871  151.039 4.6871  0.000000       0.000000  
1 1 1 2   0   20 o 146.384 4.6375  11649.70   733.600  11649.70   733.600  11649.70   733.600  146.384 4.6375  146.384 4.6375  0.000000       0.000000  
1 1 1 2   0   21 o 222.904 6.6339  27034.76   1598.40  27034.76   1598.40  27034.76   1598.40  222.904 6.6339  222.904 6.6339  0.000000       0.000000  
1 1 1 2   0   22 o 140.225 4.5862  10694.95   694.855  10694.95   694.855  10694.95   694.855  140.225 4.5862  140.225 4.5862  0.000000       0.000000  
1 1 1 2   0   23 o 149.240 4.6769  12114.53   754.302  12114.53   754.302  12114.53   754.302  149.240 4.6769  149.240 4.6769  0.000000       0.000000  
1 1 1 2   0   24 o 95.081  3.7607  4924.73    385.912  4924.73    385.912  4924.73    385.912  95.081  3.7607  95.081  3.7607  0.000000       0.000000  
1 1 1 2   0   25 o 123.537 4.3491  8314.36    580.290  8314.36    580.290  8314.36    580.290  123.537 4.3491  123.537 4.3491  0.000000       0.000000  
1 1 1 2   0   26 o 133.304 4.4677  9689.16    643.409  9689.16    643.409  9689.16    643.409  133.304 4.4677  133.304 4.4677  0.000000       0.000000  
1 1 1 2   0   27 o 211.899 5.7719  24568.02   1322.47  24568.02   1322.47  24568.02   1322.47  211.899 5.7719  211.899 5.7719  0.000000       0.000000  
1 1 1 2   0   28 o 112.113 4.5652  6884.25    552.258  6884.25    552.258  6884.25    552.258  112.113 4.5652  112.113 4.5652  0.000000       0.000000  
1 1 1 2   0   29 f 80.335  4.4366  3553.83    383.339  3553.83    383.339  3553.83    383.339  80.335  4.4366  80.335  4.4366  0.000000       0.000000  
1 1 1 2   0   30 o 202.090 5.6804  22520.59   1241.12  22520.59   1241.12  22520.59   1241.12  202.090 5.6804  202.090 5.6804  0.000000       0.000000  
1 1 1 2   0   31 o 19.116  10.259  305.997    292.356  305.997    292.356  305.997    292.356  19.116  10.259  19.116  10.259  0.000000       0.000000  
1 1 1 2   0   32 o 41.132  8.2187  1055.61    324.922  1055.61    324.922  1055.61    324.922  41.132  8.2187  41.132  8.2187  0.000000       0.000000  
1 1 1 2   0   33 o 28.275  10.883  635.761    315.665  635.761    315.665  635.761    315.665  28.275  10.883  28.275  10.883  0.000000       0.000000  
1 1 1 2   0   34 o 9.4612  6.7195  -340.3430  293.163  -340.3430  293.163  -340.3430  293.163  9.4612  6.7195  9.4612  6.7195  0.000000       0.000000  
1 1 1 2   0   35 o 19.531  11.318  377.767    390.522  377.767    390.522  377.767    390.522  19.531  11.318  19.531  11.318  0.000000       0.000000  
1 1 1 2   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   0  o 200.261 5.3933  21729.65   1169.84  22035.98   1654.41  21423.32   1654.39  201.618 7.5761  198.793 7.6836  2.825302       10.79048  
1 1 1 2   1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   5  o 345.249 6.8627  64614.85   2566.24  63560.87   4444.86  65141.84   3143.00  342.075 11.997  346.570 8.3730  -4.495392      14.62982  
1 1 1 2   1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   8  o 454.654 8.3556  112205.90  4114.63  108913.40  5385.59  116822.40  6377.23  447.534 11.111  463.204 12.711  -15.67056      16.88259  
1 1 1 2   1   9  o 593.609 13.951  191719.50  8969.97  0.0000     0.0000   191719.50  8969.97  ?       ?       593.609 13.951  0.000000       13.95147  
1 1 1 2   1   10 o 267.570 4.7829  38787.13   1386.13  39339.93   1960.28  38234.33   1960.28  269.419 6.7177  265.603 6.8142  3.815796       9.568735  
1 1 1 2   1   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   12 o 128.738 2.9595  8976.79    412.660  8818.37    583.396  9135.43    583.783  127.588 4.2217  129.862 4.1505  -2.274109      5.920238  
1 1 1 2   1   13 o 749.326 13.137  305071.31  10662.31 306616.09  16587.41 303983.50  13918.77 749.487 20.434  747.118 17.201  2.368408       26.70934  
1 1 1 2   1   14 o 358.072 8.7127  69553.18   3379.03  72901.00   4778.89  66205.95   4778.46  366.305 12.045  349.023 12.640  17.28247       17.46048  
1 1 1 2   1   15 o 770.858 16.655  324420.00  13905.60 347079.59  33805.22 319805.00  15256.07 781.487 40.073  764.667 18.420  16.81982       44.10421  
1 1 1 2   1   16 o 309.174 5.4189  51823.78   1814.63  52698.69   2566.24  50948.82   2566.31  311.606 7.6036  306.377 7.7336  5.228638       10.84546  
1 1 1 2   1   17 o 276.008 4.9307  41305.24   1474.03  41012.95   2084.34  41597.67   2084.83  274.862 7.0014  276.819 6.9535  -1.957001      9.867646  
1 1 1 2   1   18 o 338.815 6.3058  62317.54   2314.06  62401.71   3041.01  62201.75   3566.64  338.748 8.2884  337.938 9.7443  0.8103943      12.79256  
1 1 1 2   1   19 o 144.334 3.2303  11290.25   504.991  11133.98   713.736  11446.89   714.596  143.276 4.5993  145.278 4.5414  -2.002167      6.463620  
1 1 1 2   1   20 o 381.952 6.5437  79287.29   2707.07  78807.30   3828.25  79767.33   3828.50  380.107 9.2987  382.432 9.2428  -2.324585      13.11092  
1 1 1 2   1   21 o 141.083 3.3177  10790.52   506.970  10773.13   737.649  10806.09   697.926  140.888 4.8340  141.120 4.5662  -0.2320557     6.649621  
1 1 1 2   1   22 o 168.143 3.6694  15333.42   668.261  15492.03   902.922  15141.31   993.717  168.910 4.9354  166.933 5.4960  1.976364       7.386816  
1 1 1 2   1   23 o 100.896 2.8614  5518.94    312.691  4775.59    456.594  6175.49    429.109  93.781  4.4951  106.690 3.7134  -12.90809      5.830590  
1 1 1 2   1   24 o 84.024  2.9644  3829.11    269.783  4143.98    381.835  3515.24    381.228  87.354  4.0357  80.314  4.3992  7.039566       5.969960  
1 1 1 2   1   25 o 76.196  2.5677  3149.19    211.907  3042.67    267.423  3328.95    347.391  74.858  3.2983  78.135  4.1195  -3.277557      5.277200  
1 1 1 2   1   26 o 109.118 2.9762  6468.14    351.741  6465.00    497.248  6471.28    497.626  108.923 4.2149  108.975 4.2160  -0.5274963E-01 5.961555  
1 1 1 2   1   27 o 82.349  2.9182  3687.76    260.283  4083.96    368.609  3293.76    367.584  86.513  3.9338  77.500  4.3972  9.012665       5.900019  
1 1 1 2   1   28 o 100.284 3.2111  5481.06    348.784  5434.12    492.255  5528.38    494.260  99.532  4.5662  100.397 4.5453  -0.8653717     6.442859  
1 1 1 2   1   29 o 29.747  6.5808  513.820    206.410  773.774    291.325  251.774    292.495  36.348  7.6425  23.267  8.6677  13.08024       11.55579  
1 1 1 2   1   30 o 51.621  4.3254  1479.41    239.605  1615.82    338.139  1341.83    339.570  53.404  5.9469  48.337  6.6632  5.067326       8.931035  
1 1 1 2   1   31 o 61.150  3.8183  2069.25    251.629  1947.40    354.377  2193.16    357.356  58.574  5.6562  62.336  5.3445  -3.762600      7.781838  
1 1 1 2   1   32 o 61.012  3.9075  2070.41    256.863  1643.30    362.492  2501.16    364.030  53.133  6.4298  66.491  5.0935  -13.35857      8.202777  
1 1 1 2   1   33 o 60.848  3.9786  2076.41    260.765  2095.46    368.350  2057.28    369.207  60.042  5.7338  59.436  5.8095  0.6061745      8.162509  
1 1 1 2   1   34 o 57.078  2.2000  1790.20    136.005  1936.54    387.182  1769.60    145.262  56.092  6.4930  56.684  2.3660  -0.5924225     6.910699  
1 1 1 2   1   35 f 28.947  10.169  656.783    394.938  562.594    705.071  699.847    476.749  27.106  12.032  29.072  11.016  -1.965509      16.31297  
1 1 1 2   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   4  o 344.780 8.1795  64452.99   3054.47  76018.92   4320.09  52891.55   4319.25  374.283 10.657  312.061 12.779  62.22192       16.63943  
1 1 1 2   2   5  o 122.061 2.8613  8069.88    378.277  8422.52    522.758  7682.27    548.066  124.690 3.8708  119.081 4.2493  5.609314       5.748023  
1 1 1 2   2   6  o 256.384 4.6147  35618.46   1281.46  35826.21   1812.26  35410.72   1812.27  257.056 6.5091  255.559 6.5473  1.496674       9.232306  
1 1 1 2   2   7  o 436.192 7.3019  103231.70  3449.74  101277.10  4878.57  105186.40  4878.77  431.620 10.436  439.902 10.240  -8.282898      14.62031  
1 1 1 2   2   8  o 108.170 2.7349  6338.15    320.414  6510.05    453.064  6166.15    453.204  109.614 3.8161  106.678 3.9224  2.936028       5.472450  
1 1 1 2   2   9  o 431.206 7.2777  100822.30  3398.97  100812.90  4806.75  100831.80  4806.98  430.913 10.299  430.953 10.298  -0.4022217E-01 14.56455  
1 1 1 2   2   10 o 316.832 6.3748  54399.98   2187.59  55036.30   2679.20  53127.23   3789.12  318.626 7.7634  312.878 11.181  5.748016       13.61225  
1 1 1 2   2   11 o 654.450 13.003  232567.41  9216.70  228353.00  10949.17 242814.41  17073.18 648.115 15.598  666.670 23.645  -18.55585      28.32590  
1 1 1 2   2   12 o 235.695 4.6408  30095.43   1184.71  29304.35   1569.49  31143.14   1806.21  232.543 6.2314  239.708 6.9569  -7.165329      9.339632  
1 1 1 2   2   13 o 812.166 13.290  358413.91  11691.02 360257.91  16533.70 356569.81  16533.49 812.898 18.779  808.699 18.876  4.199707       26.62584  
1 1 1 2   2   14 o 648.816 21.620  230362.41  15192.87 230362.41  15192.87 0.0000     0.0000   648.816 21.620  ?       ?       0.000000       21.61961  
1 1 1 2   2   15 o 349.599 7.5742  66299.85   2867.97  61974.27   6684.13  67275.89   3175.09  336.121 18.431  352.101 8.3257  -15.97998      20.22381  
1 1 1 2   2   16 o 256.927 5.4585  35788.95   1518.97  34407.35   2147.60  37171.95   2148.70  251.765 7.8757  261.707 7.5804  -9.941727      10.93107  
1 1 1 2   2   17 o 266.444 4.7911  38489.80   1382.64  37527.08   1954.87  39453.45   1955.81  262.934 6.8644  269.613 6.6976  -6.679199      9.590455  
1 1 1 2   2   18 o 262.018 4.7303  37229.95   1342.43  36449.43   1898.02  38011.23   1898.95  259.074 6.7640  264.581 6.6265  -5.506958      9.469038  
1 1 1 2   2   19 o 377.826 6.4753  77543.43   2649.85  79113.26   3747.48  75973.63   3747.44  381.073 9.0795  373.388 9.2662  7.684235       12.97306  
1 1 1 2   2   20 o 148.757 3.3627  11995.13   541.795  12220.50   741.206  11736.55   793.938  150.089 4.5595  147.062 4.9844  3.026657       6.755282  
1 1 1 2   2   21 o 72.248  2.5714  2828.52    201.218  2910.77    329.654  2779.68    254.030  73.134  4.1790  71.607  3.2754  1.526962       5.309618  
1 1 1 2   2   22 o 238.827 4.7063  30964.44   1217.41  27941.95   1849.74  33274.13   1616.98  226.441 7.5420  247.380 6.0349  -20.93983      9.659281  
1 1 1 2   2   23 o 143.876 3.2435  11225.89   505.446  11153.89   712.182  11298.96   717.465  143.315 4.5881  144.244 4.5923  -0.9285889     6.491521  
1 1 1 2   2   24 o 74.540  2.6221  3012.55    211.697  3099.87    346.649  2960.62    267.340  75.420  4.2610  73.868  3.3415  1.552750       5.414949  
1 1 1 2   2   25 o 62.438  3.0042  2115.90    203.165  2000.18    276.294  2252.12    299.779  60.495  4.2437  64.197  4.3368  -3.701897      6.067698  
1 1 1 2   2   26 o 69.867  2.4686  2649.15    186.808  2816.22    230.132  2326.39    319.869  72.003  2.9509  65.149  4.5619  6.854332       5.433122  
1 1 1 2   2   27 o 73.991  2.9392  2977.34    235.548  3061.47    332.749  2892.83    333.484  74.765  4.1251  72.644  4.2570  2.121216       5.927769  
1 1 1 2   2   28 o 154.070 3.4492  12949.89   575.588  12673.07   813.195  13227.80   814.816  151.830 4.9450  155.162 4.8485  -3.332153      6.925371  
1 1 1 2   2   29 o 26.130  7.0428  397.429    203.841  109.040    286.210  694.293    290.385  20.273  8.2652  34.311  7.9668  -14.03823      11.47973  
1 1 1 2   2   30 o 84.096  3.3280  3871.84    303.128  4455.85    428.283  3285.61    429.094  89.852  4.4008  76.712  5.1950  13.13941       6.808455  
1 1 1 2   2   31 o 34.343  2.1581  644.923    79.869   629.740    82.673   857.417    309.284  33.918  2.2634  37.798  7.8130  -3.879230      8.134237  
1 1 1 2   2   32 o 59.626  2.2483  1940.11    145.197  1457.53    346.057  2043.22    159.957  49.935  6.5570  61.154  2.4150  -11.21909      6.987539  
1 1 1 2   2   33 o 17.492  2.1226  169.586    39.391   325.419    322.107  167.220    39.689   24.146  9.0760  17.362  2.1571  6.784197       9.328792  
1 1 1 2   2   34 o 31.185  1.3951  529.774    47.123   489.919    281.344  530.924    47.798   26.798  8.5740  31.216  1.4137  -4.418261      8.689809  
1 1 1 2   2   35 o 24.058  9.8813  378.814    412.884  0.0000     0.0000   378.814    412.884  ?       ?       24.058  9.8813  0.000000       9.881319  
1 1 1 2   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   0  o 92.969  2.5449  4681.27    256.256  4737.54    362.407  4625.01    362.395  93.521  3.5778  92.403  3.6210  1.117661       5.090408  
1 1 1 2   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   2  o 271.008 9.6631  39838.87   2836.39  0.0000     0.0000   39838.87   2836.39  ?       ?       271.008 9.6631  0.000000       9.663055  
1 1 1 2   3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   7  o 382.133 7.5140  79239.09   3109.96  77098.58   5386.40  80309.47   3808.99  376.147 13.221  384.520 9.1458  -8.372437      16.07623  
1 1 1 2   3   8  o 489.042 9.3988  129894.50  4978.40  122170.30  6097.06  145346.09  8623.45  473.869 11.879  516.048 15.428  -42.17886      19.47188  
1 1 1 2   3   9  o 562.031 18.791  172483.91  11438.77 172483.91  11438.77 0.0000     0.0000   562.031 18.791  ?       ?       0.000000       18.79095  
1 1 1 2   3   10 o 552.421 10.972  165603.09  6565.00  156350.70  9283.93  174857.09  9284.68  536.153 15.987  567.127 15.115  -30.97388      22.00145  
1 1 1 2   3   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   12 o 243.053 5.1254  32006.26   1349.28  32211.55   2336.93  31903.60   1652.56  243.723 8.8528  242.635 6.2883  1.087723       10.85882  
1 1 1 2   3   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   14 o 500.785 16.827  136679.20  9126.95  136679.20  9126.95  0.0000     0.0000   500.785 16.827  ?       ?       0.000000       16.82690  
1 1 1 2   3   15 o 355.530 7.0608  68553.98   2718.95  73536.02   4709.42  66063.05   3330.00  367.734 11.824  348.868 8.8128  18.86606       14.74692  
1 1 1 2   3   16 o 225.407 4.4641  27536.33   1089.86  27898.26   1654.44  27258.86   1448.59  226.774 6.7358  224.202 5.9654  2.572098       8.997548  
1 1 1 2   3   17 o 144.573 3.4522  11325.81   540.564  12078.87   763.910  10570.53   765.036  149.263 4.7252  139.622 5.0589  9.641510       6.922451  
1 1 1 2   3   18 o 380.979 6.5131  78806.31   2687.56  78639.07   3800.50  78973.59   3801.06  380.082 9.2319  380.894 9.2136  -0.8114624     13.04298  
1 1 1 2   3   19 o 223.126 4.4949  27000.93   1086.28  26474.51   1648.53  27404.90   1444.13  220.721 6.8958  224.666 5.9347  -3.945419      9.097936  
1 1 1 2   3   20 o 131.013 3.2022  9303.33    454.392  9597.06    652.657  9027.03    633.008  133.008 4.5304  128.997 4.5306  4.010544       6.407123  
1 1 1 2   3   21 o 307.976 5.4079  51507.71   1803.90  49860.13   2549.97  53158.21   2552.23  302.564 7.7812  312.465 7.5413  -9.900543      10.83601  
1 1 1 2   3   22 o 117.153 3.0246  7440.23    383.794  6975.64    538.684  7919.19    546.945  113.374 4.3868  120.810 4.1799  -7.436264      6.059399  
1 1 1 2   3   23 o 57.858  2.4597  1814.30    154.141  1837.44    294.888  1805.60    180.808  57.971  4.7379  57.637  2.9057  0.3343735      5.557961  
1 1 1 2   3   24 o 151.992 3.3160  12534.38   545.886  12475.09   769.200  12594.53   774.828  151.488 4.6880  152.210 4.6999  -0.7219849     6.638293  
1 1 1 2   3   25 o 171.204 3.5621  15922.46   660.531  16013.53   932.974  15830.92   935.292  171.431 5.0247  170.442 5.0664  0.9889526      7.135543  
1 1 1 2   3   26 o 149.638 3.4441  12176.84   558.195  11978.24   817.283  12350.48   764.203  148.047 5.0969  150.434 4.6902  -2.387314      6.926477  
1 1 1 2   3   27 o 110.376 2.9888  6626.68    357.309  6957.50    506.462  6298.84    504.169  112.871 4.1428  107.353 4.3360  5.518402       5.997013  
1 1 1 2   3   28 o 52.709  1.8948  1507.89    108.170  686.563    287.044  1643.82    116.779  34.304  7.8901  55.029  1.9593  -20.72510      8.129748  
1 1 1 2   3   29 o 64.375  3.6361  2274.92    252.492  2202.69    355.530  2348.41    358.645  62.878  5.2690  64.982  5.1376  -2.103661      7.359171  
1 1 1 2   3   30 o 42.264  4.9612  1003.36    222.786  1261.92    313.528  739.670    316.628  46.982  6.3218  35.093  8.4348  11.88938       10.54090  
1 1 1 2   3   31 o 43.479  1.9725  1028.71    92.888   650.966    311.141  1065.67    97.327   32.587  8.6654  44.246  2.0309  -11.65899      8.900165  
1 1 1 2   3   32 f 45.755  2.1689  1141.87    107.488  1102.21    323.410  1146.79    113.967  43.006  7.1974  45.776  2.3060  -2.770157      7.557832  
1 1 1 2   3   33 o 27.788  7.6576  483.375    237.867  682.667    327.966  262.191    345.510  32.352  9.0204  23.242  9.2167  9.110580       12.89632  
1 1 1 2   3   34 o 42.471  2.2899  995.180    104.947  1064.52    523.360  992.274    107.122  36.074  11.710  42.391  2.3422  -6.316513      11.94179  
1 1 1 2   3   35 o 19.107  8.6893  8.4115     393.539  0.0000     0.0000   8.4115     393.539  ?       ?       19.107  8.6893  0.000000       8.689294  
1 1 1 2   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   0  o 290.467 10.243  45774.41   3222.59  0.0000     0.0000   45774.41   3222.59  ?       ?       290.467 10.243  0.000000       10.24323  
1 1 1 2   4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   9  o 578.142 13.558  181779.09  8489.80  0.0000     0.0000   181779.09  8489.80  ?       ?       578.142 13.558  0.000000       13.55792  
1 1 1 2   4   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   11 o 187.768 3.6647  19097.39   745.292  18661.56   1053.86  19533.45   1054.14  185.592 5.2427  189.880 5.1256  -4.287903      7.331992  
1 1 1 2   4   12 o 684.483 13.442  254508.91  9965.74  256725.50  14093.78 252292.41  14093.60 686.414 18.957  680.425 19.124  5.988831       26.92742  
1 1 1 2   4   13 o 628.310 11.257  214308.50  7660.69  210508.30  10007.15 219688.00  11906.37 622.157 14.850  635.100 17.309  -12.94263      22.80637  
1 1 1 2   4   14 o 300.387 10.931  48997.88   3556.54  48997.88   3556.54  0.0000     0.0000   300.387 10.931  ?       ?       0.000000       10.93143  
1 1 1 2   4   15 o 770.530 14.667  323587.41  12240.65 327225.50  21201.15 321768.31  14991.77 769.954 25.423  767.109 18.044  2.845520       31.17526  
1 1 1 2   4   16 o 382.506 6.5373  79364.84   2708.35  79312.26   3829.82  79417.44   3830.56  382.066 9.2549  382.320 9.2505  -0.2538452     13.08527  
1 1 1 2   4   17 o 206.986 4.1922  23222.25   939.835  23269.48   1253.10  23161.53   1420.92  207.126 5.5857  206.598 6.3500  0.5280304      8.457107  
1 1 1 2   4   18 o 497.839 8.3487  134790.50  4501.73  134078.80  6365.61  135502.50  6367.21  495.457 11.862  498.102 11.802  -2.644806      16.73325  
1 1 1 2   4   19 o 257.228 4.6667  35889.43   1300.17  35838.07   1837.58  35940.92   1839.86  256.840 6.6056  257.208 6.6044  -0.3684387     9.340868  
1 1 1 2   4   20 o 251.315 4.5906  34264.29   1249.55  34729.36   1766.09  33798.11   1768.18  252.798 6.4501  249.373 6.5465  3.425339       9.190230  
1 1 1 2   4   21 o 174.139 3.9554  16446.57   746.025  15341.39   1051.68  17566.00   1058.43  168.046 5.7781  179.850 5.4335  -11.80440      7.931574  
1 1 1 2   4   22 o 234.589 4.3285  29864.46   1099.80  28790.21   1553.52  30943.80   1557.20  230.076 6.2341  238.559 6.0267  -8.483398      8.670927  
1 1 1 2   4   23 o 292.425 5.5411  46497.73   1755.00  43691.50   2690.09  48577.16   2315.68  282.597 8.7888  298.487 7.1628  -15.88977      11.33793  
1 1 1 2   4   24 o 107.103 2.9848  6221.81    346.247  5784.01    484.426  6679.08    495.082  103.178 4.3348  110.892 4.1220  -7.713554      5.981760  
1 1 1 2   4   25 o 68.244  2.5620  2526.22    189.372  2593.07    323.586  2491.40    233.543  68.901  4.3585  67.743  3.1830  1.157890       5.397052  
1 1 1 2   4   26 o 91.789  2.7548  4574.99    273.874  4508.27    364.478  4661.52    415.069  91.020  3.6971  92.497  4.1431  -1.477211      5.552813  
1 1 1 2   4   27 o 91.506  2.7328  4551.32    270.849  4887.99    363.374  4130.43    406.285  94.712  3.5422  86.935  4.3149  7.777496       5.582621  
1 1 1 2   4   28 o 54.030  3.8703  1603.61    224.994  1529.08    306.430  1690.79    331.416  52.380  5.4825  55.064  5.6363  -2.684349      7.862980  
1 1 1 2   4   29 o 48.525  4.3587  1304.42    226.638  1109.70    317.193  1507.52    323.942  43.977  6.8853  51.746  5.8846  -7.768894      9.057339  
1 1 1 2   4   30 o 88.100  2.6392  4232.34    251.835  4189.18    439.508  4253.44    307.281  86.891  4.6874  88.172  3.2176  -1.280807      5.685488  
1 1 1 2   4   31 o 70.869  2.6383  2743.50    202.510  2721.93    376.963  2752.25    240.099  69.640  5.0316  70.858  3.1285  -1.218147      5.924881  
1 1 1 2   4   32 o 41.786  1.5055  948.824    68.136   965.086    69.540   558.256    340.797  42.140  1.5236  29.904  9.4227  12.23607       9.545112  
1 1 1 2   4   33 o 26.510  1.4748  383.446    42.180   386.652    42.510   179.190    339.291  26.621  1.4802  21.712  8.9422  4.908955       9.063886  
1 1 1 2   4   34 o 33.713  1.2345  618.391    45.079   627.571    45.369   -94.6210   399.841  33.963  1.2333  18.585  8.5661  15.37779       8.654408  
1 1 1 2   4   35 o 26.706  8.5135  506.198    277.579  204.006    448.061  694.415    353.611  22.027  9.6928  30.247  9.6055  -8.219965      13.64607  
1 1 1 2   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   0  o 169.119 4.8013  15495.21   879.477  14847.82   1243.70  16142.75   1243.84  165.512 6.9377  172.585 6.6541  -7.072388      9.612948  
1 1 1 2   5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   6  o 475.884 11.267  123100.10  5807.15  0.0000     0.0000   123100.10  5807.15  ?       ?       475.884 11.267  0.000000       11.26657  
1 1 1 2   5   7  o 234.840 4.3075  29886.65   1095.65  29490.40   1549.35  30283.04   1549.60  233.198 6.1342  236.315 6.0542  -3.117325      8.618679  
1 1 1 2   5   8  f 319.622 5.5554  55378.04   1923.19  54297.73   2719.63  56458.63   2719.98  316.328 7.9378  322.573 7.7852  -6.245300      11.11836  
1 1 1 2   5   9  o 654.785 12.471  232998.91  8844.62  239469.30  15319.34 229763.80  10832.40 661.584 21.379  649.631 15.395  11.95313       26.34523  
1 1 1 2   5   10 o 927.557 30.776  473302.69  30918.85 473302.69  30918.85 0.0000     0.0000   927.557 30.776  ?       ?       0.000000       30.77603  
1 1 1 2   5   11 o 260.019 4.6631  36626.98   1313.26  34099.75   1856.80  39156.53   1857.65  250.839 6.8344  268.808 6.3804  -17.96898      9.349807  
1 1 1 2   5   12 o 260.985 4.6647  36900.46   1318.59  35363.18   1864.42  38438.88   1865.11  255.439 6.7389  266.324 6.4658  -10.88498      9.339127  
1 1 1 2   5   13 o 403.993 7.8889  88492.62   3451.90  80232.18   5978.01  92624.62   4228.00  384.144 14.368  413.210 9.4470  -29.06595      17.19539  
1 1 1 2   5   14 o 381.901 11.138  79208.30   4607.24  79208.30   4607.24  0.0000     0.0000   381.901 11.138  ?       ?       0.000000       11.13833  
1 1 1 2   5   15 f 313.099 6.3358  53152.85   2148.60  52960.30   3720.44  53249.21   2631.86  312.153 11.004  313.289 7.7562  -1.135773      13.46291  
1 1 1 2   5   16 o 224.710 4.1997  27364.16   1022.14  25872.67   1444.34  28860.56   1446.72  218.418 6.1054  230.702 5.7898  -12.28416      8.414111  
1 1 1 2   5   17 o 300.531 5.2721  48980.86   1716.09  48217.59   2425.82  49745.49   2428.01  297.965 7.5166  302.662 7.4067  -4.696564      10.55264  
1 1 1 2   5   18 o 319.395 5.5465  55349.45   1918.73  53634.84   2712.31  57067.04   2714.67  314.095 7.9728  324.025 7.7351  -9.930817      11.10844  
1 1 1 2   5   19 o 110.182 2.9333  6578.57    350.058  6056.14    490.290  7121.84    499.966  105.678 4.2835  114.609 4.0277  -8.930458      5.879641  
1 1 1 2   5   20 o 66.336  2.4314  2384.24    174.690  2285.61    210.763  2600.72    312.236  64.941  2.9965  69.122  4.1904  -4.180801      5.151519  
1 1 1 2   5   21 o 128.066 3.0872  8889.91    428.220  8598.22    601.940  9188.79    609.317  125.888 4.4147  130.144 4.3226  -4.256447      6.178564  
1 1 1 2   5   22 o 231.819 4.5958  29171.19   1153.94  28216.08   1530.96  30427.58   1755.89  227.773 6.2057  236.419 6.8572  -8.646561      9.248343  
1 1 1 2   5   23 o 90.007  2.7462  4391.63    267.722  4113.65    405.017  4607.35    356.786  87.048  4.2958  92.159  3.5744  -5.110283      5.588372  
1 1 1 2   5   24 o 34.319  1.4102  638.049    52.420   627.628    73.843   648.634    74.426   33.971  2.0159  34.539  1.9981  -0.5670509     2.838335  
1 1 1 2   5   25 o 259.576 5.0386  36718.80   1416.60  36693.81   2163.86  36737.55   1874.01  258.398 7.7316  259.031 6.6796  -0.6329651     10.21737  
1 1 1 2   5   26 o 135.126 3.1861  9924.07    466.311  9764.65    658.264  10084.66   660.671  133.788 4.5427  135.975 4.4860  -2.186905      6.384363  
1 1 1 2   5   27 o 103.705 2.7769  5846.48    311.913  7005.60    429.477  4552.64    453.747  113.394 3.4969  91.095  4.6139  22.29890       5.789292  
1 1 1 2   5   28 o 43.308  4.4932  1039.14    207.696  1114.92    279.385  945.524    310.532  44.519  5.9425  40.540  7.3425  3.978802       9.445885  
1 1 1 2   5   29 f 44.421  4.6673  1098.49    221.200  1219.05    308.956  971.698    316.841  46.325  6.3227  40.910  7.4241  5.415428       9.751565  
1 1 1 2   5   30 o 37.220  1.4814  751.877    59.720   118.182    291.622  779.616    61.013   20.440  8.3392  37.900  1.4863  -17.46067      8.470645  
1 1 1 2   5   31 o 19.635  1.5985  210.840    33.701   212.319    33.929   101.939    291.099  19.704  1.6037  19.958  8.2573  -0.2537441     8.411613  
1 1 1 2   5   32 f 8.7959  3.0788  37.794     36.187   32.871     36.415   426.790    323.679  8.4897  3.0757  26.827  9.2182  -18.33774      9.717797  
1 1 1 2   5   33 o 49.909  1.8714  1358.55    101.159  1416.60    104.149  390.613    425.260  50.961  1.8869  26.350  10.294  24.61131       10.46507  
1 1 1 2   5   34 o 47.777  5.5719  1366.28    282.919  1392.43    359.988  1324.05    457.547  46.682  7.3640  42.709  10.057  3.972504       12.46504  
1 1 1 2   5   35 o 4.9815  2.4724  -120.0923  51.023   623.655    432.397  -130.5944  51.382   28.010  10.518  4.8672  2.4264  23.14298       10.79436  
1 1 1 2   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   2  o 311.590 10.880  52686.26   3671.78  0.0000     0.0000   52686.26   3671.78  ?       ?       311.590 10.880  0.000000       10.87985  
1 1 1 2   6   3  o 292.335 5.9437  46309.28   1881.96  46047.24   2304.79  46833.54   3260.01  291.461 7.3010  293.808 10.244  -2.346436      12.57981  
1 1 1 2   6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   7  o 245.165 5.0902  32581.06   1351.66  32922.73   1911.48  32239.37   1911.58  246.334 7.1643  243.759 7.2404  2.574753       10.18583  
1 1 1 2   6   8  o 166.098 3.5768  14946.60   643.474  15098.98   865.741  14758.52   961.847  166.917 4.7887  165.009 5.3818  1.907974       7.203870  
1 1 1 2   6   9  o 205.112 4.2025  22792.39   933.608  22008.30   1242.54  23808.99   1414.82  201.521 5.6927  209.588 6.2325  -8.067307      8.441052  
1 1 1 2   6   10 o 413.259 8.0483  92586.66   3602.45  100037.50  6239.76  88861.49   4412.03  429.157 13.424  404.738 10.065  24.41922       16.77793  
1 1 1 2   6   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   12 o 237.516 4.3435  30560.98   1117.38  30173.12   1580.00  30949.04   1580.41  235.965 6.1822  238.982 6.1057  -3.016663      8.688998  
1 1 1 2   6   13 o 540.998 10.353  158829.50  6066.31  148467.50  10505.73 164012.70  7430.19  521.855 18.587  549.497 12.484  -27.64191      22.39039  
1 1 1 2   6   14 o 58.850  2.5478  1875.86    162.396  1875.86    162.396  0.0000     0.0000   58.850  2.5478  ?       ?       0.000000       2.547758  
1 1 1 2   6   15 o 790.389 15.050  340637.41  12883.81 339914.50  22314.90 340998.91  15779.56 784.095 26.276  789.454 18.454  -5.359375      32.10888  
1 1 1 2   6   16 o 249.890 4.8612  33848.31   1315.70  34966.29   1740.76  32358.68   2009.38  253.901 6.3300  244.167 7.5981  9.734802       9.889396  
1 1 1 2   6   17 o 178.207 3.7613  17210.74   725.997  16320.39   1081.67  17940.64   979.365  173.452 5.7576  181.897 4.9710  -8.445236      7.606695  
1 1 1 2   6   18 o 159.220 3.6424  13740.12   628.138  13373.68   884.501  14112.95   892.192  157.016 5.2010  161.302 5.1068  -4.286209      7.288978  
1 1 1 2   6   19 o 440.974 7.8104  105780.80  3730.40  107231.70  4885.68  103752.30  5776.71  443.299 10.176  435.309 12.252  7.989319       15.92663  
1 1 1 2   6   20 o 116.375 2.9966  7339.88    377.706  7431.39    530.253  7245.62    538.150  117.057 4.1823  115.579 4.2989  1.477142       5.997659  
1 1 1 2   6   21 o 178.900 3.6201  17354.13   701.452  16712.59   989.219  18002.94   994.811  175.445 5.2057  182.107 5.0436  -6.661331      7.248287  
1 1 1 2   6   22 o 403.373 7.8936  88728.65   3448.67  83390.69   4875.31  94074.69   4879.00  389.517 11.556  414.063 10.879  -24.54648      15.87122  
1 1 1 2   6   23 o 164.438 3.4772  14667.10   619.308  14537.35   873.736  14798.10   877.946  163.575 4.9317  165.038 4.9115  -1.462646      6.960177  
1 1 1 2   6   24 o 130.490 3.2000  9237.89    452.270  9294.48    638.502  9180.90    640.717  130.773 4.5079  129.967 4.5516  0.8060303      6.406104  
1 1 1 2   6   25 o 38.358  4.4600  811.392    181.832  699.080    253.527  930.359    260.932  35.127  6.9098  40.825  6.0871  -5.697914      9.208609  
1 1 1 2   6   26 o 37.680  4.3481  784.184    174.195  748.180    243.292  822.056    249.525  36.388  6.4071  38.220  6.2434  -1.831757      8.946002  
1 1 1 2   6   27 o 35.334  1.2977  676.701    49.664   533.574    71.434   810.609    69.095   31.282  2.1208  38.663  1.6500  -7.380199      2.687097  
1 1 1 2   6   28 o 31.273  5.9065  557.943    192.730  549.018    256.539  569.507    292.017  30.687  7.7240  31.205  8.4375  -0.5177956     11.43904  
1 1 1 2   6   29 o 69.829  3.5226  2673.49    265.559  2399.55    371.695  2959.13    379.542  65.640  5.2727  73.092  4.8213  -7.451912      7.144677  
1 1 1 2   6   30 o 53.622  2.2506  1565.04    130.713  1331.87    326.337  1609.59    142.657  48.245  6.4033  54.359  2.4230  -6.113178      6.846419  
1 1 1 2   6   31 o 71.518  2.7874  2797.00    215.920  2835.58    252.730  2692.72    415.470  71.887  3.2459  68.963  5.6109  2.923286       6.482159  
1 1 1 2   6   32 f 57.604  2.7988  1818.46    174.620  1825.23    188.043  1776.05    470.631  57.578  3.0259  54.072  8.3012  3.506042       8.835457  
1 1 1 2   6   33 o 35.744  8.4391  817.361    321.477  761.309    499.574  856.976    419.987  32.985  11.445  35.399  10.320  -2.414249      15.41098  
1 1 1 2   6   34 o 47.630  2.3626  1249.64    121.880  1173.17    353.700  1259.94    129.831  42.175  8.0365  47.707  2.5216  -5.532406      8.422768  
1 1 1 2   6   35 o 17.615  7.6201  80.997     267.012  88.014     425.444  76.438     342.970  20.426  9.1861  19.002  8.4151  1.424084       12.45792  
1 1 1 2   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   0  o 211.596 5.4774  24259.47   1255.31  25184.78   1776.65  23337.02   1773.91  215.542 7.6103  207.477 7.8939  8.065430       10.96495  
1 1 1 2   7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   3  o 74.846  2.3223  3034.00    188.259  2972.88    266.477  3094.91    266.000  74.084  3.3209  75.590  3.2490  -1.505539      4.645921  
1 1 1 2   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   5  o 294.925 5.1934  47134.95   1658.95  49011.91   2346.11  45257.98   2346.10  300.651 7.2047  288.893 7.4979  11.75790       10.39836  
1 1 1 2   7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   7  o 702.226 23.541  272359.59  17904.83 272359.59  17904.83 0.0000     0.0000   702.226 23.541  ?       ?       0.000000       23.54090  
1 1 1 2   7   8  o 257.552 4.6298  35945.92   1291.51  36286.56   1826.36  35605.20   1826.59  258.687 6.5184  256.244 6.5814  2.443420       9.263050  
1 1 1 2   7   9  o 527.961 10.157  151282.30  5808.22  147595.30  10059.86 153126.00  7113.69  520.308 17.851  530.889 12.371  -10.58148      21.71888  
1 1 1 2   7   10 f 313.385 5.8577  53215.63   1988.27  53352.49   2615.41  53028.24   3060.41  313.724 7.6970  312.712 9.0358  1.011780       11.86965  
1 1 1 2   7   11 o 186.934 3.6576  18928.13   740.549  18966.95   1047.46  18889.32   1047.13  187.105 5.1687  186.722 5.1777  0.3834381      7.315988  
1 1 1 2   7   12 o 545.919 9.6593  161657.50  5711.44  164076.91  8866.91  159941.80  7466.74  549.378 14.902  542.695 12.703  6.683228       19.58113  
1 1 1 2   7   13 o 155.712 3.8538  13134.32   649.950  13598.90   1127.69  12903.23   795.338  158.398 6.5731  154.324 4.7583  4.073853       8.114600  
1 1 1 2   7   14 o 192.612 4.5213  20100.91   943.223  19651.51   1201.76  20821.86   1522.15  190.417 5.8270  195.965 7.1715  -5.548111      9.240330  
1 1 1 2   7   15 o 538.683 10.304  157658.70  6011.98  140903.00  10411.35 166040.59  7363.75  507.297 18.948  552.435 12.307  -45.13745      22.59433  
1 1 1 2   7   16 o 357.104 6.5914  69179.33   2549.43  64588.61   3932.02  72508.97   3348.69  344.594 10.535  365.394 8.4614  -20.80096      13.51235  
1 1 1 2   7   17 o 163.449 3.4062  14476.43   603.012  13658.80   849.632  15306.32   855.979  158.714 4.9425  168.023 4.7035  -9.309494      6.822866  
1 1 1 2   7   18 o 432.601 7.2952  101682.00  3418.19  100760.60  4833.29  102603.90  4834.82  429.914 10.380  433.854 10.289  -3.939667      14.61511  
1 1 1 2   7   19 o 348.468 5.9838  65934.55   2258.45  63122.82   3192.63  68750.87   3195.24  340.467 8.6577  355.400 8.3007  -14.93298      11.99409  
1 1 1 2   7   20 o 182.821 3.6460  18120.93   721.963  17702.87   1018.47  18543.20   1023.57  180.595 5.2068  184.839 5.1128  -4.244141      7.297335  
1 1 1 2   7   21 o 163.446 3.7371  14486.64   661.568  13644.95   931.779  15342.28   939.465  158.510 5.4273  168.102 5.1598  -9.592468      7.488656  
1 1 1 2   7   22 o 116.995 3.0620  7420.44    388.015  7296.85    545.031  7547.46    552.518  115.955 4.3397  117.930 4.3257  -1.975250      6.127349  
1 1 1 2   7   23 o 152.378 3.3612  12593.38   554.743  12551.23   783.017  12635.86   786.042  152.007 4.7560  152.518 4.7583  -0.5113678     6.727608  
1 1 1 2   7   24 o 55.075  3.5050  1652.89    207.995  1759.35    290.771  1541.33    297.647  56.683  4.7808  52.962  5.2583  3.720974       7.106687  
1 1 1 2   7   25 o 138.497 3.2739  10415.79   491.112  10711.67   677.748  10088.65   712.638  140.288 4.4604  136.087 4.8348  4.200378       6.578073  
1 1 1 2   7   26 o 19.818  6.3756  210.489    155.403  167.991    216.809  255.393    222.862  19.951  7.4565  22.366  7.6502  -2.414349      10.68294  
1 1 1 2   7   27 o 77.919  2.5164  3298.38    212.367  3734.53    267.785  2559.15    348.624  82.857  2.9839  68.199  4.7493  14.65869       5.608879  
1 1 1 2   7   28 o 49.625  4.0543  1356.15    216.012  1272.24    290.878  1459.32    322.543  47.651  5.7523  51.022  5.9482  -3.371346      8.274701  
1 1 1 2   7   29 o 107.299 3.0586  6281.79    355.460  6036.06    524.817  6490.05    483.155  104.676 4.6291  108.739 4.1023  -4.063034      6.185256  
1 1 1 2   7   30 o 59.016  3.8883  1922.69    247.145  2316.98    345.868  1511.31    353.281  64.428  4.9955  51.397  6.4909  13.03043       8.190631  
1 1 1 2   7   31 o 51.774  2.4512  1462.67    137.458  1486.72    148.301  1316.01    366.215  52.103  2.6365  47.245  7.3995  4.857517       7.855182  
1 1 1 2   7   32 o 14.863  6.9615  -234.1605  281.044  -397.9028  444.252  -124.9019  362.891  18.048  8.5449  18.490  8.3838  -0.4419918     11.97092  
1 1 1 2   7   33 o 34.386  7.1677  727.827    258.300  737.151    328.791  712.795    417.472  33.631  8.8910  32.326  10.455  1.304863       13.72436  
1 1 1 2   7   34 o 21.014  7.7621  262.901    233.586  237.374    321.036  291.617    340.503  21.505  8.7590  22.670  9.0963  -1.164543      12.62789  
1 1 1 2   7   35 o 14.830  6.8662  -109.8454  261.183  -181.0408  414.720  -63.0458   336.241  17.678  8.3350  17.207  7.9028  0.4715748      11.48596  
1 1 1 2   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   6  o 383.426 6.5357  79729.52   2714.20  79956.83   3838.49  79502.23   3838.44  383.702 9.2363  382.606 9.2626  1.095428       13.08067  
1 1 1 2   8   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   9  o 96.079  2.5512  4999.84    265.485  4896.81    370.687  5108.35    380.406  95.078  3.5996  97.110  3.6167  -2.031784      5.102747  
1 1 1 2   8   10 o 243.386 5.1234  32093.36   1350.58  34218.95   1910.42  29969.60   1909.60  251.271 7.0197  235.139 7.4980  16.13162       10.27115  
1 1 1 2   8   11 o 769.488 18.361  322381.81  15302.72 291540.59  32291.79 331313.69  17377.91 722.816 41.420  779.541 20.582  -56.72504      46.25170  
1 1 1 2   8   12 o 433.910 7.7804  102069.30  3656.57  101266.70  4789.16  103191.30  5662.10  432.034 10.235  435.973 11.991  -3.938690      15.76471  
1 1 1 2   8   13 o 751.321 14.309  306926.81  11644.31 305853.69  20168.04 307463.31  14261.49 746.969 24.928  751.226 17.528  -4.256348      30.47351  
1 1 1 2   8   14 o 302.591 6.1203  49629.39   2005.85  48704.82   2455.90  51481.96   3476.39  299.689 7.5661  307.927 10.423  -8.238037      12.87995  
1 1 1 2   8   15 o 342.087 7.6951  63491.11   2851.17  67731.38   6643.77  62533.89   3156.62  351.994 17.426  339.422 8.5864  12.57138       19.42699  
1 1 1 2   8   16 o 298.760 5.1988  48389.87   1682.28  44494.69   2377.26  52297.18   2380.96  286.301 7.6663  310.444 7.0811  -24.14273      10.43614  
1 1 1 2   8   17 o 200.352 3.8707  21755.35   839.948  20835.13   1185.42  22683.21   1190.33  195.987 5.5844  204.507 5.3739  -8.519623      7.750094  
1 1 1 2   8   18 o 379.104 6.8641  78060.32   2818.45  74034.43   4351.69  80969.33   3699.13  368.377 10.907  385.728 8.8542  -17.35141      14.04826  
1 1 1 2   8   19 o 229.288 4.9466  28522.71   1228.45  27479.05   1735.02  29571.87   1739.57  224.835 7.1247  233.269 6.8852  -8.433640      9.907968  
1 1 1 2   8   20 o 179.983 3.6161  17562.49   704.928  16858.14   994.786  18272.91   999.066  176.232 5.2116  183.493 5.0270  -7.260574      7.240958  
1 1 1 2   8   21 f 190.159 3.7627  19609.43   774.980  18258.01   1094.21  20969.69   1097.78  183.348 5.5100  196.527 5.1573  -13.17957      7.547052  
1 1 1 2   8   22 o 135.757 3.2588  9992.74    479.169  9337.64    661.845  10714.37   694.639  131.150 4.6593  140.492 4.5650  -9.342865      6.522861  
1 1 1 2   8   23 o 94.925  2.8301  4885.09    290.974  4917.35    387.722  4843.49    440.269  95.198  3.7603  94.453  4.3036  0.7456131      5.714967  
1 1 1 2   8   24 f 85.082  3.0139  3926.66    277.741  3513.26    389.135  4355.94    396.539  80.275  4.4937  89.551  4.0883  -9.276375      6.075137  
1 1 1 2   8   25 o 73.020  2.2671  2891.33    179.302  2903.79    252.630  2878.68    254.524  73.130  3.1895  72.811  3.2275  0.3191681      4.537522  
1 1 1 2   8   26 o 105.228 2.9201  6015.32    332.808  5928.65    480.663  6095.13    461.261  104.284 4.2555  105.775 4.0262  -1.490753      5.858308  
1 1 1 2   8   27 o 76.076  2.5847  3144.81    212.977  3213.08    268.275  3028.45    350.246  76.825  3.2241  74.298  4.3716  2.527061       5.431919  
1 1 1 2   8   28 o 85.989  3.1680  4029.83    295.056  4451.40    407.566  3565.57    427.704  90.165  4.1734  80.377  4.9368  9.787872       6.464503  
1 1 1 2   8   29 o 121.546 3.2098  8067.13    422.564  7781.59    603.539  8341.69    591.824  118.821 4.6897  123.135 4.4375  -4.314331      6.456376  
1 1 1 2   8   30 o 84.767  2.9852  3926.38    274.076  3714.15    340.271  4318.39    462.462  82.210  3.8214  88.125  4.8640  -5.914795      6.185592  
1 1 1 2   8   31 o 38.171  7.8409  875.545    313.324  618.072    480.160  1066.48    413.492  31.934  11.213  41.425  9.4277  -9.490932      14.64963  
1 1 1 2   8   32 o 42.288  7.3730  1071.50    325.422  199.235    496.807  1727.01    430.678  25.220  10.635  53.755  7.6097  -28.53514      13.07703  
1 1 1 2   8   33 o 46.089  1.5248  1155.91    76.115   216.381    326.679  1209.85    78.269   22.074  8.8912  47.151  1.5326  -25.07636      9.022369  
1 1 1 2   8   34 o 33.495  6.9200  714.472    242.745  654.671    335.852  779.883    351.252  30.241  9.3259  32.984  9.3844  -2.742674      13.23024  
1 1 1 2   8   35 o 32.398  9.8546  810.887    376.605  879.382    457.396  666.706    663.613  32.363  10.960  27.926  12.047  4.436842       16.28654  
1 1 1 2   8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   9   0  o 172.309 4.0072  16083.32   747.865  15837.81   915.574  16575.53   1296.39  170.976 4.9441  174.879 6.8442  -3.902954      8.443211  
1 1 1 2   9   1  o 309.489 7.6408  51924.07   2561.28  50407.49   3622.17  53440.70   3622.23  304.773 10.973  313.828 10.656  -9.054230      15.29591  
1 1 1 2   9   2  o 339.298 8.1485  62416.60   2994.53  52807.12   4234.53  72029.44   4235.27  311.844 12.537  364.337 10.733  -52.49301      16.50361  
1 1 1 2   9   3  o 280.131 5.7402  42523.34   1741.65  45128.16   3017.49  41222.05   2132.77  288.424 9.6593  275.766 7.1406  12.65756       12.01206  
1 1 1 2   9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   9   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   9   6  o 127.984 2.8962  8873.13    401.465  8631.93    567.535  9114.70    567.980  126.214 4.1516  129.697 4.0433  -3.483376      5.795146  
1 1 1 2   9   7  o 454.975 8.2985  112371.90  4089.38  111932.10  5352.71  112988.30  6337.81  453.691 10.893  455.460 12.848  -1.768433      16.84380  
1 1 1 2   9   8  o 242.630 4.7055  31900.54   1236.57  32650.91   1636.75  30902.69   1887.48  245.414 6.1576  238.702 7.3005  6.711426       9.550619  
1 1 1 2   9   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   9   10 f 402.611 6.7794  87846.97   2956.27  85967.45   4180.61  89726.84   4181.00  398.131 9.6949  406.755 9.4902  -8.624634      13.56672  
1 1 1 2   9   11 o 545.403 9.0641  161304.41  5354.44  165033.09  7572.32  157575.70  7572.33  551.324 12.681  538.691 12.978  12.63324       18.14509  
1 1 1 2   9   12 o 805.235 15.192  352561.59  13249.79 388532.09  22950.51 334579.19  16227.19 842.372 25.155  783.512 19.122  58.86047       31.59743  
1 1 1 2   9   13 o 504.754 9.7580  138235.59  5334.69  138171.20  9239.22  138267.80  6533.90  503.682 16.936  504.575 11.956  -0.8925171     20.73076  
1 1 1 2   9   14 o 186.612 3.7832  18865.62   764.665  18534.62   1024.59  19281.76   1148.84  184.941 5.1150  188.620 5.6234  -3.678314      7.601739  
1 1 1 2   9   15 o 205.452 5.4638  22880.77   1215.84  22539.17   2367.46  23003.14   1416.98  203.352 10.787  205.967 6.3518  -2.614380      12.51859  
1 1 1 2   9   16 o 296.614 5.2372  47698.93   1682.53  48056.55   2378.22  47340.56   2380.70  297.560 7.3792  295.330 7.4427  2.230621       10.48071  
1 1 1 2   9   17 o 481.545 8.5953  126065.30  4483.00  120897.00  6948.72  129750.20  5867.40  470.193 13.645  487.903 11.103  -17.71005      17.59121  
1 1 1 2   9   18 o 329.770 5.7028  59013.04   2036.90  57973.13   2879.52  60054.52   2881.70  326.506 8.1425  332.338 8.0057  -5.832520      11.41892  
1 1 1 2   9   19 o 230.416 4.2890  28791.37   1070.38  27718.30   1512.34  29868.40   1515.14  225.915 6.1807  234.536 5.9645  -8.621323      8.589260  
1 1 1 2   9   20 o 117.678 3.0185  7505.25    384.732  7061.49    541.156  7958.78    547.078  114.097 4.3790  121.138 4.1696  -7.041580      6.046630  
1 1 1 2   9   21 f 227.369 4.4143  28048.93   1087.09  27838.37   1444.56  28323.88   1650.75  226.349 5.8923  228.206 6.6786  -1.857208      8.906338  
1 1 1 2   9   22 o 190.266 4.1400  19643.00   853.155  19408.93   1204.76  19878.46   1208.34  188.942 5.8871  191.220 5.8342  -2.278427      8.288333  
1 1 1 2   9   23 o 119.938 3.0856  7800.47    400.835  7310.12    570.340  8279.06    563.456  116.019 4.5387  123.493 4.2126  -7.474022      6.192406  
1 1 1 2   9   24 o 110.812 2.9801  6660.65    357.678  7033.43    512.388  6306.35    499.525  113.785 4.1576  107.733 4.2809  6.051743       5.967599  
1 1 1 2   9   25 o 43.746  1.5848  1037.06    75.093   736.274    105.886  1341.40    106.511  36.741  2.6793  49.744  1.9769  -13.00304      3.329690  
1 1 1 2   9   26 o 32.237  4.9459  580.705    167.179  422.114    232.134  751.595    240.967  27.227  7.5881  36.481  6.3278  -9.254129      9.880315  
1 1 1 2   9   27 o 97.453  2.8081  5163.84    296.402  5521.59    400.063  4728.50    441.317  100.630 3.6705  92.989  4.3818  7.641388       5.716014  
1 1 1 2   9   28 o 97.288  3.0866  5157.09    325.240  5022.30    452.367  5301.32    467.945  95.719  4.3634  98.333  4.3936  -2.614670      6.192191  
1 1 1 2   9   29 o 50.561  2.4167  1391.01    132.344  1237.20    340.550  1418.37    143.634  46.433  6.9880  50.971  2.6105  -4.537209      7.459687  
1 1 1 2   9   30 o 51.836  2.1932  1462.24    123.134  1499.36    131.221  1188.63    356.270  52.476  2.3087  45.046  7.5708  7.430111       7.914987  
1 1 1 2   9   31 o 53.913  5.9656  1662.21    342.512  1793.30    518.067  1560.42    456.520  54.216  9.1480  50.832  8.5986  3.384434       12.55474  
1 1 1 2   9   32 o 4.8926  2.3850  -74.3950   40.961   257.421    298.030  -80.7835   41.354   22.855  8.6979  4.8071  2.3546  18.04805       9.010923  
1 1 1 2   9   33 o 18.503  7.3905  137.712    223.642  247.582    308.457  15.948     324.724  22.340  8.7557  18.878  8.2806  3.461643       12.05117  
1 1 1 2   9   34 o 33.061  6.9726  698.463    241.817  490.828    334.299  926.344    350.219  26.509  9.3518  36.493  8.9328  -9.983768      12.93254  
1 1 1 2   9   35 o 21.312  8.9689  234.868    352.203  200.611    427.593  307.154    621.123  21.685  9.5072  24.367  11.016  -2.682484      14.55107  
1 1 1 2   9   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   10  1  o 316.212 7.7874  54206.31   2667.11  53752.32   3771.91  54660.28   3771.82  314.718 11.065  317.370 10.973  -2.652496      15.58348  
1 1 1 2   10  2  o 169.546 3.4322  15570.60   630.277  15714.68   891.454  15426.59   891.239  170.311 4.8326  168.742 4.8764  1.568970       6.865401  
1 1 1 2   10  3  o 281.711 5.8718  43006.49   1791.62  39484.47   3103.67  44766.65   2194.10  269.727 10.624  287.376 7.0491  -17.64911      12.74973  
1 1 1 2   10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   10  5  o 246.049 4.4811  32803.85   1194.21  33278.58   1688.90  32329.16   1688.83  247.756 6.2937  244.193 6.3853  3.563660       8.965696  
1 1 1 2   10  6  o 150.932 3.4455  12341.78   563.253  12297.33   796.995  12386.13   796.125  150.628 4.8852  151.172 4.8623  -0.5434418     6.892507  
1 1 1 2   10  7  o 638.766 21.395  224437.80  14802.19 224437.80  14802.19 0.0000     0.0000   638.766 21.395  ?       ?       0.000000       21.39506  
1 1 1 2   10  8  o 406.043 6.8745  89397.16   3023.30  90024.41   4275.56  88769.89   4275.62  407.216 9.6939  404.361 9.7625  2.854370       13.75780  
1 1 1 2   10  9  o 356.527 6.1188  68885.98   2362.81  67485.47   3341.38  70286.73   3341.67  352.755 8.7454  360.012 8.5699  -7.257080      12.24443  
1 1 1 2   10  10 o 313.073 6.7837  53118.12   2300.30  51259.20   2984.82  55836.95   3609.77  307.463 8.9630  320.829 10.388  -13.36642      13.72036  
1 1 1 2   10  11 o 433.071 7.2916  101655.40  3420.22  103133.40  4836.88  100177.30  4836.98  436.026 10.242  429.721 10.392  6.305023       14.59108  
1 1 1 2   10  12 o 380.580 6.5025  78497.57   2680.37  77901.05   3791.48  79093.55   3789.75  378.988 9.2366  381.882 9.1624  -2.894287      13.01020  
1 1 1 2   10  13 o 618.638 14.512  208134.80  9724.02  210135.91  13751.80 206133.59  13751.87 620.316 20.468  614.331 20.668  5.985779       29.08761  
1 1 1 2   10  14 o 170.180 3.7254  15689.31   686.676  16831.62   881.287  13924.13   1095.52  176.250 4.6166  160.270 6.3110  15.98038       7.819282  
1 1 1 2   10  15 o 218.062 5.8469  25779.69   1380.94  28390.88   1951.91  23162.96   1953.98  228.737 7.8787  206.560 8.7338  22.17754       11.76236  
1 1 1 2   10  16 o 109.044 2.8906  6441.62    341.395  6250.32    474.567  6646.81    491.489  107.394 4.0799  110.748 4.0974  -3.353577      5.782214  
1 1 1 2   10  17 o 240.946 5.1237  31483.75   1337.14  31288.21   1643.81  31866.16   2298.84  240.109 6.3208  242.079 8.7676  -1.970245      10.80849  
1 1 1 2   10  18 o 344.101 5.9405  64265.86   2214.00  62778.77   3130.16  65754.68   3131.98  339.699 8.5075  347.692 8.3168  -7.993347      11.89731  
1 1 1 2   10  19 o 284.200 5.8302  43852.58   1794.64  43976.56   2537.24  43728.45   2538.77  284.241 8.2415  283.433 8.2699  0.8079224      11.67535  
1 1 1 2   10  20 o 115.199 3.0502  7192.61    380.587  7827.29    535.469  6544.66    541.037  120.135 4.1152  109.835 4.5480  10.30079       6.133436  
1 1 1 2   10  21 f 268.671 5.5525  39207.70   1615.76  39167.08   2283.85  39248.41   2286.21  268.132 7.8641  268.410 7.8641  -0.2782288     11.12148  
1 1 1 2   10  22 o 224.526 4.2277  27356.46   1028.10  26474.64   1452.24  28242.47   1455.68  220.637 6.0770  227.913 5.8970  -7.275421      8.467838  
1 1 1 2   10  23 o 140.749 3.3072  10744.67   504.165  10654.96   693.694  10845.12   734.008  140.064 4.5727  141.287 4.7965  -1.223816      6.626935  
1 1 1 2   10  24 o 31.392  5.3061  551.030    173.980  676.021    240.476  413.750    252.020  34.620  6.6550  27.252  8.0084  7.368202       10.41265  
1 1 1 2   10  25 o 84.112  2.9899  3840.41    272.384  3815.26    381.773  3866.48    388.741  83.632  4.2284  84.186  4.2774  -0.5540619     6.014567  
1 1 1 2   10  26 o 163.027 3.5731  14462.71   630.929  14952.44   855.559  13878.86   934.148  165.452 4.7743  159.207 5.4173  6.245728       7.220871  
1 1 1 2   10  27 o 126.935 3.1321  8769.76    430.620  9104.85    615.281  8448.03    602.886  129.023 4.4029  124.260 4.4795  4.762413       6.281059  
1 1 1 2   10  28 o 74.014  3.2223  2986.61    258.317  2396.17    352.775  3669.16    379.297  65.811  4.9862  81.715  4.3007  -15.90407      6.584654  
1 1 1 2   10  29 o 83.945  3.4159  3852.50    310.577  3986.99    429.136  3704.58    450.056  84.925  4.6835  81.693  5.1121  3.231628       6.933203  
1 1 1 2   10  30 o 78.246  3.4997  3357.25    296.592  3266.03    350.322  3588.13    557.310  76.849  4.2250  79.446  6.5347  -2.596466      7.781571  
1 1 1 2   10  31 o 79.501  4.8863  3539.26    418.715  3454.24    618.449  3611.22    568.948  76.843  7.5273  79.187  6.6963  -2.344177      10.07479  
1 1 1 2   10  32 f 46.454  4.9646  1225.12    245.923  1216.54    339.533  1234.61    356.674  45.211  7.1733  45.357  7.5241  -0.1454811     10.39557  
1 1 1 2   10  33 o 21.679  7.7013  268.528    227.088  51.724     313.222  508.766    329.715  19.095  8.2567  28.028  9.3040  -8.933475      12.43931  
1 1 1 2   10  34 o 61.016  2.5821  2058.23    170.643  2043.45    188.899  2123.82    397.873  60.648  2.8757  58.814  6.3464  1.833496       6.967564  
1 1 1 2   10  35 o 54.146  2.8335  1639.08    165.594  1668.28    496.881  1635.43    175.634  47.051  10.055  53.973  3.0165  -6.922012      10.49785  
1 1 1 2   10  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   11  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   11  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   11  3  o 341.363 5.9649  63151.23   2205.41  59608.49   4412.00  64331.30   2546.35  331.267 12.297  344.500 6.8243  -13.23257      14.06339  
1 1 1 2   11  4  o 204.678 4.5169  22698.16   1001.34  20229.45   1734.66  23931.90   1226.29  193.118 8.2932  210.146 5.3877  -17.02806      9.889584  
1 1 1 2   11  5  o 418.383 10.075  95080.28   4565.67  86063.91   6457.05  104095.40  6456.62  397.328 15.004  437.225 13.634  -39.89694      20.27360  
1 1 1 2   11  6  o 394.518 7.7477  84468.27   3310.62  83288.55   4054.45  86828.48   5734.78  391.537 9.5607  399.177 13.264  -7.640411      16.35070  
1 1 1 2   11  7  o 340.383 5.8727  62816.38   2165.08  62504.43   3061.79  63128.37   3061.97  339.341 8.3305  341.034 8.2896  -1.693329      11.75217  
1 1 1 2   11  8  o 525.430 11.224  149976.80  6387.74  149428.30  9935.47  150363.30  8339.84  523.297 17.530  525.531 14.652  -2.233582      22.84638  
1 1 1 2   11  9  o 317.104 5.5205  54485.71   1896.05  57133.36   2681.57  51838.66   2681.27  324.637 7.6264  309.212 8.0060  15.42462       11.05703  
1 1 1 2   11  10 o 342.129 5.9000  63424.41   2186.30  64355.38   3091.86  62493.40   3091.94  344.540 8.2853  339.514 8.4082  5.026215       11.80442  
1 1 1 2   11  11 o 335.306 5.7966  60920.02   2105.17  59338.87   2976.91  62501.70   2977.41  330.831 8.3079  339.543 8.0961  -8.711945      11.60029  
1 1 1 2   11  12 f 473.957 8.6299  121812.20  4430.13  120696.10  5797.46  123378.60  6868.03  471.553 11.351  476.561 13.306  -5.007996      17.48980  
1 1 1 2   11  13 o 244.213 7.2055  32332.22   1905.92  32763.65   2341.34  31484.80   3281.38  245.774 8.7955  240.398 12.647  5.375290       15.40470  
1 1 1 2   11  14 o 115.752 2.9491  7257.64    369.732  7493.30    523.514  7023.12    522.247  117.605 4.1099  113.854 4.2351  3.750977       5.901460  
1 1 1 2   11  15 o 344.098 8.4188  64270.18   3137.64  63258.86   4436.51  65282.20   4438.06  340.971 12.013  346.406 11.829  -5.434814      16.85919  
1 1 1 2   11  16 o 371.932 6.3636  75043.12   2563.53  74051.25   3624.72  76035.70   3626.04  369.141 9.0659  374.071 8.9497  -4.929993      12.73921  
1 1 1 2   11  17 o 309.587 5.6004  51992.45   1877.89  51640.04   2884.89  52251.57   2473.75  308.176 8.6429  310.167 7.3636  -1.990143      11.35439  
1 1 1 2   11  18 o 96.913  2.6734  5088.61    280.617  4988.45    426.742  5164.91    372.475  95.924  4.1074  97.620  3.5228  -1.695679      5.411168  
1 1 1 2   11  19 o 193.372 3.7692  20271.81   789.433  18503.67   1114.10  22054.82   1118.77  184.629 5.5712  201.605 5.1235  -16.97591      7.568965  
1 1 1 2   11  20 f 306.625 5.6742  51057.00   1884.44  52925.44   2481.61  48512.18   2896.15  311.894 7.3461  298.270 8.9648  13.62357       11.59021  
1 1 1 2   11  21 o 157.680 3.3917  13479.66   579.254  13276.87   816.751  13684.88   821.648  156.401 4.8215  158.789 4.7774  -2.388275      6.787530  
1 1 1 2   11  22 o 183.150 3.6880  18194.26   731.583  16860.81   1032.21  19540.21   1037.04  176.151 5.4102  189.673 5.0480  -13.52191      7.399479  
1 1 1 2   11  23 o 51.290  3.6606  1434.57    202.023  1167.25    279.010  1729.19    292.903  45.969  5.7281  56.205  4.8592  -10.23620      7.511537  
1 1 1 2   11  24 o 108.677 2.9779  6406.71    350.522  6637.66    483.714  6151.34    508.653  110.542 4.0401  106.384 4.4144  4.157898       5.984127  
1 1 1 2   11  25 o 129.596 3.1376  9119.37    440.407  9247.77    620.761  8989.25    624.919  130.339 4.3972  128.491 4.4904  1.848923       6.284824  
1 1 1 2   11  26 o 89.256  2.7376  4326.79    264.651  3991.99    400.434  4586.46    352.649  85.440  4.3414  91.806  3.5465  -6.366173      5.605837  
1 1 1 2   11  27 o 113.908 3.0448  7060.43    375.646  7126.84    532.471  6994.63    530.025  114.169 4.3060  113.100 4.3268  1.069160       6.104328  
1 1 1 2   11  28 o 82.743  3.2742  3733.69    293.432  3566.24    399.118  3930.67    432.888  80.469  4.5984  84.446  4.7522  -3.976692      6.612761  
1 1 1 2   11  29 o 23.183  8.5720  255.337    285.012  519.211    436.876  59.814     376.062  30.598  10.698  21.758  9.2181  8.839523       14.12186  
1 1 1 2   11  30 o 74.327  3.4724  3029.05    279.541  2785.14    326.003  3706.51    543.306  70.930  4.2633  80.902  6.2488  -9.971687      7.564562  
1 1 1 2   11  31 o 45.699  2.4067  1142.48    118.702  1241.04    337.712  1128.59    126.793  46.021  6.9955  45.383  2.5902  0.6376266      7.459670  
1 1 1 2   11  32 o 25.048  7.6107  376.973    224.715  408.919    308.971  341.099    327.420  26.287  9.0076  24.976  9.1961  1.310741       12.87262  
1 1 1 2   11  33 o 34.782  1.4785  658.255    55.697   593.717    79.265   721.198    78.279   32.859  2.2406  36.282  1.9997  -3.423473      3.003159  
1 1 1 2   11  34 o 26.665  2.6576  397.215    75.731   871.207    330.593  370.964    77.800   35.560  8.6632  25.703  2.8422  9.856974       9.117546  
1 1 1 2   11  35 o 17.942  8.1372  -5.2366    342.108  -3.3048    413.984  -9.3969    607.530  19.246  8.8134  21.735  10.198  -2.489260      13.47844  
1 1 1 2   11  36 o 19.160  8.7072  73.259     394.276  73.259     394.276  0.0000     0.0000   19.160  8.7072  ?       ?       0.000000       8.707199  
1 1 1 2   11  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   12  0  o 372.586 19.391  75878.08   7798.36  75878.08   7798.36  0.0000     0.0000   372.586 19.391  ?       ?       0.000000       19.39141  
1 1 1 2   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   12  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   12  5  o 355.617 6.1070  68568.25   2352.22  67184.98   3326.50  69951.58   3326.58  351.793 8.7303  358.980 8.5557  -7.187439      12.22369  
1 1 1 2   12  6  o 363.346 6.2064  71594.38   2442.49  69212.99   3454.03  73976.24   3454.37  356.989 8.9331  369.102 8.6408  -12.11353      12.42830  
1 1 1 2   12  7  o 363.191 6.2343  71522.46   2452.42  71862.10   3468.21  71182.80   3468.27  363.832 8.8010  362.104 8.8432  1.727966       12.47640  
1 1 1 2   12  8  o 151.445 3.1800  12423.76   521.623  12380.36   737.600  12467.18   737.771  151.162 4.5051  151.692 4.4904  -0.5293121     6.360841  
1 1 1 2   12  9  o 539.118 12.635  157834.09  7377.98  166620.70  10434.66 149049.70  10433.42 553.238 17.414  523.094 18.415  30.14429       25.34490  
1 1 1 2   12  10 o 685.091 15.969  255181.20  11849.03 272456.00  16757.31 237907.50  16756.80 706.679 21.893  660.000 23.441  46.67889       32.07492  
1 1 1 2   12  11 o 701.275 14.962  267302.91  11364.78 273093.91  27567.20 266117.19  12474.13 701.683 36.398  699.448 16.466  2.235168       39.94904  
1 1 1 2   12  12 o 515.194 9.2849  143963.70  5181.07  148224.80  6776.16  137966.50  8038.89  522.495 11.974  503.758 14.733  18.73694       18.98541  
1 1 1 2   12  13 o 561.115 10.684  170908.70  6492.88  173017.00  7952.39  166693.09  11245.22 564.245 13.012  552.798 18.782  11.44751       22.84886  
1 1 1 2   12  14 o 482.936 8.0653  126517.10  4218.73  124671.50  5965.72  128363.20  5966.66  478.986 11.499  486.050 11.334  -7.063568      16.14592  
1 1 1 2   12  15 o 270.045 7.5928  39568.46   2220.80  41918.86   2714.20  34807.64   3862.88  277.840 9.0194  252.283 14.195  25.55714       16.81764  
1 1 1 2   12  16 o 513.366 9.2582  143251.30  5147.84  142620.41  6732.89  144139.20  7986.98  511.553 12.152  513.625 14.357  -2.072723      18.80936  
1 1 1 2   12  17 o 228.319 4.6399  28264.12   1147.40  26468.78   1522.61  30623.49   1745.48  220.834 6.3658  237.499 6.7855  -16.66452      9.304109  
1 1 1 2   12  18 o 316.096 5.5034  54215.71   1884.16  56877.83   2664.31  51552.38   2664.91  323.478 7.6045  307.902 7.9910  15.57520       11.03104  
1 1 1 2   12  19 o 339.993 6.2408  62786.21   2298.16  59545.20   3539.88  65147.50   3021.50  330.366 9.8929  345.987 8.0629  -15.62070      12.76246  
1 1 1 2   12  20 o 272.300 4.8751  40237.04   1437.81  37554.73   2031.63  42928.53   2035.11  262.759 7.1387  281.006 6.6866  -18.24667      9.781133  
1 1 1 2   12  21 o 19.173  1.6042  200.526    33.007   418.107    216.071  195.327    33.399   27.236  7.2111  18.917  1.6465  8.318558       7.396632  
1 1 1 2   12  22 o 105.988 2.9471  6089.64    338.310  5567.05    487.143  6576.50    470.191  101.272 4.4411  110.099 3.9430  -8.826248      5.938911  
1 1 1 2   12  23 o 182.424 3.7962  18059.35   750.063  17574.29   1117.20  18457.42   1012.07  179.720 5.7394  184.275 5.0708  -4.555252      7.658540  
1 1 1 2   12  24 o 84.094  2.7056  3835.06    246.437  3571.89    385.066  4017.63    320.720  80.945  4.4087  86.035  3.4417  -5.089935      5.593074  
1 1 1 2   12  25 o 153.691 3.3585  12831.32   559.060  13343.07   788.853  12314.93   792.421  156.505 4.6537  150.313 4.8673  6.191986       6.734056  
1 1 1 2   12  26 o 198.958 4.0349  21572.98   869.491  22264.78   1163.00  20696.26   1309.24  201.652 5.3249  194.028 6.2299  7.623535       8.195502  
1 1 1 2   12  27 o 95.727  2.9661  4985.55    307.537  5336.44    435.759  4637.35    434.091  98.838  4.0705  92.080  4.3526  6.758095       5.959374  
1 1 1 2   12  28 f 140.102 3.3144  10706.82   502.939  9752.94    700.533  11721.46   722.501  133.167 4.8569  146.119 4.5652  -12.95224      6.665655  
1 1 1 2   12  29 o 58.961  5.5276  1945.61    348.875  1666.19    522.025  2171.14    468.992  52.914  9.4556  61.669  7.1544  -8.754982      11.85727  
1 1 1 2   12  30 o 50.419  2.6999  1390.96    146.902  1357.91    155.525  1664.39    447.376  49.775  2.8974  53.220  8.0094  -3.444508      8.517377  
1 1 1 2   12  31 f 45.741  2.1647  1139.96    107.243  914.535    330.222  1166.54    113.389  38.870  8.1061  46.258  2.2631  -7.387478      8.416082  
1 1 1 2   12  32 f 47.809  4.8375  1294.59    247.047  1296.28    339.599  1292.69    360.050  46.824  6.9032  46.479  7.4002  0.3451004      10.12017  
1 1 1 2   12  33 o 33.005  1.5667  593.111    56.005   599.882    56.797   355.181    336.687  33.191  1.5799  24.684  9.2789  8.506880       9.412492  
1 1 1 2   12  34 o 50.299  4.8422  1482.07    260.536  1232.02    357.891  1763.99    380.012  43.241  7.9339  53.120  6.7580  -9.878399      10.42198  
1 1 1 2   12  35 o 29.390  9.5838  660.295    350.418  793.582    422.846  368.063    626.112  31.156  10.538  24.898  11.175  6.257162       15.36012  
1 1 1 2   12  36 o 23.788  9.7052  429.983    394.979  429.983    394.979  0.0000     0.0000   23.788  9.7052  ?       ?       0.000000       9.705163  
1 1 1 2   12  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   13  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   13  1  o 265.527 5.3518  38202.56   1539.14  38025.29   1884.76  38557.42   2666.71  264.874 6.5697  266.614 9.2347  -1.740540      11.33318  
1 1 1 2   13  2  o 493.712 16.572  132733.70  8861.96  0.0000     0.0000   132733.70  8861.96  ?       ?       493.712 16.572  0.000000       16.57241  
1 1 1 2   13  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   13  4  o 469.972 11.142  120015.10  5671.48  111411.10  8020.55  128619.60  8020.81  451.937 16.385  485.822 15.243  -33.88531      22.37922  
1 1 1 2   13  5  o 324.674 5.6505  57147.54   1987.04  55166.11   3974.62  57807.78   2294.33  318.461 11.523  326.489 6.4881  -8.027557      13.22409  
1 1 1 2   13  6  o 416.505 9.9842  94274.41   4504.04  95541.91   6369.77  93006.99   6369.58  418.583 14.050  412.954 14.241  5.629059       20.00507  
1 1 1 2   13  7  o 303.702 5.3260  49992.47   1751.95  51388.24   2477.55  48596.52   2477.71  307.789 7.4319  299.298 7.6432  8.491455       10.66074  
1 1 1 2   13  8  o 723.674 24.071  287191.69  18867.04 0.0000     0.0000   287191.69  18867.04 ?       ?       723.674 24.071  0.000000       24.07080  
1 1 1 2   13  9  o 464.128 8.3889  116794.40  4217.08  115084.90  5519.13  119192.40  6536.91  460.520 11.065  468.498 12.882  -7.977448      16.98202  
1 1 1 2   13  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   13  11 o 338.826 6.3836  62213.52   2342.67  63487.77   3612.66  61288.89   3077.40  342.125 9.7493  336.213 8.4508  5.911469       12.90212  
1 1 1 2   13  12 o 459.946 9.7492  114763.80  4856.74  121070.10  7566.64  110345.30  6333.61  471.883 14.805  450.706 12.974  21.17725       19.68538  
1 1 1 2   13  13 o 588.852 11.206  188276.20  7147.16  191936.00  8753.75  180958.09  12378.40 594.179 13.602  575.680 19.852  18.49866       24.06524  
1 1 1 2   13  14 o 202.639 4.0887  22247.46   897.381  22090.91   1198.47  22447.24   1353.87  201.889 5.4808  203.490 6.1428  -1.600937      8.232410  
1 1 1 2   13  15 o 362.875 10.437  71576.07   4102.14  72337.19   7386.48  71236.63   4932.77  362.805 18.862  361.708 12.591  1.097168       22.67863  
1 1 1 2   13  16 o 188.725 4.1171  19303.05   841.568  19860.21   1188.12  18742.06   1192.20  191.363 5.7324  185.889 5.9214  5.473984       8.241554  
1 1 1 2   13  17 o 283.858 5.2809  43703.21   1623.59  42674.61   2141.28  45094.41   2490.25  280.328 7.0524  288.055 7.9817  -7.726868      10.65102  
1 1 1 2   13  18 o 136.624 3.1353  10115.24   463.964  9556.53    655.794  10675.14   656.495  132.750 4.5610  140.314 4.3198  -7.564194      6.281972  
1 1 1 2   13  19 o 92.402  2.8975  4626.77    289.988  4743.99    408.250  4507.41    411.985  93.537  4.0297  91.170  4.1721  2.366219       5.800453  
1 1 1 2   13  20 o 331.472 6.0129  59689.34   2158.75  54417.40   3321.50  63544.87   2840.48  315.700 9.7138  341.673 7.6756  -25.97314      12.38034  
1 1 1 2   13  21 o 48.279  1.8259  1262.70    95.481   1116.92    134.237  1411.98    135.838  45.314  2.7480  51.046  2.4569  -5.732292      3.686201  
1 1 1 2   13  22 o 88.917  2.5670  4284.97    247.217  4282.27    346.967  4287.74    352.331  88.855  3.6053  88.910  3.6587  -0.5467987E-01 5.136556  
1 1 1 2   13  23 o 66.252  2.5712  2379.32    184.500  2216.99    220.361  2759.91    337.417  63.936  3.1822  71.153  4.3999  -7.217628      5.429997  
1 1 1 2   13  24 o 186.417 3.7241  18870.08   751.920  18648.98   1062.07  19092.27   1064.69  185.068 5.2985  187.264 5.2493  -2.195999      7.458463  
1 1 1 2   13  25 f 102.520 2.9619  5705.74    328.885  5898.73    463.119  5509.40    467.135  104.122 4.1066  100.606 4.2869  3.515846       5.936466  
1 1 1 2   13  26 o 176.321 3.7592  16930.52   717.908  16962.40   1070.55  16904.47   967.761  175.884 5.6197  175.781 5.0831  0.1031647      7.577510  
1 1 1 2   13  27 o 119.208 3.1195  7735.53    402.773  7537.23    570.840  7932.13    568.381  117.346 4.4913  120.419 4.3579  -3.072273      6.258043  
1 1 1 2   13  28 o 77.682  4.8011  3330.20    401.975  3760.78    593.328  2964.88    546.511  81.847  6.7534  72.494  7.0494  9.352371       9.762284  
1 1 1 2   13  29 o 64.772  5.2727  2338.84    366.696  2220.59    545.544  2436.30    495.266  61.799  8.3653  65.375  7.1091  -3.575890      10.97805  
1 1 1 2   13  30 o 33.482  1.7182  610.564    62.098   480.475    307.283  616.103    63.406   28.516  8.9414  33.631  1.7467  -5.114571      9.110442  
1 1 1 2   13  31 o 75.170  3.6257  3112.98    295.196  3092.15    406.223  3136.27    429.707  74.154  5.0886  74.535  5.3586  -0.3809662     7.389731  
1 1 1 2   13  32 o 8.4687  3.0857  32.282     36.728   27.335     36.968   408.694    322.442  8.1802  3.0747  26.350  9.1922  -18.16965      9.692811  
1 1 1 2   13  33 o 59.422  2.3674  1936.31    152.363  1687.79    360.347  1990.42    168.132  53.168  6.3852  60.176  2.5796  -7.008270      6.886588  
1 1 1 2   13  34 o 19.429  7.5372  201.791    226.780  275.297    306.047  112.285    337.717  21.939  8.6824  19.726  8.5513  2.213402       12.18647  
1 1 1 2   13  35 o 20.533  8.6214  207.682    324.227  47.804     377.997  652.798    630.709  19.188  8.6412  27.701  11.843  -8.513685      14.66038  
1 1 1 2   13  36 o 18.822  8.5296  69.198     375.054  69.198     375.054  0.0000     0.0000   18.822  8.5296  ?       ?       0.000000       8.529635  
1 1 1 2   13  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   14  0  o 359.751 8.7242  70192.46   3399.35  71341.99   4807.55  69043.06   4807.27  362.423 12.247  356.518 12.449  5.904541       17.46371  
1 1 1 2   14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   14  2  o 247.941 4.4475  33305.89   1194.35  33192.71   1689.03  33419.09   1689.09  247.466 6.3016  248.309 6.2805  -0.8431091     8.896885  
1 1 1 2   14  3  o 261.424 4.7443  37031.41   1343.36  37671.17   1899.97  36391.89   1899.62  263.603 6.6547  259.083 6.7695  4.519409       9.492681  
1 1 1 2   14  4  o 46.173  2.6507  1158.60    132.008  998.924    230.861  1236.17    160.909  42.628  5.1015  47.667  3.1342  -5.038773      5.987338  
1 1 1 2   14  5  o 406.299 7.9515  89592.88   3499.15  92560.61   6061.57  88109.66   4285.26  412.119 13.580  402.692 9.8250  9.426544       16.76131  
1 1 1 2   14  6  o 421.117 8.2097  96260.03   3744.53  0.0000     0.0000   96260.03   3744.53  ?       ?       421.117 8.2097  0.000000       8.209650  
1 1 1 2   14  7  o 98.964  2.5146  5304.87    269.540  5289.14    381.144  5320.61    381.229  98.809  3.5614  99.102  3.5517  -0.2935867     5.029716  
1 1 1 2   14  8  o 356.542 6.1243  68895.77   2365.03  70427.86   3344.60  67363.55   3344.72  360.353 8.5693  352.415 8.7627  7.938660       12.25631  
1 1 1 2   14  9  o 579.220 12.386  182137.50  7770.66  186405.41  12076.55 179122.00  10151.24 584.981 19.060  573.883 16.331  11.09821       25.10009  
1 1 1 2   14  10 o 539.697 8.9858  157937.00  5252.65  157618.50  7428.30  158255.50  7428.45  538.813 12.729  539.904 12.703  -1.090332      17.98298  
1 1 1 2   14  11 o 119.404 2.8431  7722.14    367.688  7381.40    519.596  8063.91    520.383  116.731 4.1097  122.010 3.9378  -5.278778      5.691740  
1 1 1 2   14  12 o 86.972  3.0293  4097.06    285.362  3707.67    479.570  4310.50    355.060  82.545  5.3937  89.205  3.6749  -6.660522      6.526617  
1 1 1 2   14  13 o 230.086 4.8200  28683.86   1201.19  29844.14   1472.60  26376.90   2076.46  234.668 5.7938  220.516 8.6938  14.15146       10.44752  
1 1 1 2   14  14 o 402.827 7.4050  88009.38   3230.83  86452.08   4995.52  89129.14   4236.00  398.818 11.565  405.170 9.6527  -6.351837      15.06379  
1 1 1 2   14  15 o 318.580 7.8800  55083.21   2719.02  57555.30   3845.43  52611.52   3845.12  325.327 10.913  310.980 11.416  14.34662       15.79306  
1 1 1 2   14  16 o 433.705 7.7780  102144.20  3653.70  100824.50  4785.88  103988.10  5656.89  430.460 10.265  436.792 11.957  -6.332367      15.75903  
1 1 1 2   14  17 o 141.961 3.3781  10920.93   519.410  10939.34   734.554  10902.51   734.559  142.036 4.7748  141.796 4.7829  0.2396393      6.758340  
1 1 1 2   14  18 o 214.515 4.0626  24947.64   943.914  25549.57   1335.07  24346.01   1334.72  216.974 5.6810  211.791 5.8185  5.183197       8.131989  
1 1 1 2   14  19 o 320.029 5.5459  55597.27   1922.35  52179.81   2717.21  59021.77   2720.02  309.620 8.1026  329.390 7.6241  -19.76959      11.12563  
1 1 1 2   14  20 o 177.121 3.9431  17012.63   756.455  17355.02   965.956  16469.67   1216.41  178.821 4.9873  174.073 6.4517  4.748383       8.154659  
1 1 1 2   14  21 o 133.938 3.1450  9724.71    456.248  8704.73    641.954  10765.79   648.562  126.644 4.6800  140.868 4.2508  -14.22408      6.322330  
1 1 1 2   14  22 o 167.600 3.4906  15234.29   633.644  14384.26   893.703  16093.53   898.532  162.725 5.0707  172.148 4.8191  -9.422516      6.995381  
1 1 1 2   14  23 o 94.877  2.9839  4881.26    306.628  4860.51    430.155  4902.69    437.207  94.614  4.1976  95.021  4.2481  -0.4066849     5.972133  
1 1 1 2   14  24 o 65.790  3.2183  2348.83    229.326  2113.17    319.018  2600.82    329.885  62.146  4.7761  69.025  4.4360  -6.879658      6.518361  
1 1 1 2   14  25 o 42.159  4.0060  975.527    180.725  877.886    249.696  1082.95    261.910  39.627  6.0059  44.180  5.5991  -4.552639      8.211021  
1 1 1 2   14  26 o 159.132 3.6142  13785.80   622.938  14045.87   917.272  13563.19   848.658  160.149 5.2882  157.474 4.9757  2.675278       7.261006  
1 1 1 2   14  27 o 111.464 3.1167  6763.50    376.273  6505.67    533.041  7019.57    531.224  109.008 4.5147  113.281 4.3296  -4.272957      6.255283  
1 1 1 2   14  28 o 74.011  4.9037  3026.98    390.862  3139.49    576.635  2931.35    531.629  74.523  7.2351  72.131  6.8885  2.391983       9.989921  
1 1 1 2   14  29 o 107.038 3.2647  6260.28    378.490  6353.00    530.140  6163.89    540.542  107.376 4.5584  105.700 4.7215  1.676292       6.562927  
1 1 1 2   14  30 o 72.296  2.3429  2846.96    183.462  3011.54    390.935  2800.48    207.760  73.476  4.9411  71.640  2.6775  1.835976       5.619898  
1 1 1 2   14  31 o 47.914  4.7300  1291.39    242.265  858.268    334.147  1771.37    351.761  37.448  8.4403  55.639  5.9285  -18.19076      10.31437  
1 1 1 2   14  32 o 25.561  2.2639  359.453    62.029   337.852    63.135   959.803    332.845  24.753  2.3844  39.545  8.0448  -14.79198      8.390707  
1 1 1 2   14  33 o 13.192  6.1920  -185.7265  224.408  -20.1311   319.166  -347.6263  315.585  18.135  8.0701  14.581  6.9857  3.554190       10.67366  
1 1 1 2   14  34 o 37.183  6.1300  852.257    238.269  979.225    317.914  689.531    359.907  38.452  7.8978  30.622  9.6870  7.829788       12.49853  
1 1 1 2   14  35 o 26.315  9.3445  514.933    334.303  488.860    391.522  585.097    642.260  25.620  9.9133  26.949  11.738  -1.329151      15.36380  
1 1 1 2   14  36 o 20.885  9.0422  237.462    376.625  237.462    376.625  0.0000     0.0000   20.885  9.0422  ?       ?       0.000000       9.042249  
1 1 1 2   14  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   15  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   15  1  o 473.753 15.944  122214.40  8181.24  122214.40  8181.24  0.0000     0.0000   473.753 15.944  ?       ?       0.000000       15.94398  
1 1 1 2   15  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   15  3  o 130.683 2.9594  9250.85    418.881  9397.38    592.537  9104.47    592.237  131.699 4.1540  129.630 4.2181  2.069626       5.920137  
1 1 1 2   15  4  o 403.182 7.9240  88211.33   3460.30  92361.42   4238.00  79911.36   5993.36  412.375 9.4885  382.841 14.454  29.53372       17.28998  
1 1 1 2   15  5  o 207.168 3.8472  23254.93   863.255  23328.54   1726.92  23230.41   996.721  207.333 7.6901  207.041 4.4448  0.2921143      8.882226  
1 1 1 2   15  6  o 349.090 6.0055  66073.87   2270.69  64968.43   4541.92  66442.23   2621.87  345.526 12.136  349.994 6.9164  -4.467438      13.96881  
1 1 1 2   15  7  o 352.783 8.5629  67526.48   3271.89  68797.13   4627.83  66256.59   4626.46  355.764 12.010  349.109 12.235  6.655029       17.14487  
1 1 1 2   15  8  o 651.652 21.669  232018.91  15294.46 0.0000     0.0000   232018.91  15294.46 ?       ?       651.652 21.669  0.000000       21.66945  
1 1 1 2   15  9  o 429.510 8.3759  100014.60  3896.52  99215.64   4772.31  101612.50  6748.80  427.671 10.303  432.464 14.408  -4.792816      17.71263  
1 1 1 2   15  10 o 580.687 11.095  182960.00  6977.98  192479.91  12086.68 178200.70  8546.09  594.543 18.770  572.787 13.775  21.75598       23.28212  
1 1 1 2   15  11 o 806.008 16.917  353514.81  14768.00 356340.50  16199.69 339615.41  35929.33 808.844 18.491  778.937 42.750  29.90784       46.57825  
1 1 1 2   15  12 o 674.842 12.856  247393.09  9396.67  243783.91  16274.52 249198.00  11508.88 667.776 22.501  676.785 15.700  -9.009094      27.43740  
1 1 1 2   15  13 o 48.664  3.3740  1288.98    176.739  1490.80    223.583  952.813    288.561  52.307  3.9762  41.406  6.6602  10.90162       7.756874  
1 1 1 2   15  14 o 192.707 3.7122  20118.87   774.807  19553.89   1093.15  20689.23   1098.35  189.943 5.3136  195.383 5.1902  -5.440002      7.427798  
1 1 1 2   15  15 o 767.708 17.978  322878.69  14949.15 312009.91  21140.52 333749.00  21142.07 749.982 26.025  776.281 25.145  -26.29968      36.18845  
1 1 1 2   15  16 o 432.542 7.2435  101566.40  3393.51  105593.50  4799.11  97539.16   4799.18  440.539 10.058  423.323 10.467  17.21652       14.51620  
1 1 1 2   15  17 o 390.487 6.6168  82782.37   2798.49  82532.98   3957.32  83031.85   3958.00  389.409 9.3826  390.589 9.3559  -1.180695      13.25016  
1 1 1 2   15  18 o 163.018 3.3712  14402.67   595.241  14915.71   841.759  13889.54   841.838  165.837 4.6864  160.022 4.8571  5.815018       6.749352  
1 1 1 2   15  19 o 395.939 6.7173  85198.30   2880.67  86468.72   4073.67  83927.60   4074.11  398.194 9.4454  392.258 9.5894  5.936493       13.46002  
1 1 1 2   15  20 f 48.198  2.3073  1258.66    120.452  1092.13    133.875  1966.40    275.991  44.806  2.7722  60.059  4.2706  -15.25241      5.091474  
1 1 1 2   15  21 o 232.704 4.3320  29380.99   1091.84  29857.88   1542.86  28902.57   1545.34  234.371 6.0779  230.575 6.1879  3.795441       8.673546  
1 1 1 2   15  22 o 159.554 3.3700  13805.44   582.389  12867.18   820.976  14755.89   826.295  153.917 4.9246  164.855 4.6277  -10.93787      6.757775  
1 1 1 2   15  23 o 69.959  2.4874  2652.98    188.481  2455.64    328.816  2749.55    230.021  67.081  4.5527  71.207  2.9825  -4.125999      5.442594  
1 1 1 2   15  24 o 130.577 3.1572  9252.28    446.516  8932.30    628.882  9577.58    634.089  128.163 4.5304  132.726 4.4109  -4.562866      6.322993  
1 1 1 2   15  25 o 115.625 3.0260  7259.33    378.954  7366.32    533.457  7150.34    538.422  116.327 4.2340  114.594 4.3380  1.732735       6.061767  
1 1 1 2   15  26 o 49.456  2.3747  1327.67    127.206  1218.97    141.680  1779.62    288.891  47.288  2.7785  56.872  4.7329  -9.584942      5.488158  
1 1 1 2   15  27 o 120.818 4.5675  7994.87    597.698  8765.16    859.304  7272.91    831.907  125.706 6.3316  114.292 6.7503  11.41490       9.255032  
1 1 1 2   15  28 o 23.919  8.6411  281.409    287.125  -9.8237    438.816  499.443    379.685  22.504  9.7518  29.890  9.9865  -7.385635      13.95808  
1 1 1 2   15  29 o 50.284  4.4440  1402.54    239.542  1372.35    332.710  1435.03    345.160  49.122  6.4059  50.213  6.4990  -1.090954      9.125338  
1 1 1 2   15  30 o 9.3228  2.9531  46.732     33.439   57.289     289.438  46.589     33.665   19.271  8.1214  9.3202  2.9642  9.950830       8.645412  
1 1 1 2   15  31 o 29.628  6.2696  517.056    194.916  733.224    299.276  357.815    256.865  34.681  8.1118  24.840  8.2104  9.841049       11.54177  
1 1 1 2   15  32 o ?       ?       -253.8315  45.972   -247.0599  46.345   -669.3939  363.059  ?       ?       13.948  6.8610  0.000000       6.860959  
1 1 1 2   15  33 o 18.186  7.2436  138.225    214.280  90.357     285.711  199.766    323.955  18.924  8.0271  21.522  8.7861  -2.597895      11.90083  
1 1 1 2   15  34 o 7.3798  3.2931  -18.7684   53.540   310.767    374.341  -25.6502   54.096   23.203  9.4553  7.2128  3.2567  15.99005       10.00043  
1 1 1 2   15  35 o 24.628  9.1404  434.167    324.669  318.701    381.260  738.839    619.312  22.774  9.4385  28.597  11.955  -5.823214      15.23192  
1 1 1 2   15  36 f 20.109  8.8283  184.592    369.796  184.592    369.796  0.0000     0.0000   20.109  8.8283  ?       ?       0.000000       8.828314  
1 1 1 2   16  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   16  2  o 281.049 4.9757  42803.60   1514.63  41180.22   2141.89  44427.34   2142.14  275.574 7.1761  286.247 6.9093  -10.67230      9.961694  
1 1 1 2   16  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   16  4  o 267.578 4.7982  38803.80   1390.59  40107.52   1966.89  37500.89   1966.28  271.937 6.6779  262.939 6.9043  8.998688       9.605444  
1 1 1 2   16  5  o 184.720 3.6413  18487.08   728.522  17174.37   1457.94  18923.93   841.053  177.905 7.5662  186.877 4.1553  -8.971436      8.632151  
1 1 1 2   16  6  o 271.499 4.8019  39946.94   1412.05  38341.67   2824.68  40481.73   1630.38  265.689 9.8158  273.280 5.5082  -7.590515      11.25568  
1 1 1 2   16  7  o 559.027 13.165  169933.91  7970.93  170925.50  11272.67 168942.30  11272.54 559.520 18.601  556.238 18.711  3.282227       26.38363  
1 1 1 2   16  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   16  9  f 533.123 10.205  154166.20  5892.90  152009.09  7217.00  158481.70  10207.66 529.159 12.592  539.703 17.462  -10.54358      21.52892  
1 1 1 2   16  10 f 684.614 14.528  254665.20  10772.42 251501.59  16724.11 256908.50  14083.06 678.721 22.750  686.831 18.931  -8.109375      29.59647  
1 1 1 2   16  11 o 297.929 5.1378  48090.72   1657.91  49479.11   2345.49  46704.37   2343.77  302.135 7.1674  293.534 7.3720  8.601349       10.28197  
1 1 1 2   16  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   16  13 o 597.345 9.8974  193664.30  6403.51  191766.50  9055.61  195562.30  9056.26  593.741 14.082  599.615 13.945  -5.873291      19.81773  
1 1 1 2   16  14 o 360.124 6.5916  70322.22   2571.07  69771.83   3374.90  71083.45   3969.00  358.544 8.6905  361.757 10.130  -3.212158      13.34674  
1 1 1 2   16  15 o 350.921 10.345  66952.80   3932.10  71861.86   7067.70  64752.18   4732.06  362.113 18.020  344.766 12.672  17.34647       22.03000  
1 1 1 2   16  16 o 122.332 3.0732  8108.07    407.194  7746.05    575.196  8471.77    576.524  119.541 4.4425  125.020 4.2576  -5.479286      6.153309  
1 1 1 2   16  17 o 135.125 3.1886  9893.93    466.668  9619.23    655.741  10175.82   664.278  133.196 4.5454  136.998 4.4768  -3.801758      6.379828  
1 1 1 2   16  18 o 359.738 6.1314  70263.53   2389.01  70328.41   3378.26  70198.63   3378.87  359.441 8.6775  359.108 8.6871  0.3337708      12.27866  
1 1 1 2   16  19 o 326.876 6.1755  58038.79   2186.40  56653.39   2875.03  59938.86   3366.98  322.575 8.2289  331.533 9.3766  -8.957703      12.47536  
1 1 1 2   16  20 o 99.949  2.8968  5414.09    313.591  5336.20    441.074  5493.70    445.935  99.190  4.1056  100.644 4.0908  -1.453758      5.795737  
1 1 1 2   16  21 o 103.169 2.7798  5768.67    310.622  5593.99    435.408  5949.73    443.270  101.553 3.9585  104.735 3.9076  -3.181450      5.562271  
1 1 1 2   16  22 o 34.360  2.0708  642.004    76.706   839.792    247.262  620.942    80.687   38.833  6.0782  33.779  2.2177  5.053928       6.470124  
1 1 1 2   16  23 o 161.912 3.4515  14222.88   605.279  14135.78   853.649  14310.94   858.357  161.269 4.8872  162.265 4.8840  -0.9964294     6.909256  
1 1 1 2   16  24 o 186.917 3.8519  18978.78   779.824  19714.88   1047.75  18064.59   1167.64  190.292 5.0836  181.980 5.9240  8.311447       7.806156  
1 1 1 2   16  25 o 32.149  2.1328  562.950    73.845   537.763    76.968   854.555    261.892  31.406  2.2782  38.992  6.4250  -7.586500      6.816990  
1 1 1 2   16  26 o 27.704  8.2270  434.204    264.805  235.494    438.854  547.977    332.070  26.285  10.399  31.003  9.2142  -4.717741      13.89371  
1 1 1 2   16  27 o 92.949  4.5986  4733.38    462.953  4224.08    671.007  5196.07    639.555  86.810  7.2015  96.770  6.1336  -9.960297      9.459569  
1 1 1 2   16  28 f 39.369  1.8825  841.427    80.272   840.825    271.475  841.485    84.030   38.276  6.7974  39.316  1.9796  -1.040333      7.079827  
1 1 1 2   16  29 o 93.477  3.2528  4775.02    329.328  4613.40    457.451  4948.90    474.497  91.346  4.6389  94.729  4.6247  -3.382729      6.550310  
1 1 1 2   16  30 o 60.499  3.9155  2023.16    255.198  2010.24    352.412  2037.42    370.042  59.720  5.5104  60.017  5.7634  -0.2967720     7.973835  
1 1 1 2   16  31 o 24.981  1.7784  341.111    47.804   376.993    286.333  340.082    48.484   25.552  8.6717  24.940  1.8071  0.6123161      8.858019  
1 1 1 2   16  32 o 14.326  6.4140  -63.0551   204.922  64.015     274.569  -222.8401  307.892  18.627  7.8832  15.789  7.3590  2.838256       10.78427  
1 1 1 2   16  33 o 23.402  7.5722  339.357    218.968  471.524    292.058  169.698    330.901  26.913  8.7481  21.101  8.7730  5.812094       12.38927  
1 1 1 2   16  34 o 22.859  8.1166  336.132    252.213  440.405    375.111  250.098    340.729  25.426  9.7385  21.870  8.9789  3.555197       13.24607  
1 1 1 2   16  35 o 18.267  8.0553  72.370     311.022  89.906     362.453  23.396     605.718  19.379  8.6129  21.842  10.227  -2.463184      13.37039  
1 1 1 2   16  36 o 28.252  10.177  691.703    397.880  691.703    397.880  0.0000     0.0000   28.252  10.177  ?       ?       0.000000       10.17706  
1 1 1 2   17  0  o 303.692 5.2829  49981.75   1737.70  47046.60   2457.45  52917.02   2457.50  294.524 7.7036  312.385 7.2633  -17.86093      10.58777  
1 1 1 2   17  1  o 542.720 18.179  160878.30  10686.16 160878.30  10686.16 0.0000     0.0000   542.720 18.179  ?       ?       0.000000       18.17923  
1 1 1 2   17  2  o 265.976 4.7876  38336.01   1379.21  38725.61   1950.53  37946.43   1950.48  267.240 6.7388  264.534 6.8075  2.705658       9.578806  
1 1 1 2   17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   17  4  o 221.462 4.1456  26576.54   994.382  27674.44   1406.61  25479.71   1405.93  225.928 5.7482  216.774 5.9880  9.154282       8.300535  
1 1 1 2   17  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   17  6  o 343.406 5.9151  63927.94   2200.10  63299.88   4401.04  64137.19   2540.29  341.192 11.909  343.910 6.8198  -2.717926      13.72370  
1 1 1 2   17  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   17  8  o 304.905 5.3258  50370.36   1758.83  51022.44   3518.05  50153.07   2030.84  306.657 10.592  304.222 6.1633  2.434967       12.25469  
1 1 1 2   17  9  o 431.559 8.4091  100969.10  3930.62  96247.98   6807.75  103330.00  4814.10  420.861 14.935  436.466 10.183  -15.60461      18.07611  
1 1 1 2   17  10 o 489.250 8.1563  129765.80  4322.10  126061.20  6111.96  133471.50  6112.77  481.946 11.709  495.938 11.380  -13.99286      16.32786  
1 1 1 2   17  11 o 690.694 13.013  259106.09  9735.13  292678.31  16863.50 242325.30  11922.43 732.301 21.261  667.365 16.494  64.93604       26.90907  
1 1 1 2   17  12 o 210.380 5.6897  23984.14   1296.48  26668.90   1831.97  21290.41   1835.03  221.788 7.6263  198.136 8.5509  23.65144       11.45763  
1 1 1 2   17  13 o 444.652 7.4202  107210.40  3573.61  114418.80  5054.02  100002.90  5053.68  459.099 10.164  429.130 10.873  29.96912       14.88377  
1 1 1 2   17  14 o 348.765 5.9611  65942.95   2251.79  62834.43   3183.17  69056.71   3185.85  340.246 8.6377  356.731 8.2455  -16.48447      11.94140  
1 1 1 2   17  15 o 531.780 12.544  154062.00  7225.06  168910.30  10218.33 139216.80  10217.21 555.442 16.985  503.673 18.729  51.76935       25.28382  
1 1 1 2   17  16 o 722.179 11.896  284389.69  9305.16  274193.81  13158.90 294587.50  13160.08 706.484 17.197  732.650 16.584  -26.16626      23.89062  
1 1 1 2   17  17 o 204.593 3.9063  22688.69   865.609  23117.50   1223.94  22259.58   1224.38  206.428 5.4742  202.554 5.5809  3.873611       7.817483  
1 1 1 2   17  18 f 311.106 5.4352  52523.25   1831.45  53580.96   2589.92  51465.31   2590.20  313.913 7.6174  307.627 7.7739  6.285522       10.88385  
1 1 1 2   17  19 o 137.680 3.2527  10274.25   485.042  10615.41   702.156  9962.86    670.822  139.887 4.6343  135.522 4.5701  4.364594       6.508681  
1 1 1 2   17  20 o 339.700 5.8315  62683.91   2145.59  61308.72   3033.75  64060.14   3034.89  335.416 8.3507  342.905 8.1714  -7.489197      11.68363  
1 1 1 2   17  21 o 88.895  2.7221  4282.79    262.092  4189.54    400.393  4352.71    346.688  87.875  4.2068  89.593  3.5727  -1.717636      5.519143  
1 1 1 2   17  22 o 215.852 4.4096  25292.40   1030.92  25653.58   1556.82  25010.35   1375.78  217.063 6.6219  214.439 5.9235  2.623611       8.884656  
1 1 1 2   17  23 o 129.214 3.1713  9055.94    443.833  8660.70    632.982  9438.20    622.498  126.251 4.6290  131.821 4.3600  -5.569832      6.358991  
1 1 1 2   17  24 o 99.076  2.7490  5324.39    294.996  5125.44    413.511  5530.58    420.962  97.126  3.9308  100.898 3.8520  -3.772179      5.503563  
1 1 1 2   17  25 o 129.688 3.2022  9136.52    449.803  9300.92    641.996  8978.00    630.397  130.646 4.5370  128.358 4.5344  2.287537       6.414428  
1 1 1 2   17  26 o 148.043 4.7306  11983.58   758.529  12981.58   1094.81  11062.26   1051.92  153.396 6.5895  141.493 6.8640  11.90364       9.515058  
1 1 1 2   17  27 o 76.284  4.8574  3205.33    399.247  3316.07    585.447  3109.06    545.870  76.873  7.1120  74.513  6.8401  2.359596       9.867490  
1 1 1 2   17  28 o 74.350  3.1249  3014.27    251.642  3168.59    372.233  2884.37    341.501  75.809  4.5545  72.367  4.3776  3.442543       6.317173  
1 1 1 2   17  29 o 54.281  4.1007  1627.72    239.309  1680.17    326.761  1567.05    351.455  54.700  5.5940  52.559  6.2993  2.141319       8.424639  
1 1 1 2   17  30 o 21.003  7.3203  233.031    204.464  126.672    275.697  363.031    304.800  20.122  8.1458  25.646  8.9377  -5.524076      12.09288  
1 1 1 2   17  31 o 16.525  6.8617  57.674     202.052  329.556    272.121  -276.4027  301.643  24.253  8.4454  15.167  7.1381  9.085212       11.05793  
1 1 1 2   17  32 f 65.101  2.6768  2322.68    188.745  2117.49    364.186  2398.03    220.697  60.740  5.5988  66.019  3.0864  -5.279362      6.393156  
1 1 1 2   17  33 o 34.948  1.7894  668.282    67.504   742.496    298.242  664.275    69.302   33.775  8.2286  34.832  1.8435  -1.057034      8.432553  
1 1 1 2   17  34 f 23.296  8.1308  354.426    252.291  815.311    374.255  -29.4673   341.568  33.230  9.7574  17.964  8.1405  15.26611       12.70730  
1 1 1 2   17  35 o 17.803  2.2994  177.821    43.301   -39.9993   359.163  181.033    43.620   17.816  8.1771  17.967  2.2939  -0.1505737     8.492769  
1 1 1 2   17  36 o 23.675  9.5887  429.764    382.202  429.764    382.202  0.0000     0.0000   23.675  9.5887  ?       ?       0.000000       9.588674  
1 1 1 2   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   18  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   18  2  o 201.808 3.8884  22066.17   849.922  21988.93   1201.93  22143.43   1202.01  201.406 5.5098  202.113 5.4909  -0.7070465     7.778692  
1 1 1 2   18  3  o 213.706 4.0592  24746.54   939.577  25304.48   1328.90  24188.83   1328.63  216.045 5.6791  211.223 5.8075  4.821503       8.122771  
1 1 1 2   18  4  o 327.974 5.7105  58318.72   2028.54  60236.65   2869.07  56401.54   2868.51  333.147 7.9513  322.343 8.2161  10.80353       11.43359  
1 1 1 2   18  5  o 197.429 3.8123  21118.57   815.199  20887.38   1153.14  21349.54   1152.59  196.299 5.4237  198.461 5.3620  -2.161942      7.626782  
1 1 1 2   18  6  o 259.990 4.6730  36626.68   1315.90  34346.78   2632.71  37385.94   1519.29  251.535 9.6635  262.648 5.3407  -11.11296      11.04111  
1 1 1 2   18  7  o 135.309 2.9779  9916.77    436.418  9413.73    873.944  10083.88   503.720  131.795 6.1223  136.441 3.4086  -4.645340      7.007196  
1 1 1 2   18  8  o 655.402 12.503  233207.30  8875.49  229565.30  15372.82 235028.30  10870.21 648.594 21.883  657.553 15.263  -8.958862      26.68011  
1 1 1 2   18  9  o 84.987  2.4912  3911.85    229.312  3599.35    454.881  4018.32    265.519  81.343  5.1901  86.134  2.8461  -4.790894      5.919250  
1 1 1 2   18  10 o 762.909 17.795  316805.09  14703.97 326288.59  20794.46 307321.41  20794.66 772.385 24.857  749.369 25.620  23.01556       35.69679  
1 1 1 2   18  11 o 562.505 12.142  171795.91  7397.81  156228.50  11499.05 182789.00  9663.01  535.265 19.835  579.771 15.388  -44.50531      25.10389  
1 1 1 2   18  12 o 478.971 9.1217  124444.40  4732.10  127173.80  5796.08  118988.30  8194.94  484.008 11.056  467.527 16.183  16.48120       19.59959  
1 1 1 2   18  13 o 535.227 10.694  155566.00  6199.46  152478.50  8766.96  158654.20  8767.77  529.127 15.297  539.795 14.997  -10.66827      21.42212  
1 1 1 2   18  14 o 289.522 5.5534  45437.70   1741.45  45669.71   2670.50  45266.04   2297.03  290.074 8.4999  288.871 7.3416  1.202850       11.23157  
1 1 1 2   18  15 o 516.391 12.242  145260.91  6847.02  144712.30  9682.68  145809.50  9683.63  513.883 17.396  515.850 17.332  -1.966980      24.55666  
1 1 1 2   18  16 o 431.587 7.9137  101189.50  3699.27  95844.84   5725.97  105018.30  4846.45  419.026 12.616  439.225 10.187  -20.19907      16.21602  
1 1 1 2   18  17 o 447.203 8.2784  108748.20  4009.81  104375.00  6210.32  111874.80  5251.07  436.773 13.128  452.967 10.703  -16.19351      16.93791  
1 1 1 2   18  18 o 121.012 3.0165  7935.50    395.368  8005.49    558.767  7865.33    559.504  121.506 4.2458  120.436 4.2892  1.069901       6.035265  
1 1 1 2   18  19 o 383.960 6.4580  80106.43   2685.67  76906.91   3797.35  83308.50   3798.87  375.531 9.3361  390.952 8.9714  -15.42111      12.94792  
1 1 1 2   18  20 o 167.316 3.6244  15178.63   656.820  14589.88   971.935  15673.51   891.088  163.914 5.4746  169.943 4.8411  -6.028366      7.308054  
1 1 1 2   18  21 o 202.928 3.9043  22336.51   858.131  22309.86   1213.14  22363.20   1214.02  202.645 5.5272  202.888 5.5246  -0.2423859     7.814786  
1 1 1 2   18  22 o 237.543 4.3895  30631.15   1129.35  29654.34   1595.16  31612.84   1599.14  233.428 6.3093  241.047 6.1251  -7.619186      8.793423  
1 1 1 2   18  23 o 185.737 3.6915  18722.96   742.625  19269.62   1048.23  18172.11   1052.24  188.238 5.1414  182.773 5.3154  5.465424       7.395058  
1 1 1 2   18  24 o 131.583 3.1850  9397.11    453.920  9926.09    633.882  8840.36    650.314  135.109 4.3317  127.458 4.7107  7.650459       6.399523  
1 1 1 2   18  25 o 21.224  7.8454  196.611    238.709  213.192    346.549  181.641    329.283  24.077  9.3237  23.088  9.0472  0.9885368      12.99163  
1 1 1 2   18  26 o 105.753 4.4126  6108.43    505.425  6470.15    747.175  5803.28    686.262  108.151 6.4071  102.472 6.2125  5.679138       8.924483  
1 1 1 2   18  27 o 156.898 3.4585  13421.49   587.724  13761.26   834.826  13087.61   827.555  158.351 4.8675  154.392 4.9488  3.958801       6.941429  
1 1 1 2   18  28 o 87.462  2.8282  4166.39    267.918  4156.78    348.203  4180.35    419.453  87.187  3.6873  87.130  4.4597  0.5647278E-01  5.786607  
1 1 1 2   18  29 o 44.855  4.7065  1122.14    225.246  1018.99    304.990  1245.90    334.086  42.012  6.9452  46.593  6.8222  -4.581188      9.735452  
1 1 1 2   18  30 o 32.537  6.2901  616.519    213.651  680.880    289.044  539.002    317.213  33.644  8.0414  29.909  9.0323  3.735237       12.09328  
1 1 1 2   18  31 o 30.182  1.7148  496.921    55.825   323.730    360.476  501.177    56.506   25.238  9.5751  30.310  1.7284  -5.071375      9.729848  
1 1 1 2   18  32 o 34.141  6.5693  695.797    234.102  1156.47    331.789  239.100    330.354  43.870  7.2350  22.881  9.0317  20.98815       11.57226  
1 1 1 2   18  33 o 7.0863  2.6306  21.527     26.896   262.472    351.733  20.110     26.975   22.869  9.2207  6.9917  2.6268  15.87682       9.587581  
1 1 1 2   18  34 o 23.979  8.1157  381.934    250.782  473.782    370.917  304.592    340.367  25.980  9.7445  22.748  9.1063  3.231697       13.33712  
1 1 1 2   18  35 o 23.645  9.0302  389.749    321.957  561.772    376.305  -80.1195   621.920  26.873  9.8642  21.226  10.067  5.647282       14.09422  
1 1 1 2   18  36 o 16.791  7.8432  -84.1658   352.804  -84.1658   352.804  0.0000     0.0000   16.791  7.8432  ?       ?       0.000000       7.843245  
1 1 1 2   19  0  o 312.501 5.4541  52936.09   1846.07  54078.78   2610.89  51793.66   2610.58  315.714 7.6353  308.959 7.8013  6.754791       10.91592  
1 1 1 2   19  1  o 287.076 5.1125  44668.37   1589.64  45348.80   2248.24  43988.12   2247.95  289.137 7.1791  284.759 7.2885  4.378052       10.23044  
1 1 1 2   19  2  o 164.060 3.3253  14581.58   590.888  14496.96   835.635  14666.20   835.650  163.553 4.7172  164.505 4.6900  -0.9525909     6.651962  
1 1 1 2   19  3  o 138.241 2.9479  10352.55   441.384  10433.98   624.312  10271.18   624.110  138.763 4.1539  137.676 4.1854  1.087448       5.896809  
1 1 1 2   19  4  o 317.242 5.5326  54559.14   1901.03  55310.44   2688.67  53808.07   2688.24  319.259 7.7754  314.885 7.8822  4.374573       11.07185  
1 1 1 2   19  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   19  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   19  7  o 560.160 10.692  170281.09  6486.93  163237.91  11236.46 173802.00  7944.57  547.238 18.958  565.646 12.967  -18.40778      22.96837  
1 1 1 2   19  8  o 346.865 5.9441  65192.38   2233.14  62487.83   4466.47  66093.80   2578.58  339.300 12.154  349.224 6.8172  -9.924622      13.93513  
1 1 1 2   19  9  o 254.663 4.5451  35132.34   1253.66  34075.83   2506.82  35484.69   1447.69  250.681 9.2328  255.923 5.2227  -5.242737      10.60759  
1 1 1 2   19  10 o 677.213 11.963  248944.80  8774.92  223880.80  16204.58 259343.59  10437.69 640.122 23.372  690.924 13.948  -50.80121      27.21786  
1 1 1 2   19  11 o 320.570 7.9314  55715.08   2753.87  0.0000     0.0000   55715.08   2753.87  ?       ?       320.570 7.9314  0.000000       7.931416  
1 1 1 2   19  12 o 389.382 7.5926  82205.29   3202.10  84136.75   3922.53  78346.88   5544.04  393.822 9.1959  379.656 13.482  14.16617       16.31992  
1 1 1 2   19  13 o 508.725 8.4163  140404.20  4637.42  140673.80  6558.06  140134.59  6558.53  508.761 11.901  507.782 11.925  0.9794617      16.84770  
1 1 1 2   19  14 o 566.617 9.3126  174350.41  5715.17  168372.30  8081.67  180331.00  8083.27  555.990 13.420  575.505 12.968  -19.51538      18.66201  
1 1 1 2   19  15 o 190.309 5.9599  19641.93   1228.47  19544.02   2014.83  19699.87   1549.89  189.343 9.8588  190.508 7.5113  -1.165436      12.39418  
1 1 1 2   19  16 o 289.604 5.5536  45492.39   1742.00  46221.94   2296.18  44503.13   2673.84  291.753 7.2664  286.118 8.6282  5.634705       11.28035  
1 1 1 2   19  17 o 159.057 3.3392  13709.98   575.265  12711.00   811.809  14717.55   815.297  153.092 4.8959  164.749 4.5690  -11.65643      6.696672  
1 1 1 2   19  18 f 270.636 4.7606  39729.64   1395.46  41205.11   1973.71  38254.87   1973.25  275.408 6.6167  265.333 6.8662  10.07443       9.535482  
1 1 1 2   19  19 o 369.276 6.8378  74129.64   2734.88  74550.47   4222.10  73825.43   3589.78  369.357 10.554  368.006 9.0062  1.351166       13.87430  
1 1 1 2   19  20 o 164.178 3.6677  14615.12   652.197  14150.50   884.763  15168.02   965.163  161.457 5.0594  167.140 5.3315  -5.682663      7.350000  
1 1 1 2   19  21 o 234.412 4.6919  29827.26   1191.23  29795.96   1810.58  29851.14   1581.81  233.930 7.1460  234.297 6.2333  -0.3675537     9.482574  
1 1 1 2   19  22 o 131.028 3.1783  9309.40    451.054  9626.64    637.458  8991.29    638.318  133.163 4.4197  128.682 4.5798  4.480972       6.364664  
1 1 1 2   19  23 o 238.692 4.4406  30952.98   1148.02  28789.41   1622.88  33120.12   1624.21  229.775 6.5210  246.562 6.0820  -16.78697      8.917077  
1 1 1 2   19  24 o 143.573 5.0363  11226.74   783.174  10699.62   1047.67  11894.41   1179.09  139.811 6.9185  147.113 7.4239  -7.301437      10.14791  
1 1 1 2   19  25 o 167.624 5.0216  15339.45   911.701  14960.33   1291.02  15716.59   1287.66  164.832 7.2314  169.022 7.0338  -4.189987      10.08797  
1 1 1 2   19  26 o 89.451  3.0962  4351.88    299.975  4677.31    436.764  4061.31    412.715  92.540  4.3576  86.106  4.4405  6.434013       6.221440  
1 1 1 2   19  27 o 47.729  4.3285  1256.74    221.329  1660.44    335.816  946.708    294.292  54.569  5.7692  40.738  6.9171  13.83114       9.007248  
1 1 1 2   19  28 o 89.401  2.8043  4353.19    271.539  4619.69    353.915  3971.78    423.383  91.938  3.5541  84.859  4.6239  7.078407       5.831993  
1 1 1 2   19  29 o 85.742  3.3112  4020.02    307.504  4266.83    424.519  3747.58    446.030  87.878  4.4749  82.123  5.0388  5.754883       6.739052  
1 1 1 2   19  30 o 62.471  3.7996  2155.53    255.871  2212.17    349.089  2089.78    376.135  62.772  5.1809  60.734  5.7880  2.037189       7.768000  
1 1 1 2   19  31 f 80.171  2.7851  3518.39    241.837  3753.85    292.876  3013.80    428.743  82.642  3.2720  72.914  5.4687  9.727135       6.372854  
1 1 1 2   19  32 o 12.331  5.8095  -193.6605  200.790  -196.5118  269.874  -190.1250  300.509  14.822  6.9023  15.870  7.3538  -1.048138      10.08565  
1 1 1 2   19  33 o 4.7651  2.2810  -46.1219   33.482   -41.9190   33.681   -397.9758  308.172  4.8985  2.3289  13.860  6.7061  -8.961462      7.098966  
1 1 1 2   19  34 o 30.213  1.9193  502.217    62.481   657.901    380.901  497.913    63.339   29.607  10.002  30.074  1.9551  -0.4666576     10.19126  
1 1 1 2   19  35 o 18.128  8.0109  69.731     309.175  226.089    358.055  -388.5346  612.984  21.055  8.9603  19.252  9.3486  1.802938       12.94923  
1 1 1 2   19  36 o 16.754  7.8286  -84.1936   351.914  -84.1936   351.914  0.0000     0.0000   16.754  7.8286  ?       ?       0.000000       7.828646  
1 1 1 2   20  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   20  1  o 162.082 3.3744  14232.37   592.387  14565.60   838.080  13899.64   837.443  163.939 4.7199  160.144 4.8281  3.794403       6.751870  
1 1 1 2   20  2  o 235.623 4.3666  30085.86   1114.36  29464.84   1575.89  30706.98   1576.02  233.098 6.2419  237.967 6.1147  -4.869095      8.737872  
1 1 1 2   20  3  o 457.089 15.461  114062.00  7654.42  114062.00  7654.42  0.0000     0.0000   457.089 15.461  ?       ?       0.000000       15.46114  
1 1 1 2   20  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   20  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   20  6  o 299.443 6.1048  48596.87   1979.97  46077.62   3430.15  49855.67   2424.69  291.330 10.871  303.241 7.3824  -11.91119      13.14049  
1 1 1 2   20  7  o 441.553 7.4157  105683.70  3546.53  103644.30  7093.87  106363.30  4095.03  436.647 15.000  442.904 8.5365  -6.256470      17.25867  
1 1 1 2   20  8  o 230.124 4.3805  28687.36   1091.83  29140.37   2049.70  28507.89   1290.10  231.851 8.1623  229.390 5.1925  2.461334       9.673941  
1 1 1 2   20  9  o 378.186 6.4551  77504.84   2644.11  77017.61   5288.17  77667.26   3053.16  376.630 12.963  378.542 7.4467  -1.912079      14.95009  
1 1 1 2   20  10 f 270.102 4.7965  39524.11   1403.20  40147.00   2809.83  39317.15   1619.62  272.070 9.5352  269.377 5.5511  2.692810       11.03336  
1 1 1 2   20  11 o 407.463 8.8171  90039.34   3891.19  0.0000     0.0000   90039.34   3891.19  ?       ?       407.463 8.8171  0.000000       8.817060  
1 1 1 2   20  12 o 291.122 7.1615  45946.80   2258.12  49457.33   3197.26  42452.92   3189.67  301.898 9.7779  279.660 10.530  22.23868       14.37003  
1 1 1 2   20  13 o 480.430 8.0193  125208.30  4172.91  122786.10  5901.04  127631.00  5901.73  475.343 11.462  484.662 11.243  -9.318848      16.05523  
1 1 1 2   20  14 o 246.036 4.4129  32803.38   1175.97  32009.43   1661.99  33599.39   1664.15  242.958 6.3158  248.927 6.1723  -5.968307      8.831017  
1 1 1 2   20  15 o 312.904 7.7643  53157.47   2631.38  54694.06   3721.23  51620.71   3721.43  317.013 10.838  307.932 11.158  9.081055       15.55495  
1 1 1 2   20  16 o 241.850 4.4394  31708.93   1162.89  32399.51   1644.05  31017.46   1645.11  244.348 6.2121  239.068 6.3534  5.279449       8.885652  
1 1 1 2   20  17 o 32.479  1.2850  571.329    45.202   390.487    63.800   753.604    64.052   26.756  2.2216  37.301  1.5854  -10.54461      2.729311  
1 1 1 2   20  18 o 168.230 3.6635  15341.61   667.530  15836.38   991.287  14931.10   902.946  170.827 5.3576  165.893 5.0253  4.933807       7.345604  
1 1 1 2   20  19 o 59.542  2.3119  1920.78    149.092  1709.07    287.042  1999.00    174.473  55.921  4.7852  60.738  2.6521  -4.817261      5.471059  
1 1 1 2   20  20 o 155.428 3.4893  13097.53   587.402  13456.31   802.044  12682.43   862.691  157.471 4.7025  152.840 5.2113  4.630646       7.019348  
1 1 1 2   20  21 o 119.379 3.0800  7725.75    398.244  7445.22    563.818  8005.07    562.588  117.127 4.4444  121.460 4.2765  -4.333496      6.167731  
1 1 1 2   20  22 o 229.755 4.5630  28663.54   1135.50  28220.05   1509.39  29241.78   1723.51  227.729 6.1195  231.671 6.8687  -3.942017      9.199261  
1 1 1 2   20  23 o 161.831 3.5398  14212.48   620.462  14458.13   846.235  13926.90   912.429  163.082 4.7909  159.995 5.2653  3.087463       7.118698  
1 1 1 2   20  24 o 227.719 6.9049  28393.90   1703.06  28853.77   2110.86  27536.34   2882.55  228.904 8.5141  221.483 12.062  7.420486       14.76385  
1 1 1 2   20  25 o 133.552 4.5401  9725.01    656.721  9749.61    931.250  9700.67    926.257  133.261 6.4520  132.932 6.4333  0.3297119      9.111252  
1 1 1 2   20  26 o 112.103 3.1231  6836.26    379.208  6626.86    540.039  7039.94    532.601  110.102 4.5285  113.527 4.3314  -3.424820      6.266503  
1 1 1 2   20  27 o 105.414 3.1175  6051.60    355.943  6279.41    508.694  5833.08    498.227  107.088 4.3858  103.193 4.4577  3.894753       6.253475  
1 1 1 2   20  28 o 41.136  1.4632  917.855    65.194   951.296    67.216   387.041    267.798  41.878  1.4819  26.192  8.3635  15.68544       8.493765  
1 1 1 2   20  29 f 23.655  2.9342  309.958    73.563   647.296    289.480  286.670    76.060   32.975  8.1516  22.689  3.1826  10.28582       8.750842  
1 1 1 2   20  30 o 71.637  3.5375  2818.98    274.476  2582.86    376.161  3087.85    401.403  67.857  5.1567  74.293  5.0179  -6.435226      7.195135  
1 1 1 2   20  31 o 86.678  2.9371  4117.97    275.734  3841.06    344.190  4614.08    460.698  83.372  3.8116  90.797  4.7008  -7.424294      6.051882  
1 1 1 2   20  32 o 60.556  2.1934  2002.79    143.860  1276.51    337.704  2163.81    159.010  46.232  6.9598  62.909  2.3337  -16.67623      7.340635  
1 1 1 2   20  33 o 18.051  6.9957  155.707    195.215  271.235    248.108  -32.0471   316.296  21.659  7.9998  17.715  7.9472  3.943922       11.27634  
1 1 1 2   20  34 o 21.457  8.6182  253.195    305.978  76.338     360.647  707.537    578.045  19.585  8.6534  29.382  11.830  -9.797277      14.65700  
1 1 1 2   20  35 o 30.769  9.2838  721.914    335.230  745.282    391.457  657.643    649.203  30.267  10.140  27.256  11.836  3.011147       15.58562  
1 1 1 2   20  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   21  0  o 143.980 3.1094  11230.34   484.905  11966.36   685.973  10495.24   685.547  148.602 4.2620  139.162 4.5483  9.439911       6.233085  
1 1 1 2   21  1  o 225.853 4.1452  27640.65   1014.01  27875.47   1434.17  27405.92   1433.89  226.744 5.8397  224.824 5.8885  1.920013       8.293166  
1 1 1 2   21  2  o 213.009 4.0086  24585.04   924.838  24927.42   1307.95  24242.68   1307.89  214.430 5.6316  211.462 5.7104  2.968826       8.020243  
1 1 1 2   21  3  o 335.076 6.7366  60892.97   2444.87  61327.32   2994.08  60023.82   4235.39  336.147 8.2236  332.172 11.772  3.974426       14.36017  
1 1 1 2   21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   21  5  o 407.929 6.9645  90221.55   3077.10  91258.70   4351.94  89184.63   4351.42  410.035 9.7992  405.338 9.9116  4.696960       13.93788  
1 1 1 2   21  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   21  8  o 699.413 16.296  265966.50  12345.07 0.0000     0.0000   265966.50  12345.07 ?       ?       699.413 16.296  0.000000       16.29633  
1 1 1 2   21  9  o 193.516 3.7081  20284.72   777.209  18838.63   1553.27  20767.71   897.665  186.425 7.6926  195.800 4.2328  -9.375305      8.780237  
1 1 1 2   21  10 o 276.720 5.1435  41487.16   1541.59  43268.09   2879.91  40771.91   1825.09  282.450 9.4139  274.298 6.1431  8.151459       11.24095  
1 1 1 2   21  11 o 117.122 4.0492  7431.11    513.660  0.0000     0.0000   7431.11    513.660  ?       ?       117.122 4.0492  0.000000       4.049165  
1 1 1 2   21  12 o 445.625 8.1340  107696.50  3925.95  108374.30  11102.08 107599.60  4197.13  444.189 23.156  445.379 8.7007  -1.189392      24.73711  
1 1 1 2   21  13 o 142.892 3.2686  11060.70   505.870  11112.95   991.679  11042.32   588.149  143.170 6.3951  142.766 3.8036  0.4039612      7.440767  
1 1 1 2   21  14 o 390.435 8.2826  82748.41   3502.56  85500.00   5472.50  80839.13   4558.55  396.235 12.752  385.570 10.916  10.66495       16.78557  
1 1 1 2   21  15 f 258.165 7.6127  36185.34   2128.65  36526.16   2605.02  35500.48   3692.71  259.219 9.2784  254.686 13.434  4.533508       16.32680  
1 1 1 2   21  16 o 199.597 3.8203  21591.88   825.897  21213.15   1167.06  21971.83   1168.94  197.758 5.4486  201.269 5.3622  -3.510422      7.644658  
1 1 1 2   21  17 o 163.898 3.4177  14558.11   606.711  14782.18   856.904  14332.87   859.139  165.096 4.7921  162.563 4.8795  2.532730       6.839098  
1 1 1 2   21  18 o 206.211 4.1465  23057.48   926.119  21963.70   1235.37  24460.94   1399.37  201.151 5.6703  212.240 6.0874  -11.08943      8.319198  
1 1 1 2   21  19 o 242.712 4.6763  31960.34   1229.31  33497.48   1632.19  29945.36   1868.74  248.327 6.0684  234.624 7.3537  13.70264       9.534291  
1 1 1 2   21  20 o 109.561 2.9338  6505.79    348.140  7315.39    484.419  5640.96    500.672  116.145 3.8508  101.963 4.5336  14.18187       5.948281  
1 1 1 2   21  21 o 310.840 5.4119  52493.80   1822.05  54316.79   2577.89  50673.98   2575.65  315.716 7.5387  304.879 7.7999  10.83722       10.84759  
1 1 1 2   21  22 o 90.857  2.6371  4474.63    259.508  4521.85    366.727  4427.27    367.274  91.295  3.7087  90.333  3.7538  0.9618912      5.276925  
1 1 1 2   21  23 f 166.789 5.0082  15129.93   904.729  15860.68   1280.66  14401.88   1278.30  170.434 6.9376  162.342 7.2700  8.092117       10.04902  
1 1 1 2   21  24 o 87.089  3.6428  4120.53    343.609  3723.40    584.373  4330.40    424.804  82.228  6.6175  89.214  4.3963  -6.986305      7.944678  
1 1 1 2   21  25 o 95.976  3.0273  5004.03    314.695  5620.08    446.874  4397.96    443.240  101.585 4.0615  89.682  4.5784  11.90363       6.120250  
1 1 1 2   21  26 o 87.165  3.1631  4133.91    298.629  4424.92    427.490  3856.56    417.342  89.987  4.3861  83.847  4.6133  6.140419       6.365512  
1 1 1 2   21  27 o 27.013  6.8224  421.378    199.661  338.706    306.569  482.274    263.114  25.621  8.9617  28.865  8.0907  -3.243937      12.07355  
1 1 1 2   21  28 o 55.972  2.4082  1704.02    145.995  1719.20    165.184  1649.80    312.092  56.188  2.7143  54.362  5.3707  1.826263       6.017621  
1 1 1 2   21  29 o 68.557  3.7169  2585.06    274.966  2621.31    387.283  2548.22    390.456  68.518  5.2588  67.501  5.3855  1.016808       7.527139  
1 1 1 2   21  30 o 18.513  7.1567  139.354    203.910  122.078    273.811  160.866    305.533  19.950  8.1033  21.429  8.6102  -1.479527      11.82367  
1 1 1 2   21  31 o 48.144  4.5832  1303.06    236.110  1311.71    321.183  1292.89    348.280  47.505  6.4055  46.812  7.0912  0.6932487      9.555913  
1 1 1 2   21  32 o 75.271  3.5547  3137.94    289.800  3084.07    398.141  3198.63    422.634  73.666  5.0199  74.868  5.2451  -1.201363      7.260146  
1 1 1 2   21  33 o 46.205  4.8965  1241.38    241.310  1440.74    326.921  1002.73    357.679  48.740  6.3431  38.714  8.7375  10.02633       10.79718  
1 1 1 2   21  34 o 25.173  10.894  372.671    546.265  0.0000     0.0000   372.671    546.265  ?       ?       25.173  10.894  0.000000       10.89425  
1 1 1 2   21  35 o 25.180  11.314  441.741    643.677  0.0000     0.0000   441.741    643.677  ?       ?       25.180  11.314  0.000000       11.31381  
1 1 1 2   21  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   22  0  o 197.200 3.7778  21069.89   806.897  21548.04   1141.45  20592.29   1140.80  199.380 5.2857  194.904 5.4041  4.475983       7.559277  
1 1 1 2   22  1  o 114.947 2.7956  7157.23    348.048  7345.19    492.416  6969.57    492.014  116.432 3.9047  113.414 4.0053  3.017662       5.593714  
1 1 1 2   22  2  o 351.471 6.0872  66979.17   2317.28  67073.00   3277.16  66885.34   3277.10  351.507 8.6078  351.013 8.6198  0.4932251      12.18177  
1 1 1 2   22  3  o 368.948 6.3576  73805.81   2540.56  69461.58   3592.76  78150.68   3593.03  357.684 9.2738  379.451 8.7425  -21.76636      12.74500  
1 1 1 2   22  4  o 414.360 8.0965  93138.33   3633.67  94618.42   4450.22  90177.74   6293.99  417.471 9.8420  406.997 14.278  10.47382       17.34142  
1 1 1 2   22  5  o 515.903 9.9940  144442.20  5584.39  144634.00  6839.36  144058.70  9672.70  515.973 12.238  514.121 17.371  1.851929       21.24873  
1 1 1 2   22  6  o 361.946 6.2181  70993.55   2437.66  71971.48   3447.83  70016.14   3446.91  364.311 8.7378  359.322 8.8568  4.989471       12.44155  
1 1 1 2   22  7  o 460.523 7.7225  114957.20  3851.94  114535.10  7705.06  115097.90  4447.61  459.049 15.497  460.736 8.9126  -1.686798      17.87710  
1 1 1 2   22  8  o 525.968 8.7663  149988.30  4993.96  143809.30  9988.55  152047.59  5766.40  514.079 17.939  529.470 10.055  -15.39081      20.56507  
1 1 1 2   22  9  o 242.751 4.4171  31922.52   1161.38  33009.50   2323.69  31560.58   1340.86  246.740 8.6950  241.358 5.1292  5.381897       10.09511  
1 1 1 2   22  10 o 785.623 14.936  335521.50  12709.30 0.0000     0.0000   335521.50  12709.30 ?       ?       785.623 14.936  0.000000       14.93609  
1 1 1 2   22  11 o 282.369 5.6932  43206.02   1741.18  48736.52   3020.91  40454.75   2130.70  299.742 9.3051  273.181 7.2012  26.56195       11.76609  
1 1 1 2   22  12 o 189.531 3.9184  19460.34   804.385  18821.24   1527.70  19705.48   946.164  186.304 7.5708  190.709 4.5806  -4.404358      8.848720  
1 1 1 2   22  13 o 117.232 2.9165  7444.53    370.314  6684.03    749.170  7690.42    425.995  110.857 6.2651  119.148 3.3010  -8.290695      7.081531  
1 1 1 2   22  14 o 502.877 8.4303  137298.00  4591.71  142319.41  9183.21  135624.09  5302.09  510.132 16.620  499.581 9.7988  10.55066       19.29389  
1 1 1 2   22  15 o 192.128 5.7912  20020.74   1205.13  17993.45   1971.75  21229.68   1522.63  181.588 10.065  197.768 7.1083  -16.17978      12.32170  
1 1 1 2   22  16 o 139.673 3.6456  10572.56   551.509  11164.34   958.672  10279.83   674.255  143.430 6.1710  137.698 4.5209  5.732086       7.649866  
1 1 1 2   22  17 o 296.295 5.6178  47639.95   1802.84  48220.13   2767.41  47212.18   2376.27  297.692 8.5829  294.737 7.4437  2.955322       11.36117  
1 1 1 2   22  18 o 159.026 3.5177  13708.12   605.901  13930.17   893.065  13518.74   824.753  160.225 5.1462  157.860 4.8237  2.364990       7.053452  
1 1 1 2   22  19 o 356.896 6.5154  69225.41   2518.57  61589.50   3882.74  74772.12   3309.22  335.634 10.681  370.523 8.2459  -34.88898      13.49347  
1 1 1 2   22  20 o 324.880 5.6299  57329.78   1981.03  59199.45   2801.70  55460.38   2801.50  329.673 7.8464  319.030 8.1075  10.64322       11.28261  
1 1 1 2   22  21 o 64.140  3.4221  2237.19    236.878  2225.99    335.236  2248.36    334.758  63.841  4.8852  64.167  4.8525  -0.3259811     6.885685  
1 1 1 2   22  22 o 67.918  3.0346  2501.25    223.236  2072.28    486.672  2615.55    251.225  61.179  7.5017  69.444  3.3401  -8.264721      8.211675  
1 1 1 2   22  23 o 139.041 4.7767  10511.79   719.347  10053.98   1065.04  10895.84   975.476  135.428 7.2876  141.337 6.3722  -5.908707      9.680610  
1 1 1 2   22  24 o 71.448  2.8295  2770.03    218.962  1994.83    493.539  2960.01    244.323  59.755  7.8127  73.845  3.0547  -14.08963      8.388645  
1 1 1 2   22  25 o 48.464  3.8441  1286.52    200.128  1628.76    285.202  954.526    280.896  54.398  4.8930  41.196  6.5119  13.20202       8.145287  
1 1 1 2   22  26 o 82.404  3.2019  3695.43    285.780  3793.51    410.512  3603.20    398.083  83.157  4.5754  81.043  4.5536  2.113983       6.455171  
1 1 1 2   22  27 o 159.874 3.4602  13940.89   599.163  14335.15   850.959  13553.26   843.775  161.560 4.8630  157.048 4.9605  4.512070       6.946600  
1 1 1 2   22  28 o 60.727  2.4160  2005.96    158.909  2081.68    182.789  1771.62    321.558  61.825  2.7297  56.357  5.3313  5.468128       5.989502  
1 1 1 2   22  29 o 58.055  2.4464  1835.46    153.826  1540.97    331.895  1916.02    173.597  52.170  5.9818  59.279  2.7038  -7.108669      6.564459  
1 1 1 2   22  30 o 74.896  2.3505  3057.48    190.676  3099.50    386.450  3043.96    219.218  74.505  4.8146  74.651  2.7112  -0.1458969     5.525542  
1 1 1 2   22  31 o 43.477  1.9977  1029.47    94.072   749.565    307.603  1058.35    98.806   34.924  8.2613  44.073  2.0699  -9.148872      8.516624  
1 1 1 2   22  32 o 52.140  2.3849  1487.63    134.680  1626.62    293.189  1450.45    151.625  53.314  5.1410  51.330  2.7371  1.984360       5.824268  
1 1 1 2   22  33 o 42.963  6.5042  1131.62    293.189  1131.24    522.878  1131.80    354.091  38.025  11.622  41.653  8.1405  -3.628468      14.18900  
1 1 1 2   22  34 o 18.734  8.9706  -324.1459  518.832  0.0000     0.0000   -324.1459  518.832  ?       ?       18.734  8.9706  0.000000       8.970619  
1 1 1 2   22  35 o 18.626  8.7191  -91.3684   439.856  0.0000     0.0000   -91.3684   439.856  ?       ?       18.626  8.7191  0.000000       8.719067  
1 1 1 2   22  36 o 24.317  11.643  393.260    873.386  0.0000     0.0000   393.260    873.386  ?       ?       24.317  11.643  0.000000       11.64290  
1 1 1 2   23  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   23  1  o 557.788 13.130  169391.20  7932.31  174057.50  11218.42 164725.59  11217.54 563.989 18.365  548.500 18.882  15.48889       26.34022  
1 1 1 2   23  2  o 513.766 12.158  143565.30  6765.51  142674.00  9568.08  144456.41  9567.67  511.044 17.286  514.254 17.177  -3.210266      24.36948  
1 1 1 2   23  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   23  4  o 152.746 3.2501  12638.17   537.699  12468.51   760.759  12807.52   760.084  151.699 4.6302  153.748 4.5644  -2.049500      6.501687  
1 1 1 2   23  5  o 223.367 4.0966  27028.12   991.093  27421.00   1402.09  26635.77   1401.14  224.950 5.7547  221.704 5.8350  3.246216       8.195317  
1 1 1 2   23  6  o 186.113 3.6333  18762.18   732.391  19081.33   1036.45  18443.88   1035.06  187.670 5.0990  184.507 5.1795  3.162598       7.268192  
1 1 1 2   23  7  f 425.110 8.3328  97969.25   3836.73  92641.27   6646.09  100632.40  4698.77  412.925 14.860  430.747 10.071  -17.82162      17.95159  
1 1 1 2   23  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   23  9  o 766.540 14.562  319292.81  12090.32 313651.31  20941.35 322113.50  14807.45 757.072 25.539  769.279 17.772  -12.20728      31.11351  
1 1 1 2   23  10 o 976.106 22.647  520606.50  23943.06 0.0000     0.0000   520606.50  23943.06 ?       ?       976.106 22.647  0.000000       22.64709  
1 1 1 2   23  11 o 905.133 21.022  447525.19  20609.40 476226.81  29146.63 418825.81  29145.56 930.137 28.932  871.299 30.884  58.83783       42.31855  
1 1 1 2   23  12 o 377.848 6.4597  77393.31   2643.62  81131.66   5288.02  76147.69   3052.44  386.328 12.638  374.729 7.5207  11.59824       14.70620  
1 1 1 2   23  13 o 442.446 7.4557  106189.30  3572.91  104957.70  7145.71  106599.90  4125.66  438.761 15.037  443.180 8.5949  -4.419342      17.31964  
1 1 1 2   23  14 o 433.887 7.3202  102154.70  3440.10  114941.20  6880.86  97893.68   3972.15  459.067 13.839  424.576 8.6377  34.49106       16.31323  
1 1 1 2   23  15 o 567.363 13.424  175799.80  8249.28  182730.59  11666.09 168868.59  11666.39 576.175 18.694  553.516 19.460  22.65869       26.98413  
1 1 1 2   23  16 o 298.946 6.1366  48500.23   1986.98  48006.55   4965.14  48594.37   2168.16  295.332 15.577  299.176 6.6911  -3.843842      16.95345  
1 1 1 2   23  17 o 432.372 8.4520  101718.10  3958.11  103461.80  6855.85  100846.30  4847.60  434.055 14.583  429.995 10.409  4.059601       17.91657  
1 1 1 2   23  18 o 289.442 5.9237  45490.39   1857.06  45400.88   3216.97  45535.14   2274.27  288.382 10.299  289.392 7.2558  -1.009399      12.59852  
1 1 1 2   23  19 o 130.748 3.1101  9265.41    440.428  9301.05    621.074  9229.37    624.659  130.946 4.3791  130.438 4.4215  0.5076447      6.222993  
1 1 1 2   23  20 o 310.298 5.4600  52292.16   1835.01  53145.08   2594.51  51438.49   2595.67  312.385 7.6682  307.299 7.7986  5.086121       10.93710  
1 1 1 2   23  21 o 160.194 3.5019  13916.99   607.611  14349.53   894.672  13546.69   827.802  162.538 5.0820  157.948 4.8389  4.590561       7.017234  
1 1 1 2   23  22 o 41.470  1.8090  931.761    81.255   403.717    391.384  955.545    83.064   28.827  10.123  41.996  1.8262  -13.16885      10.28673  
1 1 1 2   23  23 o 134.430 4.5666  9823.83    664.906  9374.14    940.197  10273.76   940.441  130.873 6.6547  137.234 6.3270  -6.361176      9.182416  
1 1 1 2   23  24 o 10.756  2.1164  64.922     23.778   64.770     23.837   95.986     339.945  10.743  2.1239  21.901  8.9774  -11.15887      9.225222  
1 1 1 2   23  25 o 85.407  3.0442  3963.71    281.605  3499.40    398.051  4428.94    398.448  79.944  4.6167  90.160  4.0803  -10.21561      6.161407  
1 1 1 2   23  26 o 121.621 3.1798  8050.10    418.873  7394.92    592.447  8704.95    592.305  116.227 4.7062  126.205 4.3331  -9.978500      6.397210  
1 1 1 2   23  27 o 57.806  3.8059  1833.31    236.955  1987.55    354.736  1709.04    318.410  59.782  5.5416  55.445  5.3694  4.336884       7.716195  
1 1 1 2   23  28 o 71.969  2.3075  2816.48    179.872  2922.41    254.476  2710.71    254.278  73.171  3.2110  70.450  3.3324  2.721466       4.627666  
1 1 1 2   23  29 o 27.858  6.9110  455.910    207.520  382.455    278.643  547.395    310.967  25.984  8.5496  30.296  8.8938  -4.311502      12.33676  
1 1 1 2   23  30 o 42.697  6.2167  1050.71    279.050  621.673    493.804  1251.99    338.235  32.223  11.366  46.349  6.9520  -14.12638      13.32360  
1 1 1 2   23  31 o 65.395  2.6734  2339.66    189.357  2116.58    553.612  2369.21    201.511  58.771  8.9822  65.767  2.8289  -6.995190      9.417138  
1 1 1 2   23  32 o 28.515  1.6545  444.082    50.878   446.302    51.537   358.945    319.206  28.584  1.6720  24.925  9.0947  3.658648       9.247101  
1 1 1 2   23  33 o 4.4700  2.1037  -28.1175   26.202   -47.2410   472.526  -28.0585   26.243   20.567  9.4174  4.4768  2.1065  16.09008       9.650107  
1 1 1 2   23  34 o 34.213  2.7039  653.198    99.380   0.0000     0.0000   653.198    99.380   ?       ?       34.213  2.7039  0.000000       2.703936  
1 1 1 2   23  35 o 34.354  10.816  1007.23    449.109  0.0000     0.0000   1007.23    449.109  ?       ?       34.354  10.816  0.000000       10.81582  
1 1 1 2   23  36 f 28.400  12.956  1069.99    883.683  0.0000     0.0000   1069.99    883.683  ?       ?       28.400  12.956  0.000000       12.95620  
1 1 1 2   24  0  o 509.941 17.138  142007.91  9465.82  142007.91  9465.82  0.0000     0.0000   509.941 17.138  ?       ?       0.000000       17.13832  
1 1 1 2   24  1  o 220.353 4.0935  26307.71   976.979  27062.42   1382.09  25553.94   1381.22  223.442 5.7108  217.120 5.8735  6.322449       8.192160  
1 1 1 2   24  2  f 545.679 12.936  161962.09  7645.66  165957.70  10811.49 157964.80  10813.71 551.217 18.109  537.662 18.569  13.55548       25.93745  
1 1 1 2   24  3  o 599.037 19.992  196143.80  12971.21 0.0000     0.0000   196143.80  12971.21 ?       ?       599.037 19.992  0.000000       19.99202  
1 1 1 2   24  4  o 140.921 3.0952  10756.56   472.428  10437.08   668.261  11075.76   667.966  138.798 4.4452  142.983 4.3132  -4.185364      6.193833  
1 1 1 2   24  5  o 456.786 8.9305  113151.00  4418.35  115170.40  5411.34  109112.00  7652.85  460.695 10.845  447.912 15.775  12.78299       19.14288  
1 1 1 2   24  6  o 370.440 6.3539  74360.37   2549.36  74975.70   3605.76  73745.34   3604.91  371.857 8.9526  368.789 9.0250  3.067383       12.71220  
1 1 1 2   24  7  f 517.887 8.6149  145406.30  4832.29  147226.59  6834.30  143586.50  6833.48  520.842 12.115  514.349 12.266  6.493042       17.24043  
1 1 1 2   24  8  o 388.224 6.6308  81676.76   2788.16  76050.95   5576.96  83551.46   3219.37  374.200 13.760  392.615 7.5707  -18.41486      15.70532  
1 1 1 2   24  9  o 601.716 9.9660  196394.00  6495.05  198542.00  12991.65 195678.20  7499.54  603.541 19.874  600.453 11.531  3.088196       22.97725  
1 1 1 2   24  10 o 463.935 10.090  116774.00  5069.96  0.0000     0.0000   116774.00  5069.96  ?       ?       463.935 10.090  0.000000       10.08967  
1 1 1 2   24  11 o 366.776 7.2013  72928.94   2860.76  78827.67   4958.09  69985.11   3502.60  380.963 12.016  359.191 9.0032  21.77228       15.01472  
1 1 1 2   24  12 o 244.081 4.4545  32279.11   1177.61  32994.79   2359.39  32041.67   1358.99  246.593 8.8338  243.161 5.1600  3.432236       10.23046  
1 1 1 2   24  13 o 300.467 5.6436  48940.03   1836.64  53207.31   3423.21  47215.13   2176.41  312.952 10.099  295.058 6.8102  17.89395       12.18083  
1 1 1 2   24  14 o 380.672 6.4849  78605.21   2673.78  90112.84   5349.12  74772.30   3087.12  406.754 12.142  371.153 7.6795  35.60129       14.36646  
1 1 1 2   24  15 f 217.819 6.7260  25750.55   1586.80  26599.61   2681.53  25293.02   1968.44  220.663 11.257  215.740 8.4241  4.922073       14.06019  
1 1 1 2   24  16 o 218.685 4.3415  25926.81   1028.33  28166.46   1932.38  25041.97   1214.60  227.657 7.8368  214.869 5.2190  12.78763       9.415626  
1 1 1 2   24  17 o 267.741 5.0850  38889.09   1474.62  36682.47   3925.84  39251.56   1591.13  258.164 14.093  268.950 5.4622  -10.78534      15.11474  
1 1 1 2   24  18 o 136.687 3.1873  10125.92   471.874  11188.49   943.531  9771.51    544.914  143.533 6.0692  134.254 3.7474  9.279251       7.132933  
1 1 1 2   24  19 o 170.282 4.1043  15725.56   756.972  15104.19   1306.91  16039.26   928.597  166.629 7.2414  171.913 4.9871  -5.283417      8.792566  
1 1 1 2   24  20 o 175.346 4.4597  16682.98   846.981  16597.61   1712.09  16710.64   974.593  174.130 9.1095  175.436 5.1290  -1.306259      10.45418  
1 1 1 2   24  21 o 221.061 5.9434  26573.20   1423.04  26971.91   2012.51  26174.51   2012.45  222.269 8.3596  218.932 8.4868  3.337265       11.91260  
1 1 1 2   24  22 o 130.140 4.7414  9201.57    668.323  8364.30    917.580  10147.63   975.368  123.672 6.8774  136.462 6.5991  -12.78999      9.531369  
1 1 1 2   24  23 f 78.344  3.6459  3332.29    309.374  4322.12    538.112  2843.57    378.113  88.897  5.6177  72.138  4.8678  16.75836       7.433271  
1 1 1 2   24  24 o 43.575  1.5538  1028.97    73.336   879.972    105.594  1167.80    101.927  40.205  2.4364  46.412  2.0277  -6.206856      3.169777  
1 1 1 2   24  25 o 190.103 4.7715  19739.16   982.450  21171.70   2049.28  19311.65   1119.49  194.037 9.7825  187.770 5.5046  6.267014       11.22482  
1 1 1 2   24  26 o 183.325 4.3028  18369.48   854.367  19223.37   1486.88  17948.59   1043.91  185.882 7.3853  180.769 5.3317  5.113754       9.108796  
1 1 1 2   24  27 o 69.245  2.7923  2609.31    209.419  2576.20    459.884  2617.97    235.222  67.857  6.3304  69.317  3.1331  -1.460083      7.063278  
1 1 1 2   24  28 o 43.056  2.2895  1010.82    106.383  989.201    114.486  1147.53    287.906  42.564  2.4942  45.028  6.0570  -2.463642      6.550447  
1 1 1 2   24  29 o 54.689  4.5566  1663.03    267.451  1475.97    408.194  1803.73    354.028  50.283  7.7435  56.502  5.8707  -6.218739      9.717396  
1 1 1 2   24  30 o 116.074 3.8525  7426.61    484.332  8003.06    843.934  7143.51    591.423  118.340 6.6107  113.280 4.8203  5.060219       8.181442  
1 1 1 2   24  31 o 60.308  4.8029  2046.72    311.126  1929.17    549.470  2102.19    377.466  55.716  9.4425  60.601  5.8225  -4.885017      11.09331  
1 1 1 2   24  32 o ?       ?       -131.4264  32.219   -138.2249  32.489   272.629    250.467  ?       ?       22.184  8.0620  0.000000       8.062003  
1 1 1 2   24  33 o 22.402  8.1091  308.298    253.042  -420.4695  481.091  587.019    297.521  17.743  8.5335  29.273  8.7266  -11.53003      12.20548  
1 1 1 2   24  34 o 19.193  8.7893  -29.6974   411.782  0.0000     0.0000   -29.6974   411.782  ?       ?       19.193  8.7893  0.000000       8.789286  
1 1 1 2   24  35 o 26.919  2.4083  404.678    69.474   0.0000     0.0000   404.678    69.474   ?       ?       26.919  2.4083  0.000000       2.408273  
1 1 1 2   24  36 o 16.854  8.5584  -1669.6130 819.469  0.0000     0.0000   -1669.6130 819.469  ?       ?       16.854  8.5584  0.000000       8.558356  
1 1 1 2   25  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   25  1  o 183.865 3.6229  18313.72   721.480  18725.38   1020.37  17902.13   1020.28  185.891 5.0679  181.756 5.1828  4.134827       7.248766  
1 1 1 2   25  2  o 387.661 6.6783  81467.56   2804.07  80460.11   3965.58  82474.99   3965.53  385.055 9.5085  389.857 9.3913  -4.801270      13.36446  
1 1 1 2   25  3  o 497.885 9.6658  134501.30  5212.40  133651.20  6383.62  136201.91  9028.84  496.068 11.881  500.084 16.669  -4.015625      20.47017  
1 1 1 2   25  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   25  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   25  6  o 607.150 11.631  200029.70  7648.79  193390.70  9367.64  213309.30  13248.62 596.662 14.495  625.849 19.545  -29.18677      24.33346  
1 1 1 2   25  7  o 587.854 11.223  187494.41  7145.89  194036.30  8752.12  174412.59  12376.37 597.771 13.518  565.799 20.196  31.97223       24.30233  
1 1 1 2   25  8  o 339.862 5.8721  62586.36   2161.55  59867.27   4324.04  63492.20   2495.77  332.113 12.021  342.284 6.7320  -10.17087      13.77752  
1 1 1 2   25  9  o 721.730 13.665  282968.59  10681.79 297471.59  18503.28 275719.31  13081.81 737.857 23.153  711.827 16.968  26.02979       28.70474  
1 1 1 2   25  10 o 496.419 10.781  133741.30  5796.79  0.0000     0.0000   133741.30  5796.79  ?       ?       496.419 10.781  0.000000       10.78125  
1 1 1 2   25  11 o 673.977 12.760  246844.41  9314.90  271926.19  16135.62 234307.50  11407.77 705.287 21.123  655.982 16.056  49.30469       26.53233  
1 1 1 2   25  12 o 545.932 9.0717  161754.20  5364.10  168913.30  10729.05 159368.30  6193.76  556.173 17.811  541.684 10.557  14.48889       20.70435  
1 1 1 2   25  13 o 453.465 8.1343  111599.20  3995.14  122363.20  7398.75  107169.00  4746.62  473.743 14.419  444.148 9.8670  29.59406       17.47213  
1 1 1 2   25  14 o 164.967 3.6227  14745.74   647.283  15538.37   1242.79  14450.69   758.244  169.230 6.7803  163.291 4.2872  5.938934       8.022044  
1 1 1 2   25  15 o 415.796 9.1060  94018.29   4100.90  101990.70  6399.09  88462.14   5342.06  431.939 13.678  402.645 12.249  29.29352       18.36136  
1 1 1 2   25  16 o 408.251 7.5455  90562.10   3336.46  94906.48   9371.57  89931.53   3570.40  412.800 21.030  406.723 8.1049  6.076904       22.53794  
1 1 1 2   25  17 o 297.598 5.1739  48050.57   1667.70  51522.07   3333.25  46891.43   1926.10  307.385 10.012  293.887 6.0510  13.49872       11.69838  
1 1 1 2   25  18 o 217.603 4.1086  25676.72   968.334  27428.21   1936.12  25092.45   1118.24  224.497 7.9625  215.062 4.8007  9.435745       9.297761  
1 1 1 2   25  19 o 241.145 4.6788  31551.64   1222.02  28814.53   3176.02  32027.27   1323.94  228.675 12.876  242.919 5.0320  -14.24400      13.82389  
1 1 1 2   25  20 o 45.757  5.7130  1155.06    276.964  1173.41    391.945  1136.76    391.430  45.712  8.2185  44.954  8.3465  0.7577209      11.71358  
1 1 1 2   25  21 f 154.810 4.8060  13014.15   805.844  14503.38   1140.77  11530.85   1138.50  163.250 6.4517  145.472 7.2258  17.77780       9.686931  
1 1 1 2   25  22 o 106.037 3.2478  6098.54    373.006  6890.02    622.070  5654.22    466.092  112.580 5.1016  102.047 4.2170  10.53320       6.618862  
1 1 1 2   25  23 o 164.727 4.0495  14742.25   722.491  13326.63   1249.97  15452.48   885.370  156.034 7.3962  168.530 4.8504  -12.49625      8.844804  
1 1 1 2   25  24 o 140.562 3.7655  10742.04   573.281  11586.82   993.582  10320.46   701.900  145.470 6.3061  137.624 4.7088  7.846085       7.870161  
1 1 1 2   25  25 o 49.796  2.4589  1346.04    132.618  1301.13    149.661  1510.21    286.155  48.858  2.8404  52.300  5.1172  -3.442242      5.852637  
1 1 1 2   25  26 o 68.311  2.3205  2534.04    171.687  2463.68    260.568  2588.02    228.236  67.132  3.5967  68.965  3.0555  -1.832809      4.719369  
1 1 1 2   25  27 o 71.765  2.8499  2803.53    221.519  2872.07    283.275  2695.65    355.405  72.525  3.6062  69.906  4.7217  2.619446       5.941272  
1 1 1 2   25  28 o 84.651  2.8743  3905.99    263.531  3577.95    407.017  4142.77    345.800  80.457  4.6910  87.002  3.6697  -6.545113      5.955825  
1 1 1 2   25  29 o 47.781  1.7210  1240.01    89.067   1316.18    93.840   547.808    282.879  49.224  1.7601  30.276  8.3540  18.94818       8.537412  
1 1 1 2   25  30 o 32.330  7.3075  624.022    249.869  721.740    473.844  586.383    294.079  33.933  11.148  31.023  8.5003  2.910030       14.01935  
1 1 1 2   25  31 o 23.274  7.9311  307.574    239.524  45.383     468.309  400.462    278.742  22.922  10.002  25.978  8.5513  -3.055920      13.15931  
1 1 1 2   25  32 o 54.063  2.4959  1602.66    146.148  1629.17    164.481  1503.24    318.552  54.352  2.8036  50.664  5.9165  3.687458       6.547182  
1 1 1 2   25  33 o 32.210  1.4191  565.179    49.510   0.0000     0.0000   565.179    49.510   ?       ?       32.210  1.4191  0.000000       1.419144  
1 1 1 2   25  34 o 26.943  10.613  547.463    455.269  0.0000     0.0000   547.463    455.269  ?       ?       26.943  10.613  0.000000       10.61279  
1 1 1 2   25  35 o 25.219  10.185  494.910    429.864  0.0000     0.0000   494.910    429.864  ?       ?       25.219  10.185  0.000000       10.18464  
1 1 1 2   25  36 o 28.837  12.449  982.043    709.710  0.0000     0.0000   982.043    709.710  ?       ?       28.837  12.449  0.000000       12.44885  
1 1 1 2   26  0  o 554.387 13.053  167064.00  7837.50  168846.50  11084.21 165281.80  11083.58 556.318 18.395  550.371 18.593  5.947571       26.15534  
1 1 1 2   26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   26  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   26  3  o 271.812 4.8499  40027.91   1427.83  40818.38   2019.44  39237.74   2019.07  274.427 6.7941  269.057 6.9285  5.370331       9.703796  
1 1 1 2   26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   26  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   26  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   26  7  o 637.575 12.192  220632.30  8419.23  217583.00  10311.42 226730.80  14582.49 632.786 15.045  644.944 20.876  -12.15741      25.73213  
1 1 1 2   26  8  o 760.464 25.198  316339.50  20754.50 0.0000     0.0000   316339.50  20754.50 ?       ?       760.464 25.198  0.000000       25.19785  
1 1 1 2   26  9  o 241.166 5.0563  31510.91   1320.73  0.0000     0.0000   31510.91   1320.73  ?       ?       241.166 5.0563  0.000000       5.056255  
1 1 1 2   26  10 o 173.882 4.9780  16381.48   937.509  0.0000     0.0000   16381.48   937.509  ?       ?       173.882 4.9780  0.000000       4.977951  
1 1 1 2   26  11 o 539.290 8.9653  157782.91  5236.72  166102.59  10475.01 155010.80  6046.54  551.939 17.522  534.361 10.447  17.57794       20.40048  
1 1 1 2   26  12 o 186.275 3.8826  18798.88   783.334  20997.31   1489.83  17958.90   920.902  196.774 6.9903  182.049 4.6704  14.72502       8.406999  
1 1 1 2   26  13 o 387.546 6.6050  81457.45   2772.46  83661.43   5546.14  80723.23   3201.12  391.910 13.066  385.697 7.6628  6.213074       15.14700  
1 1 1 2   26  14 o 377.694 7.0358  77416.24   2878.23  86880.64   5340.88  73542.63   3416.84  399.244 12.351  367.936 8.5740  31.30798       15.03535  
1 1 1 2   26  15 o 366.403 8.0877  72950.91   3209.64  75194.17   5019.61  71399.38   4174.55  371.125 12.488  362.037 10.646  9.088379       16.40970  
1 1 1 2   26  16 o 291.518 5.1933  46097.15   1639.74  48304.20   3277.70  45360.40   1893.75  297.736 10.164  289.096 6.0480  8.639343       11.82737  
1 1 1 2   26  17 o 248.329 4.5569  33444.61   1225.64  33997.88   2447.99  33259.52   1415.89  249.842 9.0463  247.579 5.2801  2.262833       10.47454  
1 1 1 2   26  18 o 448.446 7.5981  109404.50  3690.50  112762.80  7378.00  108283.80  4262.01  452.283 15.061  445.790 8.8270  6.492371       17.45723  
1 1 1 2   26  19 o 115.768 4.3186  7269.96    541.506  7560.19    765.006  6978.51    766.607  117.813 6.0152  113.148 6.2801  4.665497       8.696117  
1 1 1 2   26  20 o 41.820  6.1449  970.843    270.038  1058.45    381.680  883.038    382.103  43.323  8.4375  39.436  9.1265  3.887657       12.42919  
1 1 1 2   26  21 o 63.757  4.7982  2219.86    328.913  2773.97    465.313  1666.50    464.995  71.154  6.0966  54.682  8.0958  16.47197       10.13459  
1 1 1 2   26  22 o 147.634 3.3923  11824.02   542.444  12311.24   1068.81  11654.98   629.549  150.287 6.5661  146.528 3.9668  3.759125       7.671322  
1 1 1 2   26  23 o 56.786  3.6962  1758.56    226.100  2204.31    437.799  1596.43    264.037  63.205  6.4871  53.990  4.5578  9.215260       7.928218  
1 1 1 2   26  24 o 45.062  4.2233  1114.87    203.722  1147.98    393.105  1102.71    238.206  44.901  8.3917  44.690  5.0072  0.2109947      9.772021  
1 1 1 2   26  25 o 43.894  4.4184  1062.00    207.205  1170.60    467.395  1035.43    231.162  44.799  9.8966  43.223  5.0320  1.576385       11.10243  
1 1 1 2   26  26 o 34.236  1.4071  635.412    52.178   758.094    74.668   518.331    72.944   37.381  1.8442  30.820  2.1996  6.560823       2.870409  
1 1 1 2   26  27 o 88.161  2.8369  4231.19    270.892  4895.66    423.899  3772.52    352.190  94.553  4.1392  83.050  3.9153  11.50332       5.697608  
1 1 1 2   26  28 o 67.410  2.4821  2473.02    181.219  2797.49    233.480  1981.33    287.409  71.613  3.0102  59.851  4.4658  11.76197       5.385569  
1 1 1 2   26  29 o 58.402  2.4513  1858.25    155.060  1977.41    177.048  1465.92    321.259  60.204  2.7151  50.825  5.9484  9.379032       6.538754  
1 1 1 2   26  30 o 26.741  7.7688  427.276    238.376  209.256    466.407  504.362    277.334  25.247  10.449  28.870  8.3774  -3.623680      13.39283  
1 1 1 2   26  31 o 46.855  5.2457  1251.00    261.646  1463.56    507.860  1174.20    305.278  47.824  10.120  44.810  6.4781  3.014763       12.01595  
1 1 1 2   26  32 o 47.283  5.4324  1298.87    273.155  923.813    518.133  1443.23    321.455  35.740  11.654  49.425  6.1369  -13.68525      13.17077  
1 1 1 2   26  33 o 22.301  8.5441  293.380    288.794  0.0000     0.0000   293.380    288.794  ?       ?       22.301  8.5441  0.000000       8.544107  
1 1 1 2   26  34 o 37.168  2.1979  763.243    88.086   0.0000     0.0000   763.243    88.086   ?       ?       37.168  2.1979  0.000000       2.197867  
1 1 1 2   26  35 o 20.696  9.6828  14.376     541.255  0.0000     0.0000   14.376     541.255  ?       ?       20.696  9.6828  0.000000       9.682779  
1 1 1 2   26  36 o 22.449  10.616  182.423    682.223  0.0000     0.0000   182.423    682.223  ?       ?       22.449  10.616  0.000000       10.61650  
1 1 1 2   27  0  o 350.730 5.9562  66662.15   2262.62  68058.62   3200.10  65266.15   3199.56  354.270 8.3399  346.916 8.5152  7.353790       11.91898  
1 1 1 2   27  1  o 491.655 9.5333  131127.00  5076.62  135565.30  6217.55  122250.30  8793.03  499.716 11.488  473.833 17.133  25.88257       20.62801  
1 1 1 2   27  2  o 484.992 9.4683  127582.80  4973.65  129430.20  6091.27  123887.60  8615.11  488.307 11.517  477.131 16.671  11.17593       20.26217  
1 1 1 2   27  3  o 641.750 21.322  224680.09  14820.66 224680.09  14820.66 0.0000     0.0000   641.750 21.322  ?       ?       0.000000       21.32219  
1 1 1 2   27  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   27  5  o 629.188 14.882  215076.09  10141.58 215076.09  10141.58 0.0000     0.0000   629.188 14.882  ?       ?       0.000000       14.88178  
1 1 1 2   27  6  o 206.228 3.9319  23037.31   878.262  23646.99   1242.89  22429.28   1241.21  208.916 5.4928  203.464 5.6323  5.452499       7.867247  
1 1 1 2   27  7  o 205.850 3.9043  22953.07   870.478  21906.48   1231.83  23996.97   1230.25  201.076 5.6562  210.456 5.3971  -9.380157      7.817994  
1 1 1 2   27  8  o 275.840 4.8754  41221.33   1456.59  42141.85   2061.52  40303.63   2058.35  278.852 6.8257  272.698 6.9690  6.153900       9.754800  
1 1 1 2   27  9  o 499.144 9.5013  135138.91  5136.65  0.0000     0.0000   135138.91  5136.65  ?       ?       499.144 9.5013  0.000000       9.501319  
1 1 1 2   27  10 o 569.810 10.879  176242.00  6714.26  178537.80  11631.18 175094.59  8222.65  572.198 18.768  567.615 13.375  4.583191       23.04572  
1 1 1 2   27  11 o 246.072 4.7438  32809.05   1264.31  33132.18   2372.48  32680.89   1494.15  247.118 8.8640  245.565 5.6177  1.553314       10.49422  
1 1 1 2   27  12 o 93.845  2.6545  4770.40    269.819  5039.72    574.284  4694.10    305.656  96.266  5.5311  93.089  3.0316  3.177521       6.307387  
1 1 1 2   27  13 o 265.081 4.7627  38084.41   1367.41  37976.32   2735.41  38120.43   1578.84  264.382 9.5526  265.170 5.4972  -0.7887878     11.02141  
1 1 1 2   27  14 o 114.130 3.4077  7057.73    421.241  7533.88    734.256  6824.13    514.293  117.861 5.7518  112.210 4.2316  5.651230       7.140765  
1 1 1 2   27  15 o 137.797 3.7838  10290.91   564.730  11697.60   948.716  9518.95    702.806  146.830 5.9655  132.494 4.8974  14.33632       7.718331  
1 1 1 2   27  16 o 85.080  2.9063  3922.12    267.821  3650.06    528.817  4015.98    310.600  81.787  6.0118  86.085  3.3312  -4.297935      6.873073  
1 1 1 2   27  17 o 466.952 7.8746  118602.30  3982.64  131409.91  7964.63  114332.20  4598.89  488.685 15.048  458.082 9.2691  30.60312       17.67333  
1 1 1 2   27  18 f 492.515 9.0058  132216.50  4804.08  133945.70  13656.42 131972.30  5132.11  483.678 26.165  491.831 9.6341  -8.153412      27.88275  
1 1 1 2   27  19 o 250.183 6.4929  34023.93   1759.40  33674.67   2487.11  34373.78   2489.21  248.418 9.2436  251.001 9.1562  -2.583298      13.01080  
1 1 1 2   27  20 o 148.035 4.6945  11894.86   752.698  11460.61   1063.05  12331.44   1065.91  145.129 6.7628  150.566 6.5362  -5.436340      9.405181  
1 1 1 2   27  21 o 159.360 3.5499  13774.30   612.721  12419.83   1372.51  14111.43   684.742  150.552 8.4512  161.272 3.9201  -10.71982      9.316103  
1 1 1 2   27  22 o 261.238 4.7504  37088.80   1344.12  35813.29   2683.03  37516.18   1553.07  255.288 9.7034  262.591 5.4606  -7.302704      11.13437  
1 1 1 2   27  23 o 121.559 3.1316  8019.08    412.305  8194.60    814.552  7958.62    478.073  122.365 6.1658  121.055 3.6462  1.309113       7.163239  
1 1 1 2   27  24 o 129.351 3.2202  9089.16    451.156  8757.57    883.892  9205.99    524.645  126.213 6.4878  130.111 3.7229  -3.898804      7.480065  
1 1 1 2   27  25 o 71.640  3.5811  2794.28    277.865  2702.99    559.130  2824.22    320.204  69.444  7.5557  71.842  4.1325  -2.398621      8.611951  
1 1 1 2   27  26 o 104.023 3.0954  5889.98    348.748  6524.72    609.126  5580.45    425.365  108.992 5.1599  101.105 3.8844  7.887260       6.458557  
1 1 1 2   27  27 o 75.921  2.4564  3134.13    201.994  3235.46    321.537  3068.06    259.619  76.815  3.8772  75.013  3.1954  1.801697       5.024319  
1 1 1 2   27  28 o 105.578 2.9917  6080.80    342.111  6263.95    623.480  6001.90    409.218  106.140 5.4417  104.718 3.6080  1.421997       6.529125  
1 1 1 2   27  29 o 68.781  2.0512  2573.09    152.810  2367.41    272.245  2667.69    184.639  65.511  3.8538  69.972  2.4363  -4.461632      4.559341  
1 1 1 2   27  30 o 34.685  1.2239  652.758    45.978   352.758    471.435  655.639    46.198   27.386  10.796  34.761  1.2270  -7.375443      10.86522  
1 1 1 2   27  31 o 42.676  5.8536  1053.79    263.440  491.177    498.128  1272.25    310.400  29.405  11.232  46.735  6.2920  -17.33003      12.87415  
1 1 1 2   27  32 o 22.401  7.9635  291.335    242.859  619.854    475.329  175.280    282.518  30.263  11.090  20.466  8.2597  9.796293       13.82762  
1 1 1 2   27  33 o 39.220  7.7275  1000.94    316.586  0.0000     0.0000   1000.94    316.586  ?       ?       39.220  7.7275  0.000000       7.727534  
1 1 1 2   27  34 f 36.795  10.418  1056.38    433.957  0.0000     0.0000   1056.38    433.957  ?       ?       36.795  10.418  0.000000       10.41774  
1 1 1 2   27  35 o 22.289  2.1490  276.624    51.235   0.0000     0.0000   276.624    51.235   ?       ?       22.289  2.1490  0.000000       2.148969  
1 1 1 2   27  36 o 22.131  10.510  130.024    682.203  0.0000     0.0000   130.024    682.203  ?       ?       22.131  10.510  0.000000       10.50995  
1 1 1 2   28  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   28  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   28  3  o 304.855 5.3148  50351.56   1754.90  52052.86   2482.07  48650.98   2481.54  309.901 7.3947  299.595 7.6475  10.30634       10.63790  
1 1 1 2   28  4  o 470.024 7.8626  119747.70  4002.71  120429.90  5660.87  119065.60  5660.50  471.153 11.093  468.472 11.156  2.681183       15.73237  
1 1 1 2   28  5  o 197.355 3.7561  21097.22   802.899  21168.42   1136.39  21026.24   1134.56  197.668 5.3079  197.003 5.3172  0.6650848      7.513060  
1 1 1 2   28  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   28  7  o 610.406 11.674  202208.00  7718.00  205096.30  9452.73  196432.09  13367.52 614.438 14.204  600.292 20.560  14.14630       24.98913  
1 1 1 2   28  8  o 114.330 2.7867  7079.77    345.081  7795.45    494.748  6401.75    481.555  119.963 3.8077  108.710 4.0898  11.25336       5.587986  
1 1 1 2   28  9  o 396.877 7.7632  85393.80   3337.10  0.0000     0.0000   85393.80   3337.10  ?       ?       396.877 7.7632  0.000000       7.763249  
1 1 1 2   28  10 o 518.834 9.9968  146078.80  5617.73  145854.50  9732.02  146190.91  6879.63  517.369 17.367  518.768 12.244  -1.399048      21.24941  
1 1 1 2   28  11 o 556.920 9.9721  168384.50  6015.20  185752.70  11122.38 161204.50  7151.26  583.411 17.602  544.594 12.124  38.81641       21.37298  
1 1 1 2   28  12 o 69.203  2.3351  2593.97    175.024  2558.50    429.086  2601.05    191.697  68.450  5.8437  69.296  2.5541  -0.8468094     6.377428  
1 1 1 2   28  13 o 190.165 3.6879  19593.94   759.585  20665.13   1522.38  19238.88   876.478  195.154 7.2024  188.417 4.2949  6.736893       8.385714  
1 1 1 2   28  14 o 176.481 4.1781  16880.59   798.638  18338.46   1378.22  16143.58   979.932  183.814 6.9226  172.545 5.2435  11.26891       8.684305  
1 1 1 2   28  15 o 240.976 5.1026  31492.35   1331.78  33061.35   2311.26  30712.48   1629.48  246.577 8.6542  237.883 6.3244  8.694183       10.71881  
1 1 1 2   28  16 o 311.066 5.4766  52501.59   1845.15  55022.20   3684.25  51657.70   2131.76  317.593 10.710  308.451 6.3809  9.142090       12.46715  
1 1 1 2   28  17 f 132.173 3.1589  9467.66    452.219  9127.38    879.172  9590.07    527.326  129.639 6.2613  133.009 3.6604  -3.369614      7.252798  
1 1 1 2   28  18 o 372.676 9.0896  75718.02   3668.97  77408.48   5188.06  74026.72   5189.34  375.606 12.753  367.198 13.048  8.408020       18.24503  
1 1 1 2   28  19 o 211.626 6.6860  24351.46   1532.52  26039.96   2572.22  23422.24   1908.17  218.117 10.888  207.293 8.4989  10.82471       13.81228  
1 1 1 2   28  20 o 127.980 3.2288  8879.86    447.556  8420.00    902.948  9029.63    515.311  124.212 6.7368  129.033 3.6872  -4.821175      7.679871  
1 1 1 2   28  21 o 221.322 4.2168  26586.50   1010.84  26321.17   2015.30  26675.70   1168.45  219.470 8.4780  221.611 4.8680  -2.140305      9.776201  
1 1 1 2   28  22 o 144.582 3.3274  11340.91   521.058  9920.74    1030.18  11829.13   604.018  134.618 7.0905  147.623 3.7777  -13.00542      8.034016  
1 1 1 2   28  23 o 119.905 3.1385  7803.16    407.602  7907.35    792.561  7765.70    475.271  120.184 6.1087  119.569 3.6699  0.6153564      7.126299  
1 1 1 2   28  24 o 88.672  3.0702  4270.60    294.862  4136.30    579.977  4317.42    342.417  86.656  6.2207  89.112  3.5477  -2.456360      7.161282  
1 1 1 2   28  25 o 40.830  2.0357  904.412    90.025   677.968    455.198  913.630    91.839   34.557  10.890  40.983  2.0757  -6.426525      11.08623  
1 1 1 2   28  26 o 29.719  6.5485  507.733    205.103  447.160    436.210  524.926    232.395  29.693  10.660  30.127  7.2169  -0.4337997     12.87340  
1 1 1 2   28  27 o 66.622  2.6872  2415.60    193.903  2338.63    254.408  2522.28    299.524  65.325  3.6097  67.735  4.1020  -2.409882      5.464108  
1 1 1 2   28  28 o 51.467  1.6920  1437.93    94.319   1669.06    140.241  1247.04    127.450  55.390  2.3376  47.802  2.4701  7.587421       3.400830  
1 1 1 2   28  29 o 76.018  2.8430  3156.11    234.082  3434.70    315.582  2815.35    349.022  79.076  3.6847  71.195  4.5500  7.881020       5.854832  
1 1 1 2   28  30 o 83.275  3.6702  3821.06    331.037  3785.58    633.477  3834.39    388.270  80.580  7.3387  83.036  4.3321  -2.456474      8.522011  
1 1 1 2   28  31 o 30.417  2.0629  506.652    67.560   631.776    474.986  504.068    68.254   31.580  11.147  30.334  2.0902  1.245796       11.34083  
1 1 1 2   28  32 f 57.663  4.5385  1894.00    281.158  1423.70    546.713  2063.11    327.832  44.485  11.319  59.810  5.1097  -15.32436      12.41898  
1 1 1 2   28  33 o 26.810  10.484  496.711    441.462  0.0000     0.0000   496.711    441.462  ?       ?       26.810  10.484  0.000000       10.48380  
1 1 1 2   28  34 o 22.595  9.6037  272.933    410.399  0.0000     0.0000   272.933    410.399  ?       ?       22.595  9.6037  0.000000       9.603725  
1 1 1 2   28  35 o 22.496  9.6638  312.362    423.583  0.0000     0.0000   312.362    423.583  ?       ?       22.496  9.6638  0.000000       9.663753  
1 1 1 2   28  36 o 18.294  9.1800  -1013.1160 793.039  0.0000     0.0000   -1013.1160 793.039  ?       ?       18.294  9.1800  0.000000       9.179975  
1 1 1 2   29  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   29  1  o 235.153 4.3623  29954.73   1111.06  30746.51   1571.67  29163.76   1570.87  238.208 6.0916  231.992 6.2517  6.215607       8.728786  
1 1 1 2   29  2  o 575.755 13.458  180001.00  8392.67  190106.50  11869.76 169898.00  11868.28 590.990 18.544  558.528 19.619  32.46173       26.99555  
1 1 1 2   29  3  o 500.046 8.2918  135546.09  4490.84  134970.80  6351.12  136121.30  6350.88  498.735 11.757  500.861 11.707  -2.125305      16.59188  
1 1 1 2   29  4  o 538.649 8.8952  157304.20  5189.58  161602.30  7339.47  153006.80  7338.89  545.667 12.418  530.924 12.762  14.74286       17.80709  
1 1 1 2   29  5  o 595.594 11.482  192473.09  7406.64  192944.09  9071.19  191531.00  12828.81 596.039 14.051  592.989 19.974  3.050171       24.42153  
1 1 1 2   29  6  o 259.263 4.6732  36413.55   1312.26  36376.07   1856.42  36450.97   1855.21  259.086 6.6155  259.353 6.6044  -0.2669067     9.347860  
1 1 1 2   29  7  o 402.094 6.8453  87623.16   2981.19  86805.84   4216.49  88440.13   4215.59  400.063 9.7309  403.817 9.6384  -3.754120      13.69630  
1 1 1 2   29  8  f 188.507 3.6661  19248.45   748.510  20420.35   1062.22  18092.61   1054.92  194.141 5.0516  182.736 5.3300  11.40436       7.343505  
1 1 1 2   29  9  o 350.502 12.085  66712.66   4587.99  0.0000     0.0000   66712.66   4587.99  ?       ?       350.502 12.085  0.000000       12.08542  
1 1 1 2   29  10 o 611.745 10.094  203113.59  6688.09  217099.50  13377.87 198453.20  7722.42  630.537 19.589  604.443 11.796  26.09454       22.86612  
1 1 1 2   29  11 o 561.296 10.025  171072.59  6094.46  190821.80  11268.21 162906.80  7245.68  591.175 17.598  547.382 12.221  43.79327       21.42565  
1 1 1 2   29  12 o 569.704 10.229  176358.30  6311.73  188741.59  11668.04 171235.80  7504.49  587.190 18.346  560.939 12.352  26.25073       22.11693  
1 1 1 2   29  13 o 405.325 6.8123  89134.17   2990.68  100086.50  5983.44  85486.77   3452.94  428.494 12.892  396.803 8.0342  31.69009       15.19093  
1 1 1 2   29  14 o 52.129  3.7019  1480.05    207.656  1590.52    352.582  1421.38    256.947  53.795  6.1625  50.988  4.7059  2.807121       7.753806  
1 1 1 2   29  15 o 162.881 4.1505  14381.45   732.214  15547.68   1201.42  13692.29   923.556  169.235 6.5545  158.879 5.3669  10.35548       8.471415  
1 1 1 2   29  16 o 256.010 4.6370  35543.95   1285.77  38748.96   2565.79  34469.22   1485.79  266.804 8.8789  252.043 5.4427  14.76060       10.41428  
1 1 1 2   29  17 o 294.425 8.5255  47197.88   2718.71  45802.15   4792.33  47860.24   3301.38  287.901 15.425  296.121 10.293  -8.219757      18.54377  
1 1 1 2   29  18 o 293.267 7.3763  46785.13   2343.00  47195.23   3312.55  46374.55   3314.46  293.900 10.406  291.309 10.505  2.591034       14.78648  
1 1 1 2   29  19 o 190.601 5.3592  19726.10   1106.35  18731.96   1563.10  20724.09   1566.12  185.464 7.7814  195.128 7.4103  -9.663376      10.74537  
1 1 1 2   29  20 o 122.514 3.2282  8137.84    428.369  8064.82    821.569  8165.11    502.009  121.614 6.2584  122.694 3.7776  -1.080086      7.310175  
1 1 1 2   29  21 o 213.954 4.1154  24845.36   953.688  23488.06   1895.59  25305.34   1103.52  207.292 8.4429  215.850 4.7202  -8.557770      9.672763  
1 1 1 2   29  22 o 120.088 3.1565  7822.93    410.564  7340.87    807.691  7990.89    476.752  115.842 6.4631  121.338 3.6277  -5.495430      7.411611  
1 1 1 2   29  23 o 67.431  3.2669  2468.58    238.597  2735.84    473.972  2377.86    276.137  70.480  6.2746  66.034  3.8779  4.446068       7.376193  
1 1 1 2   29  24 o 111.952 3.0759  6808.44    372.967  7052.59    737.177  6724.44    432.392  113.290 6.0294  111.197 3.5902  2.093132       7.017359  
1 1 1 2   29  25 o 16.417  6.8345  36.512     201.201  -42.4388   417.828  60.345     229.571  21.817  9.4849  17.877  7.3583  3.940523       12.00453  
1 1 1 2   29  26 o 35.791  2.0257  697.492    78.206   1203.96    452.453  681.894    79.401   45.264  9.5302  35.381  2.0811  9.882542       9.754830  
1 1 1 2   29  27 o 55.103  1.7508  1647.85    104.491  1682.33    155.471  1619.45    141.115  55.606  2.5814  54.575  2.3873  1.030743       3.516092  
1 1 1 2   29  28 o 26.640  1.9459  387.601    55.757   378.371    57.261   556.396    244.873  26.310  2.0250  30.754  7.4337  -4.444426      7.704584  
1 1 1 2   29  29 o 58.365  2.5005  1857.18    158.073  1937.36    181.767  1608.37    320.192  59.558  2.8178  53.332  5.6280  6.225784       6.294014  
1 1 1 2   29  30 o 61.311  4.2122  2092.30    278.022  2868.02    543.797  1817.79    323.497  70.082  7.2699  56.664  5.3338  13.41769       9.016677  
1 1 1 2   29  31 o 42.306  5.7048  1035.26    254.742  1107.88    495.456  1009.17    297.007  40.658  10.989  41.179  6.9035  -0.5217400     12.97765  
1 1 1 2   29  32 o 28.737  7.9398  530.775    255.331  127.554    483.427  686.777    300.694  23.086  10.116  32.402  8.4723  -9.316259      13.19484  
1 1 1 2   29  33 o 33.196  2.3543  609.689    84.100   0.0000     0.0000   609.689    84.100   ?       ?       33.196  2.3543  0.000000       2.354292  
1 1 1 2   29  34 o 21.974  9.6738  198.160    446.743  0.0000     0.0000   198.160    446.743  ?       ?       21.974  9.6738  0.000000       9.673820  
1 1 1 2   29  35 o 14.731  7.2428  -525.9866  402.983  0.0000     0.0000   -525.9866  402.983  ?       ?       14.731  7.2428  0.000000       7.242785  
1 1 1 2   30  0  o 751.443 24.881  308513.81  20250.24 308513.81  20250.24 0.0000     0.0000   751.443 24.881  ?       ?       0.000000       24.88077  
1 1 1 2   30  1  o 606.415 20.157  200302.50  13239.34 0.0000     0.0000   200302.50  13239.34 ?       ?       606.415 20.157  0.000000       20.15701  
1 1 1 2   30  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   30  3  o 622.619 14.600  210567.41  9845.55  202184.41  13923.96 218949.80  13923.46 609.104 21.106  634.008 20.276  -24.90393      29.26722  
1 1 1 2   30  4  o 282.904 5.0898  43359.14   1559.58  42455.15   2205.77  44262.81   2205.38  279.885 7.2763  285.786 7.1248  -5.900879      10.18365  
1 1 1 2   30  5  o 175.292 3.5309  16643.47   670.383  16657.04   948.634  16629.92   947.495  175.347 4.9949  175.204 4.9930  0.1428070      7.062537  
1 1 1 2   30  6  o 448.766 7.5316  109159.20  3660.81  113209.70  5177.69  105110.20  5176.66  456.831 10.464  440.157 10.859  16.67352       15.08011  
1 1 1 2   30  7  o 430.413 7.2525  100411.00  3381.00  103066.20  4782.46  97758.06   4780.45  435.889 10.130  424.497 10.397  11.39200       14.51620  
1 1 1 2   30  8  o 353.189 7.0227  67613.27   2686.48  68949.77   4653.78  66945.29   3290.02  356.362 12.057  351.362 8.6452  5.000214       14.83624  
1 1 1 2   30  9  o 672.095 15.690  245802.59  11421.26 248921.80  16153.78 242684.59  16150.42 674.757 22.103  666.170 22.384  8.587769       31.45754  
1 1 1 2   30  10 o 354.346 6.0404  68054.91   2318.28  70703.84   4638.75  67173.05   2676.50  360.742 11.872  351.991 7.0205  8.751862       13.79266  
1 1 1 2   30  11 o 183.242 3.7938  18191.41   752.954  19039.59   1433.80  17868.43   884.775  187.372 7.0650  181.593 4.4984  5.778824       8.375575  
1 1 1 2   30  12 o 676.008 13.571  249023.41  9936.18  284002.59  26051.24 243068.59  10748.72 710.532 33.851  667.462 14.868  43.06964       36.97257  
1 1 1 2   30  13 o 349.825 6.5345  66391.56   2475.90  72733.72   6862.33  65442.43   2654.70  364.191 17.397  347.264 7.0581  16.92706       18.77415  
1 1 1 2   30  14 o 190.350 4.3730  19640.92   901.576  21278.83   1557.19  18815.00   1105.76  197.961 7.2626  186.253 5.4813  11.70728       9.098912  
1 1 1 2   30  15 o 431.397 9.3958  101297.50  4390.15  107302.30  6845.58  97102.48   5721.72  442.534 14.282  421.540 12.532  20.99420       19.00074  
1 1 1 2   30  16 o 28.728  7.0867  466.247    219.136  654.054    311.990  283.377    307.862  34.008  8.4950  24.912  8.9544  9.095741       12.34284  
1 1 1 2   30  17 o 117.754 4.2719  7519.38    544.835  7461.46    770.089  7577.42    770.937  117.059 6.0950  117.972 6.0539  -0.9132385     8.590589  
1 1 1 2   30  18 o 51.631  2.3943  1444.32    133.890  1484.20    142.664  1149.72    387.758  52.337  2.5167  45.259  8.2126  7.078049       8.589560  
1 1 1 2   30  19 o 274.227 4.9020  40817.21   1455.99  37019.16   2899.41  42097.93   1683.67  260.157 10.290  278.402 5.5836  -18.24533      11.70705  
1 1 1 2   30  20 o 180.607 3.8498  17694.14   753.079  16682.07   1408.73  18099.09   891.093  174.972 7.4334  182.607 4.5054  -7.634277      8.692208  
1 1 1 2   30  21 o 138.405 3.3059  10389.34   495.585  10180.85   962.193  10464.62   578.174  136.719 6.4977  138.869 3.8440  -2.149933      7.549625  
1 1 1 2   30  22 o 88.017  2.8499  4201.38    271.682  3627.66    425.807  4595.30    352.833  81.535  4.8435  92.015  3.5403  -10.48016      5.999410  
1 1 1 2   30  23 o 122.903 3.1431  8200.11    418.399  7768.16    824.141  8350.09    485.638  118.997 6.4181  123.973 3.6167  -4.975822      7.366967  
1 1 1 2   30  24 o 43.336  1.8243  1018.21    85.628   1135.74    126.428  918.607    116.388  45.672  2.5662  41.053  2.6314  4.618740       3.675524  
1 1 1 2   30  25 o 167.189 3.5878  15226.73   649.693  17650.85   1298.01  14416.40   750.468  178.706 6.7060  162.483 4.2644  16.22281       7.947062  
1 1 1 2   30  26 o 42.417  4.8255  999.376    217.747  948.897    453.905  1014.47    248.166  39.921  10.395  42.581  5.5101  -2.659973      11.76529  
1 1 1 2   30  27 o 39.718  1.6001  855.864    68.833   886.562    71.899   518.863    238.225  40.422  1.6422  29.804  7.4111  10.61772       7.590836  
1 1 1 2   30  28 o 83.653  2.8321  3816.34    256.606  4033.44    384.919  3642.67    344.267  85.658  4.1489  81.473  3.9013  4.184967       5.695016  
1 1 1 2   30  29 f 36.195  2.5994  718.310    101.225  634.329    108.137  1312.95    287.748  33.935  2.9720  48.123  5.6269  -14.18716      6.363607  
1 1 1 2   30  30 o 51.931  2.9600  1482.10    165.803  1186.27    191.789  2357.29    329.880  46.194  3.8689  64.863  4.7281  -18.66970      6.109286  
1 1 1 2   30  31 o 24.326  1.5975  323.205    41.856   -123.6643  455.427  327.012    42.034   20.619  9.3657  24.470  1.5947  -3.851007      9.500475  
1 1 1 2   30  32 o 41.392  2.5436  945.824    113.482  1544.83    504.280  913.872    116.469  47.318  10.144  40.648  2.6601  6.669655       10.48718  
1 1 1 2   30  33 o 29.647  10.316  655.734    405.956  0.0000     0.0000   655.734    405.956  ?       ?       29.647  10.316  0.000000       10.31574  
1 1 1 2   30  34 o 31.771  11.053  852.615    466.026  0.0000     0.0000   852.615    466.026  ?       ?       31.771  11.053  0.000000       11.05275  
1 1 1 2   30  35 o 16.592  2.4582  155.999    42.840   0.0000     0.0000   155.999    42.840   ?       ?       16.592  2.4582  0.000000       2.458190  
1 1 1 2   31  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   31  1  o 627.410 20.839  214477.70  14161.19 214477.70  14161.19 0.0000     0.0000   627.410 20.839  ?       ?       0.000000       20.83905  
1 1 1 2   31  2  o 714.751 23.676  278842.19  18328.41 0.0000     0.0000   278842.19  18328.41 ?       ?       714.751 23.676  0.000000       23.67555  
1 1 1 2   31  3  o 556.432 10.705  167947.20  6451.49  168312.91  7901.29  167215.59  11174.74 556.812 13.101  554.306 18.613  2.505615       22.76165  
1 1 1 2   31  4  o 303.500 5.2678  49903.74   1731.63  48982.18   2448.99  50825.16   2448.81  300.621 7.5214  306.229 7.3831  -5.607880      10.53949  
1 1 1 2   31  5  o 481.376 8.0704  125613.60  4207.73  124301.30  5950.84  126925.70  5950.43  478.615 11.479  483.651 11.359  -5.036285      16.14957  
1 1 1 2   31  6  o 243.560 4.4221  32135.47   1166.55  32401.17   1650.50  31870.24   1649.00  244.527 6.2319  242.514 6.2779  2.012802       8.845772  
1 1 1 2   31  7  f 294.943 5.1742  47131.42   1652.92  48773.70   2338.95  45492.98   2336.22  299.974 7.1989  289.701 7.4455  10.27313       10.35663  
1 1 1 2   31  8  o 449.360 8.6728  109502.60  4221.09  108431.90  7311.26  110037.90  5169.72  446.535 15.117  450.305 10.600  -3.770050      18.46285  
1 1 1 2   31  9  f 798.373 14.966  346776.31  12941.03 360441.19  15850.28 319454.81  22412.21 813.120 17.997  762.284 27.146  50.83612       32.56974  
1 1 1 2   31  10 o 276.038 4.9053  41289.10   1466.59  39402.09   2935.49  41916.79   1693.03  269.401 10.060  278.103 5.6207  -8.701843      11.52396  
1 1 1 2   31  11 o 767.199 15.100  320907.00  12547.52 320509.59  32979.59 320974.31  13567.88 750.138 40.744  766.841 16.336  -16.70313      43.89699  
1 1 1 2   31  12 o 334.043 6.2434  60513.35   2258.89  67753.54   4202.20  57571.01   2678.85  352.946 10.993  325.712 7.5935  27.23398       13.36029  
1 1 1 2   31  13 o 166.755 3.3694  15066.56   608.565  17599.65   1223.23  14233.37   701.547  180.119 6.2702  162.062 3.9967  18.05635       7.435644  
1 1 1 2   31  14 o 431.179 9.5931  101163.70  4480.10  107816.40  6982.98  96509.68   5840.60  443.768 14.528  420.357 12.828  23.41122       19.38134  
1 1 1 2   31  15 o 138.658 3.7890  10420.69   569.033  11719.29   952.985  9701.14    709.375  146.950 5.9875  133.747 4.8969  13.20343       7.734982  
1 1 1 2   31  16 o 276.904 7.0213  41663.57   2105.81  42563.20   2977.68  40763.47   2978.46  279.427 9.8387  273.415 10.058  6.011749       14.06976  
1 1 1 2   31  17 o 156.647 4.7717  13311.88   809.597  13600.77   1145.01  13023.07   1144.87  158.206 6.6822  154.798 6.8285  3.408051       9.554030  
1 1 1 2   31  18 o 83.239  3.1491  3755.45    283.911  3911.44    536.179  3694.67    334.681  84.659  5.8840  82.549  3.7433  2.110641       6.973761  
1 1 1 2   31  19 o 333.269 6.7809  60416.12   2447.66  58426.63   6171.29  60787.50   2666.35  323.171 17.698  334.158 7.3671  -10.98761      19.17024  
1 1 1 2   31  20 o 211.895 4.4346  24369.71   1017.76  21028.53   2360.16  25132.95   1128.03  195.360 11.201  215.142 4.8409  -19.78171      12.20221  
1 1 1 2   31  21 o 116.126 3.1008  7312.79    390.007  6480.38    730.163  7645.08    461.329  108.921 6.2150  118.708 3.5881  -9.786423      7.176378  
1 1 1 2   31  22 o 113.795 3.2022  7025.99    394.676  7655.08    751.680  6786.55    463.744  118.518 5.8557  111.794 3.8299  6.724220       6.996978  
1 1 1 2   31  23 o 127.184 3.2071  8783.24    441.786  7899.51    860.497  9099.56    514.815  119.915 6.6514  129.400 3.6732  -9.485176      7.598225  
1 1 1 2   31  24 f 5.5089  2.2282  6.7520     20.609   0.0000     0.0000   6.7520     20.609   ?       ?       5.5089  2.2282  0.000000       2.228206  
1 1 1 2   31  25 o 75.936  3.4438  3140.18    283.241  2618.06    567.770  3313.17    326.811  68.142  7.8355  77.942  3.8713  -9.800278      8.739674  
1 1 1 2   31  26 o 23.989  1.5162  313.303    39.192   -85.2438   410.913  316.962    39.372   20.977  9.2543  24.129  1.5142  -3.151731      9.377368  
1 1 1 2   31  27 o 80.220  3.4696  3515.50    301.466  4407.85    590.214  3200.52    350.658  88.800  6.1750  76.260  4.2624  12.54010       7.503260  
1 1 1 2   31  28 o 70.959  2.7243  2744.93    209.381  2937.51    273.904  2474.18    324.771  73.260  3.4519  66.842  4.5124  6.418053       5.681322  
1 1 1 2   31  29 o 75.170  2.5019  3081.34    203.702  3391.38    317.666  2864.83    265.466  78.530  3.7348  72.273  3.3913  6.256607       5.044737  
1 1 1 2   31  30 o 77.069  2.9601  3254.47    247.089  3165.75    335.098  3360.18    365.790  75.499  4.1134  77.668  4.3660  -2.169090      5.998488  
1 1 1 2   31  31 o 28.349  7.6560  495.317    240.602  231.672    457.733  595.970    282.825  24.796  10.315  30.852  8.2876  -6.055408      13.23155  
1 1 1 2   31  32 o 32.244  7.2918  657.674    248.689  479.638    472.762  725.786    292.415  27.370  10.804  33.341  8.1630  -5.971350      13.54112  
1 1 1 2   31  33 o 21.814  9.5580  154.808    431.584  0.0000     0.0000   154.808    431.584  ?       ?       21.814  9.5580  0.000000       9.557957  
1 1 1 2   31  34 o 20.239  9.1163  83.032     420.925  0.0000     0.0000   83.032     420.925  ?       ?       20.239  9.1163  0.000000       9.116323  
1 1 1 2   31  35 o 27.387  10.823  671.325    474.971  0.0000     0.0000   671.325    474.971  ?       ?       27.387  10.823  0.000000       10.82342  
1 1 1 2   32  0  o 344.268 5.9275  64216.74   2210.25  65151.20   3126.21  63282.82   3125.31  346.681 8.3257  341.669 8.4453  5.011993       11.85919  
1 1 1 2   32  1  o 287.713 5.0866  44845.36   1585.10  46313.44   2242.01  43378.19   2241.32  292.334 7.0809  282.912 7.3145  9.422089       10.18039  
1 1 1 2   32  2  o 362.242 6.2220  71101.05   2441.18  70770.30   3452.52  71431.74   3452.18  361.298 8.8227  362.984 8.7808  -1.686340      12.44759  
1 1 1 2   32  3  o 487.539 9.4739  128891.00  5002.72  127661.60  6126.84  131350.20  8665.60  485.046 11.662  491.545 16.277  -6.499603      20.02343  
1 1 1 2   32  4  o 132.318 2.9523  9482.79    423.109  9578.67    598.907  9387.24    597.826  132.977 4.1583  131.641 4.1929  1.335754       5.905207  
1 1 1 2   32  5  o 438.152 7.3667  104052.60  3495.97  104514.70  4944.40  103590.60  4943.69  438.941 10.400  436.993 10.445  1.947876       14.73971  
1 1 1 2   32  6  o 368.544 6.2783  73603.25   2506.13  76226.12   3544.88  70982.39   3543.52  374.942 8.7291  361.799 9.0427  13.14252       12.56846  
1 1 1 2   32  7  o 304.777 6.1752  50337.46   2038.45  53235.55   3531.19  48889.02   2496.41  313.237 10.408  300.306 7.6751  12.93100       12.93206  
1 1 1 2   32  8  o 198.019 5.2745  21246.27   1131.24  23032.97   1604.28  19479.33   1595.39  206.130 7.1857  189.547 7.7710  16.58298       10.58410  
1 1 1 2   32  9  o 457.164 8.8723  113378.90  4393.15  113439.80  5381.56  113257.20  7606.11  457.089 10.870  456.129 15.396  0.9601440      18.84660  
1 1 1 2   32  10 o 195.010 3.7760  20602.45   797.546  20868.91   1599.47  20514.28   920.088  196.158 7.5284  194.580 4.3658  1.577438       8.702669  
1 1 1 2   32  11 o 284.788 5.3761  43962.04   1658.30  46210.71   3095.40  43056.87   1963.90  291.675 9.7982  281.786 6.4347  9.888672       11.72224  
1 1 1 2   32  12 o 424.691 7.7626  97899.17   3570.70  108459.90  6617.62  93561.73   4241.04  445.936 13.701  414.950 9.4364  30.98557       16.63638  
1 1 1 2   32  13 o 315.651 5.9549  54045.77   2035.87  55484.26   5572.31  53824.18   2187.06  317.761 16.245  314.962 6.4111  2.798676       17.46427  
1 1 1 2   32  14 o 338.882 7.4842  62378.45   2747.05  69380.37   4301.01  57554.08   3570.11  356.753 11.131  325.110 10.139  31.64282       15.05628  
1 1 1 2   32  15 o 362.078 13.297  71768.21   5214.57  71274.04   7374.51  72262.38   7374.51  358.329 19.070  360.875 18.933  -2.545563      26.87240  
1 1 1 2   32  16 o 76.217  3.9029  3157.46    321.105  2977.06    431.736  3380.80    480.370  73.869  5.4343  78.720  5.6720  -4.851501      7.855179  
1 1 1 2   32  17 o 310.921 5.4479  52473.47   1834.64  52974.21   3665.81  52306.14   2119.13  311.337 10.871  310.304 6.3052  1.033142       12.56716  
1 1 1 2   32  18 o 279.532 4.9684  42405.93   1504.24  41566.38   3000.09  42687.88   1738.58  275.851 10.041  280.363 5.7254  -4.511902      11.55886  
1 1 1 2   32  19 o 109.768 2.9754  6530.86    353.743  6130.86    706.660  6664.62    408.627  106.020 6.1807  110.871 3.4028  -4.850647      7.055521  
1 1 1 2   32  20 o 101.251 3.1787  5558.31    348.589  5367.69    659.627  5632.17    410.609  99.150  6.1730  101.899 3.7204  -2.749283      7.207438  
1 1 1 2   32  21 o 78.292  3.3217  3324.80    281.672  2796.98    518.795  3545.43    335.415  71.310  6.7994  80.826  3.8314  -9.516434      7.804582  
1 1 1 2   32  22 o 173.569 3.8143  16360.75   717.065  16064.04   1342.53  16479.18   848.185  171.365 7.2332  174.100 4.4980  -2.735840      8.517716  
1 1 1 2   32  23 o 120.639 3.1598  7902.83    412.868  7186.41    802.739  8160.51    481.426  114.366 6.5074  122.538 3.6273  -8.172157      7.450107  
1 1 1 2   32  24 o 34.686  5.4935  674.480    199.505  1252.18    425.651  511.840    225.849  46.727  8.7315  29.879  7.0861  16.84718       11.24507  
1 1 1 2   32  25 o 52.715  4.3401  1528.68    245.601  1313.48    475.211  1607.12    286.886  47.436  9.5792  53.933  4.9670  -6.496880      10.79033  
1 1 1 2   32  26 o 78.215  3.4990  3337.31    296.419  2841.69    571.899  3519.37    346.610  70.873  7.5671  80.233  3.9886  -9.359612      8.553965  
1 1 1 2   32  27 o 61.459  3.8917  2076.40    257.723  2457.45    511.525  1946.77    298.359  65.724  7.3095  59.303  4.6832  6.421513       8.681102  
1 1 1 2   32  28 o 106.600 2.9251  6202.16    337.733  5893.59    619.636  6332.58    402.829  102.721 5.5904  107.548 3.4582  -4.827461      6.573575  
1 1 1 2   32  29 o 25.371  2.4176  354.021    65.631   328.123    67.324   849.662    294.526  24.389  2.5882  37.884  7.4434  -13.49534      7.880503  
1 1 1 2   32  30 o 137.981 3.5039  10481.97   523.658  9378.72    1054.17  10843.39   603.366  126.394 7.7377  140.009 3.9788  -13.61543      8.700739  
1 1 1 2   32  31 o 29.351  1.6832  470.405    53.287   0.0000     0.0000   470.405    53.287   ?       ?       29.351  1.6832  0.000000       1.683226  
1 1 1 2   32  32 o ?       ?       -138.6156  36.800   -14.9020   443.374  -139.4737  36.927   20.572  9.3028  ?       ?       0.000000       9.302832  
1 1 1 2   32  33 o 18.266  2.0943  185.448    40.683   0.0000     0.0000   185.448    40.683   ?       ?       18.266  2.0943  0.000000       2.094251  
1 1 1 2   32  34 o 39.411  10.448  1226.93    453.197  0.0000     0.0000   1226.93    453.197  ?       ?       39.411  10.448  0.000000       10.44768  
1 1 1 2   32  35 o 20.377  9.3344  98.548     464.898  0.0000     0.0000   98.548     464.898  ?       ?       20.377  9.3344  0.000000       9.334420  
1 1 1 2   33  0  o 682.649 15.906  253279.70  11760.63 261923.50  16632.72 244637.30  16631.36 693.029 22.159  669.604 22.932  23.42474       31.88843  
1 1 1 2   33  1  o 159.809 3.2355  13832.77   560.034  14341.89   792.649  13325.30   791.367  162.712 4.4977  156.838 4.6586  5.874359       6.475494  
1 1 1 2   33  2  o 223.238 4.1979  26995.19   1015.01  27283.43   1435.46  26706.97   1435.41  224.398 5.9061  222.014 5.9693  2.384460       8.397316  
1 1 1 2   33  3  o 612.130 11.663  203330.00  7732.24  202976.41  9469.87  204037.30  13393.04 611.287 14.303  611.962 20.206  -0.6749878     24.75616  
1 1 1 2   33  4  o 619.210 11.881  208089.70  7968.05  205923.20  9758.71  212423.00  13801.41 615.636 14.635  624.317 20.410  -8.680786      25.11506  
1 1 1 2   33  5  o 417.387 7.0887  94419.80   3204.59  93286.63   4532.27  95552.66   4531.68  414.706 10.090  419.720 9.9685  -5.014679      14.18399  
1 1 1 2   33  6  o 602.042 9.8835  196609.59  6444.76  202633.70  9114.99  190587.41  9113.55  610.725 13.780  592.234 14.208  18.49078       19.79241  
1 1 1 2   33  7  o 855.486 28.394  402100.59  26308.90 402100.59  26308.90 0.0000     0.0000   855.486 28.394  ?       ?       0.000000       28.39354  
1 1 1 2   33  8  o 201.898 4.4073  22083.86   963.770  22744.59   1183.28  20781.69   1661.16  204.878 5.3324  195.773 7.8341  9.104675       9.476655  
1 1 1 2   33  9  f 309.265 5.3111  51830.96   1779.05  53170.15   2517.37  50494.80   2514.53  313.136 7.4224  305.146 7.6081  7.989685       10.62901  
1 1 1 2   33  10 o 200.071 4.8036  21691.37   1040.93  22835.33   1673.79  20969.88   1329.25  205.182 7.5317  196.672 6.2402  8.510498       9.780877  
1 1 1 2   33  11 o 205.386 3.8713  22855.94   861.191  24506.51   1725.44  22308.34   993.833  212.528 7.4957  202.893 4.5225  9.635437       8.754338  
1 1 1 2   33  12 o 285.586 5.0699  44214.27   1568.22  44339.25   3136.22  44172.60   1810.86  285.548 10.140  285.402 5.8581  0.1455383      11.71096  
1 1 1 2   33  13 o 166.619 3.4236  15043.06   617.838  15653.91   1236.26  14839.70   713.304  169.832 6.7208  165.473 3.9800  4.359100       7.810841  
1 1 1 2   33  14 o 253.299 7.5393  34854.83   2068.41  34856.11   2533.41  34852.27   3582.21  253.105 9.2413  252.152 13.162  0.9532166      16.08243  
1 1 1 2   33  15 o 215.740 6.4433  25272.45   1505.60  26195.56   1872.48  23584.04   2532.39  219.503 7.8760  207.542 11.308  11.96097       13.78075  
1 1 1 2   33  16 o 224.155 6.5531  27294.22   1590.98  28909.82   1973.31  24293.32   2689.39  230.534 7.9030  210.421 11.849  20.11327       14.24242  
1 1 1 2   33  17 o 265.405 4.7962  38216.12   1378.73  37981.40   2755.92  38294.48   1592.31  263.863 9.6431  265.597 5.5352  -1.734558      11.11884  
1 1 1 2   33  18 o 107.423 2.8707  6253.87    334.002  5815.56    636.050  6420.74    392.468  103.324 5.7056  108.833 3.3294  -5.508995      6.606022  
1 1 1 2   33  19 o 99.785  3.1154  5397.60    336.709  5237.58    646.924  5457.05    394.330  97.967  6.1276  100.315 3.6293  -2.348785      7.121778  
1 1 1 2   33  20 o 118.306 3.2131  7589.05    411.720  7238.98    792.331  7718.54    481.888  115.163 6.3770  119.285 3.7298  -4.122284      7.387714  
1 1 1 2   33  21 o 54.928  3.9658  1646.27    234.348  989.856    423.700  1935.59    281.292  41.650  9.5906  59.536  4.3932  -17.88670      10.54892  
1 1 1 2   33  22 o 50.807  4.1163  1411.86    224.566  898.496    402.921  1643.19    270.470  39.593  9.5141  54.775  4.6016  -15.18188      10.56853  
1 1 1 2   33  23 o 72.531  2.7132  2854.88    213.146  2491.46    484.461  2942.11    237.353  67.070  6.7613  73.615  2.9769  -6.545456      7.387581  
1 1 1 2   33  24 o 106.145 3.2337  6126.53    371.768  5514.24    731.364  6339.87    431.702  99.786  6.8076  107.910 3.6936  -8.123863      7.745054  
1 1 1 2   33  25 o 116.137 3.3170  7344.62    417.246  6734.61    813.390  7562.46    486.070  110.030 6.8594  117.744 3.8114  -7.714249      7.847192  
1 1 1 2   33  26 o 50.925  4.3414  1430.66    237.170  1508.48    472.100  1404.39    274.295  50.918  8.8836  50.275  5.1082  0.6422386      10.24751  
1 1 1 2   33  27 o 83.380  2.8467  3788.06    257.087  4037.35    602.696  3732.61    284.245  84.720  6.6207  82.707  3.1731  2.013206       7.341841  
1 1 1 2   33  28 o 79.228  2.9471  3427.07    252.898  3132.75    355.696  3727.95    359.641  75.262  4.3824  82.344  4.0325  -7.081314      5.955355  
1 1 1 2   33  29 o 19.722  1.4065  212.179    29.846   214.163    29.990   6.7357     305.212  19.814  1.4066  18.860  8.1527  0.9540482      8.273191  
1 1 1 2   33  30 o 33.998  2.0168  631.619    73.932   625.295    76.232   731.711    303.266  33.815  2.0917  34.572  8.2194  -0.7572250     8.481373  
1 1 1 2   33  31 o 32.566  1.1969  575.855    42.216   597.842    60.435   554.904    58.995   33.096  1.6916  31.879  1.7149  1.217325       2.408843  
1 1 1 2   33  32 o ?       ?       -268.2837  26.662   0.0000     0.0000   -268.2837  26.662   ?       ?       ?       ?       0.000000       ?         
1 1 1 2   33  33 o 29.164  10.472  644.846    420.961  0.0000     0.0000   644.846    420.961  ?       ?       29.164  10.472  0.000000       10.47204  
1 1 1 2   33  34 o 38.214  11.055  1217.57    483.597  0.0000     0.0000   1217.57    483.597  ?       ?       38.214  11.055  0.000000       11.05477  
1 1 1 2   33  35 o 17.685  8.3719  -151.6675  426.225  0.0000     0.0000   -151.6675  426.225  ?       ?       17.685  8.3719  0.000000       8.371917  
1 1 1 2   34  0  o 298.381 5.2760  48234.62   1705.08  47936.04   2411.52  48533.12   2411.16  297.395 7.4867  299.243 7.4393  -1.847992      10.55430  
1 1 1 2   34  1  o 647.072 15.136  227511.80  10608.03 227651.20  15003.98 227372.41  15000.06 646.182 21.438  645.784 21.445  0.3973389      30.32309  
1 1 1 2   34  2  o 291.094 5.1878  45907.28   1635.64  45683.64   2312.98  46130.97   2313.30  290.326 7.3556  291.745 7.3208  -1.419067      10.37779  
1 1 1 2   34  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   34  4  o 429.694 7.2879  100073.70  3391.83  101330.00  4797.10  98817.70   4796.44  432.208 10.247  426.808 10.376  5.400330       14.58302  
1 1 1 2   34  5  o 482.370 8.0385  126141.90  4199.74  127442.60  5939.71  124841.50  5938.96  484.599 11.317  479.617 11.433  4.981262       16.08626  
1 1 1 2   34  6  o 427.069 7.2225  98862.02   3340.86  100822.00  4725.60  96903.51   4723.79  431.093 10.121  422.618 10.320  8.475311       14.45440  
1 1 1 2   34  7  o 344.928 6.8669  64488.88   2565.42  65491.12   4442.53  63987.44   3142.31  347.296 11.810  343.507 8.4459  3.789612       14.51948  
1 1 1 2   34  8  o 310.158 6.2616  52139.86   2103.48  52805.90   2577.28  50811.04   3640.34  312.069 7.6250  305.913 10.987  6.155975       13.37355  
1 1 1 2   34  9  o 277.334 4.9287  41678.66   1480.50  43438.46   2095.43  39924.48   2092.07  283.048 6.8350  271.345 7.1184  11.70367       9.868628  
1 1 1 2   34  10 o 57.089  3.2812  1771.41    202.034  1484.42    381.421  1883.33    238.193  51.855  6.9675  58.840  3.7572  -6.984985      7.915958  
1 1 1 2   34  11 o 494.517 8.0725  132739.59  4323.75  146823.91  8649.73  128048.00  4992.20  518.521 15.402  485.485 9.4939  33.03577       18.09265  
1 1 1 2   34  12 o 422.516 7.1382  96887.13   3266.66  97433.19   6533.60  96705.13   3771.95  422.338 14.283  421.966 8.2531  0.3717957      16.49609  
1 1 1 2   34  13 o 352.866 12.932  67995.43   4942.37  68435.53   6989.56  67555.33   6989.57  352.059 18.394  349.738 18.518  2.321838       26.10061  
1 1 1 2   34  14 o 153.545 4.6750  12783.39   777.479  11894.19   1098.49  13675.93   1100.56  148.003 6.8526  158.729 6.4016  -10.72545      9.377522  
1 1 1 2   34  15 o 163.338 4.8548  14470.33   858.868  15407.36   1214.05  13531.52   1215.20  168.430 6.6550  157.812 7.1095  10.61780       9.738239  
1 1 1 2   34  16 o 274.646 5.2818  40932.24   1571.19  45095.58   2934.67  39259.34   1860.26  287.643 9.4197  268.850 6.3884  18.79333       11.38164  
1 1 1 2   34  17 o 103.548 2.9197  5810.59    327.451  5627.03    643.792  5874.65    380.321  101.625 5.8740  104.105 3.3729  -2.480316      6.773484  
1 1 1 2   34  18 o 106.276 3.0176  6121.59    347.346  5971.34    675.264  6175.64    405.041  104.669 5.9812  106.729 3.5039  -2.059715      6.931972  
1 1 1 2   34  19 f 157.081 3.4305  13379.13   583.647  13025.44   1155.52  13500.26   676.250  154.700 6.8963  157.758 3.9577  -3.058746      7.951285  
1 1 1 2   34  20 o 184.126 3.7492  18392.22   747.701  18548.24   1479.50  18338.70   866.496  184.438 7.4062  183.803 4.3526  0.6352844      8.590495  
1 1 1 2   34  21 o 176.830 3.6646  16969.80   701.856  16723.24   1382.21  17055.46   814.703  174.991 7.2927  177.211 4.2446  -2.220581      8.438000  
1 1 1 2   34  22 o 164.792 3.4844  14745.21   621.926  13372.88   1212.03  15235.69   724.593  156.278 7.1605  167.441 3.9954  -11.16315      8.199767  
1 1 1 2   34  23 o 113.261 3.0806  6966.76    377.905  6189.34    694.619  7293.61    450.393  106.157 6.0664  115.829 3.5901  -9.672104      7.049136  
1 1 1 2   34  24 o 64.987  3.8567  2308.95    270.249  1550.12    510.550  2604.33    318.534  51.841  9.4406  68.959  4.2860  -17.11836      10.36796  
1 1 1 2   34  25 o 67.873  3.4529  2516.40    253.001  2399.53    524.713  2551.80    288.789  65.217  7.5691  68.266  3.9223  -3.048683      8.524975  
1 1 1 2   34  26 o 93.089  3.3418  4726.20    336.937  4637.96    651.980  4758.36    393.567  91.046  6.6577  93.287  3.8952  -2.241600      7.713461  
1 1 1 2   34  27 o 80.314  3.4979  3526.19    304.275  3215.87    587.774  3639.79    355.637  75.214  7.3073  81.472  4.0302  -6.258286      8.345039  
1 1 1 2   34  28 o 34.008  1.4977  627.679    55.165   640.708    56.538   369.066    251.891  34.358  1.5193  25.400  8.1114  8.957611       8.252410  
1 1 1 2   34  29 o 14.488  1.7282  115.674    26.584   252.297    36.176   -44.7068   39.195   21.497  1.5645  5.4094  2.5541  16.08714       2.995157  
1 1 1 2   34  30 o 73.351  3.8234  2981.00    302.701  2982.75    574.815  2980.32    356.073  71.099  7.5813  73.015  4.5248  -1.915550      8.828943  
1 1 1 2   34  31 o 45.494  2.3136  1135.28    113.627  1125.96    122.487  1192.78    304.300  45.256  2.5087  44.815  6.4554  0.4409714      6.925706  
1 1 1 2   34  32 o 29.908  8.5817  604.209    292.502  0.0000     0.0000   604.209    292.502  ?       ?       29.908  8.5817  0.000000       8.581716  
1 1 1 2   34  33 o 23.554  9.9660  299.389    438.644  0.0000     0.0000   299.389    438.644  ?       ?       23.554  9.9660  0.000000       9.966032  
1 1 1 2   34  34 o 54.520  8.2671  2043.99    472.871  0.0000     0.0000   2043.99    472.871  ?       ?       54.520  8.2671  0.000000       8.267090  
1 1 1 2   34  35 o 22.333  9.6551  304.870    428.170  0.0000     0.0000   304.870    428.170  ?       ?       22.333  9.6551  0.000000       9.655149  
1 1 1 2   35  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 2   35  1  o 438.866 8.5417  104419.10  4060.19  107410.00  7032.49  102923.70  4972.69  444.638 14.603  435.587 10.540  9.050690       18.00925  
1 1 1 2   35  2  o 189.868 3.7581  19527.17   772.841  20069.11   1093.18  18985.66   1092.75  192.465 5.2441  187.196 5.3896  5.269485       7.519808  
1 1 1 2   35  3  f 552.891 9.1808  165763.91  5497.81  171244.91  7775.48  160284.09  7774.67  561.612 12.783  543.294 13.212  18.31787       18.38367  
1 1 1 2   35  4  o 328.090 5.6598  58324.53   2011.24  58617.43   2844.89  58031.86   2843.75  328.828 7.9878  327.180 8.0248  1.648102       11.32263  
1 1 1 2   35  5  o 504.791 8.3330  138158.20  4555.99  139360.09  6443.83  136956.80  6442.45  506.688 11.742  502.290 11.842  4.397980       16.67642  
1 1 1 2   35  6  o 163.335 3.8235  14451.58   676.417  14110.01   1166.28  14624.72   830.335  161.350 6.6737  164.300 4.6660  -2.950424      8.143061  
1 1 1 2   35  7  o 684.601 22.762  256445.50  16877.72 256445.50  16877.72 0.0000     0.0000   684.601 22.762  ?       ?       0.000000       22.76177  
1 1 1 2   35  8  o 107.971 3.2078  6314.81    375.128  6711.77    463.526  5561.32    638.620  111.308 3.8449  101.128 5.8555  10.17940       7.004965  
1 1 1 2   35  9  o 554.027 9.1968  166606.59  5518.71  164430.70  7805.24  168781.80  7804.03  549.752 13.108  557.012 12.936  -7.259949      18.41624  
1 1 1 2   35  10 o 307.297 5.2696  51184.21   1753.89  51120.36   2481.91  51247.89   2478.84  306.970 7.4648  307.354 7.4463  -0.3840332     10.54376  
1 1 1 2   35  11 o 380.492 6.5030  78527.63   2679.95  78409.39   5360.46  78567.04   3094.43  379.295 13.048  380.487 7.5088  -1.192230      15.05461  
1 1 1 2   35  12 o 567.451 13.415  175788.80  8245.28  177733.30  11660.47 173844.30  11660.69 568.323 18.943  561.969 19.158  6.353516       26.94169  
1 1 1 2   35  13 o 470.685 13.036  121030.50  6645.62  124406.00  7936.47  113110.70  12156.69 476.392 15.381  449.142 25.090  27.24921       29.42944  
1 1 1 2   35  14 o 221.273 5.8861  26569.04   1410.67  26326.33   1993.71  26812.38   1996.27  220.032 8.3658  222.061 8.3000  -2.028961      11.78456  
1 1 1 2   35  15 o 482.413 8.0768  126577.60  4220.18  141712.70  8441.53  121534.40  4872.81  507.584 15.355  472.307 9.5255  35.27740       18.06939  
1 1 1 2   35  16 o 343.973 5.9461  64242.64   2215.25  68470.67   4430.10  62832.95   2558.03  353.831 11.560  340.016 6.9460  13.81427       13.48609  
1 1 1 2   35  17 o 145.824 3.4189  11526.91   539.988  11332.54   1035.07  11599.60   632.946  144.400 6.6181  146.258 3.9956  -1.857330      7.730673  
1 1 1 2   35  18 o 231.920 4.3185  29178.32   1084.78  28412.75   2164.03  29435.26   1253.67  228.251 8.7535  232.874 4.9704  -4.623505      10.06620  
1 1 1 2   35  19 o 125.648 3.1098  8558.70    423.208  7727.89    802.948  8878.27    497.995  119.044 6.2493  127.950 3.5935  -8.906349      7.208779  
1 1 1 2   35  20 o 175.161 3.6269  16644.06   688.083  15909.83   1370.99  16891.28   795.534  170.791 7.4114  176.409 4.1636  -5.618591      8.500836  
1 1 1 2   35  21 o 190.706 3.8484  19744.31   794.911  19883.52   1576.27  19696.83   920.536  190.690 7.6319  190.396 4.4639  0.2937622      8.841524  
1 1 1 2   35  22 o 41.171  4.7409  934.718    207.550  989.214    376.322  910.894    248.814  41.644  8.6269  40.446  5.8497  1.198586       10.42318  
1 1 1 2   35  23 o 23.554  6.8311  311.165    184.448  -92.8394   325.013  503.095    224.016  18.592  8.2148  29.663  7.0722  -11.07118      10.83969  
1 1 1 2   35  24 o 101.476 3.0892  5599.05    339.535  5261.66    703.355  5701.56    387.700  97.429  6.7061  102.343 3.4976  -4.913254      7.563366  
1 1 1 2   35  25 o 145.705 3.4137  11567.16   538.722  9861.25    1148.67  12048.20   609.967  132.503 8.0419  148.600 3.7898  -16.09705      8.890181  
1 1 1 2   35  26 o 24.414  7.3963  337.853    212.459  822.420    417.746  168.785    246.755  37.103  10.117  20.553  7.8923  16.54984       12.83102  
1 1 1 2   35  27 o 60.427  2.6642  1988.54    174.372  2155.13    509.473  1966.43    185.580  61.178  7.8713  60.066  2.8525  1.112041       8.372281  
1 1 1 2   35  28 o 82.637  2.6289  3723.55    235.303  3108.61    382.984  4096.44    298.229  74.791  4.7525  86.540  3.1817  -11.74888      5.719223  
1 1 1 2   35  29 o 55.597  4.5957  1727.53    274.258  1706.58    504.542  1736.32    326.747  52.990  9.1198  55.365  5.5226  -2.374493      10.66163  
1 1 1 2   35  30 o 62.707  4.3608  2197.73    294.338  2101.28    534.129  2239.79    352.727  58.767  8.6503  62.888  5.2258  -4.120903      10.10627  
1 1 1 2   35  31 o 19.229  7.6738  151.760    240.916  31.952     439.001  203.392    288.190  21.574  9.5389  21.208  8.4151  0.3659134      12.72031  
1 1 1 2   35  32 o 20.318  8.3245  182.280    292.122  0.0000     0.0000   182.280    292.122  ?       ?       20.318  8.3245  0.000000       8.324501  
1 1 1 2   35  33 o 5.8088  2.6980  -34.4526   40.806   0.0000     0.0000   -34.4526   40.806   ?       ?       5.8088  2.6980  0.000000       2.697959  
1 1 1 2   35  34 o 32.660  10.740  898.675    439.723  0.0000     0.0000   898.675    439.723  ?       ?       32.660  10.740  0.000000       10.73994  
1 1 1 2   35  35 o 23.010  9.9944  344.686    463.094  0.0000     0.0000   344.686    463.094  ?       ?       23.010  9.9944  0.000000       9.994360  
1 1 1 2   36  0  o 100.645 2.6743  5486.16    291.516  5728.83    414.306  5248.21    410.257  102.841 3.7195  98.432  3.8481  4.409195       5.351888  
1 1 1 2   36  1  o 705.363 23.390  271722.59  17869.84 271722.59  17869.84 0.0000     0.0000   705.363 23.390  ?       ?       0.000000       23.39040  
1 1 1 2   36  2  o 157.322 3.3801  13405.92   575.962  13217.29   814.465  13594.62   814.602  156.197 4.8143  158.411 4.7478  -2.214691      6.761540  
1 1 1 2   36  3  o 623.644 11.901  211109.50  8039.05  213953.41  9845.72  205421.59  13924.22 627.485 14.487  613.716 20.948  13.76953       25.46896  
1 1 1 2   36  4  o 71.286  2.6135  2752.29    201.789  2634.81    288.755  2864.42    282.106  69.637  3.8433  72.720  3.5817  -3.082680      5.253546  
1 1 1 2   36  5  o 196.248 3.7221  20862.03   791.164  21251.01   1121.78  20477.06   1115.99  198.045 5.2297  194.404 5.3001  3.641113       7.445842  
1 1 1 2   36  6  o 700.508 13.315  266647.00  10102.46 261775.00  17496.67 269083.59  12373.40 691.654 23.356  703.120 16.248  -11.46564      28.45139  
1 1 1 2   36  7  o 464.772 9.1072  117190.90  4584.53  115687.90  5615.47  120194.90  7938.98  461.568 11.233  469.883 15.599  -8.315155      19.22261  
1 1 1 2   36  8  o 269.909 4.8226  39475.36   1409.83  38037.83   1994.22  40911.68   1993.39  264.866 6.9515  274.701 6.6998  -9.835205      9.654530  
1 1 1 2   36  9  o 173.600 3.6599  16327.06   688.161  16525.55   929.004  16085.71   1024.39  174.625 4.9118  172.271 5.4901  2.354462       7.366622  
1 1 1 2   36  10 o 77.018  2.7668  3213.19    230.804  3568.66    342.411  2917.20    312.454  81.156  3.8954  73.269  3.9519  7.887634       5.549051  
1 1 1 2   36  11 o 133.267 3.1204  9621.80    450.412  10939.95   889.641  9167.47    522.298  142.036 5.7829  130.072 3.7073  11.96310       6.869249  
1 1 1 2   36  12 f 226.176 5.9806  27750.09   1465.07  28155.70   2070.46  27343.33   2073.39  227.637 8.3976  224.317 8.5339  3.320190       11.97279  
1 1 1 2   36  13 f 152.236 4.6471  12565.45   766.250  12510.65   1079.98  12620.99   1087.34  151.817 6.5679  152.484 6.5837  -0.6671295     9.299566  
1 1 1 2   36  14 o 146.574 4.5810  11649.58   727.251  12331.26   1024.78  10957.94   1032.24  150.717 6.2777  142.053 6.7090  8.664459       9.188043  
1 1 1 2   36  15 o 126.043 3.0312  8608.94    413.816  8829.39    828.766  8535.73    477.615  127.530 6.0000  125.492 3.5139  2.037750       6.953215  
1 1 1 2   36  16 o 245.422 4.4967  32668.44   1195.31  35434.09   2391.46  31747.42   1380.07  255.076 8.6561  241.870 5.2681  13.20656       10.13315  
1 1 1 2   36  17 o 227.814 4.2529  28148.44   1049.39  29746.87   2099.49  27616.12   1211.59  233.702 8.2943  225.589 4.9587  8.112915       9.663565  
1 1 1 2   36  18 o 391.301 6.6815  83271.12   2831.73  86237.84   5661.99  82281.52   3270.09  395.795 13.208  388.681 7.7678  7.113831       15.32261  
1 1 1 2   36  19 o 105.743 3.0052  6061.42    344.191  6157.32    685.308  6029.07    398.035  106.254 5.9792  105.442 3.4853  0.8114166      6.920798  
1 1 1 2   36  20 o 282.989 5.3823  43538.92   1649.70  41456.24   3067.89  44386.12   1956.68  274.709 10.311  285.516 6.3273  -10.80661      12.09747  
1 1 1 2   36  21 o 179.720 4.1436  17544.55   806.581  17499.38   1821.71  17555.56   899.559  178.117 9.4770  179.710 4.6215  -1.593582      10.54381  
1 1 1 2   36  22 o 141.203 3.3510  10826.93   512.488  9560.40    1069.00  11204.90   583.972  131.761 7.5218  143.596 3.7547  -11.83513      8.406885  
1 1 1 2   36  23 o 34.217  5.4825  655.948    196.326  1114.86    430.846  535.687    220.555  43.954  9.3382  30.628  6.8232  13.32539       11.56543  
1 1 1 2   36  24 o 49.165  4.4358  1330.73    233.667  1255.87    459.922  1356.78    271.289  46.488  9.4562  49.513  5.1334  -3.025063      10.75973  
1 1 1 2   36  25 o 88.621  2.6871  4269.60    257.921  3695.71    437.037  4576.31    319.491  81.929  4.9482  91.672  3.2178  -9.742310      5.902465  
1 1 1 2   36  26 o 56.770  3.9932  1772.56    243.972  1860.23    488.060  1743.35    281.692  56.846  8.1609  56.139  4.6753  0.7070084      9.405260  
1 1 1 2   36  27 o 73.681  2.7609  2958.21    220.334  2868.59    554.970  2974.98    240.065  70.920  7.3307  73.848  3.0014  -2.927719      7.921290  
1 1 1 2   36  28 f 29.199  1.4182  462.656    44.852   468.428    45.487   260.240    269.382  29.380  1.4294  22.857  8.3526  6.522654       8.474007  
1 1 1 2   36  29 o 48.195  4.9938  1309.18    256.893  1184.10    481.276  1359.02    303.790  43.202  10.409  48.760  5.8703  -5.558136      11.94984  
1 1 1 2   36  30 o 56.824  4.5825  1814.15    279.638  1703.31    513.900  1860.78    333.303  52.186  9.4394  57.134  5.4523  -4.947975      10.90086  
1 1 1 2   36  31 o 21.262  2.8972  253.512    64.983   559.091    460.213  247.295    65.641   29.255  10.877  20.977  2.9723  8.277832       11.27623  
1 1 1 2   36  32 o 29.331  10.351  622.179    409.544  0.0000     0.0000   622.179    409.544  ?       ?       29.331  10.351  0.000000       10.35051  
1 1 1 2   36  33 o 22.835  9.6598  270.833    411.987  0.0000     0.0000   270.833    411.987  ?       ?       22.835  9.6598  0.000000       9.659792  
1 1 1 2   36  34 o 20.004  9.1574  43.796     446.441  0.0000     0.0000   43.796     446.441  ?       ?       20.004  9.1574  0.000000       9.157388  
1 1 1 2   36  35 f 22.159  9.7502  276.786    453.329  0.0000     0.0000   276.786    453.329  ?       ?       22.159  9.7502  0.000000       9.750223  
1 1 1 2   37  0  o 538.345 8.9131  157149.20  5197.08  159852.20  7350.31  154447.00  7349.26  542.623 12.507  533.347 12.722  9.276001       17.84010  
1 1 1 2   37  1  o 360.478 6.0047  70412.32   2344.44  72389.41   3316.19  68436.77   3314.90  365.403 8.3791  355.276 8.6146  10.12735       12.01748  
1 1 1 2   37  2  o 367.636 7.2499  73257.10   2886.81  75786.84   4999.41  71991.70   3535.85  373.625 12.354  364.365 8.9596  9.259979       15.26103  
1 1 1 2   37  3  o 830.748 27.546  378521.19  24785.81 378521.19  24785.81 0.0000     0.0000   830.748 27.546  ?       ?       0.000000       27.54632  
1 1 1 2   37  4  o 648.691 10.726  228345.00  7536.10  236313.30  10658.38 220378.80  10656.94 659.290 14.926  636.585 15.456  22.70532       21.48684  
1 1 1 2   37  5  o 217.954 4.7350  25736.56   1117.77  25512.62   1932.30  25849.18   1370.30  216.912 8.2247  218.407 5.7927  -1.495514      10.05986  
1 1 1 2   37  6  o 475.942 11.309  122994.50  5829.75  125196.30  8243.98  120792.00  8245.04  479.575 15.871  471.020 16.162  8.555695       22.65152  
1 1 1 2   37  7  o 359.240 7.1106  69971.38   2766.69  69374.03   3389.72  71163.48   4788.56  357.595 8.7519  361.872 12.217  -4.277069      15.02866  
1 1 1 2   37  8  o 396.278 6.7183  85145.83   2883.55  84320.24   4078.36  85971.08   4077.55  394.110 9.5543  397.959 9.4600  -3.848785      13.44528  
1 1 1 2   37  9  o 130.305 3.0316  9197.87    427.863  9474.06    610.069  8930.52    600.229  132.229 4.2597  128.379 4.3167  3.850082       6.064594  
1 1 1 2   37  10 o 374.074 6.9244  75911.13   2805.49  76713.76   3682.38  74800.72   4331.23  375.818 9.0465  370.873 10.782  4.944580       14.07479  
1 1 1 2   37  11 o 476.129 11.341  123439.80  5848.74  123412.90  8273.01  123466.70  8269.74  474.773 16.088  474.880 16.078  -0.1068115     22.74508  
1 1 1 2   37  12 o 204.633 6.2136  22720.24   1377.17  23301.31   1719.72  21681.41   2299.41  207.130 7.6656  199.248 10.694  7.882660       13.15766  
1 1 1 2   37  13 o 417.311 8.1601  94655.73   3688.27  95818.84   6387.97  94074.09   4517.31  418.354 14.098  415.638 10.034  2.716064       17.30420  
1 1 1 2   37  14 f 333.691 6.6638  60470.13   2408.43  63506.98   4173.20  58953.52   2949.12  341.079 11.296  329.233 8.2703  11.84665       14.00028  
1 1 1 2   37  15 o 113.652 3.0222  6999.61    372.029  7278.40    741.027  6905.66    430.171  115.637 5.9365  112.874 3.5186  2.762878       6.900965  
1 1 1 2   37  16 f 364.680 6.2866  72240.47   2483.14  74962.42   4965.07  71332.56   2867.51  369.875 12.394  362.189 7.3097  7.686890       14.38870  
1 1 1 2   37  17 o 127.271 3.1189  8779.19    429.928  9781.77    855.013  8439.92    497.381  134.201 5.8823  124.767 3.6806  9.433479       6.938900  
1 1 1 2   37  18 o 363.447 6.2715  71810.48   2468.77  71591.55   4937.28  71883.46   2850.74  360.787 12.635  363.400 7.2427  -2.612488      14.56345  
1 1 1 2   37  19 o 194.631 4.0667  20553.07   857.281  19336.95   1611.85  21032.78   1012.34  188.298 7.9033  196.823 4.7488  -8.525009      9.220266  
1 1 1 2   37  20 o 171.537 3.5796  15963.98   665.057  15545.79   1321.11  16105.93   769.698  168.808 7.2256  172.247 4.1257  -3.439270      8.320527  
1 1 1 2   37  21 o 199.302 3.9048  21572.03   842.901  19591.22   1671.68  22247.32   976.063  189.034 8.1648  202.311 4.4544  -13.27739      9.300790  
1 1 1 2   37  22 f 173.880 3.6057  16427.74   679.057  16654.14   1350.94  16351.20   785.502  174.227 7.1590  173.375 4.1830  0.8518829      8.291519  
1 1 1 2   37  23 o 38.901  1.8183  820.467    76.612   707.708    436.044  824.059    77.823   35.225  10.579  38.985  1.8430  -3.760509      10.73843  
1 1 1 2   37  24 o 23.063  7.1681  293.957    197.972  330.605    410.169  282.826    226.045  27.305  10.246  23.113  7.7052  4.191841       12.81991  
1 1 1 2   37  25 o 145.648 3.4185  11562.73   539.276  11655.17   1075.81  11531.71   623.233  144.825 6.8584  145.293 3.9604  -0.4681854     7.919703  
1 1 1 2   37  26 o 45.855  4.8594  1169.47    237.669  1097.86    459.654  1195.61    277.667  42.770  10.086  46.156  5.6738  -3.385353      11.57265  
1 1 1 2   37  27 o 72.765  3.5508  2897.75    279.847  2401.22    556.567  3065.76    323.748  64.388  8.1642  74.632  4.0199  -10.24393      9.100215  
1 1 1 2   37  28 o 52.315  2.4614  1491.46    139.468  1495.36    156.013  1475.93    311.197  52.269  2.7656  51.059  5.7259  1.210560       6.358805  
1 1 1 2   37  29 o 34.279  1.1667  637.420    43.317   138.407    445.071  642.192    43.524   23.887  10.069  34.407  1.1679  -10.51919      10.13658  
1 1 1 2   37  30 o 38.480  6.5868  874.887    264.652  316.354    470.970  1132.64    319.944  26.399  10.661  43.677  6.9996  -17.27785      12.75331  
1 1 1 2   37  31 o 20.257  7.8029  203.621    241.720  24.142     444.454  279.004    288.044  21.386  9.5196  22.585  8.5615  -1.199532      12.80315  
1 1 1 2   37  32 o 19.188  8.7968  -77.6678   414.053  0.0000     0.0000   -77.6678   414.053  ?       ?       19.188  8.7968  0.000000       8.796803  
1 1 1 2   37  33 o 37.461  10.757  1104.90    459.446  0.0000     0.0000   1104.90    459.446  ?       ?       37.461  10.757  0.000000       10.75731  
1 1 1 2   37  34 o 27.317  10.639  620.670    453.231  0.0000     0.0000   620.670    453.231  ?       ?       27.317  10.639  0.000000       10.63905  
1 1 1 2   38  0  o 572.716 9.5429  177899.50  5919.59  182790.30  8372.11  173010.09  8371.00  580.119 13.324  564.339 13.695  15.77979       19.10753  
1 1 1 2   38  1  o 463.874 7.7820  116648.80  3909.87  120381.90  5530.11  112917.70  5528.67  471.014 10.840  456.148 11.190  14.86563       15.57979  
1 1 1 2   38  2  o 230.859 4.2921  28871.60   1073.20  28870.22   1518.46  28872.97   1517.02  230.817 6.0739  230.828 6.0678  -0.1115417E-01 8.585456  
1 1 1 2   38  3  o 330.784 5.7241  59289.84   2050.79  61168.73   2900.73  57412.18   2899.78  335.894 7.9733  325.404 8.2276  10.48932       11.45713  
1 1 1 2   38  4  o 339.618 5.8523  62502.52   2152.71  64331.89   3045.80  60676.50   3043.00  344.449 8.1641  334.508 8.3989  9.941071       11.71298  
1 1 1 2   38  5  o 375.318 7.3292  76366.98   2979.38  74543.87   5158.09  77279.78   3649.80  370.399 12.857  377.457 8.9275  -7.057770      15.65282  
1 1 1 2   38  6  o 460.350 8.8841  114967.90  4429.65  115949.10  5425.63  113006.60  7671.16  462.112 10.840  455.585 15.546  6.527496       18.95228  
1 1 1 2   38  7  o 409.632 6.9155  90981.13   3068.23  92254.29   4339.75  89708.67   4338.52  412.246 9.7194  406.505 9.8538  5.740875       13.84067  
1 1 1 2   38  8  o 643.105 11.378  224805.20  7925.19  229179.50  10352.38 218612.00  12317.98 648.523 14.738  632.443 17.982  16.08002       23.25042  
1 1 1 2   38  9  o 220.394 4.1267  26319.73   985.080  26520.29   1395.48  26120.54   1390.76  221.171 5.8254  219.496 5.8500  1.674255       8.255764  
1 1 1 2   38  10 o 203.837 5.5504  22527.83   1225.40  22378.31   1735.11  22676.60   1730.84  203.036 7.8901  204.390 7.8186  -1.353165      11.10786  
1 1 1 2   38  11 o 654.072 15.419  234157.59  10923.56 229822.00  15448.64 238492.80  15447.84 644.385 22.135  656.692 21.719  -12.30676      31.01056  
1 1 1 2   38  12 o 376.954 9.1461  77278.29   3734.18  77444.70   5281.00  77111.88   5280.85  376.561 12.948  375.744 12.976  0.8168335      18.33123  
1 1 1 2   38  13 o 88.762  3.2518  4269.34    312.622  3688.44    524.440  4589.54    389.363  82.233  5.9279  92.018  3.9067  -9.785225      7.099452  
1 1 1 2   38  14 o 145.451 3.6895  11467.12   581.240  11412.04   1009.59  11494.42   710.868  144.972 6.4297  145.593 4.5079  -0.6206055     7.852573  
1 1 1 2   38  15 o 287.045 5.0826  44703.01   1580.18  48643.65   3159.06  43388.02   1824.89  298.692 9.7648  282.694 5.9601  15.99835       11.44002  
1 1 1 2   38  16 o 228.080 4.6064  28218.59   1137.95  28365.81   2133.45  28160.05   1345.29  228.199 8.6317  227.767 5.4532  0.4317627      10.21003  
1 1 1 2   38  17 o 350.757 6.0807  66841.90   2310.10  67857.28   4618.45  66503.09   2667.81  351.737 12.123  349.676 7.0440  2.061890       14.02083  
1 1 1 2   38  18 o 119.311 3.0670  7716.37    396.342  7576.90    788.236  7763.57    458.522  117.894 6.1947  119.656 3.5380  -1.762413      7.133826  
1 1 1 2   38  19 o 233.583 4.3319  29612.99   1095.95  31751.14   2191.99  28900.35   1265.48  241.135 8.3928  230.661 5.0654  10.47400       9.802943  
1 1 1 2   38  20 o 72.372  3.2022  2840.78    251.010  2437.29    482.293  2990.68    293.961  66.521  6.7891  74.239  3.6558  -7.718826      7.710861  
1 1 1 2   38  21 o 85.859  3.1245  3999.90    290.556  4502.54    551.180  3806.47    341.923  90.726  5.6370  83.721  3.7707  7.005310       6.781879  
1 1 1 2   38  22 f 120.206 3.0948  7845.28    402.932  6919.06    790.454  8170.44    468.350  112.206 6.5324  122.624 3.5263  -10.41837      7.423426  
1 1 1 2   38  23 o 81.987  3.2293  3654.26    286.763  3759.62    588.366  3621.43    328.411  82.397  6.6494  81.568  3.7173  0.8297119      7.617896  
1 1 1 2   38  24 o 85.493  2.9055  3973.97    269.043  3702.34    614.685  4038.34    299.228  81.460  7.0359  86.146  3.2070  -4.686127      7.732352  
1 1 1 2   38  25 o 66.402  3.5995  2412.45    257.911  2327.40    525.499  2439.44    296.016  64.055  7.7308  66.669  4.1196  -2.614021      8.759892  
1 1 1 2   38  26 o 45.867  5.0149  1172.36    245.073  1448.09    464.077  1065.74    288.596  49.691  8.9520  43.340  6.3350  6.350761       10.96679  
1 1 1 2   38  27 o 43.411  4.9823  1055.10    230.021  1149.00    462.160  1024.19    265.202  43.456  10.024  42.479  5.9255  0.9768906      11.64407  
1 1 1 2   38  28 o 68.202  2.3058  2533.24    170.330  2259.17    263.913  2728.90    222.991  63.985  3.8256  70.669  2.9133  -6.683990      4.808625  
1 1 1 2   38  29 o 50.498  4.7718  1432.43    257.902  1397.26    492.994  1445.68    302.613  47.239  9.9497  50.381  5.6424  -3.142323      11.43822  
1 1 1 2   38  30 o 22.301  7.8216  276.662    233.606  -51.1605   442.794  403.097    274.990  21.154  9.4527  25.898  8.4921  -4.743540      12.70707  
1 1 1 2   38  31 o 17.491  7.4328  64.167     245.743  211.046    434.368  -4.9747    298.022  23.371  9.9044  17.774  7.8591  5.596758       12.64372  
1 1 1 2   38  32 o 41.567  10.087  1242.44    449.503  0.0000     0.0000   1242.44    449.503  ?       ?       41.567  10.087  0.000000       10.08661  
1 1 1 2   38  33 o 9.6345  3.0943  50.981     36.616   0.0000     0.0000   50.981     36.616   ?       ?       9.6345  3.0943  0.000000       3.094290  
1 1 1 2   38  34 o 26.933  1.9897  401.181    57.632   0.0000     0.0000   401.181    57.632   ?       ?       26.933  1.9897  0.000000       1.989720  
1 1 1 2   39  0  o 719.795 16.822  281961.41  13114.60 277413.81  18547.35 286508.50  18546.35 712.150 24.046  723.845 23.656  -11.69525      33.73147  
1 1 1 2   39  1  o 138.319 3.0979  10362.76   464.103  10657.27   657.909  10071.05   654.783  140.259 4.3308  136.346 4.4339  3.913193       6.197973  
1 1 1 2   39  2  o 296.172 5.0652  47525.50   1624.83  49206.59   2298.14  45845.25   2297.57  301.299 7.0422  290.817 7.2942  10.48242       10.13895  
1 1 1 2   39  3  o 715.254 13.326  277969.09  10323.42 312314.41  17884.16 260806.41  12642.33 756.055 21.840  692.135 16.864  63.92004       27.59296  
1 1 1 2   39  4  o 276.990 5.7453  41576.82   1723.65  43323.01   2983.30  40701.84   2111.79  282.573 9.7476  274.012 7.1156  8.561157       12.06843  
1 1 1 2   39  5  o 123.457 4.0937  8257.07    547.396  8437.82    774.774  8076.92    773.498  124.779 5.7328  122.079 5.8499  2.699440       8.190583  
1 1 1 2   39  6  o 104.894 3.1698  5959.96    360.118  6052.00    445.456  5786.31    611.823  105.694 3.8912  103.183 5.4943  2.510986       6.732699  
1 1 1 2   39  7  o 228.477 4.2559  28283.80   1053.17  27677.44   1489.59  28889.87   1489.23  225.957 6.0866  230.858 5.9559  -4.900955      8.515803  
1 1 1 2   39  8  o 203.880 3.8863  22521.23   858.182  24214.82   1215.79  20839.51   1211.52  211.365 5.3108  196.068 5.7050  15.29668       7.794287  
1 1 1 2   39  9  o 449.054 10.740  109648.30  5223.67  106608.00  7388.17  112687.30  7386.59  441.831 15.439  454.358 15.010  -12.52679      21.53248  
1 1 1 2   39  10 o 278.494 7.0525  42087.84   2127.29  40407.70   3009.85  43764.82   3007.03  272.577 10.195  283.721 9.7853  -11.14453      14.13120  
1 1 1 2   39  11 o 277.436 7.0248  41780.75   2110.91  38389.59   2985.60  45170.43   2984.94  265.574 10.379  288.186 9.5630  -22.61139      14.11325  
1 1 1 2   39  12 o 304.587 5.2983  50315.74   1747.92  54218.95   3498.49  49017.30   2017.82  315.544 10.236  300.549 6.1986  14.99515       11.96696  
1 1 1 2   39  13 o 95.696  3.3021  4962.62    342.256  5210.30    578.966  4829.57    424.340  97.846  5.4852  94.387  4.1508  3.459328       6.878717  
1 1 1 2   39  14 o 239.985 5.0836  31242.72   1321.36  33819.64   2288.77  29954.45   1618.29  249.307 8.4761  234.872 6.3615  14.43600       10.59778  
1 1 1 2   39  15 o 30.998  4.6601  532.764    151.616  815.324    276.921  411.803    181.185  38.145  6.9591  26.998  6.3096  11.14681       9.393644  
1 1 1 2   39  16 o 42.486  3.6838  985.935    167.840  877.006    317.075  1028.34    197.829  39.479  7.6917  43.335  4.2703  -3.856239      8.797621  
1 1 1 2   39  17 o 253.420 4.8513  34852.60   1331.59  35914.98   2494.03  34429.01   1574.84  256.602 8.9737  251.765 5.7752  4.836777       10.67148  
1 1 1 2   39  18 o 105.833 3.0220  6071.48    346.411  6824.06    686.148  5814.04    401.311  111.923 5.6787  103.545 3.5783  8.378250       6.712122  
1 1 1 2   39  19 o 231.490 4.3242  29087.79   1084.19  30169.76   2168.22  28727.06   1251.95  234.972 8.5196  229.956 5.0266  5.015930       9.891894  
1 1 1 2   39  20 o 65.214  3.3117  2313.05    233.152  1353.88    446.088  2673.55    273.478  48.999  8.7253  70.098  3.6143  -21.09885      9.444269  
1 1 1 2   39  21 o 73.693  2.6824  2945.45    214.104  3062.94    485.295  2917.05    238.578  74.678  6.0520  73.323  3.0041  1.354774       6.756569  
1 1 1 2   39  22 f 95.318  3.0034  4933.02    310.073  4125.98    601.790  5224.72    361.796  86.535  6.4674  98.060  3.4065  -11.52415      7.309696  
1 1 1 2   39  23 o 137.586 3.3129  10295.15   493.694  9136.39    977.248  10692.22   572.062  128.475 7.0498  140.127 3.7692  -11.65240      7.994191  
1 1 1 2   39  24 o 39.066  5.2740  852.112    217.452  1037.18    428.677  787.993    252.325  42.050  9.6207  37.260  6.4881  4.789879       11.60407  
1 1 1 2   39  25 o 43.257  2.3657  1019.70    110.419  926.229    445.920  1025.80    113.968  39.408  10.324  43.378  2.4356  -3.969978      10.60709  
1 1 1 2   39  26 o 57.328  3.9536  1808.10    243.990  1774.82    499.628  1818.53    279.597  55.233  8.6345  57.353  4.5380  -2.120346      9.754349  
1 1 1 2   39  27 o 60.894  2.5495  2019.71    168.151  1980.85    516.053  2024.33    177.857  58.186  8.4345  60.943  2.6945  -2.757698      8.854412  
1 1 1 2   39  28 o 32.486  1.9528  575.936    68.391   568.193    70.851   681.698    261.848  32.255  2.0385  33.922  7.3400  -1.666992      7.617798  
1 1 1 2   39  29 o 97.577  3.4550  5235.34    365.149  4682.26    704.192  5438.74    427.047  89.719  7.3102  99.213  3.9741  -9.493843      8.320582  
1 1 1 2   39  30 o 51.384  2.4092  1443.82    134.081  1612.84    500.880  1430.77    139.160  50.347  9.5343  51.130  2.5129  -0.7829361     9.859895  
1 1 1 2   39  31 o ?       ?       -358.6739  49.871   0.0000     0.0000   -358.6739  49.871   ?       ?       ?       ?       0.000000       ?         
1 1 1 2   39  32 o 21.964  9.2534  212.301    375.557  0.0000     0.0000   212.301    375.557  ?       ?       21.964  9.2534  0.000000       9.253412  
1 1 1 2   39  33 o 37.179  9.8651  1039.17    403.819  0.0000     0.0000   1039.17    403.819  ?       ?       37.179  9.8651  0.000000       9.865059  
1 1 1 2   39  34 o 20.687  9.2427  150.688    423.170  0.0000     0.0000   150.688    423.170  ?       ?       20.687  9.2427  0.000000       9.242725  
1 1 1 2   40  0  o 647.141 10.637  227270.91  7455.83  229858.20  10544.84 224684.20  10543.44 650.150 14.975  642.761 15.145  7.389099       21.29797  
1 1 1 2   40  1  o 511.938 9.1582  142152.00  5078.08  143910.80  7879.25  140902.50  6641.37  514.541 14.138  509.394 12.037  5.146484       18.56850  
1 1 1 2   40  2  o 837.431 27.821  385422.31  25234.03 385422.31  25234.03 0.0000     0.0000   837.431 27.821  ?       ?       0.000000       27.82065  
1 1 1 2   40  3  o 188.771 4.2343  19304.99   865.749  18615.57   1494.79  19652.99   1062.01  185.300 7.4479  190.449 5.1485  -5.148651      9.054161  
1 1 1 2   40  4  o 307.448 6.1758  51232.02   2056.54  51061.54   3558.26  51317.53   2520.07  306.684 10.712  307.642 7.5631  -0.9581909     13.11298  
1 1 1 2   40  5  o 328.495 6.5298  58497.16   2323.25  59125.26   2846.36  57243.52   4021.27  330.174 7.9593  324.619 11.437  5.554321       13.93413  
1 1 1 2   40  6  o 226.507 4.1700  27797.11   1023.02  29297.96   1448.56  26303.66   1444.98  232.494 5.7525  220.283 6.0564  12.21104       8.352852  
1 1 1 2   40  7  o 343.875 5.9378  64103.94   2211.54  63730.58   3128.14  64477.04   3127.04  342.694 8.4277  344.700 8.3757  -2.005463      11.88187  
1 1 1 2   40  8  o 476.376 13.023  123581.40  6719.60  127410.10  8024.12  114592.90  12294.51 483.183 15.333  454.686 25.062  28.49689       29.37984  
1 1 1 2   40  9  o 248.358 6.3999  33455.60   1721.55  34495.82   2436.20  32418.04   2433.07  252.005 8.9255  244.275 9.1961  7.729950       12.81536  
1 1 1 2   40  10 o 382.725 9.2732  79622.99   3844.01  77423.73   5436.72  81821.49   5435.78  376.654 13.327  387.284 12.959  -10.63049      18.58846  
1 1 1 2   40  11 o 301.558 5.3214  49315.75   1738.07  48373.38   2459.75  50255.45   2456.26  298.447 7.6094  304.215 7.4546  -5.767822      10.65245  
1 1 1 2   40  12 f 190.089 3.9044  19584.53   803.863  21619.17   1527.67  18805.44   945.321  199.531 7.0689  186.236 4.6865  13.29541       8.481261  
1 1 1 2   40  13 o 79.419  3.2242  3417.98    277.344  3372.12    478.715  3441.15    340.267  78.630  5.6589  79.675  3.9430  -1.045372      6.897130  
1 1 1 2   40  14 o 282.705 5.8248  43381.74   1783.54  44303.43   3087.55  42920.16   2184.96  285.055 10.0000 281.029 7.1783  4.025330       12.30997  
1 1 1 2   40  15 o 192.111 3.9182  20009.53   815.279  18256.67   2007.20  20355.86   892.192  182.628 10.188  193.747 4.2516  -11.11832      11.03950  
1 1 1 2   40  16 o 138.904 3.1872  10457.51   479.500  9627.96    942.580  10747.14   556.951  133.105 6.5381  140.796 3.6522  -7.691086      7.489030  
1 1 1 2   40  17 o 35.230  4.7330  685.581    176.031  984.595    327.728  564.336    208.690  41.907  7.4955  31.669  6.3057  10.23742       9.795150  
1 1 1 2   40  18 o 133.718 3.1621  9693.46    457.965  9125.23    909.391  9886.54    530.089  129.355 6.5116  135.020 3.6248  -5.665131      7.452532  
1 1 1 2   40  19 o 103.135 2.9012  5766.69    324.082  5471.72    671.376  5856.31    370.049  100.076 6.2248  103.917 3.2878  -3.841438      7.039689  
1 1 1 2   40  20 o 256.635 4.6806  35797.25   1301.04  35692.73   2593.21  35832.41   1504.04  254.866 9.3941  256.605 5.4116  -1.738937      10.84133  
1 1 1 2   40  21 o 125.552 3.1663  8555.89    430.569  8739.37    844.045  8491.35    500.603  126.494 6.1606  125.026 3.6968  1.468102       7.184669  
1 1 1 2   40  22 o 190.229 3.7719  19682.37   777.158  17653.63   1542.25  20372.86   899.744  178.827 7.9625  193.413 4.2950  -14.58600      9.047028  
1 1 1 2   40  23 o 108.642 3.0710  6416.35    361.363  6649.03    746.574  6345.16    412.961  109.754 6.3068  107.972 3.5313  1.782097       7.228147  
1 1 1 2   40  24 o 82.807  3.1611  3731.85    283.515  3125.95    506.302  4008.63    342.198  74.994  6.2914  85.747  3.6846  -10.75315      7.290897  
1 1 1 2   40  25 o 93.677  3.2597  4783.51    330.736  5033.30    648.818  4695.82    384.432  95.039  6.3394  92.700  3.8289  2.339310       7.405957  
1 1 1 2   40  26 o 24.242  7.4146  333.746    212.792  383.039    416.469  316.331    247.544  27.944  10.356  24.119  8.0636  3.825352       13.12509  
1 1 1 2   40  27 o 82.524  3.3231  3725.29    297.029  3509.13    598.607  3795.90    342.117  78.421  7.1253  83.175  3.7976  -4.754089      8.074133  
1 1 1 2   40  28 o 21.833  2.1573  261.984    50.347   251.912    51.241   543.132    270.727  21.392  2.2450  30.052  8.1234  -8.660004      8.427957  
1 1 1 2   40  29 o 29.809  2.1556  486.622    69.128   685.545    464.503  482.117    69.907   33.051  11.046  29.664  2.1913  3.386911       11.26105  
1 1 1 2   40  30 o 34.981  6.6635  733.070    243.247  606.380    471.043  779.141    284.052  30.755  11.074  35.618  7.5949  -4.863798      13.42802  
1 1 1 2   40  31 o 21.725  8.5613  244.005    296.390  0.0000     0.0000   244.005    296.390  ?       ?       21.725  8.5613  0.000000       8.561275  
1 1 1 2   40  32 f 50.100  8.4771  1667.65    443.589  0.0000     0.0000   1667.65    443.589  ?       ?       50.100  8.4771  0.000000       8.477063  
1 1 1 2   40  33 o 24.779  10.046  419.649    420.023  0.0000     0.0000   419.649    420.023  ?       ?       24.779  10.046  0.000000       10.04628  
1 1 1 2   40  34 o 21.003  9.3325  175.561    425.257  0.0000     0.0000   175.561    425.257  ?       ?       21.003  9.3325  0.000000       9.332494  
1 1 1 2   41  0  o 315.672 5.5262  53997.94   1889.43  52055.13   2672.42  55939.67   2671.69  309.840 7.9634  321.207 7.6795  -11.36688      11.06297  
1 1 1 2   41  1  o 398.872 6.6980  86238.36   2893.68  92589.91   4093.83  79896.36   4090.75  413.138 9.1488  383.724 9.8427  29.41382       13.43796  
1 1 1 2   41  2  o 295.994 5.2309  47473.74   1676.97  48978.31   2372.94  45972.57   2370.25  300.567 7.2891  291.188 7.5154  9.378876       10.46959  
1 1 1 2   41  3  o 256.752 5.3209  35722.14   1479.67  35650.88   2561.06  35757.84   1812.86  256.336 9.2245  256.840 6.5167  -0.5042114     11.29418  
1 1 1 2   41  4  o 276.498 6.9707  41449.64   2087.55  42535.08   2952.12  40364.00   2952.38  279.943 9.7363  272.689 9.9962  7.254425       13.95420  
1 1 1 2   41  5  o 73.053  3.0250  2890.76    239.345  3052.38    297.556  2594.51    402.852  75.063  3.6599  68.976  5.4364  6.086533       6.553574  
1 1 1 2   41  6  o 206.791 3.9317  23168.21   880.603  23518.45   1246.48  22819.23   1244.24  208.305 5.5248  205.182 5.5988  3.122253       7.865754  
1 1 1 2   41  7  o 317.499 6.3943  54660.87   2198.89  56375.21   2693.60  51236.16   3807.13  322.346 7.7151  306.961 11.451  15.38461       13.80755  
1 1 1 2   41  8  o 410.791 9.8939  91703.32   4402.10  89915.42   6226.95  93489.56   6224.06  406.032 14.159  414.081 13.878  -8.048767      19.82623  
1 1 1 2   41  9  o 128.006 4.3042  8880.25    596.753  9054.31    854.289  8714.38    833.952  129.205 6.1046  126.758 6.0743  2.447685       8.611782  
1 1 1 2   41  10 o 183.861 3.6263  18318.15   722.149  19040.96   1025.38  17606.80   1017.22  187.400 5.0518  180.198 5.2119  7.202408       7.258374  
1 1 1 2   41  11 f 97.014  2.8518  5099.05    299.655  4986.09    435.177  5200.91    413.226  95.911  4.1892  97.961  3.8946  -2.050163      5.719912  
1 1 1 2   41  12 o 262.449 5.4273  37364.41   1542.76  38890.48   2680.07  36608.13   1886.70  267.328 9.2562  259.665 6.7084  7.663666       11.43152  
1 1 1 2   41  13 f 108.033 3.3835  6325.12    395.913  6447.82    682.080  6262.78    486.202  108.846 5.8067  107.479 4.1766  1.366463       7.152698  
1 1 1 2   41  14 o 449.915 9.7633  110347.30  4757.72  112144.50  7415.46  109089.90  6202.68  451.476 15.165  446.280 12.832  5.195740       19.86538  
1 1 1 2   41  15 o 353.051 6.5928  67723.87   2521.04  67726.43   4681.01  67722.82   2992.04  351.632 12.291  352.810 7.8299  -1.178528      14.57299  
1 1 1 2   41  16 o 315.825 6.4781  54206.24   2215.97  50559.59   5571.99  54891.36   2415.18  301.428 17.138  317.718 7.0184  -16.28946      18.51917  
1 1 1 2   41  17 o 384.028 7.0597  80247.67   2936.41  77777.81   8196.46  80611.34   3145.18  371.105 20.471  384.767 7.5471  -13.66132      21.81801  
1 1 1 2   41  18 o 387.321 7.1298  81696.53   2991.04  83683.37   5547.52  80882.25   3551.46  389.410 13.153  384.929 8.5184  4.481262       15.67038  
1 1 1 2   41  19 f 186.843 3.7228  18941.28   753.374  19154.04   1503.20  18869.91   870.608  187.369 7.4071  186.431 4.3116  0.9384308      8.570563  
1 1 1 2   41  20 o 102.507 2.9909  5699.49    332.066  5018.67    661.543  5928.80    383.939  95.709  6.4189  104.526 3.3913  -8.817261      7.259695  
1 1 1 2   41  21 o 132.148 3.1900  9480.25    456.581  8948.24    897.612  9665.96    530.312  127.735 6.5095  133.384 3.6708  -5.648392      7.473205  
1 1 1 2   41  22 o 122.607 3.1773  8167.49    421.934  7444.32    854.353  8400.77    485.239  116.181 6.8193  124.287 3.6046  -8.106544      7.713387  
1 1 1 2   41  23 o 65.194  3.7242  2322.53    261.882  2453.22    499.947  2273.11    307.434  66.260  7.0757  64.373  4.4365  1.887184       8.351553  
1 1 1 2   41  24 o 27.434  1.7826  409.951    52.679   405.687    53.795   509.567    260.010  27.286  1.8309  29.683  7.9348  -2.397589      8.143259  
1 1 1 2   41  25 o 64.056  3.6071  2247.47    249.240  1897.31    498.772  2364.00    287.741  57.448  8.2530  65.602  4.0697  -8.153820      9.201875  
1 1 1 2   41  26 o 63.671  3.6863  2225.24    253.127  2290.76    504.017  2203.14    292.720  63.322  7.4943  63.200  4.3018  0.1213799      8.641168  
1 1 1 2   41  27 o 68.904  3.6820  2611.28    273.799  2238.25    531.845  2745.79    319.371  61.959  8.1207  70.500  4.2016  -8.540726      9.143219  
1 1 1 2   41  28 o 85.860  2.9669  4032.68    275.906  3186.45    418.436  4683.60    366.987  75.404  5.1543  92.285  3.6715  -16.88068      6.328300  
1 1 1 2   41  29 o 82.764  3.6099  3775.29    323.601  3355.58    615.713  3935.47    380.372  75.489  7.6355  84.258  4.1680  -8.768845      8.699020  
1 1 1 2   41  30 o 60.456  4.3307  2058.34    281.697  1780.10    528.419  2168.81    332.953  52.463  9.6552  61.660  5.0293  -9.197437      10.88657  
1 1 1 2   41  31 o 3.8191  1.9028  -80.5330   31.410   0.0000     0.0000   -80.5330   31.410   ?       ?       3.8191  1.9028  0.000000       1.902759  
1 1 1 2   41  32 o 24.811  9.6669  397.209    374.305  0.0000     0.0000   397.209    374.305  ?       ?       24.811  9.6669  0.000000       9.666937  
1 1 1 2   41  33 o 26.947  9.9833  550.870    386.963  0.0000     0.0000   550.870    386.963  ?       ?       26.947  9.9833  0.000000       9.983258  
1 1 1 2   41  34 o 32.301  10.291  859.539    405.610  0.0000     0.0000   859.539    405.610  ?       ?       32.301  10.291  0.000000       10.29069  
1 1 1 2   42  0  o 238.113 4.3182  30717.22   1113.67  32211.98   1576.63  29228.74   1573.32  243.792 5.9709  232.220 6.2553  11.57216       8.647555  
1 1 1 2   42  1  o 383.710 6.4631  79807.98   2686.03  84287.27   3800.13  75335.81   3797.12  394.168 8.9012  372.612 9.4087  21.55615       12.95197  
1 1 1 2   42  2  o 172.886 3.9948  16192.63   748.047  16014.32   1294.48  16282.04   916.582  171.868 6.9539  173.347 4.8819  -1.479050      8.496464  
1 1 1 2   42  3  f 416.704 8.1061  94184.85   3658.56  91595.61   6335.08  95480.54   4481.41  410.261 14.257  419.402 9.8654  -9.141144      17.33729  
1 1 1 2   42  4  o 261.301 5.5095  37004.73   1559.28  36305.81   1910.78  38397.94   2697.76  258.768 6.8176  265.980 9.3645  -7.211884      11.58329  
1 1 1 2   42  5  o 369.914 6.3294  74185.59   2535.90  77451.70   3587.24  70922.90   3585.36  377.778 8.7670  361.470 9.1578  16.30765       12.67776  
1 1 1 2   42  6  o 300.504 6.1242  48958.91   1993.30  49922.46   2441.78  47034.15   3451.10  303.366 7.4314  294.185 10.831  9.180847       13.13525  
1 1 1 2   42  7  o 143.167 4.5036  11107.66   698.347  10652.23   991.869  11555.35   983.408  140.148 6.5343  145.979 6.2198  -5.830048      9.021198  
1 1 1 2   42  8  o 73.021  3.9347  2897.70    310.043  2411.30    446.749  3349.64    430.629  66.381  6.2886  78.442  5.0962  -12.06103      8.094306  
1 1 1 2   42  9  o 113.224 3.3371  6945.87    409.234  6917.03    712.426  6960.08    499.946  112.782 5.8523  113.327 4.0731  -0.5450592     7.130167  
1 1 1 2   42  10 o 279.561 5.4036  42383.99   1636.19  43105.55   2159.75  41412.03   2506.64  281.790 7.0763  276.066 8.3832  5.724213       10.97051  
1 1 1 2   42  11 o 131.719 3.2116  9401.02    458.186  9318.97    639.568  9487.53    656.718  131.109 4.5039  132.287 4.5834  -1.177933      6.425943  
1 1 1 2   42  12 o 107.918 3.3109  6311.18    386.999  7051.37    676.713  5951.45    471.757  114.007 5.4803  104.778 4.1570  9.228966       6.878531  
1 1 1 2   42  13 o 38.586  5.4924  824.040    223.061  976.307    319.616  679.451    311.454  41.780  7.3303  34.653  8.3882  7.126614       11.13979  
1 1 1 2   42  14 o 55.299  3.1772  1662.69    189.499  1456.81    370.855  1735.44    220.452  51.332  6.8405  56.467  3.6237  -5.134304      7.741045  
1 1 1 2   42  15 o 239.619 4.4116  31141.25   1144.96  30735.29   2288.71  31276.76   1322.32  237.505 8.8971  240.081 5.0852  -2.575241      10.24782  
1 1 1 2   42  16 o 286.812 5.1018  44648.32   1584.85  45323.09   3168.60  44423.20   1830.23  288.020 10.157  285.979 5.9088  2.041168       11.75089  
1 1 1 2   42  17 f 132.386 3.2244  9501.16    462.336  9088.42    894.935  9651.42    539.974  129.283 6.3912  133.405 3.7371  -4.122406      7.403553  
1 1 1 2   42  18 f 82.785  2.9635  3715.19    265.724  3705.31    517.211  3718.74    309.726  82.350  5.8366  82.809  3.4533  -0.4593430     6.781632  
1 1 1 2   42  19 o 143.280 3.2611  11134.60   506.086  11660.11   1007.76  10957.38   585.234  146.310 6.3593  142.096 3.8026  4.213837       7.409503  
1 1 1 2   42  20 o 132.741 3.2037  9560.63    460.608  9556.39    901.967  9562.13    535.730  132.347 6.2923  132.706 3.7272  -0.3590088     7.313334  
1 1 1 2   42  21 o 83.186  2.4961  3753.43    224.896  3400.83    383.120  3938.81    277.794  78.916  4.5009  85.185  3.0108  -6.269028      5.415120  
1 1 1 2   42  22 o 71.959  3.1401  2813.66    244.739  2945.00    527.077  2777.56    276.334  72.880  6.7540  71.461  3.5702  1.419075       7.639584  
1 1 1 2   42  23 o 83.278  2.7885  3768.54    251.517  3575.87    385.900  3910.83    331.634  80.795  4.4267  84.738  3.6134  -3.942818      5.714179  
1 1 1 2   42  24 o 90.810  3.1682  4489.66    311.610  4497.28    626.397  4487.15    359.211  89.917  6.4752  90.705  3.6564  -0.7879639     7.436228  
1 1 1 2   42  25 o 83.593  2.8350  3804.14    256.677  3098.38    590.060  3968.86    285.060  73.970  7.4672  85.343  3.0839  -11.37305      8.078941  
1 1 1 2   42  26 o 94.727  3.2160  4899.14    329.959  4619.01    660.597  4992.27    380.873  90.494  6.7893  95.503  3.6821  -5.008598      7.723466  
1 1 1 2   42  27 o 98.119  3.2377  5266.87    344.079  4759.25    683.983  5438.85    398.122  91.388  6.9625  99.558  3.6921  -8.169373      7.880856  
1 1 1 2   42  28 o 15.125  6.5011  2.0772     191.891  -368.9226  285.418  308.095    259.219  13.836  6.6327  23.727  8.2439  -9.891071      10.58084  
1 1 1 2   42  29 o 63.066  2.6711  2175.67    182.457  1893.17    518.445  2215.60    194.927  55.624  8.9059  63.604  2.8296  -7.979515      9.344559  
1 1 1 2   42  30 o 41.633  5.7714  1015.43    253.249  627.049    460.982  1183.31    303.082  30.710  10.966  44.588  6.4644  -13.87761      12.72937  
1 1 1 2   42  31 o 4.3188  2.0796  -43.4130   28.783   0.0000     0.0000   -43.4130   28.783   ?       ?       4.3188  2.0796  0.000000       2.079618  
1 1 1 2   42  32 o 39.205  10.026  1124.39    427.434  0.0000     0.0000   1124.39    427.434  ?       ?       39.205  10.026  0.000000       10.02634  
1 1 1 2   42  33 o 18.484  8.5472  -66.1960   402.910  0.0000     0.0000   -66.1960   402.910  ?       ?       18.484  8.5472  0.000000       8.547182  
1 1 1 2   42  34 o 24.749  10.086  457.879    426.027  0.0000     0.0000   457.879    426.027  ?       ?       24.749  10.086  0.000000       10.08630  
1 1 1 2   43  0  o 250.956 5.2447  34128.79   1425.57  36276.94   2471.57  33057.84   1745.11  258.578 8.8249  246.943 6.5246  11.63528       10.97498  
1 1 1 2   43  1  o 211.538 4.5683  24245.74   1046.67  23738.46   1807.10  24501.83   1283.97  209.206 7.9752  212.626 5.5753  -3.420456      9.730723  
1 1 1 2   43  2  o 269.084 5.4989  39241.01   1602.63  40705.46   2774.04  38507.36   1963.44  273.865 9.3521  266.503 6.8021  7.361084       11.56417  
1 1 1 2   43  3  o 256.268 5.2181  35590.61   1448.36  37051.47   1774.36  32673.71   2507.25  261.434 6.2663  245.346 9.4351  16.08801       11.32644  
1 1 1 2   43  4  o 499.827 9.6078  135637.91  5201.34  136595.70  6370.85  133723.09  9007.49  501.276 11.734  494.997 16.801  6.279083       20.49286  
1 1 1 2   43  5  o 317.547 6.3998  54674.21   2201.12  55111.73   2696.14  53799.81   3811.54  318.720 7.8102  314.606 11.186  4.114655       13.64255  
1 1 1 2   43  6  f 412.338 9.8872  92369.19   4415.67  93780.45   6246.72  90959.74   6242.68  414.833 13.903  408.508 14.109  6.324463       19.80811  
1 1 1 2   43  7  o 270.902 6.8720  39811.60   2016.35  39835.07   2854.02  39788.21   2849.10  270.749 9.7324  270.591 9.7213  0.1582031      13.75584  
1 1 1 2   43  8  o 60.298  3.2240  1975.46    209.793  1859.33    380.964  2026.01    251.337  58.229  6.1327  61.027  3.8217  -2.797939      7.226071  
1 1 1 2   43  9  o 254.110 4.6263  35003.00   1273.29  33865.61   1800.79  36140.17   1800.62  249.817 6.6553  258.087 6.4415  -8.269485      9.262102  
1 1 1 2   43  10 o 388.426 6.6359  81885.63   2791.77  81087.02   3949.04  82683.52   3947.28  386.095 9.4434  389.894 9.3472  -3.799774      13.28710  
1 1 1 2   43  11 o 357.785 6.1458  69468.30   2381.61  71285.62   3370.04  67655.16   3366.16  362.075 8.5934  352.698 8.8117  9.377167       12.30828  
1 1 1 2   43  12 o 169.577 4.0217  15588.35   738.660  16071.54   1283.37  15348.99   903.276  172.021 6.8881  168.227 4.9574  3.794342       8.486577  
1 1 1 2   43  13 o 281.464 5.7864  42998.40   1763.99  42665.65   3056.60  43164.56   2159.99  279.738 10.088  281.852 7.0756  -2.113556      12.32223  
1 1 1 2   43  14 o 179.415 3.8732  17451.35   752.660  17697.93   1431.39  17357.12   884.866  180.426 7.3247  178.892 4.5668  1.533981       8.631735  
1 1 1 2   43  15 o 63.636  2.2714  2193.92    156.558  1955.38    390.942  2239.48    170.856  59.689  6.1344  64.291  2.4536  -4.602234      6.606913  
1 1 1 2   43  16 o 88.733  2.9425  4267.20    282.795  4413.15    548.033  4214.23    330.145  89.968  5.6528  88.167  3.4572  1.800766       6.626164  
1 1 1 2   43  17 o 164.571 3.4539  14685.12   615.649  13797.30   1225.50  14984.81   712.017  159.206 7.1069  166.211 3.9551  -7.004272      8.133355  
1 1 1 2   43  18 f 106.051 2.9738  6097.32    341.586  5765.48    670.693  6213.54    396.923  102.775 6.0519  107.038 3.4237  -4.263596      6.953182  
1 1 1 2   43  19 o 126.403 3.1735  8666.07    434.477  8628.35    850.880  8679.37    505.319  125.851 6.2422  126.466 3.6891  -0.6148376     7.250877  
1 1 1 2   43  20 o 91.151  2.9936  4507.72    295.547  4573.96    584.239  4484.94    342.618  91.388  5.9346  90.892  3.4803  0.4958420      6.879805  
1 1 1 2   43  21 o 24.978  6.0276  354.771    161.204  485.893    311.794  306.933    188.328  29.527  8.9634  23.472  6.9301  6.055067       11.32994  
1 1 1 2   43  22 o 92.311  2.8412  4628.33    284.066  4472.75    476.434  4714.14    353.840  90.360  4.8862  93.092  3.5093  -2.732040      6.015881  
1 1 1 2   43  23 o 48.500  1.8671  1275.90    98.081   1395.94    147.067  1179.74    131.629  50.616  2.6923  46.528  2.6227  4.088551       3.758553  
1 1 1 2   43  24 o 77.089  3.3549  3238.16    280.113  3326.81    554.185  3207.74    324.635  77.164  6.6973  76.540  3.9292  0.6235352      7.764808  
1 1 1 2   43  25 o 94.417  3.2445  4861.66    331.792  4989.08    656.012  4817.87    384.612  94.478  6.4493  93.874  3.7828  0.6045532      7.476817  
1 1 1 2   43  26 o 27.880  2.8646  428.142    85.274   889.768    434.718  409.668    86.963   38.239  10.276  27.244  2.9967  10.99496       10.70404  
1 1 1 2   43  27 o 77.166  3.4964  3263.92    292.220  2930.18    571.336  3382.16    340.067  71.255  7.5164  78.301  4.0234  -7.046120      8.525515  
1 1 1 2   43  28 o 88.075  2.6903  4237.27    256.641  4339.39    442.918  4185.66    314.889  88.269  4.6492  87.339  3.3287  0.9305725      5.718007  
1 1 1 2   43  29 o 28.586  7.5173  496.454    235.847  498.026    433.688  495.794    281.037  29.107  10.604  28.426  8.4831  0.6815300      13.57961  
1 1 1 2   43  30 o 58.176  4.0073  1902.47    250.964  1778.22    511.333  1941.90    288.044  52.278  9.3749  58.451  4.5867  -6.172657      10.43676  
1 1 1 2   43  31 o 21.505  8.8033  213.083    326.363  0.0000     0.0000   213.083    326.363  ?       ?       21.505  8.8033  0.000000       8.803338  
1 1 1 2   43  32 o 28.087  10.093  578.293    391.100  0.0000     0.0000   578.293    391.100  ?       ?       28.087  10.093  0.000000       10.09289  
1 1 1 2   43  33 o 21.118  9.2730  172.815    408.164  0.0000     0.0000   172.815    408.164  ?       ?       21.118  9.2730  0.000000       9.272995  
1 1 1 2   43  34 o 15.323  2.1943  132.090    35.378   0.0000     0.0000   132.090    35.378   ?       ?       15.323  2.1943  0.000000       2.194307  
1 1 1 2   44  0  o 475.752 9.1292  122838.80  4704.16  116750.30  8146.79  125884.20  5761.76  462.735 16.255  481.373 11.051  -18.63800      19.65571  
1 1 1 2   44  1  o 240.949 5.0159  31461.18   1309.01  31239.06   2264.66  31572.63   1604.13  239.938 8.7143  241.336 6.1369  -1.397980      10.65837  
1 1 1 2   44  2  o 182.012 5.1049  17953.37   1006.38  16675.99   1423.04  19231.44   1423.43  175.347 7.4928  188.322 6.9785  -12.97530      10.23925  
1 1 1 2   44  3  o 256.864 5.3740  35760.04   1495.12  35764.22   1832.07  35751.71   2586.98  256.827 6.5861  256.627 9.3072  0.2001648      11.40184  
1 1 1 2   44  4  o 476.022 9.2646  123027.00  4776.67  122595.60  5850.18  123889.60  8273.48  474.881 11.374  476.482 16.031  -1.600922      19.65641  
1 1 1 2   44  5  o 527.598 12.421  151493.20  7097.70  156441.20  10039.75 146549.41  10035.59 534.898 17.329  517.544 17.903  17.35333       24.91630  
1 1 1 2   44  6  o 267.617 6.8508  38849.66   1985.76  36121.34   2810.35  41569.96   2806.22  257.802 10.065  276.630 9.3660  -18.82712      13.74849  
1 1 1 2   44  7  o 298.540 6.0158  48334.64   1945.20  50669.88   3373.49  47171.48   2380.85  305.263 10.203  294.815 7.4561  10.44849       12.63719  
1 1 1 2   44  8  o 371.852 6.3518  75013.77   2558.21  72934.52   3618.26  77092.08   3617.44  366.322 9.1194  376.656 8.8672  -10.33319      12.71969  
1 1 1 2   44  9  o 66.150  2.8240  2370.64    202.330  2417.60    300.058  2331.48    273.991  66.656  4.1773  65.476  3.8808  1.180695       5.701796  
1 1 1 2   44  10 o 240.443 4.7034  31344.51   1224.89  30539.23   1623.18  32409.62   1866.76  237.226 6.3174  244.320 7.0544  -7.094467      9.469606  
1 1 1 2   44  11 o 198.789 4.1478  21421.88   893.066  21708.17   1197.20  21062.70   1340.96  200.036 5.5257  196.989 6.2850  3.047287       8.368656  
1 1 1 2   44  12 o 50.168  3.8257  1372.17    206.312  1765.36    359.845  1179.63    251.808  56.723  5.9455  46.355  5.0997  10.36829       7.833000  
1 1 1 2   44  13 o 371.556 8.2278  75108.91   3311.15  77570.34   5178.82  73407.02   4306.31  376.399 12.703  366.701 10.842  9.697266       16.70111  
1 1 1 2   44  14 f 307.846 5.3915  51432.95   1797.69  52299.64   3598.35  51144.68   2075.22  309.444 10.736  306.870 6.2437  2.574615       12.41973  
1 1 1 2   44  15 o 57.699  3.3166  1810.51    206.399  2036.49    392.853  1724.34    242.575  60.937  6.0314  56.249  4.0078  4.688236       7.241580  
1 1 1 2   44  16 o 131.377 3.2201  9356.09    458.201  8912.43    883.358  9519.40    535.937  128.046 6.3694  132.497 3.7345  -4.450638      7.383520  
1 1 1 2   44  17 o 138.093 3.1657  10338.13   473.486  9335.34    934.156  10684.83   549.270  130.829 6.6139  140.367 3.6128  -9.538757      7.536341  
1 1 1 2   44  18 o 168.446 3.5170  15390.29   641.656  14498.25   1268.31  15697.15   743.875  163.085 7.1803  170.074 4.0382  -6.989746      8.237982  
1 1 1 2   44  19 o 214.760 4.0900  25045.36   951.371  24118.13   1895.91  25357.43   1099.88  209.849 8.3414  216.000 4.7013  -6.150635      9.575049  
1 1 1 2   44  20 f 153.802 3.3396  12841.63   556.318  10938.98   1098.89  13497.31   645.092  141.148 7.2121  157.626 3.7785  -16.47824      8.141970  
1 1 1 2   44  21 o 102.088 2.9482  5658.30    325.991  5655.82    651.195  5659.13    376.574  101.504 5.9492  102.052 3.4069  -0.5479050     6.855618  
1 1 1 2   44  22 o 34.199  6.0182  660.333    214.783  860.293    410.322  584.866    252.076  38.432  9.8208  31.908  7.4322  6.524548       12.31607  
1 1 1 2   44  23 o 30.682  6.2848  537.420    201.832  950.819    403.177  399.175    233.150  40.312  9.4060  26.491  7.6794  13.82030       12.14272  
1 1 1 2   44  24 o 47.572  4.4309  1249.68    225.677  634.689    444.380  1463.42    261.975  33.355  10.787  51.441  4.7558  -18.08609      11.78849  
1 1 1 2   44  25 o 46.596  2.1809  1179.67    110.068  1270.22    445.502  1173.78    113.590  46.402  9.1894  46.475  2.2566  -0.7295990E-01 9.462418  
1 1 1 2   44  26 o 79.579  3.4098  3463.13    293.902  3493.26    580.649  3452.75    340.780  78.492  6.9000  79.225  3.9841  -0.7321091     7.967638  
1 1 1 2   44  27 o 26.058  1.4551  369.666    40.904   469.703    412.815  368.675    41.106   29.106  10.379  26.022  1.4644  3.083719       10.48158  
1 1 1 2   44  28 o 33.567  6.5890  661.360    231.000  838.818    438.060  593.007    271.873  36.389  10.520  31.320  7.9890  5.068789       13.20950  
1 1 1 2   44  29 o 34.618  6.4421  708.383    232.661  420.121    446.424  815.876    272.611  27.766  10.626  36.923  7.0742  -9.157709      12.76583  
1 1 1 2   44  30 o 49.508  4.9844  1412.15    263.640  1228.26    489.783  1487.17    312.827  41.800  10.756  50.263  5.8561  -8.463093      12.24674  
1 1 1 2   44  31 o 47.634  7.9198  1456.54    394.250  0.0000     0.0000   1456.54    394.250  ?       ?       47.634  7.9198  0.000000       7.919767  
1 1 1 2   44  32 o 48.538  2.8384  1312.92    148.572  0.0000     0.0000   1312.92    148.572  ?       ?       48.538  2.8384  0.000000       2.838427  
1 1 1 2   44  33 o 30.130  10.085  720.675    387.221  0.0000     0.0000   720.675    387.221  ?       ?       30.130  10.085  0.000000       10.08506  
1 1 1 2   45  0  o 501.686 9.6658  136658.50  5252.19  131193.70  9096.26  139391.70  6432.88  490.187 17.133  506.366 11.729  -16.17929      20.76322  
1 1 1 2   45  1  o 336.849 8.2508  61566.64   3010.24  59446.23   4257.07  63687.14   4257.17  330.656 11.887  342.293 11.483  -11.63687      16.52736  
1 1 1 2   45  2  o 349.845 7.6676  66394.63   2905.41  68151.27   3777.90  63851.62   4545.51  354.248 9.8463  342.628 12.249  11.61981       15.71559  
1 1 1 2   45  3  o 242.807 6.3071  31965.84   1658.68  31965.84   1658.68  0.0000     0.0000   242.807 6.3071  ?       ?       0.000000       6.307124  
1 1 1 2   45  4  o 304.374 7.5711  50264.16   2495.96  51586.78   3530.33  48942.30   3529.32  308.082 10.580  300.053 10.860  8.029358       15.16143  
1 1 1 2   45  5  o 162.440 4.7992  14301.32   844.363  14481.17   1199.20  14124.48   1189.09  163.393 6.7762  161.367 6.8034  2.025894       9.602254  
1 1 1 2   45  6  o 215.248 4.7025  25112.11   1096.33  24740.58   1903.41  25296.56   1341.13  213.465 8.2326  215.993 5.7327  -2.528198      10.03194  
1 1 1 2   45  7  o 153.681 3.2426  12795.88   539.732  12960.54   764.887  12632.58   761.716  154.633 4.5669  152.663 4.6067  1.970154       6.486798  
1 1 1 2   45  8  o 248.383 4.9285  33447.54   1325.89  32969.99   1754.79  34082.91   2024.10  246.497 6.5727  250.552 7.4587  -4.054886      9.941471  
1 1 1 2   45  9  o 64.195  2.8038  2232.62    194.949  2483.01    284.755  2011.73    267.456  67.574  3.9073  60.787  4.0861  6.787590       5.653573  
1 1 1 2   45  10 o 138.840 3.1562  10444.86   474.618  10301.24   674.520  10585.69   667.952  137.843 4.5179  139.737 4.4133  -1.893707      6.315778  
1 1 1 2   45  11 o 139.256 3.0928  10507.92   466.482  10859.73   668.747  10174.52   651.019  141.529 4.3626  136.990 4.3877  4.538605       6.187428  
1 1 1 2   45  12 o 219.040 4.7427  26020.56   1125.17  27253.71   1951.41  25406.42   1377.14  223.864 8.0481  216.355 5.8768  7.509186       9.965379  
1 1 1 2   45  13 o 109.432 3.3941  6490.54    402.296  6827.34    725.964  6341.27    483.289  111.980 6.0075  108.146 4.1260  3.834023       7.287889  
1 1 1 2   45  14 o 291.680 5.1972  46167.88   1641.89  45102.64   3285.42  46522.49   1895.58  287.380 10.555  292.701 5.9793  -5.320740      12.13104  
1 1 1 2   45  15 o 275.627 4.9322  41225.73   1472.41  40781.19   2947.31  41373.57   1699.72  273.284 9.9573  276.029 5.6853  -2.745087      11.46606  
1 1 1 2   45  16 f 344.070 5.9378  64329.33   2212.81  58400.79   4423.13  66308.48   2555.61  325.930 12.530  349.148 6.7580  -23.21820      14.23586  
1 1 1 2   45  17 o 122.037 3.1005  8073.88    409.814  7959.34    801.307  8114.46    476.903  120.826 6.1433  122.321 3.5997  -1.493973      7.120201  
1 1 1 2   45  18 o 56.678  2.4176  1741.08    148.410  1694.74    182.266  1832.26    255.654  55.825  3.0257  57.957  4.0991  -2.131798      5.094886  
1 1 1 2   45  19 o 145.069 3.3413  11419.05   525.006  10818.63   1009.00  11641.96   614.783  140.806 6.6161  146.429 3.8764  -5.622940      7.668029  
1 1 1 2   45  20 o 186.057 3.8835  18812.87   782.592  16966.47   1479.26  19530.51   922.220  175.769 7.7702  189.460 4.4941  -13.69078      8.976268  
1 1 1 2   45  21 o 81.549  2.6279  3609.22    232.109  3788.24    511.309  3562.75    260.497  83.024  5.7209  80.999  2.9693  2.025780       6.445590  
1 1 1 2   45  22 o 52.299  2.3521  1484.49    133.231  1870.17    457.691  1448.78    139.262  57.670  7.5053  51.659  2.4890  6.011230       7.907201  
1 1 1 2   45  23 o 85.783  2.7932  4000.10    259.522  4157.79    597.650  3963.45    288.102  86.541  6.4219  85.350  3.1165  1.191734       7.138148  
1 1 1 2   45  24 o 80.371  3.2415  3520.16    282.171  3855.55    575.003  3413.77    323.845  83.121  6.4371  79.058  3.7820  4.063248       7.465893  
1 1 1 2   45  25 o 52.070  4.0438  1493.95    226.272  1602.08    465.324  1460.47    258.949  52.509  8.4701  51.323  4.7109  1.185715       9.692058  
1 1 1 2   45  26 o 48.191  2.2717  1263.31    118.572  1268.14    458.410  1262.96    122.749  45.904  9.5318  48.176  2.3524  -2.271908      9.817764  
1 1 1 2   45  27 f 44.958  4.8736  1134.03    233.513  1014.95    457.188  1176.06    271.614  40.310  10.402  45.538  5.6266  -5.227962      11.82617  
1 1 1 2   45  28 f 28.851  1.9905  455.106    61.821   485.468    431.212  454.469    62.467   29.243  10.586  28.828  2.0133  0.4150276      10.77545  
1 1 1 2   45  29 o 22.631  7.8225  289.711    233.251  51.879     428.500  389.857    278.056  22.032  9.5919  25.570  8.5461  -3.537567      12.84679  
1 1 1 2   45  30 o 29.576  8.2647  568.736    274.991  0.0000     0.0000   568.736    274.991  ?       ?       29.576  8.2647  0.000000       8.264691  
1 1 1 2   45  31 o 24.845  9.2694  392.774    334.763  0.0000     0.0000   392.774    334.763  ?       ?       24.845  9.2694  0.000000       9.269439  
1 1 1 2   45  32 o 20.199  8.7859  127.057    358.884  0.0000     0.0000   127.057    358.884  ?       ?       20.199  8.7859  0.000000       8.785857  
1 1 1 2   45  33 o 28.200  10.398  645.489    418.849  0.0000     0.0000   645.489    418.849  ?       ?       28.200  10.398  0.000000       10.39839  
1 1 1 2   46  0  f 347.177 8.4847  65416.83   3190.48  64842.95   4513.24  65990.09   4510.81  345.267 12.069  348.322 11.957  -3.054871      16.98862  
1 1 1 2   46  1  o 121.163 3.4161  7953.05    448.303  7747.98    551.209  8353.75    770.499  119.579 4.2559  124.137 5.7306  -4.558548      7.138105  
1 1 1 2   46  2  o 137.371 4.4168  10225.78   657.156  10225.78   657.156  0.0000     0.0000   137.371 4.4168  ?       ?       0.000000       4.416760  
1 1 1 2   46  3  o 302.067 7.5277  49506.07   2462.85  49509.75   3482.30  49502.40   3483.68  301.796 10.653  301.773 10.658  0.2291870E-01  15.06956  
1 1 1 2   46  4  o 341.459 8.3416  63295.54   3085.00  59032.66   4361.99  67561.80   4363.71  329.300 12.230  352.403 11.433  -23.10242      16.74144  
1 1 1 2   46  5  o 683.820 12.997  254844.30  9625.87  264419.41  16675.33 250059.20  11788.23 692.348 22.237  676.232 16.095  16.11633       27.45051  
1 1 1 2   46  6  o 352.191 6.0517  67273.81   2308.49  68159.05   3265.35  66389.29   3264.04  354.242 8.5106  349.600 8.6201  4.642548       12.11349  
1 1 1 2   46  7  f 527.321 9.4162  151178.50  5377.99  153238.20  7032.96  148278.20  8345.67  530.184 12.247  520.745 14.797  9.439453       19.20782  
1 1 1 2   46  8  o 164.083 3.3887  14588.28   602.234  14839.94   854.500  14339.90   848.903  165.448 4.7685  162.635 4.8192  2.813202       6.779604  
1 1 1 2   46  9  o 67.478  2.8570  2466.90    208.809  2183.42    298.720  2737.77    291.996  63.314  4.3830  70.973  3.8125  -7.658638      5.809134  
1 1 1 2   46  10 o 133.370 3.1047  9638.11    448.479  9017.94    637.141  10247.13   631.389  128.967 4.5613  137.486 4.2400  -8.519775      6.227609  
1 1 1 2   46  11 o 70.923  2.5364  2725.09    194.838  2842.51    327.611  2660.83    242.357  72.288  4.2024  70.073  3.1932  2.214348       5.278007  
1 1 1 2   46  12 o 142.090 4.5032  10948.35   693.027  10735.64   979.535  11161.54   980.642  140.605 6.4321  143.374 6.3150  -2.768921      9.013896  
1 1 1 2   46  13 o 253.153 7.5246  34846.80   2063.17  35017.66   2529.15  34506.92   3567.06  253.518 9.2108  250.536 13.192  2.982712       16.08916  
1 1 1 2   46  14 o 252.848 4.6085  34679.24   1262.08  34343.64   2526.38  34790.84   1456.91  250.992 9.2932  253.186 5.3128  -2.193924      10.70467  
1 1 1 2   46  15 f 106.332 2.9470  6127.68    339.402  6645.96    688.052  5961.01    390.175  110.470 5.7706  104.862 3.4354  5.607948       6.715740  
1 1 1 2   46  16 o 135.562 3.2204  9962.41    472.841  9701.93    926.353  10054.19   549.868  133.577 6.4029  136.162 3.7285  -2.585205      7.409362  
1 1 1 2   46  17 o 110.909 3.0095  6668.59    361.514  6663.67    708.135  6670.32    420.430  110.541 5.9363  110.903 3.5001  -0.3613052     6.891305  
1 1 1 2   46  18 o 87.660  2.7624  4165.96    262.273  3982.09    542.170  4222.13    299.670  85.336  5.9021  88.235  3.1357  -2.898743      6.683401  
1 1 1 2   46  19 o 135.847 3.1935  10013.13   469.886  9555.73    920.884  10174.14   546.365  132.323 6.4254  136.891 3.6850  -4.568253      7.407073  
1 1 1 2   46  20 o 144.299 3.2022  11304.97   500.473  10287.93   971.913  11671.96   583.826  137.104 6.5450  146.563 3.6778  -9.459061      7.507507  
1 1 1 2   46  21 o 19.250  6.4254  192.266    157.178  304.985    437.467  175.559    168.424  27.527  10.523  18.964  6.6419  8.562849       12.44390  
1 1 1 2   46  22 o 113.558 3.1035  7011.60    381.721  7493.35    782.339  6861.07    437.308  116.534 6.2208  112.255 3.5968  4.278885       7.185749  
1 1 1 2   46  23 o 96.306  3.1854  5048.30    332.264  4303.03    662.765  5298.49    384.007  87.799  7.0284  98.595  3.5960  -10.79599      7.894903  
1 1 1 2   46  24 o 115.493 3.1205  7267.02    390.350  7272.56    802.228  7265.31    446.812  114.227 6.5112  115.372 3.5756  -1.144371      7.428373  
1 1 1 2   46  25 o 112.545 3.2260  6911.73    393.243  6761.02    782.218  6962.70    454.908  109.815 6.6073  112.818 3.7228  -3.003395      7.583928  
1 1 1 2   46  26 o 19.149  7.1929  161.720    202.251  144.208    400.652  167.708    234.294  23.478  9.6984  20.077  7.6949  3.400717       12.38027  
1 1 1 2   46  27 o 46.714  2.2690  1188.38    114.800  1024.42    460.178  1199.26    118.548  40.418  10.439  46.919  2.3328  -6.501858      10.69632  
1 1 1 2   46  28 o 37.710  5.8564  819.946    231.439  811.104    445.263  823.219    270.910  35.658  10.686  37.351  6.9524  -1.693184      12.74863  
1 1 1 2   46  29 o 29.621  7.2268  536.256    229.797  578.346    441.130  520.581    269.209  30.223  10.734  28.888  8.2144  1.334137       13.51643  
1 1 1 2   46  30 o 39.958  2.6907  883.666    115.772  0.0000     0.0000   883.666    115.772  ?       ?       39.958  2.6907  0.000000       2.690683  
1 1 1 2   46  31 o 18.729  8.3784  -0.6001    348.883  0.0000     0.0000   -0.6001    348.883  ?       ?       18.729  8.3784  0.000000       8.378433  
1 1 1 2   46  32 o 15.372  7.2923  -242.3198  326.743  0.0000     0.0000   -242.3198  326.743  ?       ?       15.372  7.2923  0.000000       7.292297  
1 1 1 2   46  33 o 22.109  9.5076  258.532    410.763  0.0000     0.0000   258.532    410.763  ?       ?       22.109  9.5076  0.000000       9.507577  
1 1 1 2   47  0  o 433.252 9.3701  101948.50  4397.01  103600.00  5731.85  99586.92   6854.20  436.321 12.129  427.279 14.811  9.041901       19.14327  
1 1 1 2   47  1  o 181.983 5.1473  17950.86   1014.57  17950.86   1014.57  0.0000     0.0000   181.983 5.1473  ?       ?       0.000000       5.147329  
1 1 1 2   47  2  o 82.444  3.8773  3682.84    346.225  4191.93    491.307  3180.63    487.981  87.787  5.1902  76.360  5.9471  11.42702       7.893482  
1 1 1 2   47  3  o 637.794 14.945  222055.30  10323.83 229602.80  14601.68 214511.00  14598.52 646.114 20.865  624.178 21.594  21.93585       30.02753  
1 1 1 2   47  4  o 833.814 28.112  387768.31  25387.78 387768.31  25387.78 0.0000     0.0000   833.814 28.112  ?       ?       0.000000       28.11158  
1 1 1 2   47  5  o 616.247 10.177  206521.09  6792.67  210606.30  9607.13  202437.41  9605.45  621.057 14.282  608.793 14.567  12.26416       20.40058  
1 1 1 2   47  6  o 358.056 6.1240  69541.89   2374.96  70598.05   3359.44  68486.65   3357.96  360.479 8.6043  355.031 8.7325  5.448456       12.25932  
1 1 1 2   47  7  o 273.401 4.8379  40523.66   1432.60  40529.79   2026.34  40517.54   2025.66  273.273 6.8461  273.232 6.8449  0.4116821E-01  9.681001  
1 1 1 2   47  8  o 291.263 5.1563  46002.40   1626.64  45380.07   2301.43  46623.62   2299.40  289.090 7.3501  293.035 7.2448  -3.945343      10.32041  
1 1 1 2   47  9  o 318.847 5.5487  55147.82   1916.21  55610.10   2711.18  54686.39   2708.68  319.918 7.8244  317.242 7.8831  2.675995       11.10692  
1 1 1 2   47  10 o 101.268 2.8816  5556.42    316.062  5478.13    453.831  5630.15    440.427  100.525 4.1682  101.915 3.9899  -1.389595      5.770052  
1 1 1 2   47  11 o 265.286 5.5152  38185.92   1584.69  37713.42   2746.07  38421.84   1940.37  263.121 9.6358  265.978 6.7355  -2.857147      11.75646  
1 1 1 2   47  12 o 178.986 5.1078  17379.85   990.201  17219.12   1400.46  17540.54   1400.26  177.996 7.2642  179.656 7.1961  -1.659592      10.22510  
1 1 1 2   47  13 o 227.183 4.8738  27999.19   1199.27  29627.25   2081.50  27190.20   1467.28  233.319 8.2367  223.771 6.0539  9.547745       10.22223  
1 1 1 2   47  14 o 213.705 4.0636  24765.39   940.581  24348.40   1883.65  24903.89   1085.61  211.467 8.2241  214.256 4.6781  -2.789520      9.461542  
1 1 1 2   47  15 o 77.417  2.9731  3248.30    249.298  3598.06    503.192  3134.53    286.997  81.186  5.7598  76.037  3.4848  5.148712       6.731985  
1 1 1 2   47  16 o 186.518 3.7448  18867.00   756.525  18204.48   1512.46  19088.06   873.673  182.801 7.6390  187.565 4.3006  -4.763687      8.766374  
1 1 1 2   47  17 o 114.026 2.9662  7048.85    366.328  6546.16    731.679  7217.01    423.188  109.514 6.1939  115.359 3.3870  -5.845505      7.059476  
1 1 1 2   47  18 o 131.492 3.1246  9377.65    445.011  7952.45    870.279  9882.23    517.830  120.582 6.6898  134.955 3.5427  -14.37207      7.569902  
1 1 1 2   47  19 o 180.888 3.6583  17768.07   716.728  16498.15   1420.23  18202.01   830.198  173.537 7.5561  183.007 4.1884  -9.469528      8.639262  
1 1 1 2   47  20 o 63.333  2.4378  2175.63    167.221  1747.62    404.410  2263.91    183.657  56.067  6.7986  64.597  2.6250  -8.529873      7.287775  
1 1 1 2   47  21 o 87.506  2.7387  4157.82    259.572  4737.88    635.945  4041.86    284.335  92.664  6.3751  86.251  3.0437  6.412743       7.064447  
1 1 1 2   47  22 o 20.727  1.4911  234.081    33.251   405.359    435.083  233.075    33.349   29.085  10.617  20.681  1.4989  8.403265       10.72235  
1 1 1 2   47  23 o 19.861  7.1274  188.062    194.974  368.106    414.153  136.797    220.995  27.953  10.334  19.228  7.4457  8.724854       12.73658  
1 1 1 2   47  24 o 96.702  3.2039  5097.07    335.571  4915.37    669.368  5158.07    387.828  93.761  6.6342  97.178  3.6847  -3.417625      7.588759  
1 1 1 2   47  25 o 34.593  5.9328  682.614    214.288  1299.61    427.108  475.058    247.723  47.012  8.7087  28.493  7.7994  18.51910       11.69066  
1 1 1 2   47  26 o 47.613  1.9538  1232.04    100.759  1299.54    109.234  846.977    260.897  48.890  2.0629  38.326  6.5184  10.56379       6.837042  
1 1 1 2   47  27 o 20.090  7.3288  197.756    207.266  54.829     411.324  246.399    239.958  22.223  9.5341  21.946  7.9036  0.2778931      12.38414  
1 1 1 2   47  28 o 40.794  5.6791  955.285    244.118  808.897    454.938  1014.48    289.294  35.469  10.840  41.653  6.6351  -6.184223      12.70963  
1 1 1 2   47  29 o 34.018  6.8413  699.690    243.332  421.720    452.361  812.869    288.650  27.375  10.638  36.337  7.5794  -8.962255      13.06194  
1 1 1 2   47  30 o 20.323  8.0831  194.294    266.475  0.0000     0.0000   194.294    266.475  ?       ?       20.323  8.0831  0.000000       8.083143  
1 1 1 2   47  31 o 21.727  9.0669  212.817    355.308  0.0000     0.0000   212.817    355.308  ?       ?       21.727  9.0669  0.000000       9.066909  
1 1 1 2   47  32 o 26.566  9.7842  514.292    370.670  0.0000     0.0000   514.292    370.670  ?       ?       26.566  9.7842  0.000000       9.784160  
1 1 1 2   47  33 o 17.246  7.9804  -83.7967   352.179  0.0000     0.0000   -83.7967   352.179  ?       ?       17.246  7.9804  0.000000       7.980378  
1 1 1 2   48  0  o 382.684 9.2418  79551.77   3830.61  79551.77   3830.61  0.0000     0.0000   382.684 9.2418  ?       ?       0.000000       9.241830  
1 1 1 2   48  1  o 708.224 16.500  274315.09  12657.14 291222.59  17901.69 257414.50  17898.10 726.531 22.749  682.219 24.222  44.31165       33.23022  
1 1 1 2   48  2  o 309.307 7.6722  51924.10   2570.28  52726.68   3636.19  51122.63   3633.67  311.357 10.782  306.565 10.943  4.792480       15.36293  
1 1 1 2   48  3  o 215.314 6.4839  25147.30   1512.10  24111.04   2549.53  25709.61   1878.07  210.193 11.240  217.618 7.9680  -7.424637      13.77733  
1 1 1 2   48  4  o 349.946 5.8886  66413.27   2231.95  68073.98   3157.42  64754.59   3155.49  354.056 8.2336  345.292 8.4374  8.763855       11.78906  
1 1 1 2   48  5  o 451.519 7.5356  110675.50  3685.22  112001.90  5212.80  109350.20  5210.56  453.675 10.609  448.247 10.732  5.428040       15.09060  
1 1 1 2   48  6  o 160.659 3.3276  13985.20   579.041  13586.05   820.547  14381.13   817.239  158.307 4.7856  162.879 4.6325  -4.571686      6.660439  
1 1 1 2   48  7  o 81.204  2.7192  3572.32    239.162  3467.01    344.442  3670.36    332.334  79.982  3.9761  82.298  3.7283  -2.315964      5.450661  
1 1 1 2   48  8  o 89.391  2.7048  4329.07    261.879  4379.22    376.629  4282.13    364.380  89.890  3.8684  88.889  3.7847  1.000572       5.411931  
1 1 1 2   48  9  o 196.529 3.8073  20933.84   810.438  20769.99   1148.31  21096.45   1143.97  195.677 5.4181  197.212 5.3556  -1.535568      7.618324  
1 1 1 2   48  10 o 264.493 4.7436  37936.53   1358.90  38377.50   1924.97  37498.47   1918.60  265.847 6.6853  262.779 6.7410  3.068176       9.493917  
1 1 1 2   48  11 o 288.149 5.9087  45066.69   1844.08  45590.07   3195.77  44805.43   2257.92  289.170 10.204  287.147 7.2600  2.023438       12.52276  
1 1 1 2   48  12 o 173.329 4.1837  16289.62   785.416  15641.59   967.243  17544.03   1345.73  169.786 5.2597  179.690 6.9146  -9.903366      8.687676  
1 1 1 2   48  13 o 23.252  6.1374  304.144    156.830  170.852    299.203  354.638    184.155  22.343  8.6603  25.108  6.6618  -2.764597      10.92614  
1 1 1 2   48  14 o 81.499  2.8998  3599.58    255.971  3644.27    526.700  3585.77    292.885  81.693  5.9945  81.334  3.3247  0.3589706      6.854742  
1 1 1 2   48  15 f 131.593 3.1138  9386.48    443.800  10037.56   896.280  9174.99    510.817  135.905 6.0889  130.081 3.6256  5.824081       7.086585  
1 1 1 2   48  16 o 226.062 4.4550  27734.93   1090.80  26669.38   2051.61  28154.84   1287.92  221.040 8.5695  227.676 5.2227  -6.636154      10.03560  
1 1 1 2   48  17 o 222.598 4.2066  26895.88   1014.19  27241.28   2029.16  26780.87   1170.94  223.258 8.3915  222.035 4.8690  1.223358       9.701758  
1 1 1 2   48  18 o 180.299 3.8399  17647.67   749.876  16551.35   1415.81  18075.13   884.059  174.012 7.5120  182.391 4.4752  -8.378662      8.743971  
1 1 1 2   48  19 o 36.440  4.4044  732.537    170.306  941.521    308.204  640.678    204.335  40.877  7.2256  33.807  5.7886  7.070251       9.258370  
1 1 1 2   48  20 o 86.645  2.8959  4075.45    271.766  3209.68    525.354  4391.78    317.556  76.274  6.4189  89.916  3.2607  -13.64201      7.199668  
1 1 1 2   48  21 o 127.560 3.1182  8843.71    430.820  9965.65    895.638  8505.97    491.405  134.715 6.1383  125.021 3.6290  9.694221       7.130775  
1 1 1 2   48  22 o 90.984  3.0660  4502.00    302.140  4859.26    654.060  4405.08    340.666  93.630  6.4896  89.942  3.4970  3.687500       7.371864  
1 1 1 2   48  23 o 98.511  3.1355  5283.58    334.546  5618.51    701.200  5184.87    380.664  100.521 6.4749  97.503  3.6046  3.018494       7.410582  
1 1 1 2   48  24 f 66.341  2.6574  2394.39    190.945  2205.33    532.489  2422.28    204.548  62.041  8.1191  66.706  2.8311  -4.664436      8.598550  
1 1 1 2   48  25 o 60.683  3.6885  2022.79    241.281  2298.88    496.331  1937.35    276.101  63.442  7.3598  59.222  4.3345  4.219673       8.541392  
1 1 1 2   48  26 o 63.194  2.5073  2175.69    171.613  2338.58    211.660  1863.12    293.190  65.436  2.9864  57.863  4.7193  7.573215       5.584864  
1 1 1 2   48  27 o 41.479  4.9650  970.200    218.627  1154.13    451.251  913.782    249.917  43.115  9.8754  39.894  5.9672  3.221767       11.53823  
1 1 1 2   48  28 o 40.217  5.5213  927.744    234.161  211.323    455.395  1185.24    273.018  24.889  10.315  45.472  5.6664  -20.58313      11.76904  
1 1 1 2   48  29 o 29.031  7.5573  525.363    239.945  554.064    447.194  513.760    284.340  29.413  10.760  28.424  8.5443  0.9891739      13.73958  
1 1 1 2   48  30 o 14.526  7.0004  -387.2760  327.654  0.0000     0.0000   -387.2760  327.654  ?       ?       14.526  7.0004  0.000000       7.000370  
1 1 1 2   48  31 o 23.873  9.1496  352.923    331.244  0.0000     0.0000   352.923    331.244  ?       ?       23.873  9.1496  0.000000       9.149580  
1 1 1 2   48  32 o 18.799  8.2930  68.969     329.966  0.0000     0.0000   68.969     329.966  ?       ?       18.799  8.2930  0.000000       8.293037  
1 1 1 2   48  33 o 26.848  9.8787  556.457    377.738  0.0000     0.0000   556.457    377.738  ?       ?       26.848  9.8787  0.000000       9.878655  
1 1 1 2   49  0  o 82.176  3.8734  3659.21    344.754  3734.50    484.251  3581.82    490.929  82.817  5.4286  81.082  5.6249  1.734680       7.817259  
1 1 1 2   49  1  o 424.094 10.151  97794.15   4662.63  100781.60  6595.37  94809.27   6592.54  429.704 14.171  416.675 14.608  13.02832       20.35201  
1 1 1 2   49  2  o 496.508 11.767  134244.09  6328.00  137672.30  8950.63  130818.20  8947.65  501.480 16.479  488.700 16.904  12.78003       23.60744  
1 1 1 2   49  3  o 409.801 6.9173  91127.02   3070.30  89036.00   4342.12  93217.92   4342.00  404.652 9.9072  414.084 9.6812  -9.431763      13.85204  
1 1 1 2   49  4  o 421.220 7.0956  96294.42   3237.19  98036.68   4579.13  94553.75   4577.04  424.568 9.9579  416.926 10.136  7.642029       14.20888  
1 1 1 2   49  5  o 170.809 3.4812  15808.72   644.039  16186.39   913.417  15435.34   908.223  172.791 4.8806  168.732 4.9696  4.059662       6.965491  
1 1 1 2   49  6  o 99.168  2.7672  5327.70    297.217  5380.49    426.018  5277.64    414.861  99.639  3.9475  98.683  3.8814  0.9557266      5.536098  
1 1 1 2   49  7  o 195.151 3.7962  20639.32   802.388  20462.04   1136.67  20815.40   1132.84  194.238 5.4029  195.912 5.3387  -1.673370      7.595617  
1 1 1 2   49  8  o 63.587  2.7700  2190.55    190.769  1952.24    278.193  2402.08    262.102  59.855  4.3202  66.475  3.6544  -6.620182      5.658485  
1 1 1 2   49  9  o 137.672 3.0692  10270.02   457.662  10657.38   654.210  9898.75    640.472  140.208 4.3080  135.123 4.3762  5.084641       6.140878  
1 1 1 2   49  10 o 74.524  2.8401  3009.21    229.246  3387.78    341.047  2697.17    309.630  78.952  4.0013  70.418  4.0771  8.534134       5.712529  
1 1 1 2   49  11 o 29.348  5.4167  482.183    165.835  405.461    290.908  519.119    201.844  27.526  8.7092  30.357  6.3433  -2.831125      10.77441  
1 1 1 2   49  12 o 131.561 3.5832  9381.84    510.585  9841.81    632.012  8517.57    866.339  134.719 4.3314  125.065 6.4172  9.653313       7.742190  
1 1 1 2   49  13 o 136.078 3.2221  10036.03   474.897  10575.03   684.013  9534.43    659.851  139.630 4.5229  132.579 4.5952  7.051102       6.447657  
1 1 1 2   49  14 o 278.190 4.9837  42000.64   1501.63  41409.30   3005.81  42197.31   1733.45  275.314 10.080  278.743 5.7417  -3.428619      11.60060  
1 1 1 2   49  15 o 124.504 3.0499  8402.25    411.278  9365.45    833.140  8091.90    472.917  131.287 5.8590  122.162 3.5742  9.125282       6.863161  
1 1 1 2   49  16 o 130.608 3.1144  9248.34    440.567  9577.31    888.814  9141.18    507.271  132.694 6.1843  129.824 3.6076  2.869049       7.159610  
1 1 1 2   49  17 o 36.480  1.9571  723.158    77.048   463.504    355.534  735.954    78.924   29.595  9.6536  36.800  1.9875  -7.205416      9.856084  
1 1 1 2   49  18 o 19.050  6.3656  186.353    154.265  24.198     278.004  258.498    185.434  18.931  7.9676  21.940  6.9546  -3.009972      10.57590  
1 1 1 2   49  19 o 121.936 3.0359  8069.35    400.947  7189.77    792.850  8371.58    464.754  114.497 6.4192  124.159 3.4560  -9.662033      7.290437  
1 1 1 2   49  20 o 118.906 3.0200  7678.30    388.942  6723.94    769.722  8005.53    450.716  110.539 6.4572  121.364 3.4288  -10.82559      7.311079  
1 1 1 2   49  21 o 30.958  1.5887  520.892    53.092   1096.00    441.717  512.462    53.479   43.410  9.6452  30.704  1.6138  12.70606       9.779321  
1 1 1 2   49  22 f 48.549  2.1121  1279.10    111.065  1742.44    480.892  1252.99    114.151  55.298  8.2841  48.047  2.1935  7.251122       8.569579  
1 1 1 2   49  23 o 43.643  4.7316  1056.46    220.079  930.149    479.190  1090.23    247.755  39.471  10.865  44.219  5.2773  -4.747803      12.07922  
1 1 1 2   49  24 o 124.551 3.2726  8461.60    441.484  8264.57    901.749  8523.71    506.315  121.436 6.8843  124.869 3.7437  -3.432823      7.836324  
1 1 1 2   49  25 o 136.893 3.3063  10239.00   490.224  11706.23   996.897  9771.04    562.999  144.656 6.3627  133.500 3.8936  11.15552       7.459543  
1 1 1 2   49  26 o 69.715  2.7220  2651.19    205.536  2692.85    272.818  2596.50    312.563  69.979  3.6118  68.518  4.2325  1.460655       5.564037  
1 1 1 2   49  27 o 62.061  3.8580  2129.35    258.044  1934.68    510.852  2196.03    298.992  56.953  8.5452  62.830  4.4218  -5.877449      9.621481  
1 1 1 2   49  28 f 43.262  5.3575  1069.77    245.666  927.797    463.919  1125.10    289.604  37.613  10.812  43.980  6.2561  -6.366871      12.49160  
1 1 1 2   49  29 o 62.116  4.0628  2169.82    271.831  1144.33    529.950  2535.97    316.661  39.794  11.590  66.967  4.3901  -27.17306      12.39350  
1 1 1 2   49  30 o 22.186  8.8431  251.535    319.584  0.0000     0.0000   251.535    319.584  ?       ?       22.186  8.8431  0.000000       8.843131  
1 1 1 2   49  31 o 26.152  9.6263  467.612    358.736  0.0000     0.0000   467.612    358.736  ?       ?       26.152  9.6263  0.000000       9.626316  
1 1 1 2   49  32 o 45.231  7.0472  1314.73    333.993  0.0000     0.0000   1314.73    333.993  ?       ?       45.231  7.0472  0.000000       7.047161  
1 1 1 2   49  33 o 19.009  8.3772  94.383     335.851  0.0000     0.0000   94.383     335.851  ?       ?       19.009  8.3772  0.000000       8.377192  
1 1 1 2   50  0  o 58.953  4.0543  1892.33    257.303  1928.89    358.366  1853.44    369.659  59.375  5.6403  58.156  5.9525  1.218391       8.200289  
1 1 1 2   50  1  o 163.969 3.8561  14569.07   684.823  16033.07   1191.60  13847.04   836.827  171.916 6.3994  159.826 4.8341  12.09064       8.020083  
1 1 1 2   50  2  o 168.348 3.4561  15355.91   630.171  15827.91   892.602  14886.87   889.798  170.874 4.8229  165.712 4.9575  5.162094       6.916493  
1 1 1 2   50  3  o 447.839 7.5165  108881.40  3645.91  101296.30  5155.85  116467.90  5156.33  431.345 11.036  462.681 10.289  -31.33569      15.08843  
1 1 1 2   50  4  o 221.395 4.1578  26565.41   997.018  26097.06   1411.69  27031.51   1408.31  219.346 5.9421  223.246 5.8243  -3.899475      8.320518  
1 1 1 2   50  5  o 356.826 6.0872  69073.30   2352.59  71314.51   3328.65  66836.36   3325.48  362.271 8.4833  350.674 8.7555  11.59735       12.19118  
1 1 1 2   50  6  o 47.830  3.0525  1244.55    157.312  1271.08    229.686  1221.10    215.898  48.219  4.4481  47.272  4.2626  0.9469109      6.160757  
1 1 1 2   50  7  o 52.769  2.8766  1513.13    163.789  1390.79    241.358  1617.57    222.995  50.453  4.4628  54.499  3.8016  -4.045803      5.862443  
1 1 1 2   50  8  o 36.225  3.4514  717.589    133.779  680.882    202.355  746.090    178.304  35.004  5.5203  36.814  4.5701  -1.809669      7.166501  
1 1 1 2   50  9  o 72.580  2.8018  2854.15    220.254  3114.92    328.362  2640.86    296.971  75.697  4.0194  69.687  3.9508  6.010384       5.635969  
1 1 1 2   50  10 o 282.917 5.8368  43441.46   1788.57  38931.99   3098.92  45693.99   2190.19  267.143 10.710  290.025 6.9723  -22.88104      12.77968  
1 1 1 2   50  11 o 263.660 6.7178  37762.87   1918.41  38988.80   2718.07  36545.96   2708.05  267.516 9.3808  258.954 9.6553  8.562073       13.46195  
1 1 1 2   50  12 o 419.409 9.0955  95835.15   4131.73  96013.88   4558.53  95012.54   9779.78  419.528 10.032  411.120 22.043  8.407562       24.21875  
1 1 1 2   50  13 o 272.438 4.8952  40272.62   1444.46  41051.95   2047.51  39500.45   2038.08  274.805 6.8791  269.547 6.9810  5.258179       9.800825  
1 1 1 2   50  14 o 164.320 3.4352  14638.23   611.376  16702.21   1229.27  13959.90   704.716  175.284 6.4749  160.434 4.0555  14.84946       7.640145  
1 1 1 2   50  15 o 303.164 5.3510  49917.05   1757.03  49158.89   3516.19  50169.36   2028.43  299.514 10.839  303.785 6.1649  -4.270813      12.46943  
1 1 1 2   50  16 o 140.560 3.2182  10712.92   489.948  11999.77   964.757  10265.69   568.749  148.534 5.9968  137.560 3.8173  10.97368       7.108736  
1 1 1 2   50  17 o 115.861 3.0089  7279.59    377.584  7242.12    762.238  7291.77    434.661  115.156 6.1334  115.933 3.4616  -0.7772217     7.042840  
1 1 1 2   50  18 o 190.689 4.0162  19754.08   829.484  19147.04   1569.27  19989.45   977.148  186.939 7.7504  191.710 4.7059  -4.770599      9.067258  
1 1 1 2   50  19 o 124.475 3.0529  8410.64    411.595  7548.19    815.480  8705.45    476.782  117.273 6.4449  126.594 3.4773  -9.320854      7.323112  
1 1 1 2   50  20 o 86.596  2.9966  4073.14    281.062  4317.13    632.809  4013.18    313.701  88.399  6.6582  85.923  3.3708  2.476242       7.462818  
1 1 1 2   50  21 o 97.439  3.0600  5161.34    322.944  5774.23    684.435  4985.81    366.281  102.278 6.2078  95.707  3.5335  6.571053       7.142987  
1 1 1 2   50  22 o 57.519  3.6409  1810.30    225.657  1506.19    507.526  1885.23    251.928  50.887  9.5593  58.642  3.9901  -7.755398      10.35865  
1 1 1 2   50  23 o 37.556  5.3830  791.838    212.706  870.363    465.617  771.129    239.114  38.210  10.781  36.846  6.2127  1.364338       12.44337  
1 1 1 2   50  24 o 88.541  2.8714  4269.82    275.366  3258.65    658.863  4483.83    303.108  75.451  8.1941  90.693  3.0857  -15.24198      8.755816  
1 1 1 2   50  25 o 55.374  4.1204  1693.45    245.359  2089.33    527.752  1584.29    277.130  59.882  8.3653  53.349  4.8490  6.533298       9.669093  
1 1 1 2   50  26 o 66.978  2.6013  2446.25    188.712  2578.65    242.142  2241.42    301.172  68.633  3.2574  63.565  4.4016  5.068184       5.475770  
1 1 1 2   50  27 o 43.962  2.0024  1051.60    95.344   1017.94    476.751  1053.00    97.310   39.968  10.770  43.987  2.0425  -4.019836      10.96207  
1 1 1 2   50  28 o 17.934  7.2070  110.386    214.103  -236.5278  416.985  234.590    249.504  18.725  8.6717  21.537  8.0089  -2.811985      11.80427  
1 1 1 2   50  29 o 63.146  4.1374  2249.82    281.411  1797.28    534.401  2423.46    331.025  51.849  9.8768  65.157  4.7227  -13.30790      10.94782  
1 1 1 2   50  30 o 42.541  8.3048  1177.32    368.920  0.0000     0.0000   1177.32    368.920  ?       ?       42.541  8.3048  0.000000       8.304773  
1 1 1 2   50  31 o 24.567  9.1993  396.377    330.308  0.0000     0.0000   396.377    330.308  ?       ?       24.567  9.1993  0.000000       9.199321  
1 1 1 2   50  32 f 31.533  9.8887  764.235    375.826  0.0000     0.0000   764.235    375.826  ?       ?       31.533  9.8887  0.000000       9.888686  
1 1 1 2   51  0  o 361.875 7.0765  71073.07   2773.61  73638.53   4806.67  69792.45   3396.03  367.584 12.073  358.394 8.7486  9.190002       14.90966  
1 1 1 2   51  1  o 249.440 4.5451  33726.09   1227.94  33539.76   1737.10  33912.20   1736.04  248.636 6.4505  250.015 6.4109  -1.379425      9.094427  
1 1 1 2   51  2  o 183.859 3.6361  18317.47   724.078  18484.35   1025.03  18151.25   1022.98  184.641 5.1255  182.968 5.1620  1.672760       7.274442  
1 1 1 2   51  3  o 441.836 7.3477  105982.30  3516.26  103428.80  4972.93  108535.50  4972.57  435.915 10.533  446.601 10.280  -10.68527      14.71786  
1 1 1 2   51  4  o 122.097 2.9414  8076.59    388.978  8066.97    550.479  8086.18    549.717  121.999 4.1659  122.145 4.1552  -0.1453857     5.883955  
1 1 1 2   51  5  o 199.986 3.8716  21674.99   838.611  21877.58   1189.09  21474.50   1182.89  200.844 5.4662  198.984 5.4885  1.860046       7.746148  
1 1 1 2   51  6  o 156.604 3.3064  13289.11   560.825  13019.23   796.609  13554.32   789.688  154.959 4.7463  158.116 4.6111  -3.157547      6.617431  
1 1 1 2   51  7  o 211.159 4.0066  24168.22   916.331  23758.77   1297.71  24575.38   1294.07  209.266 5.7255  212.839 5.6135  -3.573395      8.018265  
1 1 1 2   51  8  o 64.358  2.8212  2244.16    196.656  1909.22    290.176  2528.67    267.441  59.164  4.5635  68.209  3.6331  -9.045296      5.833154  
1 1 1 2   51  9  o 143.298 3.1644  11127.25   491.130  10887.70   701.876  11357.07   687.472  141.699 4.5732  144.729 4.3856  -3.029587      6.336246  
1 1 1 2   51  10 o 260.295 5.4253  36762.97   1529.55  39119.66   2652.51  35588.96   1872.15  268.035 9.1368  255.970 6.7528  12.06506       11.36141  
1 1 1 2   51  11 o 195.565 4.4529  20740.71   943.190  19709.40   1157.55  22778.05   1626.96  190.563 5.6083  204.702 7.3381  -14.13852      9.235871  
1 1 1 2   51  12 o 349.038 6.0463  66157.77   2285.76  65234.30   3234.10  67079.48   3231.01  346.100 8.6274  350.990 8.4991  -4.889648      12.11062  
1 1 1 2   51  13 o 483.033 8.0849  127047.00  4229.79  132385.50  5984.27  121717.20  5979.40  491.833 11.234  471.386 11.711  20.44739       16.22820  
1 1 1 2   51  14 o 277.229 6.2117  41771.66   1865.19  41988.20   2941.75  41626.10   2411.99  277.207 9.7978  276.408 8.0567  0.7998047      12.68492  
1 1 1 2   51  15 o 106.199 3.0036  6113.71    345.487  5454.47    697.163  6328.30    397.763  99.926  6.4764  108.032 3.3994  -8.106277      7.314323  
1 1 1 2   51  16 o 142.647 3.2405  11034.53   500.662  9754.08    1007.30  11454.65   576.979  133.607 6.9851  145.310 3.6660  -11.70285      7.888658  
1 1 1 2   51  17 f 97.186  2.8200  5121.57    296.841  5123.85    623.637  5120.90    337.528  96.809  5.9769  97.161  3.2074  -0.3521118     6.783101  
1 1 1 2   51  18 o 192.107 3.8083  20047.16   792.396  18250.15   1584.12  20646.85   915.111  182.341 8.0211  194.871 4.3357  -12.52975      9.117873  
1 1 1 2   51  19 o 71.395  2.9688  2767.06    229.568  2393.59    454.641  2894.87    265.965  65.801  6.4626  73.000  3.3638  -7.198860      7.285623  
1 1 1 2   51  20 o 76.182  2.6099  3150.52    215.351  3730.68    578.714  3057.27    232.013  82.131  6.5604  75.028  2.8551  7.102371       7.154695  
1 1 1 2   51  21 o 42.493  2.0430  979.581    94.027   1166.41    465.599  971.638    96.005   44.680  9.8833  42.318  2.0946  2.361359       10.10280  
1 1 1 2   51  22 o 87.126  2.7704  4126.92    261.437  4608.64    634.047  4028.25    286.967  91.074  6.4698  86.039  3.0794  5.034851       7.165266  
1 1 1 2   51  23 o 92.438  3.1574  4655.47    316.122  6084.61    666.854  4241.21    359.026  104.741 5.9023  88.119  3.7617  16.62193       6.999086  
1 1 1 2   51  24 o 103.643 3.1792  5860.11    356.891  5867.48    746.876  5857.92    406.276  102.189 6.7866  103.511 3.6238  -1.322350      7.693486  
1 1 1 2   51  25 o 106.035 3.2569  6145.90    374.052  6172.19    770.357  6137.79    427.876  104.423 6.8492  105.812 3.7335  -1.388451      7.800659  
1 1 1 2   51  26 o 62.657  2.2000  2136.97    149.299  2467.59    179.574  1396.79    268.687  67.287  2.4640  49.888  5.0418  17.39878       5.611654  
1 1 1 2   51  27 o 20.184  7.2529  207.463    201.965  647.544    468.562  107.043    223.825  32.485  11.093  18.281  7.3609  14.20442       13.31289  
1 1 1 2   51  28 o 40.799  4.9808  950.706    215.526  1031.67    483.700  930.649    240.746  39.119  10.972  40.043  5.7128  -0.9239616     12.36982  
1 1 1 2   51  29 f 17.217  7.4170  39.023     250.879  0.0000     0.0000   39.023     250.879  ?       ?       17.217  7.4170  0.000000       7.417033  
1 1 1 2   51  30 o 49.422  6.8706  1505.14    357.828  0.0000     0.0000   1505.14    357.828  ?       ?       49.422  6.8706  0.000000       6.870581  
1 1 1 2   51  31 o 28.013  9.7263  567.086    360.797  0.0000     0.0000   567.086    360.797  ?       ?       28.013  9.7263  0.000000       9.726315  
1 1 1 2   51  32 o 23.780  9.1710  382.186    334.223  0.0000     0.0000   382.186    334.223  ?       ?       23.780  9.1710  0.000000       9.170973  
1 1 1 2   52  0  o 206.845 3.9570  23186.73   886.502  23718.55   1255.44  22657.86   1251.97  209.131 5.5425  204.396 5.6553  4.735535       7.918428  
1 1 1 2   52  1  o 152.190 3.2537  12549.47   536.328  13032.22   759.247  12068.65   757.721  155.055 4.5209  149.207 4.6887  5.847580       6.513250  
1 1 1 2   52  2  o 282.000 5.0050  43116.58   1528.70  42666.13   2162.69  43566.38   2161.12  280.355 7.1222  283.305 7.0429  -2.949707      10.01646  
1 1 1 2   52  3  o 132.127 3.0492  9458.31    436.367  9280.42    615.616  9637.94    618.627  130.848 4.3438  133.347 4.2833  -2.498230      6.100429  
1 1 1 2   52  4  o 223.790 4.1940  27145.74   1016.57  26465.13   1438.59  27824.56   1436.69  220.865 6.0137  226.477 5.8569  -5.612000      8.394522  
1 1 1 2   52  5  o 314.356 5.4908  53600.35   1869.50  52172.61   2644.70  55026.31   2643.05  309.884 7.8797  318.273 7.6672  -8.389435      10.99430  
1 1 1 2   52  6  o 286.176 5.0181  44412.25   1555.42  45600.01   2201.60  43228.61   2197.78  289.788 7.0144  282.133 7.1922  7.655121       10.04634  
1 1 1 2   52  7  o 374.083 6.3726  75959.88   2581.98  77830.04   3652.05  74090.89   3650.90  378.241 8.9145  369.002 9.1349  9.239410       12.76378  
1 1 1 2   52  8  f 243.226 4.3947  32074.92   1157.73  31837.12   1640.01  32311.14   1634.55  242.178 6.2523  243.981 6.1855  -1.802322      8.794963  
1 1 1 2   52  9  o 21.515  6.2678  255.888    154.973  322.552    279.198  226.204    186.309  25.298  8.5631  21.011  6.9948  4.286335       11.05683  
1 1 1 2   52  10 o 229.290 6.0386  28541.61   1499.65  29335.77   2123.67  27751.69   2118.00  232.186 8.4446  225.802 8.6602  6.383774       12.09589  
1 1 1 2   52  11 o 508.231 9.8377  140850.59  5415.36  142804.70  6633.47  136945.91  9376.76  510.894 11.988  497.511 17.401  13.38358       21.13080  
1 1 1 2   52  12 o 295.715 5.2209  47458.46   1672.21  47676.59   2367.67  47241.36   2362.05  296.079 7.3832  294.722 7.3996  1.357269       10.45300  
1 1 1 2   52  13 o 246.862 4.5182  33061.96   1208.06  33994.80   1714.05  32141.19   1702.92  250.105 6.3275  243.172 6.4656  6.933075       9.046599  
1 1 1 2   52  14 o 290.129 5.9551  45741.65   1871.33  43928.41   3241.60  46647.96   2291.78  283.279 10.565  292.751 7.2278  -9.472076      12.80087  
1 1 1 2   52  15 o 324.926 5.6719  57386.16   1996.11  58514.82   3994.03  57010.40   2304.55  326.332 11.300  323.657 6.5740  2.675629       13.07323  
1 1 1 2   52  16 o 37.926  1.5826  779.213    65.007   1016.16    350.559  770.775    66.155   42.465  7.9130  37.719  1.6193  4.745335       8.077005  
1 1 1 2   52  17 o 110.588 3.0078  6633.57    360.268  7584.50    723.158  6319.65    415.501  118.010 5.6578  107.905 3.5552  10.10495       6.682014  
1 1 1 2   52  18 o 129.154 3.1995  9054.54    447.576  9226.84    881.412  8994.67    519.544  129.952 6.2622  128.674 3.7279  1.278839       7.287790  
1 1 1 2   52  19 o 70.453  2.9800  2695.07    227.396  2792.44    460.986  2663.76    261.414  71.179  6.0364  70.011  3.4474  1.168037       6.951420  
1 1 1 2   52  20 o 74.521  3.1659  3018.61    255.533  3533.35    570.770  2889.57    285.773  79.860  6.6595  72.870  3.6208  6.989639       7.580189  
1 1 1 2   52  21 o 50.795  3.8627  1414.41    210.919  1727.11    490.042  1343.31    233.671  55.028  8.4957  49.402  4.4135  5.625591       9.573705  
1 1 1 2   52  22 o 128.487 3.2290  8990.01    449.358  8893.54    918.806  9020.34    515.173  126.467 6.7320  128.593 3.6988  -2.125473      7.681202  
1 1 1 2   52  23 o 86.980  3.1748  4123.01    299.093  5199.21    642.788  3825.61    337.900  96.652  6.1725  83.685  3.7280  12.96741       7.210905  
1 1 1 2   52  24 o 126.304 3.2729  8709.17    447.735  8087.01    920.058  8902.22    512.515  119.736 7.1267  127.550 3.7098  -7.814651      8.034485  
1 1 1 2   52  25 o 71.255  3.4865  2779.96    269.078  2737.03    582.218  2791.62    303.427  68.763  7.9649  71.190  3.9507  -2.427147      8.890854  
1 1 1 2   52  26 o 40.930  1.4530  909.294    64.411   947.419    66.764   396.633    244.824  41.778  1.4755  26.021  7.9522  15.75669       8.087873  
1 1 1 2   52  27 o 48.140  2.3712  1264.22    123.636  1255.37    519.757  1264.75    127.290  44.067  10.940  48.077  2.4526  -4.010170      11.21184  
1 1 1 2   52  28 o 44.183  5.2945  1123.36    248.325  679.857    520.181  1254.26    282.606  32.087  11.625  46.490  5.7340  -14.40325      12.96204  
1 1 1 2   52  29 o 37.706  7.1405  881.959    280.938  0.0000     0.0000   881.959    280.938  ?       ?       37.706  7.1405  0.000000       7.140459  
1 1 1 2   52  30 o 20.255  8.3557  171.117    296.842  0.0000     0.0000   171.117    296.842  ?       ?       20.255  8.3557  0.000000       8.355708  
1 1 1 2   52  31 o 17.353  7.7965  -14.7246   305.614  0.0000     0.0000   -14.7246   305.614  ?       ?       17.353  7.7965  0.000000       7.796494  
1 1 1 2   52  32 o 21.961  9.0858  269.271    352.421  0.0000     0.0000   269.271    352.421  ?       ?       21.961  9.0858  0.000000       9.085788  
1 1 1 2   53  0  o 81.510  2.6352  3599.22    232.646  3526.13    324.579  3676.44    333.630  80.665  3.7150  82.366  3.7398  -1.700958      5.271393  
1 1 1 2   53  1  o 203.806 3.8228  22510.34   843.862  23239.08   1195.33  21786.29   1191.48  207.010 5.3312  200.427 5.4886  6.583298       7.651568  
1 1 1 2   53  2  o 271.086 4.8029  39842.44   1410.21  40726.24   1994.92  38959.66   1993.76  273.927 6.7239  267.907 6.8710  6.020020       9.613591  
1 1 1 2   53  3  o 155.861 3.4290  13163.58   578.858  12556.93   853.567  13680.17   787.658  152.169 5.1789  158.853 4.5780  -6.683701      6.912242  
1 1 1 2   53  4  o 130.186 3.0100  9182.84    424.432  9381.94    601.867  8985.88    598.622  131.560 4.2238  128.751 4.2927  2.808807       6.022308  
1 1 1 2   53  5  o 258.037 4.6821  36101.12   1308.56  35031.56   1851.46  37168.64   1849.70  254.025 6.7292  261.678 6.5262  -7.652695      9.374149  
1 1 1 2   53  6  o 377.802 6.3870  77476.14   2613.56  78959.96   3697.26  75994.12   3695.00  380.980 8.9600  373.724 9.1284  7.255524       12.79096  
1 1 1 2   53  7  o 384.126 6.5659  80111.50   2731.73  79283.73   3864.37  80938.30   3862.14  381.638 9.3488  385.621 9.2469  -3.983093      13.14936  
1 1 1 2   53  8  o 328.665 5.6955  58616.76   2027.49  57267.57   2867.30  59965.96   2867.31  324.518 8.1576  332.107 7.9712  -7.588318      11.40560  
1 1 1 2   53  9  o 112.476 3.3963  6856.22    413.744  5948.69    720.785  7302.20    505.280  104.472 6.4008  116.059 4.0196  -11.58635      7.558268  
1 1 1 2   53  10 o 199.167 5.9952  21535.43   1293.28  22542.83   1625.85  19799.86   2134.04  203.643 7.3713  190.222 10.397  13.42068       12.74513  
1 1 1 2   53  11 o 120.826 3.5634  7913.59    466.330  8416.28    580.872  7002.22    782.127  124.578 4.3050  113.358 6.3963  11.21947       7.710112  
1 1 1 2   53  12 o 72.901  2.5763  2879.64    203.422  2726.10    367.762  2947.33    244.177  70.718  4.8303  73.744  3.0571  -3.025986      5.716390  
1 1 1 2   53  13 o 87.147  3.0064  4116.24    283.768  3951.66    418.491  4256.32    386.084  85.221  4.5503  88.589  4.0238  -3.367569      6.074222  
1 1 1 2   53  14 o 227.624 4.9278  28129.89   1214.92  26160.38   2104.27  29114.69   1487.97  218.896 8.8755  231.444 5.9358  -12.54756      10.67746  
1 1 1 2   53  15 o 28.007  1.3007  424.864    39.457   479.029    302.869  423.929    39.796   29.447  8.8107  27.976  1.3134  1.471403       8.908031  
1 1 1 2   53  16 o 69.944  2.9912  2652.96    226.605  3075.17    471.619  2526.23    258.385  74.937  5.8572  68.146  3.5127  6.791405       6.829749  
1 1 1 2   53  17 o 184.240 3.7030  18431.19   738.929  18333.18   1478.95  18463.80   853.030  183.012 7.4611  184.322 4.2729  -1.310242      8.598022  
1 1 1 2   53  18 o 49.822  3.5100  1354.96    188.195  1323.72    378.262  1365.24    216.951  48.577  7.4253  49.947  4.0451  -1.370152      8.455626  
1 1 1 2   53  19 o 91.300  2.7164  4524.82    268.614  4323.48    578.342  4580.20    303.315  88.635  6.0607  91.829  3.0496  -3.194626      6.784711  
1 1 1 2   53  20 o 5.8574  2.5806  -9.5291    31.845   -53.7176   409.729  -9.2605    31.942   21.515  9.3728  5.8791  2.5875  15.63589       9.723355  
1 1 1 2   53  21 o 108.136 2.9454  6357.78    344.969  7306.98    756.939  6108.95    387.557  115.030 6.0972  105.933 3.3778  9.096581       6.970364  
1 1 1 2   53  22 o 150.243 3.5662  12311.09   580.314  14702.40   1265.09  11673.83   653.078  162.443 7.1904  146.128 4.1263  16.31465       8.290207  
1 1 1 2   53  23 o 85.024  2.7187  3933.77    250.368  4491.38    629.817  3829.11    272.854  89.616  6.5337  83.841  3.0047  5.774635       7.191499  
1 1 1 2   53  24 o 133.586 3.3242  9747.77    480.968  9736.47    980.331  9751.35    551.964  131.488 6.9078  133.427 3.8194  -1.939224      7.893413  
1 1 1 2   53  25 o 107.269 3.2552  6293.27    378.206  6651.55    780.302  6183.26    432.391  108.406 6.6782  106.153 3.7607  2.252930       7.664285  
1 1 1 2   53  26 o 33.403  1.5139  605.752    54.771   710.834    78.712   507.108    76.262   36.093  2.0216  30.422  2.3322  5.670662       3.086420  
1 1 1 2   53  27 o 47.674  4.5868  1276.68    233.923  1152.04    516.291  1308.87    262.401  41.911  11.171  48.070  5.1187  -6.158825      12.28771  
1 1 1 2   53  28 o 50.155  2.2518  1375.56    122.325  1272.58    529.563  1381.37    125.725  42.730  11.278  50.249  2.3101  -7.518780      11.51177  
1 1 1 2   53  29 o 31.691  9.1138  675.308    329.563  0.0000     0.0000   675.308    329.563  ?       ?       31.691  9.1138  0.000000       9.113825  
1 1 1 2   53  30 o 51.252  6.3902  1598.67    347.018  0.0000     0.0000   1598.67    347.018  ?       ?       51.252  6.3902  0.000000       6.390193  
1 1 1 2   53  31 o 30.690  9.4554  687.740    345.338  0.0000     0.0000   687.740    345.338  ?       ?       30.690  9.4554  0.000000       9.455445  
1 1 1 2   53  32 o 25.492  9.1205  464.639    319.044  0.0000     0.0000   464.639    319.044  ?       ?       25.492  9.1205  0.000000       9.120547  
1 1 1 2   54  0  o 157.229 3.7631  13397.30   640.844  15177.76   1114.04  12516.76   783.446  167.250 6.1498  151.941 4.7606  15.30888       7.777129  
1 1 1 2   54  1  o 307.086 5.3315  51143.73   1773.29  49824.79   2508.03  52462.20   2507.58  302.868 7.6455  310.805 7.4490  -7.936157      10.67435  
1 1 1 2   54  2  o 258.049 4.6684  36102.36   1304.79  35034.88   1845.69  37168.82   1844.81  254.053 6.7075  261.693 6.5086  -7.640488      9.346308  
1 1 1 2   54  3  o 186.470 3.6792  18843.78   743.072  18630.59   1050.45  19057.30   1051.27  185.344 5.2327  187.457 5.1778  -2.113388      7.361429  
1 1 1 2   54  4  o 96.298  2.8010  5024.10    292.151  4947.96    413.865  5099.72    412.465  95.544  3.9993  97.000  3.9260  -1.455688      5.604239  
1 1 1 2   54  5  o 126.473 2.9773  8666.66    407.836  8807.78    581.770  8530.28    571.893  127.467 4.2139  125.443 4.2092  2.023956       5.956030  
1 1 1 2   54  6  o 195.356 3.8061  20685.26   805.338  20876.10   1142.98  20497.10   1134.90  196.172 5.3794  194.383 5.3905  1.789566       7.615461  
1 1 1 2   54  7  o 493.761 8.2800  132582.09  4428.12  129525.20  6263.02  135637.59  6261.60  486.966 11.874  498.421 11.599  -11.45508      16.59936  
1 1 1 2   54  8  o 227.752 5.2649  28140.48   1298.75  28770.41   2068.23  27730.37   1668.80  229.986 8.3029  225.951 6.8190  4.034225       10.74411  
1 1 1 2   54  9  o 231.336 7.1306  29080.79   1786.64  28317.68   2203.65  30544.68   3052.16  228.061 8.9212  236.062 11.977  -8.000793      14.93409  
1 1 1 2   54  10 o 234.690 5.0693  29882.89   1288.58  29720.33   1580.71  30204.91   2224.81  233.941 6.2384  235.531 8.7212  -1.589493      10.72274  
1 1 1 2   54  11 f 244.485 4.4882  32420.54   1188.47  33405.67   1684.55  31444.23   1676.98  247.987 6.2717  240.577 6.4358  7.409866       8.986309  
1 1 1 2   54  12 o 149.464 3.3056  12109.43   535.131  12066.92   764.194  12150.32   749.596  149.128 4.7312  149.649 4.6247  -0.5209045     6.616071  
1 1 1 2   54  13 o 22.016  6.5849  266.175    169.197  77.770     283.080  370.891    211.043  20.093  8.2090  25.764  7.2546  -5.671762      10.95525  
1 1 1 2   54  14 o 122.819 3.5563  8180.43    473.079  8354.77    835.703  8098.22    573.884  123.785 6.2535  122.159 4.3374  1.625877       7.610474  
1 1 1 2   54  15 o 114.859 3.0096  7153.01    374.407  6891.94    745.159  7241.18    433.038  112.367 6.1459  115.543 3.4603  -3.175880      7.053096  
1 1 1 2   54  16 o 64.665  3.0413  2267.99    213.013  2595.46    445.911  2171.16    242.468  68.763  6.0488  63.153  3.5593  5.610096       7.018268  
1 1 1 2   54  17 o 83.466  2.9609  3779.68    267.675  3689.05    538.059  3809.49    308.569  81.994  6.1023  83.770  3.4009  -1.775505      6.986030  
1 1 1 2   54  18 o 104.330 2.9421  5908.40    332.457  5391.87    672.006  6075.79    382.552  99.062  6.2959  105.763 3.3395  -6.700394      7.126745  
1 1 1 2   54  19 o 112.959 2.9942  6931.03    366.335  7658.92    771.662  6719.26    416.229  118.042 6.0560  111.164 3.4570  6.878387       6.973207  
1 1 1 2   54  20 o 115.273 3.0666  7223.62    382.872  7827.97    786.579  7035.98    438.300  119.174 6.1144  113.691 3.5594  5.483734       7.074971  
1 1 1 2   54  21 o 103.976 3.0666  5881.19    345.346  5977.00    715.597  5852.11    394.302  103.857 6.3926  103.646 3.5124  0.2105408      7.294016  
1 1 1 2   54  22 o 121.850 3.1596  8086.69    416.985  8283.67    870.188  8027.98    475.082  121.990 6.6106  121.299 3.6161  0.6910172      7.535010  
1 1 1 2   54  23 f 26.016  6.6421  391.680    187.810  -13.7019   453.275  475.699    206.357  22.809  9.8974  28.645  6.7600  -5.836761      11.98568  
1 1 1 2   54  24 o 94.436  3.1908  4869.99    326.367  5043.41    691.330  4820.26    370.218  94.510  6.7991  93.835  3.6427  0.6755219      7.713398  
1 1 1 2   54  25 f 110.739 3.1257  6704.50    374.905  6519.09    802.890  6756.19    423.963  107.018 6.9647  111.023 3.5257  -4.004753      7.806217  
1 1 1 2   54  26 f 62.158  2.6449  2108.76    178.068  1999.69    228.818  2276.23    283.544  60.250  3.5217  64.106  4.1053  -3.855263      5.408861  
1 1 1 2   54  27 o 51.420  2.3894  1443.72    133.076  1676.20    527.262  1427.90    137.528  51.604  9.7918  51.121  2.4838  0.4829407      10.10190  
1 1 1 2   54  28 o 14.157  6.4666  -105.7215  221.015  130.602    471.499  -172.2702  250.206  23.279  10.098  14.328  6.6633  8.951571       12.09834  
1 1 1 2   54  29 o 32.818  9.0193  723.675    330.498  0.0000     0.0000   723.675    330.498  ?       ?       32.818  9.0193  0.000000       9.019266  
1 1 1 2   54  30 o 23.260  8.7399  330.167    298.640  0.0000     0.0000   330.167    298.640  ?       ?       23.260  8.7399  0.000000       8.739863  
1 1 1 2   54  31 o 21.974  8.6611  283.628    303.399  0.0000     0.0000   283.628    303.399  ?       ?       21.974  8.6611  0.000000       8.661070  
1 1 1 2   54  32 o 18.398  8.4406  -42.7884   382.144  0.0000     0.0000   -42.7884   382.144  ?       ?       18.398  8.4406  0.000000       8.440631  
1 1 1 2   55  0  o 97.597  3.2216  5161.18    340.544  5284.21    588.080  5099.11    417.707  98.546  5.5321  96.994  3.9761  1.551460       6.812719  
1 1 1 2   55  1  o 154.174 3.7973  12882.31   634.091  12863.84   1103.51  12891.42   774.771  153.943 6.6183  154.199 4.6390  -0.2559967     8.082173  
1 1 1 2   55  2  o 622.243 10.215  210856.59  6884.52  213827.80  9736.87  207886.30  9735.49  624.903 14.386  616.063 14.590  8.839783       20.48972  
1 1 1 2   55  3  o 151.444 3.2454  12427.74   532.333  12627.54   752.389  12227.48   753.276  152.614 4.5518  150.174 4.6312  2.440002       6.493551  
1 1 1 2   55  4  o 328.907 5.7116  58693.30   2034.70  59602.27   2878.93  57786.13   2876.07  331.147 8.0267  326.046 8.1442  5.101654       11.43491  
1 1 1 2   55  5  o 237.752 4.3740  30645.69   1126.34  30793.65   1594.09  30498.17   1591.68  238.193 6.1789  237.046 6.1995  1.147293       8.752852  
1 1 1 2   55  6  o 444.548 7.4003  107375.90  3563.18  110410.10  5040.68  104345.50  5037.51  450.081 10.340  437.466 10.632  12.61560       14.83078  
1 1 1 2   55  7  o 377.988 7.5042  77647.17   3072.21  75924.05   5326.37  78506.24   3760.86  372.402 13.205  379.750 9.1436  -7.348663      16.06196  
1 1 1 2   55  8  o 206.821 4.5652  23196.47   1022.65  24124.94   1777.90  22737.39   1250.16  210.644 7.7927  204.691 5.6389  5.953796       9.618929  
1 1 1 2   55  9  o 274.691 6.9650  40999.32   2072.23  41406.94   2933.85  40593.53   2927.29  275.600 9.8285  272.865 9.9048  2.734436       13.95372  
1 1 1 2   55  10 o 270.875 5.5807  39827.07   1637.30  40684.66   2007.59  38123.70   2829.37  273.627 6.7740  264.371 9.8811  9.256195       11.98015  
1 1 1 2   55  11 o 151.309 3.4463  12410.41   564.793  11752.44   776.710  13148.70   822.753  147.172 4.8726  155.669 4.8797  -8.496704      6.895957  
1 1 1 2   55  12 o 108.909 2.9845  6428.50    352.045  6543.00    508.583  6323.18    487.802  109.829 4.2754  107.972 4.1712  1.856468       5.973103  
1 1 1 2   55  13 o 111.172 3.0594  6699.41    368.379  6700.13    530.248  6698.74    512.156  111.121 4.4057  111.117 4.2555  0.4287720E-02  6.125299  
1 1 1 2   55  14 o 284.973 5.0414  44110.23   1556.04  43863.08   2205.48  44355.19   2195.71  283.741 7.1765  285.346 7.1045  -1.604340      10.09828  
1 1 1 2   55  15 o 125.769 3.0649  8577.67    417.507  8511.91    837.599  8599.42    481.600  125.030 6.1852  125.901 3.5317  -0.8710327     7.122464  
1 1 1 2   55  16 o 42.247  2.1648  969.907    98.723   913.143    357.006  974.607    102.729  40.066  8.4905  42.344  2.2480  -2.277229      8.783070  
1 1 1 2   55  17 o 121.380 3.0450  7995.40    400.309  8187.84    805.054  7932.19    461.393  122.451 6.0700  120.856 3.5248  1.595619       7.019222  
1 1 1 2   55  18 o 82.595  2.9059  3703.47    259.959  3431.94    528.795  3790.00    298.524  78.927  6.2365  83.525  3.2998  -4.598251      7.055713  
1 1 1 2   55  19 o 42.304  2.2197  973.529    101.350  1172.54    437.212  962.228    104.188  45.076  9.2649  42.050  2.2963  3.025642       9.545262  
1 1 1 2   55  20 o 38.184  4.6830  808.483    189.617  1365.80    418.244  664.297    212.737  48.930  8.1808  34.299  5.9418  14.63080       10.11091  
1 1 1 2   55  21 o 89.074  3.1148  4317.76    300.505  4368.05    620.076  4302.33    343.543  88.646  6.5037  88.846  3.5700  -0.2004395     7.419067  
1 1 1 2   55  22 o 56.815  3.5541  1767.90    217.608  1819.95    496.437  1755.52    242.107  56.269  8.4032  56.535  3.9792  -0.2664223     9.297742  
1 1 1 2   55  23 o 32.793  0.9372  582.744    33.288   -108.0506  443.639  586.655    33.382   21.443  9.5296  32.903  0.9367  -11.46054      9.575551  
1 1 1 2   55  24 o 31.317  5.9322  563.536    193.851  852.888    465.879  502.948    213.183  37.319  10.866  29.343  6.8349  7.975565       12.83699  
1 1 1 2   55  25 o 71.174  3.5447  2778.19    273.254  3015.32    583.249  2711.50    309.299  72.234  7.5673  70.055  4.0941  2.178764       8.603798  
1 1 1 2   55  26 o 57.481  2.3841  1801.26    148.426  2208.60    427.925  1745.55    158.250  62.074  6.4595  56.552  2.5836  5.521744       6.956974  
1 1 1 2   55  27 f 69.774  3.7770  2702.63    284.372  2590.56    593.138  2736.08    324.042  65.117  8.6219  69.956  4.2975  -4.838722      9.633588  
1 1 1 2   55  28 o 51.668  4.6503  1523.84    257.451  1283.38    541.571  1594.05    292.630  42.095  11.536  52.515  5.2136  -10.41976      12.65932  
1 1 1 2   55  29 o 20.212  8.2354  171.998    283.922  0.0000     0.0000   171.998    283.922  ?       ?       20.212  8.2354  0.000000       8.235375  
1 1 1 2   55  30 o 67.513  5.6455  2712.18    409.026  0.0000     0.0000   2712.18    409.026  ?       ?       67.513  5.6455  0.000000       5.645451  
1 1 1 2   55  31 o 33.829  9.2415  828.390    348.210  0.0000     0.0000   828.390    348.210  ?       ?       33.829  9.2415  0.000000       9.241527  
1 1 1 2   56  0  o 93.840  3.9272  4772.91    399.153  4429.11    560.954  5125.51    568.088  90.169  5.7741  97.056  5.4258  -6.887115      7.923394  
1 1 1 2   56  1  o 153.029 3.7757  12691.96   625.815  14330.00   1087.89  11881.81   765.080  162.497 6.1812  148.029 4.7719  14.46742       7.808814  
1 1 1 2   56  2  o 333.141 6.6657  60252.58   2405.17  62628.54   4169.73  59067.89   2944.36  338.844 11.362  329.632 8.2469  9.212341       14.03912  
1 1 1 2   56  3  o 459.310 8.9022  114763.80  4428.65  115803.70  7673.73  114244.40  5422.88  459.329 15.425  457.747 10.938  1.582062       18.90911  
1 1 1 2   56  4  o 374.077 7.3982  76022.12   2997.48  78739.55   5194.59  74665.60   3670.15  379.552 12.636  370.414 9.1480  9.138275       15.59984  
1 1 1 2   56  5  o 239.178 5.0926  31028.23   1319.28  30459.16   2285.05  31312.77   1615.78  236.596 8.9170  240.182 6.2111  -3.585297      10.86696  
1 1 1 2   56  6  o 191.531 4.3374  19889.50   899.786  20340.27   1567.20  19667.85   1098.96  193.467 7.4791  190.404 5.3289  3.063019       9.183311  
1 1 1 2   56  7  o 154.180 3.8675  12885.84   645.840  10978.30   1127.33  13817.77   787.964  141.943 7.3580  159.628 4.5575  -17.68446      8.655132  
1 1 1 2   56  8  o 150.325 4.6467  12255.53   756.560  12075.09   1077.08  12431.26   1062.93  149.100 6.6697  151.295 6.4865  -2.195206      9.303713  
1 1 1 2   56  9  o 172.398 4.1463  16115.35   774.220  15182.06   951.651  17942.23   1331.45  167.269 5.2528  181.722 6.7647  -14.45256      8.564619  
1 1 1 2   56  10 o 107.316 2.9673  6241.20    344.909  6470.86    498.350  6030.04    477.845  109.235 4.2121  105.450 4.1838  3.785355       5.936861  
1 1 1 2   56  11 o 346.957 5.9986  65391.82   2254.21  66325.45   3191.32  64462.15   3184.55  348.902 8.4450  343.940 8.5486  4.961487       12.01649  
1 1 1 2   56  12 o 176.225 3.8105  16840.77   727.308  17555.19   985.205  15985.09   1078.21  179.832 5.0581  171.538 5.8033  8.294479       7.698225  
1 1 1 2   56  13 o 203.016 3.9396  22357.57   866.268  22484.12   1230.27  22233.13   1219.97  203.419 5.5839  202.282 5.5683  1.136658       7.885808  
1 1 1 2   56  14 o 212.851 3.9813  24584.49   917.858  26358.25   1308.53  22866.46   1287.81  220.198 5.4866  205.049 5.7986  15.14873       7.982865  
1 1 1 2   56  15 o 76.907  2.5670  3206.37    213.824  2969.31    489.110  3262.38    237.746  73.573  6.1956  77.567  2.8299  -3.994545      6.811246  
1 1 1 2   56  16 o 147.514 3.2822  11809.18   524.402  10666.71   1042.10  12196.59   606.834  139.697 6.8873  149.867 3.7385  -10.17009      7.836562  
1 1 1 2   56  17 o 148.839 3.4197  12031.77   551.292  12192.21   1069.43  11973.71   643.364  149.239 6.6161  148.400 4.0027  0.8384705      7.732645  
1 1 1 2   56  18 o 165.563 3.4816  14900.82   624.336  14293.61   1253.50  15101.16   720.000  161.168 7.1808  166.574 3.9908  -5.405609      8.215262  
1 1 1 2   56  19 o 53.785  3.8168  1583.04    220.902  1665.48    462.085  1558.62    251.503  54.235  8.1158  53.276  4.3979  0.9591408      9.230748  
1 1 1 2   56  20 o 71.386  3.1710  2771.93    245.178  2753.45    529.744  2776.97    276.584  70.209  7.0622  71.318  3.5922  -1.109123      7.923252  
1 1 1 2   56  21 o 57.500  3.5037  1808.72    217.164  1691.13    477.419  1839.40    243.851  54.314  8.3856  57.916  3.9103  -3.602226      9.252493  
1 1 1 2   56  22 o 34.502  5.4836  671.848    198.064  588.673    419.459  695.714    224.690  32.174  10.485  34.954  6.1599  -2.780327      12.16075  
1 1 1 2   56  23 o 80.434  3.1693  3529.54    276.102  4146.61    603.417  3366.14    310.513  85.939  6.5316  78.455  3.6542  7.483963       7.484304  
1 1 1 2   56  24 o 65.660  3.6681  2369.37    259.822  2594.89    553.060  2305.50    294.323  67.105  7.7520  64.611  4.2291  2.493538       8.830554  
1 1 1 2   56  25 o 75.600  2.7272  3118.90    223.311  2761.75    599.111  3176.52    240.653  68.680  8.2171  76.254  2.9138  -7.574600      8.718404  
1 1 1 2   56  26 o 26.872  7.1751  430.529    212.759  592.269    474.425  389.812    238.037  31.486  11.137  25.677  7.8400  5.808649       13.61986  
1 1 1 2   56  27 o 78.669  3.4807  3420.17    296.575  3890.03    632.192  3287.58    335.821  80.958  7.2878  76.758  4.0538  4.200516       8.339365  
1 1 1 2   56  28 o 15.425  6.8793  -42.6843   233.302  0.0000     0.0000   -42.6843   233.302  ?       ?       15.425  6.8793  0.000000       6.879254  
1 1 1 2   56  29 o 21.235  8.6409  204.880    312.070  0.0000     0.0000   204.880    312.070  ?       ?       21.235  8.6409  0.000000       8.640877  
1 1 1 2   56  30 o 63.927  5.4823  2424.40    375.923  0.0000     0.0000   2424.40    375.923  ?       ?       63.927  5.4823  0.000000       5.482325  
1 1 1 2   56  31 o 32.144  9.5654  766.428    357.699  0.0000     0.0000   766.428    357.699  ?       ?       32.144  9.5654  0.000000       9.565432  
1 1 1 2   57  0  o 251.091 5.2912  34197.30   1438.98  34489.82   1762.16  33611.81   2493.03  252.065 6.4545  248.527 9.2616  3.538849       11.28882  
1 1 1 2   57  1  o 204.335 5.5734  22651.25   1233.47  21835.92   1745.46  23464.60   1743.33  200.432 8.0403  207.800 7.7458  -7.367798      11.16437  
1 1 1 2   57  2  o 214.860 4.6922  25032.33   1091.94  26099.48   1896.18  24502.87   1335.64  219.128 7.9893  212.504 5.8030  6.624268       9.874410  
1 1 1 2   57  3  o 402.127 7.8748  87890.55   3429.84  90108.45   5944.16  86783.55   4199.44  405.738 13.526  399.210 9.7123  6.528687       16.65187  
1 1 1 2   57  4  o 123.698 3.4805  8292.36    466.310  8997.31    809.290  7941.99    570.542  128.766 5.8028  121.032 4.3523  7.733864       7.253588  
1 1 1 2   57  5  o 382.401 7.5380  79468.82   3122.11  82249.00   5411.42  78081.63   3822.46  387.734 12.886  378.700 9.3192  9.034424       15.90244  
1 1 1 2   57  6  o 78.896  3.2161  3373.15    274.822  3089.14    491.489  3502.34    331.486  75.193  6.0871  80.382  3.8075  -5.189133      7.179795  
1 1 1 2   57  7  o 374.796 9.1332  76492.95   3707.55  75528.27   5246.40  77455.34   5240.15  371.367 13.043  376.132 12.863  -4.765411      18.31877  
1 1 1 2   57  8  o 393.032 7.7763  84009.12   3310.33  82324.76   4054.97  87374.53   5731.78  388.636 9.6333  399.232 13.255  -10.59567      16.38619  
1 1 1 2   57  9  o 215.347 4.7405  25156.32   1105.70  24753.45   1356.87  25952.63   1907.63  213.520 5.8672  218.382 8.0651  -4.861542      9.973411  
1 1 1 2   57  10 o 348.667 6.0061  66029.97   2268.17  67987.48   3209.93  64077.96   3205.42  353.305 8.3883  342.939 8.6297  10.36572       12.03482  
1 1 1 2   57  11 o 227.423 4.2647  28054.67   1050.50  28215.31   1490.30  27896.04   1480.99  227.891 6.0378  226.598 6.0343  1.292603       8.536239  
1 1 1 2   57  12 o 296.969 5.2323  47890.29   1682.97  48884.11   2383.14  46901.55   2377.02  299.640 7.3431  293.471 7.4782  6.168152       10.48069  
1 1 1 2   57  13 o 207.384 4.1616  23337.40   934.779  24253.55   1253.84  22191.00   1402.58  211.262 5.4796  201.952 6.4122  9.310440       8.434652  
1 1 1 2   57  14 o 144.932 3.2831  11392.32   515.372  11700.65   740.973  11103.38   717.294  146.770 4.6612  142.978 4.6319  3.792389       6.571222  
1 1 1 2   57  15 f 198.631 4.4849  21439.76   964.864  21135.98   1671.49  21591.57   1181.61  196.526 7.8526  199.166 5.4776  -2.639221      9.574277  
1 1 1 2   57  16 o 135.648 3.1703  9986.02    465.787  9435.50    924.530  10173.28   539.221  131.410 6.4957  136.868 3.6374  -5.458374      7.444771  
1 1 1 2   57  17 o 144.446 3.2576  11331.60   509.650  10801.47   1015.30  11510.17   589.268  140.388 6.6772  145.514 3.7389  -5.126297      7.652721  
1 1 1 2   57  18 o 78.402  2.5775  3336.23    218.872  3399.04    505.719  3321.75    242.788  78.536  5.9904  78.211  2.8661  0.3247299      6.640742  
1 1 1 2   57  19 o 49.989  3.8446  1369.09    206.564  1348.03    448.020  1374.78    232.783  48.451  8.8640  50.015  4.3402  -1.563766      9.869583  
1 1 1 2   57  20 o 94.995  3.0469  4908.00    313.491  5529.14    649.239  4719.15    357.989  100.036 6.0201  93.078  3.5510  6.957970       6.989366  
1 1 1 2   57  21 o 124.928 3.1571  8498.39    427.184  9510.96    875.988  8182.46    489.310  131.159 6.1664  122.463 3.6890  8.696800       7.185602  
1 1 1 2   57  22 o 94.618  3.0629  4877.45    313.896  5372.86    650.852  4727.30    358.322  98.245  6.1474  93.054  3.5552  5.191017       7.101428  
1 1 1 2   57  23 o 31.152  5.8424  555.645    189.890  499.947    443.276  568.163    210.148  30.378  10.763  31.368  6.4020  -0.9898949     12.52323  
1 1 1 2   57  24 o 32.067  1.4016  557.854    48.680   750.491    463.310  555.703    48.951   35.109  10.974  32.004  1.4122  3.104939       11.06494  
1 1 1 2   57  25 o 21.623  7.3482  253.276    205.605  -297.7530  464.618  387.460    229.276  19.767  9.1540  25.718  7.6593  -5.950094      11.93570  
1 1 1 2   57  26 o 22.378  7.2252  286.515    199.442  594.604    471.232  219.284    220.130  31.388  11.100  20.797  7.5580  10.59088       13.42868  
1 1 1 2   57  27 o 22.107  7.8113  274.680    233.321  446.812    477.980  220.833    267.336  28.035  10.924  21.350  8.2109  6.684868       13.66548  
1 1 1 2   57  28 o 17.029  7.4306  12.840     258.450  0.0000     0.0000   12.840     258.450  ?       ?       17.029  7.4306  0.000000       7.430604  
1 1 1 2   57  29 o 32.567  9.1107  724.225    333.976  0.0000     0.0000   724.225    333.976  ?       ?       32.567  9.1107  0.000000       9.110710  
1 1 1 2   57  30 o 57.535  6.2595  2021.06    383.780  0.0000     0.0000   2021.06    383.780  ?       ?       57.535  6.2595  0.000000       6.259521  
1 1 1 2   57  31 o 17.642  8.1589  -101.4363  367.279  0.0000     0.0000   -101.4363  367.279  ?       ?       17.642  8.1589  0.000000       8.158914  
1 1 1 2   58  0  o 32.158  4.7413  572.827    160.186  521.614    183.091  739.966    330.759  30.508  5.7519  36.166  8.5743  -5.658020      10.32486  
1 1 1 2   58  1  o 378.916 7.4579  78008.30   3060.76  78712.52   3748.26  76598.97   5302.52  380.320 9.0993  374.215 13.083  6.105164       15.93583  
1 1 1 2   58  2  o 222.004 5.9133  26746.12   1421.88  26286.25   2009.22  27207.47   2012.46  219.852 8.4378  223.686 8.3065  -3.833725      11.84035  
1 1 1 2   58  3  o 131.266 4.4038  9342.20    626.109  10014.98   881.519  8657.28    889.438  135.842 5.9914  126.106 6.5344  9.736748       8.865346  
1 1 1 2   58  4  o 273.020 6.9106  40486.27   2043.54  41673.50   2893.05  39304.02   2886.96  276.607 9.6565  268.585 9.9240  8.021942       13.84685  
1 1 1 2   58  5  o 77.696  3.9716  3281.00    333.103  2751.45    476.543  3786.94    465.798  70.915  6.2688  83.391  5.1828  -12.47602      8.133837  
1 1 1 2   58  6  o 266.068 6.7678  38452.56   1950.33  39395.58   2762.43  37515.30   2753.97  268.924 9.4840  262.394 9.6903  6.529846       13.55903  
1 1 1 2   58  7  o 110.285 3.3961  6591.95    405.663  6311.78    501.605  7121.63    689.694  107.890 4.2925  114.554 5.5587  -6.663773      7.023182  
1 1 1 2   58  8  o 116.943 3.4495  7412.50    436.918  7366.25    539.472  7500.66    744.870  116.551 4.2735  117.541 5.8509  -0.9902878     7.245393  
1 1 1 2   58  9  o 65.940  3.0964  2356.47    221.141  2141.34    327.745  2536.26    299.625  62.635  4.8694  68.269  4.0706  -5.634182      6.346748  
1 1 1 2   58  10 o 137.697 3.3274  10277.79   496.251  9795.62    694.130  10781.89   709.740  134.362 4.7697  140.971 4.6484  -6.608704      6.660142  
1 1 1 2   58  11 o 170.654 3.5713  15790.11   660.094  15902.05   937.779  15680.17   929.307  171.155 5.0587  169.958 5.0483  1.197464       7.146756  
1 1 1 2   58  12 o 143.154 3.2605  11110.68   505.543  11011.30   722.536  11206.00   707.590  142.427 4.6838  143.691 4.5466  -1.263306      6.527555  
1 1 1 2   58  13 o 201.388 3.9167  22005.60   854.330  21912.35   1211.39  22097.87   1205.04  200.766 5.5709  201.621 5.5182  -0.8553467     7.841246  
1 1 1 2   58  14 o 138.827 3.2084  10453.38   482.428  10735.93   689.088  10181.75   675.625  140.584 4.5255  136.904 4.5564  3.679352       6.421900  
1 1 1 2   58  15 o 15.659  6.2848  62.397     162.595  -49.8474   280.591  119.141    199.506  17.816  7.7590  18.338  7.0819  -0.5223675     10.50500  
1 1 1 2   58  16 o 110.751 2.9632  6656.12    355.453  6048.09    707.350  6861.53    411.134  105.022 6.2466  112.413 3.3767  -7.390114      7.100889  
1 1 1 2   58  17 o 103.328 2.9728  5796.85    332.704  4825.03    673.136  6111.00    382.720  93.554  6.6872  106.056 3.3318  -12.50185      7.471201  
1 1 1 2   58  18 o 130.869 3.1373  9307.13    444.695  10002.25   919.414  9094.85    508.078  134.967 6.2895  129.293 3.6282  5.674118       7.260913  
1 1 1 2   58  19 o 52.649  2.3049  1504.38    131.433  1916.59    461.356  1467.97    137.115  58.387  7.4664  52.001  2.4345  6.385777       7.853282  
1 1 1 2   58  20 o 26.979  2.0563  397.260    59.634   781.587    412.712  389.065    60.266   36.507  10.098  26.692  2.1016  9.814774       10.31403  
1 1 1 2   58  21 o 90.294  2.7841  4434.72    272.280  4589.01    634.477  4399.90    301.449  90.757  6.4975  89.892  3.0961  0.8644180      7.197503  
1 1 1 2   58  22 o 113.704 3.0202  7044.44    371.946  7481.35    786.853  6918.73    422.079  115.845 6.2948  112.577 3.4616  3.267715       7.183770  
1 1 1 2   58  23 o 79.874  3.1287  3482.18    270.667  4094.28    578.631  3310.73    306.236  85.388  6.3011  77.776  3.6353  7.611389       7.274547  
1 1 1 2   58  24 o 32.058  5.5348  587.550    185.232  726.730    450.325  559.207    203.219  34.538  10.823  31.054  6.2582  3.484005       12.50249  
1 1 1 2   58  25 o 30.746  6.5884  554.330    212.803  935.427    477.959  460.106    237.659  38.479  10.947  27.816  7.6498  10.66324       13.35464  
1 1 1 2   58  26 o 45.029  2.3896  1109.86    116.126  1134.17    516.508  1108.56    119.177  41.469  11.225  44.989  2.4550  -3.520271      11.49041  
1 1 1 2   58  27 o 30.056  7.1505  556.468    229.390  1015.69    495.891  431.452    258.737  38.035  11.250  26.301  8.1979  11.73338       13.91985  
1 1 1 2   58  28 o 32.570  8.6194  696.141    308.800  0.0000     0.0000   696.141    308.800  ?       ?       32.570  8.6194  0.000000       8.619385  
1 1 1 2   58  29 o 24.581  8.9132  382.523    305.902  0.0000     0.0000   382.523    305.902  ?       ?       24.581  8.9132  0.000000       8.913169  
1 1 1 2   58  30 o 44.265  8.1583  1298.29    376.730  0.0000     0.0000   1298.29    376.730  ?       ?       44.265  8.1583  0.000000       8.158342  
1 1 1 2   58  31 o 41.788  8.4410  1191.96    368.897  0.0000     0.0000   1191.96    368.897  ?       ?       41.788  8.4410  0.000000       8.440992  
1 1 1 2   59  0  o 105.230 2.8632  5999.72    326.328  6267.60    460.738  5730.08    462.260  107.529 3.9560  102.810 4.1513  4.719185       5.734387  
1 1 1 2   59  1  o 407.621 7.9565  90327.06   3512.76  89314.15   4302.33  92352.61   6084.02  404.927 9.8097  410.634 13.679  -5.707001      16.83315  
1 1 1 2   59  2  o 194.736 4.3607  20560.81   919.755  20165.45   1126.26  21352.40   1593.65  192.796 5.3935  198.231 7.4225  -5.435501      9.175137  
1 1 1 2   59  3  o 33.060  4.7055  604.608    163.739  721.014    200.793  373.558    282.888  36.075  5.2967  26.623  8.6059  9.451523       10.10526  
1 1 1 2   59  4  o 56.265  4.4863  1727.51    271.126  1659.56    373.918  1802.83    393.707  54.916  6.4069  57.261  6.4611  -2.344517      9.099142  
1 1 1 2   59  5  o 55.635  3.4215  1683.83    205.173  1528.49    251.820  1990.57    353.868  52.907  4.4354  60.322  5.4759  -7.414345      7.046845  
1 1 1 2   59  6  f 141.161 3.6564  10800.94   559.028  10958.00   685.979  10490.40   964.584  142.152 4.4554  138.986 6.4077  3.166092       7.804411  
1 1 1 2   59  7  o 217.069 4.7566  25558.71   1118.31  25377.27   1371.63  25918.46   1931.39  216.207 5.8573  218.247 8.1705  -2.040298      10.05314  
1 1 1 2   59  8  o 168.224 3.4782  15339.74   633.740  15606.87   900.493  15077.60   892.052  169.605 4.9020  166.702 4.9406  2.903091       6.959806  
1 1 1 2   59  9  o 326.028 5.6511  57715.63   1995.54  60059.73   2824.86  55380.61   2819.38  332.177 7.8516  318.910 8.1623  13.26712       11.32568  
1 1 1 2   59  10 o 249.462 4.5643  33763.70   1233.24  35120.58   1744.64  32408.61   1743.49  254.209 6.3364  244.161 6.5928  10.04767       9.144171  
1 1 1 2   59  11 o 346.740 5.9970  65345.14   2252.21  65023.11   3186.76  65666.51   3183.46  345.253 8.5220  346.972 8.4710  -1.718903      12.01595  
1 1 1 2   59  12 o 226.092 4.2448  27739.91   1039.48  28023.80   1474.33  27459.29   1465.79  227.014 5.9961  224.712 6.0225  2.302170       8.498460  
1 1 1 2   59  13 o 200.159 3.9066  21741.28   846.932  21761.22   1203.84  21721.73   1191.74  200.040 5.5562  199.866 5.5052  0.1739655      7.821708  
1 1 1 2   59  14 o 110.721 3.0416  6649.13    364.759  6836.06    532.083  6483.40    501.011  112.175 4.3794  109.254 4.2339  2.920441       6.091381  
1 1 1 2   59  15 o 107.994 3.3830  6330.64    395.709  6362.10    689.749  6315.20    483.123  107.843 5.9279  107.800 4.1378  0.4315948E-01  7.229191  
1 1 1 2   59  16 o 84.402  2.8532  3865.85    260.824  3846.12    524.922  3872.31    300.552  83.715  5.8256  84.444  3.2861  -0.7292557     6.688468  
1 1 1 2   59  17 o 120.071 3.0290  7830.03    393.924  7684.62    785.852  7878.83    455.250  118.266 6.1562  120.388 3.4914  -2.121780      7.077357  
1 1 1 2   59  18 o 24.643  6.0423  346.447    160.037  980.610    412.423  234.030    173.643  41.094  9.4616  20.890  6.7414  20.20453       11.61763  
1 1 1 2   59  19 o 120.158 3.1603  7852.46    411.296  7393.87    841.121  7996.57    471.511  115.533 6.7511  121.179 3.5925  -5.646523      7.647453  
1 1 1 2   59  20 o 69.989  3.2798  2667.47    248.631  2674.27    526.435  2665.52    282.073  69.032  7.1442  69.807  3.7444  -0.7751770     8.065967  
1 1 1 2   59  21 o 159.296 3.4838  13840.74   601.082  14276.37   1209.85  13697.98   692.609  160.075 6.9781  158.278 4.0401  1.796341       8.063317  
1 1 1 2   59  22 o 104.862 3.0563  5994.04    347.130  5793.60    721.690  6054.37    395.941  101.700 6.5872  105.289 3.4720  -3.588837      7.446161  
1 1 1 2   59  23 o 62.342  3.3871  2130.89    227.852  2284.28    504.170  2091.52    255.425  63.099  7.5256  61.653  3.8442  1.445427       8.450549  
1 1 1 2   59  24 o 46.626  4.2442  1207.30    211.987  1419.35    461.204  1150.50    238.696  48.651  9.0866  45.306  4.9446  3.345505       10.34478  
1 1 1 2   59  25 f 37.433  1.3193  760.344    53.490   -532.4354  455.195  778.446    53.863   17.591  8.4180  37.876  1.3130  -20.28484      8.519803  
1 1 1 2   59  26 o 29.088  6.9519  509.554    216.036  970.261    489.247  397.967    240.781  38.153  11.143  25.704  7.8914  12.44919       13.65417  
1 1 1 2   59  27 o 14.621  2.1658  119.348    33.260   493.598    479.283  117.537    33.340   28.366  10.970  14.503  2.1908  13.86297       11.18691  
1 1 1 2   59  28 o 46.190  7.4362  1325.25    359.393  0.0000     0.0000   1325.25    359.393  ?       ?       46.190  7.4362  0.000000       7.436176  
1 1 1 2   59  29 o 53.941  7.1055  1812.77    405.025  0.0000     0.0000   1812.77    405.025  ?       ?       53.941  7.1055  0.000000       7.105451  
1 1 1 2   59  30 o 24.981  9.8120  410.859    388.117  0.0000     0.0000   410.859    388.117  ?       ?       24.981  9.8120  0.000000       9.812016  
1 1 1 2   59  31 o 35.163  10.756  978.735    447.766  0.0000     0.0000   978.735    447.766  ?       ?       35.163  10.756  0.000000       10.75570  
1 1 1 2   60  0  o 243.338 4.7273  32111.65   1245.93  33001.62   1901.63  31442.26   1649.22  246.470 7.1235  240.656 6.3272  5.813568       9.527693  
1 1 1 2   60  1  o 86.242  2.8074  4029.91    262.237  4036.40    367.752  4023.20    374.047  86.291  3.9348  86.149  4.0087  0.1427231      5.617142  
1 1 1 2   60  2  o 228.373 4.8617  28286.32   1202.55  27373.55   1470.97  30125.71   2088.14  224.567 6.0477  235.360 8.1914  -10.79291      10.18199  
1 1 1 2   60  3  o 310.621 6.3152  52384.83   2124.65  51020.21   2602.38  55112.65   3679.36  306.337 7.8433  317.854 10.687  -11.51666      13.25670  
1 1 1 2   60  4  o 194.331 4.3983  20477.33   925.765  20457.38   1135.43  20516.89   1598.98  194.174 5.3988  194.275 7.5990  -0.1008148     9.321568  
1 1 1 2   60  5  o 118.836 3.4059  7653.78    438.375  7678.08    537.840  7605.68    756.644  119.001 4.1729  118.368 5.9018  0.6324005      7.228015  
1 1 1 2   60  6  o 228.383 4.9539  28296.00   1225.42  26809.26   1501.99  31255.75   2119.22  222.189 6.2413  239.673 8.1637  -17.48401      10.27617  
1 1 1 2   60  7  o 204.223 3.9095  22612.60   864.771  22888.45   1225.21  22338.76   1220.75  205.349 5.5087  202.864 5.5558  2.484787       7.823869  
1 1 1 2   60  8  o 314.154 5.5031  53577.81   1872.47  54554.55   2650.00  52603.90   2646.16  316.629 7.7272  310.891 7.8585  5.737762       11.02115  
1 1 1 2   60  9  o 24.769  5.7995  346.613    152.843  442.897    242.955  283.548    196.627  28.098  7.7376  22.929  7.1465  5.168520       10.53289  
1 1 1 2   60  10 o 142.629 3.2648  11028.05   504.348  10695.77   720.356  11347.55   706.360  140.385 4.7376  144.614 4.5097  -4.228653      6.540773  
1 1 1 2   60  11 o 111.128 3.0056  6694.36    361.766  7072.16    528.080  6360.25    496.599  114.165 4.2707  108.268 4.2348  5.896774       6.014343  
1 1 1 2   60  12 o 159.825 3.4368  13853.68   594.941  13662.95   845.118  14041.07   837.677  158.599 4.9198  160.789 4.8101  -2.190262      6.880476  
1 1 1 2   60  13 o 50.803  3.5871  1407.35    196.112  1382.62    295.689  1426.78    262.039  50.112  5.5405  51.018  4.7985  -0.9058266     7.329535  
1 1 1 2   60  14 o 101.263 2.8543  5561.45    313.059  6133.25    476.672  5127.73    415.143  106.254 4.1419  97.169  3.9446  9.085464       5.719722  
1 1 1 2   60  15 o 56.430  3.7856  1737.72    230.034  979.711    383.777  2162.76    287.379  41.415  8.8256  62.928  4.2411  -21.51321      9.791771  
1 1 1 2   60  16 o 10.875  4.9409  -77.0751   126.847  -86.4562   259.295  -74.1237   145.438  16.478  7.3061  11.894  5.3579  4.583482       9.060140  
1 1 1 2   60  17 o 86.558  2.8576  4068.47    267.907  4143.66    537.008  4043.56    309.123  86.813  5.7436  86.253  3.3089  0.5609360      6.628580  
1 1 1 2   60  18 o 34.698  2.1369  655.632    79.918   974.364    435.785  644.539    81.297   40.857  9.9421  34.397  2.1936  6.459709       10.18123  
1 1 1 2   60  19 o 77.521  3.1525  3269.08    264.695  2821.38    563.250  3395.98    299.871  70.935  7.4419  78.969  3.5060  -8.033417      8.226444  
1 1 1 2   60  20 o 77.167  3.0796  3241.05    257.389  3818.55    556.669  3084.01    290.283  82.895  6.2460  75.210  3.5635  7.684967       7.191006  
1 1 1 2   60  21 o 68.071  3.3623  2526.88    247.900  2009.86    524.315  2675.74    281.332  59.128  8.4253  69.895  3.7297  -10.76678      9.213937  
1 1 1 2   60  22 o 85.897  3.1351  4024.61    291.676  3504.77    617.190  4174.10    330.967  78.606  7.3339  87.401  3.4962  -8.795074      8.124669  
1 1 1 2   60  23 f 25.937  1.6348  366.596    45.691   629.251    419.422  363.441    45.965   32.601  10.473  25.823  1.6521  6.777855       10.60220  
1 1 1 2   60  24 o 36.034  5.1394  734.843    194.896  1110.84    437.486  641.746    217.691  42.614  9.6967  33.291  6.2674  9.323620       11.54585  
1 1 1 2   60  25 o 61.492  3.7176  2089.25    246.436  2058.86    515.689  2098.25    280.542  58.803  8.3298  61.442  4.2416  -2.638626      9.347531  
1 1 1 2   60  26 o 32.395  6.4441  624.691    218.144  360.692    473.865  695.683    245.731  26.949  10.760  34.023  6.9042  -7.074829      12.78442  
1 1 1 2   60  27 o 60.330  4.9286  2084.63    319.241  0.0000     0.0000   2084.63    319.241  ?       ?       60.330  4.9286  0.000000       4.928585  
1 1 1 2   60  28 o 45.478  6.9822  1270.52    332.931  0.0000     0.0000   1270.52    332.931  ?       ?       45.478  6.9822  0.000000       6.982151  
1 1 1 2   60  29 o 34.457  10.046  860.569    397.973  0.0000     0.0000   860.569    397.973  ?       ?       34.457  10.046  0.000000       10.04599  
1 1 1 2   60  30 f 25.230  9.5415  433.125    357.230  0.0000     0.0000   433.125    357.230  ?       ?       25.230  9.5415  0.000000       9.541464  
1 1 1 2   61  0  o 196.661 5.4154  20984.00   1153.51  20772.61   1630.66  21195.73   1631.96  195.481 7.7018  197.469 7.6303  -1.987747      10.84152  
1 1 1 2   61  1  o 335.723 5.7944  61169.95   2106.99  62230.29   2980.68  60110.95   2978.79  338.267 8.1355  332.433 8.2730  5.833954       11.60303  
1 1 1 2   61  2  o 105.745 2.8929  6058.92    331.330  6066.25    470.098  6051.67    467.060  105.780 4.1031  105.653 4.0815  0.1265640      5.787437  
1 1 1 2   61  3  o 97.009  2.7775  5099.07    291.838  5218.32    394.099  4954.29    434.260  98.117  3.7084  95.591  4.1943  2.526634       5.598647  
1 1 1 2   61  4  o 119.335 3.0048  7716.94    388.378  7606.49    551.598  7825.52    546.930  118.440 4.2999  120.136 4.2033  -1.696526      6.013013  
1 1 1 2   61  5  f 228.471 4.2681  28305.05   1056.17  27967.87   1493.47  28642.40   1493.84  226.955 6.0756  229.682 6.0049  -2.727478      8.542343  
1 1 1 2   61  6  o 128.711 3.0734  8978.01    428.461  8540.67    608.113  9409.14    603.780  125.488 4.4742  131.724 4.2320  -6.236137      6.158574  
1 1 1 2   61  7  o 227.164 4.2635  27986.46   1048.99  26790.90   1484.89  29177.53   1482.10  222.083 6.1732  231.794 5.9034  -9.710968      8.541592  
1 1 1 2   61  8  o 427.615 7.2621  99461.28   3363.44  100000.20  4757.88  98922.94   4755.36  427.836 10.268  425.507 10.318  2.329071       14.55639  
1 1 1 2   61  9  o 316.659 5.5345  54455.20   1898.21  55742.09   2687.05  53173.23   2681.90  319.949 7.7540  312.451 7.9248  7.497406       11.08726  
1 1 1 2   61  10 o 199.532 3.8795  21593.94   838.421  21791.21   1190.44  21399.77   1181.03  200.288 5.4876  198.480 5.4938  1.807770       7.765024  
1 1 1 2   61  11 o 45.424  3.8282  1127.21    186.587  1099.06    284.695  1148.41    247.040  44.551  6.0570  45.703  5.0764  -1.151466      7.903001  
1 1 1 2   61  12 o 150.193 3.4198  12235.76   556.312  12162.73   770.112  12315.46   804.504  149.634 4.7517  150.553 4.9337  -0.9185944     6.849828  
1 1 1 2   61  13 o 184.006 3.8747  18381.22   772.221  18786.92   1042.94  17888.90   1148.90  185.845 5.1813  181.239 5.8528  4.605972       7.816681  
1 1 1 2   61  14 o 158.063 3.4421  13561.99   589.279  12859.79   843.220  14232.29   823.851  153.706 5.0650  161.758 4.7023  -8.051147      6.911309  
1 1 1 2   61  15 o 32.716  5.1976  597.621    178.015  372.089    311.780  706.705    216.833  26.813  9.0491  35.522  5.8388  -8.709454      10.76927  
1 1 1 2   61  16 o 31.160  1.3190  526.092    44.516   -189.3814  290.573  543.288    45.048   16.216  7.4102  31.665  1.3135  -15.44879      7.525716  
1 1 1 2   61  17 o 89.059  2.9714  4308.73    286.619  4299.68    629.091  4311.10    321.979  88.183  6.6352  89.047  3.3384  -0.8638916     7.427657  
1 1 1 2   61  18 o 22.224  6.5782  276.324    169.503  602.792    414.814  210.886    185.716  32.790  10.403  20.374  6.9835  12.41613       12.52929  
1 1 1 2   61  19 o 94.437  2.8030  4847.99    286.704  5104.31    663.015  4789.04    317.970  95.937  6.4177  93.818  3.1292  2.119499       7.139928  
1 1 1 2   61  20 o 76.489  2.6567  3180.68    220.093  3296.84    564.731  3159.88    238.991  76.751  6.8659  76.210  2.8953  0.5407562      7.451410  
1 1 1 2   61  21 o 47.936  2.2592  1248.53    117.297  1446.27    461.375  1234.87    121.282  49.778  8.8833  47.667  2.3492  2.111576       9.188656  
1 1 1 2   61  22 o 47.608  1.9812  1231.16    102.158  760.579    453.682  1256.29    104.851  35.579  10.815  48.089  2.0130  -12.50995      11.00045  
1 1 1 2   61  23 o 36.674  5.0436  757.918    195.039  371.548    441.807  851.442    217.366  27.863  10.593  38.831  5.3072  -10.96779      11.84841  
1 1 1 2   61  24 o 50.846  3.8235  1428.60    209.029  1669.86    474.752  1370.59    232.809  53.066  8.5505  49.645  4.3744  3.421413       9.604530  
1 1 1 2   61  25 o 20.833  7.1063  237.141    192.296  329.044    423.789  213.313    215.789  26.332  10.279  20.571  7.4820  5.760765       12.71349  
1 1 1 2   61  26 o 55.225  4.2550  1714.06    252.549  1921.71    507.247  1645.62    291.208  55.513  8.7241  53.702  5.0665  1.811253       10.08862  
1 1 1 2   61  27 f 17.841  7.5196  74.658     248.182  0.0000     0.0000   74.658     248.182  ?       ?       17.841  7.5196  0.000000       7.519644  
1 1 1 2   61  28 o 27.250  8.9841  490.384    307.623  0.0000     0.0000   490.384    307.623  ?       ?       27.250  8.9841  0.000000       8.984077  
1 1 1 2   61  29 o 24.874  9.7432  387.128    381.792  0.0000     0.0000   387.128    381.792  ?       ?       24.874  9.7432  0.000000       9.743249  
1 1 1 2   61  30 o 25.965  9.9225  467.780    388.867  0.0000     0.0000   467.780    388.867  ?       ?       25.965  9.9225  0.000000       9.922475  
1 1 1 2   62  0  o 173.590 4.9744  16345.93   935.276  16860.42   1325.74  15836.18   1319.64  176.163 6.9483  170.713 7.1370  5.449707       9.960691  
1 1 1 2   62  1  o 210.200 5.6641  23979.67   1289.54  24057.84   1825.41  23901.81   1821.96  210.316 8.0134  209.632 8.0244  0.6843414      11.34045  
1 1 1 2   62  2  o 342.345 5.9048  63621.05   2189.49  65467.21   3097.49  61777.46   3095.33  346.887 8.2443  336.924 8.4821  9.962585       11.82854  
1 1 1 2   62  3  o 563.694 9.3827  173136.30  5728.53  175952.41  8102.55  170321.80  8100.17  566.566 13.204  557.317 13.419  9.249207       18.82586  
1 1 1 2   62  4  o 426.180 7.1682  98726.59   3308.84  102943.40  4681.33  94516.69   4677.49  434.444 9.9487  416.154 10.377  18.29080       14.37590  
1 1 1 2   62  5  o 128.439 3.0744  8940.15    427.684  8814.82    603.565  9066.55    606.115  127.490 4.3710  129.299 4.3280  -1.809418      6.151202  
1 1 1 2   62  6  o 222.890 4.1643  26941.12   1005.31  27419.84   1423.39  26464.64   1420.06  224.712 5.8482  220.755 5.9392  3.958084       8.335225  
1 1 1 2   62  7  o 152.502 3.2954  12606.11   544.316  12827.55   775.933  12391.55   763.770  153.767 4.6590  151.131 4.6659  2.636200       6.593703  
1 1 1 2   62  8  o 34.953  4.2929  672.655    159.103  583.401    244.309  738.385    209.656  32.119  7.2007  36.475  5.4760  -4.356491      9.046412  
1 1 1 2   62  9  o 164.126 3.4472  14605.10   612.790  14792.02   872.244  14422.93   861.096  165.076 4.8785  163.004 4.8773  2.072403       6.898395  
1 1 1 2   62  10 o 103.410 2.9589  5796.75    331.408  5944.48    481.127  5663.38    457.155  104.666 4.2441  102.167 4.1313  2.499374       5.922789  
1 1 1 2   62  11 o 275.804 4.9198  41321.17   1469.66  42784.41   2082.20  39868.53   2074.65  280.241 6.8600  270.470 7.0820  9.770874       9.859704  
1 1 1 2   62  12 o 125.350 3.0988  8521.50    420.717  8767.52    605.038  8291.17    585.416  127.055 4.3966  123.557 4.3745  3.497978       6.202158  
1 1 1 2   62  13 o 59.508  3.2811  1927.30    210.658  1492.48    314.481  2281.21    283.720  52.043  5.6709  64.679  4.0708  -12.63584      6.980719  
1 1 1 2   62  14 o 67.317  3.1353  2459.38    228.596  2796.47    345.103  2195.83    305.140  71.565  4.4747  63.382  4.4736  8.182800       6.327448  
1 1 1 2   62  15 o 84.407  3.0012  3867.60    274.371  3775.22    408.670  3943.42    370.214  83.141  4.5556  85.150  4.0142  -2.009453      6.071835  
1 1 1 2   62  16 o 102.175 2.9151  5669.03    322.598  5595.17    643.383  5693.84    372.856  100.916 5.9120  102.353 3.3633  -1.436478      6.801786  
1 1 1 2   62  17 o 16.355  6.2043  105.033    151.339  185.667    406.258  92.040     163.077  24.866  9.9506  16.389  6.3821  8.476954       11.82140  
1 1 1 2   62  18 f 80.949  3.1025  3563.23    272.011  3454.11    584.792  3593.36    307.275  78.775  6.9243  81.246  3.4919  -2.470642      7.754905  
1 1 1 2   62  19 o 59.474  3.4382  1933.29    220.536  2091.93    505.465  1896.00    245.095  60.756  7.8659  58.824  3.8685  1.931850       8.765721  
1 1 1 2   62  20 o 19.865  6.5872  209.320    165.289  812.463    410.737  92.771     180.554  37.040  10.003  16.925  6.6781  20.11527       12.02751  
1 1 1 2   62  21 o 32.839  5.5266  611.342    189.591  698.194    430.082  590.393    211.221  34.401  10.544  32.068  6.3060  2.333515       12.28607  
1 1 1 2   62  22 o 81.751  3.2395  3649.54    286.841  3262.98    598.323  3764.90    326.850  75.681  7.3937  82.943  3.6383  -7.262032      8.240354  
1 1 1 2   62  23 o 48.858  3.9238  1319.30    205.887  1593.97    474.912  1255.73    228.474  51.864  8.7667  47.510  4.4934  4.354546       9.851198  
1 1 1 2   62  24 o 29.607  5.8529  507.739    181.034  933.377    435.090  418.621    199.086  38.683  10.228  26.641  6.8587  12.04243       12.31504  
1 1 1 2   62  25 o 41.645  4.4906  975.864    199.349  1106.08    463.664  946.333    220.798  41.449  10.357  40.781  5.1111  0.6678581      11.54978  
1 1 1 2   62  26 o 47.870  4.5015  1299.19    230.657  773.598    488.277  1450.17    261.697  33.493  11.324  50.419  4.8521  -16.92648      12.32000  
1 1 1 2   62  27 o 29.655  9.0921  579.394    319.753  0.0000     0.0000   579.394    319.753  ?       ?       29.655  9.0921  0.000000       9.092146  
1 1 1 2   62  28 o 18.886  8.3048  32.125     328.418  0.0000     0.0000   32.125     328.418  ?       ?       18.886  8.3048  0.000000       8.304804  
1 1 1 2   62  29 o 20.214  8.6969  125.798    344.004  0.0000     0.0000   125.798    344.004  ?       ?       20.214  8.6969  0.000000       8.696880  
1 1 1 2   62  30 o 19.934  8.6693  112.904    349.304  0.0000     0.0000   112.904    349.304  ?       ?       19.934  8.6693  0.000000       8.669295  
1 1 1 2   63  0  o 214.273 5.7549  24922.27   1335.60  25224.76   1888.84  24619.79   1888.79  215.324 8.0990  212.714 8.1982  2.609802       11.52411  
1 1 1 2   63  1  o 126.344 4.2449  8655.76    580.888  8444.63    823.588  8864.77    819.427  124.709 6.0974  127.783 5.9206  -3.074257      8.498899  
1 1 1 2   63  2  o 221.652 5.8729  26672.15   1409.92  27934.64   1995.60  25413.87   1992.27  226.580 8.1317  216.066 8.5132  10.51382       11.77280  
1 1 1 2   63  3  o 226.005 4.8883  27710.40   1196.61  28317.33   1466.92  26503.37   2068.69  228.372 5.9305  220.614 8.6575  7.758148       10.49396  
1 1 1 2   63  4  f 237.895 4.3951  30694.05   1132.46  31903.01   1604.46  29493.85   1598.65  242.368 6.1120  233.013 6.3344  9.355438       8.802313  
1 1 1 2   63  5  o 209.680 4.0349  23840.29   916.353  23780.36   1296.24  23900.16   1295.59  209.281 5.7186  209.810 5.7013  -0.5281219     8.075060  
1 1 1 2   63  6  o 172.070 3.5307  16050.59   658.017  16102.97   930.546  15998.21   930.606  172.263 4.9874  171.700 5.0041  0.5624390      7.065074  
1 1 1 2   63  7  o 319.162 5.6168  55318.02   1941.64  52564.00   2746.40  58070.02   2745.39  310.639 8.1628  326.595 7.7611  -15.95575      11.26348  
1 1 1 2   63  8  o 79.882  2.9054  3458.51    251.378  3243.04    366.938  3649.08    345.072  77.187  4.4074  82.027  3.8840  -4.839462      5.874591  
1 1 1 2   63  9  o 204.111 3.9687  22599.46   877.373  22440.10   1243.12  22757.63   1238.48  203.217 5.6478  204.657 5.5872  -1.440094      7.944460  
1 1 1 2   63  10 o 175.521 3.5828  16709.60   681.120  16901.78   970.319  16522.91   956.331  176.390 5.0789  174.404 5.0627  1.986496       7.171209  
1 1 1 2   63  11 o 140.366 3.2333  10685.52   491.559  10946.18   700.811  10433.08   689.662  141.966 4.5577  138.596 4.5943  3.370453       6.471480  
1 1 1 2   63  12 o 78.436  2.9934  3336.71    254.300  3343.73    374.401  3330.70    346.488  78.325  4.4315  78.207  4.1048  0.1177139      6.040502  
1 1 1 2   63  13 o 123.186 3.1193  8233.70    416.184  8087.00    602.939  8367.21    575.187  121.950 4.5648  124.075 4.2801  -2.125473      6.257527  
1 1 1 2   63  14 o 69.280  3.1783  2605.65    238.492  2466.53    367.970  2706.42    313.174  67.086  5.1024  70.429  4.1234  -3.342987      6.560294  
1 1 1 2   63  15 o 124.243 3.0901  8382.82    415.836  8638.06    590.296  8131.37    585.891  125.953 4.3270  122.188 4.4271  3.765335       6.190495  
1 1 1 2   63  16 o 51.596  3.2141  1452.28    178.724  911.679    363.381  1624.78    205.268  39.790  8.6764  54.551  3.4925  -14.76149      9.352888  
1 1 1 2   63  17 o 33.612  1.9598  614.803    71.038   672.805    432.416  613.194    72.017   34.405  10.577  33.565  1.9898  0.8399582      10.76294  
1 1 1 2   63  18 o 113.999 3.0549  7067.59    377.195  6963.30    789.679  7098.42    429.340  112.138 6.5300  114.177 3.4718  -2.039726      7.395541  
1 1 1 2   63  19 o 127.228 3.1363  8810.91    432.186  9448.31    890.724  8614.64    494.266  130.749 6.2898  125.695 3.6306  5.054550       7.262378  
1 1 1 2   63  20 o 101.369 3.1046  5597.25    340.865  5699.32    711.480  5566.85    388.333  101.095 6.5327  101.003 3.5498  0.9208679E-01  7.434820  
1 1 1 2   63  21 o 98.283  3.0736  5266.37    327.186  5390.90    688.490  5230.04    371.859  98.101  6.5168  97.844  3.5089  0.2570496      7.401410  
1 1 1 2   63  22 o 160.064 3.4412  14011.09   596.590  14069.92   1210.36  13992.20   685.670  157.942 7.0753  159.703 3.9640  -1.760895      8.110059  
1 1 1 2   63  23 o 97.094  2.8966  5146.08    304.619  5658.97    688.004  5021.02    339.734  100.126 6.3774  95.802  3.2741  4.324104       7.168717  
1 1 1 2   63  24 o 44.468  4.4163  1104.77    209.892  1438.69    471.002  1022.02    234.459  48.584  9.2894  42.502  5.2017  6.081730       10.64661  
1 1 1 2   63  25 o 24.328  6.9775  354.063    193.404  82.092     439.804  419.266    215.343  22.730  9.8062  26.331  7.2979  -3.601233      12.22381  
1 1 1 2   63  26 o 22.349  7.3170  297.354    204.180  645.215    445.064  204.624    229.789  31.011  10.801  20.207  7.6500  10.80357       13.23536  
1 1 1 2   63  27 o 44.648  7.3340  1230.13    342.342  0.0000     0.0000   1230.13    342.342  ?       ?       44.648  7.3340  0.000000       7.333967  
1 1 1 2   63  28 o 43.287  7.2646  1173.70    328.531  0.0000     0.0000   1173.70    328.531  ?       ?       43.287  7.2646  0.000000       7.264605  
1 1 1 2   63  29 o 23.197  9.4735  296.736    376.817  0.0000     0.0000   296.736    376.817  ?       ?       23.197  9.4735  0.000000       9.473503  
1 1 1 2   63  30 o 28.839  10.141  617.972    392.838  0.0000     0.0000   617.972    392.838  ?       ?       28.839  10.141  0.000000       10.14131  
1 1 1 2   64  0  o 83.421  2.8077  3770.88    253.681  4059.01    358.226  3481.02    359.295  86.527  3.8224  80.014  4.1602  6.512962       5.649589  
1 1 1 2   64  1  o 140.337 4.4691  10681.68   679.310  10651.71   957.522  10712.06   963.887  140.036 6.3131  140.430 6.3372  -0.3945618     8.945083  
1 1 1 2   64  2  o 136.019 4.3806  10034.00   645.360  9801.95    913.709  10265.00   911.649  134.334 6.2799  137.480 6.1223  -3.146561      8.770404  
1 1 1 2   64  3  o 43.702  5.0631  1050.18    235.217  839.815    323.566  1285.94    342.539  38.577  8.0061  48.181  6.7492  -9.603260      10.47138  
1 1 1 2   64  4  o 221.253 5.9102  26583.78   1416.31  27268.98   2000.94  25895.79   2005.00  223.793 8.2550  218.051 8.4896  5.741287       11.84138  
1 1 1 2   64  5  o 201.405 3.8829  21994.74   847.028  21859.06   1199.95  22129.49   1195.82  200.656 5.5213  201.898 5.4685  -1.242172      7.771009  
1 1 1 2   64  6  o 160.719 3.4266  14003.06   596.488  14120.35   846.669  13887.49   840.488  161.307 4.8461  159.971 4.8509  1.335968       6.856769  
1 1 1 2   64  7  o 365.255 6.2829  72520.74   2485.58  74108.61   3516.68  70935.65   3513.61  368.567 8.8094  360.533 8.9978  8.033539       12.59233  
1 1 1 2   64  8  o 180.101 3.6242  17589.79   706.968  18147.03   1004.54  17042.93   995.133  182.812 5.0733  177.153 5.1864  5.659195       7.255120  
1 1 1 2   64  9  o 118.851 2.9463  7657.34    379.267  8219.00    538.256  7103.50    534.493  123.078 4.0377  114.406 4.3134  8.671837       5.908384  
1 1 1 2   64  10 o 88.610  2.9409  4257.00    282.254  4170.37    415.133  4331.48    384.912  87.643  4.3732  89.340  3.9778  -1.696350      5.911677  
1 1 1 2   64  11 o 142.284 3.2274  10981.26   497.363  11355.03   712.187  10625.42   694.887  144.570 4.5483  139.844 4.5877  4.725632       6.460197  
1 1 1 2   64  12 o 130.479 3.1368  9236.47    443.294  9148.18    636.555  9319.60    617.694  129.727 4.5304  130.955 4.3549  -1.228424      6.284089  
1 1 1 2   64  13 o 92.729  2.9772  4665.72    299.022  4555.45    430.028  4768.95    416.077  91.527  4.3379  93.668  4.1012  -2.140648      5.969672  
1 1 1 2   64  14 o 146.313 3.3228  11626.88   526.563  11451.47   752.472  11795.20   737.110  144.978 4.7920  147.169 4.6243  -2.190155      6.659395  
1 1 1 2   64  15 o 158.258 3.4021  13612.24   583.157  13897.07   836.150  13342.48   813.725  159.614 4.8366  156.405 4.8035  3.209564       6.816644  
1 1 1 2   64  16 o 21.951  6.8106  264.376    178.808  131.590    399.479  297.645    199.957  23.875  9.7528  23.253  7.2001  0.6223373      12.12263  
1 1 1 2   64  17 o 53.181  3.6428  1547.06    208.568  2002.63    479.802  1440.92    231.593  59.666  7.5968  51.228  4.2113  8.438545       8.685938  
1 1 1 2   64  18 o 76.416  2.6551  3173.02    219.755  3291.46    575.438  3152.80    237.777  76.769  6.9974  76.149  2.8829  0.6203003      7.568020  
1 1 1 2   64  19 o 155.976 3.5917  13267.32   606.772  13588.32   1190.82  13154.75   705.183  156.319 7.0334  155.115 4.1974  1.203201       8.190634  
1 1 1 2   64  20 o 103.945 3.1440  5887.92    353.960  5693.21    738.249  5946.03    403.344  100.855 6.7979  104.363 3.5683  -3.507805      7.677510  
1 1 1 2   64  21 o 28.140  1.2858  429.373    39.191   -297.8490  516.823  433.578    39.304   21.343  9.8008  28.278  1.2833  -6.934734      9.884461  
1 1 1 2   64  22 f 32.679  1.3959  579.311    49.408   151.924    432.397  584.965    49.734   24.301  10.060  32.838  1.3983  -8.537470      10.15641  
1 1 1 2   64  23 o 97.337  3.1559  5180.74    332.711  5783.10    693.463  5000.62    379.206  101.187 6.3598  95.469  3.6672  5.717430       7.341380  
1 1 1 2   64  24 o 17.957  6.8473  138.105    184.929  -79.5031   427.094  188.317    205.159  20.858  9.3047  19.746  7.2780  1.111931       11.81297  
1 1 1 2   64  25 f 104.941 3.1886  6064.81    362.420  5429.86    757.384  6253.37    412.742  95.699  7.3635  106.327 3.5840  -10.62800      8.189404  
1 1 1 2   64  26 o 48.517  4.7126  1342.81    244.522  1407.57    499.735  1322.43    280.379  45.649  10.346  47.701  5.5294  -2.052170      11.73127  
1 1 1 2   64  27 o 31.672  8.5484  658.183    300.063  0.0000     0.0000   658.183    300.063  ?       ?       31.672  8.5484  0.000000       8.548434  
1 1 1 2   64  28 o 20.118  8.6939  101.734    346.852  0.0000     0.0000   101.734    346.852  ?       ?       20.118  8.6939  0.000000       8.693877  
1 1 1 2   64  29 o 22.763  8.9590  302.822    324.183  0.0000     0.0000   302.822    324.183  ?       ?       22.763  8.9590  0.000000       8.958972  
1 1 1 2   65  0  o 144.959 3.2109  11388.86   504.134  11559.73   712.401  11217.45   713.508  145.986 4.5055  143.805 4.5809  2.181381       6.425304  
1 1 1 2   65  1  o 124.430 3.0277  8390.69    408.050  8273.46    579.285  8506.14    574.880  123.511 4.3303  125.240 4.2380  -1.728592      6.059060  
1 1 1 2   65  2  o 156.649 3.8586  13304.73   654.673  13060.02   1124.53  13430.19   805.193  155.019 6.6975  157.340 4.7249  -2.320953      8.196440  
1 1 1 2   65  3  o 270.421 6.8800  39753.85   2015.09  40113.01   2851.63  39395.61   2847.93  271.127 9.7107  268.675 9.7866  2.451355       13.78675  
1 1 1 2   65  4  o 153.888 4.7174  12848.81   786.286  13424.57   1107.97  12264.65   1116.02  157.165 6.5088  150.193 6.8605  6.972778       9.456791  
1 1 1 2   65  5  o 137.562 4.4312  10265.92   660.224  10189.32   933.538  10342.56   933.857  136.926 6.2947  137.955 6.2499  -1.029251      8.870437  
1 1 1 2   65  6  o 269.107 4.8460  39305.75   1412.47  39746.16   1999.51  38867.08   1995.56  270.314 6.8295  267.297 6.8929  3.017029       9.703266  
1 1 1 2   65  7  o 343.869 5.9497  64268.36   2215.93  65955.70   3136.10  62586.00   3131.49  347.753 8.3262  338.693 8.5364  9.060852       11.92461  
1 1 1 2   65  8  o 114.342 2.9944  7087.48    370.839  7158.31    529.094  7019.08    519.918  114.853 4.2532  113.732 4.2207  1.120674       5.992008  
1 1 1 2   65  9  o 110.106 2.8944  6572.46    345.175  6909.17    497.777  6260.61    479.062  112.833 4.0731  107.404 4.1181  5.428734       5.792205  
1 1 1 2   65  10 o 280.853 4.9941  42873.15   1519.18  44392.89   2151.32  41361.52   2145.58  285.297 6.9621  275.318 7.1952  9.979187       10.01202  
1 1 1 2   65  11 f 148.338 3.2685  11938.24   525.140  11756.47   750.468  12112.64   735.090  147.059 4.7116  149.289 4.5461  -2.230576      6.547275  
1 1 1 2   65  12 o 71.131  3.0757  2745.31    236.960  2601.66    352.013  2864.34    320.432  68.994  4.7393  72.489  4.0981  -3.494446      6.265403  
1 1 1 2   65  13 o 46.951  3.6398  1204.77    183.650  1057.71    278.090  1318.52    244.568  43.596  6.0526  48.996  4.6650  -5.399235      7.641708  
1 1 1 2   65  14 f 24.578  1.2406  328.131    32.919   203.607    243.417  330.451    33.224   21.519  7.9282  24.665  1.2477  -3.146366      8.025808  
1 1 1 2   65  15 o 60.068  3.2945  1966.84    213.521  1660.08    324.673  2200.64    283.440  54.817  5.5446  63.433  4.1484  -8.615627      6.924731  
1 1 1 2   65  16 o 48.412  2.3216  1271.81    121.732  917.009    431.521  1302.49    126.885  39.660  10.037  48.990  2.3913  -9.329189      10.31792  
1 1 1 2   65  17 o 114.527 3.1392  7133.45    389.396  6892.64    806.622  7206.63    444.638  111.548 6.7075  115.041 3.5685  -3.493919      7.597704  
1 1 1 2   65  18 o 163.117 3.4869  14496.11   616.039  14693.29   1252.14  14433.14   707.602  162.691 7.1059  162.602 4.0178  0.8857727E-01  8.163138  
1 1 1 2   65  19 o 75.217  3.1759  3081.35    258.736  2802.84    570.666  3153.42    290.287  70.431  7.6013  76.041  3.5246  -5.610298      8.378700  
1 1 1 2   65  20 o 78.734  3.2425  3380.54    276.510  3605.03    594.317  3318.53    312.379  80.056  6.9223  77.927  3.7011  2.129074       7.849572  
1 1 1 2   65  21 o 131.807 3.3093  9487.95    472.439  9697.75    997.937  9427.34    536.351  131.159 7.0507  131.221 3.7738  -0.6182861E-01 7.997113  
1 1 1 2   65  22 o 21.510  7.2092  250.465    197.871  466.478    430.735  192.688    222.767  29.420  10.590  20.413  7.5722  9.007122       13.01861  
1 1 1 2   65  23 o 27.409  6.2697  438.998    182.088  290.874    438.853  469.801    200.127  26.302  10.401  28.283  6.6457  -1.980560      12.34272  
1 1 1 2   65  24 o 10.441  5.0010  -215.1037  161.522  343.920    413.799  -315.5896  175.439  26.399  10.198  10.024  4.8973  16.37425       11.31285  
1 1 1 2   65  25 o 31.377  1.5073  535.341    51.225   338.310    451.964  537.905    51.558   26.127  10.481  31.451  1.5135  -5.324156      10.58992  
1 1 1 2   65  26 o 36.155  6.8392  795.189    258.011  0.0000     0.0000   795.189    258.011  ?       ?       36.155  6.8392  0.000000       6.839241  
1 1 1 2   65  27 o 40.878  7.8437  1058.74    334.653  0.0000     0.0000   1058.74    334.653  ?       ?       40.878  7.8437  0.000000       7.843702  
1 1 1 2   65  28 o 35.610  8.2441  838.074    311.694  0.0000     0.0000   838.074    311.694  ?       ?       35.610  8.2441  0.000000       8.244138  
1 1 1 2   65  29 o 27.765  9.6272  546.512    353.428  0.0000     0.0000   546.512    353.428  ?       ?       27.765  9.6272  0.000000       9.627247  
1 1 1 2   66  0  o 283.427 5.0616  43595.17   1553.83  43543.40   2198.39  43646.85   2196.50  282.959 7.1732  283.297 7.1584  -0.3383789     10.13399  
1 1 1 2   66  1  o 191.342 3.7804  19850.64   783.467  19707.89   1106.82  19994.00   1109.16  190.538 5.3632  191.919 5.3359  -1.380417      7.565445  
1 1 1 2   66  2  o 165.817 3.4576  14905.25   620.976  14858.94   880.160  14951.14   876.238  165.474 4.9109  165.989 4.8739  -0.5151367     6.918921  
1 1 1 2   66  3  o 288.069 5.1479  45044.45   1606.19  44313.57   2272.95  45773.46   2270.04  285.378 7.3536  290.064 7.2255  -4.686401      10.30937  
1 1 1 2   66  4  f 236.215 6.2049  30323.97   1587.50  30954.48   2243.54  29691.75   2246.58  238.256 8.6940  233.309 8.8904  4.946808       12.43484  
1 1 1 2   66  5  o 293.446 7.3687  46876.00   2342.02  48206.65   3312.53  45546.02   3311.70  296.848 10.303  288.455 10.600  8.393127       14.78194  
1 1 1 2   66  6  o 235.074 6.1927  30043.97   1576.73  30339.70   2230.66  29748.69   2228.99  235.771 8.7352  233.447 8.8156  2.324417       12.41041  
1 1 1 2   66  7  o 109.863 2.9545  6542.83    351.565  6546.80    506.852  6539.14    488.057  109.838 4.2605  109.782 4.1046  0.5626678E-01  5.916021  
1 1 1 2   66  8  o 68.814  3.0085  2567.32    224.234  2481.84    339.412  2633.52    298.704  67.444  4.6752  69.553  3.9817  -2.108315      6.140931  
1 1 1 2   66  9  o 166.322 3.5176  15007.09   633.675  16132.04   865.892  13709.89   929.822  172.332 4.6390  158.782 5.4066  13.54942       7.124073  
1 1 1 2   66  10 o 87.843  2.9226  4184.70    278.064  4094.21    409.052  4262.44    379.133  86.704  4.3698  88.604  3.9506  -1.899834      5.890925  
1 1 1 2   66  11 f 69.911  3.0433  2651.45    230.441  2730.24    330.425  2576.84    321.541  70.747  4.3330  68.722  4.3422  2.024567       6.134309  
1 1 1 2   66  12 o 35.908  4.3981  711.642    167.474  953.938    260.302  540.505    218.764  41.388  5.9802  30.848  6.7363  10.53984       9.007792  
1 1 1 2   66  13 o 94.700  2.9580  4867.98    303.404  4650.00    441.769  5062.59    417.422  92.425  4.4130  96.483  3.9944  -4.057907      5.952322  
1 1 1 2   66  14 o 40.849  4.0037  916.646    174.859  1045.47    270.471  824.142    229.198  43.318  5.9197  38.420  5.6790  4.898151       8.203255  
1 1 1 2   66  15 o 122.910 3.1426  8209.33    418.358  8074.03    602.381  8335.39    581.469  121.660 4.5714  123.658 4.3415  -1.997269      6.304455  
1 1 1 2   66  16 o 142.376 3.8634  11042.53   595.769  10276.00   1062.91  11393.67   719.397  136.169 7.2328  144.446 4.5983  -8.276413      8.570761  
1 1 1 2   66  17 o 32.601  5.0158  595.266    171.431  400.943    422.123  633.646    187.598  28.773  10.465  33.590  5.3348  -4.816406      11.74605  
1 1 1 2   66  18 o 157.232 3.4362  13469.89   585.171  13548.34   1190.58  13444.91   671.933  156.182 7.0381  156.932 3.9532  -0.7497406     8.072342  
1 1 1 2   66  19 o 57.785  3.6354  1829.61    226.366  1672.09    506.687  1868.89    253.020  53.639  9.0432  58.327  4.0298  -4.688473      9.900415  
1 1 1 2   66  20 o 123.939 3.2157  8379.16    431.668  7576.44    894.188  8623.08    492.908  116.020 7.1507  125.609 3.6231  -9.588860      8.016173  
1 1 1 2   66  21 o 109.643 3.1264  6561.81    371.277  6506.90    781.528  6577.81    421.930  107.464 6.7488  109.651 3.5527  -2.187836      7.626739  
1 1 1 2   66  22 o 55.604  3.8339  1704.57    229.488  1850.69    510.645  1667.59    256.891  56.034  8.6958  54.853  4.3599  1.180775       9.727532  
1 1 1 2   66  23 o 73.841  3.2806  2987.76    262.372  3091.16    575.013  2960.57    294.855  73.099  7.3629  73.290  3.7267  -0.1901703     8.252303  
1 1 1 2   66  24 o 19.960  2.8021  222.318    58.907   789.580    449.525  212.406    59.419   34.856  10.796  19.480  2.9051  15.37651       11.18002  
1 1 1 2   66  25 o 45.184  5.0838  1171.93    244.475  1348.71    490.125  1113.38    282.070  44.956  10.288  43.469  6.1637  1.486198       11.99339  
1 1 1 2   66  26 f 20.602  8.3657  171.653    291.738  0.0000     0.0000   171.653    291.738  ?       ?       20.602  8.3657  0.000000       8.365722  
1 1 1 2   66  27 o 29.112  8.7393  563.727    297.619  0.0000     0.0000   563.727    297.619  ?       ?       29.112  8.7393  0.000000       8.739302  
1 1 1 2   66  28 o 16.354  7.6682  -207.2010  342.662  0.0000     0.0000   -207.2010  342.662  ?       ?       16.354  7.6682  0.000000       7.668217  
1 1 1 2   66  29 o 20.433  8.6946  152.620    337.050  0.0000     0.0000   152.620    337.050  ?       ?       20.433  8.6946  0.000000       8.694579  
1 1 1 2   67  0  o 82.465  2.8129  3685.45    251.246  3868.82    358.878  3509.19    351.858  84.464  3.9229  80.336  4.0569  4.127472       5.643359  
1 1 1 2   67  1  o 124.993 3.0022  8467.65    406.444  8638.28    577.454  8300.12    572.181  126.195 4.2248  123.699 4.2707  2.496857       6.007293  
1 1 1 2   67  2  o 36.502  3.7205  729.955    145.035  664.536    208.613  791.158    201.780  34.513  5.7854  37.845  5.0485  -3.332230      7.678440  
1 1 1 2   67  3  o 192.788 3.8016  20155.49   793.816  20383.04   1123.75  19928.83   1121.51  193.744 5.3551  191.568 5.4052  2.175674       7.608759  
1 1 1 2   67  4  o 159.523 3.5330  13798.22   610.427  13717.33   899.018  13867.41   831.482  158.939 5.2224  159.840 4.8028  -0.9001465     7.095085  
1 1 1 2   67  5  o 67.294  4.0259  2465.34    292.086  2661.01    413.647  2270.76    412.498  69.770  5.5188  64.359  5.9862  5.411919       8.142019  
1 1 1 2   67  6  o 209.710 5.7050  23903.85   1295.83  23529.70   1837.10  24274.34   1828.09  207.663 8.1677  210.956 8.0009  -3.292160      11.43354  
1 1 1 2   67  7  o 180.272 5.1432  17656.85   1004.22  17448.13   1414.63  17868.87   1425.78  178.907 7.3004  181.056 7.2706  -2.149017      10.30326  
1 1 1 2   67  8  o 259.711 5.4233  36676.01   1525.54  38168.77   1869.72  33703.19   2638.55  264.704 6.5215  247.818 9.8302  16.88589       11.79671  
1 1 1 2   67  9  o 125.241 3.0429  8506.80    412.772  8958.33    585.403  8060.35    582.105  128.436 4.2082  121.812 4.4121  6.624008       6.097168  
1 1 1 2   67  10 o 138.090 3.2173  10346.11   481.206  10873.05   689.659  9846.18    671.750  141.437 4.5020  134.581 4.6084  6.856125       6.442462  
1 1 1 2   67  11 o 54.075  3.2901  1593.01    191.784  1809.32    296.183  1436.83    251.668  57.464  4.8028  51.193  4.5875  6.271309       6.641670  
1 1 1 2   67  12 o 42.741  3.8772  1001.01    177.534  807.593    272.850  1143.01    233.793  37.823  6.9152  45.563  4.8102  -7.740490      8.423674  
1 1 1 2   67  13 f 31.687  1.6492  545.657    56.405   637.862    248.750  540.659    57.913   33.467  7.0833  31.538  1.7017  1.928759       7.284866  
1 1 1 2   67  14 o 26.403  5.5384  395.354    153.328  194.735    229.466  557.182    206.091  20.950  7.7008  31.333  6.2914  -10.38293      9.944064  
1 1 1 2   67  15 o 126.089 3.1552  8641.06    430.893  8960.56    631.752  8363.14    589.218  128.150 4.5515  123.836 4.3930  4.313965       6.325737  
1 1 1 2   67  16 o 154.757 3.9554  13054.91   662.988  13025.55   1177.75  13068.53   802.158  153.484 7.0846  154.603 4.7904  -1.118622      8.552193  
1 1 1 2   67  17 o 117.434 3.0769  7502.19    391.354  6857.07    810.932  7698.05    446.832  111.122 6.7700  118.884 3.4702  -7.762474      7.607600  
1 1 1 2   67  18 o 58.723  3.4997  1886.38    221.583  1427.06    514.434  1991.00    245.526  49.244  9.9868  60.286  3.7793  -11.04248      10.67799  
1 1 1 2   67  19 o 98.385  3.0829  5273.35    328.521  4637.78    701.344  5452.00    371.837  90.821  7.1885  99.966  3.4342  -9.145081      7.966694  
1 1 1 2   67  20 o 122.617 3.1523  8201.13    418.648  9038.87    873.666  7951.44    476.975  127.345 6.3342  120.588 3.6519  6.757057       7.311567  
1 1 1 2   67  21 o 129.026 3.2281  9094.96    451.126  9914.90    929.157  8842.06    516.030  132.989 6.4506  127.025 3.7507  5.964287       7.461808  
1 1 1 2   67  22 o 63.538  3.4812  2217.71    238.657  1591.72    539.977  2369.68    266.053  51.109  10.113  65.609  3.7596  -14.50054      10.78895  
1 1 1 2   67  23 o 27.185  1.7360  403.252    50.848   812.346    454.742  398.073    51.169   35.848  10.812  27.006  1.7589  8.841377       10.95412  
1 1 1 2   67  24 o 22.802  6.7477  308.594    178.370  275.777    447.392  314.796    194.497  25.428  10.347  23.056  7.0948  2.371592       12.54540  
1 1 1 2   67  25 o 20.522  7.4421  226.739    213.268  366.746    447.324  185.553    242.617  26.322  10.472  20.053  7.7913  6.268291       13.05207  
1 1 1 2   67  26 o 44.062  8.2880  1234.24    381.013  0.0000     0.0000   1234.24    381.013  ?       ?       44.062  8.2880  0.000000       8.287972  
1 1 1 2   67  27 o 33.862  8.4018  755.499    306.672  0.0000     0.0000   755.499    306.672  ?       ?       33.862  8.4018  0.000000       8.401807  
1 1 1 2   67  28 o 42.379  7.3573  1141.56    325.458  0.0000     0.0000   1141.56    325.458  ?       ?       42.379  7.3573  0.000000       7.357306  
1 1 1 2   68  0  o 300.505 5.2930  49036.37   1722.77  49969.11   2438.29  48106.57   2434.44  302.953 7.4309  297.225 7.5621  5.727844       10.60204  
1 1 1 2   68  1  o 44.831  3.4986  1096.34    168.536  995.695    229.435  1214.29    248.382  42.525  5.0820  47.038  4.9496  -4.513226      7.094022  
1 1 1 2   68  2  o 178.760 3.6079  17327.80   698.552  17363.74   988.515  17291.95   987.291  178.829 5.1036  178.459 5.1078  0.3704681      7.220547  
1 1 1 2   68  3  o 144.566 3.3074  11330.76   517.872  11313.90   757.616  11345.55   709.511  144.365 4.8453  144.589 4.5306  -0.2237549     6.633465  
1 1 1 2   68  4  o 113.499 2.9641  6982.96    364.386  7008.24    518.687  6958.32    512.016  113.650 4.2137  113.246 4.1744  0.4035187      5.931351  
1 1 1 2   68  5  f 58.261  3.0850  1845.38    193.980  1817.77    280.690  1870.63    268.382  57.691  4.5285  58.557  4.2608  -0.8657684     6.217830  
1 1 1 2   68  6  o 250.801 6.5123  34244.31   1769.03  33878.25   2505.17  34608.40   2498.41  248.778 9.2973  251.480 9.1726  -2.702332      13.06042  
1 1 1 2   68  7  o 242.461 6.3284  32012.03   1661.91  31960.70   2349.86  32063.39   2350.73  241.595 8.9802  241.986 8.9689  -0.3911438     12.69193  
1 1 1 2   68  8  o 218.375 5.8423  25962.11   1381.85  27025.64   1957.70  24906.09   1950.78  222.255 8.1325  213.277 8.4449  8.978149       11.72407  
1 1 1 2   68  9  o 249.920 6.4978  34075.17   1758.89  34225.54   2489.75  33925.35   2485.16  249.549 9.2114  248.443 9.2354  1.106232       13.04392  
1 1 1 2   68  10 o 299.371 5.3106  48809.81   1721.97  49260.77   2439.05  48361.66   2431.45  299.910 7.5086  297.140 7.5550  2.770203       10.65161  
1 1 1 2   68  11 o 44.424  4.0243  1081.47    191.529  1182.09    295.803  1008.83    251.326  46.137  6.0665  42.653  5.5735  3.484116       8.238084  
1 1 1 2   68  12 o 26.314  5.8427  393.115    162.182  765.917    270.741  184.469    202.544  36.766  7.0555  20.068  7.2564  16.69746       10.12108  
1 1 1 2   68  13 o 77.744  2.9936  3282.14    252.076  3226.67    371.334  3329.55    343.293  76.826  4.4821  78.108  4.0720  -1.282494      6.055563  
1 1 1 2   68  14 o 21.943  6.3698  269.754    160.309  225.298    239.287  305.955    215.930  21.919  7.8927  23.702  7.5039  -1.782248      10.89050  
1 1 1 2   68  15 o 161.322 3.4753  14159.49   607.226  15139.91   841.695  13095.39   876.879  166.503 4.6673  154.687 5.2338  11.81607       7.012555  
1 1 1 2   68  16 o 75.688  3.6752  3121.03    301.280  2366.58    540.289  3461.49    362.948  64.785  7.8608  79.522  4.2291  -14.73682      8.926222  
1 1 1 2   68  17 o 57.253  3.4245  1791.77    211.379  1447.58    468.212  1879.88    236.895  50.035  8.9692  58.595  3.7524  -8.559963      9.722477  
1 1 1 2   68  18 f 79.628  2.7022  3448.10    233.052  3092.97    584.548  3515.22    254.122  74.094  7.3822  80.371  2.9193  -6.276749      7.938455  
1 1 1 2   68  19 o 108.540 2.9944  6417.96    352.025  6409.14    772.690  6420.27    395.448  107.012 6.7003  108.475 3.3658  -1.462555      7.498221  
1 1 1 2   68  20 o 75.073  2.7748  3069.99    225.624  3102.99    589.613  3064.32    244.211  73.817  7.4779  74.966  3.0077  -1.148987      8.060066  
1 1 1 2   68  21 o 42.987  2.5338  1009.75    117.449  1518.52    496.892  979.645    120.874  50.380  9.4534  42.322  2.6503  8.058197       9.817883  
1 1 1 2   68  22 o 73.516  2.6529  2947.63    211.238  2454.46    583.766  3021.94    226.593  64.549  8.5611  74.405  2.8117  -9.856010      9.011019  
1 1 1 2   68  23 o 19.742  7.0880  198.692    192.845  -125.8919  455.518  269.570    212.861  20.961  9.4585  22.045  7.4769  -1.084433      12.05680  
1 1 1 2   68  24 o 38.022  5.6754  841.106    226.567  570.248    480.580  918.510    256.909  30.231  11.140  39.509  6.2083  -9.278570      12.75286  
1 1 1 2   68  25 o 52.827  2.4015  1528.52    137.408  0.0000     0.0000   1528.52    137.408  ?       ?       52.827  2.4015  0.000000       2.401515  
1 1 1 2   68  26 o 25.075  8.5013  392.768    275.188  0.0000     0.0000   392.768    275.188  ?       ?       25.075  8.5013  0.000000       8.501320  
1 1 1 2   68  27 o 13.579  6.5024  -299.3568  272.628  0.0000     0.0000   -299.3568  272.628  ?       ?       13.579  6.5024  0.000000       6.502380  
1 1 1 2   68  28 o 46.130  7.5411  1356.84    363.760  0.0000     0.0000   1356.84    363.760  ?       ?       46.130  7.5411  0.000000       7.541078  
1 1 1 2   69  0  o 239.552 4.4259  31141.59   1148.35  31838.11   1625.99  30448.45   1622.04  241.973 6.2041  236.614 6.3292  5.359314       8.862863  
1 1 1 2   69  1  o 243.155 4.4747  32087.66   1178.46  33284.97   1667.94  30894.18   1665.26  247.402 6.2245  238.315 6.4515  9.087341       8.964725  
1 1 1 2   69  2  o 264.132 4.7800  37876.44   1367.48  37788.11   1935.63  37964.46   1932.21  263.490 6.7824  264.110 6.7546  -0.6195374     9.572144  
1 1 1 2   69  3  o 97.080  2.8670  5108.64    301.463  4844.31    427.240  5370.74    425.432  94.486  4.1748  99.497  3.9477  -5.011955      5.745751  
1 1 1 2   69  4  o 64.767  3.0437  2274.17    213.514  2067.26    310.483  2459.81    294.093  61.525  4.6947  67.207  4.0592  -5.682045      6.206214  
1 1 1 2   69  5  o 80.648  2.8330  3525.91    247.460  3808.50    356.158  3262.16    344.077  83.778  3.9250  77.420  4.1181  6.358223       5.689004  
1 1 1 2   69  6  o 108.036 2.9534  6328.61    345.586  6462.01    498.536  6205.21    479.485  109.100 4.2189  106.915 4.1406  2.184914       5.911357  
1 1 1 2   69  7  o 162.678 3.9372  14366.11   693.731  14525.83   1202.14  14286.37   849.443  163.193 6.8012  162.127 4.8374  1.065933       8.346005  
1 1 1 2   69  8  o 178.398 5.1015  17312.38   985.719  18455.19   1394.30  16170.47   1393.74  183.830 7.0027  171.973 7.4826  11.85660       10.24827  
1 1 1 2   69  9  o 83.286  4.0633  3768.54    366.536  3845.50    533.960  3699.96    504.052  83.777  5.9227  82.205  5.6963  1.571938       8.217450  
1 1 1 2   69  10 o 272.002 6.9808  40501.99   2056.58  41067.56   2912.06  39939.23   2904.83  272.436 9.8688  268.600 9.9849  3.836212       14.03898  
1 1 1 2   69  11 f 167.518 3.5349  15245.78   641.369  14870.96   916.089  15606.15   898.239  165.158 5.1212  169.238 4.9003  -4.080841      7.087964  
1 1 1 2   69  12 o 34.925  1.7226  661.124    65.162   434.424    279.340  674.169    67.011   27.938  8.4847  35.267  1.7543  -7.329433      8.664189  
1 1 1 2   69  13 o 25.144  6.1779  360.275    167.041  174.607    266.351  480.642    214.457  21.392  8.2032  28.996  6.9240  -7.604147      10.73469  
1 1 1 2   69  14 o 50.527  3.5230  1395.40    191.596  1201.57    290.469  1544.69    254.915  46.455  5.9065  53.031  4.4800  -6.576599      7.413297  
1 1 1 2   69  15 o 24.020  1.4123  313.801    36.581   333.086    298.228  313.506    36.860   25.537  8.8442  24.008  1.4238  1.529110       8.958060  
1 1 1 2   69  16 o 56.466  4.3684  1752.09    265.088  2018.36    468.146  1626.42    321.617  59.883  7.3736  54.142  5.5636  5.740826       9.237108  
1 1 1 2   69  17 o 169.547 3.5927  15672.27   659.758  15474.91   1328.12  15736.93   760.189  166.709 7.3555  169.712 4.1356  -3.003830      8.438354  
1 1 1 2   69  18 o 173.955 3.6046  16515.79   679.149  16651.16   1372.33  16471.88   781.569  172.570 7.3421  173.501 4.1591  -0.9307709     8.438289  
1 1 1 2   69  19 o 55.131  2.3596  1652.37    140.896  1427.23    509.494  1671.01    146.613  48.932  9.9522  55.434  2.4419  -6.501350      10.24738  
1 1 1 2   69  20 o 116.333 3.0955  7385.10    390.042  7527.30    836.336  7345.57    440.929  115.665 6.7046  115.895 3.5126  -0.2294006     7.569055  
1 1 1 2   69  21 o 115.227 3.1878  7255.10    397.851  7258.12    834.531  7254.21    452.594  113.268 6.8345  115.067 3.6315  -1.799614      7.739370  
1 1 1 2   69  22 o 15.233  6.4571  19.303     184.683  -347.2169  448.642  94.083     202.649  18.910  8.8370  17.455  7.0126  1.454899       11.28134  
1 1 1 2   69  23 o 70.515  3.5198  2740.03    268.826  2167.46    583.232  2894.49    302.923  59.199  9.4111  72.242  3.8857  -13.04275      10.18175  
1 1 1 2   69  24 o 39.028  5.6081  886.294    230.251  985.968    496.398  858.971    259.901  37.753  11.276  37.949  6.5606  -0.1962280     13.04573  
1 1 1 2   69  25 o 37.884  7.1438  877.630    282.374  0.0000     0.0000   877.630    282.374  ?       ?       37.884  7.1438  0.000000       7.143788  
1 1 1 2   69  26 o 25.932  8.9919  427.961    308.316  0.0000     0.0000   427.961    308.316  ?       ?       25.932  8.9919  0.000000       8.991861  
1 1 1 2   69  27 o 22.946  8.2424  321.434    260.807  0.0000     0.0000   321.434    260.807  ?       ?       22.946  8.2424  0.000000       8.242352  
1 1 1 2   69  28 o 17.607  7.7737  16.576     290.512  0.0000     0.0000   16.576     290.512  ?       ?       17.607  7.7737  0.000000       7.773710  
1 1 1 2   70  0  o 142.171 3.1873  10959.21   490.793  11006.74   691.695  10911.02   696.501  142.395 4.4849  141.771 4.5359  0.6243744      6.378749  
1 1 1 2   70  1  o 65.488  2.9233  2324.91    207.353  2316.02    292.007  2333.95    294.493  65.197  4.1568  65.448  4.1761  -0.2510147     5.892313  
1 1 1 2   70  2  o 282.988 5.0565  43503.41   1549.85  43423.87   2192.64  43582.84   2191.00  282.287 7.1715  282.807 7.1529  -0.5207520     10.12885  
1 1 1 2   70  3  o 127.753 3.0321  8848.83    419.549  9097.42    594.234  8601.74    592.434  129.463 4.2378  125.880 4.3452  3.583679       6.069610  
1 1 1 2   70  4  o 85.166  2.8530  3932.32    263.169  3601.40    380.900  4234.58    364.026  81.331  4.3397  88.341  3.8045  -7.010567      5.771227  
1 1 1 2   70  5  o 248.146 4.5573  33446.56   1224.85  33803.64   1734.49  33091.36   1729.91  249.099 6.4288  246.449 6.4808  2.650208       9.128534  
1 1 1 2   70  6  o 180.640 3.6417  17707.96   712.503  18042.43   1012.82  17380.25   1002.53  182.152 5.1337  178.771 5.1776  3.380142       7.291221  
1 1 1 2   70  7  o 65.190  2.9511  2304.89    208.367  2484.73    312.034  2160.16    279.926  67.494  4.2907  62.931  4.1298  4.563301       5.955219  
1 1 1 2   70  8  o 62.408  2.9966  2112.81    202.549  2072.46    289.654  2151.42    283.347  61.596  4.3700  62.785  4.1907  -1.189175      6.054694  
1 1 1 2   70  9  o 210.823 5.7204  24240.45   1306.22  24520.72   1846.86  23959.91   1847.70  211.304 8.0697  208.838 8.1687  2.466156       11.48247  
1 1 1 2   70  10 o 138.822 4.4918  10488.10   675.379  11282.12   975.847  9758.10    935.679  143.646 6.2722  133.551 6.4686  10.09444       9.010152  
1 1 1 2   70  11 o 20.498  7.3703  195.256    208.590  585.443    382.295  29.851     248.906  32.382  9.9439  18.020  7.5594  14.36164       12.49102  
1 1 1 2   70  12 o 99.710  4.3052  5414.98    464.947  5858.44    686.521  5039.25    631.933  103.227 6.1686  95.721  6.1274  7.505280       8.694635  
1 1 1 2   70  13 o 157.983 3.4578  13571.24   591.672  13087.74   842.315  14042.17   831.295  154.796 5.0239  160.404 4.7849  -5.608322      6.937939  
1 1 1 2   70  14 o 61.775  3.4555  2082.50    230.278  2104.43    365.648  2068.09    296.455  61.740  5.5265  61.400  4.4889  0.3393517      7.119823  
1 1 1 2   70  15 o 26.651  6.6847  407.247    192.622  712.978    324.543  240.978    239.336  35.045  8.6117  22.253  7.9061  12.79232       11.69048  
1 1 1 2   70  16 o 101.092 3.1317  5560.77    342.898  5357.27    496.904  5745.77    473.784  98.947  4.6366  102.553 4.2654  -3.606140      6.300130  
1 1 1 2   70  17 o 38.356  4.4464  815.824    181.292  1035.51    426.529  767.383    200.284  41.901  9.6037  37.039  5.1303  4.862598       10.88813  
1 1 1 2   70  18 o 85.698  3.1933  4003.06    296.406  3602.84    604.861  4129.55    340.032  80.029  7.0501  86.964  3.6100  -6.934700      7.920619  
1 1 1 2   70  19 o 21.006  6.6694  243.758    170.484  383.546    428.110  217.412    185.856  28.149  10.486  20.421  6.9862  7.728094       12.60035  
1 1 1 2   70  20 o 49.263  4.1809  1342.38    220.975  759.892    501.193  1482.93    246.195  35.558  11.451  51.729  4.4371  -16.17072      12.28045  
1 1 1 2   70  21 o 43.145  4.4386  1036.80    204.459  721.187    489.074  1103.64    225.070  34.552  11.325  44.441  4.7494  -9.889446      12.28049  
1 1 1 2   70  22 o 72.328  3.3526  2870.00    262.637  3063.26    588.401  2821.91    293.497  72.497  7.6069  71.491  3.8041  1.005348       8.505040  
1 1 1 2   70  23 o 21.858  7.5550  266.331    217.572  146.062    466.030  299.851    246.031  23.996  10.218  23.081  8.0308  0.9150391      12.99584  
1 1 1 2   70  24 o 67.232  2.8640  2484.93    208.556  2123.03    588.019  2537.00    223.058  57.300  9.8286  67.871  3.0343  -10.57121      10.28638  
1 1 1 2   70  25 o 73.308  5.0510  3078.78    398.601  0.0000     0.0000   3078.78    398.601  ?       ?       73.308  5.0510  0.000000       5.050963  
1 1 1 2   70  26 o 18.595  7.8216  97.724     267.628  0.0000     0.0000   97.724     267.628  ?       ?       18.595  7.8216  0.000000       7.821584  
1 1 1 2   70  27 o 24.781  9.0765  391.421    318.367  0.0000     0.0000   391.421    318.367  ?       ?       24.781  9.0765  0.000000       9.076538  
1 1 1 2   70  28 o 31.080  8.6395  656.700    301.330  0.0000     0.0000   656.700    301.330  ?       ?       31.080  8.6395  0.000000       8.639522  
1 1 1 2   71  0  o 97.493  2.8408  5152.84    299.969  5134.62    426.903  5170.60    421.586  97.267  4.0522  97.610  3.9877  -0.3436127     5.685264  
1 1 1 2   71  1  o 66.854  2.8763  2423.13    208.271  2432.99    294.074  2413.22    295.007  66.829  4.0824  66.553  4.1127  0.2759094      5.794836  
1 1 1 2   71  2  o 190.940 3.7500  19781.89   775.525  20218.64   1100.41  19350.87   1093.15  192.856 5.2680  188.661 5.3497  4.195160       7.508082  
1 1 1 2   71  3  o 226.622 4.2504  27884.49   1043.29  27684.97   1478.98  28082.11   1471.92  225.511 6.0552  227.137 5.9831  -1.625702      8.512477  
1 1 1 2   71  4  o 203.626 3.9274  22506.88   866.171  22492.81   1225.26  22520.93   1224.65  203.325 5.5637  203.453 5.5575  -0.1281281     7.863870  
1 1 1 2   71  5  o 194.573 3.7837  20549.63   797.388  21260.04   1130.97  19847.44   1124.41  197.692 5.2819  190.986 5.4357  6.705795       7.579256  
1 1 1 2   71  6  o 154.755 3.3563  12994.87   562.574  13345.38   799.774  12651.57   791.490  156.680 4.7129  152.543 4.7905  4.136871       6.720130  
1 1 1 2   71  7  o 225.241 4.2251  27568.44   1030.76  27906.81   1460.46  27232.59   1454.99  226.238 5.9601  223.476 6.0112  2.762619       8.465024  
1 1 1 2   71  8  o 105.581 2.9250  6047.90    334.492  6219.99    479.558  5884.85    466.788  106.975 4.1389  104.053 4.1419  2.922150       5.855398  
1 1 1 2   71  9  o 171.061 3.5354  15894.06   655.021  16373.69   933.538  15428.95   919.305  173.372 4.9714  168.282 5.0437  5.090393       7.081987  
1 1 1 2   71  10 o 50.325  5.2749  1396.51    283.250  1447.64    432.224  1358.02    374.995  50.651  8.1555  49.229  7.2500  1.422089       10.91214  
1 1 1 2   71  11 o 135.796 4.4443  10044.88   653.678  11020.57   948.524  9162.35    902.101  141.856 6.1735  129.281 6.4425  12.57529       8.922849  
1 1 1 2   71  12 o 49.147  5.1622  1333.54    270.687  1393.18    459.127  1301.77    335.126  49.383  8.9118  48.263  6.5826  1.119759       11.07936  
1 1 1 2   71  13 o 80.656  4.3567  3557.27    379.188  3933.50    578.035  3273.06    502.392  84.380  6.3717  77.002  6.0731  7.378403       8.802362  
1 1 1 2   71  14 o 99.295  3.1628  5361.29    340.154  5623.56    496.872  5129.97    466.650  101.479 4.5206  96.937  4.4446  4.542351       6.339569  
1 1 1 2   71  15 o 52.068  4.0014  1487.37    223.934  1435.28    362.463  1519.53    284.784  50.531  6.7950  52.428  5.0788  -1.896690      8.483279  
1 1 1 2   71  16 o 4.4785  2.1144  -30.9954   26.851   249.985    328.291  -32.8877   26.941   24.195  9.1476  4.4290  2.0990  19.76641       9.385378  
1 1 1 2   71  17 o 127.010 3.1834  8787.54    437.918  7928.69    898.752  9054.93    501.473  119.125 6.9964  128.824 3.5940  -9.698662      7.865576  
1 1 1 2   71  18 o 110.126 3.0586  6608.81    364.824  6913.03    756.033  6516.47    416.529  111.358 6.2941  109.244 3.5203  2.113541       7.211638  
1 1 1 2   71  19 f 131.026 3.2225  9370.75    457.317  9058.01    928.647  9470.87    525.448  126.966 6.7774  131.565 3.6874  -4.598198      7.715596  
1 1 1 2   71  20 o 11.551  5.4274  -175.5001  173.155  -245.5363  438.496  -162.5616  188.472  19.756  9.0556  12.408  5.7748  7.347836       10.74020  
1 1 1 2   71  21 o 48.478  4.2703  1305.39    221.931  1159.44    507.335  1339.93    246.798  43.002  10.883  48.990  4.7092  -5.988136      11.85846  
1 1 1 2   71  22 o 72.369  3.5210  2881.55    275.985  2398.13    594.606  3014.29    311.581  62.928  8.9786  73.784  3.9128  -10.85662      9.794195  
1 1 1 2   71  23 o 63.615  2.6363  2217.31    181.646  1686.62    560.652  2279.55    192.002  50.651  10.562  64.469  2.7497  -13.81744      10.91370  
1 1 1 2   71  24 o 48.454  4.7024  1335.26    243.674  728.002    526.023  1501.18    274.954  32.688  11.709  51.234  5.0194  -18.54559      12.73989  
1 1 1 2   71  25 o 15.862  7.1365  -66.6711   257.092  0.0000     0.0000   -66.6711   257.092  ?       ?       15.862  7.1365  0.000000       7.136540  
1 1 1 2   71  26 o 20.201  8.1513  179.093    275.095  0.0000     0.0000   179.093    275.095  ?       ?       20.201  8.1513  0.000000       8.151262  
1 1 1 2   71  27 o 17.250  7.4555  46.160     255.148  0.0000     0.0000   46.160     255.148  ?       ?       17.250  7.4555  0.000000       7.455461  
1 1 1 2   72  0  o 184.652 3.6931  18502.43   738.611  18175.77   1045.25  18828.23   1043.86  182.822 5.2786  186.089 5.1791  -3.266830      7.395049  
1 1 1 2   72  1  o 123.806 3.0041  8312.17    402.830  8420.65    572.705  8205.94    566.718  124.528 4.2461  122.929 4.2564  1.598656       6.012212  
1 1 1 2   72  2  o 43.016  1.9374  1002.63    90.262   989.411    97.612   1080.65    237.099  42.729  2.1092  44.303  5.0303  -1.574131      5.454609  
1 1 1 2   72  3  o 121.520 3.0014  8008.62    395.043  7893.62    560.226  8122.35    557.136  120.554 4.2905  122.295 4.2061  -1.741074      6.008347  
1 1 1 2   72  4  o 134.835 3.1077  9861.50    453.842  9793.97    644.661  9927.86    639.035  134.260 4.4332  135.182 4.3645  -0.9214020     6.221098  
1 1 1 2   72  5  o 109.092 2.9155  6454.78    344.491  6699.22    496.159  6227.26    478.679  111.054 4.1249  107.070 4.1277  3.983459       5.835481  
1 1 1 2   72  6  o 149.647 3.3108  12153.51   536.626  11789.13   762.715  12510.71   755.149  147.217 4.7834  151.681 4.5965  -4.464188      6.633915  
1 1 1 2   72  7  o 98.414  2.9095  5254.59    310.130  4840.67    444.812  5646.14    432.622  94.353  4.3526  101.940 3.9183  -7.586960      5.856442  
1 1 1 2   72  8  o 82.545  2.8523  3696.97    255.011  3669.00    373.760  3721.34    348.811  82.031  4.2210  82.748  3.8919  -0.7167435     5.741431  
1 1 1 2   72  9  o 41.002  3.9390  922.437    172.775  1090.47    257.310  784.473    233.153  44.374  5.4696  37.439  5.9486  6.934204       8.081006  
1 1 1 2   72  10 o 57.283  3.3148  1788.53    204.786  1934.83    319.129  1686.11    267.012  59.353  5.0111  55.461  4.4833  3.891495       6.723948  
1 1 1 2   72  11 o 99.364  3.0059  5362.05    323.505  5256.72    475.936  5452.51    441.062  98.215  4.4741  100.081 4.0689  -1.866409      6.047575  
1 1 1 2   72  12 f 92.030  4.3749  4616.73    436.080  4428.50    646.486  4773.88    590.703  89.500  6.7181  93.160  5.8845  -3.659729      8.930840  
1 1 1 2   72  13 o 55.810  5.0006  1716.20    299.072  1322.42    481.835  1962.97    381.443  47.783  9.6426  59.507  6.0001  -11.72386      11.35699  
1 1 1 2   72  14 o 142.674 4.7851  11132.77   739.453  10123.51   1069.42  12057.37   1023.58  134.976 7.3427  147.915 6.3891  -12.93906      9.733245  
1 1 1 2   72  15 o 78.436  4.6712  3377.89    395.041  3249.88    630.748  3460.51    506.737  76.022  7.7695  79.059  5.9617  -3.037033      9.793219  
1 1 1 2   72  16 o 58.069  3.9682  1849.98    248.088  1769.63    385.304  1906.88    324.242  56.196  6.4471  58.705  5.1515  -2.509743      8.252437  
1 1 1 2   72  17 o 123.257 3.1830  8278.67    424.928  8052.76    889.057  8345.56    483.761  120.032 6.8670  123.643 3.6124  -3.610985      7.759203  
1 1 1 2   72  18 o 113.868 3.1641  7070.47    390.231  6777.67    817.216  7156.95    444.138  109.875 6.9021  114.451 3.5829  -4.575577      7.776598  
1 1 1 2   72  19 o 54.800  3.7712  1652.12    222.474  1610.75    478.311  1663.54    251.313  52.399  8.7355  54.872  4.2620  -2.473339      9.719718  
1 1 1 2   72  20 o 45.896  4.3426  1169.46    213.305  761.690    481.385  1269.08    237.939  35.425  11.203  47.740  4.6611  -12.31524      12.13378  
1 1 1 2   72  21 o 59.696  3.9548  1970.41    254.257  1875.42    546.461  1996.65    287.243  55.713  9.3898  59.929  4.4572  -4.215607      10.39395  
1 1 1 2   72  22 o 29.593  2.8300  483.849    89.604   1146.17    500.333  461.903    91.076   41.843  10.923  28.883  2.9529  12.96022       11.31495  
1 1 1 2   72  23 o 30.368  6.9997  560.831    225.511  705.599    488.129  521.548    254.273  32.575  11.313  28.970  7.8903  3.605021       13.79275  
1 1 1 2   72  24 o 33.077  7.6234  680.739    267.509  0.0000     0.0000   680.739    267.509  ?       ?       33.077  7.6234  0.000000       7.623406  
1 1 1 2   72  25 o 20.433  8.4399  153.673    303.397  0.0000     0.0000   153.673    303.397  ?       ?       20.433  8.4399  0.000000       8.439890  
1 1 1 2   72  26 o 34.871  8.6565  807.804    325.429  0.0000     0.0000   807.804    325.429  ?       ?       34.871  8.6565  0.000000       8.656502  
1 1 1 2   72  27 o 39.163  8.5534  1018.66    352.655  0.0000     0.0000   1018.66    352.655  ?       ?       39.163  8.5534  0.000000       8.553379  
1 1 1 2   73  0  o 250.308 4.5808  34047.91   1241.90  33786.84   1758.98  34307.41   1753.66  248.905 6.5246  250.834 6.4549  -1.928787      9.178043  
1 1 1 2   73  1  o 31.977  3.8803  563.239    131.638  694.964    175.445  393.559    199.124  35.454  4.6835  26.373  6.8938  9.080603       8.334218  
1 1 1 2   73  2  o 71.117  2.7873  2742.58    214.694  2605.48    306.950  2873.89    300.403  69.141  4.1175  72.656  3.8309  -3.515602      5.624014  
1 1 1 2   73  3  o 46.517  3.3100  1180.02    165.677  1107.32    236.063  1250.59    232.581  44.853  4.9412  47.753  4.5519  -2.899445      6.718284  
1 1 1 2   73  4  o 40.302  3.4553  888.024    149.370  882.524    217.804  892.908    205.237  39.943  5.1547  40.236  4.8045  -0.2929192     7.046567  
1 1 1 2   73  5  o 129.574 3.0861  9109.64    433.110  9045.63    619.477  9170.84    605.774  128.987 4.4341  129.891 4.3059  -0.9042511     6.180787  
1 1 1 2   73  6  o 157.014 3.3803  13384.04   574.863  13699.38   817.485  13075.55   808.546  158.662 4.7570  154.998 4.8162  3.664001       6.769457  
1 1 1 2   73  7  o 85.901  2.8377  4003.71    264.020  4323.48    386.957  3725.19    361.139  89.182  4.0061  82.780  4.0279  6.401894       5.680886  
1 1 1 2   73  8  o 97.658  2.8766  5175.81    304.266  5137.98    441.242  5210.12    420.128  97.185  4.1919  97.888  3.9626  -0.7032776     5.768383  
1 1 1 2   73  9  o 55.137  3.1575  1656.30    187.777  1862.30    280.097  1488.14    253.068  58.311  4.4690  52.078  4.5318  6.233078       6.364642  
1 1 1 2   73  10 o 195.827 3.8739  20862.59   821.659  20811.65   1169.33  20912.28   1154.81  195.125 5.5329  195.623 5.4503  -0.4980316     7.766516  
1 1 1 2   73  11 o 248.287 4.5367  33610.95   1220.00  35329.95   1731.51  31916.23   1719.23  253.765 6.2997  241.050 6.5850  12.71521       9.113143  
1 1 1 2   73  12 o 136.810 3.2083  10174.37   475.413  10314.65   686.325  10044.96   659.167  137.477 4.6093  135.695 4.4850  1.781372       6.431195  
1 1 1 2   73  13 o 194.887 5.5009  20824.53   1161.14  20970.99   1658.11  20683.59   1626.55  194.321 7.8781  193.045 7.7793  1.276260       11.07169  
1 1 1 2   73  14 o 167.066 5.0802  15290.26   919.259  15088.32   1319.84  15480.51   1281.08  164.910 7.3893  167.207 7.0738  -2.296600      10.22940  
1 1 1 2   73  15 o 106.647 4.5397  6222.87    524.382  5793.13    794.609  6554.40    697.936  101.861 7.2497  108.904 5.9394  -7.042839      9.371994  
1 1 1 2   73  16 o 35.504  7.6797  730.777    286.732  31.934     536.595  1010.07    339.223  25.370  10.887  41.868  7.7666  -16.49807      13.37327  
1 1 1 2   73  17 o 68.615  6.2975  2635.07    462.793  0.0000     0.0000   2635.07    462.793  ?       ?       68.615  6.2975  0.000000       6.297512  
1 1 1 2   73  18 o 88.080  3.1754  4232.46    302.930  3878.48    655.319  4328.66    341.621  82.698  7.3942  88.995  3.5441  -6.297379      8.199708  
1 1 1 2   73  19 o 45.540  4.3652  1150.42    212.676  891.234    498.714  1208.03    235.127  38.136  11.282  46.584  4.7255  -8.447472      12.23193  
1 1 1 2   73  20 o 50.961  3.9359  1435.09    215.563  1266.13    517.009  1470.64    237.161  45.171  10.727  51.497  4.2910  -6.326370      11.55355  
1 1 1 2   73  21 o 22.474  1.9267  276.725    46.445   275.861    452.286  276.734    46.692   26.070  10.476  22.473  1.9372  3.596540       10.65311  
1 1 1 2   73  22 o 26.613  7.1507  428.240    210.520  -164.2738  482.271  567.721    233.991  20.922  9.5551  30.628  7.1786  -9.706079      11.95129  
1 1 1 2   73  23 o 15.499  6.7612  -8.7016    213.859  283.487    468.667  -85.5419   240.340  25.562  10.517  15.203  6.8643  10.35976       12.55867  
1 1 1 2   73  24 o 20.027  7.7327  190.809    237.822  0.0000     0.0000   190.809    237.822  ?       ?       20.027  7.7327  0.000000       7.732673  
1 1 1 2   73  25 o 44.604  6.9295  1214.33    323.903  0.0000     0.0000   1214.33    323.903  ?       ?       44.604  6.9295  0.000000       6.929477  
1 1 1 2   73  26 o 22.093  8.4042  274.593    278.172  0.0000     0.0000   274.593    278.172  ?       ?       22.093  8.4042  0.000000       8.404227  
1 1 1 2   73  27 o 23.811  8.5097  355.196    277.667  0.0000     0.0000   355.196    277.667  ?       ?       23.811  8.5097  0.000000       8.509712  
1 1 1 2   74  0  o 13.282  5.3953  37.594     121.389  27.383     168.896  48.503     174.583  15.070  6.2669  15.781  6.4470  -0.7107296     8.990976  
1 1 1 2   74  1  o 45.874  3.2526  1147.65    160.564  1116.52    226.623  1179.02    227.523  45.070  4.7121  46.343  4.5933  -1.273357      6.580466  
1 1 1 2   74  2  o 95.940  2.8206  4992.35    293.096  4907.20    413.637  5078.23    415.370  95.044  4.0181  96.690  3.9663  -1.645927      5.645952  
1 1 1 2   74  3  o 79.167  2.8530  3399.61    244.636  3293.36    353.186  3497.60    339.174  77.733  4.2107  80.243  3.9025  -2.510147      5.741038  
1 1 1 2   74  4  f 88.573  2.8391  4255.73    272.368  4450.52    390.718  4071.59    379.883  90.503  3.9859  86.560  4.0519  3.943321       5.683807  
1 1 1 2   74  5  o 70.206  2.8960  2674.22    220.216  2615.46    324.308  2724.50    299.977  69.215  4.3481  70.699  3.9330  -1.484093      5.862963  
1 1 1 2   74  6  o 194.253 4.0334  20514.30   848.617  20096.58   1276.29  20845.32   1136.15  191.775 6.1445  195.523 5.3650  -3.747452      8.157066  
1 1 1 2   74  7  o 206.173 3.9690  23112.81   886.297  23545.35   1257.97  22686.48   1248.91  207.682 5.5924  203.840 5.6568  3.841782       7.954540  
1 1 1 2   74  8  o 228.833 4.2825  28501.79   1061.43  29319.12   1504.07  27690.91   1498.12  231.531 5.9977  224.954 6.1487  6.577133       8.589485  
1 1 1 2   74  9  o 112.646 2.9534  6889.71    360.337  6896.06    513.500  6883.56    505.775  112.546 4.2125  112.453 4.1526  0.9366608E-01  5.915146  
1 1 1 2   74  10 o 137.262 3.1912  10236.50   474.433  10362.04   683.888  10120.03   658.719  137.864 4.5800  136.267 4.4631  1.596527       6.394985  
1 1 1 2   74  11 o 37.894  4.5881  794.593    184.473  1123.96    287.812  564.935    240.330  44.874  6.0780  31.403  7.2172  13.47172       9.435610  
1 1 1 2   74  12 o 196.902 3.8746  21119.78   826.318  21902.25   1175.85  20356.35   1161.46  199.953 5.4294  192.712 5.5645  7.241089       7.774454  
1 1 1 2   74  13 o 18.354  6.7372  150.076    175.541  321.465    324.257  79.022     208.782  25.682  9.1941  17.594  7.1005  8.087677       11.61672  
1 1 1 2   74  14 o 160.917 3.7068  14114.18   646.054  13521.05   890.482  14773.33   938.744  156.997 5.2368  164.088 5.2820  -7.091141      7.437979  
1 1 1 2   74  15 o 109.513 4.5524  6566.46    539.983  6148.85    816.646  6890.88    719.794  104.879 7.2334  111.597 5.9768  -6.718216      9.383136  
1 1 1 2   74  16 f 160.907 5.0420  14236.29   878.713  14435.97   1281.43  14059.05   1207.26  160.663 7.3639  158.781 7.0199  1.881744       10.17384  
1 1 1 2   74  17 o 90.229  6.0445  4535.89    587.294  0.0000     0.0000   4535.89    587.294  ?       ?       90.229  6.0445  0.000000       6.044498  
1 1 1 2   74  18 o 41.814  5.8633  988.963    258.243  0.0000     0.0000   988.963    258.243  ?       ?       41.814  5.8633  0.000000       5.863260  
1 1 1 2   74  19 o 42.458  2.4288  984.252    111.231  0.0000     0.0000   984.252    111.231  ?       ?       42.458  2.4288  0.000000       2.428850  
1 1 1 2   74  20 o 62.622  2.6200  2138.41    177.707  2066.49    552.813  2146.70    187.667  58.936  8.9408  62.719  2.7626  -3.782650      9.357923  
1 1 1 2   74  21 f 82.461  3.4231  3738.95    305.733  3240.63    643.130  3884.45    347.511  73.859  8.1766  83.893  3.8245  -10.03348      9.026795  
1 1 1 2   74  22 o 41.538  5.0343  985.689    221.864  372.356    507.234  1130.79    246.717  27.494  11.077  44.441  5.2254  -16.94660      12.24806  
1 1 1 2   74  23 o 32.952  6.9020  658.258    238.441  1115.62    605.861  574.436    259.372  39.143  12.588  30.349  7.8363  8.794086       14.82808  
1 1 1 2   74  24 o 55.271  5.6880  1779.74    335.648  0.0000     0.0000   1779.74    335.648  ?       ?       55.271  5.6880  0.000000       5.687994  
1 1 1 2   74  25 o 34.346  9.0084  787.561    339.269  0.0000     0.0000   787.561    339.269  ?       ?       34.346  9.0084  0.000000       9.008410  
1 1 1 2   74  26 o 31.563  9.2022  681.940    333.929  0.0000     0.0000   681.940    333.929  ?       ?       31.563  9.2022  0.000000       9.202172  
1 1 1 2   75  0  o 105.380 2.8728  6024.13    327.893  5982.98    463.171  6065.48    464.251  104.929 4.0755  105.651 4.0570  -0.7226028     5.750555  
1 1 1 2   75  1  o 86.077  2.7455  4018.78    255.967  4002.76    365.796  4034.15    358.306  85.834  3.9347  86.177  3.8388  -0.3425751     5.497085  
1 1 1 2   75  2  f 110.955 2.8889  6678.95    347.181  6811.60    491.428  6546.78    490.548  111.956 4.0527  109.751 4.1267  2.204895       5.783934  
1 1 1 2   75  3  o 126.646 3.0260  8703.66    415.081  8877.46    588.803  8531.96    585.240  127.779 4.2544  125.261 4.3137  2.518158       6.058720  
1 1 1 2   75  4  o 70.952  2.4492  2730.04    188.215  2809.04    237.819  2597.59    307.909  71.943  3.0520  68.998  4.1393  2.945518       5.142823  
1 1 1 2   75  5  o 146.350 3.2405  11628.98   513.656  12037.13   731.784  11232.57   721.170  148.713 4.5432  143.642 4.6354  5.070694       6.490571  
1 1 1 2   75  6  o 76.376  2.9491  3166.14    243.958  3128.83    354.194  3199.80    336.503  75.704  4.3378  76.597  4.0707  -0.8927841     5.948695  
1 1 1 2   75  7  o 86.003  2.8590  4014.59    266.311  3960.05    389.095  4062.65    365.275  85.304  4.2113  86.432  3.9019  -1.127792      5.741050  
1 1 1 2   75  8  o 115.725 2.9883  7271.79    374.565  7462.25    536.036  7090.06    523.613  117.077 4.2272  114.119 4.2363  2.958321       5.984568  
1 1 1 2   75  9  o 19.640  5.9941  211.919    139.165  135.848    217.228  264.875    181.242  19.207  7.3974  22.019  6.8609  -2.812658      10.08929  
1 1 1 2   75  10 o 78.835  3.0175  3376.18    257.652  3588.65    388.341  3209.10    344.361  81.012  4.4428  76.641  4.1641  4.370911       6.089141  
1 1 1 2   75  11 o 95.027  2.9757  4906.60    306.270  5232.59    454.340  4635.10    414.638  97.959  4.2822  92.216  4.1514  5.743271       5.964152  
1 1 1 2   75  12 o 25.822  6.1369  381.171    169.109  609.672    290.501  264.047    207.982  32.484  8.2432  22.328  7.3884  10.15548       11.06970  
1 1 1 2   75  13 o 73.663  3.2499  2952.55    259.294  2843.27    396.456  3034.24    342.769  71.859  5.1275  74.429  4.2698  -2.569321      6.672511  
1 1 1 2   75  14 o 3.2151  1.6287  -102.0431  28.519   430.366    310.141  -106.5835  28.641   27.902  9.0100  ?       ?       0.000000       9.010029  
1 1 1 2   75  15 o 12.301  5.7776  -200.8471  195.937  -67.2488   319.556  -281.3348  248.034  18.607  8.1868  13.512  6.3935  5.095317       10.38750  
1 1 1 2   75  16 o 103.906 3.2851  5886.67    369.708  5722.21    547.551  6024.47    501.210  102.005 4.9560  104.830 4.4143  -2.824860      6.636882  
1 1 1 2   75  17 o 91.875  6.4593  4727.92    638.683  0.0000     0.0000   4727.92    638.683  ?       ?       91.875  6.4593  0.000000       6.459342  
1 1 1 2   75  18 f 19.616  7.2361  176.977    202.863  0.0000     0.0000   176.977    202.863  ?       ?       19.616  7.2361  0.000000       7.236065  
1 1 1 2   75  19 o 66.551  5.2194  2471.28    373.209  0.0000     0.0000   2471.28    373.209  ?       ?       66.551  5.2194  0.000000       5.219446  
1 1 1 2   75  20 o 65.914  4.7500  2423.16    336.837  0.0000     0.0000   2423.16    336.837  ?       ?       65.914  4.7500  0.000000       4.749969  
1 1 1 2   75  21 o 30.213  7.1439  549.664    230.096  0.0000     0.0000   549.664    230.096  ?       ?       30.213  7.1439  0.000000       7.143853  
1 1 1 2   75  22 o 30.894  6.7492  574.818    219.523  844.771    495.818  508.997    244.827  35.286  11.392  28.728  7.7082  6.557661       13.75477  
1 1 1 2   75  23 o 30.014  7.1003  552.821    227.209  358.475    605.162  584.713    245.143  27.919  11.753  30.732  7.4436  -2.813433      13.91213  
1 1 1 2   75  24 o 40.638  7.8608  1035.91    333.487  0.0000     0.0000   1035.91    333.487  ?       ?       40.638  7.8608  0.000000       7.860847  
1 1 1 2   75  25 o 48.567  7.0182  1447.11    358.470  0.0000     0.0000   1447.11    358.470  ?       ?       48.567  7.0182  0.000000       7.018247  
1 1 1 2   75  26 o 22.093  8.6126  262.906    297.232  0.0000     0.0000   262.906    297.232  ?       ?       22.093  8.6126  0.000000       8.612627  
1 1 1 2   76  0  o 145.308 3.2225  11461.79   507.169  11333.34   718.101  11589.62   716.392  144.314 4.5942  145.946 4.5320  -1.631973      6.453293  
1 1 1 2   76  1  o 158.636 3.3729  13664.17   579.520  13583.42   820.575  13744.52   818.560  157.954 4.7964  158.895 4.7563  -0.9409180     6.754843  
1 1 1 2   76  2  o 186.051 3.7055  18806.45   746.704  18886.18   1059.45  18727.76   1052.57  186.141 5.2550  185.361 5.2428  0.7795563      7.423055  
1 1 1 2   76  3  f 113.030 2.9161  6933.02    356.994  7031.86    509.564  6837.73    500.294  113.714 4.1373  112.136 4.1192  1.578621       5.838211  
1 1 1 2   76  4  o 44.849  3.3424  1098.39    161.195  1217.37    229.667  982.865    226.298  47.072  4.5620  42.170  5.0553  4.901566       6.809359  
1 1 1 2   76  5  o 12.648  5.2489  20.765     118.137  -30.7448   170.257  68.593     164.058  13.880  6.0444  15.846  6.3296  -1.965378      8.752062  
1 1 1 2   76  6  o 114.206 3.0080  7081.21    372.083  6797.75    532.062  7352.53    520.538  111.738 4.3964  116.244 4.1344  -4.506096      6.034999  
1 1 1 2   76  7  o 66.707  2.9361  2415.95    212.139  2367.49    316.360  2455.54    285.958  65.777  4.4670  67.068  3.9541  -1.291000      5.965648  
1 1 1 2   76  8  o 48.970  3.3024  1308.93    174.135  1273.38    265.197  1335.87    230.883  48.020  5.1810  49.331  4.3663  -1.311436      6.775504  
1 1 1 2   76  9  o 52.246  3.3402  1489.73    188.027  1419.30    274.063  1552.36    258.444  50.732  5.0550  53.168  4.5311  -2.435917      6.788521  
1 1 1 2   76  10 o 106.440 3.0200  6155.94    348.165  6322.24    503.567  6003.62    481.906  107.682 4.3176  104.946 4.2396  2.735764       6.051121  
1 1 1 2   76  11 o 50.005  3.7726  1369.49    202.823  1235.81    312.118  1467.19    266.843  47.003  6.2885  51.590  4.8318  -4.587017      7.930421  
1 1 1 2   76  12 o 180.188 3.7201  17687.80   726.029  17394.50   1033.94  17973.09   1019.73  178.121 5.3593  181.125 5.1980  -3.003830      7.466022  
1 1 1 2   76  13 o 65.795  3.3582  2362.92    238.518  2271.98    366.192  2429.93    314.344  64.132  5.3199  66.542  4.3861  -2.410263      6.894845  
1 1 1 2   76  14 o 35.941  5.4506  725.811    205.521  736.352    328.768  719.049    263.312  35.499  8.6338  35.373  7.1192  0.1259804      11.19046  
1 1 1 2   76  15 o 72.027  3.4626  2829.60    270.128  2724.38    422.015  2902.63    351.592  70.061  5.6084  72.641  4.4908  -2.580109      7.184787  
1 1 1 2   76  16 f 66.647  3.6666  2433.94    263.660  2299.89    419.247  2521.64    339.115  64.113  6.1114  67.601  4.6600  -3.487549      7.685372  
1 1 1 2   76  17 o 66.800  4.0819  2455.18    293.917  1949.44    562.693  2644.94    344.675  57.569  9.3448  69.191  4.6259  -11.62296      10.42708  
1 1 1 2   76  18 o 96.200  3.2271  5054.12    336.244  4558.12    706.709  5199.26    382.287  89.537  7.3522  97.465  3.6213  -7.928032      8.195658  
1 1 1 2   76  19 o 94.160  4.3998  4891.36    448.709  0.0000     0.0000   4891.36    448.709  ?       ?       94.160  4.3998  0.000000       4.399750  
1 1 1 2   76  20 o 30.845  8.1970  577.632    278.527  0.0000     0.0000   577.632    278.527  ?       ?       30.845  8.1970  0.000000       8.197012  
1 1 1 2   76  21 o 94.576  4.4295  4992.96    453.739  0.0000     0.0000   4992.96    453.739  ?       ?       94.576  4.4295  0.000000       4.429515  
1 1 1 2   76  22 f 69.763  4.6947  2747.06    352.670  0.0000     0.0000   2747.06    352.670  ?       ?       69.763  4.6947  0.000000       4.694705  
1 1 1 2   76  23 o 33.707  2.2959  624.399    83.322   0.0000     0.0000   624.399    83.322   ?       ?       33.707  2.2959  0.000000       2.295945  
1 1 1 2   76  24 o 27.274  9.1057  480.251    315.656  0.0000     0.0000   480.251    315.656  ?       ?       27.274  9.1057  0.000000       9.105663  
1 1 1 2   76  25 o 34.227  8.4440  770.380    311.097  0.0000     0.0000   770.380    311.097  ?       ?       34.227  8.4440  0.000000       8.443987  
1 1 1 2   77  0  o 101.235 2.8576  5561.42    313.335  5476.63    442.697  5646.53    443.549  100.356 4.0728  101.906 4.0186  -1.550262      5.721606  
1 1 1 2   77  1  o 16.564  5.6329  138.215    120.818  160.930    188.342  122.333    157.492  19.076  6.9821  17.097  6.3620  1.979080       9.445878  
1 1 1 2   77  2  o 103.597 2.8467  5824.08    319.420  5521.50    454.253  6120.01    449.245  100.752 4.1627  106.099 3.9093  -5.347626      5.710590  
1 1 1 2   77  3  o 137.315 3.1601  10237.91   469.988  10057.92   669.215  10413.08   660.205  135.914 4.5460  138.315 4.4070  -2.401260      6.331481  
1 1 1 2   77  4  o 88.879  2.8188  4287.16    271.348  4433.57    384.740  4142.26    382.755  90.292  3.9341  87.264  4.0496  3.027588       5.645962  
1 1 1 2   77  5  o 55.598  2.9936  1683.11    179.610  1545.75    256.297  1815.67    251.777  53.087  4.4998  57.628  4.0597  -4.540939      6.060516  
1 1 1 2   77  6  o 96.519  2.8877  5057.47    301.886  5135.73    429.989  4981.40    423.938  97.144  4.0867  95.673  4.0911  1.471230       5.782591  
1 1 1 2   77  7  f 108.325 2.9493  6371.85    346.039  6294.88    496.187  6444.72    482.832  107.512 4.2610  108.808 4.0970  -1.294968      5.911180  
1 1 1 2   77  8  f 26.351  4.9206  391.091    135.273  424.014    204.010  365.258    180.713  27.247  6.9045  25.320  6.5426  1.926510       9.511948  
1 1 1 2   77  9  o 65.513  2.9861  2331.76    211.886  2523.37    313.754  2171.11    287.296  67.905  4.2880  62.975  4.2366  4.929554       6.027940  
1 1 1 2   77  10 o 144.789 3.2662  11400.40   512.208  11519.23   729.005  11284.54   719.825  145.237 4.6343  143.753 4.6232  1.484283       6.546021  
1 1 1 2   77  11 o 118.204 3.0907  7596.77    395.690  7650.54    578.758  7549.57    542.208  118.356 4.5148  117.628 4.2558  0.7284546      6.204475  
1 1 1 2   77  12 o 69.387  3.2445  2619.81    243.833  2923.35    375.029  2397.54    320.922  72.945  4.7731  66.083  4.5107  6.861374       6.567263  
1 1 1 2   77  13 o 110.780 3.1385  6679.04    376.582  6732.70    557.821  6634.10    510.459  110.899 4.6441  110.174 4.2777  0.7251511      6.313983  
1 1 1 2   77  14 f 112.268 3.1762  6864.45    386.212  6901.96    570.322  6832.68    524.877  112.200 4.6931  111.735 4.3371  0.4646988      6.390238  
1 1 1 2   77  15 o 34.248  5.8462  665.649    209.075  635.238    349.292  682.629    260.994  32.896  9.3577  34.344  7.2443  -1.447681      11.83416  
1 1 1 2   77  16 o 128.160 3.3399  8964.28    463.617  9082.47    676.431  8859.57    636.681  128.448 4.8621  126.958 4.6301  1.489891       6.714041  
1 1 1 2   77  17 f 108.016 3.6461  6382.40    426.566  7014.13    780.599  6113.43    509.341  111.872 6.4698  105.455 4.4594  6.417374       7.857776  
1 1 1 2   77  18 o 125.740 3.2994  8643.58    449.347  7032.77    925.975  9139.74    513.912  110.851 7.7614  129.153 3.6738  -18.30164      8.586942  
1 1 1 2   77  19 o 54.300  4.0564  1633.14    236.842  2201.72    531.033  1491.95    264.618  61.181  8.2219  51.660  4.7836  9.520847       9.512201  
1 1 1 2   77  20 o 23.186  8.0042  299.616    244.176  348.116    463.611  280.998    287.246  27.064  10.694  23.329  8.6095  3.735559       13.72899  
1 1 1 2   77  21 o 36.858  8.3561  844.899    325.888  0.0000     0.0000   844.899    325.888  ?       ?       36.858  8.3561  0.000000       8.356068  
1 1 1 2   77  22 o 48.061  6.2232  1354.44    316.337  0.0000     0.0000   1354.44    316.337  ?       ?       48.061  6.2232  0.000000       6.223165  
1 1 1 2   77  23 o 46.275  6.4546  1274.71    314.697  0.0000     0.0000   1274.71    314.697  ?       ?       46.275  6.4546  0.000000       6.454559  
1 1 1 2   77  24 o 71.495  5.3433  2961.05    410.776  0.0000     0.0000   2961.05    410.776  ?       ?       71.495  5.3433  0.000000       5.343286  
1 1 1 2   77  25 o 22.867  8.6733  296.797    295.725  0.0000     0.0000   296.797    295.725  ?       ?       22.867  8.6733  0.000000       8.673283  
1 1 1 2   78  0  o 33.016  3.9944  601.407    139.935  639.899    196.513  561.811    199.312  33.802  5.5610  31.538  6.0551  2.264395       8.221261  
1 1 1 2   78  1  o 97.002  2.8288  5106.71    297.201  5157.37    420.836  5056.31    419.779  97.379  3.9901  96.417  4.0197  0.9619446      5.663826  
1 1 1 2   78  2  o 129.645 3.0897  9126.08    433.847  8546.55    616.822  9693.48    610.335  125.270 4.5461  133.463 4.2222  -8.192719      6.204363  
1 1 1 2   78  3  o 58.321  2.9994  1851.50    188.823  1801.26    270.000  1899.60    264.168  57.354  4.3795  58.938  4.1651  -1.583790      6.043844  
1 1 1 2   78  4  o 59.156  2.9760  1904.73    190.067  1939.56    281.441  1875.52    257.716  59.520  4.3968  58.568  4.0883  0.9525528      6.003838  
1 1 1 2   78  5  o 14.329  5.4978  75.310     119.680  106.856    173.202  46.484     165.563  17.147  6.6050  15.349  6.2753  1.797893       9.110723  
1 1 1 2   78  6  o 97.903  2.9330  5204.65    311.011  5385.17    438.594  5022.07    441.089  99.463  4.0713  96.030  4.2408  3.432678       5.878765  
1 1 1 2   78  7  o 44.474  3.5669  1082.47    170.368  1237.59    255.807  958.828    228.391  47.340  5.0677  41.580  5.1840  5.760326       7.249464  
1 1 1 2   78  8  o 49.133  3.2108  1317.68    169.928  1490.95    251.081  1171.24    230.824  52.094  4.4939  46.093  4.6888  6.001114       6.494656  
1 1 1 2   78  9  o 56.753  3.1657  1756.40    193.819  1831.10    290.158  1696.22    260.447  57.721  4.6816  55.596  4.3602  2.124912       6.397491  
1 1 1 2   78  10 o 38.502  4.2105  817.975    172.719  755.467    269.960  861.295    224.736  36.384  7.1054  39.289  5.4260  -2.904892      8.940248  
1 1 1 2   78  11 o 27.193  6.1912  422.997    178.261  430.686    288.872  418.268    226.538  27.777  8.6628  27.044  7.4815  0.7332134      11.44631  
1 1 1 2   78  12 o 55.005  2.4435  1643.22    145.577  1754.46    343.643  1618.90    160.710  56.197  5.7257  54.578  2.7187  1.619759       6.338389  
1 1 1 2   78  13 o 28.886  6.0198  477.009    182.231  542.418    302.870  439.893    228.148  30.618  8.7151  27.625  7.4531  2.992533       11.46743  
1 1 1 2   78  14 o 83.207  3.2667  3773.11    294.401  3809.35    439.276  3743.55    396.670  83.142  4.8997  82.543  4.4534  0.5993881      6.621134  
1 1 1 2   78  15 o 132.094 3.3352  9518.44    477.175  9189.72    697.386  9807.82    654.327  129.217 4.9829  133.682 4.5191  -4.465256      6.726927  
1 1 1 2   78  16 o 15.730  6.6563  17.731     195.713  127.058    343.850  -34.6602   238.033  22.100  9.0404  16.320  7.1259  5.780247       11.51116  
1 1 1 2   78  17 f 41.533  5.9090  977.474    258.318  636.349    495.188  1105.01    302.779  33.291  11.403  43.997  6.5539  -10.70568      13.15261  
1 1 1 2   78  18 o 16.622  6.7584  71.629     190.717  -209.3872  461.915  129.379    209.399  20.619  9.3912  18.525  7.2269  2.094122       11.85002  
1 1 1 2   78  19 o 56.156  4.1287  1751.10    249.359  1699.54    536.031  1765.34    281.695  52.517  9.7836  56.193  4.6707  -3.675671      10.84128  
1 1 1 2   78  20 o 59.988  3.9660  2002.75    256.232  1898.77    551.980  2031.31    289.289  55.029  9.6108  60.200  4.4687  -5.170582      10.59889  
1 1 1 2   78  21 o 17.254  7.0282  90.863     206.713  -252.2585  570.511  142.717    221.783  21.845  10.126  18.797  7.4063  3.047895       12.54539  
1 1 1 2   78  22 o 36.507  2.1834  730.641    85.938   466.103    508.199  738.429    87.193   28.522  11.220  36.697  2.2039  -8.174805      11.43430  
1 1 1 2   78  23 o 25.030  8.7524  381.605    292.407  0.0000     0.0000   381.605    292.407  ?       ?       25.030  8.7524  0.000000       8.752383  
1 1 1 2   78  24 o 17.337  7.7940  -53.9634   305.958  0.0000     0.0000   -53.9634   305.958  ?       ?       17.337  7.7940  0.000000       7.794032  
1 1 1 2   78  25 o 24.625  8.8387  376.798    299.858  0.0000     0.0000   376.798    299.858  ?       ?       24.625  8.8387  0.000000       8.838689  
1 1 1 2   79  0  o 110.241 2.9046  6597.33    346.813  6447.50    493.590  6743.44    487.404  108.842 4.1870  111.331 4.0421  -2.488701      5.819719  
1 1 1 2   79  1  o 75.653  2.8361  3106.59    232.387  3131.23    333.387  3083.31    324.100  75.751  4.0784  75.179  3.9946  0.5718155      5.708793  
1 1 1 2   79  2  o 114.720 2.9443  7145.02    365.842  7428.17    518.993  6865.37    515.779  116.834 4.1013  112.302 4.2404  4.531891       5.899299  
1 1 1 2   79  3  o 140.630 3.1789  10742.15   484.199  10723.27   688.841  10760.58   680.752  140.292 4.5333  140.547 4.4720  -0.2552338     6.367848  
1 1 1 2   79  4  o 27.267  4.7997  417.198    136.571  135.549    193.723  695.488    192.564  18.526  7.0215  35.326  5.1873  -16.79992      8.729843  
1 1 1 2   79  5  o 68.566  2.8840  2552.71    214.177  2695.05    313.836  2428.62    293.018  70.233  4.1440  66.668  4.0776  3.564613       5.813728  
1 1 1 2   79  6  o 136.165 3.1566  10074.30   465.534  10204.49   661.027  9946.19    655.733  136.816 4.4608  135.069 4.4823  1.746994       6.323742  
1 1 1 2   79  7  o 67.692  2.9926  2489.40    219.411  2494.65    322.159  2484.85    299.650  67.493  4.4316  67.410  4.1240  0.8322144E-01  6.053627  
1 1 1 2   79  8  o 135.785 3.1653  10022.82   465.520  9797.24    660.319  10245.72   656.388  133.978 4.5504  137.040 4.4223  -3.061798      6.345273  
1 1 1 2   79  9  o 94.783  2.9194  4881.78    299.704  4791.68    431.878  4965.47    416.246  93.726  4.2543  95.447  4.0264  -1.720207      5.857576  
1 1 1 2   79  10 o 140.643 3.2287  10760.00   491.830  11643.73   711.895  9953.00    680.286  145.997 4.5020  134.942 4.6545  11.05542       6.475501  
1 1 1 2   79  11 o 132.992 3.2559  9625.97    468.997  9897.28    671.408  9367.44    655.407  134.521 4.6082  130.866 4.6240  3.654617       6.528093  
1 1 1 2   79  12 f 47.506  2.0410  1224.80    105.019  1089.19    325.167  1240.59    110.966  43.769  7.1026  47.806  2.1431  -4.037437      7.418918  
1 1 1 2   79  13 o 88.943  3.1363  4308.08    302.130  4155.97    452.140  4430.80    406.110  86.902  4.8226  90.010  4.1656  -3.108490      6.372618  
1 1 1 2   79  14 o 41.064  4.6140  936.360    201.661  551.040    323.718  1180.72    257.793  30.801  9.0834  46.016  5.2673  -15.21441      10.50018  
1 1 1 2   79  15 o 19.578  6.9767  187.559    186.507  409.378    338.907  91.199     223.374  27.514  9.4338  18.197  7.3443  9.316694       11.95556  
1 1 1 2   79  16 o 20.314  7.5154  188.580    219.141  -124.5709  373.698  352.705    270.539  19.356  8.6641  25.336  8.4287  -5.979883      12.08753  
1 1 1 2   79  17 o 21.867  7.8755  237.553    238.256  235.847    466.128  238.156    277.204  26.181  10.594  22.627  8.4363  3.553753       13.54283  
1 1 1 2   79  18 o 40.061  5.3033  908.434    224.456  752.060    497.466  948.406    251.513  34.945  11.420  40.758  5.8665  -5.812851      12.83875  
1 1 1 2   79  19 o 54.289  4.0911  1639.83    238.788  1247.37    532.387  1738.66    267.169  43.726  11.194  55.771  4.4602  -12.04510      12.04953  
1 1 1 2   79  20 o 84.586  3.4970  3948.71    320.379  3388.90    659.383  4121.70    366.554  74.901  8.2656  86.209  3.9257  -11.30747      9.150448  
1 1 1 2   79  21 o 55.195  4.4122  1714.27    261.561  1319.97    546.184  1831.60    297.948  43.946  11.384  56.825  4.8885  -12.87936      12.38883  
1 1 1 2   79  22 o 36.863  2.3900  746.939    94.910   0.0000     0.0000   746.939    94.910   ?       ?       36.863  2.3900  0.000000       2.390007  
1 1 1 2   79  23 o 34.172  8.2695  748.988    302.762  0.0000     0.0000   748.988    302.762  ?       ?       34.172  8.2695  0.000000       8.269483  
1 1 1 2   79  24 o 18.128  7.8482  44.176     283.704  0.0000     0.0000   44.176     283.704  ?       ?       18.128  7.8482  0.000000       7.848228  
1 1 1 2   80  0  o 71.914  2.8569  2807.63    222.529  2760.17    309.097  2858.69    320.625  71.105  4.0301  72.355  4.1082  -1.250557      5.754900  
1 1 1 2   80  1  o 15.920  5.3180  130.454    107.668  83.753     145.779  186.504    159.705  15.568  6.0420  19.124  6.4764  -3.555618      8.857184  
1 1 1 2   80  2  o 69.931  2.8510  2655.05    215.941  2677.84    318.378  2635.64    293.865  70.001  4.2189  69.489  3.9205  0.5127869      5.759305  
1 1 1 2   80  3  o 67.467  2.8396  2471.35    207.500  2558.98    296.375  2387.10    290.609  68.450  4.0151  66.094  4.0795  2.356117       5.723944  
1 1 1 2   80  4  o 132.377 3.0991  9519.71    444.336  9447.08    631.527  9590.93    625.293  131.656 4.4287  132.669 4.3515  -1.013168      6.208826  
1 1 1 2   80  5  o 140.211 3.2075  10683.87   487.101  10410.61   692.376  10951.65   685.407  138.145 4.6274  141.725 4.4651  -3.579651      6.430388  
1 1 1 2   80  6  o 133.408 3.1478  9672.85    454.844  9787.15    646.124  9560.56    640.407  133.956 4.4533  132.393 4.4660  1.562408       6.306928  
1 1 1 2   80  7  o 63.493  3.0365  2190.79    208.817  2057.30    307.365  2305.21    284.573  61.210  4.6715  64.916  4.0679  -3.705982      6.194419  
1 1 1 2   80  8  o 118.401 2.9980  7618.84    384.466  7795.06    546.917  7446.69    540.572  119.554 4.2236  116.842 4.2715  2.711441       6.007086  
1 1 1 2   80  9  o 112.769 3.0338  6913.57    370.548  6372.37    526.347  7445.36    521.751  108.015 4.4990  116.834 4.1231  -8.819496      6.102542  
1 1 1 2   80  10 o 83.309  3.1912  3776.06    287.946  3625.30    420.093  3909.67    395.458  81.256  4.7946  84.496  4.3357  -3.240891      6.464215  
1 1 1 2   80  11 o 78.359  3.2179  3342.30    273.108  3046.46    407.668  3583.18    367.858  74.358  5.0925  80.879  4.2138  -6.521095      6.609843  
1 1 1 2   80  12 o 83.815  2.8027  3820.69    254.430  3369.19    431.771  4060.87    314.915  78.155  5.1291  86.327  3.3680  -8.171989      6.136047  
1 1 1 2   80  13 o 70.041  3.3490  2674.40    254.062  2533.20    390.624  2777.93    334.473  67.613  5.3785  71.091  4.3650  -3.477913      6.926884  
1 1 1 2   80  14 o 93.297  3.1648  4744.83    319.799  4383.20    475.441  5043.65    432.176  89.122  4.9448  95.962  4.1581  -6.840393      6.460692  
1 1 1 2   80  15 o 42.798  4.6902  1018.90    213.854  1130.38    396.304  973.102    254.011  43.868  8.6483  41.522  5.8069  2.345245       10.41700  
1 1 1 2   80  16 o 109.594 3.3158  6560.92    393.595  6101.99    580.134  6952.33    535.764  105.078 5.0974  112.449 4.3989  -7.371330      6.733029  
1 1 1 2   80  17 o 106.876 3.8495  6270.77    445.607  5870.39    787.297  6459.50    540.517  101.481 7.2097  108.153 4.6142  -6.671600      8.559859  
1 1 1 2   80  18 o 46.613  4.4869  1214.38    223.730  811.439    513.218  1308.93    248.596  35.801  11.593  48.298  4.8165  -12.49632      12.55417  
1 1 1 2   80  19 o 105.233 3.3720  6095.64    384.335  5048.99    782.091  6428.87    441.296  92.234  7.9052  107.849 3.7779  -15.61480      8.761563  
1 1 1 2   80  20 o 131.631 3.4227  9558.21    487.974  7863.40    995.588  10094.10   559.831  114.501 8.0797  134.960 3.8298  -20.45856      8.941423  
1 1 1 2   80  21 o 48.251  2.2768  1272.42    118.990  726.231    528.464  1301.59    122.126  32.915  11.742  48.794  2.3108  -15.87963      11.96751  
1 1 1 2   80  22 o 21.725  8.5501  221.858    295.252  0.0000     0.0000   221.858    295.252  ?       ?       21.725  8.5501  0.000000       8.550126  
1 1 1 2   80  23 o 19.210  7.8587  134.850    259.854  0.0000     0.0000   134.850    259.854  ?       ?       19.210  7.8587  0.000000       7.858717  
1 1 1 2   80  24 o 43.153  7.2277  1150.77    325.865  0.0000     0.0000   1150.77    325.865  ?       ?       43.153  7.2277  0.000000       7.227664  
1 1 1 2   81  0  o 172.211 3.5445  16126.02   661.121  16039.44   939.381  16210.98   930.615  171.387 5.0605  172.322 4.9861  -0.9347687     7.104198  
1 1 1 2   81  1  o 97.315  2.8591  5142.32    301.352  4962.40    429.745  5316.38    422.694  95.456  4.1566  98.829  3.9489  -3.372986      5.733292  
1 1 1 2   81  2  o 58.622  3.0005  1871.49    189.876  1824.80    272.191  1915.74    265.003  57.700  4.3883  59.163  4.1620  -1.463203      6.048068  
1 1 1 2   81  3  o 105.031 2.8906  5991.11    328.836  6113.38    468.074  5871.95    462.072  105.948 4.0790  103.830 4.1088  2.117439       5.789675  
1 1 1 2   81  4  o 138.915 3.1908  10488.04   480.086  10439.64   682.778  10535.36   675.172  138.337 4.5569  138.985 4.4851  -0.6485748     6.393907  
1 1 1 2   81  5  o 81.373  2.8397  3596.47    250.277  3558.24    354.991  3634.25    352.908  80.713  4.0739  81.683  3.9890  -0.9695511     5.701617  
1 1 1 2   81  6  o 95.241  2.9104  4928.08    300.228  5077.72    431.473  4787.63    418.021  96.521  4.1273  93.725  4.1179  2.796249       5.830183  
1 1 1 2   81  7  o 63.961  3.0516  2223.64    211.406  2426.62    311.529  2050.37    287.822  66.553  4.3456  61.148  4.3747  5.405098       6.166267  
1 1 1 2   81  8  o 148.759 3.3008  12038.60   531.825  11937.10   754.710  12138.72   749.545  147.782 4.7151  149.046 4.6431  -1.263626      6.617417  
1 1 1 2   81  9  o 163.679 3.6298  14594.56   643.493  14422.20   953.818  14738.55   871.778  162.118 5.4320  164.085 4.9053  -1.966812      7.319092  
1 1 1 2   81  10 o 110.677 3.0643  6663.89    367.336  6953.17    534.795  6405.50    505.431  112.788 4.3778  108.270 4.3101  4.517624       6.143423  
1 1 1 2   81  11 o 48.617  4.0392  1299.73    210.768  1396.27    331.577  1234.27    273.025  49.893  6.2746  47.071  5.4564  2.821934       8.315284  
1 1 1 2   81  12 o 119.444 3.2130  7771.86    415.661  7314.69    601.789  8188.96    574.807  115.456 4.8123  122.311 4.3390  -6.854836      6.479589  
1 1 1 2   81  13 o 69.274  3.3899  2617.56    254.345  2370.57    392.991  2795.59    333.647  65.293  5.6116  71.300  4.3411  -6.007408      7.094725  
1 1 1 2   81  14 o 15.404  6.4596  26.916     181.636  -57.1757   333.165  62.481     216.668  19.074  8.3765  17.387  7.1517  1.686663       11.01422  
1 1 1 2   81  15 o 55.596  2.5233  1681.74    151.945  1522.82    409.575  1707.10    163.621  51.478  7.5722  55.995  2.6978  -4.517754      8.038414  
1 1 1 2   81  16 o 65.001  3.9277  2326.36    275.222  2285.98    448.124  2350.82    348.746  63.493  6.6134  65.020  4.9902  -1.526649      8.284887  
1 1 1 2   81  17 o 17.837  7.4335  58.801     238.365  257.701    467.533  -11.0577   277.081  26.268  10.617  17.834  7.7385  8.434397       13.13794  
1 1 1 2   81  18 o 39.024  5.4578  870.753    224.370  688.716    506.902  915.107    250.216  33.263  11.530  39.818  5.9871  -6.555363      12.99160  
1 1 1 2   81  19 o 37.590  5.8355  820.116    229.879  486.331    502.622  908.404    258.499  29.407  11.271  39.408  6.2660  -10.00134      12.89528  
1 1 1 2   81  20 o 58.765  4.2035  1933.19    265.782  1601.21    557.185  2030.98    302.404  49.275  10.743  60.005  4.6903  -10.72971      11.72224  
1 1 1 2   81  21 o 62.770  2.8418  2165.16    193.201  1615.94    579.576  2233.82    204.922  48.643  11.228  63.715  2.9695  -15.07139      11.61432  
1 1 1 2   81  22 o 20.100  8.2075  150.766    282.776  0.0000     0.0000   150.766    282.776  ?       ?       20.100  8.2075  0.000000       8.207464  
1 1 1 2   81  23 o 16.689  7.4785  -50.4762   279.221  0.0000     0.0000   -50.4762   279.221  ?       ?       16.689  7.4785  0.000000       7.478512  
1 1 1 2   81  24 f 21.977  8.8361  227.099    322.007  0.0000     0.0000   227.099    322.007  ?       ?       21.977  8.8361  0.000000       8.836146  
1 1 1 2   82  0  o 95.446  2.8322  4947.33    292.792  4925.65    414.018  4969.02    414.121  95.102  4.0194  95.522  4.0027  -0.4199829     5.672511  
1 1 1 2   82  1  o 60.491  2.8697  1987.37    188.020  1925.81    270.468  2044.94    261.555  59.297  4.2392  61.154  3.9703  -1.856472      5.808137  
1 1 1 2   82  2  o 88.100  2.8059  4215.05    267.739  4203.84    385.474  4225.50    372.156  87.849  4.0512  88.094  3.9004  -0.2447281     5.623668  
1 1 1 2   82  3  o 64.710  3.0361  2275.23    212.794  2077.81    305.098  2462.22    296.939  61.536  4.6111  67.101  4.1055  -5.564243      6.173923  
1 1 1 2   82  4  f 141.724 3.2285  10919.41   495.580  10782.56   699.315  11057.48   702.406  140.557 4.5936  142.347 4.5559  -1.789566      6.469671  
1 1 1 2   82  5  o 156.216 3.3731  13273.03   570.730  13251.13   808.406  13294.80   805.869  155.745 4.7923  156.008 4.7692  -0.2629852     6.761048  
1 1 1 2   82  6  o 50.794  3.3271  1409.31    182.030  1378.27    265.616  1436.81    249.955  49.963  4.9745  51.099  4.5643  -1.135826      6.751171  
1 1 1 2   82  7  o 120.112 3.0619  7843.43    398.337  8016.36    567.471  7675.46    559.287  121.195 4.3230  118.584 4.3545  2.611656       6.135994  
1 1 1 2   82  8  o 128.770 3.1001  9018.45    432.383  9239.72    614.826  8801.92    608.191  130.068 4.3643  126.935 4.4237  3.133583       6.214205  
1 1 1 2   82  9  o 82.348  3.1027  3689.28    276.736  3419.08    401.696  3933.36    381.791  78.902  4.7222  84.875  4.1531  -5.973534      6.288670  
1 1 1 2   82  10 o 89.545  3.1523  4364.59    305.733  4084.01    451.580  4602.05    415.424  86.185  4.8575  91.771  4.1794  -5.586021      6.408009  
1 1 1 2   82  11 o 151.748 3.4210  12551.71   562.268  12421.66   802.838  12676.91   787.713  150.438 4.9272  152.034 4.7836  -1.595932      6.867338  
1 1 1 2   82  12 o 137.464 3.2766  10299.74   487.839  10343.73   706.197  10259.59   674.698  137.271 4.7498  136.786 4.5541  0.4851074      6.580293  
1 1 1 2   82  13 o 93.740  3.2406  4791.62    329.015  4567.70    491.666  4973.20    442.761  90.959  5.0100  95.253  4.2916  -4.294174      6.596799  
1 1 1 2   82  14 o 80.286  3.4061  3519.15    296.189  3672.68    460.744  3411.02    386.674  81.409  5.2534  78.667  4.5577  2.741554       6.954926  
1 1 1 2   82  15 o 103.293 3.2332  5825.96    361.724  5984.75    557.810  5710.73    475.178  104.118 4.9464  101.943 4.3036  2.175301       6.556482  
1 1 1 2   82  16 o 49.153  4.8998  1349.87    257.381  1478.44    461.994  1292.01    309.934  49.857  8.8809  47.664  6.1468  2.193699       10.80064  
1 1 1 2   82  17 o 114.558 3.8804  7230.32    481.475  6402.35    848.371  7623.70    584.773  105.164 7.4972  117.226 4.6057  -12.06135      8.798919  
1 1 1 2   82  18 o 70.770  3.6447  2769.85    278.424  2328.81    598.056  2891.89    314.596  61.537  9.2599  72.146  4.0423  -10.60891      10.10370  
1 1 1 2   82  19 o 62.581  3.9110  2178.48    263.760  1991.98    569.390  2229.44    297.618  56.246  9.6967  63.100  4.3819  -6.854668      10.64081  
1 1 1 2   82  20 o 46.343  2.2875  1173.45    114.820  927.608    524.750  1185.81    117.671  36.674  11.707  46.519  2.3429  -9.845390      11.93921  
1 1 1 2   82  21 o 20.392  8.0199  184.940    259.603  0.0000     0.0000   184.940    259.603  ?       ?       20.392  8.0199  0.000000       8.019898  
1 1 1 2   82  22 o 22.120  8.9065  219.027    327.675  0.0000     0.0000   219.027    327.675  ?       ?       22.120  8.9065  0.000000       8.906472  
1 1 1 2   82  23 o 17.075  7.7524  -91.4324   311.601  0.0000     0.0000   -91.4324   311.601  ?       ?       17.075  7.7524  0.000000       7.752404  
1 1 1 2   83  0  o 158.833 3.3869  13719.53   582.656  13505.32   825.200  13932.50   822.805  157.244 4.8452  159.737 4.7558  -2.492386      6.789229  
1 1 1 2   83  1  o 113.622 2.9592  7013.92    364.178  7026.51    512.551  7001.09    517.537  113.545 4.1677  113.331 4.2162  0.2139664      5.928432  
1 1 1 2   83  2  o 40.476  3.4811  897.718    151.127  915.656    225.606  883.117    203.545  40.584  5.2559  39.932  4.8026  0.6523132      7.119652  
1 1 1 2   83  3  o 92.679  2.8071  4665.48    281.777  4819.32    405.470  4521.80    391.866  94.053  3.9803  91.105  3.9712  2.948196       5.622599  
1 1 1 2   83  4  o 48.361  3.2924  1277.77    171.431  1435.13    242.828  1121.40    242.053  51.096  4.4317  45.008  5.0527  6.087761       6.720812  
1 1 1 2   83  5  o 137.842 3.1907  10331.87   476.357  10304.14   678.329  10358.86   669.106  137.364 4.5593  137.747 4.4848  -0.3827820     6.395343  
1 1 1 2   83  6  o 70.617  2.9508  2710.55    225.695  2968.47    326.505  2474.54    312.327  73.662  4.1088  67.198  4.3141  6.463928       5.957606  
1 1 1 2   83  7  o 24.974  5.4820  355.343    144.218  162.158    211.154  524.257    197.445  19.614  7.3532  30.320  6.2210  -10.70533      9.631725  
1 1 1 2   83  8  o 135.163 3.1118  9938.98    455.548  10790.68   655.415  9142.97    633.621  140.542 4.3057  129.309 4.5241  11.23299       6.245491  
1 1 1 2   83  9  o 76.842  3.1227  3213.58    259.894  2990.81    377.495  3414.33    358.344  73.744  4.7515  78.938  4.2064  -5.194054      6.345965  
1 1 1 2   83  10 o 175.928 3.6629  16883.70   697.966  17296.96   993.816  16481.47   980.466  177.430 5.1714  173.170 5.2274  4.260132       7.353202  
1 1 1 2   83  11 o 98.637  3.1338  5299.19    334.798  4729.53    492.319  5789.29    456.642  92.671  4.9226  102.888 4.0977  -10.21719      6.404897  
1 1 1 2   83  12 o 90.967  3.1782  4510.30    313.138  4675.64    476.644  4384.75    415.345  92.125  4.7935  89.458  4.2867  2.667305       6.430613  
1 1 1 2   83  13 o 153.994 3.4699  12947.16   578.749  13277.10   836.826  12644.65   801.280  155.283 4.9756  151.586 4.8804  3.696198       6.969534  
1 1 1 2   83  14 o 41.937  2.3278  959.218    105.319  1002.45    375.510  955.526    109.723  41.192  8.6899  41.843  2.4315  -0.6509323     9.023711  
1 1 1 2   83  15 o 47.556  4.9129  1262.53    249.411  1547.23    386.201  1058.83    326.668  51.946  7.0461  42.724  7.3228  9.221272       10.16224  
1 1 1 2   83  16 o 106.560 3.4150  6224.34    394.141  5662.08    600.875  6648.96    522.174  100.511 5.5409  109.701 4.3947  -9.190353      7.072155  
1 1 1 2   83  17 f 67.974  3.8642  2557.81    283.322  2792.08    445.073  2398.20    367.370  70.031  5.9233  65.219  5.2450  4.812012       7.911757  
1 1 1 2   83  18 o 60.020  3.9946  2004.31    258.195  2139.64    566.636  1968.85    290.057  58.905  9.1806  59.249  4.5548  -0.3441505     10.24841  
1 1 1 2   83  19 o 64.635  3.8929  2324.41    271.255  1593.77    584.413  2525.04    306.242  48.847  11.275  67.217  4.2280  -18.37057      12.04153  
1 1 1 2   83  20 o 63.878  2.6506  2236.96    183.383  2217.85    582.283  2239.06    193.215  59.174  9.3995  63.865  2.7932  -4.691105      9.805784  
1 1 1 2   83  21 o 20.844  8.3082  187.712    282.082  0.0000     0.0000   187.712    282.082  ?       ?       20.844  8.3082  0.000000       8.308171  
1 1 1 2   83  22 o 16.884  7.4376  -10.3836   264.466  0.0000     0.0000   -10.3836   264.466  ?       ?       16.884  7.4376  0.000000       7.437622  
1 1 1 2   83  23 o 47.738  7.1474  1394.23    358.189  0.0000     0.0000   1394.23    358.189  ?       ?       47.738  7.1474  0.000000       7.147361  
1 1 1 2   84  0  o 46.755  3.1824  1193.95    160.201  1205.21    232.490  1183.76    221.060  46.754  4.6529  46.367  4.4568  0.3875351      6.442985  
1 1 1 2   84  1  o 49.133  3.1048  1317.41    164.376  1395.33    237.392  1245.65    227.827  50.383  4.3942  47.570  4.4745  2.813828       6.271333  
1 1 1 2   84  2  o 91.629  2.8455  4561.26    282.398  4322.63    402.443  4792.75    396.369  89.037  4.1731  93.794  3.9017  -4.756905      5.713000  
1 1 1 2   84  3  o 26.520  4.7881  395.893    132.470  400.351    200.240  392.423    176.651  26.455  6.9121  26.197  6.3025  0.2577858      9.354082  
1 1 1 2   84  4  o 39.041  3.7291  837.631    155.768  877.838    236.930  807.023    206.725  39.610  5.6857  38.061  5.1467  1.548794       7.669161  
1 1 1 2   84  5  o 72.048  2.9574  2821.74    230.784  2690.28    333.907  2941.99    319.335  70.051  4.4236  73.339  4.0357  -3.288475      5.987899  
1 1 1 2   84  6  o 21.539  1.2602  252.279    29.270   252.004    29.608   264.113    194.152  21.526  1.2756  22.101  7.1280  -0.5745468     7.241269  
1 1 1 2   84  7  o 84.196  2.9067  3854.39    265.068  4291.02    387.859  3471.75    363.091  88.672  4.0385  79.621  4.2255  9.050812       5.844966  
1 1 1 2   84  8  o 88.431  3.0497  4254.88    292.095  3918.78    423.611  4559.54    403.307  84.481  4.6474  91.373  4.0752  -6.892586      6.181060  
1 1 1 2   84  9  o 74.101  3.1613  2989.56    253.718  2909.33    368.996  3061.50    349.427  72.717  4.7104  74.689  4.3381  -1.972267      6.403675  
1 1 1 2   84  10 o 67.246  3.5285  2472.99    256.101  2312.32    379.730  2607.04    346.860  64.570  5.4815  68.799  4.6827  -4.228973      7.209334  
1 1 1 2   84  11 o 104.973 3.0373  6001.68    345.325  5721.07    527.995  6211.44    456.497  102.062 4.7764  106.580 3.9545  -4.518585      6.200937  
1 1 1 2   84  12 o 101.490 3.2448  5616.73    356.683  5334.70    523.670  5860.80    487.159  98.472  4.9099  103.388 4.3504  -4.915184      6.559977  
1 1 1 2   84  13 o 57.948  3.8642  1845.67    241.141  2235.75    385.273  1594.44    309.192  63.295  5.6804  53.450  5.4156  9.844379       7.848295  
1 1 1 2   84  14 o 77.666  2.8248  3287.73    237.626  3346.98    457.490  3265.84    278.080  77.497  5.4858  77.312  3.3209  0.1851044      6.412655  
1 1 1 2   84  15 o 41.661  5.2637  978.733    232.217  876.636    378.822  1040.19    293.915  37.999  9.2836  42.515  6.5965  -4.515659      11.38854  
1 1 1 2   84  16 o 19.431  7.4269  163.145    217.885  172.118    371.986  158.459    268.828  23.031  9.4100  20.535  8.1341  2.496113       12.43831  
1 1 1 2   84  17 o 56.653  4.6177  1799.90    280.882  1781.30    450.857  1811.69    359.081  54.674  7.8377  56.195  5.9920  -1.521301      9.865808  
1 1 1 2   84  18 o 27.614  6.9603  458.828    208.106  493.611    499.490  451.522    228.921  29.531  11.255  27.287  7.5094  2.244371       13.53017  
1 1 1 2   84  19 o 14.529  6.3783  -24.5190   193.024  90.704     478.325  -46.9324   210.964  23.422  10.165  14.807  6.5764  8.615472       12.10724  
1 1 1 2   84  20 o 50.445  2.4590  1393.33    134.355  705.664    542.490  1438.27    138.675  32.458  11.854  51.243  2.4986  -18.78418      12.11477  
1 1 1 2   84  21 o 36.596  8.5284  856.913    331.783  0.0000     0.0000   856.913    331.783  ?       ?       36.596  8.5284  0.000000       8.528389  
1 1 1 2   84  22 o 28.992  8.5396  543.027    286.266  0.0000     0.0000   543.027    286.266  ?       ?       28.992  8.5396  0.000000       8.539589  
1 1 1 2   85  0  o 65.978  2.8829  2365.55    206.018  2189.93    291.247  2541.44    291.460  63.210  4.2793  68.170  3.9646  -4.959805      5.833527  
1 1 1 2   85  1  o 45.338  3.3219  1124.22    161.991  1184.24    228.097  1063.15    230.096  46.336  4.6060  43.818  4.9342  2.518303       6.749906  
1 1 1 2   85  2  o 59.988  2.9969  1956.17    194.715  2011.48    279.637  1904.12    271.289  60.562  4.2909  58.917  4.2805  1.644756       6.060887  
1 1 1 2   85  3  o 68.425  2.9496  2545.03    218.596  2552.46    319.181  2538.48    299.993  68.242  4.3409  68.101  4.0860  0.1414795      5.961451  
1 1 1 2   85  4  o 16.830  5.7403  143.628    125.472  214.564    187.367  85.953     168.947  20.497  7.0145  16.407  6.4643  4.090261       9.538941  
1 1 1 2   85  5  o 36.822  3.8718  747.283    152.102  686.531    226.538  797.152    205.244  34.794  6.2405  37.803  5.1465  -3.008854      8.088913  
1 1 1 2   85  6  o 127.438 3.1047  8835.92    428.535  8723.19    605.193  8949.29    606.889  126.322 4.4233  127.961 4.3789  -1.638557      6.224131  
1 1 1 2   85  7  o 52.566  3.7015  1514.13    209.401  1498.82    305.541  1527.69    287.553  51.930  5.5167  52.525  5.1196  -0.5949135     7.526250  
1 1 1 2   85  8  o 88.716  3.0008  4282.71    288.342  4192.31    419.236  4363.87    397.209  87.417  4.4424  89.367  4.1037  -1.949837      6.047750  
1 1 1 2   85  9  o 50.263  3.9265  1388.25    212.061  1285.73    303.440  1486.13    296.481  47.895  5.9797  51.699  5.3732  -3.804558      8.039171  
1 1 1 2   85  10 o 75.988  2.6539  3140.45    218.423  3174.10    276.472  3084.57    356.285  76.299  3.3455  74.903  4.4111  1.395706       5.536310  
1 1 1 2   85  11 o 126.867 3.2761  8776.53    450.176  8602.25    653.236  8934.17    621.258  125.103 4.8209  127.617 4.4946  -2.513573      6.591146  
1 1 1 2   85  12 o 137.273 3.3536  10283.37   498.615  10357.66   725.152  10216.74   686.714  137.185 4.8804  136.349 4.6500  0.8357544      6.740965  
1 1 1 2   85  13 f 91.775  3.3423  4600.56    332.226  4281.34    493.260  4865.60    449.466  87.855  5.2069  94.084  4.4107  -6.228210      6.823955  
1 1 1 2   85  14 o 60.033  2.6162  1963.57    170.109  2082.10    412.944  1939.35    186.685  60.620  6.3853  59.621  2.8909  0.9987373      7.009281  
1 1 1 2   85  15 o 52.667  4.5260  1545.71    255.675  1372.71    401.818  1663.40    331.424  48.218  7.9725  54.204  5.7322  -5.985432      9.819326  
1 1 1 2   85  16 o 80.212  3.5759  3542.02    310.670  3357.76    480.844  3674.06    407.032  76.885  5.8173  81.116  4.6523  -4.231270      7.448819  
1 1 1 2   85  17 o 66.985  4.0202  2493.60    290.322  2482.86    477.458  2499.90    365.694  65.296  6.8534  66.552  5.1123  -1.256218      8.550117  
1 1 1 2   85  18 o 54.103  4.2685  1638.83    248.100  1651.42    555.044  1635.69    277.350  50.495  10.491  53.817  4.8088  -3.322701      11.54095  
1 1 1 2   85  19 o 39.461  2.0323  851.388    86.565   544.896    521.747  860.064    87.782   30.099  11.496  39.658  2.0506  -9.558990      11.67699  
1 1 1 2   85  20 o 43.704  5.4498  1106.00    252.365  0.0000     0.0000   1106.00    252.365  ?       ?       43.704  5.4498  0.000000       5.449758  
1 1 1 2   85  21 o 20.691  8.5652  150.121    313.458  0.0000     0.0000   150.121    313.458  ?       ?       20.691  8.5652  0.000000       8.565223  
1 1 1 2   85  22 f 24.583  8.9629  358.540    309.937  0.0000     0.0000   358.540    309.937  ?       ?       24.583  8.9629  0.000000       8.962902  
1 1 1 2   86  0  o 85.431  2.8321  3966.43    262.051  3844.26    379.813  4077.42    362.020  83.931  4.1781  86.487  3.8647  -2.555504      5.691404  
1 1 1 2   86  1  o 58.740  2.9893  1880.73    189.554  1680.78    266.364  2085.89    269.808  55.287  4.4869  61.707  4.0596  -6.419453      6.050820  
1 1 1 2   86  2  o 71.719  2.8442  2795.66    220.934  2948.96    320.944  2657.58    304.593  73.414  4.0520  69.681  4.0534  3.732895       5.731336  
1 1 1 2   86  3  o 63.148  2.9606  2168.23    202.491  2244.98    290.629  2095.82    282.285  63.990  4.2170  61.813  4.2420  2.176151       5.981434  
1 1 1 2   86  4  f 28.574  4.8230  458.932    143.954  215.557    203.276  703.781    203.890  20.830  7.2967  35.398  5.4962  -14.56791      9.135163  
1 1 1 2   86  5  o 96.667  2.8809  5081.24    301.628  4930.42    432.119  5224.55    421.222  95.005  4.1994  97.841  3.9748  -2.836502      5.782224  
1 1 1 2   86  6  o 125.791 3.0980  8611.12    422.084  8928.82    612.306  8323.47    582.634  127.768 4.4246  123.378 4.3600  4.389511       6.211832  
1 1 1 2   86  7  o 54.330  3.6387  1616.81    212.879  1938.65    310.357  1330.85    292.545  59.265  4.8783  48.856  5.6315  10.40834       7.450639  
1 1 1 2   86  8  o 79.035  3.0965  3401.09    265.073  3031.82    388.340  3723.23    362.710  74.177  4.8605  82.534  4.0575  -8.356804      6.331489  
1 1 1 2   86  9  o 23.156  6.7967  304.077    181.620  187.031    262.334  411.821    251.695  21.372  8.1540  26.857  8.0311  -5.484592      11.44487  
1 1 1 2   86  10 o 57.793  3.9232  1834.50    244.126  1586.06    369.913  2026.19    324.935  53.028  6.5821  60.495  5.0041  -7.467361      8.268297  
1 1 1 2   86  11 o 81.785  3.3937  3649.98    300.617  3439.80    442.627  3829.94    409.568  78.827  5.2138  83.406  4.5510  -4.579002      6.920637  
1 1 1 2   86  12 o 163.210 3.5825  14562.78   633.298  14440.56   912.045  14676.57   880.050  161.678 5.2083  163.131 4.9808  -1.453232      7.206591  
1 1 1 2   86  13 o 124.433 3.3453  8464.03    450.860  7938.08    670.500  8898.11    609.133  119.733 5.1703  127.141 4.4234  -7.408592      6.804284  
1 1 1 2   86  14 o 32.066  5.8331  591.922    195.127  432.125    368.086  654.380    230.122  27.934  9.8170  33.523  6.5728  -5.589169      11.81417  
1 1 1 2   86  15 o 18.216  7.1378  126.640    204.958  -3.2972    358.394  189.787    249.846  20.108  8.7628  20.751  7.9478  -0.6426945     11.83024  
1 1 1 2   86  16 o 47.600  4.8334  1277.66    245.733  1489.92    396.817  1145.63    312.961  50.121  7.5435  44.235  6.7456  5.886047       10.11970  
1 1 1 2   86  17 o 68.511  4.0547  2611.08    299.539  2686.32    468.266  2558.98    389.698  68.172  6.4174  67.140  5.4047  1.031494       8.390093  
1 1 1 2   86  18 o 26.087  8.2381  412.192    260.384  192.576    504.448  491.958    304.015  25.160  10.669  28.211  8.9009  -3.050497      13.89419  
1 1 1 2   86  19 o 39.355  1.6424  842.767    70.007   483.615    520.285  849.389    70.649   29.020  11.372  39.508  1.6510  -10.48862      11.49125  
1 1 1 2   86  20 o 43.190  7.0766  1128.11    319.570  0.0000     0.0000   1128.11    319.570  ?       ?       43.190  7.0766  0.000000       7.076638  
1 1 1 2   86  21 o 21.491  8.8124  180.594    327.720  0.0000     0.0000   180.594    327.720  ?       ?       21.491  8.8124  0.000000       8.812422  
1 1 1 2   87  0  o 33.026  4.3252  605.771    150.995  513.687    204.118  717.061    224.399  29.948  6.4810  35.617  6.0323  -5.668791      8.853925  
1 1 1 2   87  1  o 12.095  5.1814  -5.0246    121.168  134.236    170.045  -148.6693  172.701  17.735  6.6084  11.968  5.5558  5.766993       8.633595  
1 1 1 2   87  2  o 145.906 3.2861  11588.83   519.315  11261.47   737.258  11911.19   731.620  143.429 4.7458  147.564 4.5776  -4.134567      6.593711  
1 1 1 2   87  3  o 124.526 3.0760  8436.66    414.874  8251.37    591.839  8615.67    581.732  122.843 4.4482  125.571 4.2772  -2.727936      6.170996  
1 1 1 2   87  4  o 91.092  2.9440  4513.17    290.457  4512.05    412.435  4514.27    409.122  90.880  4.1900  90.909  4.1551  -0.2886963E-01 5.900925  
1 1 1 2   87  5  o 79.076  3.0259  3402.36    259.164  3047.72    394.679  3671.20    343.629  74.397  4.9259  82.019  3.8682  -7.621887      6.263138  
1 1 1 2   87  6  o 81.948  3.0987  3655.50    275.032  3627.58    400.182  3680.49    378.621  81.267  4.5650  81.928  4.2817  -0.6613007     6.258701  
1 1 1 2   87  7  o 52.861  3.7157  1532.42    211.388  1747.70    308.399  1341.65    290.314  56.169  5.1257  49.048  5.5632  7.121319       7.564557  
1 1 1 2   87  8  o 128.867 3.1549  9046.71    440.348  9143.29    631.979  8955.57    613.908  129.154 4.5178  127.850 4.4334  1.304329       6.329675  
1 1 1 2   87  9  o 85.506  3.2889  3985.94    304.589  3980.50    432.221  3991.31    429.302  85.025  4.7119  85.152  4.6726  -0.1273117     6.635882  
1 1 1 2   87  10 o 90.892  2.9473  4499.31    290.149  3926.74    469.692  4852.63    368.967  84.271  5.1709  94.260  3.6140  -9.989220      6.308683  
1 1 1 2   87  11 o 28.819  6.8222  482.603    209.646  358.009    332.159  565.100    270.283  26.278  9.3163  31.020  7.9944  -4.741840      12.27616  
1 1 1 2   87  12 o 82.917  3.4018  3758.03    305.508  3865.35    458.727  3672.49    409.549  83.468  5.0986  81.513  4.6582  1.954460       6.906119  
1 1 1 2   87  13 o 87.686  2.9815  4199.03    283.164  3697.43    484.086  4459.94    349.123  81.285  5.5314  90.204  3.5734  -8.919853      6.585244  
1 1 1 2   87  14 o 38.144  5.5714  830.545    223.390  897.456    380.341  795.306    276.015  38.207  9.2826  36.721  7.1971  1.485523       11.74585  
1 1 1 2   87  15 o 18.176  7.1481  125.346    206.222  207.327    361.702  85.862     251.017  23.277  9.3628  18.579  7.6758  4.697834       12.10697  
1 1 1 2   87  16 o 77.367  3.7071  3303.46    310.646  3183.80    472.987  3394.22    411.951  74.695  5.8943  77.733  4.9183  -3.038124      7.676724  
1 1 1 2   87  17 o 33.144  6.6108  652.888    228.997  830.194    364.253  537.014    294.466  36.208  9.2534  29.435  8.6585  6.773561       12.67257  
1 1 1 2   87  18 f 19.955  8.1251  136.913    276.146  -70.3022   502.071  226.786    330.652  22.113  9.9588  22.700  9.0117  -0.5864220     13.43087  
1 1 1 2   87  19 o 39.637  1.8749  856.313    80.492   77.922     528.302  874.812    81.443   23.895  10.520  40.063  1.8769  -16.16776      10.68585  
1 1 1 2   87  20 o 20.470  8.0841  186.891    264.799  0.0000     0.0000   186.891    264.799  ?       ?       20.470  8.0841  0.000000       8.084104  
1 1 1 2   87  21 o 20.418  8.1234  182.136    269.221  0.0000     0.0000   182.136    269.221  ?       ?       20.418  8.1234  0.000000       8.123381  
1 1 1 2   88  0  o 53.177  3.0773  1543.70    176.482  1498.90    253.766  1585.66    245.600  52.152  4.5378  53.706  4.2571  -1.553429      6.222045  
1 1 1 2   88  1  o 118.356 3.0210  7620.77    387.271  6991.90    550.413  8237.32    544.995  113.057 4.4949  122.817 4.0970  -9.760551      6.081889  
1 1 1 2   88  2  o 109.657 2.9282  6540.20    347.779  6402.49    497.536  6671.78    486.323  108.240 4.2439  110.535 4.0621  -2.294632      5.874673  
1 1 1 2   88  3  o 23.188  5.6501  307.569    140.598  233.856    201.944  376.912    195.867  21.299  7.2823  25.633  6.9015  -4.334082      10.03309  
1 1 1 2   88  4  o 112.024 3.0166  6828.88    366.021  6914.41    528.104  6749.81    507.758  112.437 4.3365  111.120 4.2189  1.317085       6.050118  
1 1 1 2   88  5  o 153.786 3.3513  12886.65   558.214  13105.07   793.908  12673.08   785.033  154.610 4.7409  152.030 4.7675  2.580017       6.723484  
1 1 1 2   88  6  o 89.985  2.9704  4407.19    289.499  4636.42    425.890  4210.29    394.712  92.049  4.2718  87.742  4.1534  4.307213       5.958092  
1 1 1 2   88  7  o 43.017  4.5579  1025.34    209.126  1059.99    331.730  1002.49    269.402  43.002  7.3886  42.164  6.0744  0.8381882      9.565064  
1 1 1 2   88  8  o 56.269  3.8467  1738.05    233.032  1565.38    354.678  1869.21    309.115  52.771  6.3318  58.112  4.9586  -5.341457      8.042349  
1 1 1 2   88  9  o 38.756  2.1711  818.445    90.768   819.440    94.949   807.878    309.273  38.769  2.2711  37.230  7.9136  1.539070       8.233039  
1 1 1 2   88  10 o 50.564  4.4609  1414.51    241.801  1429.35    349.950  1400.95    334.490  50.220  6.5930  49.791  6.3467  0.4286461      9.151446  
1 1 1 2   88  11 o 31.259  6.6198  566.450    217.152  811.974    338.468  394.686    283.097  36.980  8.6111  26.486  8.6130  10.49402       12.17930  
1 1 1 2   88  12 o 102.696 3.2816  5767.37    365.017  5709.43    538.792  5816.52    496.251  101.577 4.8973  102.712 4.4608  -1.134872      6.624340  
1 1 1 2   88  13 o 61.107  3.7754  2060.29    248.654  1822.81    405.530  2203.37    314.768  56.310  6.7859  62.906  4.6529  -6.595726      8.227863  
1 1 1 2   88  14 o 104.090 3.4286  5953.12    386.544  5857.17    592.054  6024.41    510.319  102.058 5.3750  104.158 4.5235  -2.100021      7.025149  
1 1 1 2   88  15 o 30.549  6.8371  555.375    220.581  296.232    381.471  685.545    270.364  25.108  9.7656  33.729  7.5847  -8.621758      12.36505  
1 1 1 2   88  16 o 36.479  5.9776  774.008    227.996  528.841    385.420  905.983    282.780  29.479  10.061  39.106  6.9300  -9.626846      12.21641  
1 1 1 2   88  17 o 83.653  3.6093  3866.92    327.018  3380.12    509.171  4208.69    426.644  76.533  6.1956  86.648  4.5621  -10.11505      7.694074  
1 1 1 2   88  18 o 62.787  4.6604  2225.57    314.665  1977.54    569.431  2334.61    377.546  55.518  9.8295  63.802  5.5177  -8.284752      11.27230  
1 1 1 2   88  19 o ?       ?       -361.6621  34.958   0.0000     0.0000   -361.6621  34.958   ?       ?       ?       ?       0.000000       ?         
1 1 1 2   88  20 o 19.818  8.4497  83.395     319.488  0.0000     0.0000   83.395     319.488  ?       ?       19.818  8.4497  0.000000       8.449661  
1 1 1 2   89  0  o 105.722 2.9398  6080.59    336.631  5535.52    479.034  6612.37    473.155  100.590 4.3969  110.042 3.9698  -9.452393      5.923850  
1 1 1 2   89  1  o 132.052 3.1257  9492.37    447.060  8959.59    634.807  10016.61   629.699  127.914 4.5820  135.339 4.2957  -7.425323      6.280757  
1 1 1 2   89  2  f 86.158  2.9108  4038.31    271.625  4060.57    392.465  4017.84    376.316  86.183  4.2045  85.757  4.0515  0.4258041      5.838833  
1 1 1 2   89  3  o 85.825  3.0116  4008.86    279.949  4056.12    410.763  3967.87    382.556  85.973  4.4262  85.197  4.1457  0.7762985      6.064541  
1 1 1 2   89  4  o 82.662  2.4864  3713.28    222.609  3815.88    285.032  3552.84    356.437  83.709  3.1438  80.515  4.1009  3.194038       5.167225  
1 1 1 2   89  5  o 14.394  6.0185  23.951     156.999  -124.3771  229.274  154.911    215.433  14.685  6.6606  19.481  7.3994  -4.795379      9.955699  
1 1 1 2   89  6  o 26.002  6.0883  388.722    168.443  401.773    281.883  381.473    210.076  26.833  8.5819  25.772  7.2314  1.061623       11.22243  
1 1 1 2   89  7  o 40.769  4.8943  925.712    211.799  932.402    303.959  919.399    295.286  40.300  7.2294  40.058  7.0640  0.2413216      10.10759  
1 1 1 2   89  8  o 75.085  3.3500  3075.31    272.439  3064.33    407.856  3084.16    366.093  74.437  5.0893  74.837  4.5380  -0.4002304     6.818693  
1 1 1 2   89  9  o 21.262  7.1350  240.769    193.819  371.098    292.246  138.434    258.966  26.078  8.7612  20.187  7.9875  5.890688       11.85580  
1 1 1 2   89  10 o 51.096  4.4550  1445.85    244.084  1171.08    353.655  1695.79    337.298  45.003  7.5210  54.986  5.7485  -9.983513      9.466283  
1 1 1 2   89  11 o 106.287 3.2833  6176.04    377.975  6171.86    552.999  6179.71    517.810  105.673 4.8316  105.875 4.5155  -0.2024002     6.613191  
1 1 1 2   89  12 o 15.804  1.4577  136.703    24.670   -440.7077  335.089  139.850    24.738   14.922  7.1624  15.988  1.4441  -1.065508      7.306534  
1 1 1 2   89  13 o 46.590  4.6405  1216.45    231.052  907.785    379.086  1398.89    291.443  38.359  9.2351  49.666  5.5107  -11.30674      10.75430  
1 1 1 2   89  14 o 48.719  4.6157  1331.37    240.652  1211.49    405.455  1396.57    299.019  44.582  8.7092  49.481  5.6825  -4.899433      10.39912  
1 1 1 2   89  15 o 40.435  5.4538  935.807    232.758  1062.56    397.872  869.859    286.992  41.346  9.1287  38.233  7.1944  3.113117       11.62292  
1 1 1 2   89  16 o 45.745  4.9579  1186.82    241.717  1227.76    404.659  1164.11    301.396  44.611  8.6873  44.645  6.4175  -0.3369522E-01 10.80065  
1 1 1 2   89  17 o 22.666  7.7632  293.266    229.501  250.934    382.087  317.158    287.051  23.986  9.6318  23.900  8.6391  0.8607483E-01  12.93853  
1 1 1 2   89  18 o 39.923  6.4949  946.075    271.186  722.394    477.073  1052.85    329.619  32.837  11.193  41.525  7.6093  -8.687855      13.53469  
1 1 1 2   89  19 o 76.919  4.6708  3349.45    387.289  0.0000     0.0000   3349.45    387.289  ?       ?       76.919  4.6708  0.000000       4.670805  
1 1 1 2   89  20 o 44.022  7.3123  1181.24    336.418  0.0000     0.0000   1181.24    336.418  ?       ?       44.022  7.3123  0.000000       7.312274  
1 1 1 2   90  0  o 78.839  2.8346  3381.14    242.052  3076.60    345.228  3675.62    339.472  74.874  4.2748  82.051  3.8199  -7.177338      5.732797  
1 1 1 2   90  1  o 97.629  2.8950  5185.96    306.129  5350.13    442.888  5035.77    423.617  98.922  4.1336  95.985  4.0747  2.937378       5.804326  
1 1 1 2   90  2  o 78.998  2.9472  3396.25    252.174  3571.71    370.099  3244.19    344.527  80.693  4.2496  76.917  4.1509  3.776161       5.940450  
1 1 1 2   90  3  o 33.300  4.6458  619.197    162.998  410.641    245.278  784.144    218.132  26.809  7.9069  37.337  5.5639  -10.52787      9.668244  
1 1 1 2   90  4  o 110.921 3.0124  6698.19    361.909  7071.09    524.685  6359.75    499.850  113.669 4.2617  107.795 4.2813  5.874092       6.040836  
1 1 1 2   90  5  o 38.241  4.9261  815.963    199.290  716.546    326.024  875.272    251.814  34.942  8.6585  39.338  6.1083  -4.395386      10.59629  
1 1 1 2   90  6  o 75.221  3.3206  3084.95    270.532  3057.65    408.228  3106.33    361.246  74.382  5.0979  75.151  4.4580  -0.7689590     6.772188  
1 1 1 2   90  7  o 26.573  6.8742  408.759    199.344  507.822    288.625  318.399    275.654  29.555  8.5375  24.628  8.5044  4.927319       12.05047  
1 1 1 2   90  8  o 90.430  3.2161  4460.89    315.005  4366.91    465.512  4540.27    427.837  88.937  4.8509  90.960  4.3427  -2.023010      6.510756  
1 1 1 2   90  9  f 62.242  3.6701  2126.85    246.324  1898.36    362.256  2323.35    335.941  58.185  5.8265  64.753  4.8246  -6.568138      7.564708  
1 1 1 2   90  10 o 86.533  3.3888  4095.68    317.613  4141.09    458.511  4053.79    440.382  86.408  4.9195  85.550  4.7717  0.8588257      6.853550  
1 1 1 2   90  11 o 145.311 3.4839  11572.87   548.316  11254.69   782.140  11880.36   768.901  142.353 5.0728  146.414 4.8486  -4.061096      7.017281  
1 1 1 2   90  12 f 123.266 3.2867  8330.40    438.808  8601.43    647.408  8100.07    596.812  124.395 4.8051  120.871 4.5588  3.524216       6.623567  
1 1 1 2   90  13 o 46.377  4.6791  1207.75    231.823  1452.76    383.174  1066.29    291.154  49.721  7.3355  42.859  6.4738  6.862240       9.783654  
1 1 1 2   90  14 o 61.027  4.0264  2068.31    264.643  1547.97    433.897  2376.54    333.951  50.809  8.1608  65.117  4.7681  -14.30866      9.451683  
1 1 1 2   90  15 o 59.918  4.2865  2004.80    276.343  2003.34    439.022  2005.76    355.635  58.423  7.0827  59.309  5.6026  -0.8862839     9.030711  
1 1 1 2   90  16 o 24.470  7.5558  357.507    220.376  369.176    381.921  351.682    269.828  26.158  9.8722  24.622  8.4178  1.536430       12.97376  
1 1 1 2   90  17 o 23.081  7.7210  310.617    226.960  379.148    386.790  274.632    280.284  26.215  9.9249  22.822  8.4882  3.393408       13.05962  
1 1 1 2   90  18 o 27.659  9.0464  479.259    312.135  0.0000     0.0000   479.259    312.135  ?       ?       27.659  9.0464  0.000000       9.046381  
1 1 1 2   90  19 o 20.789  8.5492  153.048    309.527  0.0000     0.0000   153.048    309.527  ?       ?       20.789  8.5492  0.000000       8.549157  
1 1 1 2   91  0  o 77.239  2.9354  3246.81    245.570  3009.18    350.596  3475.69    344.072  74.007  4.3935  79.750  3.9834  -5.742645      5.930441  
1 1 1 2   91  1  o 121.589 3.0759  8049.90    405.073  7974.47    580.840  8121.31    565.199  120.663 4.4444  121.818 4.2837  -1.154549      6.172744  
1 1 1 2   91  2  o 76.863  3.0670  3216.92    255.327  3471.27    375.962  2999.19    347.849  79.503  4.3830  73.886  4.3661  5.616486       6.186544  
1 1 1 2   91  3  o 92.172  2.9214  4624.03    291.646  4765.64    420.253  4492.48    405.065  93.333  4.1572  90.626  4.1267  2.707611       5.857662  
1 1 1 2   91  4  o 42.295  4.3147  989.501    194.887  1202.12    298.803  832.091    257.098  46.218  6.1195  38.237  6.4366  7.981457       8.881302  
1 1 1 2   91  5  o 71.517  3.5029  2791.40    271.332  2572.55    403.196  2972.55    366.822  68.058  5.5172  73.449  4.6348  -5.390480      7.205619  
1 1 1 2   91  6  o 105.418 3.1740  6058.87    362.401  5802.87    531.939  6280.62    495.070  102.731 4.7807  107.040 4.2702  -4.308662      6.410142  
1 1 1 2   91  7  o 22.431  7.3530  274.431    206.174  292.660    314.679  260.720    272.909  24.616  9.0227  23.169  8.4161  1.447176       12.33855  
1 1 1 2   91  8  o 29.372  1.3616  467.865    43.316   471.134    44.099   378.249    230.894  29.473  1.3814  25.651  7.6970  3.822811       7.819949  
1 1 1 2   91  9  o 53.812  4.0319  1598.93    233.287  1613.95    346.231  1586.44    315.714  53.422  6.0927  53.145  5.5675  0.2778664      8.253366  
1 1 1 2   91  10 o 25.287  7.4867  372.612    219.540  269.033    322.546  462.018    299.667  24.004  9.0692  28.095  8.8333  -4.090387      12.66008  
1 1 1 2   91  11 o 77.476  3.5619  3296.67    298.891  3274.86    434.721  3316.23    411.616  76.416  5.2848  77.057  4.9582  -0.6404724     7.246561  
1 1 1 2   91  12 f 55.279  2.7957  1674.78    166.841  1472.37    189.788  2363.29    350.031  51.669  3.4105  64.895  5.0189  -13.22595      6.068047  
1 1 1 2   91  13 o 77.551  3.5983  3310.96    302.242  3031.24    459.390  3524.44    401.337  73.025  5.8574  79.437  4.6853  -6.411995      7.500803  
1 1 1 2   91  14 o 113.444 3.4191  7081.26    420.107  6761.37    629.338  7338.38    564.222  109.645 5.2994  114.797 4.5378  -5.152122      6.976767  
1 1 1 2   91  15 o 61.605  4.0627  2113.87    269.557  2101.88    445.603  2120.79    338.520  59.847  7.0070  61.196  5.1553  -1.348949      8.699162  
1 1 1 2   91  16 o 42.327  5.3382  1028.33    239.284  1344.37    407.635  862.175    295.565  46.770  8.3535  37.701  7.5022  9.069630       11.22778  
1 1 1 2   91  17 o 35.831  6.6901  768.279    250.089  460.699    404.399  958.758    318.240  27.808  10.223  39.569  7.7027  -11.76069      12.80000  
1 1 1 2   91  18 o 46.757  9.4651  1410.51    462.897  0.0000     0.0000   1410.51    462.897  ?       ?       46.757  9.4651  0.000000       9.465121  
1 1 1 2   91  19 o 51.043  6.1997  1530.74    335.716  0.0000     0.0000   1530.74    335.716  ?       ?       51.043  6.1997  0.000000       6.199697  
1 1 1 2   92  0  o 47.512  3.5368  1238.45    180.702  1204.59    262.432  1268.98    249.185  46.480  5.3081  47.824  4.8790  -1.344353      7.209761  
1 1 1 2   92  1  o 39.353  3.8389  854.043    161.541  926.111    232.905  787.232    224.248  40.650  5.4254  37.349  5.7260  3.300274       7.888129  
1 1 1 2   92  2  o 22.453  6.0258  288.745    149.599  390.701    234.026  218.294    194.536  26.138  7.7275  20.658  7.1437  5.479717       10.52363  
1 1 1 2   92  3  o 35.246  5.4032  700.162    199.691  723.476    285.724  677.901    279.199  35.252  7.6989  34.098  7.7374  1.154449       10.91513  
1 1 1 2   92  4  o 57.075  4.0347  1791.79    247.814  1805.35    355.805  1779.01    345.353  56.812  5.8668  56.433  5.7296  0.3788528      8.200441  
1 1 1 2   92  5  o 33.516  5.5849  636.964    195.603  690.617    299.500  597.058    258.299  34.276  8.1810  31.966  7.5762  2.310770       11.15022  
1 1 1 2   92  6  o 39.464  5.0336  872.138    210.259  793.265    332.169  924.868    271.595  36.627  8.5318  40.260  6.4458  -3.633579      10.69301  
1 1 1 2   92  7  o 85.620  3.3302  4005.05    308.831  4185.29    453.654  3849.39    421.610  86.979  4.8346  83.460  4.6830  3.518959       6.730783  
1 1 1 2   92  8  o 41.810  5.0861  981.471    225.581  968.080    330.630  993.134    308.552  40.612  7.8000  41.389  7.1409  -0.7768707     10.57505  
1 1 1 2   92  9  o 53.964  4.0414  1610.87    234.498  1481.61    349.480  1716.72    316.262  50.907  6.4857  55.295  5.3474  -4.388676      8.405906  
1 1 1 2   92  10 o 45.367  4.3946  1148.22    213.235  1065.67    350.582  1196.69    268.639  42.352  7.9343  45.952  5.5072  -3.600994      9.658279  
1 1 1 2   92  11 f 15.695  6.8136  -12.3427   214.999  222.838    320.772  -204.1759  289.706  22.874  8.9388  15.614  7.2297  7.260261       11.49652  
1 1 1 2   92  12 o 43.995  5.2913  1098.51    247.079  685.715    379.198  1403.06    325.714  33.167  9.8438  49.389  6.2273  -16.22191      11.64820  
1 1 1 2   92  13 o 44.226  5.1761  1109.97    243.253  857.447    385.323  1277.29    313.656  36.938  9.5581  46.984  6.3242  -10.04641      11.46092  
1 1 1 2   92  14 o 19.530  7.3747  177.105    213.203  486.127    381.265  36.508     257.170  28.595  9.9944  17.800  7.5848  10.79583       12.54664  
1 1 1 2   92  15 o 41.807  5.4344  1003.82    240.256  655.542    411.932  1183.38    295.773  31.989  10.389  45.065  6.2259  -13.07601      12.11171  
1 1 1 2   92  16 o 29.436  7.5603  532.391    242.303  461.369    394.833  575.297    306.888  27.856  10.122  30.208  8.8259  -2.352863      13.42973  
1 1 1 2   92  17 o 22.340  7.6857  286.601    225.038  200.997    393.471  328.214    274.336  23.212  9.6017  23.887  8.4668  -0.6746635     12.80155  
1 1 1 2   92  18 o 40.006  11.421  1116.97    519.365  0.0000     0.0000   1116.97    519.365  ?       ?       40.006  11.421  0.000000       11.42131  
1 1 1 2   93  0  o 126.731 3.1322  8754.52    429.938  8255.40    609.125  9250.04    606.928  122.610 4.5868  129.890 4.3141  -7.279839      6.296832  
1 1 1 2   93  1  o 54.383  3.5416  1621.79    207.474  1450.65    309.406  1761.61    279.668  50.906  5.7101  56.453  4.6143  -5.547001      7.341431  
1 1 1 2   93  2  o 32.311  5.9631  596.132    200.999  572.076    288.925  618.693    279.805  31.220  8.3723  32.480  8.0050  -1.260187      11.58341  
1 1 1 2   93  3  o 64.400  3.5198  2271.99    244.582  2165.49    349.019  2374.77    342.845  62.442  5.2082  65.509  4.8668  -3.067059      7.128134  
1 1 1 2   93  4  o 87.178  3.1492  4145.54    297.359  3806.11    431.618  4452.19    410.254  83.001  4.8219  90.092  4.2043  -7.091537      6.397443  
1 1 1 2   93  5  o 75.302  3.4444  3098.89    280.928  3042.46    416.766  3145.89    380.316  74.004  5.2333  75.446  4.6772  -1.442558      7.018806  
1 1 1 2   93  6  o 44.604  4.6251  1107.72    220.193  1122.43    317.832  1094.16    305.343  44.208  6.8602  43.705  6.6610  0.5024796      9.562004  
1 1 1 2   93  7  o 78.941  3.4299  3410.78    293.262  3696.93    432.286  3166.79    399.163  81.597  4.9143  75.501  4.9078  6.095520       6.945289  
1 1 1 2   93  8  o 62.987  3.8115  2187.27    258.801  2185.93    377.212  2188.46    355.731  62.317  5.6501  62.492  5.3058  -0.1751518     7.750866  
1 1 1 2   93  9  o 35.722  5.6433  730.690    211.092  983.021    320.254  536.838    280.701  40.814  7.5217  29.875  8.3506  10.93871       11.23876  
1 1 1 2   93  10 o 65.396  3.7414  2361.28    263.907  2120.97    396.856  2551.81    353.362  61.009  6.0870  67.555  4.8619  -6.546066      7.790354  
1 1 1 2   93  11 o 36.844  5.7984  781.261    223.744  582.431    348.807  920.268    291.651  30.856  9.5022  39.539  7.0698  -8.682859      11.84375  
1 1 1 2   93  12 o 30.181  6.9230  542.350    221.492  468.159    361.623  586.893    280.201  28.266  9.7418  31.034  8.2094  -2.768297      12.73958  
1 1 1 2   93  13 o 16.177  6.8089  39.121     203.040  -438.0278  358.100  265.194    246.491  15.489  7.4263  22.342  8.0143  -6.853277      10.92607  
1 1 1 2   93  14 o 48.552  4.7374  1330.61    245.954  1505.50    419.486  1238.99    303.617  49.922  8.0304  46.167  6.2311  3.754971       10.16429  
1 1 1 2   93  15 o 55.450  4.6111  1732.33    274.424  1450.22    441.581  1909.84    350.277  48.363  8.7522  57.678  5.6807  -9.315037      10.43411  
1 1 1 2   93  16 o 14.026  6.3902  -104.3446  214.088  -232.3797  379.339  -44.5034   259.336  17.683  8.2174  16.437  7.2964  1.246527       10.98924  
1 1 1 2   93  17 o 20.329  7.9776  181.391    256.346  620.037    764.314  125.794    272.107  32.337  13.380  19.577  8.0290  12.76045       15.60382  
1 1 1 2   94  0  o 79.551  3.2781  3454.28    282.444  3447.51    421.449  3459.81    380.549  78.928  4.9551  79.232  4.4525  -0.3039246     6.661655  
1 1 1 2   94  1  o 14.535  6.1697  10.352     168.976  30.157     246.324  -7.2528    232.233  17.703  7.4780  16.569  7.1370  1.134314       10.33715  
1 1 1 2   94  2  o 15.645  6.2785  69.355     162.242  79.272     247.819  61.917     214.631  18.657  7.6583  17.274  7.1131  1.383013       10.45204  
1 1 1 2   94  3  o 130.512 3.2577  9301.88    460.502  9412.51    666.049  9200.56    637.393  130.697 4.7051  129.288 4.5517  1.408569       6.546495  
1 1 1 2   94  4  o 68.914  3.3667  2596.12    251.293  2617.38    369.177  2577.76    343.026  68.641  5.0001  68.226  4.6701  0.4147034      6.841858  
1 1 1 2   94  5  o 81.518  3.3872  3635.03    299.066  3551.10    441.392  3706.26    406.630  79.905  5.1272  81.844  4.6058  -1.939087      6.892131  
1 1 1 2   94  6  f 152.615 3.5062  12759.84   579.562  12455.05   823.904  13058.38   815.411  149.841 5.0766  153.550 4.9029  -3.709015      7.057673  
1 1 1 2   94  7  o 47.916  2.2735  1249.96    117.993  1255.89    127.259  1213.62    314.990  47.947  2.4588  45.962  6.5095  1.985107       6.958345  
1 1 1 2   94  8  o 34.744  6.0762  697.589    220.331  831.285    325.282  584.243    299.503  37.160  8.2922  31.082  8.6038  6.078074       11.94931  
1 1 1 2   94  9  o 43.807  2.3092  1048.50    109.180  1019.00    117.161  1243.15    300.953  43.148  2.5179  46.574  6.1138  -3.425369      6.611958  
1 1 1 2   94  10 o 65.762  3.7439  2388.62    265.567  2195.90    400.369  2540.03    354.872  62.087  6.0298  67.362  4.8974  -5.275635      7.768075  
1 1 1 2   94  11 o 40.560  5.3334  936.773    228.621  1005.53    357.110  889.021    297.602  40.722  8.3762  38.680  7.3727  2.041351       11.15876  
1 1 1 2   94  12 o 27.508  7.3057  454.539    221.333  4.8953     359.319  729.463    280.965  20.129  8.7728  34.771  7.6667  -14.64236      11.65073  
1 1 1 2   94  13 o 63.116  3.9578  2214.11    269.192  2304.70    430.622  2156.00    344.886  63.141  6.3844  61.706  5.2090  1.435013       8.239811  
1 1 1 2   94  14 o 34.677  6.7072  715.617    242.805  226.230    402.046  996.585    304.633  24.027  9.7960  40.852  7.1450  -16.82481      12.12488  
1 1 1 2   94  15 o 52.045  4.6389  1529.55    258.750  954.221    439.704  1834.31    320.028  38.005  10.386  56.703  5.2712  -18.69860      11.64717  
1 1 1 2   94  16 o 27.875  7.4761  477.734    230.370  335.445    400.882  547.890    281.490  25.550  9.9905  29.549  8.3988  -3.998569      13.05186  
1 1 1 2   94  17 o 23.463  9.1332  271.543    333.869  777.185    777.100  157.081    369.732  34.152  13.728  22.144  9.2456  12.00818       16.55138  
1 1 1 2   95  0  o 22.182  6.7080  279.692    174.875  185.391    277.833  341.564    225.046  21.521  8.3443  24.503  7.6469  -2.981644      11.31824  
1 1 1 2   95  1  o 18.120  6.5739  155.834    166.439  157.134    253.443  154.848    220.700  20.344  7.9467  19.469  7.4668  0.8743000      10.90433  
1 1 1 2   95  2  o 18.510  6.7552  161.292    176.117  -83.7620   253.114  391.279    245.209  16.035  7.1574  26.034  7.9588  -9.999352      10.70374  
1 1 1 2   95  3  o 34.868  5.5571  691.878    202.825  737.028    290.276  648.807    283.518  35.317  7.7971  33.054  8.0044  2.262383       11.17430  
1 1 1 2   95  4  o 95.415  3.2522  4979.43    336.093  5013.52    489.363  4948.99    462.398  95.213  4.7453  94.694  4.5084  0.5190887      6.545492  
1 1 1 2   95  5  o 88.271  3.2605  4264.22    311.724  4327.09    448.034  4205.23    433.991  88.307  4.7012  87.088  4.6175  1.218529       6.589586  
1 1 1 2   95  6  o 68.371  3.6742  2574.74    271.090  2688.92    402.562  2480.00    366.700  69.208  5.4135  66.572  5.1251  2.635765       7.454738  
1 1 1 2   95  7  o 26.022  7.3076  400.021    214.436  361.299    328.415  428.798    283.119  25.884  9.2543  27.050  8.5954  -1.165306      12.63025  
1 1 1 2   95  8  o 22.092  7.5130  267.013    214.932  188.915    314.935  335.099    294.058  22.171  8.7971  24.848  8.7703  -2.676775      12.42204  
1 1 1 2   95  9  o 42.734  4.9177  1029.30    223.466  1065.07    337.269  1001.32    298.355  42.391  7.6261  41.390  6.8981  1.000744       10.28301  
1 1 1 2   95  10 o 21.636  7.4335  255.159    210.478  119.957    332.999  345.109    271.615  21.278  8.8199  24.734  8.4456  -3.456192      12.21146  
1 1 1 2   95  11 o 23.260  7.4773  312.214    213.778  460.650    339.573  214.760    275.147  27.928  9.4437  21.732  8.3366  6.195210       12.59694  
1 1 1 2   95  12 o 60.101  2.5466  1973.95    165.770  1426.47    401.558  2086.42    182.001  48.792  7.8660  61.750  2.7212  -12.95779      8.323367  
1 1 1 2   95  13 o 7.4860  2.9043  19.502     33.673   725.525    370.647  13.627     33.813   33.736  9.6544  7.1591  2.8686  26.57702       10.07159  
1 1 1 2   95  14 o 17.326  1.2885  163.888    24.006   255.817    36.079   90.853     32.159   21.638  1.5497  12.686  2.4290  8.952277       2.881242  
1 1 1 2   95  15 o ?       ?       -213.7442  26.888   88.123     393.590  -215.1596  26.951   21.713  9.3211  ?       ?       0.000000       9.321095  
1 1 1 2   95  16 o 17.947  7.7327  28.560     272.784  -721.3002  735.174  148.281    293.754  21.729  10.475  20.507  8.3686  1.221443       13.40738  
1 1 1 2   96  0  o 48.387  4.1119  1297.16    213.453  1272.44    316.087  1317.89    289.410  47.204  6.3430  48.307  5.6374  -1.103619      8.486094  
1 1 1 2   96  1  o 47.889  4.2045  1272.27    215.876  1318.16    299.583  1222.70    311.346  48.229  5.8551  46.234  6.3881  1.995575       8.665424  
1 1 1 2   96  2  o 40.975  4.6338  939.369    202.035  893.226    286.116  985.258    285.327  39.170  7.0009  41.334  6.5949  -2.164230      9.617986  
1 1 1 2   96  3  o 68.578  3.5642  2586.28    263.829  2544.29    387.952  2622.41    359.853  67.376  5.3605  68.607  4.8744  -1.230934      7.245319  
1 1 1 2   96  4  o 65.295  3.5953  2346.87    253.289  2266.19    363.339  2423.15    353.282  63.549  5.3279  65.866  4.9891  -2.316677      7.299185  
1 1 1 2   96  5  o 40.725  5.2856  939.077    227.650  763.322    346.333  1072.78    302.076  35.372  9.0138  43.047  6.6966  -7.674381      11.22912  
1 1 1 2   96  6  o 54.974  4.0581  1674.91    239.923  1426.46    346.601  1903.48    332.446  49.775  6.5912  58.158  5.3372  -8.382862      8.481171  
1 1 1 2   96  7  o 50.138  4.5147  1403.19    242.540  1421.31    365.668  1388.96    324.089  49.459  7.0234  49.241  6.2152  0.2183838      9.378473  
1 1 1 2   96  8  o 123.397 3.2663  8349.32    436.543  8406.69    615.880  8291.39    618.861  123.062 4.6206  122.178 4.6766  0.8831482      6.574246  
1 1 1 2   96  9  o 67.455  3.6378  2511.18    264.801  2185.79    392.164  2783.85    359.000  61.966  5.9149  70.590  4.7227  -8.624062      7.569050  
1 1 1 2   96  10 o 78.139  3.5910  3361.58    303.918  3305.68    443.533  3411.07    417.279  76.542  5.3843  77.990  4.9657  -1.448265      7.324586  
1 1 1 2   96  11 o 49.031  4.7422  1353.31    248.689  1139.47    375.585  1520.26    331.860  43.306  8.3097  51.393  6.0797  -8.087307      10.29627  
1 1 1 2   96  12 o 61.782  4.1446  2127.71    275.737  1924.43    413.859  2289.97    369.758  57.394  6.7891  63.472  5.4309  -6.077736      8.694017  
1 1 1 2   96  13 o 96.046  3.5077  5090.93    364.896  4985.34    542.345  5178.27    493.225  93.746  5.3636  96.128  4.7372  -2.381668      7.156114  
1 1 1 2   96  14 o 36.335  6.1690  776.642    234.094  750.117    414.150  789.095    283.775  33.822  10.344  35.987  7.5226  -2.165672      12.79002  
1 1 1 2   96  15 o 81.543  3.6580  3681.84    323.074  3448.28    521.788  3827.04    411.423  77.058  6.3070  82.481  4.6240  -5.422836      7.820500  
1 1 1 2   97  0  o 58.962  3.6713  1916.22    233.292  1952.08    344.262  1885.78    317.242  58.902  5.4582  58.023  5.0997  0.8789597      7.469902  
1 1 1 2   97  1  o 145.363 3.3873  11580.82   533.315  10872.89   766.046  12246.66   742.927  139.833 5.0580  148.732 4.6118  -8.898819      6.844840  
1 1 1 2   97  2  o 22.722  6.7656  298.311    178.909  447.379    261.716  167.539    245.129  27.493  8.1821  20.240  7.8405  7.253593       11.33228  
1 1 1 2   97  3  o 99.033  3.1278  5367.12    335.498  5683.52    485.896  5078.83    463.807  101.384 4.4249  95.819  4.4690  5.564690       6.289032  
1 1 1 2   97  4  o 55.166  4.1085  1686.88    243.724  1710.74    363.799  1667.45    328.286  54.753  6.2464  54.291  5.6663  0.4617119      8.433541  
1 1 1 2   97  5  o 121.627 3.2686  8105.87    430.581  7911.72    614.739  8292.85    603.288  119.386 4.7541  122.352 4.5525  -2.965790      6.582270  
1 1 1 2   97  6  o 138.953 3.4047  10593.49   512.412  10580.84   737.082  10605.32   712.847  137.891 4.9353  138.177 4.7631  -0.2864838     6.858848  
1 1 1 2   97  7  f 49.162  4.6011  1352.13    242.145  1199.22    364.861  1472.49    323.709  44.978  7.7706  50.774  6.0024  -5.796444      9.818881  
1 1 1 2   97  8  o 79.033  3.4893  3433.43    298.686  3414.52    429.066  3451.21    416.047  78.010  5.1063  78.529  4.9163  -0.5187607     7.088319  
1 1 1 2   97  9  o 18.940  7.3401  147.879    214.917  155.530    313.386  141.086    295.298  21.410  8.6786  20.740  8.4183  0.6700840      12.09076  
1 1 1 2   97  10 o 16.347  7.0065  14.848     221.768  -164.7525  332.102  159.389    297.928  17.291  7.9091  21.078  8.4907  -3.787786      11.60365  
1 1 1 2   97  11 o 69.966  3.7924  2712.97    286.317  2473.33    427.671  2907.62    385.440  65.627  6.0859  71.854  4.9835  -6.226379      7.865934  
1 1 1 2   97  12 o 69.023  3.9245  2647.94    292.178  2237.33    438.181  2976.65    392.060  61.968  6.6315  72.618  5.0155  -10.64989      8.314534  
1 1 1 2   97  13 o 71.781  3.7763  2861.41    292.559  3011.50    455.464  2755.98    381.717  72.410  5.8576  69.743  5.0883  2.666695       7.759065  
1 1 1 2   97  14 o 63.236  4.1542  2235.25    282.945  1877.11    466.855  2443.17    355.721  55.674  7.9695  65.650  5.0412  -9.975765      9.430094  
1 1 1 2   98  0  o 66.800  3.4514  2453.65    248.860  2518.13    363.978  2397.05    341.025  67.105  5.0447  65.547  4.8378  1.558510       6.989496  
1 1 1 2   98  1  o 39.329  4.9619  872.230    206.659  802.422    286.389  948.070    298.506  36.840  7.4337  40.255  7.1062  -3.415054      10.28385  
1 1 1 2   98  2  o 80.444  3.1770  3542.93    276.807  3318.87    397.248  3754.41    385.925  77.197  4.7745  82.315  4.3441  -5.118073      6.454988  
1 1 1 2   98  3  o 66.716  3.5063  2449.44    252.478  2701.85    384.242  2257.67    334.931  69.458  5.1442  63.559  4.9031  5.898312       7.106559  
1 1 1 2   98  4  o 59.453  3.6885  1950.42    236.348  1948.00    350.906  1952.43    319.753  58.724  5.5842  59.011  5.0515  -0.2865562     7.529992  
1 1 1 2   98  5  o 33.601  5.7994  650.882    203.435  420.095    311.041  823.411    268.932  26.983  9.0387  37.486  6.8771  -10.50349      11.35750  
1 1 1 2   98  6  o 18.921  7.1479  159.951    200.341  31.234     330.383  234.807    251.949  19.881  8.5375  21.832  8.0620  -1.950502      11.74239  
1 1 1 2   98  7  o 45.422  4.5382  1155.90    220.277  1309.60    334.387  1038.07    292.781  47.509  6.6831  42.241  6.6166  5.267906       9.404391  
1 1 1 2   98  8  o 68.573  3.6069  2595.48    266.947  2488.00    396.199  2684.83    361.256  66.277  5.5709  69.227  4.8486  -2.950264      7.385402  
1 1 1 2   98  9  o 92.637  3.3633  4718.24    337.461  4563.92    485.126  4862.91    469.730  90.179  4.9862  93.414  4.6427  -3.234779      6.812969  
1 1 1 2   98  10 o 41.333  5.3824  976.826    235.242  782.751    334.542  1166.64    330.853  35.507  8.7544  44.421  7.1170  -8.913708      11.28234  
1 1 1 2   98  11 o 47.317  4.9675  1268.84    250.782  1262.76    380.461  1273.51    333.483  45.695  7.9776  46.531  6.8194  -0.8366318     10.49504  
1 1 1 2   98  12 o 27.996  7.5881  478.485    235.848  994.397    364.857  108.180    309.111  39.958  8.6789  20.281  8.4596  19.67653       12.11974  
1 1 1 2   98  13 o 37.668  6.0419  829.419    238.163  856.504    383.500  812.414    303.860  36.517  9.5776  36.374  7.9360  0.1431427      12.43821  
1 1 1 2   98  14 o 57.650  4.6837  1874.92    289.925  1896.22    458.830  1860.77    374.063  56.120  7.7559  56.598  6.2037  -0.4782639     9.931707  
1 1 1 2   99  0  f 61.939  3.5615  2113.64    237.923  2270.51    346.910  1974.32    326.927  63.660  5.0735  59.310  5.1400  4.349247       7.222181  
1 1 1 2   99  1  o 67.276  3.3076  2481.08    241.018  2315.30    355.057  2622.75    328.223  64.255  5.1449  68.708  4.4342  -4.452698      6.792115  
1 1 1 2   99  2  o 15.107  6.4558  9.0227     187.281  -95.1345   265.953  111.477    263.771  16.199  7.2760  19.510  7.9422  -3.310791      10.77124  
1 1 1 2   99  3  o 24.490  7.0962  352.054    199.121  548.823    286.276  167.636    277.146  30.141  8.4361  20.928  8.2686  9.213421       11.81261  
1 1 1 2   99  4  o 37.429  5.6465  802.414    221.784  929.534    336.685  704.971    294.776  39.306  8.1749  34.168  8.0903  5.138008       11.50139  
1 1 1 2   99  5  o 52.460  4.1781  1530.42    235.430  1846.15    371.015  1317.58    304.616  56.844  6.1227  47.985  5.9917  8.859329       8.566669  
1 1 1 2   99  6  o 27.026  6.8343  433.721    200.180  248.581    309.063  567.521    262.740  23.126  8.8439  30.656  7.8722  -7.529730      11.84002  
1 1 1 2   99  7  o 21.226  7.3188  244.618    204.119  2.9618     334.095  388.546    257.836  19.503  8.4800  25.705  8.2063  -6.202585      11.80060  
1 1 1 2   99  8  o 30.804  6.5735  561.481    212.636  1319.76    328.166  12.732     279.168  47.665  6.5281  18.099  7.8105  29.56649       10.17937  
1 1 1 2   99  9  o 32.317  6.7673  620.761    229.282  435.254    335.268  783.746    314.258  27.240  9.3805  35.754  8.2783  -8.513784      12.51099  
1 1 1 2   99  10 o 56.385  4.3936  1779.78    266.204  1704.19    393.916  1843.31    361.154  53.915  6.9043  56.624  5.9792  -2.708652      9.133436  
1 1 1 2   99  11 o 55.097  4.4304  1703.19    262.150  1653.24    397.379  1741.69    348.822  52.878  7.1193  54.971  5.9539  -2.092644      9.280825  
1 1 1 2   99  12 o 15.822  6.8330  4.4460     213.989  -227.5895  353.482  138.673    268.850  17.127  7.9500  19.891  8.0469  -2.764084      11.31173  
1 1 1 2   99  13 o 26.891  7.5599  440.683    229.368  615.984    375.130  336.017    289.864  31.107  9.8950  24.409  8.6977  6.698147       13.17424  
1 1 1 2   100 0  o 70.155  3.4573  2702.43    262.708  2783.60    392.086  2636.30    353.892  70.434  5.1759  68.710  4.7852  1.723991       7.048969  
1 1 1 2   100 1  o 84.436  3.1338  3905.13    286.592  3456.25    417.527  4305.04    394.092  78.643  4.9267  88.290  4.1211  -9.647850      6.423047  
1 1 1 2   100 2  o 35.424  5.2874  715.542    196.656  865.742    292.952  592.338    265.322  38.253  7.3377  31.376  7.8319  6.876129       10.73218  
1 1 1 2   100 3  o 49.873  4.4076  1388.08    235.639  1241.92    351.173  1507.78    317.808  45.997  7.2921  51.458  5.8035  -5.460648      9.319657  
1 1 1 2   100 4  o 32.439  6.4491  616.911    218.606  686.602    330.959  562.973    291.163  33.410  8.9611  30.429  8.5046  2.980696       12.35430  
1 1 1 2   100 5  o 50.183  4.3820  1406.39    235.786  1360.36    342.525  1447.84    325.064  48.391  6.7162  50.233  6.0997  -1.842319      9.072712  
1 1 1 2   100 6  o 41.010  5.1212  954.597    222.518  959.310    356.498  951.589    284.811  39.626  8.5567  40.289  6.7667  -0.6627731     10.90891  
1 1 1 2   100 7  o 42.463  5.0131  1021.64    226.114  1049.95    362.212  1003.56    289.437  41.559  8.3368  41.399  6.6825  0.1598778      10.68448  
1 1 1 2   100 8  o 24.535  7.2962  357.429    208.167  502.722    320.494  251.404    273.779  28.729  9.1469  22.448  8.3812  6.280571       12.40606  
1 1 1 2   100 9  o 38.414  5.8306  853.999    234.972  940.764    343.378  777.593    322.230  39.163  8.3501  35.466  8.4995  3.697536       11.91495  
1 1 1 2   100 10 o 17.177  7.2148  53.768     227.198  8.8641     341.881  89.284     304.049  19.622  8.5545  19.889  8.3497  -0.2668152     11.95392  
1 1 1 2   100 11 o 71.149  2.8638  2775.57    220.686  2361.53    437.646  2916.75    255.555  63.807  6.4198  72.810  3.2406  -9.003189      7.191335  
1 1 1 2   100 12 o 74.266  2.8207  3023.80    226.892  2851.99    451.763  3081.76    262.385  70.430  5.9787  74.830  3.2374  -4.399620      6.798913  
1 1 1 2   101 0  o 89.240  3.1221  4363.83    301.772  4151.29    439.030  4554.18    415.482  86.277  4.7161  90.723  4.2283  -4.446686      6.333996  
1 1 1 2   101 1  o 61.736  3.5727  2102.86    237.873  2003.78    343.487  2194.18    329.739  59.567  5.3821  62.565  4.9053  -2.997955      7.282115  
1 1 1 2   101 2  o 58.431  3.7129  1887.66    233.760  1900.45    348.149  1877.16    315.440  57.877  5.6249  57.752  5.0951  0.1247177      7.589405  
1 1 1 2   101 3  o 72.120  3.3589  2856.69    262.378  2597.39    384.367  3082.95    359.044  67.898  5.2678  74.395  4.4767  -6.497108      6.913090  
1 1 1 2   101 4  o 15.062  6.6122  -31.3726   207.420  118.421    291.142  -185.7682  295.580  20.236  8.3030  15.975  7.3638  4.261495       11.09796  
1 1 1 2   101 5  o 27.126  7.3038  440.911    219.360  506.797    337.479  392.709    288.655  28.968  9.4032  25.996  8.7074  2.971207       12.81554  
1 1 1 2   101 6  o 62.084  3.9851  2139.91    266.552  2059.31    401.859  2203.23    356.184  59.820  6.2969  62.410  5.3200  -2.590481      8.243440  
1 1 1 2   101 7  o 56.665  4.0723  1787.19    248.267  1853.53    390.451  1742.17    321.666  56.577  6.4891  55.368  5.4339  1.209412       8.463763  
1 1 1 2   101 8  o 35.151  1.7386  672.026    66.193   671.442    68.067   682.189    284.022  35.085  1.7972  33.409  7.9619  1.675629       8.162249  
1 1 1 2   101 9  o 34.054  6.5519  686.298    232.884  716.771    341.587  659.833    318.336  33.750  9.1255  32.503  8.8183  1.247044       12.69010  
1 1 1 2   101 10 o 35.594  6.5301  748.272    242.469  770.293    363.742  730.662    325.279  34.844  9.4150  34.206  8.7458  0.6383476      12.85030  
1 1 1 2   101 11 o 15.828  6.8123  9.3297     211.218  147.826    353.468  -67.5903   263.421  21.928  9.0880  16.326  7.2934  5.602808       11.65265  
1 1 1 2   102 0  o 55.387  3.9136  1701.52    233.266  1648.59    347.896  1744.75    314.415  53.628  6.0979  55.558  5.2888  -1.930538      8.071972  
1 1 1 2   102 1  o 70.007  3.4175  2693.67    259.133  2502.00    389.606  2845.72    347.018  66.523  5.4553  71.439  4.5079  -4.916054      7.076855  
1 1 1 2   102 2  o 26.680  7.1665  425.083    211.490  549.350    321.205  329.982    280.995  29.973  9.0973  24.435  8.5779  5.538124       12.50367  
1 1 1 2   102 3  o 17.178  6.9959  83.042     204.770  75.507     311.519  88.774     271.720  19.996  8.4261  19.193  7.9622  0.8035011      11.59297  
1 1 1 2   102 4  o 43.570  4.8093  1071.07    223.174  1031.03    354.641  1097.33    287.165  41.245  8.2271  43.520  6.2734  -2.274967      10.34609  
1 1 1 2   102 5  o 51.032  4.4822  1458.75    245.235  1510.78    370.382  1418.13    327.241  50.835  6.9057  49.563  6.2339  1.271748       9.303240  
1 1 1 2   102 6  o 38.847  5.7733  870.638    235.527  764.710    332.297  977.576    333.879  35.114  8.7647  40.206  7.9488  -5.091331      11.83233  
1 1 1 2   102 7  o 38.658  5.8855  865.514    238.652  335.589    363.062  1268.70    316.682  25.443  9.6197  46.681  6.4345  -21.23808      11.57333  
1 1 1 2   102 8  o 49.344  4.4751  1366.71    236.568  1406.87    359.672  1336.10    314.064  48.888  6.9916  48.038  6.1795  0.8505287      9.331060  
1 1 1 2   102 9  o 46.074  5.0087  1204.09    245.921  1114.06    360.860  1282.16    336.034  42.826  8.0759  46.692  6.8482  -3.866241      10.58856  
1 1 1 2   103 0  o 57.566  4.1120  1843.14    254.695  2113.83    417.620  1682.83    321.383  60.548  6.4682  54.416  5.5297  6.132206       8.509758  
1 1 1 2   103 1  o 17.116  6.8649  95.343     193.842  -184.9215  296.197  305.297    256.365  15.984  7.3692  23.514  8.1968  -7.529857      11.02231  
1 1 1 2   103 2  o 22.645  7.0366  297.812    190.789  177.539    291.907  387.508    252.084  21.313  8.4653  25.610  8.1077  -4.296492      11.72166  
1 1 1 2   103 3  o 44.525  4.7322  1117.11    224.716  880.147    323.146  1339.01    312.705  38.080  8.0848  48.197  6.1288  -10.11714      10.14526  
1 1 1 2   103 4  o 29.173  6.8930  508.573    214.341  327.539    313.217  668.019    293.948  24.702  9.0096  33.011  8.2456  -8.308743      12.21323  
1 1 1 2   103 5  o 88.929  3.2502  4346.04    313.059  4527.96    458.246  4186.84    428.694  89.936  4.7208  86.551  4.5894  3.385101       6.583987  
1 1 1 2   103 6  o 65.151  3.9113  2356.07    274.724  2708.07    415.417  2082.46    366.249  69.007  5.6065  60.434  5.6613  8.573063       7.967636  
1 1 1 2   103 7  o 62.507  4.0455  2173.34    272.420  2225.88    409.886  2131.77    364.598  62.202  6.1652  61.195  5.5616  1.007004       8.303037  
1 1 1 2   103 8  o 22.244  7.4357  280.768    210.493  96.935     328.638  408.643    274.094  20.646  8.6749  26.180  8.4720  -5.533676      12.12552  
1 1 1 2   104 0  o 37.236  6.1213  806.392    238.294  1057.65    360.550  611.515    317.530  41.719  8.2714  31.428  8.9159  10.29132       12.16180  
1 1 1 2   104 1  o 20.785  8.0292  189.750    256.514  461.486    431.917  41.679     318.832  28.604  10.557  19.610  8.4030  8.994045       13.49302  
1 1 1 2   104 2  o 53.917  4.4068  1625.95    255.098  2125.62    465.280  1411.20    305.031  60.162  7.2892  49.637  5.7820  10.52451       9.303985  
1 1 1 2   104 3  o 98.669  3.2648  5349.50    348.902  5408.21    516.307  5300.17    473.332  98.360  4.8464  97.595  4.4778  0.7641678      6.598384  
1 1 1 2   104 4  o 107.633 3.3374  6369.81    389.065  5926.47    567.336  6763.42    534.568  102.795 5.0956  110.247 4.4768  -7.452660      6.782845  
1 1 1 2   104 5  o 78.975  3.4303  3432.66    293.417  3405.83    444.262  3453.42    390.774  77.639  5.3151  78.584  4.6114  -0.9446564     7.036665  
1 1 1 2   104 6  f 57.997  4.2148  1875.99    262.951  1685.28    400.407  2020.61    348.674  53.575  7.0733  59.632  5.4591  -6.057205      8.934928  
1 1 1 2   104 7  o 43.118  5.3662  1061.46    245.184  965.986    373.141  1134.00    325.257  39.427  8.9435  43.792  7.1005  -4.365921      11.41944  
1 1 1 2   105 0  o 40.932  5.8006  964.330    249.964  886.560    400.918  1013.78    319.711  37.428  9.7812  41.257  7.4279  -3.828770      12.28193  
1 1 1 2   105 1  f 24.523  8.0558  348.839    247.421  550.614    387.716  210.219    321.362  30.065  10.091  22.508  8.9004  7.557304       13.45556  
1 1 1 2   105 2  o 37.424  6.5995  822.628    257.727  713.053    394.422  904.274    340.464  33.573  10.057  38.442  8.4109  -4.868988      13.11030  
1 1 1 2   105 3  o 26.256  7.1209  412.714    207.625  109.266    310.591  657.868    279.168  20.480  8.5060  32.872  7.9320  -12.39108      11.63050  
1 1 1 2   105 4  o 42.658  5.0237  1031.97    227.658  1009.99    328.642  1052.25    315.666  41.032  7.6771  42.150  7.1713  -1.118473      10.50548  
1 1 1 3   0   0  o 163.501 4.7119  14515.96   832.866  14515.96   832.866  14515.96   832.866  163.501 4.7119  163.501 4.7119  0.000000       0.000000  
1 1 1 3   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   2  o 245.015 6.3096  32586.55   1671.92  32586.55   1671.92  32586.55   1671.92  245.015 6.3096  245.015 6.3096  0.000000       0.000000  
1 1 1 3   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   7  o 65.848  3.3539  2366.83    237.785  2366.83    237.785  2366.83    237.785  65.848  3.3539  65.848  3.3539  0.000000       0.000000  
1 1 1 3   0   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   9  o 605.903 17.499  199930.30  11461.98 199930.30  11461.98 199930.30  11461.98 605.903 17.499  605.903 17.499  0.000000       0.000000  
1 1 1 3   0   10 o 178.032 5.7271  17222.49   1101.75  17222.49   1101.75  17222.49   1101.75  178.032 5.7271  178.032 5.7271  0.000000       0.000000  
1 1 1 3   0   11 o 20.863  6.0361  287.808    118.343  287.808    118.343  287.808    118.343  20.863  6.0361  20.863  6.0361  0.000000       0.000000  
1 1 1 3   0   12 o 76.724  3.5774  3208.95    295.809  3208.95    295.809  3208.95    295.809  76.724  3.5774  76.724  3.5774  0.000000       0.000000  
1 1 1 3   0   13 o 416.760 14.214  94577.60   6399.24  94577.60   6399.24  94577.60   6399.24  416.760 14.214  416.760 14.214  0.000000       0.000000  
1 1 1 3   0   14 o 171.085 7.1161  15943.07   1313.45  15943.07   1313.45  15943.07   1313.45  171.085 7.1161  171.085 7.1161  0.000000       0.000000  
1 1 1 3   0   15 o 271.760 9.8150  40212.44   2880.44  40212.44   2880.44  40212.44   2880.44  271.760 9.8150  271.760 9.8150  0.000000       0.000000  
1 1 1 3   0   16 o 30.387  1.9570  506.287    63.797   506.287    63.797   506.287    63.797   30.387  1.9570  30.387  1.9570  0.000000       0.000000  
1 1 1 3   0   17 o 259.151 6.6624  36484.95   1867.26  36484.95   1867.26  36484.95   1867.26  259.151 6.6624  259.151 6.6624  0.000000       0.000000  
1 1 1 3   0   18 o 294.743 7.3911  47216.42   2356.15  47216.42   2356.15  47216.42   2356.15  294.743 7.3911  294.743 7.3911  0.000000       0.000000  
1 1 1 3   0   19 o 168.489 4.9568  15427.88   902.805  15427.88   902.805  15427.88   902.805  168.489 4.9568  168.489 4.9568  0.000000       0.000000  
1 1 1 3   0   20 o 545.060 12.911  162312.91  7612.17  162312.91  7612.17  162312.91  7612.17  545.060 12.911  545.060 12.911  0.000000       0.000000  
1 1 1 3   0   21 f 257.836 6.6521  36151.00   1854.90  36151.00   1854.90  36151.00   1854.90  257.836 6.6521  257.836 6.6521  0.000000       0.000000  
1 1 1 3   0   22 o 66.418  3.0205  2405.00    216.264  2405.00    216.264  2405.00    216.264  66.418  3.0205  66.418  3.0205  0.000000       0.000000  
1 1 1 3   0   23 o 99.716  4.2889  5421.47    461.265  5421.47    461.265  5421.47    461.265  99.716  4.2889  99.716  4.2889  0.000000       0.000000  
1 1 1 3   0   24 o 145.148 4.6699  11467.53   732.427  11467.53   732.427  11467.53   732.427  145.148 4.6699  145.148 4.6699  0.000000       0.000000  
1 1 1 3   0   25 o 67.498  4.3814  2504.47    317.214  2504.47    317.214  2504.47    317.214  67.498  4.3814  67.498  4.3814  0.000000       0.000000  
1 1 1 3   0   26 o 34.082  2.1253  636.906    77.756   636.906    77.756   636.906    77.756   34.082  2.1253  34.082  2.1253  0.000000       0.000000  
1 1 1 3   0   27 o 131.902 4.4307  9501.57    631.367  9501.57    631.367  9501.57    631.367  131.902 4.4307  131.902 4.4307  0.000000       0.000000  
1 1 1 3   0   28 o 20.636  10.294  350.835    279.902  350.835    279.902  350.835    279.902  20.636  10.294  20.636  10.294  0.000000       0.000000  
1 1 1 3   0   29 o 105.814 4.5603  6148.88    520.437  6148.88    520.437  6148.88    520.437  105.814 4.5603  105.814 4.5603  0.000000       0.000000  
1 1 1 3   0   30 o 116.405 4.6238  7453.47    580.867  7453.47    580.867  7453.47    580.867  116.405 4.6238  116.405 4.6238  0.000000       0.000000  
1 1 1 3   0   31 o 101.208 4.6424  5658.76    506.459  5658.76    506.459  5658.76    506.459  101.208 4.6424  101.208 4.6424  0.000000       0.000000  
1 1 1 3   0   32 o 42.153  2.4129  975.997    109.336  975.997    109.336  975.997    109.336  42.153  2.4129  42.153  2.4129  0.000000       0.000000  
1 1 1 3   0   33 o 5.9553  3.8739  -3.6765    60.181   -3.6765    60.181   -3.6765    60.181   5.9553  3.8739  5.9553  3.8739  0.000000       0.000000  
1 1 1 3   0   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   35 o 4.8338  3.2630  -21.5120   49.718   -21.5120   49.718   -21.5120   49.718   4.8338  3.2630  4.8338  3.2630  0.000000       0.000000  
1 1 1 3   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   0   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   5  o 37.889  2.2235  780.222    90.846   858.024    127.927  701.072    129.031  39.687  2.9982  35.817  3.3656  3.869839       4.507375  
1 1 1 3   1   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   8  o 420.308 10.068  95955.24   4583.44  0.0000     0.0000   95955.24   4583.44  ?       ?       420.308 10.068  0.000000       10.06824  
1 1 1 3   1   9  o 149.664 3.4520  12133.33   559.569  12047.68   791.397  12218.97   791.303  149.116 4.9000  150.173 4.8650  -1.056870      6.904940  
1 1 1 3   1   10 o 607.278 10.048  200041.59  6609.29  198227.09  9346.89  201856.09  9347.00  604.016 14.287  609.538 14.158  -5.521912      20.11401  
1 1 1 3   1   11 o 236.616 6.1359  30338.30   1572.50  31874.57   2224.16  28802.88   2223.55  242.467 8.4692  230.473 8.9075  11.99304       12.29110  
1 1 1 3   1   12 o 386.130 6.5753  80804.92   2749.93  81298.32   3888.98  80311.53   3888.98  387.162 9.2741  384.802 9.3310  2.360413       13.15589  
1 1 1 3   1   13 o 703.467 12.631  268846.81  9624.08  273311.59  14968.39 265700.31  12565.71 707.729 19.527  698.533 16.608  9.196167       25.63492  
1 1 1 3   1   14 o 867.529 20.266  411625.41  19042.43 411936.41  26929.92 411314.41  26930.19 863.542 28.793  862.876 28.815  0.6655273      40.73485  
1 1 1 3   1   15 o 209.639 5.4632  23823.03   1240.48  23450.44   2419.84  23955.84   1444.75  207.430 10.808  210.188 6.3462  -2.758865      12.53358  
1 1 1 3   1   16 o 530.824 8.8527  153085.09  5089.73  157780.50  7198.13  148390.09  7197.79  538.089 12.351  521.728 12.738  16.36096       17.74223  
1 1 1 3   1   17 o 338.427 5.8578  62137.96   2147.20  63761.13   3036.70  60515.00   3036.50  342.523 8.1854  333.659 8.4024  8.864594       11.73034  
1 1 1 3   1   18 o 190.692 3.9468  19712.22   815.161  18852.16   1224.31  20397.11   1092.53  186.361 6.0655  193.906 5.2020  -7.545517      7.990720  
1 1 1 3   1   19 o 252.445 4.6020  34567.32   1258.31  34248.61   1779.34  34886.16   1779.70  251.074 6.5431  253.407 6.4842  -2.333481      9.211829  
1 1 1 3   1   20 o 166.683 3.4846  15061.77   629.087  14685.15   889.326  15438.96   890.002  164.495 4.9916  168.673 4.8716  -4.177643      6.974861  
1 1 1 3   1   21 o 96.719  2.8096  5069.83    294.327  4768.59    398.106  5432.99    437.103  93.767  3.9199  100.082 4.0323  -6.314919      5.623668  
1 1 1 3   1   22 o 321.787 6.0352  56311.16   2103.43  56601.71   2767.34  55913.64   3236.96  322.128 7.9317  319.717 9.3476  2.410522       12.25927  
1 1 1 3   1   23 o 189.625 3.9823  19515.89   817.888  20248.68   1226.77  18929.55   1097.35  192.902 5.8716  186.578 5.4302  6.324707       7.997680  
1 1 1 3   1   24 o 50.587  2.1241  1387.00    116.380  1171.97    273.085  1434.72    128.647  46.055  5.5890  51.446  2.3088  -5.390537      6.047127  
1 1 1 3   1   25 o 163.625 3.5751  14547.99   633.585  14181.20   857.901  14988.09   939.728  161.308 4.9103  165.762 5.2341  -4.454086      7.176881  
1 1 1 3   1   26 o 180.845 3.8626  17811.81   756.591  17269.37   1130.07  18252.48   1018.56  177.412 5.8810  182.669 5.1481  -5.256958      7.815982  
1 1 1 3   1   27 o 52.788  2.3048  1513.25    131.775  1880.30    268.181  1396.42    151.300  58.499  4.2620  50.604  2.7710  7.894592       5.083574  
1 1 1 3   1   28 o 37.150  2.1175  752.023    84.850   752.996    88.469   740.848    299.733  37.164  2.2077  35.601  7.9716  1.563187       8.271651  
1 1 1 3   1   29 o 74.834  3.4200  3062.00    277.198  2733.65    391.091  3393.49    392.951  70.095  5.1882  78.332  4.6524  -8.237808      6.968710  
1 1 1 3   1   30 o 71.644  2.7764  2801.90    215.438  2805.33    259.214  2794.24    387.415  71.559  3.3444  70.718  5.0921  0.8415833      6.092148  
1 1 1 3   1   31 o 27.380  2.0204  410.318    59.493   406.591    60.673   503.345    303.107  27.247  2.0714  28.809  8.8556  -1.561285      9.094621  
1 1 1 3   1   32 o 32.636  1.4026  578.579    49.580   591.269    50.138   17.825     333.294  32.992  1.4031  19.486  8.4712  13.50606       8.586654  
1 1 1 3   1   33 o 28.656  9.9413  538.872    376.885  1006.79    676.241  328.047    453.917  35.962  13.220  25.491  10.403  10.47124       16.82193  
1 1 1 3   1   34 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   35 o 30.038  10.062  715.913    385.479  840.708    463.711  436.783    693.509  31.370  11.019  25.686  11.623  5.683460       16.01627  
1 1 1 3   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   1   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   5  o 82.300  2.3303  3668.60    207.722  3583.13    283.272  3768.02    305.513  81.331  3.2157  83.402  3.3821  -2.070877      4.666843  
1 1 1 3   2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   7  o 252.568 4.5583  34571.34   1246.96  33131.05   1763.35  36011.98   1763.57  247.151 6.5873  257.689 6.3187  -10.53751      9.127883  
1 1 1 3   2   8  o 238.420 4.3594  30801.14   1125.76  31685.14   1592.13  29917.29   1591.99  241.754 6.0804  234.906 6.2572  6.848480       8.724879  
1 1 1 3   2   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   10 o 236.200 4.3204  30222.51   1105.28  29871.30   1563.02  30573.79   1563.17  234.788 6.1464  237.534 6.0759  -2.746368      8.642594  
1 1 1 3   2   11 o 658.660 10.859  235389.20  7746.48  227108.91  10954.97 243670.09  10955.38 646.313 15.649  669.553 15.107  -23.24011      21.75131  
1 1 1 3   2   12 o 176.563 3.8324  16887.04   732.898  16841.30   1036.58  16932.77   1036.37  176.301 5.4285  176.780 5.4127  -0.4784088     7.665850  
1 1 1 3   2   13 o 446.288 8.0826  108002.90  3906.94  107264.90  6052.36  108530.10  5115.54  444.350 12.576  447.170 10.562  -2.819977      16.42265  
1 1 1 3   2   14 o 519.321 17.430  147130.50  9803.96  147130.50  9803.96  0.0000     0.0000   519.321 17.430  ?       ?       0.000000       17.42990  
1 1 1 3   2   15 o 354.648 7.0186  68220.65   2696.01  60824.92   4667.98  71922.42   3302.50  334.254 12.894  364.023 8.3762  -29.76874      15.37567  
1 1 1 3   2   16 o 623.582 10.339  211509.59  6983.34  212465.41  9875.85  210553.80  9876.02  623.628 14.621  620.792 14.688  2.836731       20.72475  
1 1 1 3   2   17 o 234.311 4.6373  29766.06   1176.88  29085.85   1560.67  30662.74   1791.89  231.513 6.2239  237.645 6.9616  -6.131760      9.338200  
1 1 1 3   2   18 o 189.588 3.8858  19483.94   797.933  19554.09   1069.47  19395.85   1198.39  189.857 5.2009  189.044 5.8528  0.8128967      7.829715  
1 1 1 3   2   19 o 179.320 3.7735  17432.67   732.896  16015.54   1094.66  18583.98   986.673  171.745 5.8847  185.077 4.9221  -13.33214      7.671823  
1 1 1 3   2   20 o 413.968 7.5500  93261.69   3385.22  97680.09   5237.84  90092.20   4436.24  422.320 11.451  406.094 10.086  16.22540       15.25944  
1 1 1 3   2   21 o 118.302 3.0297  7585.96    388.201  7755.43    548.222  7415.53    549.779  119.565 4.2333  116.910 4.3418  2.654762       6.063982  
1 1 1 3   2   22 o 179.670 3.8036  17511.23   740.196  17641.00   1105.14  17405.67   996.808  180.152 5.6638  179.005 5.1413  1.147629       7.649324  
1 1 1 3   2   23 o 139.568 3.2328  10564.39   488.685  10625.99   689.348  10502.16   692.874  139.874 4.5502  139.052 4.6005  0.8218231      6.470629  
1 1 1 3   2   24 o 129.019 3.1435  9031.04    439.272  8721.43    617.843  9347.52    624.661  126.666 4.5035  131.145 4.3977  -4.479103      6.294486  
1 1 1 3   2   25 o 156.801 3.4929  13358.04   593.206  12786.61   805.884  14033.82   876.381  153.181 4.8573  160.439 5.0433  -7.257919      7.002037  
1 1 1 3   2   26 o 33.381  1.5007  603.981    54.260   607.561    55.847   543.667    229.245  33.479  1.5401  30.801  7.0271  2.678572       7.193857  
1 1 1 3   2   27 o 119.220 3.0197  7733.73    389.932  8524.67    552.023  6946.08    550.874  124.926 4.0798  112.659 4.5146  12.26669       6.084888  
1 1 1 3   2   28 o 34.471  5.1635  668.354    186.850  456.973    242.214  979.022    293.640  28.056  7.7257  41.409  6.7819  -13.35376      10.28011  
1 1 1 3   2   29 f 106.510 3.2029  6195.62    369.496  6076.01    522.010  6315.73    523.083  105.013 4.5895  107.097 4.5095  -2.083168      6.434171  
1 1 1 3   2   30 o 24.228  1.1215  318.304    29.429   323.249    29.593   -122.3811  279.383  24.416  1.1191  16.325  7.3833  8.090315       7.467635  
1 1 1 3   2   31 o ?       ?       -230.3782  30.053   -230.9434  30.191   -168.9600  314.733  ?       ?       16.758  7.6778  0.000000       7.677797  
1 1 1 3   2   32 o 36.862  7.4100  821.399    285.584  580.742    491.376  944.155    350.942  30.759  11.275  38.976  8.5484  -8.216503      14.14903  
1 1 1 3   2   33 o 23.180  8.7999  295.200    304.593  871.097    481.578  -88.8006   393.242  34.875  11.224  19.167  8.7048  15.70763       14.20385  
1 1 1 3   2   34 o 31.341  7.8361  656.270    265.291  548.027    366.400  775.545    384.619  27.526  9.7819  32.215  9.9876  -4.689182      13.97990  
1 1 1 3   2   35 o 27.253  9.8990  575.182    377.546  799.033    454.628  77.749     677.709  30.729  10.899  22.922  10.760  7.806589       15.31511  
1 1 1 3   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   2   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   4  o 328.833 6.5301  58609.63   2325.75  60330.66   2848.48  55167.79   4028.22  333.559 7.8844  318.726 11.669  14.83261       14.08277  
1 1 1 3   3   5  o 331.874 5.7289  59696.31   2059.26  60012.14   2912.25  59380.48   2912.23  332.613 8.0839  330.855 8.1268  1.757996       11.46267  
1 1 1 3   3   6  o 474.616 13.393  122726.50  6884.65  0.0000     0.0000   122726.50  6884.65  ?       ?       474.616 13.393  0.000000       13.39272  
1 1 1 3   3   7  o 232.527 4.2630  29299.80   1073.64  27667.36   1518.20  30932.88   1518.51  225.875 6.2057  238.850 5.8698  -12.97520      8.541971  
1 1 1 3   3   8  o 440.064 8.5450  105094.70  4072.83  103696.70  4988.18  107890.70  7054.35  436.889 10.541  444.980 14.637  -8.091278      18.03770  
1 1 1 3   3   9  o 256.173 5.3358  35559.25   1480.48  35995.57   1813.15  34686.43   2564.46  257.704 6.4959  252.860 9.3637  4.844513       11.39629  
1 1 1 3   3   10 o 348.612 5.9547  65852.07   2248.40  72239.41   3180.09  59467.68   3179.35  365.042 8.0431  331.168 8.8638  33.87415       11.96909  
1 1 1 3   3   11 o 567.903 10.806  174986.59  6646.58  165566.09  8139.99  193832.80  11513.30 552.100 13.612  596.740 17.813  -44.64038      22.41900  
1 1 1 3   3   12 o 345.889 5.9352  64831.27   2223.52  64135.22   3144.39  65527.45   3144.68  343.919 8.4413  347.636 8.3518  -3.717407      11.87472  
1 1 1 3   3   13 o 218.403 4.7102  25843.46   1114.22  27454.58   1576.19  24234.17   1575.29  225.064 6.4659  211.441 6.8786  13.62317       9.440551  
1 1 1 3   3   14 o 281.699 10.051  43080.43   3066.74  43080.43   3066.74  0.0000     0.0000   281.699 10.051  ?       ?       0.000000       10.05126  
1 1 1 3   3   15 o 171.439 4.0534  15925.39   752.659  14917.59   1300.94  16432.44   922.776  165.831 7.2430  174.126 4.8928  -8.295532      8.740801  
1 1 1 3   3   16 o 162.477 3.4103  14303.12   600.133  13497.55   847.578  15113.04   849.860  157.793 4.9593  166.977 4.6991  -9.184708      6.832048  
1 1 1 3   3   17 o 235.085 4.9254  29967.55   1254.12  28418.29   1773.13  31518.45   1774.06  228.764 7.1562  240.951 6.7978  -12.18701      9.870218  
1 1 1 3   3   18 o 156.955 3.3971  13350.91   577.497  12127.08   850.276  14398.88   786.820  149.512 5.2506  162.956 4.4579  -13.44334      6.887853  
1 1 1 3   3   19 o 33.259  4.4501  610.579    156.284  531.783    219.001  692.348    223.094  30.687  6.7707  35.210  6.0690  -4.523556      9.092568  
1 1 1 3   3   20 o 201.268 4.0622  21968.79   885.539  21477.42   1183.07  22594.85   1335.41  198.887 5.4920  203.939 6.0457  -5.052170      8.167764  
1 1 1 3   3   21 o 123.458 3.0694  8261.79    410.439  7918.83    584.147  8596.21    576.818  120.806 4.4644  125.880 4.2307  -5.073364      6.150593  
1 1 1 3   3   22 o 38.107  2.2993  789.776    94.457   740.708    101.043  1129.80    265.987  36.882  2.5450  45.261  5.5416  -8.378914      6.098097  
1 1 1 3   3   23 o 235.426 4.3622  30095.87   1112.33  29667.42   1571.51  30526.04   1574.65  233.425 6.2158  236.794 6.1397  -3.369278      8.736807  
1 1 1 3   3   24 o 225.052 4.7994  27545.89   1169.87  26137.95   1651.90  28962.57   1657.02  218.708 6.9735  230.318 6.6425  -11.60980      9.630748  
1 1 1 3   3   25 o 67.224  3.0979  2453.55    225.562  2384.87    312.521  2528.23    325.885  66.048  4.3938  68.004  4.4490  -1.956528      6.252868  
1 1 1 3   3   26 o 109.902 2.8961  6562.05    344.738  5807.14    475.753  7396.65    500.234  103.196 4.2565  116.519 3.9637  -13.32320      5.816248  
1 1 1 3   3   27 o 42.941  3.7134  1013.09    171.010  1296.57    238.444  712.841    245.395  48.454  4.5986  35.332  6.6567  13.12184       8.090618  
1 1 1 3   3   28 o 54.720  3.6634  1642.94    215.867  1323.76    286.262  2063.71    328.677  48.661  5.5296  61.034  5.0164  -12.37257      7.465947  
1 1 1 3   3   29 o 61.758  3.7286  2096.55    248.238  2221.37    349.708  1969.78    352.430  63.159  5.1571  59.320  5.5498  3.838772       7.576057  
1 1 1 3   3   30 o 65.590  2.4737  2344.63    175.733  2381.35    201.440  2227.69    359.502  66.040  2.8162  63.012  5.3172  3.027592       6.016934  
1 1 1 3   3   31 o 34.486  6.5262  698.561    234.841  888.261    322.313  483.892    342.870  38.337  8.0201  28.480  9.4894  9.856556       12.42456  
1 1 1 3   3   32 o 41.766  7.5094  1051.28    327.215  1193.77    503.337  946.977    430.628  42.393  10.901  38.094  10.224  4.299458       14.94503  
1 1 1 3   3   33 o 26.017  9.0038  424.517    309.065  -188.1124  484.854  843.820    401.122  20.153  9.3392  35.096  10.043  -14.94264      13.71465  
1 1 1 3   3   34 o 24.087  8.1404  384.538    252.309  406.296    338.876  357.474    377.951  24.686  9.3033  23.999  9.5998  0.6870289      13.36815  
1 1 1 3   3   35 o 17.817  8.1638  -37.6465   355.901  58.852     423.431  -269.9007  656.907  19.977  9.0573  20.589  9.9195  -0.6117420     13.43244  
1 1 1 3   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   3   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   4  o 121.079 2.8113  7940.47    368.676  7951.84    521.411  7929.10    521.361  121.155 3.9735  120.982 3.9788  0.1733932      5.623065  
1 1 1 3   4   5  o 211.176 3.9643  24160.39   906.743  25889.93   1282.46  22431.54   1282.20  218.565 5.4174  203.432 5.8192  15.13297       7.950595  
1 1 1 3   4   6  o 399.514 6.7673  86571.93   2928.30  85709.86   4141.22  87434.02   4141.27  397.205 9.6260  401.192 9.5304  -3.987640      13.54575  
1 1 1 3   4   7  o 250.376 5.7954  33988.99   1571.60  33354.52   2482.24  34413.50   2030.40  247.802 9.2485  251.838 7.4437  -4.036224      11.87195  
1 1 1 3   4   8  o 490.203 10.396  130529.30  5519.66  132589.70  7202.75  127597.80  8591.54  493.549 13.474  483.577 16.403  9.971161       21.22789  
1 1 1 3   4   9  o 263.679 4.7253  37668.72   1349.49  37341.93   1908.38  37995.59   1908.57  262.474 6.7129  264.763 6.6555  -2.289276      9.452937  
1 1 1 3   4   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   11 o 523.227 9.0614  148455.41  5135.17  149207.50  7968.37  147921.20  6715.69  524.065 14.038  522.036 11.877  2.028320       18.38873  
1 1 1 3   4   12 o 560.110 9.2594  170155.00  5617.30  159520.70  7943.62  180791.80  7944.52  541.860 13.535  576.966 12.713  -35.10626      18.56929  
1 1 1 3   4   13 o 585.251 10.552  185906.30  6688.53  189767.70  10390.43 183174.09  8740.19  590.395 16.249  580.458 13.902  9.937256       21.38434  
1 1 1 3   4   14 o 642.186 15.034  224577.91  10457.18 224577.91  10457.18 0.0000     0.0000   642.186 15.034  ?       ?       0.000000       15.03430  
1 1 1 3   4   15 o 586.375 12.489  187137.91  7932.08  187411.70  12327.44 186944.41  10362.11 584.724 19.465  585.030 16.353  -0.3065186     25.42253  
1 1 1 3   4   16 o 457.764 8.4221  113815.20  4175.74  118221.70  6470.86  110670.80  5466.23  465.639 12.830  450.889 11.193  14.74991       17.02660  
1 1 1 3   4   17 o 350.582 6.0410  66690.96   2293.87  66338.59   3243.60  67043.52   3244.44  349.310 8.5733  351.168 8.5301  -1.857910      12.09395  
1 1 1 3   4   18 o 236.206 4.6063  30255.97   1178.45  29122.60   1792.56  31118.64   1563.91  231.520 7.1485  239.435 6.0305  -7.914764      9.352445  
1 1 1 3   4   19 o 273.566 5.2559  40613.74   1557.34  38906.08   2055.45  42915.16   2386.19  267.524 7.0937  280.851 7.8444  -13.32690      10.57615  
1 1 1 3   4   20 o 101.319 2.9264  5563.45    321.140  5670.62    453.104  5455.28    455.225  102.254 4.0912  100.290 4.1908  1.963951       5.856653  
1 1 1 3   4   21 o 189.122 3.9726  19399.61   813.753  19096.57   1219.47  19642.88   1092.60  187.454 6.0063  190.190 5.3040  -2.735840      8.012965  
1 1 1 3   4   22 o 205.009 3.9709  22802.22   881.731  22502.82   1244.99  23103.52   1248.93  203.469 5.6494  206.174 5.5928  -2.705399      7.949541  
1 1 1 3   4   23 o 213.132 4.2715  24663.29   986.038  24858.04   1313.56  24411.89   1492.44  213.762 5.6735  211.684 6.5094  2.078003       8.634816  
1 1 1 3   4   24 o 101.589 2.7602  5596.97    303.708  5118.30    425.741  6092.96    433.376  97.069  4.0494  105.929 3.7773  -8.860733      5.537669  
1 1 1 3   4   25 o 118.022 3.0246  7561.88    386.639  6729.10    542.461  8421.80    551.226  111.169 4.5052  124.426 4.0902  -13.25774      6.084975  
1 1 1 3   4   26 o 42.472  3.8389  990.320    174.687  822.093    238.502  1185.01    256.577  38.269  5.9471  46.253  5.2124  -7.984024      7.908046  
1 1 1 3   4   27 o 25.914  5.5409  383.156    150.810  286.386    204.428  498.707    223.386  22.872  7.3077  29.391  7.0974  -6.519464      10.18705  
1 1 1 3   4   28 o 68.883  3.3166  2588.23    247.441  2260.71    336.558  2973.53    365.046  63.929  4.8979  73.448  4.6122  -9.519501      6.727655  
1 1 1 3   4   29 o 41.378  4.9318  958.360    216.673  987.346    304.231  928.523    308.661  41.350  7.0456  39.949  7.4063  1.400894       10.22224  
1 1 1 3   4   30 o 43.853  1.5628  1044.11    74.227   1080.31    76.090   331.906    337.526  44.606  1.5749  25.454  9.3422  19.15184       9.474061  
1 1 1 3   4   31 o 49.556  6.3639  1418.86    333.685  1149.77    505.862  1626.14    443.976  42.111  10.978  52.142  8.1263  -10.03088      13.65864  
1 1 1 3   4   32 o 67.252  5.3416  2572.88    385.879  2518.05    578.483  2616.84    517.951  64.253  8.5227  66.475  7.3149  -2.221436      11.23136  
1 1 1 3   4   33 f 21.623  7.7530  266.149    230.658  377.439    317.206  141.278    336.004  25.006  9.0750  20.900  8.7761  4.105141       12.62439  
1 1 1 3   4   34 o 36.236  6.5997  825.130    249.477  900.392    343.650  741.269    362.750  35.915  8.8836  31.760  9.6740  4.154408       13.13412  
1 1 1 3   4   35 o 24.583  2.8762  341.602    75.134   616.953    450.640  333.729    76.201   27.587  10.646  24.265  2.9609  3.322739       11.05042  
1 1 1 3   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   4   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   0  o 166.827 3.3171  15075.01   599.378  14607.34   847.593  15542.81   847.705  164.203 4.7658  169.381 4.6207  -5.178238      6.638079  
1 1 1 3   5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   5  o 235.931 4.3004  30159.45   1098.91  30204.41   1554.11  30114.48   1554.08  236.049 6.0787  235.697 6.0877  0.3519897      8.602920  
1 1 1 3   5   6  o 141.773 3.1750  10888.73   487.531  10642.74   663.901  11176.66   718.247  140.141 4.3739  143.608 4.6177  -3.466873      6.360363  
1 1 1 3   5   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   8  o 464.443 9.8649  117127.60  4962.45  117863.50  6472.76  116078.30  7729.13  465.471 12.839  461.466 15.464  4.005035       20.09901  
1 1 1 3   5   9  o 243.016 4.9270  31997.43   1296.85  32480.74   1834.08  31514.16   1833.98  244.789 6.9176  241.116 7.0226  3.673233       9.857490  
1 1 1 3   5   10 o 654.216 11.685  232283.91  8279.90  227138.80  10813.57 239575.30  12872.92 646.410 15.445  663.440 17.915  -17.03040      23.65335  
1 1 1 3   5   11 o 181.692 3.8276  17881.86   753.228  18411.38   1009.06  17215.53   1131.95  184.346 5.0538  178.246 5.8632  6.100052       7.740668  
1 1 1 3   5   12 o 356.332 6.5471  68814.60   2526.84  71330.19   3317.41  65338.25   3899.79  362.696 8.4447  347.016 10.376  15.67947       13.37800  
1 1 1 3   5   13 o 701.539 14.633  267680.41  11118.67 238725.41  17258.55 288225.00  14537.58 660.070 24.140  727.038 18.461  -66.96790      30.39050  
1 1 1 3   5   14 o 171.337 5.4753  15909.86   1016.08  15909.86   1016.08  0.0000     0.0000   171.337 5.4753  ?       ?       0.000000       5.475264  
1 1 1 3   5   15 o 547.174 11.826  162875.00  7008.85  139305.00  10897.03 179505.59  9153.42  503.940 19.965  573.718 14.730  -69.77835      24.81064  
1 1 1 3   5   16 o 434.178 7.2929  102315.70  3429.57  98530.26   4849.46  106103.40  4850.84  425.560 10.521  441.684 10.140  -16.12418      14.61207  
1 1 1 3   5   17 o 327.269 6.0540  58117.25   2145.94  56279.14   2821.22  60640.80   3305.66  321.802 8.0943  333.878 9.1411  -12.07571      12.20973  
1 1 1 3   5   18 o 331.082 6.7356  59534.52   2415.35  56541.80   3414.87  62530.61   3416.78  322.135 9.7874  338.864 9.3094  -16.72906      13.50770  
1 1 1 3   5   19 o 294.200 5.6241  46985.84   1792.13  46084.20   2751.01  47650.58   2362.12  290.873 8.7321  296.020 7.3673  -5.147552      11.42485  
1 1 1 3   5   20 o 222.140 4.4105  26768.49   1061.16  24672.06   1607.42  28387.93   1412.77  212.996 6.9677  228.631 5.7051  -15.63521      9.005403  
1 1 1 3   5   21 o 51.827  2.0758  1455.26    116.526  1076.55    252.996  1557.23    131.280  44.197  5.3972  53.610  2.2609  -9.413128      5.851595  
1 1 1 3   5   22 o 170.607 3.7013  15787.86   683.942  15211.03   921.930  16493.88   1019.96  167.343 5.0865  174.223 5.4052  -6.879990      7.422163  
1 1 1 3   5   23 o 75.539  3.0543  3094.25    249.896  2854.93    346.070  3355.00    361.230  72.371  4.4364  78.493  4.2650  -6.122017      6.153987  
1 1 1 3   5   24 o 22.173  6.3257  274.698    159.372  102.998    215.077  483.775    237.335  18.444  7.2852  29.185  7.4752  -10.74026      10.43802  
1 1 1 3   5   25 o 71.130  3.0546  2746.86    235.328  2911.90    326.551  2568.53    339.431  73.043  4.1447  68.522  4.6002  4.520996       6.191995  
1 1 1 3   5   26 o 170.431 3.5379  15806.57   653.075  15597.16   921.369  16018.01   925.821  168.881 5.0371  171.158 4.9941  -2.277420      7.093232  
1 1 1 3   5   27 o 42.344  4.0061  987.706    181.548  1163.26    266.332  835.325    248.129  45.674  5.4939  38.440  6.1682  7.234051       8.260163  
1 1 1 3   5   28 f 80.875  2.7650  3560.08    242.200  3485.76    387.718  3607.64    310.163  79.570  4.5174  81.286  3.5229  -1.715858      5.728687  
1 1 1 3   5   29 o 35.465  5.6810  715.315    210.853  555.234    294.612  883.417    301.903  30.621  8.5536  38.934  7.4304  -8.312263      11.33027  
1 1 1 3   5   30 o 36.460  6.0609  765.024    230.940  722.639    316.980  812.976    337.150  34.596  8.5165  36.678  8.6308  -2.081772      12.12526  
1 1 1 3   5   31 o 60.187  5.5781  2056.64    359.499  1496.09    539.208  2505.20    482.348  48.441  10.574  65.722  6.8780  -17.28069      12.61409  
1 1 1 3   5   32 o 44.550  5.6841  1144.58    268.017  1190.24    340.114  1069.79    435.341  44.613  7.2905  40.674  9.9612  3.939236       12.34410  
1 1 1 3   5   33 o 20.460  2.2025  231.685    48.040   191.015    313.256  232.665    48.615   21.293  8.6601  20.499  2.2253  0.7933693      8.941443  
1 1 1 3   5   34 o 30.422  1.1376  503.286    37.483   398.223    48.563   658.127    58.955   26.946  1.6722  34.724  1.5675  -7.778055      2.292022  
1 1 1 3   5   35 o 18.212  7.8639  102.798    283.341  237.404    429.175  -1.2008    377.240  22.069  9.6036  18.603  8.4783  3.466448       12.81062  
1 1 1 3   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   5   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   4  o 197.830 3.7834  21201.19   810.672  21207.27   1146.53  21195.12   1146.40  197.827 5.3509  197.770 5.3519  0.5668640E-01  7.568005  
1 1 1 3   6   5  o 180.712 4.0630  17693.46   795.254  17977.65   974.184  17125.77   1376.85  182.138 4.9382  177.705 7.1535  4.433075       8.692422  
1 1 1 3   6   6  o 60.082  2.2984  1955.27    149.567  1865.23    211.943  2044.59    211.099  58.580  3.3543  61.351  3.1878  -2.770672      4.627501  
1 1 1 3   6   7  o 173.792 3.6209  16364.22   681.580  15999.73   1021.30  16656.92   915.203  171.795 5.4888  175.308 4.8200  -3.513626      7.304696  
1 1 1 3   6   8  o 449.218 7.5597  109449.10  3678.19  108213.80  5201.67  110684.40  5201.83  446.330 10.760  451.412 10.639  -5.081818      15.13190  
1 1 1 3   6   9  o 830.733 27.583  379099.91  24818.35 379099.91  24818.35 0.0000     0.0000   830.733 27.583  ?       ?       0.000000       27.58298  
1 1 1 3   6   10 o 493.870 8.2245  132229.30  4399.39  127967.50  6221.43  136491.70  6221.94  485.569 11.830  501.515 11.454  -15.94604      16.46636  
1 1 1 3   6   11 o 308.087 5.3654  51427.00   1790.39  48645.62   2531.55  54210.33   2532.43  299.562 7.8024  316.248 7.3933  -16.68604      10.74889  
1 1 1 3   6   12 o 434.541 7.3265  102356.80  3448.26  103998.10  4876.49  100715.40  4876.67  437.809 10.284  430.830 10.451  6.978394       14.66200  
1 1 1 3   6   13 o 496.825 9.5691  133922.59  5149.26  126285.70  8917.10  137743.09  6307.13  481.472 17.099  503.647 11.562  -22.17459      20.64154  
1 1 1 3   6   14 o 102.339 3.9348  5673.99    436.143  5917.86    590.182  5380.57    647.375  104.499 5.2144  99.449  6.0388  5.050926       7.978488  
1 1 1 3   6   15 o 341.651 7.6344  63333.32   2825.08  65881.76   6579.09  62757.19   3128.16  346.608 17.583  340.017 8.4941  6.591888       19.52677  
1 1 1 3   6   16 o 390.336 7.0830  82687.09   2994.50  82908.76   3926.88  82379.06   4628.93  390.562 9.2830  389.030 10.986  1.532410       14.38260  
1 1 1 3   6   17 o 165.592 3.4815  14859.41   624.416  15267.33   879.450  14444.72   886.712  167.798 4.8390  163.207 5.0162  4.590805       6.969791  
1 1 1 3   6   18 o 400.202 7.3778  87039.41   3197.98  87464.05   4192.04  86448.24   4946.20  400.679 9.6596  397.857 11.478  2.821838       15.00192  
1 1 1 3   6   19 o 124.992 3.0266  8466.56    409.734  8386.77    569.572  8552.12    589.862  124.360 4.2286  125.576 4.3368  -1.215530      6.057171  
1 1 1 3   6   20 o 143.718 3.1932  11195.54   497.061  10578.18   699.520  11825.15   706.431  139.631 4.6254  147.644 4.4176  -8.012787      6.396025  
1 1 1 3   6   21 o 101.146 2.9069  5544.97    318.453  5000.86    444.836  6116.97    456.096  96.009  4.2778  106.197 3.9653  -10.18811      5.832884  
1 1 1 3   6   22 o 110.042 2.9955  6564.62    357.026  6594.18    499.876  6533.83    510.100  110.234 4.1867  109.723 4.2923  0.5112762      5.996041  
1 1 1 3   6   23 o 161.124 3.5249  14084.18   615.151  13303.58   902.982  14760.18   840.305  156.417 5.3300  164.831 4.7068  -8.413971      7.110738  
1 1 1 3   6   24 o 37.295  4.3892  766.320    173.904  673.816    235.694  876.856    257.645  34.578  6.5328  39.629  6.2062  -5.051891      9.010783  
1 1 1 3   6   25 f 159.307 3.4048  13787.15   587.479  13546.27   827.734  14031.66   833.941  157.655 4.8475  160.464 4.7983  -2.809952      6.820659  
1 1 1 3   6   26 o 104.352 2.9682  5917.45    335.475  5563.46    471.292  6281.04    477.638  100.992 4.3086  107.342 4.1083  -6.350540      5.953295  
1 1 1 3   6   27 o 52.581  3.5391  1513.82    200.382  1727.80    296.599  1334.13    271.788  55.914  4.9487  49.023  5.1980  6.890991       7.176954  
1 1 1 3   6   28 o 68.187  3.3755  2536.97    249.294  2134.57    340.995  2998.98    365.377  62.044  5.1200  73.764  4.5961  -11.71934      6.880332  
1 1 1 3   6   29 o 91.299  2.9814  4547.50    294.821  4266.27    374.371  5006.68    478.373  88.195  3.9191  95.303  4.6344  -7.107841      6.069317  
1 1 1 3   6   30 o 60.934  5.4352  2087.92    354.950  2057.09    531.121  2112.79    477.155  58.930  8.5725  60.347  7.4589  -1.417183      11.36323  
1 1 1 3   6   31 o 45.725  6.7834  1221.36    325.758  1425.43    496.292  1066.88    431.794  47.654  9.9372  41.144  9.8250  6.510406       13.97423  
1 1 1 3   6   32 o 32.524  1.5943  575.176    56.162   300.680    312.648  584.329    57.091   23.926  8.9518  32.781  1.6080  -8.854803      9.095092  
1 1 1 3   6   33 o 51.705  2.7941  1476.93    155.893  1402.28    169.829  1876.62    392.951  50.248  3.1361  55.937  6.6139  -5.688866      7.319755  
1 1 1 3   6   34 o 29.840  1.8983  489.693    61.036   766.105    331.105  479.970    62.100   32.880  9.0239  29.528  1.9527  3.352259       9.232736  
1 1 1 3   6   35 o 14.155  6.6614  -170.0915  262.621  -142.0020  416.967  -188.5615  338.113  17.971  8.4368  15.932  7.5160  2.038733       11.29911  
1 1 1 3   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   6   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   7   0  o 177.815 3.7357  17127.06   719.475  17449.98   846.636  16287.71   1364.97  179.476 4.3553  173.345 7.2701  6.130783       8.474880  
1 1 1 3   7   1  o 256.693 9.2483  35736.38   2571.26  0.0000     0.0000   35736.38   2571.26  ?       ?       256.693 9.2483  0.000000       9.248285  
1 1 1 3   7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   7   4  o 131.701 2.9606  9395.12    422.323  9503.74    597.261  9286.51    597.247  132.447 4.1634  130.924 4.2118  1.523071       5.922268  
1 1 1 3   7   5  o 334.934 6.1626  60817.69   2235.58  62102.72   2937.33  59048.47   3446.57  338.327 8.0158  329.767 9.6496  8.560333       12.54463  
1 1 1 3   7   6  o 250.473 5.2371  34007.86   1420.77  33838.95   1740.15  34345.60   2460.66  249.789 6.4320  251.474 9.0341  -1.685577      11.08990  
1 1 1 3   7   7  o 499.223 9.5531  135387.91  5165.45  124340.90  6326.15  157486.20  8947.42  477.951 12.220  537.101 15.381  -59.14957      19.64435  
1 1 1 3   7   8  o 108.211 2.6997  6342.59    316.417  6226.58    447.426  6458.66    447.537  107.207 3.8533  109.187 3.7843  -1.980377      5.400800  
1 1 1 3   7   9  o 606.388 20.192  200625.50  13261.70 0.0000     0.0000   200625.50  13261.70 ?       ?       606.388 20.192  0.000000       20.19194  
1 1 1 3   7   10 o 65.570  2.4315  2328.56    172.686  2488.89    243.914  2167.45    244.516  67.787  3.3222  63.155  3.5894  4.631634       4.890891  
1 1 1 3   7   11 o 627.891 11.180  213941.00  7602.94  204771.70  11816.26 220419.00  9931.93  613.331 17.787  636.898 14.398  -23.56714      22.88425  
1 1 1 3   7   12 o 568.109 10.307  175116.50  6341.82  181346.91  8288.32  166317.41  9849.85  577.770 13.245  552.841 16.450  24.92853       21.11908  
1 1 1 3   7   13 o 517.834 9.9064  145510.30  5556.20  149624.91  9622.58  143452.41  6805.30  524.093 16.952  513.890 12.227  10.20251       20.90097  
1 1 1 3   7   14 o 469.271 9.0725  119507.70  4611.29  119059.60  5647.19  120404.50  7988.27  468.142 11.137  470.052 15.691  -1.909515      19.24146  
1 1 1 3   7   15 o 834.507 17.820  381100.31  16106.81 403936.09  24983.26 364857.41  21070.30 853.395 27.029  813.145 23.924  40.25006       36.09594  
1 1 1 3   7   16 o 221.566 4.3928  26607.44   1054.17  25747.59   1598.05  27269.86   1402.63  217.832 6.7733  224.239 5.7751  -6.406967      8.901083  
1 1 1 3   7   17 o 349.711 6.0077  66361.23   2275.56  62134.38   3216.87  70594.71   3219.40  338.011 8.7868  360.379 8.2479  -22.36807      12.05142  
1 1 1 3   7   18 o 469.648 8.4978  120007.10  4322.65  116615.80  6698.59  122427.10  5658.49  461.372 13.405  473.607 11.031  -12.23441      17.36006  
1 1 1 3   7   19 o 273.375 5.2344  40556.93   1549.87  39110.52   2371.18  41635.80   2047.88  268.054 8.1672  276.784 6.8311  -8.729401      10.64739  
1 1 1 3   7   20 o 87.277  2.8694  4128.11    271.246  4126.10    377.754  4130.24    389.724  87.226  3.9984  87.266  4.1233  -0.3988647E-01 5.743590  
1 1 1 3   7   21 o 206.924 4.1963  23228.04   940.469  22713.57   1253.42  23890.82   1422.65  204.475 5.6596  209.633 6.2657  -5.157883      8.443311  
1 1 1 3   7   22 o 105.094 2.7873  5986.83    317.268  5659.78    422.882  6407.98    479.873  102.143 3.8225  108.672 4.0770  -6.529030      5.588653  
1 1 1 3   7   23 o 37.301  4.4576  766.341    176.522  661.122    238.416  894.002    262.614  34.252  6.6664  40.047  6.2594  -5.794418      9.144414  
1 1 1 3   7   24 o 52.797  3.4531  1519.46    196.376  1395.32    268.417  1662.44    288.058  50.398  4.9826  55.067  4.8802  -4.669437      6.974449  
1 1 1 3   7   25 o 120.140 3.1121  7837.35    404.961  8292.22    571.865  7379.82    573.541  123.432 4.2776  116.405 4.5491  7.026543       6.244328  
1 1 1 3   7   26 o 71.377  3.0475  2769.09    235.594  2837.19    331.667  2699.74    334.714  71.999  4.2722  70.200  4.4248  1.798790       6.150672  
1 1 1 3   7   27 o 46.627  1.4260  1178.66    72.017   1216.66    102.451  1141.54    101.253  47.348  1.9977  45.861  2.0384  1.486958       2.854139  
1 1 1 3   7   28 o 82.810  3.3609  3741.71    301.445  3488.38    412.479  4032.11    441.628  79.508  4.8125  85.508  4.7877  -6.000137      6.788444  
1 1 1 3   7   29 o 84.423  2.9586  3888.07    270.534  3638.96    334.873  4356.14    459.030  81.483  3.7944  88.716  4.7950  -7.232674      6.114643  
1 1 1 3   7   30 f 15.722  7.1830  -151.8853  272.856  -336.4654  424.937  -22.3915   355.923  18.394  8.5974  19.904  8.7015  -1.510233      12.23237  
1 1 1 3   7   31 o 43.284  2.3543  1024.99    109.956  1100.26    331.968  1015.72    116.534  43.070  7.3820  43.058  2.5097  0.1192093E-01  7.796924  
1 1 1 3   7   32 o 35.719  1.8223  696.344    70.264   698.498    71.773   646.738    344.450  35.768  1.8591  31.897  9.3593  3.870815       9.542180  
1 1 1 3   7   33 o 17.191  7.2264  70.738     228.213  -143.6254  312.854  314.520    333.632  16.501  7.5951  23.820  9.1695  -7.319349      11.90653  
1 1 1 3   7   34 o 34.348  6.8935  752.980    247.537  867.888    339.536  622.616    361.650  35.185  8.9026  29.079  9.7463  6.105198       13.20026  
1 1 1 3   7   35 o 24.913  8.5506  440.587    278.454  184.469    442.065  609.046    358.519  21.572  9.5535  28.091  9.6988  -6.519102      13.61381  
1 1 1 3   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   7   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   1  o 398.919 13.570  86454.77   5863.10  0.0000     0.0000   86454.77   5863.10  ?       ?       398.919 13.570  0.000000       13.56977  
1 1 1 3   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   3  f 110.702 2.6558  6637.61    318.433  6763.56    450.501  6511.85    450.163  111.740 3.7224  109.640 3.7908  2.099510       5.312828  
1 1 1 3   8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   7  o 362.484 6.2063  71247.30   2436.65  70564.32   3445.87  71930.34   3446.00  360.509 8.8250  363.990 8.7409  -3.481537      12.42108  
1 1 1 3   8   8  o 148.092 3.3616  11880.25   539.192  11889.58   762.409  11870.91   762.656  148.130 4.7520  148.014 4.7573  0.1163940      6.724053  
1 1 1 3   8   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   10 o 810.528 43.129  367076.00  37726.05 0.0000     0.0000   367076.00  37726.05 ?       ?       810.528 43.129  0.000000       43.12890  
1 1 1 3   8   11 o 492.401 9.4827  131498.09  5057.32  134948.00  7152.09  128048.20  7152.17  498.469 13.247  485.521 13.601  12.94803       18.98595  
1 1 1 3   8   12 o 535.227 8.8460  155356.30  5128.07  156552.50  7252.39  154160.09  7251.97  536.911 12.471  532.781 12.567  4.129761       17.70493  
1 1 1 3   8   13 o 646.604 12.364  227136.09  8658.85  224726.91  14996.07 228341.09  10605.41 641.098 21.596  647.812 15.115  -6.714111      26.36040  
1 1 1 3   8   14 o 463.578 8.9259  116621.80  4481.72  116841.80  5488.61  116181.80  7763.59  463.778 10.927  461.743 15.524  2.034546       18.98344  
1 1 1 3   8   15 o 422.353 10.132  96935.92   4634.80  99556.03   6554.68  94315.94   6554.51  427.325 14.162  415.849 14.552  11.47568       20.30598  
1 1 1 3   8   16 o 163.866 3.5756  14549.91   634.607  13408.68   856.236  15940.91   945.297  157.266 5.0268  171.472 5.0899  -14.20567      7.153672  
1 1 1 3   8   17 o 355.290 7.1319  68552.51   2744.46  71549.73   3880.19  65551.98   3882.33  362.508 9.8824  346.895 10.333  15.61301       14.29798  
1 1 1 3   8   18 o 173.967 3.6849  16404.37   694.331  15251.34   933.332  17833.29   1039.01  167.672 5.1393  181.301 5.2911  -13.62892      7.376220  
1 1 1 3   8   19 o 298.740 5.6661  48450.14   1833.36  49529.42   2414.37  46980.23   2817.61  301.789 7.3863  293.652 8.8589  8.137207       11.53418  
1 1 1 3   8   20 o 115.330 2.9548  7208.73    369.095  6523.49    518.821  7910.92    525.196  109.662 4.3681  120.778 4.0148  -11.11549      5.932843  
1 1 1 3   8   21 o 143.633 3.3441  11184.75   520.235  10591.37   710.661  11869.89   763.640  139.696 4.6969  147.883 4.7676  -8.186569      6.692592  
1 1 1 3   8   22 o 231.650 4.3132  29124.88   1082.18  28163.38   1528.08  30092.32   1532.80  227.527 6.2007  235.221 6.0164  -7.694016      8.639823  
1 1 1 3   8   23 o 156.304 3.4975  13254.12   592.095  13165.71   804.155  13358.80   875.023  155.663 4.7696  156.757 5.1537  -1.094055      7.022142  
1 1 1 3   8   24 o 28.435  1.7099  439.704    52.416   471.220    237.744  438.094    53.739   28.815  7.5330  28.379  1.7569  0.4360504      7.735137  
1 1 1 3   8   25 o 122.537 3.0630  8152.73    406.524  7995.77    573.699  8311.03    576.133  121.188 4.3707  123.564 4.3049  -2.375786      6.134753  
1 1 1 3   8   26 o 101.380 2.8463  5583.88    312.537  5960.63    458.978  5258.15    426.767  104.572 4.0523  98.223  4.0115  6.348770       5.702075  
1 1 1 3   8   27 o 67.444  2.3466  2470.59    171.418  2693.15    205.845  1967.08    309.614  70.383  2.7003  59.710  4.8288  10.67299       5.532527  
1 1 1 3   8   28 f 94.914  3.2658  4913.57    335.732  4609.02    460.557  5258.93    490.446  91.474  4.6640  97.842  4.6280  -6.368324      6.570489  
1 1 1 3   8   29 o 144.582 5.0767  11565.82   794.997  11781.86   1194.45  11394.00   1065.21  143.785 7.6977  142.220 6.9152  1.565384       10.34769  
1 1 1 3   8   30 o 40.784  7.3593  976.600    313.121  720.503    476.341  1171.46    415.506  34.244  11.174  43.996  9.0223  -9.752846      14.36189  
1 1 1 3   8   31 o 76.562  3.4400  3224.35    285.261  3324.25    411.750  3132.15    395.577  76.952  4.9667  74.714  4.9158  2.238129       6.988088  
1 1 1 3   8   32 o 9.0778  2.9653  43.619     33.542   40.916     33.724   292.625    323.666  8.8904  2.9762  23.899  9.0716  -15.00843      9.547335  
1 1 1 3   8   33 o 63.019  4.1444  2243.04    281.301  2411.50    384.360  2048.74    412.801  64.309  5.5733  58.384  6.6463  5.924473       8.673845  
1 1 1 3   8   34 o 18.395  7.4743  150.331    233.052  127.715    318.471  176.406    341.951  19.580  8.3943  20.691  8.7793  -1.111010      12.14661  
1 1 1 3   8   35 o 33.879  1.7258  630.171    63.118   240.900    436.820  638.472    63.788   22.173  9.6680  34.100  1.7328  -11.92732      9.822015  
1 1 1 3   8   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   8   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   9   0  o 108.430 2.6029  6367.78    305.682  6187.17    432.263  6548.45    432.335  106.874 3.7343  109.951 3.6304  -3.076782      5.208099  
1 1 1 3   9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   9   3  o 524.477 17.561  149929.91  9975.84  149929.91  9975.84  0.0000     0.0000   524.477 17.561  ?       ?       0.000000       17.56113  
1 1 1 3   9   4  o 172.178 3.4181  16059.06   637.422  15414.60   901.437  16703.56   901.464  168.661 4.9346  175.575 4.7404  -6.914185      6.842624  
1 1 1 3   9   5  f 434.959 8.5145  102692.20  4011.23  99294.36   6948.12  104390.80  4912.56  426.664 15.035  438.301 10.348  -11.63718      18.25226  
1 1 1 3   9   6  o 539.019 12.731  158263.50  7432.38  161286.50  10511.10 155240.59  10510.86 542.609 17.885  532.222 18.234  10.38672       25.54103  
1 1 1 3   9   7  o 600.837 20.117  198015.59  13091.31 0.0000     0.0000   198015.59  13091.31 ?       ?       600.837 20.117  0.000000       20.11668  
1 1 1 3   9   8  o 436.991 7.3736  103547.50  3489.97  103872.20  4935.45  103222.70  4935.67  437.399 10.418  436.026 10.451  1.373260       14.75663  
1 1 1 3   9   9  o 429.443 9.2668  100021.90  4310.25  102962.00  6719.83  97966.75   5618.25  435.267 14.254  424.776 12.212  10.49185       18.76951  
1 1 1 3   9   10 o 756.908 25.078  313304.19  20559.01 0.0000     0.0000   313304.19  20559.01 ?       ?       756.908 25.078  0.000000       25.07776  
1 1 1 3   9   11 o 624.656 17.667  212400.59  11952.82 208050.20  14206.26 222944.59  22116.50 617.521 21.240  635.411 32.242  -17.89050      38.60915  
1 1 1 3   9   12 o 317.562 5.5787  54643.93   1918.82  52215.12   2714.06  57071.17   2713.18  310.328 8.0747  324.454 7.7207  -14.12610      11.17184  
1 1 1 3   9   13 o 144.898 4.4760  11374.83   702.463  11190.60   994.813  11558.04   992.057  143.688 6.3922  146.031 6.2722  -2.342255      8.955510  
1 1 1 3   9   14 o 149.687 3.2592  12137.50   528.394  12693.22   745.419  11576.24   749.120  153.056 4.4966  146.162 4.7320  6.893600       6.527705  
1 1 1 3   9   15 o 141.769 4.5438  10892.01   697.710  9965.22    986.995  11817.74   986.428  135.547 6.7229  147.627 6.1692  -12.08014      9.124485  
1 1 1 3   9   16 o 129.320 3.1193  9060.69    436.915  8613.08    604.693  9549.63    631.994  126.058 4.4289  132.736 4.3960  -6.677551      6.240149  
1 1 1 3   9   17 o 438.432 7.8871  104458.90  3745.35  106526.20  4905.30  101569.00  5799.80  442.225 10.241  431.225 12.418  11.00006       16.09596  
1 1 1 3   9   18 o 203.405 4.0326  22429.94   888.416  21078.94   1336.16  23500.51   1189.42  197.036 6.2610  208.124 5.2765  -11.08759      8.187841  
1 1 1 3   9   19 o 415.133 7.0232  93683.62   3157.87  88771.73   4464.73  98600.67   4467.08  403.250 10.222  425.158 9.7007  -21.90732      14.09257  
1 1 1 3   9   20 o 67.436  3.0070  2464.73    219.634  2267.05    303.672  2681.57    318.046  64.499  4.3727  70.188  4.2030  -5.688950      6.065149  
1 1 1 3   9   21 o 90.809  2.9301  4469.60    288.197  4308.82    401.975  4639.67    413.409  89.122  4.1643  92.482  4.1272  -3.359734      5.863030  
1 1 1 3   9   22 o 108.085 3.0222  6333.55    353.797  6309.87    497.063  6357.87    503.691  107.825 4.2562  108.232 4.2967  -0.4071274     6.047899  
1 1 1 3   9   23 o 131.086 3.1879  9319.63    452.620  9188.59    630.047  9459.39    650.651  130.067 4.4724  131.963 4.5523  -1.895752      6.381617  
1 1 1 3   9   24 o 60.368  3.3362  1983.87    217.293  1948.73    305.267  2019.96    309.370  59.667  4.7634  60.758  4.7386  -1.091232      6.718935  
1 1 1 3   9   25 o 84.328  3.0076  3860.87    274.698  4134.82    389.368  3589.40    387.601  87.171  4.1240  81.070  4.4310  6.101112       6.053205  
1 1 1 3   9   26 o 113.374 3.0303  6986.62    372.113  7080.91    527.214  6893.03    525.286  113.930 4.2724  112.401 4.3148  1.529800       6.072147  
1 1 1 3   9   27 o 109.813 2.9349  6560.83    349.071  6717.50    470.950  6369.81    520.012  110.915 3.9202  107.879 4.4505  3.036484       5.930845  
1 1 1 3   9   28 o 93.979  4.5343  4849.49    461.540  5352.95    674.904  4407.20    632.581  97.882  6.4013  88.676  6.6344  9.206444       9.219058  
1 1 1 3   9   29 o 123.759 4.5608  8440.58    611.349  8277.00    865.434  8603.52    863.725  121.243 6.6153  123.721 6.4681  -2.477989      9.251945  
1 1 1 3   9   30 o 76.530  3.5632  3214.73    295.355  2916.53    407.502  3544.76    428.694  72.160  5.2499  79.710  4.9907  -7.549995      7.243521  
1 1 1 3   9   31 o 39.088  5.7171  879.095    234.890  1134.95    324.571  597.742    340.360  43.893  7.0671  31.065  9.3504  12.82839       11.72063  
1 1 1 3   9   32 o 47.067  4.9358  1258.62    247.874  1270.51    341.606  1245.40    360.227  46.223  7.0462  45.447  7.5855  0.7761536      10.35324  
1 1 1 3   9   33 o 47.847  5.0158  1323.08    256.072  1613.57    351.855  995.961    373.383  51.922  6.3916  38.792  9.0521  13.13012       11.08119  
1 1 1 3   9   34 o 4.4326  2.2455  -189.7444  54.185   246.357    321.937  -202.4585  54.969   21.545  8.7728  4.3742  2.2207  17.17069       9.049541  
1 1 1 3   9   35 o 21.551  9.0619  251.909    359.055  317.853    426.747  92.086     664.364  23.053  9.7958  22.865  10.707  0.1880608      14.51222  
1 1 1 3   9   36 o 29.819  10.909  830.036    459.734  830.036    459.734  0.0000     0.0000   29.819  10.909  ?       ?       0.000000       10.90932  
1 1 1 3   9   37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  1  o 348.794 12.021  66059.91   4541.32  0.0000     0.0000   66059.91   4541.32  ?       ?       348.794 12.021  0.000000       12.02106  
1 1 1 3   10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  3  o 229.115 4.2797  28439.53   1062.02  28070.25   1501.99  28808.75   1501.87  227.576 6.0935  230.552 6.0144  -2.976639      8.561785  
1 1 1 3   10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  5  o 250.554 4.5404  34020.51   1232.16  32605.27   1742.51  35435.85   1742.57  245.196 6.5613  255.632 6.2937  -10.43628      9.091846  
1 1 1 3   10  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   10  8  o 459.362 8.9670  114479.10  4461.40  117143.50  6309.41  111814.80  6309.33  464.280 12.547  453.559 12.843  10.72049       17.95490  
1 1 1 3   10  9  o 133.460 2.9810  9647.34    430.910  9830.72    609.836  9464.48    608.963  134.713 4.1796  132.179 4.2536  2.533829       5.963408  
1 1 1 3   10  10 o 368.802 6.3123  73704.74   2521.45  73218.38   3565.84  74191.13   3565.88  367.467 8.9593  369.904 8.9004  -2.436005      12.62875  
1 1 1 3   10  11 o 224.420 4.4298  27283.92   1076.76  26685.00   1429.53  28069.32   1637.03  221.915 5.9475  227.581 6.6412  -5.666763      8.915109  
1 1 1 3   10  12 o 507.378 8.4520  139596.00  4644.75  139443.70  6568.64  139748.41  6568.70  506.768 11.967  507.323 11.954  -0.5547791     16.91514  
1 1 1 3   10  13 o 510.181 12.066  141392.59  6667.62  141044.80  9429.54  141740.30  9429.33  508.762 17.112  510.023 17.070  -1.260590      24.17013  
1 1 1 3   10  14 o 453.672 8.2817  111667.30  4069.44  116267.60  5327.36  105222.40  6305.65  462.647 10.631  439.756 13.239  22.89069       16.97918  
1 1 1 3   10  15 o 286.776 10.443  44705.63   3243.79  47779.07   4587.41  41632.19   4587.41  295.981 14.310  275.710 15.424  20.27084       21.03953  
1 1 1 3   10  16 o 288.866 5.5433  45251.30   1734.36  44731.08   2660.14  45635.93   2287.36  286.928 8.5597  289.947 7.2836  -3.018372      11.23921  
1 1 1 3   10  17 o 191.979 3.7465  19975.11   779.010  19622.91   1100.15  20329.29   1103.23  190.201 5.3403  193.599 5.2613  -3.397705      7.496698  
1 1 1 3   10  18 o 227.734 4.2178  28119.56   1040.37  26566.65   1469.65  29679.46   1472.96  221.211 6.1339  233.842 5.8157  -12.63014      8.452611  
1 1 1 3   10  19 o 219.654 4.2668  26165.60   1015.10  26574.97   1352.42  25637.43   1536.20  221.248 5.6437  217.219 6.5295  4.028595       8.630502  
1 1 1 3   10  20 o 177.312 3.7227  17047.04   714.942  15686.41   1062.23  18173.90   966.677  169.943 5.7709  182.999 4.8771  -13.05550      7.555748  
1 1 1 3   10  21 o 90.152  2.9621  4405.29    289.229  4293.42    406.011  4520.54    412.122  88.960  4.2138  91.285  4.1683  -2.324425      5.927098  
1 1 1 3   10  22 o 237.541 4.4231  30629.82   1137.98  29784.81   1610.47  31472.47   1608.23  233.948 6.3557  240.518 6.1735  -6.569656      8.860430  
1 1 1 3   10  23 o 113.615 3.0670  7000.27    377.412  6826.10    533.012  7175.39    534.473  112.110 4.3896  114.950 4.2929  -2.839630      6.139791  
1 1 1 3   10  24 o 99.061  2.7149  5322.03    291.287  5382.79    409.742  5259.94    414.177  99.555  3.8000  98.406  3.8859  1.149033       5.435085  
1 1 1 3   10  25 o 71.918  3.0954  2808.71    241.114  3014.48    341.107  2603.23    340.867  74.296  4.2566  68.976  4.5889  5.320587       6.259119  
1 1 1 3   10  26 o 92.593  2.9546  4659.46    296.311  4531.33    419.749  4786.74    418.350  91.139  4.2522  93.693  4.1225  -2.553825      5.922536  
1 1 1 3   10  27 o 48.002  2.0436  1250.66    106.248  1281.15    112.989  1017.76    312.273  48.578  2.1475  42.255  7.0731  6.322159       7.391922  
1 1 1 3   10  28 o 29.224  8.5898  496.009    289.914  582.538    442.080  430.714    384.024  32.105  10.776  28.511  10.027  3.594160       14.71910  
1 1 1 3   10  29 o 102.005 4.0645  5714.13    449.054  5595.72    587.901  5879.98    695.751  100.261 5.4341  102.305 6.3097  -2.044228      8.327179  
1 1 1 3   10  30 o 79.034  3.5013  3427.15    299.720  3036.29    413.011  3861.99    435.629  73.645  5.2115  83.273  4.8510  -9.627678      7.119800  
1 1 1 3   10  31 o 56.608  2.4873  1749.87    152.505  1811.65    167.460  1449.59    369.193  57.559  2.6861  49.706  7.0556  7.853249       7.549660  
1 1 1 3   10  32 o 44.202  5.1828  1117.11    243.418  1065.64    334.877  1174.77    354.447  41.915  7.6586  44.022  7.7150  -2.107098      10.87084  
1 1 1 3   10  33 o 43.952  2.2871  1061.68    108.499  950.922    341.801  1074.09    114.417  38.287  8.4672  44.177  2.4003  -5.889870      8.800797  
1 1 1 3   10  34 o ?       ?       -233.9466  42.644   -229.7618  43.007   -478.9818  329.091  ?       ?       13.637  6.6719  0.000000       6.671878  
1 1 1 3   10  35 o 30.077  9.9166  713.445    374.794  819.269    449.133  470.749    680.164  31.099  10.849  25.841  11.619  5.258413       15.89622  
1 1 1 3   10  36 o 16.231  7.8213  -283.7397  408.831  -283.7397  408.831  0.0000     0.0000   16.231  7.8213  ?       ?       0.000000       7.821286  
1 1 1 3   10  37 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   11  0  o 191.670 3.4796  19899.71   722.366  19972.73   1021.57  19826.69   1021.59  191.999 4.9124  191.296 4.9306  0.7035370      6.960100  
1 1 1 3   11  1  o 568.899 18.982  176490.30  11696.54 176490.30  11696.54 0.0000     0.0000   568.899 18.982  ?       ?       0.000000       18.98243  
1 1 1 3   11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   11  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   11  4  o 344.343 7.0246  64301.59   2619.90  65650.00   3208.53  61603.88   4538.30  347.822 8.5169  336.545 12.450  11.27640       15.08465  
1 1 1 3   11  5  o 523.852 17.612  150180.09  9992.63  150180.09  9992.63  0.0000     0.0000   523.852 17.612  ?       ?       0.000000       17.61169  
1 1 1 3   11  6  f 103.675 2.6206  5822.26    294.269  6096.67    416.253  5548.10    416.065  106.078 3.6229  101.191 3.7962  4.887177       5.247538  
1 1 1 3   11  7  o 253.744 5.3064  34897.16   1458.35  33181.56   1786.23  38327.04   2525.62  247.370 6.6668  265.732 8.7751  -18.36272      11.02041  
1 1 1 3   11  8  o 430.378 7.7719  100436.60  3622.84  100402.20  4744.88  100484.80  5610.05  430.108 10.185  430.099 12.043  0.9765625E-02  15.77249  
1 1 1 3   11  9  o 173.878 3.4818  16376.32   655.714  16174.70   927.338  16577.92   927.300  172.787 4.9552  174.928 4.8943  -2.141327      6.964750  
1 1 1 3   11  10 o 321.497 5.5730  56002.20   1940.59  58307.87   2744.82  53697.93   2743.99  327.975 7.7269  314.731 8.0496  13.24463       11.15796  
1 1 1 3   11  11 o 496.032 8.8962  133424.41  4779.53  131346.20  6252.38  136346.30  7413.55  491.913 11.735  500.983 13.663  -9.070587      18.01053  
1 1 1 3   11  12 o 214.303 4.6585  24881.27   1081.30  26049.77   1874.23  24298.30   1323.84  219.195 7.8945  211.755 5.7721  7.440125       9.779530  
1 1 1 3   11  13 o 662.105 12.613  238220.20  9044.99  241941.20  11078.07 230779.09  15665.65 666.710 15.341  649.338 22.274  17.37268       27.04630  
1 1 1 3   11  14 f 362.798 6.6964  71368.43   2631.32  67372.20   4060.18  74262.36   3455.12  352.163 10.645  369.931 8.6233  -17.76727      13.69925  
1 1 1 3   11  15 o 390.942 9.4284  83028.02   3992.26  88714.95   5646.32  77342.73   5645.50  403.556 12.918  376.641 13.839  26.91501       18.93118  
1 1 1 3   11  16 o 82.282  2.7727  3667.76    247.106  3233.04    344.457  4128.69    354.688  77.125  4.1387  87.286  3.7517  -10.16187      5.586057  
1 1 1 3   11  17 o 87.031  2.9271  4103.96    275.916  4274.03    370.603  3892.46    413.286  88.800  3.8532  84.610  4.5262  4.190697       5.944246  
1 1 1 3   11  18 o 32.526  1.7310  574.669    60.761   590.187    63.149   381.131    223.017  32.961  1.7754  26.177  7.4880  6.783508       7.695616  
1 1 1 3   11  19 o 138.373 3.1584  10377.24   473.357  9950.95    667.601  10808.23   671.270  135.444 4.5508  141.166 4.3903  -5.721725      6.323354  
1 1 1 3   11  20 o 223.820 4.1983  27171.72   1017.76  26820.37   1438.67  27523.71   1440.00  222.190 5.9782  225.093 5.9065  -2.902985      8.403869  
1 1 1 3   11  21 f 292.237 6.0232  46419.21   1906.47  45996.64   2694.52  46842.82   2697.80  290.362 8.5678  293.038 8.4999  -2.675690      12.06883  
1 1 1 3   11  22 o 172.741 3.8904  16189.42   727.883  16910.89   1027.68  15463.15   1031.10  176.401 5.3788  168.651 5.6447  7.749680       7.797067  
1 1 1 3   11  23 o 51.250  2.2733  1423.51    126.190  1365.03    140.026  1676.33    291.144  50.113  2.5886  55.321  4.9101  -5.207306      5.550660  
1 1 1 3   11  24 o 189.745 3.7790  19553.74   776.630  19690.71   1098.06  19416.63   1098.58  190.138 5.3320  188.802 5.3722  1.336090       7.569075  
1 1 1 3   11  25 o 108.583 3.0144  6401.81    354.507  6686.69    501.645  6117.60    501.053  110.838 4.1787  105.992 4.3645  4.845810       6.042390  
1 1 1 3   11  26 o 64.178  3.3818  2247.21    234.245  2325.79    332.109  2169.41    330.442  65.065  4.7454  62.798  4.8969  2.266228       6.818964  
1 1 1 3   11  27 o 76.542  3.3187  3191.92    275.129  3346.65    321.146  2765.09    533.401  78.304  3.7866  70.157  7.1182  8.146927       8.062670  
1 1 1 3   11  28 o 46.651  6.4427  1232.89    316.848  591.817    474.228  1749.83    425.848  32.525  11.159  55.425  7.2691  -22.89957      13.31772  
1 1 1 3   11  29 o 4.6364  2.2356  -52.3334   33.532   -57.3197   33.728   371.579    310.987  4.5393  2.2016  26.158  9.0330  -21.61858      9.297390  
1 1 1 3   11  30 o 19.438  7.3802  165.180    214.258  63.660     293.683  280.700    313.280  19.486  8.1947  23.990  8.9637  -4.503380      12.14505  
1 1 1 3   11  31 o 26.863  0.9826  391.297    28.588   398.916    28.711   -494.9322  309.643  27.123  0.9773  13.570  6.6021  13.55323       6.674026  
1 1 1 3   11  32 o 22.803  1.8528  285.029    45.365   220.867    311.007  286.424    45.856   22.262  8.7709  22.857  1.8686  -0.5949421     8.967710  
1 1 1 3   11  33 o 32.740  6.9315  664.488    238.137  773.619    328.064  542.941    346.221  34.171  8.8082  28.503  9.5362  5.667540       12.98168  
1 1 1 3   11  34 o 28.111  2.3262  438.262    70.191   428.327    71.607   682.065    354.729  27.766  2.4048  30.454  9.6153  -2.688158      9.911418  
1 1 1 3   11  35 o 33.287  9.8336  862.905    379.103  673.880    455.606  1288.32    683.500  28.406  10.768  34.812  13.190  -6.405558      17.02709  
1 1 1 3   11  36 o 28.414  10.761  746.591    454.795  746.591    454.795  0.0000     0.0000   28.414  10.761  ?       ?       0.000000       10.76097  
1 1 1 3   12  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   12  1  o 432.564 14.635  101770.70  6856.56  0.0000     0.0000   101770.70  6856.56  ?       ?       432.564 14.635  0.000000       14.63476  
1 1 1 3   12  2  o 111.360 2.6358  6716.80    317.916  6810.25    638.832  6686.04    366.526  112.106 5.2612  111.102 3.0459  1.004768       6.079298  
1 1 1 3   12  3  o 107.092 2.6705  6212.00    309.759  6155.54    622.489  6230.58    357.113  106.437 5.4176  107.249 3.0743  -0.8119659     6.229082  
1 1 1 3   12  4  o 328.611 5.5965  58534.86   1991.92  58281.64   2817.09  58788.05   2816.91  327.743 7.9359  329.167 7.9011  -1.423523      11.19849  
1 1 1 3   12  5  o 308.448 5.3824  51575.38   1798.17  49125.79   2542.94  54025.20   2543.06  300.867 7.8036  315.544 7.4409  -14.67688      10.78253  
1 1 1 3   12  6  o 411.381 6.9896  91802.22   3114.35  91071.54   4404.34  92532.91   4404.36  409.393 9.9328  412.676 9.8538  -3.282562      13.99133  
1 1 1 3   12  7  o 262.387 5.0104  37309.68   1423.92  37442.71   1880.45  37130.88   2180.06  262.788 6.6067  261.635 7.6931  1.152039       10.14066  
1 1 1 3   12  8  o 509.639 9.8341  140929.00  5428.37  137794.50  9402.25  142496.20  6648.36  502.937 17.260  512.227 11.983  -9.290222      21.01240  
1 1 1 3   12  9  o 287.857 5.0801  44892.57   1583.88  44766.84   2239.68  45018.36   2240.19  287.394 7.1951  288.201 7.1766  -0.8068542     10.16236  
1 1 1 3   12  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   12  11 o 285.982 5.3676  44312.81   1662.59  45158.43   2191.76  43166.77   2551.56  288.648 7.0106  282.162 8.3490  6.486053       10.90205  
1 1 1 3   12  12 o 343.076 6.8085  63796.91   2529.94  68028.13   4381.00  61679.89   3098.87  353.991 11.426  337.255 8.4835  16.73599       14.23142  
1 1 1 3   12  13 f 357.927 7.0774  69455.28   2743.71  70787.37   3361.11  66794.74   4750.09  361.249 8.5903  350.596 12.509  10.65274       15.17461  
1 1 1 3   12  14 o 91.538  2.8664  4538.79    284.190  4732.06    401.865  4345.44    401.944  93.456  3.9701  89.555  4.1438  3.900925       5.738744  
1 1 1 3   12  15 o 440.504 8.5807  105363.40  4093.95  104870.50  5013.58  106349.60  7092.25  439.177 10.540  441.402 14.835  -2.224915      18.19777  
1 1 1 3   12  16 o 177.903 3.5852  17150.13   690.823  17338.46   975.825  16960.90   978.121  178.825 5.0382  176.865 5.1060  1.960602       7.173169  
1 1 1 3   12  17 o 307.733 5.3821  51370.35   1793.90  50727.31   2536.47  52013.89   2537.45  305.540 7.6646  309.403 7.5719  -3.862946      10.77402  
1 1 1 3   12  18 o 161.353 3.4171  14110.33   597.175  14035.70   843.662  14185.28   845.408  160.861 4.8422  161.717 4.8266  -0.8556976     6.836914  
1 1 1 3   12  19 o 102.585 2.7663  5702.60    307.362  5596.81    432.107  5810.94    437.289  101.598 3.9268  103.524 3.8999  -1.926125      5.534352  
1 1 1 3   12  20 o 46.442  3.6983  1176.87    184.486  1138.87    258.500  1216.33    263.372  45.489  5.3488  47.043  5.2590  -1.553711      7.501080  
1 1 1 3   12  21 o 195.226 3.8244  20671.10   808.668  20802.05   1143.00  20539.86   1144.26  195.700 5.3924  194.458 5.4328  1.241562       7.654686  
1 1 1 3   12  22 o 68.190  2.4886  2520.08    183.798  2030.06    326.757  2746.89    222.299  60.930  4.9953  71.184  2.8833  -10.25336      5.767670  
1 1 1 3   12  23 o 121.930 3.0937  8062.98    408.563  8295.79    576.652  7828.32    578.945  123.593 4.3077  120.049 4.4525  3.544319       6.195291  
1 1 1 3   12  24 o 107.256 3.0419  6241.81    353.375  6325.29    499.306  6158.02    500.191  107.872 4.2736  106.430 4.3391  1.441963       6.090264  
1 1 1 3   12  25 o 90.299  2.8090  4426.04    274.729  4795.21    426.999  4165.28    358.872  93.855  4.2005  87.516  3.7860  6.339111       5.654910  
1 1 1 3   12  26 o 185.778 3.7534  18801.11   755.246  18666.86   1069.41  18934.70   1066.76  184.556 5.3499  185.897 5.2981  -1.340515      7.529374  
1 1 1 3   12  27 o 95.000  3.8911  4928.51    400.368  4266.08    509.374  5999.27    647.609  87.897  5.3763  104.146 5.7636  -16.24919      7.881864  
1 1 1 3   12  28 o 59.611  2.5872  1933.34    167.042  1852.52    507.657  1943.15    176.892  56.529  8.5593  59.746  2.7336  -3.217175      8.985222  
1 1 1 3   12  29 o 50.382  4.4806  1408.91    241.948  1078.79    331.710  1784.21    353.678  43.110  7.3689  56.283  5.8890  -13.17286      9.432952  
1 1 1 3   12  30 o 24.402  7.5161  345.433    218.222  488.147    300.101  185.295    317.893  28.634  8.8132  22.200  8.8289  6.433838       12.47483  
1 1 1 3   12  31 o 77.473  3.4044  3302.00    285.666  3266.88    380.579  3347.34    432.339  76.434  4.6188  77.044  5.2117  -0.6103592     6.963843  
1 1 1 3   12  32 o ?       ?       -213.0374  38.480   201.919    298.835  -220.0336  38.803   21.663  8.5776  ?       ?       0.000000       8.577595  
1 1 1 3   12  33 o 30.639  1.9470  514.996    64.277   522.919    65.442   298.439    342.128  30.870  1.9675  23.468  9.2141  7.402281       9.421793  
1 1 1 3   12  34 o 23.413  7.8447  359.753    234.295  201.115    321.506  539.411    342.143  20.778  8.6438  27.388  9.4737  -6.609985      12.82442  
1 1 1 3   12  35 o 27.915  3.0488  441.686    90.680   993.018    446.527  417.971    92.610   34.500  10.772  27.078  3.2209  7.422579       11.24340  
1 1 1 3   12  36 o 21.951  9.5927  297.645    432.180  297.645    432.180  0.0000     0.0000   21.951  9.5927  ?       ?       0.000000       9.592704  
1 1 1 3   13  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   13  3  o 416.592 14.151  94489.91   6385.21  94489.91   6385.21  0.0000     0.0000   416.592 14.151  ?       ?       0.000000       14.15125  
1 1 1 3   13  4  o 138.795 3.4952  10436.63   525.430  10529.80   911.871  10390.32   642.884  139.358 6.0413  138.473 4.2865  0.8850708      7.407515  
1 1 1 3   13  5  o 215.846 3.9274  25244.53   918.161  25152.95   1298.61  25336.06   1298.34  215.394 5.5664  216.178 5.5451  -0.7835541     7.857028  
1 1 1 3   13  6  o 501.968 9.7532  136881.20  5302.67  139653.70  6494.34  131335.80  9184.71  506.655 11.835  490.064 17.304  16.59149       20.96379  
1 1 1 3   13  7  o 525.914 12.407  150371.70  7067.48  151420.00  9995.71  149323.70  9994.16  526.724 17.521  523.037 17.642  3.686768       24.86404  
1 1 1 3   13  8  o 122.056 2.8375  8069.04    375.113  8325.98    531.254  7813.57    529.729  123.975 3.9564  120.098 4.0724  3.876564       5.677773  
1 1 1 3   13  9  o 529.142 9.4197  151840.09  5398.60  148135.41  8378.98  154469.50  7059.10  522.115 14.817  533.453 12.218  -11.33746      19.20431  
1 1 1 3   13  10 o 244.660 4.4091  32426.53   1168.39  33144.81   1652.41  31708.35   1652.30  247.319 6.1687  241.897 6.3065  5.421906       8.821789  
1 1 1 3   13  11 o 224.266 4.1697  27245.44   1012.84  27655.02   1432.50  26836.02   1432.23  225.912 5.8544  222.540 5.9420  3.372269       8.341579  
1 1 1 3   13  12 o 585.505 12.499  186205.09  7926.41  183085.59  12317.87 188409.59  10355.15 579.320 19.631  588.358 16.250  -9.037903      25.48401  
1 1 1 3   13  13 o 461.873 9.6830  115770.10  4843.98  118435.30  5336.69  103303.20  11542.32 467.068 10.549  433.125 24.707  33.94214       26.86453  
1 1 1 3   13  14 o 186.884 3.7094  18921.61   750.833  18477.88   1060.50  19367.58   1063.19  184.641 5.3029  189.038 5.1927  -4.396118      7.421868  
1 1 1 3   13  15 o 333.337 7.7070  60305.16   2782.54  62405.13   3615.54  57254.43   4357.81  338.857 9.8511  324.234 12.409  14.62326       15.84394  
1 1 1 3   13  16 o 369.062 6.3328  73903.20   2531.41  71640.67   3579.90  76165.87   3580.01  363.001 9.1053  374.333 8.8299  -11.33261      12.68357  
1 1 1 3   13  17 o 39.559  2.0830  850.053    88.934   1057.82    232.370  814.397    96.263   43.884  4.9768  38.704  2.3068  5.179649       5.485429  
1 1 1 3   13  18 o 245.172 5.0254  32608.91   1334.47  31823.96   1885.97  33395.95   1888.48  241.982 7.1958  247.906 7.0332  -5.924194      10.06211  
1 1 1 3   13  19 o 399.697 6.8159  86838.55   2950.70  88917.60   4173.19  84760.04   4172.65  403.736 9.5433  394.114 9.7751  9.621857       13.66115  
1 1 1 3   13  20 o 196.574 4.2137  20959.75   897.140  21021.52   1266.21  20897.48   1271.30  196.708 5.9431  196.123 5.9848  0.5855560      8.434346  
1 1 1 3   13  21 o 86.323  2.7156  4038.51    253.897  3756.24    392.340  4241.90    333.034  83.087  4.3752  88.449  3.4764  -5.361900      5.588141  
1 1 1 3   13  22 o 151.119 3.3297  12384.26   545.004  11957.88   769.550  12813.33   771.959  148.387 4.7882  153.616 4.6397  -5.229233      6.667344  
1 1 1 3   13  23 o 139.191 3.2575  10509.21   491.093  10604.47   697.878  10415.76   691.193  139.705 4.6121  138.457 4.6091  1.248367       6.520338  
1 1 1 3   13  24 o 222.934 4.2298  27015.68   1021.33  26310.66   1443.68  27722.07   1445.08  219.573 6.0704  225.428 5.9185  -5.855057      8.478145  
1 1 1 3   13  25 o 69.284  2.5740  2604.76    193.156  2790.71    347.788  2521.82    232.271  71.427  4.5188  68.139  3.1473  3.288414       5.506811  
1 1 1 3   13  26 o 111.677 4.3292  6808.14    523.653  6830.39    746.148  6786.55    735.089  111.226 6.2186  110.893 6.1442  0.3335190      8.741959  
1 1 1 3   13  27 o 115.841 4.3938  7345.79    551.279  7866.24    762.997  6777.36    797.394  119.362 5.9018  110.300 6.7065  9.062515       8.933549  
1 1 1 3   13  28 o 20.648  2.9468  236.906    64.034   924.000    263.654  193.836    66.011   40.325  6.2379  18.557  3.4099  21.76795       7.109066  
1 1 1 3   13  29 o 28.962  7.0681  491.928    219.766  791.010    301.955  155.059    320.462  36.621  7.8487  21.898  8.8112  14.72295       11.79997  
1 1 1 3   13  30 o 75.952  3.5493  3167.62    291.985  3164.78    403.333  3170.76    423.243  75.271  4.9753  75.224  5.2272  0.4668427E-01  7.216485  
1 1 1 3   13  31 o 19.031  2.0388  199.480    41.371   258.301    296.758  198.314    41.779   22.985  8.6955  18.970  2.0668  4.014500       8.937733  
1 1 1 3   13  32 o 41.716  5.4441  1003.19    240.116  791.639    329.619  1242.37    350.493  35.437  8.6611  45.441  7.3742  -10.00405      11.37510  
1 1 1 3   13  33 o 12.333  2.4083  86.314     31.015   168.551    408.338  85.837     31.105   22.321  9.5357  12.296  2.4218  10.02586       9.838464  
1 1 1 3   13  34 o 46.539  2.0952  1189.69    105.612  1107.82    343.017  1198.27    111.005  40.754  8.0564  46.674  2.1958  -5.919899      8.350307  
1 1 1 3   13  35 o 21.920  9.0632  285.245    350.377  341.626    418.299  152.675    641.422  23.239  9.7769  23.006  10.689  0.2336502      14.48600  
1 1 1 3   13  36 o 26.689  10.306  627.359    422.481  627.359    422.481  0.0000     0.0000   26.689  10.306  ?       ?       0.000000       10.30590  
1 1 1 3   14  0  o 349.097 10.027  66147.38   3791.46  65846.03   4561.46  66820.88   6819.38  348.123 12.098  349.529 18.075  -1.406006      21.74996  
1 1 1 3   14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   14  2  o 343.020 7.3438  63807.65   2728.41  65210.65   3341.17  60999.47   4726.96  346.660 8.8987  334.896 13.032  11.76398       15.78012  
1 1 1 3   14  3  o 99.976  2.4767  5413.88    268.191  5883.50    540.750  5260.68    308.854  104.196 4.7915  98.548  2.8936  5.648308       5.597457  
1 1 1 3   14  4  o 173.728 3.4830  16351.42   655.384  15834.25   1312.83  16523.09   756.377  170.848 7.0946  174.626 3.9991  -3.777374      8.144049  
1 1 1 3   14  5  o 516.875 17.391  146210.80  9735.84  0.0000     0.0000   146210.80  9735.84  ?       ?       516.875 17.391  0.000000       17.39072  
1 1 1 3   14  6  o 518.845 17.434  147153.70  9797.49  147153.70  9797.49  0.0000     0.0000   518.845 17.434  ?       ?       0.000000       17.43440  
1 1 1 3   14  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   14  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   14  9  o 343.926 6.3336  64097.16   2359.31  63536.70   3638.99  64503.59   3098.86  342.270 9.8162  344.938 8.2945  -2.667847      12.85131  
1 1 1 3   14  10 o 214.729 4.1608  24976.97   967.695  24769.18   1286.93  25247.32   1467.92  213.811 5.5572  215.850 6.2788  -2.039200      8.384878  
1 1 1 3   14  11 o 762.662 14.451  316129.00  11936.86 327856.00  20676.02 310266.19  14619.33 774.030 24.663  754.839 17.881  19.19122       30.46294  
1 1 1 3   14  12 o 566.224 10.872  174023.80  6667.83  172888.50  11547.79 174591.70  8166.84  563.071 18.935  566.826 13.303  -3.755615      23.14069  
1 1 1 3   14  13 o 541.110 10.260  158950.09  6013.34  163474.50  7365.17  149904.09  10414.35 548.452 12.399  524.097 18.346  24.35443       22.14307  
1 1 1 3   14  14 o 642.522 11.635  224470.20  8097.07  222633.20  10575.87 227072.09  12586.84 638.960 15.282  644.428 18.033  -5.467834      23.63738  
1 1 1 3   14  15 o 447.642 8.7136  108828.60  4224.75  109699.50  5173.88  107085.90  7318.49  449.116 10.636  442.739 15.262  6.376587       18.60239  
1 1 1 3   14  16 o 252.298 4.5582  34506.81   1245.61  33071.13   1760.60  35945.63   1762.51  246.859 6.5848  257.385 6.3224  -10.52591      9.128618  
1 1 1 3   14  17 o 67.873  2.9582  2496.07    217.470  2388.33    305.212  2607.17    309.940  66.236  4.2773  69.226  4.1529  -2.989899      5.961679  
1 1 1 3   14  18 o 465.807 7.8141  118005.30  3942.36  112100.80  5574.52  123913.30  5576.17  452.932 11.363  476.402 10.807  -23.46976      15.68147  
1 1 1 3   14  19 o 219.190 4.1079  26053.70   975.248  25453.79   1378.28  26655.22   1380.14  216.498 5.8778  221.561 5.7512  -5.063583      8.223426  
1 1 1 3   14  20 o 112.722 2.9832  6886.67    364.224  6875.56    513.515  6897.90    516.679  112.586 4.2111  112.768 4.2302  -0.1819153     5.968951  
1 1 1 3   14  21 o ?       ?       -252.9551  22.848   -257.7433  22.970   193.816    221.883  ?       ?       20.876  7.5878  0.000000       7.587802  
1 1 1 3   14  22 o 85.368  3.0360  3951.21    280.717  4270.10    394.859  3625.33    399.164  88.704  4.1099  81.589  4.5349  7.114738       6.120136  
1 1 1 3   14  23 o 87.624  2.7709  4163.02    262.971  4705.89    406.218  3771.38    345.024  93.100  4.0285  83.356  3.8216  9.744514       5.552751  
1 1 1 3   14  24 o 65.191  2.6246  2304.89    185.319  2851.70    339.932  2073.66    221.058  72.289  4.3620  61.719  3.3191  10.57059       5.481202  
1 1 1 3   14  25 o 109.660 4.3093  6549.18    511.824  6900.02    729.056  6208.22    718.713  112.101 6.0267  106.254 6.2729  5.846550       8.698870  
1 1 1 3   14  26 o 109.208 4.3093  6511.04    509.723  6419.31    725.556  6600.42    716.249  107.792 6.2413  109.364 6.0706  -1.572258      8.706659  
1 1 1 3   14  27 o 53.781  2.2034  1570.70    128.348  1515.57    141.655  1823.44    303.321  52.810  2.4765  57.432  4.9238  -4.621819      5.511530  
1 1 1 3   14  28 o 76.351  2.7261  3173.73    225.442  3182.04    376.498  3169.08    281.483  75.950  4.5985  76.182  3.4114  -0.2318115     5.725697  
1 1 1 3   14  29 o 67.977  3.7041  2539.92    271.689  2341.10    373.922  2762.26    395.432  64.722  5.3829  70.398  5.2233  -5.675919      7.500580  
1 1 1 3   14  30 o 33.677  6.4222  661.132    225.703  755.772    308.795  552.577    330.717  35.412  8.2108  30.256  9.2418  5.156122       12.36235  
1 1 1 3   14  31 o 35.520  6.1642  736.596    228.548  810.114    313.088  652.733    334.393  36.426  8.1405  32.342  9.1407  4.084557       12.24008  
1 1 1 3   14  32 o 39.252  5.7587  896.528    237.544  929.811    325.981  858.843    346.866  38.817  8.0190  36.831  8.8131  1.986019       11.91533  
1 1 1 3   14  33 o 42.951  5.3947  1083.71    245.425  1263.82    336.409  878.782    358.843  45.221  7.1025  36.061  9.1674  9.159794       11.59689  
1 1 1 3   14  34 o 21.861  7.7845  301.788    232.156  386.016    316.355  203.493    341.752  24.126  9.0090  21.069  8.8490  3.057108       12.62804  
1 1 1 3   14  35 o 20.431  8.6506  204.360    330.863  19.152     392.964  655.412    613.247  18.992  8.6547  27.419  11.699  -8.427086      14.55228  
1 1 1 3   14  36 o 18.493  8.4229  54.222     371.585  54.222     371.585  0.0000     0.0000   18.493  8.4229  ?       ?       0.000000       8.422926  
1 1 1 3   15  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  4  o 105.522 2.6620  6031.59    304.242  5936.72    611.919  6062.75    350.654  104.508 5.4246  105.790 3.0603  -1.282051      6.228342  
1 1 1 3   15  5  o 374.013 6.4308  75862.45   2605.10  74899.91   5211.58  76183.05   3007.84  370.832 12.975  374.716 7.4111  -3.884216      14.94276  
1 1 1 3   15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  7  o 551.309 12.982  165206.41  7751.83  167103.09  10962.96 163309.80  10962.53 553.467 18.288  547.103 18.500  6.364197       26.01348  
1 1 1 3   15  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   15  9  o 91.308  2.4728  4515.45    244.548  4296.05    354.957  4713.67    337.397  89.057  3.6799  93.287  3.3392  -4.230034      4.969126  
1 1 1 3   15  10 o 541.979 9.5918  159310.91  5630.56  149844.41  8740.38  166026.30  7361.58  525.024 15.370  553.023 12.290  -27.99884      19.67976  
1 1 1 3   15  11 o 296.640 5.1985  47676.35   1670.24  50127.41   2363.02  45229.21   2361.14  304.105 7.1742  288.851 7.5470  15.25342       10.41285  
1 1 1 3   15  12 o 234.746 6.1165  29864.46   1555.14  29441.01   2199.60  30287.68   2198.99  232.987 8.7165  236.319 8.5912  -3.331421      12.23873  
1 1 1 3   15  13 o 211.757 4.2690  24294.16   979.112  26508.59   1482.05  22579.12   1304.27  221.145 6.1875  204.105 5.8999  17.03922       8.549498  
1 1 1 3   15  14 o 350.188 6.5793  66499.15   2495.48  68334.68   3849.00  65168.06   3277.71  354.680 10.019  346.492 8.7339  8.188416       13.29167  
1 1 1 3   15  15 o 253.031 5.3129  34710.69   1456.05  35153.96   1782.66  33822.25   2523.74  254.575 6.4652  249.487 9.3395  5.087570       11.35896  
1 1 1 3   15  16 o 673.657 11.122  247272.91  8115.08  249155.80  11475.93 245389.59  11476.99 674.169 15.716  668.990 15.839  5.178589       22.31337  
1 1 1 3   15  17 o 325.329 5.6492  57426.41   1990.59  57668.88   2814.62  57183.77   2815.61  325.707 7.9785  324.329 8.0152  1.378479       11.30933  
1 1 1 3   15  18 o 80.325  2.6253  3495.85    228.400  3699.91    357.541  3355.17    296.867  82.609  3.9960  78.677  3.4837  3.932060       5.301345  
1 1 1 3   15  19 o 255.674 5.0347  35473.39   1394.21  36507.23   2128.65  34696.68   1845.05  259.036 7.5871  252.654 6.7423  6.381836       10.15000  
1 1 1 3   15  20 o 201.300 4.1101  21978.33   896.119  21430.28   1197.42  22676.03   1351.05  198.647 5.5654  204.280 6.1062  -5.633514      8.261952  
1 1 1 3   15  21 o 204.453 3.9462  22674.45   873.870  23413.54   1234.80  21932.87   1236.88  207.600 5.4916  200.906 5.6841  6.694092       7.903602  
1 1 1 3   15  22 o 169.601 3.6656  15603.65   673.362  15034.43   995.261  16084.15   914.422  166.301 5.5255  172.078 4.9063  -5.776962      7.389347  
1 1 1 3   15  23 o 100.472 3.0371  5474.73    330.503  5134.77    463.426  5826.63    471.482  97.224  4.4009  103.581 4.2026  -6.357101      6.085163  
1 1 1 3   15  24 o 89.690  2.7997  4363.87    271.978  4779.23    416.174  4054.23    359.326  93.770  4.0977  86.385  3.8404  7.385597       5.616055  
1 1 1 3   15  25 o 62.807  4.7024  2162.77    317.568  2294.16    455.736  2038.75    442.763  64.319  6.6373  60.541  6.8741  3.778088       9.555497  
1 1 1 3   15  26 o 128.910 4.5711  9082.79    638.234  8649.03    929.298  9470.05    878.077  124.887 6.8969  131.132 6.1824  -6.244492      9.262224  
1 1 1 3   15  27 o 102.899 2.9119  5761.85    324.533  5962.08    437.478  5516.82    483.952  104.480 3.8659  100.364 4.4520  4.115524       5.896224  
1 1 1 3   15  28 o 90.660  3.0881  4481.88    303.238  4776.94    430.413  4191.09    427.290  93.309  4.2589  87.211  4.5393  6.097961       6.224389  
1 1 1 3   15  29 o 55.365  4.1735  1694.76    248.428  1537.21    342.424  1869.84    360.969  52.071  6.1930  57.616  5.8662  -5.545555      8.530278  
1 1 1 3   15  30 f 57.002  2.3133  1770.30    142.822  1826.98    305.571  1754.46    161.555  57.084  4.9925  56.697  2.6308  0.3872185      5.643254  
1 1 1 3   15  31 o 13.872  6.3240  -110.9910  210.075  199.692    286.313  -473.2975  309.186  21.573  8.4410  13.701  6.6501  7.871812       10.74590  
1 1 1 3   15  32 o 43.904  1.5751  1048.35    74.902   1087.79    76.805   281.915    338.583  44.721  1.5857  23.781  9.2140  20.93997       9.349421  
1 1 1 3   15  33 o 35.657  1.6701  693.369    64.498   611.470    309.421  697.089    65.947   30.161  8.8766  35.747  1.7033  -5.585838      9.038530  
1 1 1 3   15  34 o 10.856  2.7801  67.899     32.831   390.110    368.885  65.326     32.961   24.387  9.5700  10.654  2.8144  13.73312       9.975247  
1 1 1 3   15  35 o 27.687  9.3192  584.885    330.658  400.873    390.913  1047.63    619.906  23.936  9.6963  32.187  12.468  -8.251167      15.79497  
1 1 1 3   15  36 f 19.576  8.7280  147.050    375.254  147.050    375.254  0.0000     0.0000   19.576  8.7280  ?       ?       0.000000       8.727952  
1 1 1 3   16  0  o 188.664 3.6721  19282.95   750.367  20195.81   1004.92  18132.60   1128.09  193.053 4.8060  182.903 5.6945  10.14963       7.451466  
1 1 1 3   16  1  o 243.399 4.4108  32100.63   1162.81  32849.77   1644.62  31351.78   1644.31  246.160 6.1685  240.475 6.3131  5.684113       8.826434  
1 1 1 3   16  2  o 441.861 14.963  106457.30  7161.08  0.0000     0.0000   106457.30  7161.08  ?       ?       441.861 14.963  0.000000       14.96316  
1 1 1 3   16  3  o 400.574 7.8187  87074.51   3392.25  90170.81   4154.39  80879.69   5876.25  407.447 9.4138  385.182 14.085  22.26535       16.94149  
1 1 1 3   16  4  o 103.770 2.6102  5832.97    293.367  6058.68    590.944  5759.15    337.953  105.722 5.1607  103.107 3.0262  2.614853       5.982546  
1 1 1 3   16  5  o 302.966 5.3720  49755.13   1762.79  47451.96   3527.03  50522.01   2035.22  295.423 11.023  305.247 6.1559  -9.823364      12.62529  
1 1 1 3   16  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   16  7  o 597.420 13.991  194048.70  9053.03  201100.41  12803.35 186997.91  12802.50 607.062 19.472  585.221 20.198  21.84094       28.05582  
1 1 1 3   16  8  o 475.514 7.9603  122578.10  4099.79  119466.10  5797.82  125690.40  5798.15  469.185 11.409  481.278 11.123  -12.09256      15.93388  
1 1 1 3   16  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   16  10 o 546.770 9.0685  162117.00  5370.45  163206.00  7594.81  161027.91  7595.11  548.243 12.790  544.562 12.877  3.680359       18.14951  
1 1 1 3   16  11 o 544.432 12.832  160985.91  7566.55  162178.59  10700.21 159792.80  10701.22 545.661 18.105  541.609 18.242  4.052185       25.70154  
1 1 1 3   16  12 o 297.314 6.0137  47905.62   1936.53  48956.79   2372.53  45807.37   3351.99  300.508 7.2893  290.506 10.653  10.00189       12.90829  
1 1 1 3   16  13 o 247.021 4.4275  33061.00   1184.58  32599.54   1675.35  33522.34   1675.16  245.230 6.3076  248.680 6.2193  -3.450027      8.858076  
1 1 1 3   16  14 o 360.700 6.7017  70557.61   2618.18  70869.42   3437.09  70126.55   4041.16  361.314 8.7829  359.242 10.386  2.071350       13.60175  
1 1 1 3   16  15 o 294.199 5.9416  46938.95   1893.29  45310.32   2317.10  50210.53   3284.07  288.938 7.4041  303.890 9.9776  -14.95255      12.42467  
1 1 1 3   16  16 o 212.799 4.6611  24550.39   1074.30  24739.33   1863.82  24456.38   1314.66  213.382 8.0645  212.332 5.7165  1.049774       9.885042  
1 1 1 3   16  17 o 134.600 3.0883  9817.11    450.226  9235.33    635.627  10402.89   637.810  130.509 4.4967  138.522 4.2511  -8.013168      6.188053  
1 1 1 3   16  18 f 194.410 4.0047  20491.58   843.263  20868.40   1128.35  20014.88   1269.13  196.104 5.3124  191.990 6.1032  4.114182       8.091388  
1 1 1 3   16  19 o 352.044 6.3862  67340.64   2435.05  66276.35   3198.19  68808.61   3756.06  348.814 8.4652  355.074 9.7666  -6.259888      12.92467  
1 1 1 3   16  20 o 372.495 6.7756  75458.56   2733.61  70520.57   4218.28  79033.70   3589.28  358.923 10.851  380.697 8.7048  -21.77402      13.91093  
1 1 1 3   16  21 o 53.101  3.5903  1536.08    205.277  1423.54    291.455  1646.86    289.170  50.912  5.3662  54.856  4.9192  -3.943691      7.279780  
1 1 1 3   16  22 o 197.646 4.0172  21198.36   859.970  20870.97   1147.43  21617.93   1298.98  195.953 5.4064  199.341 6.0164  -3.388397      8.088609  
1 1 1 3   16  23 o 178.801 3.7840  17353.54   732.815  16385.67   1087.80  18157.75   991.581  173.474 5.7896  182.738 5.0099  -9.263840      7.656251  
1 1 1 3   16  24 o 208.548 5.7190  23725.77   1291.81  24876.51   1828.70  22579.56   1825.10  212.833 7.9330  202.630 8.3160  10.20288       11.49292  
1 1 1 3   16  25 o 57.376  2.5806  1786.58    160.366  1864.64    174.038  1347.48    412.762  58.608  2.7417  48.764  8.0992  9.844028       8.550652  
1 1 1 3   16  26 o 45.905  2.1023  1143.47    104.525  1141.25    113.316  1156.12    270.655  45.852  2.2817  45.555  5.6036  0.2976532      6.050366  
1 1 1 3   16  27 f 75.281  3.1830  3086.99    259.528  3120.63    366.414  3053.12    367.646  75.339  4.5111  74.500  4.5784  0.8388824      6.427389  
1 1 1 3   16  28 o 56.565  3.6487  1756.77    222.350  2193.81    314.496  1319.99    314.405  62.986  4.6427  48.350  6.1424  14.63676       7.699628  
1 1 1 3   16  29 o 29.958  6.8032  524.783    215.711  424.862    299.776  632.075    310.637  27.266  8.8629  32.506  8.6652  -5.239891      12.39508  
1 1 1 3   16  30 o 64.094  2.0544  2235.46    142.617  2276.03    201.513  2194.74    201.869  64.523  2.8835  63.347  2.9422  1.175014       4.119602  
1 1 1 3   16  31 o 34.750  6.3142  708.577    228.899  820.144    314.676  583.205    333.575  36.633  8.1421  30.632  9.2649  6.000414       12.33422  
1 1 1 3   16  32 o 8.0830  3.1457  22.643     39.598   16.686     39.899   413.482    323.180  7.7895  3.1179  26.276  9.2007  -18.48692      9.714626  
1 1 1 3   16  33 o 21.567  7.5921  277.208    220.212  221.486    295.195  347.127    330.669  21.260  8.4911  24.099  9.1641  -2.839411      12.49317  
1 1 1 3   16  34 o 32.793  7.5500  711.107    262.615  736.398    396.630  691.365    350.434  31.013  10.200  30.642  9.5390  0.3717155      13.96552  
1 1 1 3   16  35 o 20.679  2.1374  238.143    47.181   187.079    370.159  238.986    47.569   20.601  8.9417  20.712  2.1519  -0.1113930     9.196954  
1 1 1 3   16  36 o 22.853  9.4610  386.857    382.483  386.857    382.483  0.0000     0.0000   22.853  9.4610  ?       ?       0.000000       9.460967  
1 1 1 3   17  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   17  1  o 142.330 3.1987  10974.20   493.102  11369.33   726.614  10636.87   671.362  144.845 4.6316  140.105 4.4242  4.739319       6.405072  
1 1 1 3   17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   17  4  o 200.366 4.4558  21756.17   966.990  21323.22   1676.84  21971.89   1183.62  198.223 7.8103  201.324 5.4281  -3.100601      9.511294  
1 1 1 3   17  5  o 201.219 3.8819  21937.06   846.018  20118.46   1694.04  22541.34   976.512  192.549 8.1229  203.958 4.4205  -11.40884      9.247837  
1 1 1 3   17  6  o 153.152 3.2124  12705.59   532.870  11859.73   1066.89  12986.74   615.084  147.905 6.6598  154.831 3.6678  -6.926117      7.603042  
1 1 1 3   17  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   17  8  o 104.105 2.6672  5869.94    300.739  5852.57    425.038  5887.34    425.582  103.945 3.7753  104.254 3.7690  -0.3083801     5.334606  
1 1 1 3   17  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   17  10 o 905.644 30.031  450746.81  29457.66 450746.81  29457.66 0.0000     0.0000   905.644 30.031  ?       ?       0.000000       30.03104  
1 1 1 3   17  11 f 554.757 10.609  167002.50  6374.32  163464.80  11039.45 168771.91  7807.34  547.703 18.609  557.415 12.932  -9.711792      22.66136  
1 1 1 3   17  12 o 217.423 5.1103  25614.43   1203.43  25814.61   1546.73  25307.35   1915.68  218.234 6.5437  216.026 8.1874  2.208237       10.48110  
1 1 1 3   17  13 o 453.717 7.6142  111647.30  3741.77  113684.00  5291.44  109610.20  5291.88  457.512 10.678  449.216 10.876  8.296295       15.24209  
1 1 1 3   17  14 f 414.750 6.9799  93303.30   3135.50  98453.28   4434.30  88153.48   4434.23  425.743 9.6163  402.788 10.164  22.95508       13.99227  
1 1 1 3   17  15 o 208.646 4.5327  23595.29   1024.31  23396.97   1253.22  23994.41   1777.88  207.722 5.5702  210.228 7.8080  -2.506195      9.591269  
1 1 1 3   17  16 o 79.034  2.5058  3383.83    214.502  3737.21    342.323  3155.38    275.237  83.040  3.8061  76.310  3.3301  6.730682       5.057230  
1 1 1 3   17  17 o 255.489 4.5453  35394.58   1257.79  36070.03   1778.55  34718.79   1779.01  257.758 6.3707  252.872 6.4954  4.886520       9.098125  
1 1 1 3   17  18 o 183.602 3.6510  18273.22   726.032  19400.82   1026.33  17143.69   1027.20  189.102 5.0109  177.740 5.3358  11.36192       7.319890  
1 1 1 3   17  19 o 154.026 3.2576  12859.06   543.447  12312.93   766.261  13411.77   770.860  150.649 4.6961  157.238 4.5264  -6.588623      6.522384  
1 1 1 3   17  20 o 264.791 4.7362  38049.48   1358.32  36295.16   1919.40  39809.51   1922.52  258.321 6.8602  270.588 6.5598  -12.26764      9.491748  
1 1 1 3   17  21 o 126.860 3.0976  8724.48    425.623  8395.91    598.576  9060.50    605.323  124.380 4.4432  129.217 4.3251  -4.836220      6.200716  
1 1 1 3   17  22 o 316.326 5.9931  54438.39   2053.33  52799.48   2701.36  56680.98   3159.96  310.965 8.0205  321.828 9.0654  -10.86246      12.10414  
1 1 1 3   17  23 o 269.321 8.1041  39708.20   2363.98  40665.69   4119.01  39237.91   2886.73  269.246 14.174  266.978 9.9830  2.267059       17.33710  
1 1 1 3   17  24 f 126.123 4.5618  8655.72    623.165  8903.27    897.124  8424.91    866.264  127.435 6.5216  123.966 6.4742  3.468666       9.189440  
1 1 1 3   17  25 o 63.818  2.4861  2210.04    171.840  2290.90    203.974  2012.34    318.957  64.951  2.8995  60.525  4.9078  4.425941       5.700290  
1 1 1 3   17  26 o 52.976  2.0007  1522.65    114.799  1613.58    126.292  1090.15    275.425  54.528  2.1384  44.141  5.9092  10.38701       6.284231  
1 1 1 3   17  27 o 26.303  6.3461  398.363    178.714  294.619    249.215  508.190    256.419  23.694  8.0899  29.581  7.8668  -5.887241      11.28418  
1 1 1 3   17  28 o 126.319 3.1851  8706.62    435.774  8114.79    617.085  9295.36    615.474  121.419 4.6923  130.091 4.3681  -8.672554      6.410789  
1 1 1 3   17  29 o 28.797  7.2488  488.084    225.929  205.653    328.253  742.315    311.433  22.957  9.0216  35.287  8.2895  -12.32930      12.25170  
1 1 1 3   17  30 o 42.115  1.9797  964.900    90.305   985.756    93.839   703.578    332.162  42.562  2.0356  33.897  8.9247  8.665825       9.153874  
1 1 1 3   17  31 o 36.629  5.9778  779.924    228.978  1007.27    311.591  513.010    337.622  41.133  7.2593  28.973  9.4052  12.16044       11.88086  
1 1 1 3   17  32 o 4.1646  2.1115  -175.5735  48.595   290.862    289.876  -189.0609  49.293   23.235  8.6341  ?       ?       0.000000       8.634083  
1 1 1 3   17  33 o 18.036  7.2430  136.042    216.087  193.330    288.386  62.701     326.298  20.579  8.3311  19.197  8.3634  1.382498       11.80483  
1 1 1 3   17  34 o 35.062  1.9370  676.015    73.276   936.517    390.404  666.503    74.601   35.507  9.8210  34.800  1.9875  0.7069054      10.02006  
1 1 1 3   17  35 o 19.485  8.3407  163.256    313.536  196.731    366.579  72.037     605.131  20.649  8.9304  21.920  10.250  -1.271496      13.59482  
1 1 1 3   17  36 o 31.844  10.324  892.028    406.885  892.028    406.885  0.0000     0.0000   31.844  10.324  ?       ?       0.000000       10.32397  
1 1 1 3   18  0  o 65.681  2.2769  2336.63    161.974  2280.26    229.430  2392.64    228.703  64.795  3.2799  66.458  3.1773  -1.663284      4.566465  
1 1 1 3   18  1  f 512.855 12.143  143131.20  6745.25  140194.70  9539.29  146067.70  9539.17  506.281 17.396  516.881 17.039  -10.59933      24.35083  
1 1 1 3   18  2  o 238.592 4.2755  30847.72   1104.87  31477.70   1562.54  30217.78   1562.50  240.944 5.9875  236.067 6.1110  4.877243       8.555395  
1 1 1 3   18  3  o 262.443 4.7980  37329.75   1363.86  37856.73   1928.87  36802.85   1928.70  264.186 6.7410  260.477 6.8364  3.709045       9.600869  
1 1 1 3   18  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   18  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   18  6  o 491.593 9.5338  131136.09  5076.24  124816.90  8793.01  134294.91  6216.85  478.565 16.964  497.246 11.543  -18.68121      20.51882  
1 1 1 3   18  7  o 653.016 21.699  232828.30  15347.19 232828.30  15347.19 0.0000     0.0000   653.016 21.699  ?       ?       0.000000       21.69875  
1 1 1 3   18  8  o 444.156 8.6417  106956.20  4157.24  108870.20  7201.26  105999.50  5091.31  447.616 14.854  442.036 10.634  5.579437       18.26788  
1 1 1 3   18  9  o 289.330 5.4913  45355.36   1720.84  45001.02   2642.92  45616.15   2267.31  288.105 8.4696  290.111 7.2157  -2.006439      11.12654  
1 1 1 3   18  10 o 139.334 3.0530  10515.36   460.732  11526.56   653.757  9517.55    649.412  145.871 4.1379  132.547 4.5236  13.32407       6.130642  
1 1 1 3   18  11 o 375.880 8.2396  76608.73   3354.49  75287.48   5240.59  77525.84   4366.16  372.281 12.997  377.965 10.665  -5.683838      16.81280  
1 1 1 3   18  12 o 672.106 12.821  245478.59  9333.32  251199.41  11431.18 234038.50  16165.09 679.346 15.536  653.821 22.827  25.52417       27.61211  
1 1 1 3   18  13 o 215.549 4.0323  25172.01   941.384  26143.57   1331.12  24199.88   1331.51  219.626 5.5958  211.297 5.8181  8.328934       8.072411  
1 1 1 3   18  14 o 102.618 2.6712  5704.13    296.890  5475.79    421.253  5929.48    418.492  100.530 3.8688  104.614 3.6934  -4.084068      5.348737  
1 1 1 3   18  15 o 172.000 4.6631  16036.00   868.703  16462.23   1022.19  14927.70   1648.30  174.242 5.4163  165.471 9.2337  8.770950       10.70509  
1 1 1 3   18  16 o 156.882 3.8178  13339.00   648.724  14771.19   1128.80  12632.70   792.708  164.978 6.3172  152.638 4.7949  12.34044       7.930795  
1 1 1 3   18  17 o 202.377 3.8169  22200.17   836.637  23374.37   1183.10  21025.65   1183.27  207.575 5.2623  196.851 5.5498  10.72392       7.647978  
1 1 1 3   18  18 o 207.341 4.2300  23312.03   949.946  22546.44   1433.87  23910.92   1268.19  203.727 6.4982  209.886 5.5787  -6.159195      8.564331  
1 1 1 3   18  19 o 135.848 3.1150  10002.29   458.335  10373.05   645.667  9625.69    650.731  138.292 4.3106  133.208 4.5103  5.084717       6.238916  
1 1 1 3   18  20 o 169.910 3.4850  15652.06   641.341  15632.94   904.964  15671.35   909.035  169.711 4.9233  169.918 4.9394  -0.2070770     6.973939  
1 1 1 3   18  21 o 43.407  2.0830  1020.86    97.930   1017.41    104.579  1045.44    279.107  43.274  2.2389  43.429  6.1020  -0.1545105     6.499811  
1 1 1 3   18  22 o 169.940 3.5826  15665.96   659.425  16078.44   930.645  15250.04   934.502  172.027 4.9948  167.520 5.1504  4.507416       7.174592  
1 1 1 3   18  23 o 194.706 5.4682  20634.65   1153.17  18020.08   1629.70  23256.49   1631.96  181.358 8.2966  206.298 7.3037  -24.94016      11.05345  
1 1 1 3   18  24 o 129.288 4.7436  9100.65    664.259  10293.31   970.762  8050.54    910.902  137.173 6.5339  121.033 6.9782  16.13988       9.559671  
1 1 1 3   18  25 f 71.449  2.6112  2770.94    202.069  2635.25    248.048  3038.66    348.411  69.630  3.2890  74.547  4.3338  -4.916512      5.440565  
1 1 1 3   18  26 o 39.874  1.9407  862.574    83.814   910.355    88.703   464.589    256.000  40.962  1.9993  28.456  7.9821  12.50563       8.228719  
1 1 1 3   18  27 o 56.263  3.6010  1734.30    218.293  1584.88    307.400  1886.29    310.042  53.385  5.3901  58.398  4.9483  -5.012867      7.317017  
1 1 1 3   18  28 o 24.908  6.5872  359.311    180.436  282.970    250.474  441.664    260.150  23.290  8.1030  27.593  8.1445  -4.302874      11.48874  
1 1 1 3   18  29 o 43.870  4.8761  1077.34    227.771  784.668    312.526  1408.93    332.649  36.321  8.1452  49.744  6.3165  -13.42286      10.30742  
1 1 1 3   18  30 f 22.609  1.8772  279.861    45.553   270.555    46.054   699.933    309.412  22.220  1.9329  33.936  8.4503  -11.71589      8.668512  
1 1 1 3   18  31 o 67.645  3.8637  2538.56    281.904  2832.58    396.748  2238.76    400.624  70.792  5.2110  62.470  5.9947  8.322548       7.942979  
1 1 1 3   18  32 o 29.646  7.0362  536.556    222.541  366.925    296.871  754.151    336.233  24.983  8.8128  34.280  8.9569  -9.297060      12.56552  
1 1 1 3   18  33 o 24.325  7.6044  378.519    222.446  453.780    296.517  281.639    336.419  26.169  8.8249  22.811  9.0792  3.357237       12.66135  
1 1 1 3   18  34 o 14.716  6.7235  -76.9197   239.100  -247.4366  349.342  73.351     327.948  15.889  7.5385  18.901  8.3053  -3.011274      11.21639  
1 1 1 3   18  35 o 19.261  8.2860  150.962    312.197  55.837     363.729  417.142    608.440  18.818  8.4754  24.753  11.069  -5.935404      13.94144  
1 1 1 3   18  36 o 16.326  7.7020  -132.1446  355.098  -132.1446  355.098  0.0000     0.0000   16.326  7.7020  ?       ?       0.000000       7.701995  
1 1 1 3   19  0  o 392.065 6.6690  83369.98   2831.96  80706.93   4005.01  86033.00   4004.99  385.444 9.5934  397.997 9.2908  -12.55338      13.35481  
1 1 1 3   19  1  o 282.147 4.8923  43146.59   1495.06  43743.75   2114.48  42549.61   2114.18  283.979 6.8746  280.070 6.9696  3.909210       9.789532  
1 1 1 3   19  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   19  3  o 255.824 4.6363  35468.05   1284.64  36024.58   1816.79  34911.57   1816.71  257.734 6.5082  253.715 6.6110  4.018448       9.276997  
1 1 1 3   19  4  o 476.380 9.3256  123223.90  4811.71  121754.40  5892.81  126163.80  8334.98  473.207 11.497  480.797 16.006  -7.590393      19.70715  
1 1 1 3   19  5  o 177.072 3.5162  16985.34   674.361  17064.15   1351.94  16959.24   778.067  177.398 7.0362  176.926 4.0603  0.4722290      8.123670  
1 1 1 3   19  6  o 574.045 13.497  179107.91  8391.83  169397.41  11867.84 188818.41  11867.85 557.130 19.667  588.435 18.621  -31.30481      27.08404  
1 1 1 3   19  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   19  8  o 469.134 7.8785  119300.30  4003.21  113479.20  8006.90  121240.40  4622.42  456.857 16.181  472.864 9.0253  -16.00693      18.52812  
1 1 1 3   19  9  o 563.446 11.895  172307.70  7259.23  159970.20  17481.42 174878.41  7979.76  538.900 30.070  567.514 12.982  -28.61414      32.75268  
1 1 1 3   19  10 o 464.154 8.3993  116810.10  4222.56  116930.80  5526.87  116640.80  6544.48  464.198 10.993  463.430 13.038  0.7674561      17.05396  
1 1 1 3   19  11 o 393.096 7.7250  83776.41   3289.03  86778.56   5694.93  82273.89   4028.87  399.655 13.156  389.441 9.5515  10.21451       16.25787  
1 1 1 3   19  12 o 644.498 12.265  225681.00  8561.93  228923.41  10486.48 219197.30  14828.83 648.606 14.927  633.011 21.628  15.59491       26.27949  
1 1 1 3   19  13 o 605.609 9.9362  199158.09  6517.53  197246.59  9216.80  201069.91  9217.55  601.864 14.139  607.701 14.004  -5.836487      19.90025  
1 1 1 3   19  14 o 494.614 8.1615  132791.09  4372.28  134725.00  6183.23  130857.00  6183.45  497.648 11.472  490.419 11.641  7.228729       16.34356  
1 1 1 3   19  15 o 174.469 4.0787  16496.45   770.733  15661.17   943.043  18176.72   1337.53  169.958 5.1229  183.023 6.7473  -13.06439      8.471721  
1 1 1 3   19  16 o 149.537 3.9737  12120.16   643.602  13116.95   1254.15  11763.81   749.873  155.397 7.4514  147.297 4.7003  8.100021       8.809985  
1 1 1 3   19  17 o 246.046 4.8586  32833.75   1294.78  32491.56   1714.65  33287.75   1975.01  244.619 6.4716  247.501 7.3675  -2.882141      9.806248  
1 1 1 3   19  18 o 140.074 3.1561  10633.47   478.825  10607.10   676.422  10659.96   677.902  139.848 4.4657  140.197 4.4644  -0.3480835     6.314506  
1 1 1 3   19  19 o 242.008 4.4444  31770.13   1164.96  30487.37   1646.69  33055.43   1648.31  236.860 6.4188  246.666 6.1696  -9.806427      8.903075  
1 1 1 3   19  20 o 69.962  3.0906  2653.12    234.193  2664.77    322.132  2640.05    341.078  69.957  4.2719  69.605  4.5492  0.3518295      6.240529  
1 1 1 3   19  21 o 117.529 3.0123  7488.03    383.454  7710.03    542.964  7267.14    541.610  119.202 4.2055  115.721 4.3212  3.480659       6.029857  
1 1 1 3   19  22 o 79.411  4.5027  3435.26    385.686  3198.89    547.744  3667.69    543.169  76.341  6.6919  81.859  6.1717  -5.517502      9.103400  
1 1 1 3   19  23 o 120.829 4.4539  7933.79    582.888  8131.25    826.231  7738.15    822.440  121.959 6.2761  118.942 6.4077  3.016388       8.969323  
1 1 1 3   19  24 o 145.512 3.2997  11497.21   520.047  11841.62   733.408  11148.93   737.525  147.491 4.5910  143.085 4.7590  4.406219       6.612497  
1 1 1 3   19  25 o 135.258 3.1903  9942.64    467.370  9837.97    658.258  10049.04   663.697  134.305 4.5252  135.740 4.5143  -1.435394      6.391884  
1 1 1 3   19  26 o 117.307 3.0885  7486.22    392.409  7785.56    555.175  7187.37    554.726  119.378 4.2938  114.659 4.4669  4.718880       6.195894  
1 1 1 3   19  27 o 35.748  5.1385  716.577    193.236  518.805    275.279  908.701    271.319  29.874  8.2401  39.991  6.4861  -10.11683      10.48663  
1 1 1 3   19  28 o 24.869  6.7832  358.025    187.765  533.321    274.454  203.789    257.441  30.110  8.1959  21.519  8.1090  8.591173       11.52948  
1 1 1 3   19  29 o 43.262  1.4554  1015.59    68.195   813.192    297.756  1026.79    70.057   37.140  7.6565  43.498  1.4870  -6.358109      7.799528  
1 1 1 3   19  30 o 66.520  2.7387  2417.49    197.321  2433.94    364.762  2410.69    234.613  65.834  5.1567  66.304  3.2670  -0.4693756     6.104485  
1 1 1 3   19  31 o 89.926  2.6534  4423.79    258.445  4425.12    447.906  4423.12    316.435  88.900  4.6681  89.692  3.2573  -0.7921448     5.692207  
1 1 1 3   19  32 f 21.234  1.6169  246.753    36.907   351.703    286.378  244.980    37.217   24.516  8.6548  21.154  1.6371  3.361248       8.808308  
1 1 1 3   19  33 o 38.481  1.5262  807.057    63.609   692.628    88.079   931.788    91.959   35.432  2.3078  41.240  2.0588  -5.808125      3.092616  
1 1 1 3   19  34 o 24.581  9.0266  412.439    315.166  336.719    369.037  616.491    605.810  23.399  9.4412  28.024  11.777  -4.625338      15.09393  
1 1 1 3   19  35 o 32.191  1.3208  565.178    46.051   -71.2582   362.261  575.631    46.428   17.413  8.0706  32.488  1.3194  -15.07462      8.177715  
1 1 1 3   19  36 o 16.386  7.7210  -125.2816  354.859  -125.2816  354.859  0.0000     0.0000   16.386  7.7210  ?       ?       0.000000       7.721022  
1 1 1 3   20  0  o 343.882 6.7161  64140.58   2501.49  71491.09   4335.13  60471.51   3062.82  362.573 11.039  333.748 8.4729  28.82507       13.91597  
1 1 1 3   20  1  o 337.736 6.8475  61871.57   2504.84  63154.63   3067.44  59303.73   4339.49  341.092 8.3030  330.088 12.138  11.00354       14.70593  
1 1 1 3   20  2  f 322.045 8.1034  56289.36   2826.52  59384.97   3995.38  53187.78   3999.23  330.456 11.163  312.661 11.810  17.79498       16.25033  
1 1 1 3   20  3  o 299.044 5.2635  48471.91   1704.83  49714.41   2411.10  47229.63   2410.89  302.726 7.3535  295.051 7.5442  7.675507       10.53510  
1 1 1 3   20  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   20  5  o 455.046 10.817  112437.00  5331.15  114188.50  7539.98  110686.10  7538.80  457.983 15.200  450.867 15.438  7.115692       21.66497  
1 1 1 3   20  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   20  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   20  8  o 250.833 4.8602  34085.01   1320.40  33555.93   3504.32  34172.55   1425.46  248.261 13.079  251.148 5.2403  -2.886292      14.08931  
1 1 1 3   20  9  o 413.649 7.0192  92735.02   3144.80  87994.39   6289.90  94315.04   3631.24  402.432 14.430  417.108 8.0378  -14.67596      16.51802  
1 1 1 3   20  10 o 486.088 9.3365  128149.40  4915.49  136562.80  8516.13  123945.90  6019.43  501.112 15.691  477.854 11.630  23.25854       19.53089  
1 1 1 3   20  11 o 678.655 15.870  250622.70  11665.53 258976.00  16497.59 242269.50  16497.51 688.319 22.129  665.532 22.886  22.78644       31.83522  
1 1 1 3   20  12 o 672.195 11.052  245369.59  8046.78  246910.41  11379.63 243828.70  11380.09 673.388 15.602  669.149 15.702  4.238708       22.13563  
1 1 1 3   20  13 o 345.373 6.3532  64672.18   2376.58  65582.18   3122.47  63419.06   3664.13  347.654 8.2924  341.730 9.8996  5.923737       12.91380  
1 1 1 3   20  14 o 356.039 5.9535  68736.02   2295.82  70257.58   3246.82  67214.53   3246.74  359.741 8.3329  351.845 8.5197  7.896576       11.91738  
1 1 1 3   20  15 o 219.830 4.7476  26197.36   1130.40  26116.38   1383.52  26359.97   1960.56  219.434 5.8212  220.287 8.2171  -0.8535461     10.07014  
1 1 1 3   20  16 o 118.847 3.4033  7654.10    438.081  8076.77    765.894  7448.58    534.074  122.010 5.7957  117.220 4.2066  4.789200       7.161353  
1 1 1 3   20  17 o 160.702 3.5618  13997.08   619.956  14177.55   916.983  13845.15   841.386  161.657 5.2372  159.770 4.8621  1.886765       7.146212  
1 1 1 3   20  18 o 57.050  2.2303  1763.22    137.814  1856.98    248.421  1721.54    165.640  58.390  3.9513  56.366  2.7132  2.023983       4.793155  
1 1 1 3   20  19 o 154.931 3.4610  13012.45   580.773  12750.26   852.943  13239.08   793.002  153.269 5.1380  156.209 4.6870  -2.939606      6.954674  
1 1 1 3   20  20 o 147.045 3.4201  11722.62   544.710  11793.54   792.474  11659.09   749.956  147.399 4.9639  146.572 4.7240  0.8264465      6.852490  
1 1 1 3   20  21 o 121.760 4.4324  8046.64    584.533  8080.96    826.980  8012.37    826.329  121.721 6.2943  121.199 6.3167  0.5221863      8.917296  
1 1 1 3   20  22 o 153.851 5.0483  12863.31   841.228  11864.33   1284.62  13613.31   1113.09  147.138 8.0919  158.092 6.5005  -10.95326      10.37960  
1 1 1 3   20  23 o 148.281 3.8506  11938.91   618.423  10659.25   1081.27  12561.01   753.905  139.473 7.1821  152.012 4.5790  -12.53954      8.517581  
1 1 1 3   20  24 o 92.402  3.0284  4634.55    303.082  4630.31    427.031  4638.85    430.233  92.254  4.2737  92.336  4.3019  -0.8226013E-01 6.063938  
1 1 1 3   20  25 o 56.132  3.4655  1720.10    209.657  1619.91    294.799  1822.63    298.230  54.211  5.0800  57.576  4.8269  -3.365414      7.007512  
1 1 1 3   20  26 o 67.059  3.4630  2455.93    250.669  2040.69    355.819  2865.07    353.196  60.711  5.4700  72.237  4.5373  -11.52642      7.106865  
1 1 1 3   20  27 f 90.676  3.1224  4479.13    306.659  4280.88    439.187  4667.74    428.379  88.225  4.6121  92.327  4.2838  -4.101524      6.294641  
1 1 1 3   20  28 o 64.817  2.6283  2287.33    184.520  2474.15    354.648  2217.98    216.068  66.795  4.9371  63.757  3.1289  3.038406       5.845063  
1 1 1 3   20  29 o 36.348  1.1680  716.426    45.984   378.757    283.199  725.570    46.603   25.934  8.6234  36.579  1.1763  -10.64510      8.703260  
1 1 1 3   20  30 o 26.993  7.1116  433.250    210.821  335.237    283.801  553.928    314.911  24.674  8.6229  30.192  8.9730  -5.517679      12.44464  
1 1 1 3   20  31 o 37.162  1.0937  749.170    44.021   765.636    44.459   -74.8117   314.498  37.568  1.0926  17.810  7.9618  19.75820       8.036399  
1 1 1 3   20  32 o 95.026  3.3355  4992.50    343.299  4366.38    472.501  5692.57    499.629  87.634  4.9988  100.555 4.5875  -12.92117      6.784735  
1 1 1 3   20  33 o 38.775  2.2375  828.367    93.572   819.141    96.972   953.044    356.488  38.529  2.3348  37.383  8.9274  1.146095       9.227635  
1 1 1 3   20  34 o 21.024  8.9129  198.600    351.949  383.280    434.936  -151.7118  599.021  24.499  10.111  21.019  9.9429  3.479149       14.18086  
1 1 1 3   20  35 o 19.732  8.3817  183.556    312.229  346.883    362.633  -284.5313  613.906  22.794  9.2995  19.668  9.5038  3.126633       13.29679  
1 1 1 3   20  36 o 27.082  10.019  635.506    389.466  635.506    389.466  0.0000     0.0000   27.082  10.019  ?       ?       0.000000       10.01897  
1 1 1 3   21  0  o 248.766 4.4860  33536.26   1208.69  34658.77   1709.64  32414.52   1709.06  252.816 6.2435  244.483 6.4541  8.333099       8.979851  
1 1 1 3   21  1  o 153.165 3.3139  12709.17   549.750  13060.59   777.705  12358.18   777.224  155.242 4.6253  151.006 4.7520  4.235123       6.631364  
1 1 1 3   21  2  o 271.657 4.8242  39994.68   1419.44  40791.66   2007.52  39197.90   2007.27  274.253 6.7583  268.835 6.8937  5.418854       9.653883  
1 1 1 3   21  3  o 413.733 9.9222  92964.15   4446.29  93037.61   6285.92  92890.59   6290.08  413.307 14.042  412.977 14.062  0.3300781      19.87275  
1 1 1 3   21  4  o 462.825 9.0343  116239.30  4528.78  116474.40  5546.33  115768.90  7844.84  463.059 11.059  460.944 15.713  2.114868       19.21451  
1 1 1 3   21  5  o 504.460 9.7932  138084.00  5350.86  143202.50  6553.43  127846.80  9267.99  513.500 11.783  484.334 17.667  29.16574       21.23616  
1 1 1 3   21  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   21  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   21  9  o 350.850 6.9944  66715.16   2657.93  64856.75   4604.44  67643.89   3255.00  345.645 12.299  353.217 8.5082  -7.572205      14.95528  
1 1 1 3   21  10 o 410.534 8.0488  91375.02   3578.91  0.0000     0.0000   91375.02   3578.91  ?       ?       410.534 8.0488  0.000000       8.048803  
1 1 1 3   21  11 o 198.339 5.3743  21315.75   1154.51  21840.40   1639.58  20799.79   1625.96  200.710 7.5421  195.866 7.6644  4.843445       10.75298  
1 1 1 3   21  12 f 106.377 2.6464  6129.25    304.913  6618.72    431.169  5639.59    431.255  110.535 3.6014  102.030 3.9025  8.505707       5.310323  
1 1 1 3   21  13 o 603.353 9.9169  197717.59  6480.62  205146.59  9164.97  190288.50  9165.00  613.753 13.787  590.979 14.318  22.77362       19.87692  
1 1 1 3   21  14 o 345.304 5.8906  64654.60   2203.10  65928.74   3115.70  63380.55   3115.60  348.474 8.2550  341.656 8.4194  6.818024       11.79114  
1 1 1 3   21  15 o 237.077 5.0203  30474.20   1289.10  29201.75   1577.69  33030.11   2236.01  231.998 6.2787  246.561 8.3730  -14.56265      10.46559  
1 1 1 3   21  16 o 380.368 9.6075  78759.95   3958.08  84759.39   8177.64  76924.48   4523.21  391.526 19.284  375.579 11.119  15.94705       22.26007  
1 1 1 3   21  17 o 191.741 3.7469  19928.47   778.129  19658.80   1100.21  20198.37   1100.67  190.348 5.3365  192.948 5.2668  -2.599274      7.497837  
1 1 1 3   21  18 o 246.023 4.8757  32838.11   1299.21  32956.23   1721.03  32681.61   1980.99  246.297 6.4515  245.138 7.4611  1.159454       9.863544  
1 1 1 3   21  19 o 163.458 3.5461  14484.98   627.801  15081.87   856.079  13790.49   923.431  166.721 4.7408  159.382 5.3493  7.339249       7.147748  
1 1 1 3   21  20 o 266.986 5.9175  38733.38   1711.19  39938.45   1912.07  33885.32   3835.13  271.011 6.5140  247.288 14.381  23.72255       15.78740  
1 1 1 3   21  21 o 295.377 8.5134  47645.41   2723.66  48857.23   3309.48  45101.89   4794.67  298.558 10.234  284.200 15.636  14.35733       18.68796  
1 1 1 3   21  22 o 342.890 8.4779  64315.39   3148.56  66164.04   4452.79  62466.84   4452.67  346.120 11.878  336.113 12.231  10.00674       17.04938  
1 1 1 3   21  23 o 37.854  4.8249  791.778    193.319  535.963    274.403  1043.87    272.398  30.727  8.1221  43.365  5.9569  -12.63838      10.07239  
1 1 1 3   21  24 o 87.108  3.0594  4119.28    288.643  3741.02    408.386  4496.86    408.019  82.764  4.5735  90.920  4.1433  -8.156776      6.171234  
1 1 1 3   21  25 o 91.645  3.0126  4563.66    299.037  4662.90    423.614  4465.09    422.195  92.486  4.2289  90.492  4.3076  1.994164       6.036449  
1 1 1 3   21  26 o 105.995 3.1055  6113.41    356.528  6674.06    502.661  5545.80    505.768  110.531 4.1987  100.660 4.6390  9.871185       6.256974  
1 1 1 3   21  27 o 30.240  6.0412  523.363    190.946  375.088    277.439  656.809    263.200  26.086  8.5286  33.639  7.4229  -7.552084      11.30653  
1 1 1 3   21  28 o 60.277  2.5441  1977.51    166.096  2046.84    361.612  1958.97    186.987  60.512  5.5802  59.951  2.8797  0.5606842      6.279466  
1 1 1 3   21  29 o 58.539  3.8949  1891.01    245.546  1680.70    333.907  2138.66    362.341  54.576  5.7346  61.731  5.4762  -7.154881      7.929307  
1 1 1 3   21  30 o 44.459  4.8144  1111.97    228.129  964.892    308.542  1289.34    338.826  40.412  7.3186  47.077  6.8455  -6.665653      10.02113  
1 1 1 3   21  31 o 42.748  2.2459  999.575    103.623  1021.65    108.826  785.136    339.206  43.201  2.3344  35.460  8.8578  7.741417       9.160242  
1 1 1 3   21  32 o 26.344  1.3054  377.080    37.249   -71.7180   280.368  385.144    37.582   16.598  7.4615  26.625  1.3032  -10.02674      7.574431  
1 1 1 3   21  33 o 20.089  7.4643  228.437    216.638  77.203     287.369  427.536    329.724  18.413  7.9353  25.404  9.2473  -6.991201      12.18531  
1 1 1 3   21  34 o 42.820  2.0295  1006.97    94.124   739.929    393.895  1023.15    96.932   30.943  10.164  43.149  2.0741  -12.20619      10.37383  
1 1 1 3   21  35 f 17.853  7.9206  64.112     305.186  18.773     352.720  199.146    608.714  18.151  8.2437  22.775  10.522  -4.623669      13.36703  
1 1 1 3   21  36 o 14.446  7.0013  -325.2902  339.358  -325.2902  339.358  0.0000     0.0000   14.446  7.0013  ?       ?       0.000000       7.001331  
1 1 1 3   22  0  o 247.519 4.3901  33198.44   1176.93  33456.78   1664.60  32940.21   1664.26  248.406 6.1870  246.479 6.2341  1.927399       8.783059  
1 1 1 3   22  1  o 464.636 11.053  117349.50  5562.31  118121.70  7866.59  116577.30  7866.00  465.304 15.609  462.230 15.712  3.074402       22.14739  
1 1 1 3   22  2  o 262.278 4.7211  37277.20   1341.16  35984.88   1896.61  38569.69   1896.75  257.603 6.7976  266.706 6.5661  -9.103302      9.450986  
1 1 1 3   22  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   22  4  o 447.904 7.6492  108785.70  3710.84  111530.10  5248.18  106041.80  5247.67  453.240 10.691  441.918 10.964  11.32135       15.31320  
1 1 1 3   22  5  o 416.686 7.9431  94137.27   3584.83  97451.16   4391.25  87516.30   6206.98  423.846 9.5656  401.246 14.282  22.59979       17.18968  
1 1 1 3   22  6  o 399.280 6.7424  86398.74   2915.83  81116.35   5833.59  88157.99   3366.54  386.427 13.938  403.280 7.7074  -16.85297      15.92700  
1 1 1 3   22  7  o 503.075 8.3827  137201.91  4567.57  133256.59  9136.74  138516.41  5273.87  494.979 17.043  505.395 9.6345  -10.41519      19.57731  
1 1 1 3   22  8  o 570.205 10.082  176350.20  6226.61  167269.00  11509.77 180107.70  7403.54  554.205 19.175  576.075 11.866  -21.87000      22.54900  
1 1 1 3   22  9  o 714.751 13.625  277501.19  10548.00 267874.59  18270.18 282314.09  12918.43 699.996 24.098  720.404 16.556  -20.40802      29.23722  
1 1 1 3   22  10 o 553.947 11.809  166592.30  7085.28  0.0000     0.0000   166592.30  7085.28  ?       ?       553.947 11.809  0.000000       11.80915  
1 1 1 3   22  11 o 564.914 12.025  173327.00  7357.45  168488.20  17720.15 174335.00  8087.51  552.130 29.741  566.388 13.184  -14.25763      32.53230  
1 1 1 3   22  12 f 408.198 6.8448  90339.96   3026.21  96889.45   6054.19  88158.48   3494.03  422.072 13.243  403.155 8.0017  18.91782       15.47304  
1 1 1 3   22  13 o 543.243 10.405  160352.09  6122.36  169711.00  10605.39 155674.09  7497.93  557.159 17.574  534.774 12.945  22.38501       21.82719  
1 1 1 3   22  14 o 192.349 3.8678  20047.93   805.796  20624.30   1080.39  19325.36   1209.68  195.052 5.1140  188.778 5.9163  6.274323       7.820170  
1 1 1 3   22  15 o 333.592 7.2793  60420.62   2630.12  61316.04   2914.56  56493.14   6104.03  335.964 8.0096  320.100 17.674  15.86356       19.40465  
1 1 1 3   22  16 o 191.414 4.3353  19863.53   898.804  21286.37   1558.76  19154.82   1100.11  197.957 7.2701  187.912 5.4052  10.04526       9.059239  
1 1 1 3   22  17 o 405.953 7.4700  89583.86   3284.49  86151.15   5079.07  92051.14   4306.01  396.979 11.813  410.981 9.6735  -14.00272      15.26810  
1 1 1 3   22  18 o 442.020 7.4734  106266.80  3577.91  104748.10  5059.35  107786.20  5060.50  437.872 10.668  444.231 10.518  -6.358917      14.98071  
1 1 1 3   22  19 o 192.747 4.0789  20148.35   851.523  20742.43   1142.93  19407.18   1276.60  195.462 5.3987  188.986 6.2367  6.475525       8.248774  
1 1 1 3   22  20 o 79.100  3.3939  3392.21    290.763  3174.46    528.428  3486.77    348.217  76.134  6.4695  80.076  4.0278  -3.941055      7.620832  
1 1 1 3   22  21 o 191.425 6.9965  19958.23   1450.61  20172.64   2051.48  19743.82   2051.48  191.652 9.9168  189.569 10.027  2.082779       14.10269  
1 1 1 3   22  22 o 143.809 3.3109  11217.53   515.712  11522.45   729.742  10913.30   728.913  145.641 4.6261  141.727 4.7485  3.913742       6.629390  
1 1 1 3   22  23 o 142.065 3.3236  10952.82   511.405  10585.40   741.149  11286.74   706.560  139.489 4.9056  144.085 4.5275  -4.595642      6.675620  
1 1 1 3   22  24 o 132.112 3.1863  9477.96    455.933  9779.67    645.011  9176.66    644.563  134.025 4.4433  129.805 4.5846  4.219925       6.384511  
1 1 1 3   22  25 o 93.029  3.0064  4702.95    302.922  4943.38    429.216  4464.33    427.583  95.228  4.1614  90.467  4.3637  4.761208       6.029885  
1 1 1 3   22  26 o 89.562  3.1815  4366.23    308.615  4425.58    433.262  4305.11    439.706  89.950  4.4471  88.571  4.5994  1.378380       6.397745  
1 1 1 3   22  27 o 64.387  2.2031  2252.01    153.639  2637.48    370.769  2172.10    168.814  69.075  4.9893  63.210  2.4658  5.864765       5.565393  
1 1 1 3   22  28 o 66.436  3.4341  2418.70    246.267  2401.47    354.783  2434.73    342.110  65.763  5.0188  66.290  4.7972  -0.5268250     6.942780  
1 1 1 3   22  29 o 22.924  7.4962  293.493    214.331  326.570    301.859  259.861    304.377  24.897  8.8754  23.492  8.8241  1.405308       12.51548  
1 1 1 3   22  30 o 76.718  2.5944  3213.52    215.573  2464.15    380.657  3567.32    261.559  66.111  5.3623  80.722  2.9916  -14.61144      6.140346  
1 1 1 3   22  31 o 52.162  2.4242  1486.20    136.962  1490.80    148.286  1459.51    357.346  52.138  2.6344  49.894  6.7888  2.243919       7.282039  
1 1 1 3   22  32 o 43.183  5.0578  1072.99    232.080  1295.40    314.554  807.276    343.817  46.737  6.3807  35.258  8.9790  11.47844       11.01519  
1 1 1 3   22  33 o 43.514  5.1533  1116.77    238.157  1152.17    320.565  1073.17    355.794  42.660  7.1938  40.042  8.4683  2.617443       11.11136  
1 1 1 3   22  34 o 33.265  9.0006  795.555    332.159  937.461    392.256  435.936    624.442  35.250  9.8780  25.961  11.433  9.288630       15.10917  
1 1 1 3   22  35 o 23.508  10.809  279.506    631.431  0.0000     0.0000   279.506    631.431  ?       ?       23.508  10.809  0.000000       10.80911  
1 1 1 3   22  36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   23  0  o 216.981 4.0601  25508.59   954.182  25549.40   1349.61  25467.79   1349.23  217.104 5.7394  216.756 5.7470  0.3472748      8.122164  
1 1 1 3   23  1  o 270.305 4.8321  39594.02   1414.68  40123.98   2000.88  39064.29   2000.45  272.022 6.7912  268.401 6.8813  3.620728       9.668164  
1 1 1 3   23  2  o 470.161 11.178  120094.80  5692.28  117672.10  8050.27  122517.20  8049.93  464.617 15.997  474.148 15.675  -9.530426      22.39682  
1 1 1 3   23  3  o 332.892 5.8542  60060.13   2110.78  57349.61   2984.89  62771.43   2985.31  325.154 8.4756  340.201 8.1018  -15.04700      11.72497  
1 1 1 3   23  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   23  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   23  6  o 730.640 24.209  291657.00  19157.82 291657.00  19157.82 0.0000     0.0000   730.640 24.209  ?       ?       0.000000       24.20877  
1 1 1 3   23  7  o 448.955 7.5349  109247.60  3663.98  109169.20  7329.97  109273.70  4230.41  448.227 15.099  448.946 8.7000  -0.7195435     17.42570  
1 1 1 3   23  8  o 587.191 9.7261  186997.80  6185.72  186027.70  12372.98 187321.00  7142.36  584.365 19.549  587.556 11.223  -3.190247      22.54148  
1 1 1 3   23  9  o 564.009 9.3303  172519.80  5699.67  179662.30  11401.12 170140.00  6581.08  574.382 18.326  559.963 10.851  14.41949       21.29785  
1 1 1 3   23  10 o 175.307 4.0381  16648.15   766.744  0.0000     0.0000   16648.15   766.744  ?       ?       175.307 4.0381  0.000000       4.038147  
1 1 1 3   23  11 o 498.676 9.6292  134931.70  5200.89  138115.91  9009.97  133340.59  6369.14  503.583 16.519  495.479 11.868  8.104431       20.34035  
1 1 1 3   23  12 o 281.748 4.9083  43016.10   1497.83  46610.77   2998.45  41820.84   1729.01  293.038 9.4472  277.774 5.7469  15.26434       11.05785  
1 1 1 3   23  13 o 165.598 3.3635  14856.24   603.281  17181.64   1213.18  14092.31   695.348  178.007 6.2924  161.273 3.9808  16.73422       7.445910  
1 1 1 3   23  14 o 459.506 8.8056  114702.70  4382.48  121899.00  7592.15  111106.60  5366.90  472.354 14.840  451.860 10.966  20.49451       18.45189  
1 1 1 3   23  15 o 142.997 3.8147  11081.84   590.825  11027.46   693.534  11225.75   1128.18  142.626 4.4895  143.602 7.2773  -0.9756470     8.550698  
1 1 1 3   23  16 o 135.171 3.5990  9902.41    526.909  10436.08   916.041  9638.54    644.135  138.667 6.0992  133.331 4.4604  5.336136       7.556130  
1 1 1 3   23  17 o 167.214 3.4688  15154.71   628.228  15406.08   887.115  14901.82   889.789  168.528 4.8600  165.742 4.9566  2.786423       6.941743  
1 1 1 3   23  18 o 256.418 5.0787  35678.80   1410.49  35837.99   2154.70  35559.43   1865.82  256.646 7.7514  255.793 6.7346  0.8527832      10.26837  
1 1 1 3   23  19 o 285.539 8.6639  44444.70   2679.49  42363.73   3255.49  48815.09   4717.85  278.271 10.801  297.449 14.644  -19.17834      18.19667  
1 1 1 3   23  20 o 161.975 5.9034  14257.52   1035.67  13871.82   1464.66  14643.22   1464.67  159.248 8.5225  163.670 8.2893  -4.422638      11.88891  
1 1 1 3   23  21 o 255.937 5.8339  35616.81   1617.18  36829.27   2559.68  34811.32   2086.32  259.508 9.1068  252.667 7.6236  6.841171       11.87657  
1 1 1 3   23  22 o 343.224 5.9731  64132.25   2220.48  63943.75   3139.79  64320.86   3140.66  341.811 8.4809  342.827 8.4582  -1.016083      11.97776  
1 1 1 3   23  23 o 136.369 3.2650  10092.07   482.243  9827.12    694.646  10338.57   670.011  134.407 4.7717  137.896 4.4860  -3.489014      6.549311  
1 1 1 3   23  24 o 122.488 3.1483  8147.55    417.680  7876.08    587.890  8424.24    593.527  120.255 4.5136  124.386 4.4055  -4.131035      6.307262  
1 1 1 3   23  25 o 100.602 3.0499  5500.91    332.325  5524.58    479.541  5479.04    460.967  100.621 4.4001  100.232 4.2461  0.3895645      6.114796  
1 1 1 3   23  26 o 53.912  3.9105  1594.58    226.789  1818.62    318.030  1362.78    323.496  57.330  5.1776  49.314  6.1932  8.015480       8.072394  
1 1 1 3   23  27 o 33.481  1.5747  608.044    57.105   577.590    278.637  609.379    58.343   31.415  8.1273  33.517  1.6072  -2.101427      8.284665  
1 1 1 3   23  28 o 26.777  6.7917  417.684    197.271  322.617    303.663  487.100    259.483  25.011  8.9033  28.808  8.0205  -3.797621      11.98322  
1 1 1 3   23  29 o 16.862  6.8633  74.288     196.943  53.993     261.509  100.880    299.348  18.460  7.7464  20.324  8.3884  -1.864643      11.41801  
1 1 1 3   23  30 o 72.927  3.6325  2927.37    286.922  2516.42    402.593  3351.54    409.022  66.659  5.6288  77.380  4.9057  -10.72073      7.466564  
1 1 1 3   23  31 o 49.029  4.5221  1351.55    237.435  1225.21    321.813  1502.48    351.747  45.681  6.7037  50.743  6.5531  -5.062283      9.374599  
1 1 1 3   23  32 f 26.000  7.3276  419.331    215.212  337.840    289.329  520.263    321.996  24.045  8.6761  28.403  9.1816  -4.357283      12.63234  
1 1 1 3   23  33 f 22.473  1.9230  278.460    46.356   266.066    286.725  278.792    46.974   21.719  8.4612  22.481  1.9484  -0.7622509     8.682604  
1 1 1 3   23  34 o 22.278  10.336  46.296     596.441  0.0000     0.0000   46.296     596.441  ?       ?       22.278  10.336  0.000000       10.33590  
1 1 1 3   23  35 o 26.708  11.702  643.899    646.869  0.0000     0.0000   643.899    646.869  ?       ?       26.708  11.702  0.000000       11.70188  
1 1 1 3   23  36 o 24.630  11.431  502.120    730.237  0.0000     0.0000   502.120    730.237  ?       ?       24.630  11.431  0.000000       11.43066  
1 1 1 3   24  0  o 412.406 14.021  92559.38   6263.04  92559.38   6263.04  0.0000     0.0000   412.406 14.021  ?       ?       0.000000       14.02137  
1 1 1 3   24  1  o 338.347 5.9024  62048.38   2163.03  62298.37   3059.14  61798.44   3058.83  338.886 8.3344  337.521 8.3673  1.364716       11.80991  
1 1 1 3   24  2  o 570.151 13.409  176756.59  8280.78  178496.91  11711.18 175016.59  11710.41 571.811 18.909  566.164 19.097  5.647156       26.87476  
1 1 1 3   24  3  o 384.260 6.5385  80031.98   2721.28  77895.23   3848.27  82169.18   3848.67  378.923 9.3766  389.198 9.1300  -10.27438      13.08728  
1 1 1 3   24  4  o 170.042 3.4691  15661.81   638.919  15870.17   903.751  15453.62   903.385  171.151 4.8753  168.889 4.9386  2.261978       6.939576  
1 1 1 3   24  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   24  6  o 752.545 24.919  309503.59  20310.79 309503.59  20310.79 0.0000     0.0000   752.545 24.919  ?       ?       0.000000       24.91863  
1 1 1 3   24  7  o 468.101 7.8657  118773.80  3987.91  116893.50  7978.28  119400.00  4604.37  463.722 15.885  469.263 9.0591  -5.540253      18.28642  
1 1 1 3   24  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   24  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   24  10 o 799.002 18.650  347983.41  16140.16 0.0000     0.0000   347983.41  16140.16 ?       ?       799.002 18.650  0.000000       18.65047  
1 1 1 3   24  11 o 377.418 6.4267  77210.42   2627.15  77908.45   5256.10  76977.96   3033.22  378.616 12.817  376.793 7.4324  1.822906       14.81629  
1 1 1 3   24  12 o 428.907 7.2088  99764.58   3348.84  110868.50  6699.74  96066.32   3866.51  451.317 13.706  420.768 8.4841  30.54941       16.11925  
1 1 1 3   24  13 f 546.400 9.0081  162120.70  5331.10  169039.41  10661.66 159814.20  6155.92  555.788 17.711  542.240 10.482  13.54773       20.58031  
1 1 1 3   24  14 o 445.446 7.4516  107705.70  3595.14  124961.80  7191.92  101957.20  4150.99  478.436 13.879  433.190 8.8472  45.24646       16.45881  
1 1 1 3   24  15 o 427.616 10.270  99565.31   4756.36  100902.10  6726.25  98228.30   6726.77  429.335 14.465  423.546 14.663  5.789368       20.59712  
1 1 1 3   24  16 o 246.675 5.1738  33005.60   1382.30  34210.21   2395.32  32404.13   1692.58  250.754 8.8196  244.314 6.3963  6.439896       10.89485  
1 1 1 3   24  17 o 280.447 5.0118  42668.59   1522.34  42360.80   2151.81  42977.00   2154.03  279.185 7.1161  281.214 7.0720  -2.029388      10.03257  
1 1 1 3   24  18 o 321.731 6.4785  56242.92   2257.56  55808.59   2765.19  57111.11   3909.49  320.213 7.9729  323.150 11.170  -2.936554      13.72338  
1 1 1 3   24  19 o 353.519 10.410  68330.65   3985.87  66423.33   4796.60  72586.45   7164.92  347.729 12.736  360.299 18.422  -12.57028      22.39554  
1 1 1 3   24  20 o 209.142 6.2304  23781.24   1411.33  25188.74   1767.30  21303.54   2344.82  215.038 7.5879  196.822 11.044  18.21579       13.39946  
1 1 1 3   24  21 o 159.730 3.5312  13837.66   610.912  13538.58   831.751  14188.00   900.225  157.888 4.8638  161.604 5.1432  -3.715347      7.078722  
1 1 1 3   24  22 o 65.790  3.3615  2354.15    238.732  2367.65    337.342  2340.61    337.896  65.838  4.7629  65.454  4.7997  0.3835068      6.761788  
1 1 1 3   24  23 o 157.032 3.4214  13385.98   581.910  13132.39   822.451  13640.19   823.441  155.344 4.8881  158.333 4.8017  -2.988388      6.851995  
1 1 1 3   24  24 o 100.826 2.8797  5518.51    314.476  6042.89    464.492  5074.73    427.304  105.382 4.0695  96.570  4.0853  8.811905       5.766312  
1 1 1 3   24  25 o 133.566 3.2006  9701.37    463.019  10744.20   662.370  8704.83    647.500  140.314 4.3584  126.210 4.7367  14.10404       6.436783  
1 1 1 3   24  26 o 37.147  2.2528  752.038    90.213   794.342    289.705  747.496    94.933   37.139  7.4611  37.021  2.3802  0.1177063      7.831560  
1 1 1 3   24  27 o 119.008 3.2392  7722.80    417.522  7255.00    594.479  8178.17    586.531  114.886 4.7775  122.101 4.4351  -7.215263      6.518765  
1 1 1 3   24  28 o 62.507  3.5249  2143.82    237.668  2374.49    343.025  1930.84    329.604  65.417  4.8764  58.846  5.2257  6.571171       7.147532  
1 1 1 3   24  29 o 31.028  6.4423  561.412    209.423  596.991    280.181  516.369    315.247  31.573  8.1409  29.465  9.0268  2.107618       12.15554  
1 1 1 3   24  30 o 35.911  5.8032  744.028    218.023  644.454    292.622  868.280    326.877  32.511  8.2858  37.844  8.2107  -5.333523      11.66496  
1 1 1 3   24  31 o 26.303  1.0885  375.350    31.010   181.703    280.627  377.744    31.201   21.021  8.3157  26.387  1.0917  -5.365639      8.387064  
1 1 1 3   24  32 o 60.368  2.2889  1995.47    149.656  2081.54    218.704  1919.68    205.230  61.207  3.3114  58.806  3.2346  2.400410       4.629020  
1 1 1 3   24  33 o 38.790  2.8613  839.111    119.362  0.0000     0.0000   839.111    119.362  ?       ?       38.790  2.8613  0.000000       2.861265  
1 1 1 3   24  34 o 27.039  11.587  557.762    606.196  0.0000     0.0000   557.762    606.196  ?       ?       27.039  11.587  0.000000       11.58650  
1 1 1 3   24  35 o 22.948  9.9666  331.668    460.430  0.0000     0.0000   331.668    460.430  ?       ?       22.948  9.9666  0.000000       9.966630  
1 1 1 3   24  36 f 29.213  12.640  1063.19    735.015  0.0000     0.0000   1063.19    735.015  ?       ?       29.213  12.640  0.000000       12.64000  
1 1 1 3   25  0  o 583.643 19.483  186007.00  12316.01 0.0000     0.0000   186007.00  12316.01 ?       ?       583.643 19.483  0.000000       19.48284  
1 1 1 3   25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   25  2  o 568.468 13.331  175620.50  8208.21  182509.70  11608.77 168732.80  11607.56 578.569 18.525  556.150 19.270  22.41882       26.73027  
1 1 1 3   25  3  o 298.173 5.1604  48170.95   1666.56  49566.44   2357.00  46775.78   2356.73  302.394 7.1964  293.750 7.4074  8.644012       10.32752  
1 1 1 3   25  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   25  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   25  6  o 386.265 6.5677  80850.66   2747.68  82354.47   3886.38  79347.73   3885.23  389.722 9.2071  382.533 9.3773  7.189301       13.14168  
1 1 1 3   25  7  o 489.956 8.1885  130135.50  4345.40  127620.00  8692.92  130973.50  5017.23  484.438 16.568  491.450 9.4257  -7.012207      19.06113  
1 1 1 3   25  8  o 636.763 12.213  220107.70  8423.22  218825.00  14591.54 220748.80  10315.55 633.366 21.270  637.310 14.944  -3.944092      25.99535  
1 1 1 3   25  9  o 595.117 11.281  192222.09  7271.37  0.0000     0.0000   192222.09  7271.37  ?       ?       595.117 11.281  0.000000       11.28089  
1 1 1 3   25  10 o 646.427 12.317  226960.30  8623.54  234167.20  14938.21 223358.20  10561.00 654.773 21.064  640.785 15.217  13.98822       25.98529  
1 1 1 3   25  11 o 526.052 9.4169  150167.30  5365.46  163956.20  9924.98  144473.50  6377.74  548.486 16.707  515.738 11.417  32.74786       20.23549  
1 1 1 3   25  12 o 248.808 4.5160  33544.38   1216.99  34556.49   2437.54  33208.31   1404.58  252.322 8.9192  247.534 5.2389  4.788162       10.34401  
1 1 1 3   25  13 o 85.511  2.5063  3960.74    232.130  4337.58    515.154  3864.73    260.025  89.291  5.3514  84.465  2.8423  4.826157       6.059338  
1 1 1 3   25  14 o 597.356 9.9010  194071.20  6405.95  196119.00  12811.81 193388.59  7396.97  596.686 19.824  595.873 11.461  0.8128662      22.89882  
1 1 1 3   25  15 o 158.628 3.9419  13638.32   677.261  13246.70   1165.25  13838.10   832.273  156.202 6.8875  159.754 4.8100  -3.551666      8.400805  
1 1 1 3   25  16 o 232.227 5.0025  29250.22   1258.26  30653.13   2178.19  28547.64   1541.46  237.391 8.4715  229.326 6.2059  8.065353       10.50144  
1 1 1 3   25  17 o 126.808 3.6998  8716.78    508.147  9283.38    914.992  8464.10    611.038  130.734 6.4619  124.927 4.5159  5.807304       7.883469  
1 1 1 3   25  18 f 156.770 4.7824  13334.05   812.035  12726.62   1147.07  13944.29   1149.72  153.004 6.9218  160.182 6.6269  -7.178040      9.582590  
1 1 1 3   25  19 o 299.575 8.5685  48922.03   2780.24  50425.58   3374.82  45746.39   4904.64  303.713 10.259  287.021 15.838  16.69250       18.87073  
1 1 1 3   25  20 o 91.880  2.8038  4575.50    279.021  4457.48    423.698  4665.87    370.769  90.637  4.3160  92.755  3.6906  -2.118484      5.678747  
1 1 1 3   25  21 o 274.749 5.3204  41021.75   1583.26  41738.41   2090.63  40057.98   2424.40  276.796 6.9734  270.843 8.2645  5.953033       10.81347  
1 1 1 3   25  22 o 69.756  2.5793  2637.86    194.876  2721.76    235.921  2457.66    345.748  70.841  3.0748  67.077  4.7905  3.764153       5.692383  
1 1 1 3   25  23 o 122.579 3.1246  8154.05    414.836  7989.58    586.387  8318.84    586.947  121.206 4.4667  123.688 4.3813  -2.482246      6.256772  
1 1 1 3   25  24 o 130.853 3.1793  9300.74    450.598  9643.85    646.148  8975.92    628.694  133.047 4.4839  128.350 4.5224  4.696686       6.368507  
1 1 1 3   25  25 o 146.785 3.3528  11723.31   533.036  12294.89   760.498  11171.35   747.329  149.987 4.6814  142.929 4.8275  7.058548       6.724586  
1 1 1 3   25  26 o 115.945 3.1018  7317.91    389.521  7028.99    562.375  7584.33    540.036  113.288 4.5832  117.775 4.2335  -4.486923      6.239251  
1 1 1 3   25  27 o 157.503 3.4762  13543.44   593.012  13515.83   836.851  13571.28   840.453  156.705 4.9306  157.020 4.9418  -0.3153534     6.980841  
1 1 1 3   25  28 o 25.253  1.5017  347.229    40.890   418.837    269.295  345.539    41.369   26.965  8.3568  25.190  1.5235  1.774836       8.494486  
1 1 1 3   25  29 o 31.043  2.1792  526.971    72.804   1055.45    467.185  513.817    73.705   41.119  10.464  30.643  2.2362  10.47602       10.70029  
1 1 1 3   25  30 o 15.734  7.0479  -79.5549   247.738  -456.4962  439.229  96.308     300.014  17.635  8.3918  20.060  8.3480  -2.425081      11.83690  
1 1 1 3   25  31 o 26.858  8.3021  439.102    265.980  256.929    472.287  523.717    321.877  25.584  10.545  29.050  9.1578  -3.466667      13.96661  
1 1 1 3   25  32 o 29.834  1.9434  488.006    62.453   483.818    63.588   602.217    332.045  29.696  1.9885  30.136  9.2695  -0.4399700     9.480396  
1 1 1 3   25  33 o 34.161  8.2618  785.781    302.339  0.0000     0.0000   785.781    302.339  ?       ?       34.161  8.2618  0.000000       8.261802  
1 1 1 3   25  34 o 37.443  11.281  1166.72    495.228  0.0000     0.0000   1166.72    495.228  ?       ?       37.443  11.281  0.000000       11.28075  
1 1 1 3   25  35 o 37.965  11.115  1259.22    486.300  0.0000     0.0000   1259.22    486.300  ?       ?       37.965  11.115  0.000000       11.11532  
1 1 1 3   25  36 f 27.719  12.236  888.486    719.591  0.0000     0.0000   888.486    719.591  ?       ?       27.719  12.236  0.000000       12.23650  
1 1 1 3   26  0  o 341.156 6.7570  63085.05   2496.76  62983.27   4323.41  63135.97   3058.29  340.583 11.720  341.220 8.2751  -0.6368408     14.34713  
1 1 1 3   26  1  o 328.499 5.6118  58474.05   1996.67  60111.71   2824.09  56837.23   2823.36  332.975 7.8306  323.769 8.0512  9.206665       11.23123  
1 1 1 3   26  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   26  3  o 349.018 6.1597  66009.08   2328.49  64188.50   3292.88  67829.89   3293.10  344.060 8.8363  353.696 8.5961  -9.636505      12.32779  
1 1 1 3   26  4  o 402.382 6.7664  87743.91   2948.95  88927.03   4170.61  86560.98   4170.27  404.949 9.5089  399.518 9.6374  5.430908       13.53874  
1 1 1 3   26  5  o 642.053 14.886  223965.30  10351.83 223965.30  10351.83 0.0000     0.0000   642.053 14.886  ?       ?       0.000000       14.88594  
1 1 1 3   26  6  o 640.519 12.287  222673.41  8523.82  220708.50  10439.36 226603.50  14764.10 637.323 15.123  644.746 21.142  -7.423157      25.99424  
1 1 1 3   26  7  o 836.506 27.704  383430.91  25100.33 0.0000     0.0000   383430.91  25100.33 ?       ?       836.506 27.704  0.000000       27.70384  
1 1 1 3   26  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   26  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   26  10 o 479.822 9.2553  124894.60  4809.93  129458.50  8333.14  122614.40  5890.20  487.715 15.775  475.206 11.444  12.50885       19.48895  
1 1 1 3   26  11 o 884.769 18.603  427469.19  17827.33 433551.09  27646.97 423140.59  23324.01 885.935 28.812  877.599 24.538  8.335510       37.84504  
1 1 1 3   26  12 o 224.325 4.5172  27268.32   1097.54  29783.02   2839.65  26826.69   1190.02  234.075 11.201  222.488 4.9383  11.58742       12.24087  
1 1 1 3   26  13 o 215.739 4.6800  25225.79   1093.57  26057.73   2619.11  25050.13   1203.49  218.585 11.099  214.967 5.1689  3.617767       12.24375  
1 1 1 3   26  14 o 156.796 3.3253  13320.71   564.719  14798.94   1131.08  12829.86   651.767  165.158 6.3230  153.865 3.9110  11.29335       7.434753  
1 1 1 3   26  15 o 55.527  3.7352  1678.53    223.334  1749.29    376.586  1640.14    277.377  56.429  6.2675  54.797  4.7195  1.631470       7.845747  
1 1 1 3   26  16 o 240.484 4.4489  31358.39   1158.80  34058.12   2316.12  30456.95   1338.35  250.203 8.5467  236.947 5.2149  13.25616       10.01206  
1 1 1 3   26  17 f 259.962 6.6760  36716.23   1879.74  37979.97   2658.20  35452.19   2658.52  264.000 9.2964  255.006 9.6254  8.993668       13.38176  
1 1 1 3   26  18 o 238.039 7.0028  30807.88   1805.48  28895.88   3083.03  31805.86   2227.37  229.224 12.465  241.635 8.5107  -12.41090      15.09307  
1 1 1 3   26  19 o 176.344 3.7544  16862.16   717.080  15911.01   1355.40  17231.87   845.028  170.993 7.3184  178.225 4.3776  -7.232651      8.527749  
1 1 1 3   26  20 o 89.139  3.1237  4307.46    301.581  4259.52    581.796  4325.08    352.660  88.302  6.1209  89.304  3.6460  -1.001518      7.124525  
1 1 1 3   26  21 o 145.574 3.9251  11498.63   618.881  11191.81   1033.39  11670.22   772.795  143.360 6.6553  146.580 4.8676  -3.220245      8.245395  
1 1 1 3   26  22 o ?       ?       -310.6567  26.341   -315.2042  26.513   36.066     231.505  ?       ?       17.603  7.3299  0.000000       7.329921  
1 1 1 3   26  23 o 22.796  7.9627  254.505    241.993  0.0000     0.0000   254.505    241.993  ?       ?       22.796  7.9627  0.000000       7.962710  
1 1 1 3   26  24 o 65.439  2.7242  2324.44    193.085  2315.56    240.268  2340.63    324.438  65.183  3.4151  65.367  4.6121  -0.1839676     5.738875  
1 1 1 3   26  25 o 142.523 3.8573  11071.29   595.440  11377.67   1039.15  10921.52   726.545  143.565 6.6828  141.324 4.7466  2.241776       8.196906  
1 1 1 3   26  26 o 73.362  3.9589  2947.92    313.399  2719.85    561.700  3051.01    377.646  69.408  7.5958  74.466  4.7065  -5.057602      8.935704  
1 1 1 3   26  27 o 104.502 3.7016  5970.08    418.970  4936.10    738.728  6460.38    508.696  93.485  7.3552  108.522 4.3278  -15.03761      8.533990  
1 1 1 3   26  28 o 30.782  6.7651  551.996    219.396  1256.53    452.149  335.032    250.914  45.785  9.4317  24.578  8.1143  21.20665       12.44182  
1 1 1 3   26  29 o 29.198  7.9811  509.263    259.615  918.088    452.899  309.181    316.838  38.287  10.573  24.662  9.0514  13.62547       13.91812  
1 1 1 3   26  30 o 84.396  3.5717  3921.70    326.490  3412.43    635.091  4104.64    380.640  76.093  7.8169  86.127  4.0804  -10.03340      8.817830  
1 1 1 3   26  31 o 79.350  3.7294  3484.93    320.520  3592.87    622.195  3445.94    373.957  77.819  7.4739  78.452  4.4190  -0.6328735     8.682511  
1 1 1 3   26  32 o 30.826  7.7569  604.886    258.774  816.784    487.307  521.664    305.392  33.591  11.313  28.229  8.9225  5.362013       14.40836  
1 1 1 3   26  33 o 40.852  7.3076  1067.48    311.472  0.0000     0.0000   1067.48    311.472  ?       ?       40.852  7.3076  0.000000       7.307604  
1 1 1 3   26  34 o 44.192  9.6382  1432.75    448.340  0.0000     0.0000   1432.75    448.340  ?       ?       44.192  9.6382  0.000000       9.638229  
1 1 1 3   26  35 o 26.545  10.943  617.418    508.728  0.0000     0.0000   617.418    508.728  ?       ?       26.545  10.943  0.000000       10.94326  
1 1 1 3   26  36 o 25.928  11.723  667.687    703.692  0.0000     0.0000   667.687    703.692  ?       ?       25.928  11.723  0.000000       11.72285  
1 1 1 3   27  0  o 258.072 4.5408  36080.64   1269.25  38487.20   1795.52  33676.89   1794.47  266.499 6.2205  249.277 6.6463  17.22145       9.103208  
1 1 1 3   27  1  o 610.511 20.314  203235.91  13432.71 203235.91  13432.71 0.0000     0.0000   610.511 20.314  ?       ?       0.000000       20.31423  
1 1 1 3   27  2  o 649.045 21.557  229814.50  15153.95 229814.50  15153.95 0.0000     0.0000   649.045 21.557  ?       ?       0.000000       21.55664  
1 1 1 3   27  3  o 633.022 21.030  218459.30  14418.60 218459.30  14418.60 0.0000     0.0000   633.022 21.030  ?       ?       0.000000       21.02975  
1 1 1 3   27  4  o 369.619 6.4394  74030.48   2577.93  72209.53   3645.76  75851.39   3645.73  364.930 9.2238  374.030 8.9993  -9.100464      12.88662  
1 1 1 3   27  5  o 597.856 11.563  193942.30  7487.47  194984.20  9170.07  191858.41  12969.19 599.174 14.130  593.465 20.177  5.709290       24.63244  
1 1 1 3   27  6  o 393.467 6.6942  83897.34   2852.83  85301.45   4035.10  82494.03   4033.93  396.618 9.3932  390.028 9.5491  6.589874       13.39465  
1 1 1 3   27  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   27  8  o 409.760 6.8095  90999.09   3022.14  102477.80  6050.02  87182.51   3488.56  434.404 12.859  401.014 8.0319  33.38992       15.16091  
1 1 1 3   27  9  o 286.207 7.1634  44402.82   2220.60  0.0000     0.0000   44402.82   2220.60  ?       ?       286.207 7.1634  0.000000       7.163421  
1 1 1 3   27  10 o 177.539 4.0498  17075.59   778.745  18444.82   1355.76  16401.39   951.342  184.463 6.7858  173.982 5.0485  10.48045       8.457837  
1 1 1 3   27  11 o 330.693 6.1565  59280.24   2205.09  62253.59   4101.75  58071.60   2615.14  338.508 11.187  327.235 7.3784  11.27301       13.40147  
1 1 1 3   27  12 o 491.885 8.8154  131346.50  4696.52  144234.80  8692.05  126032.20  5581.42  514.127 15.609  481.555 10.701  32.57166       18.92516  
1 1 1 3   27  13 o 474.325 8.6150  122188.40  4425.90  133753.41  8193.38  117423.40  5259.23  494.755 15.290  464.673 10.450  30.08136       18.51960  
1 1 1 3   27  14 o 376.546 6.4106  76934.63   2614.50  84491.28   5229.79  74416.78   3018.80  393.586 12.268  370.196 7.5289  23.39011       14.39406  
1 1 1 3   27  15 o 306.774 6.2579  51076.77   2079.29  52936.63   3597.21  50143.56   2548.11  311.665 10.656  303.783 7.7443  7.882599       13.17316  
1 1 1 3   27  16 o 269.260 6.8609  39382.82   2000.89  39713.60   2829.78  39052.07   2829.60  269.982 9.6772  267.710 9.7587  2.271698       13.74332  
1 1 1 3   27  17 o 61.462  4.4585  2059.50    294.784  2477.66    417.612  1644.24    416.167  67.310  5.7845  54.526  7.2248  12.78399       9.255185  
1 1 1 3   27  18 o 270.425 5.6205  39706.56   1646.22  39634.85   2849.78  39742.47   2016.75  269.475 9.7639  270.371 6.8869  -0.8956604     11.94833  
1 1 1 3   27  19 o 211.476 4.5283  24265.04   1037.20  22203.91   2442.17  24718.63   1145.66  201.010 11.263  213.403 4.9566  -12.39317      12.30505  
1 1 1 3   27  20 f 83.874  2.5023  3812.29    227.314  3401.44    389.927  4023.80    279.773  79.031  4.5749  86.156  2.9981  -7.125259      5.469749  
1 1 1 3   27  21 o 198.008 4.3042  21283.78   923.086  19127.07   2125.60  21785.05   1024.76  186.298 10.578  200.277 4.7241  -13.97891      11.58481  
1 1 1 3   27  22 o 45.028  2.0266  1098.75    98.838   872.090    389.934  1114.31    102.174  39.076  9.3402  45.345  2.0804  -6.268635      9.569051  
1 1 1 3   27  23 o 82.479  3.1335  3692.46    279.923  3830.23    546.771  3643.53    325.866  83.525  6.0858  81.896  3.6737  1.628944       7.108683  
1 1 1 3   27  24 o 120.733 3.1206  7918.89    408.065  7251.24    804.920  8149.84    473.412  114.751 6.5030  122.421 3.5704  -7.670036      7.418681  
1 1 1 3   27  25 o 50.913  1.7984  1405.82    99.172   506.692    456.403  1450.38    101.599  31.215  10.934  51.713  1.8139  -20.49808      11.08304  
1 1 1 3   27  26 o 14.256  6.3036  -55.8197   191.736  80.070     405.808  -94.8732   217.550  23.038  9.6577  14.665  6.5842  8.372761       11.68859  
1 1 1 3   27  27 o 77.209  3.4184  3254.94    285.867  4032.54    583.140  3008.96    327.981  84.856  6.3918  73.990  4.1088  10.86666       7.598497  
1 1 1 3   27  28 o 80.623  3.3688  3554.21    294.171  4463.70    599.728  3266.05    337.571  89.117  6.2529  77.016  4.0611  12.10063       7.455983  
1 1 1 3   27  29 o 12.785  6.0623  -253.1859  225.292  -592.4652  416.002  -112.3812  267.994  16.166  7.8144  16.056  7.2492  0.1097202      10.65905  
1 1 1 3   27  30 o 32.224  7.1328  620.656    242.370  838.000    462.630  538.435    284.545  36.043  10.913  29.686  8.4465  6.357317       13.79994  
1 1 1 3   27  31 o 67.048  4.1709  2512.08    301.386  2143.32    566.208  2657.86    356.012  58.564  9.2322  68.623  4.8205  -10.05886      10.41494  
1 1 1 3   27  32 o 34.603  7.0235  742.079    254.240  564.899    485.943  808.858    298.328  29.059  11.095  35.572  7.9439  -6.513216      13.64570  
1 1 1 3   27  33 o 25.283  10.327  402.187    447.894  0.0000     0.0000   402.187    447.894  ?       ?       25.283  10.327  0.000000       10.32729  
1 1 1 3   27  34 o 24.981  10.100  439.336    423.282  0.0000     0.0000   439.336    423.282  ?       ?       24.981  10.100  0.000000       10.10023  
1 1 1 3   27  35 o 21.847  9.7752  234.210    475.146  0.0000     0.0000   234.210    475.146  ?       ?       21.847  9.7752  0.000000       9.775171  
1 1 1 3   28  0  o 489.415 9.6644  129903.10  5122.99  124273.70  8874.89  132716.20  6273.79  477.956 17.144  494.519 11.713  -16.56335      20.76311  
1 1 1 3   28  1  f 228.494 4.2351  28281.90   1048.11  28773.06   1482.59  27791.19   1481.91  230.439 5.9401  226.471 6.0414  3.968063       8.472525  
1 1 1 3   28  2  o 831.304 27.521  378458.81  24779.56 378458.81  24779.56 0.0000     0.0000   831.304 27.521  ?       ?       0.000000       27.52096  
1 1 1 3   28  3  o 503.885 9.8610  137692.70  5381.75  141643.91  6590.98  129788.30  9322.28  510.899 11.911  488.459 17.621  22.44046       21.26875  
1 1 1 3   28  4  f 753.081 24.934  309864.59  20337.95 309864.59  20337.95 0.0000     0.0000   753.081 24.934  ?       ?       0.000000       24.93418  
1 1 1 3   28  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   28  6  o 677.417 12.894  249143.91  9460.81  235044.91  11586.69 277347.59  16387.69 657.480 16.271  713.198 21.215  -55.71820      26.73577  
1 1 1 3   28  7  o 307.037 5.3435  51076.33   1776.98  54020.75   2514.75  48139.93   2511.32  315.698 7.3545  298.004 7.7805  17.69421       10.70632  
1 1 1 3   28  8  o 749.047 39.786  312941.69  32162.44 0.0000     0.0000   312941.69  32162.44 ?       ?       749.047 39.786  0.000000       39.78597  
1 1 1 3   28  9  o 675.270 12.863  247718.00  9408.02  248861.00  16298.11 247146.80  11521.39 674.710 22.302  673.958 15.783  0.7521973      27.32236  
1 1 1 3   28  10 o 552.706 9.1279  165739.80  5464.33  167831.00  10930.45 165043.00  6309.32  554.672 18.194  551.372 10.565  3.299988       21.03915  
1 1 1 3   28  11 o 665.832 11.855  241001.00  8549.38  241466.80  15791.30 240807.91  10168.56 663.418 21.977  665.038 14.117  -1.620483      26.12014  
1 1 1 3   28  12 o 552.286 9.8867  165712.80  5914.03  179821.59  10935.37 159880.41  7030.96  573.332 17.610  542.076 11.975  31.25653       21.29591  
1 1 1 3   28  13 o 219.031 4.7642  26004.60   1130.23  28774.30   2712.61  25422.76   1243.29  229.955 10.891  216.543 5.3010  13.41211       12.11271  
1 1 1 3   28  14 o 327.391 5.7075  58139.40   2023.86  63415.90   4047.58  56380.40   2336.99  341.190 10.953  322.303 6.6946  18.88727       12.83679  
1 1 1 3   28  15 o 697.441 19.790  269322.31  14949.16 270758.41  27729.66 268734.00  17749.30 679.010 37.856  693.452 23.632  -14.44153      44.62620  
1 1 1 3   28  16 o 209.557 6.2492  23843.66   1418.39  21968.40   2367.32  24893.84   1771.57  200.318 10.953  213.984 7.6438  -13.66658      13.35613  
1 1 1 3   28  17 o 52.867  4.7941  1528.62    271.526  1266.79    384.824  1788.21    383.173  47.658  7.7191  57.033  6.3087  -9.374039      9.969103  
1 1 1 3   28  18 o 154.801 3.3777  12989.75   566.322  12595.78   1128.56  13122.34   654.724  152.210 6.8456  155.565 3.8858  -3.355118      7.871580  
1 1 1 3   28  19 f 111.638 3.0199  6755.23    365.155  5854.25    731.576  7054.18    421.401  103.557 6.5562  114.068 3.4108  -10.51112      7.390411  
1 1 1 3   28  20 o 84.980  3.1185  3915.10    287.030  3825.25    558.877  3947.29    334.519  83.636  6.2139  85.312  3.6203  -1.675827      7.191580  
1 1 1 3   28  21 o 48.853  4.1278  1304.61    216.369  1000.16    405.168  1426.07    255.915  41.940  9.1747  51.028  4.6827  -9.087997      10.30060  
1 1 1 3   28  22 o 57.415  2.4286  1787.06    151.027  1845.75    433.240  1778.94    161.135  57.708  7.0799  57.280  2.5972  0.4275818      7.541297  
1 1 1 3   28  23 o 123.647 3.1548  8299.57    422.501  7942.30    824.916  8426.62    491.920  120.351 6.3508  124.539 3.6469  -4.188141      7.323428  
1 1 1 3   28  24 o 28.757  6.0711  470.162    183.161  435.285    340.143  484.406    217.367  28.527  9.4490  29.097  6.9856  -0.5695610     11.75088  
1 1 1 3   28  25 o 109.503 3.2171  6524.43    381.554  7020.53    755.144  6354.35    442.146  112.707 6.2100  107.969 3.7809  4.737198       7.270410  
1 1 1 3   28  26 o 90.507  3.2866  4463.35    322.180  4866.37    637.600  4325.17    373.349  93.537  6.3308  88.990  3.8735  4.547394       7.421778  
1 1 1 3   28  27 o 47.947  2.2790  1249.65    118.355  1191.11    468.605  1253.64    122.321  44.559  9.9599  48.018  2.3519  -3.458363      10.23382  
1 1 1 3   28  28 o 33.459  6.1260  643.951    213.822  170.586    444.337  786.600    243.921  24.794  10.225  37.006  6.3121  -12.21152      12.01643  
1 1 1 3   28  29 o 80.232  3.6193  3536.29    314.519  3189.31    598.069  3668.93    369.782  74.141  7.5532  81.419  4.2076  -7.277573      8.646109  
1 1 1 3   28  30 o 43.756  5.5987  1095.47    259.251  1011.17    477.489  1130.71    308.718  39.474  10.838  43.984  6.6913  -4.510262      12.73709  
1 1 1 3   28  31 o 91.481  3.1453  4607.06    311.651  5309.51    676.302  4417.68    351.158  95.442  6.5826  89.341  3.6290  6.101166       7.516617  
1 1 1 3   28  32 o 53.987  4.7370  1675.03    274.190  1770.51    522.485  1638.74    322.108  51.133  9.7907  52.704  5.7352  -1.571159      11.34680  
1 1 1 3   28  33 o 45.953  9.1418  1459.93    438.994  0.0000     0.0000   1459.93    438.994  ?       ?       45.953  9.1418  0.000000       9.141779  
1 1 1 3   28  34 o 20.352  9.2459  59.555     444.092  0.0000     0.0000   59.555     444.092  ?       ?       20.352  9.2459  0.000000       9.245905  
1 1 1 3   28  35 o 23.069  9.8215  365.778    430.507  0.0000     0.0000   365.778    430.507  ?       ?       23.069  9.8215  0.000000       9.821460  
1 1 1 3   29  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   29  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   29  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   29  4  o 659.930 15.438  236660.59  11034.45 234749.41  15605.60 238571.50  15604.54 656.111 21.960  661.468 21.781  -5.356750      30.92963  
1 1 1 3   29  5  o 165.210 3.3373  14783.72   597.179  15588.66   846.045  13984.48   843.040  169.635 4.6048  160.667 4.8445  8.967911       6.683804  
1 1 1 3   29  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   29  7  o 274.725 4.9185  40889.22   1463.54  41477.25   2071.31  40302.95   2068.21  276.640 6.9129  272.693 7.0025  3.947021       9.839859  
1 1 1 3   29  8  o 228.944 5.8212  28402.65   1443.48  0.0000     0.0000   28402.65   1443.48  ?       ?       228.944 5.8212  0.000000       5.821185  
1 1 1 3   29  9  o 718.878 13.621  280894.31  10605.93 289172.00  18373.21 276757.59  12988.42 726.824 23.339  712.881 16.822  13.94348       28.76953  
1 1 1 3   29  10 o 220.674 4.1366  26382.51   988.694  24728.04   1982.10  26930.51   1140.74  213.502 8.5714  222.940 4.7242  -9.438644      9.787107  
1 1 1 3   29  11 o 101.598 2.7282  5591.20    300.216  5302.84    620.283  5679.42    343.077  98.735  5.8261  102.394 3.0935  -3.658958      6.596457  
1 1 1 3   29  12 o 473.362 7.9098  121607.70  4055.37  124169.40  8111.71  120754.00  4682.54  476.815 15.707  471.523 9.1687  5.291901       18.18721  
1 1 1 3   29  13 o 364.975 6.7540  72278.08   2669.90  73930.02   4955.92  71602.59   3169.11  368.276 12.425  363.117 8.0579  5.158417       14.80873  
1 1 1 3   29  14 o 92.585  2.8409  4644.13    284.882  4577.29    568.344  4666.56    329.228  91.678  5.7528  92.802  3.2754  -1.124016      6.619916  
1 1 1 3   29  15 o 248.777 6.4415  33597.91   1735.68  35166.05   2454.55  32029.59   2454.70  254.234 8.9139  242.577 9.3428  11.65770       12.91301  
1 1 1 3   29  16 o 178.057 5.1017  17199.90   983.880  17607.87   1390.24  16790.55   1392.59  180.005 7.1308  175.762 7.3153  4.243256       10.21572  
1 1 1 3   29  17 o 95.335  2.9730  4925.30    306.984  5666.48    603.455  4666.52    356.570  102.028 5.4809  92.783  3.5482  9.244759       6.529134  
1 1 1 3   29  18 o 102.724 2.9835  5718.92    331.952  5697.03    591.349  5728.99    401.111  102.303 5.3555  102.797 3.6026  -0.4943161     6.454449  
1 1 1 3   29  19 o 262.764 4.9645  37480.05   1412.90  37979.07   2636.45  37278.98   1673.51  263.744 9.2292  261.931 5.8989  1.812988       10.95335  
1 1 1 3   29  20 o 52.133  3.9657  1483.01    222.250  2103.93    415.217  1233.68    263.116  61.877  6.2826  47.372  5.2144  14.50497       8.164663  
1 1 1 3   29  21 o 117.541 3.1675  7492.50    403.258  6866.75    788.893  7713.84    469.188  112.085 6.5265  119.239 3.6330  -7.153091      7.469540  
1 1 1 3   29  22 o 169.904 3.5677  15669.31   656.535  15643.62   1307.62  15677.97   759.158  169.180 7.1362  169.885 4.1258  -0.7051392     8.242997  
1 1 1 3   29  23 o 51.383  1.8284  1431.05    101.755  1560.71    151.470  1324.40    137.367  53.637  2.6073  49.344  2.5792  4.293297       3.667479  
1 1 1 3   29  24 o 25.153  6.6163  360.486    182.667  857.624    415.317  241.251    203.397  38.416  9.9145  21.625  7.3089  16.79074       12.31738  
1 1 1 3   29  25 o 19.855  1.8185  215.621    38.673   211.973    39.272   332.413    222.192  19.680  1.8646  24.462  7.5924  -4.781578      7.818009  
1 1 1 3   29  26 o 73.434  3.4152  2940.19    271.636  2782.19    551.813  2990.72    312.065  70.230  7.3639  73.884  3.9136  -3.654251      8.339249  
1 1 1 3   29  27 o 96.882  3.2218  5121.63    338.073  5210.07    681.483  5092.76    389.362  96.375  6.5677  96.486  3.7258  -0.1110382     7.550939  
1 1 1 3   29  28 o 24.721  7.2192  354.135    205.370  507.899    427.534  308.013    234.154  30.166  10.581  23.618  7.8407  6.548271       13.16962  
1 1 1 3   29  29 o 43.219  5.8420  1066.61    266.463  959.539    471.060  1116.98    323.129  38.940  10.794  43.755  7.0586  -4.815060      12.89722  
1 1 1 3   29  30 o 33.759  6.8484  676.323    241.849  1003.30    460.193  551.554    284.271  39.428  10.563  30.008  8.4092  9.420097       13.50168  
1 1 1 3   29  31 o 49.547  5.0179  1398.87    265.571  1265.96    503.736  1450.03    312.532  43.498  10.753  50.004  5.8830  -6.506088      12.25724  
1 1 1 3   29  32 o 5.2709  2.4849  -40.2818   36.843   -85.2548   449.016  -39.9769   36.968   20.062  9.1841  5.2919  2.4930  14.77048       9.516438  
1 1 1 3   29  33 o 20.764  9.1471  108.726    400.034  0.0000     0.0000   108.726    400.034  ?       ?       20.764  9.1471  0.000000       9.147132  
1 1 1 3   29  34 o 18.783  8.7552  -87.1770   435.841  0.0000     0.0000   -87.1770   435.841  ?       ?       18.783  8.7552  0.000000       8.755154  
1 1 1 3   29  35 o 23.273  9.8485  385.906    428.470  0.0000     0.0000   385.906    428.470  ?       ?       23.273  9.8485  0.000000       9.848518  
1 1 1 3   30  0  o 179.368 3.5716  17426.54   693.865  18059.47   981.600  16794.45   980.948  182.581 4.9637  176.068 5.1439  6.513062       7.148318  
1 1 1 3   30  1  o 294.303 5.2600  46924.34   1676.68  48728.75   2371.38  45120.57   2370.97  299.853 7.3017  288.530 7.5869  11.32367       10.52976  
1 1 1 3   30  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   30  3  o 467.118 7.9404  118273.00  4017.34  114172.30  5681.18  122374.20  5681.57  458.727 11.434  474.948 11.045  -16.22107      15.89750  
1 1 1 3   30  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   30  5  f 312.825 5.4369  53019.77   1842.13  55282.96   2605.75  50758.61   2604.58  319.366 7.5331  306.007 7.8584  13.35895       10.88591  
1 1 1 3   30  6  o 205.642 3.9645  22907.19   883.020  23390.95   1250.22  22425.65   1247.34  207.777 5.5554  203.443 5.6608  4.334366       7.931391  
1 1 1 3   30  7  o 613.795 14.381  204740.20  9560.23  203623.80  13519.12 205857.09  13521.30 611.036 20.427  614.401 20.319  -3.364624      28.81192  
1 1 1 3   30  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   30  9  o 448.017 8.5602  108865.70  4153.81  118340.80  7199.78  104138.40  5085.53  466.478 14.250  437.992 10.720  28.48547       17.83217  
1 1 1 3   30  10 o 664.475 10.877  239817.20  7828.10  247242.70  15658.65 237343.00  9038.64  671.804 21.520  660.700 12.631  11.10468       24.95284  
1 1 1 3   30  11 o 275.420 4.8886  41109.59   1458.32  41306.52   2918.82  41044.08   1683.51  275.783 9.7717  275.167 5.6487  0.6151428      11.28689  
1 1 1 3   30  12 o 180.026 3.7302  17560.23   727.343  16516.31   1764.33  17773.96   798.338  174.107 9.3908  181.109 4.0698  -7.002899      10.23479  
1 1 1 3   30  13 o 333.386 6.2406  60295.65   2253.43  63000.67   4188.74  59193.92   2673.23  340.100 11.371  330.202 7.4746  9.898346       13.60786  
1 1 1 3   30  14 o 292.047 7.3245  46320.24   2316.88  46620.40   3276.39  46020.02   3276.74  292.583 10.339  290.682 10.408  1.900970       14.67015  
1 1 1 3   30  15 o 369.345 8.9898  74235.74   3596.27  74846.19   5085.74  73625.23   5086.06  369.972 12.692  366.912 12.798  3.059814       18.02417  
1 1 1 3   30  16 o 101.565 3.0553  5590.00    336.103  5848.57    641.260  5492.06    394.654  103.646 5.7346  100.659 3.6199  2.987427       6.781536  
1 1 1 3   30  17 o 345.926 5.9973  64985.20   2247.02  68305.23   4489.00  63875.20   2595.61  353.267 11.732  342.788 6.9911  10.47900       13.65716  
1 1 1 3   30  18 o 210.356 4.2625  24000.99   971.168  23946.38   1822.77  24022.63   1147.62  209.700 8.0253  210.386 5.0363  -0.6855774     9.474723  
1 1 1 3   30  19 o 160.459 3.5119  13960.34   610.351  13908.68   1205.32  13978.16   707.808  159.879 6.9605  160.528 4.0709  -0.6494141     8.063590  
1 1 1 3   30  20 o 60.998  3.6167  2025.10    237.879  1986.08    448.110  2040.42    280.694  59.985  7.0305  61.170  4.2633  -1.184792      8.222178  
1 1 1 3   30  21 f 207.881 4.0249  23457.22   906.229  22225.62   1802.53  23873.83   1048.35  201.602 8.2550  209.642 4.6170  -8.039688      9.458433  
1 1 1 3   30  22 o 36.653  4.9208  743.799    190.415  423.795    366.925  861.740    222.758  28.810  9.8163  39.428  5.3548  -10.61800      11.18187  
1 1 1 3   30  23 o 76.268  2.7326  3156.38    225.729  2890.54    328.163  3395.12    310.987  72.771  4.1811  79.040  3.6327  -6.269226      5.538746  
1 1 1 3   30  24 o 33.398  1.6940  606.247    61.076   980.558    423.863  598.310    61.720   41.061  9.6873  33.176  1.7236  7.885414       9.839427  
1 1 1 3   30  25 o 67.510  2.5181  2475.75    184.121  2741.55    240.033  2095.80    286.985  70.983  3.1221  61.785  4.3156  9.198578       5.326557  
1 1 1 3   30  26 o 112.488 3.1524  6893.22    384.081  6708.52    788.994  6950.59    439.696  109.662 6.6745  112.854 3.5972  -3.192177      7.582142  
1 1 1 3   30  27 o 115.674 3.3023  7304.77    413.736  6624.56    818.920  7537.89    479.422  108.442 7.0098  117.362 3.7716  -8.920258      7.960027  
1 1 1 3   30  28 o 50.423  4.3039  1409.90    232.800  1770.34    477.861  1297.73    266.573  54.978  8.2820  48.100  5.1995  6.877441       9.778886  
1 1 1 3   30  29 o 91.096  3.5138  4557.04    346.692  4317.56    656.778  4649.54    408.197  86.633  7.0609  91.785  4.1061  -5.151237      8.167978  
1 1 1 3   30  30 o 93.194  3.4637  4780.72    349.627  4577.29    678.241  4854.35    408.017  88.682  7.1212  93.646  4.0227  -4.963409      8.178897  
1 1 1 3   30  31 o 57.016  4.6175  1837.18    282.701  1794.08    526.536  1854.63    335.096  53.004  9.5216  56.790  5.5175  -3.786274      11.00472  
1 1 1 3   30  32 o 46.398  5.3373  1265.05    263.333  694.235    502.209  1481.50    309.257  30.672  11.371  49.882  5.8343  -19.21021      12.78052  
1 1 1 3   30  33 o 34.627  2.3398  663.437    87.239   0.0000     0.0000   663.437    87.239   ?       ?       34.627  2.3398  0.000000       2.339790  
1 1 1 3   30  34 o 33.212  10.629  909.972    432.342  0.0000     0.0000   909.972    432.342  ?       ?       33.212  10.629  0.000000       10.62896  
1 1 1 3   30  35 o 22.785  9.8926  339.906    453.307  0.0000     0.0000   339.906    453.307  ?       ?       22.785  9.8926  0.000000       9.892562  
1 1 1 3   31  0  o 115.025 2.7692  7165.94    344.996  6906.63    492.617  7415.54    483.312  112.918 4.0279  117.006 3.8137  -4.087585      5.546925  
1 1 1 3   31  1  o 301.434 5.2299  49225.93   1707.49  51790.10   2415.15  46663.40   2414.37  309.132 7.2132  293.421 7.5970  15.71091       10.47594  
1 1 1 3   31  2  o 192.842 3.5420  20142.98   739.816  21057.42   1046.40  19229.03   1046.12  197.155 4.9003  188.398 5.1266  8.756775       7.091899  
1 1 1 3   31  3  o 181.558 3.4903  17854.49   686.348  18000.06   969.739  17708.38   971.549  182.281 4.9118  180.797 4.9614  1.483551       6.981513  
1 1 1 3   31  4  o 315.173 5.5348  53819.36   1889.40  52492.13   2671.82  55146.96   2672.19  311.188 7.9271  318.967 7.7348  -7.779419      11.07550  
1 1 1 3   31  5  o 292.378 5.1600  46313.71   1634.06  46628.55   2311.24  45999.04   2310.58  293.310 7.2752  291.322 7.3228  1.988220       10.32243  
1 1 1 3   31  6  o 232.236 4.1968  29216.21   1055.66  30567.92   1495.37  27873.29   1490.49  237.516 5.8128  226.800 6.0676  10.71587       8.402622  
1 1 1 3   31  7  o 481.001 9.2421  125481.60  4814.88  125561.20  8339.25  125441.80  5897.12  480.435 16.026  480.745 11.325  -0.3099060     19.62385  
1 1 1 3   31  8  o 265.223 5.5284  38116.86   1588.11  37950.76   1946.82  38447.22   2745.65  264.605 6.7930  266.217 9.5223  -1.611572      11.69691  
1 1 1 3   31  9  o 288.149 5.4188  44994.28   1691.18  46987.52   3160.59  44194.64   2001.88  294.238 9.9174  285.538 6.4730  8.700409       11.84292  
1 1 1 3   31  10 o 327.856 5.5992  58259.68   1988.30  64992.88   3982.52  56024.18   2294.75  345.907 10.630  321.452 6.5910  24.45517       12.50741  
1 1 1 3   31  11 o 47.582  3.1834  1232.00    163.115  1404.83    321.780  1172.23    189.229  50.550  5.9939  46.359  3.8021  4.191059       7.098112  
1 1 1 3   31  12 o 53.344  2.9069  1546.11    167.317  1846.36    334.647  1446.04    193.199  58.110  5.3780  51.544  3.4810  6.565708       6.406262  
1 1 1 3   31  13 o 342.019 9.8764  63637.46   3658.64  63372.73   4407.90  64223.78   6559.80  340.951 11.936  341.412 17.801  -0.4613037     21.43260  
1 1 1 3   31  14 o 197.303 5.4327  21115.46   1160.96  22508.76   1642.17  19723.28   1641.51  203.566 7.4481  190.514 7.9551  13.05168       10.89761  
1 1 1 3   31  15 o 298.892 7.4734  48548.93   2419.36  50283.14   3421.58  46814.90   3421.40  303.690 10.402  292.957 10.783  10.73364       14.98247  
1 1 1 3   31  16 f 48.049  2.2461  1250.71    116.888  1163.17    137.751  1475.87    220.913  46.250  2.7625  52.026  3.9499  -5.776016      4.820081  
1 1 1 3   31  17 o 114.845 3.0546  7147.97    379.960  7721.78    744.621  6945.96    441.808  119.254 5.7649  113.194 3.6036  6.059517       6.798549  
1 1 1 3   31  18 o 186.654 3.8602  18892.05   780.398  19156.90   1463.84  18786.89   922.410  187.656 7.2022  186.085 4.5766  1.571075       8.533245  
1 1 1 3   31  19 o 465.186 8.4361  118033.60  4250.47  117210.20  12031.08 118151.00  4543.46  450.951 24.727  465.181 9.0177  -14.23056      26.31967  
1 1 1 3   31  20 o 245.150 4.4973  32624.22   1194.15  32636.20   2376.58  32620.18   1381.16  244.328 8.9807  245.036 5.2041  -0.7079468     10.37952  
1 1 1 3   31  21 o 71.669  3.4185  2786.47    265.361  2842.56    497.436  2764.16    313.729  71.943  6.4523  71.239  4.0830  0.7045746      7.635692  
1 1 1 3   31  22 o 89.793  2.9927  4374.22    291.054  4399.59    539.487  4363.80    345.677  89.686  5.5814  89.653  3.5599  0.3273010E-01  6.620037  
1 1 1 3   31  23 o 26.782  6.3130  408.309    180.132  128.002    334.527  522.770    213.769  22.286  8.9901  30.303  6.6919  -8.016245      11.20734  
1 1 1 3   31  24 o 139.362 3.3400  10562.89   504.147  10968.29   1001.91  10425.45   583.383  141.155 6.5533  138.346 3.8933  2.809235       7.622567  
1 1 1 3   31  25 o 58.484  2.4916  1858.01    157.828  1888.09    190.520  1792.22    281.770  58.839  2.9995  57.049  4.5992  1.790188       5.490890  
1 1 1 3   31  26 o 77.046  3.4288  3237.89    286.130  2560.94    568.490  3467.56    331.130  67.053  7.9847  79.660  3.8379  -12.60652      8.859109  
1 1 1 3   31  27 o 60.892  3.9234  2039.45    257.385  2306.52    513.136  1949.67    297.520  63.495  7.6132  59.341  4.6667  4.154331       8.929647  
1 1 1 3   31  28 o 16.780  6.9329  57.413     204.795  424.530    412.002  -63.0620   236.018  28.361  10.335  15.709  6.9677  12.65203       12.46428  
1 1 1 3   31  29 o 33.237  1.6887  601.751    60.592   607.109    61.796   468.293    308.416  33.382  1.7149  28.111  8.9753  5.271185       9.137668  
1 1 1 3   31  30 o 55.158  2.6045  1663.02    155.595  1645.11    175.453  1728.96    336.695  54.706  2.9723  55.013  5.7350  -0.3070068     6.459462  
1 1 1 3   31  31 o 50.176  1.8497  1371.97    100.524  1517.19    146.850  1243.93    137.897  52.611  2.5771  47.540  2.6891  5.070808       3.724612  
1 1 1 3   31  32 o 43.146  2.0415  1019.57    95.405   933.945    483.550  1023.03    97.318   34.929  11.247  43.211  2.0794  -8.281479      11.43800  
1 1 1 3   31  33 o 26.387  10.390  489.587    436.210  0.0000     0.0000   489.587    436.210  ?       ?       26.387  10.390  0.000000       10.39008  
1 1 1 3   31  34 o 31.493  10.582  822.928    426.345  0.0000     0.0000   822.928    426.345  ?       ?       31.493  10.582  0.000000       10.58209  
1 1 1 3   31  35 o 23.231  10.048  370.732    464.217  0.0000     0.0000   370.732    464.217  ?       ?       23.231  10.048  0.000000       10.04844  
1 1 1 3   32  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   32  1  o 478.010 7.9973  123855.00  4140.48  126998.40  5855.94  120712.40  5855.11  483.827 11.175  471.679 11.461  12.14786       16.00708  
1 1 1 3   32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   32  3  o 777.545 25.748  330636.19  21684.12 330636.19  21684.12 0.0000     0.0000   777.545 25.748  ?       ?       0.000000       25.74815  
1 1 1 3   32  4  o 180.949 3.6140  17735.36   708.304  17049.77   1002.02  18420.05   1001.36  177.398 5.2150  184.392 5.0140  -6.993851      7.234389  
1 1 1 3   32  5  o 395.304 6.7119  84686.19   2873.74  85409.45   4064.46  83963.20   4063.71  396.848 9.4560  393.470 9.5355  3.378998       13.42911  
1 1 1 3   32  6  o 652.277 12.375  231005.80  8742.95  241427.50  10708.20 210166.30  15142.32 666.454 14.835  620.314 22.538  46.13959       26.98178  
1 1 1 3   32  7  o 359.095 7.0908  69896.38   2757.89  69938.66   4775.93  69875.22   3378.03  358.876 12.287  358.959 8.6886  -0.8227539E-01 15.04857  
1 1 1 3   32  8  o 470.069 9.0089  119860.10  4586.74  121631.60  5618.61  116321.10  7941.56  473.345 10.959  462.285 15.861  11.05963       19.27876  
1 1 1 3   32  9  o 488.913 8.0800  129650.90  4278.70  138176.30  8561.86  126813.00  4939.76  503.654 15.695  483.397 9.4348  20.25662       18.31266  
1 1 1 3   32  10 o 328.651 6.1204  58555.50   2178.64  60392.43   4054.47  57809.79   2583.27  333.349 11.230  326.478 7.3054  6.871521       13.39676  
1 1 1 3   32  11 o 614.564 10.172  205247.80  6770.68  205213.09  13542.69 205259.30  7817.85  611.303 20.454  614.225 11.751  -2.922607      23.58943  
1 1 1 3   32  12 o 204.963 5.5479  22778.96   1231.62  21873.91   1739.66  23688.42   1743.90  200.714 8.0023  208.893 7.7077  -8.178726      11.11065  
1 1 1 3   32  13 o 53.527  4.3038  1563.05    247.404  1581.14    339.237  1542.49    361.596  53.661  5.9362  52.927  6.4405  0.7339897      8.758894  
1 1 1 3   32  14 o 281.646 8.2270  43120.31   2509.65  42501.05   4405.82  43417.75   3053.44  278.104 14.679  282.365 9.9841  -4.260651      17.75244  
1 1 1 3   32  15 f 212.292 6.2248  24467.54   1431.30  26112.80   1785.85  21512.65   2393.31  219.188 7.5224  198.202 11.194  20.98582       13.48711  
1 1 1 3   32  16 o 227.102 4.6028  27973.45   1132.16  31231.38   2120.11  26673.76   1339.08  239.568 8.1707  221.684 5.5770  17.88416       9.892600  
1 1 1 3   32  17 o 273.728 4.9150  40655.29   1457.18  40776.06   2907.00  40614.77   1684.02  273.347 9.8188  273.503 5.6848  -0.1552124     11.34578  
1 1 1 3   32  18 o 175.393 3.5842  16678.57   680.888  14996.65   1341.68  17262.00   790.206  165.999 7.4623  178.404 4.0895  -12.40411      8.509398  
1 1 1 3   32  19 o 278.830 5.0173  42213.41   1515.25  41721.86   3020.47  42378.71   1751.60  276.107 10.100  279.254 5.7911  -3.147552      11.64259  
1 1 1 3   32  20 f 277.802 5.3473  41939.01   1608.95  41831.11   4290.67  41956.66   1735.59  274.084 14.505  277.781 5.7687  -3.696899      15.61005  
1 1 1 3   32  21 o 201.716 4.1008  22092.94   895.943  19787.24   2193.12  22554.82   981.588  189.173 10.748  203.767 4.4476  -14.59404      11.63190  
1 1 1 3   32  22 o 76.500  2.7935  3174.45    231.460  2980.57    331.443  3359.01    323.374  73.938  4.1556  78.638  3.7967  -4.699814      5.628859  
1 1 1 3   32  23 o 27.434  6.1449  428.084    178.055  241.538    338.280  499.573    209.411  24.456  9.2762  29.606  6.6883  -5.150221      11.43600  
1 1 1 3   32  24 o 23.447  7.2939  302.976    204.931  -9.5592    412.092  405.660    236.209  22.131  9.5201  26.746  7.7228  -4.614944      12.25863  
1 1 1 3   32  25 o 23.800  2.0081  309.565    51.280   133.104    411.737  312.345    51.683   24.007  9.8647  23.907  2.0148  0.9988976E-01  10.06837  
1 1 1 3   32  26 o 76.121  3.3587  3160.28    276.916  3358.79    565.355  3097.62    317.626  77.354  6.8176  75.168  3.9149  2.186127       7.861644  
1 1 1 3   32  27 o 140.635 3.4305  10808.25   522.539  10923.06   1034.68  10768.95   605.418  139.519 6.8470  140.158 3.9881  -0.6386261     7.923795  
1 1 1 3   32  28 o 45.130  2.1673  1107.97    105.938  643.506    463.607  1133.56    108.817  32.917  11.035  45.645  2.2010  -12.72840      11.25233  
1 1 1 3   32  29 o 60.110  2.1066  1967.02    137.151  1581.93    205.516  2276.22    184.158  53.533  3.5649  64.567  2.6334  -11.03452      4.432051  
1 1 1 3   32  30 o 105.387 2.8348  6082.48    323.581  4865.53    609.314  6560.50    381.880  92.211  6.1359  109.270 3.2267  -17.05904      6.932555  
1 1 1 3   32  31 o 48.124  2.2164  1265.94    115.526  1297.00    124.045  1062.85    317.209  48.682  2.3525  41.812  7.2682  6.869827       7.639458  
1 1 1 3   32  32 o 16.294  7.4117  -77.5227   286.503  0.0000     0.0000   -77.5227   286.503  ?       ?       16.294  7.4117  0.000000       7.411672  
1 1 1 3   32  33 o 45.749  9.1656  1462.83    438.334  0.0000     0.0000   1462.83    438.334  ?       ?       45.749  9.1656  0.000000       9.165571  
1 1 1 3   32  34 o 35.116  11.083  1055.54    471.322  0.0000     0.0000   1055.54    471.322  ?       ?       35.116  11.083  0.000000       11.08298  
1 1 1 3   32  35 o 26.174  10.472  584.608    449.856  0.0000     0.0000   584.608    449.856  ?       ?       26.174  10.472  0.000000       10.47205  
1 1 1 3   33  0  o 159.758 3.0817  13823.79   533.244  14357.22   754.333  13290.96   753.909  162.801 4.2779  156.637 4.4438  6.163589       6.168315  
1 1 1 3   33  1  o 531.862 10.342  153433.50  5957.79  156847.70  7296.58  146604.09  10319.74 537.550 12.532  519.016 18.358  18.53387       22.22753  
1 1 1 3   33  2  o 284.812 4.8666  43945.01   1501.26  45478.57   2123.52  42412.65   2122.69  289.691 6.7679  279.749 7.0056  9.941864       9.740785  
1 1 1 3   33  3  o 518.201 9.9396  145643.20  5578.76  144012.41  6832.12  148906.09  9663.96  515.092 12.246  523.211 17.053  -8.119263      20.99484  
1 1 1 3   33  4  o 339.564 6.3140  62482.13   2322.20  62021.95   3580.00  62816.39   3051.19  338.164 9.7743  340.395 8.2759  -2.230957      12.80730  
1 1 1 3   33  5  o 242.312 4.4122  31807.51   1157.99  31353.26   1639.96  32259.20   1635.33  240.536 6.2948  243.989 6.1882  -3.452988      8.827167  
1 1 1 3   33  6  o 179.862 4.0411  17524.41   787.244  17347.54   1359.52  17613.64   965.607  178.901 7.0162  180.307 4.9445  -1.405838      8.583391  
1 1 1 3   33  7  o 331.861 8.1247  59716.48   2920.35  60292.11   4131.25  59141.55   4128.74  333.251 11.446  330.049 11.550  3.202515       16.26029  
1 1 1 3   33  8  o 90.820  3.1344  4467.85    308.328  4556.93    384.495  4307.37    516.068  91.716  3.8706  88.994  5.3793  2.722641       6.627061  
1 1 1 3   33  9  o 402.693 7.7698  87953.70   3388.84  96024.77   5873.73  83926.58   4149.03  420.198 12.906  393.194 9.7425  27.00455       16.17033  
1 1 1 3   33  10 o 128.510 3.0014  8946.05    417.769  9508.91    846.001  8764.53    480.434  132.440 5.8977  127.194 3.4874  5.246475       6.851598  
1 1 1 3   33  11 o 305.634 7.6038  50691.82   2517.10  50253.01   3560.47  51130.25   3558.96  303.989 10.814  306.642 10.716  -2.653351      15.22384  
1 1 1 3   33  12 o 251.530 6.4769  34324.32   1764.53  33997.95   2494.18  34651.34   2496.66  250.102 9.2075  252.502 9.1290  -2.399643      12.96598  
1 1 1 3   33  13 o 225.698 5.9152  27635.39   1446.01  25038.93   2042.43  30244.80   2047.51  214.605 8.7869  235.940 8.0123  -21.33411      11.89142  
1 1 1 3   33  14 o 443.846 8.2082  107096.60  3945.93  118866.50  7307.84  102252.80  4688.10  465.712 14.488  433.292 9.9895  32.41940       17.59791  
1 1 1 3   33  15 o 99.196  3.1135  5332.19    334.513  5858.59    613.735  5109.71    398.987  103.764 5.4804  97.090  3.7942  6.674049       6.665586  
1 1 1 3   33  16 o 264.194 5.0795  37871.23   1453.51  42527.61   2715.48  36001.41   1720.77  279.406 8.9731  257.474 6.1705  21.93201       10.88994  
1 1 1 3   33  17 o 68.871  3.2341  2570.91    241.244  1999.08    441.312  2814.61    288.101  60.253  6.8860  71.957  3.7092  -11.70361      7.821481  
1 1 1 3   33  18 o 151.567 3.4938  12454.60   573.547  12228.42   1269.81  12512.57   642.860  149.644 7.8620  151.898 3.9075  -2.254196      8.779515  
1 1 1 3   33  19 o 168.633 3.5676  15421.29   651.612  15064.32   1280.78  15545.95   756.890  166.334 7.1093  169.275 4.1283  -2.940903      8.220972  
1 1 1 3   33  20 o 149.114 3.4863  12059.98   563.061  11390.43   1060.48  12322.83   664.454  144.606 6.7709  150.687 4.0712  -6.081726      7.900595  
1 1 1 3   33  21 o 71.533  2.7425  2774.48    212.480  2702.44    486.685  2791.44    236.177  70.110  6.4825  71.741  3.0395  -1.631592      7.159720  
1 1 1 3   33  22 o 58.561  2.6110  1859.97    165.608  2252.79    438.271  1794.54    178.870  63.893  6.4200  57.512  2.8715  6.380859       7.032909  
1 1 1 3   33  23 o 18.478  6.6657  157.115    170.762  242.193    320.830  123.487    201.706  24.079  9.0566  18.458  7.1228  5.621698       11.52200  
1 1 1 3   33  24 o 74.678  3.5109  3035.69    283.976  3603.56    553.674  2832.98    330.800  80.649  6.3908  71.931  4.2650  8.717636       7.683284  
1 1 1 3   33  25 o 101.412 3.2356  5599.99    355.394  5688.77    706.015  5569.86    411.304  101.198 6.4752  101.043 3.7582  0.1543198      7.486867  
1 1 1 3   33  26 o 50.081  4.4729  1386.46    240.071  1234.30    472.601  1439.37    278.709  45.544  9.8659  50.876  5.1278  -5.331947      11.11889  
1 1 1 3   33  27 o 27.760  7.1818  450.270    217.573  114.982    429.619  565.925    252.323  23.811  9.9561  31.039  7.5727  -7.228224      12.50875  
1 1 1 3   33  28 o 76.738  3.5638  3228.96    296.209  2688.01    576.696  3422.82    345.228  67.975  7.9851  78.764  4.0606  -10.78942      8.958274  
1 1 1 3   33  29 o 28.798  1.4224  450.210    44.365   332.388    62.101   573.028    63.404   24.580  2.3617  32.414  1.8132  -7.833677      2.977458  
1 1 1 3   33  30 o 55.089  2.2051  1654.99    131.569  1779.95    142.878  958.056    337.425  57.111  2.3098  39.639  8.1320  17.47195       8.453693  
1 1 1 3   33  31 o 34.703  1.1518  653.913    43.293   668.504    43.808   43.683     283.308  35.088  1.1527  18.312  7.8853  16.77595       7.969122  
1 1 1 3   33  32 o 36.913  7.8783  888.018    305.387  0.0000     0.0000   888.018    305.387  ?       ?       36.913  7.8783  0.000000       7.878301  
1 1 1 3   33  33 o 14.768  3.0304  125.837    46.849   0.0000     0.0000   125.837    46.849   ?       ?       14.768  3.0304  0.000000       3.030427  
1 1 1 3   33  34 o 34.761  11.203  1051.66    479.627  0.0000     0.0000   1051.66    479.627  ?       ?       34.761  11.203  0.000000       11.20256  
1 1 1 3   33  35 o 19.875  9.0687  87.702     433.217  0.0000     0.0000   87.702     433.217  ?       ?       19.875  9.0687  0.000000       9.068727  
1 1 1 3   34  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   34  1  o 547.956 8.9925  162802.41  5337.00  169158.30  7548.19  156448.30  7547.13  558.236 12.484  536.803 12.981  21.43243       18.00968  
1 1 1 3   34  2  o 225.154 4.1871  27461.02   1021.08  28120.52   1443.89  26801.29   1444.16  227.813 5.8518  222.402 5.9952  5.410828       8.377697  
1 1 1 3   34  3  o 617.075 11.749  206657.00  7852.71  206802.59  9617.05  206365.80  13602.74 616.961 14.392  615.308 20.411  1.653076       24.97460  
1 1 1 3   34  4  o 574.724 9.5780  179144.41  5962.15  180817.30  8432.30  177471.80  8431.19  576.980 13.493  571.602 13.618  5.378235       19.17099  
1 1 1 3   34  5  o 698.915 13.308  265336.31  10074.44 271012.31  12338.70 253984.91  17449.20 705.852 16.139  681.598 23.636  24.25385       28.62073  
1 1 1 3   34  6  o 723.547 17.003  285003.00  13324.82 299086.31  18843.18 270916.81  18845.09 739.444 23.528  703.392 24.736  36.05219       34.13832  
1 1 1 3   34  7  o 770.567 17.946  323633.50  14977.77 323633.50  14977.77 0.0000     0.0000   770.567 17.946  ?       ?       0.000000       17.94596  
1 1 1 3   34  8  o 443.535 7.4590  106673.00  3583.26  106767.90  5068.20  106578.10  5066.77  443.447 10.552  443.052 10.559  0.3951721      14.92757  
1 1 1 3   34  9  o 135.314 3.5558  9919.14    521.140  10721.43   910.608  9528.38    635.502  140.636 5.9781  132.609 4.4246  8.026443       7.437403  
1 1 1 3   34  10 o 352.883 8.5969  67595.72   3285.82  68653.76   4648.33  66539.02   4645.39  355.229 12.081  349.690 12.265  5.538574       17.21603  
1 1 1 3   34  11 o 412.280 11.405  92504.20   5092.81  95219.93   6102.39  86272.08   9244.28  417.880 13.483  395.059 21.687  22.82162       25.53671  
1 1 1 3   34  12 o 439.164 12.568  105193.50  5977.90  103978.60  7147.32  108022.00  10905.72 435.923 15.138  440.852 22.919  -4.928497      27.46678  
1 1 1 3   34  13 o 240.613 4.3814  31384.20   1141.84  34403.48   2284.63  30378.89   1318.30  251.586 8.3841  236.683 5.1426  14.90340       9.835640  
1 1 1 3   34  14 o 279.974 6.4015  42552.88   1941.21  47089.70   3057.46  39488.93   2512.61  294.077 9.5991  269.442 8.6097  24.63428       12.89457  
1 1 1 3   34  15 o 333.757 6.5748  60500.77   2376.76  65205.24   4117.67  58150.27   2910.56  345.591 11.001  326.943 8.2193  18.64798       13.73213  
1 1 1 3   34  16 o 133.418 3.2665  9647.47    472.030  11398.01   1016.74  9166.49    532.947  144.848 6.4808  130.032 3.7841  14.81651       7.504658  
1 1 1 3   34  17 o 184.220 4.2043  18405.51   838.885  19269.78   1924.07  18202.66   932.146  187.700 9.4952  183.169 4.6985  4.531113       10.59407  
1 1 1 3   34  18 o 150.425 3.3815  12267.17   550.940  12875.40   1086.52  12056.66   639.212  153.887 6.5187  149.100 3.9582  4.787308       7.626363  
1 1 1 3   34  19 o 43.129  1.7994  1007.70    84.056   1148.19    359.123  999.555    86.458   45.301  7.5875  42.954  1.8584  2.347473       7.811784  
1 1 1 3   34  20 o 53.519  3.8372  1562.13    220.956  1560.98    404.399  1562.62    263.816  53.026  7.2297  53.445  4.6023  -0.4192886     8.570342  
1 1 1 3   34  21 o 39.369  4.9239  855.821    205.366  450.692    355.224  1059.21    251.691  29.267  9.6544  43.787  5.4231  -14.52008      11.07329  
1 1 1 3   34  22 o 24.239  6.8462  330.157    187.650  564.449    328.777  216.960    228.528  31.616  9.1061  21.544  7.7179  10.07144       11.93679  
1 1 1 3   34  23 o 21.861  1.3027  259.867    30.705   116.217    324.783  261.163    30.843   21.784  8.8334  21.915  1.3053  -0.1312084     8.929306  
1 1 1 3   34  24 o 76.167  3.4162  3157.58    281.827  3487.94    564.519  3047.92    325.259  79.241  6.6386  74.651  4.0377  4.589539       7.770126  
1 1 1 3   34  25 o 55.033  4.1578  1664.42    246.006  1817.75    482.547  1610.57    285.957  56.437  8.1286  53.966  4.9473  2.470638       9.515829  
1 1 1 3   34  26 o 73.071  2.8377  2907.18    224.582  2693.59    557.868  2948.49    245.340  68.830  7.6105  73.553  3.0796  -4.723221      8.209962  
1 1 1 3   34  27 o 31.023  6.5851  558.226    214.422  417.717    432.534  604.007    246.895  28.690  10.569  32.127  7.2656  -3.436468      12.82527  
1 1 1 3   34  28 o 75.881  2.6487  3140.39    217.687  2846.17    563.476  3192.00    236.010  70.176  7.5312  76.460  2.8499  -6.283890      8.052351  
1 1 1 3   34  29 o 110.949 3.2903  6755.82    395.398  6545.41    690.042  6858.68    482.456  107.461 5.9519  111.440 3.9971  -3.979393      7.169487  
1 1 1 3   34  30 o 54.328  4.7920  1664.32    279.088  1985.87    509.925  1526.81    333.466  57.147  8.4970  51.391  6.1108  5.756516       10.46615  
1 1 1 3   34  31 o 30.706  7.6089  592.386    251.768  1055.70    461.865  396.509    300.309  38.976  10.642  25.409  8.8707  13.56717       13.85405  
1 1 1 3   34  32 o 23.006  8.6917  319.757    296.245  0.0000     0.0000   319.757    296.245  ?       ?       23.006  8.6917  0.000000       8.691656  
1 1 1 3   34  33 o 28.571  10.753  634.546    452.460  0.0000     0.0000   634.546    452.460  ?       ?       28.571  10.753  0.000000       10.75341  
1 1 1 3   34  34 o 27.279  10.494  612.979    436.767  0.0000     0.0000   612.979    436.767  ?       ?       27.279  10.494  0.000000       10.49417  
1 1 1 3   34  35 o 29.445  1.8121  478.016    57.512   0.0000     0.0000   478.016    57.512   ?       ?       29.445  1.8121  0.000000       1.812133  
1 1 1 3   35  0  o 475.424 9.2416  122566.30  4758.84  122684.60  5829.15  122329.80  8240.31  475.498 11.318  474.341 16.039  1.156952       19.63066  
1 1 1 3   35  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   35  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   35  3  o 492.430 8.7528  131482.09  4668.31  127507.20  7238.73  134312.41  6108.27  484.486 13.795  497.494 11.336  -13.00827      17.85491  
1 1 1 3   35  4  o 168.117 3.4716  15309.20   632.131  15581.63   897.476  15040.98   890.503  169.590 4.8860  166.621 4.9344  2.968811       6.944168  
1 1 1 3   35  5  o 531.866 10.220  153478.70  5887.66  155260.20  10195.71 152587.41  7211.59  533.971 17.629  530.070 12.561  3.901306       21.64638  
1 1 1 3   35  6  o 295.487 7.3566  47333.26   2354.43  47517.11   3329.79  47149.44   3329.55  295.908 10.389  294.759 10.429  1.149353       14.72092  
1 1 1 3   35  7  o 549.645 10.669  164008.00  6351.52  163139.50  7779.66  165744.20  10999.25 547.848 13.111  551.218 18.423  -3.369873      22.61230  
1 1 1 3   35  8  o 324.044 5.6321  56910.20   1976.71  58777.48   2797.07  55047.14   2793.90  329.195 7.8448  318.561 8.0974  10.63342       11.27427  
1 1 1 3   35  9  o 159.653 3.3503  13808.09   579.339  14199.75   823.006  13423.40   815.660  161.876 4.6941  157.387 4.7849  4.489349       6.702946  
1 1 1 3   35  10 o 427.171 10.236  99169.10   4736.01  99216.08   6698.99  99122.16   6696.47  426.515 14.501  426.313 14.503  0.2022095      20.50882  
1 1 1 3   35  11 o 465.072 11.098  117714.10  5590.42  115198.70  7906.65  120228.80  7905.46  458.884 15.908  468.896 15.566  -10.01193      22.25697  
1 1 1 3   35  12 o 506.120 8.3761  139184.80  4591.60  147998.30  9185.96  136249.30  5301.40  519.489 16.326  500.452 9.7804  19.03650       19.03138  
1 1 1 3   35  13 o 350.068 6.5083  66517.28   2467.70  69893.89   4584.85  65140.17   2927.99  357.908 11.827  346.253 7.8074  11.65491       14.17179  
1 1 1 3   35  14 o 149.769 3.9293  12159.00   637.402  11521.82   1227.43  12394.28   745.856  145.379 7.8239  151.187 4.5548  -5.807358      9.053162  
1 1 1 3   35  15 o 221.275 4.7979  26557.98   1149.90  26664.06   1989.51  26504.76   1409.10  221.368 8.2978  220.965 5.8877  0.4028931      10.17439  
1 1 1 3   35  16 o 207.678 3.9688  23385.29   892.734  25046.63   1782.56  22829.09   1031.40  214.578 7.6699  205.149 4.6418  9.429276       8.965123  
1 1 1 3   35  17 o 397.073 6.7868  85715.24   2918.80  90937.27   5836.78  83973.91   3370.50  406.791 13.247  392.744 7.9235  14.04700       15.43618  
1 1 1 3   35  18 o 501.366 8.4472  137061.09  4587.11  141995.70  9173.33  135415.80  5296.90  505.287 16.762  497.750 9.8252  7.536591       19.42911  
1 1 1 3   35  19 o 246.213 4.8868  32916.83   1303.19  33641.87   3406.16  32792.50   1410.51  246.689 12.792  245.691 5.3005  0.9981995      13.84668  
1 1 1 3   35  20 o 119.953 3.1419  7802.85    408.208  7365.22    795.062  7959.51    475.694  116.128 6.3451  121.124 3.6260  -4.995735      7.308093  
1 1 1 3   35  21 o 201.206 3.9328  21984.90   857.070  19841.55   1693.42  22723.01   993.747  190.262 8.2175  204.470 4.4872  -14.20795      9.362838  
1 1 1 3   35  22 o 72.947  3.3049  2889.50    261.114  2355.36    473.154  3123.40    313.109  65.236  6.7962  75.711  3.8307  -10.47425      7.801449  
1 1 1 3   35  23 o 17.483  6.8448  101.424    188.351  99.808     395.317  101.898    214.230  23.307  9.6311  18.319  7.2597  4.987160       12.06070  
1 1 1 3   35  24 o 137.823 3.3521  10338.48   500.384  10516.63   998.186  10278.69   578.293  137.987 6.6789  137.306 3.8886  0.6813965      7.728401  
1 1 1 3   35  25 o 22.508  7.3777  273.125    207.563  186.867    412.848  302.303    240.116  24.813  9.9951  23.786  7.9417  1.026974       12.76606  
1 1 1 3   35  26 o 68.954  3.6099  2604.86    268.668  2830.89    538.091  2529.80    310.086  70.760  7.1175  67.801  4.2439  2.958885       8.286755  
1 1 1 3   35  27 o 25.338  2.6057  353.286    70.492   770.113    440.821  342.347    71.411   35.646  10.621  24.926  2.6876  10.72016       10.95614  
1 1 1 3   35  28 o 70.550  2.7899  2717.19    213.184  2698.76    277.973  2743.51    332.197  70.011  3.6787  70.351  4.3814  -0.3403702     5.720943  
1 1 1 3   35  29 o 62.994  4.3892  2211.07    297.602  1807.52    536.453  2390.48    357.690  54.238  9.4768  65.195  5.1063  -10.95687      10.76497  
1 1 1 3   35  30 o 27.891  1.1686  422.167    35.302   167.880    439.392  423.819    35.416   23.835  10.024  27.946  1.1701  -4.110394      10.09164  
1 1 1 3   35  31 o 18.726  7.6826  121.850    249.224  90.523     442.549  136.399    301.596  22.154  9.6934  20.133  8.3734  2.021101       12.80920  
1 1 1 3   35  32 o 32.278  10.397  773.010    413.162  0.0000     0.0000   773.010    413.162  ?       ?       32.278  10.397  0.000000       10.39692  
1 1 1 3   35  33 o 19.775  8.9270  33.542     406.268  0.0000     0.0000   33.542     406.268  ?       ?       19.775  8.9270  0.000000       8.926997  
1 1 1 3   35  34 o 24.139  10.167  407.591    453.113  0.0000     0.0000   407.591    453.113  ?       ?       24.139  10.167  0.000000       10.16664  
1 1 1 3   35  35 o 25.058  10.386  509.770    461.751  0.0000     0.0000   509.770    461.751  ?       ?       25.058  10.386  0.000000       10.38626  
1 1 1 3   36  0  o 708.472 23.498  274203.00  18031.19 274203.00  18031.19 0.0000     0.0000   708.472 23.498  ?       ?       0.000000       23.49802  
1 1 1 3   36  1  o 192.011 3.7151  19970.55   772.618  20463.00   1092.88  19478.52   1092.42  194.344 5.1919  189.609 5.3193  4.734650       7.433151  
1 1 1 3   36  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   36  3  o 596.604 11.462  193183.30  7406.77  194847.41  9071.19  189854.59  12829.53 598.847 13.986  590.102 20.073  8.744690       24.46471  
1 1 1 3   36  4  f 565.892 10.861  173781.09  6656.89  166529.00  11528.30 177408.80  8153.62  552.739 19.256  571.491 13.173  -18.75122      23.33077  
1 1 1 3   36  5  o 402.231 7.8454  87717.94   3417.92  86528.89   5917.30  88313.27   4187.04  399.029 13.691  403.480 9.5811  -4.451233      16.71086  
1 1 1 3   36  6  o 148.622 3.5928  11965.15   578.336  12716.07   712.335  10512.89   990.618  153.206 4.2928  139.268 6.5673  13.93808       7.845842  
1 1 1 3   36  7  o 690.107 13.184  258952.80  9854.27  260410.09  12069.10 256038.59  17067.76 691.360 16.118  683.393 23.059  7.966614       28.13330  
1 1 1 3   36  8  o 200.307 3.8624  21737.22   837.956  20733.07   1189.26  22727.27   1180.88  195.582 5.6141  204.781 5.3241  -9.198715      7.737171  
1 1 1 3   36  9  o 262.815 6.7176  37457.77   1912.19  35147.18   2704.93  39766.04   2703.56  254.380 9.8175  270.626 9.2235  -16.24577      13.47063  
1 1 1 3   36  10 o 362.495 8.8315  71361.79   3467.41  69319.60   4904.49  73402.60   4902.83  356.738 12.693  367.154 12.329  -10.41586      17.69534  
1 1 1 3   36  11 o 264.328 5.4250  37885.46   1553.14  41580.87   2694.23  36046.21   1900.75  276.617 8.9926  257.739 6.8088  18.87772       11.27950  
1 1 1 3   36  12 o 193.270 3.7214  20242.52   779.005  22666.89   1565.17  19444.21   898.151  204.333 7.0722  189.395 4.3783  14.93802       8.317785  
1 1 1 3   36  13 o 104.118 2.7422  5873.18    309.245  6881.91    622.665  5542.90    356.293  112.647 5.1034  101.140 3.2525  11.50784       6.051756  
1 1 1 3   36  14 f 345.248 6.8889  64745.21   2576.03  68626.14   4461.84  62804.77   3154.97  354.464 11.622  339.755 8.5735  14.70889       14.44197  
1 1 1 3   36  15 o 291.884 5.8694  46250.26   1855.56  48073.16   3214.55  45339.34   2272.36  296.897 9.9964  288.809 7.2643  8.088013       12.35714  
1 1 1 3   36  16 o 93.055  2.8527  4692.40    287.519  4347.63    567.916  4811.23    333.404  89.285  5.9060  94.217  3.2672  -4.931793      6.749489  
1 1 1 3   36  17 o 137.633 3.1368  10267.10   467.611  10280.05   930.508  10262.73   540.867  137.548 6.2459  137.584 3.6296  -0.3550720E-01 7.223911  
1 1 1 3   36  18 f 187.327 4.0069  19034.04   812.975  20220.58   1535.21  18571.63   958.383  192.716 7.3550  184.975 4.7836  7.740707       8.773724  
1 1 1 3   36  19 o 209.019 4.0641  23704.55   920.064  24917.18   1832.11  23295.60   1063.96  213.735 7.9142  207.137 4.7424  6.597778       9.226291  
1 1 1 3   36  20 o 232.374 4.3421  29321.48   1092.84  27767.55   2180.39  29842.82   1262.93  225.151 8.9411  234.331 4.9760  -9.180023      10.23244  
1 1 1 3   36  21 o 117.202 3.1733  7453.11    402.827  7575.48    775.668  7407.92    471.377  117.704 6.1053  116.804 3.7260  0.8995743      7.152470  
1 1 1 3   36  22 o 113.362 3.1779  6977.77    390.197  6547.96    734.927  7146.50    460.456  109.235 6.2376  114.670 3.7074  -5.435417      7.256191  
1 1 1 3   36  23 o 65.421  3.5265  2334.72    248.954  1985.46    498.217  2450.94    287.408  59.398  7.9432  66.969  3.9803  -7.571407      8.884639  
1 1 1 3   36  24 f 104.709 3.0032  5962.27    340.595  5382.35    596.633  6242.61    414.831  98.829  5.5968  107.049 3.5778  -8.220146      6.642684  
1 1 1 3   36  25 o 24.965  7.1011  356.245    201.148  -46.8648   405.580  487.740    231.643  21.321  9.3057  29.019  7.3593  -7.697382      11.86404  
1 1 1 3   36  26 o 37.791  5.6304  806.573    223.425  895.076    444.764  776.701    258.394  38.541  10.410  36.764  6.7374  1.777168       12.39967  
1 1 1 3   36  27 o 47.917  4.6849  1278.06    240.029  1063.84    473.338  1352.22    278.493  41.633  10.499  49.112  5.3205  -7.478622      11.77003  
1 1 1 3   36  28 o 30.975  1.0446  520.186    35.045   531.260    35.424   10.764     240.271  31.303  1.0448  17.014  7.2926  14.28913       7.367100  
1 1 1 3   36  29 o 33.477  1.5729  608.836    57.032   406.131    450.954  612.131    57.493   27.980  10.687  33.567  1.5814  -5.586828      10.80333  
1 1 1 3   36  30 o 16.035  2.6757  144.487    44.832   713.258    447.153  138.711    45.059   33.063  10.828  15.688  2.7522  17.37518       11.17253  
1 1 1 3   36  31 o 39.814  1.6886  864.075    72.818   686.843    470.778  868.419    73.705   31.209  11.088  39.911  1.7050  -8.702606      11.21862  
1 1 1 3   36  32 o 3.8874  1.9492  -101.4597  35.399   0.0000     0.0000   -101.4597  35.399   ?       ?       3.8874  1.9492  0.000000       1.949203  
1 1 1 3   36  33 o 53.791  2.6529  1604.88    154.561  0.0000     0.0000   1604.88    154.561  ?       ?       53.791  2.6529  0.000000       2.652913  
1 1 1 3   36  34 o 27.696  10.782  656.721    465.345  0.0000     0.0000   656.721    465.345  ?       ?       27.696  10.782  0.000000       10.78211  
1 1 1 3   37  0  o 340.454 5.8737  62806.56   2165.90  63652.95   3063.52  61960.69   3062.58  342.646 8.2548  338.055 8.3643  4.590485       11.75171  
1 1 1 3   37  1  o 427.779 7.1357  99185.40   3306.20  99631.39   4676.04  98739.54   4675.32  428.560 10.074  426.634 10.118  1.925537       14.27768  
1 1 1 3   37  2  o 54.607  2.5816  1615.07    152.692  1689.72    217.077  1541.97    214.818  55.735  3.6155  53.222  3.7506  2.512955       5.209475  
1 1 1 3   37  3  o 708.982 13.522  273085.31  10383.82 275370.41  12717.37 268514.81  17985.75 711.386 16.505  700.712 23.698  10.67438       28.87970  
1 1 1 3   37  4  o 124.471 3.3221  8391.98    447.864  7953.97    765.684  8619.78    552.174  121.154 5.8350  126.143 4.0415  -4.989349      7.097987  
1 1 1 3   37  5  o 647.211 15.129  227875.00  10605.72 223386.50  14998.11 232364.30  14999.41 639.293 21.660  652.130 21.236  -12.83643      30.33371  
1 1 1 3   37  6  o 360.268 7.1718  70369.45   2798.50  70989.88   3428.63  69131.14   4843.82  361.753 8.7506  356.670 12.539  5.083252       15.29024  
1 1 1 3   37  7  o 533.624 8.8731  154514.00  5128.38  159415.30  7253.55  149615.09  7251.69  541.518 12.367  524.544 12.764  16.97449       17.77258  
1 1 1 3   37  8  o 431.672 11.922  101321.60  5573.94  103898.50  6670.57  95359.30   10146.67 436.776 14.101  416.021 22.603  20.75488       26.64080  
1 1 1 3   37  9  o 112.849 4.1408  6900.44    506.122  6692.02    715.445  7109.25    716.085  110.937 5.9763  114.366 5.7999  -3.428780      8.328009  
1 1 1 3   37  10 o 155.184 4.6793  13052.72   786.496  13512.87   1113.48  12594.57   1111.07  157.833 6.5135  152.368 6.7325  5.465820       9.367621  
1 1 1 3   37  11 o 322.171 5.5740  56288.55   1945.03  59211.18   3893.95  55316.94   2245.18  329.778 10.902  319.298 6.4921  10.47925       12.68846  
1 1 1 3   37  12 o 432.678 7.2376  101655.60  3391.78  105253.00  6786.60  100457.90  3915.91  438.575 14.287  429.921 8.4096  8.654297       16.57818  
1 1 1 3   37  13 o 311.840 5.4348  52752.38   1835.65  54563.23   3673.44  52149.71   2119.21  316.373 10.720  309.962 6.3124  6.410767       12.44064  
1 1 1 3   37  14 o 220.231 5.3271  26314.66   1270.68  26182.88   2018.10  26401.23   1635.61  219.368 8.4937  220.461 6.8498  -1.092667      10.91161  
1 1 1 3   37  15 o 345.945 7.7249  65089.87   2894.47  67265.80   4531.17  63589.91   3762.08  350.645 11.931  341.401 10.174  9.243774       15.67981  
1 1 1 3   37  16 o 257.329 5.0010  35931.45   1393.84  38993.13   2605.40  34703.82   1649.79  267.479 8.9932  252.782 6.0258  14.69685       10.82533  
1 1 1 3   37  17 o 373.116 6.3743  75661.87   2576.00  74183.24   5150.55  76155.11   2974.79  367.415 12.943  374.113 7.3415  -6.697723      14.87993  
1 1 1 3   37  18 o 305.129 5.8096  50595.11   1919.99  52481.03   5218.35  50299.84   2064.83  307.050 15.744  304.152 6.2679  2.898804       16.94585  
1 1 1 3   37  19 o 156.459 3.4038  13275.32   576.811  12126.65   1146.77  13664.36   667.379  149.192 7.0968  158.702 3.8826  -9.510437      8.089400  
1 1 1 3   37  20 o 141.049 3.4181  10792.97   522.188  10437.62   1075.07  10902.70   597.393  138.105 7.2121  141.727 3.8917  -3.621429      8.195127  
1 1 1 3   37  21 o 22.063  0.9146  263.651    21.856   -299.8984  304.058  266.577    21.912   15.511  7.2571  22.185  0.9119  -6.673975      7.314168  
1 1 1 3   37  22 o 63.041  2.5386  2156.00    173.334  2020.71    425.688  2182.89    189.780  60.375  6.6182  63.422  2.7627  -3.047215      7.171701  
1 1 1 3   37  23 o 62.548  2.6030  2124.08    176.341  1634.86    489.300  2197.11    189.045  53.549  8.7378  63.605  2.7441  -10.05647      9.158543  
1 1 1 3   37  24 o 59.878  2.6638  1948.27    172.758  1761.02    211.661  2321.94    299.007  56.759  3.4595  65.061  4.2668  -8.302345      5.493072  
1 1 1 3   37  25 o 71.488  3.4263  2786.59    265.294  2638.63    522.231  2838.06    307.995  68.451  7.1493  71.956  3.9672  -3.504448      8.176311  
1 1 1 3   37  26 o 56.727  2.4086  1749.91    147.988  1425.25    478.900  1784.19    155.603  49.108  9.3451  57.270  2.5085  -8.161991      9.675961  
1 1 1 3   37  27 o 17.756  7.0349  105.557    201.125  304.939    407.046  41.156     231.337  26.222  10.119  17.355  7.2844  8.867321       12.46790  
1 1 1 3   37  28 o 38.620  1.3557  809.320    56.708   757.019    80.784   860.130    79.623   37.253  2.0095  39.780  1.8480  -2.526417      2.730083  
1 1 1 3   37  29 o 63.893  4.3545  2274.69    299.546  1506.41    538.189  2619.51    360.553  48.684  10.514  68.334  4.9041  -19.65061      11.60160  
1 1 1 3   37  30 o 30.564  7.8749  577.305    262.308  514.325    462.340  607.200    318.537  29.316  10.902  30.986  8.9743  -1.670240      14.12068  
1 1 1 3   37  31 o 6.8024  2.8431  5.3492     35.012   249.772    448.482  3.8504     35.119   24.006  10.113  6.7393  2.8339  17.26646       10.50225  
1 1 1 3   37  32 o 41.063  10.235  1228.07    453.619  0.0000     0.0000   1228.07    453.619  ?       ?       41.063  10.235  0.000000       10.23544  
1 1 1 3   37  33 o 56.970  8.2932  2195.99    496.714  0.0000     0.0000   2195.99    496.714  ?       ?       56.970  8.2932  0.000000       8.293194  
1 1 1 3   37  34 o 18.632  8.6340  -35.4061   414.358  0.0000     0.0000   -35.4061   414.358  ?       ?       18.632  8.6340  0.000000       8.633980  
1 1 1 3   38  0  o 166.127 3.3895  14948.88   609.882  15634.74   863.468  14266.07   861.542  169.880 4.6928  162.271 4.9019  7.608765       6.786097  
1 1 1 3   38  1  o 563.755 9.3005  172374.30  5678.95  184554.80  8032.35  160200.59  8030.15  582.952 12.722  543.012 13.653  39.93951       18.66161  
1 1 1 3   38  2  o 350.808 6.0545  66690.23   2300.48  67208.58   3254.01  66172.28   3252.73  352.056 8.5337  349.328 8.5969  2.728088       12.11329  
1 1 1 3   38  3  o 297.668 6.0984  48017.70   1966.16  47925.96   3402.21  48063.70   2409.21  297.179 10.570  297.759 7.4703  -0.5801697     12.94334  
1 1 1 3   38  4  o 405.546 7.9238  89177.30   3480.52  89873.02   6025.81  88829.00   4263.68  406.630 13.682  404.627 9.7288  2.002869       16.78820  
1 1 1 3   38  5  o 483.896 9.4152  127047.50  4934.58  127499.30  6044.35  126144.50  8544.84  484.528 11.518  481.249 16.393  3.278717       20.03474  
1 1 1 3   38  6  o 346.470 5.9625  65063.97   2237.49  68154.33   3165.16  61976.99   3163.43  354.466 8.2442  337.993 8.6413  16.47244       11.94318  
1 1 1 3   38  7  o 178.615 5.0749  17289.22   981.783  17412.88   1392.18  17166.88   1384.75  179.191 7.1732  177.920 7.1858  1.270676       10.15333  
1 1 1 3   38  8  o 573.028 13.521  178814.30  8392.06  176572.30  11869.28 181055.50  11867.04 567.796 19.300  575.041 19.053  -7.245056      27.12068  
1 1 1 3   38  9  o 360.309 8.7836  70496.64   3427.81  68572.02   4848.57  72419.82   4846.75  354.847 12.615  364.722 12.269  -9.874847      17.59785  
1 1 1 3   38  10 o 169.618 4.2617  15592.22   782.929  15831.91   1275.07  15447.16   991.946  170.814 6.8919  168.788 5.4259  2.025986       8.771522  
1 1 1 3   38  11 o 176.740 3.5364  16926.50   676.969  18510.71   1360.98  16405.67   780.355  184.678 6.8040  173.981 4.1412  10.69797       7.965161  
1 1 1 3   38  12 o 209.214 4.0038  23724.18   907.261  23090.42   1818.13  23934.33   1046.92  206.127 8.1436  210.110 4.6004  -3.983246      9.353225  
1 1 1 3   38  13 o 198.943 3.8252  21452.57   824.248  22941.59   1652.93  20959.77   950.912  205.483 7.4269  196.614 4.4654  8.868881       8.665933  
1 1 1 3   38  14 o 66.047  3.4161  2370.52    243.535  2374.92    402.419  2367.98    305.913  65.907  5.6933  65.945  4.3067  -0.3746033E-01 7.138652  
1 1 1 3   38  15 o 287.378 5.8987  44838.61   1836.03  46197.09   3180.25  44159.46   2248.62  290.986 10.091  285.003 7.2844  5.983673       12.44523  
1 1 1 3   38  16 o 161.507 3.4112  14139.26   596.717  14126.13   1188.30  14143.69   690.025  161.207 6.8057  161.506 3.9446  -0.2996063     7.866255  
1 1 1 3   38  17 o 160.681 3.7294  13999.63   649.040  13495.00   1438.57  14128.60   727.266  157.123 8.4847  161.395 4.1604  -4.271973      9.449782  
1 1 1 3   38  18 o 280.648 5.0137  42767.33   1524.02  40162.40   3041.03  43640.99   1761.14  270.799 10.368  283.385 5.7378  -12.58557      11.85001  
1 1 1 3   38  19 o 209.850 4.1970  23901.26   953.942  22311.73   1792.66  24529.17   1126.72  202.126 8.1885  212.504 4.8953  -10.37796      9.540176  
1 1 1 3   38  20 o 156.622 3.4288  13309.25   581.647  12547.64   1149.44  13571.39   674.358  151.628 6.9990  158.110 3.9379  -6.481750      8.030777  
1 1 1 3   38  21 o 151.529 3.4051  12465.60   558.859  12587.76   1096.99  12422.78   649.458  151.736 6.6749  151.202 3.9657  0.5340271      7.764069  
1 1 1 3   38  22 f 88.916  3.0794  4293.33    296.557  4305.71    566.270  4288.66    348.112  88.519  5.9408  88.820  3.6186  -0.3014984     6.956054  
1 1 1 3   38  23 o 76.155  3.3935  3155.00    279.906  2768.97    547.312  3291.73    325.725  70.423  7.2806  77.735  3.8687  -7.312195      8.244641  
1 1 1 3   38  24 o 116.173 3.1420  7344.37    395.349  7295.46    763.746  7362.28    462.075  114.843 6.1626  116.212 3.6710  -1.369293      7.173153  
1 1 1 3   38  25 o 47.804  4.5060  1263.41    230.555  1173.72    445.472  1296.23    269.449  44.596  9.5127  48.256  5.2394  -3.660324      10.86020  
1 1 1 3   38  26 o 60.585  3.8166  2016.65    249.164  1918.80    491.836  2050.44    288.993  57.679  8.0959  60.948  4.4075  -3.269512      9.217879  
1 1 1 3   38  27 o 65.406  2.6173  2331.05    185.416  2034.39    507.162  2376.82    199.206  59.099  8.1390  66.018  2.7859  -6.918915      8.602618  
1 1 1 3   38  28 o 78.335  2.9004  3354.05    246.084  3137.95    343.201  3582.72    353.038  75.271  4.2268  80.510  4.0617  -5.239639      5.862006  
1 1 1 3   38  29 o 73.654  3.8973  3004.04    309.802  3143.03    575.818  2947.41    367.528  73.351  7.3466  72.595  4.6995  0.7565613      8.721110  
1 1 1 3   38  30 f 25.955  8.0180  411.979    248.133  201.152    442.686  508.559    299.625  24.120  10.098  28.492  8.8122  -4.372871      13.40211  
1 1 1 3   38  31 o 23.907  8.8294  346.199    302.215  0.0000     0.0000   346.199    302.215  ?       ?       23.907  8.8294  0.000000       8.829370  
1 1 1 3   38  32 f 19.983  8.9033  48.556     389.740  0.0000     0.0000   48.556     389.740  ?       ?       19.983  8.9033  0.000000       8.903309  
1 1 1 3   38  33 o 34.672  10.493  955.623    427.782  0.0000     0.0000   955.623    427.782  ?       ?       34.672  10.493  0.000000       10.49315  
1 1 1 3   38  34 o 23.619  10.043  381.733    449.080  0.0000     0.0000   381.733    449.080  ?       ?       23.619  10.043  0.000000       10.04281  
1 1 1 3   39  0  o 282.637 4.9730  43280.68   1522.36  44879.34   2154.05  41685.31   2151.83  287.750 6.9115  277.312 7.1642  10.43735       9.954630  
1 1 1 3   39  1  o 503.370 8.2497  137390.59  4497.77  143057.30  6361.79  131727.50  6359.81  513.350 11.442  492.552 11.921  20.79770       16.52368  
1 1 1 3   39  2  o 192.190 4.3003  20010.31   895.162  21772.91   1544.88  19119.40   1098.34  200.415 7.1169  187.844 5.3984  12.57114       8.932741  
1 1 1 3   39  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 3   39  4  o 200.093 5.4424  21695.86   1179.50  22795.22   1667.48  20594.97   1668.64  205.042 7.5084  194.883 7.9053  10.15926       10.90277  
1 1 1 3   39  5  o 303.740 6.1452  50006.23   2021.67  49423.54   2476.33  51170.74   3500.76  301.896 7.5732  306.995 10.528  -5.099274      12.96920  
1 1 1 3   39  6  o 384.203 9.3302  80118.98   3882.58  75158.73   5492.07  85074.63   5489.53  371.647 13.644  395.515 12.815  -23.86819      18.71805  
1 1 1 3   39  7  o 333.875 8.2059  60485.33   2967.44  59807.86   4198.40  61161.63   4194.79  331.670 11.687  335.419 11.547  -3.748413      16.42898  
1 1 1 3   39  8  o 35.227  5.4202  688.346    200.173  623.504    297.075  742.268    270.905  33.244  8.2813  36.364  7.1330  -3.120598      10.92973  
1 1 1 3   39  9  o 51.637  1.8506  1444.14    103.501  1313.51    239.112  1474.26    114.814  49.019  4.5558  52.172  2.0318  -3.152718      4.988366  
1 1 1 3   39  10 o 364.677 6.2402  72142.84   2464.77  72694.97   3487.30  71591.70   3484.13  365.763 8.8028  362.969 8.8625  2.794434       12.49128  
1 1 1 3   39  11 o 129.294 2.9539  9057.03    413.666  10148.05   838.111  8705.64    475.639  136.782 5.6572  126.751 3.4646  10.03094       6.633817  
1 1 1 3   39  12 o 216.531 4.0433  25413.60   948.252  27976.16   1902.84  24566.96   1093.74  226.916 7.7422  212.857 4.7441  14.05811       9.080132  
1 1 1 3   39  13 o 103.822 2.8109  5840.24    316.081  6003.60    644.838  5788.58    362.633  105.031 5.6896  103.354 3.2395  1.677643       6.547227  
1 1 1 3   39  14 o 73.989  3.2792  2966.82    262.786  2977.06    455.159  2961.70    321.846  73.839  5.7363  73.801  4.0418  0.3860474E-01  7.017157  
1 1 1 3   39  15 o 200.516 4.5074  21807.06   978.921  22858.34   1691.89  21278.01   1200.22  205.004 7.6197  197.988 5.5970  7.016464       9.454463  
1 1 1 3   39  16 o 130.624 3.0974  9247.54    438.213  9243.18    868.449  9249.03    507.568  130.443 6.1469  130.617 3.5878  -0.1741180     7.117312  
1 1 1 3   39  17 f 167.521 3.4735  15214.84   630.232  14328.99   1252.05  15515.46   729.371  162.279 7.1234  169.138 3.9814  -6.859421      8.160579  
1 1 1 3   39  18 o 52.964  2.3566  1520.05    135.185  1622.21    377.626  1505.04    144.781  54.215  6.5647  52.699  2.5365  1.516090       7.037673  
1 1 1 3   39  19 o 101.413 3.0629  5576.48    336.433  5109.26    655.146  5743.82    392.078  96.679  6.2908  102.903 3.5178  -6.224014      7.207593  
1 1 1 3   39  20 o 85.599  3.1006  3974.49    287.463  4087.42    553.217  3932.73    336.451  86.419  5.9466  85.122  3.6493  1.297455       6.977030  
1 1 1 3   39  21 o 108.193 2.9594  6351.98    346.799  5982.93    645.798  6501.53    411.105  104.564 5.7239  109.419 3.4689  -4.854210      6.693027  
1 1 1 3   39  22 o 46.270  4.0065  1173.76    198.805  961.505    363.418  1264.41    237.492  40.965  8.4705  47.942  4.6313  -6.977119      9.653927  
1 1 1 3   39  23 o 87.148  2.9063  4127.17    274.324  4015.25    427.371  4205.60    357.752  85.610  4.6262  87.870  3.7590  -2.259834      5.960865  
1 1 1 3   39  24 o 66.919  3.6062  2447.98    260.416  2937.31    508.609  2274.12    303.170  72.595  6.5387  64.348  4.3759  8.247276       7.867885  
1 1 1 3   39  25 o 80.210  3.3221  3508.26    288.612  3450.56    570.867  3528.07    334.511  78.429  6.7872  80.342  3.8441  -1.913490      7.800230  
1 1 1 3   39  26 o 17.704  6.9933  104.775    198.207  -2.2453    392.665  141.366    229.605  21.384  9.2455  19.444  7.5725  1.939825       11.95085  
1 1 1 3   39  27 o 41.231  5.1634  956.949    225.531  677.655    438.936  1057.13    262.886  33.548  10.707  43.175  5.7658  -9.627052      12.16066  
1 1 1 3   39  28 o 54.040  3.9169  1617.09    227.706  1621.92    389.081  1614.57    280.820  52.912  6.9579  53.675  4.8838  -0.7632828     8.500835  
1 1 1 3   39  29 o 21.276  7.9088  222.191    243.260  374.614    421.423  146.026    297.901  27.006  10.327  20.847  8.4576  6.159603       13.34854  
1 1 1 3   39  30 o 26.036  8.1117  417.299    253.354  283.435    430.361  488.299    313.421  25.009  10.159  27.902  9.0620  -2.892998      13.61323  
1 1 1 3   39  31 o 19.799  8.3897  121.784    311.594  0.0000     0.0000   121.784    311.594  ?       ?       19.799  8.3897  0.000000       8.389657  
1 1 1 3   39  32 o 26.151  2.4871  380.510    69.599   0.0000     0.0000   380.510    69.599   ?       ?       26.151  2.4871  0.000000       2.487122  
1 1 1 3   39  33 o 36.837  10.772  1096.48    456.948  0.0000     0.0000   1096.48    456.948  ?       ?       36.837  10.772  0.000000       10.77170  
1 1 1 3   39  34 f 6.8120  2.8679  4.7087     36.033   0.0000     0.0000   4.7087     36.033   ?       ?       6.8120  2.8679  0.000000       2.867854  
1 1 1 3   40  0  o 600.433 9.8052  195605.70  6376.60  203873.00  9018.79  187341.80  9016.97  612.463 13.596  587.014 14.182  25.44867       19.64621  
1 1 1 3   40  1  o 668.475 12.745  242773.20  9228.01  249184.09  15982.61 239567.30  11302.22 675.153 21.856  663.492 15.727  11.66022       26.92670  
1 1 1 3   40  2  o 554.835 10.566  167091.91  6349.83  177000.00  10997.54 162136.91  7777.17  569.856 17.818  546.207 13.146  23.64948       22.14274  
1 1 1 3   40  3  o 201.329 5.4547  21964.92   1189.45  22418.12   1684.10  21513.83   1680.18  203.333 7.6470  199.185 7.7881  4.147812       10.91468  
1 1 1 3   40  4  o 398.117 7.8141  85955.70   3369.45  86517.80   4127.55  84832.88   5833.68  399.278 9.5443  394.939 13.638  4.339081       16.64579  
1 1 1 3   40  5  o 566.035 13.336  174288.20  8175.98  174277.00  11564.01 174299.50  11561.16 564.746 18.905  564.784 18.899  -0.3796387E-01 26.73202  
1 1 1 3   40  6  o 312.767 7.7136  53063.61   2613.04  54775.19   3697.99  51356.82   3692.82  317.525 10.753  307.426 11.090  10.09885       15.44724  
1 1 1 3   40  7  o 363.189 8.8542  71606.80   3482.98  69485.95   4927.19  73725.05   4924.17  357.310 12.732  368.102 12.351  -10.79172      17.73798  
1 1 1 3   40  8  o 140.815 3.1324  10742.03   477.738  10794.84   678.637  10690.13   672.652  141.136 4.4395  140.450 4.4218  0.6857758      6.265852  
1 1 1 3   40  9  o 394.576 6.7089  84467.07   2867.18  84228.43   4056.15  84705.39   4053.46  393.659 9.5131  394.777 9.4799  -1.118011      13.43013  
1 1 1 3   40  10 o 385.529 7.0374  80675.20   2938.58  82201.05   3855.53  78560.19   4539.25  388.852 9.1544  379.813 11.034  9.038757       14.33730  
1 1 1 3   40  11 o 362.961 6.7554  71510.23   2655.71  69996.29   4932.03  72128.42   3151.62  358.042 12.718  364.358 7.9861  -6.315704      15.01756  
1 1 1 3   40  12 o 149.525 3.3620  12115.73   544.486  12863.38   1059.38  11847.33   634.740  153.942 6.3537  147.841 3.9640  6.101089       7.488791  
1 1 1 3   40  13 o 154.995 3.3174  13018.96   556.915  13581.94   1116.92  12832.68   642.478  158.152 6.5204  153.863 3.8553  4.289490       7.574903  
1 1 1 3   40  14 o 215.109 6.6367  25135.66   1546.25  24821.46   1920.88  25714.00   2606.10  213.576 8.3038  216.688 11.142  -3.112823      13.89584  
1 1 1 3   40  15 o 378.719 6.9934  77963.88   2868.65  74904.13   5321.77  79217.05   3405.81  369.419 13.300  381.475 8.2430  -12.05542      15.64765  
1 1 1 3   40  16 o 194.275 4.0558  20467.89   853.419  20880.22   1614.70  20308.07   1005.31  195.882 7.6108  193.462 4.7977  2.419891       8.996764  
1 1 1 3   40  17 o 185.986 3.6728  18757.02   739.848  18817.66   1473.42  18736.58   855.521  185.928 7.3166  185.843 4.2502  0.8447266E-01  8.461546  
1 1 1 3   40  18 o 164.759 3.4532  14720.18   616.231  14111.68   1227.85  14925.05   712.457  160.982 7.0420  165.867 3.9658  -4.884491      8.081932  
1 1 1 3   40  19 o 73.517  3.1587  2930.93    251.513  2331.38    474.117  3165.73    296.703  65.054  6.8308  76.390  3.5861  -11.33562      7.714942  
1 1 1 3   40  20 o 91.009  2.8149  4491.80    277.467  4506.62    581.034  4487.43    315.802  90.747  5.9444  90.946  3.2060  -0.1984634     6.753810  
1 1 1 3   40  21 o 104.726 2.9064  5951.60    329.667  5937.97    671.456  5955.92    378.416  104.095 5.9806  104.730 3.3360  -0.6349792     6.848150  
1 1 1 3   40  22 o 70.744  2.2449  2714.77    172.009  2966.41    276.456  2555.82    219.718  73.866  3.4555  68.600  2.9571  5.266380       4.548092  
1 1 1 3   40  23 o 104.662 2.8985  5953.47    328.573  5437.64    611.708  6162.66    389.538  99.360  5.7081  106.417 3.3796  -7.057159      6.633577  
1 1 1 3   40  24 o 62.258  3.6200  2120.36    243.051  2154.76    491.224  2109.20    279.686  61.775  7.4952  61.989  4.1903  -0.2141800     8.587036  
1 1 1 3   40  25 o 58.879  3.8725  1903.58    245.579  1783.49    483.431  1945.35    285.105  55.644  8.2731  59.391  4.4648  -3.747066      9.400976  
1 1 1 3   40  26 o 39.003  5.2700  855.580    216.927  341.493    432.226  1028.67    250.801  27.405  10.464  42.748  5.5475  -15.34345      11.84341  
1 1 1 3   40  27 o 59.063  3.8171  1923.27    242.878  2425.03    495.733  1764.79    278.608  65.000  7.1602  56.337  4.6062  8.663239       8.513863  
1 1 1 3   40  28 o 59.867  3.9836  1985.12    256.829  1589.55    504.088  2123.81    298.473  50.970  9.4800  61.747  4.4937  -10.77745      10.49116  
1 1 1 3   40  29 o 111.457 3.3452  6831.85    403.833  5919.47    789.129  7155.56    470.046  100.708 7.2837  113.807 3.8133  -13.09944      8.221540  
1 1 1 3   40  30 o 57.351  2.7051  1806.31    168.032  1284.88    508.492  1870.23    178.033  43.301  10.861  58.322  2.8184  -15.02085      11.22071  
1 1 1 3   40  31 o 65.432  4.9776  2482.98    350.118  0.0000     0.0000   2482.98    350.118  ?       ?       65.432  4.9776  0.000000       4.977618  
1 1 1 3   40  32 o 28.402  10.008  590.659    382.770  0.0000     0.0000   590.659    382.770  ?       ?       28.402  10.008  0.000000       10.00819  
1 1 1 3   40  33 o 16.007  7.6425  -272.9158  370.652  0.0000     0.0000   -272.9158  370.652  ?       ?       16.007  7.6425  0.000000       7.642467  
1 1 1 3   40  34 o 20.479  9.0073  171.386    386.506  0.0000     0.0000   171.386    386.506  ?       ?       20.479  9.0073  0.000000       9.007333  
1 1 1 3   41  0  o 725.654 17.006  286913.69  13365.85 291275.41  18900.33 282550.19  18904.00 728.976 23.938  717.838 24.314  11.13751       34.12031  
1 1 1 3   41  1  o 705.956 13.357  270930.59  10213.18 276243.59  17689.29 268273.91  12508.70 710.183 22.997  701.792 16.456  8.391724       28.27843  
1 1 1 3   41  2  o 514.514 12.099  143829.30  6742.66  149355.20  9536.85  138306.50  9534.27  523.512 16.819  503.650 17.478  19.86145       24.25625  
1 1 1 3   41  3  o 606.754 12.995  200162.41  8540.09  204541.09  11158.92 193971.91  13268.11 612.539 16.820  595.531 20.570  17.00806       26.57120  
1 1 1 3   41  4  o 384.527 13.174  80422.88   5486.55  80422.88   5486.55  0.0000     0.0000   384.527 13.174  ?       ?       0.000000       13.17353  
1 1 1 3   41  5  o 433.392 10.399  102017.00  4881.44  98606.18   6904.79  105425.20  6902.01  425.416 14.985  439.968 14.484  -14.55130      20.84089  
1 1 1 3   41  6  o 578.757 13.639  182401.80  8549.35  182029.80  12092.09 182773.70  12089.12 576.557 19.364  577.749 19.319  -1.191650      27.35284  
1 1 1 3   41  7  o 231.427 4.9642  29028.55   1244.32  27577.70   2160.92  29748.26   1521.97  225.369 8.8527  234.234 5.9991  -8.865814      10.69388  
1 1 1 3   41  8  o 284.244 5.0482  43796.63   1554.16  43902.04   2199.38  43691.51   2196.45  284.450 7.1388  283.766 7.1464  0.6834106      10.10118  
1 1 1 3   41  9  o 497.659 8.8415  134572.91  4765.74  134381.41  6235.73  134841.80  7389.84  496.709 11.591  496.986 13.728  -0.2770691     17.96712  
1 1 1 3   41  10 o 270.546 4.8337  39683.38   1416.42  39786.70   2005.23  39580.49   2001.03  270.746 6.8380  270.043 6.8415  0.7028198      9.672853  
1 1 1 3   41  11 o 206.855 4.5876  23198.20   1027.82  22366.80   1782.33  23612.44   1258.09  202.875 8.1113  208.639 5.5673  -5.763718      9.838075  
1 1 1 3   41  12 o 156.753 3.2805  13315.24   556.960  14512.66   1136.25  12936.54   638.991  163.502 6.4163  154.490 3.8188  9.011536       7.466680  
1 1 1 3   41  13 o 136.825 3.1976  10145.22   473.866  11004.82   930.364  9844.10    550.642  142.382 6.0329  134.762 3.7725  7.620529       7.115343  
1 1 1 3   41  14 o 172.392 5.0078  16123.13   935.052  16207.68   1323.72  16038.92   1321.01  172.690 7.0772  171.786 7.0998  0.9033203      10.02467  
1 1 1 3   41  15 o 270.215 4.8603  39614.65   1422.46  40947.85   2845.54  39170.51   1642.40  273.997 9.5884  268.609 5.6453  5.387939       11.12688  
1 1 1 3   41  16 o 50.146  3.5563  1370.13    191.902  1068.82    350.745  1498.86    229.260  43.679  7.6951  52.414  4.0703  -8.735268      8.705292  
1 1 1 3   41  17 f 96.189  2.7417  5014.37    285.632  4929.44    595.376  5039.77    325.542  95.069  5.8099  96.421  3.1172  -1.351906      6.593333  
1 1 1 3   41  18 o 151.135 3.2893  12385.57   538.441  11378.28   1066.38  12730.25   623.799  144.559 6.8108  153.194 3.7595  -8.634125      7.779489  
1 1 1 3   41  19 o 163.064 3.5994  14426.73   635.715  14133.80   1207.94  14538.94   747.626  160.993 6.9274  163.639 4.2182  -2.646423      8.110593  
1 1 1 3   41  20 o 115.777 3.0691  7272.13    384.858  6614.74    749.730  7507.34    448.453  109.924 6.3238  117.601 3.5207  -7.677460      7.237821  
1 1 1 3   41  21 o 115.781 3.0618  7277.08    383.956  6686.27    759.979  7479.56    444.912  110.361 6.3852  117.338 3.5008  -6.976654      7.281929  
1 1 1 3   41  22 o 54.636  3.7469  1631.99    220.393  1678.10    466.190  1618.72    250.106  54.486  8.1500  54.334  4.2847  0.1518936      9.207676  
1 1 1 3   41  23 o 99.410  3.1403  5375.20    338.116  5164.71    682.292  5443.72    389.276  96.528  6.5650  99.974  3.5950  -3.445877      7.484882  
1 1 1 3   41  24 o 23.125  7.0319  299.497    191.781  15.012     394.738  387.396    219.418  21.874  9.3609  26.025  7.4214  -4.151007      11.94586  
1 1 1 3   41  25 o 36.540  1.4085  724.026    55.743   407.423    406.404  730.096    56.275   28.371  10.276  36.693  1.4160  -8.322313      10.37276  
1 1 1 3   41  26 o 20.937  7.2303  228.208    199.248  353.188    403.005  187.775    229.223  27.118  10.160  20.492  7.6654  6.626682       12.72726  
1 1 1 3   41  27 o 65.836  2.5684  2362.56    183.146  2744.99    517.937  2307.91    195.796  69.238  7.0029  65.034  2.7797  4.203880       7.534386  
1 1 1 3   41  28 o 52.312  4.1929  1522.12    235.567  2129.68    484.445  1333.98    269.585  60.298  7.5856  48.602  5.2020  11.69617       9.197923  
1 1 1 3   41  29 o 26.023  1.8046  370.188    50.550   146.095    431.884  373.301    50.899   23.518  9.9164  26.132  1.8095  -2.613243      10.08019  
1 1 1 3   41  30 o 31.353  7.5746  614.375    254.344  572.526    447.156  634.391    309.242  29.627  10.771  31.296  8.7710  -1.668642      13.89063  
1 1 1 3   41  31 o 38.246  9.9137  1035.07    414.065  0.0000     0.0000   1035.07    414.065  ?       ?       38.246  9.9137  0.000000       9.913732  
1 1 1 3   41  32 o 39.581  10.048  1150.79    431.525  0.0000     0.0000   1150.79    431.525  ?       ?       39.581  10.048  0.000000       10.04805  
1 1 1 3   41  33 o 28.184  10.468  639.300    425.958  0.0000     0.0000   639.300    425.958  ?       ?       28.184  10.468  0.000000       10.46769  
1 1 1 3   41  34 o 34.157  10.740  995.609    443.003  0.0000     0.0000   995.609    443.003  ?       ?       34.157  10.740  0.000000       10.74016  
1 1 1 3   42  0  o 469.812 9.1007  119762.50  4630.96  122917.30  8020.40  118184.70  5671.98  475.081 15.587  466.474 11.226  8.606812       19.20885  
1 1 1 3   42  1  o 187.212 5.1952  18992.63   1053.42  19916.51   1490.74  18071.16   1488.79  191.656 7.1814  182.551 7.5297  9.105637       10.40527  
1 1 1 3   42  2  o 217.643 4.7046  25666.37   1109.01  25935.10   1360.59  25134.39   1914.33  218.751 5.7426  215.258 8.2109  3.493225       10.01975  
1 1 1 3   42  3  o 151.354 4.6311  12412.68   759.179  12412.68   759.179  0.0000     0.0000   151.354 4.6311  ?       ?       0.000000       4.631051  
1 1 1 3   42  4  o 26.859  6.6697  406.650    193.143  592.902    282.505  243.186    264.660  32.425  8.0748  23.128  8.3035  9.297400       11.58230  
1 1 1 3   42  5  o 145.253 4.5269  11432.74   712.195  11667.62   1012.89  11203.08   1001.59  146.694 6.3750  143.743 6.4333  2.951508       9.056933  
1 1 1 3   42  6  o 335.250 6.7379  60955.00   2446.59  59609.40   4241.34  61626.03   2995.14  331.028 11.830  336.972 8.2064  -5.943481      14.39732  
1 1 1 3   42  7  o 451.048 8.2074  110442.00  4009.60  111905.00  5249.99  108394.30  6211.32  453.645 10.685  446.065 12.856  7.579926       16.71680  
1 1 1 3   42  8  o 547.907 9.8839  163216.09  5865.48  164027.70  7668.68  162071.91  9105.12  548.508 12.908  544.445 15.441  4.062988       20.12543  
1 1 1 3   42  9  o 123.253 3.0022  8230.25    400.781  8244.89    568.499  8215.78    565.095  123.337 4.2556  123.120 4.2376  0.2174683      6.005672  
1 1 1 3   42  10 o 90.342  2.6055  4421.48    254.946  4695.49    389.207  4215.55    337.412  93.081  3.8606  88.201  3.5320  4.879883       5.232478  
1 1 1 3   42  11 o 336.636 7.3111  61551.25   2665.73  65130.37   4180.45  59098.64   3460.57  345.610 11.168  329.494 9.6968  16.11578       14.79011  
1 1 1 3   42  12 o 159.844 3.3383  13846.15   577.947  14908.73   1163.84  13498.35   665.847  165.707 6.4846  157.804 3.8957  7.903076       7.564822  
1 1 1 3   42  13 o 104.195 3.3229  5883.76    375.005  6032.67    657.857  5812.08    456.423  105.267 5.7922  103.539 4.0700  1.728210       7.079131  
1 1 1 3   42  14 o 179.277 4.1711  17427.63   809.926  16817.25   1407.16  17730.01   990.432  175.872 7.3872  180.771 5.0585  -4.899780      8.953152  
1 1 1 3   42  15 o 159.099 3.3991  13720.65   585.736  13232.16   1173.34  13882.79   675.991  156.015 6.9437  160.013 3.9004  -3.998413      7.964158  
1 1 1 3   42  16 o 118.899 3.0100  7662.12    387.633  7628.85    770.872  7673.38    448.455  118.343 6.0341  118.970 3.4803  -0.6266785     6.965813  
1 1 1 3   42  17 o 76.307  3.0257  3156.25    250.071  3004.50    475.612  3214.23    293.988  74.111  5.9760  76.991  3.5255  -2.880646      6.938407  
1 1 1 3   42  18 o 122.545 3.0948  8142.25    410.771  8353.83    801.233  8066.81    478.429  123.929 5.9692  121.950 3.6222  1.979530       6.982199  
1 1 1 3   42  19 o 95.558  2.9118  4951.51    301.369  4772.20    593.069  5013.92    349.914  93.442  5.8901  96.137  3.3605  -2.695709      6.781291  
1 1 1 3   42  20 f 119.929 3.0537  7803.96    396.659  7168.88    777.970  8027.05    461.094  114.422 6.3017  121.595 3.5011  -7.172592      7.208993  
1 1 1 3   42  21 f 178.463 3.6234  17309.87   700.388  15089.66   1392.85  18061.24   810.282  165.562 7.7673  182.202 4.1059  -16.63983      8.785791  
1 1 1 3   42  22 o 43.412  1.9572  1022.05    92.027   837.004    428.475  1030.99    94.226   37.940  10.205  43.600  1.9953  -5.660770      10.39787  
1 1 1 3   42  23 o 135.271 3.2820  9958.62    480.849  10359.93   965.920  9826.40    554.431  136.981 6.5104  134.254 3.8128  2.726929       7.544765  
1 1 1 3   42  24 o 22.701  7.2205  283.303    199.749  329.336    398.675  267.874    230.810  26.946  10.103  22.715  7.7853  4.230328       12.75493  
1 1 1 3   42  25 o 34.113  5.9943  663.063    213.392  278.357    418.631  798.112    248.035  26.243  10.224  37.406  6.3491  -11.16298      12.03480  
1 1 1 3   42  26 o 64.277  2.4965  2249.00    173.803  2334.30    505.045  2237.53    185.110  63.837  7.4442  64.090  2.6667  -0.2531395     7.907456  
1 1 1 3   42  27 o 39.937  5.2485  901.549    221.532  483.926    444.842  1039.28    255.464  29.700  10.752  42.790  5.6503  -13.08986      12.14592  
1 1 1 3   42  28 o 16.050  2.5164  143.886    42.307   430.392    421.364  140.968    42.521   28.170  10.421  15.875  2.5601  12.29506       10.73111  
1 1 1 3   42  29 o 27.076  7.6830  445.361    235.762  480.029    434.865  430.929    280.576  28.747  10.596  26.722  8.5637  2.025604       13.62399  
1 1 1 3   42  30 o 21.856  7.8066  272.750    233.647  173.861    435.806  312.640    276.788  23.146  9.8687  23.275  8.4725  -0.1284218     13.00668  
1 1 1 3   42  31 f 30.503  10.337  672.901    406.844  0.0000     0.0000   672.901    406.844  ?       ?       30.503  10.337  0.000000       10.33682  
1 1 1 3   42  32 o 32.924  10.484  835.274    421.065  0.0000     0.0000   835.274    421.065  ?       ?       32.924  10.484  0.000000       10.48446  
1 1 1 3   42  33 o 31.267  10.605  807.255    428.237  0.0000     0.0000   807.255    428.237  ?       ?       31.267  10.605  0.000000       10.60506  
1 1 1 3   42  34 o 24.854  10.113  469.735    427.447  0.0000     0.0000   469.735    427.447  ?       ?       24.854  10.113  0.000000       10.11314  
1 1 1 3   43  0  o 337.282 8.2708  61712.35   3021.41  61294.65   4275.15  62129.19   4270.70  335.845 11.753  338.132 11.661  -2.287628      16.55634  
1 1 1 3   43  1  o 210.631 4.5639  24039.02   1041.18  24638.80   1277.44  22852.08   1797.06  213.216 5.5316  205.249 8.0837  7.967117       9.795128  
1 1 1 3   43  2  o 598.386 14.134  194927.50  9160.54  194927.50  9160.54  0.0000     0.0000   598.386 14.134  ?       ?       0.000000       14.13413  
1 1 1 3   43  3  f 435.325 10.398  102932.90  4902.46  98371.68   6932.57  107495.50  6933.69  424.880 15.065  444.264 14.410  -19.38367      20.84658  
1 1 1 3   43  4  o 401.013 9.6475  87323.85   4190.27  88387.95   5927.09  86260.58   5924.79  402.914 13.582  398.010 13.744  4.903900       19.32256  
1 1 1 3   43  5  o 104.182 3.2276  5879.92    364.200  6073.02    644.886  5789.48    441.315  105.693 5.6539  103.370 3.9417  2.323044       6.892255  
1 1 1 3   43  6  o 376.225 6.3552  76761.39   2589.69  80780.98   3663.29  72745.80   3661.46  385.705 8.7689  365.967 9.2372  19.73853       12.73657  
1 1 1 3   43  7  o 162.369 3.3366  14283.37   586.779  14293.56   832.276  14273.31   827.408  162.391 4.7319  162.277 4.7075  0.1143341      6.674698  
1 1 1 3   43  8  o 246.690 4.5266  32985.85   1209.48  31470.47   1711.86  34496.25   1709.06  240.840 6.5625  252.174 6.2573  -11.33354      9.067531  
1 1 1 3   43  9  o 74.405  2.7877  2999.20    224.654  3009.07    328.637  2990.53    307.802  74.399  4.0941  74.186  3.8439  0.2132339      5.615772  
1 1 1 3   43  10 o 127.991 3.0215  8875.67    418.856  8398.32    597.700  9336.30    587.146  124.467 4.4336  131.243 4.1305  -6.775558      6.059512  
1 1 1 3   43  11 f 188.786 3.6782  19316.10   752.103  19324.15   1066.42  19308.14   1060.87  188.751 5.2164  188.674 5.1913  0.7675171E-01  7.359378  
1 1 1 3   43  12 o 243.783 4.4462  32224.60   1173.99  32073.40   2349.68  32274.90   1355.27  242.754 8.9366  243.923 5.1298  -1.169891      10.30428  
1 1 1 3   43  13 o 234.363 5.4442  29805.87   1381.97  29032.79   2195.12  30313.47   1778.71  230.930 8.7762  236.199 6.9527  -5.269608      11.19655  
1 1 1 3   43  14 o 142.426 3.7177  10996.73   573.493  10946.55   995.345  11021.67   701.669  141.952 6.4738  142.551 4.5446  -0.5988312     7.909724  
1 1 1 3   43  15 o 220.134 4.1491  26279.76   989.255  26884.30   1980.95  26078.90   1141.82  222.195 8.2313  219.238 4.8085  2.956863       9.532921  
1 1 1 3   43  16 o 166.558 3.4729  15040.26   626.513  13454.33   1249.79  15572.57   724.062  157.228 7.3390  169.452 3.9451  -12.22441      8.332163  
1 1 1 3   43  17 o 141.433 3.2838  10845.17   503.029  10654.52   977.087  10913.92   586.762  139.958 6.4456  141.852 3.8191  -1.894623      7.492098  
1 1 1 3   43  18 o 84.712  2.9405  3890.60    269.796  3283.75    523.205  4110.42    314.891  77.420  6.2939  87.059  3.3395  -9.638504      7.125016  
1 1 1 3   43  19 o 89.918  2.9532  4384.82    287.612  4203.31    556.952  4450.83    335.861  87.656  5.9007  90.570  3.4238  -2.914314      6.822040  
1 1 1 3   43  20 o 174.147 3.7063  16473.16   699.079  14342.89   1325.82  17293.51   822.746  161.729 7.5688  178.344 4.2593  -16.61525      8.684903  
1 1 1 3   43  21 o 251.246 4.5953  34396.59   1250.49  31638.66   2495.21  35321.59   1445.06  238.469 9.6606  254.365 5.2452  -15.89565      10.99269  
1 1 1 3   43  22 o 28.885  6.9226  478.247    213.755  639.176    431.613  425.950    246.048  33.699  10.602  27.393  7.8740  6.305414       13.20615  
1 1 1 3   43  23 o 88.812  3.1956  4292.21    307.394  4283.51    612.401  4295.14    355.411  87.841  6.4826  88.770  3.6965  -0.9294205     7.462484  
1 1 1 3   43  24 o 51.739  2.4980  1454.95    139.985  1548.97    463.989  1445.54    146.827  51.792  8.5711  51.494  2.6415  0.2981262      8.968850  
1 1 1 3   43  25 o 28.862  6.7899  483.373    208.706  318.992    411.568  540.276    242.150  26.789  10.215  30.425  7.4158  -3.636074      12.62294  
1 1 1 3   43  26 o 41.693  5.0322  974.628    222.649  1349.64    445.438  849.730    257.067  47.678  8.9546  38.488  6.3909  9.190605       11.00126  
1 1 1 3   43  27 f 85.695  2.7879  4008.96    258.761  3748.28    611.052  4065.92    285.637  80.886  7.0452  86.232  3.0583  -5.346642      7.680389  
1 1 1 3   43  28 o 59.459  4.1293  1963.46    264.277  1971.33    505.753  1960.50    309.962  57.469  8.3711  59.124  4.8841  -1.654621      9.691691  
1 1 1 3   43  29 o 34.381  1.0621  641.272    39.552   -208.5517  426.436  648.646    39.723   19.212  8.8519  34.578  1.0606  -15.36621      8.915194  
1 1 1 3   43  30 o ?       ?       -292.2885  36.353   -452.1867  415.489  -291.0550  36.493   16.470  7.9234  ?       ?       0.000000       7.923354  
1 1 1 3   43  31 o 18.802  8.5737  -67.7872   386.397  0.0000     0.0000   -67.7872   386.397  ?       ?       18.802  8.5737  0.000000       8.573689  
1 1 1 3   43  32 o 28.394  9.8959  597.401    373.659  0.0000     0.0000   597.401    373.659  ?       ?       28.394  9.8959  0.000000       9.895929  
1 1 1 3   43  33 o 30.547  10.106  746.291    389.120  0.0000     0.0000   746.291    389.120  ?       ?       30.547  10.106  0.000000       10.10588  
1 1 1 3   44  0  o 71.091  3.0640  2737.66    235.928  2820.59    295.341  2591.41    392.197  72.055  3.7978  68.946  5.2924  3.108521       6.514012  
1 1 1 3   44  1  o 518.334 12.346  146110.41  6931.44  146110.41  6931.44  0.0000     0.0000   518.334 12.346  ?       ?       0.000000       12.34649  
1 1 1 3   44  2  o 535.252 12.646  155855.09  7331.07  158218.91  10368.00 153491.59  10367.39 538.109 17.789  529.936 18.062  8.172668       25.35161  
1 1 1 3   44  3  o 354.064 8.6186  68038.95   3305.13  69866.46   4675.40  66213.37   4672.92  358.413 12.044  348.876 12.366  9.536438       17.26222  
1 1 1 3   44  4  o 206.975 4.5979  23214.94   1030.73  23108.70   1789.99  23267.64   1260.72  206.362 8.0085  207.176 5.6184  -0.8146973     9.782745  
1 1 1 3   44  5  o 273.571 5.2456  40568.55   1554.30  41226.39   2380.48  40079.68   2052.12  275.611 7.9744  271.820 6.9703  3.790527       10.59132  
1 1 1 3   44  6  o 364.509 6.2601  72059.95   2471.50  70733.27   3495.83  73385.71   3494.62  360.864 8.9441  367.588 8.7775  -6.723999      12.53161  
1 1 1 3   44  7  o 482.412 8.0390  126367.30  4200.42  124369.60  5940.62  128364.60  5939.96  477.924 11.476  485.581 11.294  -7.656799      16.10164  
1 1 1 3   44  8  o 298.187 5.2095  48211.61   1682.50  49486.75   2381.01  46939.90   2377.82  301.927 7.2810  294.037 7.4663  7.890198       10.42873  
1 1 1 3   44  9  o 157.324 3.3049  13411.09   563.147  13562.14   802.405  13264.47   790.547  158.165 4.6840  156.420 4.6662  1.744705       6.611593  
1 1 1 3   44  10 o 176.787 3.6121  16937.46   691.637  16189.45   982.406  17672.57   973.894  172.772 5.2499  180.526 4.9808  -7.753815      7.236690  
1 1 1 3   44  11 f 262.178 4.7316  37274.63   1343.61  37115.36   1902.59  37433.08   1897.74  261.441 6.7189  262.562 6.6732  -1.121429      9.469737  
1 1 1 3   44  12 o 345.651 5.9589  64851.18   2230.86  65546.79   4465.06  64619.77   2575.33  346.309 11.904  344.900 6.8940  1.409668       13.75618  
1 1 1 3   44  13 o 264.334 5.5089  37919.94   1577.21  39175.95   2734.26  37293.62   1930.81  268.130 9.4151  261.996 6.8042  6.134521       11.61637  
1 1 1 3   44  14 o 357.041 7.0652  69298.59   2732.21  73645.23   4736.10  67130.45   3344.93  366.789 11.922  351.046 8.7974  15.74237       14.81614  
1 1 1 3   44  15 o 172.396 3.5576  16112.28   664.284  16131.70   1328.57  16105.80   767.049  172.225 7.1223  172.331 4.1095  -0.1060333     8.222819  
1 1 1 3   44  16 o 332.496 5.7952  60065.44   2087.01  59941.45   4174.51  60106.75   2409.77  330.522 11.661  332.431 6.6928  -1.908173      13.44511  
1 1 1 3   44  17 o 283.393 5.0682  43616.57   1555.66  43499.35   3109.16  43655.71   1796.74  281.802 10.187  283.387 5.8538  -1.584442      11.74876  
1 1 1 3   44  18 o 64.102  3.0703  2228.10    213.170  2317.04    418.003  2196.84    247.818  64.979  6.0073  63.532  3.6163  1.446236       7.011847  
1 1 1 3   44  19 o 100.326 2.9582  5459.25    321.454  5898.25    627.737  5303.21    374.248  103.930 5.5972  98.852  3.4954  5.077408       6.598993  
1 1 1 3   44  20 o 21.249  1.2748  245.486    29.204   246.199    29.562   216.562    188.369  21.279  1.2888  20.679  7.0335  0.5996361      7.150566  
1 1 1 3   44  21 o 28.010  5.5086  443.538    161.166  327.284    288.248  496.410    194.390  25.334  8.6994  29.549  6.2680  -4.215658      10.72227  
1 1 1 3   44  22 o 109.034 3.2209  6465.12    380.370  6210.01    771.537  6547.04    437.193  105.910 6.7611  109.653 3.6811  -3.742638      7.698308  
1 1 1 3   44  23 o 43.265  4.7329  1036.55    218.170  437.463    454.718  1215.70    248.660  29.860  10.861  46.844  4.9772  -16.98352      11.94714  
1 1 1 3   44  24 o 69.259  3.6135  2625.24    270.128  2925.12    523.026  2516.15    315.457  72.210  6.7663  67.647  4.3282  4.563179       8.032175  
1 1 1 3   44  25 o 31.175  6.4557  560.677    210.808  655.754    416.103  527.847    244.510  33.389  10.394  30.044  7.5291  3.345390       12.83475  
1 1 1 3   44  26 o 112.963 3.2617  6975.20    399.067  6944.13    791.072  6985.80    462.187  110.947 6.6131  112.869 3.7807  -1.921288      7.617542  
1 1 1 3   44  27 o 50.117  4.3827  1398.00    235.508  1997.45    476.129  1203.84    270.979  58.501  7.7015  46.101  5.5377  12.39985       9.485766  
1 1 1 3   44  28 o 3.8163  1.9330  -142.1749  40.064   559.231    424.594  -148.4758  40.243   30.569  10.555  3.7645  1.9100  26.80488       10.72622  
1 1 1 3   44  29 o 32.259  6.4036  618.909    215.851  719.660    447.034  588.278    246.488  33.095  10.826  31.020  7.4335  2.074638       13.13259  
1 1 1 3   44  30 o 17.088  7.4649  15.260     261.502  0.0000     0.0000   15.260     261.502  ?       ?       17.088  7.4649  0.000000       7.464878  
1 1 1 3   44  31 o 44.162  9.0441  1321.56    418.046  0.0000     0.0000   1321.56    418.046  ?       ?       44.162  9.0441  0.000000       9.044120  
1 1 1 3   44  32 o 28.291  10.297  608.494    408.803  0.0000     0.0000   608.494    408.803  ?       ?       28.291  10.297  0.000000       10.29690  
1 1 1 3   44  33 o 24.305  9.9323  417.098    414.514  0.0000     0.0000   417.098    414.514  ?       ?       24.305  9.9323  0.000000       9.932259  
1 1 1 3   45  0  o 520.129 17.486  147826.00  9850.68  147826.00  9850.68  0.0000     0.0000   520.129 17.486  ?       ?       0.000000       17.48578  
1 1 1 3   45  1  o 391.160 9.4221  83080.00   3991.84  79559.38   5644.24  86603.32   5646.40  382.231 13.634  398.882 13.069  -16.65100      18.88607  
1 1 1 3   45  2  o 98.831  3.9997  5292.22    428.145  4786.73    604.429  5801.26    606.555  93.774  5.9822  103.310 5.4399  -9.536171      8.085754  
1 1 1 3   45  3  o 386.646 7.6035  81109.81   3184.19  83681.80   5518.20  79825.93   3898.76  392.029 12.996  383.387 9.3890  8.642792       16.03273  
1 1 1 3   45  4  o 193.366 3.7502  20258.57   785.414  20136.53   1111.63  20380.22   1109.86  192.735 5.3251  193.900 5.2847  -1.164154      7.502331  
1 1 1 3   45  5  o 428.085 7.2551  99435.73   3363.89  98535.59   4757.51  100335.70  4757.01  425.721 10.318  429.607 10.223  -3.886292      14.52488  
1 1 1 3   45  6  o 696.045 11.423  263747.81  8611.60  268562.91  12179.20 258933.50  12178.09 700.591 16.050  687.784 16.348  12.80658       22.90984  
1 1 1 3   45  7  f 375.451 6.4384  76477.68   2618.18  75048.05   3703.07  77906.70   3702.27  371.574 9.2012  378.611 9.0283  -7.036713      12.89080  
1 1 1 3   45  8  o 286.702 5.0374  44568.03   1564.24  46569.17   2213.98  42573.39   2210.38  292.907 6.9787  280.030 7.2877  12.87704       10.09024  
1 1 1 3   45  9  o 203.892 3.9299  22531.10   867.861  22151.40   1230.37  22907.08   1224.33  202.083 5.6213  205.508 5.5005  -3.425079      7.864739  
1 1 1 3   45  10 o 470.077 7.9075  120091.30  4026.05  117710.60  5694.29  122471.00  5693.10  464.536 11.317  473.904 11.091  -9.367645      15.84632  
1 1 1 3   45  11 o 131.630 3.0510  9388.50    434.980  9460.70    622.893  9319.77    607.699  132.096 4.3536  131.111 4.2794  0.9849701      6.104681  
1 1 1 3   45  12 o 91.577  2.7728  4544.00    275.024  3868.93    559.260  4759.32    315.855  84.192  6.1761  93.716  3.1117  -9.523911      6.915719  
1 1 1 3   45  13 o 188.057 4.6806  19182.47   953.377  20133.93   1539.23  18590.25   1214.36  192.440 7.3848  185.034 6.0594  7.406281       9.552537  
1 1 1 3   45  14 o 231.186 5.4140  29010.02   1355.66  30334.68   2159.75  28148.78   1741.46  236.021 8.4486  227.547 7.0660  8.474457       11.01393  
1 1 1 3   45  15 o 251.961 4.5662  34442.48   1246.10  37389.20   2504.97  33473.51   1436.44  261.867 8.8318  248.308 5.3411  13.55879       10.32126  
1 1 1 3   45  16 o 89.886  2.7123  4378.64    264.062  4941.14    582.015  4232.84    296.314  95.200  5.6702  88.367  3.0959  6.833496       6.460340  
1 1 1 3   45  17 o 193.881 3.8359  20391.97   805.504  19861.65   1608.75  20569.41   930.552  190.831 7.7834  194.668 4.4134  -3.836823      8.947588  
1 1 1 3   45  18 o 216.648 4.0999  25480.11   962.057  24035.41   1919.43  25964.82   1111.79  209.595 8.4551  218.617 4.6954  -9.022064      9.671402  
1 1 1 3   45  19 o 259.132 4.6869  36514.78   1315.44  35404.64   2627.12  36886.24   1519.67  253.518 9.5675  260.274 5.3908  -6.755447      10.98170  
1 1 1 3   45  20 o 236.133 4.6625  30359.55   1192.48  27369.35   2231.19  31555.23   1410.89  222.450 9.2605  240.513 5.4161  -18.06250      10.72803  
1 1 1 3   45  21 o 99.347  2.8817  5359.74    310.075  6056.27    705.979  5193.26    345.148  104.896 6.2420  97.754  3.2599  7.142105       7.042006  
1 1 1 3   45  22 o 50.663  2.1749  1392.79    119.345  833.029    486.693  1428.60    123.103  37.839  11.132  51.308  2.2152  -13.46966      11.34996  
1 1 1 3   45  23 o 99.803  2.9603  5418.13    319.999  5761.99    713.068  5331.42    358.081  101.875 6.4963  98.942  3.3414  2.933182       7.305240  
1 1 1 3   45  24 o 26.251  1.6816  375.381    47.560   556.640    427.510  373.109    47.857   31.573  10.597  26.170  1.6976  5.403406       10.73171  
1 1 1 3   45  25 o 66.205  3.6243  2403.64    258.900  2332.91    514.240  2427.65    299.646  63.903  7.5773  66.398  4.1881  -2.494202      8.657703  
1 1 1 3   45  26 o 27.118  6.8725  430.955    202.114  684.168    418.306  353.837    230.849  33.663  10.412  24.852  7.7431  8.811813       12.97586  
1 1 1 3   45  27 o 90.471  2.9042  4473.79    284.578  4877.36    643.828  4375.80    317.252  92.600  6.4598  89.362  3.2778  3.238586       7.243798  
1 1 1 3   45  28 o 69.101  3.7894  2641.28    282.528  2406.37    547.140  2726.70    329.916  63.621  8.1258  69.971  4.3753  -6.349625      9.228806  
1 1 1 3   45  29 o 41.797  5.4526  1009.11    240.963  1144.36    469.414  960.717    280.779  41.440  10.458  40.160  6.6904  1.279789       12.41504  
1 1 1 3   45  30 o 56.511  5.3551  1864.64    323.855  0.0000     0.0000   1864.64    323.855  ?       ?       56.511  5.3551  0.000000       5.355063  
1 1 1 3   45  31 o 15.745  7.4275  -234.7327  330.089  0.0000     0.0000   -234.7327  330.089  ?       ?       15.745  7.4275  0.000000       7.427485  
1 1 1 3   45  32 o 18.656  8.4040  11.398     357.828  0.0000     0.0000   11.398     357.828  ?       ?       18.656  8.4040  0.000000       8.403975  
1 1 1 3   45  33 o 28.927  10.073  671.054    387.125  0.0000     0.0000   671.054    387.125  ?       ?       28.927  10.073  0.000000       10.07315  
1 1 1 3   46  0  o 89.717  3.9387  4361.23    382.738  4460.90    536.573  4257.98    546.099  90.549  5.4971  88.439  5.7319  2.109764       7.941854  
1 1 1 3   46  1  o 296.608 7.4119  47728.54   2381.14  47724.88   3368.12  47732.19   3366.76  296.332 10.494  296.355 10.489  -0.2319336E-01 14.83712  
1 1 1 3   46  2  o 618.890 11.890  208407.59  7970.12  207623.70  13807.21 208799.30  9760.47  614.781 20.736  618.743 14.564  -3.962524      25.33933  
1 1 1 3   46  3  o 50.772  2.9655  1401.21    162.367  1331.79    230.486  1469.59    228.768  49.383  4.3538  51.916  4.1018  -2.533195      5.981677  
1 1 1 3   46  4  o 171.284 3.3802  15894.93   627.095  16954.81   889.228  14846.34   884.483  176.870 4.6418  165.499 4.9343  11.37114       6.774506  
1 1 1 3   46  5  o 330.151 5.6856  59104.76   2033.10  60698.46   2876.06  57512.89   2874.41  334.368 7.9415  325.454 8.1544  8.914459       11.38249  
1 1 1 3   46  6  f 238.232 4.3141  30760.13   1113.16  31334.70   1575.90  30187.96   1572.59  240.354 6.0535  235.909 6.1546  4.445313       8.632737  
1 1 1 3   46  7  o 116.645 2.8671  7371.17    362.229  7493.24    516.586  7253.11    508.059  117.585 4.0562  115.685 4.0548  1.899345       5.735338  
1 1 1 3   46  8  o 124.922 2.9841  8454.89    403.759  8561.20    574.264  8350.95    567.794  125.677 4.2188  124.124 4.2234  1.552917       5.969520  
1 1 1 3   46  9  o 416.597 7.0969  94242.02   3202.26  90766.93   4529.44  97714.77   4527.92  408.248 10.244  423.670 9.8674  -15.42236      14.22304  
1 1 1 3   46  10 o 24.592  5.1904  340.464    133.907  290.414    202.173  379.581    178.731  23.230  7.2476  25.933  6.4018  -2.702814      9.670126  
1 1 1 3   46  11 o 206.847 3.9353  23193.41   881.655  24277.83   1250.06  22120.06   1243.66  211.531 5.4561  201.896 5.6873  9.635406       7.881281  
1 1 1 3   46  12 o 268.745 6.1773  39214.54   1798.07  40644.51   2840.70  38258.65   2322.55  273.101 9.6036  265.205 8.0856  7.896179       12.55412  
1 1 1 3   46  13 o 252.016 6.5099  34502.16   1776.94  35084.13   2513.52  33920.70   2512.44  253.750 9.1455  249.481 9.2980  4.268387       13.04193  
1 1 1 3   46  14 o 159.911 3.9450  13865.62   683.267  13089.15   1186.13  14251.24   835.886  155.156 7.0582  162.073 4.7617  -6.917038      8.514231  
1 1 1 3   46  15 o 105.491 2.9741  6031.43    339.810  6554.51    686.304  5861.55    391.117  109.696 5.7970  103.980 3.4729  5.715866       6.757638  
1 1 1 3   46  16 o 218.890 4.1427  25992.78   982.144  25089.26   1966.33  26293.12   1133.69  214.456 8.4654  220.089 4.7558  -5.633469      9.709843  
1 1 1 3   46  17 o 167.408 3.4854  15199.94   631.979  15510.09   1269.09  15097.67   728.767  168.733 6.9442  166.801 4.0338  1.931732       8.030776  
1 1 1 3   46  18 o 104.449 2.9605  5916.03    334.916  6239.23    659.605  5803.76    388.757  106.917 5.7167  103.427 3.4704  3.490234       6.687586  
1 1 1 3   46  19 o 60.742  3.1989  2007.78    209.710  2033.09    400.391  1998.21    246.178  60.731  6.1728  60.540  3.7732  0.1910934      7.234681  
1 1 1 3   46  20 o 111.666 2.9959  6769.03    362.344  6815.86    711.319  6752.62    421.071  111.514 5.9104  111.483 3.4872  0.3036499E-01  6.862482  
1 1 1 3   46  21 f 76.637  3.1031  3191.51    257.576  3741.33    586.184  3059.95    286.741  82.224  6.6387  75.004  3.5297  7.220276       7.518745  
1 1 1 3   46  22 o 96.223  3.1674  5036.19    330.099  6017.38    686.788  4741.43    376.431  104.392 6.1007  93.286  3.7256  11.10574       7.148362  
1 1 1 3   46  23 o 54.243  4.0231  1615.58    234.678  1923.55    507.754  1531.92    264.641  58.028  8.3165  52.681  4.6870  5.347321       9.546282  
1 1 1 3   46  24 o 57.917  3.7908  1840.87    236.488  1730.08    524.355  1869.16    264.967  54.429  9.2240  58.270  4.2271  -3.840698      10.14642  
1 1 1 3   46  25 o 65.776  2.6066  2355.28    185.700  2724.68    535.967  2304.88    197.962  69.209  7.2580  65.041  2.8101  4.168015       7.783029  
1 1 1 3   46  26 o 31.066  6.5573  562.401    213.712  122.910    424.274  711.825    247.389  23.629  9.8881  34.976  6.7752  -11.34702      11.98658  
1 1 1 3   46  27 o 62.154  3.7167  2132.01    249.060  1929.04    513.845  2194.34    284.744  56.866  8.6124  62.896  4.2041  -6.030365      9.583677  
1 1 1 3   46  28 o 28.831  7.0612  498.010    218.748  419.889    437.410  524.064    252.605  27.949  10.561  29.391  7.8042  -1.442204      13.13155  
1 1 1 3   46  29 o 47.183  5.1156  1276.93    257.241  748.330    480.882  1488.83    304.467  33.148  11.238  50.691  5.6411  -17.54375      12.57442  
1 1 1 3   46  30 o 18.395  7.4011  140.096    226.074  0.0000     0.0000   140.096    226.074  ?       ?       18.395  7.4011  0.000000       7.401074  
1 1 1 3   46  31 o 29.058  10.026  610.818    383.119  0.0000     0.0000   610.818    383.119  ?       ?       29.058  10.026  0.000000       10.02644  
1 1 1 3   46  32 o 61.450  7.0583  2410.97    461.255  0.0000     0.0000   2410.97    461.255  ?       ?       61.450  7.0583  0.000000       7.058339  
1 1 1 3   46  33 o 15.348  7.4647  -427.0857  395.020  0.0000     0.0000   -427.0857  395.020  ?       ?       15.348  7.4647  0.000000       7.464725  
1 1 1 3   47  0  o 282.420 7.1128  43270.75   2175.74  42498.93   3076.54  44042.99   3077.37  279.634 10.158  284.686 9.9803  -5.052124      14.24036  
1 1 1 3   47  1  o 332.870 6.5596  60096.33   2364.95  61930.75   4098.86  59180.89   2895.52  337.422 11.216  330.194 8.0963  7.227142       13.83251  
1 1 1 3   47  2  o 170.473 3.3806  15744.51   624.201  16011.22   881.739  15476.57   883.771  171.876 4.7365  168.980 4.8288  2.896698       6.763950  
1 1 1 3   47  3  o 156.343 3.2738  13242.51   554.362  12818.75   783.234  13667.91   784.739  153.788 4.7022  158.804 4.5624  -5.015884      6.551806  
1 1 1 3   47  4  o 354.670 6.0927  68222.93   2340.47  69288.91   3310.14  67157.22   3309.72  357.173 8.5565  351.620 8.6905  5.553375       12.19589  
1 1 1 3   47  5  o 143.358 3.1004  11134.19   481.401  11751.77   681.636  10519.61   679.975  147.253 4.2738  139.313 4.5064  7.939362       6.210751  
1 1 1 3   47  6  o 302.470 5.3605  49609.49   1756.12  48120.25   2484.35  51096.76   2482.70  297.690 7.7051  306.783 7.4718  -9.093201      10.73293  
1 1 1 3   47  7  o 274.106 5.2760  40743.41   1566.37  40987.17   2068.34  40415.62   2398.50  274.791 6.9495  272.753 8.1189  2.037476       10.68700  
1 1 1 3   47  8  o 175.099 3.5651  16614.59   676.116  16208.39   958.548  17016.78   953.815  172.885 5.1190  177.151 4.9711  -4.265610      7.135540  
1 1 1 3   47  9  o 192.335 3.9683  20051.32   826.677  20221.47   1108.81  19838.38   1240.43  193.083 5.3020  191.203 5.9897  1.879410       7.999278  
1 1 1 3   47  10 o 32.785  1.6002  582.171    56.822   677.706    211.654  574.750    58.988   34.876  5.8074  32.531  1.6799  2.344395       6.045436  
1 1 1 3   47  11 o 173.323 3.7266  16283.37   699.579  16620.47   945.903  15876.33   1039.40  175.046 4.9891  171.046 5.6105  3.999924       7.507939  
1 1 1 3   47  12 o 224.507 4.8682  27341.25   1183.78  26909.85   2050.73  27556.83   1449.70  222.352 8.5153  225.300 5.9408  -2.948120      10.38284  
1 1 1 3   47  13 o 48.543  2.2746  1276.60    119.593  1078.71    350.121  1302.74    127.247  43.908  7.6396  49.036  2.3959  -5.127884      8.006453  
1 1 1 3   47  14 o 458.098 7.7433  114212.10  3841.97  113974.30  7685.78  114291.40  4435.97  454.181 15.624  457.878 8.9448  -3.697021      18.00317  
1 1 1 3   47  15 f 236.173 4.3862  30261.55   1121.98  30636.82   2250.16  30137.38   1294.37  236.988 8.7663  235.615 5.0721  1.372070       10.12791  
1 1 1 3   47  16 o 136.120 3.2360  10045.61   477.094  10173.58   943.058  10001.59   553.094  136.764 6.3664  135.795 3.7605  0.9689178      7.394100  
1 1 1 3   47  17 o 95.130  2.9726  4906.52    306.287  5199.65    615.730  4810.14    353.069  97.596  5.8519  94.172  3.4615  3.424683       6.799026  
1 1 1 3   47  18 o 114.993 2.9922  7171.81    372.683  7186.98    747.687  7166.79    429.894  114.699 6.0398  114.925 3.4536  -0.2263489     6.957514  
1 1 1 3   47  19 o 39.690  3.8504  863.839    163.439  980.136    318.118  822.133    190.505  41.710  7.3080  38.597  4.6507  3.113441       8.662307  
1 1 1 3   47  20 o 50.921  2.2479  1406.23    123.977  1064.55    354.348  1453.90    132.341  43.320  7.8409  51.772  2.3601  -8.452587      8.188348  
1 1 1 3   47  21 o 90.732  2.7992  4471.25    275.080  4245.17    652.586  4520.10    303.347  87.494  6.9434  91.199  3.0710  -3.705215      7.592220  
1 1 1 3   47  22 o 94.103  2.8592  4813.42    291.416  5541.73    676.967  4647.77    322.862  100.081 6.2769  92.423  3.2253  7.658524       7.057078  
1 1 1 3   47  23 o 126.213 3.2249  8675.94    440.851  8695.82    905.773  8669.77    504.659  125.013 6.7141  126.055 3.6963  -1.042244      7.664291  
1 1 1 3   47  24 o 69.989  3.4359  2673.31    260.460  2343.61    565.751  2761.98    293.403  63.861  8.3818  70.973  3.8310  -7.112583      9.215804  
1 1 1 3   47  25 o 103.875 3.2647  5892.96    367.306  5248.66    755.755  6092.22    420.281  96.178  7.3097  105.496 3.6782  -9.318878      8.182951  
1 1 1 3   47  26 o 39.663  5.3718  890.078    224.831  1519.01    467.661  701.021    256.406  50.492  8.8754  34.588  7.0828  15.90455       11.35507  
1 1 1 3   47  27 o 65.790  3.8034  2390.55    269.866  2429.39    551.359  2378.31    309.470  64.203  8.1098  65.409  4.3938  -1.206528      9.223541  
1 1 1 3   47  28 o 41.535  5.1806  982.720    227.988  848.242    459.797  1026.56    262.534  36.095  10.869  42.162  5.9115  -6.067413      12.37222  
1 1 1 3   47  29 o 34.484  6.5718  716.761    236.493  861.076    457.796  664.230    276.202  35.245  10.891  32.485  7.9214  2.760010       13.46732  
1 1 1 3   47  30 o 36.911  9.2181  925.311    367.420  0.0000     0.0000   925.311    367.420  ?       ?       36.911  9.2181  0.000000       9.218060  
1 1 1 3   47  31 o 36.251  8.9838  908.690    350.950  0.0000     0.0000   908.690    350.950  ?       ?       36.251  8.9838  0.000000       8.983814  
1 1 1 3   47  32 o 73.959  3.6917  3103.99    295.722  0.0000     0.0000   3103.99    295.722  ?       ?       73.959  3.6917  0.000000       3.691671  
1 1 1 3   47  33 o 28.478  10.404  662.682    417.946  0.0000     0.0000   662.682    417.946  ?       ?       28.478  10.404  0.000000       10.40433  
1 1 1 3   48  0  o 175.977 3.9616  16780.61   755.087  18539.82   1311.95  15909.22   923.349  184.877 6.5519  171.318 4.9762  13.55902       8.227327  
1 1 1 3   48  1  o 113.834 2.8976  7019.77    357.260  7143.61    507.833  6898.42    502.691  114.816 4.0837  112.827 4.1135  1.988190       5.796338  
1 1 1 3   48  2  o 87.962  2.6828  4191.32    255.594  4354.54    362.531  4030.01    360.406  89.646  3.7337  86.240  3.8585  3.406731       5.369223  
1 1 1 3   48  3  o 357.712 6.1144  69401.13   2368.96  68917.76   3350.71  69884.23   3349.73  356.190 8.6853  358.687 8.6223  -2.496765      12.23842  
1 1 1 3   48  4  o 347.764 5.9517  65593.84   2241.81  66717.63   3171.22  64471.22   3169.58  350.475 8.3541  344.507 8.4944  5.968048       11.91409  
1 1 1 3   48  5  o 291.293 5.1877  46006.69   1636.71  45366.77   2315.05  46646.18   2314.26  289.081 7.3938  293.139 7.2890  -4.058014      10.38260  
1 1 1 3   48  6  o 394.981 6.7242  84667.01   2876.66  84259.96   4068.79  85073.83   4067.64  393.607 9.5440  395.512 9.4954  -1.904907      13.46294  
1 1 1 3   48  7  o 105.433 2.8204  6022.32    322.073  6008.00    460.346  6036.04    450.764  105.285 4.0369  105.533 3.9436  -0.2473526     5.643429  
1 1 1 3   48  8  o 504.905 8.3300  138576.30  4555.37  144569.09  6443.40  132587.80  6441.13  514.817 11.556  492.863 12.066  21.95395       16.70692  
1 1 1 3   48  9  o 292.725 5.1553  46476.18   1634.50  46742.40   2313.09  46210.67   2309.99  293.338 7.2804  291.661 7.3124  1.677185       10.31868  
1 1 1 3   48  10 o 159.913 3.3451  13858.25   579.369  13846.18   823.560  13870.07   815.207  159.786 4.7587  159.926 4.7063  -0.1402740     6.692847  
1 1 1 3   48  11 o 183.921 3.6658  18335.51   730.242  18880.61   1036.97  17799.26   1028.52  186.555 5.1320  181.128 5.2427  5.427979       7.336466  
1 1 1 3   48  12 o 415.669 8.1605  94014.61   3673.97  94442.99   6365.72  93800.64   4498.89  414.640 14.174  414.698 10.016  -0.5862427E-01 17.35624  
1 1 1 3   48  13 o 161.041 3.9030  14061.29   680.774  14535.87   1183.77  13826.77   832.150  163.551 6.6826  159.644 4.8126  3.907120       8.235168  
1 1 1 3   48  14 o 300.878 5.3085  49144.95   1729.96  49406.89   3462.81  49057.83   1997.03  300.580 10.637  300.489 6.1360  0.9100342E-01  12.27948  
1 1 1 3   48  15 o 350.997 6.0747  66958.04   2309.39  67422.56   4621.15  66803.41   2666.20  350.328 12.179  350.380 7.0256  -0.5297852E-01 14.05998  
1 1 1 3   48  16 o 221.533 4.1883  26630.93   1004.95  25517.00   2014.74  26999.86   1159.49  216.154 8.6057  222.992 4.8007  -6.838242      9.854196  
1 1 1 3   48  17 o 220.771 4.1878  26459.47   1001.37  25966.79   2002.24  26623.81   1156.39  217.886 8.4843  221.368 4.8230  -3.482208      9.759358  
1 1 1 3   48  18 o 94.106  2.9388  4803.32    299.537  4735.68    606.940  4825.10    344.401  93.016  6.0575  94.296  3.3721  -1.280205      6.932858  
1 1 1 3   48  19 o 42.326  3.7172  980.757    168.686  863.402    341.756  1018.56    193.960  38.891  8.3619  43.076  4.2111  -4.185143      9.362413  
1 1 1 3   48  20 o 79.746  2.9254  3453.05    252.675  3413.61    489.352  3467.39    295.051  78.785  5.7749  79.874  3.4105  -1.088448      6.706775  
1 1 1 3   48  21 o 25.669  6.7134  376.349    188.772  -63.9755   438.669  476.422    209.126  22.156  9.6738  28.836  6.8054  -6.679600      11.82778  
1 1 1 3   48  22 o 68.182  3.3674  2530.90    248.674  3000.23    550.292  2410.46    278.760  73.280  7.0191  66.369  3.8950  6.911011       8.027375  
1 1 1 3   48  23 o 50.587  4.2233  1409.49    229.283  756.968    499.271  1583.89    258.111  36.046  11.410  53.589  4.4882  -17.54288      12.26108  
1 1 1 3   48  24 f 50.822  4.2880  1425.87    233.829  1679.31    506.279  1357.15    263.632  53.603  9.0421  49.405  4.9954  4.198124       10.33017  
1 1 1 3   48  25 o 44.176  2.1018  1060.67    100.566  1282.33    491.664  1050.99    102.739  45.986  10.144  43.969  2.1573  2.016964       10.37042  
1 1 1 3   48  26 o 37.638  5.7006  807.784    225.112  345.269    488.759  932.315    253.613  27.968  11.003  40.394  5.9772  -12.42630      12.52145  
1 1 1 3   48  27 o 61.307  3.9812  2081.31    262.929  1927.50    554.957  2125.83    298.565  56.268  9.4404  61.778  4.4929  -5.509670      10.45495  
1 1 1 3   48  28 f 75.598  3.6294  3155.16    297.174  3184.98    597.598  3145.37    342.528  73.305  7.6389  75.117  4.2272  -1.812302      8.730581  
1 1 1 3   48  29 o 52.854  4.7464  1595.67    268.819  1738.90    524.235  1544.57    313.120  51.251  9.8011  51.405  5.7209  -0.1537895     11.34861  
1 1 1 3   48  30 o 23.593  9.0333  325.568    322.682  0.0000     0.0000   325.568    322.682  ?       ?       23.593  9.0333  0.000000       9.033311  
1 1 1 3   48  31 f 29.388  9.8021  627.053    365.808  0.0000     0.0000   627.053    365.808  ?       ?       29.388  9.8021  0.000000       9.802134  
1 1 1 3   48  32 o 25.805  10.071  485.016    406.810  0.0000     0.0000   485.016    406.810  ?       ?       25.805  10.071  0.000000       10.07138  
1 1 1 3   48  33 o 18.940  8.5147  52.592     365.164  0.0000     0.0000   52.592     365.164  ?       ?       18.940  8.5147  0.000000       8.514689  
1 1 1 3   49  0  o 474.780 7.9547  122387.60  4090.59  121463.60  5785.28  123311.40  5784.65  472.368 11.308  475.967 11.221  -3.598175      15.93027  
1 1 1 3   49  1  o 360.001 6.1434  70294.10   2395.41  70371.21   3387.92  70217.02   3387.34  359.921 8.6907  359.525 8.6988  0.3955383      12.29624  
1 1 1 3   49  2  o 189.087 3.7134  19373.63   760.514  19482.88   1076.29  19264.70   1074.77  189.565 5.2421  188.499 5.2642  1.065369       7.429089  
1 1 1 3   49  3  o 315.720 5.4585  54050.56   1866.56  53252.51   2640.20  54848.04   2639.24  313.173 7.7836  317.842 7.6665  -4.669312      10.92521  
1 1 1 3   49  4  o 673.688 11.135  247145.91  8125.21  250294.91  11491.45 243997.59  11490.09 676.136 15.692  667.483 15.893  8.653442       22.33441  
1 1 1 3   49  5  o 610.120 10.081  202545.09  6662.02  206613.00  9422.13  198478.41  9420.90  614.813 14.149  602.474 14.437  12.33881       20.21478  
1 1 1 3   49  6  o 366.091 6.7364  72741.37   2671.06  72644.77   4123.06  72811.23   3506.33  365.283 10.421  365.972 8.8458  -0.6890259     13.66930  
1 1 1 3   49  7  o 179.424 3.5874  17446.00   697.165  17244.13   988.279  17645.98   983.619  178.321 5.1169  180.390 5.0343  -2.069748      7.178262  
1 1 1 3   49  8  o 223.083 4.1446  26976.99   1001.43  27418.81   1418.86  26538.42   1413.62  224.796 5.8275  221.152 5.9016  3.643860       8.293879  
1 1 1 3   49  9  o 228.049 4.2548  28194.78   1050.95  27490.11   1489.81  28892.79   1482.75  225.051 6.1119  230.736 5.9331  -5.685043      8.518074  
1 1 1 3   49  10 o 157.320 3.3649  13412.83   573.352  13197.87   815.092  13623.36   806.657  155.994 4.8242  158.495 4.6990  -2.500671      6.734500  
1 1 1 3   49  11 o 152.313 3.2964  12572.85   543.803  13042.58   779.981  12128.54   758.574  155.075 4.6438  149.541 4.6835  5.534531       6.595427  
1 1 1 3   49  12 o 420.339 8.2483  96159.63   3755.22  96862.24   6505.73  95808.56   4598.65  419.790 14.308  419.043 10.132  0.7467651      17.53263  
1 1 1 3   49  13 o 281.554 5.8218  43046.66   1775.36  41829.08   3077.88  43653.75   2173.36  276.755 10.268  283.349 7.0817  -6.593689      12.47329  
1 1 1 3   49  14 o 175.056 3.5942  16615.09   681.475  15352.30   1363.11  17035.89   786.868  167.945 7.4937  177.228 4.0992  -9.283279      8.541570  
1 1 1 3   49  15 o 147.630 3.3028  11815.93   528.119  12704.27   1059.86  11522.51   609.127  152.848 6.4021  145.756 3.8584  7.091354       7.474892  
1 1 1 3   49  16 o 101.282 2.8841  5560.80    316.380  5908.31    659.066  5456.74    360.652  104.071 5.8709  100.313 3.3194  3.757881       6.744327  
1 1 1 3   49  17 o 109.937 3.0839  6554.60    367.215  6138.66    756.896  6682.65    419.949  105.917 6.6312  110.984 3.4936  -5.066605      7.495203  
1 1 1 3   49  18 o 192.638 3.8240  20153.68   797.871  18796.55   1599.32  20603.37   920.617  185.166 7.9745  194.692 4.3658  -9.526642      9.091370  
1 1 1 3   49  19 o 116.853 3.0139  7411.66    381.456  7206.10    770.792  7478.33    438.981  114.629 6.2317  117.336 3.4542  -2.706459      7.124981  
1 1 1 3   49  20 o 130.485 3.1624  9251.09    446.937  10286.75   926.342  8936.86    510.255  136.944 6.2454  128.176 3.6754  8.767899       7.246629  
1 1 1 3   49  21 o 89.155  2.5364  4315.95    244.930  4042.76    437.445  4440.71    295.612  85.883  4.7208  90.385  3.0196  -4.501610      5.603933  
1 1 1 3   49  22 o 144.089 3.4031  11307.03   531.100  11653.07   1067.63  11193.24   612.228  145.067 6.7949  143.224 3.9466  1.842865       7.857871  
1 1 1 3   49  23 o 123.704 3.2056  8338.02    429.498  9365.87    889.706  8025.72    490.427  129.969 6.3203  121.233 3.7349  8.735741       7.341358  
1 1 1 3   49  24 o 106.457 3.2186  6181.92    371.122  6429.84    765.390  6105.71    424.343  107.145 6.6280  105.675 3.7074  1.469727       7.594404  
1 1 1 3   49  25 o 65.187  3.6099  2333.88    253.885  2207.30    556.179  2367.20    285.349  61.447  8.5918  65.538  4.0396  -4.090279      9.494077  
1 1 1 3   49  26 o 34.296  5.8968  676.371    211.151  643.713    482.012  684.126    234.888  32.869  11.251  34.280  6.5654  -1.410568      13.02625  
1 1 1 3   49  27 o 25.281  7.2398  377.842    208.360  51.605     477.646  454.511    231.552  23.511  10.181  27.581  7.5368  -4.069378      12.66722  
1 1 1 3   49  28 o 37.774  5.7883  828.609    229.268  563.833    505.297  897.249    257.275  30.562  11.391  39.114  6.2858  -8.551149      13.01031  
1 1 1 3   49  29 o 46.462  1.6387  1176.12    82.464   1237.07    86.042   488.595    288.977  47.646  1.6673  27.484  8.6786  20.16257       8.837337  
1 1 1 3   49  30 o 35.517  9.3903  870.923    366.736  0.0000     0.0000   870.923    366.736  ?       ?       35.517  9.3903  0.000000       9.390323  
1 1 1 3   49  31 o 35.120  9.0328  865.564    345.543  0.0000     0.0000   865.564    345.543  ?       ?       35.120  9.0328  0.000000       9.032835  
1 1 1 3   49  32 o 16.084  7.5711  -184.4680  339.672  0.0000     0.0000   -184.4680  339.672  ?       ?       16.084  7.5711  0.000000       7.571126  
1 1 1 3   50  0  o 274.045 4.8944  40712.83   1452.74  41662.54   2055.05  39764.16   2053.93  277.087 6.8476  270.688 7.0056  6.399109       9.796325  
1 1 1 3   50  1  o 405.241 6.9103  89117.52   3033.08  90998.38   4290.48  87238.51   4288.35  409.090 9.6832  400.515 9.8856  8.574677       13.83792  
1 1 1 3   50  2  o 160.969 3.3288  14039.09   580.371  14324.53   821.682  13754.91   819.858  162.560 4.6668  159.292 4.7520  3.267746       6.660375  
1 1 1 3   50  3  o 48.745  2.9195  1291.89    153.429  1349.30    218.848  1236.40    215.161  49.728  4.0998  47.576  4.2193  2.152088       5.883080  
1 1 1 3   50  4  o 118.786 2.9737  7644.58    382.589  7753.99    537.533  7532.25    544.662  119.610 4.1492  117.885 4.2658  1.725334       5.950881  
1 1 1 3   50  5  o 340.506 5.8249  62893.50   2148.23  64839.19   3039.03  60950.29   3037.09  345.465 8.1220  334.911 8.3725  10.55377       11.66473  
1 1 1 3   50  6  o 601.710 9.9673  197078.70  6495.81  196935.50  9186.79  197221.91  9186.13  599.943 14.138  600.384 14.126  -0.4411621     19.98591  
1 1 1 3   50  7  o 371.158 6.3210  74767.31   2541.06  74994.32   3594.53  74540.53   3592.67  371.314 8.9378  370.185 8.9604  1.129211       12.65597  
1 1 1 3   50  8  o 129.435 3.0412  9077.74    426.354  9026.77    605.549  9127.84    600.395  129.036 4.3328  129.758 4.2720  -0.7223816     6.084680  
1 1 1 3   50  9  o 60.449  2.7917  1979.81    182.781  2244.56    275.954  1772.86    243.974  64.224  3.9867  57.050  3.9732  7.174038       5.628512  
1 1 1 3   50  10 o 234.826 4.3409  29899.68   1104.07  30259.14   1563.38  29542.05   1559.40  236.090 6.1139  233.270 6.1720  2.819672       8.687544  
1 1 1 3   50  11 f 383.251 6.9910  79815.96   2901.98  81397.47   3808.25  77625.86   4481.48  386.573 9.0954  377.017 10.975  9.556702       14.25378  
1 1 1 3   50  12 o 228.634 4.9198  28360.36   1218.31  28098.45   2112.95  28490.80   1491.14  227.155 8.5881  229.057 6.0104  -1.902557      10.48240  
1 1 1 3   50  13 o 267.716 5.5815  38914.86   1618.44  37394.99   2806.18  39672.40   1981.14  261.709 9.8998  270.144 6.7710  -8.435120      11.99384  
1 1 1 3   50  14 o 150.887 3.4518  12343.13   564.122  12246.04   1094.23  12378.27   658.355  150.058 6.7326  151.071 4.0235  -1.013046      7.843222  
1 1 1 3   50  15 o 92.262  2.7641  4613.62    276.210  4751.52    593.975  4575.57    311.996  93.309  5.9077  91.870  3.1355  1.439453       6.688232  
1 1 1 3   50  16 o 94.217  2.9958  4812.76    305.712  4740.35    613.161  4836.72    352.674  93.139  6.1121  94.433  3.4481  -1.294518      7.017627  
1 1 1 3   50  17 o 285.766 5.0905  44408.35   1575.58  43738.38   3153.65  44631.21   1818.85  281.787 10.333  286.288 5.8658  -4.501221      11.88176  
1 1 1 3   50  18 o 158.197 3.4098  13586.13   584.249  13423.79   1169.89  13640.07   674.367  156.663 6.8946  158.448 3.9295  -1.785492      7.935769  
1 1 1 3   50  19 o 252.914 4.6331  34843.16   1269.14  34417.18   2539.80  34984.93   1465.19  249.107 9.4133  253.185 5.3430  -4.077530      10.82397  
1 1 1 3   50  20 o 100.620 2.9969  5500.15    326.611  5678.52    703.449  5451.14    368.770  101.469 6.4340  100.125 3.4005  1.344185       7.277327  
1 1 1 3   50  21 o 18.741  6.7093  166.000    172.673  283.893    430.600  143.409    188.492  26.901  10.400  18.528  6.9471  8.373499       12.50673  
1 1 1 3   50  22 o 31.202  5.8684  553.192    191.046  737.659    459.063  514.551    210.104  35.637  10.889  29.925  6.6545  5.712475       12.76126  
1 1 1 3   50  23 o 123.120 3.2261  8261.40    430.204  8218.43    881.087  8274.85    492.961  121.350 6.7300  123.099 3.6973  -1.748848      7.678755  
1 1 1 3   50  24 o 98.977  3.2851  5347.21    352.166  5473.69    718.431  5307.20    404.038  98.688  6.7620  98.479  3.7880  0.2093582      7.750737  
1 1 1 3   50  25 o 105.151 3.0203  6036.42    343.985  6235.45    759.725  5985.09    385.795  105.029 6.7136  104.589 3.4057  0.4401398      7.527995  
1 1 1 3   50  26 o 92.992  3.3716  4739.80    339.585  4681.84    690.886  4758.27    389.940  90.338  7.1186  92.996  3.8713  -2.657837      8.103240  
1 1 1 3   50  27 o 36.749  5.9432  780.114    228.483  1267.20    494.681  648.022    257.608  44.715  10.409  32.907  7.4064  11.80746       12.77510  
1 1 1 3   50  28 o 34.677  1.9752  657.581    73.881   -173.2110  498.390  676.247    74.706   21.047  9.6500  35.169  1.9691  -14.12139      9.848864  
1 1 1 3   50  29 o 21.701  8.3681  247.062    278.228  0.0000     0.0000   247.062    278.228  ?       ?       21.701  8.3681  0.000000       8.368056  
1 1 1 3   50  30 o 35.441  9.2963  866.971    361.280  0.0000     0.0000   866.971    361.280  ?       ?       35.441  9.2963  0.000000       9.296278  
1 1 1 3   50  31 o 18.476  8.2975  4.0100     345.753  0.0000     0.0000   4.0100     345.753  ?       ?       18.476  8.2975  0.000000       8.297549  
1 1 1 3   50  32 o 40.310  9.4626  1194.27    406.060  0.0000     0.0000   1194.27    406.060  ?       ?       40.310  9.4626  0.000000       9.462628  
1 1 1 3   51  0  o 163.811 3.3987  14539.58   603.011  14985.59   854.648  14097.42   850.937  166.264 4.7459  161.257 4.8720  5.006729       6.801487  
1 1 1 3   51  1  o 222.311 4.0877  26784.84   984.256  27764.49   1392.18  25805.84   1391.72  226.260 5.6809  218.121 5.8909  8.138718       8.183855  
1 1 1 3   51  2  o 173.989 3.4959  16403.15   658.800  16505.17   932.252  16301.37   931.118  174.480 4.9331  173.399 4.9578  1.081512       6.993907  
1 1 1 3   51  3  o 86.434  2.7139  4047.24    254.069  3610.57    360.027  4480.44    358.592  81.620  4.0726  90.929  3.6410  -9.309067      5.462864  
1 1 1 3   51  4  o 250.109 4.5508  33910.87   1232.78  33044.09   1743.84  34776.80   1742.99  246.761 6.5247  253.161 6.3566  -6.400253      9.109240  
1 1 1 3   51  5  o 481.399 8.0695  125922.00  4207.47  128273.90  5951.12  123571.40  5949.41  485.090 11.327  476.057 11.538  9.033295       16.16879  
1 1 1 3   51  6  o 178.273 3.6333  17223.47   701.547  16471.12   993.158  17972.73   991.119  174.267 5.2618  182.050 5.0265  -7.782349      7.276807  
1 1 1 3   51  7  o 271.286 4.8796  39909.86   1433.76  39275.66   2029.01  40542.36   2026.28  268.933 6.9658  273.248 6.8466  -4.315094      9.767163  
1 1 1 3   51  8  o 336.436 5.7850  61421.52   2108.04  63418.40   2982.36  59427.70   2980.08  341.538 8.0621  330.575 8.3232  10.96292       11.58763  
1 1 1 3   51  9  o 537.901 9.5475  157598.91  5562.40  162588.00  7274.13  150573.50  8631.82  545.308 12.316  523.456 15.225  21.85211       19.58261  
1 1 1 3   51  10 o 446.215 8.1476  108309.70  3937.72  108218.50  5157.15  108437.10  6097.87  445.311 10.692  445.082 12.649  0.2299805      16.56301  
1 1 1 3   51  11 o 147.513 3.7836  11796.36   604.514  11538.53   1047.89  11924.97   740.079  145.737 6.6386  148.279 4.6082  -2.541336      8.081210  
1 1 1 3   51  12 o 169.060 4.9658  15508.02   909.289  14787.87   1287.20  16225.34   1284.66  164.913 7.2064  172.775 6.8650  -7.861633      9.952907  
1 1 1 3   51  13 o 198.061 5.4708  21299.47   1173.59  22580.15   1660.90  20022.44   1658.53  203.691 7.5284  191.749 7.9858  11.94197       10.97493  
1 1 1 3   51  14 o 108.741 2.9493  6409.06    347.359  7066.17    697.593  6192.41    400.547  114.053 5.6471  106.871 3.4604  7.181725       6.623008  
1 1 1 3   51  15 o 329.978 5.7703  59191.06   2062.32  57799.72   4130.82  59653.00   2380.18  324.148 11.766  331.061 6.6379  -6.913086      13.50914  
1 1 1 3   51  16 o 180.551 3.6407  17686.00   711.952  18207.46   1429.22  17513.90   821.075  182.706 7.2223  179.614 4.2206  3.092041       8.365115  
1 1 1 3   51  17 o 35.608  1.7786  687.021    68.596   937.944    352.001  677.116    69.937   40.658  8.2748  35.302  1.8354  5.355751       8.475942  
1 1 1 3   51  18 o 99.656  2.9478  5388.91    318.183  5449.07    639.269  5369.09    366.852  99.740  5.9446  99.441  3.4061  0.2992020      6.851250  
1 1 1 3   51  19 o 161.013 3.4167  14087.99   595.861  14963.45   1193.78  13797.51   687.646  165.149 6.6739  159.246 3.9868  5.902374       7.774019  
1 1 1 3   51  20 o 47.962  2.3045  1248.20    119.713  1192.00    448.229  1252.52    124.225  45.395  9.4247  48.041  2.3874  -2.646255      9.722400  
1 1 1 3   51  21 o 93.870  2.7771  4788.17    282.353  4930.02    659.155  4756.29    312.472  94.328  6.4912  93.520  3.0849  0.8082809      7.186972  
1 1 1 3   51  22 o 136.038 3.3317  10081.42   490.905  9360.80    997.581  10311.68   563.907  129.545 7.1373  137.464 3.7874  -7.919510      8.079995  
1 1 1 3   51  23 o 119.545 3.1198  7786.82    403.954  8508.74    854.526  7579.06    458.408  123.605 6.4049  117.822 3.5921  5.782478       7.343440  
1 1 1 3   51  24 o 90.556  2.8993  4469.30    284.371  4762.98    666.857  4404.03    314.390  91.986  6.7403  89.823  3.2315  2.162689       7.474894  
1 1 1 3   51  25 o 26.979  6.8248  426.336    199.574  163.053    464.630  485.902    221.000  25.041  10.402  28.746  7.1322  -3.705549      12.61234  
1 1 1 3   51  26 o 43.780  4.9788  1078.41    231.885  721.534    502.083  1175.17    261.437  34.273  11.484  45.579  5.4009  -11.30558      12.69041  
1 1 1 3   51  27 o 93.630  2.7889  4795.83    282.822  4404.32    494.779  4985.83    344.685  88.504  5.1842  95.258  3.3408  -6.754242      6.167361  
1 1 1 3   51  28 o 26.255  7.7359  424.587    234.884  266.302    489.474  471.940    267.723  25.586  10.657  27.511  8.2956  -1.924294      13.50479  
1 1 1 3   51  29 o 33.615  1.1913  614.011    43.373   0.0000     0.0000   614.011    43.373   ?       ?       33.615  1.1913  0.000000       1.191307  
1 1 1 3   51  30 o 58.176  6.0924  2035.95    378.193  0.0000     0.0000   2035.95    378.193  ?       ?       58.176  6.0924  0.000000       6.092383  
1 1 1 3   51  31 o 25.297  9.5492  438.438    357.396  0.0000     0.0000   438.438    357.396  ?       ?       25.297  9.5492  0.000000       9.549235  
1 1 1 3   51  32 f 26.484  9.8396  525.848    376.438  0.0000     0.0000   525.848    376.438  ?       ?       26.484  9.8396  0.000000       9.839643  
1 1 1 3   52  0  o 131.350 3.0332  9347.27    431.520  9271.79    611.511  9422.13    609.019  130.789 4.3168  131.847 4.2647  -1.057480      6.068172  
1 1 1 3   52  1  o 82.463  2.7187  3683.92    242.825  3705.26    343.618  3662.64    343.194  82.687  3.8368  82.210  3.8543  0.4772034      5.438439  
1 1 1 3   52  2  o 250.000 4.5088  33880.20   1220.88  34162.93   1727.34  33597.97   1725.82  250.920 6.3558  248.833 6.4035  2.087067       9.022248  
1 1 1 3   52  3  o 166.592 3.3765  15038.13   609.245  15159.85   862.533  14916.93   860.674  167.218 4.7624  165.872 4.7907  1.346283       6.755044  
1 1 1 3   52  4  o 170.869 3.4807  15821.11   644.172  16209.08   912.026  15434.88   909.973  172.899 4.8702  168.715 4.9797  4.184326       6.965345  
1 1 1 3   52  5  o 140.458 3.1099  10689.55   473.111  10738.08   671.248  10641.65   666.933  140.740 4.4035  140.107 4.3949  0.6330719      6.221423  
1 1 1 3   52  6  o 328.012 5.6854  58371.94   2019.87  58867.86   2857.03  57876.38   2856.02  329.109 8.0150  326.316 8.0808  2.792908       11.38153  
1 1 1 3   52  7  o 136.604 3.0411  10111.30   449.951  10394.81   640.883  9835.70    631.866  138.469 4.2732  134.692 4.3312  3.777420       6.084410  
1 1 1 3   52  8  o 301.593 5.3314  49345.30   1741.54  46958.61   2463.91  51728.11   2461.90  293.924 7.7396  308.543 7.3669  -14.61923      10.68517  
1 1 1 3   52  9  o 343.218 5.9325  63940.39   2205.36  64849.39   3120.49  63033.30   3117.20  345.263 8.3445  340.373 8.4555  4.889374       11.87968  
1 1 1 3   52  10 o 443.868 7.4143  107100.90  3564.45  110915.10  5043.48  103294.60  5038.31  450.901 10.327  435.021 10.693  15.88025       14.86580  
1 1 1 3   52  11 o 111.226 3.3931  6705.37    408.762  6667.49    715.746  6723.71    497.956  110.650 5.9946  111.355 4.1287  -0.7047501     7.278791  
1 1 1 3   52  12 o 135.182 3.7061  9907.44    542.631  10095.40   670.972  9552.12    922.547  136.420 4.5411  132.587 6.4242  3.832703       7.867098  
1 1 1 3   52  13 o 256.911 5.8114  35853.64   1617.08  34986.51   2556.99  36431.61   2087.56  253.177 9.3247  258.719 7.4497  -5.542313      11.93519  
1 1 1 3   52  14 o 163.027 3.4534  14410.73   609.783  13747.37   1217.89  14632.67   704.440  158.921 7.0755  164.246 3.9599  -5.324341      8.108187  
1 1 1 3   52  15 o 227.736 4.5326  28156.50   1118.02  26726.55   2101.92  28720.69   1320.29  221.128 8.7761  229.902 5.3022  -8.773788      10.25345  
1 1 1 3   52  16 o 209.301 4.0173  23780.46   910.689  22469.81   1822.98  24216.31   1051.27  202.660 8.3051  211.132 4.5971  -8.472183      9.492534  
1 1 1 3   52  17 o 77.295  2.9178  3240.76    244.272  3596.05    507.614  3133.69    278.658  81.021  5.8233  75.986  3.3858  5.035255       6.736086  
1 1 1 3   52  18 o 117.245 2.9979  7460.69    380.696  6324.36    765.654  7833.87    438.779  107.296 6.6207  120.106 3.3729  -12.81054      7.430392  
1 1 1 3   52  19 o 77.867  2.9722  3292.75    250.668  3208.94    502.662  3320.49    289.193  76.289  6.1353  78.160  3.4161  -1.871452      7.022218  
1 1 1 3   52  20 o 79.551  3.0941  3439.89    266.591  3735.39    565.152  3355.32    302.343  82.163  6.4012  78.520  3.5551  3.642448       7.322128  
1 1 1 3   52  21 o 163.330 3.4717  14526.62   614.150  14994.43   1243.44  14375.67   706.316  164.572 6.9758  162.328 4.0173  2.244049       8.049915  
1 1 1 3   52  22 o 96.631  3.1580  5084.96    330.522  5559.62    699.387  4948.46    375.046  99.952  6.4956  95.239  3.6358  4.713219       7.443902  
1 1 1 3   52  23 o 29.008  6.2741  484.494    191.389  402.985    457.794  501.757    210.685  29.020  10.837  29.442  6.7508  -0.4227905     12.76786  
1 1 1 3   52  24 o 48.941  4.1583  1323.82    218.333  1396.36    500.703  1306.78    242.614  48.210  9.9199  48.494  4.6771  -0.2840385     10.96717  
1 1 1 3   52  25 o 120.009 3.2640  7877.71    424.262  8330.17    870.431  7736.72    485.887  121.366 6.6469  118.729 3.7784  2.636292       7.645788  
1 1 1 3   52  26 o 66.963  2.4870  2444.95    180.378  1887.35    559.198  2509.71    190.564  55.686  9.6194  67.823  2.5941  -12.13775      9.963028  
1 1 1 3   52  27 o 32.461  6.2702  618.729    212.467  636.430    488.998  614.609    235.898  32.096  11.312  32.087  6.9859  0.8998871E-02  13.29509  
1 1 1 3   52  28 o 14.704  2.2977  121.021    35.396   53.279     481.024  121.390    35.492   22.704  10.015  14.727  2.3004  7.977314       10.27532  
1 1 1 3   52  29 o 47.051  6.7791  1349.12    335.500  0.0000     0.0000   1349.12    335.500  ?       ?       47.051  6.7791  0.000000       6.779106  
1 1 1 3   52  30 o 31.458  9.4985  698.166    350.826  0.0000     0.0000   698.166    350.826  ?       ?       31.458  9.4985  0.000000       9.498537  
1 1 1 3   52  31 o 18.228  8.2081  -1.5944    340.970  0.0000     0.0000   -1.5944    340.970  ?       ?       18.228  8.2081  0.000000       8.208073  
1 1 1 3   52  32 o 15.920  7.6592  -339.3176  388.409  0.0000     0.0000   -339.3176  388.409  ?       ?       15.920  7.6592  0.000000       7.659207  
1 1 1 3   53  0  o 272.976 4.8538  40401.46   1435.08  41342.86   2030.25  39461.43   2028.77  275.984 6.7920  269.617 6.9473  6.367096       9.715768  
1 1 1 3   53  1  o 92.730  2.7906  4658.54    280.280  4545.28    392.812  4776.01    400.037  91.578  3.9603  93.874  3.9345  -2.296089      5.582451  
1 1 1 3   53  2  o 127.316 2.9062  8781.96    400.754  9023.76    565.969  8538.82    567.537  129.031 4.0498  125.512 4.1748  3.518234       5.816337  
1 1 1 3   53  3  o 355.331 6.5752  68531.33   2530.53  69185.27   3904.73  68057.80   3322.72  356.473 10.113  353.807 8.6708  2.666870       13.32148  
1 1 1 3   53  4  o 564.257 9.3858  173240.09  5736.12  175030.20  8112.94  171450.80  8111.27  565.845 13.238  559.976 13.374  5.869690       18.81725  
1 1 1 3   53  5  o 363.522 6.2428  71719.94   2457.98  72896.96   3477.29  70544.51   3474.93  366.108 8.7692  360.128 8.9088  5.980347       12.50063  
1 1 1 3   53  6  o 577.513 9.4930  181568.41  5937.97  185778.91  8398.24  177359.20  8396.87  582.703 13.307  569.208 13.620  13.49597       19.04133  
1 1 1 3   53  7  o 492.256 8.2776  131771.59  4413.32  133179.09  6242.08  130364.70  6240.68  493.871 11.669  488.582 11.793  5.288788       16.59060  
1 1 1 3   53  8  f 172.667 3.4465  16157.97   644.545  16891.16   915.353  15436.93   907.743  176.479 4.7888  168.702 4.9679  7.777206       6.900165  
1 1 1 3   53  9  o 232.671 4.2924  29353.44   1081.72  30606.58   1532.45  28108.99   1527.12  237.450 5.9586  227.533 6.1967  9.916443       8.596738  
1 1 1 3   53  10 o 256.859 4.6254  35783.64   1286.80  36639.31   1824.51  34936.75   1815.13  259.722 6.4859  253.602 6.6082  6.120499       9.259336  
1 1 1 3   53  11 o 165.738 3.9856  14894.06   715.461  15717.47   1244.73  14487.79   874.325  170.063 6.7576  163.408 4.9400  6.655014       8.370757  
1 1 1 3   53  12 o 143.440 3.7911  11156.05   588.978  11222.32   727.540  11030.04   1003.28  143.819 4.6706  142.458 6.5022  1.361496       8.005832  
1 1 1 3   53  13 o 78.417  3.3681  3333.65    286.069  3003.47    500.548  3493.80    348.611  74.070  6.2991  80.261  4.0102  -6.190979      7.467292  
1 1 1 3   53  14 o 164.178 3.4617  14616.35   615.570  13090.68   1228.47  15127.86   711.315  155.023 7.3164  166.995 3.9327  -11.97188      8.306396  
1 1 1 3   53  15 o 89.808  2.9142  4372.66    283.468  4083.79    566.531  4469.13    327.398  86.420  6.0916  90.778  3.3299  -4.358299      6.942286  
1 1 1 3   53  16 o 99.323  2.9641  5349.96    318.869  5254.52    628.329  5383.07    370.064  98.047  5.9448  99.606  3.4302  -1.558594      6.863458  
1 1 1 3   53  17 o 65.077  2.4976  2296.47    176.042  2232.38    454.008  2307.81    190.984  63.569  6.6947  65.231  2.7032  -1.661999      7.219799  
1 1 1 3   53  18 o 182.747 3.6802  18150.81   728.431  18386.99   1463.38  18073.02   839.876  182.944 7.3853  182.245 4.2549  0.6988831      8.523331  
1 1 1 3   53  19 o 118.886 3.0388  7678.03    391.294  7994.28    815.922  7583.58    445.918  120.545 6.2709  118.094 3.4862  2.450401       7.174847  
1 1 1 3   53  20 o 150.409 3.4687  12311.57   565.078  12422.62   1115.80  12273.26   655.331  150.020 6.8670  150.046 4.0324  -0.2569580E-01 7.963400  
1 1 1 3   53  21 o 143.456 3.2955  11203.06   512.052  11076.52   1042.47  11243.30   587.855  141.449 6.8044  143.595 3.7797  -2.146027      7.783751  
1 1 1 3   53  22 o 81.048  3.1929  3578.25    280.284  3404.51    598.236  3627.12    317.259  77.837  7.1768  81.536  3.5925  -3.698166      8.025780  
1 1 1 3   53  23 o 44.082  4.6166  1078.66    217.151  909.383    486.445  1120.78    242.672  38.809  11.044  44.828  5.0882  -6.019203      12.16005  
1 1 1 3   53  24 o 62.037  2.4273  2094.34    163.095  1905.50    536.395  2113.58    171.201  56.891  9.0048  62.308  2.5369  -5.416187      9.355310  
1 1 1 3   53  25 o 17.127  6.9436  80.532     200.646  -72.9886   453.527  117.893    223.732  21.793  9.6626  18.640  7.4088  3.152622       12.17599  
1 1 1 3   53  26 o 57.537  3.8905  1831.27    241.025  2204.93    539.154  1737.94    269.448  61.007  8.3808  55.849  4.4924  5.157940       9.508942  
1 1 1 3   53  27 o 19.661  2.3403  213.907    48.857   261.616    477.542  213.402    49.114   25.862  10.625  19.634  2.3566  6.227211       10.88326  
1 1 1 3   53  28 o 33.714  6.7442  691.297    237.665  1099.21    499.798  572.107    270.165  39.407  11.188  29.978  8.1198  9.428816       13.82405  
1 1 1 3   53  29 o 21.725  8.7407  224.916    315.319  0.0000     0.0000   224.916    315.319  ?       ?       21.725  8.7407  0.000000       8.740697  
1 1 1 3   53  30 o 22.672  8.6806  303.343    297.980  0.0000     0.0000   303.343    297.980  ?       ?       22.672  8.6806  0.000000       8.680645  
1 1 1 3   53  31 o 21.369  9.1976  188.865    385.099  0.0000     0.0000   188.865    385.099  ?       ?       21.369  9.1976  0.000000       9.197621  
1 1 1 3   53  32 o 42.352  9.4354  1307.88    421.734  0.0000     0.0000   1307.88    421.734  ?       ?       42.352  9.4354  0.000000       9.435437  
1 1 1 3   54  0  o 156.526 3.2985  13275.69   559.198  13466.47   792.884  13086.88   788.784  157.602 4.6449  155.364 4.6875  2.238724       6.599055  
1 1 1 3   54  1  o 136.131 3.0744  10040.81   453.308  10086.71   641.612  9995.06    640.537  136.408 4.3427  135.786 4.3553  0.6215057      6.150435  
1 1 1 3   54  2  o 377.553 6.4521  77367.10   2638.47  78073.05   3732.20  76661.79   3730.51  378.859 9.0953  375.404 9.1748  3.454193       12.91908  
1 1 1 3   54  3  o 201.059 3.9117  21910.18   851.841  21476.27   1204.63  22344.17   1204.74  198.972 5.5897  202.959 5.4804  -3.987259      7.828166  
1 1 1 3   54  4  o 338.654 5.9075  62229.43   2166.88  61456.57   3064.98  63001.73   3063.87  336.209 8.4168  340.426 8.3095  -4.217255      11.82757  
1 1 1 3   54  5  o 208.157 3.9552  23486.36   891.726  23904.89   1262.74  23070.00   1259.44  209.911 5.5540  206.208 5.6390  3.703857       7.914920  
1 1 1 3   54  6  o 315.233 5.4956  53912.34   1876.35  54400.99   2654.83  53424.63   2652.28  316.377 7.7475  313.516 7.8107  2.861115       11.00140  
1 1 1 3   54  7  o 538.654 8.9113  157907.20  5199.03  162263.91  7353.62  153553.09  7351.46  544.755 12.463  529.788 12.812  14.96741       17.87364  
1 1 1 3   54  8  o 230.403 4.2973  28783.22   1072.40  28364.89   1518.66  29199.30   1514.55  228.579 6.1341  231.927 6.0292  -3.347351      8.601112  
1 1 1 3   54  9  f 265.606 4.7889  38264.91   1377.66  38323.20   1951.41  38206.99   1945.21  265.598 6.7835  265.197 6.7722  0.4016113      9.585286  
1 1 1 3   54  10 o 182.868 4.2284  18133.66   837.494  18465.81   1455.84  17969.38   1023.87  184.296 7.2934  181.977 5.1947  2.319305       8.954228  
1 1 1 3   54  11 o 221.527 5.9352  26651.57   1424.08  24563.73   2015.66  28732.35   2012.25  212.319 8.7651  229.734 8.0870  -17.41531      11.92587  
1 1 1 3   54  12 o 225.458 4.9233  27587.15   1202.23  27405.46   1475.65  27945.81   2073.31  224.590 6.0663  226.446 8.4534  -1.856415      10.40476  
1 1 1 3   54  13 o 210.438 4.0182  24020.47   915.849  24248.24   1299.13  23795.42   1291.32  211.265 5.6775  209.281 5.6968  1.984177       8.042840  
1 1 1 3   54  14 o 271.194 4.8809  39938.64   1433.68  40806.09   2870.10  39650.22   1654.95  273.019 9.7059  270.086 5.6574  2.932983       11.23430  
1 1 1 3   54  15 o 241.546 4.4604  31684.46   1166.94  31865.23   2337.54  31624.45   1346.76  241.225 8.9468  241.205 5.1551  0.1997375E-01  10.32568  
1 1 1 3   54  16 o 243.210 4.6687  32156.32   1229.84  30644.36   2304.82  32758.17   1454.16  236.198 9.0093  245.300 5.4732  -9.102707      10.54152  
1 1 1 3   54  17 o 331.436 5.8027  59935.26   2083.05  58445.33   4166.69  60431.72   2405.19  323.464 11.893  332.404 6.6806  -8.940399      13.64095  
1 1 1 3   54  18 o 66.019  3.0178  2366.51    215.791  1745.04    447.586  2554.72    246.307  55.819  7.6009  68.576  3.3162  -12.75665      8.292840  
1 1 1 3   54  19 o 14.997  6.0514  55.070     151.615  -38.7094   391.928  71.573     164.415  21.255  9.2133  15.906  6.3419  5.349779       11.18506  
1 1 1 3   54  20 o 52.006  3.7339  1480.77    208.922  1364.39    465.418  1510.14    233.802  48.612  9.1759  52.456  4.1490  -3.843719      10.07032  
1 1 1 3   54  21 o 67.723  3.2145  2496.69    235.788  2616.76    517.214  2465.19    264.918  68.313  7.0938  67.146  3.6565  1.167152       7.980709  
1 1 1 3   54  22 o 70.427  3.2675  2703.15    249.248  2733.81    529.447  2694.42    282.512  69.681  7.1150  70.150  3.7317  -0.4686356     8.034189  
1 1 1 3   54  23 o 29.390  6.4337  499.142    199.118  175.221    439.504  582.799    223.356  24.986  10.221  31.743  6.7067  -6.756180      12.22477  
1 1 1 3   54  24 o 88.811  3.3306  4311.93    320.372  4870.46    662.336  4141.34    366.042  92.899  6.6261  86.888  3.8895  6.010193       7.683315  
1 1 1 3   54  25 o 35.587  5.5279  722.072    206.155  822.004    482.626  699.769    228.002  36.327  11.176  34.780  6.2838  1.547390       12.82116  
1 1 1 3   54  26 o 22.721  1.3616  281.176    33.353   88.612     462.212  282.184    33.440   23.671  10.130  22.761  1.3627  0.9098606      10.22092  
1 1 1 3   54  27 o 40.388  5.6946  943.151    242.193  879.919    506.641  961.881    275.739  36.198  11.498  40.414  6.5213  -4.216366      13.21847  
1 1 1 3   54  28 o 21.745  8.1350  256.803    258.182  0.0000     0.0000   256.803    258.182  ?       ?       21.745  8.1350  0.000000       8.134958  
1 1 1 3   54  29 o 22.004  8.7612  244.343    313.383  0.0000     0.0000   244.343    313.383  ?       ?       22.004  8.7612  0.000000       8.761238  
1 1 1 3   54  30 f 26.966  9.3267  504.084    331.608  0.0000     0.0000   504.084    331.608  ?       ?       26.966  9.3267  0.000000       9.326734  
1 1 1 3   54  31 o 21.287  8.9135  222.812    345.033  0.0000     0.0000   222.812    345.033  ?       ?       21.287  8.9135  0.000000       8.913456  
1 1 1 3   55  0  o 167.547 3.4118  15211.91   619.148  15327.48   876.065  15096.58   875.150  168.130 4.8109  166.857 4.8425  1.272598       6.825970  
1 1 1 3   55  1  o 230.546 4.5939  28817.21   1147.12  29639.44   1743.81  28189.99   1523.05  233.645 6.8908  227.919 6.1697  5.726517       9.249256  
1 1 1 3   55  2  o 285.760 5.1001  44285.91   1578.51  43445.87   2232.19  45126.20   2232.52  282.826 7.2869  288.259 7.1506  -5.433044      10.20927  
1 1 1 3   55  3  f 246.541 4.5337  32955.09   1210.63  33824.05   1711.56  32085.03   1712.63  249.633 6.3302  243.116 6.5040  6.517242       9.076000  
1 1 1 3   55  4  o 234.675 4.3866  29857.72   1114.97  29768.27   1576.60  29947.23   1577.02  234.193 6.2155  234.897 6.1986  -0.7043152     8.778083  
1 1 1 3   55  5  o 209.146 3.9740  23710.94   900.228  23612.32   1273.78  23809.36   1272.45  208.612 5.6375  209.483 5.6082  -0.8706818     7.951911  
1 1 1 3   55  6  o 313.862 5.4911  53446.64   1866.67  53547.34   2641.19  53346.14   2638.54  313.866 7.7693  313.275 7.7762  0.5912170      10.99237  
1 1 1 3   55  7  o 292.349 5.1998  46365.52   1646.48  44871.86   2329.84  47855.67   2327.11  287.334 7.4863  296.768 7.2398  -9.433990      10.41441  
1 1 1 3   55  8  o 250.154 4.5478  33935.78   1232.20  34061.87   1745.90  33810.65   1739.30  250.444 6.4363  249.519 6.4358  0.9252014      9.101933  
1 1 1 3   55  9  o 237.043 4.3721  30470.73   1122.49  30568.67   1590.97  30373.65   1583.95  237.262 6.1910  236.505 6.1834  0.7572632      8.750067  
1 1 1 3   55  10 o 32.315  5.1984  580.956    175.780  711.638    322.740  525.839    209.596  35.448  8.5131  30.532  6.5354  4.915611       10.73242  
1 1 1 3   55  11 o 257.208 5.4170  35916.05   1509.08  35836.46   1850.27  36074.18   2608.08  256.761 6.6533  257.141 9.3644  -0.3795166     11.48730  
1 1 1 3   55  12 o 85.829  2.7471  3992.19    255.371  3913.24    410.763  4041.93    326.039  84.809  4.4877  86.344  3.4863  -1.534805      5.682783  
1 1 1 3   55  13 o 185.788 3.7103  18720.22   746.624  19052.44   1064.30  18398.30   1047.67  187.293 5.2465  184.049 5.2556  3.244247       7.426123  
1 1 1 3   55  14 o 134.073 3.1379  9746.61    455.665  10802.96   914.860  9398.10    525.483  140.924 5.9938  131.624 3.6860  9.300369       7.036453  
1 1 1 3   55  15 o 104.608 2.8377  5933.37    321.516  5967.34    666.936  5923.09    366.974  104.530 5.9151  104.498 3.2423  0.3170013E-01  6.745415  
1 1 1 3   55  16 o 121.642 3.0562  8027.70    402.658  7498.57    798.991  8207.84    466.186  117.053 6.3256  122.965 3.5003  -5.911720      7.229494  
1 1 1 3   55  17 o 149.880 3.3035  12197.65   536.275  10283.48   1065.50  12847.06   620.613  136.753 7.2192  153.762 3.7265  -17.00945      8.124234  
1 1 1 3   55  18 o 100.525 2.9153  5486.90    317.420  5619.42    647.005  5444.90    364.270  101.148 5.9317  100.096 3.3600  1.051865       6.817261  
1 1 1 3   55  19 o 125.160 3.1837  8515.71    431.582  8485.63    881.046  8525.21    495.044  124.005 6.5834  125.155 3.6520  -1.150108      7.528461  
1 1 1 3   55  20 o 42.007  4.4710  974.564    200.291  695.155    435.666  1049.45    225.539  34.793  10.603  43.533  4.8666  -8.739891      11.66626  
1 1 1 3   55  21 o 92.147  3.0237  4620.77    301.781  4643.98    639.970  4614.13    342.219  91.362  6.5099  92.017  3.4337  -0.6543427     7.359961  
1 1 1 3   55  22 o 46.554  4.0418  1194.15    201.773  1180.94    449.782  1197.48    225.765  44.690  9.5801  46.516  4.5389  -1.826248      10.60096  
1 1 1 3   55  23 o 28.783  6.7367  481.334    206.300  599.076    414.897  442.662    237.777  32.155  10.425  27.570  7.6784  4.584541       12.94767  
1 1 1 3   55  24 f 71.214  3.4785  2775.73    268.305  2794.38    564.297  2770.28    304.984  69.737  7.5936  70.920  3.9866  -1.183319      8.576490  
1 1 1 3   55  25 o 45.112  2.1012  1107.15    102.666  1058.67    501.160  1109.27    104.890  40.946  11.046  45.151  2.1449  -4.205120      11.25236  
1 1 1 3   55  26 o 16.976  6.9429  75.407     202.767  18.558     461.344  89.018     225.739  22.725  9.9214  17.954  7.3324  4.770840       12.33692  
1 1 1 3   55  27 o 32.990  6.1657  643.752    212.212  949.010    495.175  575.073    234.874  37.319  11.288  30.729  7.1854  6.589924       13.38125  
1 1 1 3   55  28 o 21.693  7.8924  266.249    240.137  0.0000     0.0000   266.249    240.137  ?       ?       21.693  7.8924  0.000000       7.892375  
1 1 1 3   55  29 o 20.445  8.2663  188.254    283.539  0.0000     0.0000   188.254    283.539  ?       ?       20.445  8.2663  0.000000       8.266306  
1 1 1 3   55  30 f 38.564  8.7934  1017.49    359.142  0.0000     0.0000   1017.49    359.142  ?       ?       38.564  8.7934  0.000000       8.793366  
1 1 1 3   55  31 o 18.569  8.6003  -87.8850   410.301  0.0000     0.0000   -87.8850   410.301  ?       ?       18.569  8.6003  0.000000       8.600250  
1 1 1 3   56  0  o 127.760 3.0738  8844.31    425.343  8997.16    612.216  8701.68    591.377  128.824 4.3877  126.694 4.3096  2.130684       6.150186  
1 1 1 3   56  1  o 229.106 4.2554  28454.95   1055.97  28238.86   1493.37  28671.04   1493.36  228.116 6.0442  229.859 5.9984  -1.742554      8.515474  
1 1 1 3   56  2  o 41.634  3.2330  944.941    144.644  960.563    199.197  927.516    210.374  41.855  4.4629  41.077  4.8201  0.7780457      6.568925  
1 1 1 3   56  3  f 206.914 3.9472  23206.71   884.598  23185.67   1251.30  23227.72   1250.73  206.727 5.5885  206.915 5.5809  -0.1879272     7.897906  
1 1 1 3   56  4  o 255.855 4.6389  35496.36   1285.52  36785.33   1818.64  34209.21   1817.36  260.304 6.4505  251.001 6.6849  9.303040       9.289646  
1 1 1 3   56  5  o 188.740 3.6832  19307.46   752.947  19566.22   1067.69  19051.47   1061.98  189.923 5.1904  187.405 5.2320  2.517365       7.369787  
1 1 1 3   56  6  o 39.458  3.4179  850.129    144.630  775.118    208.751  919.375    200.570  37.430  5.2971  40.918  4.6058  -3.487427      7.019413  
1 1 1 3   56  7  o 347.358 5.9702  65496.07   2246.13  68215.51   3178.20  62782.42   3174.82  354.112 8.2865  339.653 8.6301  14.45914       11.96426  
1 1 1 3   56  8  o 286.981 5.0717  44680.25   1576.45  46875.37   2232.25  42496.18   2226.62  293.708 7.0171  279.606 7.3524  14.10199       10.16353  
1 1 1 3   56  9  o 191.647 4.3776  19918.63   908.667  18594.68   1579.51  20573.53   1110.90  184.875 7.8881  194.711 5.2676  -9.835449      9.485282  
1 1 1 3   56  10 o 124.889 4.4248  8460.02    598.530  8586.99    829.630  8322.20    864.333  125.734 6.0920  123.589 6.4796  2.145729       8.893691  
1 1 1 3   56  11 o 70.109  3.5955  2671.88    272.104  2677.63    342.470  2662.03    448.116  70.107  4.5344  69.747  5.9901  0.3606796      7.512762  
1 1 1 3   56  12 o 152.326 3.3590  12579.61   554.184  12582.04   792.666  12577.29   775.097  152.253 4.8068  152.232 4.7009  0.2130127E-01  6.723362  
1 1 1 3   56  13 o 111.084 2.9936  6689.30    360.174  6828.28    528.232  6568.55    492.383  112.169 4.3479  110.027 4.1318  2.142693       5.997977  
1 1 1 3   56  14 o 10.043  2.8242  56.139     32.006   314.892    303.640  53.232     32.185   25.474  8.9183  9.8183  2.8552  15.65543       9.364194  
1 1 1 3   56  15 o 163.986 3.4448  14591.89   611.849  14478.10   1227.99  14629.47   705.681  162.852 6.9620  164.144 3.9693  -1.292572      8.014013  
1 1 1 3   56  16 o 114.350 3.0144  7094.73    373.342  6471.77    765.523  7289.14    427.648  108.643 6.5360  115.876 3.4074  -7.232925      7.370890  
1 1 1 3   56  17 o 242.115 4.7680  31937.07   1250.34  28647.93   2341.60  33248.92   1478.81  227.289 9.5118  246.782 5.5326  -19.49301      11.00386  
1 1 1 3   56  18 o 63.634  3.1401  2200.07    216.424  2059.42    509.999  2230.96    239.013  60.548  7.9705  63.965  3.4628  -3.416950      8.690256  
1 1 1 3   56  19 o 152.801 3.3930  12701.68   561.535  13190.64   1135.15  12543.26   646.129  154.673 6.7759  151.728 3.9317  2.945251       7.834028  
1 1 1 3   56  20 o 78.752  2.6098  3369.18    222.608  3486.29    564.100  3347.58    242.270  79.172  6.6396  78.475  2.8503  0.6965714      7.225589  
1 1 1 3   56  21 o 117.225 3.0869  7480.93    391.934  6921.96    819.588  7646.66    446.269  111.440 6.8231  118.432 3.4790  -6.991966      7.658851  
1 1 1 3   56  22 o 27.840  1.4902  421.524    44.772   456.012    408.781  421.105    45.043   29.370  10.343  27.825  1.5001  1.544827       10.45158  
1 1 1 3   56  23 o 58.907  2.3974  1887.50    152.959  1967.65    487.915  1878.76    161.079  58.433  7.9128  58.755  2.5312  -0.3220940     8.307807  
1 1 1 3   56  24 o 107.821 3.1991  6354.52    373.599  5962.18    756.088  6481.25    429.724  102.557 6.8460  108.740 3.6486  -6.182800      7.757641  
1 1 1 3   56  25 o 104.534 3.2292  5982.90    365.608  6166.80    750.639  5925.71    418.619  104.090 6.6936  103.847 3.7218  0.2428894      7.658763  
1 1 1 3   56  26 o 48.364  4.3598  1307.83    225.923  1367.40    520.235  1293.99    250.808  46.230  10.614  47.909  4.9025  -1.678486      11.69145  
1 1 1 3   56  27 o 52.430  4.3941  1550.34    247.229  881.144    536.814  1730.49    278.525  35.505  11.874  55.257  4.6983  -19.75254      12.77015  
1 1 1 3   56  28 o 46.175  7.0071  1302.05    339.434  0.0000     0.0000   1302.05    339.434  ?       ?       46.175  7.0071  0.000000       7.007055  
1 1 1 3   56  29 o 26.584  9.1699  469.532    320.444  0.0000     0.0000   469.532    320.444  ?       ?       26.584  9.1699  0.000000       9.169886  
1 1 1 3   56  30 o 33.365  9.9500  821.686    386.734  0.0000     0.0000   821.686    386.734  ?       ?       33.365  9.9500  0.000000       9.949998  
1 1 1 3   56  31 o 48.392  7.5574  1530.15    383.159  0.0000     0.0000   1530.15    383.159  ?       ?       48.392  7.5574  0.000000       7.557432  
1 1 1 3   57  0  f 104.913 3.2878  5964.45    373.603  6172.39    647.933  5860.88    457.275  106.513 5.6364  103.981 4.0602  2.532196       6.946585  
1 1 1 3   57  1  o 82.289  2.5381  3668.48    226.211  3610.32    292.639  3754.83    356.575  81.623  3.3101  83.230  3.9555  -1.606178      5.157820  
1 1 1 3   57  2  o 289.465 5.1031  45445.99   1599.91  43694.50   2262.74  47197.08   2262.49  283.597 7.3665  294.779 7.0863  -11.18256      10.22163  
1 1 1 3   57  3  o 422.897 7.1343  97146.34   3267.82  96966.38   4622.02  97326.22   4620.77  421.859 10.116  422.647 10.094  -0.7874756     14.29045  
1 1 1 3   57  4  o 468.088 7.8884  119108.90  3999.33  118692.40  5656.32  119525.20  5655.50  466.372 11.198  468.019 11.157  -1.646301      15.80705  
1 1 1 3   57  5  o 309.139 5.4289  51850.59   1817.76  52010.38   2571.68  51691.03   2569.73  309.329 7.6759  308.375 7.6937  0.9537964      10.86796  
1 1 1 3   57  6  o 156.665 3.2938  13301.24   558.915  13580.92   792.713  13024.77   788.157  158.249 4.6249  154.972 4.6956  3.277374       6.590776  
1 1 1 3   57  7  o 22.252  5.2952  279.484    125.771  417.044    205.349  196.905    159.104  27.190  6.9473  19.543  6.4619  7.646631       9.487963  
1 1 1 3   57  8  o 222.202 4.8285  26783.21   1162.07  26027.90   2018.34  27157.75   1421.28  218.659 8.5223  223.661 5.8670  -5.001389      10.34656  
1 1 1 3   57  9  o 203.792 4.5395  22527.21   1001.99  21611.27   1741.49  22980.48   1225.08  199.263 8.0691  205.755 5.4972  -6.492523      9.763707  
1 1 1 3   57  10 o 150.247 4.6828  12247.79   762.056  11581.15   1081.40  12905.42   1074.06  145.948 6.8410  154.102 6.4350  -8.153488      9.391918  
1 1 1 3   57  11 f 14.740  6.2703  -1.0887    175.214  -43.6776   228.737  59.385     272.565  16.091  7.0066  19.432  8.0104  -3.341116      10.64230  
1 1 1 3   57  12 o 175.685 3.5962  16737.83   684.307  17084.61   974.701  16400.76   960.959  177.377 5.0735  173.788 5.1052  3.589172       7.197455  
1 1 1 3   57  13 o 135.188 3.2182  9909.67    471.216  9839.08    675.676  9976.51    657.495  134.615 4.6342  135.563 4.4780  -0.9485931     6.444232  
1 1 1 3   57  14 o 142.655 3.7346  11043.37   577.039  10663.31   1002.12  11231.90   705.792  139.875 6.6147  143.799 4.5316  -3.923676      8.018048  
1 1 1 3   57  15 o 37.864  4.0754  787.706    164.502  839.680    330.481  770.587    189.669  38.429  8.1904  37.340  4.8010  1.089039       9.493845  
1 1 1 3   57  16 o 67.380  2.4716  2462.06    180.379  2457.69    438.291  2462.96    197.917  66.808  6.1252  67.382  2.7119  -0.5737534     6.698713  
1 1 1 3   57  17 o 75.794  2.9196  3118.66    239.679  2973.04    476.771  3167.91    277.260  73.470  6.0450  76.361  3.3523  -2.890564      6.912347  
1 1 1 3   57  18 o 175.976 3.7464  16852.75   714.063  17532.51   1390.43  16609.25   832.188  178.324 7.1990  174.538 4.4021  3.785202       8.438211  
1 1 1 3   57  19 o 87.175  3.0691  4131.39    289.788  3772.58    612.070  4235.06    328.999  82.386  6.9234  88.218  3.4432  -5.832001      7.732375  
1 1 1 3   57  20 o 17.984  6.6824  139.618    173.631  -534.5918  483.244  239.560    186.055  18.802  8.9049  21.210  6.9866  -2.407471      11.31856  
1 1 1 3   57  21 o 13.781  5.8466  7.0902     151.612  -76.4099   395.160  21.503     164.176  20.672  9.0995  14.634  6.1392  6.037775       10.97683  
1 1 1 3   57  22 o 40.457  4.7242  911.298    203.111  1428.78    438.903  770.276    229.120  49.582  8.4775  36.846  5.9434  12.73581       10.35332  
1 1 1 3   57  23 o 53.800  3.7399  1592.56    216.576  1565.85    478.120  1599.46    242.928  51.558  8.8826  53.807  4.2017  -2.249691      9.826221  
1 1 1 3   57  24 o 43.746  4.4904  1066.64    209.745  1631.32    457.476  916.351    236.013  52.677  8.2923  40.199  5.5703  12.47800       9.989502  
1 1 1 3   57  25 o 35.132  5.7686  708.501    211.887  633.349    442.990  730.795    241.276  32.394  10.786  35.435  6.5271  -3.041168      12.60710  
1 1 1 3   57  26 o 31.177  6.2656  572.195    204.237  361.563    467.538  621.867    227.046  27.283  10.752  32.374  6.6961  -5.090891      12.66689  
1 1 1 3   57  27 o 14.285  6.4562  -79.3375   213.193  284.166    472.903  -172.0587  238.840  25.391  10.516  13.969  6.5011  11.42160       12.36365  
1 1 1 3   57  28 o 20.980  8.4491  196.468    294.948  0.0000     0.0000   196.468    294.948  ?       ?       20.980  8.4491  0.000000       8.449145  
1 1 1 3   57  29 o 25.647  9.2340  429.526    327.520  0.0000     0.0000   429.526    327.520  ?       ?       25.647  9.2340  0.000000       9.234021  
1 1 1 3   57  30 o 21.969  8.9409  257.838    334.165  0.0000     0.0000   257.838    334.165  ?       ?       21.969  8.9409  0.000000       8.940871  
1 1 1 3   57  31 o 20.154  8.8527  115.326    372.266  0.0000     0.0000   115.326    372.266  ?       ?       20.154  8.8527  0.000000       8.852662  
1 1 1 3   58  0  o 379.308 7.4884  78175.70   3076.46  78442.83   5331.85  78042.38   3766.73  378.689 12.999  378.667 9.1841  0.2230835E-01  15.91644  
1 1 1 3   58  1  o 326.517 6.5726  57885.86   2324.40  57661.59   4028.82  57997.75   2845.79  325.033 11.444  326.622 8.0443  -1.589294      13.98845  
1 1 1 3   58  2  o 299.251 5.2609  48578.08   1705.17  49376.18   2412.55  47781.41   2410.39  301.454 7.3890  296.531 7.5049  4.923706       10.53191  
1 1 1 3   58  3  o 100.365 2.8402  5457.88    308.748  5755.32    433.116  5150.57    440.242  103.042 3.8808  97.471  4.1701  5.570908       5.696518  
1 1 1 3   58  4  o 286.205 5.0760  44432.26   1573.50  45661.23   2226.59  43206.23   2223.93  289.912 7.0909  281.987 7.2815  7.925507       10.16376  
1 1 1 3   58  5  o 371.518 6.3626  74944.39   2560.25  77679.56   3622.09  72213.28   3619.40  377.775 8.8523  364.172 9.1761  13.60291       12.75009  
1 1 1 3   58  6  o 189.286 3.7297  19421.39   764.645  19743.02   1083.70  19102.51   1079.05  190.760 5.2451  187.636 5.3095  3.124115       7.463393  
1 1 1 3   58  7  o 149.867 3.7575  12175.52   609.926  12859.82   1071.30  11847.33   741.908  153.874 6.4280  147.795 4.6347  6.078339       7.924586  
1 1 1 3   58  8  o 115.721 3.4095  7258.49    427.346  7358.37    757.978  7211.95    517.423  116.250 6.0408  115.325 4.1424  0.9243927      7.324644  
1 1 1 3   58  9  o 167.614 4.9246  15244.84   894.028  15493.75   1271.93  15001.78   1256.90  168.810 6.9565  166.106 6.9863  2.704529       9.859081  
1 1 1 3   58  10 o 186.012 4.3225  18768.36   870.847  18679.65   1069.83  18942.57   1499.23  185.493 5.3250  186.578 7.4189  -1.084503      9.132087  
1 1 1 3   58  11 o 112.079 3.0302  6808.90    367.840  6890.64    531.140  6733.57    509.918  112.695 4.3514  111.410 4.2258  1.285934       6.065668  
1 1 1 3   58  12 o 248.039 4.5721  33395.73   1228.29  32203.96   1740.61  34577.84   1733.54  243.265 6.6062  252.118 6.3483  -8.853409      9.162058  
1 1 1 3   58  13 o 330.363 5.7697  59364.04   2064.51  59059.22   2922.40  59667.71   2916.93  328.780 8.2066  330.490 8.1489  -1.709778      11.56514  
1 1 1 3   58  14 o 121.671 3.5109  8032.92    462.668  8037.83    805.618  8030.50    565.165  121.307 6.1517  121.593 4.2914  -0.2862244     7.500626  
1 1 1 3   58  15 o 20.376  6.2594  226.509    151.465  180.409    292.612  243.382    177.027  22.266  8.5828  21.323  6.7990  0.9429493      10.94944  
1 1 1 3   58  16 o 34.895  4.1146  671.271    152.522  227.033    315.679  806.553    174.204  23.715  8.9692  38.270  4.2758  -14.55529      9.936224  
1 1 1 3   58  17 o 92.494  2.8695  4644.82    287.467  4023.51    579.037  4848.04    331.160  85.448  6.3010  94.463  3.2367  -9.014877      7.083732  
1 1 1 3   58  18 o 173.843 3.6331  16446.26   684.076  15176.24   1385.79  16855.44   786.595  165.587 7.7268  175.868 4.1295  -10.28076      8.761043  
1 1 1 3   58  19 o 138.771 3.3525  10479.00   503.900  9832.52    1012.37  10691.91   580.981  133.167 7.0441  140.072 3.8295  -6.905624      8.017707  
1 1 1 3   58  20 o 94.807  3.1098  4891.85    319.337  4472.39    665.242  5017.45    364.019  89.537  6.9133  95.953  3.5026  -6.416115      7.749979  
1 1 1 3   58  21 o 115.773 3.0752  7299.23    385.609  7511.91    800.996  7235.06    439.945  116.220 6.3878  115.163 3.5271  1.057640       7.296832  
1 1 1 3   58  22 o 35.982  5.0670  726.976    192.007  754.105    513.966  722.576    206.994  35.772  11.604  35.756  5.5228  0.1536942E-01  12.85106  
1 1 1 3   58  23 o 42.014  4.3095  980.365    193.332  449.080    451.254  1099.81    213.964  29.440  10.803  44.475  4.5038  -15.03482      11.70386  
1 1 1 3   58  24 o 102.336 2.9628  5720.35    328.397  5373.80    718.333  5811.92    369.242  97.178  6.8690  103.043 3.3084  -5.864304      7.624215  
1 1 1 3   58  25 o 16.080  6.5949  61.481     183.586  23.962     411.418  70.809     205.142  21.801  9.4447  16.993  6.9706  4.808205       11.73847  
1 1 1 3   58  26 o 39.796  5.2509  906.581    220.805  1556.69    462.340  714.489    251.318  50.247  8.8169  34.568  6.9534  15.67973       11.22884  
1 1 1 3   58  27 o 43.349  1.4364  1022.00    67.440   707.943    478.850  1028.36    68.119   31.994  11.200  43.482  1.4464  -11.48845      11.29265  
1 1 1 3   58  28 o 46.836  7.5276  1367.29    368.926  0.0000     0.0000   1367.29    368.926  ?       ?       46.836  7.5276  0.000000       7.527550  
1 1 1 3   58  29 o 34.488  9.7471  846.631    380.240  0.0000     0.0000   846.631    380.240  ?       ?       34.488  9.7471  0.000000       9.747078  
1 1 1 3   58  30 o 16.377  7.7107  -209.5803  352.690  0.0000     0.0000   -209.5803  352.690  ?       ?       16.377  7.7107  0.000000       7.710747  
1 1 1 3   58  31 o 32.011  9.4971  757.593    353.008  0.0000     0.0000   757.593    353.008  ?       ?       32.011  9.4971  0.000000       9.497138  
1 1 1 3   59  0  o 107.867 4.1015  6307.67    479.187  6771.37    675.458  5837.84    679.910  111.713 5.5825  103.530 6.0902  8.182945       8.261642  
1 1 1 3   59  1  o 175.779 4.1145  16750.49   783.356  17114.47   1355.69  16568.04   959.808  177.499 7.0517  174.772 5.0704  2.727310       8.685375  
1 1 1 3   59  2  o 94.406  3.0358  4829.39    310.421  4781.14    494.199  4860.83    398.943  93.764  4.8832  94.696  3.8896  -0.9316559     6.242957  
1 1 1 3   59  3  o 175.187 4.1049  16638.28   778.882  16877.08   1353.36  16520.01   952.422  176.253 7.0893  174.516 5.0388  1.737289       8.697577  
1 1 1 3   59  4  o 125.176 3.0308  8490.64    410.910  8011.10    582.482  8965.71    579.757  121.549 4.4245  128.596 4.1624  -7.047478      6.074683  
1 1 1 3   59  5  o 180.485 3.6331  17656.60   710.216  17412.75   1004.43  17900.41   1004.37  179.153 5.1764  181.649 5.1049  -2.495819      7.270130  
1 1 1 3   59  6  o 200.610 4.4656  21824.81   970.292  23013.16   1687.23  21237.62   1186.03  205.731 7.5719  197.819 5.5355  7.911682       9.379559  
1 1 1 3   59  7  o 330.100 6.6249  59202.73   2368.61  59463.11   4107.58  59073.02   2899.17  329.749 11.501  329.469 8.1244  0.2805786      14.08106  
1 1 1 3   59  8  o 202.434 5.5799  22247.61   1223.44  21458.11   1736.18  23026.34   1724.30  198.541 8.0737  205.712 7.7390  -7.170258      11.18375  
1 1 1 3   59  9  o 318.498 7.8652  55223.07   2713.24  57107.26   3841.50  53347.47   3832.72  323.089 10.978  312.168 11.336  10.92117       15.77993  
1 1 1 3   59  10 o 259.978 5.4500  36703.53   1534.64  36822.17   1881.68  36467.86   2652.05  260.219 6.6763  258.426 9.4749  1.793610       11.59085  
1 1 1 3   59  11 o 143.226 3.3477  11122.28   519.327  11465.31   720.512  10751.39   749.205  145.344 4.5769  140.722 4.9155  4.621521       6.716434  
1 1 1 3   59  12 f 98.528  2.9953  5263.00    319.645  5598.19    471.957  4978.96    434.460  101.560 4.2905  95.783  4.1878  5.776360       5.995548  
1 1 1 3   59  13 o 247.053 4.5005  33149.86   1204.26  34341.88   1707.50  31970.09   1698.70  251.110 6.2781  242.240 6.4744  8.869873       9.018424  
1 1 1 3   59  14 o 73.402  3.3788  2923.73    268.621  3601.62    473.966  2602.96    326.041  81.161  5.4230  69.074  4.3807  12.08718       6.971315  
1 1 1 3   59  15 o 124.350 3.0826  8391.25    415.180  8850.12    819.971  8233.04    481.459  127.349 5.9448  123.125 3.6103  4.223572       6.955172  
1 1 1 3   59  16 o 65.081  2.9423  2299.13    207.402  2800.86    424.959  2142.25    237.624  71.411  5.5376  62.693  3.5136  8.718342       6.558240  
1 1 1 3   59  17 o 115.490 2.9932  7244.49    374.414  7429.62    805.079  7193.40    422.934  116.171 6.4233  115.033 3.3945  1.137878       7.265107  
1 1 1 3   59  18 o 72.510  3.2015  2858.64    251.432  2570.45    553.397  2933.60    282.245  67.722  7.6804  73.422  3.5492  -5.699432      8.460813  
1 1 1 3   59  19 o 123.910 3.1777  8352.56    426.469  7456.87    879.104  8628.23    487.701  115.859 7.0389  125.862 3.5776  -10.00251      7.895864  
1 1 1 3   59  20 o 83.621  2.7186  3801.70    246.228  4145.76    600.378  3732.12    269.978  86.312  6.4693  82.816  3.0099  3.496040       7.135181  
1 1 1 3   59  21 f 43.176  1.9913  1011.98    93.121   1151.40    444.249  1005.57    95.237   44.126  9.5708  43.036  2.0432  1.089680       9.786448  
1 1 1 3   59  22 f 51.243  1.7447  1425.22    96.832   913.572    530.531  1442.86    98.487   38.751  11.676  51.558  1.7636  -12.80680      11.80855  
1 1 1 3   59  23 o 82.292  3.1672  3699.07    282.293  3325.72    597.510  3806.35    320.293  76.326  7.3175  83.387  3.5463  -7.060989      8.131522  
1 1 1 3   59  24 o 35.759  5.2909  725.821    198.733  1029.63    442.339  648.987    222.448  40.834  10.066  33.445  6.3736  7.389572       11.91384  
1 1 1 3   59  25 o 24.527  6.9399  354.781    192.643  457.414    430.238  329.044    215.447  28.753  10.548  23.826  7.4896  4.926207       12.93686  
1 1 1 3   59  26 o 51.816  2.2717  1466.29    127.490  1176.23    484.835  1487.83    132.140  42.127  10.627  52.182  2.3380  -10.05544      10.88099  
1 1 1 3   59  27 o 40.983  5.8215  990.407    251.147  0.0000     0.0000   990.407    251.147  ?       ?       40.983  5.8215  0.000000       5.821492  
1 1 1 3   59  28 o 23.779  9.4604  303.732    365.130  0.0000     0.0000   303.732    365.130  ?       ?       23.779  9.4604  0.000000       9.460405  
1 1 1 3   59  29 o 33.766  9.9939  826.284    391.249  0.0000     0.0000   826.284    391.249  ?       ?       33.766  9.9939  0.000000       9.993917  
1 1 1 3   59  30 o 29.390  10.116  651.324    389.862  0.0000     0.0000   651.324    389.862  ?       ?       29.390  10.116  0.000000       10.11581  
1 1 1 3   60  0  o 88.969  3.2543  4289.54    313.595  4272.92    382.564  4323.57    547.508  88.782  3.9784  89.078  5.7048  -0.2961807     6.954994  
1 1 1 3   60  1  o 229.083 6.0437  28485.88   1499.56  29621.17   2121.94  27353.25   2119.45  233.352 8.3956  224.201 8.7280  9.151382       12.11050  
1 1 1 3   60  2  o 293.812 5.9241  46854.67   1885.22  51237.32   3270.74  44674.25   2307.00  306.640 9.8480  286.710 7.4291  19.93018       12.33587  
1 1 1 3   60  3  o 322.250 6.4570  56390.71   2253.68  58753.80   3908.79  55213.97   2758.31  328.086 11.000  318.640 7.9923  9.446472       13.59678  
1 1 1 3   60  4  o 61.724  3.4353  2071.30    228.752  2460.81    404.622  1888.32    277.324  67.104  5.6189  58.849  4.3823  8.254532       7.125715  
1 1 1 3   60  5  o 61.061  2.5733  2020.09    170.189  1803.38    218.529  2354.14    271.315  57.574  3.5213  65.787  3.8242  -8.213573      5.198469  
1 1 1 3   60  6  o 182.692 4.1968  18098.49   830.437  17560.92   1434.11  18369.68   1018.59  179.717 7.3676  183.998 5.1111  -4.281616      8.966842  
1 1 1 3   60  7  o 42.032  5.2336  973.559    233.098  1023.40    349.556  933.647    312.798  42.704  7.8466  40.820  7.3451  1.884754       10.74799  
1 1 1 3   60  8  o 116.979 4.2127  7421.56    533.756  7980.93    768.400  6899.99    741.984  121.225 5.8523  112.538 6.1102  8.686584       8.460710  
1 1 1 3   60  9  o 217.584 5.1024  25697.87   1202.46  26084.65   1358.05  24294.09   2587.20  219.150 5.7214  210.294 11.401  8.856735       12.75647  
1 1 1 3   60  10 o 85.410  2.9914  3954.09    276.724  4067.60    411.692  3860.54    373.748  86.470  4.4105  84.361  4.0904  2.109062       6.015284  
1 1 1 3   60  11 o 102.023 2.9686  5642.45    328.037  5869.56    476.252  5437.44    452.488  104.003 4.2279  100.104 4.1734  3.898941       5.940685  
1 1 1 3   60  12 o 231.800 4.5088  29176.20   1131.98  29499.78   1507.45  28757.81   1714.12  232.846 5.9773  229.722 6.8892  3.123749       9.120791  
1 1 1 3   60  13 f 122.498 3.1234  8138.97    414.405  8482.64    591.318  7807.27    580.934  124.965 4.3688  119.878 4.4742  5.086685       6.253400  
1 1 1 3   60  14 o 57.531  2.4389  1794.51    151.971  2056.76    398.769  1749.95    164.375  61.108  6.1067  56.806  2.6716  4.302624       6.665522  
1 1 1 3   60  15 o 230.065 4.3123  28791.60   1074.56  26520.01   2149.12  29548.80   1240.80  219.156 9.0539  232.915 4.9185  -13.75914      10.30365  
1 1 1 3   60  16 f 146.413 3.2434  11645.10   514.347  11125.44   1033.60  11816.14   592.981  142.392 6.7019  147.414 3.7139  -5.021332      7.662157  
1 1 1 3   60  17 o 86.300  2.9578  4045.62    276.472  3651.49    624.379  4141.74    308.349  81.085  7.1838  87.290  3.2614  -6.204979      7.889487  
1 1 1 3   60  18 o 199.284 3.8948  21638.34   840.681  21377.12   1699.55  21722.96   967.309  196.174 7.9987  199.479 4.4771  -3.304840      9.166480  
1 1 1 3   60  19 o 68.818  3.3503  2578.40    249.721  2843.19    540.213  2506.44    281.616  71.284  7.0909  67.685  3.8574  3.599533       8.072263  
1 1 1 3   60  20 o 102.313 3.1273  5699.37    346.556  5684.60    718.274  5703.85    395.655  101.052 6.5988  102.270 3.5719  -1.217270      7.503494  
1 1 1 3   60  21 o 81.258  3.2179  3599.78    283.209  3446.01    591.459  3645.53    322.596  78.233  7.0560  81.696  3.6458  -3.462837      7.942252  
1 1 1 3   60  22 o 92.573  3.1464  4676.38    315.481  3903.64    719.342  4860.41    351.042  82.474  8.1598  94.309  3.4367  -11.83422      8.854016  
1 1 1 3   60  23 o 66.504  3.4150  2426.49    245.155  2738.88    531.857  2342.21    276.253  69.197  7.2020  65.199  3.9304  3.997749       8.204631  
1 1 1 3   60  24 o 39.784  5.0366  892.106    212.168  1001.89    451.954  861.074    240.292  40.138  10.334  38.797  5.9046  1.340870       11.90213  
1 1 1 3   60  25 o 19.311  2.8240  208.191    57.323   383.068    439.823  205.169    57.816   27.455  10.538  19.158  2.8751  8.297068       10.92326  
1 1 1 3   60  26 o 27.686  6.7235  464.403    199.605  319.829    443.714  501.082    223.496  25.788  10.371  28.599  7.2155  -2.810865      12.63414  
1 1 1 3   60  27 o 27.996  8.3150  502.724    270.485  0.0000     0.0000   502.724    270.485  ?       ?       27.996  8.3150  0.000000       8.314955  
1 1 1 3   60  28 o 16.973  7.7843  -118.2890  324.647  0.0000     0.0000   -118.2890  324.647  ?       ?       16.973  7.7843  0.000000       7.784337  
1 1 1 3   60  29 o 32.928  10.056  793.432    391.558  0.0000     0.0000   793.432    391.558  ?       ?       32.928  10.056  0.000000       10.05554  
1 1 1 3   60  30 o 20.795  8.8501  175.914    349.325  0.0000     0.0000   175.914    349.325  ?       ?       20.795  8.8501  0.000000       8.850136  
1 1 1 3   61  0  o 268.037 5.5797  38986.63   1619.85  39293.09   1983.44  38372.84   2806.97  268.955 6.8088  265.362 9.7663  3.592957       11.90547  
1 1 1 3   61  1  o 76.538  3.3139  3174.72    274.714  3409.04    325.576  2595.52    511.868  79.303  3.7905  68.770  6.9683  10.53297       7.932500  
1 1 1 3   61  2  o 631.641 14.778  219221.70  10110.12 236050.20  14301.01 202407.91  14294.74 651.311 20.273  601.743 21.933  49.56830       29.86679  
1 1 1 3   61  3  o 460.652 11.040  115875.00  5508.26  114900.50  7790.83  116848.90  7788.89  456.764 15.748  460.687 15.610  -3.923309      22.17348  
1 1 1 3   61  4  o 237.561 6.1866  30645.16   1591.84  32220.15   2255.10  29080.99   2247.33  243.290 8.5580  231.075 8.9794  12.21529       12.40434  
1 1 1 3   61  5  o 158.331 4.7514  13598.57   814.812  14181.59   1157.69  13026.25   1147.02  161.564 6.6157  154.826 6.8400  6.738068       9.515978  
1 1 1 3   61  6  o 110.121 4.1456  6575.94    494.458  6310.11    705.950  6831.94    692.776  107.619 6.0813  112.030 5.7285  -4.411293      8.354534  
1 1 1 3   61  7  o 123.304 4.2918  8246.01    573.180  7630.98    815.237  8847.24    806.038  118.338 6.3841  127.639 5.8304  -9.300781      8.645845  
1 1 1 3   61  8  o 182.218 4.2159  18008.98   832.057  18285.05   1021.60  17465.00   1434.05  183.541 5.1390  179.160 7.3901  4.380936       9.001312  
1 1 1 3   61  9  o 220.416 4.2897  26356.83   1024.09  27591.94   1367.74  24780.91   1544.96  225.381 5.6030  213.456 6.6825  11.92473       8.720596  
1 1 1 3   61  10 o 168.498 3.5222  15395.95   642.815  15485.50   913.383  15308.07   904.831  168.875 4.9936  167.906 4.9754  0.9686890      7.049214  
1 1 1 3   61  11 f 174.951 3.5950  16602.01   681.226  16422.13   969.824  16777.20   957.099  173.856 5.1503  175.738 5.0283  -1.882843      7.197876  
1 1 1 3   61  12 f 179.746 3.6294  17530.07   706.588  18398.06   1006.15  16685.43   992.521  183.979 5.0492  175.183 5.2309  8.795776       7.270290  
1 1 1 3   61  13 o 210.021 4.0204  23955.08   914.531  24153.99   1298.11  23759.06   1288.62  210.592 5.6912  208.862 5.6964  1.729843       8.052186  
1 1 1 3   61  14 o 199.546 3.8904  21633.17   840.826  21630.84   1197.01  21635.45   1181.35  199.206 5.5479  199.245 5.4742  -0.3822327E-01 7.793968  
1 1 1 3   61  15 o 101.508 2.9201  5592.52    321.051  5381.46    646.035  5661.73    369.969  99.034  6.0519  102.099 3.3456  -3.065552      6.915106  
1 1 1 3   61  16 o 74.880  2.5393  3042.65    205.945  2538.29    474.167  3159.91    228.636  67.704  6.5480  76.295  2.7668  -8.591141      7.108538  
1 1 1 3   61  17 o 55.801  3.6368  1701.54    218.596  1813.19    570.818  1682.35    236.635  56.165  9.7363  55.436  3.9673  0.7286186      10.51356  
1 1 1 3   61  18 o 73.648  3.1191  2949.49    248.803  2441.18    561.044  3073.93    277.591  65.797  8.0399  75.155  3.4102  -9.358261      8.733232  
1 1 1 3   61  19 o 150.767 3.5182  12386.39   574.515  12109.66   1136.29  12481.43   665.900  147.676 7.1041  151.188 4.0665  -3.511292      8.185618  
1 1 1 3   61  20 f 99.092  3.0576  5346.11    328.168  4785.69    698.403  5504.90    371.765  92.462  7.0264  100.486 3.4158  -8.024643      7.812710  
1 1 1 3   61  21 o 125.064 3.1831  8528.49    431.174  8072.42    885.007  8670.44    493.734  120.031 6.8357  125.975 3.6186  -5.944542      7.734436  
1 1 1 3   61  22 o 111.090 3.1707  6736.75    381.506  6911.83    832.809  6690.25    429.187  110.651 6.9848  110.584 3.5833  0.6719208E-01  7.850291  
1 1 1 3   61  23 o 106.947 3.1172  6250.41    361.077  6602.88    746.929  6142.92    412.475  108.197 6.4022  105.866 3.5973  2.331200       7.343640  
1 1 1 3   61  24 o 43.928  2.2335  1053.25    105.915  906.872    463.151  1061.32    108.798  37.983  10.765  44.088  2.2863  -6.104675      11.00539  
1 1 1 3   61  25 o 27.697  6.8723  458.738    205.178  843.412    443.046  353.712    231.500  36.143  10.617  24.526  7.7702  11.61701       13.15691  
1 1 1 3   61  26 o 11.545  5.5196  -237.4617  194.701  -722.2719  420.858  -105.4451  219.616  15.085  7.4137  14.155  6.4581  0.9296951      9.832098  
1 1 1 3   61  27 o 20.949  8.2070  211.932    270.922  0.0000     0.0000   211.932    270.922  ?       ?       20.949  8.2070  0.000000       8.206994  
1 1 1 3   61  28 o 37.766  9.4512  978.596    385.667  0.0000     0.0000   978.596    385.667  ?       ?       37.766  9.4512  0.000000       9.451192  
1 1 1 3   61  29 o 63.017  6.5834  2442.69    442.706  0.0000     0.0000   2442.69    442.706  ?       ?       63.017  6.5834  0.000000       6.583374  
1 1 1 3   61  30 o 25.786  9.8846  461.423    386.653  0.0000     0.0000   461.423    386.653  ?       ?       25.786  9.8846  0.000000       9.884649  
1 1 1 3   62  0  o 102.414 2.9037  5683.40    322.089  5681.04    449.779  5685.89    461.450  102.364 4.0568  102.405 4.1604  -0.4066467E-01 5.810869  
1 1 1 3   62  1  o 363.685 7.2192  71887.58   2843.69  71860.85   3482.68  71941.05   4925.75  363.290 8.8510  362.509 12.545  0.7810669      15.35337  
1 1 1 3   62  2  o 306.238 6.1990  50924.92   2056.12  50243.55   2516.85  52292.12   3565.20  303.970 7.6446  309.513 10.635  -5.543610      13.09742  
1 1 1 3   62  3  o 102.215 4.0943  5664.89    453.277  6029.44    645.980  5311.30    636.192  105.241 5.6883  98.726  5.9777  6.514328       8.251658  
1 1 1 3   62  4  f 95.907  4.0638  4987.39    422.138  4892.96    602.928  5078.19    591.229  94.748  5.9046  96.554  5.6785  -1.805794      8.192052  
1 1 1 3   62  5  o 231.074 6.1138  29000.50   1530.15  28228.01   2167.31  29768.25   2160.63  227.623 8.7909  233.791 8.5326  -6.168091      12.25097  
1 1 1 3   62  6  o 284.282 5.8590  43887.39   1804.02  44056.71   2210.48  43549.71   3121.77  284.634 7.1702  282.393 10.207  2.240906       12.47335  
1 1 1 3   62  7  o 135.643 3.6160  9975.09    531.251  10216.69   652.646  9500.65    914.574  137.239 4.3907  132.222 6.3862  5.017502       7.749966  
1 1 1 3   62  8  o 166.226 3.9928  14985.97   718.862  15240.23   883.458  14487.78   1236.65  167.569 4.8677  163.188 6.9966  4.381393       8.523313  
1 1 1 3   62  9  o 264.955 4.7795  38106.79   1371.58  38732.16   1943.67  37486.48   1935.77  266.815 6.7258  262.474 6.8092  4.340759       9.570889  
1 1 1 3   62  10 o 129.371 3.0944  9073.97    433.593  9440.51    624.336  8732.48    602.627  131.885 4.3707  126.842 4.3865  5.043060       6.192258  
1 1 1 3   62  11 f 65.977  3.1562  2360.53    225.545  2647.55    345.748  2147.90    297.581  69.669  4.6079  62.743  4.4069  6.926914       6.376059  
1 1 1 3   62  12 o 120.777 3.0683  7911.63    401.378  7847.55    577.890  7971.37    557.907  120.188 4.4393  121.148 4.2518  -0.9602814     6.146973  
1 1 1 3   62  13 o 145.811 3.2902  11537.82   519.622  11911.79   742.848  11179.52   727.119  148.004 4.6340  143.376 4.6823  4.627563       6.587701  
1 1 1 3   62  14 o 187.983 3.7554  19200.36   764.629  19102.14   1089.74  19295.60   1073.15  187.179 5.3752  188.150 5.2661  -0.9708862     7.524906  
1 1 1 3   62  15 o 35.167  4.1637  682.311    155.513  575.843    318.842  715.545    178.139  31.795  8.9044  35.939  4.6880  -4.144096      10.06305  
1 1 1 3   62  16 o 20.787  5.9875  242.067    142.141  -131.0486  286.003  364.457    163.803  16.775  7.5391  25.288  6.0597  -8.513594      9.672504  
1 1 1 3   62  17 o 104.493 3.0661  5934.42    347.017  5678.71    734.686  6007.85    393.703  101.313 6.7336  105.086 3.4590  -3.773453      7.570077  
1 1 1 3   62  18 o 70.442  3.2415  2699.83    247.315  2303.77    546.638  2801.77    277.321  63.834  8.0877  71.724  3.5698  -7.889175      8.840520  
1 1 1 3   62  19 o 31.613  5.5014  564.865    181.524  251.278    439.107  629.501    199.356  26.401  10.415  33.365  5.7226  -6.963552      11.88392  
1 1 1 3   62  20 o 55.301  2.2781  1661.34    136.449  1945.83    493.849  1637.82    141.976  58.348  8.0269  54.900  2.3876  3.448193       8.374518  
1 1 1 3   62  21 o 59.361  2.3500  1915.71    151.093  2261.68    509.239  1882.31    158.217  62.941  7.6255  58.827  2.4832  4.113834       8.019648  
1 1 1 3   62  22 o 80.851  2.6710  3560.85    233.895  3482.42    657.454  3572.22    250.268  77.872  7.9045  80.946  2.8546  -3.073639      8.404123  
1 1 1 3   62  23 o 32.291  5.6850  597.666    191.570  755.548    440.977  560.939    212.687  35.109  10.660  31.022  6.5363  4.087217       12.50441  
1 1 1 3   62  24 o 61.362  3.5554  2075.00    235.282  2694.59    518.969  1914.70    263.968  68.293  7.1209  58.742  4.1761  9.550884       8.255096  
1 1 1 3   62  25 o 62.860  3.7228  2191.80    252.335  2135.88    529.055  2208.27    287.094  59.259  8.4850  62.877  4.2404  -3.617393      9.485599  
1 1 1 3   62  26 o 65.111  2.8176  2332.46    198.704  2272.51    552.794  2341.36    212.936  59.977  8.7686  65.160  3.0171  -5.182976      9.273127  
1 1 1 3   62  27 o 18.640  8.0812  45.692     301.654  0.0000     0.0000   45.692     301.654  ?       ?       18.640  8.0812  0.000000       8.081246  
1 1 1 3   62  28 f 27.587  9.8459  518.725    371.589  0.0000     0.0000   518.725    371.589  ?       ?       27.587  9.8459  0.000000       9.845863  
1 1 1 3   62  29 o 34.432  9.9892  871.485    394.355  0.0000     0.0000   871.485    394.355  ?       ?       34.432  9.9892  0.000000       9.989184  
1 1 1 3   62  30 o 18.526  8.2861  18.390     341.079  0.0000     0.0000   18.390     341.079  ?       ?       18.526  8.2861  0.000000       8.286083  
1 1 1 3   63  0  o 139.200 3.1535  10501.07   475.456  10055.24   675.915  10937.74   668.933  136.159 4.5833  142.019 4.3488  -5.860107      6.318076  
1 1 1 3   63  1  o 191.159 3.7409  19809.51   774.536  20038.63   1093.84  19579.12   1096.88  192.166 5.2554  189.945 5.3317  2.221603       7.486392  
1 1 1 3   63  2  o 157.550 3.8724  13457.38   660.798  13071.41   808.416  14234.47   1147.07  155.227 4.8084  161.868 6.5428  -6.640610      8.119600  
1 1 1 3   63  3  o 215.342 4.7025  25155.51   1096.81  24724.40   1343.33  26017.67   1899.70  213.394 5.8120  218.650 8.0217  -5.255356      9.905931  
1 1 1 3   63  4  o 224.456 4.8845  27334.59   1187.46  27045.63   1453.29  27915.02   2059.72  223.160 6.0126  226.415 8.3991  -3.255035      10.32941  
1 1 1 3   63  5  o 132.628 3.6271  9536.17    521.031  9694.11    636.768  9216.20    906.344  133.689 4.3976  130.237 6.4252  3.451920       7.786037  
1 1 1 3   63  6  o 88.181  3.2946  4214.96    314.668  3816.47    379.483  5091.96    562.966  83.886  4.1767  96.698  5.3967  -12.81152      6.824193  
1 1 1 3   63  7  o 225.485 4.9042  27595.53   1197.71  26711.31   1467.71  29358.07   2072.19  221.707 6.1121  232.106 8.2428  -10.39856      10.26164  
1 1 1 3   63  8  o 212.932 4.0364  24594.02   930.903  25834.65   1320.51  23368.36   1312.52  218.073 5.5907  207.373 5.8436  10.70007       8.087296  
1 1 1 3   63  9  f 215.479 4.0932  25191.78   955.292  25244.79   1354.91  25139.37   1347.10  215.502 5.8048  215.055 5.7834  0.4474640      8.194097  
1 1 1 3   63  10 f 198.953 3.8558  21476.39   830.872  22206.08   1181.22  20761.79   1168.94  202.121 5.3957  195.421 5.5227  6.700668       7.720995  
1 1 1 3   63  11 o 172.390 3.5554  16124.29   663.850  16064.77   945.925  16182.06   931.884  171.904 5.0804  172.542 4.9865  -0.6384583     7.118715  
1 1 1 3   63  12 o 59.161  3.2911  1904.93    210.053  1896.22    322.249  1911.35    276.982  58.818  5.1091  59.151  4.3540  -0.3323708     6.712677  
1 1 1 3   63  13 o 64.715  3.1318  2272.78    219.520  2154.50    331.019  2365.63    293.290  62.725  4.9116  65.845  4.1334  -3.120106      6.419430  
1 1 1 3   63  14 o 118.676 3.0706  7645.60    394.689  7382.92    572.270  7883.91    545.072  116.454 4.5371  120.388 4.1802  -3.933975      6.169231  
1 1 1 3   63  15 o 28.330  0.8605  434.739    26.403   -143.0740  284.361  439.764    26.517   16.576  7.4771  28.493  0.8592  -11.91718      7.526331  
1 1 1 3   63  16 o 40.643  3.9238  907.658    170.579  964.996    412.465  895.828    187.351  40.782  9.5123  40.305  4.3612  0.4772682      10.46441  
1 1 1 3   63  17 o 68.859  2.4193  2573.85    180.432  2409.16    517.001  2596.69    192.538  65.588  7.4075  69.153  2.5706  -3.565010      7.840876  
1 1 1 3   63  18 o 79.374  3.1512  3427.99    270.905  3493.94    589.779  3410.35    304.982  79.134  6.9515  79.118  3.5590  0.1657104E-01  7.809614  
1 1 1 3   63  19 f 31.639  5.5064  566.136    181.840  612.385    439.052  556.560    199.781  32.929  10.727  31.229  6.1252  1.699459       12.35265  
1 1 1 3   63  20 o 18.646  6.6895  166.343    171.741  226.148    424.376  154.630    187.807  25.562  10.190  18.721  6.9511  6.840017       12.33497  
1 1 1 3   63  21 o 62.276  3.5099  2126.09    235.785  2782.87    526.403  1961.25    263.719  70.097  7.0281  59.670  4.1055  10.42654       8.139365  
1 1 1 3   63  22 o 18.177  6.7344  149.503    176.091  259.233    524.428  135.560    186.945  27.506  11.198  18.092  6.8878  9.413931       13.14686  
1 1 1 3   63  23 o 53.289  3.6857  1565.35    211.423  1948.53    488.472  1477.02    234.529  57.755  8.0257  51.612  4.2327  6.142899       9.073466  
1 1 1 3   63  24 o 22.343  7.0497  286.134    190.710  282.038    431.041  287.131    212.656  25.797  10.274  22.590  7.4707  3.206900       12.70305  
1 1 1 3   63  25 o 24.712  2.2525  336.166    59.629   434.036    449.692  334.414    60.160   27.868  10.665  24.643  2.2798  3.225790       10.90636  
1 1 1 3   63  26 o 13.750  6.4036  -168.5971  232.389  0.0000     0.0000   -168.5971  232.389  ?       ?       13.750  6.4036  0.000000       6.403626  
1 1 1 3   63  27 o 21.653  8.5999  227.978    301.253  0.0000     0.0000   227.978    301.253  ?       ?       21.653  8.5999  0.000000       8.599901  
1 1 1 3   63  28 o 29.909  9.5097  624.359    346.516  0.0000     0.0000   624.359    346.516  ?       ?       29.909  9.5097  0.000000       9.509743  
1 1 1 3   63  29 o 19.894  8.7772  76.299     369.734  0.0000     0.0000   76.299     369.734  ?       ?       19.894  8.7772  0.000000       8.777187  
1 1 1 3   64  0  o 333.764 8.2153  60639.29   2969.83  61585.14   4201.26  59694.59   4198.70  335.515 11.561  330.273 11.737  5.241333       16.47495  
1 1 1 3   64  1  o 320.786 5.5921  55861.66   1942.95  55670.99   2749.07  56051.97   2746.43  319.850 7.9354  320.950 7.9006  -1.099304      11.19780  
1 1 1 3   64  2  o 239.857 4.3849  31202.72   1139.16  31210.99   1611.72  31194.47   1610.31  239.709 6.2078  239.646 6.2039  0.6298828E-01  8.776399  
1 1 1 3   64  3  f 210.357 4.0198  23994.41   915.866  23760.98   1296.16  24227.18   1294.30  209.195 5.7205  211.243 5.6570  -2.048279      8.045233  
1 1 1 3   64  4  f 368.820 6.3428  73907.95   2533.77  74811.94   3584.24  73004.91   3582.34  370.474 8.9324  365.944 9.0382  4.529785       12.70738  
1 1 1 3   64  5  o 178.397 3.6120  17254.47   697.920  17521.70   989.470  16989.88   984.565  179.675 5.0845  176.923 5.1380  2.751907       7.228450  
1 1 1 3   64  6  o 239.858 4.4364  31213.10   1152.55  30848.33   1631.19  31576.75   1628.71  238.230 6.3217  241.038 6.2386  -2.807785      8.881703  
1 1 1 3   64  7  o 223.223 4.1970  27031.58   1014.72  27395.20   1436.38  26669.32   1433.69  224.528 5.9065  221.524 5.9754  3.003494       8.401869  
1 1 1 3   64  8  o 263.984 4.7608  37832.30   1361.22  39097.69   1927.15  36572.37   1922.98  268.051 6.6378  259.210 6.8494  8.841248       9.538083  
1 1 1 3   64  9  o 284.128 5.0535  43855.42   1555.16  44811.00   2203.06  42906.30   2195.60  286.775 7.0928  280.582 7.2248  6.193115       10.12446  
1 1 1 3   64  10 o 97.349  2.9653  5138.52    312.658  5313.65    452.825  4978.96    432.224  98.931  4.2260  95.768  4.1669  3.163033       5.934834  
1 1 1 3   64  11 f 103.820 2.9929  5845.81    336.544  6194.31    484.864  5521.82    467.502  106.794 4.1918  100.824 4.2811  5.969872       5.991565  
1 1 1 3   64  12 o 56.065  3.2994  1711.74    199.472  1539.13    300.206  1848.19    266.911  52.905  5.3107  58.162  4.2668  -5.256218      6.812407  
1 1 1 3   64  13 o 97.409  2.9406  5148.87    310.242  5101.86    453.633  5190.17    425.239  96.849  4.3245  97.713  4.0180  -0.8637238     5.903034  
1 1 1 3   64  14 o 96.625  2.9679  5068.57    310.610  4857.10    456.619  5250.69    423.757  94.442  4.4640  98.249  3.9822  -3.807434      5.982017  
1 1 1 3   64  15 o 59.881  3.5544  1956.60    229.493  1968.12    404.299  1951.13    278.754  59.569  6.3649  59.686  4.3417  -0.1174202     7.704686  
1 1 1 3   64  16 o 78.244  3.0357  3326.73    257.264  2930.12    556.221  3434.67    290.167  72.537  7.1738  79.472  3.3710  -6.935036      7.926386  
1 1 1 3   64  17 o 99.549  3.0419  5387.98    327.980  4786.37    678.820  5571.19    374.607  92.869  6.7958  101.175 3.4185  -8.306725      7.607157  
1 1 1 3   64  18 o 22.476  1.5643  275.227    37.843   371.301    429.091  274.474    37.991   28.287  10.506  22.444  1.5728  5.842377       10.62312  
1 1 1 3   64  19 o 20.398  6.8448  218.667    178.376  508.855    515.476  179.192    190.122  31.736  11.561  19.482  7.0326  12.25367       13.53172  
1 1 1 3   64  20 o 73.016  3.1796  2906.46    251.456  2158.72    563.958  3092.00    280.927  61.078  8.7771  75.267  3.4460  -14.18893      9.429351  
1 1 1 3   64  21 o 79.593  3.1681  3457.28    273.114  2981.29    600.479  3581.43    306.670  72.161  7.8073  80.942  3.4981  -8.780281      8.555186  
1 1 1 3   64  22 o 40.036  4.7903  897.683    203.599  533.423    558.166  953.587    218.665  31.888  11.955  41.221  4.9999  -9.333054      12.95847  
1 1 1 3   64  23 o 64.063  3.3928  2254.79    234.578  2353.07    533.500  2231.23    261.180  63.514  7.9278  63.609  3.8085  -0.9454346E-01 8.795178  
1 1 1 3   64  24 o 75.101  2.6887  3083.17    218.701  3460.40    580.449  3020.75    236.101  77.246  7.0142  74.271  2.9350  2.975456       7.603484  
1 1 1 3   64  25 o 44.020  5.2323  1113.37    244.584  910.007    481.882  1183.94    283.866  36.453  11.159  45.039  5.9660  -8.585102      12.65388  
1 1 1 3   64  26 o 33.196  7.6566  691.086    269.675  0.0000     0.0000   691.086    269.675  ?       ?       33.196  7.6566  0.000000       7.656646  
1 1 1 3   64  27 o 24.260  8.9716  353.478    312.233  0.0000     0.0000   353.478    312.233  ?       ?       24.260  8.9716  0.000000       8.971584  
1 1 1 3   64  28 f 26.270  10.057  454.138    399.948  0.0000     0.0000   454.138    399.948  ?       ?       26.270  10.057  0.000000       10.05721  
1 1 1 3   64  29 o 30.116  10.104  671.320    388.657  0.0000     0.0000   671.320    388.657  ?       ?       30.116  10.104  0.000000       10.10363  
1 1 1 3   65  0  o 124.696 4.2205  8432.55    570.012  8291.13    809.518  8571.62    802.762  123.554 6.0492  125.635 5.8994  -2.081451      8.449589  
1 1 1 3   65  1  o 117.632 4.1630  7504.06    530.399  7983.63    747.707  7018.32    752.510  121.260 5.6930  113.504 6.1440  7.755737       8.376108  
1 1 1 3   65  2  o 120.979 2.9706  7931.80    389.250  7815.23    552.530  8046.67    548.457  120.042 4.2497  121.810 4.1571  -1.768326      5.944835  
1 1 1 3   65  3  o 166.075 3.4686  14951.64   623.920  14960.73   885.574  14942.67   879.174  166.041 4.9243  165.943 4.8916  0.9800720E-01  6.940857  
1 1 1 3   65  4  o 197.779 4.0351  21214.14   864.373  20731.29   1300.22  21596.53   1157.08  195.331 6.1458  199.445 5.3563  -4.114120      8.152369  
1 1 1 3   65  5  o 84.972  2.6544  3912.71    244.296  3537.97    323.845  4407.56    372.143  80.776  3.7016  90.154  3.8111  -9.378471      5.312854  
1 1 1 3   65  6  o 128.277 3.0926  8919.68    429.675  8990.82    610.492  8849.86    604.852  128.727 4.3787  127.714 4.3726  1.012733       6.188087  
1 1 1 3   65  7  o 84.536  2.7941  3873.35    255.827  4000.66    375.694  3763.29    349.330  85.875  4.0392  83.294  3.8721  2.580635       5.595438  
1 1 1 3   65  8  o 90.513  2.8684  4441.10    281.202  4122.93    406.111  4734.17    389.753  87.157  4.3020  93.415  3.8521  -6.257896      5.774615  
1 1 1 3   65  9  o 210.456 4.2312  24044.01   964.478  23932.42   1288.88  24186.02   1453.94  209.766 5.6729  210.756 6.3694  -0.9900818     8.529429  
1 1 1 3   65  10 o 147.968 3.2905  11877.11   527.348  11851.50   757.846  11901.15   734.279  147.674 4.7381  148.000 4.5807  -0.3259583     6.590333  
1 1 1 3   65  11 o 59.426  3.2413  1921.78    207.837  2065.75    324.259  1821.39    270.771  61.432  4.9145  57.731  4.3626  3.701454       6.571469  
1 1 1 3   65  12 o 78.712  2.9983  3361.72    255.613  3185.59    370.135  3522.31    353.426  76.400  4.4928  80.402  4.0717  -4.002586      6.063313  
1 1 1 3   65  13 o 92.743  2.9599  4668.47    297.322  4437.13    436.174  4869.26    406.361  90.288  4.4602  94.633  3.9646  -4.344658      5.967556  
1 1 1 3   65  14 o 77.165  2.6238  3231.33    219.296  3430.42    374.970  3127.84    270.351  79.242  4.3860  75.875  3.2897  3.366585       5.482620  
1 1 1 3   65  15 o 44.210  4.3678  1075.60    206.410  979.001    428.999  1104.70    235.456  41.055  9.7861  44.711  4.9449  -3.656128      10.96445  
1 1 1 3   65  16 o 129.824 3.1656  9162.99    445.128  8989.11    905.747  9218.36    511.108  127.608 6.5756  130.137 3.6261  -2.528687      7.509159  
1 1 1 3   65  17 o 108.299 3.0832  6379.10    361.653  6312.72    738.433  6400.05    414.807  106.793 6.4138  108.404 3.5329  -1.611343      7.322455  
1 1 1 3   65  18 o 96.587  3.1237  5077.46    326.786  4899.74    737.681  5120.86    364.503  93.572  7.3375  96.942  3.4715  -3.370071      8.117247  
1 1 1 3   65  19 o 81.695  2.7023  3630.07    239.113  4388.75    673.538  3520.67    255.773  88.452  7.0901  80.423  2.9363  8.028313       7.674069  
1 1 1 3   65  20 o 116.211 3.1137  7363.03    391.914  7732.49    823.687  7254.91    445.584  117.617 6.4909  115.233 3.5701  2.383408       7.407956  
1 1 1 3   65  21 o 85.821  3.1406  4020.25    291.930  3464.20    636.068  4168.63    328.581  77.857  7.6413  87.314  3.4745  -9.457176      8.394164  
1 1 1 3   65  22 o 37.760  4.5286  797.267    181.518  366.511    561.433  847.550    191.821  29.441  11.725  38.918  4.6423  -9.476992      12.61095  
1 1 1 3   65  23 o 30.000  2.5009  494.052    80.524   732.847    469.053  486.801    81.737   34.415  11.077  29.768  2.5600  4.646582       11.36905  
1 1 1 3   65  24 o 33.654  6.1799  663.904    216.957  533.561    463.487  700.479    245.516  30.026  10.959  34.321  6.8447  -4.294651      12.92052  
1 1 1 3   65  25 o 42.937  5.1332  1060.61    233.985  1209.12    484.899  1015.54    267.146  42.221  10.615  41.504  6.1270  0.7172241      12.25630  
1 1 1 3   65  26 o 24.983  9.1134  372.964    320.495  0.0000     0.0000   372.964    320.495  ?       ?       24.983  9.1134  0.000000       9.113434  
1 1 1 3   65  27 o 15.272  7.0325  -129.6138  268.619  0.0000     0.0000   -129.6138  268.619  ?       ?       15.272  7.0325  0.000000       7.032531  
1 1 1 3   65  28 o 35.649  8.8902  868.167    342.102  0.0000     0.0000   868.167    342.102  ?       ?       35.649  8.8902  0.000000       8.890213  
1 1 1 3   65  29 o 23.534  9.0978  342.414    329.520  0.0000     0.0000   342.414    329.520  ?       ?       23.534  9.0978  0.000000       9.097816  
1 1 1 3   66  0  o 75.163  4.0656  3072.78    329.748  3065.87    472.663  3079.34    460.253  74.902  5.8733  75.087  5.7019  -0.1847610     8.185775  
1 1 1 3   66  1  o 63.449  3.8912  2191.24    266.122  2274.65    381.699  2112.34    371.226  64.490  5.5177  62.122  5.5766  2.367455       7.845004  
1 1 1 3   66  2  o 137.943 4.4524  10322.83   665.219  9756.10    942.128  10886.29   939.400  133.971 6.4928  141.547 6.1275  -7.576004      8.927598  
1 1 1 3   66  3  o 166.399 3.9015  15015.73   703.156  16035.29   866.824  13053.91   1202.42  171.905 4.6556  154.893 7.1672  17.01158       8.546545  
1 1 1 3   66  4  o 173.561 3.5295  16332.58   663.492  16893.85   941.026  15777.72   935.635  176.419 4.9248  170.480 5.0671  5.938766       7.066062  
1 1 1 3   66  5  o 210.975 4.0090  24143.50   916.092  25350.48   1299.51  22951.13   1291.62  216.025 5.5540  205.518 5.8025  10.50606       8.032192  
1 1 1 3   66  6  o 136.249 3.1573  10064.09   465.927  9482.95    663.707  10628.76   654.236  132.175 4.6361  139.954 4.3160  -7.779205      6.334148  
1 1 1 3   66  7  o 196.469 3.8451  20940.44   818.230  20926.02   1159.93  20954.71   1154.40  196.228 5.4576  196.366 5.4277  -0.1382446     7.697105  
1 1 1 3   66  8  o 116.101 2.9823  7308.41    375.028  7157.53    532.252  7457.17    528.506  114.826 4.2796  117.212 4.1630  -2.386368      5.970427  
1 1 1 3   66  9  o 154.805 3.4120  13000.88   572.091  13979.05   787.395  11907.13   832.613  160.416 4.5318  147.980 5.1948  12.43628       6.893745  
1 1 1 3   66  10 o 205.221 3.9748  22870.47   883.508  22278.84   1254.66  23452.42   1244.34  202.252 5.7275  207.550 5.5354  -5.297379      7.965190  
1 1 1 3   66  11 o 80.986  2.9948  3558.27    262.687  3402.25    399.519  3677.08    348.647  78.949  4.6933  82.274  3.9125  -3.325195      6.110220  
1 1 1 3   66  12 o 84.280  2.9289  3854.54    267.365  3831.12    392.064  3874.89    365.548  83.812  4.3338  84.428  3.9975  -0.6164093     5.895927  
1 1 1 3   66  13 o 138.707 3.2150  10449.29   483.009  10301.04   692.758  10589.54   673.794  137.504 4.6515  139.449 4.4611  -1.945740      6.445012  
1 1 1 3   66  14 o 41.193  3.9991  932.184    176.177  606.175    274.567  1160.35    229.697  32.500  7.8813  45.894  4.6867  -13.39394      9.169493  
1 1 1 3   66  15 o 75.195  3.4480  3075.22    280.823  3664.10    540.673  2857.66    328.627  81.475  6.1727  72.290  4.2154  9.184784       7.474791  
1 1 1 3   66  16 o 90.466  2.8047  4446.41    274.811  4228.47    625.464  4498.55    305.921  87.329  6.6629  90.961  3.1051  -3.632431      7.350953  
1 1 1 3   66  17 o 108.195 3.0832  6368.15    361.303  5955.93    744.910  6494.95    413.154  103.576 6.6757  109.197 3.4933  -5.620941      7.534421  
1 1 1 3   66  18 o 51.291  4.0680  1446.15    224.140  1114.00    546.876  1513.21    245.727  43.079  11.504  52.416  4.3681  -9.337399      12.30531  
1 1 1 3   66  19 o 110.909 3.1149  6701.90    374.182  7368.68    840.192  6536.93    417.915  114.825 6.7859  109.443 3.5256  5.381958       7.647056  
1 1 1 3   66  20 o 29.277  2.0027  467.706    63.124   650.746    454.911  464.112    63.741   33.452  10.920  29.161  2.0308  4.291046       11.10737  
1 1 1 3   66  21 f 99.453  2.9837  5396.51    321.392  4939.58    717.812  5511.08    359.433  93.276  7.1598  100.418 3.3047  -7.142471      7.885643  
1 1 1 3   66  22 o 75.013  2.6587  3067.57    216.010  3026.20    587.518  3074.03    232.279  72.483  7.5966  75.054  2.8574  -2.571404      8.116213  
1 1 1 3   66  23 o 52.768  3.9155  1542.63    222.189  1448.61    511.640  1564.48    246.662  48.257  10.112  53.010  4.3340  -4.752968      11.00201  
1 1 1 3   66  24 o 44.472  4.8688  1122.10    230.687  537.192    495.501  1283.96    260.659  30.080  11.267  47.479  5.1514  -17.39901      12.38835  
1 1 1 3   66  25 o 26.484  7.3725  434.170    219.260  484.234    463.797  419.761    248.821  28.299  10.831  25.983  8.0295  2.315706       13.48283  
1 1 1 3   66  26 o 23.401  8.2671  326.259    261.335  0.0000     0.0000   326.259    261.335  ?       ?       23.401  8.2671  0.000000       8.267082  
1 1 1 3   66  27 o 21.180  8.8567  173.273    340.019  0.0000     0.0000   173.273    340.019  ?       ?       21.180  8.8567  0.000000       8.856693  
1 1 1 3   66  28 o 25.576  9.4687  434.179    347.984  0.0000     0.0000   434.179    347.984  ?       ?       25.576  9.4687  0.000000       9.468711  
1 1 1 3   67  0  o 45.119  2.0274  1102.88    99.075   1127.09    107.887  972.599    250.293  45.610  2.1839  41.941  5.6539  3.668980       6.060996  
1 1 1 3   67  1  o 314.769 7.8280  53963.65   2668.79  52863.87   3774.80  55062.77   3773.67  310.616 11.220  317.085 10.988  -6.469696      15.70442  
1 1 1 3   67  2  o 113.496 4.1160  6987.16    505.971  7320.22    711.015  6645.47    720.177  116.087 5.6549  110.420 6.0447  5.666763       8.277449  
1 1 1 3   67  3  o 212.767 5.7310  24595.19   1320.70  25020.54   1868.04  24170.11   1867.46  214.264 8.0494  210.568 8.1882  3.695999       11.48218  
1 1 1 3   67  4  o 284.116 7.1815  43947.72   2209.96  44870.34   3124.85  43024.50   3125.86  286.351 10.075  280.335 10.295  6.015625       14.40479  
1 1 1 3   67  5  o 97.727  2.9511  5177.09    312.372  5644.16    445.709  4726.20    437.916  101.998 4.0345  93.323  4.3324  8.674988       5.920057  
1 1 1 3   67  6  o 22.412  5.9198  282.931    145.841  228.690    227.994  320.495    189.736  21.908  7.7236  24.003  6.9188  -2.094942      10.36943  
1 1 1 3   67  7  f 141.257 3.2020  10820.36   489.888  10847.09   694.968  10793.97   690.664  141.336 4.5398  140.991 4.5228  0.3450317      6.408250  
1 1 1 3   67  8  o 63.460  2.9249  2183.67    201.041  2323.31    293.634  2060.44    275.831  65.283  4.1746  61.463  4.1680  3.819580       5.899153  
1 1 1 3   67  9  o 54.615  3.3222  1624.27    195.586  1434.54    295.441  1772.30    260.958  51.059  5.4255  56.962  4.2606  -5.903912      6.898430  
1 1 1 3   67  10 o 104.987 3.0013  5979.37    341.279  5781.51    496.910  6156.03    469.536  103.129 4.4486  106.450 4.0724  -3.320328      6.031172  
1 1 1 3   67  11 o 169.177 3.4900  15541.80   639.489  15518.16   913.865  15564.49   895.171  168.807 4.9983  169.079 4.8882  -0.2722473     6.991205  
1 1 1 3   67  12 o 73.695  2.9999  2948.07    239.452  2694.65    354.608  3160.48    324.646  70.184  4.6919  76.138  3.9504  -5.953819      6.133469  
1 1 1 3   67  13 o 159.163 3.5502  13770.63   612.025  13765.89   834.979  13776.14   899.710  158.877 4.8523  158.847 5.2294  0.3033447E-01  7.133801  
1 1 1 3   67  14 o 29.202  5.5054  481.471    167.739  242.060    254.135  666.287    223.286  22.645  8.1360  34.338  6.2332  -11.69301      10.24927  
1 1 1 3   67  15 o 17.865  6.9020  115.785    189.568  -101.8999  383.238  186.301    218.121  20.189  8.9202  20.435  7.5086  -0.2464333     11.65974  
1 1 1 3   67  16 o 189.275 3.7744  19522.33   773.758  19956.99   1563.79  19381.41   890.390  189.570 7.6162  188.393 4.3636  1.176498       8.777690  
1 1 1 3   67  17 o 109.569 3.0411  6531.14    360.901  6554.20    750.314  6524.20    411.648  108.744 6.3986  109.435 3.4729  -0.6915665     7.280366  
1 1 1 3   67  18 o 173.374 3.6052  16397.78   676.988  16654.40   1390.33  16318.03   775.079  172.690 7.4333  172.750 4.1425  -0.6005859E-01 8.509630  
1 1 1 3   67  19 o 116.310 3.1723  7374.48    399.628  8143.08    871.332  7169.73    449.717  120.696 6.6915  114.570 3.6241  6.126099       7.609887  
1 1 1 3   67  20 o 22.155  6.8348  276.039    180.375  376.082    441.752  256.023    197.598  28.164  10.620  21.746  7.2019  6.418217       12.83180  
1 1 1 3   67  21 o 113.590 3.1512  7047.71    387.686  6967.95    808.932  7071.49    441.719  111.070 6.7564  113.637 3.5889  -2.567322      7.650411  
1 1 1 3   67  22 o 90.487  3.1579  4478.14    309.495  4212.36    663.985  4551.91    349.821  85.748  7.2164  91.114  3.5448  -5.365257      8.040009  
1 1 1 3   67  23 o 51.713  4.4601  1494.45    247.366  1265.84    513.108  1563.67    282.343  44.454  10.770  52.697  5.0069  -8.242645      11.87706  
1 1 1 3   67  24 o 67.981  3.7081  2568.09    272.000  1487.86    571.321  2884.70    309.303  46.773  11.385  71.920  3.9862  -25.14738      12.06257  
1 1 1 3   67  25 o 47.003  2.6811  1217.28    135.927  0.0000     0.0000   1217.28    135.927  ?       ?       47.003  2.6811  0.000000       2.681122  
1 1 1 3   67  26 o 22.725  8.2579  299.024    262.779  0.0000     0.0000   299.024    262.779  ?       ?       22.725  8.2579  0.000000       8.257891  
1 1 1 3   67  27 o 45.796  6.7319  1286.58    323.951  0.0000     0.0000   1286.58    323.951  ?       ?       45.796  6.7319  0.000000       6.731905  
1 1 1 3   67  28 o 30.591  9.5168  665.831    348.878  0.0000     0.0000   665.831    348.878  ?       ?       30.591  9.5168  0.000000       9.516847  
1 1 1 3   68  0  o 127.723 3.0347  8842.63    419.816  8361.16    593.208  9325.73    594.213  124.133 4.4121  131.111 4.1844  -6.977669      6.080794  
1 1 1 3   68  1  o 333.872 5.7412  60569.12   2076.11  62687.15   2938.07  58456.90   2934.04  339.127 7.9989  327.410 8.2738  11.71622       11.50817  
1 1 1 3   68  2  o 93.536  3.1745  4743.03    321.605  5007.08    551.715  4607.13    395.807  95.866  5.3346  92.160  3.9653  3.706223       6.646922  
1 1 1 3   68  3  o 108.575 4.0824  6395.62    480.082  6140.98    677.671  6652.18    680.212  106.123 5.9193  110.492 5.7033  -4.367958      8.219861  
1 1 1 3   68  4  o 180.806 5.1357  17756.71   1005.73  16907.63   1423.49  18602.96   1421.13  176.138 7.4616  184.813 7.0996  -8.674759      10.29950  
1 1 1 3   68  5  o 223.472 5.9462  27161.05   1439.23  28117.04   2037.81  26209.60   2032.97  226.913 8.2915  219.020 8.5699  7.893860       11.92445  
1 1 1 3   68  6  o 172.340 3.5564  16111.51   663.854  16040.72   943.708  16180.85   934.029  171.814 5.0712  172.571 4.9972  -0.7573090     7.119586  
1 1 1 3   68  7  o 28.865  4.9425  465.480    148.963  398.962    228.046  514.986    196.736  26.687  7.5506  30.204  6.2208  -3.517828      9.783204  
1 1 1 3   68  8  o 95.084  2.8650  4902.71    295.055  4868.51    420.435  4935.90    414.177  94.685  4.0997  95.343  4.0107  -0.6587143     5.735270  
1 1 1 3   68  9  o 183.559 3.6756  18292.31   730.755  18658.61   1040.52  17935.81   1026.51  185.159 5.1884  181.532 5.2209  3.627426       7.360488  
1 1 1 3   68  10 o 221.532 4.1896  26676.88   1005.27  26742.73   1426.70  26611.94   1416.68  221.387 5.9499  220.853 5.9224  0.5344086      8.395013  
1 1 1 3   68  11 o 109.454 2.9881  6502.12    354.245  6417.73    515.812  6577.45    487.354  108.605 4.3850  109.982 4.0912  -1.376511      5.997207  
1 1 1 3   68  12 o 70.476  3.0546  2696.88    233.165  2533.13    354.629  2821.57    309.458  67.999  4.8468  71.911  3.9888  -3.912262      6.277097  
1 1 1 3   68  13 o 24.993  1.3856  339.522    37.362   263.869    242.358  341.364    37.814   22.976  7.9719  25.060  1.3988  -2.083731      8.093707  
1 1 1 3   68  14 o 136.421 3.2216  10115.69   476.013  10367.90   692.571  9889.87    655.340  137.841 4.6389  134.658 4.4933  3.183777       6.458260  
1 1 1 3   68  15 o 97.050  3.5871  5127.10    377.058  4587.50    665.067  5382.71    457.731  90.956  6.8001  99.335  4.2544  -8.379578      8.021315  
1 1 1 3   68  16 o 65.078  3.2853  2310.76    230.821  2112.10    504.038  2363.47    259.647  61.152  7.7867  65.759  3.6600  -4.607723      8.603937  
1 1 1 3   68  17 o 32.760  2.3194  585.731    81.769   950.858    421.828  571.476    83.350   40.158  9.7875  32.349  2.3959  7.809036       10.07650  
1 1 1 3   68  18 o 84.416  3.1231  3881.52    285.550  3787.56    658.317  3903.29    316.915  81.961  7.4989  84.597  3.4587  -2.635742      8.258101  
1 1 1 3   68  19 o 78.172  3.3198  3334.51    281.081  2506.35    650.896  3524.35    311.636  65.496  9.4488  80.316  3.5824  -14.82038      10.10510  
1 1 1 3   68  20 o 12.629  5.6719  -70.4808   161.579  -367.2822  435.283  -23.0478   174.012  18.601  8.6966  14.050  6.1146  4.551024       10.63103  
1 1 1 3   68  21 o 45.113  4.2112  1128.75    203.388  1150.26    491.111  1124.30    223.451  43.205  10.579  44.905  4.6622  -1.700142      11.56111  
1 1 1 3   68  22 f 20.086  7.3547  195.090    209.010  247.354    453.168  180.968    235.561  25.828  10.448  20.321  7.7329  5.507446       12.99827  
1 1 1 3   68  23 o 23.289  7.3970  315.781    209.694  468.935    462.138  276.073    235.313  28.975  10.875  22.453  7.8515  6.522511       13.41324  
1 1 1 3   68  24 o 62.474  2.6638  2140.87    180.249  2015.45    553.849  2155.73    190.626  56.225  9.4286  62.646  2.8094  -6.420853      9.838241  
1 1 1 3   68  25 o 25.697  8.3627  410.820    266.863  0.0000     0.0000   410.820    266.863  ?       ?       25.697  8.3627  0.000000       8.362713  
1 1 1 3   68  26 o 29.501  8.7379  573.508    299.006  0.0000     0.0000   573.508    299.006  ?       ?       29.501  8.7379  0.000000       8.737869  
1 1 1 3   68  27 o 34.027  9.5252  808.451    364.939  0.0000     0.0000   808.451    364.939  ?       ?       34.027  9.5252  0.000000       9.525220  
1 1 1 3   68  28 o 22.650  9.0600  282.363    336.634  0.0000     0.0000   282.363    336.634  ?       ?       22.650  9.0600  0.000000       9.059989  
1 1 1 3   69  0  o 128.555 3.1182  8959.60    434.169  8958.35    620.163  8960.80    608.032  128.474 4.4568  128.497 4.3688  -0.2308655E-01 6.240922  
1 1 1 3   69  1  o 188.662 3.7547  19306.19   767.241  19492.78   1085.93  19120.20   1084.16  189.424 5.2929  187.601 5.3357  1.823792       7.515604  
1 1 1 3   69  2  o 143.984 3.2484  11240.68   506.583  11184.51   716.011  11296.98   716.824  143.536 4.6056  144.257 4.5878  -0.7212677     6.500768  
1 1 1 3   69  3  o 149.979 3.2916  12197.30   534.690  12494.51   757.776  11902.60   754.567  151.701 4.6119  148.056 4.7054  3.644562       6.588705  
1 1 1 3   69  4  o 107.721 4.1182  6297.44    480.480  5807.11    691.907  6754.13    667.740  103.116 6.2243  111.463 5.5310  -8.346931      8.326739  
1 1 1 3   69  5  o 227.249 6.0261  28104.51   1483.23  28788.05   2100.01  27424.07   2095.22  229.454 8.4500  223.904 8.6397  5.550415       12.08494  
1 1 1 3   69  6  o 62.252  4.3624  2114.85    292.281  2022.23    418.874  2202.73    408.034  60.580  6.4846  63.325  6.0216  -2.745316      8.849263  
1 1 1 3   69  7  o 216.500 4.1063  25453.61   962.883  24964.10   1363.50  25940.56   1359.95  214.099 5.8799  218.273 5.7525  -4.173309      8.225821  
1 1 1 3   69  8  f 187.170 3.8915  19024.00   788.913  18317.33   1184.36  19587.63   1057.73  183.324 5.9648  189.729 5.1472  -6.405075      7.878606  
1 1 1 3   69  9  o 128.458 3.1019  8954.16    431.575  9067.94    621.491  8848.19    599.767  129.138 4.4434  127.575 4.3406  1.562477       6.211600  
1 1 1 3   69  10 o 249.423 4.5567  33854.70   1231.01  35318.92   1744.71  32403.16   1737.13  254.186 6.3373  243.375 6.5900  10.81033       9.142687  
1 1 1 3   69  11 o 205.736 3.9576  23018.73   881.880  23580.38   1256.13  22472.83   1238.39  207.801 5.5811  202.845 5.6367  4.955688       7.932238  
1 1 1 3   69  12 o 94.476  2.9484  4846.36    301.702  4751.94    437.778  4931.78    416.370  93.410  4.3270  95.196  4.0382  -1.785622      5.918657  
1 1 1 3   69  13 o 85.733  2.9323  3992.00    272.292  4238.54    400.677  3780.44    371.171  88.208  4.1939  83.314  4.1132  4.893692       5.874283  
1 1 1 3   69  14 o 109.149 3.0952  6474.94    365.915  6190.43    542.597  6712.26    495.559  106.474 4.7051  110.977 4.1228  -4.503128      6.255795  
1 1 1 3   69  15 o 126.858 3.2680  8755.23    449.022  8312.36    636.426  9194.19    633.609  123.290 4.7660  129.731 4.5093  -6.440720      6.561095  
1 1 1 3   69  16 o 76.838  3.0846  3211.87    256.710  2371.52    556.782  3438.73    289.294  64.705  8.1238  79.471  3.3609  -14.76610      8.791553  
1 1 1 3   69  17 o 68.182  3.1965  2531.50    236.053  2101.67    521.149  2642.45    264.771  60.739  8.1255  69.530  3.5274  -8.791561      8.858088  
1 1 1 3   69  18 o 58.309  2.0841  1846.21    131.619  1448.02    464.285  1881.01    137.250  49.831  8.9303  58.850  2.1532  -9.018860      9.186196  
1 1 1 3   69  19 o 88.714  3.1166  4291.76    299.466  4501.40    625.089  4229.31    341.165  89.616  6.4837  87.968  3.5807  1.648010       7.406780  
1 1 1 3   69  20 o 54.352  3.8190  1626.76    223.390  1148.20    494.676  1749.35    250.374  43.275  10.631  56.293  4.1354  -13.01779      11.40661  
1 1 1 3   69  21 f 85.244  3.1616  3971.46    291.906  3908.07    640.778  3988.06    327.907  82.715  7.2249  85.321  3.5483  -2.606087      8.049219  
1 1 1 3   69  22 o 88.457  3.3438  4291.24    320.359  3744.69    663.818  4457.18    365.774  80.175  7.7405  90.005  3.7521  -9.829193      8.601999  
1 1 1 3   69  23 o 41.981  2.6125  967.896    118.202  1161.25    508.821  956.867    121.527  41.809  11.064  41.720  2.7040  0.8922577E-01  11.38974  
1 1 1 3   69  24 o 25.954  7.3844  414.425    217.487  197.009    480.383  470.478    243.917  24.460  10.393  27.490  7.8198  -3.029448      13.00662  
1 1 1 3   69  25 o 53.911  6.3118  1722.24    361.575  0.0000     0.0000   1722.24    361.575  ?       ?       53.911  6.3118  0.000000       6.311810  
1 1 1 3   69  26 o 20.484  8.0886  200.636    265.065  0.0000     0.0000   200.636    265.065  ?       ?       20.484  8.0886  0.000000       8.088638  
1 1 1 3   69  27 o 35.564  7.8774  822.020    295.439  0.0000     0.0000   822.020    295.439  ?       ?       35.564  7.8774  0.000000       7.877390  
1 1 1 3   69  28 o 23.220  8.9310  323.475    316.302  0.0000     0.0000   323.475    316.302  ?       ?       23.220  8.9310  0.000000       8.930974  
1 1 1 3   70  0  o 151.034 3.3016  12370.04   540.092  12038.16   765.737  12698.60   761.890  148.888 4.7484  152.930 4.5997  -4.042694      6.610960  
1 1 1 3   70  1  f 122.706 3.0498  8163.42    405.323  7882.18    580.887  8430.28    565.835  120.495 4.4510  124.631 4.1917  -4.136299      6.114048  
1 1 1 3   70  2  o 102.373 2.8467  5681.46    315.647  5845.06    446.489  5518.00    446.295  103.786 3.9720  100.834 4.0864  2.951454       5.698713  
1 1 1 3   70  3  o 203.464 3.9044  22464.64   860.417  23205.03   1219.58  21730.93   1214.07  206.591 5.4504  199.898 5.6074  6.692581       7.819854  
1 1 1 3   70  4  o 139.135 3.1848  10498.66   479.939  10464.21   683.835  10532.09   673.750  138.803 4.5487  139.259 4.4669  -0.4566803     6.375216  
1 1 1 3   70  5  o 191.236 5.3333  19891.12   1104.68  20897.29   1565.74  18893.87   1558.79  195.626 7.3896  185.938 7.7401  9.687973       10.70121  
1 1 1 3   70  6  o 24.087  7.2866  318.941    206.313  262.603    299.221  369.998    284.850  24.190  8.8086  26.465  8.6413  -2.275284      12.33948  
1 1 1 3   70  7  o 34.517  5.7261  666.059    206.572  515.046    313.770  781.586    274.439  30.368  8.9391  37.221  7.0659  -6.852604      11.39450  
1 1 1 3   70  8  f 184.125 5.2343  18461.62   1043.86  17797.91   1479.98  19118.67   1472.54  180.241 7.5811  186.894 7.2745  -6.653229      10.50673  
1 1 1 3   70  9  o 109.546 2.9570  6511.69    350.845  6666.22    512.041  6374.93    481.689  110.719 4.2699  108.289 4.1069  2.429283       5.924364  
1 1 1 3   70  10 o 133.667 3.1533  9700.59    456.525  10084.39   658.609  9345.64    633.376  136.110 4.4675  131.030 4.4629  5.079575       6.314787  
1 1 1 3   70  11 o 121.304 3.0625  7990.26    402.372  8049.54    579.262  7934.99    559.339  121.579 4.3989  120.729 4.2775  0.8500137      6.135756  
1 1 1 3   70  12 o 78.576  3.0010  3353.32    255.405  3073.02    386.714  3570.18    340.146  74.904  4.7918  80.999  3.8772  -6.095070      6.163894  
1 1 1 3   70  13 o 16.548  6.2792  107.298    155.038  62.643     274.822  128.143    187.771  19.398  8.0242  18.139  6.9037  1.259037       10.58531  
1 1 1 3   70  14 o 83.536  3.2354  3794.85    292.736  3749.59    445.141  3829.33    388.582  82.652  4.9959  83.673  4.3023  -1.020683      6.593115  
1 1 1 3   70  15 o 58.161  2.4897  1837.00    156.835  1827.38    361.382  1839.23    174.083  57.352  5.9019  58.177  2.7627  -0.8249817     6.516496  
1 1 1 3   70  16 o 59.908  3.3917  1961.00    219.174  2108.37    485.234  1923.23    245.662  61.125  7.4857  59.251  3.8489  1.874592       8.417207  
1 1 1 3   70  17 o 46.073  4.1458  1170.00    204.668  1612.19    446.785  1052.56    230.247  53.062  8.0246  43.507  4.9756  9.554695       9.441964  
1 1 1 3   70  18 o 36.693  1.6887  730.511    67.111   617.059    420.200  733.481    67.984   32.689  10.480  36.767  1.7072  -4.077801      10.61859  
1 1 1 3   70  19 o 50.476  2.4518  1386.01    134.041  1212.49    469.085  1401.44    139.874  44.923  9.9069  50.683  2.5563  -5.759174      10.23143  
1 1 1 3   70  20 o 17.936  1.5669  175.911    30.135   121.477    399.637  176.222    30.221   23.181  9.6398  17.952  1.5701  5.228930       9.766792  
1 1 1 3   70  21 o 37.779  1.7335  775.233    70.935   618.774    476.907  778.773    71.733   32.474  11.188  37.865  1.7491  -5.390434      11.32353  
1 1 1 3   70  22 o 33.406  1.5349  606.126    55.534   284.931    472.978  610.615    55.921   26.433  10.680  33.529  1.5399  -7.096521      10.79074  
1 1 1 3   70  23 o 51.524  4.3625  1492.39    241.169  1416.31    526.950  1512.55    271.244  46.233  10.730  51.625  4.9101  -5.391544      11.80010  
1 1 1 3   70  24 o 21.004  7.6043  239.337    222.529  329.395    470.934  213.449    252.497  26.072  10.613  20.874  7.9911  5.198080       13.28481  
1 1 1 3   70  25 o 44.076  6.8811  1177.60    317.761  0.0000     0.0000   1177.60    317.761  ?       ?       44.076  6.8811  0.000000       6.881124  
1 1 1 3   70  26 o 71.840  4.7246  2959.70    365.572  0.0000     0.0000   2959.70    365.572  ?       ?       71.840  4.7246  0.000000       4.724607  
1 1 1 3   70  27 o 43.660  6.8605  1183.07    313.721  0.0000     0.0000   1183.07    313.721  ?       ?       43.660  6.8605  0.000000       6.860509  
1 1 1 3   71  0  o 135.885 3.1341  10013.21   461.274  10130.24   652.835  9896.53    651.847  136.585 4.4130  134.997 4.4581  1.588486       6.272878  
1 1 1 3   71  1  o 175.065 3.5559  16626.91   674.256  16856.77   954.675  16398.14   952.414  176.118 5.0047  173.699 5.0624  2.419449       7.118669  
1 1 1 3   71  2  o 82.164  2.7929  3660.14    248.551  3755.66    354.280  3567.54    348.792  83.184  3.9322  81.072  3.9721  2.111923       5.589299  
1 1 1 3   71  3  o 158.258 3.3810  13586.75   579.536  13793.10   822.771  13383.55   816.439  159.320 4.7680  156.933 4.8033  2.387115       6.768006  
1 1 1 3   71  4  o 180.971 3.6514  17773.58   715.713  17560.06   1016.07  17983.86   1008.32  179.683 5.2209  181.853 5.1192  -2.170441      7.311941  
1 1 1 3   71  5  o 44.998  3.7107  1106.52    179.237  1042.82    259.655  1164.51    247.725  43.405  5.6577  45.999  5.0557  -2.594158      7.587466  
1 1 1 3   71  6  o 43.748  4.8299  1053.43    225.046  948.142    305.732  1177.94    332.471  41.076  7.1306  45.943  6.8941  -4.866932      9.918328  
1 1 1 3   71  7  o 21.894  7.2445  249.689    199.962  271.590    283.072  227.875    282.505  24.033  8.5918  23.033  8.5306  1.000423       12.10747  
1 1 1 3   71  8  o 209.331 5.7031  23903.39   1293.04  23617.09   1828.40  24189.85   1828.88  207.296 8.1435  209.831 8.0472  -2.534683      11.44873  
1 1 1 3   71  9  o 269.162 6.9172  39705.61   2016.58  40578.46   2854.16  38835.54   2849.61  270.532 9.7407  264.527 9.9459  6.004608       13.92127  
1 1 1 3   71  10 o 60.229  3.3345  1976.52    216.678  1810.69    327.212  2106.03    289.161  57.357  5.3280  62.051  4.3296  -4.694313      6.865401  
1 1 1 3   71  11 o 113.139 3.0346  6951.71    371.859  7081.40    542.965  6837.13    510.328  114.012 4.3969  112.057 4.2047  1.955330       6.083824  
1 1 1 3   71  12 o 37.142  4.0357  759.870    159.736  1091.20    280.579  600.984    194.296  44.230  6.0127  32.676  5.6970  11.55404       8.282982  
1 1 1 3   71  13 o 12.553  5.6293  -71.7335   158.526  -85.1069   271.377  -64.8061   195.315  16.880  7.4800  14.304  6.3416  2.576437       9.806426  
1 1 1 3   71  14 o 143.643 3.3596  11227.69   522.686  11099.86   748.317  11349.47   730.389  142.454 4.8500  144.096 4.6799  -1.642120      6.739702  
1 1 1 3   71  15 o 132.849 3.2674  9605.64    470.145  9631.19    680.496  9582.31    650.302  132.663 4.7359  132.383 4.5354  0.2799377      6.557344  
1 1 1 3   71  16 o 67.417  3.2726  2475.35    238.962  2156.30    520.115  2560.72    269.038  61.610  7.9819  68.429  3.6431  -6.818535      8.774014  
1 1 1 3   71  17 o 44.532  4.2780  1095.44    203.803  715.614    444.310  1196.66    229.354  34.948  10.718  46.489  4.6160  -11.54132      11.66988  
1 1 1 3   71  18 o 30.542  5.9959  534.474    191.266  707.859    419.091  488.860    214.958  34.560  10.370  29.010  6.9354  5.550608       12.47506  
1 1 1 3   71  19 o 61.047  3.4218  2043.05    225.337  1682.05    500.883  2134.66    252.312  53.470  8.9662  62.328  3.7551  -8.857609      9.720719  
1 1 1 3   71  20 o 52.720  2.3749  1512.59    135.613  1663.56    474.444  1499.16    141.518  53.234  8.5156  52.473  2.4900  0.7611847      8.872155  
1 1 1 3   71  21 o 75.619  3.5581  3137.85    291.417  2819.84    588.425  3241.20    335.444  69.525  7.9574  76.602  4.0575  -7.077049      8.932216  
1 1 1 3   71  22 o 77.140  3.5089  3277.10    293.172  2987.03    619.175  3360.92    332.848  70.699  8.2405  77.849  3.9605  -7.149994      9.142838  
1 1 1 3   71  23 o 55.316  4.3212  1720.52    256.840  1625.40    542.885  1747.95    291.530  49.680  10.422  55.468  4.9030  -5.788582      11.51756  
1 1 1 3   71  24 o 17.570  7.3457  75.387     233.826  0.0000     0.0000   75.387     233.826  ?       ?       17.570  7.3457  0.000000       7.345711  
1 1 1 3   71  25 o 26.443  9.5440  438.700    350.146  0.0000     0.0000   438.700    350.146  ?       ?       26.443  9.5440  0.000000       9.544024  
1 1 1 3   71  26 o 17.796  7.6847  50.123     270.590  0.0000     0.0000   50.123     270.590  ?       ?       17.796  7.6847  0.000000       7.684709  
1 1 1 3   71  27 o 17.714  7.7208  39.823     278.336  0.0000     0.0000   39.823     278.336  ?       ?       17.714  7.7208  0.000000       7.720782  
1 1 1 3   72  0  o 48.205  3.1565  1265.73    163.894  1115.43    235.692  1406.44    228.058  45.035  4.9116  50.721  4.1888  -5.685226      6.455240  
1 1 1 3   72  1  o 229.985 4.3032  28727.61   1071.93  28660.49   1517.98  28794.36   1513.89  229.378 6.1101  229.920 6.0792  -0.5418243     8.619152  
1 1 1 3   72  2  o 153.028 3.2937  12703.99   545.923  12714.37   772.948  12693.66   771.158  152.956 4.6657  152.832 4.6586  0.1237946      6.593268  
1 1 1 3   72  3  o 132.880 3.1136  9577.64    448.116  9716.70    638.114  9442.34    629.438  133.733 4.4054  131.831 4.4082  1.901794       6.232220  
1 1 1 3   72  4  o 74.492  2.5187  3008.48    203.216  2894.23    260.507  3186.09    324.794  73.035  3.2932  76.498  3.9333  -3.462845      5.129911  
1 1 1 3   72  5  o 85.579  2.8864  3972.44    267.540  4130.61    387.444  3828.29    369.885  87.196  4.1024  83.947  4.0681  3.249321       5.777481  
1 1 1 3   72  6  o 103.793 2.9099  5844.20    327.121  5426.87    464.612  6254.44    460.650  99.916  4.2932  107.294 3.9639  -7.377914      5.843336  
1 1 1 3   72  7  o 85.882  2.8905  4001.81    268.873  4032.01    385.507  3973.21    375.189  86.122  4.1328  85.498  4.0516  0.6239853      5.787534  
1 1 1 3   72  8  o 202.888 5.5819  22463.95   1226.61  23145.03   1735.11  21783.53   1734.26  205.192 7.8072  198.973 8.0473  6.218872       11.21210  
1 1 1 3   72  9  f 119.064 4.2510  7714.70    548.197  7944.50    793.257  7504.62    758.450  120.363 6.1048  116.999 6.0054  3.364037       8.563519  
1 1 1 3   72  10 o 72.927  4.3134  2906.07    339.190  3139.41    545.583  2759.06    433.053  75.338  6.7580  70.814  5.6942  4.523529       8.837156  
1 1 1 3   72  11 o 51.327  3.6372  1439.91    200.893  1191.85    309.371  1620.78    264.167  46.198  6.3508  54.342  4.5295  -8.144352      7.800561  
1 1 1 3   72  12 o 98.872  2.8696  5309.60    307.303  5595.90    480.796  5111.87    399.574  101.305 4.3819  96.906  3.8070  4.399422       5.804629  
1 1 1 3   72  13 o 207.292 4.0170  23421.01   901.881  23449.35   1285.21  23393.51   1265.91  206.725 5.7400  206.517 5.6595  0.2087555      8.060853  
1 1 1 3   72  14 o 72.694  3.3667  2876.21    265.076  2968.70    411.888  2810.81    346.327  73.420  5.2135  71.587  4.4893  1.832542       6.880010  
1 1 1 3   72  15 o 74.673  3.4189  3037.08    276.514  2741.51    409.803  3284.13    374.656  70.445  5.4123  77.364  4.4905  -6.918671      7.032642  
1 1 1 3   72  16 o 64.435  3.9439  2276.26    273.917  2293.39    508.441  2269.25    325.135  63.678  7.5168  64.169  4.7110  -0.4902840     8.871078  
1 1 1 3   72  17 o 75.143  3.1109  3076.83    253.192  3149.56    554.601  3057.68    284.578  74.832  6.9210  74.846  3.5105  -0.1381683E-01 7.760401  
1 1 1 3   72  18 o 122.543 3.1600  8191.02    419.419  7177.72    865.815  8501.71    479.426  112.882 7.1180  124.729 3.5488  -11.84768      7.953658  
1 1 1 3   72  19 o 50.911  3.9689  1429.87    217.126  918.549    472.186  1566.98    244.509  38.733  10.832  53.233  4.2768  -14.50027      11.64585  
1 1 1 3   72  20 o 50.399  4.0677  1405.22    220.154  1140.89    473.303  1478.20    248.696  43.072  10.287  51.581  4.4965  -8.508774      11.22684  
1 1 1 3   72  21 o 28.653  6.5966  483.749    200.484  416.959    428.179  502.504    226.892  28.109  10.484  29.057  7.2367  -0.9479446     12.73910  
1 1 1 3   72  22 o 20.333  7.4095  211.667    211.775  21.786     474.443  258.912    236.659  22.715  9.9853  21.950  7.8550  0.7649689      12.70457  
1 1 1 3   72  23 o 12.813  5.9657  -156.2706  201.461  -379.1863  465.943  -105.0154  223.425  18.520  8.7632  14.338  6.5307  4.182394       10.92905  
1 1 1 3   72  24 o 52.440  6.2610  1623.90    348.576  0.0000     0.0000   1623.90    348.576  ?       ?       52.440  6.2610  0.000000       6.260962  
1 1 1 3   72  25 o 75.002  4.9543  3229.93    400.195  0.0000     0.0000   3229.93    400.195  ?       ?       75.002  4.9543  0.000000       4.954279  
1 1 1 3   72  26 o 27.979  8.6117  520.938    286.536  0.0000     0.0000   520.938    286.536  ?       ?       27.979  8.6117  0.000000       8.611693  
1 1 1 3   72  27 o 58.201  5.3141  1988.73    331.294  0.0000     0.0000   1988.73    331.294  ?       ?       58.201  5.3141  0.000000       5.314085  
1 1 1 3   73  0  o 69.830  2.8093  2644.33    212.478  2612.58    299.454  2676.53    301.536  69.246  4.0099  70.093  3.9884  -0.8470993     5.655622  
1 1 1 3   73  1  o 136.387 3.1321  10090.93   462.680  9634.01    656.439  10542.03   652.238  133.137 4.5522  139.295 4.3232  -6.157562      6.277952  
1 1 1 3   73  2  f 132.547 3.1348  9531.09    450.036  9276.83    634.175  9789.03    638.744  130.647 4.4817  134.214 4.3940  -3.567612      6.276337  
1 1 1 3   73  3  o 98.094  2.8722  5219.08    305.162  4963.19    436.869  5462.92    426.448  95.574  4.2203  100.292 3.9258  -4.718613      5.763919  
1 1 1 3   73  4  o 94.110  2.8319  4803.96    288.661  4603.75    409.207  5002.27    407.257  92.048  4.1045  95.964  3.9182  -3.915421      5.674448  
1 1 1 3   73  5  o 38.470  3.9084  812.260    160.588  710.217    238.400  897.023    217.279  35.525  6.4328  40.274  5.0951  -4.749043      8.206089  
1 1 1 3   73  6  o 94.333  2.9300  4828.45    299.359  4692.54    420.891  4967.59    425.869  92.902  4.1829  95.592  4.1132  -2.690186      5.866434  
1 1 1 3   73  7  o 74.529  2.8833  3014.25    232.747  2992.52    340.752  3033.26    318.664  74.048  4.2667  74.592  3.9585  -0.5438766     5.820183  
1 1 1 3   73  8  o 17.325  5.8657  152.297    131.006  -234.2762  211.828  391.741    166.713  12.649  5.9617  26.255  5.9944  -13.60573      8.454276  
1 1 1 3   73  9  o 88.515  4.0368  4263.08    387.014  4251.63    566.800  4273.08    529.722  87.951  5.9857  88.260  5.5699  -0.3095856     8.176293  
1 1 1 3   73  10 o 26.247  7.6282  387.688    229.789  630.942    366.061  229.500    295.197  33.269  9.6162  23.256  8.6989  10.01332       12.96695  
1 1 1 3   73  11 o 55.133  4.6765  1670.08    276.625  1934.31    455.111  1515.28    348.361  58.805  7.3027  52.183  6.2903  6.621998       9.638318  
1 1 1 3   73  12 o 21.105  7.4209  218.442    210.348  18.992     398.207  295.635    247.732  22.174  9.4434  23.847  8.0662  -1.673033      12.41935  
1 1 1 3   73  13 o 86.888  3.1753  4105.98    298.825  3274.46    447.152  4777.04    401.697  77.104  5.3882  93.609  3.9620  -16.50500      6.688070  
1 1 1 3   73  14 o 138.623 3.3082  10459.48   496.702  10598.81   721.792  10334.15   684.572  139.158 4.7889  137.467 4.5978  1.691803       6.638764  
1 1 1 3   73  15 o 76.628  3.3487  3198.52    277.929  3300.96    431.567  3125.94    363.293  77.366  5.1802  75.455  4.4652  1.911293       6.838998  
1 1 1 3   73  16 f 68.759  2.7944  2572.14    208.109  2507.46    529.791  2583.94    226.300  66.581  7.4758  68.888  3.0330  -2.307556      8.067598  
1 1 1 3   73  17 o 37.704  4.7312  792.977    188.953  607.431    437.614  835.496    209.488  32.594  10.714  38.620  5.1355  -6.026157      11.88118  
1 1 1 3   73  18 o 36.491  4.9812  747.422    191.731  995.936    441.947  689.805    212.800  40.588  10.095  34.802  5.8532  5.786373       11.66918  
1 1 1 3   73  19 o 112.713 3.2306  6939.72    394.390  6403.85    800.327  7111.58    453.243  106.407 6.9830  113.958 3.6721  -7.550476      7.889681  
1 1 1 3   73  20 o 90.858  3.3360  4519.91    328.293  3428.70    714.753  4811.67    369.585  76.299  8.8110  93.646  3.6438  -17.34628      9.534730  
1 1 1 3   73  21 o 34.468  5.7310  685.672    206.439  552.811    440.135  723.145    233.745  30.500  10.734  35.181  6.3687  -4.681488      12.48086  
1 1 1 3   73  22 o 75.053  3.5536  3113.83    288.874  3019.27    600.625  3142.29    329.485  70.754  7.9768  75.058  4.0681  -4.304283      8.954260  
1 1 1 3   73  23 o 32.406  7.1129  640.878    242.805  586.894    503.668  657.222    277.134  30.421  11.366  32.430  7.9511  -2.008926      13.87096  
1 1 1 3   73  24 o 62.021  5.2760  2215.91    351.046  0.0000     0.0000   2215.91    351.046  ?       ?       62.021  5.2760  0.000000       5.275977  
1 1 1 3   73  25 o 32.504  8.9756  705.655    326.400  0.0000     0.0000   705.655    326.400  ?       ?       32.504  8.9756  0.000000       8.975559  
1 1 1 3   73  26 o 19.415  7.8200  165.685    252.693  0.0000     0.0000   165.685    252.693  ?       ?       19.415  7.8200  0.000000       7.819986  
1 1 1 3   74  0  o 32.635  4.1587  587.996    143.657  646.770    211.017  537.226    196.123  33.954  5.9550  30.857  6.0844  3.097284       8.513663  
1 1 1 3   74  1  o 44.230  3.3976  1068.04    161.519  1169.71    233.238  974.352    223.892  46.134  4.7348  42.019  5.0189  4.115803       6.899842  
1 1 1 3   74  2  o 114.836 2.8923  7153.64    359.738  6952.75    511.340  7350.49    506.191  113.109 4.1739  116.314 4.0180  -3.205154      5.793607  
1 1 1 3   74  3  o 121.419 3.0006  7998.92    394.604  8159.99    556.682  7836.24    559.439  122.526 4.1948  120.060 4.3021  2.466629       6.008705  
1 1 1 3   74  4  o 39.579  3.6691  858.077    155.501  794.663    228.534  912.748    212.197  37.745  5.7737  40.655  4.9190  -2.910038      7.584993  
1 1 1 3   74  5  o 77.393  2.9312  3250.21    245.702  3310.22    349.457  3191.54    345.527  77.916  4.1559  76.499  4.1861  1.417023       5.898744  
1 1 1 3   74  6  o 182.827 3.6456  18161.74   721.914  18903.09   1023.34  17427.30   1018.56  186.234 5.0733  178.774 5.2603  7.460220       7.308172  
1 1 1 3   74  7  o 90.198  2.8808  4415.60    281.438  4103.40    406.876  4702.01    389.706  86.831  4.3263  92.995  3.8691  -6.164093      5.804034  
1 1 1 3   74  8  f 117.112 2.9856  7446.51    378.701  7501.33    544.371  7395.11    527.172  117.384 4.2817  116.565 4.1755  0.8190918      5.980637  
1 1 1 3   74  9  o 149.039 3.3054  12069.84   533.570  11862.94   760.146  12270.80   749.137  147.492 4.7584  150.037 4.6099  -2.545975      6.625213  
1 1 1 3   74  10 o 82.891  4.1775  3751.75    373.843  3638.47    565.223  3839.84    498.440  81.156  6.4844  83.604  5.5358  -2.448074      8.526030  
1 1 1 3   74  11 o 15.314  6.8281  -87.8856   229.699  -521.3333  424.922  91.065     273.028  17.352  8.2561  19.860  8.0821  -2.508522      11.55349  
1 1 1 3   74  12 o 146.163 4.6821  11672.67   741.219  12431.90   1066.80  10964.08   1030.61  150.204 6.5574  140.986 6.7491  9.217575       9.410135  
1 1 1 3   74  13 o 178.790 5.3138  17526.77   1029.01  16189.97   1472.07  18804.16   1438.99  170.532 7.9699  184.240 7.2111  -13.70859      10.74799  
1 1 1 3   74  14 o 135.153 3.8778  9964.61    567.649  9054.81    1033.64  10357.49   679.244  127.357 7.5267  137.601 4.5576  -10.24383      8.799052  
1 1 1 3   74  15 o 83.656  3.3075  3812.88    299.685  3518.66    461.037  4028.15    394.367  79.803  5.3651  85.820  4.2427  -6.016403      6.839931  
1 1 1 3   74  16 o 28.666  2.3763  449.636    73.117   911.799    477.020  438.517    73.991   38.984  10.882  28.300  2.4377  10.68445       11.15184  
1 1 1 3   74  17 o 51.769  3.9373  1475.33    219.113  1468.23    613.489  1476.36    234.585  48.887  11.735  51.725  4.2242  -2.837429      12.47214  
1 1 1 3   74  18 o 142.124 3.3456  11034.82   515.007  10946.50   1047.59  11062.96   591.407  139.575 6.9297  142.109 3.8423  -2.534286      7.923677  
1 1 1 3   74  19 o 149.658 3.4622  12257.54   561.206  9957.63    1128.66  13012.93   646.835  131.786 7.9444  153.996 3.8780  -22.21025      8.840395  
1 1 1 3   74  20 o 85.756  3.2503  4027.73    301.893  3229.17    628.420  4267.31    344.214  74.425  7.9174  88.156  3.6050  -13.73141      8.699528  
1 1 1 3   74  21 o 19.133  6.9453  183.650    185.814  556.017    424.085  95.180     206.712  30.264  10.543  17.460  7.0586  12.80389       12.68761  
1 1 1 3   74  22 o 40.039  5.0586  918.332    214.478  596.516    463.444  1006.04    241.947  30.653  10.990  41.741  5.4844  -11.08778      12.28224  
1 1 1 3   74  23 o 50.014  2.5499  1374.69    137.670  0.0000     0.0000   1374.69    137.670  ?       ?       50.014  2.5499  0.000000       2.549869  
1 1 1 3   74  24 o 39.926  7.8432  999.702    327.074  0.0000     0.0000   999.702    327.074  ?       ?       39.926  7.8432  0.000000       7.843220  
1 1 1 3   74  25 o 69.419  5.4495  2810.60    406.448  0.0000     0.0000   2810.60    406.448  ?       ?       69.419  5.4495  0.000000       5.449541  
1 1 1 3   74  26 o 38.469  7.9550  954.872    320.508  0.0000     0.0000   954.872    320.508  ?       ?       38.469  7.9550  0.000000       7.955006  
1 1 1 3   75  0  o 120.841 2.9889  7923.21    391.193  7350.31    553.140  8496.48    553.322  116.261 4.3927  125.032 4.0859  -8.771141      5.999189  
1 1 1 3   75  1  o 127.136 3.0280  8770.93    416.966  8762.34    592.198  8779.37    587.191  126.945 4.3071  127.073 4.2663  -0.1281433     6.062374  
1 1 1 3   75  2  o 56.395  2.9524  1730.38    179.712  1574.72    252.670  1889.73    255.659  53.632  4.3881  58.828  4.0369  -5.195808      5.962532  
1 1 1 3   75  3  o 142.452 3.2046  11015.54   494.433  10920.16   704.933  11107.89   693.672  141.657 4.5945  142.886 4.4822  -1.229156      6.418732  
1 1 1 3   75  4  o 176.109 3.5958  16848.34   685.888  16582.14   972.980  17111.30   967.031  174.427 5.1502  177.212 5.0382  -2.785507      7.204693  
1 1 1 3   75  5  o 73.579  2.8537  2937.94    227.421  3062.72    322.201  2814.05    321.047  74.947  3.9835  71.811  4.1453  3.136719       5.749089  
1 1 1 3   75  6  o 82.616  2.8727  3704.44    257.056  3643.85    376.038  3757.59    352.197  81.719  4.2633  83.128  3.9117  -1.408669      5.785962  
1 1 1 3   75  7  o 62.963  2.9754  2152.31    202.910  2246.01    300.653  2073.93    274.977  64.081  4.3577  61.595  4.1458  2.485161       6.014784  
1 1 1 3   75  8  o 135.154 3.1320  9921.74    458.474  10155.78   653.593  9695.01    643.290  136.538 4.4196  133.398 4.4523  3.139130       6.273452  
1 1 1 3   75  9  o 69.424  2.9194  2617.31    219.518  2653.12    328.875  2588.53    294.802  69.642  4.3824  68.848  3.9702  0.7941055      5.913381  
1 1 1 3   75  10 o 154.917 3.3876  13049.70   568.406  12491.54   808.433  13595.37   799.341  151.225 4.9357  157.834 4.6758  -6.609314      6.798880  
1 1 1 3   75  11 o 110.106 3.0317  6589.13    361.549  6932.42    532.614  6295.75    492.370  112.721 4.3625  107.444 4.2310  5.277107       6.077205  
1 1 1 3   75  12 f 142.115 4.6178  11036.43   710.797  11461.86   1033.96  10655.23   978.747  144.148 6.6225  139.030 6.4997  5.118103       9.279215  
1 1 1 3   75  13 o 31.772  7.0141  580.093    234.913  692.904    427.124  531.171    281.274  34.662  10.484  30.343  8.3129  4.318193       13.37971  
1 1 1 3   75  14 o 99.040  4.3980  5365.39    471.778  5070.08    723.334  5584.02    622.380  95.293  7.0584  100.532 5.7396  -5.239693      9.097535  
1 1 1 3   75  15 o 71.025  5.0865  2786.74    388.701  2792.06    608.154  2783.06    505.408  70.032  8.1713  70.475  6.7019  -0.4430847     10.56813  
1 1 1 3   75  16 o 50.959  4.2837  1432.75    234.238  1302.83    516.921  1466.32    262.764  46.589  10.496  51.445  4.7701  -4.855263      11.52893  
1 1 1 3   75  17 o 118.088 3.1683  7607.65    405.225  6925.43    859.628  7802.56    459.480  110.779 7.2036  119.479 3.5506  -8.699974      8.031137  
1 1 1 3   75  18 o 60.660  3.9139  2025.21    255.777  1777.58    554.596  2092.11    288.265  54.608  9.7336  61.542  4.3527  -6.933849      10.66247  
1 1 1 3   75  19 o 129.211 3.3178  9135.79    464.327  7850.14    941.563  9548.91    533.742  117.148 7.4595  131.918 3.7356  -14.76991      8.342597  
1 1 1 3   75  20 o 79.797  3.4555  3497.49    298.658  3255.33    601.773  3576.63    344.015  74.739  7.5368  80.524  3.9444  -5.784714      8.506573  
1 1 1 3   75  21 o 54.708  4.2242  1674.26    248.363  1526.48    500.613  1722.51    286.049  49.043  9.7676  55.229  4.8305  -6.186272      10.89675  
1 1 1 3   75  22 o 39.704  2.4483  865.760    104.772  393.358    470.496  890.408    107.471  27.268  10.774  40.261  2.4766  -12.99231      11.05463  
1 1 1 3   75  23 o 29.750  7.8738  556.199    257.672  0.0000     0.0000   556.199    257.672  ?       ?       29.750  7.8738  0.000000       7.873803  
1 1 1 3   75  24 o 41.287  7.1634  1047.33    308.723  0.0000     0.0000   1047.33    308.723  ?       ?       41.287  7.1634  0.000000       7.163433  
1 1 1 3   75  25 o 31.127  8.6396  644.354    301.567  0.0000     0.0000   644.354    301.567  ?       ?       31.127  8.6396  0.000000       8.639559  
1 1 1 3   75  26 o 22.288  8.4836  281.482    283.562  0.0000     0.0000   281.482    283.562  ?       ?       22.288  8.4836  0.000000       8.483577  
1 1 1 3   76  0  o 117.958 2.9540  7550.86    377.410  7734.79    536.801  7371.08    530.727  119.265 4.1556  116.421 4.2089  2.844032       5.914690  
1 1 1 3   76  1  o 78.532  2.7968  3346.13    237.891  3280.30    335.755  3412.50    337.108  77.576  4.0097  79.234  3.9281  -1.658379      5.613182  
1 1 1 3   76  2  o 105.015 2.8877  5984.53    328.449  5930.20    468.950  6036.85    460.169  104.425 4.1462  105.372 4.0320  -0.9468002     5.783454  
1 1 1 3   76  3  f 90.403  2.8425  4434.92    278.325  4368.20    400.079  4497.50    387.446  89.620  4.1216  90.954  3.9329  -1.334023      5.697007  
1 1 1 3   76  4  o 122.348 2.9644  8125.02    392.831  8271.55    559.618  7982.68    551.565  123.306 4.1902  121.132 4.2041  2.174072       5.935668  
1 1 1 3   76  5  o 131.108 3.0887  9333.19    438.601  9285.91    621.661  9380.04    618.898  130.602 4.3947  131.269 4.3530  -0.6668549     6.185647  
1 1 1 3   76  6  o 53.309  3.0509  1548.12    175.426  1553.66    253.283  1543.01    243.202  53.231  4.4334  53.071  4.2671  0.1599846      6.153310  
1 1 1 3   76  7  o 10.087  4.7372  -138.9812  131.663  -398.9120  197.878  67.516     176.370  10.415  5.1114  16.260  6.5388  -5.845393      8.299509  
1 1 1 3   76  8  o 20.383  0.9322  225.063    20.581   228.324    20.721   -13.7054   177.297  20.530  0.9319  14.503  6.2415  6.027614       6.310720  
1 1 1 3   76  9  o 92.484  2.8769  4645.37    288.182  4599.99    421.499  4685.20    394.901  91.878  4.2356  92.765  3.9304  -0.8869553     5.778240  
1 1 1 3   76  10 f 101.488 2.9532  5596.45    324.626  5774.71    471.576  5435.90    447.548  102.913 4.2307  99.863  4.1378  3.049896       5.917764  
1 1 1 3   76  11 o 81.079  3.2025  3575.06    281.232  3110.74    410.084  3987.33    386.414  75.231  5.0622  85.502  4.1726  -10.27118      6.560251  
1 1 1 3   76  12 o 150.254 3.3978  12288.99   552.962  12307.68   790.178  12271.05   774.082  149.966 4.8648  149.772 4.7718  0.1937256      6.814431  
1 1 1 3   76  13 o 105.014 3.1024  6000.56    352.873  6265.87    514.051  5764.12    485.267  107.047 4.4337  102.687 4.3631  4.359764       6.220445  
1 1 1 3   76  14 o 21.984  7.7434  241.081    229.109  -135.1746  456.512  367.756    264.884  21.637  9.6383  25.825  8.3254  -4.188238      12.73618  
1 1 1 3   76  15 o 77.684  4.6351  3322.58    388.216  4083.09    631.983  2861.69    491.982  85.339  6.8963  71.528  6.4188  13.81163       9.421213  
1 1 1 3   76  16 o 33.844  8.9771  677.719    334.468  0.0000     0.0000   677.719    334.468  ?       ?       33.844  8.9771  0.000000       8.977098  
1 1 1 3   76  17 o 47.701  5.4429  1275.05    276.176  0.0000     0.0000   1275.05    276.176  ?       ?       47.701  5.4429  0.000000       5.442945  
1 1 1 3   76  18 o 80.093  3.2655  3505.48    283.282  3342.13    632.544  3546.47    316.831  76.295  7.7628  80.473  3.6350  -4.178215      8.571695  
1 1 1 3   76  19 o 49.045  4.8246  1345.53    252.974  822.730    528.879  1500.63    288.065  36.336  11.769  51.684  5.2173  -15.34823      12.87387  
1 1 1 3   76  20 o 52.413  4.1442  1530.09    233.344  1285.40    540.895  1586.05    258.651  44.375  11.241  53.227  4.5296  -8.852837      12.11946  
1 1 1 3   76  21 o 11.609  2.4767  76.475     30.193   -321.8908  424.701  78.499     30.269   18.109  8.5057  11.768  2.4543  6.341111       8.852737  
1 1 1 3   76  22 o 3.9237  1.9451  -73.9114   31.230   89.213     427.796  -74.7854   31.313   22.311  9.6483  3.9166  1.9427  18.39427       9.841923  
1 1 1 3   76  23 o 18.021  7.7382  45.058     271.378  0.0000     0.0000   45.058     271.378  ?       ?       18.021  7.7382  0.000000       7.738180  
1 1 1 3   76  24 o 62.942  5.6523  2315.68    381.228  0.0000     0.0000   2315.68    381.228  ?       ?       62.942  5.6523  0.000000       5.652342  
1 1 1 3   76  25 o 18.601  7.9332  82.024     281.786  0.0000     0.0000   82.024     281.786  ?       ?       18.601  7.9332  0.000000       7.933153  
1 1 1 3   77  0  o 80.231  2.8224  3493.06    245.257  3323.63    350.392  3655.81    343.406  78.058  4.1595  82.005  3.8663  -3.947090      5.678864  
1 1 1 3   77  1  o 222.225 4.2034  26866.30   1011.72  26396.46   1432.78  27333.54   1428.82  219.749 6.0198  223.657 5.8983  -3.908020      8.427783  
1 1 1 3   77  2  o 180.436 3.5972  17691.46   702.996  18636.69   997.724  16759.51   990.687  184.905 4.9818  175.291 5.2180  9.614624       7.214344  
1 1 1 3   77  3  o 52.631  3.0903  1509.12    175.388  1465.27    250.962  1550.99    245.209  51.678  4.5293  53.214  4.2909  -1.535416      6.239154  
1 1 1 3   77  4  o 135.120 3.1056  9914.02    454.504  10676.57   646.885  9170.60    638.723  140.053 4.2645  129.756 4.5448  10.29739       6.232248  
1 1 1 3   77  5  o 80.298  2.8210  3499.85    245.345  3651.82    348.470  3350.47    345.490  81.934  3.9267  78.361  4.0848  3.572716       5.666096  
1 1 1 3   77  6  o 86.667  2.8514  4077.69    267.663  4219.61    390.976  3952.51    367.207  88.048  4.0998  85.228  3.9780  2.819679       5.712483  
1 1 1 3   77  7  o 183.186 3.6801  18251.63   730.170  18808.92   1036.48  17702.58   1028.79  185.576 5.1567  179.999 5.2770  5.576324       7.378212  
1 1 1 3   77  8  o 231.028 4.3118  29088.97   1078.93  30049.27   1530.09  28139.27   1521.62  234.100 6.0346  226.459 6.2036  7.641434       8.654547  
1 1 1 3   77  9  o 141.783 3.2198  10928.68   494.446  11037.43   705.751  10823.85   692.929  142.206 4.5821  140.833 4.5427  1.373199       6.452271  
1 1 1 3   77  10 o 93.834  2.9857  4785.33    303.442  4983.67    453.819  4624.96    408.079  95.563  4.3845  92.105  4.0906  3.457870       5.996442  
1 1 1 3   77  11 o 43.792  4.2618  1056.34    199.581  1322.13    328.770  901.227    251.153  48.587  6.4034  40.071  5.9690  8.516407       8.753999  
1 1 1 3   77  12 o 101.191 3.0839  5570.07    337.992  5510.47    496.310  5621.61    461.565  100.382 4.5648  101.465 4.2000  -1.082848      6.203029  
1 1 1 3   77  13 o 73.556  3.2195  2945.93    256.492  2633.85    389.110  3185.73    341.085  69.055  5.2416  76.247  4.1458  -7.191696      6.682928  
1 1 1 3   77  14 o 85.442  3.1229  3976.02    288.998  4234.21    435.897  3773.51    386.039  87.766  4.6015  82.916  4.3134  4.849747       6.307124  
1 1 1 3   77  15 o 60.682  5.2920  2044.47    344.337  2405.92    650.263  1903.62    405.921  64.181  9.6532  58.154  6.5591  6.026848       11.67072  
1 1 1 3   77  16 o 33.818  10.969  667.670    459.257  0.0000     0.0000   667.670    459.257  ?       ?       33.818  10.969  0.000000       10.96875  
1 1 1 3   77  17 o 43.198  6.8492  1070.08    309.764  0.0000     0.0000   1070.08    309.764  ?       ?       43.198  6.8492  0.000000       6.849174  
1 1 1 3   77  18 o 19.889  7.9492  130.566    258.930  0.0000     0.0000   130.566    258.930  ?       ?       19.889  7.9492  0.000000       7.949244  
1 1 1 3   77  19 o 18.467  7.6658  73.669     252.087  0.0000     0.0000   73.669     252.087  ?       ?       18.467  7.6658  0.000000       7.665842  
1 1 1 3   77  20 o 59.375  2.7336  1929.88    175.798  1602.86    570.755  1964.16    184.781  49.597  10.920  59.872  2.8495  -10.27554      11.28612  
1 1 1 3   77  21 o 42.420  1.9416  980.572    89.205   222.027    520.008  1003.57    90.548   25.674  10.856  42.914  1.9481  -17.23966      11.02971  
1 1 1 3   77  22 o 45.964  5.1325  1212.39    251.150  0.0000     0.0000   1212.39    251.150  ?       ?       45.964  5.1325  0.000000       5.132505  
1 1 1 3   77  23 o 21.366  8.2208  230.121    268.057  0.0000     0.0000   230.121    268.057  ?       ?       21.366  8.2208  0.000000       8.220757  
1 1 1 3   77  24 o 20.581  8.4423  168.809    300.900  0.0000     0.0000   168.809    300.900  ?       ?       20.581  8.4423  0.000000       8.442255  
1 1 1 3   77  25 o 23.202  8.6683  315.286    292.949  0.0000     0.0000   315.286    292.949  ?       ?       23.202  8.6683  0.000000       8.668286  
1 1 1 3   78  0  o 82.956  2.7443  3734.53    246.573  3940.65    352.787  3537.68    344.764  85.131  3.8261  80.651  3.9468  4.480522       5.496915  
1 1 1 3   78  1  o 65.903  2.9230  2357.66    208.641  2397.29    289.255  2314.68    301.234  66.260  4.0499  65.070  4.2984  1.190117       5.905744  
1 1 1 3   78  2  f 37.500  3.7896  772.338    151.806  883.503    225.932  680.846    204.967  39.880  5.3669  34.875  5.6171  5.005516       7.768853  
1 1 1 3   78  3  o 70.948  2.8888  2732.47    221.990  2421.43    321.945  3014.39    306.505  66.526  4.4945  74.355  3.8188  -7.828957      5.897741  
1 1 1 3   78  4  o 28.680  4.9188  461.037    147.293  474.687    210.646  447.977    206.039  28.840  6.8460  28.019  6.8474  0.8209667      9.682706  
1 1 1 3   78  5  o 61.527  3.0078  2055.77    200.441  2207.48    292.313  1921.14    275.378  63.527  4.2732  59.237  4.3219  4.290165       6.077772  
1 1 1 3   78  6  o 72.222  2.8953  2832.40    226.486  3007.85    335.614  2685.69    306.906  74.199  4.1933  70.120  4.0584  4.079002       5.835582  
1 1 1 3   78  7  o 32.563  4.5027  588.971    154.558  458.992    231.329  693.779    207.727  28.333  7.4421  35.175  5.6432  -6.841711      9.339768  
1 1 1 3   78  8  o 122.294 2.9860  8126.12    395.511  8865.59    569.334  7436.40    549.850  127.548 4.1212  116.774 4.3474  10.77342       5.990320  
1 1 1 3   78  9  o 194.166 3.8408  20534.99   807.736  20530.18   1146.05  20539.74   1138.61  193.572 5.4663  193.632 5.4291  -0.6028748E-01 7.704237  
1 1 1 3   78  10 o 121.499 3.1586  8027.85    415.655  7884.53    596.194  8163.39    579.799  120.134 4.5820  122.287 4.3775  -2.152496      6.336957  
1 1 1 3   78  11 o 95.353  3.0380  4944.46    313.757  5103.46    462.074  4808.44    427.391  96.651  4.4140  93.854  4.2044  2.797180       6.095928  
1 1 1 3   78  12 o 104.060 3.1175  5892.76    351.365  5710.97    514.628  6051.50    480.897  102.140 4.6519  105.241 4.2189  -3.101219      6.280035  
1 1 1 3   78  13 o 39.418  4.8287  864.527    201.843  688.229    313.270  989.663    263.928  34.315  8.4781  41.940  5.9795  -7.624474      10.37464  
1 1 1 3   78  14 o 99.256  3.1409  5367.38    337.666  5195.28    500.468  5511.19    457.487  97.278  4.7499  100.339 4.2096  -3.060219      6.346862  
1 1 1 3   78  15 o 62.150  4.0229  2123.38    269.351  2126.73    422.967  2121.08    349.344  61.497  6.4460  61.791  5.2703  -0.2938347     8.326221  
1 1 1 3   78  16 o 43.207  5.6235  1050.66    256.928  958.019    504.743  1083.05    298.494  39.616  11.242  43.606  6.5202  -3.990059      12.99582  
1 1 1 3   78  17 o 85.262  4.4835  4013.20    412.591  0.0000     0.0000   4013.20    412.591  ?       ?       85.262  4.4835  0.000000       4.483541  
1 1 1 3   78  18 o 60.123  5.1353  2022.24    331.204  0.0000     0.0000   2022.24    331.204  ?       ?       60.123  5.1353  0.000000       5.135333  
1 1 1 3   78  19 f 52.142  6.0172  1556.75    333.585  0.0000     0.0000   1556.75    333.585  ?       ?       52.142  6.0172  0.000000       6.017238  
1 1 1 3   78  20 o 53.927  5.9940  1679.15    344.178  0.0000     0.0000   1679.15    344.178  ?       ?       53.927  5.9940  0.000000       5.993956  
1 1 1 3   78  21 o 83.519  4.7206  3931.19    425.278  0.0000     0.0000   3931.19    425.278  ?       ?       83.519  4.7206  0.000000       4.720646  
1 1 1 3   78  22 o 56.248  4.7459  1797.60    286.431  0.0000     0.0000   1797.60    286.431  ?       ?       56.248  4.7459  0.000000       4.745894  
1 1 1 3   78  23 o 47.084  5.8930  1305.18    293.940  0.0000     0.0000   1305.18    293.940  ?       ?       47.084  5.8930  0.000000       5.893015  
1 1 1 3   78  24 o 18.526  7.7400  104.523    259.350  0.0000     0.0000   104.523    259.350  ?       ?       18.526  7.7400  0.000000       7.740026  
1 1 1 3   78  25 o 44.381  7.6175  1238.81    352.979  0.0000     0.0000   1238.81    352.979  ?       ?       44.381  7.6175  0.000000       7.617492  
1 1 1 3   79  0  o 125.593 3.0533  8565.36    415.345  8423.99    585.060  8709.01    589.741  124.381 4.3429  126.473 4.3052  -2.092575      6.115160  
1 1 1 3   79  1  o 148.856 3.2648  12037.10   526.366  11779.56   745.285  12293.41   743.506  147.014 4.6805  150.209 4.5700  -3.194611      6.541595  
1 1 1 3   79  2  o 133.363 3.0894  9659.21    446.251  9939.82    636.068  9387.21    626.235  135.100 4.3469  131.281 4.4042  3.818863       6.188056  
1 1 1 3   79  3  o 51.558  3.1244  1449.07    173.650  1394.41    248.363  1501.34    242.884  50.375  4.6028  52.328  4.3241  -1.953247      6.315399  
1 1 1 3   79  4  o 158.790 3.3897  13704.19   582.985  13635.90   828.301  13771.22   820.683  158.098 4.8372  158.897 4.7686  -0.7989349     6.792471  
1 1 1 3   79  5  o 177.057 3.6011  17049.53   690.594  17517.69   980.531  16588.72   972.809  179.104 5.0546  174.262 5.1541  4.842453       7.218993  
1 1 1 3   79  6  o 129.697 3.0915  9139.82    434.286  9113.08    620.928  9165.43    607.635  129.282 4.4344  129.674 4.3263  -0.3919067     6.195214  
1 1 1 3   79  7  o 112.637 2.9654  6893.01    361.776  7284.65    518.246  6520.75    505.258  115.616 4.1386  109.364 4.2655  6.251183       5.943223  
1 1 1 3   79  8  o 45.140  3.4525  1114.99    167.517  1227.47    258.009  1033.01    220.255  47.097  5.1414  43.226  4.7847  3.870613       7.023374  
1 1 1 3   79  9  o 52.876  3.3569  1527.16    191.255  1374.24    304.514  1626.78    245.778  49.717  5.7617  54.452  4.1998  -4.734959      7.129915  
1 1 1 3   79  10 o 96.192  3.0938  5032.08    322.334  5220.96    467.681  4861.17    444.873  97.768  4.4166  94.350  4.3533  3.417374       6.201408  
1 1 1 3   79  11 o 122.006 3.1181  8099.21    412.040  7811.79    583.712  8384.68    581.718  119.517 4.5092  123.867 4.3360  -4.350403      6.255665  
1 1 1 3   79  12 o 32.115  5.6052  583.537    187.880  317.405    309.483  738.862    236.433  25.245  8.9881  36.071  6.2798  -10.82666      10.96454  
1 1 1 3   79  13 o 32.945  5.3803  612.385    185.356  770.344    307.483  522.220    232.311  36.376  8.0201  30.018  7.2310  6.357634       10.79865  
1 1 1 3   79  14 o 98.173  3.3347  5256.83    354.586  4620.66    524.951  5790.63    480.864  91.393  5.3263  102.790 4.3192  -11.39738      6.857424  
1 1 1 3   79  15 o 34.723  6.0063  687.201    217.710  526.467    365.838  775.337    270.901  30.336  9.7846  36.626  7.0850  -6.290482      12.08043  
1 1 1 3   79  16 o 105.178 3.7238  6054.52    424.207  6412.55    774.909  5901.31    506.907  106.788 6.7343  103.582 4.5183  3.205612       8.109563  
1 1 1 3   79  17 o 67.480  3.4964  2499.50    254.667  2195.73    585.151  2570.49    282.860  60.908  9.1531  68.342  3.8369  -7.433609      9.924718  
1 1 1 3   79  18 o 47.235  2.4172  1219.23    123.251  984.929    526.353  1232.82    126.775  39.189  11.590  47.488  2.4733  -8.298561      11.85077  
1 1 1 3   79  19 o 82.713  5.0133  3847.27    447.001  0.0000     0.0000   3847.27    447.001  ?       ?       82.713  5.0133  0.000000       5.013269  
1 1 1 3   79  20 o 89.435  4.7549  4497.65    458.940  0.0000     0.0000   4497.65    458.940  ?       ?       89.435  4.7549  0.000000       4.754915  
1 1 1 3   79  21 o 102.657 4.5391  5914.05    504.698  0.0000     0.0000   5914.05    504.698  ?       ?       102.657 4.5391  0.000000       4.539133  
1 1 1 3   79  22 o 28.894  8.0439  527.493    261.007  0.0000     0.0000   527.493    261.007  ?       ?       28.894  8.0439  0.000000       8.043944  
1 1 1 3   79  23 o 20.008  8.1163  160.986    274.306  0.0000     0.0000   160.986    274.306  ?       ?       20.008  8.1163  0.000000       8.116316  
1 1 1 3   79  24 o 40.736  7.5452  1040.08    320.647  0.0000     0.0000   1040.08    320.647  ?       ?       40.736  7.5452  0.000000       7.545214  
1 1 1 3   80  0  o 106.285 2.8575  6133.17    328.947  6055.51    468.025  6208.97    462.428  105.469 4.0971  106.810 3.9972  -1.341423      5.723991  
1 1 1 3   80  1  o 147.157 3.2571  11766.40   519.136  11731.32   734.665  11801.39   733.674  146.691 4.6240  147.133 4.6039  -0.4416809     6.525088  
1 1 1 3   80  2  o 162.137 3.4219  14289.49   600.929  14621.98   854.641  13964.37   845.123  163.714 4.8198  159.976 4.8775  3.737900       6.857137  
1 1 1 3   80  3  o 112.919 2.9457  6924.70    360.268  6688.29    511.850  7156.82    507.173  110.803 4.2650  114.647 4.0844  -3.843384      5.905269  
1 1 1 3   80  4  o 56.526  3.0110  1740.55    183.683  1927.28    262.210  1560.63    257.391  59.348  4.1044  53.314  4.4994  6.033443       6.090238  
1 1 1 3   80  5  o 78.767  2.8028  3369.29    239.112  3216.67    343.707  3512.43    332.864  76.725  4.1514  80.327  3.8259  -3.601364      5.645551  
1 1 1 3   80  6  o 24.054  5.3686  328.991    136.324  538.284    209.831  176.128    179.327  30.724  6.5079  19.225  6.8421  11.49932       9.442859  
1 1 1 3   80  7  o 92.262  2.8948  4624.77    289.272  4511.93    416.608  4729.83    401.970  90.964  4.2285  93.170  3.9833  -2.206505      5.809243  
1 1 1 3   80  8  o 91.854  2.9184  4585.00    290.345  4666.13    425.736  4514.45    396.988  92.484  4.2501  91.002  4.0277  1.481766       5.855422  
1 1 1 3   80  9  o 57.575  3.3771  1810.18    209.677  1965.45    313.819  1684.97    281.814  59.741  4.8928  55.312  4.7501  4.428764       6.819358  
1 1 1 3   80  10 o 76.762  3.1451  3205.90    261.486  3530.06    393.180  2948.82    350.143  80.222  4.5437  73.322  4.4298  6.899773       6.345759  
1 1 1 3   80  11 o 80.793  3.1099  3552.50    272.141  3876.45    409.929  3297.22    363.900  84.049  4.5196  77.535  4.3508  6.513878       6.273501  
1 1 1 3   80  12 o 91.879  3.1425  4597.04    312.725  4568.65    463.901  4620.69    423.390  91.163  4.7144  91.904  4.2534  -0.7409668     6.349581  
1 1 1 3   80  13 o 89.883  3.3141  4404.55    322.633  4106.79    487.678  4636.30    430.244  86.208  5.2479  92.004  4.3176  -5.795441      6.795726  
1 1 1 3   80  14 o 59.105  3.9182  1919.67    249.409  1730.69    397.901  2041.97    320.096  55.301  6.7855  60.722  4.9090  -5.421581      8.375020  
1 1 1 3   80  15 f 44.547  5.0096  1107.16    237.517  1116.34    366.966  1100.55    311.587  43.789  8.0334  43.898  6.7712  -0.1087990     10.50643  
1 1 1 3   80  16 o 25.932  8.3341  380.602    265.588  629.365    590.821  317.604    297.322  33.855  12.370  24.778  8.8110  9.076849       15.18725  
1 1 1 3   80  17 o 76.151  3.4980  3178.10    288.510  2883.71    623.128  3258.43    325.501  70.217  8.3576  76.895  3.9213  -6.678329      9.231802  
1 1 1 3   80  18 o 41.428  5.0627  971.475    222.440  828.265    514.017  1004.47    246.740  35.953  11.598  41.951  5.5678  -5.997921      12.86553  
1 1 1 3   80  19 o 58.028  4.0256  1875.92    251.448  1614.40    560.442  1941.83    281.356  49.853  10.699  58.866  4.4457  -9.012733      11.58633  
1 1 1 3   80  20 o 40.201  5.4157  930.706    229.811  561.534    519.041  1020.72    256.303  30.487  11.508  41.957  5.7947  -11.46970      12.88459  
1 1 1 3   80  21 o 44.005  7.2624  1169.89    334.065  0.0000     0.0000   1169.89    334.065  ?       ?       44.005  7.2624  0.000000       7.262431  
1 1 1 3   80  22 o 33.112  8.4231  703.240    302.803  0.0000     0.0000   703.240    302.803  ?       ?       33.112  8.4231  0.000000       8.423133  
1 1 1 3   80  23 o 24.767  8.5677  380.029    279.838  0.0000     0.0000   380.029    279.838  ?       ?       24.767  8.5677  0.000000       8.567745  
1 1 1 3   80  24 o 26.581  8.9519  457.752    305.113  0.0000     0.0000   457.752    305.113  ?       ?       26.581  8.9519  0.000000       8.951920  
1 1 1 3   81  0  o 35.099  3.8485  678.366    143.901  728.992    200.758  624.868    206.373  36.152  5.2831  33.288  5.9419  2.863415       7.950881  
1 1 1 3   81  1  o 128.502 3.0669  8970.86    426.859  9114.08    607.251  8830.96    600.150  129.320 4.3354  127.292 4.3530  2.027702       6.143666  
1 1 1 3   81  2  o 107.296 2.9026  6252.67    337.317  6463.31    480.078  6047.27    474.056  108.937 4.0688  105.360 4.1542  3.577057       5.814808  
1 1 1 3   81  3  o 52.746  3.2570  1518.02    185.160  1555.32    266.012  1482.97    257.888  53.188  4.6647  51.932  4.6336  1.256302       6.574903  
1 1 1 3   81  4  o 47.348  3.3245  1224.86    169.409  1221.75    249.231  1227.54    230.972  47.033  4.9677  47.215  4.5739  -0.1822014     6.752657  
1 1 1 3   81  5  o 37.628  2.0308  770.177    82.458   699.486    89.803   1150.04    208.173  35.828  2.3268  45.736  4.2511  -9.907639      4.846188  
1 1 1 3   81  6  o 56.741  3.0746  1755.00    188.249  1584.49    278.675  1898.10    255.306  53.635  4.8496  58.883  4.0273  -5.248409      6.303791  
1 1 1 3   81  7  o 88.543  2.8910  4260.11    277.247  4155.28    401.876  4355.31    382.980  87.275  4.2514  89.395  3.9554  -2.119835      5.806874  
1 1 1 3   81  8  o 56.961  3.2768  1770.95    201.310  1730.09    306.815  1801.84    266.760  55.982  5.1167  57.292  4.3309  -1.309826      6.703491  
1 1 1 3   81  9  f 104.252 3.0425  5911.14    343.549  5617.59    490.621  6193.54    481.217  101.380 4.4681  106.513 4.1713  -5.133057      6.112557  
1 1 1 3   81  10 o 143.964 3.3223  11285.85   518.045  11338.69   740.395  11235.17   725.098  143.889 4.7508  143.257 4.6732  0.6324615      6.663956  
1 1 1 3   81  11 o 164.630 3.7189  14788.71   663.121  14744.90   909.457  14838.45   968.958  163.834 5.1252  164.202 5.4483  -0.3677826     7.480028  
1 1 1 3   81  12 o 20.168  7.2498  194.831    201.812  64.789     313.464  286.889    263.742  20.394  8.5139  23.727  8.3115  -3.333252      11.89818  
1 1 1 3   81  13 o 63.631  3.6697  2219.03    251.840  2172.51    406.323  2248.05    320.915  62.314  6.0984  63.814  4.6756  -1.500065      7.684492  
1 1 1 3   81  14 o 52.724  4.3405  1535.11    245.669  1204.25    386.768  1758.89    318.074  45.514  8.1448  56.211  5.2866  -10.69636      9.710036  
1 1 1 3   81  15 o 41.713  5.0768  974.158    224.639  689.087    364.350  1148.97    285.322  33.972  9.5203  45.083  5.9916  -11.11124      11.24876  
1 1 1 3   81  16 o 28.876  7.0332  489.255    217.930  506.484    364.408  479.663    271.914  29.636  9.7785  28.540  8.2990  1.096085       12.82548  
1 1 1 3   81  17 o 87.947  3.2615  4237.78    310.675  3722.79    687.240  4370.06    348.296  79.787  8.0632  89.195  3.6053  -9.407761      8.832541  
1 1 1 3   81  18 o 99.458  3.2320  5433.36    348.159  4824.90    751.876  5599.44    392.809  90.508  7.7445  100.798 3.5980  -10.28951      8.539458  
1 1 1 3   81  19 o 69.918  3.7464  2711.25    282.675  2143.98    609.312  2866.82    319.091  58.131  10.040  71.724  4.1249  -13.59259      10.85478  
1 1 1 3   81  20 o 60.197  4.1554  2028.20    269.270  1174.33    571.934  2271.37    305.213  40.924  12.075  63.564  4.4615  -22.63982      12.87292  
1 1 1 3   81  21 o 16.359  7.1025  6.3876     233.659  0.0000     0.0000   6.3876     233.659  ?       ?       16.359  7.1025  0.000000       7.102491  
1 1 1 3   81  22 o 24.176  8.7730  343.266    296.435  0.0000     0.0000   343.266    296.435  ?       ?       24.176  8.7730  0.000000       8.772967  
1 1 1 3   81  23 o 27.665  8.2447  493.010    265.597  0.0000     0.0000   493.010    265.597  ?       ?       27.665  8.2447  0.000000       8.244672  
1 1 1 3   82  0  o 16.795  5.6142  145.634    119.996  135.811    173.255  154.690    166.355  17.917  6.6716  18.270  6.5807  -0.3533020     9.370992  
1 1 1 3   82  1  o 87.597  2.8155  4167.33    267.125  4025.21    377.303  4310.17    378.244  85.960  4.0525  88.967  3.9253  -3.006813      5.641883  
1 1 1 3   82  2  o 10.221  4.6835  -82.8634   117.168  -261.7425  191.699  23.813     148.038  11.442  5.4721  14.067  5.8599  -2.625127      8.017635  
1 1 1 3   82  3  o 152.630 3.3150  12667.21   548.012  12869.68   779.199  12469.03   770.881  153.536 4.6856  151.121 4.7097  2.415054       6.643504  
1 1 1 3   82  4  o 133.301 3.1144  9658.22    449.656  9611.77    642.658  9702.77    629.370  132.723 4.4706  133.375 4.3567  -0.6519012     6.242354  
1 1 1 3   82  5  o 95.988  2.8331  5005.37    294.544  4930.18    421.775  5076.95    411.512  95.102  4.0947  96.531  3.9359  -1.429115      5.679602  
1 1 1 3   82  6  o 79.998  2.8936  3477.64    250.721  3593.07    360.519  3369.53    348.913  81.071  4.1193  78.502  4.1180  2.568695       5.824620  
1 1 1 3   82  7  o 43.536  3.7689  1040.33    175.964  858.174    276.146  1164.86    228.322  38.886  6.8044  45.935  4.6534  -7.049576      8.243436  
1 1 1 3   82  8  o 24.235  6.3843  335.686    169.922  173.348    247.333  480.801    233.845  20.797  7.9215  28.891  7.4309  -8.093254      10.86133  
1 1 1 3   82  9  o 30.511  5.6397  527.610    179.508  197.545    260.296  826.949    247.884  21.632  8.1534  38.258  6.1938  -16.62629      10.23918  
1 1 1 3   82  10 o 72.829  3.3376  2889.56    263.273  2840.71    388.857  2930.90    357.736  71.772  5.0341  73.028  4.5453  -1.255760      6.782451  
1 1 1 3   82  11 o 42.415  5.0293  1001.56    226.546  924.324    355.006  1054.62    294.248  39.805  8.4931  43.168  6.4946  -3.362553      10.69169  
1 1 1 3   82  12 o 60.955  3.7030  2036.68    243.318  2089.55    379.893  1999.90    316.834  61.220  5.7983  60.127  4.9079  1.092823       7.596595  
1 1 1 3   82  13 o ?       ?       -163.2972  24.670   16.337     332.098  -164.2940  24.738   20.093  8.5920  ?       ?       0.000000       8.592044  
1 1 1 3   82  14 o 13.756  6.1483  -71.9364   187.449  -267.5075  334.408  17.666     226.352  16.611  7.7179  16.820  7.1402  -0.2092762     10.51418  
1 1 1 3   82  15 f 48.661  4.7391  1317.87    246.605  1228.31    380.912  1382.49    323.567  45.874  7.9547  49.400  6.1828  -3.526199      10.07489  
1 1 1 3   82  16 o 52.504  4.6386  1535.67    261.076  1504.17    412.678  1556.69    337.113  50.741  7.7553  52.365  6.0556  -1.624062      9.839457  
1 1 1 3   82  17 o 93.619  3.1994  4805.98    324.412  4640.67    716.367  4848.62    363.860  89.313  7.4741  93.887  3.5781  -4.574005      8.286473  
1 1 1 3   82  18 o 114.080 3.2884  7158.59    406.320  6243.02    857.036  7424.04    461.479  102.756 7.7577  115.954 3.6745  -13.19789      8.583965  
1 1 1 3   82  19 o 51.539  4.4821  1493.85    247.708  1446.24    546.181  1506.18    277.935  46.725  10.979  51.502  5.0474  -4.776546      12.08322  
1 1 1 3   82  20 f 18.315  7.3589  121.095    223.177  246.086    489.354  88.270     250.775  25.405  10.624  18.377  7.6386  7.028217       13.08540  
1 1 1 3   82  21 o 18.720  8.0830  41.547     299.316  0.0000     0.0000   41.547     299.316  ?       ?       18.720  8.0830  0.000000       8.082961  
1 1 1 3   82  22 o 39.723  7.2535  971.351    300.571  0.0000     0.0000   971.351    300.571  ?       ?       39.723  7.2535  0.000000       7.253464  
1 1 1 3   82  23 f 17.851  7.8220  13.308     289.092  0.0000     0.0000   13.308     289.092  ?       ?       17.851  7.8220  0.000000       7.822036  
1 1 1 3   83  0  o 186.824 3.7353  19000.48   755.834  18317.54   1069.54  19681.82   1068.28  182.920 5.3984  189.684 5.1998  -6.763382      7.495372  
1 1 1 3   83  1  o 83.704  2.8261  3805.67    256.213  3992.89    367.124  3627.89    357.739  85.615  3.9591  81.597  4.0478  4.017815       5.662101  
1 1 1 3   83  2  o 57.227  3.0315  1784.70    187.234  1740.56    267.576  1827.05    262.086  56.313  4.4226  57.737  4.2203  -1.423874      6.113087  
1 1 1 3   83  3  o 26.699  1.5426  387.673    44.417   385.404    45.676   427.123    190.479  26.616  1.5917  27.322  6.5263  -0.7054558     6.717601  
1 1 1 3   83  4  o 64.058  2.9154  2229.81    202.275  2354.88    288.553  2108.97    283.631  65.600  4.0814  62.039  4.2466  3.561085       5.889957  
1 1 1 3   83  5  o 108.845 2.9470  6439.03    347.427  6523.29    497.593  6358.88    485.308  109.353 4.2012  107.976 4.1497  1.377327       5.905118  
1 1 1 3   83  6  f 154.300 3.3339  12956.21   557.173  13429.80   795.632  12500.46   780.510  156.726 4.6871  151.181 4.7666  5.544525       6.685000  
1 1 1 3   83  7  o 126.112 3.0856  8650.69    421.471  8499.98    600.841  8796.69    591.372  124.715 4.4481  126.910 4.3022  -2.195000      6.188262  
1 1 1 3   83  8  o 138.543 3.2367  10447.90   485.688  10126.41   690.559  10762.61   683.233  136.015 4.6875  140.282 4.4967  -4.266983      6.495655  
1 1 1 3   83  9  o 129.134 3.1320  9077.24    438.059  8910.92    627.079  9235.76    612.206  127.586 4.5379  129.947 4.3497  -2.361252      6.285872  
1 1 1 3   83  10 o 39.134  4.7396  851.558    196.799  798.108    323.727  882.890    247.857  37.003  8.2838  39.570  5.9688  -2.566994      10.21016  
1 1 1 3   83  11 o 47.754  4.2512  1258.02    217.582  1339.98    346.149  1204.48    279.760  48.651  6.7509  46.382  5.6881  2.269344       8.827742  
1 1 1 3   83  12 o 34.270  6.1066  669.595    218.353  789.875    337.690  583.172    286.243  36.617  8.6519  31.544  8.2750  5.073030       11.97211  
1 1 1 3   83  13 o 70.478  2.6924  2703.46    205.522  2602.34    426.593  2734.03    234.535  68.294  5.8228  70.824  3.0574  -2.530617      6.576694  
1 1 1 3   83  14 f 31.645  6.6791  580.655    221.731  257.911    360.647  776.789    281.145  24.691  9.5254  36.518  7.3624  -11.82691      12.03900  
1 1 1 3   83  15 o 58.703  4.0298  1902.13    254.669  1909.46    405.310  1897.34    327.360  57.929  6.5763  58.252  5.2448  -0.3223610     8.411654  
1 1 1 3   83  16 o 28.460  7.1213  480.491    218.984  583.112    363.037  421.796    274.556  31.041  9.7165  26.818  8.4583  4.222858       12.88230  
1 1 1 3   83  17 o 51.827  4.9765  1515.65    275.915  2015.23    551.945  1349.22    318.577  57.328  9.2003  48.326  6.2317  9.002632       11.11209  
1 1 1 3   83  18 o 41.883  5.3231  1003.42    236.022  1266.73    530.125  938.322    263.588  43.712  11.159  40.076  6.2788  3.635830       12.80417  
1 1 1 3   83  19 o 15.885  6.8507  8.7083     214.493  -255.6615  491.472  70.911     238.394  20.225  9.3830  17.769  7.4219  2.455755       11.96353  
1 1 1 3   83  20 o 41.585  5.9487  1012.34    260.301  0.0000     0.0000   1012.34    260.301  ?       ?       41.585  5.9487  0.000000       5.948668  
1 1 1 3   83  21 o 21.594  8.9053  174.262    337.039  0.0000     0.0000   174.262    337.039  ?       ?       21.594  8.9053  0.000000       8.905273  
1 1 1 3   83  22 o 19.398  8.4082  54.486     326.405  0.0000     0.0000   54.486     326.405  ?       ?       19.398  8.4082  0.000000       8.408219  
1 1 1 3   84  0  o 30.145  4.4322  506.271    140.391  525.664    195.680  485.701    201.533  30.400  6.1542  29.142  6.5449  1.257347       8.983871  
1 1 1 3   84  1  o 79.428  2.7650  3426.96    237.874  3589.44    340.842  3272.68    332.136  81.171  3.8769  77.395  3.9756  3.776039       5.552985  
1 1 1 3   84  2  o 49.726  3.3190  1350.95    177.729  1381.69    262.545  1324.95    241.468  50.036  4.9077  49.045  4.5994  0.9913559      6.726068  
1 1 1 3   84  3  o 56.408  3.0382  1734.68    184.936  1701.03    264.749  1766.75    258.444  55.647  4.4293  56.753  4.2350  -1.105286      6.128068  
1 1 1 3   84  4  o 26.014  5.0576  382.877    137.371  162.292    194.468  602.575    194.077  19.191  7.0837  32.677  5.6903  -13.48608      9.086109  
1 1 1 3   84  5  o 13.065  5.5297  7.0026     135.103  4.6574     204.567  8.8169     179.925  15.905  6.7708  15.032  6.3728  0.8728418      9.298180  
1 1 1 3   84  6  o 110.475 2.9958  6636.96    358.458  7088.98    522.487  6235.01    492.697  113.939 4.2338  106.851 4.2573  7.087898       6.004117  
1 1 1 3   84  7  o 136.831 3.2377  10191.49   479.836  9867.00    682.641  10508.39   674.611  134.256 4.6945  138.613 4.4934  -4.357147      6.498405  
1 1 1 3   84  8  o 77.617  3.0871  3278.71    259.528  3105.45    379.329  3431.20    355.851  75.157  4.6832  79.134  4.1665  -3.977509      6.268306  
1 1 1 3   84  9  o 100.775 2.9105  5525.50    317.685  5520.89    438.874  5530.56    460.450  100.519 4.0311  100.563 4.2274  -0.4353333E-01 5.841272  
1 1 1 3   84  10 o 37.464  5.3273  787.483    210.079  1120.25    325.258  549.302    275.177  44.349  7.0039  30.703  8.1420  13.64587       10.73997  
1 1 1 3   84  11 o 72.551  3.5010  2872.73    275.104  2875.66    410.480  2870.34    370.671  72.046  5.2975  72.131  4.7715  -0.8547974E-01 7.129575  
1 1 1 3   84  12 o 95.202  3.2451  4942.87    334.610  4787.48    499.133  5069.71    450.948  93.131  4.9662  96.153  4.3300  -3.021858      6.588793  
1 1 1 3   84  13 f 67.405  3.6272  2491.43    263.832  2338.35    425.490  2587.05    336.284  64.540  6.1616  68.446  4.5623  -3.905449      7.666849  
1 1 1 3   84  14 o 63.965  3.7602  2249.72    259.368  2376.00    421.906  2173.00    328.848  64.979  6.0648  62.535  4.8942  2.444107       7.793254  
1 1 1 3   84  15 o 28.825  7.2805  491.861    227.366  592.467    373.054  432.404    286.787  31.401  9.8530  27.242  8.6503  4.158085       13.11138  
1 1 1 3   84  16 o 36.475  6.3289  774.473    240.961  343.651    375.134  1077.08    314.397  25.985  9.7892  42.856  7.0161  -16.87125      12.04386  
1 1 1 3   84  17 o 17.964  7.3839  86.672     230.775  497.710    457.989  -53.2068   267.171  29.375  10.865  16.695  7.4087  12.67988       13.15075  
1 1 1 3   84  18 o 48.871  4.3103  1339.45    225.818  1676.48    544.665  1269.50    248.150  51.152  10.189  47.327  4.9125  3.824860       11.31133  
1 1 1 3   84  19 o 33.651  6.8372  680.635    240.698  295.507    519.373  785.977    271.629  26.548  11.010  36.042  7.2101  -9.493673      13.16113  
1 1 1 3   84  20 o 50.084  6.0657  1468.43    322.328  0.0000     0.0000   1468.43    322.328  ?       ?       50.084  6.0657  0.000000       6.065658  
1 1 1 3   84  21 o 59.609  5.4991  2058.05    351.030  0.0000     0.0000   2058.05    351.030  ?       ?       59.609  5.4991  0.000000       5.499066  
1 1 1 3   84  22 o 17.861  7.6947  42.805     270.037  0.0000     0.0000   42.805     270.037  ?       ?       17.861  7.6947  0.000000       7.694736  
1 1 1 3   85  0  o 70.068  2.9189  2668.35    221.519  2549.18    316.440  2782.86    310.204  68.209  4.3054  71.328  4.0318  -3.118774      5.898473  
1 1 1 3   85  1  o 75.317  2.8667  3082.79    233.855  3109.23    335.645  3057.85    326.008  75.388  4.1263  74.776  4.0403  0.6118546      5.774931  
1 1 1 3   85  2  o 128.614 3.0678  8994.60    427.353  9151.35    609.322  8842.84    599.534  129.466 4.3453  127.264 4.3495  2.202011       6.148158  
1 1 1 3   85  3  o 143.075 3.2246  11136.78   499.693  11211.80   709.334  11062.87   704.040  143.225 4.5726  142.272 4.5689  0.9533386      6.463989  
1 1 1 3   85  4  o 42.451  1.6416  977.120    75.478   1014.47    80.625   712.284    214.685  43.252  1.7210  35.564  5.7713  7.688446       6.022434  
1 1 1 3   85  5  o 75.718  2.9647  3117.72    243.139  3229.82    358.462  3022.20    330.891  76.769  4.3288  74.293  4.1284  2.476044       5.981820  
1 1 1 3   85  6  o 98.602  2.9734  5288.26    317.544  5404.14    458.496  5181.44    440.212  99.448  4.2567  97.394  4.1731  2.053711       5.961022  
1 1 1 3   85  7  o 53.044  2.2462  1527.75    129.051  1576.72    144.814  1338.81    284.443  53.872  2.4818  49.057  5.4452  4.814739       5.984087  
1 1 1 3   85  8  o 44.104  4.2034  1072.90    198.362  1128.19    306.007  1032.83    260.506  44.694  6.5128  42.926  5.7474  1.767979       8.686117  
1 1 1 3   85  9  o 102.712 3.0956  5745.26    344.375  6056.19    498.572  5461.56    476.236  105.162 4.3772  99.860  4.4031  5.302605       6.208681  
1 1 1 3   85  10 o 12.348  5.6884  -130.8920  176.006  -246.6181  293.554  -65.9419   219.919  15.522  7.2182  15.187  6.7314  0.3347569      9.869887  
1 1 1 3   85  11 o 63.575  3.7937  2217.01    260.038  2245.95    389.225  2193.67    349.477  63.483  5.7223  62.896  5.1761  0.5871849      7.715961  
1 1 1 3   85  12 o 19.480  7.1109  177.268    195.167  142.144    328.834  196.368    242.496  22.006  8.9005  21.052  7.8824  0.9530754      11.88911  
1 1 1 3   85  13 o 37.886  5.8040  815.066    230.576  1053.21    385.777  682.709    287.599  42.150  8.7371  34.018  7.9488  8.132084       11.81185  
1 1 1 3   85  14 o 40.749  5.1404  934.954    221.825  1374.82    380.789  709.005    272.914  48.652  7.4646  34.679  7.4853  13.97314       10.57121  
1 1 1 3   85  15 o 44.239  4.8313  1099.77    227.729  1550.01    384.908  857.279    282.473  51.659  7.0644  38.190  7.0900  13.46826       10.00870  
1 1 1 3   85  16 o 42.308  5.2865  1019.26    236.960  842.502    387.980  1124.42    299.259  36.550  9.6561  43.957  6.4800  -7.407463      11.62888  
1 1 1 3   85  17 o 30.423  7.4120  560.527    241.988  134.452    447.815  736.256    287.592  23.649  10.041  34.773  7.8251  -11.12412      12.73027  
1 1 1 3   85  18 o 26.113  7.4348  413.868    220.389  649.864    510.529  359.816    244.328  31.962  11.526  24.613  8.0014  7.348223       14.03119  
1 1 1 3   85  19 o 36.465  5.7601  777.104    219.942  443.757    526.502  847.574    242.076  28.514  11.355  37.957  6.0945  -9.443613      12.88733  
1 1 1 3   85  20 o 21.209  8.5554  185.114    302.942  0.0000     0.0000   185.114    302.942  ?       ?       21.209  8.5554  0.000000       8.555354  
1 1 1 3   85  21 o 22.285  8.7815  241.985    311.813  0.0000     0.0000   241.985    311.813  ?       ?       22.285  8.7815  0.000000       8.781466  
1 1 1 3   85  22 o 20.754  8.4951  167.938    303.864  0.0000     0.0000   167.938    303.864  ?       ?       20.754  8.4951  0.000000       8.495060  
1 1 1 3   86  0  o 137.650 3.1711  10307.43   472.780  9931.85    670.705  10678.36   666.537  134.785 4.5943  139.813 4.4016  -5.027756      6.362492  
1 1 1 3   86  1  o 155.284 3.3448  13124.63   562.555  12905.68   796.755  13342.28   794.398  153.577 4.7899  156.184 4.6960  -2.607361      6.707922  
1 1 1 3   86  2  o 175.867 3.6018  16849.77   686.083  16528.56   972.395  17168.18   968.154  173.636 5.1705  177.014 5.0497  -3.377533      7.227300  
1 1 1 3   86  3  o 127.928 3.0819  8902.59    427.019  8718.80    611.842  9077.14    596.253  126.289 4.4731  128.911 4.2704  -2.622513      6.184224  
1 1 1 3   86  4  o 81.222  2.9175  3587.43    256.658  3703.83    375.467  3485.32    351.642  82.236  4.2297  79.798  4.0822  2.438240       5.878344  
1 1 1 3   86  5  o 28.049  5.9974  449.732    176.684  533.716    263.072  380.719    238.474  30.361  7.9178  25.970  7.8289  4.390856       11.13480  
1 1 1 3   86  6  o 82.990  3.0546  3748.05    274.567  3559.35    398.840  3918.04    378.547  80.502  4.5933  84.682  4.1272  -4.180183      6.175148  
1 1 1 3   86  7  o 77.563  3.2648  3276.96    274.272  3236.04    391.478  3316.40    384.377  76.692  4.7361  77.678  4.5890  -0.9866180     6.594659  
1 1 1 3   86  8  o 66.646  3.3963  2427.66    244.344  2509.85    360.666  2357.94    332.196  67.419  4.9743  65.399  4.7215  2.019554       6.858306  
1 1 1 3   86  9  f 67.184  3.5147  2469.46    254.867  2656.72    367.094  2295.19    354.130  69.362  4.9182  64.392  5.1199  4.969727       7.099432  
1 1 1 3   86  10 o 76.728  3.4513  3212.56    286.820  3095.20    413.165  3321.72    398.482  74.806  5.1304  77.617  4.7631  -2.810814      7.000547  
1 1 1 3   86  11 o 139.727 3.3880  10656.93   512.737  10058.16   738.231  11214.98   712.684  135.100 5.0451  142.864 4.6058  -7.763367      6.831250  
1 1 1 3   86  12 o 63.910  2.5592  2223.15    177.150  1992.17    395.197  2281.24    198.176  59.472  6.2276  64.703  2.8278  -5.231377      6.839555  
1 1 1 3   86  13 o 125.697 3.3094  8639.41    450.546  8851.63    670.669  8464.87    608.233  126.511 4.8945  123.900 4.5324  2.611069       6.670744  
1 1 1 3   86  14 o 15.168  6.5490  -6.7690    196.477  332.555    353.848  -158.0187  236.242  25.683  9.5402  14.336  6.5990  11.34719       11.60013  
1 1 1 3   86  15 f 60.745  4.0935  2049.27    267.758  1942.49    421.383  2121.59    346.764  57.865  6.8568  61.320  5.2724  -3.454975      8.649530  
1 1 1 3   86  16 o 29.445  7.4114  523.363    236.193  342.179    375.070  642.432    304.054  25.789  9.7710  32.265  8.5596  -6.476492      12.99003  
1 1 1 3   86  17 o 36.180  6.6003  773.996    249.115  747.132    459.716  785.164    296.407  33.900  10.972  35.880  7.8457  -1.980190      13.48854  
1 1 1 3   86  18 o 17.012  6.9244  87.792     200.462  404.524    467.568  16.461     221.890  27.565  10.786  16.263  6.9906  11.30131       12.85363  
1 1 1 3   86  19 o 19.820  7.5420  188.489    224.068  0.0000     0.0000   188.489    224.068  ?       ?       19.820  7.5420  0.000000       7.542027  
1 1 1 3   86  20 o 19.992  8.3183  124.263    297.807  0.0000     0.0000   124.263    297.807  ?       ?       19.992  8.3183  0.000000       8.318320  
1 1 1 3   86  21 o 26.014  9.1370  418.495    318.837  0.0000     0.0000   418.495    318.837  ?       ?       26.014  9.1370  0.000000       9.136974  
1 1 1 3   87  0  o 43.454  3.4904  1035.12    162.893  1166.99    227.584  896.608    233.250  45.957  4.6355  40.035  5.5265  5.922245       7.213177  
1 1 1 3   87  1  o 39.325  3.5159  849.089    148.173  767.623    215.025  922.753    204.470  36.985  5.5381  40.796  4.7143  -3.810932      7.272896  
1 1 1 3   87  2  o 43.092  3.5509  1018.56    164.254  872.519    235.793  1156.24    228.939  39.442  5.6836  45.729  4.6886  -6.286243      7.367908  
1 1 1 3   87  3  o 78.310  2.9317  3335.32    248.663  3287.12    365.385  3376.91    339.378  77.420  4.3753  78.552  4.0022  -1.132912      5.929663  
1 1 1 3   87  4  o 60.896  3.1642  2023.90    207.983  1808.48    303.076  2215.64    285.937  57.227  4.9380  63.546  4.1777  -6.318882      6.468183  
1 1 1 3   87  5  o 121.278 3.0886  8005.47    405.704  7849.67    582.506  8152.24    565.383  119.758 4.4908  122.105 4.2750  -2.346642      6.200271  
1 1 1 3   87  6  o 93.619  3.1947  4773.25    323.939  4663.43    471.571  4871.39    445.756  92.107  4.7431  94.347  4.3621  -2.240448      6.443994  
1 1 1 3   87  7  o 125.980 3.2239  8646.95    439.901  8369.37    625.114  8919.26    619.156  123.534 4.6720  127.592 4.4803  -4.058022      6.473071  
1 1 1 3   87  8  o 35.201  5.2912  696.759    195.497  506.079    296.420  843.551    260.079  29.586  8.6827  38.498  6.4666  -8.911982      10.82617  
1 1 1 3   87  9  o 49.189  4.2484  1334.69    224.117  1597.38    324.181  1094.19    310.180  53.487  5.6829  43.862  6.7451  9.625004       8.820004  
1 1 1 3   87  10 f 93.635  3.2827  4782.67    332.917  4801.36    478.122  4765.07    463.835  93.335  4.7452  93.139  4.5979  0.1967468      6.607429  
1 1 1 3   87  11 o 129.008 3.3191  9087.63    463.777  8584.69    671.448  9546.48    641.347  124.753 4.9693  131.775 4.4936  -7.021828      6.699684  
1 1 1 3   87  12 o 108.793 3.2750  6468.07    385.907  6399.68    567.047  6527.08    526.695  107.633 4.8641  108.867 4.4668  -1.233971      6.603914  
1 1 1 3   87  13 o 15.629  6.7591  -9.8415    209.963  110.159    353.930  -75.0059   260.814  21.814  9.0716  16.366  7.2881  5.448330       11.63661  
1 1 1 3   87  14 f 17.147  6.9719  82.016     202.947  -122.7661  374.194  167.357    241.562  19.059  8.5891  20.076  7.7815  -1.016979      11.58986  
1 1 1 3   87  15 o 17.715  7.0670  108.543    204.248  -74.7861   359.480  195.939    248.202  19.122  8.5330  20.768  7.9295  -1.646069      11.64854  
1 1 1 3   87  16 o 54.613  4.3115  1667.17    252.959  1415.89    419.705  1810.52    317.005  48.323  8.3192  56.519  5.2380  -8.196457      9.830877  
1 1 1 3   87  17 o 29.566  7.5787  534.100    243.826  217.175    452.938  663.416    289.325  24.724  10.270  32.740  8.1818  -8.016558      13.13101  
1 1 1 3   87  18 o 76.379  3.4165  3222.64    282.631  2361.62    630.425  3439.23    316.187  60.680  9.9362  78.767  3.7062  -18.08683      10.60488  
1 1 1 3   87  19 o 39.348  7.5559  950.272    310.312  0.0000     0.0000   950.272    310.312  ?       ?       39.348  7.5559  0.000000       7.555914  
1 1 1 3   87  20 o 73.920  4.9582  3117.70    394.670  0.0000     0.0000   3117.70    394.670  ?       ?       73.920  4.9582  0.000000       4.958235  
1 1 1 3   87  21 o 30.633  8.6093  606.283    297.509  0.0000     0.0000   606.283    297.509  ?       ?       30.633  8.6093  0.000000       8.609263  
1 1 1 3   88  0  o 83.798  2.8583  3818.61    259.428  3568.11    374.694  4049.27    359.547  80.681  4.3034  86.147  3.8534  -5.465858      5.776476  
1 1 1 3   88  1  o 109.429 2.9224  6513.11    346.369  5980.47    488.881  7049.94    490.803  104.591 4.3156  113.637 3.9877  -9.045662      5.875829  
1 1 1 3   88  2  o 66.530  2.9717  2407.95    214.140  2250.87    321.537  2533.16    287.066  63.945  4.6749  68.015  3.9133  -4.069607      6.096626  
1 1 1 3   88  3  o 67.102  3.1593  2451.28    229.610  2480.75    342.600  2427.25    309.371  67.123  4.7430  66.485  4.3196  0.6376495      6.415207  
1 1 1 3   88  4  o 89.978  2.8095  4403.25    273.799  3999.43    357.941  4972.77    425.078  85.590  3.8611  95.387  4.1144  -9.796455      5.642434  
1 1 1 3   88  5  o 88.427  2.8229  4253.55    270.366  4349.58    361.285  4131.31    407.601  89.269  3.7366  86.884  4.3314  2.385193       5.720396  
1 1 1 3   88  6  o 63.718  3.5327  2221.38    242.850  2515.43    348.998  1945.34    338.142  67.536  4.8024  59.218  5.3291  8.318237       7.173679  
1 1 1 3   88  7  o 55.631  3.9613  1700.14    237.126  1446.67    353.017  1908.53    320.090  50.635  6.5933  58.699  5.0849  -8.064533      8.326287  
1 1 1 3   88  8  o 27.764  6.4315  444.652    189.605  728.254    291.040  235.530    249.918  35.360  7.8080  22.201  8.0554  13.15859       11.21850  
1 1 1 3   88  9  o 29.264  6.6422  495.499    205.714  632.438    295.613  366.916    286.451  32.804  8.3104  25.938  8.6741  6.866013       12.01266  
1 1 1 3   88  10 o 135.588 3.3695  10039.33   494.835  9940.08    718.959  10128.67   682.100  134.276 4.9435  135.686 4.6413  -1.410202      6.780891  
1 1 1 3   88  11 o 123.630 3.3245  8352.58    445.165  8253.74    643.380  8443.36    616.592  122.272 4.8581  123.791 4.5987  -1.519211      6.689520  
1 1 1 3   88  12 o 23.300  7.2563  309.570    202.762  173.513    360.335  372.611    245.278  23.020  9.3148  25.446  7.9901  -2.426708      12.27222  
1 1 1 3   88  13 o 44.140  2.6344  1067.08    125.374  1008.59    136.915  1370.75    311.996  42.844  2.9688  49.007  6.0034  -6.163231      6.697301  
1 1 1 3   88  14 o 34.573  6.4622  700.480    233.086  967.009    385.279  546.615    292.733  39.508  9.1788  29.935  8.5839  9.573595       12.56717  
1 1 1 3   88  15 o 82.478  3.6170  3749.58    323.113  3914.20    508.722  3638.26    418.329  83.036  5.6908  80.572  4.8156  2.463646       7.454889  
1 1 1 3   88  16 o 65.829  4.0202  2411.09    285.266  2257.77    448.904  2514.94    369.457  62.203  6.7724  66.673  5.1562  -4.470093      8.511903  
1 1 1 3   88  17 o 31.539  7.3916  606.199    248.090  558.256    464.689  625.312    293.403  30.156  10.978  31.645  8.4147  -1.489117      13.83181  
1 1 1 3   88  18 o 80.516  3.8723  3603.99    337.697  0.0000     0.0000   3603.99    337.697  ?       ?       80.516  3.8723  0.000000       3.872343  
1 1 1 3   88  19 o 105.166 4.5930  6233.23    523.169  0.0000     0.0000   6233.23    523.169  ?       ?       105.166 4.5930  0.000000       4.592988  
1 1 1 3   88  20 o 54.794  6.7694  1793.90    393.204  0.0000     0.0000   1793.90    393.204  ?       ?       54.794  6.7694  0.000000       6.769400  
1 1 1 3   89  0  o 125.702 3.0670  8600.63    417.574  8419.89    592.965  8778.44    588.141  124.039 4.4137  126.690 4.2862  -2.651100      6.152366  
1 1 1 3   89  1  o 180.637 3.6632  17799.57   716.705  18197.96   1018.89  17409.37   1008.34  181.995 5.1689  177.978 5.2308  4.017700       7.353836  
1 1 1 3   89  2  o 83.338  2.9725  3779.53    268.307  3733.91    385.975  3822.20    373.231  82.499  4.3348  83.621  4.1209  -1.122063      5.980964  
1 1 1 3   89  3  o 35.373  4.5354  696.244    169.764  584.938    281.958  759.540    212.623  31.687  8.1647  36.753  5.5112  -5.066038      9.850619  
1 1 1 3   89  4  o 21.104  6.9485  238.546    184.039  292.966    264.617  187.561    256.131  23.904  8.3279  21.257  8.0696  2.647169       11.59622  
1 1 1 3   89  5  o 14.237  6.1201  -8.2269    170.098  175.217    265.290  -136.2897  221.657  21.196  8.1717  14.217  6.4870  6.979198       10.43350  
1 1 1 3   89  6  o 65.296  3.6108  2333.97    254.370  2395.28    377.600  2283.02    344.185  65.737  5.3498  64.266  4.9837  1.470360       7.311442  
1 1 1 3   89  7  o 99.223  3.2056  5365.91    344.499  5285.69    500.364  5438.21    475.015  98.117  4.7084  99.608  4.4029  -1.490944      6.446272  
1 1 1 3   89  8  o 110.065 3.1491  6604.22    375.414  6251.57    541.658  6930.21    520.788  106.658 4.6888  112.436 4.2765  -5.777588      6.346120  
1 1 1 3   89  9  o 102.152 3.2015  5693.44    354.218  6030.25    506.038  5369.86    495.994  104.765 4.4596  98.806  4.6347  5.959488       6.431849  
1 1 1 3   89  10 o 57.544  3.9360  1823.88    243.844  1484.97    367.173  2091.30    326.154  51.017  6.8152  61.350  4.9506  -10.33271      8.423505  
1 1 1 3   89  11 o 31.218  6.8911  570.778    226.767  717.565    336.973  449.282    306.572  34.499  8.9439  27.873  8.9536  6.626234       12.65543  
1 1 1 3   89  12 o 60.457  4.1681  2025.55    271.270  1518.92    420.264  2387.38    355.166  50.800  7.8944  65.319  5.0597  -14.51846      9.376648  
1 1 1 3   89  13 o 70.689  3.6259  2756.68    276.681  2923.03    449.783  2655.42    350.933  71.772  5.8365  68.934  4.7289  2.838783       7.511799  
1 1 1 3   89  14 o 73.889  3.6028  3006.89    288.327  3091.38    467.384  2954.98    366.342  73.687  5.9058  72.697  4.6775  0.9894028      7.533753  
1 1 1 3   89  15 o 81.087  2.9049  3603.02    255.127  4345.83    487.138  3322.27    299.484  87.828  5.1434  77.635  3.5616  10.19323       6.256132  
1 1 1 3   89  16 o 42.054  2.0248  963.730    92.225   1015.61    402.953  960.862    94.740   39.992  9.4523  41.983  2.0835  -1.991535      9.679171  
1 1 1 3   89  17 o 60.321  4.1825  2037.04    271.575  1568.85    540.222  2195.38    314.157  48.864  10.519  62.377  4.6842  -13.51332      11.51456  
1 1 1 3   89  18 o 61.981  4.3539  2161.60    290.427  0.0000     0.0000   2161.60    290.427  ?       ?       61.981  4.3539  0.000000       4.353862  
1 1 1 3   89  19 o 48.758  5.8425  1387.77    302.398  0.0000     0.0000   1387.77    302.398  ?       ?       48.758  5.8425  0.000000       5.842502  
1 1 1 3   90  0  o 115.992 3.0209  7323.69    379.513  6925.52    539.596  7713.47    533.875  112.463 4.4299  118.768 4.1502  -6.305161      6.070236  
1 1 1 3   90  1  o 132.105 3.1820  9505.41    455.300  9568.76    651.657  9445.00    636.396  132.150 4.5528  131.319 4.4744  0.8312225      6.383430  
1 1 1 3   90  2  o 98.018  3.0197  5230.19    320.584  5466.13    471.065  5026.63    437.538  99.925  4.3525  95.856  4.2143  4.069221       6.058400  
1 1 1 3   90  3  o 84.626  3.2333  3901.89    296.362  4022.78    430.597  3793.08    408.514  85.526  4.6660  83.070  4.5578  2.455391       6.522682  
1 1 1 3   90  4  o 92.435  3.1935  4654.91    319.718  4539.51    464.664  4758.66    440.596  90.838  4.7393  93.218  4.3639  -2.380470      6.442347  
1 1 1 3   90  5  o 77.119  3.3571  3242.77    280.411  3331.06    414.547  3168.30    380.731  77.703  4.9515  75.854  4.6567  1.848488       6.797182  
1 1 1 3   90  6  o 118.826 3.2279  7697.29    415.440  7652.69    599.313  7738.53    576.398  118.051 4.6872  118.782 4.4802  -0.7309799     6.483992  
1 1 1 3   90  7  o 38.650  5.3192  838.979    216.774  766.730    327.382  895.386    289.271  36.070  8.5163  39.470  7.0240  -3.400204      11.03918  
1 1 1 3   90  8  o 19.954  7.1620  193.561    196.880  167.809    287.996  216.153    269.758  21.486  8.4481  22.085  8.3049  -0.5989418     11.84659  
1 1 1 3   90  9  o 79.987  3.3580  3496.33    290.918  3013.49    416.532  3956.17    406.492  73.604  5.2595  84.687  4.4472  -11.08251      6.887678  
1 1 1 3   90  10 o 36.672  1.7308  730.321    68.749   307.922    328.331  749.690    70.308   24.952  9.2055  37.155  1.7471  -12.20214      9.369793  
1 1 1 3   90  11 o 22.924  7.3632  297.375    207.337  238.039    323.928  338.556    269.859  23.354  9.0224  24.713  8.4184  -1.359200      12.33994  
1 1 1 3   90  12 o 89.176  3.4609  4368.08    334.277  4016.10    491.585  4670.83    455.908  84.505  5.3991  91.610  4.6095  -7.104645      7.099121  
1 1 1 3   90  13 o 124.723 3.3783  8546.00    456.375  8845.16    677.852  8297.96    617.224  125.847 4.9731  122.113 4.6667  3.733406       6.819774  
1 1 1 3   90  14 o 36.707  1.9892  735.724    78.790   942.068    394.623  727.157    80.409   38.729  9.4833  36.484  2.0431  2.245155       9.700912  
1 1 1 3   90  15 o 44.362  2.1672  1073.08    104.131  1003.55    401.758  1078.09    107.815  39.846  9.4519  44.398  2.2494  -4.551868      9.715875  
1 1 1 3   90  16 o 41.515  1.9492  939.037    87.643   823.960    403.112  944.747    89.791   35.580  10.029  41.635  1.9911  -6.055244      10.22484  
1 1 1 3   90  17 o 4.1825  2.0858  -99.7013   38.127   473.419    460.654  -103.6544  38.258   28.464  10.818  4.1359  2.0667  24.32776       11.01369  
1 1 1 3   90  18 o 41.364  7.0684  1033.71    305.300  0.0000     0.0000   1033.71    305.300  ?       ?       41.364  7.0684  0.000000       7.068434  
1 1 1 3   90  19 o 36.532  7.9135  833.464    304.061  0.0000     0.0000   833.464    304.061  ?       ?       36.532  7.9135  0.000000       7.913459  
1 1 1 3   91  0  o 16.403  6.3122  101.300    158.065  -100.6218  227.812  288.748    219.494  14.969  6.7280  23.103  7.5875  -8.133342      10.14080  
1 1 1 3   91  1  o 29.211  5.8202  487.083    177.674  257.742    258.522  692.379    244.594  22.930  8.2094  34.743  6.7432  -11.81258      10.62375  
1 1 1 3   91  2  o 50.886  3.6392  1420.34    199.252  1414.89    294.968  1424.92    270.225  50.383  5.4944  50.690  4.9865  -0.3062286     7.419757  
1 1 1 3   91  3  o 93.564  3.1379  4769.16    317.993  4815.42    466.876  4729.13    434.308  93.698  4.6005  92.925  4.3151  0.7725830      6.307495  
1 1 1 3   91  4  f 43.785  4.4286  1061.28    207.132  1100.28    325.200  1034.65    268.684  43.887  7.0826  42.856  5.9489  1.030704       9.249456  
1 1 1 3   91  5  o 149.167 3.4336  12143.29   554.742  12046.08   794.814  12235.63   774.624  147.952 4.9599  149.190 4.7938  -1.237595      6.897917  
1 1 1 3   91  6  o 96.535  3.2317  5083.35    337.898  4989.77    492.365  5166.66    464.565  95.117  4.7947  97.019  4.4210  -1.901817      6.521832  
1 1 1 3   91  7  o 93.329  3.3094  4755.39    334.524  4752.08    478.610  4758.56    467.755  92.774  4.7793  92.997  4.6439  -0.2227020     6.663852  
1 1 1 3   91  8  o 81.769  3.3045  3653.16    292.661  3734.82    421.407  3577.07    406.753  82.161  4.7558  80.425  4.6898  1.736191       6.679268  
1 1 1 3   91  9  o 55.850  4.0221  1722.72    241.674  1594.25    348.584  1841.63    335.357  53.015  6.1871  57.295  5.4705  -4.280575      8.258745  
1 1 1 3   91  10 o 16.589  6.9459  42.282     209.523  -55.9871   311.178  123.784    283.388  18.210  8.0423  20.305  8.2451  -2.094931      11.51784  
1 1 1 3   91  11 o 25.331  7.2872  378.781    210.664  168.188    329.953  523.702    273.714  22.090  8.9224  29.475  8.2487  -7.384409      12.15108  
1 1 1 3   91  12 o 34.943  6.2013  710.287    226.105  661.338    364.351  740.944    288.344  32.656  9.6384  35.097  7.7887  -2.440735      12.39203  
1 1 1 3   91  13 o 44.165  2.5526  1068.79    121.587  1487.06    407.625  1027.94    127.386  50.015  7.7773  43.274  2.7319  6.741745       8.243191  
1 1 1 3   91  14 o 24.598  1.3009  329.370    34.535   178.806    381.903  330.612    34.677   23.074  9.4933  24.644  1.3038  -1.570076      9.582423  
1 1 1 3   91  15 o 20.288  7.6385  197.532    228.341  497.063    378.264  25.806     286.413  28.668  9.9587  18.400  7.9259  10.26802       12.72770  
1 1 1 3   91  16 o 3.4682  1.7337  -74.0281   27.038   387.508    382.884  -76.3412   27.106   26.378  9.8991  3.4362  1.7204  22.94168       10.04750  
1 1 1 3   91  17 o 3.7825  1.8636  -58.3290   27.154   0.0000     0.0000   -58.3290   27.154   ?       ?       3.7825  1.8636  0.000000       1.863649  
1 1 1 3   91  18 o 40.958  6.9283  1009.30    296.393  0.0000     0.0000   1009.30    296.393  ?       ?       40.958  6.9283  0.000000       6.928307  
1 1 1 3   92  0  o 117.546 3.1314  7528.75    398.671  7425.97    574.521  7624.21    553.670  116.343 4.5593  117.959 4.3336  -1.616028      6.290218  
1 1 1 3   92  1  o 73.741  3.2583  2964.62    260.242  2717.98    381.937  3178.38    355.554  70.104  5.0642  76.040  4.3351  -5.935585      6.666281  
1 1 1 3   92  2  o 87.278  3.1325  4151.33    296.122  4068.60    430.608  4225.54    407.876  85.963  4.6421  87.815  4.2884  -1.852089      6.319740  
1 1 1 3   92  3  o 60.138  3.6617  1983.05    237.374  1794.43    334.222  2175.05    337.194  56.746  5.5072  62.666  5.0098  -5.920048      7.444995  
1 1 1 3   92  4  o 92.840  3.0846  4698.24    310.172  4932.50    450.096  4486.37    428.035  94.814  4.3829  90.428  4.3702  4.386078       6.189398  
1 1 1 3   92  5  o 51.082  4.1058  1439.03    225.238  1279.43    326.380  1584.17    311.230  47.487  6.5176  53.254  5.4738  -5.766964      8.511242  
1 1 1 3   92  6  o 59.142  2.5954  1904.04    166.254  1802.80    194.883  2174.69    318.642  57.395  3.1470  62.665  4.7296  -5.269642      5.680863  
1 1 1 3   92  7  o 72.346  3.4218  2862.40    268.124  3053.96    385.309  2682.55    373.342  74.226  4.8188  69.487  4.9939  4.738907       6.939754  
1 1 1 3   92  8  o 40.023  5.1317  901.955    217.331  1073.70    318.734  752.727    297.110  43.051  7.0819  35.635  7.9047  7.415291       10.61308  
1 1 1 3   92  9  o 30.798  6.3219  552.481    203.820  544.908    309.587  558.274    270.785  30.142  8.8812  30.543  8.0659  -0.4007015     11.99731  
1 1 1 3   92  10 o 44.544  4.9880  1117.55    236.519  1279.14    348.711  979.880    321.875  46.836  7.0965  40.676  7.5850  6.159363       10.38708  
1 1 1 3   92  11 o 57.761  4.2000  1854.35    260.956  2015.13    384.569  1717.13    355.266  59.430  6.0592  54.805  6.0878  4.624519       8.589307  
1 1 1 3   92  12 f 55.716  2.4242  1693.65    146.291  1389.38    390.282  1743.39    157.796  48.401  7.7030  56.501  2.5785  -8.099834      8.123094  
1 1 1 3   92  13 o 43.656  5.1194  1081.85    237.470  1025.03    402.745  1112.13    294.017  40.471  9.3723  43.731  6.3966  -3.260136      11.34711  
1 1 1 3   92  14 o 21.478  7.4558  253.154    212.003  160.357    385.535  293.376    253.824  22.818  9.4768  23.080  8.1481  -0.2615089     12.49804  
1 1 1 3   92  15 o 29.964  7.0111  542.424    223.498  902.637    393.338  370.674    271.603  37.476  9.6365  25.080  8.4460  12.39654       12.81393  
1 1 1 3   92  16 o 51.261  4.6284  1485.49    254.200  1497.57    429.819  1478.99    315.240  49.288  8.3496  50.518  5.8708  -1.230450      10.20697  
1 1 1 3   92  17 f 45.985  9.9892  1385.83    483.297  0.0000     0.0000   1385.83    483.297  ?       ?       45.985  9.9892  0.000000       9.989226  
1 1 1 3   92  18 o 18.403  7.4786  116.063    233.360  0.0000     0.0000   116.063    233.360  ?       ?       18.403  7.4786  0.000000       7.478611  
1 1 1 3   93  0  o 28.255  6.3347  460.883    189.071  536.092    278.381  396.483    257.601  30.259  8.2618  26.408  8.1715  3.851416       11.62024  
1 1 1 3   93  1  o 108.243 3.1220  6387.77    366.018  6561.88    516.209  6211.73    519.058  109.362 4.3580  106.357 4.5059  3.005249       6.268610  
1 1 1 3   93  2  o 77.618  3.0883  3284.50    259.630  3460.79    379.428  3129.28    356.031  79.274  4.4369  75.386  4.3793  3.888054       6.234076  
1 1 1 3   93  3  o 59.018  3.6241  1911.23    230.540  1903.99    355.429  1916.48    302.899  58.352  5.6964  58.813  4.7968  -0.4606323     7.447028  
1 1 1 3   93  4  o 68.746  3.6404  2592.20    270.095  2367.30    389.664  2800.18    374.717  65.129  5.5777  71.103  4.8955  -5.974373      7.421415  
1 1 1 3   93  5  o 40.590  5.0893  924.240    218.822  1018.60    333.524  852.925    289.953  41.817  7.6456  38.313  7.2529  3.503628       10.53849  
1 1 1 3   93  6  o 107.201 3.1839  6278.73    369.683  6041.17    543.040  6483.91    504.687  104.572 4.7945  108.549 4.2927  -3.976685      6.435397  
1 1 1 3   93  7  o 77.596  3.4356  3297.33    288.744  3296.30    425.474  3298.20    393.133  76.900  5.1379  77.089  4.7313  -0.1883392     6.984480  
1 1 1 3   93  8  o 50.246  4.1384  1400.55    223.218  1382.07    313.325  1419.60    318.084  49.283  5.9933  49.954  5.9990  -0.6711388     8.479821  
1 1 1 3   93  9  o 38.980  5.1985  861.413    214.007  952.969    324.290  790.780    284.837  40.039  7.7580  36.510  7.4552  3.529430       10.75947  
1 1 1 3   93  10 o 78.727  3.5206  3405.71    300.194  3124.40    437.445  3656.11    412.711  74.474  5.4612  80.975  4.7263  -6.500404      7.222314  
1 1 1 3   93  11 o 91.458  3.0262  4581.27    299.768  4821.69    393.054  4247.00    463.467  93.490  3.8817  87.127  4.9315  6.362724       6.275939  
1 1 1 3   93  12 o 23.315  7.6597  311.394    223.682  219.815    343.413  378.878    294.794  23.121  9.1824  25.698  8.7985  -2.576488      12.71730  
1 1 1 3   93  13 o 43.416  5.3500  1075.80    246.258  1149.78    420.797  1037.26    303.693  42.875  9.3268  41.924  6.9303  0.9512901      11.61970  
1 1 1 3   93  14 o 14.835  6.6573  -73.4348   222.128  -25.0435   378.903  -98.7745   274.186  20.073  8.8693  16.239  7.3321  3.833792       11.50762  
1 1 1 3   93  15 o 17.432  7.2747  67.970     228.742  -107.2531  383.209  164.960    285.105  19.127  8.6492  20.697  8.3169  -1.569763      11.99913  
1 1 1 3   93  16 o 18.420  7.8167  61.215     271.119  33.128     725.150  65.779     292.319  26.463  11.938  19.042  8.0997  7.420740       14.42662  
1 1 1 3   93  17 o 40.833  9.3694  1076.34    405.585  0.0000     0.0000   1076.34    405.585  ?       ?       40.833  9.3694  0.000000       9.369377  
1 1 1 3   94  0  o 16.725  6.6027  92.826     176.590  152.837    267.009  46.169     235.432  20.644  8.1289  17.633  7.3714  3.011068       10.97347  
1 1 1 3   94  1  o 33.549  5.0769  634.833    178.715  473.759    268.994  762.115    239.118  28.476  8.2468  36.488  6.2768  -8.011782      10.36381  
1 1 1 3   94  2  o 74.561  3.2102  3035.44    259.243  2762.71    387.888  3255.61    348.515  70.518  5.1133  76.884  4.2011  -6.366493      6.617732  
1 1 1 3   94  3  o 28.796  6.5778  482.524    200.658  802.990    280.118  144.767    287.576  37.144  7.2229  20.953  8.3764  16.19080       11.06053  
1 1 1 3   94  4  o 33.544  5.7930  643.349    202.859  740.381    296.696  558.167    277.989  35.384  7.9371  30.677  8.2062  4.707569       11.41664  
1 1 1 3   94  5  o 67.159  3.5095  2476.75    254.395  2681.72    392.154  2327.82    334.275  69.308  5.2633  64.713  4.8035  4.595558       7.125706  
1 1 1 3   94  6  f 56.668  3.8884  1772.94    237.213  1975.69    370.481  1632.06    308.816  59.145  5.8605  53.893  5.3617  5.251446       7.943110  
1 1 1 3   94  7  o 57.646  4.0043  1838.77    248.467  1681.26    371.729  1965.96    334.053  54.193  6.4603  59.168  5.2678  -4.974728      8.335782  
1 1 1 3   94  8  o 43.200  4.8743  1049.70    224.081  1129.95    328.207  979.631    306.685  43.966  7.1369  40.852  7.1939  3.113960       10.13353  
1 1 1 3   94  9  o 68.084  3.5655  2554.08    262.009  2509.68    387.901  2591.33    355.313  66.750  5.4120  68.090  4.8496  -1.339958      7.266918  
1 1 1 3   94  10 o 22.306  7.5947  274.323    219.633  398.896    328.422  173.535    295.411  26.578  9.2767  21.394  8.5102  5.183451       12.58894  
1 1 1 3   94  11 o 73.949  3.6826  3013.45    294.954  3011.49    433.097  3015.14    402.804  72.961  5.5214  73.228  5.1107  -0.2669907     7.523661  
1 1 1 3   94  12 o 66.809  3.8858  2475.00    279.963  2414.96    421.137  2522.54    374.763  64.924  6.0589  66.832  5.2187  -1.907661      7.996530  
1 1 1 3   94  13 o 53.085  4.8001  1589.63    273.007  1464.49    441.987  1666.83    347.148  48.843  8.6724  53.747  6.0697  -4.903103      10.58547  
1 1 1 3   94  14 o 69.358  3.9525  2677.38    295.690  2447.65    473.526  2824.21    378.570  64.579  6.8757  70.691  4.9761  -6.112595      8.487446  
1 1 1 3   94  15 o 28.482  1.1646  440.327    35.926   448.474    36.203   -86.0595   291.013  28.744  1.1628  16.845  7.5846  11.89899       7.673173  
1 1 1 3   94  16 o 39.840  8.4337  992.604    352.584  191.083    758.640  1213.43    398.203  28.230  12.508  44.008  8.6626  -15.77769      15.21478  
1 1 1 3   95  0  o 35.888  5.2388  728.052    197.635  652.392    292.870  791.316    267.805  33.121  8.2061  36.914  6.9533  -3.792805      10.75584  
1 1 1 3   95  1  f 123.130 3.2032  8284.88    427.191  8336.64    613.760  8236.24    594.956  122.923 4.6099  122.237 4.4938  0.6863174      6.437838  
1 1 1 3   95  2  o 68.853  3.2925  2592.53    245.537  2458.25    351.910  2719.91    342.755  66.479  4.9224  70.080  4.5401  -3.600906      6.696416  
1 1 1 3   95  3  o 42.148  4.8187  994.854    216.023  1065.58    321.582  936.694    291.616  42.833  7.1862  40.188  6.9511  2.645420       9.998012  
1 1 1 3   95  4  o 17.879  7.1433  102.725    209.004  132.301    311.185  78.419     282.103  21.185  8.6255  19.490  8.1014  1.695286       11.83356  
1 1 1 3   95  5  o 31.135  5.9765  560.782    194.212  462.627    299.080  632.349    255.381  28.050  8.8255  32.670  7.3902  -4.619299      11.51104  
1 1 1 3   95  6  o 59.705  3.9232  1970.63    252.289  2115.15    379.352  1856.02    337.828  61.148  5.7970  57.371  5.5042  3.777138       7.993876  
1 1 1 3   95  7  o 43.278  4.9792  1055.06    229.147  1117.97    346.936  1006.37    305.189  43.507  7.6412  41.483  7.0445  2.024303       10.39288  
1 1 1 3   95  8  o 30.054  6.7059  532.795    212.747  396.896    314.383  647.604    288.961  26.462  9.0853  32.728  8.1755  -6.266535      12.22218  
1 1 1 3   95  9  o 87.835  3.2760  4232.09    311.663  4634.31    458.732  3887.26    424.743  91.211  4.6590  83.489  4.7164  7.722511       6.629501  
1 1 1 3   95  10 o 64.886  3.7716  2328.79    263.917  2486.48    402.297  2209.66    349.679  66.206  5.6648  62.611  5.2036  3.594807       7.691999  
1 1 1 3   95  11 o 17.292  7.1933  63.021     222.640  87.542     337.076  44.045     296.528  20.777  8.7606  19.075  8.1368  1.702164       11.95636  
1 1 1 3   95  12 o 28.144  7.4355  479.596    230.053  630.462    357.118  372.578    300.776  31.666  9.5883  25.492  8.8788  6.174221       13.06784  
1 1 1 3   95  13 o 36.917  1.4561  740.440    58.220   753.617    59.283   382.815    308.838  37.242  1.4697  25.712  8.9947  11.53038       9.113977  
1 1 1 3   95  14 o 15.627  6.8158  -11.2959   217.239  -648.8582  392.572  270.114    260.812  14.895  7.2870  22.491  8.2186  -7.596076      10.98393  
1 1 1 3   95  15 o 42.569  6.0921  1059.80    272.874  2448.43    723.972  829.866    294.602  60.326  11.500  36.823  7.6371  23.50351       13.80481  
1 1 1 3   95  16 o 47.817  8.5020  1420.48    424.188  903.462    883.449  1575.39    483.579  35.944  14.571  49.802  9.3071  -13.85871      17.28974  
1 1 1 3   96  0  o 27.322  6.6503  437.896    194.945  207.755    305.506  595.968    253.192  22.455  8.7378  31.712  7.4909  -9.256538      11.50922  
1 1 1 3   96  1  o 20.366  6.6387  228.831    168.149  142.123    254.575  295.934    223.954  19.964  7.9130  23.095  7.6680  -3.131531      11.01881  
1 1 1 3   96  2  o 64.146  3.4402  2261.45    238.142  2175.04    364.560  2325.76    314.520  62.217  5.4653  64.716  4.5154  -2.499722      7.089330  
1 1 1 3   96  3  o 31.279  5.7847  563.999    188.760  356.973    284.802  726.183    252.077  25.336  8.6483  35.235  6.8519  -9.898935      11.03364  
1 1 1 3   96  4  f 76.447  3.3450  3202.73    276.967  3230.15    420.382  3181.70    368.172  76.008  5.1366  75.705  4.5106  0.3027115      6.835884  
1 1 1 3   96  5  o 26.455  7.1517  413.899    209.819  474.537    323.116  369.687    275.904  28.395  9.1994  25.509  8.5130  2.886261       12.53402  
1 1 1 3   96  6  o 14.149  6.3503  -77.7364   202.188  -5.1995    314.968  -128.5780  263.691  18.983  8.2438  15.681  7.1242  3.301651       10.89560  
1 1 1 3   96  7  o 70.509  3.6392  2740.32    276.976  2428.80    411.102  2999.27    374.815  65.457  5.8606  73.334  4.7443  -7.877060      7.540263  
1 1 1 3   96  8  o 85.300  2.9004  3980.09    267.961  3849.59    343.616  4182.60    428.056  83.593  3.7952  86.690  4.5751  -3.096794      5.944356  
1 1 1 3   96  9  o 24.095  7.2631  340.998    205.256  439.646    320.547  272.440    267.226  27.379  9.1758  22.913  8.3272  4.466105       12.39102  
1 1 1 3   96  10 o 37.598  5.6871  813.556    224.359  793.511    353.724  827.048    290.206  35.713  9.1143  37.183  7.4653  -1.470890      11.78138  
1 1 1 3   96  11 o 49.042  4.6184  1352.43    242.429  1284.57    377.829  1399.91    316.070  46.268  7.8180  49.275  6.0493  -3.006821      9.885102  
1 1 1 3   96  12 o 51.210  4.4871  1472.93    246.370  1196.76    391.079  1654.65    317.235  44.150  8.4867  53.823  5.5199  -9.673462      10.12390  
1 1 1 3   96  13 o 68.561  3.9471  2616.14    291.871  2353.51    478.192  2772.06    368.468  63.147  7.1157  70.087  4.8844  -6.940189      8.630810  
1 1 1 3   96  14 o 17.538  7.2994  72.906     229.422  510.377    415.044  -119.5764  275.306  28.929  10.397  15.946  7.2579  12.98279       12.67975  
1 1 1 3   96  15 o 44.657  8.8095  1250.36    410.962  318.002    854.136  1531.22    468.791  30.391  13.378  49.311  9.1131  -18.91983      16.18684  
1 1 1 3   97  0  o 25.302  6.7711  376.201    189.216  145.358    282.280  564.556    254.981  20.668  8.2861  30.760  7.6775  -10.09220      11.29615  
1 1 1 3   97  1  o 23.405  6.9362  317.891    188.373  298.605    285.708  332.722    250.541  23.956  8.6246  24.338  8.1118  -0.3824482     11.83996  
1 1 1 3   97  2  o 47.710  4.1045  1263.74    210.035  1390.06    307.925  1153.84    287.223  49.452  5.8632  44.927  6.0570  4.525547       8.429971  
1 1 1 3   97  3  o 31.400  6.3332  574.857    207.957  413.026    312.243  703.864    278.784  26.898  9.0559  34.368  7.6825  -7.469984      11.87561  
1 1 1 3   97  4  o 64.421  3.6219  2286.72    251.692  2113.77    363.949  2445.25    348.450  61.222  5.5489  66.162  4.8973  -4.939766      7.400898  
1 1 1 3   97  5  f 69.298  3.6259  2645.90    271.202  2555.88    404.000  2719.75    365.898  67.320  5.5913  69.787  4.8714  -2.466789      7.415733  
1 1 1 3   97  6  o 53.743  4.2542  1606.17    245.609  1360.01    371.777  1796.80    327.172  48.182  7.3573  56.418  5.4209  -8.235424      9.138721  
1 1 1 3   97  7  o 72.317  3.7158  2886.21    290.064  3062.32    419.516  2724.90    401.500  73.803  5.2831  69.555  5.3711  4.247520       7.533893  
1 1 1 3   97  8  f 38.633  5.4861  853.175    223.105  866.552    328.963  841.782    303.597  37.799  8.2655  37.471  7.7369  0.3283691      11.32156  
1 1 1 3   97  9  o 97.425  3.3180  5214.23    350.117  5099.17    503.996  5321.54    486.737  95.440  4.8920  97.787  4.5956  -2.347572      6.712030  
1 1 1 3   97  10 o 66.974  3.7533  2483.89    271.166  2404.81    413.220  2543.71    359.369  64.832  5.9511  67.228  4.9706  -2.395981      7.753901  
1 1 1 3   97  11 o 12.235  5.7903  -216.4989  203.572  -354.2428  333.265  -134.5120  257.114  15.399  7.3225  15.239  6.9663  0.1597891      10.10684  
1 1 1 3   97  12 o 14.678  6.5211  -49.3957   207.568  -202.6483  347.541  35.583     258.796  17.224  7.9553  17.772  7.5917  -0.5476742     10.99639  
1 1 1 3   97  13 f 3.9951  1.9660  -63.0346   29.914   358.150    388.012  -65.5529   30.003   25.941  9.9119  3.9535  1.9500  21.98721       10.10192  
1 1 1 3   97  14 o 42.553  2.2544  991.561    103.535  2377.61    849.732  970.674    104.313  56.961  13.897  42.093  2.2967  14.86820       14.08509  
1 1 1 3   98  0  o 19.119  6.7261  187.722    172.817  -40.9277   268.194  350.071    225.990  17.069  7.5053  24.589  7.6611  -7.520178      10.72487  
1 1 1 3   98  1  o 62.774  3.5756  2170.52    242.102  2020.41    336.945  2330.72    348.095  59.979  5.2392  64.542  5.0189  -4.562794      7.255290  
1 1 1 3   98  2  o 88.323  3.2074  4272.40    306.827  4399.59    452.685  4164.31    417.307  88.936  4.7163  86.639  4.4622  2.296837       6.492689  
1 1 1 3   98  3  o 38.516  5.1203  839.897    208.308  789.127    298.284  888.229    291.033  36.352  7.8087  38.875  7.1762  -2.523308      10.60541  
1 1 1 3   98  4  o 78.325  3.4362  3367.09    291.511  3345.49    431.435  3385.23    395.431  77.264  5.1855  77.954  4.7055  -0.6897964     7.002222  
1 1 1 3   98  5  o 65.328  2.7706  2331.95    196.041  2058.26    233.102  2993.31    362.357  61.107  3.5371  73.317  4.5862  -12.21069      5.791713  
1 1 1 3   98  6  o 20.642  7.4087  217.989    210.676  335.392    326.322  134.079    275.874  25.196  9.1952  20.195  8.1579  5.000692       12.29235  
1 1 1 3   98  7  o 100.907 3.3082  5589.40    361.565  5395.71    528.412  5759.94    495.805  98.192  4.9848  101.856 4.4942  -3.663849      6.711673  
1 1 1 3   98  8  o 63.047  3.7021  2198.22    251.691  2091.19    355.604  2305.65    356.286  60.753  5.4626  63.947  5.1888  -3.194683      7.534174  
1 1 1 3   98  9  o 25.678  7.4813  394.245    220.781  307.642    326.823  466.941    299.435  24.473  9.1532  27.819  8.8396  -3.346773      12.72477  
1 1 1 3   98  10 o 9.1179  2.9765  43.950     33.797   299.198    340.961  41.417     33.964   24.441  9.3028  8.9426  2.9869  15.49826       9.770522  
1 1 1 3   98  11 o 15.908  6.9388  -13.4423   225.197  -20.7566   343.969  -7.9552    297.925  19.275  8.4870  18.221  7.9636  1.054108       11.63821  
1 1 1 3   98  12 o 24.670  7.7541  363.885    230.935  313.135    362.646  398.503    299.517  24.847  9.5613  25.951  8.8688  -1.103930      13.04125  
1 1 1 3   98  13 o 36.583  6.6705  795.609    254.571  509.316    414.526  968.966    322.566  28.990  10.394  39.899  7.7435  -10.90916      12.96102  
1 1 1 3   99  0  o 47.466  4.4847  1258.13    227.832  1244.30    329.696  1270.77    315.198  46.341  6.7683  47.016  6.3523  -0.6752129     9.282323  
1 1 1 3   99  1  o 28.238  6.0142  465.056    178.306  231.480    269.386  647.177    237.870  22.116  8.3026  33.157  6.8502  -11.04097      10.76374  
1 1 1 3   99  2  o 38.864  4.9719  853.564    204.489  1078.09    303.209  666.235    276.954  43.084  6.7166  33.319  7.8104  9.765385       10.30126  
1 1 1 3   99  3  o 49.432  4.1979  1359.69    222.632  1098.91    344.520  1546.68    291.724  43.064  7.6674  52.380  5.2112  -9.316147      9.270645  
1 1 1 3   99  4  o 41.420  4.9484  968.376    217.602  1027.53    316.905  915.606    299.317  41.770  7.2688  39.371  7.2876  2.398945       10.29297  
1 1 1 3   99  5  o 17.906  7.1240  111.101    207.044  -16.6678   321.408  201.729    270.690  18.932  8.2729  21.436  8.2573  -2.504271      11.68860  
1 1 1 3   99  6  o 55.220  4.0697  1694.19    241.691  1506.18    350.260  1865.08    333.930  51.068  6.4782  57.402  5.4358  -6.333790      8.456642  
1 1 1 3   99  7  o 20.329  7.4540  205.209    214.802  0.3639     333.123  350.995    281.028  19.415  8.4549  24.910  8.5877  -5.494967      12.05130  
1 1 1 3   99  8  f 18.084  7.1662  119.702    208.743  194.332    312.967  59.896     280.165  22.037  8.7614  18.878  7.9749  3.158525       11.84741  
1 1 1 3   99  9  o 34.167  2.5404  641.429    93.340   613.415    97.631   939.283    318.347  33.372  2.7248  39.464  7.7244  -6.091423      8.190892  
1 1 1 3   99  10 o 29.002  7.3955  510.187    233.025  350.160    353.583  633.061    309.830  25.548  9.5274  31.871  8.7218  -6.323820      12.91671  
1 1 1 3   99  11 o 59.719  4.2743  1995.12    274.641  1994.41    411.059  1995.69    369.120  58.449  6.6093  58.916  5.8623  -0.4672394     8.834597  
1 1 1 3   99  12 o 60.953  4.2044  2076.68    275.869  2144.46    423.233  2026.61    363.761  60.643  6.5475  59.436  5.7213  1.206478       8.694983  
1 1 1 3   100 0  o 25.763  6.4084  390.913    178.080  300.431    268.730  461.757    237.787  23.665  8.3808  27.792  7.6554  -4.127096      11.35087  
1 1 1 3   100 1  o 72.954  3.3687  2921.01    266.188  2850.43    371.750  2995.27    381.327  71.419  4.8343  73.218  4.8357  -1.798790      6.837720  
1 1 1 3   100 2  o 58.417  3.8661  1888.79    243.231  1966.27    365.327  1827.09    325.987  58.831  5.8092  56.894  5.3531  1.937454       7.899467  
1 1 1 3   100 3  o 11.593  5.4435  -169.1897  173.722  -193.7074  268.385  -151.5097  227.908  15.003  6.9510  14.057  6.4746  0.9460344      9.499300  
1 1 1 3   100 4  o 24.854  7.0399  365.431    198.127  381.171    321.821  355.824    251.422  26.093  9.1788  24.823  8.1191  1.270517       12.25436  
1 1 1 3   100 5  o 29.794  6.3155  522.222    197.473  522.307    305.611  522.161    258.743  29.298  8.8696  29.367  7.9431  -0.6826401E-01 11.90636  
1 1 1 3   100 6  f 15.749  6.6486  31.215     194.514  -47.7252   325.269  75.161     242.691  18.551  8.2062  18.133  7.5239  0.4184952      11.13335  
1 1 1 3   100 7  o 111.893 3.2698  6878.87    396.275  6895.38    567.873  6863.20    553.248  111.170 4.7162  110.988 4.6023  0.1819077      6.589684  
1 1 1 3   100 8  o 97.800  3.0405  5247.37    322.072  5331.87    429.378  5138.67    487.003  98.101  4.0411  95.935  4.6869  2.165878       6.188447  
1 1 1 3   100 9  o 29.914  7.1155  539.161    227.189  630.018    338.040  464.315    306.812  31.681  9.2650  27.676  8.9641  4.004679       12.89169  
1 1 1 3   100 10 o 24.012  7.7384  339.276    228.861  371.378    348.349  314.896    303.568  25.873  9.4916  24.169  8.8615  1.703730       12.98524  
1 1 1 3   100 11 o 44.419  5.4023  1130.19    254.554  1168.68    385.920  1100.55    338.676  43.562  8.4844  42.747  7.5931  0.8153419      11.38594  
1 1 1 3   101 0  o 69.229  3.2944  2630.50    247.022  2658.81    361.598  2605.73    338.253  68.899  4.8771  68.331  4.5972  0.5683517      6.702197  
1 1 1 3   101 1  o 88.697  3.1090  4311.98    298.673  4043.56    433.330  4554.89    412.233  85.113  4.7191  90.718  4.1955  -5.605042      6.314407  
1 1 1 3   101 2  o 20.983  7.2812  236.573    202.180  405.069    283.199  61.430     288.732  26.308  8.6175  19.201  8.1027  7.106953       11.82853  
1 1 1 3   101 3  o 40.368  5.2029  926.159    222.192  823.981    331.351  1009.65    299.511  36.716  8.5000  41.481  6.9094  -4.764919      10.95396  
1 1 1 3   101 4  o 20.813  7.2509  232.177    200.599  77.726     292.560  369.221    275.582  19.547  8.1975  25.321  8.5078  -5.773674      11.81443  
1 1 1 3   101 5  o 21.901  7.6031  261.510    220.463  419.885    323.849  124.724    300.969  26.883  9.2216  20.545  8.4371  6.338634       12.49893  
1 1 1 3   101 6  o 38.932  5.3377  866.492    219.151  1349.66    354.858  568.597    278.637  47.919  7.0477  30.476  8.2426  17.44279       10.84481  
1 1 1 3   101 7  o 41.429  5.0875  975.885    223.484  998.708    356.735  961.142    286.723  40.379  8.4291  40.392  6.7951  -0.1338196E-01 10.82695  
1 1 1 3   101 8  f 60.292  4.0287  2023.55    261.571  2041.79    383.540  2007.69    357.651  59.588  6.0254  59.298  5.6364  0.2904320      8.250774  
1 1 1 3   101 9  o 34.612  6.4982  707.675    234.663  791.006    351.582  640.729    315.129  35.455  9.1073  32.039  8.8078  3.416485       12.66968  
1 1 1 3   101 10 o 16.636  7.0818  30.458     223.794  -245.4077  342.344  236.317    295.733  16.660  7.7635  22.409  8.6312  -5.749035      11.60901  
1 1 1 3   102 0  o 63.388  3.7404  2222.45    255.666  2242.01    391.216  2207.87    337.774  62.754  5.8221  62.661  5.0190  0.9280396E-01  7.686827  
1 1 1 3   102 1  o 11.984  5.6121  -167.9097  182.538  -333.2377  281.959  -48.6225   239.503  14.000  6.6790  15.912  7.0401  -1.911943      9.704191  
1 1 1 3   102 2  o 21.516  7.1302  259.755    193.672  296.436    313.519  237.120    246.280  24.112  8.9755  21.707  7.9782  2.405499       12.00879  
1 1 1 3   102 3  o 53.562  4.0611  1596.00    233.845  1417.01    335.466  1765.19    326.146  49.484  6.4098  55.764  5.4704  -6.280285      8.426750  
1 1 1 3   102 4  o 36.978  5.7928  789.646    224.386  666.616    340.908  883.687    298.051  32.709  9.2240  38.463  7.4234  -5.753796      11.84010  
1 1 1 3   102 5  f 25.003  7.4277  372.026    215.821  205.718    330.225  496.028    285.147  22.575  8.9920  28.531  8.5518  -5.956022      12.40930  
1 1 1 3   102 6  f 84.190  3.4574  3903.33    315.272  3793.55    467.027  3995.24    427.337  81.942  5.2905  84.472  4.6892  -2.530594      7.069473  
1 1 1 3   102 7  o 77.018  3.4855  3268.56    290.753  3099.61    441.594  3397.85    386.304  73.845  5.5620  77.909  4.5983  -4.063683      7.216667  
1 1 1 3   102 8  o 58.141  3.8457  1877.48    240.806  1730.10    351.865  2007.33    330.263  54.822  6.0253  59.540  5.1727  -4.718811      7.941090  
1 1 1 3   102 9  f 37.492  6.1086  820.066    239.511  593.633    358.907  1001.87    321.595  30.775  9.6656  40.822  7.5517  -10.04713      12.26585  
1 1 1 3   103 0  o 53.715  3.7465  1598.95    216.601  1562.01    320.168  1630.13    294.127  52.298  5.7471  53.719  5.1170  -1.421909      7.694977  
1 1 1 3   103 1  o 44.374  4.2454  1101.19    201.551  1044.80    301.822  1146.58    270.772  42.187  6.8396  44.733  5.7196  -2.545742      8.916000  
1 1 1 3   103 2  o 28.947  7.1761  502.964    223.865  826.200    326.637  216.638    307.422  36.726  8.3946  22.364  8.7476  14.36244       12.12395  
1 1 1 3   103 3  f 25.920  6.9851  401.422    200.533  344.598    323.237  436.977    255.686  25.192  9.1580  26.938  8.1034  -1.745913      12.22843  
1 1 1 3   103 4  o 31.084  6.5250  572.185    212.681  443.961    310.560  685.434    291.862  27.283  9.0284  33.458  8.1331  -6.175177      12.15153  
1 1 1 3   103 5  o 27.987  6.9434  469.507    209.466  330.474    302.051  598.314    290.732  24.589  8.8660  31.164  8.4158  -6.575016      12.22418  
1 1 1 3   103 6  o 37.337  2.1295  762.194    85.760   749.862    89.304   908.384    307.483  37.014  2.2381  38.878  7.5744  -1.863411      7.898177  
1 1 1 3   103 7  o 45.577  4.7256  1171.94    229.889  1196.57    366.155  1155.91    295.359  44.575  7.8720  44.595  6.2895  -0.2086639E-01 10.07606  
1 1 1 3   103 8  o 69.594  3.6560  2680.46    274.615  2485.69    410.024  2838.91    369.811  65.949  5.7992  71.066  4.8332  -5.116806      7.549215  
1 1 1 3   104 0  o 53.800  4.0333  1610.66    233.311  1781.11    323.160  1425.09    337.188  56.019  5.3928  49.575  6.4313  6.443958       8.393096  
1 1 1 3   104 1  o 70.581  3.3039  2738.17    252.568  2611.89    371.158  2847.07    344.680  68.091  5.0690  71.403  4.4795  -3.311913      6.764657  
1 1 1 3   104 2  o 50.101  4.3086  1403.36    231.530  1552.96    335.214  1266.88    320.169  51.955  6.0714  46.661  6.5127  5.294743       8.903773  
1 1 1 3   104 3  o 94.756  3.2543  4933.08    333.993  5012.85    478.163  4857.08    466.721  94.811  4.6564  93.349  4.6161  1.461502       6.556693  
1 1 1 3   104 4  o 46.033  4.6051  1191.76    226.524  962.644    358.676  1343.77    292.164  39.559  8.6152  48.463  5.6734  -8.904182      10.31549  
1 1 1 3   104 5  o 60.451  4.0080  2031.57    260.931  2181.32    390.444  1910.71    350.761  61.738  5.9113  57.876  5.6683  3.861317       8.189757  
1 1 1 3   104 6  o 55.114  4.1893  1694.59    248.208  1698.59    362.118  1691.05    340.881  54.217  6.2830  54.298  5.8907  -0.8094025E-01 8.612577  
1 1 1 3   105 0  f 48.397  4.5269  1314.03    234.539  1313.97    412.042  1314.06    285.260  46.495  8.4951  47.969  5.5957  -1.473480      10.17240  
1 1 1 3   105 1  o 28.861  6.6890  495.669    205.009  393.042    315.436  570.719    269.747  26.176  9.0940  30.587  8.0374  -4.411327      12.13678  
1 1 1 3   105 2  o 87.178  3.2976  4176.93    311.369  4536.23    467.808  3891.16    417.209  89.991  4.8170  83.433  4.6351  6.558449       6.684879  
1 1 1 3   105 3  o 111.429 3.3016  6824.65    398.474  6586.32    579.608  7038.25    548.715  108.487 4.9327  112.448 4.5053  -3.961487      6.680542  
1 1 1 3   105 4  o 42.408  5.2167  1023.51    234.561  1014.76    357.515  1030.12    310.808  40.780  8.3747  41.714  7.1357  -0.9343948     11.00240  
1 1 1 4   0   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   2  o 188.764 5.1958  19345.24   1060.47  19345.24   1060.47  19345.24   1060.47  188.764 5.1958  188.764 5.1958  0.000000       0.000000  
1 1 1 4   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   4  o 193.996 5.2712  20433.12   1105.73  20433.12   1105.73  20433.12   1105.73  193.996 5.2712  193.996 5.2712  0.000000       0.000000  
1 1 1 4   0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   6  o 80.195  3.4553  3502.92    298.858  3502.92    298.858  3502.92    298.858  80.195  3.4553  80.195  3.4553  0.000000       0.000000  
1 1 1 4   0   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   8  o 451.396 10.761  110683.10  5254.51  110683.10  5254.51  110683.10  5254.51  451.396 10.761  451.396 10.761  0.000000       0.000000  
1 1 1 4   0   9  o 625.388 14.674  212549.70  9927.32  212549.70  9927.32  212549.70  9927.32  625.388 14.674  625.388 14.674  0.000000       0.000000  
1 1 1 4   0   10 o 399.334 9.6215  86573.01   4156.02  86573.01   4156.02  86573.01   4156.02  399.334 9.6215  399.334 9.6215  0.000000       0.000000  
1 1 1 4   0   11 o 29.166  1.2707  463.306    39.969   463.306    39.969   463.306    39.969   29.166  1.2707  29.166  1.2707  0.000000       0.000000  
1 1 1 4   0   12 o 141.567 4.4088  10886.83   674.524  10886.83   674.524  10886.83   674.524  141.567 4.4088  141.567 4.4088  0.000000       0.000000  
1 1 1 4   0   13 o 400.568 11.746  87245.64   5086.05  87245.64   5086.05  87245.64   5086.05  400.568 11.746  400.568 11.746  0.000000       0.000000  
1 1 1 4   0   14 o 258.535 9.4351  36385.25   2634.05  36385.25   2634.05  36385.25   2634.05  258.535 9.4351  258.535 9.4351  0.000000       0.000000  
1 1 1 4   0   15 o 200.719 5.5026  21878.84   1194.23  21878.84   1194.23  21878.84   1194.23  200.719 5.5026  200.719 5.5026  0.000000       0.000000  
1 1 1 4   0   16 o 430.315 10.324  100693.50  4805.31  100693.50  4805.31  100693.50  4805.31  430.315 10.324  430.315 10.324  0.000000       0.000000  
1 1 1 4   0   17 o 173.237 4.9986  16304.57   936.143  16304.57   936.143  16304.57   936.143  173.237 4.9986  173.237 4.9986  0.000000       0.000000  
1 1 1 4   0   18 o 262.034 6.7189  37313.39   1904.07  37313.39   1904.07  37313.39   1904.07  262.034 6.7189  262.034 6.7189  0.000000       0.000000  
1 1 1 4   0   19 o 68.599  4.2005  2578.73    309.416  2578.73    309.416  2578.73    309.416  68.599  4.2005  68.599  4.2005  0.000000       0.000000  
1 1 1 4   0   20 o 477.996 11.424  124666.00  5907.04  124666.00  5907.04  124666.00  5907.04  477.996 11.424  477.996 11.424  0.000000       0.000000  
1 1 1 4   0   21 o 356.574 8.7221  69244.40   3363.98  69244.40   3363.98  69244.40   3363.98  356.574 8.7221  356.574 8.7221  0.000000       0.000000  
1 1 1 4   0   22 o 23.857  9.4910  427.326    236.950  427.326    236.950  427.326    236.950  23.857  9.4910  23.857  9.4910  0.000000       0.000000  
1 1 1 4   0   23 o 152.772 4.7734  12698.05   788.097  12698.05   788.097  12698.05   788.097  152.772 4.7734  152.772 4.7734  0.000000       0.000000  
1 1 1 4   0   24 o 185.056 5.7556  18661.54   1151.10  18661.54   1151.10  18661.54   1151.10  185.056 5.7556  185.056 5.7556  0.000000       0.000000  
1 1 1 4   0   25 o 72.276  3.1852  2849.57    248.242  2849.57    248.242  2849.57    248.242  72.276  3.1852  72.276  3.1852  0.000000       0.000000  
1 1 1 4   0   26 o 29.495  8.5596  581.104    237.318  581.104    237.318  581.104    237.318  29.495  8.5596  29.495  8.5596  0.000000       0.000000  
1 1 1 4   0   27 o 114.999 4.2632  7227.31    529.356  7227.31    529.356  7227.31    529.356  114.999 4.2632  114.999 4.2632  0.000000       0.000000  
1 1 1 4   0   28 o 46.767  6.5189  1267.29    311.855  1267.29    311.855  1267.29    311.855  46.767  6.5189  46.767  6.5189  0.000000       0.000000  
1 1 1 4   0   29 o 40.423  7.9268  999.590    308.945  999.590    308.945  999.590    308.945  40.423  7.9268  40.423  7.9268  0.000000       0.000000  
1 1 1 4   0   30 o 42.992  3.1079  1021.75    142.980  1021.75    142.980  1021.75    142.980  42.992  3.1079  42.992  3.1079  0.000000       0.000000  
1 1 1 4   0   31 o 41.712  2.2121  953.311    99.298   953.311    99.298   953.311    99.298   41.712  2.2121  41.712  2.2121  0.000000       0.000000  
1 1 1 4   0   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   0   33 o 33.345  10.768  829.461    343.566  829.461    343.566  829.461    343.566  33.345  10.768  33.345  10.768  0.000000       0.000000  
1 1 1 4   0   34 o 28.233  11.421  689.114    341.443  689.114    341.443  689.114    341.443  28.233  11.421  28.233  11.421  0.000000       0.000000  
1 1 1 4   0   35 f 14.658  9.3489  120.665    328.838  120.665    328.838  120.665    328.838  14.658  9.3489  14.658  9.3489  0.000000       0.000000  
1 1 1 4   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   1   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   1   1  o 378.664 12.939  77882.45   5306.64  0.0000     0.0000   77882.45   5306.64  ?       ?       378.664 12.939  0.000000       12.93884  
1 1 1 4   1   2  o 358.733 8.6926  69791.68   3377.49  66490.38   4776.42  73093.19   4776.56  349.871 12.604  366.881 12.020  -17.01059      17.41732  
1 1 1 4   1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   1   4  o 331.888 5.7371  59701.04   2062.32  57730.17   2916.50  61672.07   2916.63  326.221 8.2543  337.193 7.9861  -10.97189      11.48525  
1 1 1 4   1   5  o 233.831 4.2772  29627.78   1083.24  29983.25   1531.99  29272.37   1531.89  235.162 6.0148  232.354 6.0870  2.807755       8.557439  
1 1 1 4   1   6  o 347.837 5.9837  65607.80   2254.34  64562.45   3188.06  66653.23   3188.17  344.823 8.5361  350.376 8.4011  -5.553406      11.97681  
1 1 1 4   1   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   1   8  o 362.418 7.1560  71215.98   2808.98  72327.70   3440.41  68993.05   4864.93  365.131 8.6994  356.269 12.607  8.861938       15.31759  
1 1 1 4   1   9  o 182.196 3.6688  17981.28   724.001  18657.40   1087.58  17443.19   970.223  185.565 5.4112  179.432 4.9923  6.133026       7.362380  
1 1 1 4   1   10 o 301.502 5.2790  49250.54   1723.89  46852.79   2437.73  51649.12   2438.16  294.000 7.6554  308.695 7.2922  -14.69501      10.57271  
1 1 1 4   1   11 o 354.793 6.0932  68211.93   2341.48  70002.97   3311.46  66421.13   3311.25  359.315 8.5089  349.990 8.7351  9.324646       12.19438  
1 1 1 4   1   12 f 280.636 5.3336  42673.22   1621.19  45510.07   2137.97  38835.16   2486.78  289.766 6.8121  267.607 8.5797  22.15918       10.95517  
1 1 1 4   1   13 o 415.105 7.6267  93431.50   3428.99  99477.43   5307.54  89100.02   4492.41  427.993 11.450  405.167 10.237  22.82544       15.35866  
1 1 1 4   1   14 o 184.434 7.3711  18448.51   1472.46  18448.51   1472.46  0.0000     0.0000   184.434 7.3711  ?       ?       0.000000       7.371083  
1 1 1 4   1   15 o 345.503 7.7409  64781.59   2896.76  68422.59   6757.75  63961.96   3206.27  353.534 17.648  343.224 8.6249  10.31000       19.64302  
1 1 1 4   1   16 o 90.536  2.8472  4440.63    279.196  4513.19    394.364  4367.71    395.323  91.257  3.9899  89.773  4.0657  1.484138       5.696431  
1 1 1 4   1   17 o 303.674 6.7449  50070.27   2218.47  51399.22   2840.58  47992.10   3552.17  307.440 8.5305  296.660 11.055  10.77991       13.96374  
1 1 1 4   1   18 o 264.198 6.0779  37894.39   1739.20  40188.44   2758.77  36381.27   2240.53  271.614 9.3776  258.636 7.9982  12.97852       12.32521  
1 1 1 4   1   19 o 121.276 3.0203  7970.76    396.734  7906.40    556.282  8037.39    565.978  120.742 4.2537  121.737 4.2925  -0.9945450     6.043100  
1 1 1 4   1   20 o 140.300 3.2978  10670.33   501.138  10481.72   729.263  10839.10   689.814  138.976 4.8448  141.346 4.5059  -2.369370      6.616252  
1 1 1 4   1   21 o 199.410 4.1328  21571.93   892.608  21344.81   1193.28  21860.46   1344.97  198.219 5.5581  200.523 6.1927  -2.304276      8.321145  
1 1 1 4   1   22 o 167.566 4.0693  15236.86   738.547  14916.03   990.123  15639.26   1108.86  165.652 5.5185  169.558 6.0379  -3.906219      8.179900  
1 1 1 4   1   23 o 184.333 3.8532  18442.64   769.295  19203.45   1034.76  17502.47   1150.28  187.941 5.0833  179.300 5.9232  8.641479       7.805398  
1 1 1 4   1   24 o 57.268  2.4179  1778.18    149.975  1861.94    297.840  1749.72    173.588  58.311  4.7574  56.796  2.8219  1.515244       5.531300  
1 1 1 4   1   25 o 20.956  6.3401  242.238    156.190  140.683    220.710  344.118    221.063  19.432  7.4635  24.912  7.5440  -5.479994      10.61209  
1 1 1 4   1   26 o 203.588 3.9515  22591.60   871.324  21144.97   1230.37  24047.04   1234.11  196.240 5.7887  209.441 5.4403  -13.20137      7.943909  
1 1 1 4   1   27 o 81.661  2.9037  3628.20    256.822  3581.59    360.747  3676.10    365.707  80.839  4.1340  81.901  4.1360  -1.061882      5.847780  
1 1 1 4   1   28 o 32.191  1.9473  564.708    67.573   691.035    288.402  557.371    69.508   34.338  7.9166  31.973  2.0175  2.365026       8.169586  
1 1 1 4   1   29 o 52.363  3.8370  1511.62    216.099  1315.74    287.542  1765.84    327.577  48.342  5.5951  56.137  5.4566  -7.794903      7.815369  
1 1 1 4   1   30 o 80.119  2.5517  3501.11    221.432  3580.12    319.725  3428.27    306.967  80.717  3.6571  79.008  3.5871  1.708710       5.122718  
1 1 1 4   1   31 o 40.027  9.4639  1006.55    403.832  1076.35    596.750  947.587    548.503  39.835  12.456  37.733  11.961  2.102047       17.26867  
1 1 1 4   1   32 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   1   33 o 15.503  7.3431  -280.0421  328.766  -519.4067  406.539  172.371    558.907  15.718  7.6282  24.503  10.802  -8.784421      13.22397  
1 1 1 4   1   34 o 17.461  7.2863  108.627    229.457  165.803    322.876  50.286     326.150  20.188  8.5465  18.585  8.2194  1.603205       11.85752  
1 1 1 4   1   35 o 5.0864  2.4214  -45.5304   36.649   -48.6552   36.876   205.072    330.243  5.0294  2.4038  20.433  8.6464  -15.40330      8.974317  
1 1 1 4   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   3  o 171.170 3.4245  15871.00   634.880  15627.13   897.817  16114.92   897.894  169.828 4.8810  172.460 4.8069  -2.631500      6.850584  
1 1 1 4   2   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   5  o 443.890 15.030  107490.30  7226.01  0.0000     0.0000   107490.30  7226.01  ?       ?       443.890 15.030  0.000000       15.02979  
1 1 1 4   2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   2   7  o 80.207  2.4399  3484.57    211.957  3383.03    299.904  3585.89    299.602  79.022  3.5040  81.358  3.4000  -2.335648      4.882395  
1 1 1 4   2   8  o 419.082 8.1895  95260.27   3717.27  92714.07   6438.48  96533.37   4552.71  412.774 14.401  421.716 9.9674  -8.941406      17.51413  
1 1 1 4   2   9  o 685.020 22.740  256382.50  16871.72 256382.50  16871.72 0.0000     0.0000   685.020 22.740  ?       ?       0.000000       22.73977  
1 1 1 4   2   10 o 455.145 7.6132  112288.30  3753.07  118261.20  5307.86  106316.40  5307.43  466.902 10.496  442.652 11.070  24.24994       15.25494  
1 1 1 4   2   11 f 712.993 11.633  275927.41  8983.71  285518.31  12705.03 266337.00  12704.73 724.510 16.191  699.640 16.766  24.87024       23.30708  
1 1 1 4   2   12 o 290.705 5.1302  45788.50   1615.32  45889.58   2284.39  45687.41   2284.44  290.955 7.2489  290.313 7.2651  0.6422729      10.26300  
1 1 1 4   2   13 o 579.365 9.5744  182135.41  6008.06  183904.09  8496.96  180367.00  8496.39  581.612 13.488  575.970 13.620  5.642273       19.16847  
1 1 1 4   2   14 o 461.736 15.602  116221.80  7802.75  116221.80  7802.75  0.0000     0.0000   461.736 15.602  ?       ?       0.000000       15.60212  
1 1 1 4   2   15 o 212.333 4.6612  24434.62   1071.98  25962.69   1856.04  23669.72   1313.15  218.720 7.8348  208.940 5.8026  9.780533       9.749588  
1 1 1 4   2   16 o 307.146 5.3912  51156.61   1793.51  51020.21   2536.19  51293.04   2536.62  306.533 7.6390  307.354 7.6199  -0.8205566     10.78963  
1 1 1 4   2   17 o 308.413 5.4192  51598.01   1810.24  51857.90   2559.91  51338.05   2560.24  308.933 7.6505  307.375 7.6903  1.557648       10.84761  
1 1 1 4   2   18 o 279.050 4.9788  42240.26   1504.79  42161.67   2127.88  42318.88   2128.31  278.557 7.0528  279.077 7.0411  -0.5203857     9.965898  
1 1 1 4   2   19 o 325.772 5.6742  57619.60   2002.13  55650.79   2830.95  59589.75   2831.92  319.723 8.1750  330.901 7.9015  -11.17865      11.36948  
1 1 1 4   2   20 o 411.598 6.9609  92144.04   3103.19  88069.71   4388.01  96220.45   4389.13  401.441 10.092  419.767 9.6538  -18.32663      13.96584  
1 1 1 4   2   21 o 174.670 3.5847  16544.12   678.167  16453.40   958.874  16634.91   959.271  174.075 5.0857  175.035 5.0599  -0.9598999     7.174109  
1 1 1 4   2   22 o 205.154 3.9680  22836.96   881.708  22205.35   1246.44  23469.55   1247.41  202.090 5.6945  207.785 5.5427  -5.694778      7.946657  
1 1 1 4   2   23 o 150.547 3.3982  12295.40   554.096  12076.21   810.541  12487.70   759.198  149.045 5.0210  151.607 4.6235  -2.561951      6.825432  
1 1 1 4   2   24 o 118.319 3.0548  7595.72    391.475  7845.78    552.848  7344.25    554.412  120.144 4.2485  116.225 4.4042  3.919243       6.119324  
1 1 1 4   2   25 o 90.990  2.9384  4494.93    289.583  4393.39    407.022  4599.02    412.088  89.840  4.1829  91.924  4.1390  -2.083321      5.884517  
1 1 1 4   2   26 o 134.017 3.1541  9766.79    457.839  8846.04    644.072  10707.30   650.946  127.231 4.6738  140.077 4.2905  -12.84577      6.344531  
1 1 1 4   2   27 f 95.906  2.6628  5000.81    276.601  4863.88    391.211  5137.69    391.134  94.387  3.8267  97.028  3.7218  -2.641518      5.338159  
1 1 1 4   2   28 o 79.359  3.1285  3433.87    268.907  3088.06    366.667  3836.31    395.558  74.844  4.5447  83.496  4.3894  -8.651886      6.318279  
1 1 1 4   2   29 o 67.957  2.7705  2517.69    203.924  2566.05    236.707  2378.48    401.622  68.533  3.1889  65.108  5.7545  3.424622       6.578991  
1 1 1 4   2   30 o 23.914  8.6640  295.748    288.948  510.436    448.966  143.948    377.525  30.070  10.813  22.773  9.4112  7.297153       14.33495  
1 1 1 4   2   31 o 16.404  7.6405  -243.7989  330.952  -292.4669  434.692  -176.6868  510.458  18.792  8.7538  21.591  9.8488  -2.799562      13.17682  
1 1 1 4   2   32 f 40.120  2.2385  881.639    96.885   996.647    346.079  871.859    100.921  40.129  8.2384  39.874  2.3472  0.2552490      8.566279  
1 1 1 4   2   33 o 53.076  7.2482  1736.90    405.781  1816.18    499.776  1583.53    695.117  52.549  9.1112  43.931  13.394  8.617950       16.19915  
1 1 1 4   2   34 o ?       ?       -381.0266  34.656   -385.9124  34.811   165.357    368.126  ?       ?       20.860  8.9856  0.000000       8.985559  
1 1 1 4   2   35 o 29.771  8.2484  630.778    275.137  1005.35    453.780  413.022    345.989  34.482  10.874  24.081  9.3187  10.40157       14.32058  
1 1 1 4   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   3  o 256.909 4.5945  35759.77   1278.47  35608.87   1808.06  35910.66   1808.01  256.308 6.5130  257.393 6.4854  -1.084808      9.191236  
1 1 1 4   3   4  o 306.266 5.3236  50833.75   1765.93  50121.69   2497.43  51545.78   2497.38  303.999 7.5849  308.294 7.4791  -4.294739      10.65213  
1 1 1 4   3   5  o 157.202 3.2345  13387.78   550.729  13508.78   778.932  13266.82   778.765  157.884 4.5550  156.463 4.5954  1.421295       6.470397  
1 1 1 4   3   6  o 505.361 17.021  139752.41  9316.73  0.0000     0.0000   139752.41  9316.73  ?       ?       505.361 17.021  0.000000       17.02126  
1 1 1 4   3   7  o 289.810 5.0985  45521.97   1600.38  47232.38   2263.48  43812.15   2263.09  295.093 7.0818  284.191 7.3523  10.90237       10.20824  
1 1 1 4   3   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   9  o 583.241 12.469  184707.41  7876.51  190174.09  12240.57 180844.30  10289.81 590.753 19.130  576.541 16.478  14.21204       25.24879  
1 1 1 4   3   10 o 758.905 14.374  312912.00  11814.78 308111.19  20463.58 315312.50  14470.17 750.556 25.173  761.206 17.551  -10.65033      30.68708  
1 1 1 4   3   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   3   12 o 152.155 3.2146  12539.91   529.762  12342.47   749.024  12737.54   749.370  150.937 4.5817  153.335 4.5122  -2.397614      6.430542  
1 1 1 4   3   13 o 609.486 10.617  201658.41  7008.43  206339.70  9157.48  195039.91  10888.63 616.022 13.725  598.317 16.802  17.70496       21.69550  
1 1 1 4   3   14 o 321.208 7.9299  55970.27   2758.83  55970.27   2758.83  0.0000     0.0000   321.208 7.9299  ?       ?       0.000000       7.929901  
1 1 1 4   3   15 o 106.722 3.3441  6170.51    386.547  5460.07    666.022  6531.37    474.672  100.154 6.1698  109.789 3.9918  -9.635269      7.348475  
1 1 1 4   3   16 o 417.906 7.0886  94796.00   3208.53  94038.30   4537.30  95553.86   4537.80  415.749 10.076  419.101 9.9967  -3.351990      14.19378  
1 1 1 4   3   17 o 481.695 8.0741  126125.10  4212.47  120971.60  5956.84  131280.30  5957.83  470.797 11.682  490.596 11.212  -19.79935      16.19202  
1 1 1 4   3   18 o 135.098 3.1991  9890.94    468.113  10630.59   632.403  8994.51    696.211  140.025 4.1698  128.767 4.9919  11.25763       6.504359  
1 1 1 4   3   19 o 99.932  2.8906  5411.69    312.863  5186.51    441.064  5639.73    443.861  97.796  4.1640  101.984 4.0183  -4.188217      5.786698  
1 1 1 4   3   20 o 224.200 4.2098  27264.71   1022.27  26469.66   1445.06  28061.17   1446.35  220.721 6.0447  227.280 5.8755  -6.559143      8.429655  
1 1 1 4   3   21 f 156.042 3.6373  13204.03   614.737  13328.52   803.030  13027.81   955.436  156.702 4.7314  154.845 5.6968  1.857071       7.405376  
1 1 1 4   3   22 o 183.245 3.6922  18215.26   732.812  17879.64   1035.62  18551.82   1037.09  181.392 5.2712  184.781 5.1819  -3.388855      7.391746  
1 1 1 4   3   23 o 110.078 2.9283  6570.68    349.133  6678.94    493.336  6462.06    494.163  110.912 4.1067  109.091 4.1823  1.820869       5.861447  
1 1 1 4   3   24 o 45.382  3.8359  1126.59    186.781  1112.39    259.772  1141.78    268.752  44.861  5.4588  45.438  5.5780  -0.5774918     7.804644  
1 1 1 4   3   25 o 52.304  3.3983  1492.78    191.473  1623.04    264.211  1348.70    277.874  54.397  4.5255  49.430  5.2716  4.967484       6.947627  
1 1 1 4   3   26 o 125.536 3.1255  8569.29    424.976  8847.30    586.904  8262.85    616.176  127.336 4.2555  122.975 4.6261  4.361450       6.285701  
1 1 1 4   3   27 o 11.881  5.2746  -46.6216   135.572  41.656     182.868  -154.3529  202.015  15.813  6.5438  13.169  6.0764  2.644258       8.929967  
1 1 1 4   3   28 o 35.901  4.9950  722.980    188.964  704.144    246.114  750.031    294.932  34.963  6.7435  35.816  7.8218  -0.8533058     10.32747  
1 1 1 4   3   29 o 21.539  1.6452  253.286    38.090   254.355    38.370   181.115    315.415  21.583  1.6540  22.259  8.8127  -0.6760464     8.966589  
1 1 1 4   3   30 o 66.357  5.1652  2468.05    368.310  2545.19    551.655  2406.01    494.721  65.969  7.8764  64.506  7.2039  1.462967       10.67399  
1 1 1 4   3   31 o 55.573  5.8574  1768.10    347.258  1903.87    526.348  1663.46    462.096  55.762  9.0232  52.446  8.4198  3.315987       12.34144  
1 1 1 4   3   32 o 38.578  6.6370  884.185    267.320  1023.02    344.584  674.333    423.641  40.752  8.0923  32.163  10.540  8.588219       13.28824  
1 1 1 4   3   33 o 15.287  2.9837  133.484    47.630   -254.5011  409.213  138.813    47.956   17.768  8.3470  15.605  2.9453  2.163157       8.851337  
1 1 1 4   3   34 o 27.306  2.9162  419.378    84.913   902.450    449.979  401.541    86.467   33.654  10.851  26.667  3.0484  6.986103       11.27139  
1 1 1 4   3   35 o 7.3439  2.9527  15.259     35.956   472.935    426.910  11.990     36.084   25.152  10.152  7.1822  2.9322  17.97000       10.56744  
1 1 1 4   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   4   0  o 270.005 5.6386  39502.93   1648.98  34947.87   2856.43  41779.71   2019.47  253.789 10.392  277.644 6.7155  -23.85486      12.37265  
1 1 1 4   4   1  o 203.455 3.8185  22422.89   841.451  23943.61   1190.13  20902.87   1189.86  210.216 5.2271  196.408 5.5933  13.80843       7.655508  
1 1 1 4   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   4   3  o 231.789 4.2402  29106.97   1064.52  29215.34   1505.43  28998.59   1505.47  232.175 5.9865  231.312 6.0091  0.8635559      8.482166  
1 1 1 4   4   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   4   5  o 165.215 3.5221  14788.30   630.262  14748.35   848.402  14837.50   941.500  164.964 4.7484  165.447 5.2540  -0.4838257     7.081764  
1 1 1 4   4   6  o 306.173 5.3643  50818.43   1778.90  50648.45   2515.78  50988.40   2515.72  305.501 7.6031  306.527 7.5774  -1.025665      10.73426  
1 1 1 4   4   7  o 163.376 3.4732  14460.30   614.597  14847.15   828.388  13986.63   916.639  165.523 4.6207  160.639 5.2684  4.884186       7.007602  
1 1 1 4   4   8  o 229.454 4.8437  28527.16   1203.77  28692.74   1481.95  28206.01   2063.85  230.088 5.9466  228.040 8.3560  2.047852       10.25595  
1 1 1 4   4   9  o 721.787 23.941  284869.50  18716.54 284869.50  18716.54 0.0000     0.0000   721.787 23.941  ?       ?       0.000000       23.94123  
1 1 1 4   4   10 o 289.151 5.0655  45296.63   1586.42  48864.67   2243.87  41730.71   2243.21  300.272 6.8994  277.471 7.4642  22.80099       10.16444  
1 1 1 4   4   11 o 258.861 4.9427  36303.77   1385.81  33691.37   2119.68  38253.96   1831.43  249.295 7.8503  265.687 6.3643  -16.39160      10.10599  
1 1 1 4   4   12 o 551.850 9.1510  165180.70  5469.64  161358.80  7735.04  169002.91  7735.43  544.983 13.104  557.783 12.804  -12.79962      18.32114  
1 1 1 4   4   13 o 957.834 31.957  507781.50  33153.64 0.0000     0.0000   507781.50  33153.64 ?       ?       957.834 31.957  0.000000       31.95735  
1 1 1 4   4   14 o 557.738 13.096  169255.20  7911.05  169255.20  7911.05  0.0000     0.0000   557.738 13.096  ?       ?       0.000000       13.09586  
1 1 1 4   4   15 o 116.232 3.3347  7319.15    419.811  7339.39    732.343  7309.25    512.349  116.346 5.8116  116.142 4.0729  0.2038956      7.096697  
1 1 1 4   4   16 o 147.772 3.2828  11831.45   525.419  11303.84   718.208  12438.96   770.671  144.405 4.5919  151.479 4.6973  -7.073700      6.568893  
1 1 1 4   4   17 o 281.451 5.0205  42961.04   1530.45  43407.75   2164.08  42514.08   2164.69  282.710 7.0674  279.776 7.1436  2.933960       10.04883  
1 1 1 4   4   18 o 148.102 3.2541  11887.00   521.986  12112.36   737.334  11660.58   739.070  149.448 4.5552  146.630 4.6536  2.818100       6.511988  
1 1 1 4   4   19 f 13.334  2.8141  100.006    39.364   85.446     40.071   501.701    210.472  12.313  3.0262  29.799  6.6856  -17.48621      7.338582  
1 1 1 4   4   20 o 323.243 6.0673  56771.89   2124.19  55739.95   3269.43  57525.71   2794.32  319.543 9.4465  325.001 7.9382  -5.458344      12.33903  
1 1 1 4   4   21 o 122.533 3.0676  8138.88    407.121  7662.56    580.448  8600.10    571.175  118.827 4.5100  125.905 4.1885  -7.077667      6.154962  
1 1 1 4   4   22 o 44.695  2.1921  1082.46    106.116  1055.34    115.070  1236.63    274.372  44.062  2.4204  47.391  5.4442  -3.328945      5.957976  
1 1 1 4   4   23 o 289.966 5.1617  45719.30   1621.11  47013.20   2292.16  44424.42   2293.03  293.475 7.2111  285.214 7.4228  8.261444       10.34886  
1 1 1 4   4   24 o 116.872 3.0242  7411.00    382.822  6666.05    536.659  8182.82    546.252  110.720 4.4751  122.710 4.1100  -11.99065      6.076076  
1 1 1 4   4   25 f 78.226  2.5652  3320.34    217.339  3235.30    274.135  3464.23    356.608  77.170  3.2798  79.672  4.1468  -2.501945      5.287079  
1 1 1 4   4   26 o 67.847  2.5198  2499.51    185.167  2685.80    315.161  2401.31    228.826  70.046  4.1730  66.449  3.1794  3.597771       5.246232  
1 1 1 4   4   27 o 66.274  3.0388  2390.92    218.134  2565.63    304.904  2207.74    312.202  68.382  4.1362  63.319  4.5833  5.063473       6.173712  
1 1 1 4   4   28 o 65.173  3.7628  2330.61    264.487  2558.55    358.431  2058.13    391.887  67.997  4.8996  60.596  6.0519  7.400806       7.786651  
1 1 1 4   4   29 o 65.216  3.0658  2322.21    216.554  2306.73    242.029  2384.32    484.917  64.837  3.4590  64.637  7.0405  0.2004929      7.844255  
1 1 1 4   4   30 o 9.0995  2.5122  46.522     25.572   -520.6671  427.397  48.560     25.618   16.966  8.1288  9.2808  2.4948  7.685035       8.502992  
1 1 1 4   4   31 o 22.185  7.6362  272.486    222.163  330.561    305.667  207.453    323.460  24.655  8.9144  22.465  8.9149  2.189907       12.60719  
1 1 1 4   4   32 o 39.370  1.5499  842.800    66.090   875.159    67.357   6.6354     342.394  40.119  1.5501  19.476  8.5240  20.64240       8.663819  
1 1 1 4   4   33 o 47.246  5.6325  1315.44    282.547  1267.06    365.232  1387.54    445.897  44.780  7.8146  45.547  9.3518  -0.7668076     12.18704  
1 1 1 4   4   34 o 20.084  8.7390  122.922    355.326  135.540    423.415  92.876     653.365  21.264  9.3867  23.507  10.875  -2.242889      14.36578  
1 1 1 4   4   35 o 20.259  8.2645  226.347    286.381  230.583    433.650  223.070    381.376  21.881  9.5843  21.260  9.1519  0.6214008      13.25198  
1 1 1 4   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   5   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   5   2  o 399.152 13.584  86597.80   5872.47  0.0000     0.0000   86597.80   5872.47  ?       ?       399.152 13.584  0.000000       13.58352  
1 1 1 4   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   5   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   5   5  o 300.400 5.2841  48915.59   1719.26  46742.33   2431.38  51088.94   2431.42  293.499 7.6485  306.868 7.3154  -13.36884      10.58368  
1 1 1 4   5   6  o 468.478 9.0965  119205.00  4615.63  118826.00  5652.90  119963.10  7994.73  467.385 11.167  468.592 15.752  -1.207611      19.30867  
1 1 1 4   5   7  o 333.976 5.7699  60465.45   2087.16  59505.94   2951.66  61425.02   2951.73  331.143 8.2296  336.451 8.1000  -5.308136      11.54714  
1 1 1 4   5   8  o 81.366  2.4581  3585.76    216.623  3518.54    306.353  3652.99    306.350  80.594  3.5095  82.120  3.4443  -1.525887      4.917311  
1 1 1 4   5   9  o 346.113 7.0034  64928.00   2625.40  61903.18   3712.78  67953.14   3712.97  337.802 10.148  353.952 9.6852  -16.14960      14.02776  
1 1 1 4   5   10 o 601.705 10.608  196415.50  6913.23  194810.30  9032.75  198685.41  10741.31 598.858 13.926  604.427 16.408  -5.569702      21.52068  
1 1 1 4   5   11 o 73.197  1.9902  2901.70    157.779  3184.71    238.094  2680.11    210.680  76.680  2.8668  70.344  2.7652  6.336304       3.983050  
1 1 1 4   5   12 o 377.670 6.4300  77303.95   2630.25  81559.54   3719.94  73049.29   3719.53  387.792 8.8566  366.972 9.3581  20.82040       12.88459  
1 1 1 4   5   13 o 328.326 6.4341  58430.78   2288.03  56575.42   3960.78  59360.00   2803.03  322.767 11.330  330.856 7.8220  -8.088287      13.76762  
1 1 1 4   5   14 o 199.857 4.3765  21642.70   947.355  21559.27   1159.32  21810.37   1643.57  199.445 5.3667  200.524 7.5675  -1.078979      9.277298  
1 1 1 4   5   15 o 304.306 6.9541  50235.16   2292.02  54521.09   5273.26  49236.87   2544.99  315.960 15.409  301.200 7.8012  14.76041       17.27133  
1 1 1 4   5   16 o 336.489 6.8640  61450.40   2501.62  62849.95   3538.07  60051.24   3537.57  339.946 9.6092  332.258 9.8302  7.687836       13.74658  
1 1 1 4   5   17 o 153.451 3.4001  12760.55   565.116  13905.26   771.014  11431.72   830.709  160.148 4.4450  145.173 5.2831  14.97510       6.904308  
1 1 1 4   5   18 o 174.309 3.5523  16468.35   670.648  16591.90   948.028  16344.58   948.853  174.887 5.0049  173.576 5.0471  1.310822       7.107847  
1 1 1 4   5   19 o 121.032 3.0307  7938.87    397.290  7826.57    561.362  8051.57    562.346  120.128 4.3145  121.845 4.2611  -1.716774      6.064002  
1 1 1 4   5   20 o 233.012 4.5157  29457.27   1139.65  30220.55   1732.77  28875.39   1512.92  235.739 6.7864  230.530 6.0593  5.209641       9.097775  
1 1 1 4   5   21 o 288.704 5.1218  45260.00   1601.58  44970.81   2264.77  45549.31   2265.19  287.388 7.2759  289.240 7.2306  -1.852264      10.25770  
1 1 1 4   5   22 o 288.448 5.3038  45215.17   1657.00  44814.50   2185.53  45756.86   2541.18  286.790 7.0359  289.502 8.1042  -2.712128      10.73235  
1 1 1 4   5   23 o 99.660  2.9893  5386.15    322.674  5336.14    452.464  5437.91    460.297  99.129  4.2142  100.068 4.2469  -0.9386826     5.982924  
1 1 1 4   5   24 o 206.287 3.9581  23119.96   884.354  21660.42   1248.77  24588.37   1252.56  199.305 5.7849  212.432 5.4439  -13.12708      7.943600  
1 1 1 4   5   25 o 25.960  1.3529  366.164    37.909   375.366    38.449   45.289     227.040  26.285  1.3551  17.565  7.2818  8.720549       7.406863  
1 1 1 4   5   26 o 69.315  2.4958  2608.77    187.374  2562.05    318.675  2633.46    231.647  68.379  4.3251  69.595  3.0731  -1.216270      5.305732  
1 1 1 4   5   27 o 41.489  4.6173  954.516    203.964  1046.29    303.654  879.065    275.321  42.930  6.7535  39.287  6.7113  3.643707       9.521150  
1 1 1 4   5   28 o 74.983  3.5199  3071.44    285.867  2973.20    388.453  3187.51    422.206  73.316  4.9203  75.842  5.1706  -2.526108      7.137539  
1 1 1 4   5   29 o 95.304  3.8777  4983.71    400.276  5197.15    510.751  4643.93    644.422  96.839  4.8853  90.670  6.6075  6.169456       8.217341  
1 1 1 4   5   30 o 28.290  2.2900  438.735    69.565   1087.00    312.946  405.038    71.350   43.216  6.9193  27.149  2.4529  16.06676       7.341204  
1 1 1 4   5   31 o 52.040  4.5400  1518.95    253.329  1411.12    347.135  1641.81    370.533  49.176  6.6912  53.158  6.5758  -3.982872      9.381539  
1 1 1 4   5   32 o 28.046  7.4813  482.506    231.448  201.400    316.162  807.105    339.741  21.955  8.7808  35.689  8.8360  -13.73391      12.45704  
1 1 1 4   5   33 o 41.090  6.3923  1021.42    275.238  797.129    353.838  1365.06    437.976  34.255  9.2986  45.238  9.2507  -10.98377      13.11637  
1 1 1 4   5   34 o 43.688  8.6152  1305.15    393.176  1131.68    479.310  1662.00    687.444  37.695  11.035  42.169  13.393  -4.473888      17.35341  
1 1 1 4   5   35 o 15.606  7.4413  -246.5894  349.023  -47.6091   413.142  -742.5883  652.282  18.643  8.6327  18.120  8.9661  0.5227947      12.44647  
1 1 1 4   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   6   4  o 324.968 5.7014  57241.84   2006.74  54740.14   2838.02  59743.33   2837.89  317.631 8.2494  331.856 7.8954  -14.22452      11.41886  
1 1 1 4   6   5  o 316.278 5.5326  54228.92   1895.24  54214.09   2680.36  54243.75   2680.20  316.069 7.8296  316.156 7.8270  -0.8670044E-01 11.07091  
1 1 1 4   6   6  o 572.083 19.195  179540.09  11893.99 0.0000     0.0000   179540.09  11893.99 ?       ?       572.083 19.195  0.000000       19.19544  
1 1 1 4   6   7  o 314.632 5.4816  53657.82   1868.01  55381.88   2641.88  51934.07   2641.64  319.514 7.6340  309.391 7.8831  10.12314       10.97367  
1 1 1 4   6   8  f 348.943 5.9737  65989.96   2257.71  65449.42   3192.83  66530.53   3192.94  347.377 8.4860  350.238 8.4170  -2.861603      11.95235  
1 1 1 4   6   9  o 854.015 28.309  400213.81  26185.87 0.0000     0.0000   400213.81  26185.87 ?       ?       854.015 28.309  0.000000       28.30943  
1 1 1 4   6   10 o 475.914 7.9695  122781.20  4107.98  122361.30  5809.53  123201.20  5809.59  474.859 11.296  476.490 11.257  -1.630280      15.94704  
1 1 1 4   6   11 o 474.936 7.9536  122285.90  4091.35  119316.90  5785.88  125255.20  5786.20  468.871 11.393  480.422 11.120  -11.55103      15.92034  
1 1 1 4   6   12 o 241.253 4.4016  31531.53   1150.16  31405.26   1626.37  31657.86   1626.77  240.726 6.2377  241.692 6.2143  -0.9668427     8.804943  
1 1 1 4   6   13 o 281.166 5.7646  42843.28   1755.52  44927.57   3038.43  41798.86   2150.84  287.730 9.7498  277.664 7.1519  10.06622       12.09160  
1 1 1 4   6   14 o 529.529 11.357  152401.41  6513.61  143962.20  8502.91  164387.41  10133.38 513.909 15.276  548.718 17.050  -34.80890      22.89267  
1 1 1 4   6   15 o 407.753 9.0606  90305.77   4001.52  89277.27   6244.24  91022.46   5212.48  404.547 14.251  408.954 11.768  -4.407135      18.48163  
1 1 1 4   6   16 o 685.582 11.286  256051.00  8380.18  258850.30  11851.12 253251.59  11851.59 687.317 15.920  679.754 16.097  7.562561       22.63977  
1 1 1 4   6   17 o 227.207 4.5023  27989.42   1107.96  27461.49   1471.23  28681.13   1684.05  224.949 6.0385  229.828 6.7652  -4.879211      9.068132  
1 1 1 4   6   18 o 170.351 3.5013  15728.82   646.022  15098.87   913.316  16359.59   913.911  166.829 5.0545  173.666 4.8587  -6.836792      7.011045  
1 1 1 4   6   19 o 406.865 7.3729  90037.75   3249.05  93024.75   5025.17  87892.15   4259.00  412.374 11.251  401.323 9.7981  11.05142       14.91935  
1 1 1 4   6   20 o 107.747 2.9576  6292.10    345.158  6300.47    488.904  6283.77    487.353  107.776 4.1882  107.633 4.1805  0.1426239      5.917579  
1 1 1 4   6   21 o 272.659 5.0566  40366.75   1493.32  40136.44   1972.71  40675.85   2285.37  271.610 6.7057  273.224 7.7227  -1.613586      10.22774  
1 1 1 4   6   22 o 27.583  1.5627  413.473    46.493   509.435    228.348  409.323    47.488   29.980  7.1353  27.441  1.6047  2.539213       7.313531  
1 1 1 4   6   23 o 89.197  2.9808  4314.59    287.976  4919.95    404.731  3693.86    409.836  95.202  3.9251  82.325  4.6149  12.87653       6.058365  
1 1 1 4   6   24 o 158.549 3.3963  13646.03   583.222  13105.07   823.220  14191.17   826.391  155.174 4.8981  161.504 4.7242  -6.330063      6.805129  
1 1 1 4   6   25 o 88.160  2.7047  4218.22    258.260  4039.25    337.850  4469.81    400.579  86.195  3.6189  90.624  4.0811  -4.429657      5.454476  
1 1 1 4   6   26 o 50.165  2.0449  1365.25    111.107  1231.91    255.082  1396.47    123.431  47.174  5.0720  50.726  2.2466  -3.551849      5.547306  
1 1 1 4   6   27 o 73.581  3.2967  2950.05    262.731  3131.48    381.649  2786.62    362.227  75.435  4.6944  71.135  4.7283  4.299477       6.662936  
1 1 1 4   6   28 o 43.026  6.8525  1058.67    308.629  1083.38    466.830  1039.49    411.349  42.387  10.275  41.808  9.3218  0.5788383      13.87363  
1 1 1 4   6   29 o 59.198  5.4783  1963.08    347.275  1846.18    520.134  2057.11    466.478  55.932  8.8828  59.843  7.3515  -3.910583      11.53034  
1 1 1 4   6   30 o 26.339  7.4180  410.636    220.630  273.660    302.537  566.239    322.452  23.634  8.8131  30.585  9.0775  -6.950785      12.65191  
1 1 1 4   6   31 o 21.346  2.3644  251.647    53.747   246.539    54.469   440.548    331.214  21.115  2.4258  27.328  9.3264  -6.213209      9.636670  
1 1 1 4   6   32 f 44.323  5.2592  1126.87    247.549  1319.78    339.577  908.075    361.638  47.156  6.8489  37.813  8.9661  9.342834       11.28270  
1 1 1 4   6   33 o 34.542  6.7478  735.814    243.400  470.184    332.685  1041.76    357.043  26.794  9.3376  39.943  8.5133  -13.14862      12.63595  
1 1 1 4   6   34 o ?       ?       -345.9535  53.410   -364.2241  53.829   815.372    429.157  ?       ?       32.216  10.611  0.000000       10.61090  
1 1 1 4   6   35 o 18.682  8.4065  47.549     356.877  -145.5644  425.182  507.969    656.518  17.977  8.4648  25.894  11.545  -7.916912      14.31559  
1 1 1 4   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   7   0  o 88.544  2.4421  4246.26    234.200  3769.75    331.041  4723.74    331.377  83.422  3.6638  93.385  3.2762  -9.963303      4.914979  
1 1 1 4   7   1  o 311.398 7.6782  52574.17   2589.67  50031.48   3662.23  55117.16   3662.46  303.581 11.138  318.673 10.611  -15.09177      15.38327  
1 1 1 4   7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   7   5  o 73.836  2.2147  2952.95    177.117  2748.17    267.972  3111.81    236.020  71.221  3.4738  75.792  2.8751  -4.570641      4.509301  
1 1 1 4   7   6  o 409.729 6.9537  91067.91   3085.92  91553.52   4364.24  90582.34   4364.07  410.478 9.8163  408.287 9.8686  2.190155       13.91940  
1 1 1 4   7   7  o 367.374 7.2774  73200.51   2895.70  71961.52   3546.60  75678.00   5015.18  364.107 8.9932  373.002 12.414  -8.894958      15.32906  
1 1 1 4   7   8  o 230.660 4.2546  28823.48   1062.93  28921.29   1503.20  28725.67   1503.22  231.008 6.0079  230.225 6.0284  0.7831573      8.510902  
1 1 1 4   7   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   7   10 o 468.861 7.8683  119166.30  3995.71  120017.30  5650.78  118315.40  5650.79  470.305 11.093  466.952 11.173  3.352966       15.74466  
1 1 1 4   7   11 o 841.953 27.921  388998.69  25461.37 0.0000     0.0000   388998.69  25461.37 ?       ?       841.953 27.921  0.000000       27.92054  
1 1 1 4   7   12 o 223.640 4.0832  27094.17   989.049  28122.20   1400.38  26070.96   1397.08  227.810 5.6755  219.339 5.8808  8.470428       8.172802  
1 1 1 4   7   13 o 429.723 8.2855  100155.90  3856.34  95729.84   6677.46  102370.80  4723.71  419.439 14.698  434.295 10.042  -14.85553      17.80144  
1 1 1 4   7   14 o 339.496 6.7593  62499.09   2485.47  62898.94   3043.69  61698.80   4306.04  340.472 8.2537  336.867 11.802  3.604126       14.40161  
1 1 1 4   7   15 o 431.932 10.318  101426.10  4827.05  110113.60  6827.02  92741.35   6825.94  449.315 14.028  412.074 15.294  37.24011       20.75330  
1 1 1 4   7   16 o 195.565 3.7895  20725.99   802.676  20483.19   1135.03  20968.90   1135.28  194.349 5.3920  196.643 5.3304  -2.293777      7.582016  
1 1 1 4   7   17 o 241.559 4.4101  31635.87   1153.82  32136.18   1631.79  31135.60   1631.70  243.328 6.1916  239.501 6.2902  3.826630       8.826208  
1 1 1 4   7   18 o 219.437 4.1435  26107.98   984.790  25983.95   1392.54  26232.07   1392.86  218.784 5.8766  219.829 5.8500  -1.044418      8.291929  
1 1 1 4   7   19 o 167.842 3.4849  15270.90   633.514  15716.83   896.140  14825.40   895.708  170.196 4.8613  165.290 5.0032  4.906342       6.976020  
1 1 1 4   7   20 o 193.254 4.2258  20258.15   884.523  20689.68   1248.91  19823.85   1252.91  195.151 5.9087  191.008 6.0562  4.142273       8.461061  
1 1 1 4   7   21 o 73.925  3.0046  2962.26    240.574  2663.13    335.569  3278.57    345.075  69.913  4.4547  77.631  4.1188  -7.718002      6.067035  
1 1 1 4   7   22 o 116.693 3.0269  7382.88    382.573  7141.07    538.229  7629.80    543.896  114.698 4.3325  118.564 4.2354  -3.866104      6.058822  
1 1 1 4   7   23 o 70.360  3.1257  2685.04    238.201  2831.68    332.602  2530.64    341.300  72.082  4.2794  68.087  4.6560  3.995331       6.323888  
1 1 1 4   7   24 o 91.530  2.7509  4544.17    272.719  4662.40    358.960  4382.77    419.427  92.662  3.5766  89.786  4.3130  2.876358       5.603050  
1 1 1 4   7   25 o 116.097 2.9952  7319.08    376.631  7397.36    533.895  7241.54    531.388  116.560 4.2290  115.322 4.2543  1.237915       5.998621  
1 1 1 4   7   26 o 24.770  1.4785  333.761    39.485   203.584    251.107  337.061    39.983   21.602  8.0343  24.892  1.4899  -3.289133      8.171292  
1 1 1 4   7   27 o 16.229  7.0910  -40.0977   236.092  207.216    413.179  -159.9917  287.682  25.115  10.040  16.350  7.4332  8.764893       12.49252  
1 1 1 4   7   28 o 18.438  7.8117  28.419     270.087  948.965    416.626  -638.8835  354.719  39.793  9.7444  14.227  6.9534  25.56539       11.97089  
1 1 1 4   7   29 o 49.709  2.0207  1343.00    108.793  735.069    324.327  1420.07    115.484  35.055  8.6056  51.109  2.0862  -16.05436      8.854850  
1 1 1 4   7   30 o 20.862  7.4957  220.926    215.711  147.300    295.227  305.251    315.950  20.970  8.4503  24.504  9.0319  -3.533833      12.36864  
1 1 1 4   7   31 o 66.523  2.6664  2420.36    192.119  2413.18    217.969  2445.37    406.726  66.328  3.0341  65.455  5.7970  0.8725662      6.543036  
1 1 1 4   7   32 o 35.797  6.3924  759.926    238.748  525.086    326.910  1028.35    349.502  28.899  9.2419  40.757  8.2013  -11.85793      12.35613  
1 1 1 4   7   33 o 79.961  2.6476  3522.73    229.295  2903.09    417.173  3790.95    274.474  70.447  5.5114  82.711  3.0639  -12.26405      6.305757  
1 1 1 4   7   34 o 23.128  1.5837  293.423    39.434   261.216    51.860   337.571    60.717   21.673  2.2416  24.650  2.3007  -2.977179      3.212216  
1 1 1 4   7   35 o 39.377  1.9685  852.555    83.957   561.103    453.453  862.901    85.434   26.427  10.534  39.557  2.0005  -13.13021      10.72200  
1 1 1 4   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   3  o 278.538 4.9474  42041.20   1492.55  42261.29   2110.92  41821.18   2110.65  279.182 6.9810  277.723 7.0167  1.459229       9.897878  
1 1 1 4   8   4  f 244.749 4.4706  32459.83   1185.09  32190.39   1676.12  32729.18   1675.83  243.656 6.3512  245.689 6.2976  -2.033188      8.944144  
1 1 1 4   8   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   8   7  o 331.682 5.7267  59631.11   2057.28  60586.42   2909.58  58675.99   2909.29  334.183 8.0385  328.863 8.1677  5.320374       11.45990  
1 1 1 4   8   8  o 610.076 20.322  203212.91  13428.30 203212.91  13428.30 0.0000     0.0000   610.076 20.322  ?       ?       0.000000       20.32202  
1 1 1 4   8   9  o 433.350 7.8887  101800.80  3702.69  103241.70  4849.02  99785.68   5734.41  436.255 10.262  428.729 12.349  7.526123       16.05661  
1 1 1 4   8   10 o 774.679 41.128  334572.19  34385.49 0.0000     0.0000   334572.19  34385.49 ?       ?       774.679 41.128  0.000000       41.12839  
1 1 1 4   8   11 o 402.176 6.8242  87663.63   2972.61  87260.81   4203.92  88066.44   4203.90  401.089 9.6770  402.940 9.6326  -1.850189      13.65399  
1 1 1 4   8   12 o 279.348 4.9171  42279.54   1487.74  43406.64   2105.05  41154.71   2102.93  282.984 6.8680  275.539 7.0464  7.444855       9.839796  
1 1 1 4   8   13 o 399.809 9.5968  86743.81   4155.76  83196.35   5876.60  90292.59   5877.68  391.110 13.873  407.517 13.316  -16.40720      19.22957  
1 1 1 4   8   14 o 223.615 4.1559  27093.08   1006.56  25789.62   1421.33  28404.50   1425.67  218.110 6.0166  228.911 5.7502  -10.80083      8.322490  
1 1 1 4   8   15 o 237.232 7.2138  30536.48   1853.56  31560.70   3179.34  30009.10   2281.39  240.437 12.249  235.052 8.9612  5.385056       15.17709  
1 1 1 4   8   16 o 264.059 4.7613  37801.69   1361.76  39644.66   1925.89  35958.99   1925.74  270.287 6.5786  257.389 6.9078  12.89755       9.539164  
1 1 1 4   8   17 o 311.638 5.8718  52700.95   1981.93  53775.12   2608.67  51234.41   3048.10  314.575 7.6564  306.825 9.1721  7.750061       11.94769  
1 1 1 4   8   18 o 312.672 5.8686  53070.98   1987.42  53464.37   2615.84  52533.84   3056.64  313.558 7.7024  310.567 9.0869  2.990570       11.91213  
1 1 1 4   8   19 f 250.348 4.8416  34005.61   1312.81  33830.98   1737.38  34238.02   2004.27  249.524 6.4285  250.888 7.3758  -1.364288      9.784051  
1 1 1 4   8   20 o 121.646 3.0427  8020.46    400.884  7787.56    564.567  8257.30    569.335  119.814 4.3505  123.379 4.2605  -3.564995      6.089204  
1 1 1 4   8   21 o 128.481 3.1794  8948.97    442.441  8546.55    622.159  9360.70    629.314  125.488 4.5775  131.339 4.4239  -5.850502      6.365878  
1 1 1 4   8   22 o 90.908  2.7227  4479.64    268.081  4410.81    350.817  4576.23    415.613  90.176  3.5919  91.825  4.1789  -1.649277      5.510387  
1 1 1 4   8   23 o 58.660  2.2331  1864.94    141.881  2013.57    161.096  1350.98    299.563  60.948  2.4404  49.500  5.6910  11.44816       6.192134  
1 1 1 4   8   24 o 109.325 2.8856  6484.00    341.681  6209.01    478.633  6769.76    487.919  106.882 4.1346  111.614 4.0361  -4.731628      5.777937  
1 1 1 4   8   25 f 121.407 3.0797  8005.33    404.963  8168.14    578.260  7848.62    567.305  122.458 4.3598  120.038 4.3634  2.419571       6.168238  
1 1 1 4   8   26 o 80.284  2.6601  3501.31    231.311  3343.96    381.310  3592.92    290.961  78.105  4.5269  81.259  3.3059  -3.154671      5.605487  
1 1 1 4   8   27 o 27.493  8.0529  433.156    255.195  911.777    431.708  176.076    316.394  39.180  10.107  22.447  8.8456  16.73295       13.43089  
1 1 1 4   8   28 o 10.200  2.2125  58.733     23.741   -341.3474  416.467  60.038     23.779   18.364  8.5593  10.317  2.1955  8.047518       8.836364  
1 1 1 4   8   29 o 69.708  2.1202  2642.06    160.076  2160.35    373.760  2750.27    177.145  62.061  5.6213  71.096  2.3004  -9.035194      6.073846  
1 1 1 4   8   30 o 57.993  2.1163  1830.53    132.926  1464.04    337.423  1897.86    144.622  50.538  6.3013  59.028  2.2621  -8.490696      6.694983  
1 1 1 4   8   31 o 59.417  2.1366  1924.17    137.500  1419.44    344.142  2020.04    149.992  49.351  6.6039  60.853  2.2757  -11.50219      6.984995  
1 1 1 4   8   32 o 34.516  1.7526  650.237    65.306   578.687    316.909  653.410    66.738   30.199  9.0074  34.595  1.7872  -4.396421      9.182985  
1 1 1 4   8   33 o 26.833  1.7286  394.413    49.971   393.362    50.342   464.917    412.369  26.794  1.7442  26.876  10.230  -0.8233070E-01 10.37806  
1 1 1 4   8   34 o 21.544  2.3586  258.854    54.137   610.314    330.985  249.193    54.876   28.986  9.3024  21.110  2.4454  7.875986       9.618486  
1 1 1 4   8   35 o 16.591  7.7694  -135.7908  349.840  -25.8380   414.474  -408.1895  652.375  18.842  8.6976  19.606  9.5487  -0.7636852     12.91605  
1 1 1 4   8   36 o 27.473  10.672  703.140    455.178  703.140    455.178  0.0000     0.0000   27.473  10.672  ?       ?       0.000000       10.67249  
1 1 1 4   9   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   9   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   9   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   9   4  o 556.843 18.675  169805.80  11263.41 0.0000     0.0000   169805.80  11263.41 ?       ?       556.843 18.675  0.000000       18.67528  
1 1 1 4   9   5  o 196.859 3.7650  20997.65   802.762  20613.10   1135.44  21381.97   1135.12  194.996 5.3761  198.604 5.2770  -3.607178      7.533162  
1 1 1 4   9   6  o 318.953 5.5265  55148.93   1909.19  55542.16   2700.12  54755.78   2699.87  319.927 7.7922  317.649 7.8474  2.277435       11.05896  
1 1 1 4   9   7  o 517.539 8.6462  145334.41  4846.60  145193.50  6854.16  145475.30  6854.09  516.784 12.245  517.287 12.233  -0.5032349     17.30918  
1 1 1 4   9   8  o 310.234 5.4106  52150.89   1818.04  50879.20   2570.86  53423.06   2571.34  306.338 7.7483  313.911 7.5628  -7.573242      10.82737  
1 1 1 4   9   9  o 430.710 7.7009  100557.80  3592.50  98806.11   5562.50  101811.40  4705.50  426.654 12.037  433.245 10.028  -6.591217      15.66679  
1 1 1 4   9   10 o 368.996 6.7993  73790.84   2717.40  73675.51   3565.25  73950.71   4197.72  368.609 8.9301  369.208 10.497  -0.5985107     13.78174  
1 1 1 4   9   11 o 183.163 3.6088  18172.54   715.938  17562.74   1012.19  18783.05   1012.79  180.043 5.1906  186.195 5.0220  -6.152679      7.222404  
1 1 1 4   9   12 o 417.454 7.0351  94465.02   3180.90  97321.88   4499.16  91609.89   4497.78  423.529 9.8079  410.888 10.107  12.64026       14.08328  
1 1 1 4   9   13 o 272.371 6.1190  40209.60   1805.14  38397.74   2335.06  42900.64   2845.74  266.078 8.1025  281.178 9.3442  -15.09998      12.36790  
1 1 1 4   9   14 o 596.059 10.493  193030.30  6774.41  189800.91  8851.95  197595.59  10524.64 590.345 13.844  601.737 16.148  -11.39117      21.27039  
1 1 1 4   9   15 o 335.153 8.2245  60985.37   2985.54  64985.47   4222.58  56986.75   4221.80  345.586 11.281  323.512 12.049  22.07419       16.50552  
1 1 1 4   9   16 o 274.632 4.9271  40893.15   1465.58  41251.81   2072.40  40534.32   2072.90  275.675 6.9408  273.261 7.0037  2.413696       9.860350  
1 1 1 4   9   17 o 134.485 3.2071  9800.54    467.142  10226.15   643.901  9327.61    678.755  137.339 4.3287  131.151 4.7783  6.188324       6.447411  
1 1 1 4   9   18 o 310.592 5.4361  52350.52   1828.74  52088.29   2585.53  52613.05   2586.92  309.489 7.7132  311.050 7.6786  -1.560791      10.88367  
1 1 1 4   9   19 o 85.471  2.6100  3958.39    241.619  3972.83    314.606  3937.62    377.268  85.610  3.3929  85.212  4.0877  0.3982010      5.312331  
1 1 1 4   9   20 o 146.042 3.3126  11561.99   523.986  11793.17   717.531  11297.85   766.998  147.433 4.4934  144.278 4.9082  3.155029       6.654421  
1 1 1 4   9   21 o 108.006 2.9887  6323.22    349.621  6131.35    491.261  6520.14    497.679  106.303 4.2668  109.625 4.1915  -3.322212      5.981126  
1 1 1 4   9   22 o 117.125 2.9602  7437.30    375.528  7837.70    538.874  7059.26    523.607  120.173 4.1401  114.044 4.2390  6.129768       5.925330  
1 1 1 4   9   23 o 190.147 3.9660  19628.89   816.799  19419.18   1091.07  19896.26   1231.99  188.940 5.3316  191.141 5.9509  -2.201889      7.989927  
1 1 1 4   9   24 o 118.641 2.9664  7637.17    381.185  7600.94    539.347  7673.32    538.807  118.246 4.2112  118.811 4.1870  -0.5643082     5.938516  
1 1 1 4   9   25 o 174.296 3.7816  16524.32   713.891  17142.84   966.957  15783.27   1058.42  177.227 5.0374  169.853 5.7532  7.373459       7.646919  
1 1 1 4   9   26 o 59.347  2.7640  1913.80    177.669  1717.12    436.910  1952.77    194.474  55.161  7.5080  59.931  2.9960  -4.769646      8.083672  
1 1 1 4   9   27 o 86.814  3.6633  4112.86    344.451  4881.39    623.230  3774.86    413.314  93.732  6.1735  82.858  4.6239  10.87339       7.713121  
1 1 1 4   9   28 o 23.642  1.6069  304.658    40.904   300.304    277.392  304.755    41.356   24.161  8.5192  23.644  1.6247  0.5169239      8.672776  
1 1 1 4   9   29 f 18.532  1.7904  188.251    35.490   -98.1630   288.283  192.659    35.763   17.007  7.6115  18.751  1.7823  -1.743553      7.817402  
1 1 1 4   9   30 o 24.737  1.5064  333.459    40.168   335.408    40.397   163.248    377.478  24.809  1.5106  23.035  9.4530  1.774313       9.572982  
1 1 1 4   9   31 o 24.134  7.6362  342.377    223.642  103.729    306.212  615.207    327.407  20.246  8.4302  31.421  9.0978  -11.17554      12.40321  
1 1 1 4   9   32 o 32.950  6.8560  654.864    236.714  347.957    322.995  1010.97    347.922  24.887  9.1382  40.350  8.2397  -15.46312      12.30441  
1 1 1 4   9   33 o 83.985  3.6259  3946.77    329.827  3652.10    451.977  4282.43    482.398  79.218  5.2983  85.902  5.2094  -6.684036      7.430350  
1 1 1 4   9   34 o 42.205  5.7660  1084.00    256.681  1043.02    351.430  1130.86    375.799  38.926  8.5676  40.286  8.8541  -1.359226      12.32069  
1 1 1 4   9   35 o 43.753  8.7125  1365.32    398.364  1322.91    484.318  1454.04    700.447  39.945  10.894  36.346  13.438  3.599850       17.29894  
1 1 1 4   9   36 o 29.963  10.996  863.814    467.534  863.814    467.534  0.0000     0.0000   29.963  10.996  ?       ?       0.000000       10.99553  
1 1 1 4   10  0  o 173.905 3.8302  16383.25   721.445  15507.34   882.195  18151.77   1253.54  169.177 4.8145  183.001 6.3243  -13.82440      7.948381  
1 1 1 4   10  1  o 190.785 7.3941  19735.69   1527.91  0.0000     0.0000   19735.69   1527.91  ?       ?       190.785 7.3941  0.000000       7.394078  
1 1 1 4   10  2  o 326.175 7.8720  57701.92   2781.02  48430.60   3932.40  66978.53   3933.52  298.515 12.162  351.227 10.340  -52.71228      15.96377  
1 1 1 4   10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   10  4  o 450.739 15.253  110877.60  7446.56  0.0000     0.0000   110877.60  7446.56  ?       ?       450.739 15.253  0.000000       15.25319  
1 1 1 4   10  5  o 63.051  2.3125  2153.32    157.923  2145.98    223.662  2160.62    223.012  62.851  3.2971  63.067  3.2761  -0.2158546     4.647953  
1 1 1 4   10  6  o 330.756 5.7600  59308.53   2063.48  58295.74   2918.19  60321.33   2918.20  327.739 8.2208  333.396 8.0814  -5.657440      11.52781  
1 1 1 4   10  7  o 312.565 5.4216  52946.37   1835.42  52593.79   2595.62  53298.98   2595.74  311.408 7.6956  313.492 7.6448  -2.083740      10.84732  
1 1 1 4   10  8  o 622.460 11.831  210368.30  7976.38  211461.41  9768.91  208181.80  13815.82 623.680 14.462  617.596 20.654  6.084229       25.21348  
1 1 1 4   10  9  o 520.504 9.2003  146914.00  5186.73  145738.20  8048.76  147749.00  6782.91  517.927 14.348  521.739 12.003  -3.812195      18.70664  
1 1 1 4   10  10 o 346.550 6.4448  65081.79   2419.03  66017.19   3176.47  63790.27   3732.46  348.950 8.4045  342.931 10.049  6.019043       13.10021  
1 1 1 4   10  11 o 471.000 7.9002  120268.60  4030.23  118456.90  5699.36  122080.50  5699.85  467.178 11.264  474.285 11.096  -7.107025      15.81079  
1 1 1 4   10  12 o 403.932 7.7778  88464.21   3402.77  81308.98   5891.46  92046.05   4168.35  386.735 14.065  411.921 9.3429  -25.18524      16.88528  
1 1 1 4   10  13 o 394.960 7.7891  84597.23   3332.06  83996.95   4081.25  85797.22   5770.37  393.415 9.5780  397.204 13.413  -3.789154      16.48152  
1 1 1 4   10  14 o 300.453 5.2216  48926.87   1699.24  47106.45   2401.61  50751.75   2404.55  294.681 7.5246  305.888 7.2577  -11.20746      10.45436  
1 1 1 4   10  15 o 540.828 10.423  159056.70  6105.42  159293.20  7477.33  158583.59  10575.61 540.673 12.769  537.774 18.157  2.898804       22.19685  
1 1 1 4   10  16 o 509.990 9.0823  141421.80  5016.79  130791.50  7781.25  148983.80  6562.94  488.857 14.696  522.785 11.591  -33.92862      18.71664  
1 1 1 4   10  17 o 233.820 4.5719  29644.48   1157.83  29991.17   1535.88  29188.10   1762.20  235.075 6.0323  231.817 7.0184  3.257370       9.254526  
1 1 1 4   10  18 f 180.919 4.0053  17746.14   784.855  16946.45   1107.24  18553.71   1112.68  176.687 5.7859  184.893 5.5562  -8.206085      8.021709  
1 1 1 4   10  19 o 267.446 5.1430  38819.30   1489.79  37067.04   1967.38  41174.70   2280.98  261.107 6.9566  275.081 7.6558  -13.97345      10.34439  
1 1 1 4   10  20 o 132.101 3.2420  9459.63    463.865  9201.31    651.415  9725.35    660.692  130.221 4.6186  133.881 4.5563  -3.660370      6.487749  
1 1 1 4   10  21 o 100.929 2.9628  5521.77    323.883  5272.39    453.908  5780.44    462.285  98.576  4.2514  103.221 4.1350  -4.645470      5.930587  
1 1 1 4   10  22 o 178.539 3.6015  17290.85   696.450  16227.70   982.685  18363.76   987.189  172.804 5.2504  183.861 4.9573  -11.05627      7.220851  
1 1 1 4   10  23 o 115.519 3.0292  7237.41    379.013  6711.38    532.283  7778.42    539.808  111.150 4.4214  119.681 4.1643  -8.531067      6.073749  
1 1 1 4   10  24 o 196.628 3.8766  21006.49   825.598  20857.80   1165.54  21156.22   1169.62  195.608 5.5014  197.007 5.4814  -1.399033      7.766001  
1 1 1 4   10  25 o 244.608 5.2256  32678.81   1384.46  33830.08   1697.02  30387.70   2393.99  248.400 6.3076  233.641 9.4603  14.75993       11.37025  
1 1 1 4   10  26 o 142.523 4.6442  11106.26   716.911  10898.80   1018.00  11310.37   1009.78  140.468 6.6912  143.169 6.5119  -2.701767      9.336813  
1 1 1 4   10  27 o 33.878  2.0736  625.405    75.722   1419.17    448.972  602.165    76.823   49.486  8.6938  33.233  2.1458  16.25377       8.954638  
1 1 1 4   10  28 o 78.969  2.4498  3392.00    209.535  3145.79    397.940  3486.46    246.470  75.407  4.8989  80.000  2.8445  -4.593559      5.664808  
1 1 1 4   10  29 o 125.548 3.2587  8617.54    443.116  8659.31    631.303  8576.98    622.119  125.237 4.6541  124.664 4.6075  0.5730896      6.548986  
1 1 1 4   10  30 o 55.821  2.3290  1697.96    140.809  1779.88    152.603  1228.58    365.276  57.130  2.4662  45.620  7.6643  11.51007       8.051319  
1 1 1 4   10  31 f 83.763  3.5032  3866.05    317.826  3941.69    436.527  3780.73    463.643  83.809  4.8294  81.809  5.2604  1.999527       7.141082  
1 1 1 4   10  32 o 62.078  2.6366  2112.37    177.274  2159.38    197.563  1918.13    401.606  62.683  2.9100  57.073  6.6197  5.609642       7.231045  
1 1 1 4   10  33 o 46.060  5.2861  1243.14    258.932  1274.60    353.538  1206.74    380.294  45.015  7.5162  42.991  8.4684  2.023785       11.32288  
1 1 1 4   10  34 o 23.089  7.9311  350.479    239.591  415.668    327.706  275.620    351.174  24.685  9.1788  22.263  9.1248  2.422794       12.94269  
1 1 1 4   10  35 o 15.118  7.2670  -299.4284  347.767  -432.8531  405.071  74.615     678.225  15.458  7.5274  22.586  10.652  -7.128198      13.04329  
1 1 1 4   10  36 o 15.038  7.3715  -451.5065  407.724  -451.5065  407.724  0.0000     0.0000   15.038  7.3715  ?       ?       0.000000       7.371534  
1 1 1 4   11  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   11  1  o 390.003 20.360  83391.68   8570.57  0.0000     0.0000   83391.68   8570.57  ?       ?       390.003 20.360  0.000000       20.36012  
1 1 1 4   11  2  o 100.010 2.5563  5417.51    276.896  5137.85    389.705  5702.65    393.503  97.386  3.6946  102.600 3.5410  -5.214745      5.117543  
1 1 1 4   11  3  o 365.455 7.0134  72433.92   2776.09  70353.70   3399.49  76598.13   4809.77  360.026 8.7179  375.309 11.832  -15.28247      14.69701  
1 1 1 4   11  4  o 123.837 2.8112  8307.22    377.063  8258.64    533.538  8355.70    532.957  123.457 3.9901  124.181 3.9625  -0.7237930     5.623322  
1 1 1 4   11  5  o 150.094 3.1555  12204.47   512.987  12148.61   725.688  12260.26   725.260  149.724 4.4750  150.411 4.4519  -0.6869202     6.312255  
1 1 1 4   11  6  o 616.453 20.623  208481.70  13769.32 208481.70  13769.32 0.0000     0.0000   616.453 20.623  ?       ?       0.000000       20.62257  
1 1 1 4   11  7  o 400.571 6.8236  86990.17   2960.47  86662.12   4186.79  87318.22   4186.70  399.596 9.6736  401.109 9.6369  -1.513092      13.65466  
1 1 1 4   11  8  o 263.155 4.7196  37517.65   1345.20  37036.85   1902.28  37998.57   1902.52  261.411 6.7186  264.786 6.6338  -3.374878      9.441804  
1 1 1 4   11  9  o 652.399 15.254  231333.00  10778.81 227927.70  15243.34 234738.50  15243.75 646.370 21.774  656.027 21.454  -9.656250      30.56701  
1 1 1 4   11  10 o 406.748 7.4465  89676.38   3280.56  88900.81   4298.96  90757.70   5076.13  404.853 9.8038  408.943 11.460  -4.090424      15.08163  
1 1 1 4   11  11 o 468.224 7.8346  118853.90  3973.22  115606.60  5618.63  122102.10  5619.32  461.521 11.240  474.337 10.938  -12.81610      15.68351  
1 1 1 4   11  12 o 255.631 5.2776  35408.46   1461.23  32862.99   2526.99  36687.14   1791.02  246.121 9.4795  260.174 6.3558  -14.05284      11.41298  
1 1 1 4   11  13 o 538.669 10.328  157535.50  6025.71  163450.50  7380.42  145710.00  10435.53 548.380 12.426  516.590 18.651  31.79022       22.41112  
1 1 1 4   11  14 f 277.175 4.9163  41635.91   1475.91  39591.18   2086.12  43685.10   2088.40  270.173 7.1290  283.819 6.7936  -13.64526      9.847621  
1 1 1 4   11  15 o 431.933 8.3482  101308.60  3905.53  98265.36   4782.59  107400.40  6766.56  425.081 10.388  443.625 14.083  -18.54434      17.49923  
1 1 1 4   11  16 o 244.371 4.4307  32371.70   1172.72  31240.13   1657.16  33506.87   1659.79  239.936 6.3767  248.505 6.1666  -8.568588      8.870727  
1 1 1 4   11  17 o 323.256 5.6054  56696.29   1962.58  54020.82   2774.40  59376.02   2776.61  315.209 8.1264  330.522 7.7561  -15.31287      11.23371  
1 1 1 4   11  18 o 445.080 7.4596  107707.10  3596.02  102847.50  5084.62  112570.10  5086.47  433.975 10.817  454.188 10.340  -20.21259      14.96420  
1 1 1 4   11  19 o 49.132  3.3856  1314.70    179.064  1334.54    247.053  1292.74    259.905  49.378  4.6751  48.551  5.0148  0.8267860      6.855982  
1 1 1 4   11  20 o 211.755 4.0068  24319.26   918.981  24428.91   1298.31  24209.16   1300.97  212.076 5.6522  211.116 5.6895  0.9601746      8.019820  
1 1 1 4   11  21 o 222.309 4.3626  26818.30   1050.43  27004.87   1396.99  26575.60   1593.38  222.910 5.7862  221.005 6.6565  1.905380       8.819818  
1 1 1 4   11  22 f 57.863  3.3832  1822.01    211.109  1844.98    293.926  1797.54    303.407  58.097  4.7116  57.314  4.9357  0.7828789      6.823556  
1 1 1 4   11  23 o 42.165  2.4869  967.137    113.073  1365.56    279.334  889.057    123.657  49.831  5.2547  40.392  2.8447  9.439781       5.975331  
1 1 1 4   11  24 o 38.788  4.9693  832.410    203.966  1026.39    283.430  624.042    293.750  42.906  6.2854  33.057  8.2349  9.848301       10.35951  
1 1 1 4   11  25 o 125.846 4.4515  8630.65    606.755  8822.21    862.676  8443.12    853.559  126.844 6.2793  123.906 6.3819  2.937607       8.953071  
1 1 1 4   11  26 o 36.945  6.6041  775.176    254.569  497.810    370.194  1024.00    350.632  30.092  9.8523  42.245  7.9550  -12.15253      12.66298  
1 1 1 4   11  27 o 50.755  2.3861  1399.70    131.173  1441.51    317.534  1391.10    144.037  50.766  5.8841  50.512  2.6419  0.2538338      6.449965  
1 1 1 4   11  28 o 62.364  2.6049  2116.83    175.950  2104.56    347.881  2121.05    203.961  61.499  5.2737  62.373  3.0191  -0.8746147     6.076782  
1 1 1 4   11  29 o 43.096  5.1281  1043.08    234.666  1209.67    322.779  856.320    341.771  45.923  6.6856  37.865  8.5373  8.058105       10.84358  
1 1 1 4   11  30 o 60.441  2.7788  1995.98    181.913  1896.95    206.255  2342.79    385.994  58.739  3.2547  64.406  5.5887  -5.666252      6.467364  
1 1 1 4   11  31 o 32.986  6.6523  645.406    229.470  485.850    313.359  829.906    336.965  28.254  9.0497  36.601  8.6390  -8.346567      12.51111  
1 1 1 4   11  32 o 77.591  2.9364  3310.07    246.776  3292.90    294.677  3350.39    451.540  77.134  3.5272  76.480  5.4875  0.6540375      6.523366  
1 1 1 4   11  33 o 80.382  3.6897  3622.64    321.229  3296.53    441.088  3990.94    468.747  75.013  5.4666  82.800  5.2540  -7.787071      7.582084  
1 1 1 4   11  34 o 4.9959  2.3300  -28.4188   30.937   -23.9699   38.822   -36.1600   51.209   5.9461  2.7138  6.6731  3.0720  -0.7269859     4.098967  
1 1 1 4   11  35 o 19.761  8.6858  137.748    358.891  74.466     420.946  306.179    686.744  19.885  9.0215  24.200  11.179  -4.314318      14.36535  
1 1 1 4   11  36 o 27.184  10.577  685.571    447.642  685.571    447.642  0.0000     0.0000   27.184  10.577  ?       ?       0.000000       10.57714  
1 1 1 4   12  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   12  2  o 204.137 3.8527  22576.70   851.836  26037.35   1478.39  20856.74   1042.24  219.153 6.2283  196.182 4.9050  22.97054       7.927851  
1 1 1 4   12  3  o 243.254 4.2952  32064.09   1131.65  31185.79   1600.38  32942.44   1600.42  239.825 6.1611  246.495 5.9945  -6.669968      8.596150  
1 1 1 4   12  4  f 294.717 5.2731  47083.97   1683.21  47501.36   2380.55  46666.66   2380.29  295.879 7.4284  293.263 7.4938  2.616119       10.55166  
1 1 1 4   12  5  o 465.791 11.094  117993.30  5596.76  114628.80  7915.18  121357.40  7914.86  458.072 15.954  471.439 15.501  -13.36703      22.24370  
1 1 1 4   12  6  o 298.552 5.6074  48314.57   1813.22  49114.80   2387.50  47223.97   2787.20  300.916 7.3253  294.970 8.7241  5.945862       11.39167  
1 1 1 4   12  7  o 518.143 9.9671  145708.00  5593.57  148446.41  6850.65  140231.00  9688.49  522.721 12.100  507.140 17.638  15.58093       21.38986  
1 1 1 4   12  8  o 318.017 5.5486  54798.30   1911.19  53995.60   2702.89  55600.93   2702.77  315.595 7.9073  320.257 7.7919  -4.661957      11.10129  
1 1 1 4   12  9  o 328.064 6.5691  58324.08   2334.19  59498.30   4042.72  57736.88   2858.86  331.135 11.272  326.352 8.0879  4.782928       13.87337  
1 1 1 4   12  10 o 464.579 7.7938  117000.20  3921.73  118701.80  5546.15  115298.60  5546.17  467.721 10.948  460.954 11.109  6.766815       15.59691  
1 1 1 4   12  11 o 379.767 7.5633  78183.22   3110.98  81087.73   4400.24  75280.43   4398.94  386.576 10.509  372.448 10.905  14.12775       15.14450  
1 1 1 4   12  12 o 442.996 9.5055  106468.80  4560.82  108331.90  7108.57  105165.30  5945.98  446.295 14.706  439.989 12.477  6.305969       19.28570  
1 1 1 4   12  13 o 648.749 12.356  228768.00  8681.79  236301.59  10633.33 213704.00  15036.28 658.793 14.902  624.458 22.231  34.33466       26.76397  
1 1 1 4   12  14 o 131.669 3.1017  9391.49    442.330  9630.51    614.896  9135.17    636.776  133.316 4.2584  129.837 4.5281  3.478561       6.215947  
1 1 1 4   12  15 o 382.168 8.3545  79314.40   3458.16  78554.95   3820.30  82760.09   8137.36  380.212 9.2769  388.045 19.361  -7.832977      21.46892  
1 1 1 4   12  16 o 472.491 10.358  121559.10  5300.80  128997.00  12660.64 119978.10  5837.04  480.270 24.419  469.115 11.488  11.15421       26.98657  
1 1 1 4   12  17 o 506.281 9.1821  139522.80  5035.06  135201.20  6585.66  145603.00  7811.55  497.399 12.224  515.459 13.992  -18.05997      18.57965  
1 1 1 4   12  18 o 232.030 4.2369  29193.97   1064.80  28284.47   1504.41  30106.96   1507.30  228.230 6.0859  235.486 5.9097  -7.256073      8.483031  
1 1 1 4   12  19 o 58.942  2.2444  1882.21    143.281  1932.65    166.240  1736.48    282.556  59.723  2.5700  56.383  4.6689  3.339684       5.329454  
1 1 1 4   12  20 o 84.724  2.6500  3889.90    243.178  4048.90    373.663  3773.09    320.285  86.403  3.9928  83.421  3.5448  2.981697       5.339329  
1 1 1 4   12  21 o 225.189 4.5463  27522.93   1108.86  27503.59   1680.49  27537.85   1475.73  224.785 6.9024  225.057 6.0540  -0.2719727     9.181165  
1 1 1 4   12  22 o 123.321 3.1020  8246.14    414.332  7683.87    584.288  8814.86    587.634  118.960 4.5348  127.434 4.2575  -8.474236      6.220148  
1 1 1 4   12  23 f 199.689 3.9212  21649.22   848.101  21293.42   1198.32  22006.29   1200.47  197.785 5.5939  201.083 5.5120  -3.298401      7.853218  
1 1 1 4   12  24 o 125.216 4.4568  8529.18    604.440  8142.48    858.011  8910.16    851.641  121.865 6.5241  127.723 6.1562  -5.858414      8.970145  
1 1 1 4   12  25 o 108.096 4.3170  6366.09    505.428  5741.39    718.607  6977.67    711.020  102.062 6.5350  112.743 5.8427  -10.68138      8.766047  
1 1 1 4   12  26 o 61.873  3.4274  2090.67    228.791  2087.32    319.490  2094.20    327.787  61.572  4.8295  61.649  4.9508  -0.7654190E-01 6.916257  
1 1 1 4   12  27 o 18.941  1.8254  196.452    36.983   556.794    272.290  189.680    37.329   30.915  8.0519  18.602  1.8785  12.31372       8.268146  
1 1 1 4   12  28 o 27.030  6.3839  423.384    183.917  613.937    241.393  159.714    283.954  32.485  7.0622  21.216  8.3737  11.26861       10.95419  
1 1 1 4   12  29 o 53.917  4.2676  1609.84    247.181  1441.97    339.591  1799.00    360.475  50.325  6.3730  56.437  5.9886  -6.112244      8.745234  
1 1 1 4   12  30 f 43.699  5.0809  1078.12    235.992  1124.41    324.207  1025.95    344.174  43.852  7.0661  41.456  7.9545  2.395531       10.63972  
1 1 1 4   12  31 o 60.551  4.0589  2040.99    264.653  1935.92    364.765  2157.79    384.571  58.113  5.8760  61.391  5.8546  -3.278061      8.294812  
1 1 1 4   12  32 o 48.719  4.8918  1351.94    254.644  1039.91    349.113  1706.68    372.240  40.921  8.1630  53.828  6.5175  -12.90759      10.44573  
1 1 1 4   12  33 o 47.142  2.2565  1219.71    115.218  1448.30    351.658  1192.21    121.950  48.468  6.8931  46.499  2.4299  1.968807       7.308794  
1 1 1 4   12  34 o ?       ?       -290.1749  39.256   -300.5109  39.513   495.037    344.397  ?       ?       26.285  9.4684  0.000000       9.468422  
1 1 1 4   12  35 o 14.393  6.9770  -359.4168  337.426  -342.2054  397.171  -404.0673  639.709  15.865  7.6609  19.379  9.4417  -3.513828      12.15876  
1 1 1 4   12  36 o 19.546  8.9056  111.048    415.829  111.048    415.829  0.0000     0.0000   19.546  8.9056  ?       ?       0.000000       8.905562  
1 1 1 4   13  0  o 347.696 12.004  65713.69   4520.51  0.0000     0.0000   65713.69   4520.51  ?       ?       347.696 12.004  0.000000       12.00376  
1 1 1 4   13  1  f 390.011 13.319  82769.26   5626.15  0.0000     0.0000   82769.26   5626.15  ?       ?       390.011 13.319  0.000000       13.31877  
1 1 1 4   13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   13  3  o 225.155 4.8324  27475.32   1178.45  26713.24   2042.79  27855.44   1442.73  221.830 8.5022  226.665 5.8766  -4.835159      10.33550  
1 1 1 4   13  4  o 480.055 16.204  125970.40  8425.00  0.0000     0.0000   125970.40  8425.00  ?       ?       480.055 16.204  0.000000       16.20352  
1 1 1 4   13  5  o 289.638 5.2156  45472.35   1636.17  44967.04   2314.01  45977.55   2313.77  287.890 7.4211  291.113 7.3382  -3.222748      10.43654  
1 1 1 4   13  6  o 63.287  2.3560  2169.40    161.499  1953.68    229.120  2382.41    227.676  59.948  3.5445  66.318  3.1697  -6.369823      4.755049  
1 1 1 4   13  7  o 686.369 22.823  257853.91  16966.78 0.0000     0.0000   257853.91  16966.78 ?       ?       686.369 22.823  0.000000       22.82294  
1 1 1 4   13  8  o 434.212 7.3371  102194.40  3450.61  99671.23   4879.82  104717.70  4879.97  428.619 10.511  439.355 10.255  -10.73587      14.68514  
1 1 1 4   13  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   13  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   13  11 o 691.299 11.417  259407.00  8548.59  259721.70  12089.58 259092.20  12089.47 690.914 16.155  690.072 16.175  0.8416748      22.86098  
1 1 1 4   13  12 o 458.333 8.8749  113945.30  4405.71  118436.20  7630.82  111699.80  5395.91  466.573 15.100  453.603 10.983  12.97101       18.67188  
1 1 1 4   13  13 o 227.065 4.4613  27935.42   1097.19  27899.01   1666.57  27963.28   1457.65  226.843 6.7831  227.135 5.9251  -0.2918243     9.006523  
1 1 1 4   13  14 o 324.424 5.6430  57056.61   1982.85  59477.94   2804.49  54636.37   2803.85  331.081 7.8208  317.293 8.1588  13.78848       11.30175  
1 1 1 4   13  15 o 199.980 4.8157  21678.25   1043.08  21438.40   1332.10  22058.38   1677.03  198.810 6.1863  201.580 7.6811  -2.769424      9.862524  
1 1 1 4   13  16 o 274.077 5.6692  40747.97   1682.91  43540.43   2916.22  39353.66   2060.66  282.886 9.5179  269.223 7.0668  13.66275       11.85452  
1 1 1 4   13  17 o 322.239 5.5095  56338.87   1922.93  56121.12   2718.58  56556.89   2720.28  321.313 7.8117  322.562 7.7863  -1.248962      11.02942  
1 1 1 4   13  18 o 248.717 4.5076  33550.07   1214.30  32818.06   1716.27  34283.80   1718.29  245.799 6.4467  251.243 6.3144  -5.444443      9.023910  
1 1 1 4   13  19 o 249.602 4.4959  33795.79   1215.43  34645.12   1719.85  32948.38   1717.90  252.517 6.2883  246.236 6.4414  6.280945       9.001862  
1 1 1 4   13  20 o 194.920 3.8274  20603.70   808.041  21341.75   1142.40  19864.76   1143.08  198.254 5.3202  191.251 5.5183  7.002350       7.665230  
1 1 1 4   13  21 o 138.008 3.2642  10326.42   487.918  9825.31    672.774  10882.43   708.667  134.540 4.6169  141.593 4.6209  -7.052551      6.532120  
1 1 1 4   13  22 o 90.767  2.8480  4466.32    279.986  4957.79    370.404  3811.18    427.657  95.602  3.5772  83.636  4.7405  11.96620       5.938729  
1 1 1 4   13  23 o 35.996  5.1623  719.016    195.505  721.534    281.037  716.656    272.148  35.676  7.5105  35.582  7.3063  0.9466553E-01  10.47809  
1 1 1 4   13  24 o 65.497  3.0213  2328.10    214.331  2330.60    473.471  2327.46    240.369  64.904  6.8381  65.382  3.4061  -0.4772797     7.639424  
1 1 1 4   13  25 o 47.663  5.4958  1258.46    278.515  634.307    401.370  1838.10    386.793  33.499  10.170  57.552  6.3085  -24.05240      11.96757  
1 1 1 4   13  26 o 94.109  3.0474  4816.99    310.622  4775.90    434.941  4859.77    443.763  93.509  4.2944  94.317  4.3440  -0.8082275     6.108381  
1 1 1 4   13  27 o 28.421  1.7648  439.914    54.056   421.132    277.369  440.655    55.113   27.295  8.4847  28.442  1.7983  -1.146881      8.673214  
1 1 1 4   13  28 o 50.832  2.0350  1403.67    112.038  1472.22    119.904  931.941    314.520  52.051  2.1268  40.055  7.5260  11.99528       7.820728  
1 1 1 4   13  29 o 35.762  1.8724  696.722    72.271   808.074    307.087  690.193    74.360   36.953  7.9112  35.586  1.9365  1.367050       8.144811  
1 1 1 4   13  30 f 20.103  1.5835  220.851    34.199   237.856    295.985  220.621    34.430   22.720  8.6629  20.091  1.5953  2.629305       8.808529  
1 1 1 4   13  31 o 39.054  5.7180  880.275    234.704  848.090    325.064  915.328    339.234  37.164  8.2869  38.608  8.3550  -1.444157      11.76771  
1 1 1 4   13  32 o 62.210  2.4655  2118.94    166.128  2220.24    370.732  2093.49    185.829  62.100  5.5711  61.745  2.7787  0.3557472      6.225606  
1 1 1 4   13  33 o 62.213  4.2299  2205.22    283.330  2079.13    387.260  2350.44    415.620  58.804  6.1723  62.499  6.2225  -3.694870      8.764534  
1 1 1 4   13  34 o 19.617  7.6564  209.554    235.106  394.055    320.606  -5.0872    345.803  24.202  9.0630  18.237  8.2341  5.965092       12.24494  
1 1 1 4   13  35 o 40.305  9.0483  1195.93    385.319  1292.52    465.071  984.473    688.116  39.701  10.612  30.267  12.623  9.434025       16.49099  
1 1 1 4   13  36 o 17.812  8.3560  -60.8078   407.779  -60.8078   407.779  0.0000     0.0000   17.812  8.3560  ?       ?       0.000000       8.356000  
1 1 1 4   14  0  o 213.517 4.1750  24701.08   965.505  25543.19   1365.57  23859.33   1365.29  217.076 5.8081  209.792 6.0085  7.283997       8.356779  
1 1 1 4   14  1  o 500.912 16.849  137016.41  9141.30  137016.41  9141.30  0.0000     0.0000   500.912 16.849  ?       ?       0.000000       16.84909  
1 1 1 4   14  2  o 356.454 8.5934  68974.35   3317.72  60645.14   4691.51  77306.72   4692.40  333.728 12.979  377.015 11.491  -43.28726      17.33523  
1 1 1 4   14  3  o 460.793 10.939  115460.40  5459.56  106891.80  7720.73  124030.10  7721.22  442.308 16.116  476.741 14.953  -34.43387      21.98477  
1 1 1 4   14  4  o 303.312 5.3993  49872.32   1773.77  49600.17   2508.57  50144.43   2508.40  302.328 7.6609  303.986 7.6186  -1.657623      10.80423  
1 1 1 4   14  5  o 471.710 8.0148  120744.80  4094.83  119288.00  5791.03  122201.60  5790.90  468.369 11.416  474.078 11.278  -5.708801      16.04698  
1 1 1 4   14  6  o 155.020 3.2330  13017.50   542.833  12076.07   767.568  13959.50   767.796  149.286 4.7471  160.512 4.4164  -11.22609      6.483778  
1 1 1 4   14  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   14  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   14  9  o 248.217 4.8425  33378.16   1301.90  32887.95   1989.07  33745.57   1721.99  246.327 7.4554  249.547 6.3710  -3.220032      9.806747  
1 1 1 4   14  10 o 200.391 3.8382  21752.13   833.054  21885.58   1177.87  21618.57   1178.36  200.980 5.4109  199.750 5.4466  1.230392       7.677456  
1 1 1 4   14  11 o 287.128 4.9965  44666.98   1553.84  48281.50   2198.89  41061.83   2196.04  298.461 6.8021  275.224 7.3669  23.23795       10.02699  
1 1 1 4   14  12 o 768.956 17.948  322344.69  14947.76 333390.41  21139.39 311299.09  21139.25 779.588 25.036  752.971 25.920  26.61725       36.03670  
1 1 1 4   14  13 o 278.280 4.9057  41963.36   1478.62  42876.91   2091.22  41050.05   2090.95  281.209 6.8659  275.146 7.0163  6.063293       9.816808  
1 1 1 4   14  14 o 405.323 7.3303  89126.23   3218.07  94838.98   4219.23  81180.78   4975.88  417.886 9.3219  386.282 11.893  31.60327       15.11106  
1 1 1 4   14  15 o 266.278 5.8882  38453.61   1698.20  39524.98   1896.01  34107.82   3818.60  269.920 6.4854  249.523 14.188  20.39685       15.59996  
1 1 1 4   14  16 o 580.478 12.591  184004.50  7916.42  191285.80  19086.92 182491.80  8700.01  579.570 30.514  577.560 13.908  2.009888       33.53352  
1 1 1 4   14  17 o 274.173 4.8994  40769.72   1454.91  40023.10   2056.91  41517.27   2058.19  271.440 6.9963  276.475 6.8732  -5.035034      9.807630  
1 1 1 4   14  18 o 200.893 3.8978  21880.48   848.119  22038.38   1198.68  21722.19   1200.17  201.506 5.4922  200.052 5.5390  1.454590       7.800267  
1 1 1 4   14  19 o 116.041 3.0195  7297.79    379.499  7639.25    539.631  6963.66    533.801  118.682 4.1980  113.307 4.3496  5.375496       6.045041  
1 1 1 4   14  20 o 119.254 3.0320  7708.30    391.629  7200.35    551.516  8224.93    556.209  115.201 4.4201  123.138 4.1704  -7.936218      6.076941  
1 1 1 4   14  21 o 147.699 3.2830  11827.88   525.187  10922.66   739.162  12750.77   746.343  141.838 4.8115  153.273 4.4957  -11.43530      6.584970  
1 1 1 4   14  22 o 53.521  1.8872  1551.98    109.399  1456.63    442.627  1558.19    112.902  50.995  8.2993  53.627  1.9438  -2.632027      8.523873  
1 1 1 4   14  23 o 141.845 4.6798  10936.51   718.974  9279.56    1065.77  12320.37   973.987  130.050 7.5993  150.376 5.9800  -20.32597      9.670078  
1 1 1 4   14  24 o 3.0221  1.5203  -69.5132   22.440   372.326    341.437  -71.4300   22.489   27.272  9.4622  2.9960  1.5090  24.27568       9.581742  
1 1 1 4   14  25 o 47.577  3.9563  1240.67    202.023  1269.81    284.235  1210.93    287.197  47.856  5.5889  46.675  5.8065  1.181339       8.059239  
1 1 1 4   14  26 o 58.641  3.6615  1881.20    231.394  1818.28    334.619  1938.86    320.330  57.295  5.4582  59.275  5.0372  -1.980541      7.427332  
1 1 1 4   14  27 o 84.894  2.7995  3921.10    257.409  3613.71    410.947  4119.58    330.216  81.026  4.7029  86.901  3.5084  -5.875000      5.867342  
1 1 1 4   14  28 o 66.179  2.5102  2383.18    179.929  2374.18    208.387  2409.56    356.681  65.999  2.9152  65.888  5.0362  0.1102219      5.819072  
1 1 1 4   14  29 f 48.082  2.5908  1263.42    134.426  1677.60    336.607  1184.82    146.626  54.535  5.7872  46.499  2.9263  8.035900       6.484960  
1 1 1 4   14  30 o 46.421  2.4052  1178.05    120.515  1364.75    332.522  1149.82    129.306  48.650  6.4711  45.820  2.6164  2.829803       6.979980  
1 1 1 4   14  31 f 31.227  0.9550  528.765    32.298   530.861    54.985   527.660    39.909   31.207  1.6325  31.183  1.1816  0.2361488E-01  2.015224  
1 1 1 4   14  32 o 37.002  1.8715  748.089    74.762   579.368    325.444  757.489    76.816   30.053  9.1651  37.227  1.9116  -7.174103      9.362338  
1 1 1 4   14  33 o 11.527  3.2288  76.149     41.920   74.213     42.252   197.986    335.214  11.397  3.2590  21.341  8.8478  -9.943417      9.428873  
1 1 1 4   14  34 o 16.953  7.4230  40.715     259.916  275.955    403.829  -125.6550  339.610  22.743  9.5891  16.772  7.7879  5.970268       12.35325  
1 1 1 4   14  35 o 25.568  1.7866  360.364    49.165   -421.8286  401.874  372.249    49.537   15.405  7.5008  25.993  1.7701  -10.58765      7.706873  
1 1 1 4   14  36 o 24.711  10.013  517.748    416.951  517.748    416.951  0.0000     0.0000   24.711  10.013  ?       ?       0.000000       10.01264  
1 1 1 4   15  0  o 400.304 13.652  87280.28   5919.14  0.0000     0.0000   87280.28   5919.14  ?       ?       400.304 13.652  0.000000       13.65205  
1 1 1 4   15  1  o 164.063 3.5804  14582.88   636.237  15570.86   1105.16  14093.12   778.115  169.466 6.0211  161.266 4.4548  8.199158       7.489900  
1 1 1 4   15  2  o 467.286 15.786  119238.80  7989.54  0.0000     0.0000   119238.80  7989.54  ?       ?       467.286 15.786  0.000000       15.78589  
1 1 1 4   15  3  o 180.257 3.5762  17604.45   698.213  17033.52   1399.43  17793.68   805.651  177.183 7.2922  181.210 4.1048  -4.027023      8.368127  
1 1 1 4   15  4  o 234.918 4.9905  29911.54   1269.77  30181.39   2201.49  29777.02   1554.38  235.777 8.6207  234.339 6.1241  1.438614       10.57459  
1 1 1 4   15  5  o 427.654 7.3529  99202.26   3405.82  102996.90  4816.74  95408.24   4816.36  435.433 10.213  419.034 10.612  16.39926       14.72839  
1 1 1 4   15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   15  7  o 403.757 6.8858  88359.39   3011.22  88726.13   4258.56  87992.66   4258.45  404.421 9.7221  402.743 9.7623  1.677948       13.77756  
1 1 1 4   15  8  f 754.307 17.719  309628.69  14476.04 328169.81  20471.53 291085.09  20472.90 774.888 24.392  729.364 25.916  45.52380       35.58906  
1 1 1 4   15  9  o 530.656 8.8571  152684.91  5090.69  153167.00  7199.28  152202.70  7199.35  531.170 12.514  529.492 12.553  1.678772       17.72518  
1 1 1 4   15  10 o 432.389 7.2957  101338.90  3416.75  101898.80  4832.01  100779.00  4832.02  433.391 10.294  430.999 10.351  2.392120       14.59817  
1 1 1 4   15  11 o 606.445 12.900  199779.20  8473.30  193602.09  13164.20 204148.59  11071.72 595.632 20.405  612.411 16.692  -16.77881      26.36278  
1 1 1 4   15  12 o 451.446 8.7254  110547.30  4266.38  113811.70  5225.92  104023.70  7387.61  457.894 10.537  437.153 15.603  20.74118       18.82759  
1 1 1 4   15  13 o 407.635 7.4311  90119.00   3280.92  91129.60   4300.39  88711.49   5075.08  409.705 9.6910  404.016 11.598  5.688507       15.11365  
1 1 1 4   15  14 o 525.305 9.5418  149895.20  5428.90  150452.30  8425.01  149499.59  7099.33  525.154 14.812  524.038 12.508  1.115662       19.38666  
1 1 1 4   15  15 o 486.141 9.3956  128470.00  4947.17  127746.90  6058.58  129916.70  8570.00  484.305 11.550  487.050 16.246  -2.745209      19.93296  
1 1 1 4   15  16 o 289.287 5.9354  45406.55   1859.71  41912.27   3220.83  47154.16   2277.77  277.341 10.722  294.677 7.1366  -17.33667      12.88011  
1 1 1 4   15  17 o 113.306 2.9005  6956.29    355.962  6411.20    502.900  7503.59    503.914  108.743 4.2698  117.652 3.9544  -8.909683      5.819715  
1 1 1 4   15  18 o 368.053 6.8051  73612.34   2712.78  69679.23   4186.92  76458.07   3561.43  357.152 10.824  374.675 8.7761  -17.52313      13.93448  
1 1 1 4   15  19 o 201.557 4.1269  22032.18   900.921  22180.32   1356.73  21915.35   1204.93  202.051 6.1996  200.906 5.5373  1.144897       8.312411  
1 1 1 4   15  20 o 148.203 3.2856  11906.91   527.399  12606.31   745.237  11205.19   746.473  152.425 4.5141  143.687 4.7965  8.737839       6.586619  
1 1 1 4   15  21 o 158.900 3.4343  13691.70   591.055  13221.52   836.159  14161.26   835.596  156.038 4.9475  161.503 4.7769  -5.465012      6.877261  
1 1 1 4   15  22 o 164.257 4.9580  14658.80   882.062  13812.44   1247.74  15504.29   1247.11  159.153 7.2383  168.683 6.8259  -9.529938      9.949235  
1 1 1 4   15  23 f 130.723 4.5163  9286.94    639.449  8289.70    923.571  10205.15   886.221  123.017 6.9602  136.852 5.9789  -13.83540      9.175569  
1 1 1 4   15  24 o 61.972  3.4029  2091.91    227.534  2266.39    324.442  1923.04    319.186  64.352  4.6870  59.200  5.0255  5.152481       6.871936  
1 1 1 4   15  25 o 31.303  5.6126  552.251    183.304  440.092    271.464  646.248    248.516  27.975  8.3349  33.651  7.0445  -5.676064      10.91305  
1 1 1 4   15  26 o 12.336  5.6320  -107.8979  167.381  104.797    245.818  -291.7592  228.549  19.265  7.7293  12.659  6.0319  6.606713       9.804384  
1 1 1 4   15  27 o 34.285  5.5057  663.467    197.529  691.140    266.147  629.531    294.732  34.558  7.3374  32.803  8.2914  1.754353       11.07176  
1 1 1 4   15  28 o 66.956  2.1457  2436.45    155.607  2549.21    216.113  2315.05    224.235  68.385  2.9177  65.129  3.1787  3.256065       4.314822  
1 1 1 4   15  29 o 63.333  2.6639  2186.83    182.734  1904.53    362.117  2283.27    211.660  58.111  5.8320  64.653  3.0226  -6.541538      6.568724  
1 1 1 4   15  30 o 62.942  3.9223  2192.74    266.070  1952.02    366.883  2459.79    386.438  58.596  5.8593  66.036  5.4517  -7.439869      8.003274  
1 1 1 4   15  31 o 32.344  2.4959  574.969    86.759   540.110    89.752   1071.75    338.818  31.308  2.6724  42.195  7.6974  -10.88713      8.148096  
1 1 1 4   15  32 o 40.489  5.6296  954.315    240.200  604.969    330.215  1346.86    350.039  30.626  9.2081  47.373  7.0357  -16.74704      11.58837  
1 1 1 4   15  33 f 11.686  3.1969  78.502     41.634   653.579    315.903  68.337     42.000   30.856  8.9373  10.990  3.2793  19.86563       9.519919  
1 1 1 4   15  34 o 6.1304  2.8925  -53.6876   50.111   -68.0475   389.706  -53.4462   50.530   18.395  8.4706  6.1716  2.9097  12.22380       8.956397  
1 1 1 4   15  35 o 51.260  7.3900  1755.11    398.436  1643.10    478.023  2010.02    721.143  46.339  9.8288  43.654  13.699  2.685738       16.86049  
1 1 1 4   15  36 o 21.459  9.2135  296.341    384.675  296.341    384.675  0.0000     0.0000   21.459  9.2135  ?       ?       0.000000       9.213485  
1 1 1 4   16  0  f 292.522 6.2858  46400.25   1991.54  42360.68   3451.05  48417.21   2438.55  279.082 11.417  298.727 7.5368  -19.64459      13.68026  
1 1 1 4   16  1  f 296.439 6.3317  47653.38   2032.95  42720.32   3522.87  50116.36   2489.25  280.234 11.607  303.917 7.5621  -23.68268      13.85275  
1 1 1 4   16  2  o 554.206 18.608  168332.91  11169.71 0.0000     0.0000   168332.91  11169.71 ?       ?       554.206 18.608  0.000000       18.60802  
1 1 1 4   16  3  o 135.393 2.9945  9930.49    439.129  9496.74    881.949  10073.47   506.358  132.337 6.1531  136.358 3.4285  -4.020706      7.043775  
1 1 1 4   16  4  o 332.717 5.7778  60015.14   2082.12  59682.80   4166.82  60125.74   2403.73  331.250 11.614  332.964 6.6653  -1.713837      13.39063  
1 1 1 4   16  5  o 423.773 8.4093  97442.64   3859.79  94012.68   6686.87  99156.46   4726.72  415.393 14.863  427.286 10.213  -11.89310      18.03354  
1 1 1 4   16  6  o 302.465 6.1284  49583.96   2007.69  49858.30   2459.39  49035.91   3476.06  303.241 7.4881  300.543 10.678  2.697784       13.04228  
1 1 1 4   16  7  o 243.042 4.7768  32001.76   1257.44  31302.91   1664.01  32932.09   1919.91  240.337 6.3924  246.489 7.1914  -6.152145      9.621789  
1 1 1 4   16  8  o 692.735 36.550  265889.91  27326.71 265889.91  27326.71 0.0000     0.0000   692.735 36.550  ?       ?       0.000000       36.55025  
1 1 1 4   16  9  o 736.403 14.023  294583.50  11184.70 267114.81  19372.55 308317.69  13698.37 698.728 25.598  752.870 16.799  -54.14197      30.61806  
1 1 1 4   16  10 o 272.995 5.2211  40378.35   1543.78  39570.04   2365.89  40977.70   2037.25  270.161 8.0854  274.968 6.8406  -4.806488      10.59090  
1 1 1 4   16  11 o 233.016 4.8837  29417.34   1232.54  27649.01   2133.51  30303.14   1510.01  225.793 8.7239  236.474 5.8956  -10.68039      10.52925  
1 1 1 4   16  12 o 902.388 17.054  443759.59  16668.23 453162.09  20414.52 424955.69  28869.69 910.553 20.700  877.124 30.389  33.42896       36.76880  
1 1 1 4   16  13 o 551.890 9.9431  165393.09  5943.56  173045.70  9228.37  159968.70  7769.55  563.519 15.120  542.203 13.230  21.31622       20.09093  
1 1 1 4   16  14 o 562.851 10.115  172169.41  6166.37  182057.41  8060.42  158216.20  9575.00  578.159 12.872  538.014 16.431  40.14502       20.87284  
1 1 1 4   16  15 o 324.117 6.4802  56996.11   2274.88  56346.97   2785.49  58296.21   3942.06  322.113 7.9840  327.207 11.123  -5.094574      13.69199  
1 1 1 4   16  16 o 281.543 7.0638  43044.20   2154.03  39503.66   4349.66  44194.61   2479.41  268.023 15.044  285.168 8.0274  -17.14517      17.05205  
1 1 1 4   16  17 o 139.171 3.1563  10495.83   475.767  10922.05   671.689  10066.67   673.990  141.928 4.3695  136.249 4.5672  5.678650       6.320733  
1 1 1 4   16  18 o 244.374 5.0435  32402.17   1334.92  33113.52   1641.85  31014.73   2292.96  246.928 6.1389  238.610 8.8723  8.318481       10.78911  
1 1 1 4   16  19 o 55.454  2.2492  1666.10    135.095  1581.20    269.918  1694.47    156.047  53.782  4.6803  55.921  2.5764  -2.138668      5.342556  
1 1 1 4   16  20 o 135.316 3.1783  9925.57    465.810  9688.60    664.208  10154.92   653.435  133.621 4.5894  136.809 4.4098  -3.188385      6.364661  
1 1 1 4   16  21 o 39.202  1.4057  832.439    59.687   770.489    83.499   897.169    85.352   37.654  2.0551  40.694  1.9365  -3.039291      2.823774  
1 1 1 4   16  22 o 123.935 4.4554  8340.49    598.069  8474.51    847.441  8207.51    844.164  124.604 6.2997  122.608 6.3788  1.995865       8.965237  
1 1 1 4   16  23 o 173.482 5.1105  16373.83   960.255  16634.25   1359.17  16114.29   1356.84  174.464 7.1928  171.693 7.2964  2.770935       10.24566  
1 1 1 4   16  24 o 27.963  1.6459  425.223    49.631   422.746    50.620   486.767    252.310  27.879  1.6843  29.252  7.8150  -1.373613      7.994419  
1 1 1 4   16  25 o 107.054 3.0219  6226.61    350.390  6342.61    493.210  6108.40    497.874  107.882 4.2210  105.852 4.3426  2.029999       6.055974  
1 1 1 4   16  26 o 74.402  3.1499  3012.27    253.832  2885.01    366.965  3129.02    351.480  72.453  4.7017  75.552  4.3131  -3.099083      6.380314  
1 1 1 4   16  27 o 125.327 3.1857  8558.55    432.434  8338.81    606.851  8785.23    616.367  123.317 4.5435  126.592 4.4954  -3.274399      6.391504  
1 1 1 4   16  28 o 28.395  0.8730  436.911    26.850   424.725    39.253   447.626    36.807   27.987  1.2949  28.734  1.1827  -0.7476902     1.753725  
1 1 1 4   16  29 o 37.356  5.7898  796.343    226.676  845.962    309.319  738.786    333.143  37.826  7.8088  35.007  8.7969  2.819141       11.76277  
1 1 1 4   16  30 o 35.743  1.3577  693.381    52.562   14.489     298.509  715.103    53.396   18.758  8.0857  36.298  1.3582  -17.54024      8.198997  
1 1 1 4   16  31 o 40.335  5.5396  935.190    235.616  862.479    323.918  1016.89    343.354  37.499  8.2034  40.887  8.0399  -3.387493      11.48630  
1 1 1 4   16  32 o 44.412  5.1644  1134.31    243.783  1290.56    335.503  959.534    354.831  46.426  6.8805  38.855  8.6535  7.570465       11.05549  
1 1 1 4   16  33 o 40.758  1.6538  906.605    73.008   691.972    325.501  917.975    74.917   31.617  9.0472  41.007  1.6868  -9.389734      9.203061  
1 1 1 4   16  34 o 42.113  6.4756  1112.79    285.914  1224.10    438.161  1030.25    377.313  40.403  10.053  37.784  9.2859  2.619404       13.68555  
1 1 1 4   16  35 o 30.259  9.5281  720.746    348.515  748.169    405.217  642.810    683.125  29.854  10.311  26.748  11.859  3.105894       15.71488  
1 1 1 4   16  36 o 20.209  8.8780  206.319    374.546  206.319    374.546  0.0000     0.0000   20.209  8.8780  ?       ?       0.000000       8.878037  
1 1 1 4   17  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   17  1  o 196.179 4.3070  20855.72   915.169  22459.88   1583.06  20050.50   1121.58  203.468 7.1834  192.320 5.3844  11.14767       8.977356  
1 1 1 4   17  2  o 237.738 4.5489  30630.10   1171.33  30607.63   1656.55  30652.57   1656.47  237.565 6.4380  237.739 6.4330  -0.1746063     9.101171  
1 1 1 4   17  3  o 161.954 3.2284  14209.42   566.305  14501.83   1136.48  14112.83   653.173  163.527 6.4166  161.393 3.7366  2.134415       7.425247  
1 1 1 4   17  4  o 250.232 4.5094  33930.66   1222.18  32134.45   2447.17  34527.57   1410.71  243.277 9.2874  252.399 5.1603  -9.122681      10.62470  
1 1 1 4   17  5  o 247.721 4.5349  33249.79   1216.76  31535.96   2436.16  33819.41   1404.48  241.053 9.3309  249.814 5.1907  -8.761566      10.67751  
1 1 1 4   17  6  o 458.334 8.7661  113936.40  4351.72  120678.60  7539.24  110567.80  5329.09  471.045 14.777  451.322 10.902  19.72336       18.36348  
1 1 1 4   17  7  o 545.128 9.1416  161148.50  5397.48  161890.20  7633.29  160406.70  7633.10  546.013 12.907  543.499 12.967  2.514221       18.29583  
1 1 1 4   17  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   17  9  o 493.482 8.2652  132024.00  4417.67  131563.50  6247.51  132484.50  6247.55  492.352 11.716  494.076 11.675  -1.723877      16.53941  
1 1 1 4   17  10 o 429.140 7.2408  99822.22   3365.52  99311.71   4759.79  100332.60  4759.35  427.847 10.271  430.045 10.218  -2.197510      14.48820  
1 1 1 4   17  11 o 338.891 7.4860  62261.91   2747.75  62437.61   4302.56  62140.90   3570.77  339.107 11.714  338.436 9.7412  0.6705933      15.23547  
1 1 1 4   17  12 o 590.591 11.289  189427.59  7221.31  192765.09  8844.69  182754.50  12506.47 595.370 13.716  578.357 19.965  17.01251       24.22243  
1 1 1 4   17  13 o 546.209 8.9745  161937.20  5309.30  159575.20  7508.17  164299.70  7508.81  541.574 12.800  549.569 12.615  -7.994995      17.97135  
1 1 1 4   17  14 f 418.874 7.0814  95187.19   3212.73  99351.08   4543.32  91022.69   4543.65  427.588 9.8102  409.210 10.252  18.37817       14.18919  
1 1 1 4   17  15 o 491.851 9.5199  131547.30  5071.47  132614.30  6210.90  129412.40  8785.05  493.348 11.623  485.791 16.696  7.557129       20.34391  
1 1 1 4   17  16 o 236.789 5.0096  30406.82   1284.79  29421.97   2225.59  30899.06   1573.44  232.580 8.8349  238.619 6.0880  -6.038330      10.72938  
1 1 1 4   17  17 o 296.752 5.5522  47785.73   1784.56  43688.82   2738.13  50811.03   2352.94  283.298 8.9236  305.807 7.1038  -22.50894      11.40591  
1 1 1 4   17  18 o 212.782 4.0536  24549.78   934.216  25139.30   1321.88  23961.51   1320.48  215.193 5.6714  210.080 5.8033  5.113449       8.114423  
1 1 1 4   17  19 o 68.186  2.1880  2518.87    161.587  2749.99    327.004  2444.21    185.864  71.077  4.2674  67.163  2.5550  3.914505       4.973862  
1 1 1 4   17  20 o 303.186 5.5694  49928.55   1828.90  51144.18   2409.86  48277.38   2808.59  306.537 7.2584  297.492 8.7165  9.045654       11.34291  
1 1 1 4   17  21 o 206.045 5.6436  23074.94   1259.47  25145.24   1782.39  21010.40   1779.92  214.761 7.6626  196.184 8.3766  18.57745       11.35265  
1 1 1 4   17  22 o 180.977 5.2285  17804.24   1024.87  17375.40   1449.88  18232.50   1448.89  178.429 7.5023  182.811 7.3175  -4.382202      10.48001  
1 1 1 4   17  23 o 170.788 3.5550  15832.31   657.613  15621.00   927.866  16045.58   932.160  169.447 5.0557  171.741 5.0113  -2.294281      7.118494  
1 1 1 4   17  24 o 65.371  2.4965  2317.93    176.760  2348.00    209.385  2243.36    329.750  65.773  2.9392  63.998  4.7920  1.775394       5.621533  
1 1 1 4   17  25 o 45.855  1.8978  1140.22    94.258   1178.54    100.776  872.451    266.415  46.616  1.9959  39.346  6.4770  7.270599       6.777599  
1 1 1 4   17  26 o 103.477 3.0499  5825.25    341.818  6698.40    497.618  5045.20    470.342  110.747 4.1485  96.038  4.5217  14.70918       6.136470  
1 1 1 4   17  27 o 64.376  3.4458  2267.08    239.390  2181.89    332.275  2359.02    345.192  62.822  4.9227  65.339  4.9137  -2.516830      6.955372  
1 1 1 4   17  28 o 25.569  1.0824  354.379    29.976   444.789    43.399   271.887    41.455   28.637  1.3992  22.314  1.7287  6.322950       2.224031  
1 1 1 4   17  29 o 13.503  6.1913  -131.9108  205.182  -45.6012   279.754  -232.3917  301.848  17.430  7.6646  15.802  7.3388  1.628004       10.61156  
1 1 1 4   17  30 o 70.450  3.7084  2739.84    281.974  3068.88    388.682  2374.27    409.689  74.074  4.8718  64.619  5.9194  9.454681       7.666407  
1 1 1 4   17  31 o 43.572  5.1846  1081.90    239.877  1192.00    329.692  958.059    349.663  44.901  7.0081  39.441  8.4403  5.460941       10.97052  
1 1 1 4   17  32 o 11.996  2.6422  81.999     33.403   78.930     33.584   364.861    322.421  11.761  2.6942  25.049  9.1403  -13.28709      9.529071  
1 1 1 4   17  33 o 15.166  6.7082  -11.7009   217.312  0.7861     293.886  -26.7654   322.795  17.450  7.7557  17.779  7.9980  -0.3288136     11.14088  
1 1 1 4   17  34 o 16.787  7.2713  56.676     243.771  397.431    360.054  -231.7122  331.234  24.298  9.4772  15.523  7.3579  8.774208       11.99815  
1 1 1 4   17  35 o 24.617  9.2543  454.612    334.917  204.593    384.752  1236.56    680.430  20.823  9.0766  33.199  13.006  -12.37647      15.86027  
1 1 1 4   17  36 o 19.764  8.7585  171.455    372.153  171.455    372.153  0.0000     0.0000   19.764  8.7585  ?       ?       0.000000       8.758541  
1 1 1 4   18  0  o 385.490 13.198  80963.88   5510.50  0.0000     0.0000   80963.88   5510.50  ?       ?       385.490 13.198  0.000000       13.19798  
1 1 1 4   18  1  o 287.325 5.8177  44760.36   1810.49  44166.55   3138.13  45056.63   2216.59  285.072 10.164  288.192 7.1012  -3.119812      12.39859  
1 1 1 4   18  2  o 320.137 7.9444  55620.49   2754.64  56303.21   3892.83  54935.80   3898.47  321.762 11.170  317.812 11.325  3.949890       15.90716  
1 1 1 4   18  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   18  4  o 168.145 3.3550  15316.01   611.005  15328.81   1225.86  15311.78   704.792  168.135 6.7315  168.113 3.8707  0.2209473E-01  7.765023  
1 1 1 4   18  5  o 439.747 8.6542  104902.20  4121.94  104814.40  7141.17  104946.10  5047.71  438.813 15.025  439.652 10.600  -0.8392639     18.38806  
1 1 1 4   18  6  o 167.217 3.3814  15145.86   612.428  13995.70   1227.66  15526.92   706.633  160.687 7.0539  169.303 3.8535  -8.615860      8.037841  
1 1 1 4   18  7  o 150.851 3.0691  12325.38   501.460  12117.38   709.257  12533.28   709.086  149.561 4.3784  152.107 4.3041  -2.545761      6.139651  
1 1 1 4   18  8  f 650.679 15.226  230091.80  10730.73 228238.50  15175.84 231945.00  15175.25 646.892 21.660  652.161 21.484  -5.268860      30.50723  
1 1 1 4   18  9  o 770.928 17.967  323528.50  15002.54 326450.91  21217.00 320606.19  21216.60 772.428 25.360  765.411 25.592  7.017822       36.02943  
1 1 1 4   18  10 o 561.112 9.3162  170762.20  5661.85  173225.50  8007.35  168299.30  8006.78  564.731 13.091  556.619 13.281  8.111877       18.64837  
1 1 1 4   18  11 o 518.630 12.249  146089.59  6880.75  146032.91  9730.70  146146.41  9731.00  517.772 17.351  517.974 17.345  -0.2022095     24.53423  
1 1 1 4   18  12 o 797.211 14.247  345789.69  12301.39 341611.31  16054.86 351730.31  19143.42 791.037 18.739  801.431 22.054  -10.39331      28.93974  
1 1 1 4   18  13 o 433.984 7.1786  102150.80  3374.31  104575.30  4771.89  99725.97   4772.12  438.788 10.041  428.463 10.283  10.32523       14.37220  
1 1 1 4   18  14 o 461.219 7.6757  115448.80  3834.39  117934.50  5422.43  112962.70  5422.87  465.676 10.751  455.712 10.987  9.963989       15.37164  
1 1 1 4   18  15 o 137.634 3.5514  10264.73   529.421  9270.57    645.731  12303.39   924.692  130.775 4.5589  150.615 5.6684  -19.84030      7.274197  
1 1 1 4   18  16 o 185.593 4.2678  18672.81   857.902  18495.00   1487.06  18761.51   1050.31  184.513 7.4410  185.986 5.2140  -1.472672      9.085907  
1 1 1 4   18  17 o 192.010 3.9784  19986.80   827.373  19403.05   1106.76  20726.31   1245.69  189.101 5.4037  195.408 5.8857  -6.306686      7.990039  
1 1 1 4   18  18 o 144.725 3.3262  11352.63   521.394  10945.88   758.555  11716.91   717.852  142.037 4.9308  146.977 4.5094  -4.939819      6.681859  
1 1 1 4   18  19 o 132.194 3.2078  9472.20    459.293  9233.64    659.029  9697.49    640.446  130.454 4.6642  133.704 4.4225  -3.249130      6.427538  
1 1 1 4   18  20 o 102.796 4.1407  5732.15    461.023  5856.16    633.694  5592.73    671.957  103.674 5.6648  101.251 6.1565  2.422310       8.366213  
1 1 1 4   18  21 o 125.276 4.4472  8518.72    603.433  8139.15    854.037  8897.14    852.731  122.126 6.4797  127.894 6.1559  -5.767349      8.937649  
1 1 1 4   18  22 o 74.547  3.6870  3015.29    297.690  2467.03    517.195  3286.92    364.040  66.861  7.2584  77.682  4.3441  -10.82112      8.459056  
1 1 1 4   18  23 o 201.053 3.9450  21953.98   859.063  22604.51   1213.52  21300.49   1216.28  203.733 5.4994  197.733 5.6792  6.000488       7.905461  
1 1 1 4   18  24 o 219.535 4.3666  26231.39   1038.29  28279.89   1382.60  23581.92   1572.38  227.576 5.6092  207.340 7.0017  20.23590       8.971429  
1 1 1 4   18  25 o 83.268  2.6870  3765.04    242.340  3782.69    311.328  3737.92    386.039  83.391  3.4469  82.681  4.3258  0.7104034      5.531175  
1 1 1 4   18  26 f 16.758  6.5809  93.051     174.553  46.010     233.939  152.134    262.178  17.713  7.3715  20.686  8.0820  -2.973347      10.93878  
1 1 1 4   18  27 o 98.076  3.0765  5240.04    326.800  4954.01    462.202  5525.97    462.130  95.045  4.4898  100.448 4.2477  -5.402649      6.180740  
1 1 1 4   18  28 o 114.414 3.0643  7141.74    379.733  7132.55    521.811  7152.08    553.651  113.962 4.2275  114.019 4.4832  -0.5715179E-01 6.162030  
1 1 1 4   18  29 o 94.937  2.7539  4917.42    283.174  4948.29    405.665  4888.08    395.467  94.865  3.9481  94.313  3.8714  0.5515518      5.529499  
1 1 1 4   18  30 o 47.292  4.7565  1256.12    240.336  1147.10    327.931  1382.62    353.253  44.235  7.0837  48.740  6.8831  -4.505898      9.877021  
1 1 1 4   18  31 o 66.860  3.8464  2481.50    277.367  2507.70    380.843  2451.89    404.761  66.477  5.3343  65.480  5.7660  0.9967880      7.855058  
1 1 1 4   18  32 o 31.982  1.6569  558.364    57.196   406.471    387.485  561.747    57.829   26.380  9.9467  32.076  1.6703  -5.696409      10.08598  
1 1 1 4   18  33 o 15.379  6.7290  9.7876     213.260  -151.3503  283.586  219.529    323.539  15.272  7.0996  21.349  8.7553  -6.076890      11.27210  
1 1 1 4   18  34 o 19.702  8.3534  157.395    309.198  159.100    361.408  152.739    597.208  20.518  8.8705  23.180  10.604  -2.661791      13.82499  
1 1 1 4   18  35 o 19.111  8.3002  140.940    319.341  191.829    365.584  -22.9078   655.989  20.416  8.8739  21.514  10.243  -1.098049      13.55193  
1 1 1 4   18  36 o 26.046  9.9432  584.413    390.238  584.413    390.238  0.0000     0.0000   26.046  9.9432  ?       ?       0.000000       9.943158  
1 1 1 4   19  0  o 248.708 5.2936  33529.61   1425.98  34546.84   2468.13  33019.92   1747.08  252.225 9.0346  246.749 6.5371  5.475739       11.15160  
1 1 1 4   19  1  o 219.814 3.9742  26180.68   946.178  26634.64   1338.24  25726.92   1337.96  221.655 5.5742  217.842 5.6706  3.813766       7.951610  
1 1 1 4   19  2  o 163.040 3.3587  14400.86   593.110  13847.98   838.724  14953.90   838.844  159.849 4.8444  166.114 4.6624  -6.264862      6.723520  
1 1 1 4   19  3  o 302.867 5.9931  49728.01   1965.97  46580.14   3403.19  51304.68   2408.51  292.785 10.732  307.557 7.2302  -14.77231      12.94005  
1 1 1 4   19  4  o 462.594 10.978  116238.50  5500.25  119992.80  7779.03  112485.10  7778.02  469.338 15.303  454.329 15.806  15.00861       22.00023  
1 1 1 4   19  5  o 558.212 18.649  169954.50  11275.15 0.0000     0.0000   169954.50  11275.15 ?       ?       558.212 18.649  0.000000       18.64888  
1 1 1 4   19  6  o 332.484 5.7825  59900.05   2082.37  55639.48   4166.75  61318.41   2404.13  320.140 12.017  336.368 6.5989  -16.22836      13.70941  
1 1 1 4   19  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   19  8  o 203.269 3.9161  22381.18   862.176  22911.96   1219.42  21850.60   1219.18  205.642 5.4748  200.820 5.6052  4.821686       7.835316  
1 1 1 4   19  9  o 630.410 14.899  215999.00  10173.08 215999.00  10173.08 0.0000     0.0000   630.410 14.899  ?       ?       0.000000       14.89908  
1 1 1 4   19  10 o 564.353 10.771  172834.80  6583.84  164207.09  11401.75 177150.59  8064.16  548.870 19.179  571.084 13.037  -22.21448      23.19087  
1 1 1 4   19  11 o 259.606 5.3211  36518.64   1496.20  37842.99   1833.78  33881.31   2587.78  264.238 6.4074  249.900 9.5608  14.33832       11.50924  
1 1 1 4   19  12 o 374.106 6.4056  75867.34   2595.51  77742.50   3670.62  73992.21   3670.59  378.524 8.9532  369.263 9.1776  9.260803       12.82137  
1 1 1 4   19  13 o 298.226 5.2393  48204.88   1692.34  48318.42   2393.19  48091.30   2393.47  298.453 7.4034  297.750 7.4218  0.7035217      10.48295  
1 1 1 4   19  14 o 712.499 12.723  276607.00  9818.41  288660.00  12819.47 259504.30  15270.57 726.441 16.293  686.773 20.529  39.66870       26.20893  
1 1 1 4   19  15 o 269.496 5.5640  39390.18   1624.10  39213.81   1988.19  39743.89   2815.61  268.791 6.8292  270.305 9.6172  -1.514435      11.79528  
1 1 1 4   19  16 o 95.694  3.2620  4962.20    338.094  5459.94    593.083  4722.58    411.506  100.173 5.4872  93.339  4.0705  6.834145       6.832115  
1 1 1 4   19  17 o 78.640  2.4284  3350.46    206.837  2783.32    326.407  3731.00    267.371  71.522  4.2324  82.978  2.9750  -11.45565      5.173341  
1 1 1 4   19  18 o 150.702 3.2793  12309.64   535.271  11985.30   754.607  12638.10   759.390  148.639 4.6872  152.638 4.5934  -3.999466      6.562723  
1 1 1 4   19  19 o 167.625 4.0376  15238.27   733.056  15448.46   896.649  14814.62   1272.98  168.720 4.9067  165.031 7.1217  3.688828       8.648384  
1 1 1 4   19  20 o 219.374 5.8960  26151.60   1400.91  26491.91   1980.96  25811.13   1981.42  220.427 8.2974  217.556 8.4088  2.870544       11.81332  
1 1 1 4   19  21 o 122.286 4.4174  8116.93    585.070  8722.97    828.450  7513.91    826.381  126.642 6.0397  117.316 6.5294  9.325417       8.894484  
1 1 1 4   19  22 o 62.583  2.5353  2123.02    171.849  1976.39    201.328  2516.67    329.867  60.290  3.0935  67.922  4.5096  -7.631622      5.468640  
1 1 1 4   19  23 o 126.194 3.1344  8640.37    428.416  7968.59    602.269  9328.46    609.541  121.059 4.5933  131.015 4.2955  -9.955910      6.288813  
1 1 1 4   19  24 o 227.348 4.2973  28131.18   1058.18  28267.40   1495.26  27994.51   1497.71  227.335 6.0727  226.220 6.1126  1.114746       8.616373  
1 1 1 4   19  25 o 125.015 3.1273  8495.39    423.455  8944.80    600.887  8052.02    596.844  128.059 4.3322  121.459 4.5369  6.600647       6.273110  
1 1 1 4   19  26 o 97.503  2.8581  5169.94    301.834  5490.70    395.327  4721.60    467.377  100.353 3.6371  92.745  4.6676  7.607788       5.917370  
1 1 1 4   19  27 o 83.256  2.7903  3772.42    251.616  4115.73    403.221  3553.49    322.002  86.669  4.2955  80.655  3.6860  6.013313       5.660185  
1 1 1 4   19  28 o 26.590  1.6266  385.129    46.621   381.569    47.399   490.901    258.362  26.463  1.6622  28.915  7.9860  -2.451744      8.157103  
1 1 1 4   19  29 o 47.200  2.8157  1220.24    143.290  1073.57    155.849  2021.83    364.345  44.170  3.2811  59.903  5.6837  -15.73246      6.562747  
1 1 1 4   19  30 o 43.125  5.0852  1052.18    232.960  828.563    313.910  1326.31    347.563  37.046  8.0531  47.686  6.9324  -10.63962      10.62590  
1 1 1 4   19  31 o 47.684  2.2480  1240.65    116.105  1281.31    318.282  1234.40    124.698  46.863  6.4409  47.473  2.4333  -0.6100655     6.885177  
1 1 1 4   19  32 o 21.500  7.7009  258.481    227.510  322.362    319.157  192.483    324.403  24.048  9.0353  21.677  8.8142  2.370869       12.62245  
1 1 1 4   19  33 o 35.692  6.2471  784.846    232.706  854.203    310.815  696.376    351.036  35.775  8.1971  31.169  9.5215  4.605759       12.56394  
1 1 1 4   19  34 o 27.568  2.4039  422.915    71.059   672.428    379.310  413.840    72.339   29.555  9.9811  27.245  2.4785  2.310041       10.28420  
1 1 1 4   19  35 o 15.130  7.1178  -154.3389  299.423  -194.3463  344.882  -31.8759   603.396  15.814  7.4992  20.939  9.9264  -5.124382      12.44074  
1 1 1 4   19  36 f 14.552  6.9506  -213.8348  307.270  -351.0815  350.190  245.388    640.566  14.475  7.0374  22.448  10.512  -7.973103      12.65059  
1 1 1 4   20  0  o 140.982 2.9178  10766.87   445.551  11187.38   630.416  10347.20   629.792  143.691 4.0507  138.187 4.2078  5.503815       5.840714  
1 1 1 4   20  1  f 227.616 4.3056  28073.66   1061.46  27701.63   1501.16  28445.66   1501.10  226.036 6.1317  229.055 6.0506  -3.018951      8.614397  
1 1 1 4   20  2  o 267.802 4.7644  38864.93   1381.94  38914.45   1954.46  38815.43   1954.25  267.883 6.7362  267.541 6.7440  0.3414001      9.531932  
1 1 1 4   20  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   20  4  o 48.564  2.4070  1277.41    126.607  966.408    264.054  1370.26    144.272  41.800  6.0047  50.227  2.6615  -8.426666      6.568153  
1 1 1 4   20  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   20  6  o 599.212 11.710  194873.80  7599.94  179970.59  13164.70 202323.41  9307.56  574.422 21.160  610.260 14.082  -35.83881      25.41700  
1 1 1 4   20  7  o 314.216 6.3133  53500.48   2148.60  54240.48   3724.01  53131.24   2630.59  316.196 10.874  313.082 7.7575  3.113495       13.35742  
1 1 1 4   20  8  o 248.964 4.5094  33577.50   1215.96  29826.63   2433.28  34825.93   1403.81  234.517 9.5796  253.538 5.1121  -19.02124      10.85827  
1 1 1 4   20  9  o 620.711 10.297  209015.91  6922.87  211907.50  9790.55  206124.50  9790.29  624.458 14.476  615.848 14.677  8.609619       20.61477  
1 1 1 4   20  10 o 424.975 10.145  97988.05   4669.83  95707.06   6603.69  100269.70  6604.58  419.591 14.531  429.513 14.197  -9.921997      20.31504  
1 1 1 4   20  11 o 139.589 3.5261  10554.86   533.110  11096.03   654.237  9485.45    919.693  143.115 4.2207  132.290 6.4187  10.82509       7.682025  
1 1 1 4   20  12 o 266.220 4.7429  38403.13   1367.59  38939.42   1933.77  37866.52   1934.36  268.000 6.6619  264.278 6.7578  3.722137       9.489429  
1 1 1 4   20  13 o 362.918 6.1134  71411.05   2403.05  73664.77   3398.45  69157.37   3398.41  368.397 8.5171  356.922 8.7909  11.47510       12.24014  
1 1 1 4   20  14 o 267.483 4.7552  38780.93   1377.64  40126.45   1948.29  37435.45   1948.26  271.971 6.6140  262.677 6.8479  9.294067       9.520386  
1 1 1 4   20  15 o 374.001 8.2215  76003.70   3330.40  75617.88   3680.62  77746.53   7822.73  372.909 9.1127  374.980 19.327  -2.070953      21.36741  
1 1 1 4   20  16 o 149.405 3.9539  12099.49   639.821  13188.04   1062.16  11479.55   801.569  155.872 6.2915  145.483 5.0869  10.38824       8.090720  
1 1 1 4   20  17 o 161.849 3.6037  14198.72   631.733  12555.69   935.670  15575.13   856.395  152.096 5.6798  169.461 4.6659  -17.36520      7.350581  
1 1 1 4   20  18 o 286.834 5.0994  44646.64   1584.23  44903.24   2240.28  44389.96   2240.60  287.366 7.1978  285.712 7.2405  1.653992       10.20940  
1 1 1 4   20  19 o 149.878 4.6896  12188.70   761.277  12685.30   1076.61  11692.12   1076.60  152.764 6.5068  146.639 6.7785  6.125366       9.396133  
1 1 1 4   20  20 o 114.889 4.3372  7161.68    539.701  6604.38    762.761  7720.41    763.745  110.019 6.4290  119.190 5.9161  -9.171204      8.736868  
1 1 1 4   20  21 o 213.678 4.0782  24775.32   943.837  24595.09   1332.94  24956.57   1336.64  212.685 5.7863  214.247 5.7601  -1.561111      8.164582  
1 1 1 4   20  22 o 121.005 3.0935  7940.78    405.436  7892.69    569.703  7990.13    577.116  120.554 4.3631  121.294 4.3929  -0.7394714     6.191496  
1 1 1 4   20  23 o 188.585 3.7642  19313.45   768.856  18412.13   1084.93  20222.77   1089.74  183.852 5.4483  192.726 5.2205  -8.873810      7.545715  
1 1 1 4   20  24 o 101.391 3.0186  5581.40    331.499  5822.68    465.236  5332.57    472.468  103.443 4.1524  98.963  4.4079  4.479225       6.055736  
1 1 1 4   20  25 o 87.253  2.7181  4134.81    256.871  3832.39    334.071  4572.21    401.765  83.901  3.6762  91.591  4.0500  -7.689682      5.469622  
1 1 1 4   20  26 o 64.432  2.5728  2255.98    179.549  2076.72    208.544  2769.55    352.981  61.690  3.1314  70.975  4.6168  -9.285126      5.578625  
1 1 1 4   20  27 o 63.940  2.3255  2221.77    161.047  1737.78    319.066  2387.23    186.555  55.894  5.3352  66.249  2.5999  -10.35509      5.935016  
1 1 1 4   20  28 o 58.935  3.5851  1907.29    227.762  2071.93    325.633  1749.59    318.687  61.060  4.9669  55.969  5.3211  5.090935       7.279027  
1 1 1 4   20  29 o 26.239  2.4255  378.208    68.153   351.992    69.719   942.196    323.371  25.280  2.5825  39.934  7.7559  -14.65347      8.174542  
1 1 1 4   20  30 o 41.622  5.1664  982.704    227.896  657.313    303.544  1403.07    345.011  32.786  8.4832  49.188  6.6461  -16.40218      10.77665  
1 1 1 4   20  31 o 28.809  7.0690  500.726    218.922  518.071    290.631  477.975    332.852  28.968  8.6226  28.056  9.3498  0.9119091      12.71881  
1 1 1 4   20  32 o 20.407  7.4574  224.071    214.740  336.391    284.385  75.072     327.544  23.955  8.6066  19.817  8.5050  4.137810       12.09995  
1 1 1 4   20  33 o 6.8009  2.8109  7.9507     33.681   9.8402     33.932   -118.4327  277.515  6.9213  2.8366  15.444  7.1245  -8.522268      7.668439  
1 1 1 4   20  34 o 25.556  9.0876  466.840    316.284  164.804    369.923  1287.72    609.847  20.646  8.9501  36.979  12.655  -16.33304      15.50009  
1 1 1 4   20  35 o 20.144  8.4579  217.071    312.033  179.410    363.038  323.564    610.478  20.179  8.8058  23.613  10.771  -3.434208      13.91247  
1 1 1 4   20  36 o 23.659  9.5687  441.931    380.030  357.665    457.970  628.257    681.006  22.616  9.8792  25.445  11.516  -2.828991      15.17277  
1 1 1 4   21  0  o 588.378 19.693  189620.91  12550.08 189620.91  12550.08 0.0000     0.0000   588.378 19.693  ?       ?       0.000000       19.69337  
1 1 1 4   21  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   21  2  o 322.466 8.2336  56414.90   2875.69  60386.80   4064.28  52432.96   4069.41  333.362 11.256  310.551 12.098  22.81067       16.52503  
1 1 1 4   21  3  o 412.540 7.8352  92300.03   3500.95  90308.01   4287.11  96287.77   6065.71  407.906 9.7036  420.783 13.309  -12.87677      16.47108  
1 1 1 4   21  4  o 556.908 18.607  169136.30  11223.43 169136.30  11223.43 0.0000     0.0000   556.908 18.607  ?       ?       0.000000       18.60680  
1 1 1 4   21  5  o 597.119 19.885  194405.41  12860.19 194405.41  12860.19 0.0000     0.0000   597.119 19.885  ?       ?       0.000000       19.88456  
1 1 1 4   21  6  o 99.028  2.6117  5311.26    280.126  5027.91    566.778  5402.85    322.235  96.178  5.4634  99.876  2.9788  -3.698486      6.222710  
1 1 1 4   21  7  o 101.535 2.6689  5583.71    293.509  5054.20    590.811  5757.21    338.194  96.416  5.6827  103.099 3.0286  -6.683853      6.439376  
1 1 1 4   21  8  o 730.259 17.047  290111.41  13483.02 287508.19  19068.33 292714.41  19067.41 725.290 24.273  731.888 24.053  -6.597778      34.17260  
1 1 1 4   21  9  o 361.242 6.1553  70715.07   2408.35  72866.52   4819.48  69999.03   2780.39  366.360 12.146  359.369 7.1432  6.991089       14.09055  
1 1 1 4   21  10 o 637.794 17.842  221586.00  12325.03 0.0000     0.0000   221586.00  12325.03 ?       ?       637.794 17.842  0.000000       17.84176  
1 1 1 4   21  11 o 109.012 3.1737  6436.95    374.727  6852.67    462.711  5644.68    638.770  112.472 3.7984  101.892 5.8122  10.57995       6.943257  
1 1 1 4   21  12 o 127.386 2.9531  8789.88    407.446  9471.50    569.646  8075.89    583.018  132.221 3.9777  122.086 4.4091  10.13504       5.938201  
1 1 1 4   21  13 o 61.555  2.1415  2052.27    142.779  2037.58    252.446  2059.18    173.129  61.205  3.8274  61.657  2.5925  -0.4516220     4.622748  
1 1 1 4   21  14 f 92.008  2.6760  4585.79    266.673  4609.66    376.121  4561.65    378.153  92.234  3.7650  91.751  3.8053  0.4821320      5.353080  
1 1 1 4   21  15 o 319.750 8.2871  55561.82   2869.99  53737.76   3289.63  61374.38   5872.34  314.260 9.6647  334.416 16.213  -20.15558      18.87476  
1 1 1 4   21  16 o 241.510 5.1200  31636.67   1339.30  31259.21   2313.84  31826.84   1642.39  239.685 8.9130  242.141 6.2623  -2.456116      10.89302  
1 1 1 4   21  17 o 441.542 7.4174  105988.10  3547.28  104331.30  5015.74  107646.00  5017.47  437.206 10.592  444.149 10.430  -6.943573      14.86528  
1 1 1 4   21  18 o 240.159 8.7760  31425.65   2282.78  31063.68   3228.34  31787.63   3228.35  237.691 12.585  240.494 12.436  -2.802856      17.69296  
1 1 1 4   21  19 o 109.262 4.2509  6475.53    503.059  6274.55    710.278  6677.81    712.593  107.286 6.1379  110.710 5.9647  -3.424034      8.558757  
1 1 1 4   21  20 o 307.224 6.2621  51318.87   2083.76  53097.54   3609.19  50429.54   2552.08  311.318 10.704  304.231 7.7450  7.087128       13.21192  
1 1 1 4   21  21 o 199.668 4.0757  21633.49   881.415  20482.90   1322.46  22553.10   1182.30  194.017 6.2932  203.719 5.3583  -9.702057      8.265351  
1 1 1 4   21  22 o 209.296 4.0357  23780.87   914.859  23099.86   1291.66  24466.41   1295.96  206.010 5.7888  212.043 5.6428  -6.032623      8.084050  
1 1 1 4   21  23 o 84.747  3.0504  3896.81    279.997  4075.51    391.211  3709.13    400.918  86.598  4.1709  82.468  4.5055  4.129753       6.139756  
1 1 1 4   21  24 o 166.737 3.5061  15108.98   633.174  13859.60   892.479  16375.10   898.437  159.366 5.1705  173.320 4.7860  -13.95422      7.045533  
1 1 1 4   21  25 o 42.112  4.0142  975.228    180.877  1051.64    248.787  889.545    263.440  43.491  5.3975  39.741  6.3329  3.750629       8.320970  
1 1 1 4   21  26 o 89.703  2.8155  4375.99    273.552  4566.56    351.025  4081.28    436.525  91.524  3.5411  86.186  4.6940  5.338135       5.879850  
1 1 1 4   21  27 o 169.166 3.5821  15628.88   656.322  16219.47   929.834  15042.48   926.532  171.650 5.0014  165.208 5.1780  6.441635       7.198975  
1 1 1 4   21  28 o 60.893  3.5691  2035.72    234.368  2535.73    339.356  1579.75    324.066  67.678  4.6579  53.018  5.7348  14.66016       7.388105  
1 1 1 4   21  29 o 38.933  1.7008  823.287    71.718   842.920    73.612   456.474    318.184  39.392  1.7253  28.023  9.1321  11.36903       9.293622  
1 1 1 4   21  30 o 49.241  2.4920  1326.79    132.475  1294.44    142.744  1527.64    355.696  48.586  2.7235  51.386  6.5391  -2.799088      7.083609  
1 1 1 4   21  31 o 58.336  2.6861  1863.21    169.719  2157.30    348.495  1771.77    194.321  61.628  5.2717  56.679  3.1782  4.948845       6.155622  
1 1 1 4   21  32 o 34.910  6.2303  730.541    226.933  786.798    301.251  656.736    345.052  35.192  8.0747  31.431  9.4042  3.761000       12.39521  
1 1 1 4   21  33 o 22.953  7.6057  338.413    220.367  321.502    291.887  360.829    336.050  22.847  8.6285  23.927  9.2049  -1.080267      12.61671  
1 1 1 4   21  34 o 27.537  9.2019  557.834    322.369  617.108    378.501  401.260    615.169  28.313  9.9546  25.363  11.249  2.950033       15.02136  
1 1 1 4   21  35 o ?       ?       -245.8635  47.349   -186.9011  342.436  -247.0128  47.809   15.796  7.4855  ?       ?       0.000000       7.485454  
1 1 1 4   21  36 f 24.960  9.1886  500.001    326.865  465.214    381.725  595.615    632.843  24.030  9.6351  25.217  11.282  -1.186409      14.83644  
1 1 1 4   22  0  o 323.211 5.5678  56620.04   1949.12  59213.15   2756.86  54028.37   2756.09  330.405 7.7037  315.585 8.0632  14.82040       11.15177  
1 1 1 4   22  1  o 542.047 12.767  159779.80  7495.65  149913.00  10600.25 169647.41  10600.66 523.803 18.684  557.503 17.556  -33.70013      25.63793  
1 1 1 4   22  2  o 497.955 11.790  134724.09  6358.61  135428.30  8992.79  134020.00  8992.07  498.441 16.658  495.826 16.744  2.615204       23.61855  
1 1 1 4   22  3  o 432.456 8.5388  101435.30  3999.51  102807.10  4897.84  98690.05   6928.88  435.210 10.390  425.880 15.021  9.329163       18.26470  
1 1 1 4   22  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   22  5  o 502.151 9.5606  136754.80  5199.81  141476.00  9008.80  134396.09  6367.58  510.036 16.308  497.611 11.814  12.42517       20.13770  
1 1 1 4   22  6  o 507.615 9.8707  139746.09  5426.88  140991.70  9401.74  139123.70  6645.81  509.140 17.049  506.297 12.119  2.842865       20.91758  
1 1 1 4   22  7  o 138.874 3.0161  10445.81   453.674  11686.42   912.211  10038.12   522.932  146.863 5.7347  136.133 3.5466  10.72978       6.742790  
1 1 1 4   22  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   22  9  o 107.845 3.1122  6299.62    363.524  0.0000     0.0000   6299.62    363.524  ?       ?       107.845 3.1122  0.000000       3.112159  
1 1 1 4   22  10 o 811.130 18.763  358673.59  16483.78 0.0000     0.0000   358673.59  16483.78 ?       ?       811.130 18.763  0.000000       18.76273  
1 1 1 4   22  11 o 313.209 7.0034  53183.14   2375.80  54635.73   5486.39  52847.88   2635.75  316.334 16.066  312.180 7.7952  4.154297       17.85695  
1 1 1 4   22  12 o 527.375 9.5364  150992.80  5447.23  152009.91  7122.86  149560.00  8454.20  528.688 12.439  523.932 14.898  4.756592       19.40820  
1 1 1 4   22  13 o 335.787 5.7993  61130.94   2109.16  63897.35   2982.46  58363.30   2983.13  343.123 8.0252  327.893 8.3998  15.22913       11.61725  
1 1 1 4   22  14 o 170.745 3.4143  15796.23   631.431  15844.57   893.002  15747.90   892.954  170.965 4.8225  170.442 4.8371  0.5228577      6.830390  
1 1 1 4   22  15 o 143.838 3.6296  11212.07   565.464  11024.56   690.940  11592.39   984.012  142.605 4.4734  146.160 6.2159  -3.555298      7.658222  
1 1 1 4   22  16 o 151.756 3.8096  12482.88   626.167  12828.71   1085.26  12310.30   766.644  153.713 6.5186  150.669 4.6979  3.044510       8.035043  
1 1 1 4   22  17 o 165.049 4.0127  14769.52   717.335  14676.40   879.681  14954.33   1239.29  164.480 4.9379  165.893 6.8972  -1.413452      8.482569  
1 1 1 4   22  18 o 214.373 6.5777  24973.96   1527.26  24963.95   1899.93  24992.27   2567.53  214.125 8.1922  213.479 11.143  0.6468201      13.83030  
1 1 1 4   22  19 o 300.622 7.5376  49192.10   2454.28  50454.55   3470.34  47928.88   3471.40  303.715 10.550  295.937 10.830  7.778381       15.11907  
1 1 1 4   22  20 o 87.727  2.7457  4171.01    260.886  4033.67    339.928  4367.85    406.946  86.245  3.6390  89.726  4.1874  -3.481628      5.547698  
1 1 1 4   22  21 o 39.535  4.4523  859.171    187.329  866.826    259.924  850.898    270.221  39.429  6.2984  39.000  6.6348  0.4292030      9.148204  
1 1 1 4   22  22 o 70.223  3.2218  2674.86    245.051  3026.46    343.077  2308.62    350.141  74.530  4.2677  64.974  5.0142  9.556320       6.584538  
1 1 1 4   22  23 o 176.650 4.0596  16957.40   776.719  18919.69   1097.44  14987.93   1099.45  186.337 5.4377  165.712 6.1256  20.62482       8.190959  
1 1 1 4   22  24 o 99.227  3.0313  5346.58    325.778  5757.53    466.474  4955.30    455.172  102.843 4.1878  95.384  4.4059  7.459831       6.078572  
1 1 1 4   22  25 o 119.866 3.0890  7811.91    401.039  8197.54    575.268  7447.29    559.375  122.554 4.3338  116.793 4.4220  5.761368       6.191601  
1 1 1 4   22  26 o 23.593  1.6476  303.358    41.837   303.778    42.353   286.427    269.008  23.608  1.6671  23.842  8.3914  -0.2343979     8.555356  
1 1 1 4   22  27 o 41.515  4.7699  959.455    210.580  1017.25    294.983  899.395    300.709  42.246  6.6680  39.483  7.3007  2.762573       9.887501  
1 1 1 4   22  28 o 35.071  1.6272  667.560    61.810   478.486    278.031  677.390    63.396   28.580  8.4152  35.327  1.6569  -6.747095      8.576743  
1 1 1 4   22  29 o 12.733  5.9906  -211.9540  212.117  -369.5959  311.296  -75.3195   289.812  14.747  7.0304  17.288  7.6918  -2.540977      10.42063  
1 1 1 4   22  30 o 47.688  1.4962  1235.12    77.281   1062.91    129.098  1331.29    96.477   44.010  2.7217  49.477  1.8003  -5.467396      3.263221  
1 1 1 4   22  31 o 77.996  3.5038  3357.29    295.990  3295.52    400.869  3431.34    438.898  76.478  4.8648  77.805  5.2387  -1.327232      7.149101  
1 1 1 4   22  32 o 45.846  2.5219  1157.53    124.748  1210.81    350.124  1149.78    133.510  44.165  7.5930  45.633  2.7135  -1.467400      8.063307  
1 1 1 4   22  33 o 32.873  6.6683  681.449    229.304  664.570    303.666  703.841    349.767  30.965  8.6962  31.230  9.4964  -0.2648716     12.87655  
1 1 1 4   22  34 o 21.011  3.2965  253.628    72.548   806.481    379.539  232.662    73.911   32.350  9.9036  20.021  3.5378  12.32871       10.51654  
1 1 1 4   22  35 o 23.799  9.0204  419.388    319.722  580.643    373.962  -18.7174   616.395  26.676  9.8271  21.041  9.9917  5.635309       14.01449  
1 1 1 4   22  36 o 20.801  8.6327  276.961    319.567  124.702    368.427  739.516    642.158  19.160  8.5876  26.548  11.645  -7.388424      14.46890  
1 1 1 4   23  0  o 538.701 18.040  158353.50  10525.63 158353.50  10525.63 0.0000     0.0000   538.701 18.040  ?       ?       0.000000       18.03974  
1 1 1 4   23  1  o 451.576 10.757  110722.80  5261.49  110336.10  7441.12  111109.50  7440.63  450.192 15.261  451.776 15.206  -1.583557      21.54316  
1 1 1 4   23  2  o 466.324 11.087  118067.90  5599.71  116477.80  7919.44  119657.80  7918.93  462.560 15.807  468.864 15.594  -6.304565      22.20435  
1 1 1 4   23  3  o 477.634 9.1848  123742.20  4751.52  124541.80  5818.85  122142.00  8231.44  478.988 11.216  473.768 16.041  5.220734       19.57357  
1 1 1 4   23  4  o 550.909 10.632  164671.91  6343.85  160005.59  7768.97  174009.00  10989.62 542.769 13.215  565.328 17.948  -22.55908      22.28833  
1 1 1 4   23  5  o 231.743 4.3071  29092.23   1081.09  27143.28   2166.35  29738.55   1247.54  223.742 8.9395  234.293 4.9162  -10.55164      10.20209  
1 1 1 4   23  6  o 383.752 6.5379  79802.48   2717.45  76276.22   5437.84  80976.21   3137.28  374.801 13.395  386.526 7.4938  -11.72546      15.34909  
1 1 1 4   23  7  o 117.462 2.8070  7472.92    357.118  7376.94    719.660  7504.27    411.336  116.684 5.6944  117.706 3.2265  -1.022392      6.544923  
1 1 1 4   23  8  o 381.588 6.5412  78909.55   2703.49  78761.79   5411.25  78958.70   3120.90  380.833 13.119  381.663 7.5497  -0.8298645     15.13605  
1 1 1 4   23  9  o 484.531 9.3513  127334.30  4907.52  0.0000     0.0000   127334.30  4907.52  ?       ?       484.531 9.3513  0.000000       9.351267  
1 1 1 4   23  10 o 532.226 10.304  153718.30  5939.95  146141.20  10289.93 157505.09  7274.34  517.789 18.348  538.484 12.472  -20.69543      22.18585  
1 1 1 4   23  11 o 505.372 8.3954  138536.09  4595.40  143254.30  9191.92  136963.91  5306.09  512.715 16.552  502.355 9.7520  10.36020       19.21150  
1 1 1 4   23  12 o 665.105 14.179  240938.80  10214.34 251233.50  24737.81 238823.00  11215.00 669.208 34.244  661.767 15.647  7.441284       37.64953  
1 1 1 4   23  13 o 368.240 6.2069  73534.06   2475.57  77533.07   3501.30  69536.50   3500.67  377.890 8.5545  357.820 9.0327  20.07025       12.44058  
1 1 1 4   23  14 o 60.523  2.7301  1984.39    178.969  2157.14    254.971  1816.62    251.269  62.982  3.7548  57.756  4.0422  5.225754       5.517063  
1 1 1 4   23  15 o 344.690 6.8905  64506.57   2572.48  65510.86   3150.52  62497.59   4455.96  347.152 8.3790  338.372 12.158  8.779816       14.76600  
1 1 1 4   23  16 f 151.327 4.6607  12418.10   763.898  12832.71   1081.27  12004.95   1079.36  153.735 6.4937  148.681 6.7026  5.053528       9.332319  
1 1 1 4   23  17 o 155.232 4.7414  13070.95   797.190  12986.08   1127.52  13155.78   1127.27  154.600 6.7335  155.611 6.6884  -1.010254      9.490778  
1 1 1 4   23  18 o 190.704 6.0088  19753.09   1241.14  19676.61   1566.02  19882.27   2035.26  190.167 7.6031  190.600 9.8929  -0.4321747     12.47706  
1 1 1 4   23  19 o 113.302 3.0385  6957.92    372.883  6847.58    526.479  7068.98    528.196  112.352 4.3265  114.156 4.2720  -1.804268      6.080121  
1 1 1 4   23  20 o 226.040 4.2547  27722.92   1041.65  28241.19   1472.64  27203.98   1473.59  227.933 5.9651  223.692 6.0821  4.241394       8.519108  
1 1 1 4   23  21 o 62.010  3.3809  2091.53    226.216  1888.26    318.904  2297.41    320.942  58.740  5.0620  64.886  4.5965  -6.146397      6.837502  
1 1 1 4   23  22 o 209.436 4.0418  23815.95   916.846  23319.22   1295.98  24313.65   1297.25  206.960 5.7815  211.348 5.6670  -4.388657      8.095752  
1 1 1 4   23  23 o 117.795 3.0329  7529.35    386.949  7690.70    543.309  7363.26    551.235  118.940 4.2175  116.363 4.3737  2.576431       6.075882  
1 1 1 4   23  24 o 137.197 3.2611  10226.73   484.599  9912.15    670.717  10570.29   700.935  134.855 4.5920  139.250 4.6474  -4.394241      6.533376  
1 1 1 4   23  25 o 78.979  3.1156  3392.06    266.511  3537.36    387.709  3261.91    366.953  80.354  4.4725  77.166  4.4088  3.188774       6.280189  
1 1 1 4   23  26 o 23.268  0.8059  293.296    20.310   212.944    26.964   398.673    30.879   19.781  1.2652  27.124  1.0511  -7.343655      1.644820  
1 1 1 4   23  27 o 39.181  4.9280  857.806    204.505  803.108    285.202  915.695    293.401  37.237  7.3324  39.911  7.0448  -2.674252      10.16826  
1 1 1 4   23  28 o 28.218  6.5154  463.434    195.103  409.837    271.980  520.250    280.031  26.728  8.4172  29.682  8.3563  -2.953630      11.86072  
1 1 1 4   23  29 o 73.202  2.8165  2926.40    223.310  3092.97    380.019  2838.54    275.987  74.553  4.7307  71.920  3.5430  2.632431       5.910362  
1 1 1 4   23  30 o 62.052  3.8077  2132.47    254.670  2093.14    346.022  2178.95    376.180  60.849  5.3033  61.907  5.6734  -1.058582      7.766090  
1 1 1 4   23  31 o 41.353  1.5071  929.427    67.504   961.997    68.924   163.005    334.344  42.071  1.5126  21.726  8.9040  20.34507       9.031553  
1 1 1 4   23  32 o 30.669  6.8717  581.472    222.604  526.011    293.046  657.133    342.274  28.396  8.7038  31.284  9.3677  -2.888428      12.78709  
1 1 1 4   23  33 o 33.052  7.8319  724.441    276.079  952.910    451.072  587.589    349.105  35.041  10.808  28.574  9.5758  6.466776       14.43997  
1 1 1 4   23  34 o 24.771  9.0372  433.649    315.164  518.640    369.145  205.114    605.321  26.363  9.7539  23.479  10.716  2.883614       14.49033  
1 1 1 4   23  35 o 18.555  8.0965  121.973    306.849  194.777    355.002  -93.1232   610.191  20.221  8.7667  20.485  9.7871  -0.2638283     13.13939  
1 1 1 4   23  36 o 19.879  9.5745  -123.6732  610.864  0.0000     0.0000   -123.6732  610.864  ?       ?       19.879  9.5745  0.000000       9.574539  
1 1 1 4   24  0  o 258.104 4.5468  36092.39   1271.06  35921.78   1797.80  36262.90   1797.31  257.438 6.4476  258.659 6.4154  -1.220551      9.095560  
1 1 1 4   24  1  o 121.453 2.9630  7989.69    389.766  7665.74    564.107  8285.62    539.162  118.953 4.3784  123.672 4.0251  -4.719612      5.947437  
1 1 1 4   24  2  o 641.871 21.349  225010.09  14842.02 0.0000     0.0000   225010.09  14842.02 ?       ?       641.871 21.349  0.000000       21.34887  
1 1 1 4   24  3  o 381.977 6.6949  79076.23   2769.83  79194.70   3917.13  78957.76   3917.12  382.117 9.4646  381.544 9.4788  0.5729370      13.39497  
1 1 1 4   24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   24  5  o 526.096 12.409  150229.59  7070.83  150183.20  10000.32 150276.00  9999.02  525.416 17.573  525.580 17.565  -0.1634521     24.84617  
1 1 1 4   24  6  o 658.960 18.091  236297.20  12912.19 240125.41  15340.51 226993.91  23914.26 663.650 21.342  640.886 34.579  22.76367       40.63495  
1 1 1 4   24  7  o 766.400 25.390  321262.41  21076.08 321262.41  21076.08 0.0000     0.0000   766.400 25.390  ?       ?       0.000000       25.39010  
1 1 1 4   24  8  o 198.323 3.7885  21305.42   813.794  22397.48   1637.71  20947.36   937.765  203.274 7.4385  196.642 4.4030  6.632568       8.643914  
1 1 1 4   24  9  o 739.586 17.292  297805.91  13851.89 0.0000     0.0000   297805.91  13851.89 ?       ?       739.586 17.292  0.000000       17.29218  
1 1 1 4   24  10 o 182.840 4.2540  18110.95   842.440  17013.84   1465.54  18652.38   1029.54  177.144 7.6383  185.538 5.1232  -8.393585      9.197344  
1 1 1 4   24  11 o 501.063 8.8708  136221.59  4814.20  126555.00  13701.58 137583.09  5142.06  478.682 26.531  503.499 9.4290  -24.81714      28.15683  
1 1 1 4   24  12 o 137.448 3.0568  10233.86   455.065  10219.49   918.721  10238.54   523.841  137.293 6.1783  137.473 3.5181  -0.1807251     7.109711  
1 1 1 4   24  13 o 315.211 6.1739  53882.62   2107.81  58323.59   3653.79  51667.52   2580.49  327.536 10.299  308.542 7.7218  18.99365       12.87264  
1 1 1 4   24  14 o 146.486 3.6853  11627.98   584.707  12435.24   1016.61  11228.94   714.760  151.400 6.1996  143.926 4.5851  7.473465       7.710883  
1 1 1 4   24  15 o 234.364 5.0151  29786.72   1273.05  31233.05   1559.16  26894.16   2204.96  239.915 6.0002  222.337 9.1563  17.57864       10.94712  
1 1 1 4   24  16 o 75.236  4.1277  3077.99    335.078  3149.94    473.084  3005.56    474.665  75.965  5.7935  74.176  5.9584  1.788940       8.310693  
1 1 1 4   24  17 o 198.785 5.4850  21446.68   1180.94  22109.86   1670.90  20784.76   1669.31  201.625 7.6513  195.464 7.8850  6.161148       10.98705  
1 1 1 4   24  18 o 271.608 5.8282  40062.41   1714.55  42176.58   2424.58  37947.69   2424.90  278.332 8.0427  263.932 8.4827  14.40063       11.68934  
1 1 1 4   24  19 o 419.361 7.0829  95677.88   3217.11  90790.21   4548.65  100570.00  4550.73  407.467 10.307  429.053 9.7926  -21.58630      14.21702  
1 1 1 4   24  20 o 132.278 3.1713  9486.06    454.357  9548.25    641.684  9423.53    643.435  132.641 4.4666  131.769 4.5084  0.8718262      6.346329  
1 1 1 4   24  21 o 104.322 3.0330  5900.62    342.707  5466.32    483.389  6339.51    485.943  100.342 4.4478  108.077 4.1513  -7.735008      6.084084  
1 1 1 4   24  22 f 74.683  3.1528  3025.46    255.025  3212.72    360.105  2837.04    361.217  76.781  4.3480  72.103  4.6502  4.678513       6.366260  
1 1 1 4   24  23 o 30.741  5.5853  531.100    179.115  458.349    251.841  605.569    254.797  28.467  7.8930  32.605  7.3863  -4.137505      10.81001  
1 1 1 4   24  24 o 92.031  2.8044  4598.25    279.544  4449.20    423.214  4713.62    372.326  90.372  4.3237  93.093  3.6926  -2.721169      5.685932  
1 1 1 4   24  25 o 117.503 3.1089  7509.10    395.663  7541.29    566.453  7478.43    552.896  117.493 4.4512  117.022 4.3622  0.4705963      6.232349  
1 1 1 4   24  26 f 30.668  1.3191  509.828    43.817   638.118    62.708   387.431    61.251   34.299  1.6880  26.628  2.1419  7.671684       2.727074  
1 1 1 4   24  27 o 25.672  6.7490  381.596    190.138  509.608    264.052  243.740    274.017  29.516  8.0412  22.806  8.4104  6.709270       11.63600  
1 1 1 4   24  28 o 75.458  2.7176  3103.01    222.107  3721.57    381.666  2786.27    273.116  82.142  4.3049  71.348  3.5342  10.79346       5.569827  
1 1 1 4   24  29 o 70.120  3.5567  2705.84    269.236  2425.28    365.747  3037.69    397.781  65.788  5.1747  73.742  5.0100  -7.954918      7.202632  
1 1 1 4   24  30 o 26.127  7.1185  407.953    206.924  -8.2463    274.448  956.208    314.993  17.631  7.6760  39.996  7.5480  -22.36542      10.76541  
1 1 1 4   24  31 o 77.261  2.4939  3265.32    208.697  2997.59    292.153  3544.29    298.223  73.601  3.6649  80.135  3.4360  -6.534210      5.023639  
1 1 1 4   24  32 o 25.904  1.9210  368.490    53.513   371.739    54.197   242.272    337.826  26.016  1.9373  22.474  9.0454  3.541967       9.250540  
1 1 1 4   24  33 o 5.8651  2.7781  -54.1043   47.064   278.160    351.090  -60.1841   47.492   22.538  9.1676  5.7618  2.7467  16.77640       9.570198  
1 1 1 4   24  34 o 16.116  6.9829  49.929     224.954  29.733     243.116  170.152    593.153  16.240  7.1432  23.031  10.548  -6.790827      12.73885  
1 1 1 4   24  35 o 32.559  2.1159  587.670    74.212   0.0000     0.0000   587.670    74.212   ?       ?       32.559  2.1159  0.000000       2.115875  
1 1 1 4   25  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   25  1  o 178.683 3.5242  17294.27   682.053  16728.11   964.707  17860.10   964.431  175.713 5.0690  181.564 4.9042  -5.850555      7.053096  
1 1 1 4   25  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   25  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   25  4  o 610.068 14.186  202156.70  9373.37  216886.59  13256.88 187431.00  13255.00 631.089 19.395  586.416 20.869  44.67383       28.48981  
1 1 1 4   25  5  o 236.079 4.2889  30190.58   1096.66  30099.07   1551.59  30281.93   1550.24  235.689 6.0781  236.404 6.0544  -0.7153320     8.579014  
1 1 1 4   25  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   25  7  o 805.514 26.686  355327.09  23282.13 355327.09  23282.13 0.0000     0.0000   805.514 26.686  ?       ?       0.000000       26.68575  
1 1 1 4   25  8  o 526.783 10.171  150541.00  5802.96  0.0000     0.0000   150541.00  5802.96  ?       ?       526.783 10.171  0.000000       10.17063  
1 1 1 4   25  9  o 425.661 10.182  98309.25   4694.11  0.0000     0.0000   98309.25   4694.11  ?       ?       425.661 10.182  0.000000       10.18167  
1 1 1 4   25  10 o 674.002 12.874  246864.00  9397.91  246591.20  16279.33 247000.30  11509.45 671.298 22.390  673.608 15.775  -2.309753      27.38913  
1 1 1 4   25  11 o 278.039 4.8948  41890.41   1474.04  43789.38   2950.45  41258.78   1701.61  284.026 9.5909  275.905 5.6942  8.120941       11.15388  
1 1 1 4   25  12 o 342.699 6.3310  63680.77   2349.94  66245.36   6495.94  63294.61   2520.65  348.144 17.227  341.625 6.8123  6.519287       18.52513  
1 1 1 4   25  13 o 271.798 4.8171  40042.42   1418.10  39518.18   2834.08  40217.52   1637.89  269.646 9.7039  272.352 5.5524  -2.705872      11.18015  
1 1 1 4   25  14 o 154.087 4.0155  12867.79   670.162  13998.85   1322.43  12476.94   777.375  160.557 7.6045  151.706 4.7311  8.850891       8.956109  
1 1 1 4   25  15 o 281.086 7.0964  42908.63   2160.46  42689.76   3054.80  43127.66   3055.90  279.968 10.074  281.408 10.026  -1.439789      14.21300  
1 1 1 4   25  16 o 486.697 11.609  129410.10  6119.81  127996.10  8654.06  130824.60  8655.37  481.847 16.582  487.236 16.401  -5.388397      23.32311  
1 1 1 4   25  17 o 575.143 11.101  180789.41  6914.99  189944.41  11977.25 176212.00  8469.06  584.467 18.920  566.404 13.805  18.06238       23.42127  
1 1 1 4   25  18 o 312.257 5.9470  52959.37   2011.30  51955.49   2646.90  54331.00   3093.96  308.935 7.9104  315.665 9.0493  -6.730988      12.01939  
1 1 1 4   25  19 o 418.952 7.1121  95501.34   3227.25  97822.02   4563.68  93179.96   4564.37  423.059 9.9597  412.803 10.209  10.25562       14.26222  
1 1 1 4   25  20 o 197.959 3.8840  21257.39   832.758  21578.25   1177.04  20935.81   1178.36  199.287 5.4531  196.287 5.5426  2.999649       7.775395  
1 1 1 4   25  21 o 98.493  3.0235  5259.82    322.542  5070.34    454.801  5451.56    457.497  96.641  4.3450  100.215 4.2149  -3.574554      6.053449  
1 1 1 4   25  22 o 87.572  2.7729  4158.55    263.007  4280.62    343.170  3984.78    409.441  88.811  3.5676  85.523  4.4354  3.287872       5.692140  
1 1 1 4   25  23 o 238.883 4.4402  31047.33   1148.84  30315.04   1623.90  31781.07   1625.50  235.474 6.3672  241.152 6.2234  -5.677475      8.903440  
1 1 1 4   25  24 o 113.251 3.0442  6967.16    373.412  7132.69    527.728  6801.19    528.441  114.422 4.2583  111.714 4.3674  2.707848       6.099722  
1 1 1 4   25  25 o 67.648  3.4045  2497.46    248.650  2335.48    345.404  2671.69    358.234  65.132  4.9328  69.721  4.7726  -4.589249      6.863704  
1 1 1 4   25  26 f 35.802  1.1863  694.688    46.002   721.895    65.657   668.455    64.471   36.482  1.6616  35.105  1.6956  1.377430       2.374061  
1 1 1 4   25  27 f 78.234  3.2589  3339.94    276.148  3466.29    385.213  3206.36    396.077  79.306  4.5032  76.166  4.8262  3.140068       6.600803  
1 1 1 4   25  28 o 81.658  3.2237  3643.69    285.116  3445.89    397.964  3852.28    408.681  78.890  4.6784  83.480  4.5370  -4.589874      6.516985  
1 1 1 4   25  29 o 47.170  1.6046  1208.40    81.980   772.023    284.320  1247.97    85.616   36.064  7.5222  47.933  1.6491  -11.86826      7.700896  
1 1 1 4   25  30 o 31.385  6.4258  580.946    211.084  776.344    279.634  322.133    321.828  35.990  7.4202  24.713  9.1145  11.27728       11.75300  
1 1 1 4   25  31 o 66.518  3.7274  2458.58    267.458  2387.89    361.945  2543.61    396.961  64.781  5.2024  66.654  5.5490  -1.872986      7.606335  
1 1 1 4   25  32 o 38.383  1.4615  801.927    60.757   532.833    85.938   1070.84    85.908   31.018  2.5815  44.297  1.7906  -13.27936      3.141679  
1 1 1 4   25  33 f 17.342  7.8990  -59.3693   326.827  0.0000     0.0000   -59.3693   326.827  ?       ?       17.342  7.8990  0.000000       7.898976  
1 1 1 4   25  34 o 31.190  12.511  952.206    643.928  0.0000     0.0000   952.206    643.928  ?       ?       31.190  12.511  0.000000       12.51116  
1 1 1 4   25  35 o 21.460  10.107  71.802     606.961  0.0000     0.0000   71.802     606.961  ?       ?       21.460  10.107  0.000000       10.10748  
1 1 1 4   26  0  o 434.780 8.1164  102482.40  3822.09  106313.90  6622.73  100568.90  4680.14  442.378 13.822  430.578 10.035  11.79935       17.08099  
1 1 1 4   26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   26  2  o 554.686 13.040  167061.00  7833.92  169393.91  11079.47 164728.80  11078.20 557.830 18.338  550.055 18.595  7.775085       26.11597  
1 1 1 4   26  3  o 677.515 22.472  250449.70  16490.64 250449.70  16490.64 0.0000     0.0000   677.515 22.472  ?       ?       0.000000       22.47235  
1 1 1 4   26  4  o 557.960 10.907  168887.20  6591.57  169987.20  8072.41  166686.41  11418.57 559.537 13.320  553.334 19.053  6.202759       23.24701  
1 1 1 4   26  5  o 573.089 11.169  178188.00  6932.68  179313.00  8490.45  175937.59  12008.66 574.638 13.642  568.396 19.506  6.241394       23.80307  
1 1 1 4   26  6  o 866.713 28.704  411909.41  26946.05 411909.41  26946.05 0.0000     0.0000   866.713 28.704  ?       ?       0.000000       28.70447  
1 1 1 4   26  7  o 323.576 5.7107  56730.99   2001.42  52750.07   4007.91  58053.49   2310.06  311.746 11.870  327.300 6.5164  -15.55392      13.54096  
1 1 1 4   26  8  o 558.944 10.740  169526.09  6501.67  0.0000     0.0000   169526.09  6501.67  ?       ?       558.944 10.740  0.000000       10.73957  
1 1 1 4   26  9  o 289.424 5.8953  45393.58   1848.02  44995.20   3207.24  45591.59   2261.11  287.958 10.283  290.008 7.1985  -2.049805      12.55247  
1 1 1 4   26  10 o 231.541 4.2713  29044.90   1071.17  28240.75   2147.71  29311.17   1235.86  228.171 8.6905  232.585 4.9059  -4.414490      9.979602  
1 1 1 4   26  11 o 201.070 4.0762  21904.24   887.724  21383.16   2235.10  22001.83   967.289  198.145 10.452  201.509 4.4319  -3.364685      11.35247  
1 1 1 4   26  12 o 585.410 9.6696  186158.59  6131.14  193790.50  12263.23 183615.09  7079.44  594.696 19.039  581.086 11.248  13.61017       22.11338  
1 1 1 4   26  13 o 154.319 3.2989  12902.30   551.389  11999.18   1099.24  13205.93   637.374  148.713 6.8246  156.113 3.7695  -7.400436      7.796405  
1 1 1 4   26  14 o 120.768 4.2289  7905.52    553.166  7616.15    781.197  8196.51    783.397  118.323 6.1166  122.920 5.8842  -4.597122      8.487429  
1 1 1 4   26  15 o 71.564  3.1209  2775.04    241.906  2711.71    286.695  2931.59    450.730  70.633  3.7610  73.284  5.7240  -2.650787      6.849017  
1 1 1 4   26  16 o 125.708 4.3232  8568.62    588.622  8770.05    830.517  8365.32    834.370  127.102 6.0329  124.125 6.2062  2.976273       8.655246  
1 1 1 4   26  17 o 141.480 3.8357  10852.16   587.769  10690.21   1109.09  10915.40   693.102  140.023 7.3386  141.861 4.5109  -1.838303      8.614113  
1 1 1 4   26  18 o 89.700  3.0950  4360.93    300.697  4078.03    578.177  4465.82    352.056  86.414  6.2190  90.760  3.5813  -4.345802      7.176463  
1 1 1 4   26  19 o 207.193 4.1529  23286.48   931.961  21374.76   1404.19  24791.59   1245.94  198.266 6.5389  213.665 5.3838  -15.39896      8.470131  
1 1 1 4   26  20 o 219.804 4.1820  26216.17   995.622  26400.74   1404.86  26029.92   1411.21  220.363 5.8860  218.800 5.9549  1.563126       8.372940  
1 1 1 4   26  21 o ?       ?       -169.1854  22.154   -170.7036  22.252   1.0018     235.595  ?       ?       17.105  7.2735  0.000000       7.273502  
1 1 1 4   26  22 o 125.701 3.1200  8571.64    424.787  8147.28    602.782  8990.29    598.716  122.433 4.5456  128.636 4.2972  -6.202995      6.255312  
1 1 1 4   26  23 o 51.323  3.6990  1438.64    204.243  1467.97    287.356  1408.69    290.354  51.635  5.2093  50.542  5.3871  1.093304       7.493865  
1 1 1 4   26  24 o 76.748  3.0486  3200.11    253.416  3190.22    357.831  3210.07    358.941  76.383  4.3432  76.622  4.3430  -0.2382965     6.142059  
1 1 1 4   26  25 o 108.572 2.9840  6410.08    350.897  6461.25    513.609  6365.29    480.529  108.750 4.3605  107.993 4.1082  0.7574997      5.990918  
1 1 1 4   26  26 o 26.709  1.6923  388.515    48.703   387.991    49.511   404.146    270.612  26.688  1.7220  26.808  8.3885  -0.1195278     8.563446  
1 1 1 4   26  27 o 27.272  1.1991  403.221    35.419   221.975    253.666  406.825    35.770   21.879  8.0874  27.394  1.2056  -5.515137      8.176751  
1 1 1 4   26  28 o 85.554  3.1958  4000.06    296.136  4109.01    414.639  3886.62    423.088  86.236  4.4545  83.777  4.6814  2.459221       6.462045  
1 1 1 4   26  29 o 13.052  6.0197  -140.0666  197.934  -135.9656  248.158  -147.2381  328.160  15.039  6.8627  17.513  7.9530  -2.474568      10.50463  
1 1 1 4   26  30 o 39.322  2.0993  844.742    89.086   790.942    465.722  846.785    90.762   35.012  11.013  39.363  2.1368  -4.351143      11.21800  
1 1 1 4   26  31 o 51.806  5.3470  1537.81    295.715  1509.25    509.514  1552.31    363.133  48.186  10.086  51.283  6.6977  -3.096992      12.10754  
1 1 1 4   26  32 o 17.258  2.1504  165.577    39.324   348.497    454.246  164.195    39.472   25.333  10.380  17.181  2.1695  8.152308       10.60429  
1 1 1 4   26  33 o 29.734  12.101  721.748    612.172  0.0000     0.0000   721.748    612.172  ?       ?       29.734  12.101  0.000000       12.10132  
1 1 1 4   26  34 o 20.329  9.2585  58.137     448.835  0.0000     0.0000   58.137     448.835  ?       ?       20.329  9.2585  0.000000       9.258505  
1 1 1 4   26  35 o 30.054  11.354  874.971    505.487  0.0000     0.0000   874.971    505.487  ?       ?       30.054  11.354  0.000000       11.35378  
1 1 1 4   27  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   27  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   27  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   27  3  o 198.472 3.7824  21336.76   813.097  21199.76   1149.74  21473.84   1150.04  197.813 5.3663  199.088 5.3333  -1.275116      7.565824  
1 1 1 4   27  4  o 573.583 13.486  178637.80  8378.37  174457.00  11849.08 182818.20  11848.51 566.050 19.327  579.527 18.876  -13.47748      27.01565  
1 1 1 4   27  5  o 747.474 24.757  305326.00  20043.29 0.0000     0.0000   305326.00  20043.29 ?       ?       747.474 24.757  0.000000       24.75728  
1 1 1 4   27  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   27  7  o 878.380 20.420  420684.31  19427.34 426094.50  27475.43 415274.91  27473.38 881.068 28.792  869.657 29.167  11.41083       40.98383  
1 1 1 4   27  8  f 144.903 3.5831  11373.49   562.348  0.0000     0.0000   11373.49   562.348  ?       ?       144.903 3.5831  0.000000       3.583087  
1 1 1 4   27  9  o 412.560 8.1517  92295.56   3642.56  85746.95   6313.20  95563.50   4459.76  397.076 14.679  419.678 9.8113  -22.60202      17.65623  
1 1 1 4   27  10 o 181.190 3.6187  17784.36   710.159  17852.16   1429.17  17762.14   818.338  181.452 7.2720  181.067 4.1727  0.3841248      8.384146  
1 1 1 4   27  11 o 535.225 8.9379  155485.50  5181.34  153295.41  10363.72 156215.30  5982.70  529.608 18.067  536.282 10.300  -6.673706      20.79693  
1 1 1 4   27  12 o 248.310 4.5331  33414.45   1219.15  34843.42   2436.43  32937.16   1408.11  253.312 8.8803  246.500 5.2741  6.812439       10.32842  
1 1 1 4   27  13 o 150.546 4.6164  12284.83   752.741  12381.02   1061.17  12187.41   1067.94  151.068 6.4855  149.879 6.5786  1.189682       9.237946  
1 1 1 4   27  14 f 425.028 10.205  98351.45   4697.70  96194.09   6643.27  100509.20  6643.83  419.171 14.633  428.569 14.313  -9.398712      20.46878  
1 1 1 4   27  15 o 194.996 5.3956  20626.91   1139.55  21485.36   1611.63  19768.59   1611.51  198.855 7.4827  190.718 7.8014  8.137299       10.80983  
1 1 1 4   27  16 o 221.368 4.8188  26580.21   1155.39  28113.84   2000.50  25812.60   1415.30  227.333 8.1247  218.053 5.9926  9.279129       10.09562  
1 1 1 4   27  17 o 257.898 4.7180  36080.97   1317.87  38117.25   2630.79  35398.80   1522.70  264.447 9.1850  255.370 5.5052  9.077225       10.70846  
1 1 1 4   27  18 o 218.520 5.1064  25917.35   1208.57  28107.74   1929.61  24503.43   1550.32  227.223 7.8406  212.300 6.7422  14.92329       10.34080  
1 1 1 4   27  19 o 278.937 5.7557  42271.09   1738.91  44254.80   3012.92  41280.26   2129.36  284.551 9.7759  275.412 7.1383  9.139191       12.10472  
1 1 1 4   27  20 o 108.662 3.5175  6403.40    413.984  6275.98    717.768  6466.91    506.769  107.238 6.2062  109.162 4.2862  -1.924194      7.542428  
1 1 1 4   27  21 o 184.486 4.4964  18484.00   898.457  16621.81   1842.85  19064.65   1029.04  173.752 9.8328  187.288 5.0728  -13.53676      11.06422  
1 1 1 4   27  22 o 144.996 3.8070  11415.67   597.864  11558.68   1035.06  11344.07   732.400  145.521 6.5670  144.442 4.6815  1.078613       8.064864  
1 1 1 4   27  23 o 171.064 3.5612  15899.04   659.830  15862.14   929.027  15936.61   937.308  170.591 5.0281  170.984 5.0612  -0.3927002     7.134261  
1 1 1 4   27  24 o 97.218  2.9858  5134.78    314.395  4949.87    443.909  5320.88    445.337  95.289  4.3011  98.816  4.1609  -3.527542      5.984402  
1 1 1 4   27  25 o 63.457  2.5120  2187.30    172.652  2496.62    309.403  2047.43    208.056  67.477  4.2553  61.263  3.1461  6.213882       5.292026  
1 1 1 4   27  26 o 16.177  2.2445  144.842    38.267   139.327    38.673   402.836    264.532  15.848  2.3218  26.712  8.2832  -10.86364      8.602431  
1 1 1 4   27  27 o 25.604  7.6823  375.972    230.022  649.957    423.334  261.194    273.999  33.254  10.505  23.177  8.4308  10.07661       13.46934  
1 1 1 4   27  28 o 30.354  7.2796  542.615    236.242  892.340    436.890  398.103    280.841  38.102  10.328  26.433  8.5778  11.66899       13.42551  
1 1 1 4   27  29 o 29.954  1.7868  489.384    57.707   534.358    435.815  488.582    58.220   30.349  10.681  29.927  1.8045  0.4220848      10.83219  
1 1 1 4   27  30 o 30.568  1.9262  510.616    63.447   825.170    450.975  504.264    64.084   35.728  10.765  30.372  1.9585  5.356068       10.94180  
1 1 1 4   27  31 o 28.540  8.1572  507.709    264.769  426.987    458.690  548.044    324.240  27.672  10.724  29.405  9.1791  -1.732883      14.11565  
1 1 1 4   27  32 o 38.430  6.3696  899.214    255.844  478.593    485.091  1061.31    301.131  27.322  10.894  41.389  6.9646  -14.06726      12.92965  
1 1 1 4   27  33 o 22.926  10.001  219.473    467.970  0.0000     0.0000   219.473    467.970  ?       ?       22.926  10.001  0.000000       10.00122  
1 1 1 4   27  34 o 22.399  9.7643  258.329    445.315  0.0000     0.0000   258.329    445.315  ?       ?       22.399  9.7643  0.000000       9.764276  
1 1 1 4   27  35 o 13.861  6.8250  -505.2275  362.207  0.0000     0.0000   -505.2275  362.207  ?       ?       13.861  6.8250  0.000000       6.824970  
1 1 1 4   28  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   28  1  o 536.987 12.645  156518.50  7354.63  158797.91  10401.47 154239.41  10400.58 540.279 17.775  532.432 18.035  7.846741       25.32226  
1 1 1 4   28  2  o 717.714 23.778  281220.69  18483.79 281220.69  18483.79 0.0000     0.0000   717.714 23.778  ?       ?       0.000000       23.77769  
1 1 1 4   28  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   28  4  o 255.529 4.7170  35372.18   1305.50  34646.01   1846.24  36098.36   1846.26  252.850 6.7415  258.098 6.6045  -5.248718      9.437513  
1 1 1 4   28  5  f 499.158 8.3140  135073.30  4494.88  140349.30  6357.18  129798.80  6356.25  508.567 11.541  489.039 12.000  19.52859       16.64935  
1 1 1 4   28  6  o 436.943 7.2309  103478.20  3422.07  105716.00  4840.51  101242.20  4838.56  441.467 10.123  432.010 10.341  9.457367       14.47109  
1 1 1 4   28  7  o 417.969 9.9926  94766.70   4523.68  0.0000     0.0000   94766.70   4523.68  ?       ?       417.969 9.9926  0.000000       9.992572  
1 1 1 4   28  8  o 108.031 3.8881  6322.00    454.944  0.0000     0.0000   6322.00    454.944  ?       ?       108.031 3.8881  0.000000       3.888125  
1 1 1 4   28  9  o 372.931 7.3202  75400.37   2956.78  77417.30   5127.07  74395.30   3619.27  377.487 12.540  370.332 9.0232  7.154663       15.44892  
1 1 1 4   28  10 o 681.604 11.268  252379.00  8318.22  245050.30  16638.70 254821.00  9604.62  668.368 22.984  684.552 12.954  -16.18475      26.38351  
1 1 1 4   28  11 o 425.878 7.2001  98373.54   3321.20  99398.23   6643.15  98032.08   3834.84  427.116 14.360  425.028 8.3303  2.087646       16.60141  
1 1 1 4   28  12 o 324.765 5.6470  57184.07   1986.36  56724.16   3971.24  57337.52   2293.94  322.895 11.355  325.139 6.5139  -2.244110      13.09090  
1 1 1 4   28  13 o 301.185 8.7710  49292.11   2861.24  49267.37   5065.06  49303.71   3467.49  299.606 15.663  300.980 10.637  -1.374664      18.93328  
1 1 1 4   28  14 o 178.392 5.0839  17257.76   982.295  16869.47   1387.26  17648.20   1391.10  176.249 7.2671  180.281 7.1242  -4.031845      10.17671  
1 1 1 4   28  15 o 185.945 4.3339  18745.57   872.831  19512.51   1506.29  18357.87   1070.96  189.511 7.3384  183.956 5.3751  5.554733       9.096406  
1 1 1 4   28  16 o 184.807 4.2616  18519.41   853.029  19641.26   1476.86  17957.78   1044.96  190.103 7.1727  181.921 5.3033  8.182358       8.920363  
1 1 1 4   28  17 o 207.021 4.0236  23238.98   902.183  25149.20   1798.44  22596.62   1042.90  214.997 7.7231  204.091 4.7179  10.90605       9.050136  
1 1 1 4   28  18 o 168.447 3.7082  15384.50   676.538  15163.85   1271.31  15471.68   799.081  166.977 7.0295  168.884 4.3685  -1.907806      8.276357  
1 1 1 4   28  19 o 220.139 4.2030  26290.26   1002.13  27775.03   1997.98  25791.17   1158.38  225.723 8.1723  217.971 4.9066  7.752472       9.532117  
1 1 1 4   28  20 o 31.477  5.6495  554.854    185.530  1073.43    368.322  378.538    214.766  43.674  8.0841  26.009  7.3165  17.66501       10.90339  
1 1 1 4   28  21 o 90.778  3.1675  4469.23    311.433  4190.40    600.342  4571.90    364.283  87.479  6.3801  91.793  3.6640  -4.313477      7.357383  
1 1 1 4   28  22 o 99.785  3.2523  5403.13    351.500  5609.76    650.261  5317.83    417.800  101.263 5.9550  98.950  3.8983  2.312935       7.117511  
1 1 1 4   28  23 o 41.231  4.9697  939.841    217.462  977.822    376.885  920.884    266.254  41.333  8.6942  40.566  6.2615  0.7669296      10.71428  
1 1 1 4   28  24 o 113.555 3.4763  7014.56    427.561  7497.33    723.354  6755.32    530.070  116.956 5.7103  111.288 4.3976  5.667191       7.207379  
1 1 1 4   28  25 o 42.281  5.4417  997.562    243.418  1388.94    444.434  829.847    290.936  49.095  8.6752  38.049  7.3254  11.04589       11.35431  
1 1 1 4   28  26 o 74.266  2.4489  2997.75    196.982  2913.75    304.181  3058.42    258.507  72.922  3.8651  74.920  3.1857  -1.997856      5.008721  
1 1 1 4   28  27 o 110.373 3.5507  6659.80    424.467  6546.86    764.658  6710.10    510.313  108.033 6.5660  110.560 4.2615  -2.527069      7.827746  
1 1 1 4   28  28 o 31.944  7.0461  598.617    237.240  162.327    434.482  783.954    283.182  24.413  10.093  36.542  7.4085  -12.12950      12.52029  
1 1 1 4   28  29 o 33.306  6.8498  653.315    238.851  317.224    445.259  789.102    283.017  26.646  10.496  36.466  7.4181  -9.820589      12.85245  
1 1 1 4   28  30 f 90.602  3.5387  4522.94    347.259  4249.47    661.416  4627.00    408.017  85.298  7.2271  91.359  4.1234  -6.061150      8.320691  
1 1 1 4   28  31 o 67.513  4.1379  2552.89    301.124  2599.67    557.943  2533.66    357.691  65.261  8.0651  66.767  4.9821  -1.506340      9.479839  
1 1 1 4   28  32 o 35.328  6.8614  777.978    253.077  580.065    478.823  854.698    298.121  28.736  11.004  36.404  7.7959  -7.668659      13.48529  
1 1 1 4   28  33 o 46.321  9.4901  1519.50    460.116  0.0000     0.0000   1519.50    460.116  ?       ?       46.321  9.4901  0.000000       9.490079  
1 1 1 4   28  34 o 29.522  11.258  767.749    499.897  0.0000     0.0000   767.749    499.897  ?       ?       29.522  11.258  0.000000       11.25771  
1 1 1 4   28  35 o 19.682  9.0711  59.274     448.257  0.0000     0.0000   59.274     448.257  ?       ?       19.682  9.0711  0.000000       9.071057  
1 1 1 4   29  0  o 335.441 6.7179  60974.76   2440.75  64950.39   4226.18  58985.08   2989.76  346.002 11.277  329.864 8.3682  16.13818       14.04279  
1 1 1 4   29  1  o 561.925 13.182  171421.80  8022.66  177665.91  11346.42 165179.20  11345.09 571.412 18.333  550.867 19.015  20.54480       26.41341  
1 1 1 4   29  2  o 136.316 3.1709  10064.59   468.169  10070.73   685.701  10059.23   640.763  136.346 4.6432  136.271 4.3413  0.7525635E-01  6.356641  
1 1 1 4   29  3  o 451.371 8.8386  110458.40  4321.01  112623.50  5291.61  106125.50  7485.71  455.652 10.722  441.898 15.640  13.75385       18.96258  
1 1 1 4   29  4  f 707.984 23.467  273671.41  17995.29 273671.41  17995.29 0.0000     0.0000   707.984 23.467  ?       ?       0.000000       23.46741  
1 1 1 4   29  5  o 634.273 12.060  218357.00  8285.14  212830.80  10146.71 229412.50  14351.65 625.817 14.970  648.776 20.424  -22.95905      25.32228  
1 1 1 4   29  6  o 674.391 12.923  246963.91  9439.55  255046.30  11561.13 230799.91  16349.52 684.919 15.584  650.002 23.223  34.91742       27.96760  
1 1 1 4   29  7  o 508.186 9.7520  140087.80  5367.67  0.0000     0.0000   140087.80  5367.67  ?       ?       508.186 9.7520  0.000000       9.751970  
1 1 1 4   29  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   29  9  o 542.551 9.0264  159692.59  5304.26  162816.00  10613.37 158652.70  6123.89  546.419 17.933  540.619 10.458  5.799500       20.76001  
1 1 1 4   29  10 o 246.853 4.7145  33019.40   1260.50  33873.76   2366.98  32681.20   1489.23  249.850 8.7467  245.557 5.5994  4.293488       10.38549  
1 1 1 4   29  11 o 228.553 4.2200  28304.50   1044.65  28251.17   2093.31  28322.19   1205.48  228.146 8.4713  228.603 4.8686  -0.4577179     9.770725  
1 1 1 4   29  12 o 317.624 7.8563  54762.21   2702.73  55300.57   3821.65  54223.52   3822.82  318.816 11.067  315.681 11.181  3.134949       15.73186  
1 1 1 4   29  13 o 332.546 8.1716  60073.40   2943.27  59190.02   4161.44  60957.61   4163.38  329.567 11.658  334.482 11.492  -4.914246      16.37018  
1 1 1 4   29  14 o 143.620 3.2112  11176.71   499.521  10781.08   987.881  11312.62   578.995  140.935 6.4716  144.478 3.7000  -3.542404      7.454681  
1 1 1 4   29  15 o 240.994 5.7334  31516.71   1496.55  33446.69   3310.04  31020.82   1677.82  247.346 12.355  239.023 6.4809  8.322617       13.95204  
1 1 1 4   29  16 o 197.134 4.4372  21074.97   947.424  21625.44   1640.33  20799.41   1160.59  199.424 7.5942  195.770 5.4735  3.654602       9.361119  
1 1 1 4   29  17 o 61.634  3.2349  2064.62    215.194  1904.08    409.772  2125.75    252.870  58.837  6.5409  62.505  3.7526  -3.668285      7.540871  
1 1 1 4   29  18 o 19.397  6.4812  192.226    159.920  -158.7199  297.156  335.309    189.740  16.934  7.6405  24.499  6.8719  -7.565218      10.27616  
1 1 1 4   29  19 o 79.616  3.0559  3436.03    263.523  3614.50    515.103  3372.76    306.698  81.343  5.8864  78.866  3.5905  2.477409       6.894981  
1 1 1 4   29  20 o 145.484 3.3511  11477.48   528.046  10628.36   1021.05  11787.50   616.956  139.716 6.7473  147.403 3.8644  -7.687622      7.775573  
1 1 1 4   29  21 o 169.237 3.7331  15542.92   684.282  15966.31   1299.54  15380.49   804.905  171.079 7.0133  168.281 4.4161  2.797897       8.287856  
1 1 1 4   29  22 o 139.691 3.1833  10588.99   481.638  10191.88   964.633  10720.86   555.888  136.608 6.5195  140.514 3.6526  -3.905319      7.472962  
1 1 1 4   29  23 o 198.243 4.0853  21381.94   877.177  22294.43   1649.93  21022.41   1035.67  201.302 7.5674  196.379 4.8692  4.923157       8.998594  
1 1 1 4   29  24 o 56.787  2.2926  1749.89    141.008  1845.34    169.267  1533.43    254.899  58.293  2.6809  52.819  4.4984  5.473671       5.236731  
1 1 1 4   29  25 o 59.880  3.8328  1963.96    247.276  1896.27    494.017  1986.59    285.633  57.717  8.1277  60.115  4.4178  -2.398457      9.250730  
1 1 1 4   29  26 o 66.285  2.0142  2385.42    144.606  2147.06    223.978  2555.80    189.360  62.667  3.3116  68.560  2.5500  -5.892887      4.179662  
1 1 1 4   29  27 o 65.349  3.6726  2343.66    258.893  2558.41    529.579  2276.22    296.773  66.980  7.4248  64.244  4.2897  2.735382       8.574922  
1 1 1 4   29  28 o 13.182  4.5531  87.342     79.014   448.215    444.832  75.585     80.291   29.154  10.721  12.706  4.5723  16.44795       11.65544  
1 1 1 4   29  29 o 29.977  7.5763  538.352    246.107  154.391    441.667  711.256    296.384  24.142  10.095  34.322  8.1028  -10.17998      12.94438  
1 1 1 4   29  30 o 33.966  7.3528  693.700    262.656  -201.6519  461.036  1123.95    319.592  20.238  9.2799  43.652  6.9959  -23.41400      11.62143  
1 1 1 4   29  31 o 28.251  2.4115  439.974    73.083   788.748    471.612  431.392    73.977   33.969  11.120  27.961  2.4681  6.008205       11.39082  
1 1 1 4   29  32 o 33.583  7.3309  720.250    259.171  95.266     474.025  986.737    309.532  22.092  9.8328  39.300  7.5462  -17.20734      12.39472  
1 1 1 4   29  33 o 21.809  9.4033  197.234    403.929  0.0000     0.0000   197.234    403.929  ?       ?       21.809  9.4033  0.000000       9.403340  
1 1 1 4   29  34 o 25.260  10.350  478.247    451.597  0.0000     0.0000   478.247    451.597  ?       ?       25.260  10.350  0.000000       10.34984  
1 1 1 4   29  35 o 25.832  10.790  584.775    503.853  0.0000     0.0000   584.775    503.853  ?       ?       25.832  10.790  0.000000       10.78988  
1 1 1 4   30  0  o 520.568 9.7521  146954.09  5498.52  154594.50  9526.61  143137.30  6733.27  533.259 16.494  513.575 12.105  19.68359       20.45921  
1 1 1 4   30  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   30  2  o 443.649 8.6233  106705.20  4143.65  104081.30  5074.22  111957.30  7178.97  438.034 10.695  453.982 14.600  -15.94827      18.09831  
1 1 1 4   30  3  o 404.762 6.9318  88786.59   3038.88  88507.25   4297.68  89065.92   4297.57  403.981 9.8221  405.256 9.7909  -1.274780      13.86850  
1 1 1 4   30  4  o 573.485 11.285  178452.70  7009.47  178735.80  8584.26  177886.09  12142.33 573.664 13.816  571.460 19.618  2.203674       23.99430  
1 1 1 4   30  5  o 381.803 6.5331  78997.17   2701.65  79919.61   3821.52  78075.52   3819.89  383.899 9.1907  379.439 9.2948  4.460663       13.07142  
1 1 1 4   30  6  f 36.088  3.2260  711.055    124.766  757.179    215.533  687.810    153.008  36.973  5.5539  35.401  4.0642  1.571735       6.882134  
1 1 1 4   30  7  o 858.961 28.508  405367.59  26522.48 0.0000     0.0000   405367.59  26522.48 ?       ?       858.961 28.508  0.000000       28.50825  
1 1 1 4   30  8  o 318.926 6.4543  55128.63   2229.52  53678.75   3868.48  55849.73   2728.19  314.434 11.359  320.942 7.8483  -6.508301      13.80663  
1 1 1 4   30  9  o 255.303 4.6458  35315.71   1284.66  33605.87   2573.52  35883.19   1482.59  248.848 9.5482  257.326 5.3194  -8.478851      10.93002  
1 1 1 4   30  10 o 259.358 4.6935  36450.41   1318.46  36688.64   2642.98  36371.48   1521.28  259.967 9.3865  259.051 5.4219  0.9168701      10.83991  
1 1 1 4   30  11 o 512.902 12.135  143154.59  6741.17  146286.80  9534.29  140023.50  9532.61  517.280 17.017  505.978 17.394  11.30179       24.33428  
1 1 1 4   30  12 o 102.592 3.7413  5703.11    415.721  5870.52    587.895  5535.68    587.942  103.927 5.2396  100.901 5.3994  3.026703       7.523787  
1 1 1 4   30  13 o 249.199 6.4024  33696.96   1728.06  31535.01   2441.95  35865.63   2445.73  240.802 9.3628  256.868 8.7908  -16.06673      12.84291  
1 1 1 4   30  14 o 263.116 4.7648  37538.80   1357.87  39770.77   2712.72  36792.60   1568.52  270.352 9.2641  260.428 5.5607  9.923950       10.80491  
1 1 1 4   30  15 o 318.582 6.4839  55112.95   2237.33  58609.05   3872.65  53361.47   2741.06  327.725 10.910  313.246 8.0791  14.47870       13.57578  
1 1 1 4   30  16 o 164.080 3.9745  14596.45   706.338  15385.10   1222.99  14201.71   865.233  168.276 6.7101  161.796 4.9374  6.480255       8.330880  
1 1 1 4   30  17 o 227.465 4.2656  28060.97   1050.92  29048.52   2100.22  27731.12   1213.80  230.949 8.3961  226.066 4.9573  4.882813       9.750364  
1 1 1 4   30  18 o 203.988 3.9340  22565.65   869.176  22113.44   1730.32  22718.26   1005.20  201.510 7.9279  204.630 4.5353  -3.120468      9.133551  
1 1 1 4   30  19 o 144.654 3.3589  11345.06   526.258  10399.27   1140.16  11601.11   593.230  137.945 7.6614  146.256 3.7449  -8.311432      8.527643  
1 1 1 4   30  20 o 150.115 3.4353  12221.14   558.547  11542.87   1066.56  12477.45   655.642  145.590 6.7637  151.643 3.9919  -6.053223      7.853806  
1 1 1 4   30  21 o 200.260 3.9353  21770.42   853.580  20968.88   1697.39  22041.74   987.531  195.805 8.0036  201.426 4.5265  -5.620636      9.194976  
1 1 1 4   30  22 o 37.201  4.8251  765.537    189.838  1055.18    373.862  664.912    220.360  43.130  8.3045  34.399  6.1398  8.731586       10.32767  
1 1 1 4   30  23 o 106.459 3.1102  6154.90    358.623  6091.59    701.345  6177.31    417.304  105.302 6.1763  106.600 3.6143  -1.298073      7.156103  
1 1 1 4   30  24 o 148.139 3.5769  11945.84   573.921  12463.61   1218.47  11798.21   650.613  150.014 7.4991  147.107 4.0834  2.907425       8.538808  
1 1 1 4   30  25 o 24.259  7.1706  332.678    201.530  -51.8820   411.266  454.200    231.189  21.458  9.3679  28.065  7.4726  -6.607788      11.98319  
1 1 1 4   30  26 o 62.779  2.6466  2143.91    179.960  2033.49    226.522  2332.85    296.314  60.953  3.4453  65.133  4.2231  -4.179935      5.450211  
1 1 1 4   30  27 o 104.768 3.2730  5993.96    371.408  5978.20    734.417  5999.37    430.519  103.134 6.6094  104.665 3.7977  -1.531525      7.622777  
1 1 1 4   30  28 o 20.493  7.3644  209.271    208.228  809.552    421.972  16.046     239.407  36.261  10.275  17.118  7.3069  19.14296       12.60821  
1 1 1 4   30  29 o 67.215  3.9325  2499.97    285.042  2390.46    544.786  2541.25    334.478  63.605  8.0911  67.506  4.6020  -3.901085      9.308299  
1 1 1 4   30  30 o 85.066  3.0614  3971.05    282.065  3411.06    632.496  4110.06    315.136  75.846  7.8111  86.424  3.3666  -10.57753      8.505725  
1 1 1 4   30  31 o 57.719  4.5842  1887.47    284.225  1870.98    531.161  1894.08    336.446  53.902  9.4421  57.282  5.4901  -3.379524      10.92222  
1 1 1 4   30  32 o 26.324  7.9397  455.766    245.225  581.638    463.350  406.792    289.019  28.497  10.845  24.943  8.7027  3.554197       13.90514  
1 1 1 4   30  33 o 20.309  9.1719  42.480     429.344  0.0000     0.0000   42.480     429.344  ?       ?       20.309  9.1719  0.000000       9.171867  
1 1 1 4   30  34 o 16.915  8.0830  -259.2527  416.616  0.0000     0.0000   -259.2527  416.616  ?       ?       16.915  8.0830  0.000000       8.083045  
1 1 1 4   30  35 o 29.632  11.361  852.620    510.783  0.0000     0.0000   852.620    510.783  ?       ?       29.632  11.361  0.000000       11.36056  
1 1 1 4   31  0  o 299.529 6.0343  48612.38   1957.64  49892.78   2398.85  46059.49   3387.24  303.411 7.2997  291.393 10.732  12.01859       12.97957  
1 1 1 4   31  1  o 399.564 6.7105  86516.28   2904.09  86929.29   4107.33  86103.41   4106.68  400.387 9.4713  398.478 9.5152  1.908936       13.42547  
1 1 1 4   31  2  o 431.017 7.2156  100684.10  3368.50  103724.30  4764.17  97644.98   4763.39  437.317 10.058  424.289 10.365  13.02869       14.44328  
1 1 1 4   31  3  o 371.174 6.3703  74655.30   2560.98  75092.42   3621.95  74218.26   3621.59  372.147 8.9858  369.971 9.0378  2.175049       12.74465  
1 1 1 4   31  4  o 482.370 8.1504  126138.70  4258.21  122651.40  6021.94  129626.20  6022.10  475.396 11.695  488.754 11.376  -13.35815      16.31538  
1 1 1 4   31  5  o 151.698 3.1330  12464.32   514.768  13020.68   731.779  11919.33   724.263  155.035 4.3579  148.332 4.5081  6.703186       6.270110  
1 1 1 4   31  6  o 309.814 6.2514  52015.51   2097.71  53432.11   3632.05  51306.45   2569.62  313.802 10.686  307.641 7.7118  6.160980       13.17830  
1 1 1 4   31  7  o 301.265 7.3759  49201.02   2406.77  50846.42   3410.23  47568.17   3397.20  306.115 10.286  296.065 10.594  10.05020       14.76576  
1 1 1 4   31  8  o 123.787 2.9617  8299.86    397.095  8691.81    795.768  8169.90    458.223  126.644 5.8014  122.810 3.4449  3.833305       6.747102  
1 1 1 4   31  9  o 564.875 9.4378  173178.09  5774.23  167893.09  11551.21 174938.59  6666.97  554.283 19.241  567.540 10.846  -13.25677      22.08719  
1 1 1 4   31  10 o 207.391 5.5781  23313.73   1252.97  24791.42   1775.20  21846.75   1768.76  213.776 7.6669  200.657 8.1385  13.11887       11.18106  
1 1 1 4   31  11 o 318.118 9.3216  54969.83   3211.82  54346.21   3882.87  56321.07   5715.56  316.080 11.342  320.561 16.518  -4.480865      20.03702  
1 1 1 4   31  12 o 237.939 6.2064  30709.63   1599.46  29979.45   2261.68  31440.21   2262.28  234.893 8.8898  240.566 8.6824  -5.672928      12.42629  
1 1 1 4   31  13 o 42.678  1.8933  986.576    87.518   1078.62    296.555  977.795    91.598   44.129  6.3906  42.487  1.9905  1.641155       6.693437  
1 1 1 4   31  14 o 130.953 3.0683  9291.84    435.191  8942.93    862.740  9410.92    504.013  128.364 6.2053  131.778 3.5313  -3.413605      7.139759  
1 1 1 4   31  15 o 375.536 8.2945  76719.80   3373.76  75743.38   5267.35  77399.02   4393.19  371.895 13.077  376.613 10.770  -4.717804      16.94092  
1 1 1 4   31  16 o 145.529 3.9241  11482.40   618.531  12033.24   1025.04  11166.98   775.661  148.842 6.3584  143.466 4.9917  5.375717       8.083722  
1 1 1 4   31  17 o 62.935  3.2984  2152.75    224.049  2082.30    418.092  2181.12    265.369  61.582  6.3599  63.305  3.8891  -1.722862      7.454755  
1 1 1 4   31  18 o 277.636 4.9834  41838.32   1498.55  41557.08   2991.57  41932.52   1731.44  275.756 10.016  277.844 5.7536  -2.087830      11.55112  
1 1 1 4   31  19 o 285.526 5.4491  44290.41   1685.15  42208.43   3137.09  45134.82   1997.87  277.563 10.435  288.061 6.4034  -10.49789      12.24315  
1 1 1 4   31  20 o 258.193 4.6804  36201.95   1308.88  32472.40   2609.64  37455.50   1512.94  243.365 9.9004  262.519 5.3210  -19.15401      11.23967  
1 1 1 4   31  21 o 167.126 3.5235  15156.56   637.800  13898.67   1260.74  15589.22   739.397  159.517 7.2970  169.443 4.0289  -9.925842      8.335379  
1 1 1 4   31  22 f 65.835  3.2842  2352.79    234.187  2186.77    455.856  2412.31    272.960  62.869  6.8030  66.528  3.8039  -3.658699      7.794281  
1 1 1 4   31  23 f 130.552 3.2023  9258.96    452.805  9426.12    893.332  9201.16    525.282  131.142 6.2893  130.072 3.7286  1.070465       7.311444  
1 1 1 4   31  24 o 152.471 3.4096  12650.94   563.066  13335.12   1131.27  12425.64   649.192  155.459 6.7186  150.977 3.9700  4.481537       7.803906  
1 1 1 4   31  25 o 68.962  2.4553  2583.67    183.396  2087.53    516.648  2655.20    196.171  60.579  8.0752  69.898  2.5912  -9.318584      8.480774  
1 1 1 4   31  26 o 29.144  1.4398  460.619    45.450   467.162    46.412   307.578    224.462  29.350  1.4600  23.651  7.6680  5.698839       7.805768  
1 1 1 4   31  27 o 28.474  6.7710  472.426    205.766  968.603    433.632  328.236    233.760  39.976  10.031  24.239  7.8218  15.73657       12.72035  
1 1 1 4   31  28 o 25.936  7.1057  395.037    205.510  603.399    431.201  333.799    233.767  31.904  10.642  24.256  7.8213  7.647646       13.20726  
1 1 1 4   31  29 o 7.0016  2.8128  12.472     32.603   -328.1467  418.870  14.548     32.702   18.184  8.5109  7.1278  2.8327  11.05598       8.969916  
1 1 1 4   31  30 f 55.661  4.8205  1746.08    287.744  1344.32    513.741  1929.73    347.337  45.509  10.617  58.158  5.5826  -12.64951      11.99527  
1 1 1 4   31  31 o 50.653  5.0131  1471.89    271.417  1557.76    507.987  1437.58    321.091  48.417  10.017  49.388  6.1348  -0.9705963     11.74651  
1 1 1 4   31  32 o 17.514  7.7312  16.212     287.200  0.0000     0.0000   16.212     287.200  ?       ?       17.514  7.7312  0.000000       7.731171  
1 1 1 4   31  33 o 16.741  7.9541  -259.9002  391.706  0.0000     0.0000   -259.9002  391.706  ?       ?       16.741  7.9541  0.000000       7.954109  
1 1 1 4   31  34 o 27.103  10.656  609.716    458.124  0.0000     0.0000   609.716    458.124  ?       ?       27.103  10.656  0.000000       10.65559  
1 1 1 4   31  35 o 15.727  7.6896  -450.1058  435.289  0.0000     0.0000   -450.1058  435.289  ?       ?       15.727  7.6896  0.000000       7.689619  
1 1 1 4   32  0  o 355.268 6.0042  68388.70   2310.37  71031.13   3267.90  65748.05   3266.80  361.978 8.3352  348.242 8.6611  13.73569       12.02040  
1 1 1 4   32  1  o 373.063 7.3841  75432.22   2983.66  74043.80   5166.17  76127.09   3654.81  369.306 12.916  374.704 9.0055  -5.397369      15.74514  
1 1 1 4   32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   32  3  o 610.880 11.791  202526.09  7801.60  206610.30  9554.55  194355.70  13513.96 616.697 14.304  597.065 20.897  19.63232       25.32415  
1 1 1 4   32  4  o 654.016 15.272  232499.91  10817.91 236345.59  15300.23 228655.70  15297.44 658.219 21.461  647.343 21.818  10.87549       30.60415  
1 1 1 4   32  5  o 169.662 3.9102  15592.62   718.549  14972.71   1239.09  15906.71   881.993  166.210 6.8829  171.352 4.7523  -5.141159      8.364184  
1 1 1 4   32  6  f 526.793 10.121  150560.50  5775.02  151110.41  10001.39 150285.41  7073.37  526.797 17.529  526.070 12.414  0.7269897      21.47926  
1 1 1 4   32  7  o 530.600 10.121  152769.30  5816.29  152181.80  7124.42  153943.50  10071.44 529.312 12.427  531.588 17.492  -2.276367      21.45717  
1 1 1 4   32  8  o 203.157 3.8927  22358.81   856.543  21344.73   1720.76  22692.84   987.587  198.389 8.0082  204.658 4.4553  -6.269394      9.164089  
1 1 1 4   32  9  o 482.658 11.520  126599.40  6022.11  119426.40  8517.80  133768.00  8515.29  467.869 16.809  495.363 15.871  -27.49432      23.11756  
1 1 1 4   32  10 o 81.423  3.9857  3592.06    351.495  3593.79    506.510  3590.46    488.175  81.214  5.7962  81.194  5.5851  0.2058411E-01  8.049232  
1 1 1 4   32  11 o 302.514 7.5334  49663.57   2468.34  49949.27   3492.08  49378.31   3489.44  303.069 10.638  301.325 10.692  1.743408       15.08270  
1 1 1 4   32  12 o 185.103 3.6821  18566.32   738.209  18980.71   1481.96  18429.56   851.352  186.992 7.3172  184.401 4.2626  2.590714       8.468255  
1 1 1 4   32  13 o 129.233 3.0275  9048.80    423.761  9797.28    843.707  8796.28    490.058  134.386 5.7965  127.405 3.5513  6.981056       6.797891  
1 1 1 4   32  14 o 124.880 3.0251  8450.08    409.167  9103.28    812.774  8228.34    473.550  129.525 5.7936  123.218 3.5483  6.306099       6.793828  
1 1 1 4   32  15 o 386.035 8.4354  81089.77   3526.96  80081.05   5503.39  81792.83   4594.50  382.279 13.292  387.071 10.959  -4.792267      17.22706  
1 1 1 4   32  16 o 109.158 3.4416  6458.60    406.903  6501.07    691.388  6436.10    503.297  109.268 5.8634  108.942 4.2654  0.3262024      7.250696  
1 1 1 4   32  17 o 93.033  2.7759  4690.25    279.716  4831.83    580.615  4647.45    319.199  94.157  5.7204  92.599  3.1826  1.558678       6.546151  
1 1 1 4   32  18 o 151.115 3.3867  12380.00   554.305  12242.19   1088.51  12428.25   644.070  150.038 6.6982  151.381 3.9282  -1.342926      7.765102  
1 1 1 4   32  19 o 94.256  3.1170  4816.42    318.210  4329.94    603.590  5003.67    374.478  89.003  6.3021  96.054  3.5995  -7.051033      7.257593  
1 1 1 4   32  20 o 234.937 4.6539  29976.60   1184.24  28921.40   3053.28  30163.44   1284.82  228.478 12.384  235.611 5.0347  -7.132950      13.36877  
1 1 1 4   32  21 o 157.531 3.4422  13466.05   587.313  12137.43   1159.72  13924.34   681.114  149.059 7.1833  160.141 3.9269  -11.08200      8.186584  
1 1 1 4   32  22 o 182.919 3.7085  18177.95   734.735  16796.16   1462.01  18644.85   849.849  174.903 7.7176  185.163 4.2376  -10.26001      8.804463  
1 1 1 4   32  23 o 25.714  6.3542  376.921    175.946  481.009    325.709  334.031    209.076  29.466  9.2001  24.479  7.3195  4.986525       11.75659  
1 1 1 4   32  24 f 94.320  3.1623  4838.59    323.054  4764.25    654.027  4862.58    371.543  92.718  6.5550  94.488  3.6305  -1.770638      7.493178  
1 1 1 4   32  25 o 44.319  4.5515  1086.42    215.382  1402.79    457.139  996.150    244.182  49.190  8.9083  42.217  5.4687  6.972301       10.45298  
1 1 1 4   32  26 f 50.455  2.4976  1384.46    136.492  1316.45    157.452  1590.10    273.793  49.068  2.9767  53.574  4.7683  -4.505543      5.621147  
1 1 1 4   32  27 o 30.999  6.6167  557.807    215.393  835.315    438.875  469.754    247.214  37.064  10.471  28.301  7.8099  8.763069       13.06236  
1 1 1 4   32  28 o 58.305  2.6014  1853.72    164.277  1830.61    514.407  1856.34    173.355  55.433  8.8666  58.324  2.7442  -2.890785      9.281572  
1 1 1 4   32  29 o 51.728  4.6737  1499.74    259.024  1248.12    496.388  1593.89    303.642  44.298  10.505  53.067  5.3562  -8.768303      11.79174  
1 1 1 4   32  30 o 38.506  2.7701  816.237    114.759  701.948    123.095  1575.34    317.242  35.586  3.2288  52.422  5.6782  -16.83546      6.531985  
1 1 1 4   32  31 o 32.762  1.5130  584.089    53.688   702.936    76.467   468.544    75.398   35.827  1.9783  29.140  2.4106  6.686979       3.118405  
1 1 1 4   32  32 o 21.121  8.3295  237.444    280.753  0.0000     0.0000   237.444    280.753  ?       ?       21.121  8.3295  0.000000       8.329510  
1 1 1 4   32  33 o 26.054  10.081  486.884    404.883  0.0000     0.0000   486.884    404.883  ?       ?       26.054  10.081  0.000000       10.08108  
1 1 1 4   32  34 f 34.065  11.110  1017.53    470.895  0.0000     0.0000   1017.53    470.895  ?       ?       34.065  11.110  0.000000       11.10986  
1 1 1 4   32  35 o 32.101  10.925  938.706    454.441  0.0000     0.0000   938.706    454.441  ?       ?       32.101  10.925  0.000000       10.92452  
1 1 1 4   33  0  o 526.018 10.185  150079.50  5802.81  150958.30  7106.46  148321.09  10052.15 527.353 12.442  522.092 17.776  5.260437       21.69779  
1 1 1 4   33  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   33  2  o 592.988 11.572  190821.91  7432.34  199888.50  9102.47  172685.70  12873.89 606.641 13.853  562.753 21.121  43.88757       25.25924  
1 1 1 4   33  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   33  4  o 798.966 18.107  347560.31  15669.05 392113.50  22161.80 303026.41  22156.97 846.862 24.161  743.422 27.517  103.4408       36.61928  
1 1 1 4   33  5  o 460.648 8.7839  115068.90  4382.56  113744.50  7588.27  115731.80  5368.41  457.367 15.318  461.821 10.733  -4.453857      18.70385  
1 1 1 4   33  6  o 515.005 12.148  144028.41  6776.47  147470.00  9583.71  140587.30  9583.03  520.443 17.002  508.086 17.414  12.35654       24.33717  
1 1 1 4   33  7  o 963.101 32.102  512955.69  33486.85 512955.69  33486.85 0.0000     0.0000   963.101 32.102  ?       ?       0.000000       32.10202  
1 1 1 4   33  8  o 366.921 8.9288  73047.95   3548.42  70567.16   5019.44  75526.34   5017.01  360.269 12.863  372.763 12.426  -12.49307      17.88525  
1 1 1 4   33  9  o 283.333 7.1193  43535.94   2184.77  44604.79   3090.89  42468.69   3088.58  286.597 9.9573  279.632 10.198  6.965546       14.25274  
1 1 1 4   33  10 o 302.267 8.6940  49601.06   2846.29  50246.52   3450.07  48225.55   5036.42  304.058 10.476  296.812 15.722  7.245636       18.89299  
1 1 1 4   33  11 o 217.562 4.0751  25650.05   960.268  24408.55   1927.06  26060.16   1107.57  212.009 8.3921  219.272 4.6636  -7.263550      9.600846  
1 1 1 4   33  12 o 629.539 10.395  215706.91  7088.12  210663.50  14178.18 217387.41  8184.28  617.273 21.207  631.473 11.966  -14.20062      24.34982  
1 1 1 4   33  13 o 282.267 4.9746  43204.80   1520.86  42208.39   3041.32  43537.05   1756.22  278.423 10.085  283.290 5.7237  -4.866394      11.59626  
1 1 1 4   33  14 o 137.802 3.1549  10289.97   470.875  10304.36   914.818  10284.78   549.216  137.783 6.1301  137.752 3.6811  0.3045654E-01  7.150442  
1 1 1 4   33  15 o 275.969 5.6858  41335.34   1699.50  40767.22   2938.94  41620.76   2083.12  273.448 9.9230  276.769 6.9491  -3.320679      12.11430  
1 1 1 4   33  16 o 256.488 5.3743  35705.14   1492.99  34219.11   2583.47  36450.29   1829.41  250.505 9.5217  259.016 6.5210  -8.510712      11.54065  
1 1 1 4   33  17 o 111.748 3.0646  6768.04    370.923  7298.21    722.122  6578.02    432.313  115.927 5.7512  110.151 3.6236  5.775940       6.797546  
1 1 1 4   33  18 o 130.431 3.2409  9222.33    457.841  8787.12    871.266  9388.36    538.131  127.137 6.3271  131.577 3.7761  -4.439285      7.368261  
1 1 1 4   33  19 o 211.543 4.0804  24279.84   934.917  24357.15   1861.64  24253.77   1081.14  211.297 8.1345  211.363 4.7226  -0.6620789E-01 9.406044  
1 1 1 4   33  20 o 242.610 4.4836  31963.25   1178.15  30974.36   2347.53  32296.18   1362.12  237.808 9.1141  243.762 5.1592  -5.954117      10.47301  
1 1 1 4   33  21 o 187.239 3.9709  19039.10   805.306  19012.91   1518.27  19049.36   949.943  186.439 7.5187  187.187 4.6854  -0.7478180     8.859128  
1 1 1 4   33  22 o 138.482 3.3384  10413.83   500.732  9362.08    964.414  10801.99   585.893  130.562 6.8437  140.978 3.8371  -10.41562      7.845972  
1 1 1 4   33  23 o 71.039  2.4741  2738.62    190.363  2207.05    403.818  2890.50    215.852  63.189  5.9711  72.966  2.7313  -9.777180      6.566094  
1 1 1 4   33  24 o 46.801  4.2789  1205.58    214.497  1023.32    438.903  1262.77    245.857  41.781  9.8581  47.808  4.8135  -6.026993      10.97049  
1 1 1 4   33  25 o 51.256  4.2021  1445.86    231.229  1280.64    465.241  1500.06    266.471  46.728  9.5157  52.095  4.7758  -5.366558      10.64696  
1 1 1 4   33  26 o 76.975  2.7606  3225.72    230.155  3528.82    323.451  2914.85    327.566  80.339  3.7172  72.812  4.1710  7.526604       5.586973  
1 1 1 4   33  27 o 105.439 3.2846  6074.80    375.104  5966.84    750.315  6110.77    433.112  102.819 6.7755  105.596 3.7869  -2.776581      7.761941  
1 1 1 4   33  28 o 106.383 3.2717  6197.53    376.975  7072.80    753.581  5905.39    435.364  111.870 6.2443  103.613 3.8794  8.257095       7.351285  
1 1 1 4   33  29 f 43.446  2.6674  1035.24    124.912  927.381    136.137  1609.63    314.150  41.021  3.0867  53.237  5.5288  -12.21593      6.332124  
1 1 1 4   33  30 o 41.934  1.4585  955.409    66.244   756.192    94.432   1148.43    92.952   37.135  2.3601  45.926  1.8686  -8.791447      3.010288  
1 1 1 4   33  31 o 15.125  6.8508  -82.7950   241.604  -256.6909  439.446  -7.4594    289.242  18.585  8.7045  17.591  7.7620  0.9937782      11.66266  
1 1 1 4   33  32 o 34.776  2.1115  665.744    79.155   0.0000     0.0000   665.744    79.155   ?       ?       34.776  2.1115  0.000000       2.111509  
1 1 1 4   33  33 o 25.613  10.355  458.686    444.836  0.0000     0.0000   458.686    444.836  ?       ?       25.613  10.355  0.000000       10.35466  
1 1 1 4   33  34 o 32.726  10.691  914.024    435.961  0.0000     0.0000   914.024    435.961  ?       ?       32.726  10.691  0.000000       10.69063  
1 1 1 4   33  35 o 26.944  10.848  657.566    486.026  0.0000     0.0000   657.566    486.026  ?       ?       26.944  10.848  0.000000       10.84781  
1 1 1 4   34  0  o 387.272 6.4448  81274.05   2703.31  84184.93   3823.65  78364.99   3822.46  394.028 8.9594  380.147 9.2837  13.88141       12.90188  
1 1 1 4   34  1  o 625.482 10.374  212225.30  7028.03  210805.20  9939.42  213645.30  9938.86  622.855 14.733  627.051 14.634  -4.195923      20.76602  
1 1 1 4   34  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   34  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   34  4  o 405.706 7.7786  89229.77   3418.08  86978.41   5916.84  90357.42   4187.49  400.126 13.653  408.160 9.4723  -8.033447      16.61696  
1 1 1 4   34  5  o 317.837 6.3860  54748.00   2198.39  55402.27   3804.64  54420.06   2693.57  319.501 10.994  316.824 7.8494  2.676178       13.50890  
1 1 1 4   34  6  o 237.335 5.0534  30519.66   1299.01  31161.49   1593.03  29245.96   2244.12  239.789 6.1337  232.208 8.9228  7.581818       10.82764  
1 1 1 4   34  7  o 514.081 8.5258  143349.80  4747.20  143517.00  6714.33  143182.70  6712.77  513.970 12.061  513.370 12.073  0.6003418      17.06527  
1 1 1 4   34  8  o 125.432 4.2235  8524.17    573.792  9047.27    817.184  8015.46    805.864  129.196 5.8398  121.445 6.1465  7.751144       8.478394  
1 1 1 4   34  9  o 309.963 7.7012  52121.93   2585.45  50614.91   3657.56  53627.01   3655.21  305.164 11.066  314.146 10.743  -8.981628      15.42265  
1 1 1 4   34  10 o 289.804 5.1335  45524.54   1611.34  45033.62   3226.60  45687.65   1859.86  287.834 10.350  290.279 5.9155  -2.444885      11.92108  
1 1 1 4   34  11 o 136.292 3.0786  10063.52   454.455  10346.93   922.073  9972.59    522.297  138.116 6.1638  135.666 3.5545  2.450424       7.115272  
1 1 1 4   34  12 o 63.095  2.2991  2156.47    157.114  1704.82    410.482  2233.99    170.064  55.610  6.9681  64.218  2.4450  -8.608456      7.384636  
1 1 1 4   34  13 o 285.172 5.0276  44101.93   1552.87  45399.07   3105.00  43669.27   1793.24  288.755 9.9280  283.701 5.8359  5.053345       11.51622  
1 1 1 4   34  14 o 401.528 6.8279  87568.03   2969.45  90915.17   5939.01  86452.38   3428.80  407.412 13.459  398.756 7.9390  8.655243       15.62594  
1 1 1 4   34  15 o 342.558 6.8760  63760.95   2551.18  64252.57   4416.25  63514.72   3125.43  342.742 11.896  341.607 8.4472  1.135468       14.59039  
1 1 1 4   34  16 o 250.846 5.2986  34150.63   1439.58  35154.11   2491.76  33647.87   1763.72  253.975 9.0582  248.851 6.5436  5.124405       11.17457  
1 1 1 4   34  17 o 101.843 3.0002  5621.35    330.938  5498.94    632.099  5667.58    388.428  100.453 5.8348  102.247 3.5074  -1.794067      6.807889  
1 1 1 4   34  18 o 101.419 2.9093  5574.89    319.576  5755.77    649.658  5517.15    367.058  102.754 5.8616  100.878 3.3595  1.876259       6.756086  
1 1 1 4   34  19 o 111.480 3.1591  6737.98    381.443  6683.01    733.238  6758.38    446.637  110.682 6.1405  111.626 3.6942  -0.9439468     7.166128  
1 1 1 4   34  20 o 213.249 4.1692  24687.80   962.958  23099.20   1806.69  25318.17   1138.09  205.571 8.1143  215.858 4.8679  -10.28697      9.462470  
1 1 1 4   34  21 o 59.388  2.4415  1912.13    157.045  1941.62    194.840  1857.43    265.329  59.750  3.0205  58.316  4.2295  1.434578       5.197327  
1 1 1 4   34  22 o 25.209  5.8439  360.959    156.451  219.730    237.238  469.649    208.121  21.791  7.8574  28.711  6.7978  -6.919994      10.38979  
1 1 1 4   34  23 o 72.780  2.6550  2875.71    209.286  2975.45    291.641  2769.82    300.510  73.951  3.6411  71.219  3.9108  2.732086       5.343387  
1 1 1 4   34  24 o 112.870 3.1448  6930.71    384.453  6935.02    777.650  6929.31    442.282  111.922 6.4422  112.776 3.6209  -0.8542252     7.390082  
1 1 1 4   34  25 o 127.219 3.2844  8818.33    452.566  8958.50    888.690  8769.25    525.862  126.962 6.4842  126.726 3.8312  0.2358398      7.531476  
1 1 1 4   34  26 o 95.076  2.9411  4925.17    302.869  5068.62    499.278  4841.65    380.969  95.845  4.8250  94.091  3.7383  1.754463       6.103675  
1 1 1 4   34  27 o 54.905  2.3898  1640.58    142.117  1193.03    484.017  1682.81    148.670  44.185  10.303  55.598  2.4688  -11.41365      10.59505  
1 1 1 4   34  28 o 14.845  6.5040  -31.4332   199.808  380.044    410.775  -158.9630  228.685  27.349  10.255  14.036  6.4725  13.31332       12.12705  
1 1 1 4   34  29 o 22.341  0.9123  270.582    22.075   162.103    29.669   405.102    33.039   17.198  1.6116  27.328  1.1162  -10.13070      1.960401  
1 1 1 4   34  30 o 56.858  4.6107  1820.85    281.495  1113.56    525.448  2105.56    333.370  40.476  11.465  60.912  5.1000  -20.43574      12.54778  
1 1 1 4   34  31 o 18.088  7.6208  83.402     254.745  -106.7282  448.151  174.162    309.634  20.042  9.1750  20.857  8.5607  -0.8149147     12.54862  
1 1 1 4   34  32 o 35.293  10.709  946.599    445.157  0.0000     0.0000   946.599    445.157  ?       ?       35.293  10.709  0.000000       10.70924  
1 1 1 4   34  33 o 24.334  9.9963  383.607    422.621  0.0000     0.0000   383.607    422.621  ?       ?       24.334  9.9963  0.000000       9.996254  
1 1 1 4   34  34 o 47.100  10.083  1721.38    498.868  0.0000     0.0000   1721.38    498.868  ?       ?       47.100  10.083  0.000000       10.08334  
1 1 1 4   35  0  o 461.422 7.5948  115408.50  3795.63  119491.10  5368.40  111327.70  5367.27  469.311 10.561  452.967 10.940  16.34427       15.20600  
1 1 1 4   35  1  o 476.474 7.8700  123070.00  4061.46  130047.10  5744.63  116097.10  5742.91  489.575 10.834  462.520 11.464  27.05502       15.77298  
1 1 1 4   35  2  o 638.636 12.154  221412.20  8406.71  225553.59  10295.81 213128.09  14561.61 644.210 14.756  624.960 21.512  19.25085       26.08665  
1 1 1 4   35  3  o 281.745 5.6854  43011.99   1734.95  43504.49   3000.77  42764.68   2126.38  283.201 9.7829  280.894 6.9892  2.306702       12.02307  
1 1 1 4   35  4  o 253.592 5.1693  34843.23   1419.83  33064.00   2453.94  35738.60   1740.80  246.907 9.1762  256.802 6.2587  -9.894592      11.10733  
1 1 1 4   35  5  o 390.285 7.6386  82581.59   3228.97  83969.90   3955.80  79809.74   5589.53  393.449 9.2827  383.235 13.466  10.21417       16.35554  
1 1 1 4   35  6  o 363.624 7.2122  71682.84   2840.48  71826.96   3479.89  71395.12   4916.96  363.891 8.8293  362.499 12.523  1.392517       15.32286  
1 1 1 4   35  7  o 584.537 13.766  185871.30  8715.47  183565.09  12326.66 188176.50  12324.42 579.560 19.637  586.861 19.389  -7.301147      27.59634  
1 1 1 4   35  8  o 170.228 4.9459  15703.34   911.904  15156.98   1292.95  16244.11   1286.33  167.180 7.1405  173.081 6.8617  -5.900818      9.903006  
1 1 1 4   35  9  o 124.716 3.4125  8426.45    460.957  10245.43   793.877  7501.28    566.174  137.484 5.3313  117.656 4.4429  19.82800       6.939887  
1 1 1 4   35  10 o 103.064 2.7921  5754.18    311.676  6529.94    633.953  5506.91    357.919  109.750 5.3331  100.820 3.2777  8.930130       6.259815  
1 1 1 4   35  11 o 96.331  2.7332  5027.10    285.175  6228.37    590.971  4662.47    325.592  107.182 5.0907  92.766  3.2405  14.41595       6.034560  
1 1 1 4   35  12 o 266.972 4.7741  38643.02   1380.47  40562.63   2766.57  38006.62   1592.95  273.078 9.3537  264.711 5.5560  8.367279       10.87938  
1 1 1 4   35  13 o 468.899 8.3953  119543.40  4263.71  126056.90  7896.03  116862.50  5065.73  479.338 15.209  463.201 10.097  16.13687       18.25553  
1 1 1 4   35  14 o 154.745 3.3006  12977.22   553.193  13758.19   1104.20  12715.51   639.195  159.179 6.4046  153.158 3.8532  6.021271       7.474365  
1 1 1 4   35  15 o 37.598  4.6890  778.599    186.797  806.738    292.754  759.276    242.600  37.875  7.4017  36.879  6.2998  0.9963341      9.719669  
1 1 1 4   35  16 o 172.054 4.3180  16054.99   804.664  15643.68   1304.19  16307.79   1022.47  169.623 7.0988  173.328 5.4465  -3.704666      8.947468  
1 1 1 4   35  17 o 96.115  2.9804  5006.83    310.273  4605.37    587.049  5162.46    365.493  91.886  5.9303  97.585  3.4580  -5.698090      6.864868  
1 1 1 4   35  18 o 64.066  3.3643  2231.48    232.631  2056.79    427.531  2304.95    277.271  61.148  6.5576  65.069  3.9530  -3.920162      7.656884  
1 1 1 4   35  19 o 106.783 3.0192  6181.68    349.186  6023.06    690.507  6236.19    404.754  105.056 6.0946  107.233 3.4849  -2.177025      7.020617  
1 1 1 4   35  20 o 288.052 5.1056  45108.08   1592.90  43979.99   3176.42  45487.09   1841.14  282.732 10.373  289.078 5.8803  -6.345917      11.92357  
1 1 1 4   35  21 o 190.005 3.7826  19605.98   778.441  17973.20   1540.44  20165.93   902.099  181.082 7.8542  192.616 4.3241  -11.53409      8.965778  
1 1 1 4   35  22 o 37.439  1.6976  759.656    68.837   777.500    72.627   601.974    215.890  37.874  1.7704  32.621  6.3387  5.253468       6.581337  
1 1 1 4   35  23 o 30.529  1.6006  506.590    52.739   509.960    54.179   445.677    230.337  30.628  1.6392  27.918  7.4706  2.709736       7.648281  
1 1 1 4   35  24 o 96.394  3.2648  5057.61    340.864  5417.38    662.490  4928.08    397.520  98.926  6.2146  95.056  3.8611  3.869713       7.316330  
1 1 1 4   35  25 o 39.113  1.8168  830.088    76.964   768.114    419.242  832.249    78.295   36.048  10.251  39.163  1.8458  -3.114483      10.41598  
1 1 1 4   35  26 o 27.691  2.0013  418.599    59.619   409.260    60.544   717.085    342.288  27.372  2.0572  34.748  9.0169  -7.376001      9.248561  
1 1 1 4   35  27 o 55.966  4.1662  1731.24    250.733  1808.69    478.217  1701.88    294.450  55.692  8.1710  55.250  4.9738  0.4415131      9.565732  
1 1 1 4   35  28 o 62.213  3.9679  2140.06    265.981  2181.61    503.696  2124.00    313.210  61.098  7.7886  61.717  4.7214  -0.6182327     9.107930  
1 1 1 4   35  29 o 19.614  1.2653  209.631    26.736   176.358    35.642   252.443    40.430   17.910  1.8648  21.477  1.7534  -3.567045      2.559645  
1 1 1 4   35  30 o 17.133  7.3960  15.397     250.489  40.486     427.758  2.3043     309.014  21.849  9.5458  18.584  8.1166  3.264761       12.52999  
1 1 1 4   35  31 o ?       ?       -158.1365  35.152   -553.5170  429.576  -155.4712  35.270   16.052  7.8018  ?       ?       0.000000       7.801804  
1 1 1 4   35  32 o 33.376  10.413  836.484    417.353  0.0000     0.0000   836.484    417.353  ?       ?       33.376  10.413  0.000000       10.41320  
1 1 1 4   35  33 o 23.495  9.9937  319.068    445.009  0.0000     0.0000   319.068    445.009  ?       ?       23.495  9.9937  0.000000       9.993708  
1 1 1 4   35  34 o 19.628  9.0629  19.580     450.545  0.0000     0.0000   19.580     450.545  ?       ?       19.628  9.0629  0.000000       9.062893  
1 1 1 4   36  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   36  1  o 282.461 5.0530  43225.99   1545.90  45977.96   2187.39  40479.88   2185.06  291.259 6.9339  273.276 7.3823  17.98352       10.12806  
1 1 1 4   36  2  o 419.257 8.2425  95302.87   3742.91  105943.80  6481.90  89979.91   4584.47  441.607 13.552  407.241 10.394  34.36597       17.07861  
1 1 1 4   36  3  f 142.099 3.5159  10937.47   541.119  10962.20   926.977  10924.68   666.455  142.230 6.0174  142.008 4.3330  0.2217255      7.415123  
1 1 1 4   36  4  o 290.145 7.2369  45634.54   2274.25  44517.13   3215.93  46752.43   3216.62  286.424 10.366  293.541 10.117  -7.116852      14.48515  
1 1 1 4   36  5  o 415.684 8.1542  93701.48   3671.27  95171.23   4497.45  90766.26   6355.75  418.797 9.9150  408.547 14.363  10.24963       17.45313  
1 1 1 4   36  6  o 440.808 10.569  105493.90  5046.27  95744.71   7137.15  115239.40  7135.85  419.312 15.715  460.240 14.315  -40.92795      21.25755  
1 1 1 4   36  7  o 395.591 9.3971  84940.23   4026.36  90140.33   5697.56  79752.60   5690.71  407.112 12.921  382.833 13.724  24.27982       18.84973  
1 1 1 4   36  8  o 227.922 5.9462  28161.65   1467.90  30342.14   2079.28  25995.19   2072.58  236.476 8.1181  218.849 8.7437  17.62729       11.93133  
1 1 1 4   36  9  o 203.047 3.8644  22338.23   849.853  23197.89   1707.69  22055.23   979.803  206.767 7.6253  201.739 4.4841  5.028320       8.846073  
1 1 1 4   36  10 o 293.739 5.1709  46775.63   1645.10  49816.59   3295.54  45766.34   1898.58  302.694 10.052  290.497 6.0342  12.19720       11.72406  
1 1 1 4   36  11 o 331.703 5.7525  59676.04   2066.68  61550.85   4137.77  59052.87   2385.55  336.130 11.365  329.879 6.6767  6.251282       13.18155  
1 1 1 4   36  12 f 152.476 3.2472  12597.49   536.262  13621.42   1083.84  12265.57   617.089  158.431 6.3162  150.439 3.7872  7.991745       7.364551  
1 1 1 4   36  13 o 381.663 6.3906  79075.64   2641.75  86388.76   5288.11  76643.59   3049.55  397.642 12.278  375.579 7.4966  22.06265       14.38595  
1 1 1 4   36  14 o 231.584 4.2739  29079.19   1072.01  29878.44   2147.02  28813.77   1237.28  234.334 8.4592  230.477 4.9564  3.856720       9.804340  
1 1 1 4   36  15 o 90.681  3.0575  4456.23    300.295  4392.63    545.680  4483.85    359.652  89.782  5.6402  90.948  3.6511  -1.166473      6.718764  
1 1 1 4   36  16 o 151.648 3.3242  12465.24   546.004  12239.80   1080.95  12542.47   632.644  150.071 6.6503  152.095 3.8404  -2.024002      7.679483  
1 1 1 4   36  17 o 73.394  2.5969  2918.96    206.441  3130.78    457.569  2864.82    231.322  75.720  5.6194  72.704  2.9376  3.015343       6.340848  
1 1 1 4   36  18 o 260.247 4.7216  36764.46   1330.88  36002.97   2654.72  37020.09   1538.14  256.611 9.5515  261.050 5.4400  -4.439209      10.99208  
1 1 1 4   36  19 o 190.702 4.0185  19734.16   830.020  19649.85   2021.82  19751.25   910.262  189.091 9.9064  190.747 4.4059  -1.655655      10.84201  
1 1 1 4   36  20 o 37.778  5.2782  791.109    210.071  572.386    361.779  902.369    258.026  32.113  9.6343  40.255  6.1099  -8.142063      11.40831  
1 1 1 4   36  21 o 189.310 3.7960  19466.75   778.340  18514.64   1545.67  19790.20   900.900  183.746 7.7666  190.785 4.3598  -7.039352      8.906567  
1 1 1 4   36  22 o 48.999  3.8123  1313.43    200.730  913.173    375.709  1473.32    237.462  39.857  8.9252  51.852  4.2661  -11.99494      9.892394  
1 1 1 4   36  23 o 137.307 3.3377  10254.30   496.384  10675.47   983.679  10110.42   574.956  139.254 6.5219  136.234 3.8965  3.020416       7.597257  
1 1 1 4   36  24 o 96.863  3.2791  5107.99    344.018  4679.50    668.675  5262.23    401.185  91.692  6.7812  98.232  3.7707  -6.539955      7.759043  
1 1 1 4   36  25 o 54.098  4.0347  1609.03    234.707  1379.73    466.600  1686.70    271.564  48.554  9.2095  55.279  4.5768  -6.724640      10.28406  
1 1 1 4   36  26 o 65.172  2.1325  2307.89    150.533  2123.75    232.868  2440.08    197.299  62.255  3.4673  66.943  2.7211  -4.688496      4.407599  
1 1 1 4   36  27 o 81.484  3.4643  3634.83    305.741  2896.87    586.228  3910.55    358.335  70.877  7.7635  84.391  3.9203  -13.51442      8.697163  
1 1 1 4   36  28 f 39.020  5.4942  866.873    225.770  1309.58    444.265  712.734    262.143  46.433  9.1591  34.730  7.2051  11.70356       11.65340  
1 1 1 4   36  29 o 127.704 3.4355  8969.39    475.187  8081.44    911.881  9300.40    556.756  118.049 7.1658  129.710 3.9630  -11.66165      8.188676  
1 1 1 4   36  30 f 52.364  2.6675  1506.77    150.789  1475.19    492.741  1510.03    158.387  47.797  9.8457  52.382  2.8019  -4.584171      10.23661  
1 1 1 4   36  31 o 52.114  5.0029  1574.75    278.916  678.494    491.880  1999.50    338.618  30.619  11.272  58.454  5.4098  -27.83452      12.50280  
1 1 1 4   36  32 o 50.498  2.6165  1413.03    142.618  0.0000     0.0000   1413.03    142.618  ?       ?       50.498  2.6165  0.000000       2.616500  
1 1 1 4   36  33 o 15.780  7.7015  -498.8165  430.737  0.0000     0.0000   -498.8165  430.737  ?       ?       15.780  7.7015  0.000000       7.701482  
1 1 1 4   36  34 o 21.581  9.4308  242.924    417.708  0.0000     0.0000   242.924    417.708  ?       ?       21.581  9.4308  0.000000       9.430806  
1 1 1 4   37  0  o 387.221 6.5103  81259.93   2730.41  81276.18   3861.98  81243.70   3860.77  387.117 9.2108  387.040 9.2098  0.7723999E-01  13.02530  
1 1 1 4   37  1  o 369.991 7.2696  74203.27   2913.22  74237.98   5042.68  74185.88   3569.08  369.735 12.592  369.861 8.9094  -0.1260376     15.42528  
1 1 1 4   37  2  o 424.773 8.3288  97835.04   3831.88  101760.20  6634.76  95870.47   4693.86  432.704 14.157  420.348 10.310  12.35550       17.51305  
1 1 1 4   37  3  o 126.562 3.3550  8676.42    459.901  7868.67    787.727  9094.13    566.468  120.346 6.0628  129.567 4.0366  -9.220879      7.283593  
1 1 1 4   37  4  o 805.838 26.780  356676.50  23373.43 356676.50  23373.43 0.0000     0.0000   805.838 26.780  ?       ?       0.000000       26.77963  
1 1 1 4   37  5  o 465.005 15.689  117725.00  7901.56  117725.00  7901.56  0.0000     0.0000   465.005 15.689  ?       ?       0.000000       15.68863  
1 1 1 4   37  6  o 431.483 10.361  101087.70  4842.14  95810.78   6848.91  106361.20  6846.73  419.461 15.075  442.075 14.299  -22.61359      20.77811  
1 1 1 4   37  7  o 527.644 12.491  151415.09  7138.56  149165.20  10096.73 153663.91  10094.16 522.557 17.839  530.447 17.569  -7.890198      25.03845  
1 1 1 4   37  8  o 217.653 4.3290  25669.85   1020.53  26090.45   1359.27  25126.46   1545.01  219.382 5.7205  215.253 6.6269  4.128296       8.754421  
1 1 1 4   37  9  o 390.363 8.4146  82733.13   3557.74  82100.94   5559.88  83171.48   4629.68  388.146 13.225  391.055 10.931  -2.909088      17.15755  
1 1 1 4   37  10 o 308.629 5.4274  51647.22   1814.24  50804.45   3633.21  51927.17   2094.00  305.519 10.979  309.402 6.2486  -3.882599      12.63305  
1 1 1 4   37  11 o 249.502 4.7540  33749.04   1284.72  34253.57   2410.41  33548.85   1518.36  251.022 8.8656  248.706 5.6366  2.315933       10.50573  
1 1 1 4   37  12 o 155.332 3.4028  13074.80   572.494  14762.91   1112.50  12466.75   667.685  164.935 6.2276  151.657 4.0648  13.27768       7.436743  
1 1 1 4   37  13 o 269.944 4.7874  39517.92   1399.71  39186.58   2804.73  39627.81   1615.23  268.235 9.6540  270.257 5.5181  -2.021881      11.11973  
1 1 1 4   37  14 o 106.262 2.8356  6118.37    326.358  6450.57    665.216  6013.07    374.529  108.874 5.6607  105.334 3.2828  3.539856       6.543712  
1 1 1 4   37  15 o 217.945 5.8432  25789.03   1379.32  26400.87   1948.91  25174.98   1952.40  220.248 8.1698  215.046 8.3824  5.202271       11.70511  
1 1 1 4   37  16 o 233.462 4.3532  29562.87   1100.77  28625.95   2196.37  29877.14   1272.05  229.178 8.8484  234.641 5.0053  -5.463699      10.16595  
1 1 1 4   37  17 o 123.393 3.1156  8252.98    416.393  8146.13    808.836  8291.51    485.698  122.437 6.0993  123.661 3.6263  -1.224556      7.095869  
1 1 1 4   37  18 o 108.974 3.0146  6437.40    355.811  6848.13    701.499  6295.13    412.860  112.101 5.7974  107.743 3.5379  4.357880       6.791651  
1 1 1 4   37  19 o 164.008 3.4782  14589.79   617.851  13136.24   1217.73  15093.71   716.995  155.220 7.2433  166.777 3.9693  -11.55714      8.259544  
1 1 1 4   37  20 o 106.230 3.0887  6120.87    355.377  5978.00    687.678  6172.93    415.102  104.572 6.0980  106.651 3.5935  -2.079590      7.078074  
1 1 1 4   37  21 o 98.645  2.9220  5279.79    312.196  4982.15    628.745  5377.18    359.667  95.327  6.1220  99.522  3.3366  -4.195389      6.972222  
1 1 1 4   37  22 o 74.497  3.1354  3014.44    252.991  2822.93    481.044  3087.66    297.451  71.509  6.2743  75.357  3.6444  -3.847542      7.255873  
1 1 1 4   37  23 o 125.427 3.2422  8556.01    440.451  9502.24    879.619  8239.37    508.837  131.447 6.1783  122.983 3.8200  8.464844       7.263913  
1 1 1 4   37  24 o 160.374 3.6593  14022.57   635.631  14979.69   1218.66  13664.88   744.995  164.386 6.8446  158.096 4.3507  6.289810       8.110330  
1 1 1 4   37  25 o 69.853  3.5830  2670.40    270.169  2700.26    523.418  2659.55    315.438  69.214  7.0818  69.573  4.2058  -0.3594513     8.236563  
1 1 1 4   37  26 o 46.705  2.1020  1185.23    106.330  1205.45    115.792  1076.44    268.566  47.088  2.2704  43.676  5.8223  3.412571       6.249285  
1 1 1 4   37  27 f 31.650  1.3340  543.395    45.731   -210.1948  411.588  552.815    46.016   19.322  8.8254  31.924  1.3308  -12.60179      8.925179  
1 1 1 4   37  28 o 69.391  3.5487  2651.60    265.823  2306.35    455.300  2830.15    327.421  63.341  6.7401  71.441  4.2506  -8.100342      7.968520  
1 1 1 4   37  29 o 48.889  2.7682  1311.73    145.978  1758.42    492.321  1268.68    152.852  53.804  8.7488  48.034  2.9523  5.770515       9.233479  
1 1 1 4   37  30 o 37.475  6.7487  841.613    263.849  848.044    454.866  838.352    323.911  35.369  10.844  36.523  8.3678  -1.153915      13.69739  
1 1 1 4   37  31 o 18.648  8.1603  42.496     313.689  0.0000     0.0000   42.496     313.689  ?       ?       18.648  8.1603  0.000000       8.160321  
1 1 1 4   37  32 o 26.204  10.111  471.067    406.452  0.0000     0.0000   471.067    406.452  ?       ?       26.204  10.111  0.000000       10.11133  
1 1 1 4   37  33 o 29.429  10.513  699.737    423.705  0.0000     0.0000   699.737    423.705  ?       ?       29.429  10.513  0.000000       10.51258  
1 1 1 4   37  34 o 44.296  2.3111  1089.24    110.497  0.0000     0.0000   1089.24    110.497  ?       ?       44.296  2.3111  0.000000       2.311124  
1 1 1 4   38  0  o 181.858 4.0670  17915.77   801.079  18683.86   1382.16  17527.24   983.024  185.663 6.8733  179.861 5.0461  5.802826       8.526731  
1 1 1 4   38  1  o 257.598 5.3437  35954.63   1490.92  35420.79   2578.10  36222.88   1827.50  255.541 9.3147  258.524 6.5266  -2.982391      11.37365  
1 1 1 4   38  2  o 341.897 6.7382  63358.50   2495.21  62660.55   4318.08  63708.39   3057.33  339.711 11.736  342.767 8.2352  -3.055634      14.33687  
1 1 1 4   38  3  o 451.463 8.6748  110544.30  4241.81  114100.60  5196.24  103440.70  7343.92  458.511 10.463  435.993 15.552  22.51776       18.74398  
1 1 1 4   38  4  o 209.551 8.0164  23813.06   1819.43  23813.06   1819.43  0.0000     0.0000   209.551 8.0164  ?       ?       0.000000       8.016356  
1 1 1 4   38  5  o 878.392 20.393  421938.81  19401.76 440609.69  27439.81 403272.31  27436.64 893.583 28.351  854.136 29.657  39.44666       41.02890  
1 1 1 4   38  6  o 422.624 10.115  96985.57   4630.02  98127.76   6549.67  95844.66   6546.01  424.549 14.244  419.556 14.405  4.993195       20.25805  
1 1 1 4   38  7  o 242.462 4.4092  31854.80   1157.91  32644.36   1639.51  31069.05   1635.55  245.382 6.1688  239.382 6.3082  5.999939       8.823096  
1 1 1 4   38  8  o 176.665 3.5637  16909.20   681.903  16880.89   967.254  16937.18   961.485  176.479 5.0603  176.774 5.0217  -0.2950897     7.129131  
1 1 1 4   38  9  o 392.496 7.6799  83616.30   3264.84  84305.88   5658.56  83272.18   3997.29  393.227 13.286  391.463 9.4277  1.764069       16.29101  
1 1 1 4   38  10 o 147.633 3.3508  11809.22   535.795  11275.63   1054.49  11994.92   622.081  144.149 6.7540  148.777 3.8605  -4.627762      7.779470  
1 1 1 4   38  11 o 312.433 5.4802  52942.69   1854.49  47803.59   3712.03  54651.99   2140.80  296.116 11.574  317.367 6.2279  -21.25189      13.14315  
1 1 1 4   38  12 o 130.418 3.0420  9215.96    429.705  9501.92    871.785  9124.18    493.866  132.324 6.0827  129.756 3.5141  2.568192       7.024849  
1 1 1 4   38  13 o 160.241 3.5023  13916.19   607.841  15132.63   1175.50  13472.22   710.153  166.940 6.5012  157.639 4.1593  9.301102       7.717827  
1 1 1 4   38  14 o 326.211 5.6227  57755.21   1986.61  62700.04   3976.95  56111.05   2293.23  338.883 10.835  321.403 6.5876  17.47986       12.68046  
1 1 1 4   38  15 o 634.243 15.054  221597.30  10341.42 216220.00  14624.79 226974.80  14625.16 620.814 21.750  636.607 21.211  -15.79309      30.38027  
1 1 1 4   38  16 o 465.128 8.4620  117859.50  4263.00  115988.70  12078.99 118125.70  4556.19  450.795 24.835  465.460 9.0375  -14.66418      26.42802  
1 1 1 4   38  17 o 198.923 3.8961  21460.38   839.434  22435.96   1671.54  21131.38   970.716  202.982 7.6031  197.341 4.5416  5.641541       8.856211  
1 1 1 4   38  18 o 256.848 4.6381  35810.80   1290.28  33031.33   2567.65  36749.78   1492.39  245.720 9.6477  260.100 5.2975  -14.38026      11.00645  
1 1 1 4   38  19 o 182.773 3.6977  18124.25   732.008  16897.19   1449.56  18544.28   848.088  175.956 7.6061  184.825 4.2365  -8.869019      8.706333  
1 1 1 4   38  20 o 95.357  3.0503  4932.26    315.039  4975.92    603.458  4915.91    369.369  95.394  5.8691  95.170  3.5834  0.2238846      6.876532  
1 1 1 4   38  21 o 91.500  3.0692  4544.11    304.171  4269.61    585.650  4645.51    355.944  88.186  6.1704  92.480  3.5535  -4.294067      7.120478  
1 1 1 4   38  22 o 76.695  3.0925  3195.27    256.888  3150.65    492.194  3211.97    301.161  75.596  6.0623  76.852  3.6180  -1.256233      7.059863  
1 1 1 4   38  23 o 29.297  6.7702  492.203    210.519  433.561    410.418  513.140    245.238  29.282  10.359  29.856  7.5725  -0.5732422     12.83126  
1 1 1 4   38  24 o 77.332  3.4273  3258.25    287.068  3042.87    560.005  3335.01    334.337  73.692  7.1042  78.060  3.9675  -4.367805      8.136963  
1 1 1 4   38  25 f 24.835  1.5281  335.789    40.905   613.341    399.551  332.849    41.121   32.526  10.195  24.725  1.5433  7.800938       10.31154  
1 1 1 4   38  26 o 38.749  2.1689  818.615    90.664   789.537    97.155   1014.66    252.271  38.028  2.3706  42.428  5.6286  -4.400406      6.107449  
1 1 1 4   38  27 o 48.595  4.5864  1315.46    238.541  1667.81    465.853  1190.24    277.710  53.230  8.3554  45.848  5.7166  7.381840       10.12384  
1 1 1 4   38  28 o 5.3441  2.4323  -19.4297   30.917   -15.8682   31.109   -305.0714  278.600  5.5025  2.4784  14.193  6.7331  -8.690058      7.174798  
1 1 1 4   38  29 o 26.694  7.9275  429.011    245.875  612.054    436.855  344.143    297.464  31.434  10.711  24.868  8.8163  6.566538       13.87272  
1 1 1 4   38  30 o 41.276  6.0206  1001.80    261.234  999.080    464.077  1003.06    316.066  38.194  10.759  40.476  7.4852  -2.282307      13.10662  
1 1 1 4   38  31 o 56.906  5.6822  1918.91    345.537  0.0000     0.0000   1918.91    345.537  ?       ?       56.906  5.6822  0.000000       5.682186  
1 1 1 4   38  32 o 45.212  9.7256  1458.28    462.122  0.0000     0.0000   1458.28    462.122  ?       ?       45.212  9.7256  0.000000       9.725631  
1 1 1 4   38  33 o 26.510  10.458  542.729    442.696  0.0000     0.0000   542.729    442.696  ?       ?       26.510  10.458  0.000000       10.45790  
1 1 1 4   38  34 o 28.830  10.837  734.091    459.292  0.0000     0.0000   734.091    459.292  ?       ?       28.830  10.837  0.000000       10.83748  
1 1 1 4   39  0  o 261.590 5.2788  37078.09   1495.65  36422.96   2586.93  37407.02   1833.06  259.124 9.2174  262.712 6.4421  -3.588318      11.24545  
1 1 1 4   39  1  o 339.053 6.8242  62312.55   2506.04  68644.58   4338.84  59142.70   3069.89  355.580 11.266  330.228 8.5830  25.35239       14.16291  
1 1 1 4   39  2  o 655.076 15.314  233510.59  10865.78 238532.20  15367.07 228489.70  15366.00 660.556 21.479  646.368 21.949  14.18860       30.70979  
1 1 1 4   39  3  o 1106.91 37.138  683329.81  44524.21 683329.81  44524.21 0.0000     0.0000   1106.91 37.138  ?       ?       0.000000       37.13770  
1 1 1 4   39  4  o 951.618 22.253  496079.41  22936.05 483082.50  32437.01 509075.41  32435.95 933.338 32.087  958.707 31.237  -25.36853      44.78106  
1 1 1 4   39  5  o 267.799 6.7956  38883.72   1971.08  39734.94   2790.40  38035.99   2784.66  270.561 9.5220  264.702 9.7128  5.859741       13.60178  
1 1 1 4   39  6  o 242.486 4.4620  31860.66   1171.88  31987.90   1658.17  31733.69   1656.39  242.902 6.3027  241.934 6.3211  0.9678802      8.926429  
1 1 1 4   39  7  o 155.633 3.3105  13121.72   558.044  13125.44   792.471  13118.06   785.956  155.628 4.7014  155.585 4.6640  0.4292297E-01  6.622405  
1 1 1 4   39  8  o 561.121 9.3065  171037.91  5656.03  169767.30  7999.60  172308.00  7998.07  558.157 13.233  562.344 13.131  -4.187622      18.64227  
1 1 1 4   39  9  o 229.309 4.2508  28497.12   1055.75  28992.72   1496.16  28005.62   1489.96  231.211 5.9745  227.236 6.0538  3.974442       8.505464  
1 1 1 4   39  10 o 409.046 6.9027  90812.84   3058.15  94332.92   6120.68  89641.72   3530.40  415.573 13.598  406.241 8.0236  9.331696       15.78891  
1 1 1 4   39  11 o 83.188  2.7447  3749.13    247.298  3273.14    504.596  3899.60    283.705  77.433  6.0650  84.837  3.0875  -7.403221      6.805680  
1 1 1 4   39  12 f 265.047 4.7564  38093.88   1365.45  39568.24   2736.29  37605.00   1575.65  269.619 9.3701  263.280 5.5255  6.338348       10.87791  
1 1 1 4   39  13 f 162.206 3.3730  14259.06   592.585  14127.72   1194.64  14301.93   682.465  161.273 6.8392  162.430 3.8792  -1.156784      7.862737  
1 1 1 4   39  14 o 56.924  2.1482  1755.41    132.445  1724.97    388.345  1759.42    140.892  55.977  6.5279  56.988  2.2826  -1.011002      6.915450  
1 1 1 4   39  15 o 183.023 5.2141  18178.91   1033.61  18073.30   1462.46  18284.31   1461.03  182.296 7.4069  183.362 7.3566  -1.066345      10.43946  
1 1 1 4   39  16 o 140.884 3.2032  10758.33   488.777  10840.07   971.938  10730.66   565.484  141.236 6.3536  140.682 3.7112  0.5549011      7.358086  
1 1 1 4   39  17 o 132.886 3.2473  9573.07    467.380  9221.61    965.346  9680.67    534.161  130.009 6.8800  133.611 3.6911  -3.601395      7.807595  
1 1 1 4   39  18 o 93.656  3.0393  4755.14    308.299  4028.06    579.279  5042.47    364.156  85.826  6.2751  96.428  3.4867  -10.60191      7.178708  
1 1 1 4   39  19 o 148.704 3.3047  11993.65   532.258  11295.79   1052.45  12233.47   616.976  143.963 6.7496  150.146 3.7939  -6.183777      7.742794  
1 1 1 4   39  20 o 22.973  6.3276  296.730    162.458  184.574    284.946  350.744    197.745  22.175  8.4890  24.994  7.0169  -2.819769      11.01367  
1 1 1 4   39  21 o 77.371  3.1209  3249.75    261.537  2808.37    491.075  3424.51    309.006  71.365  6.4220  79.392  3.5935  -8.027115      7.358992  
1 1 1 4   39  22 o 18.006  6.6421  141.118    170.930  258.768    391.201  113.357    190.029  25.819  9.9318  17.836  6.9049  7.983021       12.09625  
1 1 1 4   39  23 o 54.564  3.9846  1632.01    233.856  1850.27    467.636  1559.22    270.048  57.229  7.7432  53.193  4.7368  4.035931       9.077132  
1 1 1 4   39  24 o 56.438  3.8007  1745.92    230.978  2325.19    472.668  1564.20    264.741  64.381  6.8852  53.245  4.6369  11.13572       8.300997  
1 1 1 4   39  25 o 38.357  5.3370  826.405    215.717  593.021    426.197  906.786    250.121  32.231  10.572  40.049  5.9468  -7.818451      12.12997  
1 1 1 4   39  26 f 87.652  2.9661  4189.75    281.586  4321.85    431.513  4091.78    371.612  88.510  4.5163  86.384  3.9718  2.125809       6.014319  
1 1 1 4   39  27 o 60.667  3.9906  2032.83    260.749  2308.05    505.744  1933.18    304.313  63.161  7.5420  58.894  4.8128  4.267609       8.946747  
1 1 1 4   39  28 o 46.282  2.5643  1172.68    128.044  1063.30    144.482  1573.02    276.404  43.963  3.0532  52.941  4.8752  -8.977596      5.752373  
1 1 1 4   39  29 o 84.750  3.7270  3967.10    342.118  3780.66    624.658  4047.00    408.898  80.325  7.2583  85.142  4.4495  -4.816109      8.513616  
1 1 1 4   39  30 o 21.896  1.4570  261.882    34.356   -33.7492   424.752  263.829    34.469   20.585  9.2241  21.978  1.4563  -1.392418      9.338331  
1 1 1 4   39  31 o 27.815  8.5586  518.977    283.038  0.0000     0.0000   518.977    283.038  ?       ?       27.815  8.5586  0.000000       8.558569  
1 1 1 4   39  32 o 28.680  2.6095  458.547    80.173   0.0000     0.0000   458.547    80.173   ?       ?       28.680  2.6095  0.000000       2.609542  
1 1 1 4   39  33 o 32.617  12.805  1084.80    660.734  0.0000     0.0000   1084.80    660.734  ?       ?       32.617  12.805  0.000000       12.80516  
1 1 1 4   39  34 o 28.342  10.502  687.294    428.296  0.0000     0.0000   687.294    428.296  ?       ?       28.342  10.502  0.000000       10.50232  
1 1 1 4   40  0  o 599.613 14.024  195517.50  9107.98  200902.09  12881.71 190134.80  12879.54 606.615 19.606  590.001 20.155  16.61450       28.11782  
1 1 1 4   40  1  o 137.118 3.5562  10184.64   528.139  10045.46   650.644  10453.47   904.268  136.168 4.4116  138.881 6.0115  -2.712952      7.456613  
1 1 1 4   40  2  o 578.929 19.344  183022.80  12129.74 183022.80  12129.74 0.0000     0.0000   578.929 19.344  ?       ?       0.000000       19.34445  
1 1 1 4   40  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 4   40  4  o 267.930 6.8042  38921.63   1974.54  40284.64   2793.28  37560.29   2791.56  272.432 9.4664  263.038 9.7985  9.394379       13.62436  
1 1 1 4   40  5  o 217.519 4.0446  25634.72   952.885  26536.02   1348.81  24736.71   1346.36  221.264 5.6282  213.624 5.8189  7.639542       8.095456  
1 1 1 4   40  6  o 129.123 2.9326  9031.49    410.131  9257.86    583.156  8809.93    576.920  130.715 4.1190  127.512 4.1773  3.202393       5.866485  
1 1 1 4   40  7  o 308.684 5.3588  51651.92   1791.65  54580.40   2535.52  48731.53   2532.02  317.176 7.3807  299.668 7.8011  17.50797       10.73927  
1 1 1 4   40  8  o 152.096 3.7859  12534.63   623.670  12659.71   765.800  12288.28   1074.74  152.832 4.6263  150.510 6.5928  2.322052       8.053989  
1 1 1 4   40  9  o 468.890 7.8276  119381.80  3975.29  123453.90  5623.12  115313.10  5620.69  476.226 10.902  460.174 11.277  16.05225       15.68502  
1 1 1 4   40  10 o 239.218 4.4126  31019.69   1143.28  29843.96   2292.03  31409.12   1319.10  234.288 9.0324  240.679 5.0602  -6.391266      10.35325  
1 1 1 4   40  11 o 144.367 3.1443  11292.96   491.656  11105.21   990.833  11354.29   566.290  143.044 6.3953  144.747 3.6121  -1.702957      7.344886  
1 1 1 4   40  12 o 61.304  2.7701  2036.19    183.930  1877.06    387.914  2082.33    208.906  58.477  6.2201  61.912  3.1254  -3.434841      6.961199  
1 1 1 4   40  13 o 162.987 3.5159  14398.07   620.677  15622.06   1200.79  13951.82   725.048  169.603 6.5367  160.415 4.1730  9.188339       7.755205  
1 1 1 4   40  14 o 222.465 4.8424  26847.28   1166.78  27423.43   2025.49  26561.15   1427.40  224.468 8.3312  221.180 5.9584  3.287262       10.24261  
1 1 1 4   40  15 o 280.379 5.7131  42682.46   1734.94  44796.19   3009.57  41630.39   2123.25  286.544 9.6971  276.710 7.0844  9.834137       12.00930  
1 1 1 4   40  16 o 194.493 3.8196  20511.89   804.615  20723.55   1607.40  20441.12   929.444  195.123 7.6058  194.115 4.4207  1.008209       8.797203  
1 1 1 4   40  17 o 101.127 2.9660  5543.26    324.868  4394.00    624.401  5969.83    380.412  89.654  6.4737  104.933 3.3471  -15.27911      7.287820  
1 1 1 4   40  18 o 202.949 4.1355  22351.11   909.051  19936.65   1709.00  23303.80   1073.52  191.092 8.2571  207.157 4.7845  -16.06493      9.543164  
1 1 1 4   40  19 o 62.865  3.3152  2149.63    224.928  1897.70    412.454  2256.27    268.342  58.642  6.6090  64.360  3.8674  -5.717983      7.657409  
1 1 1 4   40  20 o 73.151  2.3150  2900.90    183.417  2664.08    298.873  3043.97    232.307  69.919  3.9629  74.912  2.8631  -4.992897      4.888957  
1 1 1 4   40  21 o 207.514 4.1641  23427.13   935.916  19355.67   1753.46  25049.17   1106.76  187.216 8.6474  214.427 4.7654  -27.21129      9.873507  
1 1 1 4   40  22 o 47.155  4.1491  1220.75    209.751  934.895    467.284  1292.88    234.726  40.037  10.607  48.478  4.5226  -8.440811      11.53053  
1 1 1 4   40  23 o 45.537  4.3410  1142.58    211.512  484.453    438.265  1342.42    241.498  30.564  10.714  49.349  4.5701  -18.78546      11.64765  
1 1 1 4   40  24 o 5.9089  2.5634  -4.9305    30.389   244.512    385.603  -6.4895    30.484   25.198  9.8134  5.8465  2.5515  19.35109       10.13965  
1 1 1 4   40  25 o 95.916  2.8711  5010.00    298.272  5396.91    661.467  4911.25    334.176  98.358  6.2414  94.892  3.2514  3.466156       7.037563  
1 1 1 4   40  26 o 33.364  5.5578  633.362    193.777  590.029    318.594  658.804    244.123  31.519  8.9270  33.657  6.9277  -2.138123      11.29975  
1 1 1 4   40  27 o 53.145  4.1783  1565.58    238.572  951.737    479.425  1767.61    275.045  38.964  10.921  56.375  4.5430  -17.41185      11.82850  
1 1 1 4   40  28 o 34.269  6.2840  684.553    224.647  979.490    444.188  583.186    260.406  39.331  10.304  31.114  7.7549  8.217312       12.89587  
1 1 1 4   40  29 o 29.216  7.8771  522.388    254.947  461.106    442.622  552.813    311.879  28.501  10.654  29.833  8.9441  -1.331985      13.91032  
1 1 1 4   40  30 o 27.133  7.9657  465.425    249.446  384.657    444.128  502.645    301.492  26.323  10.446  27.942  8.8690  -1.618885      13.70324  
1 1 1 4   40  31 f 38.558  9.6964  1043.45    404.542  0.0000     0.0000   1043.45    404.542  ?       ?       38.558  9.6964  0.000000       9.696350  
1 1 1 4   40  32 o 28.455  10.213  604.853    400.356  0.0000     0.0000   604.853    400.356  ?       ?       28.455  10.213  0.000000       10.21305  
1 1 1 4   40  33 o 15.764  7.6705  -442.4142  418.218  0.0000     0.0000   -442.4142  418.218  ?       ?       15.764  7.6705  0.000000       7.670472  
1 1 1 4   40  34 o 19.347  8.9290  10.932     436.554  0.0000     0.0000   10.932     436.554  ?       ?       19.347  8.9290  0.000000       8.929021  
1 1 1 4   41  0  o 441.109 8.7130  105558.50  4162.81  102511.00  5099.44  111645.90  7207.19  434.487 10.836  452.919 14.692  -18.43253      18.25571  
1 1 1 4   41  1  o 673.137 22.434  248285.91  16355.85 248285.91  16355.85 0.0000     0.0000   673.137 22.434  ?       ?       0.000000       22.43364  
1 1 1 4   41  2  o 400.073 13.654  87073.53   5916.77  87073.53   5916.77  0.0000     0.0000   400.073 13.654  ?       ?       0.000000       13.65446  
1 1 1 4   41  3  o 145.103 4.5453  11408.38   714.347  11421.37   1010.11  11395.39   1010.37  145.148 6.4252  144.982 6.4342  0.1653900      9.092975  
1 1 1 4   41  4  o 18.101  1.1772  178.186    22.953   177.911    23.249   188.837    144.435  18.085  1.1936  18.989  6.1505  -0.9033928     6.265224  
1 1 1 4   41  5  o 118.730 2.8187  7635.94    362.482  8219.11    516.200  7068.64    509.127  123.168 3.8695  114.219 4.1154  8.948235       5.648857  
1 1 1 4   41  6  o 164.983 3.4262  14746.28   612.233  14705.38   868.002  14786.78   863.670  164.722 4.8652  165.178 4.8275  -0.4561920     6.853824  
1 1 1 4   41  7  o 239.977 4.3924  31209.22   1141.67  31684.00   1616.77  30737.03   1612.37  241.713 6.1756  238.069 6.2530  3.643707       8.788534  
1 1 1 4   41  8  o 433.219 7.3202  101860.10  3434.81  99926.77   4858.39  103792.10  4856.72  428.600 10.466  436.848 10.265  -8.247803      14.65927  
1 1 1 4   41  9  o 284.052 5.0613  43746.63   1557.14  42028.10   2203.12  45462.04   2201.13  278.239 7.3106  289.410 7.0220  -11.17111      10.13670  
1 1 1 4   41  10 o 153.411 3.8217  12754.72   635.006  12182.20   1107.13  13035.40   775.188  149.808 6.8233  155.063 4.6156  -5.255646      8.237804  
1 1 1 4   41  11 o 169.120 3.4449  15499.42   631.008  15594.79   1268.51  15468.06   727.387  169.470 6.9109  168.930 3.9755  0.5397491      7.972736  
1 1 1 4   41  12 o 46.159  3.1407  1159.93    156.086  670.129    329.057  1302.13    177.302  34.440  8.7914  48.902  3.3680  -14.46204      9.414490  
1 1 1 4   41  13 o 221.347 4.1293  26563.87   989.978  27664.92   1986.87  26200.25   1141.81  225.513 8.1345  219.783 4.7965  5.730026       9.443321  
1 1 1 4   41  14 o 294.606 6.0299  47128.92   1924.07  46987.80   3334.27  47199.37   2355.90  293.369 10.493  294.629 7.3826  -1.260468      12.83023  
1 1 1 4   41  15 o 332.224 7.4275  60037.90   2672.66  61215.53   4191.36  59230.95   3469.55  334.414 11.572  329.465 9.7229  4.948883       15.11423  
1 1 1 4   41  16 o 273.805 5.2966  40703.39   1570.77  41546.09   2937.86  40366.07   1858.76  275.765 9.8361  272.524 6.2972  3.241150       11.67916  
1 1 1 4   41  17 o 237.782 4.4062  30681.51   1134.79  29831.14   2266.92  30965.86   1310.86  233.724 8.9549  238.803 5.0681  -5.078827      10.28965  
1 1 1 4   41  18 o 140.165 3.2133  10653.21   487.815  10044.87   966.942  10860.90   564.982  135.824 6.5729  141.495 3.6866  -5.671448      7.536126  
1 1 1 4   41  19 o 211.952 4.2201  24396.64   968.784  21732.70   1814.04  25459.56   1145.87  199.221 8.4070  216.416 4.8885  -17.19572      9.725004  
1 1 1 4   41  20 o 94.650  2.9761  4860.57    305.097  4153.68    581.204  5129.46    358.457  87.011  6.2079  97.205  3.4047  -10.19398      7.080267  
1 1 1 4   41  21 o 234.494 4.3284  29935.93   1099.32  26857.67   2188.47  30974.80   1271.36  220.096 9.1803  238.344 4.9249  -18.24754      10.41789  
1 1 1 4   41  22 o 51.280  4.1898  1442.85    230.675  1623.37    499.080  1393.81    260.128  53.286  8.9658  50.285  4.8358  3.001308       10.18677  
1 1 1 4   41  23 o 72.252  3.3603  2842.11    262.967  2620.73    550.400  2907.59    299.342  68.266  7.5715  72.928  3.8029  -4.662338      8.472857  
1 1 1 4   41  24 o 27.203  6.6750  426.843    195.197  242.949    402.924  483.237    223.129  25.488  10.002  28.895  7.1649  -3.406853      12.30334  
1 1 1 4   41  25 o 68.437  3.4154  2556.91    253.164  2334.30    522.946  2625.05    289.329  63.951  7.7049  69.158  3.8782  -5.206528      8.625929  
1 1 1 4   41  26 o 20.347  1.3892  225.601    30.431   -206.0436  392.047  228.218    30.523   18.890  8.6225  20.465  1.3852  -1.574535      8.733068  
1 1 1 4   41  27 f 51.924  4.3023  1497.53    239.777  1173.11    478.312  1606.43    277.111  43.454  10.317  53.623  4.8229  -10.16857      11.38844  
1 1 1 4   41  28 o 26.554  7.2109  420.157    212.742  429.172    428.773  417.212    245.030  28.190  10.496  26.473  7.9258  1.716606       13.15217  
1 1 1 4   41  29 o 41.333  5.7503  987.766    250.454  217.075    461.776  1308.96    298.110  24.876  10.355  47.593  5.9104  -22.71755      11.92286  
1 1 1 4   41  30 o 43.690  5.8309  1126.43    269.031  345.441    474.473  1496.49    326.609  25.868  10.605  50.233  6.1301  -24.36564      12.24918  
1 1 1 4   41  31 o 35.528  10.383  927.191    424.687  0.0000     0.0000   927.191    424.687  ?       ?       35.528  10.383  0.000000       10.38321  
1 1 1 4   41  32 o 28.941  10.491  642.048    423.698  0.0000     0.0000   642.048    423.698  ?       ?       28.941  10.491  0.000000       10.49050  
1 1 1 4   41  33 o 42.271  10.083  1375.73    455.164  0.0000     0.0000   1375.73    455.164  ?       ?       42.271  10.083  0.000000       10.08283  
1 1 1 4   41  34 o 18.764  8.5457  31.479     382.367  0.0000     0.0000   31.479     382.367  ?       ?       18.764  8.5457  0.000000       8.545720  
1 1 1 4   42  0  o 255.489 13.268  35599.90   3658.88  35599.90   3658.88  0.0000     0.0000   255.489 13.268  ?       ?       0.000000       13.26795  
1 1 1 4   42  1  o 260.834 9.4449  36927.72   2668.28  36927.72   2668.28  0.0000     0.0000   260.834 9.4449  ?       ?       0.000000       9.444899  
1 1 1 4   42  2  o 721.280 16.903  283851.31  13205.13 273490.91  18675.22 294211.09  18674.54 705.134 24.453  731.762 23.562  -26.62781      33.95716  
1 1 1 4   42  3  o 329.310 5.7349  58781.93   2045.51  58018.02   2892.98  59545.64   2892.59  327.012 8.1679  331.297 8.0612  -4.285004      11.47597  
1 1 1 4   42  4  o 753.455 12.483  308837.31  10187.22 307692.09  14407.11 309982.50  14406.69 750.328 17.728  753.141 17.661  -2.813232      25.02379  
1 1 1 4   42  5  o 439.728 7.3456  104893.70  3498.49  108536.60  4948.34  101252.90  4946.88  446.942 10.222  431.634 10.581  15.30801       14.71250  
1 1 1 4   42  6  o 428.133 7.1848  99444.34   3331.67  99702.49   4712.41  99186.36   4710.98  428.304 10.158  427.190 10.182  1.113586       14.38256  
1 1 1 4   42  7  o 118.169 2.8665  7564.56    366.884  7615.08    524.247  7516.07    513.622  118.543 4.0831  117.771 4.0266  0.7720490      5.734535  
1 1 1 4   42  8  o 202.319 3.9206  22182.14   859.139  21926.97   1218.25  22434.61   1211.79  201.082 5.5936  203.401 5.5005  -2.318909      7.844996  
1 1 1 4   42  9  o 149.898 3.3799  12175.06   548.750  11951.57   750.975  12431.11   803.816  148.479 4.6697  151.421 4.9012  -2.941452      6.769615  
1 1 1 4   42  10 o 131.465 3.4613  9365.57    492.855  10261.01   864.009  8933.67    600.056  137.529 5.8004  128.376 4.3156  9.152863       7.229675  
1 1 1 4   42  11 o 28.081  4.3223  437.486    127.247  284.800    278.486  477.775    143.054  24.375  8.5405  29.323  4.6601  -4.948006      9.729155  
1 1 1 4   42  12 o 234.430 4.3200  29797.67   1096.90  29442.71   2198.90  29915.26   1265.62  232.605 8.7281  234.847 4.9756  -2.242020      10.04669  
1 1 1 4   42  13 o 400.556 6.8183  87169.99   2958.06  83152.36   5919.30  88507.30   3415.07  389.191 14.042  403.413 7.8159  -14.22226      16.07091  
1 1 1 4   42  14 o 144.105 3.7412  11257.95   583.932  10902.14   1018.90  11431.96   712.558  141.649 6.6412  145.179 4.5315  -3.529938      8.039965  
1 1 1 4   42  15 o 357.124 7.0948  69355.91   2744.28  72918.85   4756.96  67578.64   3359.72  364.763 12.041  352.124 8.8092  12.63959       14.91909  
1 1 1 4   42  16 o 217.554 4.1248  25672.53   971.944  25882.59   1947.62  25602.87   1121.59  217.919 8.2516  217.200 4.7676  0.7189026      9.529957  
1 1 1 4   42  17 o 29.250  5.3149  479.136    162.182  625.018    325.544  430.976    187.046  33.256  8.8734  27.602  6.3838  5.654379       10.93112  
1 1 1 4   42  18 o 32.362  5.1629  583.204    174.887  322.019    312.177  702.668    211.127  25.790  9.0420  35.509  5.6811  -9.718643      10.67862  
1 1 1 4   42  19 o 227.034 4.2574  27998.79   1046.91  26086.23   2086.10  28642.63   1210.36  218.055 8.8328  229.523 4.8688  -11.46776      10.08582  
1 1 1 4   42  20 o 14.530  6.0309  27.538     156.001  139.759    265.422  -31.6868   192.820  20.699  8.1193  14.832  6.4457  5.866803       10.36680  
1 1 1 4   42  21 o 92.357  2.7677  4630.03    276.857  3955.38    564.664  4843.54    317.660  84.755  6.1940  94.435  3.1057  -9.679306      6.928997  
1 1 1 4   42  22 o 44.287  1.9583  1063.80    93.936   828.513    474.431  1073.40    95.833   37.772  10.956  44.486  1.9890  -6.713978      11.13513  
1 1 1 4   42  23 o 55.963  2.4477  1700.96    148.362  2139.70    511.448  1660.65    155.028  61.493  7.8588  55.286  2.5889  6.206879       8.274216  
1 1 1 4   42  24 o 30.477  2.1521  506.885    70.582   875.317    438.136  497.068    71.516   38.337  10.322  30.173  2.2036  8.163729       10.55483  
1 1 1 4   42  25 o 91.958  3.2101  4613.08    319.723  5086.94    640.350  4455.72    369.011  95.422  6.2300  90.250  3.7750  5.172668       7.284478  
1 1 1 4   42  26 o 21.754  7.0860  261.122    191.584  -41.1237   407.989  346.622    216.997  21.165  9.2829  24.572  7.4817  -3.406759      11.92259  
1 1 1 4   42  27 o 65.028  2.3351  2303.24    164.467  1988.16    503.100  2340.94    174.029  58.099  8.2247  65.539  2.4516  -7.439644      8.582325  
1 1 1 4   42  28 o 28.067  6.8467  468.323    206.281  409.958    433.135  485.444    234.594  27.877  10.515  28.437  7.5065  -0.5601292     12.91952  
1 1 1 4   42  29 o 26.608  7.9725  432.443    247.857  769.261    439.101  274.943    300.266  34.180  10.684  23.186  8.7527  10.99479       13.81137  
1 1 1 4   42  30 f 11.168  2.4626  71.118     28.986   71.252     29.124   57.027     298.422  11.178  2.4713  18.690  8.0704  -7.512250      8.440286  
1 1 1 4   42  31 o 79.033  3.5767  3504.42    306.172  0.0000     0.0000   3504.42    306.172  ?       ?       79.033  3.5767  0.000000       3.576749  
1 1 1 4   42  32 o 48.316  8.2036  1565.13    413.952  0.0000     0.0000   1565.13    413.952  ?       ?       48.316  8.2036  0.000000       8.203648  
1 1 1 4   42  33 o 30.995  10.199  780.046    396.540  0.0000     0.0000   780.046    396.540  ?       ?       30.995  10.199  0.000000       10.19927  
1 1 1 4   43  0  o 176.655 5.0250  16911.68   961.463  18152.14   1361.37  15677.22   1358.07  182.964 6.8697  170.018 7.3749  12.94633       10.07879  
1 1 1 4   43  1  f 419.201 10.054  95430.70   4564.80  90251.11   6455.50  100610.60  6455.71  407.034 14.643  429.891 13.865  -22.85660      20.16557  
1 1 1 4   43  2  o 263.501 4.5868  37623.80   1309.08  37892.00   1851.76  37355.84   1850.87  264.361 6.4672  262.482 6.5104  1.879059       9.176612  
1 1 1 4   43  3  o 272.975 4.8027  40381.46   1419.95  41105.63   2007.69  39656.68   2008.55  275.321 6.7327  270.418 6.8577  4.902802       9.610221  
1 1 1 4   43  4  o 639.382 10.593  222176.00  7336.03  222573.30  10375.03 221778.91  10374.40 638.823 14.995  637.674 15.021  1.148987       21.22421  
1 1 1 4   43  5  o 227.786 4.2215  28116.26   1041.51  28819.75   1474.08  27414.97   1471.77  230.550 5.9032  224.855 6.0432  5.695587       8.447927  
1 1 1 4   43  6  o 273.136 4.8924  40437.82   1447.33  40468.22   2047.67  40407.47   2045.99  273.115 6.9222  272.910 6.9217  0.2050476      9.789105  
1 1 1 4   43  7  o 468.094 7.8391  118963.60  3974.37  123207.20  5621.50  114722.70  5619.71  475.802 10.908  459.044 11.303  16.75812       15.70814  
1 1 1 4   43  8  o 140.526 3.1861  10699.27   484.934  11073.86   669.314  10285.35   703.568  142.937 4.3233  137.743 4.7159  5.193985       6.397734  
1 1 1 4   43  9  o 405.710 7.9691  89420.80   3501.82  88351.79   4289.31  91557.41   6063.99  402.947 9.8281  409.277 13.680  -6.329834      16.84401  
1 1 1 4   43  10 o 416.228 8.2128  94166.48   3702.49  88806.26   6415.33  96843.55   4533.75  402.583 14.713  421.748 9.9251  -19.16476      17.74745  
1 1 1 4   43  11 o 319.361 5.9802  55352.59   2068.55  56084.53   3853.78  55056.36   2451.67  320.624 11.097  318.363 7.1100  2.260376       13.17967  
1 1 1 4   43  12 o 181.130 3.6416  17782.81   714.410  17552.92   1437.22  17858.25   823.332  179.712 7.3837  181.488 4.1885  -1.776337      8.488976  
1 1 1 4   43  13 o 107.509 2.8942  6263.09    337.015  6212.40    703.048  6278.21    384.012  106.791 6.1036  107.629 3.2942  -0.8384018     6.935806  
1 1 1 4   43  14 o 105.385 3.4562  6020.06    394.506  6200.56    709.503  5939.27    474.644  106.670 6.1674  104.653 4.1874  2.016373       7.454579  
1 1 1 4   43  15 o 111.504 3.3707  6739.65    407.080  6981.37    726.546  6629.05    491.468  113.215 5.9458  110.559 4.1042  2.655960       7.224787  
1 1 1 4   43  16 o 129.356 3.1265  9070.55    438.046  8905.19    878.804  9125.22    505.293  127.980 6.3398  129.725 3.5962  -1.745010      7.288796  
1 1 1 4   43  17 o 263.862 4.7729  37801.51   1364.05  37749.18   2729.12  37818.94   1574.87  262.659 9.5931  263.811 5.5116  -1.151459      11.06374  
1 1 1 4   43  18 o 321.995 5.6076  56392.82   1955.66  50528.62   3906.59  58353.88   2259.12  302.496 11.924  327.340 6.3719  -24.84360      13.51938  
1 1 1 4   43  19 o 163.177 3.4434  14450.30   608.576  12827.31   1209.47  15000.53   704.220  153.179 7.2900  166.204 3.9120  -13.02487      8.273279  
1 1 1 4   43  20 o 219.282 4.4072  26161.63   1046.74  24662.18   1962.68  26757.64   1237.41  211.548 8.5659  221.577 5.1561  -10.02892      9.997955  
1 1 1 4   43  21 o 104.008 3.0482  5875.80    343.384  6449.44    741.914  5719.42    387.373  108.251 6.3556  102.568 3.4870  5.683266       7.249354  
1 1 1 4   43  22 o 35.817  5.5672  719.551    208.956  472.580    464.134  782.334    234.013  30.749  11.001  37.285  5.9981  -6.536253      12.52969  
1 1 1 4   43  23 o 52.649  4.1148  1522.77    232.781  1227.52    501.035  1604.05    262.874  45.571  10.383  53.963  4.5398  -8.391262      11.33173  
1 1 1 4   43  24 o 28.394  7.1216  467.403    218.627  416.223    453.803  482.872    249.488  29.250  10.816  28.833  7.8001  0.4165726      13.33528  
1 1 1 4   43  25 o 15.567  6.5803  18.649     190.937  123.410    416.793  -9.1758    214.803  23.719  9.8524  15.918  6.8603  7.801085       12.00558  
1 1 1 4   43  26 o 41.636  4.9476  972.006    218.745  889.528    442.716  998.645    251.604  38.037  10.433  41.990  5.6779  -3.952873      11.87767  
1 1 1 4   43  27 o 14.711  6.3881  -15.6194   189.106  315.169    404.841  -107.9389  213.873  26.081  10.084  14.155  6.4250  11.92608       11.95658  
1 1 1 4   43  28 o 28.955  1.3748  455.116    43.115   -56.3859   423.928  460.462    43.339   20.987  9.3220  29.124  1.3739  -8.136717      9.422716  
1 1 1 4   43  29 o 42.941  5.5280  1064.64    251.136  455.742    467.853  1311.09    297.653  28.286  10.866  47.515  5.9116  -19.22893      12.36996  
1 1 1 4   43  30 o 4.5643  2.2097  -54.7492   33.583   0.0000     0.0000   -54.7492   33.583   ?       ?       4.5643  2.2097  0.000000       2.209711  
1 1 1 4   43  31 o 25.760  9.9930  432.434    398.634  0.0000     0.0000   432.434    398.634  ?       ?       25.760  9.9930  0.000000       9.992977  
1 1 1 4   43  32 o 33.061  10.450  858.214    418.936  0.0000     0.0000   858.214    418.936  ?       ?       33.061  10.450  0.000000       10.45045  
1 1 1 4   43  33 o 15.428  7.5071  -425.9070  400.691  0.0000     0.0000   -425.9070  400.691  ?       ?       15.428  7.5071  0.000000       7.507126  
1 1 1 4   44  0  o 441.469 10.515  105886.90  5027.79  110560.20  7111.61  101216.90  7109.12  450.438 14.577  430.862 15.234  19.57574       21.08438  
1 1 1 4   44  1  o 397.977 6.8002  85891.84   2931.23  81692.30   4145.02  90092.88   4145.75  387.833 9.8676  407.341 9.3967  -19.50754      13.62599  
1 1 1 4   44  2  o 471.767 7.8977  120760.00  4035.53  120967.90  5707.60  120552.10  5706.59  471.724 11.171  470.910 11.188  0.8141479      15.81055  
1 1 1 4   44  3  o 276.779 5.3024  41523.87   1589.56  41846.32   2435.40  41284.55   2098.08  277.685 8.0974  275.886 7.0214  1.798248       10.71765  
1 1 1 4   44  4  o 199.475 3.8305  21559.28   827.593  22252.77   1169.84  20864.49   1170.94  202.610 5.3309  196.182 5.5107  6.428406       7.667201  
1 1 1 4   44  5  o 255.337 4.5750  35334.96   1265.25  35888.76   1790.42  34782.52   1788.24  257.234 6.4262  253.232 6.5198  4.001190       9.154504  
1 1 1 4   44  6  o 225.455 4.2960  27547.61   1049.05  26464.78   1484.72  28627.10   1482.43  220.890 6.2058  229.751 5.9573  -8.860809      8.602383  
1 1 1 4   44  7  o 451.629 7.6127  110741.70  3723.84  113505.60  5267.52  107980.40  5265.09  456.673 10.650  445.363 10.915  11.30942       15.24954  
1 1 1 4   44  8  o 172.283 3.5199  16083.48   656.805  15411.19   932.298  16745.96   925.464  168.589 5.1057  175.748 4.8618  -7.159348      7.050217  
1 1 1 4   44  9  o 285.979 5.0081  44347.66   1551.24  44873.21   2195.78  43824.02   2191.78  287.486 7.0518  284.098 7.1229  3.388123       10.02319  
1 1 1 4   44  10 o 243.161 4.4672  32057.03   1176.53  32013.58   1666.21  32100.24   1661.53  242.857 6.3345  243.187 6.3081  -0.3308105     8.939646  
1 1 1 4   44  11 o 378.368 6.4799  77731.19   2655.56  76839.58   5317.80  78027.40   3065.09  374.697 13.103  378.928 7.4682  -4.230286      15.08214  
1 1 1 4   44  12 o 130.622 3.0483  9245.79    431.260  9588.07    871.121  9134.66    496.353  132.896 6.0520  129.821 3.5300  3.075211       7.006225  
1 1 1 4   44  13 o 74.296  2.4535  2990.58    197.433  2843.83    460.138  3023.69    218.576  72.130  5.9427  74.702  2.7015  -2.572189      6.527923  
1 1 1 4   44  14 o 170.970 4.0744  15850.54   754.487  14764.15   1306.71  16393.86   924.089  164.768 7.3221  173.824 4.9083  -9.056442      8.815043  
1 1 1 4   44  15 o 102.344 3.4127  5678.21    378.296  5818.06    661.659  5610.29    461.092  103.320 5.9376  101.703 4.1858  1.616081       7.264726  
1 1 1 4   44  16 o 171.487 3.5594  15946.13   661.120  15226.98   1327.73  16183.22   762.348  167.230 7.3303  172.723 4.0751  -5.492645      8.386900  
1 1 1 4   44  17 o 64.581  2.5492  2260.42    178.308  2228.12    459.399  2266.14    193.476  63.615  6.7715  64.659  2.7627  -1.043114      7.313403  
1 1 1 4   44  18 o 196.858 3.8680  21032.92   824.724  22103.21   1648.83  20675.81   952.427  201.182 7.5669  195.103 4.5071  6.078934       8.807478  
1 1 1 4   44  19 o 26.492  5.9144  397.608    165.408  238.842    292.906  471.944    200.425  23.511  8.6905  28.835  6.5646  -5.324501      10.89122  
1 1 1 4   44  20 o 36.860  4.4788  750.251    175.133  134.581    311.152  1035.74    211.882  21.810  8.7151  43.380  4.5788  -21.56994      9.844737  
1 1 1 4   44  21 o 60.200  3.4242  1976.71    222.346  2056.72    527.761  1959.44    245.166  60.405  8.2849  59.886  3.7994  0.5190392      9.114573  
1 1 1 4   44  22 o 73.521  2.7059  2936.51    215.476  3350.57    574.000  2868.58    232.479  77.579  6.9034  72.644  2.9547  4.934746       7.509101  
1 1 1 4   44  23 o 128.113 3.2712  8937.54    453.903  9451.94    926.450  8775.06    520.676  130.507 6.5753  126.823 3.7905  3.683647       7.589637  
1 1 1 4   44  24 o 69.543  3.6727  2648.68    275.652  2927.41    562.927  2560.76    316.150  71.972  7.3234  68.234  4.2998  3.738075       8.492372  
1 1 1 4   44  25 o 32.943  6.0584  621.588    208.205  273.590    468.944  707.030    232.363  26.942  10.721  35.107  6.3444  -8.165434      12.45715  
1 1 1 4   44  26 o 14.849  6.4642  -22.2115   194.578  -565.4863  424.710  122.113    218.903  16.674  8.0188  18.623  7.3516  -1.948786      10.87871  
1 1 1 4   44  27 o 63.007  2.7038  2167.60    184.513  2664.74    543.476  2102.83    196.164  67.673  7.5431  62.016  2.9204  5.656898       8.088688  
1 1 1 4   44  28 o 71.305  3.6107  2807.90    277.947  3380.69    558.208  2619.07    320.504  76.444  6.8133  68.565  4.3381  7.878563       8.077195  
1 1 1 4   44  29 o 64.450  2.8042  2281.63    195.751  2021.88    535.643  2321.67    210.297  56.653  9.0328  64.951  2.9893  -8.298573      9.514578  
1 1 1 4   44  30 o 19.964  8.2914  147.747    295.125  0.0000     0.0000   147.747    295.125  ?       ?       19.964  8.2914  0.000000       8.291427  
1 1 1 4   44  31 o 39.552  9.1339  1080.25    383.388  0.0000     0.0000   1080.25    383.388  ?       ?       39.552  9.1339  0.000000       9.133920  
1 1 1 4   44  32 o 27.038  9.9035  544.722    379.027  0.0000     0.0000   544.722    379.027  ?       ?       27.038  9.9035  0.000000       9.903543  
1 1 1 4   44  33 o 56.756  7.2378  2116.68    434.802  0.0000     0.0000   2116.68    434.802  ?       ?       56.756  7.2378  0.000000       7.237816  
1 1 1 4   45  0  o 407.865 7.5086  90250.33   3316.98  92970.22   5132.72  88299.84   4346.54  413.474 11.461  403.161 9.9539  10.31360       15.18023  
1 1 1 4   45  1  o 182.076 3.6206  17961.00   714.002  17840.08   1010.86  18081.38   1008.65  181.423 5.1443  182.648 5.0987  -1.224182      7.242939  
1 1 1 4   45  2  o 289.341 4.9385  45374.45   1547.66  46086.30   2189.36  44663.42   2188.07  291.487 6.9347  286.945 7.0403  4.542023       9.882124  
1 1 1 4   45  3  o 347.331 5.9498  65412.81   2238.30  65828.46   3165.90  64997.40   3164.96  348.221 8.3941  346.010 8.4452  2.210236       11.90722  
1 1 1 4   45  4  o 103.812 2.7656  5837.95    310.964  6033.61    441.468  5645.26    438.090  105.523 3.8626  102.070 3.9628  3.453964       5.533819  
1 1 1 4   45  5  o 84.049  2.5157  3826.57    229.013  3797.44    306.718  3863.28    344.271  83.719  3.3825  84.438  3.7644  -0.7181320     5.060850  
1 1 1 4   45  6  f 219.346 4.0329  26073.65   958.114  26843.81   1356.82  25307.65   1353.15  222.488 5.6305  216.020 5.7834  6.467911       8.071532  
1 1 1 4   45  7  o 507.530 8.4647  139958.09  4653.08  143708.50  6581.20  136209.50  6579.71  513.477 11.834  499.812 12.154  13.66492       16.96347  
1 1 1 4   45  8  o 72.431  2.7509  2842.22    215.810  2857.20    317.250  2829.31    294.429  72.493  4.0568  72.156  3.7805  0.3368301      5.545260  
1 1 1 4   45  9  o 42.876  1.9680  995.792    91.392   1104.94    225.917  974.435    99.934   44.897  4.7163  42.357  2.1858  2.539879       5.198215  
1 1 1 4   45  10 o 110.156 2.8959  6574.63    345.509  6179.81    493.784  6953.37    483.623  106.766 4.2701  113.260 3.9424  -6.494308      5.811684  
1 1 1 4   45  11 o 89.118  2.7396  4303.05    264.440  4086.81    548.948  4368.40    301.760  86.575  5.8892  89.786  3.1030  -3.210594      6.656691  
1 1 1 4   45  12 o 73.194  2.4213  2902.49    191.953  2754.08    455.854  2934.47    211.630  70.975  5.9858  73.594  2.6550  -2.618637      6.548210  
1 1 1 4   45  13 o 87.043  2.8178  4105.51    265.650  3414.31    541.462  4324.63    304.862  79.027  6.3803  89.329  3.1509  -10.30193      7.115906  
1 1 1 4   45  14 o 116.285 3.4444  7330.06    433.818  6869.05    753.084  7559.02    530.723  112.277 6.2170  118.062 4.1504  -5.785110      7.475071  
1 1 1 4   45  15 o 19.901  1.5648  215.863    33.458   210.487    330.273  215.919    33.631   23.871  9.1392  19.903  1.5729  3.968121       9.273522  
1 1 1 4   45  16 o 274.702 4.9416  40969.74   1470.29  39997.95   2944.17  41292.62   1697.05  270.355 10.054  275.670 5.6837  -5.315552      11.54977  
1 1 1 4   45  17 o 255.792 4.6591  35529.91   1290.80  36290.59   2585.27  35277.30   1489.79  257.486 9.2701  254.763 5.3990  2.723022       10.72770  
1 1 1 4   45  18 o 199.518 3.8955  21609.20   841.812  20564.00   1685.71  21956.45   971.639  193.888 8.0272  201.041 4.4622  -7.152924      9.184066  
1 1 1 4   45  19 o 113.617 3.0399  7004.23    374.090  6643.24    737.228  7129.41    434.134  110.147 6.2048  114.593 3.4978  -4.445465      7.122833  
1 1 1 4   45  20 o 123.894 3.1116  8334.73    417.550  8105.12    807.029  8418.67    487.935  121.559 6.1496  124.458 3.6197  -2.899437      7.135786  
1 1 1 4   45  21 o 141.390 3.3337  10869.63   510.517  10061.13   1045.59  11122.70   584.986  134.870 7.1836  142.945 3.7784  -8.074371      8.116669  
1 1 1 4   45  22 o 42.691  4.6983  1008.39    213.647  817.179    474.324  1057.05    239.296  37.430  10.983  43.627  5.1644  -6.197590      12.13666  
1 1 1 4   45  23 o 35.937  5.5575  726.782    209.338  687.657    462.141  736.883    234.810  34.588  10.981  36.027  6.2438  -1.438293      12.63176  
1 1 1 4   45  24 o 72.203  3.4928  2845.62    273.143  2595.65    574.308  2918.70    310.510  67.422  8.0220  72.942  3.9450  -5.519867      8.939589  
1 1 1 4   45  25 o 43.130  2.3737  1014.90    110.458  1748.34    495.536  976.555    113.309  54.681  8.6551  42.290  2.4846  12.39116       9.004670  
1 1 1 4   45  26 o 17.500  6.9776  98.822     199.021  -698.0442  459.670  282.664    220.788  16.731  8.1179  22.712  7.6152  -5.980587      11.13072  
1 1 1 4   45  27 o 32.601  6.4073  621.115    218.177  634.463    486.694  617.757    244.076  32.481  11.295  32.262  7.1709  0.2194443      13.37942  
1 1 1 4   45  28 o 3.8016  1.9248  -138.8223  39.479   328.454    452.758  -142.4024  39.630   26.590  10.549  3.7754  1.9134  22.81432       10.72070  
1 1 1 4   45  29 o 20.223  7.7708  195.914    239.314  463.293    457.839  95.397     280.716  27.963  10.747  19.146  8.0297  8.817131       13.41574  
1 1 1 4   45  30 o 23.180  9.2147  289.943    346.150  0.0000     0.0000   289.943    346.150  ?       ?       23.180  9.2147  0.000000       9.214725  
1 1 1 4   45  31 o 28.960  10.246  614.500    401.527  0.0000     0.0000   614.500    401.527  ?       ?       28.960  10.246  0.000000       10.24557  
1 1 1 4   45  32 o 61.992  7.0757  2462.41    466.578  0.0000     0.0000   2462.41    466.578  ?       ?       61.992  7.0757  0.000000       7.075667  
1 1 1 4   45  33 o 29.479  10.495  723.333    421.931  0.0000     0.0000   723.333    421.931  ?       ?       29.479  10.495  0.000000       10.49479  
1 1 1 4   46  0  o 449.056 7.5583  109419.80  3676.17  108364.00  5199.60  110475.00  5198.17  446.435 10.753  450.780 10.647  -4.345123      15.13227  
1 1 1 4   46  1  o 218.371 4.3453  25841.45   1027.75  25597.99   1556.22  26029.77   1368.69  217.246 6.6138  219.110 5.7673  -1.864624      8.775171  
1 1 1 4   46  2  o 573.371 10.310  178718.59  6402.51  177887.91  9943.59  179307.00  8367.94  570.477 16.093  573.542 13.470  -3.064209      20.98656  
1 1 1 4   46  3  o 186.921 3.6873  18931.25   746.516  18406.74   1056.00  19455.24   1055.47  184.264 5.2912  189.445 5.1439  -5.180878      7.379453  
1 1 1 4   46  4  o 93.924  2.7239  4778.83    277.103  4834.36    394.504  4724.75    389.312  94.454  3.8562  93.377  3.8493  1.076820       5.448648  
1 1 1 4   46  5  o 132.197 3.0331  9467.94    434.297  9571.17    616.674  9366.37    611.733  132.890 4.2844  131.460 4.2963  1.429703       6.067503  
1 1 1 4   46  6  o 346.275 5.9648  65039.88   2237.10  64828.42   3164.61  65251.11   3162.87  345.431 8.4584  346.560 8.4262  -1.128601      11.93926  
1 1 1 4   46  7  o 247.803 4.4181  33286.01   1185.80  34053.59   1679.15  32522.40   1674.81  250.531 6.1881  244.824 6.3160  5.706619       8.842179  
1 1 1 4   46  8  o 339.853 5.8685  62660.66   2160.17  64040.89   3056.47  61283.20   3053.41  343.283 8.2205  335.785 8.3956  7.497620       11.75002  
1 1 1 4   46  9  o 92.526  2.8112  4638.37    281.722  4044.96    406.274  5187.99    390.996  86.268  4.3623  97.839  3.6897  -11.57122      5.713424  
1 1 1 4   46  10 o 176.785 3.5793  16938.20   685.360  16610.39   972.626  17261.48   965.898  174.994 5.1316  178.398 4.9989  -3.404007      7.163933  
1 1 1 4   46  11 o 164.122 3.9181  14602.00   696.492  15285.39   1214.76  14267.33   850.100  167.758 6.6856  162.188 4.8393  5.570328       8.253201  
1 1 1 4   46  12 o 148.837 3.1994  12005.27   515.754  13457.36   1041.91  11533.98   593.579  157.431 6.1104  145.866 3.7571  11.56490       7.173087  
1 1 1 4   46  13 o 277.335 5.2754  41741.34   1584.65  40804.36   2962.07  42117.04   1875.63  273.459 10.001  278.466 6.2188  -5.007294      11.77659  
1 1 1 4   46  14 o 292.094 7.3442  46413.91   2323.49  44268.96   3285.60  48559.66   3286.22  284.556 10.660  298.153 10.176  -13.59625      14.73777  
1 1 1 4   46  15 o 246.442 4.5067  32954.55   1202.93  33999.61   2411.61  32608.41   1387.93  249.612 8.9202  245.062 5.2290  4.549957       10.33981  
1 1 1 4   46  16 o 117.358 3.0789  7466.49    391.369  7077.38    784.993  7595.21    451.482  113.888 6.3896  118.347 3.5222  -4.458702      7.296109  
1 1 1 4   46  17 o 326.618 6.0746  58054.04   2148.97  57472.30   4002.15  58289.72   2547.35  322.988 11.440  326.961 7.1932  -3.973602      13.51378  
1 1 1 4   46  18 o 221.949 4.2043  26756.65   1010.69  26614.54   2024.17  26803.85   1166.51  220.360 8.4809  222.036 4.8506  -1.675339      9.770086  
1 1 1 4   46  19 o 257.743 4.7037  36153.08   1313.10  36393.61   2628.21  36073.07   1515.85  256.695 9.4530  257.245 5.4405  -0.5491333     10.90683  
1 1 1 4   46  20 o 125.883 3.1099  8606.15    424.020  8017.35    826.623  8816.39    493.956  120.801 6.3399  127.353 3.5810  -6.551483      7.281399  
1 1 1 4   46  21 o 76.613  3.2863  3191.73    272.700  3599.68    585.754  3078.84    308.129  80.559  6.7761  75.100  3.8005  5.459404       7.769148  
1 1 1 4   46  22 o 78.530  3.3186  3356.69    282.270  3300.65    599.001  3372.69    320.031  76.814  7.2869  78.661  3.7563  -1.846634      8.198140  
1 1 1 4   46  23 o 91.800  3.2192  4590.23    320.083  4262.90    667.190  4688.10    364.806  87.226  7.1243  92.700  3.6334  -5.473640      7.997290  
1 1 1 4   46  24 o 52.171  4.1860  1500.52    234.548  1847.29    507.530  1406.35    264.485  56.494  8.5628  50.327  4.9149  6.167858       9.873071  
1 1 1 4   46  25 o 43.484  4.6315  1052.99    214.780  825.390    489.983  1107.12    238.961  36.831  11.249  44.488  5.0486  -7.657410      12.32985  
1 1 1 4   46  26 o 91.009  3.2162  4531.19    317.031  5195.16    678.326  4345.62    358.608  95.727  6.5824  88.975  3.7212  6.752052       7.561422  
1 1 1 4   46  27 o 30.919  1.5586  520.513    52.027   433.609    481.068  521.541    52.333   28.947  11.042  30.949  1.5663  -2.002337      11.15289  
1 1 1 4   46  28 o 17.726  7.1142  106.081    208.331  158.663    473.762  93.475     231.962  24.430  10.348  18.120  7.4203  6.309574       12.73351  
1 1 1 4   46  29 o 30.839  1.5415  517.540    51.489   508.216    73.956   526.310    71.729   30.394  2.2627  30.956  2.1528  -0.5616093     3.123200  
1 1 1 4   46  30 o 17.129  7.9934  -196.4743  365.021  0.0000     0.0000   -196.4743  365.021  ?       ?       17.129  7.9934  0.000000       7.993429  
1 1 1 4   46  31 o 22.624  9.1893  279.123    352.112  0.0000     0.0000   279.123    352.112  ?       ?       22.624  9.1893  0.000000       9.189341  
1 1 1 4   46  32 o 30.007  9.8907  693.730    372.850  0.0000     0.0000   693.730    372.850  ?       ?       30.007  9.8907  0.000000       9.890688  
1 1 1 4   46  33 o 29.916  10.155  726.031    392.633  0.0000     0.0000   726.031    392.633  ?       ?       29.916  10.155  0.000000       10.15459  
1 1 1 4   47  0  o 598.443 10.013  194672.59  6490.43  198165.70  9179.71  191180.70  9178.00  602.698 14.062  591.902 14.316  10.79614       20.06750  
1 1 1 4   47  1  o 658.313 10.855  235740.09  7739.77  238272.80  10946.43 233208.00  10944.95 660.398 15.304  653.279 15.468  7.118469       21.75946  
1 1 1 4   47  2  o 251.810 4.5443  34366.40   1239.40  34901.18   1753.33  33832.31   1752.21  253.663 6.3817  249.742 6.4778  3.920441       9.093273  
1 1 1 4   47  3  o 133.590 3.1683  9668.67    458.428  10053.88   662.240  9314.25    635.234  136.198 4.4893  131.093 4.4739  5.105164       6.337914  
1 1 1 4   47  4  o 285.785 5.0237  44277.58   1555.00  45288.94   2199.69  43267.30   2198.51  288.882 7.0302  282.348 7.1891  6.534821       10.05522  
1 1 1 4   47  5  o 46.912  2.9167  1196.87    147.464  1066.57    217.474  1307.78    200.634  44.117  4.6197  48.977  3.8122  -4.860279      5.989551  
1 1 1 4   47  6  f 301.997 5.2210  49454.20   1707.75  50528.89   2416.48  48381.91   2413.78  305.073 7.3132  298.505 7.4658  6.567474       10.45091  
1 1 1 4   47  7  o 531.796 8.7910  153747.20  5063.54  157751.30  7161.72  149744.80  7160.15  537.685 12.298  523.758 12.622  13.92780       17.62214  
1 1 1 4   47  8  o 343.327 5.9367  63957.01   2207.63  62575.94   3123.37  65335.77   3120.75  339.260 8.5000  346.690 8.3109  -7.430450      11.88787  
1 1 1 4   47  9  o 228.648 4.2396  28342.00   1049.94  27387.95   1487.06  29290.38   1482.63  224.639 6.1118  232.328 5.8920  -7.688904      8.489399  
1 1 1 4   47  10 o 115.071 2.9423  7174.72    366.715  6939.01    523.437  7401.93    513.919  113.130 4.2718  116.850 4.0607  -3.719162      5.893867  
1 1 1 4   47  11 o 389.109 7.6900  82319.66   3240.92  81718.00   5616.81  82619.95   3968.10  386.124 13.431  389.437 9.4075  -3.312866      16.39759  
1 1 1 4   47  12 o 449.339 7.5687  109793.80  3683.54  110759.90  7371.58  109472.30  4252.52  448.535 15.174  448.368 8.7567  0.1664734      17.51925  
1 1 1 4   47  13 o 318.711 6.4501  55187.60   2226.56  53399.66   3857.72  56080.74   2726.55  312.436 11.400  321.032 7.8414  -8.596313      13.83634  
1 1 1 4   47  14 o 206.499 4.9427  23142.01   1105.48  23491.86   1774.03  22919.91   1413.47  207.712 7.8855  205.363 6.3547  2.349503       10.12736  
1 1 1 4   47  15 o 238.814 4.5853  30949.65   1186.03  29943.44   2227.53  31347.77   1401.15  234.256 8.7794  240.251 5.3846  -5.994629      10.29906  
1 1 1 4   47  16 o 243.587 4.6765  32214.22   1233.80  31528.29   2316.28  32485.93   1457.83  240.184 8.9038  244.493 5.5052  -4.308716      10.46829  
1 1 1 4   47  17 o 115.649 3.0122  7252.41    377.308  7265.44    763.590  7248.20    433.990  115.361 6.1333  115.592 3.4664  -0.2306442     7.045084  
1 1 1 4   47  18 o 140.631 3.2112  10730.25   489.123  10405.73   987.815  10835.66   562.984  138.073 6.6054  141.279 3.6792  -3.205582      7.560888  
1 1 1 4   47  19 o 65.459  3.0808  2325.69    218.426  2217.18    446.465  2359.83    250.445  63.325  6.6067  65.821  3.5258  -2.496048      7.488653  
1 1 1 4   47  20 o 68.144  2.6229  2520.14    193.587  2532.13    540.255  2518.37    207.355  67.387  7.5309  68.109  2.8109  -0.7220535     8.038349  
1 1 1 4   47  21 o 59.670  3.6733  1945.76    236.249  1752.05    519.342  1996.31    265.286  55.364  8.9675  60.380  4.0804  -5.016441      9.852238  
1 1 1 4   47  22 o 45.661  4.4298  1150.04    216.325  912.299    482.992  1209.69    241.950  39.316  10.941  46.760  4.8478  -7.443604      11.96716  
1 1 1 4   47  23 o 34.514  5.7453  674.135    207.223  418.460    464.477  737.672    231.544  29.492  10.935  36.037  6.1530  -6.545441      12.54747  
1 1 1 4   47  24 o 88.784  3.2613  4300.28    313.619  5509.09    656.068  3942.24    357.057  99.405  6.1233  84.878  3.8839  14.52706       7.251197  
1 1 1 4   47  25 o 80.153  2.7164  3500.72    235.819  3366.89    611.882  3524.07    255.561  76.770  7.4527  80.378  2.9355  -3.607895      8.009964  
1 1 1 4   47  26 o 36.371  5.4204  752.233    207.008  307.800    485.309  851.079    228.874  27.319  10.895  38.663  5.6309  -11.34401      12.26394  
1 1 1 4   47  27 o 76.150  2.7157  3167.87    223.986  3297.25    319.651  3043.05    313.955  77.363  3.8148  74.188  3.9211  3.174889       5.470611  
1 1 1 4   47  28 o 66.073  2.6615  2389.57    190.467  2048.48    575.951  2431.45    201.822  57.131  9.6515  66.612  2.7973  -9.480862      10.04869  
1 1 1 4   47  29 o 45.205  5.4374  1190.98    260.887  1212.28    529.624  1184.16    299.780  40.910  11.483  44.489  6.4060  -3.578106      13.14901  
1 1 1 4   47  30 o 29.553  9.6280  606.985    353.693  0.0000     0.0000   606.985    353.693  ?       ?       29.553  9.6280  0.000000       9.628032  
1 1 1 4   47  31 o 41.637  9.4194  1222.69    414.856  0.0000     0.0000   1222.69    414.856  ?       ?       41.637  9.4194  0.000000       9.419352  
1 1 1 4   47  32 o 18.432  8.1179  71.137     314.876  0.0000     0.0000   71.137     314.876  ?       ?       18.432  8.1179  0.000000       8.117865  
1 1 1 4   47  33 o 16.503  7.8694  -248.2593  390.531  0.0000     0.0000   -248.2593  390.531  ?       ?       16.503  7.8694  0.000000       7.869427  
1 1 1 4   48  0  o 263.590 5.0299  37664.93   1436.03  36848.12   2196.48  38274.69   1897.79  260.532 7.7839  265.618 6.5966  -5.086090      10.20316  
1 1 1 4   48  1  o 135.901 3.1838  10006.04   468.644  10361.18   681.776  9687.92    645.256  138.262 4.5527  133.697 4.4560  4.565155       6.370458  
1 1 1 4   48  2  o 317.221 5.4641  54563.47   1877.36  56160.74   2655.78  52968.13   2654.18  321.642 7.6234  312.343 7.8456  9.298309       10.93941  
1 1 1 4   48  3  o 179.524 3.5556  17463.16   691.368  17813.74   978.444  17113.60   977.040  181.270 4.9836  177.669 5.0773  3.601563       7.114405  
1 1 1 4   48  4  o 135.020 3.0650  9876.78    448.230  9756.15    634.264  9997.12    633.522  134.164 4.3648  135.812 4.3068  -1.648315      6.131884  
1 1 1 4   48  5  o 219.014 4.1561  25997.56   985.886  25393.78   1394.59  26600.75   1393.92  216.364 5.9510  221.455 5.8114  -5.090652      8.317881  
1 1 1 4   48  6  o 295.804 5.5633  47457.89   1782.42  45759.41   2737.00  48708.69   2348.75  290.143 8.7095  299.519 7.2401  -9.375916      11.32579  
1 1 1 4   48  7  o 24.289  4.5683  330.346    115.769  326.030    171.063  333.992    157.252  24.095  6.4337  24.331  6.0039  -0.2359772     8.799967  
1 1 1 4   48  8  f 211.977 4.0435  24356.73   928.367  24111.64   1315.07  24600.22   1310.76  210.807 5.7596  212.938 5.6833  -2.130356      8.091532  
1 1 1 4   48  9  o 104.783 2.8466  5948.83    323.067  5943.67    466.666  5953.58    447.696  104.709 4.1148  104.801 3.9441  -0.9162903E-01 5.699792  
1 1 1 4   48  10 o 251.308 4.5988  34248.74   1251.76  33381.96   1772.74  35110.70   1767.80  247.929 6.6016  254.287 6.4186  -6.358139      9.207534  
1 1 1 4   48  11 o 192.376 4.3760  20068.36   911.801  18713.62   1582.13  20742.09   1115.72  185.496 7.8748  195.520 5.2686  -10.02446      9.474717  
1 1 1 4   48  12 o 271.857 4.8665  40094.09   1432.93  37692.31   2870.33  40891.36   1653.75  262.835 10.083  274.474 5.5629  -11.63831      11.51551  
1 1 1 4   48  13 o 201.838 4.5214  22098.40   988.421  22174.35   1713.56  22060.54   1210.01  201.851 7.8379  201.581 5.5420  0.2698822      9.599288  
1 1 1 4   48  14 o 142.826 3.7312  11061.26   577.203  11250.53   1000.51  10966.85   706.656  143.863 6.4210  142.169 4.5892  1.694855       7.892368  
1 1 1 4   48  15 o 407.944 6.9766  90571.40   3082.59  90133.88   6168.46  90717.03   3558.85  403.895 14.101  407.937 8.0546  -4.042755      16.23899  
1 1 1 4   48  16 o 318.281 5.5939  55069.97   1928.39  53532.22   3860.40  55581.28   2226.01  311.933 11.426  319.560 6.4314  -7.627106      13.11181  
1 1 1 4   48  17 f 97.134  2.9758  5116.35    313.070  5717.13    630.973  4920.14    360.586  102.338 5.7154  95.229  3.4960  7.108643       6.699805  
1 1 1 4   48  18 o 99.040  2.9367  5321.05    315.017  5199.51    638.669  5360.12    362.132  97.446  6.0816  99.377  3.3644  -1.930351      6.950158  
1 1 1 4   48  19 o 108.664 2.9690  6409.04    349.438  6944.12    704.503  6234.44    402.430  112.609 5.7958  107.130 3.4682  5.478745       6.754273  
1 1 1 4   48  20 o 113.840 3.0913  7040.74    381.156  6768.05    783.587  7125.26    436.244  110.810 6.5581  114.467 3.5187  -3.657074      7.442398  
1 1 1 4   48  21 o 88.651  3.1701  4273.85    304.385  4362.54    634.153  4247.31    346.966  88.705  6.6488  88.318  3.6272  0.3868408      7.573860  
1 1 1 4   48  22 o 57.386  3.7934  1803.82    234.452  1797.78    514.101  1805.41    263.441  55.966  8.7691  57.325  4.2737  -1.358730      9.755102  
1 1 1 4   48  23 o 82.303  3.3060  3692.66    294.708  3108.73    622.627  3861.26    334.559  74.012  7.8886  84.096  3.6730  -10.08427      8.701835  
1 1 1 4   48  24 o 64.076  3.5687  2250.40    246.686  2334.75    545.875  2228.75    276.534  63.757  8.0867  63.661  4.0314  0.9556198E-01  9.035839  
1 1 1 4   48  25 o 55.319  4.0573  1689.75    241.406  2373.66    521.704  1503.41    272.314  64.197  7.6540  51.930  4.8994  12.26680       9.087770  
1 1 1 4   48  26 o 25.535  7.1377  383.347    205.076  236.033    468.416  418.279    228.098  25.940  10.575  26.615  7.5588  -0.6753063     12.99831  
1 1 1 4   48  27 o 14.247  2.0782  112.786    31.124   -107.1685  462.496  113.787    31.194   21.385  9.6008  14.312  2.0727  7.073284       9.822020  
1 1 1 4   48  28 o 31.691  6.3724  596.527    211.145  565.807    496.187  603.320    233.324  30.463  11.301  31.623  6.9974  -1.160215      13.29191  
1 1 1 4   48  29 o 25.971  1.6615  369.074    46.492   0.0000     0.0000   369.074    46.492   ?       ?       25.971  1.6615  0.000000       1.661492  
1 1 1 4   48  30 f 26.043  9.7371  442.039    369.779  0.0000     0.0000   442.039    369.779  ?       ?       26.043  9.7371  0.000000       9.737080  
1 1 1 4   48  31 o 36.880  10.069  1012.35    413.504  0.0000     0.0000   1012.35    413.504  ?       ?       36.880  10.069  0.000000       10.06905  
1 1 1 4   48  32 o 24.190  9.5038  404.841    364.205  0.0000     0.0000   404.841    364.205  ?       ?       24.190  9.5038  0.000000       9.503786  
1 1 1 4   49  0  o 251.515 4.5880  34289.17   1249.85  34432.99   1768.85  34145.77   1766.27  251.929 6.4825  250.875 6.5002  1.054169       9.180188  
1 1 1 4   49  1  o 308.020 5.3580  51443.93   1787.51  50696.89   2528.78  52189.96   2527.07  305.580 7.6404  310.059 7.5249  -4.478821      10.72381  
1 1 1 4   49  2  o 409.803 6.9338  91139.11   3077.65  94460.13   4353.21  87820.42   4351.69  416.794 9.6431  401.817 9.9991  14.97662       13.89142  
1 1 1 4   49  3  o 215.569 4.0246  25184.22   939.687  25043.48   1329.59  25324.68   1328.24  214.886 5.7127  216.092 5.6750  -1.205154      8.052389  
1 1 1 4   49  4  o 286.069 5.0598  44371.04   1567.73  44927.75   2217.73  43814.94   2216.49  287.690 7.1173  284.097 7.2033  3.593384       10.12632  
1 1 1 4   49  5  o 229.669 4.1751  28589.82   1038.59  29131.06   1469.59  28049.77   1467.98  231.738 5.8550  227.389 5.9605  4.348404       8.355160  
1 1 1 4   49  6  o 371.326 6.4179  74829.59   2581.20  75109.78   3651.22  74549.67   3649.51  371.627 9.0711  370.233 9.1010  1.393433       12.84964  
1 1 1 4   49  7  o 48.649  2.9332  1286.96    153.832  1374.53    224.016  1208.81    211.616  50.184  4.1589  47.036  4.1980  3.148148       5.909236  
1 1 1 4   49  8  o 319.842 5.5936  55501.15   1937.76  54549.33   2741.81  56451.04   2739.02  316.787 7.9910  322.283 7.8467  -5.496033      11.19937  
1 1 1 4   49  9  o 228.973 4.2406  28424.46   1051.68  28563.99   1491.13  28286.36   1483.49  229.405 6.0013  228.288 5.9997  1.117432       8.485997  
1 1 1 4   49  10 o 218.655 4.1255  25920.74   977.038  25909.72   1384.30  25931.67   1379.19  218.485 5.8498  218.579 5.8257  -0.9452820E-01 8.255800  
1 1 1 4   49  11 o 326.080 5.6665  57712.61   2001.30  58164.70   2832.39  57261.88   2828.14  326.988 7.9974  324.431 8.0484  2.556976       11.34615  
1 1 1 4   49  12 o 73.382  2.8511  2918.04    226.610  2504.60    472.483  3041.56    258.251  67.585  6.5362  74.914  3.1828  -7.329102      7.269947  
1 1 1 4   49  13 o 161.473 3.9391  14138.56   688.910  14331.74   1198.44  14043.23   841.916  162.361 6.8149  160.875 4.8318  1.486893       8.354023  
1 1 1 4   49  14 o 179.154 4.3616  17412.96   846.340  21049.50   1376.63  15203.29   1073.09  196.765 6.4595  167.275 5.9229  29.48978       8.763947  
1 1 1 4   49  15 o 34.089  1.4412  629.472    53.212   52.583     328.455  645.021    53.925   20.995  8.7356  34.508  1.4428  -13.51324      8.853968  
1 1 1 4   49  16 o 35.863  1.8889  698.775    73.112   805.433    356.404  694.089    74.701   37.629  8.8867  35.739  1.9370  1.889557       9.095393  
1 1 1 4   49  17 o 69.484  3.0647  2618.64    230.646  2770.09    479.635  2573.08    263.058  71.017  6.3010  68.769  3.5438  2.248520       7.229204  
1 1 1 4   49  18 o 141.702 3.2328  10898.16   496.161  10908.78   998.968  10894.69   571.655  141.291 6.5278  141.628 3.7266  -0.3370209     7.516652  
1 1 1 4   49  19 o 73.195  2.9872  2908.56    236.822  2596.40    480.827  3008.54    272.116  68.533  6.5577  74.417  3.3761  -5.884117      7.375715  
1 1 1 4   49  20 o 152.446 3.4902  12640.19   576.286  13414.08   1132.17  12369.57   669.508  156.142 6.6945  150.681 4.1023  5.461090       7.851464  
1 1 1 4   49  21 o 62.783  3.4965  2152.50    236.819  2612.04    495.627  2016.54    269.585  68.457  6.7733  60.660  4.1277  7.797108       7.931928  
1 1 1 4   49  22 o 37.772  5.1486  797.003    205.143  890.804    468.052  774.700    228.232  38.788  10.762  37.061  5.8823  1.726425       12.26499  
1 1 1 4   49  23 o 84.161  3.2770  3861.40    298.711  3817.29    631.946  3874.09    338.969  82.378  7.1537  84.219  3.7160  -1.841339      8.061316  
1 1 1 4   49  24 o 47.117  4.3466  1229.07    219.319  710.825    497.460  1354.10    244.348  34.792  11.422  49.407  4.6197  -14.61518      12.32127  
1 1 1 4   49  25 o 55.173  1.9540  1654.20    116.768  1121.55    501.499  1684.74    120.067  42.514  10.854  55.676  1.9911  -13.16174      11.03476  
1 1 1 4   49  26 o 34.336  6.0641  681.150    217.272  409.741    482.072  750.337    243.395  28.725  11.031  35.927  6.4939  -7.202295      12.80052  
1 1 1 4   49  27 o 42.764  5.2629  1038.81    238.626  741.805    505.984  1123.77    270.609  34.259  11.528  44.299  5.7776  -10.04014      12.89483  
1 1 1 4   49  28 o 38.146  1.7243  792.044    71.241   236.502    497.826  803.659    71.982   25.424  10.679  38.424  1.7296  -12.99918      10.81857  
1 1 1 4   49  29 o 65.239  4.5850  2430.36    321.925  0.0000     0.0000   2430.36    321.925  ?       ?       65.239  4.5850  0.000000       4.585038  
1 1 1 4   49  30 o 15.196  7.2915  -356.2180  346.654  0.0000     0.0000   -356.2180  346.654  ?       ?       15.196  7.2915  0.000000       7.291467  
1 1 1 4   49  31 o 23.319  9.3237  329.645    356.356  0.0000     0.0000   329.645    356.356  ?       ?       23.319  9.3237  0.000000       9.323716  
1 1 1 4   49  32 o 21.222  9.1844  200.596    388.262  0.0000     0.0000   200.596    388.262  ?       ?       21.222  9.1844  0.000000       9.184443  
1 1 1 4   50  0  o 218.222 4.0575  25808.20   959.021  26119.25   1357.52  25498.30   1355.00  219.454 5.7113  216.827 5.7698  2.627548       8.118408  
1 1 1 4   50  1  o 268.855 4.8386  39186.24   1408.98  38892.57   1993.12  39479.60   1992.07  267.702 6.8740  269.720 6.8190  -2.017303      9.682545  
1 1 1 4   50  2  o 214.753 4.0387  24994.33   939.404  25053.45   1328.56  24935.22   1328.47  214.926 5.7072  214.418 5.7203  0.5084839      8.080482  
1 1 1 4   50  3  o 46.343  1.9807  1163.27    99.420   1114.67    112.571  1335.60    211.969  45.304  2.3017  49.482  3.9889  -4.178101      4.605351  
1 1 1 4   50  4  o 161.630 3.4230  14155.61   599.243  14135.15   846.154  14176.19   848.768  161.467 4.8383  161.701 4.8463  -0.2339020     6.848048  
1 1 1 4   50  5  o 178.364 3.5161  17239.77   679.261  17428.54   960.789  17051.13   960.452  179.283 4.9479  177.328 5.0007  1.954193       7.034784  
1 1 1 4   50  6  o 373.696 6.2891  75789.63   2545.52  79775.58   3601.18  71809.33   3598.63  383.026 8.6805  363.317 9.1449  19.70834       12.60881  
1 1 1 4   50  7  f 270.084 4.8330  39556.31   1413.78  40419.52   2001.06  38695.98   1997.72  272.841 6.7714  266.946 6.9094  5.894806       9.674329  
1 1 1 4   50  8  o 53.425  2.9104  1551.10    167.774  1602.04    253.280  1511.28    223.953  54.184  4.3525  52.653  3.9559  1.531021       5.881618  
1 1 1 4   50  9  o 88.018  2.7341  4197.47    260.646  4290.59    377.987  4113.06    359.895  88.966  3.9227  87.108  3.8146  1.857697       5.471586  
1 1 1 4   50  10 o 68.763  2.7997  2562.00    208.511  2675.89    322.605  2480.28    273.258  70.121  4.2680  67.539  3.7502  2.581490       5.681587  
1 1 1 4   50  11 o 92.946  2.8884  4681.26    290.775  4339.46    418.149  5001.30    404.620  89.455  4.3157  96.047  3.8895  -6.591927      5.809800  
1 1 1 4   50  12 o 231.632 4.2959  29098.07   1077.76  29518.85   2160.78  28958.72   1243.48  232.799 8.5696  231.020 4.9696  1.779602       9.906260  
1 1 1 4   50  13 o 91.207  3.3731  4509.51    333.212  4090.32    577.948  4718.23    407.816  86.541  6.2071  93.274  4.0368  -6.732475      7.404306  
1 1 1 4   50  14 o 176.066 4.1551  16815.77   792.374  16946.27   1374.13  16750.76   969.856  176.453 7.1900  175.650 5.0979  0.8022919      8.813879  
1 1 1 4   50  15 o 283.533 5.0758  43664.77   1558.76  41716.96   3119.66  44312.85   1799.48  275.823 10.443  285.497 5.8194  -9.673370      11.95459  
1 1 1 4   50  16 o 186.345 3.7181  18841.15   750.424  18278.22   1502.51  19028.25   866.197  182.989 7.5809  187.211 4.2718  -4.222183      8.701665  
1 1 1 4   50  17 o 201.898 3.9360  22135.24   860.700  22129.30   1723.63  22137.22   993.424  201.041 7.9157  201.815 4.5448  -0.7745056     9.127593  
1 1 1 4   50  18 o 195.030 4.0429  20675.62   854.023  19935.63   1622.79  20959.07   1004.36  190.527 7.8638  196.229 4.7256  -5.702118      9.174466  
1 1 1 4   50  19 o 95.730  2.9296  4975.54    303.756  4688.05    614.408  5068.53    349.450  92.319  6.1803  96.583  3.3405  -4.264450      7.025342  
1 1 1 4   50  20 o 108.309 3.1044  6375.83    364.177  6049.40    746.155  6477.91    417.250  104.637 6.6178  109.115 3.5305  -4.478279      7.500690  
1 1 1 4   50  21 o 21.765  6.8939  258.554    182.234  516.678    397.202  189.736    205.093  30.763  10.212  20.179  7.3011  10.58440       12.55341  
1 1 1 4   50  22 o 63.168  2.4046  2167.69    164.519  1904.15    510.710  2198.20    173.783  57.666  8.4255  63.601  2.5227  -5.935753      8.795047  
1 1 1 4   50  23 o 45.844  2.1834  1141.65    108.412  1103.24    492.178  1143.61    111.142  42.806  10.657  45.880  2.2366  -3.073765      10.88912  
1 1 1 4   50  24 o 125.678 3.2696  8624.54    445.070  8518.87    911.189  8657.65    510.056  123.029 6.8654  125.759 3.7446  -2.729889      7.820224  
1 1 1 4   50  25 o 38.448  5.4401  837.320    220.218  771.954    485.823  854.225    247.058  35.529  11.256  38.630  6.1079  -3.100395      12.80669  
1 1 1 4   50  26 o 26.834  7.2244  426.603    214.632  487.955    475.988  410.944    240.466  29.913  11.074  26.386  7.8407  3.527029       13.56887  
1 1 1 4   50  27 o 39.784  1.8038  860.885    77.725   529.272    493.891  869.307    78.705   30.349  11.272  39.977  1.8177  -9.628380      11.41718  
1 1 1 4   50  28 o 79.635  3.5990  3516.39    310.430  3724.67    643.375  3453.19    354.414  78.541  7.6606  78.496  4.1837  0.4478455E-01  8.728635  
1 1 1 4   50  29 o 23.581  9.1732  310.185    336.632  0.0000     0.0000   310.185    336.632  ?       ?       23.581  9.1732  0.000000       9.173178  
1 1 1 4   50  30 o 25.859  9.1729  445.784    322.060  0.0000     0.0000   445.784    322.060  ?       ?       25.859  9.1729  0.000000       9.172949  
1 1 1 4   50  31 o 30.452  10.698  730.496    437.110  0.0000     0.0000   730.496    437.110  ?       ?       30.452  10.698  0.000000       10.69812  
1 1 1 4   50  32 o 21.328  9.0139  230.598    358.199  0.0000     0.0000   230.598    358.199  ?       ?       21.328  9.0139  0.000000       9.013947  
1 1 1 4   51  0  o 279.687 4.9789  42411.80   1508.24  42559.28   2133.46  42264.44   2132.50  280.011 7.0346  279.038 7.0560  0.9735718      9.963531  
1 1 1 4   51  1  o 323.260 5.6252  56675.00   1969.52  56601.63   2786.34  56748.26   2784.30  322.810 7.9692  323.229 7.9531  -0.4197998     11.25879  
1 1 1 4   51  2  o 210.796 3.9884  24082.23   910.613  24248.64   1287.90  23915.88   1287.70  211.444 5.6236  209.986 5.6618  1.457993       7.980051  
1 1 1 4   51  3  o 190.545 3.7353  19675.79   770.883  19167.11   1090.74  20183.44   1089.64  187.997 5.3568  192.924 5.2147  -4.926987      7.475803  
1 1 1 4   51  4  o 458.456 7.7347  114174.40  3840.69  115904.00  5432.25  112445.70  5430.85  461.225 10.874  454.250 11.038  6.974823       15.49490  
1 1 1 4   51  5  o 354.482 6.5469  68207.23   2513.62  68536.20   3877.96  67968.86   3300.95  354.775 10.092  353.564 8.6199  1.210571       13.27223  
1 1 1 4   51  6  o 141.319 3.1352  10821.32   479.887  10514.26   681.247  11123.75   676.109  139.258 4.5166  143.243 4.3578  -3.985062      6.276198  
1 1 1 4   51  7  o 39.019  3.3948  831.313    142.039  707.472    213.521  929.617    190.237  35.665  5.7209  41.182  4.3298  -5.517258      7.174654  
1 1 1 4   51  8  o 105.062 2.8372  5980.68    322.849  6083.68    464.090  5884.09    449.419  105.936 4.0447  104.185 3.9827  1.750633       5.676412  
1 1 1 4   51  9  o 255.343 4.6335  35358.88   1281.45  34767.71   1814.39  35947.26   1810.12  253.014 6.6209  257.284 6.4957  -4.269943      9.275212  
1 1 1 4   51  10 o 232.934 4.2957  29421.25   1083.77  30365.18   1535.87  28485.13   1529.51  236.497 5.9960  229.042 6.1655  7.454681       8.600272  
1 1 1 4   51  11 o 241.743 4.4670  31695.12   1169.60  30713.85   1657.19  32669.02   1650.95  237.783 6.4346  245.260 6.2150  -7.476807      8.945962  
1 1 1 4   51  12 o 170.213 4.0527  15711.17   747.145  16029.31   1300.78  15554.53   912.724  171.700 6.9946  169.305 4.9774  2.395203       8.584818  
1 1 1 4   51  13 o 197.461 5.4669  21173.31   1169.21  21587.10   1655.26  20761.26   1651.77  199.118 7.6751  195.253 7.8106  3.864471       10.95046  
1 1 1 4   51  14 o 101.845 3.3819  5623.77    373.053  5584.54    654.627  5642.63    453.983  101.186 5.9999  101.987 4.1098  -0.8009415     7.272537  
1 1 1 4   51  15 o 138.677 3.2072  10427.75   481.733  12124.87   963.928  9862.76    556.169  149.308 5.9606  134.833 3.8084  14.47501       7.073361  
1 1 1 4   51  16 o 93.339  2.9039  4724.01    293.568  4650.38    588.055  4748.44    338.807  92.239  5.9174  93.561  3.3434  -1.321754      6.796618  
1 1 1 4   51  17 o 99.257  2.8102  5343.48    302.111  5226.53    629.483  5378.48    344.363  97.726  5.9758  99.560  3.1935  -1.833992      6.775563  
1 1 1 4   51  18 o 140.128 3.2116  10660.78   487.427  10802.20   982.971  10614.66   561.296  140.514 6.4588  139.765 3.7079  0.7481232      7.447445  
1 1 1 4   51  19 o 68.939  2.4733  2578.82    184.677  2229.67    525.818  2627.95    197.242  63.089  7.8659  69.585  2.6171  -6.495697      8.289820  
1 1 1 4   51  20 o 75.330  3.1770  3085.31    259.213  3478.90    554.550  2975.27    293.218  79.235  6.5196  73.927  3.6620  5.308571       7.477709  
1 1 1 4   51  21 o 29.481  6.1043  495.838    188.500  224.110    410.548  568.423    212.188  25.467  10.063  31.549  6.4279  -6.081772      11.94098  
1 1 1 4   51  22 o 124.507 3.2494  8445.44    438.195  7819.72    880.095  8651.68    505.277  118.393 6.8931  125.905 3.7052  -7.512131      7.825843  
1 1 1 4   51  23 o 36.922  5.3355  766.738    207.177  425.000    455.683  855.784    232.608  29.353  10.842  38.956  5.6799  -9.603407      12.23938  
1 1 1 4   51  24 o 61.655  3.7683  2089.46    250.432  2135.81    545.174  2077.06    281.939  60.569  8.5479  61.343  4.2701  -0.7742119     9.555121  
1 1 1 4   51  25 o 100.441 3.2355  5518.19    351.984  5988.73    732.335  5376.84    401.386  102.845 6.6094  98.980  3.7441  3.864510       7.596209  
1 1 1 4   51  26 o 61.363  2.5127  2053.63    167.002  1936.15    547.249  2065.69    175.367  56.609  9.2447  61.522  2.6318  -4.913116      9.611970  
1 1 1 4   51  27 o 61.435  3.7271  2090.81    246.833  2328.55    559.635  2033.39    275.029  62.079  8.5500  60.388  4.2317  1.691414       9.539886  
1 1 1 4   51  28 o 26.537  7.4010  436.413    220.745  108.787    494.621  517.898    246.673  23.501  10.266  28.748  7.7471  -5.247578      12.86132  
1 1 1 4   51  29 o 20.329  8.4212  157.072    303.311  0.0000     0.0000   157.072    303.311  ?       ?       20.329  8.4212  0.000000       8.421199  
1 1 1 4   51  30 o 16.113  7.5377  -189.9232  327.775  0.0000     0.0000   -189.9232  327.775  ?       ?       16.113  7.5377  0.000000       7.537671  
1 1 1 4   51  31 o 26.189  9.6102  491.484    357.147  0.0000     0.0000   491.484    357.147  ?       ?       26.189  9.6102  0.000000       9.610244  
1 1 1 4   51  32 o 28.898  10.229  662.786    400.251  0.0000     0.0000   662.786    400.251  ?       ?       28.898  10.229  0.000000       10.22866  
1 1 1 4   52  0  o 262.725 4.6615  37420.28   1326.47  38528.82   1876.64  36313.45   1875.18  266.454 6.5026  258.664 6.6932  7.789734       9.331845  
1 1 1 4   52  1  o 249.355 4.5723  33707.38   1234.87  34162.11   1747.58  33253.89   1745.17  250.904 6.4307  247.540 6.5091  3.363907       9.150002  
1 1 1 4   52  2  o 315.923 5.5116  54134.15   1885.94  54371.12   2667.89  53897.45   2666.37  316.372 7.7857  314.988 7.8155  1.384827       11.03174  
1 1 1 4   52  3  o 250.639 4.5435  34056.82   1233.40  33396.87   1744.43  34716.58   1744.16  248.060 6.4927  252.924 6.3669  -4.864334      9.093538  
1 1 1 4   52  4  o 72.826  2.7041  2873.30    213.293  3011.55    303.431  2738.27    299.884  74.448  3.7754  70.971  3.9164  3.476974       5.439847  
1 1 1 4   52  5  o 204.055 3.9595  22568.93   875.097  22163.45   1238.51  22973.18   1236.64  202.122 5.6574  205.788 5.5482  -3.666031      7.923947  
1 1 1 4   52  6  o 150.043 3.2527  12199.49   528.604  12111.74   750.085  12286.07   745.059  149.455 4.6337  150.530 4.5698  -1.074310      6.508024  
1 1 1 4   52  7  o 135.511 3.0547  9950.28    448.348  10038.77   638.575  9864.26    629.638  136.073 4.3328  134.886 4.3098  1.187088       6.111243  
1 1 1 4   52  8  o 153.429 3.2805  12757.08   545.158  12848.65   775.541  12667.64   766.478  153.925 4.6518  152.838 4.6302  1.087082       6.563403  
1 1 1 4   52  9  o 140.091 3.0949  10635.13   469.596  11248.34   673.676  10055.56   654.938  144.029 4.3185  136.174 4.4405  7.855316       6.194152  
1 1 1 4   52  10 o 354.214 6.0989  68127.09   2339.86  68655.15   3311.24  67600.42   3306.90  355.120 8.6089  352.369 8.6647  2.750397       12.21431  
1 1 1 4   52  11 o 371.573 6.3494  75002.91   2555.34  77338.23   3615.77  72672.68   3611.82  376.761 8.8607  365.151 9.1324  11.60959       12.72444  
1 1 1 4   52  12 o 519.254 10.097  147289.50  5678.73  142446.50  9837.91  149709.50  6954.27  505.940 17.953  522.416 12.290  -16.47568      21.75680  
1 1 1 4   52  13 o 141.831 3.8513  10909.16   591.625  10280.64   990.250  11258.03   737.773  137.495 6.6495  144.031 4.7293  -6.535080      8.159759  
1 1 1 4   52  14 o 95.286  2.7669  4921.14    285.554  5734.33    638.339  4717.70    319.282  102.553 5.7703  93.284  3.1601  9.269371       6.578948  
1 1 1 4   52  15 o 171.891 3.6919  16029.28   687.335  16086.63   1313.79  16007.67   806.515  171.795 7.0606  171.717 4.3364  0.7757568E-01  8.285955  
1 1 1 4   52  16 o 178.377 3.6343  17267.92   702.144  15624.19   1405.18  17814.91   810.596  169.054 7.6742  181.124 4.1320  -12.06920      8.715908  
1 1 1 4   52  17 o 197.976 3.8733  21292.13   830.550  20774.37   1664.75  21463.71   958.337  194.601 7.8983  198.673 4.4536  -4.071838      9.067403  
1 1 1 4   52  18 o 191.641 3.9456  19971.90   818.972  19962.43   1555.98  19975.53   963.183  190.552 7.5391  191.506 4.6436  -0.9533081     8.854457  
1 1 1 4   52  19 o 109.713 2.9790  6538.31    353.992  6498.77    757.453  6549.37    400.410  108.590 6.4695  109.759 3.3682  -1.169693      7.293751  
1 1 1 4   52  20 o 184.171 3.6885  18472.06   735.779  20027.77   1483.14  17964.19   847.411  190.285 7.1962  181.436 4.3122  8.849045       8.389338  
1 1 1 4   52  21 o 87.808  2.7743  4191.17    263.851  4357.21    614.520  4153.64    292.151  88.585  6.4490  87.375  3.0871  1.210052       7.149840  
1 1 1 4   52  22 o 90.613  2.8434  4467.59    279.063  4265.69    634.440  4516.03    310.737  87.350  6.7585  91.054  3.1508  -3.704292      7.456898  
1 1 1 4   52  23 o 131.242 3.2658  9396.38    464.223  10067.97   936.841  9177.80    534.452  134.447 6.4334  129.536 3.8093  4.910950       7.476636  
1 1 1 4   52  24 o 35.453  1.9889  685.060    76.065   981.051    458.805  676.695    77.132   40.032  10.464  35.230  2.0300  4.801380       10.65951  
1 1 1 4   52  25 o 33.171  5.8978  632.998    204.126  135.014    478.913  743.552    225.650  24.831  10.455  35.982  6.0014  -11.15135      12.05470  
1 1 1 4   52  26 o 61.561  3.8880  2095.77    257.910  2410.87    556.112  2009.42    291.110  63.888  8.2278  60.060  4.5079  3.827435       9.381827  
1 1 1 4   52  27 o 6.2332  2.6504  0.3550     31.279   -689.5950  469.517  3.4308     31.349   16.717  8.1325  6.3949  2.6827  10.32232       8.563556  
1 1 1 4   52  28 o 20.256  2.3699  227.777    51.011   216.951    52.037   494.346    258.212  19.737  2.4896  27.896  8.0801  -8.158823      8.454958  
1 1 1 4   52  29 o 18.671  8.2317  20.319     324.632  0.0000     0.0000   20.319     324.632  ?       ?       18.671  8.2317  0.000000       8.231704  
1 1 1 4   52  30 o 53.988  6.9546  1817.80    397.211  0.0000     0.0000   1817.80    397.211  ?       ?       53.988  6.9546  0.000000       6.954557  
1 1 1 4   52  31 o 38.918  9.6915  1113.38    406.963  0.0000     0.0000   1113.38    406.963  ?       ?       38.918  9.6915  0.000000       9.691460  
1 1 1 4   52  32 o 44.404  8.3455  1357.39    386.632  0.0000     0.0000   1357.39    386.632  ?       ?       44.404  8.3455  0.000000       8.345513  
1 1 1 4   53  0  o 196.467 3.7849  20919.09   805.397  21632.18   1141.35  20211.83   1136.67  199.717 5.2763  193.041 5.4364  6.676498       7.575926  
1 1 1 4   53  1  o 183.281 3.6119  18204.21   716.999  18681.09   1015.73  17730.58   1012.26  185.606 5.0526  180.816 5.1687  4.789139       7.228048  
1 1 1 4   53  2  o 141.704 3.2412  10880.40   497.459  11127.47   726.962  10662.82   682.197  143.260 4.6851  140.244 4.4911  3.016342       6.490003  
1 1 1 4   53  3  o 191.367 3.9566  19849.19   820.086  19815.62   1232.55  19875.86   1098.54  191.103 5.9548  191.431 5.2982  -0.3285065     7.970630  
1 1 1 4   53  4  o 87.741  2.7426  4170.83    260.633  3996.14    369.995  4342.90    367.203  85.864  3.9785  89.515  3.7874  -3.651566      5.492952  
1 1 1 4   53  5  o 46.051  3.0425  1154.11    150.901  1288.23    216.989  1028.49    209.995  48.570  4.1650  43.316  4.5436  5.253773       6.163776  
1 1 1 4   53  6  o 160.828 3.3886  14017.15   590.278  14426.62   835.964  13609.99   833.601  163.107 4.7320  158.417 4.8583  4.689346       6.781973  
1 1 1 4   53  7  o 172.224 3.4791  16075.20   648.986  16362.78   920.483  15790.95   915.150  173.694 4.8928  170.628 4.9519  3.065140       6.961401  
1 1 1 4   53  8  o 130.284 3.0431  9197.90    429.411  8898.12    612.643  9487.40    602.053  128.101 4.4156  132.282 4.2021  -4.181717      6.095450  
1 1 1 4   53  9  o 347.680 5.9446  65623.47   2238.59  67398.01   3168.36  63854.57   3163.33  351.941 8.3118  342.522 8.5268  9.419128       11.90767  
1 1 1 4   53  10 o 195.702 3.8414  20763.63   814.238  20570.30   1156.34  20953.75   1146.73  194.679 5.4840  196.492 5.3882  -1.813629      7.688120  
1 1 1 4   53  11 o 77.538  2.9490  3258.17    247.663  3283.22    381.388  3239.90    325.671  77.665  4.5538  77.201  3.9075  0.4637756      6.000499  
1 1 1 4   53  12 o 129.602 3.5926  9106.78    504.296  8870.05    882.197  9221.68    614.615  127.748 6.3759  130.382 4.3523  -2.633575      7.719710  
1 1 1 4   53  13 o 148.345 3.8095  11934.63   612.084  11698.17   1078.57  12046.96   743.382  146.639 6.7909  148.992 4.6066  -2.352890      8.205930  
1 1 1 4   53  14 f 154.800 3.3428  12994.08   560.472  13647.15   1127.39  12779.69   645.951  158.350 6.5733  153.483 3.8857  4.866440       7.635930  
1 1 1 4   53  15 o 199.821 3.8819  21669.00   840.149  22820.96   1684.39  21287.50   969.339  204.453 7.6064  197.980 4.5205  6.473206       8.848245  
1 1 1 4   53  16 o 223.023 4.2099  27020.50   1016.92  27000.86   2034.42  27027.04   1174.13  221.892 8.4650  222.934 4.8626  -1.041733      9.762266  
1 1 1 4   53  17 o 159.049 3.3662  13734.17   579.893  14511.93   1166.52  13478.88   668.321  162.903 6.6114  157.493 3.9179  5.409409       7.685084  
1 1 1 4   53  18 o 204.153 3.9640  22673.25   876.516  21691.21   1753.70  23000.27   1011.98  198.238 8.1677  205.474 4.5472  -7.235870      9.348168  
1 1 1 4   53  19 o 146.615 3.3748  11688.80   535.916  12236.75   1069.04  11504.87   619.363  149.150 6.6176  145.350 3.9342  3.799240       7.698754  
1 1 1 4   53  20 o 122.484 3.0972  8157.85    410.879  8039.69    844.768  8194.47    470.250  120.596 6.4914  122.682 3.5390  -2.085953      7.393381  
1 1 1 4   53  21 o 87.956  3.1304  4210.51    298.220  3820.21    617.370  4329.31    340.593  82.705  6.9566  89.128  3.5282  -6.423767      7.800167  
1 1 1 4   53  22 f 104.806 3.1523  5984.16    357.838  5751.81    730.786  6057.44    410.406  101.501 6.6848  105.352 3.5967  -3.851189      7.590976  
1 1 1 4   53  23 o 110.340 3.1771  6641.16    379.698  6189.60    770.580  6785.95    436.346  104.971 6.8145  111.417 3.6158  -6.446777      7.714406  
1 1 1 4   53  24 o 30.958  6.2389  554.116    201.968  278.161    426.426  633.922    229.321  26.118  10.276  33.051  6.6365  -6.933334      12.23313  
1 1 1 4   53  25 o 23.818  7.0078  329.536    192.873  401.014    443.938  312.905    214.139  28.190  10.642  23.456  7.4776  4.733906       13.00678  
1 1 1 4   53  26 o 45.876  1.6826  1143.63    83.606   806.381    495.732  1153.50    84.821   35.626  11.379  46.072  1.6998  -10.44632      11.50569  
1 1 1 4   53  27 o 36.933  5.7796  793.261    223.618  1516.81    501.418  613.627    249.840  48.722  9.8406  31.744  7.4027  16.97775       12.31411  
1 1 1 4   53  28 o 42.847  6.1552  1093.72    277.444  0.0000     0.0000   1093.72    277.444  ?       ?       42.847  6.1552  0.000000       6.155196  
1 1 1 4   53  29 o 48.229  7.0784  1438.61    358.755  0.0000     0.0000   1438.61    358.755  ?       ?       48.229  7.0784  0.000000       7.078442  
1 1 1 4   53  30 o 45.275  8.7302  1385.36    412.593  0.0000     0.0000   1385.36    412.593  ?       ?       45.275  8.7302  0.000000       8.730242  
1 1 1 4   53  31 o 18.323  8.2468  11.491     343.693  0.0000     0.0000   11.491     343.693  ?       ?       18.323  8.2468  0.000000       8.246836  
1 1 1 4   54  0  o 219.564 4.1443  26131.40   985.569  26038.45   1393.84  26224.34   1393.77  219.071 5.8743  219.853 5.8531  -0.7820435     8.292580  
1 1 1 4   54  1  o 108.584 2.8713  6387.96    337.687  6407.43    477.694  6368.51    477.429  108.725 4.0565  108.394 4.0666  0.3309250      5.743917  
1 1 1 4   54  2  o 34.821  3.4572  663.544    128.665  528.914    176.080  817.785    188.469  30.767  5.4851  38.564  4.6031  -7.797668      7.160695  
1 1 1 4   54  3  f 258.377 4.6690  36197.49   1306.62  36432.28   1848.28  35962.91   1847.42  259.057 6.5872  257.379 6.6271  1.677948       9.343957  
1 1 1 4   54  4  o 128.764 2.9139  8983.49    406.390  9569.62    578.055  8410.69    571.447  132.869 4.0167  124.558 4.2358  8.311600       5.837481  
1 1 1 4   54  5  o 213.378 4.0771  24681.40   942.273  24486.18   1333.31  24876.19   1331.84  212.426 5.7950  214.115 5.7430  -1.688843      8.158652  
1 1 1 4   54  6  o 82.861  2.6848  3719.92    240.952  3818.56    345.676  3626.71    336.043  83.934  3.8024  81.798  3.7930  2.135513       5.370785  
1 1 1 4   54  7  o 200.603 3.8538  21813.79   837.336  22094.27   1186.35  21535.38   1182.00  201.794 5.4279  199.222 5.4779  2.572083       7.711645  
1 1 1 4   54  8  o 185.787 3.6698  18709.51   738.467  18944.62   1047.78  18477.46   1040.96  186.866 5.1769  184.546 5.2078  2.320389       7.343129  
1 1 1 4   54  9  o 48.402  3.2042  1275.20    167.027  1472.31    265.676  1146.37    214.782  51.880  4.7819  45.769  4.3865  6.111099       6.489039  
1 1 1 4   54  10 o 162.328 3.4147  14282.92   600.367  13937.04   854.339  14620.37   843.851  160.273 4.9215  164.166 4.7458  -3.892746      6.836967  
1 1 1 4   54  11 o 121.546 3.0347  8006.77    399.513  8379.90    584.022  7678.59    547.716  124.295 4.3382  118.984 4.2501  5.310875       6.073118  
1 1 1 4   54  12 o 90.045  3.3041  4395.38    322.241  4709.71    571.632  4248.96    390.139  92.943  5.7060  88.510  4.0697  4.433662       7.008633  
1 1 1 4   54  13 o 201.410 4.5300  22016.46   988.211  21006.43   1715.04  22518.47   1209.11  196.273 8.0676  203.590 5.4832  -7.317596      9.754604  
1 1 1 4   54  14 o 30.886  5.1108  531.951    164.989  664.156    329.670  487.773    190.572  34.216  8.8346  29.395  6.1817  4.821360       10.78257  
1 1 1 4   54  15 o 154.596 3.3457  12965.08   560.209  12412.37   1123.81  13147.85   646.226  150.852 6.8781  155.641 3.8335  -4.788162      7.874244  
1 1 1 4   54  16 o 78.199  2.9593  3317.25    250.643  2820.89    496.305  3487.18    290.396  71.599  6.4698  80.158  3.3448  -8.559265      7.283238  
1 1 1 4   54  17 o 133.375 3.1423  9656.75    453.938  8951.07    908.185  9891.77    524.103  127.725 6.5873  134.939 3.5860  -7.214127      7.500163  
1 1 1 4   54  18 o 193.669 3.7878  20402.80   794.535  22937.02   1615.94  19594.79   912.450  204.115 7.3093  189.637 4.4424  14.47809       8.553430  
1 1 1 4   54  19 o 45.200  3.9675  1121.39    192.270  1069.54    451.743  1132.86    212.476  42.836  9.9302  45.367  4.3786  -2.530083      10.85266  
1 1 1 4   54  20 o 112.606 2.9793  6894.00    363.373  7106.65    774.232  6833.93    411.511  113.385 6.3297  112.050 3.3908  1.334946       7.180700  
1 1 1 4   54  21 o 73.710  2.6136  2953.13    208.656  2756.56    545.666  2986.79    225.818  70.000  7.3047  74.107  2.8134  -4.106529      7.827727  
1 1 1 4   54  22 o 74.731  3.2927  3044.92    266.514  3055.67    556.053  3041.72    303.667  73.675  7.0546  74.520  3.7746  -0.8458786     8.000923  
1 1 1 4   54  23 o 61.520  3.6527  2077.16    242.296  1792.52    506.239  2161.74    275.956  55.420  8.7219  62.661  4.0885  -7.240501      9.632604  
1 1 1 4   54  24 o 31.529  1.2146  539.068    41.476   -246.6933  415.569  546.974    41.685   19.094  8.7756  31.760  1.2118  -12.66567      8.858869  
1 1 1 4   54  25 o 28.896  1.8715  455.720    58.257   764.766    432.307  450.004    58.794   35.128  10.530  28.709  1.9015  6.418634       10.70029  
1 1 1 4   54  26 o 33.370  6.2457  650.293    217.440  718.377    467.890  631.539    245.568  33.789  11.077  32.551  7.1599  1.238129       13.18954  
1 1 1 4   54  27 o 60.035  3.8895  2010.22    251.552  1544.04    562.245  2126.89    281.275  47.915  11.058  61.592  4.2422  -13.67701      11.84421  
1 1 1 4   54  28 o 38.151  6.3569  877.522    253.436  0.0000     0.0000   877.522    253.436  ?       ?       38.151  6.3569  0.000000       6.356899  
1 1 1 4   54  29 o 40.577  8.3293  1076.28    353.802  0.0000     0.0000   1076.28    353.802  ?       ?       40.577  8.3293  0.000000       8.329344  
1 1 1 4   54  30 o 24.329  9.6258  370.132    376.075  0.0000     0.0000   370.132    376.075  ?       ?       24.329  9.6258  0.000000       9.625773  
1 1 1 4   54  31 o 29.286  10.148  664.952    392.656  0.0000     0.0000   664.952    392.656  ?       ?       29.286  10.148  0.000000       10.14789  
1 1 1 4   55  0  o 142.169 3.1544  10951.96   485.725  10386.17   686.769  11518.24   687.070  138.405 4.5813  145.762 4.3520  -7.356171      6.318864  
1 1 1 4   55  1  o 151.825 3.2490  12490.73   534.275  13015.69   757.571  11971.27   753.602  154.940 4.5143  148.587 4.6826  6.352905       6.504296  
1 1 1 4   55  2  o 240.390 4.3114  31327.97   1122.56  32242.56   1588.13  30414.75   1586.94  243.751 6.0155  236.727 6.1893  7.024094       8.630956  
1 1 1 4   55  3  o 245.408 4.5008  32653.18   1196.33  32340.34   1692.65  32965.44   1691.09  244.083 6.4027  246.436 6.3356  -2.353729      9.007463  
1 1 1 4   55  4  o 515.383 8.5775  144476.20  4788.09  147468.00  6772.33  141486.00  6770.44  519.598 12.034  508.859 12.284  10.73911       17.19632  
1 1 1 4   55  5  o 111.704 2.8781  6760.78    348.208  6915.36    495.729  6610.23    489.216  112.946 4.0523  110.425 4.0904  2.520874       5.757834  
1 1 1 4   55  6  o 351.302 6.0236  66988.71   2291.95  67254.66   3242.25  66723.07   3240.36  351.596 8.5140  350.198 8.5430  1.397736       12.06109  
1 1 1 4   55  7  o 388.814 6.6481  82108.95   2799.70  82447.97   3960.61  81770.36   3958.15  389.051 9.3991  387.441 9.4323  1.609955       13.31580  
1 1 1 4   55  8  f 186.998 3.7084  18955.11   751.089  19211.79   1065.54  18701.62   1058.89  188.172 5.2281  185.654 5.2659  2.517853       7.420464  
1 1 1 4   55  9  o 202.655 3.9005  22266.08   856.142  21825.47   1215.83  22699.41   1205.76  200.521 5.5982  204.509 5.4435  -3.988098      7.808407  
1 1 1 4   55  10 o 168.916 3.4435  15466.63   630.002  16160.58   898.800  14796.38   883.315  172.586 4.8083  165.132 4.9387  7.453445       6.892762  
1 1 1 4   55  11 o 125.960 3.1309  8599.57    427.146  8125.28    618.628  9031.73    590.505  122.372 4.6674  129.040 4.2250  -6.667694      6.295673  
1 1 1 4   55  12 o 64.685  2.9567  2267.83    207.149  2337.47    440.087  2248.01    234.785  65.272  6.3035  64.304  3.3829  0.9678345      7.153881  
1 1 1 4   55  13 o 236.805 5.0743  30456.44   1301.48  29751.02   2257.87  30807.45   1592.70  233.340 8.9338  238.000 6.1786  -4.659882      10.86224  
1 1 1 4   55  14 o 178.231 3.6203  17233.32   698.869  17382.14   1403.08  17184.21   805.964  178.526 7.2562  177.924 4.1823  0.6019440      8.375173  
1 1 1 4   55  15 o 70.546  2.4929  2697.96    190.480  2482.07    460.819  2742.45    209.188  67.172  6.4118  71.119  2.7157  -3.947029      6.963212  
1 1 1 4   55  16 o 88.452  2.8716  4244.30    275.105  3950.51    553.760  4340.57    316.989  84.872  6.0640  89.427  3.2727  -4.554749      6.890741  
1 1 1 4   55  17 f 83.015  2.8920  3740.43    260.029  3826.78    521.887  3711.91    299.905  83.492  5.8073  82.667  3.3495  0.8247528      6.704023  
1 1 1 4   55  18 o 132.954 3.1571  9604.54    454.624  11293.64   937.981  9085.90    519.755  143.544 6.0331  129.232 3.7133  14.31200       7.084225  
1 1 1 4   55  19 o 124.255 3.1120  8393.38    418.821  9631.60    869.482  8019.27    477.920  132.396 6.0634  121.369 3.6356  11.02671       7.069828  
1 1 1 4   55  20 f 77.931  3.1418  3304.06    265.188  3153.05    570.316  3345.72    299.539  75.118  7.0937  78.373  3.5287  -3.255409      7.922914  
1 1 1 4   55  21 o 75.029  3.1876  3065.85    259.033  3522.18    553.193  2937.69    293.159  79.474  6.4831  73.280  3.7056  6.194092       7.467417  
1 1 1 4   55  22 o 18.212  6.8419  140.811    182.998  365.796    406.474  83.617     204.942  27.616  10.232  17.476  7.0412  10.14044       12.42035  
1 1 1 4   55  23 o 45.775  4.5773  1164.14    223.895  1061.89    457.735  1196.30    256.699  41.848  10.193  46.238  5.2169  -4.390327      11.45067  
1 1 1 4   55  24 o 50.622  4.1481  1418.74    225.436  1764.74    475.313  1318.32    256.070  54.894  8.2494  48.562  4.9371  6.332371       9.613976  
1 1 1 4   55  25 o 65.975  3.6084  2396.92    256.868  2652.07    530.411  2318.75    293.594  67.719  7.3495  64.692  4.2131  3.026848       8.471455  
1 1 1 4   55  26 o 17.233  6.8343  105.278    189.995  -159.0589  418.614  173.857    213.221  19.703  8.9608  19.500  7.3722  0.2024231      11.60373  
1 1 1 4   55  27 o 29.826  1.6096  485.438    51.804   513.365    467.662  485.091    52.125   28.997  10.929  29.813  1.6203  -0.8165493     11.04831  
1 1 1 4   55  28 o 19.616  8.3752  92.379     314.691  0.0000     0.0000   92.379     314.691  ?       ?       19.616  8.3752  0.000000       8.375243  
1 1 1 4   55  29 o 32.357  9.8176  741.760    374.126  0.0000     0.0000   741.760    374.126  ?       ?       32.357  9.8176  0.000000       9.817622  
1 1 1 4   55  30 o 30.017  9.5115  652.511    346.869  0.0000     0.0000   652.511    346.869  ?       ?       30.017  9.5115  0.000000       9.511458  
1 1 1 4   55  31 o 26.540  9.5518  514.233    350.414  0.0000     0.0000   514.233    350.414  ?       ?       26.540  9.5518  0.000000       9.551758  
1 1 1 4   56  0  o 120.329 2.9206  7845.07    380.639  7704.86    538.247  7985.33    538.362  119.219 4.1684  121.371 4.0953  -2.152565      5.843539  
1 1 1 4   56  1  o 350.884 6.0428  66816.59   2296.53  68021.59   3248.69  65612.93   3246.88  353.672 8.4808  347.328 8.6309  6.343994       12.10029  
1 1 1 4   56  2  o 271.985 4.8862  40117.83   1439.41  39198.24   2035.30  41038.01   2035.96  268.652 6.9947  274.902 6.8379  -6.249756      9.781719  
1 1 1 4   56  3  o 482.967 7.9927  126802.90  4181.01  128645.90  5913.66  124960.90  5912.02  485.561 11.245  478.504 11.407  7.057159       16.01763  
1 1 1 4   56  4  o 211.500 4.0035  24248.63   917.117  24833.71   1298.26  23665.82   1295.74  213.936 5.6028  208.836 5.7285  5.100174       8.012957  
1 1 1 4   56  5  o 512.597 9.2453  143062.70  5132.93  141970.70  7963.14  143838.91  6713.82  508.672 14.454  513.013 12.083  -4.341156      18.83889  
1 1 1 4   56  6  o 162.113 3.3239  14242.58   583.623  15130.38   827.102  13362.19   823.644  167.036 4.5717  156.959 4.8449  10.07646       6.661344  
1 1 1 4   56  7  o 194.901 3.7471  20591.19   791.009  21245.32   1121.39  19943.41   1115.94  197.883 5.2321  191.715 5.3742  6.168732       7.500481  
1 1 1 4   56  8  o 281.152 4.9754  42884.04   1515.08  44781.82   2145.02  40994.63   2140.29  287.070 6.8988  274.622 7.1956  12.44803       9.968419  
1 1 1 4   56  9  o 164.898 3.4367  14739.09   613.801  14989.73   875.795  14497.13   860.498  166.218 4.8647  163.465 4.8602  2.753708       6.876530  
1 1 1 4   56  10 o 214.879 4.3761  25045.63   1018.48  24682.53   1359.58  25509.95   1537.47  213.176 5.8884  216.644 6.5522  -3.468018      8.809392  
1 1 1 4   56  11 o 178.582 4.1855  17298.48   809.569  15909.09   1404.50  17989.79   990.709  170.949 7.5855  182.051 5.0244  -11.10249      9.098619  
1 1 1 4   56  12 o 176.591 5.1080  16934.08   976.995  16801.67   1384.86  17065.28   1378.52  175.653 7.2791  177.038 7.1892  -1.384583      10.23083  
1 1 1 4   56  13 o 133.775 3.6495  9707.11    528.782  9831.97    918.630  9645.25    646.657  134.418 6.3098  133.294 4.4791  1.123978       7.737941  
1 1 1 4   56  14 o 247.072 4.8374  33171.53   1294.52  32691.91   2429.81  33361.62   1529.69  244.199 9.1867  247.614 5.7037  -3.415146      10.81328  
1 1 1 4   56  15 o 165.777 3.4600  14915.50   621.258  14535.06   1249.04  15040.55   716.124  163.086 7.0712  166.413 3.9731  -3.326950      8.110909  
1 1 1 4   56  16 o 95.445  2.9009  4942.87    299.885  4168.72    601.967  5198.42    345.858  87.099  6.4264  97.857  3.2631  -10.75800      7.207419  
1 1 1 4   56  17 o 42.516  2.2692  983.125    104.118  1323.91    353.399  950.733    108.954  48.651  6.9000  41.795  2.4172  6.855549       7.311150  
1 1 1 4   56  18 o 213.103 4.0526  24735.21   935.384  24251.56   1888.53  24892.42   1076.73  209.080 8.3395  213.584 4.6545  -4.504166      9.550498  
1 1 1 4   56  19 o 177.407 3.8344  17147.80   736.783  17010.54   1430.03  17197.40   859.668  175.189 7.5365  177.470 4.4723  -2.281403      8.763556  
1 1 1 4   56  20 o 66.291  3.2479  2392.11    233.201  2467.99    517.925  2372.82    261.173  66.268  7.3391  65.875  3.6751  0.3930511      8.207881  
1 1 1 4   56  21 o 40.786  4.2215  919.511    183.788  720.993    441.830  961.048    202.103  35.107  10.673  41.640  4.5555  -6.533249      11.60441  
1 1 1 4   56  22 o 81.075  3.2829  3585.80    288.285  3716.10    587.313  3544.44    330.889  81.343  6.7266  80.508  3.7947  0.8350525      7.723107  
1 1 1 4   56  23 o 39.415  4.7017  867.891    196.755  737.392    443.956  899.787    219.488  34.997  10.711  40.014  5.1865  -5.017017      11.90034  
1 1 1 4   56  24 o 74.037  3.2930  2999.50    264.062  2342.61    561.530  3186.01    299.210  63.215  8.4099  76.221  3.6244  -13.00546      9.157689  
1 1 1 4   56  25 o 78.399  2.7747  3356.74    235.609  2923.55    585.117  3440.57    257.399  70.836  7.7529  79.317  2.9962  -8.480225      8.311737  
1 1 1 4   56  26 o 24.761  6.9938  365.559    195.828  1382.21    432.571  103.493    219.622  47.491  8.7313  18.002  7.2764  29.48940       11.36581  
1 1 1 4   56  27 o 14.950  6.5489  -13.9730   202.499  -58.8329   423.076  -0.6419    230.633  20.297  9.1413  16.108  7.0243  4.189116       11.52839  
1 1 1 4   56  28 o 21.393  9.1833  127.051    382.020  0.0000     0.0000   127.051    382.020  ?       ?       21.393  9.1833  0.000000       9.183270  
1 1 1 4   56  29 o 22.339  9.1894  240.305    357.771  0.0000     0.0000   240.305    357.771  ?       ?       22.339  9.1894  0.000000       9.189406  
1 1 1 4   56  30 o 18.804  8.4635  5.2654     362.013  0.0000     0.0000   5.2654     362.013  ?       ?       18.804  8.4635  0.000000       8.463463  
1 1 1 4   56  31 o 16.982  7.9526  -161.3584  366.545  0.0000     0.0000   -161.3584  366.545  ?       ?       16.982  7.9526  0.000000       7.952639  
1 1 1 4   57  0  o 91.674  2.7979  4553.38    277.813  4397.53    396.035  4704.36    389.812  90.068  4.0597  93.162  3.8632  -3.093513      5.604040  
1 1 1 4   57  1  o 204.685 3.9096  22709.44   866.742  23062.48   1227.44  22358.32   1224.09  206.178 5.4965  203.001 5.5673  3.176727       7.823442  
1 1 1 4   57  2  o 272.594 4.8614  40298.84   1435.31  39995.32   2031.07  40601.63   2028.60  271.369 6.9103  273.425 6.8500  -2.056000      9.730049  
1 1 1 4   57  3  o 265.846 4.8305  38328.68   1390.89  37398.32   1967.33  39258.42   1966.69  262.402 6.9221  268.867 6.7535  -6.465424      9.670853  
1 1 1 4   57  4  o 103.200 2.7695  5770.39    309.568  5437.46    430.103  6128.26    445.917  100.153 3.9650  106.327 3.8720  -6.174232      5.541990  
1 1 1 4   57  5  o 55.120  2.9361  1650.92    174.656  1376.49    244.145  1938.57    249.959  50.178  4.5415  59.675  3.8886  -9.497009      5.978817  
1 1 1 4   57  6  o 148.112 3.2310  11888.46   518.319  11684.30   735.489  12089.91   730.562  146.781 4.6263  149.312 4.5174  -2.530899      6.466067  
1 1 1 4   57  7  o 380.260 7.0174  78579.23   2890.18  79335.69   4465.47  78033.90   3791.42  381.179 10.816  378.455 9.2495  2.723816       14.23162  
1 1 1 4   57  8  o 102.631 2.7966  5707.53    310.866  5867.59    447.662  5558.46    432.018  104.029 3.9731  101.252 3.9394  2.776390       5.595008  
1 1 1 4   57  9  o 125.474 3.0696  8532.59    417.163  8206.85    601.064  8835.33    579.444  123.001 4.5117  127.638 4.1914  -4.637299      6.158216  
1 1 1 4   57  10 o 259.079 4.7153  36420.56   1323.16  35838.14   1873.87  36999.72   1868.61  256.740 6.7387  260.886 6.6130  -4.146576      9.441478  
1 1 1 4   57  11 o 348.980 6.9743  66266.84   2636.16  68179.80   4569.42  65312.53   3227.41  352.365 11.973  346.029 8.6113  6.335175       14.74805  
1 1 1 4   57  12 o 276.853 5.6980  41658.18   1708.62  41406.44   2096.26  42156.46   2949.21  275.759 7.0185  277.525 9.8114  -1.766754      12.06331  
1 1 1 4   57  13 o 250.381 5.2815  34074.43   1432.30  35566.76   2486.08  33332.99   1752.34  254.922 9.0040  247.402 6.5395  7.519867       11.12824  
1 1 1 4   57  14 o 15.579  5.9813  87.890     141.714  63.135     301.011  94.939     160.630  20.323  8.4016  16.452  6.3542  3.871292       10.53392  
1 1 1 4   57  15 o 43.283  3.5346  1023.81    164.257  1176.09    349.666  980.692    186.064  45.812  7.2914  42.285  4.1147  3.526344       8.372327  
1 1 1 4   57  16 o 169.720 3.5281  15647.55   648.554  16385.57   1310.03  15407.95   746.446  172.897 6.9956  168.326 4.0943  4.571243       8.105658  
1 1 1 4   57  17 o 51.417  3.2894  1442.31    182.228  1139.81    367.830  1540.71    209.781  44.829  7.8623  53.103  3.6699  -8.273506      8.676636  
1 1 1 4   57  18 o 152.892 3.3388  12711.61   552.895  14067.57   1134.15  12288.90   633.239  159.904 6.5484  150.217 3.8920  9.687485       7.617755  
1 1 1 4   57  19 o 74.741  3.0654  3037.41    248.148  3554.48    561.594  2911.97    276.617  80.032  6.5357  73.137  3.4920  6.895309       7.410090  
1 1 1 4   57  20 f 44.850  1.8921  1091.39    91.912   1051.75    448.904  1093.12    93.901   42.203  9.9779  44.884  1.9315  -2.681637      10.16314  
1 1 1 4   57  21 o 72.479  2.5259  2855.74    198.291  2910.16    544.815  2847.43    212.892  71.921  7.0860  72.352  2.7167  -0.4312057     7.588916  
1 1 1 4   57  22 o 107.927 3.0490  6349.75    356.423  6362.27    752.753  6346.13    404.659  106.597 6.5516  107.794 3.4660  -1.196945      7.411915  
1 1 1 4   57  23 o 22.003  1.8927  264.905    44.667   227.651    419.437  265.332    44.922   25.216  10.104  22.020  1.9022  3.196333       10.28114  
1 1 1 4   57  24 o 35.359  2.0531  682.194    78.289   592.575    448.022  685.016    79.512   31.783  10.847  35.429  2.0812  -3.645800      11.04480  
1 1 1 4   57  25 o 84.791  3.2955  3942.34    302.650  3739.93    619.832  4005.71    346.802  80.473  7.1870  85.313  3.7532  -4.839966      8.107991  
1 1 1 4   57  26 o 46.422  4.6163  1215.56    229.026  1624.99    477.217  1093.04    261.055  51.262  8.9190  43.562  5.6672  7.700771       10.56714  
1 1 1 4   57  27 o ?       ?       -220.8468  34.910   0.0000     0.0000   -220.8468  34.910   ?       ?       ?       ?       0.000000       ?         
1 1 1 4   57  28 o 20.196  8.4354  141.944    307.930  0.0000     0.0000   141.944    307.930  ?       ?       20.196  8.4354  0.000000       8.435409  
1 1 1 4   57  29 o 55.768  6.8489  1923.97    404.996  0.0000     0.0000   1923.97    404.996  ?       ?       55.768  6.8489  0.000000       6.848941  
1 1 1 4   57  30 o 45.900  7.6474  1373.52    366.814  0.0000     0.0000   1373.52    366.814  ?       ?       45.900  7.6474  0.000000       7.647408  
1 1 1 4   57  31 o 40.143  9.3760  1163.88    400.281  0.0000     0.0000   1163.88    400.281  ?       ?       40.143  9.3760  0.000000       9.375970  
1 1 1 4   58  0  o 131.292 3.0030  9340.16    427.030  9240.91    602.734  9440.20    605.095  130.556 4.2625  131.957 4.2337  -1.401260      6.007730  
1 1 1 4   58  1  o 136.801 3.1383  10141.09   465.004  9856.32    657.510  10426.04   657.720  134.824 4.5026  138.670 4.3791  -3.846573      6.280951  
1 1 1 4   58  2  o 150.289 3.2819  12240.13   534.227  12101.11   755.236  12379.35   755.788  149.382 4.6678  151.092 4.6184  -1.709778      6.566424  
1 1 1 4   58  3  o 407.062 6.8275  89999.67   3010.18  91076.47   4258.18  88924.04   4255.88  408.899 9.6147  404.011 9.7258  4.888031       13.67607  
1 1 1 4   58  4  f 162.921 3.4096  14385.36   601.651  14498.09   852.509  14273.51   849.227  163.497 4.8141  162.225 4.8332  1.272232       6.821734  
1 1 1 4   58  5  o 185.085 3.6801  18568.27   737.741  17693.11   1044.03  19441.09   1042.62  180.581 5.3379  189.307 5.0850  -8.726669      7.372252  
1 1 1 4   58  6  o 108.041 2.8506  6325.10    333.583  6200.70    473.798  6447.38    469.742  106.942 4.0905  109.052 3.9770  -2.109955      5.705157  
1 1 1 4   58  7  o 147.981 3.2036  11868.05   513.463  11926.37   730.351  11811.05   722.013  148.287 4.5473  147.570 4.5173  0.7171783      6.409696  
1 1 1 4   58  8  o 218.923 4.0986  25989.68   971.838  26126.52   1377.27  25853.98   1371.52  219.354 5.7970  218.206 5.8032  1.147720       8.202572  
1 1 1 4   58  9  o 107.954 2.9157  6315.88    340.917  6432.85    497.783  6212.54    467.866  108.907 4.2200  107.032 4.0359  1.874229       5.839245  
1 1 1 4   58  10 o 15.326  6.2781  42.007     166.116  171.049    309.538  -10.1896   196.867  22.598  8.7947  15.447  6.6106  7.150758       11.00213  
1 1 1 4   58  11 o 267.091 6.8152  38820.37   1971.56  40202.40   2791.84  37445.50   2784.60  271.186 9.5050  261.638 9.8263  9.547546       13.67122  
1 1 1 4   58  12 o 394.382 7.7278  84834.30   3300.99  83629.57   4044.93  87236.41   5711.65  390.837 9.5553  397.181 13.277  -6.343201      16.35805  
1 1 1 4   58  13 o 202.763 4.5491  22330.57   999.046  21074.96   1734.79  22953.63   1222.03  196.340 8.1577  205.434 5.4921  -9.093643      9.834176  
1 1 1 4   58  14 o 200.271 3.8963  21778.93   845.159  21342.09   1693.45  21923.82   975.303  197.430 7.9193  200.850 4.4833  -3.419205      9.100336  
1 1 1 4   58  15 o 134.904 3.1212  9876.47    456.061  10327.84   921.666  9730.12    524.815  137.531 6.1873  133.852 3.6200  3.678116       7.168523  
1 1 1 4   58  16 o 144.805 3.3038  11389.07   518.160  11183.01   1019.84  11460.77   601.595  142.865 6.5908  145.188 3.8256  -2.322693      7.620625  
1 1 1 4   58  17 o 96.971  2.9926  5107.47    314.307  5418.69    686.568  5024.96    353.528  99.155  6.4275  96.144  3.3949  3.011604       7.269021  
1 1 1 4   58  18 o 98.995  2.8692  5324.22    307.636  5217.75    699.430  5349.75    342.549  97.096  6.6916  99.195  3.1883  -2.099052      7.412396  
1 1 1 4   58  19 o 85.726  3.1069  3997.20    288.474  3336.95    622.170  4178.00    325.586  77.171  7.5399  87.601  3.4315  -10.42977      8.284078  
1 1 1 4   58  20 o 14.337  6.1367  -3.2860    169.709  -384.9758  413.335  74.106     186.121  18.015  8.4391  16.676  6.7132  1.338905       10.78356  
1 1 1 4   58  21 o 86.577  3.0401  4082.47    285.077  4008.68    619.871  4102.27    321.042  84.575  6.8250  86.722  3.4179  -2.146591      7.633010  
1 1 1 4   58  22 o 55.695  3.7930  1705.32    227.446  2007.18    489.808  1622.33    256.813  59.109  7.8445  54.173  4.4153  4.936504       9.001695  
1 1 1 4   58  23 o 61.775  3.5168  2095.40    234.333  2313.07    511.179  2037.48    263.670  63.402  7.5951  60.783  4.0279  2.619267       8.597057  
1 1 1 4   58  24 o 73.480  3.4051  2958.44    270.998  2459.91    563.514  3108.42    309.086  64.808  8.2122  75.117  3.8115  -10.30871      9.053557  
1 1 1 4   58  25 o 64.933  3.5442  2324.97    248.320  2674.82    535.303  2229.03    280.304  67.714  7.4203  63.381  4.1052  4.332706       8.480193  
1 1 1 4   58  26 o 23.273  1.4372  295.428    36.049   370.681    433.508  294.904    36.175   26.633  10.396  23.251  1.4436  3.381470       10.49573  
1 1 1 4   58  27 o 27.706  8.0497  489.329    255.919  0.0000     0.0000   489.329    255.919  ?       ?       27.706  8.0497  0.000000       8.049693  
1 1 1 4   58  28 o 26.979  9.6333  478.375    355.755  0.0000     0.0000   478.375    355.755  ?       ?       26.979  9.6333  0.000000       9.633297  
1 1 1 4   58  29 o 19.436  8.5643  56.379     350.901  0.0000     0.0000   56.379     350.901  ?       ?       19.436  8.5643  0.000000       8.564303  
1 1 1 4   58  30 o 18.758  8.5912  -46.8829   393.551  0.0000     0.0000   -46.8829   393.551  ?       ?       18.758  8.5912  0.000000       8.591163  
1 1 1 4   59  0  o 42.199  3.3586  971.168    152.237  1043.98    205.668  882.922    226.416  43.658  4.4099  39.986  5.3631  3.671577       6.943314  
1 1 1 4   59  1  o 260.513 4.7142  36805.35   1330.18  36215.99   1882.37  37393.21   1879.96  258.231 6.7302  262.407 6.6146  -4.176178      9.436525  
1 1 1 4   59  2  o 308.792 5.3762  51733.94   1798.10  52362.45   2544.05  51106.57   2541.74  310.381 7.5676  306.624 7.6534  3.757507       10.76308  
1 1 1 4   59  3  o 226.760 4.2551  27879.52   1045.08  27440.79   1479.22  28316.77   1476.72  224.832 6.0744  228.402 5.9694  -3.569763      8.516568  
1 1 1 4   59  4  o 354.022 6.0954  68042.28   2337.24  68897.59   3306.51  67188.18   3304.19  355.807 8.5800  351.345 8.6828  4.462433       12.20684  
1 1 1 4   59  5  o 173.499 3.4410  16315.11   646.620  16954.22   917.728  15685.02   911.226  176.796 4.7926  170.041 4.9477  6.755127       6.888299  
1 1 1 4   59  6  o 66.552  2.8183  2399.99    203.149  2483.05    290.606  2320.61    284.098  67.556  3.9893  65.297  4.0368  2.258911       5.675429  
1 1 1 4   59  7  o 115.279 2.9168  7201.56    364.184  6867.70    517.005  7530.38    513.086  112.534 4.2417  117.846 4.0198  -5.312599      5.843874  
1 1 1 4   59  8  o 236.206 4.3528  30262.21   1113.60  31619.72   1579.08  28919.08   1570.70  241.270 6.0427  230.708 6.2858  10.56192       8.719260  
1 1 1 4   59  9  o 176.458 3.5997  16881.75   687.973  17132.23   980.008  16638.37   966.026  177.660 5.0929  175.081 5.0942  2.579468       7.203435  
1 1 1 4   59  10 o 198.901 4.4873  21467.37   966.703  19616.79   1678.76  22385.44   1182.42  189.697 8.1707  203.021 5.3773  -13.32373      9.781357  
1 1 1 4   59  11 o 82.315  3.4697  3674.35    309.348  3123.61    533.220  3953.75    379.796  75.481  6.5883  85.364  4.1077  -9.883583      7.764006  
1 1 1 4   59  12 o 175.968 3.6081  16797.49   687.669  17891.66   985.063  15757.37   960.427  181.466 5.0119  170.277 5.2076  11.18927       7.227584  
1 1 1 4   59  13 o 112.702 3.4259  6891.27    418.195  7172.54    734.013  6756.08    508.861  114.617 5.9330  111.538 4.2122  3.078972       7.276164  
1 1 1 4   59  14 o 208.454 4.0106  23604.92   905.505  23967.20   1815.01  23484.87   1044.82  209.082 8.0148  207.814 4.6419  1.268494       9.261977  
1 1 1 4   59  15 o 169.112 3.6415  15536.53   666.994  14350.89   1276.24  15982.05   782.338  161.772 7.2838  171.429 4.2135  -9.656769      8.414738  
1 1 1 4   59  16 o 67.697  3.0228  2488.54    221.643  2028.26    439.971  2645.08    256.579  60.414  6.8445  69.770  3.3953  -9.355156      7.640429  
1 1 1 4   59  17 o 110.040 3.1094  6579.70    370.598  6177.38    780.065  6696.98    421.163  105.729 6.8487  110.966 3.5042  -5.237152      7.693141  
1 1 1 4   59  18 o 28.551  5.6988  462.603    170.055  863.305    434.614  390.167    184.788  38.441  10.251  26.113  6.5460  12.32764       12.16254  
1 1 1 4   59  19 o 93.970  2.8045  4800.00    285.440  5056.84    665.799  4742.17    315.948  95.475  6.4768  93.360  3.1245  2.114830       7.191109  
1 1 1 4   59  20 o 117.918 3.1432  7571.21    401.438  7736.02    831.201  7521.08    458.450  117.967 6.5308  117.426 3.6046  0.5414810      7.459556  
1 1 1 4   59  21 o 108.603 3.0820  6426.89    362.525  6500.72    761.654  6405.26    412.212  107.883 6.5493  108.320 3.5135  -0.4370804     7.432236  
1 1 1 4   59  22 o 49.552  3.8466  1352.77    204.829  860.428    471.595  1467.25    227.397  37.619  10.927  51.558  4.1061  -13.93938      11.67264  
1 1 1 4   59  23 o 31.240  6.0412  562.916    197.016  842.477    434.829  490.700    221.002  37.044  10.407  28.894  7.1102  8.150312       12.60410  
1 1 1 4   59  24 o 34.286  5.7761  674.563    206.870  505.939    445.884  720.816    233.524  30.072  10.780  35.281  6.3444  -5.208786      12.50818  
1 1 1 4   59  25 o 50.869  2.4203  1411.96    133.350  1363.68    576.241  1414.69    137.070  45.531  11.640  50.908  2.4859  -5.376762      11.90255  
1 1 1 4   59  26 o 15.549  6.7146  7.9074     206.610  523.045    522.100  -87.7432   224.976  29.598  11.449  14.638  6.6224  14.95991       13.22629  
1 1 1 4   59  27 o 19.767  8.2644  121.903    295.989  0.0000     0.0000   121.903    295.989  ?       ?       19.767  8.2644  0.000000       8.264436  
1 1 1 4   59  28 o 17.955  8.1867  -89.7438   352.232  0.0000     0.0000   -89.7438   352.232  ?       ?       17.955  8.1867  0.000000       8.186660  
1 1 1 4   59  29 o 35.756  9.7636  920.279    388.763  0.0000     0.0000   920.279    388.763  ?       ?       35.756  9.7636  0.000000       9.763631  
1 1 1 4   59  30 o 23.014  9.4403  303.755    376.243  0.0000     0.0000   303.755    376.243  ?       ?       23.014  9.4403  0.000000       9.440324  
1 1 1 4   60  0  o 189.619 4.3204  19495.29   887.311  18943.69   1539.83  19769.51   1085.69  186.680 7.6156  190.893 5.2510  -4.213165      9.250450  
1 1 1 4   60  1  o 194.999 3.7547  20611.24   793.008  20888.45   1121.50  20334.05   1121.47  196.218 5.2770  193.592 5.3485  2.626236       7.513541  
1 1 1 4   60  2  o 343.839 6.4088  64199.56   2386.73  63018.45   3679.99  65057.11   3135.68  340.001 9.9930  345.796 8.3722  -5.795044      13.03666  
1 1 1 4   60  3  o 260.356 4.6880  36763.98   1321.98  37349.83   1871.08  36180.03   1868.06  262.232 6.5877  258.082 6.6829  4.150269       9.383990  
1 1 1 4   60  4  o 232.363 4.3002  29277.54   1082.24  30312.06   1532.36  28247.98   1528.68  236.289 5.9875  228.083 6.1880  8.206238       8.610588  
1 1 1 4   60  5  o 558.002 10.110  169879.59  6110.19  171457.91  9487.33  168761.00  7987.24  557.675 15.707  554.665 13.295  3.010132       20.57843  
1 1 1 4   60  6  o 111.287 2.8795  6711.31    347.082  6682.63    494.628  6739.13    487.154  111.012 4.1137  111.483 4.0345  -0.4711075     5.761928  
1 1 1 4   60  7  o 34.195  3.8373  641.961    139.669  449.925    215.303  781.492    183.524  28.218  7.0616  37.678  4.5922  -9.460089      8.423444  
1 1 1 4   60  8  f 108.620 2.9456  6394.17    346.537  6460.86    502.340  6333.62    478.672  109.141 4.2495  108.067 4.0895  1.073891       5.897677  
1 1 1 4   60  9  o 139.410 3.6523  10538.44   551.483  11080.88   973.168  10281.85   669.331  142.775 6.2931  137.658 4.4892  5.117126       7.730238  
1 1 1 4   60  10 o 163.540 4.8385  14519.76   857.052  15436.50   1221.31  13630.31   1203.00  168.434 6.6947  158.236 7.0193  10.19751       9.699917  
1 1 1 4   60  11 o 141.384 3.7717  10844.04   577.570  10681.59   714.132  11151.24   982.055  140.255 4.7010  143.149 6.3340  -2.894531      7.887889  
1 1 1 4   60  12 o 54.436  2.2551  1605.94    132.962  1623.88    317.310  1602.11    146.438  54.374  5.4618  54.367  2.4868  0.6824493E-02  6.001304  
1 1 1 4   60  13 o 89.127  3.3265  4310.17    321.120  4434.86    568.099  4251.62    389.276  90.039  5.8572  88.478  4.0621  1.560814       7.127958  
1 1 1 4   60  14 o 113.177 2.9833  6949.73    365.704  6948.85    739.010  6950.02    420.845  112.680 6.0777  113.145 3.4341  -0.4654388     6.980840  
1 1 1 4   60  15 o 129.763 3.1093  9141.77    437.007  9666.02    877.253  8968.73    503.993  132.961 6.0916  128.472 3.6220  4.488983       7.087054  
1 1 1 4   60  16 o 120.691 3.0211  7911.10    394.917  7068.49    794.861  8187.27    455.056  113.315 6.5036  122.730 3.4233  -9.414345      7.349551  
1 1 1 4   60  17 o 207.462 4.2756  23466.13   960.736  24942.77   1834.85  22908.38   1127.68  212.125 7.9862  204.696 5.0863  7.428513       9.468349  
1 1 1 4   60  18 o 79.654  3.1473  3450.44    271.531  3846.61    591.674  3344.75    305.613  83.261  6.6156  78.374  3.6003  4.887268       7.531761  
1 1 1 4   60  19 o 102.505 3.0620  5717.15    339.951  5470.31    720.252  5787.90    385.605  99.158  6.7464  103.071 3.4541  -3.912796      7.579272  
1 1 1 4   60  20 o 63.746  2.5259  2208.73    174.400  1855.93    530.940  2251.40    184.645  56.653  8.9499  64.347  2.6493  -7.693821      9.333823  
1 1 1 4   60  21 o 36.401  2.2094  722.563    86.693   478.608    457.526  731.648    88.293   30.297  10.913  36.626  2.2364  -6.328804      11.14011  
1 1 1 4   60  22 o 73.013  2.6514  2903.25    209.677  3005.42    563.187  2886.82    225.919  72.663  7.2529  72.772  2.8663  -0.1088867     7.798746  
1 1 1 4   60  23 o 66.877  2.4922  2436.35    180.526  2277.82    529.705  2457.18    192.021  62.578  7.9982  67.139  2.6406  -4.560684      8.422855  
1 1 1 4   60  24 o 24.003  1.4630  313.890    37.853   182.085    429.877  314.920    38.001   24.422  10.063  24.042  1.4663  0.3799133      10.16903  
1 1 1 4   60  25 o 20.811  7.4327  227.207    211.796  425.955    433.837  165.017    242.681  27.956  10.528  19.928  7.7785  8.027803       13.08998  
1 1 1 4   60  26 o 28.869  7.1011  512.552    220.505  137.619    450.819  630.459    252.810  23.174  9.9628  31.909  7.4502  -8.735060      12.44033  
1 1 1 4   60  27 o 20.626  8.4237  170.879    297.939  0.0000     0.0000   170.879    297.939  ?       ?       20.626  8.4237  0.000000       8.423698  
1 1 1 4   60  28 o 18.173  8.0893  -6.0858    320.897  0.0000     0.0000   -6.0858    320.897  ?       ?       18.173  8.0893  0.000000       8.089285  
1 1 1 4   60  29 o 18.917  8.3694  42.373     338.473  0.0000     0.0000   42.373     338.473  ?       ?       18.917  8.3694  0.000000       8.369442  
1 1 1 4   60  30 o 24.596  9.7986  394.831    392.175  0.0000     0.0000   394.831    392.175  ?       ?       24.596  9.7986  0.000000       9.798593  
1 1 1 4   61  0  o 200.166 4.4844  21727.70   972.215  21529.25   1689.60  21825.92   1188.72  198.972 7.8401  200.551 5.4725  -1.579697      9.561149  
1 1 1 4   61  1  o 287.170 5.8345  44763.81   1814.73  46237.15   3148.43  44030.79   2220.75  291.208 9.9821  284.636 7.2034  6.571594       12.30979  
1 1 1 4   61  2  o 211.657 4.0212  24288.05   921.837  24547.13   1304.07  24029.29   1303.28  212.666 5.6615  210.406 5.7188  2.259872       8.047238  
1 1 1 4   61  3  o 144.941 3.2075  11385.15   503.535  11461.51   716.447  11310.61   707.844  145.372 4.5502  144.413 4.5254  0.9589996      6.417484  
1 1 1 4   61  4  o 80.180  2.8165  3483.54    244.592  3399.24    349.543  3564.42    342.381  79.072  4.0954  81.083  3.8986  -2.011322      5.654331  
1 1 1 4   61  5  o 235.888 4.3322  30177.18   1106.83  30963.93   1566.40  29392.66   1564.19  238.778 6.0567  232.624 6.2082  6.153900       8.673265  
1 1 1 4   61  6  o 286.756 5.4087  44636.19   1679.85  43608.63   2576.42  45396.05   2215.56  282.966 8.4064  288.944 7.0794  -5.978699      10.99030  
1 1 1 4   61  7  o 230.950 4.2857  28930.08   1072.03  29578.36   1518.16  28285.33   1514.02  233.349 6.0068  228.178 6.1261  5.171371       8.579666  
1 1 1 4   61  8  o 233.052 4.9924  29481.08   1260.19  29969.20   2193.09  29240.46   1539.78  234.438 8.6369  231.964 6.1287  2.474075       10.59042  
1 1 1 4   61  9  o 193.010 4.3764  20213.58   914.884  21024.83   1594.64  19815.53   1117.01  196.476 7.4934  191.003 5.3994  5.473145       9.236100  
1 1 1 4   61  10 o 58.804  4.4806  1887.79    283.224  1838.33    423.723  1927.72    380.786  57.699  6.9182  59.238  6.0184  -1.539501      9.169636  
1 1 1 4   61  11 o 121.797 3.5670  8047.20    470.551  8004.40    581.512  8128.40    800.865  121.418 4.4219  122.217 6.0500  -0.7991867     7.493725  
1 1 1 4   61  12 o 152.041 3.4441  12542.21   567.155  12737.99   782.903  12326.00   822.734  153.098 4.7214  150.564 5.0451  2.533615       6.909730  
1 1 1 4   61  13 o 242.317 4.7510  31935.20   1246.91  31991.85   1657.73  31861.38   1892.24  242.133 6.3211  241.355 7.2385  0.7778168      9.609976  
1 1 1 4   61  14 o 101.989 2.8991  5644.02    320.245  5789.27    650.940  5597.63    367.839  102.821 5.8694  101.536 3.3448  1.284538       6.755557  
1 1 1 4   61  15 o 134.557 3.1493  9832.56    458.981  9486.66    921.134  9946.81    529.380  131.581 6.4634  135.277 3.6130  -3.695740      7.404670  
1 1 1 4   61  16 o 17.807  6.0916  159.649    141.306  208.581    470.435  154.797    148.147  26.643  10.691  17.812  6.2298  8.831131       12.37409  
1 1 1 4   61  17 o 101.161 3.0393  5561.75    333.006  5799.78    705.195  5493.44    377.780  102.497 6.3840  100.484 3.4711  2.012886       7.266609  
1 1 1 4   61  18 o 84.041  3.1159  3841.59    283.628  3837.24    614.549  3842.76    319.715  83.030  6.8961  84.005  3.5139  -0.9754333     7.739717  
1 1 1 4   61  19 o 78.198  3.1058  3328.22    263.046  2791.27    587.520  3462.84    294.178  70.276  7.8530  79.723  3.4069  -9.447197      8.560211  
1 1 1 4   61  20 o 15.528  6.1992  70.001     157.276  397.187    426.323  18.457     169.211  28.552  10.496  14.762  6.2149  13.78952       12.19832  
1 1 1 4   61  21 o 15.428  6.1512  71.024     154.674  395.968    426.047  21.694     166.000  28.356  10.481  14.673  6.1652  13.68337       12.15997  
1 1 1 4   61  22 o 46.224  4.1363  1182.49    204.895  1480.85    480.017  1116.02    226.572  49.915  9.2184  44.742  4.7480  5.173557       10.36927  
1 1 1 4   61  23 o 47.434  4.3099  1249.95    219.008  1087.57    478.303  1293.03    246.351  41.849  10.554  48.111  4.7913  -6.261360      11.59068  
1 1 1 4   61  24 o 21.913  7.4898  261.488    213.615  586.841    524.706  196.851    233.874  31.915  11.658  20.607  7.7360  11.30743       13.99125  
1 1 1 4   61  25 o 25.873  7.4887  404.231    221.867  -7.5555    442.316  542.670    256.464  21.716  9.5898  29.749  7.8465  -8.032869      12.39082  
1 1 1 4   61  26 o 21.187  1.4012  245.113    31.973   -54.5714   435.038  246.741    32.060   20.549  9.2606  21.257  1.4003  -0.7087154     9.365900  
1 1 1 4   61  27 o 28.812  8.4789  540.978    282.328  0.0000     0.0000   540.978    282.328  ?       ?       28.812  8.4789  0.000000       8.478919  
1 1 1 4   61  28 o 19.108  8.5019  14.448     354.094  0.0000     0.0000   14.448     354.094  ?       ?       19.108  8.5019  0.000000       8.501902  
1 1 1 4   61  29 o 24.528  9.6516  381.468    376.174  0.0000     0.0000   381.468    376.174  ?       ?       24.528  9.6516  0.000000       9.651623  
1 1 1 4   61  30 o 22.166  9.3482  241.799    383.945  0.0000     0.0000   241.799    383.945  ?       ?       22.166  9.3482  0.000000       9.348248  
1 1 1 4   62  0  o 137.565 4.4779  10263.02   667.190  9567.67    942.579  10961.25   944.523  132.714 6.5574  142.078 6.1378  -9.363754      8.981780  
1 1 1 4   62  1  o 174.182 4.1354  16450.48   780.180  15376.54   1354.44  16983.74   954.421  168.169 7.4360  176.933 4.9804  -8.763809      8.949787  
1 1 1 4   62  2  o 301.068 6.1252  49221.79   1997.34  49737.57   3464.84  48965.10   2444.36  301.819 10.599  300.073 7.5209  1.745758       12.99626  
1 1 1 4   62  3  o 208.924 3.9853  23666.62   901.825  23437.59   1276.22  23895.04   1274.53  207.784 5.6708  209.807 5.6087  -2.023453      7.975888  
1 1 1 4   62  4  o 249.480 4.5498  33760.78   1229.41  34112.12   1739.11  33409.80   1738.19  250.577 6.4079  247.976 6.4717  2.600784       9.107371  
1 1 1 4   62  5  o 288.897 5.1590  45295.37   1614.29  45368.21   2284.46  45222.72   2281.45  288.820 7.3027  288.357 7.3049  0.4638062      10.32913  
1 1 1 4   62  6  o 147.829 3.2490  11845.20   520.206  11954.84   737.538  11736.66   733.842  148.446 4.5872  147.084 4.6064  1.361938       6.500887  
1 1 1 4   62  7  o 178.636 4.1769  17308.73   808.148  16694.55   1407.97  17610.49   986.907  175.140 7.4223  180.120 5.0588  -4.980255      8.982293  
1 1 1 4   62  8  o 276.390 6.2342  41529.20   1866.26  38952.89   4225.35  42153.61   2080.16  264.955 14.783  278.340 6.9000  -13.38452      16.31376  
1 1 1 4   62  9  o 84.366  4.0954  3861.61    374.226  4340.16    548.929  3446.07    511.520  89.182  5.7129  79.391  5.9929  9.791260       8.279600  
1 1 1 4   62  10 o 69.003  3.6212  2589.89    269.692  2817.84    350.428  2258.73    422.373  71.901  4.5229  64.140  6.1555  7.761032       7.638534  
1 1 1 4   62  11 o 118.206 3.0571  7577.20    391.395  7474.10    559.385  7676.08    547.830  117.313 4.4024  118.899 4.2540  -1.585709      6.121922  
1 1 1 4   62  12 o 156.774 3.4167  13337.45   580.157  12762.65   829.341  13888.29   811.870  153.181 4.9987  159.835 4.6897  -6.654083      6.854232  
1 1 1 4   62  13 o 129.105 3.1364  9045.07    438.572  8712.07    630.079  9358.03    610.838  126.558 4.5966  131.202 4.2985  -4.644005      6.293314  
1 1 1 4   62  14 o 148.380 3.2628  11955.29   524.366  11944.62   1059.47  11958.75   603.461  147.695 6.6230  148.337 3.7560  -0.6413879     7.613896  
1 1 1 4   62  15 o 41.017  3.8638  923.227    169.628  1242.73    344.346  820.852    194.918  47.073  6.9641  38.511  4.7755  8.562138       8.444136  
1 1 1 4   62  16 o 57.981  2.1635  1823.62    135.870  1398.87    536.574  1852.72    140.447  49.031  10.425  58.440  2.2189  -9.408478      10.65833  
1 1 1 4   62  17 f 90.907  3.0054  4491.71    295.919  4186.50    622.029  4580.99    336.428  86.910  6.6587  91.761  3.3850  -4.851303      7.469682  
1 1 1 4   62  18 o 122.395 3.1428  8150.78    416.632  8430.44    870.926  8067.79    474.440  123.357 6.5419  121.681 3.5999  1.676041       7.466928  
1 1 1 4   62  19 o 145.912 3.2972  11597.72   521.088  10998.76   1072.64  11782.74   596.163  140.458 7.0735  146.946 3.7457  -6.488770      8.004047  
1 1 1 4   62  20 o 86.768  3.0803  4101.70    289.484  4526.62    629.309  3987.66    326.026  90.015  6.4984  85.475  3.5216  4.539436       7.391322  
1 1 1 4   62  21 o 35.093  5.0090  692.272    184.985  286.909    456.667  771.844    202.328  26.948  10.625  37.045  5.1847  -10.09644      11.82216  
1 1 1 4   62  22 o 85.662  3.1134  4007.43    288.866  4538.81    636.066  3869.36    324.230  89.650  6.5969  84.065  3.5610  5.585571       7.496655  
1 1 1 4   62  23 o 29.707  6.7256  517.383    211.369  413.425    453.086  546.301    238.966  28.594  10.761  30.392  7.3419  -1.798056      13.02699  
1 1 1 4   62  24 o 50.714  4.3189  1433.80    234.972  1601.47    494.845  1384.98    266.992  51.216  9.2615  49.582  5.0418  1.634056       10.54489  
1 1 1 4   62  25 o 36.468  2.0383  727.329    80.185   797.206    464.078  725.178    81.410   34.592  11.006  36.407  2.0731  -1.815437      11.19956  
1 1 1 4   62  26 o 42.201  6.1777  1057.33    274.013  0.0000     0.0000   1057.33    274.013  ?       ?       42.201  6.1777  0.000000       6.177716  
1 1 1 4   62  27 o 27.208  8.5313  481.673    279.743  0.0000     0.0000   481.673    279.743  ?       ?       27.208  8.5313  0.000000       8.531329  
1 1 1 4   62  28 o 24.085  9.5015  339.883    365.431  0.0000     0.0000   339.883    365.431  ?       ?       24.085  9.5015  0.000000       9.501498  
1 1 1 4   62  29 o 33.016  9.5162  788.701    358.940  0.0000     0.0000   788.701    358.940  ?       ?       33.016  9.5162  0.000000       9.516156  
1 1 1 4   63  0  o 348.097 7.8007  65922.91   2941.06  67203.38   3821.51  64062.71   4606.08  350.929 10.054  341.943 12.437  8.986084       15.99247  
1 1 1 4   63  1  o 281.450 7.1254  43064.86   2172.10  43074.45   3072.80  43055.28   3070.83  280.935 10.099  280.874 10.094  0.6158447E-01  14.27846  
1 1 1 4   63  2  o 209.686 4.6989  23851.69   1067.18  21708.84   1850.42  24919.61   1306.31  199.652 8.5571  214.249 5.6293  -14.59743      10.24271  
1 1 1 4   63  3  o 121.312 3.4229  7977.08    449.746  8817.91    789.823  7573.63    547.109  127.440 5.7221  118.174 4.2745  9.266090       7.142373  
1 1 1 4   63  4  o 113.990 3.3905  7043.31    418.602  6709.45    739.175  7200.93    507.893  110.966 6.1746  115.235 4.0693  -4.268791      7.394917  
1 1 1 4   63  5  o 221.122 4.8063  26530.52   1151.10  27463.28   2000.71  26068.97   1407.37  224.555 8.2260  219.079 5.9311  5.476608       10.14130  
1 1 1 4   63  6  o 237.867 5.0944  30713.29   1312.50  29287.86   2279.68  31420.07   1605.25  231.690 9.0844  240.457 6.1636  -8.767090      10.97797  
1 1 1 4   63  7  o 155.445 3.8818  13104.83   653.548  13038.74   1134.64  13137.65   799.494  154.821 6.7664  155.583 4.7444  -0.7621002     8.263986  
1 1 1 4   63  8  o 188.374 5.3099  19274.65   1083.37  19177.13   1538.69  19370.52   1525.61  187.607 7.5724  188.566 7.4698  -0.9590302     10.63672  
1 1 1 4   63  9  o 90.020  4.0639  4397.20    396.231  5175.70    579.976  3715.80    542.599  97.429  5.5188  82.424  6.1216  15.00413       8.242004  
1 1 1 4   63  10 o 207.340 4.6275  23349.58   1039.20  22968.07   1276.33  24099.89   1789.94  205.478 5.7349  210.064 7.8671  -4.586395      9.735561  
1 1 1 4   63  11 o 136.239 3.1947  10068.45   471.418  10284.17   672.117  9859.56    661.385  137.578 4.5105  134.706 4.5331  2.872345       6.394847  
1 1 1 4   63  12 o 127.269 3.1064  8787.98    428.198  8821.33    616.799  8756.96    594.921  127.385 4.4705  126.935 4.3272  0.4503479      6.221746  
1 1 1 4   63  13 o 215.380 4.1209  25219.94   961.327  24462.24   1364.25  25967.24   1354.84  211.673 5.9505  218.150 5.7341  -6.477203      8.263688  
1 1 1 4   63  14 o 67.239  3.4447  2462.82    250.022  2350.90    446.267  2514.02    301.841  65.216  6.4004  67.851  4.1269  -2.635056      7.615489  
1 1 1 4   63  15 o 265.793 4.8176  38545.55   1386.90  39774.25   2788.55  38141.72   1598.64  267.026 9.6417  264.057 5.5896  2.968323       11.14480  
1 1 1 4   63  16 o 146.024 3.2680  11593.31   516.867  11984.87   1085.00  11478.37   587.855  147.508 6.7912  145.211 3.7377  2.297241       7.751781  
1 1 1 4   63  17 o 67.150  3.2049  2452.57    233.092  2603.16    505.516  2411.91    262.683  68.308  6.9286  66.447  3.6641  1.860970       7.837810  
1 1 1 4   63  18 o 63.206  3.3059  2181.13    225.529  2846.40    509.900  2019.33    251.463  71.422  6.6687  60.722  3.8433  10.69978       7.696896  
1 1 1 4   63  19 o 47.235  2.4139  1215.41    123.085  1268.82    489.288  1211.80    127.175  46.301  10.045  47.155  2.4989  -0.8537979     10.35163  
1 1 1 4   63  20 o 14.579  1.8454  117.191    28.487   34.360     425.794  117.564    28.551   22.776  9.7338  14.602  1.8466  8.173635       9.907379  
1 1 1 4   63  21 o 73.774  3.2976  2972.27    263.496  3473.11    577.541  2840.62    296.110  78.394  6.8712  71.922  3.8148  6.471855       7.859160  
1 1 1 4   63  22 o 34.547  4.9912  673.548    181.349  1075.49    465.513  601.633    196.905  41.819  10.337  32.384  5.8281  9.435223       11.86642  
1 1 1 4   63  23 o 46.689  2.5845  1192.17    130.190  1207.32    500.608  1191.07    134.829  43.957  10.631  46.650  2.6797  -2.693745      10.96364  
1 1 1 4   63  24 o 21.264  2.3943  249.753    54.184   570.506    453.178  245.101    54.576   30.853  10.888  21.055  2.4383  9.797621       11.15758  
1 1 1 4   63  25 o 32.647  6.6199  640.328    226.070  836.815    462.470  578.633    259.143  35.111  10.963  30.508  7.8094  4.603495       13.45992  
1 1 1 4   63  26 o 38.459  7.9521  931.127    320.308  0.0000     0.0000   931.127    320.308  ?       ?       38.459  7.9521  0.000000       7.952136  
1 1 1 4   63  27 o 24.034  9.2862  329.689    343.168  0.0000     0.0000   329.689    343.168  ?       ?       24.034  9.2862  0.000000       9.286217  
1 1 1 4   63  28 o 35.620  9.6905  900.169    383.798  0.0000     0.0000   900.169    383.798  ?       ?       35.620  9.6905  0.000000       9.690495  
1 1 1 4   63  29 o 25.141  9.4187  423.470    346.331  0.0000     0.0000   423.470    346.331  ?       ?       25.141  9.4187  0.000000       9.418670  
1 1 1 4   64  0  o 204.766 4.5477  22743.74   1008.60  22287.94   1232.23  23669.03   1755.68  202.618 5.6149  208.566 7.7720  -5.947693      9.588060  
1 1 1 4   64  1  o 176.109 4.1268  16818.47   787.170  16813.68   962.568  16828.15   1367.74  176.025 5.0488  175.920 7.1782  0.1046600      8.775921  
1 1 1 4   64  2  o 290.468 7.3280  45888.15   2305.44  44308.98   3261.75  47464.68   3259.01  284.767 10.575  294.823 10.206  -10.05597      14.69684  
1 1 1 4   64  3  o 135.048 4.6172  9894.16    675.370  9454.53    1005.60  10255.41   911.545  131.671 7.0772  137.400 6.1252  -5.729721      9.359769  
1 1 1 4   64  4  o 295.850 5.9983  47547.25   1922.07  48551.35   3336.09  47048.34   2351.60  298.055 10.334  294.061 7.3834  3.994476       12.70068  
1 1 1 4   64  5  o 156.356 4.1072  13259.88   695.562  14175.84   1374.44  12944.53   806.455  161.336 7.8655  154.441 4.8211  6.894821       9.225439  
1 1 1 4   64  6  o 183.215 5.1975  18226.50   1031.40  18617.38   1463.75  17841.06   1453.55  184.933 7.3077  181.023 7.4136  3.910446       10.40979  
1 1 1 4   64  7  o 166.482 4.9353  15048.27   889.928  14436.28   1263.12  15651.46   1254.02  162.832 7.1620  169.588 6.8271  -6.756317      9.894669  
1 1 1 4   64  8  o 223.278 5.9737  27110.25   1444.63  26166.08   2046.20  28048.55   2039.83  218.862 8.6319  226.670 8.3086  -7.807846      11.98096  
1 1 1 4   64  9  o 276.751 5.7030  41655.74   1709.46  42858.67   2096.77  39271.20   2952.12  280.440 6.9030  267.465 10.191  12.97540       12.30849  
1 1 1 4   64  10 o 191.335 3.7725  19868.77   781.806  20226.51   1112.92  19520.24   1098.51  192.842 5.3283  189.441 5.3538  3.400665       7.553397  
1 1 1 4   64  11 o 81.253  2.9669  3580.99    261.101  3285.03    390.227  3820.89    351.333  77.595  4.6649  83.884  3.8669  -6.289787      6.059214  
1 1 1 4   64  12 o 134.498 3.1480  9816.97    458.580  10080.80   658.462  9568.49    639.035  136.149 4.4652  132.647 4.4479  3.502563       6.302575  
1 1 1 4   64  13 o 87.421  2.9583  4147.84    280.106  4303.04    415.454  4018.50    379.274  88.931  4.3132  85.962  4.0736  2.968880       5.932761  
1 1 1 4   64  14 o 191.137 4.3789  19897.71   906.528  19920.07   1576.08  19886.66   1108.19  190.138 7.6532  190.813 5.3621  -0.6753998     9.344666  
1 1 1 4   64  15 o 92.681  2.7382  4663.79    274.872  4976.23    640.547  4593.28    304.316  95.023  6.2588  91.949  3.0557  3.074692       6.964856  
1 1 1 4   64  16 o 82.419  3.1146  3692.52    278.038  2926.12    643.788  3868.24    308.270  72.081  8.4039  84.330  3.3750  -12.24854      9.056289  
1 1 1 4   64  17 o 76.510  2.6339  3180.03    218.268  3072.27    545.405  3200.58    238.172  74.239  6.8605  76.735  2.8657  -2.495346      7.434956  
1 1 1 4   64  18 o 77.844  3.1074  3297.93    261.998  3195.71    557.527  3326.90    296.812  75.614  6.8829  78.132  3.5074  -2.518440      7.725062  
1 1 1 4   64  19 o 49.599  3.8913  1352.28    207.367  1306.50    489.987  1362.26    228.874  46.974  9.9408  49.704  4.2936  -2.729919      10.82837  
1 1 1 4   64  20 o 30.011  5.4546  512.389    170.771  522.942    449.784  510.611    184.593  31.001  10.854  29.851  5.9184  1.150427       12.36300  
1 1 1 4   64  21 o 118.942 3.1053  7720.90    400.046  7216.38    851.455  7863.83    453.181  113.046 6.9883  119.917 3.4892  -6.871254      7.810932  
1 1 1 4   64  22 o 107.002 2.9880  6251.82    346.297  6195.82    768.907  6266.07    387.860  104.531 6.8289  107.012 3.3464  -2.481583      7.604766  
1 1 1 4   64  23 o 60.076  3.8462  1993.79    248.956  1350.24    532.808  2173.53    281.585  46.288  10.821  62.628  4.1751  -16.34063      11.59888  
1 1 1 4   64  24 o 37.751  5.8282  825.022    230.628  865.565    481.197  812.932    262.775  36.317  11.157  37.060  6.7969  -0.7431526     13.06424  
1 1 1 4   64  25 f 28.492  7.0533  498.521    216.502  160.451    463.451  592.894    244.863  23.682  10.139  30.956  7.4030  -7.273481      12.55409  
1 1 1 4   64  26 o 31.093  8.3700  624.000    288.115  0.0000     0.0000   624.000    288.115  ?       ?       31.093  8.3700  0.000000       8.369967  
1 1 1 4   64  27 o 46.036  7.3255  1319.70    353.020  0.0000     0.0000   1319.70    353.020  ?       ?       46.036  7.3255  0.000000       7.325504  
1 1 1 4   64  28 o 36.569  8.8410  912.048    346.312  0.0000     0.0000   912.048    346.312  ?       ?       36.569  8.8410  0.000000       8.840999  
1 1 1 4   64  29 o 37.011  9.7081  991.165    394.000  0.0000     0.0000   991.165    394.000  ?       ?       37.011  9.7081  0.000000       9.708079  
1 1 1 4   65  0  o 114.422 2.9612  7095.31    366.978  7179.70    518.459  7010.58    519.512  115.059 4.1603  113.694 4.2188  1.365562       5.925054  
1 1 1 4   65  1  o 119.384 3.4494  7726.16    446.029  7781.53    544.901  7613.74    776.467  119.782 4.2001  118.232 6.0840  1.549591       7.392975  
1 1 1 4   65  2  o 78.593  3.3982  3348.43    289.270  3517.40    344.657  2945.73    532.065  80.538  3.9511  73.298  6.7787  7.239342       7.846154  
1 1 1 4   65  3  o 181.455 5.2015  17874.18   1022.27  17639.06   1442.59  18111.34   1448.84  180.036 7.3980  182.438 7.3322  -2.402161      10.41591  
1 1 1 4   65  4  o 167.252 4.9725  15183.94   900.778  15523.44   1271.51  14841.89   1276.28  168.927 6.9495  165.157 7.1348  3.769974       9.959946  
1 1 1 4   65  5  o 279.147 7.1073  42408.12   2148.85  41150.21   3042.09  43660.81   3035.78  274.251 10.241  282.582 9.9187  -8.331238      14.25707  
1 1 1 4   65  6  o 234.447 6.1927  29886.60   1572.50  29128.88   2227.62  30639.21   2220.11  230.960 8.9050  236.928 8.6515  -5.966965      12.41556  
1 1 1 4   65  7  o 236.596 6.2390  30450.71   1598.79  29489.62   2264.60  31405.77   2257.49  232.273 9.0017  239.775 8.6926  -7.502243      12.51366  
1 1 1 4   65  8  o 61.865  3.5281  2082.73    235.427  1911.84    292.867  2394.86    395.807  59.158  4.6071  66.135  5.5776  -6.977276      7.234306  
1 1 1 4   65  9  o 160.534 3.4015  13980.03   591.432  14350.38   844.921  13624.23   828.154  162.510 4.8003  158.342 4.8289  4.168198       6.808847  
1 1 1 4   65  10 o 76.529  2.9895  3176.50    247.794  3324.66    374.184  3060.78    330.699  78.097  4.4420  74.962  4.0885  3.134758       6.037185  
1 1 1 4   65  11 o 79.748  2.8912  3449.75    249.724  3601.26    371.067  3324.31    337.624  81.295  4.2288  78.124  4.0035  3.171303       5.823306  
1 1 1 4   65  12 o 21.938  6.0716  270.764    149.164  64.843     240.310  399.830    190.252  18.425  7.5496  26.522  6.6386  -8.097019      10.05324  
1 1 1 4   65  13 o 101.108 2.9579  5549.49    323.916  5625.40    474.848  5483.42    442.983  101.659 4.3126  100.396 4.0738  1.263596       5.932479  
1 1 1 4   65  14 o 54.568  3.6971  1626.88    217.219  1468.74    392.896  1696.49    260.682  51.160  7.2973  55.635  4.3610  -4.474628      8.501098  
1 1 1 4   65  15 o 117.260 3.0359  7470.96    385.577  7408.11    809.897  7489.37    438.454  115.914 6.4769  117.348 3.4497  -1.433662      7.338261  
1 1 1 4   65  16 o 135.924 3.2131  10047.79   473.038  9795.52    969.682  10126.57   541.891  133.091 6.7489  136.369 3.6688  -3.277542      7.681660  
1 1 1 4   65  17 o 124.948 3.1608  8495.09    427.756  8437.09    873.199  8513.40    490.662  123.393 6.5571  124.989 3.6244  -1.596367      7.492167  
1 1 1 4   65  18 o 187.811 3.7815  19249.04   769.237  19620.57   1549.28  19127.49   886.187  187.431 7.6317  186.976 4.3759  0.4553223      8.797206  
1 1 1 4   65  19 o 84.065  3.0481  3849.33    277.537  4085.34    605.297  3786.51    312.300  85.470  6.5895  83.307  3.4612  2.163147       7.443153  
1 1 1 4   65  20 o 87.215  3.1857  4149.79    300.933  3717.43    649.786  4267.85    339.541  80.904  7.5006  88.369  3.5475  -7.464867      8.297256  
1 1 1 4   65  21 o 55.449  3.8124  1693.15    227.568  997.157    607.128  1806.91    245.463  39.984  12.573  57.247  3.9836  -17.26322      13.18935  
1 1 1 4   65  22 o 97.636  3.2227  5213.18    340.800  5326.65    711.089  5179.35    388.301  96.859  6.8218  97.172  3.6894  -0.3130569     7.755573  
1 1 1 4   65  23 o 49.614  4.5379  1375.29    241.150  1271.47    506.375  1405.74    274.246  44.869  10.590  49.950  5.1426  -5.081100      11.77266  
1 1 1 4   65  24 o 79.744  3.4564  3507.74    298.536  3323.25    623.177  3562.69    340.102  74.571  7.8326  80.159  3.9173  -5.588058      8.757594  
1 1 1 4   65  25 o 58.825  4.8474  1972.39    306.093  0.0000     0.0000   1972.39    306.093  ?       ?       58.825  4.8474  0.000000       4.847393  
1 1 1 4   65  26 o 34.140  8.5734  758.919    316.576  0.0000     0.0000   758.919    316.576  ?       ?       34.140  8.5734  0.000000       8.573358  
1 1 1 4   65  27 o 18.502  8.0343  53.108     299.126  0.0000     0.0000   53.108     299.126  ?       ?       18.502  8.0343  0.000000       8.034328  
1 1 1 4   65  28 o 57.051  7.2789  2052.85    439.525  0.0000     0.0000   2052.85    439.525  ?       ?       57.051  7.2789  0.000000       7.278860  
1 1 1 4   65  29 o 18.616  8.2379  38.976     328.080  0.0000     0.0000   38.976     328.080  ?       ?       18.616  8.2379  0.000000       8.237934  
1 1 1 4   66  0  o 223.249 4.2113  27034.22   1018.30  26930.85   1440.83  27137.38   1439.36  222.641 5.9750  223.496 5.9460  -0.8555603     8.429465  
1 1 1 4   66  1  o 85.145  2.7968  3928.90    257.925  3818.53    363.286  4041.07    366.254  83.910  3.9973  86.322  3.9173  -2.412926      5.596768  
1 1 1 4   66  2  o 87.638  3.2093  4163.37    304.631  4121.94    368.827  4252.31    540.367  87.181  3.9060  88.298  5.6804  -1.117081      6.893718  
1 1 1 4   66  3  o 61.523  3.5694  2059.24    236.832  2025.70    291.572  2124.27    406.026  60.941  4.4481  62.224  6.1031  -1.283188      7.552085  
1 1 1 4   66  4  o 141.511 3.7122  10859.82   568.977  10489.66   697.710  11594.70   983.083  139.025 4.6335  146.039 6.2151  -7.014160      7.752245  
1 1 1 4   66  5  o 244.230 5.1878  32395.46   1372.32  32675.34   1681.76  31837.76   2374.04  245.111 6.3348  241.407 9.0796  3.703873       11.07110  
1 1 1 4   66  6  o 295.988 6.0662  47646.38   1944.74  47436.47   2382.44  48065.52   3366.59  295.017 7.4560  296.041 10.499  -1.023712      12.87753  
1 1 1 4   66  7  o 159.324 3.9271  13773.72   677.669  13300.86   831.065  14712.02   1170.68  156.480 4.9035  164.372 6.5757  -7.892166      8.202686  
1 1 1 4   66  8  o 135.030 3.1284  9887.98    457.534  9943.28    649.443  9833.48    644.684  135.312 4.4313  134.564 4.4233  0.7485046      6.261174  
1 1 1 4   66  9  o 97.469  2.9095  5151.95    307.148  4980.50    449.678  5301.90    420.533  95.753  4.3359  98.821  3.9290  -3.068352      5.851248  
1 1 1 4   66  10 o 77.796  2.8808  3282.63    242.741  3592.40    365.900  3039.13    324.408  81.209  4.1741  74.692  4.0249  6.516174       5.798494  
1 1 1 4   66  11 o 146.389 3.2801  11632.56   520.069  11209.84   743.949  12036.58   727.310  143.515 4.7860  148.754 4.5142  -5.238876      6.579080  
1 1 1 4   66  12 o 158.936 3.4134  13720.64   587.590  13639.59   838.438  13798.88   823.713  158.219 4.8926  159.163 4.7782  -0.9435272     6.838782  
1 1 1 4   66  13 o 98.497  2.9642  5267.65    316.230  5098.31    463.810  5414.76    432.287  96.747  4.4262  99.757  4.0009  -3.009895      5.966457  
1 1 1 4   66  14 o 101.466 3.4155  5597.40    375.360  5852.64    696.227  5492.81    445.680  103.094 6.2648  100.427 4.0973  2.667419       7.485731  
1 1 1 4   66  15 o 43.434  4.0871  1037.00    190.011  1374.15    432.374  956.301    211.531  49.079  8.4379  41.576  4.7847  7.503197       9.700123  
1 1 1 4   66  16 o 74.652  3.0077  3029.92    243.193  3022.38    540.453  3031.83    272.320  73.658  6.8529  74.638  3.3686  -0.9802017     7.636113  
1 1 1 4   66  17 o 60.351  3.3573  1989.45    218.586  2010.13    485.040  1984.19    244.861  59.612  7.6918  60.203  3.7743  -0.5910721     8.567893  
1 1 1 4   66  18 o 33.715  0.7712  615.796    28.160   -145.1030  387.590  619.834    28.235   19.651  8.8080  33.826  0.7707  -14.17463      8.841602  
1 1 1 4   66  19 o 82.062  3.0725  3669.46    273.094  4045.56    584.766  3564.55    308.843  85.081  6.3924  80.802  3.5290  4.278900       7.301849  
1 1 1 4   66  20 o 89.732  3.2003  4394.28    311.035  4457.36    660.612  4376.32    352.558  88.889  6.9161  89.448  3.6391  -0.5585785     7.815056  
1 1 1 4   66  21 f 90.933  3.1772  4517.56    312.920  4430.14    671.683  4541.79    353.642  88.279  7.0845  91.067  3.5854  -2.787918      7.940086  
1 1 1 4   66  22 o 111.304 3.2789  6780.79    395.283  6328.54    805.921  6924.05    453.588  105.286 7.1089  112.300 3.7292  -7.013962      8.027648  
1 1 1 4   66  23 o 58.664  3.9412  1907.95    248.967  916.045    537.968  2178.30    280.853  37.505  11.841  62.617  4.1649  -25.11205      12.55216  
1 1 1 4   66  24 o 23.847  7.8789  335.973    236.549  18.185     470.059  443.742    273.735  22.381  9.8844  26.859  8.4421  -4.478037      12.99884  
1 1 1 4   66  25 o 34.728  2.0718  661.038    77.575   0.0000     0.0000   661.038    77.575   ?       ?       34.728  2.0718  0.000000       2.071828  
1 1 1 4   66  26 o 33.398  8.9497  739.781    330.302  0.0000     0.0000   739.781    330.302  ?       ?       33.398  8.9497  0.000000       8.949735  
1 1 1 4   66  27 o 17.665  7.7199  30.247     279.920  0.0000     0.0000   30.247     279.920  ?       ?       17.665  7.7199  0.000000       7.719900  
1 1 1 4   66  28 o 47.996  7.1820  1454.08    361.880  0.0000     0.0000   1454.08    361.880  ?       ?       47.996  7.1820  0.000000       7.182021  
1 1 1 4   67  0  o 125.066 4.2418  8485.50    574.595  8502.11    823.714  8469.75    801.924  125.073 6.0805  124.846 5.9305  0.2272949      8.493735  
1 1 1 4   67  1  o 183.677 3.6415  18294.34   724.439  18692.32   1025.17  17897.38   1023.86  185.548 5.1012  181.550 5.2068  3.998001       7.289221  
1 1 1 4   67  2  o 57.138  2.2714  1768.96    140.572  1681.81    165.561  1994.08    266.090  55.706  2.7440  60.493  4.0851  -4.786564      4.921160  
1 1 1 4   67  3  o 63.680  2.9073  2198.00    200.523  2251.89    285.341  2145.43    281.855  64.296  4.1191  62.747  4.1711  1.549206       5.862123  
1 1 1 4   67  4  o 213.198 5.1155  24686.21   1181.24  25850.44   1515.84  22886.13   1884.86  217.988 6.4203  204.761 8.4989  13.22618       10.65130  
1 1 1 4   67  5  o 111.534 3.4183  6746.01    412.943  6972.52    508.289  6306.27    708.215  113.354 4.1400  107.504 6.1075  5.850037       7.378458  
1 1 1 4   67  6  o 332.605 6.7161  60254.14   2419.46  61692.26   2964.13  57383.18   4188.07  336.100 8.1425  322.576 11.987  13.52371       14.49100  
1 1 1 4   67  7  o 150.540 3.2750  12291.39   533.993  12592.10   759.113  11996.84   751.307  152.258 4.6032  148.609 4.6677  3.648590       6.555644  
1 1 1 4   67  8  o 82.834  2.5840  3719.80    231.834  3818.18    363.987  3652.65    300.724  83.860  4.0074  82.052  3.3838  1.807884       5.244966  
1 1 1 4   67  9  o 153.668 3.3240  12813.47   553.247  13225.65   788.394  12413.58   776.559  155.969 4.6670  151.095 4.7452  4.874191       6.655623  
1 1 1 4   67  10 o 128.236 3.0851  8923.16    428.498  9229.67    622.581  8647.28    590.653  130.286 4.4119  126.119 4.3240  4.167519       6.177513  
1 1 1 4   67  11 o 171.132 3.5720  15908.44   662.085  15222.17   944.391  16571.76   928.471  167.111 5.2177  174.425 4.9146  -7.314484      7.167808  
1 1 1 4   67  12 o 78.265  2.9814  3325.40    252.727  3133.32    369.108  3494.92    346.757  75.717  4.5215  80.156  3.9941  -4.439590      6.032956  
1 1 1 4   67  13 o 112.780 3.0142  6907.88    368.189  6775.77    535.128  7026.65    507.375  111.511 4.4307  113.603 4.1235  -2.092560      6.052624  
1 1 1 4   67  14 o 91.040  3.1681  4504.46    312.392  4805.32    633.012  4407.60    359.177  93.344  6.2980  90.000  3.6846  3.343407       7.296691  
1 1 1 4   67  15 o 119.720 3.1079  7792.02    403.002  6721.43    832.359  8119.84    460.588  110.118 7.0154  122.153 3.4813  -12.03503      7.831642  
1 1 1 4   67  16 o 63.607  3.2555  2207.47    223.531  2380.42    497.789  2163.78    250.172  65.165  7.1715  62.907  3.6879  2.257984       8.064170  
1 1 1 4   67  17 o 58.832  3.5047  1892.87    222.310  2031.39    481.902  1855.42    250.565  59.928  7.5948  58.159  4.0021  1.769016       8.584728  
1 1 1 4   67  18 o 22.507  6.4892  287.698    166.886  257.274    400.106  294.106    183.621  25.649  9.9942  22.849  6.8657  2.799402       12.12528  
1 1 1 4   67  19 o 98.094  2.8420  5240.15    301.946  5209.20    674.677  5247.90    337.648  96.479  6.4942  98.098  3.1779  -1.618813      7.230049  
1 1 1 4   67  20 o 92.877  3.1391  4708.04    315.777  4445.09    669.594  4783.25    358.098  88.631  7.0330  93.519  3.5353  -4.887909      7.871540  
1 1 1 4   67  21 f 22.167  7.1743  273.122    196.555  82.291     457.060  316.421    217.714  23.833  10.133  23.677  7.5389  0.1560440      12.62953  
1 1 1 4   67  22 f 18.035  7.3013  94.612     221.512  -37.1580   452.509  136.139    254.030  22.087  9.7293  19.788  7.8852  2.298969       12.52341  
1 1 1 4   67  23 o 38.290  2.4686  803.869    101.833  889.593    495.749  800.093    104.051  36.839  11.326  38.187  2.5300  -1.348743      11.60470  
1 1 1 4   67  24 o 65.126  2.6244  2325.77    185.117  2210.32    561.472  2339.85    196.080  59.249  9.0353  65.275  2.7734  -6.026039      9.451359  
1 1 1 4   67  25 o 33.217  8.3037  705.036    297.935  0.0000     0.0000   705.036    297.935  ?       ?       33.217  8.3037  0.000000       8.303722  
1 1 1 4   67  26 o 36.174  8.5223  854.376    328.416  0.0000     0.0000   854.376    328.416  ?       ?       36.174  8.5223  0.000000       8.522280  
1 1 1 4   67  27 o 25.428  9.8479  404.980    386.644  0.0000     0.0000   404.980    386.644  ?       ?       25.428  9.8479  0.000000       9.847856  
1 1 1 4   67  28 o 21.825  9.0392  226.402    349.362  0.0000     0.0000   226.402    349.362  ?       ?       21.825  9.0392  0.000000       9.039181  
1 1 1 4   68  0  o 193.089 5.3522  20252.61   1119.34  20829.03   1583.30  19676.65   1582.67  195.535 7.4760  190.016 7.6901  5.518738       10.72507  
1 1 1 4   68  1  f 193.798 5.3637  20402.57   1125.85  20478.20   1591.90  20326.88   1592.50  193.857 7.5816  193.135 7.6129  0.7224579      10.74415  
1 1 1 4   68  2  o 183.437 3.6464  18249.55   724.479  18000.81   1026.36  18496.56   1022.78  182.044 5.2054  184.543 5.1170  -2.499069      7.299321  
1 1 1 4   68  3  o 252.532 4.6021  34620.26   1258.75  35230.98   1781.66  34011.63   1778.62  254.448 6.4648  249.987 6.5690  4.461472       9.216563  
1 1 1 4   68  4  o 42.058  3.7239  967.057    167.882  923.818    237.374  1010.33    237.467  40.863  5.5033  42.806  5.2307  -1.943230      7.592477  
1 1 1 4   68  5  o 176.099 3.7507  16824.66   715.381  17215.56   1070.39  16509.11   961.716  177.939 5.5539  174.305 5.0941  3.633835       7.536325  
1 1 1 4   68  6  o 168.455 3.4750  15394.09   634.031  15911.80   900.953  14886.16   892.418  171.123 4.8610  165.503 4.9784  5.620560       6.958011  
1 1 1 4   68  7  o 162.683 3.4267  14359.29   603.794  14398.77   855.872  14320.18   851.928  162.755 4.8552  162.311 4.8460  0.4436798      6.859785  
1 1 1 4   68  8  o 207.473 3.9975  23376.74   898.292  22987.18   1271.84  23764.51   1268.92  205.436 5.7159  208.903 5.6081  -3.466949      8.007678  
1 1 1 4   68  9  o 105.221 2.9165  6005.92    332.384  6029.10    484.875  5985.37    456.529  105.323 4.2505  104.961 4.0158  0.3624039      5.847472  
1 1 1 4   68  10 o 77.650  2.9240  3271.70    245.913  3308.94    365.278  3240.82    332.567  77.878  4.3478  77.115  3.9954  0.7635345      5.904833  
1 1 1 4   68  11 o 145.386 3.2630  11478.93   513.821  11337.95   735.931  11613.02   717.718  144.272 4.7096  146.042 4.5374  -1.770035      6.539751  
1 1 1 4   68  12 o 81.212  2.9502  3580.97    259.501  3522.92    380.823  3631.28    354.562  80.307  4.3949  81.691  4.0073  -1.384644      5.947565  
1 1 1 4   68  13 o 43.417  3.9849  1034.75    185.299  1046.44    315.235  1028.57    229.047  43.082  6.9957  43.120  4.9969  -0.3811646E-01 8.597021  
1 1 1 4   68  14 o 75.614  3.0062  3106.75    246.205  2800.41    617.178  3164.72    268.493  70.588  8.2269  76.295  3.2491  -5.707520      8.845255  
1 1 1 4   68  15 o 82.798  3.0982  3727.78    277.840  3298.64    590.786  3849.65    314.829  76.894  7.1765  84.099  3.4563  -7.204185      7.965468  
1 1 1 4   68  16 o 77.213  2.6249  3239.32    219.522  3309.03    558.750  3226.59    238.717  77.054  6.7635  77.038  2.8609  0.1586151E-01  7.343674  
1 1 1 4   68  17 o 70.344  3.2542  2695.07    247.937  2913.17    529.442  2633.80    280.608  72.135  6.8590  69.377  3.7482  2.757500       7.816367  
1 1 1 4   68  18 f 76.570  3.2011  3195.38    265.474  2793.43    559.324  3312.26    301.612  70.257  7.4647  77.897  3.5749  -7.639832      8.276514  
1 1 1 4   68  19 o 45.365  2.1053  1118.03    103.443  948.308    443.013  1127.82    106.384  39.644  10.244  45.559  2.1559  -5.914742      10.46826  
1 1 1 4   68  20 o 45.988  1.9846  1149.08    98.855   1091.06    445.933  1152.07    101.377  42.440  9.8851  46.044  2.0328  -3.603981      10.09190  
1 1 1 4   68  21 f 98.029  2.9765  5246.57    316.034  4286.42    718.420  5476.96    351.913  86.311  7.7682  100.081 3.2465  -13.77027      8.419289  
1 1 1 4   68  22 o 29.142  1.7165  463.028    53.941   151.696    468.678  467.208    54.302   24.673  10.363  29.273  1.7202  -4.600277      10.50461  
1 1 1 4   68  23 o 35.226  6.2061  728.065    228.134  468.502    485.169  801.746    258.493  28.979  11.081  36.771  6.7388  -7.792130      12.96923  
1 1 1 4   68  24 o 20.449  7.4323  223.297    212.877  161.680    466.389  239.512    239.253  23.773  10.174  21.264  7.8555  2.508614       12.85394  
1 1 1 4   68  25 f 43.232  7.5507  1154.88    340.692  0.0000     0.0000   1154.88    340.692  ?       ?       43.232  7.5507  0.000000       7.550672  
1 1 1 4   68  26 o 17.294  7.6241  0.6701     278.420  0.0000     0.0000   0.6701     278.420  ?       ?       17.294  7.6241  0.000000       7.624070  
1 1 1 4   68  27 o 42.577  7.8239  1166.60    347.505  0.0000     0.0000   1166.60    347.505  ?       ?       42.577  7.8239  0.000000       7.823884  
1 1 1 4   68  28 o 18.954  8.4206  29.113     346.065  0.0000     0.0000   29.113     346.065  ?       ?       18.954  8.4206  0.000000       8.420568  
1 1 1 4   69  0  o 146.925 4.5595  11719.23   725.583  11801.74   1025.07  11636.38   1027.20  147.264 6.4267  146.222 6.4859  1.041855       9.130658  
1 1 1 4   69  1  o 60.383  3.9802  1986.88    258.853  1799.15    358.349  2191.72    374.319  57.225  5.8644  63.264  5.5181  -6.038670      8.052371  
1 1 1 4   69  2  o 184.300 5.1810  18455.23   1034.22  18104.35   1461.32  18807.36   1463.90  182.229 7.4038  185.754 7.2762  -3.525574      10.38074  
1 1 1 4   69  3  o 279.353 7.0397  42529.21   2129.99  43871.21   3016.84  41195.32   3007.71  282.876 9.8466  274.014 10.134  8.862000       14.13007  
1 1 1 4   69  4  o 247.314 4.5433  33216.37   1217.01  33406.30   1723.10  33027.31   1719.13  247.675 6.4233  246.261 6.4453  1.413635       9.099478  
1 1 1 4   69  5  o 123.417 3.0443  8259.97    406.942  8596.24    579.315  7932.42    571.766  125.823 4.2509  120.858 4.3679  4.964684       6.094987  
1 1 1 4   69  6  o 75.403  2.8041  3082.95    229.009  2883.36    332.562  3262.94    315.823  72.741  4.2395  77.535  3.7608  -4.793976      5.667154  
1 1 1 4   69  7  o 156.090 3.4142  13221.28   577.213  13079.17   852.208  13341.73   784.584  155.058 5.0744  156.666 4.6237  -1.608200      6.864986  
1 1 1 4   69  8  o 56.890  3.0041  1760.69    184.450  1616.38    272.169  1883.27    250.838  54.319  4.6716  58.748  3.9653  -4.429230      6.127634  
1 1 1 4   69  9  o 131.475 3.0958  9381.12    440.844  9669.95    629.601  9103.31    617.472  133.345 4.3593  129.373 4.4066  3.971786       6.198528  
1 1 1 4   69  10 o 11.368  5.0798  -54.8435   127.876  -184.2615  237.574  -2.0544    151.730  14.319  6.6008  13.658  5.8231  0.6610813      8.802216  
1 1 1 4   69  11 o 167.518 3.5322  15250.92   640.875  14626.67   916.549  15848.10   896.453  163.724 5.1686  170.499 4.8544  -6.774597      7.090809  
1 1 1 4   69  12 o 66.378  3.0194  2392.99    217.076  2397.53    329.674  2389.52    288.427  66.153  4.6303  66.132  4.0462  0.2146912E-01  6.149126  
1 1 1 4   69  13 o 16.266  6.4112  82.903     166.248  -48.2226   300.896  140.520    199.456  18.420  8.0279  18.797  7.1246  -0.3776875     10.73349  
1 1 1 4   69  14 o 83.487  3.1382  3789.30    283.767  3961.37    427.012  3653.20    379.747  85.040  4.6537  81.723  4.3054  3.316978       6.339806  
1 1 1 4   69  15 o 172.728 3.5866  16250.95   670.995  16171.36   1358.70  16276.62   771.661  170.738 7.3472  172.704 4.1253  -1.965622      8.426139  
1 1 1 4   69  16 o 109.671 2.9562  6542.15    351.151  5902.31    754.467  6719.09    396.742  103.004 6.8009  111.086 3.2975  -8.081696      7.558165  
1 1 1 4   69  17 o 83.360  3.0732  3783.51    277.476  3551.85    592.532  3848.59    314.037  79.619  6.9405  84.015  3.4511  -4.395851      7.751137  
1 1 1 4   69  18 o 40.716  4.3946  919.349    190.726  378.989    437.305  1046.28    211.947  28.295  10.587  43.425  4.5751  -15.12972      11.53322  
1 1 1 4   69  19 o 49.699  4.0401  1362.56    215.594  1381.60    462.419  1357.28    243.702  48.339  9.1676  49.469  4.6012  -1.129589      10.25750  
1 1 1 4   69  20 o 58.280  3.7934  1869.54    238.147  1933.08    491.291  1850.02    272.274  57.696  8.0837  57.819  4.3803  -0.1226616     9.194164  
1 1 1 4   69  21 o 35.709  5.7743  729.291    215.710  728.073    462.708  729.628    243.827  34.525  10.990  35.454  6.5923  -0.9281769     12.81581  
1 1 1 4   69  22 o 46.296  4.7659  1204.55    235.564  648.182    507.523  1357.32    265.945  32.673  11.523  49.055  5.0790  -16.38168      12.59280  
1 1 1 4   69  23 o 38.198  5.7737  848.628    231.416  677.766    494.088  896.643    261.922  32.307  11.372  38.978  6.4283  -6.671490      13.06328  
1 1 1 4   69  24 o 30.492  7.6420  579.494    251.886  0.0000     0.0000   579.494    251.886  ?       ?       30.492  7.6420  0.000000       7.641956  
1 1 1 4   69  25 o 46.999  7.2350  1351.78    356.484  0.0000     0.0000   1351.78    356.484  ?       ?       46.999  7.2350  0.000000       7.235002  
1 1 1 4   69  26 o 40.893  8.2046  1080.12    350.751  0.0000     0.0000   1080.12    350.751  ?       ?       40.893  8.2046  0.000000       8.204565  
1 1 1 4   69  27 o 41.228  8.0135  1106.62    344.941  0.0000     0.0000   1106.62    344.941  ?       ?       41.228  8.0135  0.000000       8.013454  
1 1 1 4   70  0  o 333.198 5.8002  60390.01   2093.22  60946.94   2961.95  59834.36   2958.56  334.000 8.1877  330.913 8.2546  3.086365       11.62656  
1 1 1 4   70  1  o 73.953  3.9712  2976.52    316.924  2926.92    453.371  3023.93    443.199  73.129  5.7708  74.369  5.5420  -1.239563      8.000993  
1 1 1 4   70  2  o 77.371  3.8169  3248.40    319.862  3239.19    465.167  3256.67    440.544  76.969  5.6187  77.218  5.2995  -0.2489700     7.723601  
1 1 1 4   70  3  o 175.452 5.0535  16732.07   960.323  16701.12   1363.05  16762.58   1353.20  174.961 7.1929  175.294 7.1273  -0.3334198     10.12601  
1 1 1 4   70  4  o 113.853 4.1036  7037.95    506.037  7617.38    714.496  6454.78    716.799  118.319 5.5754  108.696 6.1134  9.623650       8.273961  
1 1 1 4   70  5  o 159.781 3.3853  13851.67   585.860  14557.14   834.303  13165.38   822.879  163.657 4.7067  155.616 4.8822  8.041107       6.781508  
1 1 1 4   70  6  o 152.411 3.4278  12605.75   565.844  12340.82   833.112  12832.62   770.948  150.611 5.1071  153.645 4.6327  -3.033905      6.895265  
1 1 1 4   70  7  o 60.242  2.9795  1968.73    194.407  1833.12    279.750  2095.40    270.357  57.894  4.4967  61.973  4.0500  -4.079460      6.051673  
1 1 1 4   70  8  o 94.079  2.8384  4801.67    289.226  4769.68    412.872  4832.50    405.289  93.679  4.0692  94.302  3.9680  -0.6232300     5.683586  
1 1 1 4   70  9  o 29.332  4.6602  479.798    143.098  501.438    235.341  467.105    180.247  29.656  7.3612  28.719  5.9887  0.9377384      9.489537  
1 1 1 4   70  10 o 109.593 2.9503  6519.87    350.207  6951.09    508.033  6129.44    483.417  113.028 4.1499  106.131 4.2054  6.896935       5.908219  
1 1 1 4   70  11 o 87.901  2.9351  4195.25    279.437  4389.96    409.815  4026.06    382.016  89.793  4.2138  86.003  4.1011  3.789909       5.880052  
1 1 1 4   70  12 o 105.391 2.9891  6033.09    341.205  5904.45    502.099  6143.47    465.096  104.073 4.4543  106.220 4.0427  -2.147255      6.015336  
1 1 1 4   70  13 o 50.628  3.9771  1404.71    216.327  1359.41    330.235  1438.77    286.311  49.352  6.3234  51.020  5.2564  -1.668251      8.222831  
1 1 1 4   70  14 o 69.873  3.3085  2656.23    250.389  2769.11    384.057  2572.78    330.216  70.956  5.0299  68.494  4.4758  2.462555       6.732967  
1 1 1 4   70  15 f 66.817  3.1222  2428.75    225.955  2541.38    515.071  2401.91    251.441  67.348  7.1715  66.315  3.5132  1.032242       7.985764  
1 1 1 4   70  16 o 38.558  4.6613  825.699    190.715  296.614    431.111  954.436    212.656  26.985  10.413  41.459  4.8260  -14.47441      11.47728  
1 1 1 4   70  17 o 99.667  2.9911  5408.46    322.885  5259.31    693.299  5449.77    364.870  97.062  6.6346  99.975  3.3696  -2.912872      7.441195  
1 1 1 4   70  18 o 61.402  3.3590  2063.65    222.543  1716.90    503.019  2148.03    248.149  54.267  8.8642  62.584  3.6770  -8.316601      9.596548  
1 1 1 4   70  19 o 120.549 3.2353  7934.88    422.420  7090.35    852.799  8209.46    486.266  112.043 7.0635  122.475 3.6657  -10.43169      7.958028  
1 1 1 4   70  20 o 39.200  4.9101  861.983    203.901  687.175    442.069  909.222    229.805  33.858  10.739  40.128  5.4266  -6.270191      12.03185  
1 1 1 4   70  21 o 59.050  3.7275  1923.07    237.178  1985.05    501.314  1905.20    269.214  58.088  8.1958  58.609  4.2703  -0.5211906     9.241572  
1 1 1 4   70  22 f 52.176  4.1962  1518.60    235.133  1070.89    508.551  1640.33    265.180  40.378  11.224  54.097  4.5686  -13.71881      12.11780  
1 1 1 4   70  23 o 17.417  7.1213  91.825     213.241  -208.6357  470.438  169.523    239.229  20.057  9.2609  19.733  7.7172  0.3241043      12.05481  
1 1 1 4   70  24 o 22.326  8.1630  275.437    257.343  0.0000     0.0000   275.437    257.343  ?       ?       22.326  8.1630  0.000000       8.163002  
1 1 1 4   70  25 o 69.155  5.8549  2803.47    434.427  0.0000     0.0000   2803.47    434.427  ?       ?       69.155  5.8549  0.000000       5.854912  
1 1 1 4   70  26 f 57.916  6.2810  2015.77    387.688  0.0000     0.0000   2015.77    387.688  ?       ?       57.916  6.2810  0.000000       6.280977  
1 1 1 4   70  27 o 45.897  6.9227  1309.32    333.434  0.0000     0.0000   1309.32    333.434  ?       ?       45.897  6.9227  0.000000       6.922667  
1 1 1 4   71  0  o 145.121 3.2354  11422.87   508.551  11748.68   719.445  11097.50   718.955  147.068 4.5166  142.922 4.6444  4.146194       6.478452  
1 1 1 4   71  1  o 61.952  2.9500  2081.21    197.945  2074.44    272.973  2088.71    287.463  61.677  4.1098  61.868  4.3169  -0.1906815     5.960401  
1 1 1 4   71  2  o 147.600 3.2334  11817.10   516.911  11930.89   731.806  11703.79   730.242  148.191 4.5594  146.770 4.5937  1.420685       6.472224  
1 1 1 4   71  3  o 47.470  4.3971  1234.51    223.508  1416.78    315.183  1050.12    317.001  50.678  5.8496  43.329  6.9928  7.348675       9.116860  
1 1 1 4   71  4  o 68.201  3.9169  2533.75    288.122  2670.83    403.809  2391.58    411.226  69.852  5.3787  66.015  5.8105  3.837097       7.917875  
1 1 1 4   71  5  o 120.087 4.2050  7834.69    546.929  8432.45    780.840  7258.96    766.315  124.406 5.7950  115.219 6.1630  9.187012       8.459531  
1 1 1 4   71  6  o 95.174  2.9348  4913.73    302.527  4718.50    428.709  5107.37    426.971  93.177  4.2480  96.955  4.0659  -3.777954      5.880207  
1 1 1 4   71  7  o 23.300  5.4758  307.767    135.853  255.329    211.188  344.784    177.439  22.245  7.4479  24.681  6.5347  -2.436586      9.908239  
1 1 1 4   71  8  o 25.187  5.3618  358.954    141.782  426.738    214.988  306.783    188.611  27.403  7.1632  23.486  6.9356  3.917566       9.970619  
1 1 1 4   71  9  o 59.777  3.0692  1945.03    198.044  1816.80    291.985  2054.28    269.515  57.560  4.7252  61.320  4.0813  -3.760654      6.243762  
1 1 1 4   71  10 o 16.152  5.8573  117.673    132.109  -27.1412   233.304  186.022    160.281  16.460  7.1216  19.125  6.4880  -2.664917      9.633880  
1 1 1 4   71  11 o 69.151  3.0240  2597.23    226.487  2803.46    351.085  2450.23    296.414  71.569  4.5528  66.959  4.1070  4.610519       6.131509  
1 1 1 4   71  12 f 60.068  3.2982  1967.34    213.763  2012.78    334.618  1936.01    277.848  60.468  5.1585  59.438  4.3461  1.030464       6.745258  
1 1 1 4   71  13 o 113.228 3.0813  6969.05    377.883  6790.33    552.516  7126.12    517.969  111.516 4.5744  114.317 4.1833  -2.800774      6.198854  
1 1 1 4   71  14 o 13.369  5.9133  -52.1131   168.850  15.236     289.425  -86.8623   207.895  18.977  8.0655  14.440  6.4631  4.536669       10.33551  
1 1 1 4   71  15 f 120.179 3.6370  7872.29    473.417  7372.97    843.071  8102.26    572.140  115.202 6.7867  121.756 4.3385  -6.554100      8.054940  
1 1 1 4   71  16 o 157.891 3.4482  13590.02   589.684  13954.04   1198.31  13473.71   677.377  158.385 6.9853  157.042 3.9824  1.343155       8.040745  
1 1 1 4   71  17 o 19.510  1.5550  207.761    32.586   159.255    407.163  208.074    32.691   24.152  9.8538  19.524  1.5589  4.627958       9.976354  
1 1 1 4   71  18 o 52.928  3.8780  1541.38    220.762  2245.54    477.282  1349.72    248.999  62.899  7.1320  49.316  4.7192  13.58233       8.551978  
1 1 1 4   71  19 o 70.996  3.3092  2754.06    254.466  2451.00    547.403  2837.61    287.407  65.229  7.9098  71.893  3.7036  -6.663513      8.733958  
1 1 1 4   71  20 o 22.812  6.9849  296.791    188.782  369.160    417.034  278.140    211.716  27.445  10.325  22.492  7.4550  4.953339       12.73504  
1 1 1 4   71  21 o 82.584  3.4130  3742.08    305.280  3435.18    606.411  3846.26    353.317  77.038  7.3570  83.559  3.9039  -6.520630      8.328645  
1 1 1 4   71  22 o 24.515  7.6135  357.426    223.390  445.473    431.032  325.091    261.208  28.114  10.512  23.926  8.2776  4.187828       13.38015  
1 1 1 4   71  23 o 24.547  7.3254  366.354    209.564  275.291    483.169  387.453    232.579  25.604  10.619  25.182  7.7599  0.4222088      13.15250  
1 1 1 4   71  24 o 46.182  7.5523  1309.73    364.710  0.0000     0.0000   1309.73    364.710  ?       ?       46.182  7.5523  0.000000       7.552335  
1 1 1 4   71  25 o 52.133  6.1878  1618.67    342.578  0.0000     0.0000   1618.67    342.578  ?       ?       52.133  6.1878  0.000000       6.187830  
1 1 1 4   71  26 o 27.064  8.8927  488.069    301.488  0.0000     0.0000   488.069    301.488  ?       ?       27.064  8.8927  0.000000       8.892652  
1 1 1 4   71  27 f 35.861  8.0661  844.584    305.707  0.0000     0.0000   844.584    305.707  ?       ?       35.861  8.0661  0.000000       8.066084  
1 1 1 4   72  0  o 36.599  1.9834  727.998    78.329   700.688    84.789   887.029    204.604  35.889  2.1918  40.112  4.8051  -4.222591      5.281382  
1 1 1 4   72  1  o 172.743 3.5538  16194.06   664.907  16075.23   942.484  16311.80   938.174  171.923 5.0614  173.192 5.0013  -1.269104      7.115560  
1 1 1 4   72  2  o 105.173 2.8213  5998.44    321.383  6290.57    454.948  5707.45    454.061  107.637 3.9024  102.514 4.0894  5.123222       5.652614  
1 1 1 4   72  3  o 198.944 4.0662  21497.12   876.176  21879.97   1320.78  21196.22   1170.91  200.342 6.0868  197.310 5.4791  3.032181       8.189572  
1 1 1 4   72  4  o 229.202 5.9961  28643.10   1488.54  30373.02   2110.52  26930.77   2099.76  235.303 8.2812  221.401 8.7563  13.90172       12.05199  
1 1 1 4   72  5  o 70.887  4.0671  2739.33    310.963  2656.10    452.336  2813.92    428.191  69.515  6.0686  71.647  5.5614  -2.132271      8.231462  
1 1 1 4   72  6  o 179.431 5.1279  17535.92   996.565  17964.12   1410.99  17109.71   1407.72  181.108 7.1931  176.704 7.3553  4.404465       10.28792  
1 1 1 4   72  7  o 174.603 3.5666  16560.26   674.483  16925.80   958.417  16201.58   949.374  176.257 5.0204  172.432 5.0834  3.825134       7.144570  
1 1 1 4   72  8  o 177.257 3.6208  17073.98   695.155  17199.31   987.767  16950.99   978.494  177.599 5.1350  176.315 5.1239  1.284149       7.254146  
1 1 1 4   72  9  o 80.816  2.8988  3545.51    253.742  3732.09    374.633  3387.37    344.899  82.702  4.1961  78.801  4.0548  3.901825       5.835080  
1 1 1 4   72  10 o 70.338  2.9247  2686.47    222.818  2798.33    328.532  2591.18    303.212  71.557  4.2582  68.874  4.0829  2.683060       5.899305  
1 1 1 4   72  11 o 34.829  4.2828  670.769    158.157  568.669    258.448  731.894    199.971  31.480  7.6541  36.230  5.2490  -4.749199      9.280980  
1 1 1 4   72  12 o 23.718  6.3778  319.794    167.393  224.572    292.258  366.282    204.206  23.034  8.6478  25.408  7.1297  -2.373867      11.20789  
1 1 1 4   72  13 o 57.404  3.4990  1800.34    216.509  1968.96    341.509  1687.02    279.961  59.710  5.3368  55.360  4.7140  4.350731       7.120661  
1 1 1 4   72  14 o 54.835  3.9022  1647.91    230.250  1831.56    349.465  1507.03    306.076  57.460  5.6901  52.111  5.5062  5.348259       7.918053  
1 1 1 4   72  15 o 47.087  4.6788  1225.82    235.458  709.117    457.806  1411.66    274.554  35.038  10.902  50.473  5.0918  -15.43514      12.03249  
1 1 1 4   72  16 o 64.221  3.2545  2253.07    225.640  1828.68    515.458  2353.67    250.962  56.294  8.7373  65.591  3.5458  -9.297230      9.429335  
1 1 1 4   72  17 o 153.865 3.5497  12928.39   591.555  11617.17   1171.90  13376.75   685.269  143.580 7.5624  156.315 4.0475  -12.73524      8.577449  
1 1 1 4   72  18 o 58.382  2.4388  1854.19    154.218  1187.13    493.399  1926.42    162.352  44.224  10.464  59.500  2.5193  -15.27549      10.76299  
1 1 1 4   72  19 o 110.240 3.1912  6637.35    381.036  6036.13    778.532  6826.73    436.947  103.275 7.0014  111.670 3.6126  -8.394135      7.878461  
1 1 1 4   72  20 o 116.052 3.2334  7368.74    406.424  6913.33    829.764  7512.48    466.172  110.175 6.9897  117.003 3.6786  -6.827530      7.898561  
1 1 1 4   72  21 o 70.572  3.5489  2746.17    270.397  2165.95    553.341  2928.18    309.919  59.971  8.7788  72.725  3.9494  -12.75416      9.626274  
1 1 1 4   72  22 o 65.935  3.8890  2420.07    276.500  1394.11    618.748  2676.07    309.077  44.552  12.379  69.221  4.1415  -24.66878      13.05307  
1 1 1 4   72  23 o 8.3225  2.9129  33.911     32.391   0.0000     0.0000   33.911     32.391   ?       ?       8.3225  2.9129  0.000000       2.912883  
1 1 1 4   72  24 o 19.107  7.8883  119.519    264.836  0.0000     0.0000   119.519    264.836  ?       ?       19.107  7.8883  0.000000       7.888318  
1 1 1 4   72  25 o 19.755  8.3493  114.432    307.319  0.0000     0.0000   114.432    307.319  ?       ?       19.755  8.3493  0.000000       8.349255  
1 1 1 4   72  26 o 33.238  8.0162  722.766    285.238  0.0000     0.0000   722.766    285.238  ?       ?       33.238  8.0162  0.000000       8.016198  
1 1 1 4   73  0  o 141.329 3.1881  10837.17   488.016  10669.24   691.895  11003.43   688.436  140.092 4.5599  142.281 4.4673  -2.188065      6.383552  
1 1 1 4   73  1  o 67.116  2.8325  2443.13    205.906  2419.57    290.030  2467.08    292.375  66.619  4.0386  67.273  4.0312  -0.6541214     5.706211  
1 1 1 4   73  2  o 186.923 3.7346  18972.64   756.100  19011.57   1072.77  18934.20   1065.83  186.861 5.3005  186.485 5.2769  0.3761444      7.479346  
1 1 1 4   73  3  o 139.470 3.1409  10554.96   474.472  10642.34   677.114  10470.65   665.057  139.905 4.4685  138.777 4.4246  1.127731       6.288412  
1 1 1 4   73  4  o 155.515 3.4396  13130.14   579.358  13117.80   856.846  13140.53   786.357  155.212 5.0969  155.414 4.6715  -0.2021637     6.913897  
1 1 1 4   73  5  o 168.643 4.9320  15485.89   900.872  15829.89   1279.14  15147.34   1268.98  170.054 6.9448  166.322 7.0442  3.732208       9.891986  
1 1 1 4   73  6  o 110.865 4.1201  6683.60    494.734  7073.99    702.917  6300.36    696.445  113.700 5.7262  107.226 6.0211  6.473732       8.309225  
1 1 1 4   73  7  o 71.673  3.9514  2801.66    305.562  2776.07    422.217  2829.79    442.776  71.105  5.5257  71.755  5.7454  -0.6491013     7.971405  
1 1 1 4   73  8  o 107.277 4.0438  6261.00    469.856  6732.12    674.807  5817.67    654.606  110.861 5.6385  102.981 5.8933  7.879868       8.156189  
1 1 1 4   73  9  o 191.307 3.7621  19905.49   779.521  20578.83   1111.58  19253.92   1093.46  194.110 5.2871  187.730 5.3777  6.379959       7.541488  
1 1 1 4   73  10 f 101.182 2.9280  5559.86    320.881  5646.10    476.561  5488.33    434.006  101.797 4.3223  100.409 3.9907  1.387428       5.882878  
1 1 1 4   73  11 o 13.485  5.8061  -12.6019   153.573  25.910     285.309  -28.3118   182.223  19.079  8.0531  14.414  6.2652  4.664729       10.20316  
1 1 1 4   73  12 o 75.985  3.1220  3139.08    256.942  2780.15    385.292  3426.55    344.810  71.115  5.0347  79.184  4.0338  -8.069504      6.451338  
1 1 1 4   73  13 o 55.830  3.6994  1705.48    222.434  1793.95    339.279  1638.79    294.576  56.907  5.5762  54.481  5.0495  2.426304       7.522718  
1 1 1 4   73  14 o 48.245  4.2611  1281.23    220.376  1271.19    339.826  1288.51    289.504  47.471  6.8038  48.089  5.6671  -0.6176376     8.854812  
1 1 1 4   73  15 f 76.454  3.7999  3190.52    314.661  2392.83    567.556  3544.52    378.089  64.805  8.2748  80.370  4.3597  -15.56511      9.353046  
1 1 1 4   73  16 o 18.222  6.5321  158.633    163.723  560.457    410.609  82.670     178.529  31.519  10.379  16.590  6.6105  14.92881       12.30534  
1 1 1 4   73  17 o 84.832  3.2160  3925.21    295.491  3985.66    615.954  3907.13    336.774  84.194  6.8130  84.543  3.6778  -0.3494263     7.742270  
1 1 1 4   73  18 o 56.240  2.4553  1721.04    149.561  1632.49    493.370  1730.00    156.946  52.665  8.9709  56.374  2.5704  -3.709286      9.331884  
1 1 1 4   73  19 o 151.579 3.4676  12573.39   569.291  11053.70   1154.83  13061.25   654.320  139.139 7.6929  154.271 3.9159  -15.13245      8.632215  
1 1 1 4   73  20 f 92.125  3.2268  4646.78    321.976  4420.85    665.931  4715.71    367.828  87.828  7.0601  92.660  3.6651  -4.831566      7.954705  
1 1 1 4   73  21 o 82.158  3.3240  3710.92    295.786  3316.22    613.949  3830.22    337.542  74.989  7.6669  83.302  3.7411  -8.313492      8.530919  
1 1 1 4   73  22 o 46.444  2.3364  1181.99    117.155  990.661    481.210  1194.04    120.789  38.214  11.020  46.666  2.3979  -8.452774      11.27744  
1 1 1 4   73  23 o 38.018  2.0862  791.505    85.576   0.0000     0.0000   791.505    85.576   ?       ?       38.018  2.0862  0.000000       2.086232  
1 1 1 4   73  24 o 31.786  8.7181  659.125    309.163  0.0000     0.0000   659.125    309.163  ?       ?       31.786  8.7181  0.000000       8.718145  
1 1 1 4   73  25 f 14.165  6.8093  -354.3087  305.466  0.0000     0.0000   -354.3087  305.466  ?       ?       14.165  6.8093  0.000000       6.809347  
1 1 1 4   73  26 o 32.018  9.2329  706.103    337.817  0.0000     0.0000   706.103    337.817  ?       ?       32.018  9.2329  0.000000       9.232913  
1 1 1 4   74  0  o 86.314  2.8646  4041.45    267.803  3784.30    372.099  4317.79    385.728  83.448  4.1169  89.145  3.9950  -5.697189      5.736648  
1 1 1 4   74  1  o 49.350  3.1918  1327.21    169.690  1183.08    244.025  1462.16    236.127  46.364  4.9353  51.690  4.2554  -5.326290      6.516561  
1 1 1 4   74  2  o 81.970  2.4523  3643.38    217.722  3950.63    283.458  3201.29    340.010  85.325  3.0672  76.638  4.1112  8.687325       5.129261  
1 1 1 4   74  3  o 135.441 3.1518  9956.23    462.353  9859.55    656.010  10051.65   651.743  134.629 4.4989  135.944 4.4264  -1.314865      6.311296  
1 1 1 4   74  4  o 167.840 3.4831  15298.84   633.186  15345.50   898.606  15252.82   892.346  167.855 4.9427  167.351 4.9230  0.5038757      6.976150  
1 1 1 4   74  5  o 148.260 3.2441  11934.73   520.943  12611.98   741.524  11274.74   732.016  152.226 4.4974  143.898 4.6967  8.328674       6.502798  
1 1 1 4   74  6  f 34.861  5.7532  680.942    209.650  792.247    303.636  579.531    289.827  37.284  7.7709  31.844  8.3137  5.440256       11.38000  
1 1 1 4   74  7  o 213.767 5.7884  24978.98   1340.21  25256.55   1895.90  24701.74   1894.79  213.962 8.1810  211.557 8.2692  2.405258       11.63222  
1 1 1 4   74  8  o 121.722 4.2709  8067.77    563.071  8257.87    797.730  7879.02    794.883  122.824 5.9966  119.789 6.1472  3.034393       8.587640  
1 1 1 4   74  9  o 150.060 4.6725  12279.73   759.425  12830.91   1084.35  11749.13   1063.92  152.882 6.5485  146.243 6.7168  6.638077       9.380754  
1 1 1 4   74  10 o 100.911 2.8171  5529.92    307.900  5927.53    462.694  5213.92    412.490  104.316 4.0952  97.863  3.8916  6.453026       5.649312  
1 1 1 4   74  11 o 64.972  3.2967  2301.47    231.234  2059.08    352.086  2485.32    306.633  61.095  5.3755  67.384  4.2227  -6.288651      6.835740  
1 1 1 4   74  12 o 16.458  6.5889  74.764     178.215  350.823    289.884  -92.9706   225.961  25.824  8.7255  15.071  6.7423  10.75242       11.02695  
1 1 1 4   74  13 f 88.946  3.1083  4303.47    299.448  4077.23    446.787  4487.98    403.483  86.182  4.8056  90.683  4.1080  -4.501114      6.322139  
1 1 1 4   74  14 o 42.211  4.5060  985.711    202.826  600.105    346.204  1187.23    250.273  32.195  9.3650  46.249  5.0799  -14.05398      10.65410  
1 1 1 4   74  15 o 13.034  1.9245  94.182     26.351   99.155     410.685  94.162     26.406   23.406  9.7561  13.032  1.9290  10.37439       9.944945  
1 1 1 4   74  16 o 120.149 3.1707  7868.80    412.623  7033.02    853.458  8123.75    471.376  111.954 7.0748  121.975 3.5680  -10.02122      7.923576  
1 1 1 4   74  17 o 78.373  3.2635  3352.39    277.025  3059.98    580.873  3438.48    315.177  73.378  7.4103  79.292  3.6699  -5.913475      8.269250  
1 1 1 4   74  18 o 39.008  2.3096  830.457    97.148   802.706    460.031  831.752    99.389   36.382  10.853  39.032  2.3621  -2.650536      11.10666  
1 1 1 4   74  19 o 6.2208  2.8744  -37.0672   45.441   727.530    434.652  -45.5166   45.692   34.557  10.601  6.0111  2.8127  28.54601       10.96826  
1 1 1 4   74  20 o 35.348  1.1295  677.672    43.246   347.158    432.714  681.007    43.463   26.933  10.422  35.435  1.1325  -8.502157      10.48294  
1 1 1 4   74  21 o 30.858  1.7884  519.892    59.516   628.706    447.196  517.930    60.050   31.555  10.836  30.797  1.8082  0.7577496      10.98549  
1 1 1 4   74  22 o 40.750  2.6752  914.247    117.416  1351.68    484.627  886.968    121.022  45.441  10.108  40.102  2.8039  5.339355       10.48936  
1 1 1 4   74  23 o 19.844  8.1869  131.370    284.999  0.0000     0.0000   131.370    284.999  ?       ?       19.844  8.1869  0.000000       8.186905  
1 1 1 4   74  24 o 43.207  7.3545  1152.73    331.845  0.0000     0.0000   1152.73    331.845  ?       ?       43.207  7.3545  0.000000       7.354530  
1 1 1 4   74  25 o 78.416  5.2237  3569.56    441.128  0.0000     0.0000   3569.56    441.128  ?       ?       78.416  5.2237  0.000000       5.223716  
1 1 1 4   74  26 o 13.159  6.2799  -262.6725  249.749  0.0000     0.0000   -262.6725  249.749  ?       ?       13.159  6.2799  0.000000       6.279901  
1 1 1 4   75  0  o 192.387 3.7900  20110.29   789.738  19777.07   1118.57  20441.48   1115.15  190.460 5.4224  193.658 5.3165  -3.197876      7.593919  
1 1 1 4   75  1  o 82.438  2.7840  3687.00    248.582  3702.27    351.299  3671.69    351.798  82.535  3.9298  82.192  3.9518  0.3431625      5.573116  
1 1 1 4   75  2  o 219.072 4.1511  26096.35   984.967  26268.94   1395.62  25925.07   1390.30  219.350 5.8744  217.905 5.8907  1.445358       8.319196  
1 1 1 4   75  3  o 154.283 3.3150  12925.30   553.946  13233.84   785.648  12620.28   781.167  155.912 4.6524  152.240 4.7375  3.671906       6.639921  
1 1 1 4   75  4  o 185.658 3.7153  18732.08   747.106  18579.75   1058.08  18883.53   1055.06  184.570 5.2928  186.087 5.2347  -1.517120      7.444177  
1 1 1 4   75  5  o 100.883 2.8732  5523.65    313.948  5567.19    450.263  5482.46    437.972  101.164 4.1093  100.400 4.0276  0.7638855      5.753936  
1 1 1 4   75  6  o 153.478 3.3411  12796.63   555.403  13112.43   789.779  12487.64   781.206  155.123 4.7007  151.369 4.7649  3.753647       6.693357  
1 1 1 4   75  7  o 191.141 3.7876  19870.09   784.127  20608.76   1112.30  19140.34   1105.58  194.270 5.2862  187.171 5.4536  7.098663       7.595099  
1 1 1 4   75  8  o 209.689 5.7203  24057.07   1299.17  24339.01   1837.75  23775.40   1836.86  209.848 8.0856  207.356 8.1788  2.492386       11.50080  
1 1 1 4   75  9  o 121.230 4.2646  8008.38    559.956  8316.03    812.647  7730.27    772.661  123.142 6.0929  118.593 6.0353  4.549240       8.576015  
1 1 1 4   75  10 o 108.978 4.1258  6472.37    486.986  7158.94    718.152  5887.91    662.602  114.112 5.8300  103.429 5.9397  10.68272       8.322790  
1 1 1 4   75  11 o 112.692 4.4264  6932.52    540.270  6771.66    803.238  7065.43    730.103  110.607 6.7370  113.248 5.9734  -2.640999      9.003790  
1 1 1 4   75  12 o 150.268 3.3621  12289.37   547.201  11673.22   782.781  12878.21   765.236  146.031 4.9491  153.493 4.6029  -7.462692      6.758736  
1 1 1 4   75  13 o 54.782  3.6561  1642.92    215.689  1381.74    339.278  1820.07    279.422  49.620  6.4666  57.516  4.5219  -7.896042      7.890806  
1 1 1 4   75  14 o 73.613  3.2753  2951.72    261.145  2682.01    402.637  3147.57    343.096  69.630  5.3806  75.762  4.1975  -6.132599      6.824245  
1 1 1 4   75  15 o 35.831  2.0275  699.234    78.363   655.765    446.229  700.618    79.600   33.717  10.799  35.863  2.0579  -2.146210      10.99346  
1 1 1 4   75  16 o 48.651  4.3037  1307.69    224.439  562.186    475.286  1521.64    254.616  32.005  11.160  52.457  4.5257  -20.45160      12.04316  
1 1 1 4   75  17 o 23.190  7.0304  305.293    191.910  458.242    429.162  267.064    214.557  29.463  10.574  22.310  7.5069  7.152239       12.96789  
1 1 1 4   75  18 o 84.817  3.2915  3931.36    302.373  3269.59    623.688  4134.71    345.721  75.491  7.7372  86.887  3.6737  -11.39581      8.565035  
1 1 1 4   75  19 o 59.975  2.6012  1961.23    168.975  2002.45    517.985  1956.32    178.754  58.280  8.4526  59.875  2.7564  -1.595581      8.890684  
1 1 1 4   75  20 o 41.091  1.9637  918.939    87.396   824.119    464.043  922.426    88.989   35.832  10.948  41.165  1.9959  -5.333721      11.12811  
1 1 1 4   75  21 o 48.946  4.3555  1346.79    228.489  1150.24    492.143  1400.79    257.978  41.538  10.828  49.709  4.8535  -8.171719      11.86618  
1 1 1 4   75  22 o 22.169  7.2820  287.641    202.174  10.452     439.893  361.872    227.641  21.598  9.5492  24.458  7.7003  -2.860552      12.26708  
1 1 1 4   75  23 o 36.312  7.6571  820.399    291.665  0.0000     0.0000   820.399    291.665  ?       ?       36.312  7.6571  0.000000       7.657088  
1 1 1 4   75  24 o 27.750  9.0070  503.558    309.641  0.0000     0.0000   503.558    309.641  ?       ?       27.750  9.0070  0.000000       9.006957  
1 1 1 4   75  25 o 31.075  8.7095  646.351    304.913  0.0000     0.0000   646.351    304.913  ?       ?       31.075  8.7095  0.000000       8.709471  
1 1 1 4   76  0  o 89.601  2.8337  4356.46    275.000  4464.87    391.662  4251.05    386.214  90.620  3.9904  88.420  4.0328  2.200294       5.673337  
1 1 1 4   76  1  o 129.221 3.0693  9064.21    429.582  8643.74    610.171  9477.45    604.903  126.021 4.4703  131.993 4.2312  -5.971886      6.155218  
1 1 1 4   76  2  o 70.593  2.8289  2704.26    216.299  2728.96    308.807  2680.47    303.059  70.725  4.0481  70.096  4.0084  0.6282272      5.696867  
1 1 1 4   76  3  o 63.032  2.8830  2156.28    196.820  1995.86    291.708  2290.34    266.667  60.384  4.4924  64.797  3.8165  -4.413532      5.894672  
1 1 1 4   76  4  o 57.576  2.3573  1797.98    147.003  1652.58    176.515  2127.07    265.557  55.095  2.9690  62.416  3.9486  -7.320465      4.940233  
1 1 1 4   76  5  o 51.146  3.1789  1426.15    175.226  1489.69    258.030  1371.77    238.709  52.088  4.6216  49.993  4.4552  2.095169       6.419366  
1 1 1 4   76  6  o 145.243 3.2202  11459.63   506.579  12023.11   721.537  10911.88   711.394  148.556 4.4843  141.494 4.6420  7.061630       6.454221  
1 1 1 4   76  7  f 124.325 3.0432  8394.90    409.793  8696.32    584.747  8103.99    574.460  126.360 4.2726  121.968 4.3485  4.391685       6.096271  
1 1 1 4   76  8  f 28.704  4.8050  461.587    144.106  309.642    238.146  549.365    181.007  24.108  7.9026  31.235  5.5539  -7.127100      9.659008  
1 1 1 4   76  9  o 69.374  4.1576  2631.96    310.959  2957.28    479.911  2396.54    408.253  73.156  6.1128  65.880  5.7799  7.276093       8.412655  
1 1 1 4   76  10 o 176.274 5.1053  17001.91   974.724  18055.95   1396.80  16001.44   1360.84  180.774 7.1339  170.056 7.3883  10.71773       10.27032  
1 1 1 4   76  11 o 117.189 4.3290  7496.48    549.470  7546.48    809.922  7453.85    747.913  116.858 6.4237  116.300 5.9575  0.5584869      8.760985  
1 1 1 4   76  12 o 102.202 4.3267  5705.68    478.950  5446.26    702.316  5931.22    654.847  99.089  6.5813  103.675 5.8556  -4.586243      8.809208  
1 1 1 4   76  13 o 112.835 3.1423  6929.98    384.021  6580.89    556.448  7247.45    530.645  109.616 4.6868  115.147 4.2548  -5.531059      6.330086  
1 1 1 4   76  14 o 21.411  7.3436  236.828    205.373  19.456     324.778  381.661    265.105  20.004  8.5240  26.167  8.3177  -6.162474      11.90980  
1 1 1 4   76  15 o 17.364  2.3707  166.872    43.421   482.411    479.892  164.267    43.600   30.709  11.159  17.220  2.4031  13.48893       11.41527  
1 1 1 4   76  16 o 22.684  6.7188  292.592    176.787  262.019    427.825  298.888    194.137  26.085  10.284  23.031  7.0884  3.054022       12.49011  
1 1 1 4   76  17 o 52.279  3.8789  1505.37    218.072  1426.34    495.331  1524.37    242.876  48.850  9.7039  52.508  4.3086  -3.658207      10.61746  
1 1 1 4   76  18 o 83.883  3.3296  3848.74    302.510  3329.25    624.099  4008.27    345.855  76.082  7.6786  85.494  3.7350  -9.412247      8.538787  
1 1 1 4   76  19 o 31.669  6.4630  586.545    214.184  354.151    454.819  652.768    242.790  27.440  10.666  33.285  6.9585  -5.845127      12.73505  
1 1 1 4   76  20 o 44.390  4.9195  1115.86    232.546  1224.62    566.984  1093.86    254.979  42.638  11.850  43.709  5.5083  -1.070770      13.06809  
1 1 1 4   76  21 o 14.447  6.3676  -31.0620   194.109  -612.9965  432.643  115.600    217.196  16.157  7.8478  18.077  7.2609  -1.919516      10.69148  
1 1 1 4   76  22 o 16.136  6.9969  6.0369     226.226  0.0000     0.0000   6.0369     226.226  ?       ?       16.136  6.9969  0.000000       6.996949  
1 1 1 4   76  23 o 22.282  8.2914  272.465    267.503  0.0000     0.0000   272.465    267.503  ?       ?       22.282  8.2914  0.000000       8.291415  
1 1 1 4   76  24 o 17.237  7.5488  10.663     268.916  0.0000     0.0000   10.663     268.916  ?       ?       17.237  7.5488  0.000000       7.548832  
1 1 1 4   76  25 o 18.422  7.9299  65.204     286.313  0.0000     0.0000   65.204     286.313  ?       ?       18.422  7.9299  0.000000       7.929875  
1 1 1 4   77  0  o 90.003  2.7687  4395.86    269.897  4332.93    383.768  4457.45    379.648  89.260  3.9696  90.542  3.8713  -1.282829      5.544778  
1 1 1 4   77  1  o 175.594 3.5873  16756.01   682.263  16632.67   966.072  16878.73   963.662  174.636 5.1075  175.936 5.0571  -1.299164      7.187510  
1 1 1 4   77  2  o 78.410  2.8296  3336.84    240.305  3295.88    347.516  3374.38    332.656  77.720  4.1432  78.772  3.8990  -1.051346      5.689344  
1 1 1 4   77  3  o 99.041  2.8568  5324.35    306.457  5216.45    431.897  5433.77    434.909  97.916  4.0725  99.941  4.0178  -2.024940      5.720781  
1 1 1 4   77  4  o 147.790 3.2524  11864.91   520.615  12199.23   740.093  11537.44   732.487  149.636 4.5665  145.505 4.6479  4.131088       6.515776  
1 1 1 4   77  5  o 160.497 3.4081  13998.55   592.451  14052.48   841.692  13945.60   834.065  160.522 4.8411  159.917 4.8154  0.6057281      6.828254  
1 1 1 4   77  6  o 143.822 3.2417  11238.99   504.980  11484.11   717.861  10998.88   710.495  145.147 4.5663  142.037 4.6184  3.110092       6.494640  
1 1 1 4   77  7  o 73.087  2.8986  2900.94    229.453  2700.78    335.986  3075.88    314.109  70.251  4.4385  75.077  3.8760  -4.826035      5.892739  
1 1 1 4   77  8  o 50.102  3.2038  1369.92    172.943  1440.19    264.349  1317.34    228.669  51.133  4.8304  48.964  4.3574  2.169121       6.505340  
1 1 1 4   77  9  o 65.069  3.2259  2302.20    227.348  2000.35    362.801  2497.38    291.732  60.151  5.6344  67.581  4.0034  -7.429852      6.911816  
1 1 1 4   77  10 o 28.253  5.6727  453.203    167.559  798.491    282.905  266.629    207.958  37.392  7.2470  22.403  7.3868  14.98966       10.34811  
1 1 1 4   77  11 o 75.753  4.4541  3145.89    363.843  2965.72    552.773  3283.62    483.299  72.864  7.0943  77.072  5.8328  -4.208054      9.184255  
1 1 1 4   77  12 f 20.882  7.3698  214.594    207.633  273.833    388.261  190.867    245.722  25.836  9.9049  21.138  7.9307  4.698507       12.68866  
1 1 1 4   77  13 f 18.568  7.3462  110.887    219.028  -217.0211  540.732  175.247    239.560  22.887  10.319  20.595  7.8075  2.292692       12.93953  
1 1 1 4   77  14 o 51.837  5.9346  1504.20    327.190  1555.04    591.234  1481.75    392.826  50.890  11.044  51.020  7.3182  -0.1302490     13.24834  
1 1 1 4   77  15 o ?       ?       -155.7566  28.675   -99.7747   435.560  -156.0003  28.738   21.366  9.4715  ?       ?       0.000000       9.471481  
1 1 1 4   77  16 o 35.200  5.4950  701.190    202.658  380.283    503.665  763.181    221.368  29.158  11.255  36.682  5.7617  -7.523809      12.64362  
1 1 1 4   77  17 o 79.332  3.3487  3439.60    287.738  4008.07    644.639  3298.16    321.547  84.020  7.1518  77.575  3.8269  6.444679       8.111324  
1 1 1 4   77  18 o 54.444  4.0917  1640.07    239.516  1535.73    506.610  1670.11    271.813  50.373  9.6366  54.784  4.6241  -4.410454      10.68861  
1 1 1 4   77  19 o 20.531  7.1737  223.469    196.418  197.619    440.681  229.878    219.419  24.651  10.176  21.099  7.5621  3.551414       12.67828  
1 1 1 4   77  20 o 23.449  7.3679  324.683    208.526  351.171    446.199  317.282    235.868  26.623  10.500  23.438  7.8709  3.184381       13.12278  
1 1 1 4   77  21 o 37.268  5.5221  805.324    216.158  417.106    471.561  908.596    243.216  27.699  10.834  39.468  5.8682  -11.76823      12.32138  
1 1 1 4   77  22 o 89.349  4.5493  4503.97    438.801  0.0000     0.0000   4503.97    438.801  ?       ?       89.349  4.5493  0.000000       4.549327  
1 1 1 4   77  23 o 53.437  5.8380  1675.21    332.394  0.0000     0.0000   1675.21    332.394  ?       ?       53.437  5.8380  0.000000       5.838000  
1 1 1 4   77  24 o 25.425  8.4739  412.675    273.406  0.0000     0.0000   412.675    273.406  ?       ?       25.425  8.4739  0.000000       8.473908  
1 1 1 4   77  25 o 26.209  9.1544  447.508    319.841  0.0000     0.0000   447.508    319.841  ?       ?       26.209  9.1544  0.000000       9.154362  
1 1 1 4   78  0  o 129.613 3.0522  9122.04    428.484  8966.76    606.060  9277.22    605.874  128.329 4.3604  130.543 4.2851  -2.214737      6.113470  
1 1 1 4   78  1  o 80.627  2.5200  3526.90    220.063  3489.24    287.173  3580.49    342.524  80.143  3.3083  81.135  3.8978  -0.9919662     5.112491  
1 1 1 4   78  2  o 173.199 3.5442  16304.71   664.867  16191.27   943.333  16416.69   937.225  172.272 5.0557  173.484 4.9879  -1.212128      7.102032  
1 1 1 4   78  3  o 136.314 3.1233  10091.90   461.123  10336.33   654.649  9851.19    649.633  137.761 4.3874  134.477 4.4602  3.284592       6.256414  
1 1 1 4   78  4  o 118.755 2.9743  7658.06    382.561  8004.69    548.065  7328.70    534.246  121.254 4.1732  116.010 4.2518  5.244537       5.957626  
1 1 1 4   78  5  o 65.393  2.3767  2319.97    168.332  2340.52    208.329  2281.32    285.715  65.651  2.9298  64.602  4.1047  1.049171       5.043036  
1 1 1 4   78  6  o 92.426  2.8627  4639.00    286.577  4853.31    411.709  4437.58    399.145  94.409  4.0263  90.268  4.0825  4.140907       5.733910  
1 1 1 4   78  7  o 64.466  2.3803  2255.22    166.201  2205.82    205.745  2347.98    281.955  63.719  2.9812  65.538  3.9911  -1.818977      4.981574  
1 1 1 4   78  8  o 31.293  4.7004  546.395    154.388  450.621    243.892  610.433    199.432  28.088  7.7597  32.891  5.8106  -4.803173      9.694117  
1 1 1 4   78  9  o 42.124  4.3129  978.093    194.001  1093.66    295.459  890.506    257.218  44.148  6.3627  39.799  6.1664  4.348335       8.860556  
1 1 1 4   78  10 o 80.569  3.1469  3530.58    274.611  3596.29    406.082  3475.22    372.770  80.979  4.6494  79.665  4.3365  1.314034       6.357817  
1 1 1 4   78  11 o 69.190  3.3729  2606.63    252.766  2312.57    393.703  2812.83    329.686  64.613  5.6835  71.635  4.2686  -7.021416      7.107949  
1 1 1 4   78  12 o 58.367  5.3227  1886.99    332.787  2179.85    589.909  1750.29    403.045  61.543  9.1264  55.796  6.8106  5.747131       11.38750  
1 1 1 4   78  13 o 44.453  6.9608  1124.12    324.143  1058.15    582.832  1153.66    390.026  41.861  12.144  44.605  8.3809  -2.743458      14.75494  
1 1 1 4   78  14 o 34.916  8.7724  718.248    331.336  375.581    565.424  897.454    408.897  30.210  11.850  38.828  9.7397  -8.618259      15.33925  
1 1 1 4   78  15 o 46.351  7.9483  1244.81    384.663  0.0000     0.0000   1244.81    384.663  ?       ?       46.351  7.9483  0.000000       7.948319  
1 1 1 4   78  16 o 71.341  3.8521  2795.19    296.550  0.0000     0.0000   2795.19    296.550  ?       ?       71.341  3.8521  0.000000       3.852127  
1 1 1 4   78  17 f 85.925  3.2882  4036.61    306.020  3577.76    676.068  4154.85    343.191  78.722  8.0421  87.082  3.6386  -8.360428      8.826896  
1 1 1 4   78  18 o 14.715  6.4571  -33.8579   197.619  -30.2071   483.905  -34.5886   216.495  22.845  10.062  15.410  6.7603  7.435120       12.12230  
1 1 1 4   78  19 o 19.825  7.3946  187.875    213.018  225.650    496.230  179.342    235.854  25.791  10.735  20.108  7.7172  5.683136       13.22096  
1 1 1 4   78  20 o 20.228  7.3967  209.827    211.302  216.540    446.064  207.884    239.930  24.541  10.193  20.708  7.8225  3.832113       12.84867  
1 1 1 4   78  21 o 26.692  6.9431  433.491    202.630  -81.1378   458.681  558.277    225.865  21.025  9.4890  30.289  7.0217  -9.263596      11.80450  
1 1 1 4   78  22 o 46.000  5.8654  1238.95    285.578  0.0000     0.0000   1238.95    285.578  ?       ?       46.000  5.8654  0.000000       5.865409  
1 1 1 4   78  23 o 24.760  8.5757  377.975    280.396  0.0000     0.0000   377.975    280.396  ?       ?       24.760  8.5757  0.000000       8.575655  
1 1 1 4   78  24 o 16.803  7.6272  -83.6552   301.428  0.0000     0.0000   -83.6552   301.428  ?       ?       16.803  7.6272  0.000000       7.627248  
1 1 1 4   79  0  f 32.504  4.1477  584.289    142.690  740.084    207.030  443.314    196.937  36.421  5.4127  27.878  6.6207  8.543238       8.551674  
1 1 1 4   79  1  o 71.467  2.8389  2772.75    219.744  2591.30    314.727  2945.35    306.950  68.857  4.2407  73.480  3.8705  -4.622871      5.741394  
1 1 1 4   79  2  o 79.688  2.8383  3447.54    244.976  3496.83    354.604  3402.55    338.829  80.044  4.1040  78.974  3.9739  1.069923       5.712683  
1 1 1 4   79  3  o 169.881 3.5196  15690.46   647.608  15597.59   919.373  15781.92   912.378  169.035 5.0216  170.049 4.9537  -1.014038      7.053788  
1 1 1 4   79  4  o 62.325  2.2905  2107.26    154.622  2176.95    184.839  1944.84    282.190  63.327  2.6949  59.578  4.4043  3.748962       5.163334  
1 1 1 4   79  5  o 66.549  2.9335  2405.52    211.446  2284.81    306.646  2514.94    291.954  64.591  4.4096  67.846  3.9906  -3.254448      5.947222  
1 1 1 4   79  6  o 175.655 3.5911  16787.90   683.223  16728.42   968.802  16846.76   963.665  174.924 5.1135  175.556 5.0680  -0.6322479     7.199477  
1 1 1 4   79  7  o 166.271 3.4814  15041.04   626.952  14928.58   892.033  15150.82   881.351  165.249 4.9839  166.504 4.8871  -1.255630      6.980231  
1 1 1 4   79  8  o 44.375  1.6631  1067.58    79.935   1115.98    86.142   767.605    214.458  45.367  1.7531  37.034  5.5147  8.332966       5.786661  
1 1 1 4   79  9  o 33.611  4.9201  630.776    173.808  752.147    281.133  555.683    221.133  36.217  7.4164  31.151  6.7490  5.065664       10.02758  
1 1 1 4   79  10 o 64.542  2.4173  2262.05    168.985  2292.73    201.019  2188.13    312.016  64.943  2.8578  63.093  4.5975  1.850071       5.413336  
1 1 1 4   79  11 o 154.603 3.4441  13021.91   576.727  12611.87   830.961  13402.99   801.089  151.627 5.0598  156.438 4.7279  -4.810196      6.924928  
1 1 1 4   79  12 o 76.903  3.4261  3223.71    285.371  2699.08    449.899  3576.88    369.132  69.653  6.0228  80.760  4.2348  -11.10722      7.362558  
1 1 1 4   79  13 o 36.540  5.4556  751.298    209.300  643.086    366.858  803.518    254.846  33.135  9.6409  37.543  6.5028  -4.408501      11.62899  
1 1 1 4   79  14 o 34.024  8.1265  679.306    295.357  464.393    563.661  760.650    346.776  31.403  11.959  35.847  8.9570  -4.444096      14.94145  
1 1 1 4   79  15 f 21.145  9.1288  -0.6916    381.691  0.0000     0.0000   -0.6916    381.691  ?       ?       21.145  9.1288  0.000000       9.128792  
1 1 1 4   79  16 o 72.886  4.5361  2935.54    356.315  0.0000     0.0000   2935.54    356.315  ?       ?       72.886  4.5361  0.000000       4.536069  
1 1 1 4   79  17 o 65.443  4.8433  2383.36    340.866  0.0000     0.0000   2383.36    340.866  ?       ?       65.443  4.8433  0.000000       4.843328  
1 1 1 4   79  18 o 22.101  7.7312  261.874    228.163  0.0000     0.0000   261.874    228.163  ?       ?       22.101  7.7312  0.000000       7.731169  
1 1 1 4   79  19 f 77.544  3.5192  3316.40    295.571  2970.29    647.307  3407.58    332.227  69.832  8.7504  78.436  3.9107  -8.603851      9.584477  
1 1 1 4   79  20 o 16.609  7.0059  45.488     215.702  118.895    497.816  28.520     239.337  24.109  10.417  17.027  7.2878  7.082602       12.71319  
1 1 1 4   79  21 o 40.142  6.3307  953.562    266.128  0.0000     0.0000   953.562    266.128  ?       ?       40.142  6.3307  0.000000       6.330707  
1 1 1 4   79  22 o 31.996  8.6971  662.758    309.299  0.0000     0.0000   662.758    309.299  ?       ?       31.996  8.6971  0.000000       8.697051  
1 1 1 4   79  23 o 24.127  8.5723  352.862    281.371  0.0000     0.0000   352.862    281.371  ?       ?       24.127  8.5723  0.000000       8.572260  
1 1 1 4   79  24 o 18.391  7.6760  103.435    254.727  0.0000     0.0000   103.435    254.727  ?       ?       18.391  7.6760  0.000000       7.676003  
1 1 1 4   80  0  o 94.738  2.8225  4873.05    289.622  5064.67    409.056  4680.43    410.121  96.468  3.9150  92.716  4.0840  3.751686       5.657403  
1 1 1 4   80  1  o 91.043  2.6225  4498.88    258.599  4346.02    346.754  4690.42    388.167  89.397  3.5812  92.840  3.8602  -3.443306      5.265602  
1 1 1 4   80  2  o 121.037 2.9869  7957.25    391.567  8243.52    556.542  7676.63    551.019  123.022 4.1768  118.699 4.2860  4.323395       5.984592  
1 1 1 4   80  3  o 74.320  2.7816  2999.16    223.906  3087.06    323.103  2917.94    310.572  75.194  3.9814  73.106  3.9368  2.087982       5.599078  
1 1 1 4   80  4  o 138.515 3.1631  10427.39   474.544  10391.48   673.016  10462.90   669.213  138.026 4.5019  138.509 4.4608  -0.4825287     6.337665  
1 1 1 4   80  5  o 129.721 3.0962  9145.20    435.016  8923.18    619.479  9361.20    611.018  127.892 4.4721  131.029 4.3054  -3.136406      6.207775  
1 1 1 4   80  6  o 85.597  2.8635  3980.27    265.480  3449.98    379.115  4490.52    371.880  79.399  4.4261  90.813  3.7808  -11.41409      5.821054  
1 1 1 4   80  7  o 132.073 3.1676  9484.31    453.121  9356.21    650.113  9605.33    631.895  130.892 4.5857  132.668 4.3975  -1.775574      6.353494  
1 1 1 4   80  8  o 58.705  3.3460  1881.18    211.869  1823.45    305.637  1934.59    293.960  57.522  4.9540  59.328  4.6109  -1.805790      6.767756  
1 1 1 4   80  9  o 159.623 3.4476  13873.25   596.042  13896.81   849.086  13850.36   836.908  159.313 4.9207  159.069 4.8576  0.2442932      6.914474  
1 1 1 4   80  10 o 122.545 3.1637  8172.81    419.912  8363.38    609.136  8000.25    579.651  123.643 4.5486  120.961 4.4244  2.681076       6.345433  
1 1 1 4   80  11 o 71.147  3.4619  2758.99    266.774  2842.16    397.536  2690.85    359.828  71.757  5.1492  69.903  4.7812  1.853920       7.026670  
1 1 1 4   80  12 o 110.583 3.2551  6663.34    389.871  6551.96    573.905  6758.79    531.281  109.246 4.8503  111.086 4.4157  -1.839661      6.559191  
1 1 1 4   80  13 o 106.112 3.2539  6139.09    373.970  6059.19    555.303  6205.40    505.892  104.977 4.8839  106.390 4.3902  -1.412834      6.567083  
1 1 1 4   80  14 o 123.334 3.2953  8300.05    440.191  7558.47    649.564  8929.83    598.603  117.074 5.1226  127.579 4.3320  -10.50503      6.708765  
1 1 1 4   80  15 o 62.902  2.5391  2153.11    172.986  2069.89    404.993  2171.69    191.317  60.644  6.2557  63.140  2.7976  -2.496113      6.852736  
1 1 1 4   80  16 o 44.532  5.8957  1123.88    277.376  0.0000     0.0000   1123.88    277.376  ?       ?       44.532  5.8957  0.000000       5.895672  
1 1 1 4   80  17 o 55.351  4.9718  1715.42    294.886  0.0000     0.0000   1715.42    294.886  ?       ?       55.351  4.9718  0.000000       4.971776  
1 1 1 4   80  18 o 86.583  4.4804  4178.38    418.729  0.0000     0.0000   4178.38    418.729  ?       ?       86.583  4.4804  0.000000       4.480424  
1 1 1 4   80  19 o 77.892  4.8358  3415.77    405.963  0.0000     0.0000   3415.77    405.963  ?       ?       77.892  4.8358  0.000000       4.835848  
1 1 1 4   80  20 o 37.253  6.7183  827.761    261.103  0.0000     0.0000   827.761    261.103  ?       ?       37.253  6.7183  0.000000       6.718349  
1 1 1 4   80  21 o 21.094  8.3139  199.813    279.556  0.0000     0.0000   199.813    279.556  ?       ?       21.094  8.3139  0.000000       8.313947  
1 1 1 4   80  22 o 32.939  7.8107  684.696    274.431  0.0000     0.0000   684.696    274.431  ?       ?       32.939  7.8107  0.000000       7.810700  
1 1 1 4   80  23 o 25.068  8.7408  392.429    291.536  0.0000     0.0000   392.429    291.536  ?       ?       25.068  8.7408  0.000000       8.740825  
1 1 1 4   81  0  o 18.634  5.4992  192.950    118.612  212.436    170.717  174.765    164.919  20.157  6.6950  18.850  6.5741  1.307339       9.383039  
1 1 1 4   81  1  o 76.995  2.7983  3219.31    233.358  3015.84    336.964  3406.83    323.486  74.277  4.2057  79.117  3.7750  -4.839478      5.651448  
1 1 1 4   81  2  o 228.210 4.5403  28411.67   1122.26  29272.06   1708.35  27758.49   1488.50  230.572 6.8407  224.906 6.1105  5.666367       9.172412  
1 1 1 4   81  3  o 219.595 4.1783  26280.77   993.789  25762.05   1408.24  26795.36   1402.64  216.691 6.0002  221.061 5.8582  -4.369965      8.385756  
1 1 1 4   81  4  o 128.916 3.0873  9032.20    431.078  8737.84    613.761  9318.79    605.594  126.551 4.4778  130.733 4.2769  -4.181808      6.192121  
1 1 1 4   81  5  o 96.272  2.8254  5034.60    294.608  5377.55    426.883  4722.70    407.098  99.349  3.9671  93.094  4.0375  6.255424       5.660299  
1 1 1 4   81  6  o 155.262 3.3847  13114.88   569.190  13567.82   814.422  12682.40   795.813  157.565 4.7722  152.322 4.8237  5.242950       6.785410  
1 1 1 4   81  7  o 211.027 4.0519  24283.30   926.122  24013.13   1312.51  24551.20   1306.98  209.100 5.7953  211.474 5.7061  -2.374725      8.132998  
1 1 1 4   81  8  o 69.247  3.1588  2608.54    236.919  2604.40    341.275  2612.40    329.162  68.870  4.6016  69.011  4.4271  -0.1415024     6.385438  
1 1 1 4   81  9  o 53.211  2.4695  1537.91    142.326  1486.48    162.757  1705.05    293.402  52.207  2.8896  55.575  4.9253  -3.368343      5.710389  
1 1 1 4   81  10 o 42.592  4.9283  1007.66    223.151  812.868    344.012  1149.17    293.207  37.307  8.6773  45.231  6.1441  -7.923840      10.63229  
1 1 1 4   81  11 f 41.371  4.6554  949.616    204.979  969.040    331.621  937.607    260.757  40.994  7.7528  40.764  6.0928  0.2299232      9.860409  
1 1 1 4   81  12 o 29.152  2.2586  464.428    70.758   743.025    349.200  452.499    72.257   35.492  9.0547  28.763  2.3396  6.728098       9.352116  
1 1 1 4   81  13 o 44.633  4.6153  1105.39    219.891  876.255    369.065  1231.50    273.793  38.472  9.0147  46.913  5.4923  -8.441841      10.55601  
1 1 1 4   81  14 o 64.518  3.7656  2284.61    261.998  2491.19    408.468  2140.22    341.503  66.827  5.6978  62.085  5.1243  4.741535       7.663115  
1 1 1 4   81  15 o 21.194  2.0187  246.251    45.780   655.054    351.127  239.182    46.174   33.113  9.3694  20.878  2.0692  12.23448       9.595170  
1 1 1 4   81  16 o 12.634  5.7571  -101.2923  173.855  84.008     412.770  -141.2544  191.688  22.823  9.6627  12.814  5.9148  10.00912       11.32926  
1 1 1 4   81  17 o 60.875  4.5611  2066.88    298.543  1391.14    576.401  2314.62    349.003  46.348  11.530  64.229  5.0577  -17.88131      12.59013  
1 1 1 4   81  18 o 30.472  8.8799  576.281    311.013  0.0000     0.0000   576.281    311.013  ?       ?       30.472  8.8799  0.000000       8.879928  
1 1 1 4   81  19 o 58.373  5.2489  1938.58    328.311  0.0000     0.0000   1938.58    328.311  ?       ?       58.373  5.2489  0.000000       5.248932  
1 1 1 4   81  20 o 69.895  5.4495  2796.96    409.289  0.0000     0.0000   2796.96    409.289  ?       ?       69.895  5.4495  0.000000       5.449545  
1 1 1 4   81  21 o 33.545  8.4117  717.396    305.063  0.0000     0.0000   717.396    305.063  ?       ?       33.545  8.4117  0.000000       8.411746  
1 1 1 4   81  22 o 24.078  8.8112  339.801    299.927  0.0000     0.0000   339.801    299.927  ?       ?       24.078  8.8112  0.000000       8.811168  
1 1 1 4   81  23 f 22.852  8.5151  296.920    282.321  0.0000     0.0000   296.920    282.321  ?       ?       22.852  8.5151  0.000000       8.515077  
1 1 1 4   82  0  o 120.055 3.0090  7831.43    391.268  7735.58    555.827  7925.58    550.880  119.112 4.3084  120.582 4.2180  -1.470818      6.029391  
1 1 1 4   82  1  o 82.991  2.8414  3741.03    255.409  3766.43    355.646  3713.98    367.030  83.157  3.9486  82.557  4.1047  0.6001053      5.695608  
1 1 1 4   82  2  o 113.227 2.9556  6965.46    362.463  6737.26    511.870  7194.96    513.335  111.163 4.2514  114.900 4.1249  -3.736565      5.923556  
1 1 1 4   82  3  o 66.791  2.9223  2423.74    211.401  2465.12    307.356  2386.58    291.227  67.106  4.2507  66.050  4.0910  1.055611       5.899547  
1 1 1 4   82  4  o 56.149  3.0694  1718.75    185.961  1926.81    272.041  1536.25    254.783  59.287  4.2649  52.866  4.4921  6.421082       6.194278  
1 1 1 4   82  5  o 52.764  3.2950  1520.20    187.363  1635.79    297.466  1444.19    241.227  54.441  5.1044  51.257  4.3874  3.183502       6.730853  
1 1 1 4   82  6  o 87.977  2.9741  4207.37    283.400  3963.07    408.937  4433.12    393.109  85.074  4.4535  90.167  4.0253  -5.092567      6.003054  
1 1 1 4   82  7  o 145.280 3.3163  11486.88   521.838  10915.03   757.824  12002.54   719.636  141.189 4.9556  148.203 4.4832  -7.014084      6.682570  
1 1 1 4   82  8  o 35.494  4.5151  699.663    169.646  557.571    259.997  805.008    223.869  31.047  7.7547  37.876  5.6282  -6.828568      9.581853  
1 1 1 4   82  9  o 123.494 3.2172  8303.17    430.320  8258.80    615.129  8345.70    602.206  122.816 4.6242  123.496 4.5022  -0.6795807     6.453924  
1 1 1 4   82  10 o 117.857 3.2332  7565.73    412.719  7336.73    591.755  7782.65    575.913  115.684 4.7228  119.226 4.4598  -3.542297      6.495753  
1 1 1 4   82  11 o 72.589  3.4562  2873.78    271.729  3430.05    415.579  2458.36    359.136  78.881  4.8883  66.700  5.0077  12.18069       6.998045  
1 1 1 4   82  12 o 73.653  3.5171  2961.40    280.572  3092.36    429.144  2863.62    370.797  74.697  5.3396  72.033  4.7798  2.663643       7.166398  
1 1 1 4   82  13 o 91.189  3.3904  4538.93    334.863  4528.72    515.904  4546.37    440.192  90.431  5.2903  91.000  4.4661  -0.5690536     6.923368  
1 1 1 4   82  14 o 60.664  3.7801  2022.23    247.141  2073.83    402.135  1990.91    313.289  60.711  6.2026  59.906  4.8706  0.8049965      7.886371  
1 1 1 4   82  15 o 53.771  4.3765  1602.09    252.677  1520.53    395.514  1658.34    328.439  51.355  7.3176  54.308  5.6672  -2.952408      9.255484  
1 1 1 4   82  16 o 54.922  4.5630  1680.70    268.978  1364.70    502.728  1807.45    318.382  46.935  10.182  56.721  5.2417  -9.786743      11.45219  
1 1 1 4   82  17 o 60.490  3.7434  2025.38    244.053  1945.47    552.778  2044.72    271.998  56.246  9.4060  60.624  4.1677  -4.378120      10.28796  
1 1 1 4   82  18 o 23.541  7.1105  328.290    196.573  531.634    500.911  291.274    213.717  30.151  11.321  22.549  7.4909  7.602093       13.57499  
1 1 1 4   82  19 f 55.206  5.2275  1736.86    308.852  2192.05    573.985  1551.35    366.419  59.222  9.2510  51.314  6.7572  7.908676       11.45602  
1 1 1 4   82  20 o 82.441  4.6409  3834.26    412.709  0.0000     0.0000   3834.26    412.709  ?       ?       82.441  4.6409  0.000000       4.640861  
1 1 1 4   82  21 o 20.621  8.3283  172.559    287.459  0.0000     0.0000   172.559    287.459  ?       ?       20.621  8.3283  0.000000       8.328290  
1 1 1 4   82  22 o 43.538  7.2548  1166.07    330.069  0.0000     0.0000   1166.07    330.069  ?       ?       43.538  7.2548  0.000000       7.254754  
1 1 1 4   82  23 o 26.018  8.7503  431.465    291.521  0.0000     0.0000   431.465    291.521  ?       ?       26.018  8.7503  0.000000       8.750322  
1 1 1 4   83  0  o 115.673 2.9607  7270.68    370.939  7401.00    524.738  7140.52    524.435  116.515 4.1581  114.432 4.2313  2.082230       5.932403  
1 1 1 4   83  1  o 69.152  2.8569  2597.89    213.979  2368.46    309.302  2808.49    296.337  65.747  4.3683  71.709  3.8293  -5.962212      5.809094  
1 1 1 4   83  2  f 62.950  2.9370  2153.31    200.246  2057.47    297.423  2232.77    270.823  61.229  4.5167  63.896  3.9323  -2.667538      5.988680  
1 1 1 4   83  3  o 79.489  2.8068  3432.63    241.652  3092.11    346.719  3754.30    336.986  75.167  4.2764  83.027  3.7473  -7.859879      5.685928  
1 1 1 4   83  4  f 80.541  2.7728  3524.20    241.885  3357.25    347.798  3680.59    336.628  78.356  4.1125  82.197  3.7812  -3.841118      5.586581  
1 1 1 4   83  5  o 49.773  3.3836  1354.40    181.321  1422.11    271.535  1299.91    243.589  50.731  5.0071  48.542  4.6915  2.188313       6.861618  
1 1 1 4   83  6  o 61.607  3.2653  2071.06    217.104  2053.19    318.123  2086.65    297.025  61.062  4.8501  61.634  4.4800  -0.5726624     6.602548  
1 1 1 4   83  7  o 13.930  5.8851  10.764     152.590  -112.4236  230.406  107.006    203.653  14.936  6.7344  18.044  7.1011  -3.108130      9.786615  
1 1 1 4   83  8  o 105.226 2.9766  6023.59    339.247  5993.41    507.814  6047.92    455.908  104.664 4.4796  105.247 3.9994  -0.5835648     6.005156  
1 1 1 4   83  9  o 153.341 3.4457  12815.93   572.275  12567.18   818.000  13054.39   800.909  151.314 4.9912  154.300 4.7923  -2.985718      6.919419  
1 1 1 4   83  10 o 133.725 3.3161  9746.02    480.296  9235.08    685.497  10238.73   673.153  129.694 4.8800  136.682 4.5471  -6.988571      6.670075  
1 1 1 4   83  11 f 86.242  3.2948  4055.45    307.764  3708.85    468.456  4318.64    408.223  81.867  5.3118  88.797  4.2445  -6.929695      6.799327  
1 1 1 4   83  12 o 83.146  3.3860  3772.66    304.927  3750.07    478.182  3788.15    395.854  82.248  5.3977  82.981  4.4203  -0.7324142     6.976749  
1 1 1 4   83  13 o 37.914  5.3839  809.500    214.879  825.830    380.311  801.842    260.432  37.178  9.4303  37.368  6.6798  -0.1904373     11.55638  
1 1 1 4   83  14 o 27.451  1.4395  409.920    42.652   89.860     348.197  414.796    42.976   21.516  8.9769  27.614  1.4419  -6.098612      9.091964  
1 1 1 4   83  15 o 63.377  3.8578  2214.61    263.554  1892.12    438.141  2397.46    329.916  57.288  7.2217  65.686  4.6677  -8.397438      8.598794  
1 1 1 4   83  16 o 73.018  3.9880  2950.55    314.203  2398.56    573.274  3187.57    375.650  63.407  8.5668  75.636  4.6075  -12.22863      9.727201  
1 1 1 4   83  17 o 59.789  3.6445  1979.06    234.884  1217.83    519.610  2174.56    263.324  43.051  11.079  62.583  3.9042  -19.53211      11.74665  
1 1 1 4   83  18 o 19.761  7.2876  194.410    205.738  660.148    503.094  100.880    225.452  32.261  11.462  18.053  7.3452  14.20776       13.61399  
1 1 1 4   83  19 o 51.294  4.5131  1483.83    248.179  973.003    562.575  1607.26    276.543  37.338  12.142  53.240  4.8489  -15.90226      13.07407  
1 1 1 4   83  20 o 37.109  8.1123  862.225    316.962  0.0000     0.0000   862.225    316.962  ?       ?       37.109  8.1123  0.000000       8.112286  
1 1 1 4   83  21 o 40.063  7.4910  991.216    313.105  0.0000     0.0000   991.216    313.105  ?       ?       40.063  7.4910  0.000000       7.490978  
1 1 1 4   83  22 o 34.049  8.4886  751.579    311.958  0.0000     0.0000   751.579    311.958  ?       ?       34.049  8.4886  0.000000       8.488577  
1 1 1 4   84  0  o 109.334 2.9420  6496.70    348.396  6107.72    490.987  6891.18    494.445  105.801 4.2846  112.425 4.0605  -6.623901      5.903028  
1 1 1 4   84  1  f 68.843  2.8919  2575.51    215.635  2333.01    297.016  2845.80    313.565  65.261  4.2246  72.138  4.0293  -6.876976      5.838063  
1 1 1 4   84  2  o 52.181  3.1975  1486.44    179.845  1689.51    252.037  1275.77    256.707  55.489  4.2254  48.031  5.0082  7.458191       6.552531  
1 1 1 4   84  3  o 77.194  2.9159  3238.85    243.797  3141.03    346.165  3335.12    343.413  75.750  4.2362  78.093  4.0742  -2.342827      5.877433  
1 1 1 4   84  4  o 93.958  2.9238  4799.00    297.544  4917.27    433.643  4693.78    409.018  94.914  4.2182  92.757  4.0712  2.157021       5.862449  
1 1 1 4   84  5  o 38.389  4.2680  814.468    174.457  831.888    245.175  796.602    248.292  38.418  6.0957  37.520  6.3354  0.8976898      8.791770  
1 1 1 4   84  6  o 61.974  3.3357  2097.16    223.085  2205.69    334.165  2009.90    299.631  63.267  4.9152  60.440  4.6119  2.826393       6.740068  
1 1 1 4   84  7  o 52.105  4.0042  1490.89    224.250  1307.40    334.204  1641.17    302.444  48.189  6.5747  54.438  5.1924  -6.248573      8.377796  
1 1 1 4   84  8  o 67.565  3.4234  2494.05    249.708  2552.01    358.606  2439.49    347.918  68.040  4.8989  66.524  4.8624  1.515808       6.902358  
1 1 1 4   84  9  o 115.213 3.1411  7229.15    391.967  7491.50    567.994  6990.61    541.597  116.945 4.4843  112.984 4.4258  3.960526       6.300496  
1 1 1 4   84  10 o 24.810  7.3965  349.843    213.731  534.549    415.910  283.562    249.145  31.041  10.452  23.385  8.0845  7.656698       13.21353  
1 1 1 4   84  11 f 82.898  2.8753  3741.68    258.167  3398.23    335.363  4241.29    404.480  78.819  3.9284  87.981  4.2446  -9.162415      5.783511  
1 1 1 4   84  12 o 126.739 3.2654  8763.12    448.248  8437.68    648.544  9060.78    620.240  123.822 4.8358  128.467 4.4576  -4.644722      6.576884  
1 1 1 4   84  13 o 71.961  3.6567  2840.78    284.073  2423.81    439.370  3140.29    372.371  65.631  6.2566  75.399  4.5814  -9.768082      7.754700  
1 1 1 4   84  14 o 67.577  2.5737  2487.89    188.375  2502.79    419.044  2484.12    210.884  66.723  5.8578  67.474  2.8856  -0.7516785     6.529964  
1 1 1 4   84  15 o 26.421  7.4227  412.943    221.197  609.814    364.188  297.865    278.439  31.668  9.7024  23.809  8.5202  7.859213       12.91238  
1 1 1 4   84  16 o 61.982  4.4922  2146.33    299.529  2052.17    532.346  2189.96    362.323  58.261  8.7030  62.178  5.4347  -3.916603      10.26051  
1 1 1 4   84  17 o 53.641  4.0004  1602.41    230.746  1212.23    503.497  1706.15    259.614  43.053  10.812  55.212  4.3772  -12.15834      11.66477  
1 1 1 4   84  18 o 33.837  6.3484  676.995    224.117  949.934    494.418  606.409    251.432  37.591  11.259  31.535  7.4752  6.055288       13.51493  
1 1 1 4   84  19 o 37.196  6.2186  816.651    241.688  0.0000     0.0000   816.651    241.688  ?       ?       37.196  6.2186  0.000000       6.218640  
1 1 1 4   84  20 o 32.007  9.2713  669.006    339.947  0.0000     0.0000   669.006    339.947  ?       ?       32.007  9.2713  0.000000       9.271290  
1 1 1 4   84  21 o 31.120  8.7901  632.162    309.333  0.0000     0.0000   632.162    309.333  ?       ?       31.120  8.7901  0.000000       8.790131  
1 1 1 4   84  22 o 22.890  8.7640  283.021    303.723  0.0000     0.0000   283.021    303.723  ?       ?       22.890  8.7640  0.000000       8.763982  
1 1 1 4   85  0  o 33.492  4.2485  621.824    150.651  641.615    217.066  603.432    209.255  33.633  6.1868  32.599  6.1521  1.033474       8.724952  
1 1 1 4   85  1  o 34.701  3.7800  663.841    139.772  617.638    199.983  707.965    195.431  33.063  5.7957  35.578  5.2275  -2.514168      7.804908  
1 1 1 4   85  2  o 83.038  2.9144  3748.40    262.118  3883.68    388.609  3635.48    355.042  84.234  4.2735  81.639  4.0153  2.595207       5.863863  
1 1 1 4   85  3  o 93.118  2.6402  4710.73    266.278  4903.43    359.122  4475.43    396.845  94.890  3.4942  90.569  4.0455  4.321404       5.345633  
1 1 1 4   85  4  o 44.474  3.7725  1085.94    180.009  1329.29    274.245  901.743    238.602  48.955  5.2543  40.130  5.6457  8.825684       7.712435  
1 1 1 4   85  5  o 40.293  4.4450  898.255    190.759  975.686    310.516  851.318    241.758  41.368  7.1912  38.893  5.9264  2.475475       9.318572  
1 1 1 4   85  6  o 36.368  2.1206  720.343    83.168   696.021    87.270   960.951    274.491  35.732  2.2667  41.251  6.3471  -5.519032      6.739726  
1 1 1 4   85  7  o 109.065 3.1585  6476.38    373.116  6382.03    538.430  6563.54    517.522  107.945 4.6053  109.532 4.3623  -1.587555      6.343389  
1 1 1 4   85  8  o 67.611  3.4309  2498.43    250.424  2663.22    360.941  2345.49    347.735  69.507  4.8243  65.174  4.9634  4.332993       6.921637  
1 1 1 4   85  9  o 74.184  3.4435  3001.79    276.686  2846.13    411.805  3129.89    373.570  71.688  5.3420  75.406  4.5959  -3.718071      7.046967  
1 1 1 4   85  10 o 79.433  3.3529  3441.51    288.459  3342.02    418.073  3531.91    398.516  77.788  4.9884  80.087  4.6137  -2.298721      6.794916  
1 1 1 4   85  11 o 88.928  3.3376  4314.85    321.471  4176.27    468.598  4438.04    441.838  86.951  4.9967  89.789  4.5582  -2.837967      6.763452  
1 1 1 4   85  12 o 14.384  6.4165  -72.1877   203.083  -186.5329  335.389  -5.9930    255.183  17.497  7.9820  17.364  7.4804  0.1329956      10.93931  
1 1 1 4   85  13 o 72.677  2.7330  2878.66    215.131  2898.95    270.659  2843.86    354.523  72.800  3.4326  71.686  4.5902  1.113670       5.731693  
1 1 1 4   85  14 o 71.080  2.7819  2757.72    214.171  2468.42    451.895  2841.53    243.223  65.872  6.4152  72.080  3.1154  -6.207809      7.131672  
1 1 1 4   85  15 o 74.766  3.5670  3074.37    288.856  2757.81    461.164  3278.75    370.551  69.515  6.1898  76.754  4.4768  -7.238518      7.639039  
1 1 1 4   85  16 o 55.136  4.5712  1704.67    270.518  1556.95    513.104  1761.54    318.358  49.748  9.8710  55.713  5.3413  -5.964420      11.22348  
1 1 1 4   85  17 o 38.525  5.1626  848.444    210.000  722.020    471.361  879.752    234.565  33.415  11.126  39.016  5.7207  -5.601063      12.51049  
1 1 1 4   85  18 o 14.756  6.3455  7.4386     182.981  211.379    468.770  -29.2208   198.747  24.787  10.385  14.661  6.4533  10.12651       12.22666  
1 1 1 4   85  19 o 25.032  9.1717  357.749    325.120  0.0000     0.0000   357.749    325.120  ?       ?       25.032  9.1717  0.000000       9.171698  
1 1 1 4   85  20 o 39.036  7.3728  935.383    300.297  0.0000     0.0000   935.383    300.297  ?       ?       39.036  7.3728  0.000000       7.372785  
1 1 1 4   85  21 o 21.895  8.2832  254.248    269.285  0.0000     0.0000   254.248    269.285  ?       ?       21.895  8.2832  0.000000       8.283235  
1 1 1 4   86  0  o 54.023  3.0270  1592.24    176.407  1315.55    251.322  1860.96    247.672  48.793  4.8185  58.277  3.9471  -9.484417      6.228796  
1 1 1 4   86  1  o 126.647 3.0968  8725.48    424.788  8399.20    609.923  9032.83    591.961  123.934 4.5437  128.602 4.2499  -4.667580      6.221486  
1 1 1 4   86  2  o 85.188  2.8949  3945.81    267.102  4211.61    388.313  3707.11    367.985  87.836  4.0817  82.297  4.1416  5.539368       5.814862  
1 1 1 4   86  3  o 29.660  5.0883  495.572    157.575  558.754    249.404  453.595    203.290  31.092  7.4940  28.080  6.7645  3.012480       10.09543  
1 1 1 4   86  4  o 23.209  6.1811  307.711    158.154  194.813    255.403  377.925    201.418  21.448  8.0779  25.686  7.0335  -4.237778      10.71086  
1 1 1 4   86  5  o 82.848  3.2094  3736.97    287.992  3802.77    422.276  3679.75    393.780  83.192  4.7057  81.892  4.4564  1.300156       6.480978  
1 1 1 4   86  6  f 115.172 3.1692  7222.29    395.335  7251.46    570.256  7195.29    548.553  115.068 4.5756  114.665 4.4169  0.4029465      6.359599  
1 1 1 4   86  7  o 29.585  1.7160  476.384    54.751   475.150    55.958   504.090    265.070  29.543  1.7567  29.484  8.0667  0.5825615E-01  8.255746  
1 1 1 4   86  8  o 64.375  3.5266  2267.73    244.959  2048.23    352.785  2472.08    340.395  60.736  5.4198  66.955  4.7242  -6.219036      7.189725  
1 1 1 4   86  9  o 55.276  2.3781  1660.56    142.374  1661.10    159.304  1658.42    317.361  55.260  2.6616  54.577  5.4412  0.6827965      6.057333  
1 1 1 4   86  10 o 30.642  6.5689  541.705    211.462  543.181    314.381  540.485    285.768  30.529  8.9368  30.405  8.3994  0.1249142      12.26445  
1 1 1 4   86  11 o 95.225  3.3132  4949.90    341.714  4804.36    495.981  5081.40    471.464  93.244  4.9285  96.152  4.5271  -2.907257      6.692181  
1 1 1 4   86  12 o 104.356 3.2368  5948.03    365.849  5648.50    549.817  6186.01    490.095  101.094 5.0214  106.093 4.2650  -4.998985      6.588225  
1 1 1 4   86  13 o 30.197  2.0401  498.021    66.333   709.282    387.147  491.631    67.328   34.126  9.8966  29.996  2.0853  4.129820       10.11394  
1 1 1 4   86  14 o 27.228  6.9473  439.211    205.553  325.159    362.985  493.050    249.395  25.576  9.6306  28.695  7.8137  -3.118690      12.40167  
1 1 1 4   86  15 o 40.200  5.6528  927.386    239.330  883.864    399.011  951.843    299.108  37.428  9.7467  40.102  7.1485  -2.674503      12.08710  
1 1 1 4   86  16 o 26.789  7.8420  433.468    242.073  540.895    451.362  390.091    286.811  30.096  10.840  25.815  8.6794  4.281269       13.88632  
1 1 1 4   86  17 o 6.5041  2.8233  -5.4764    36.907   -15.9725   37.479   330.274    211.974  6.1414  2.7468  23.630  7.4292  -17.48833      7.920711  
1 1 1 4   86  18 o 38.020  5.6276  839.564    224.743  793.644    474.546  852.842    255.175  34.361  11.150  37.949  6.4384  -3.587444      12.87557  
1 1 1 4   86  19 o 71.505  5.0929  2915.73    391.851  0.0000     0.0000   2915.73    391.851  ?       ?       71.505  5.0929  0.000000       5.092877  
1 1 1 4   86  20 o 106.899 4.9020  6493.52    567.569  0.0000     0.0000   6493.52    567.569  ?       ?       106.899 4.9020  0.000000       4.902012  
1 1 1 4   86  21 o 32.811  8.5669  696.877    307.729  0.0000     0.0000   696.877    307.729  ?       ?       32.811  8.5669  0.000000       8.566858  
1 1 1 4   87  0  o 68.450  2.9524  2548.39    218.888  2319.69    315.820  2759.79    303.647  64.968  4.5163  71.002  3.9643  -6.034584      6.009346  
1 1 1 4   87  1  o 58.053  3.1694  1839.66    198.528  1827.93    287.215  1850.38    274.724  57.608  4.6425  58.011  4.4053  -0.4027481     6.399960  
1 1 1 4   87  2  o 77.787  3.0314  3292.01    255.397  3149.14    374.389  3416.36    349.289  75.720  4.5866  78.988  4.0968  -3.267700      6.149887  
1 1 1 4   87  3  o 95.820  3.1007  4996.89    321.805  4917.02    472.286  5066.10    439.664  94.771  4.6011  96.280  4.2161  -1.509293      6.240637  
1 1 1 4   87  4  o 51.122  3.7784  1433.60    207.727  1536.39    332.532  1367.82    266.017  52.456  5.9586  49.686  5.0116  2.769936       7.785917  
1 1 1 4   87  5  o 77.819  3.2154  3298.19    271.013  3183.81    389.381  3405.67    377.439  76.061  4.7503  78.753  4.4431  -2.692070      6.504329  
1 1 1 4   87  6  o 58.858  3.7566  1898.79    238.235  1805.93    356.052  1974.06    320.567  56.905  5.8607  59.748  4.9996  -2.842327      7.703470  
1 1 1 4   87  7  o 19.499  7.0426  179.901    190.702  453.824    287.836  -34.4142   254.599  28.205  8.6229  16.957  7.3876  11.24813       11.35480  
1 1 1 4   87  8  o 61.377  3.6345  2063.83    240.534  1780.23    346.518  2327.54    334.153  56.486  5.7438  64.930  4.7852  -8.443661      7.475946  
1 1 1 4   87  9  o 26.506  7.0902  406.501    207.521  433.521    322.811  387.469    270.920  27.939  9.2028  26.311  8.4132  1.628340       12.46892  
1 1 1 4   87  10 o 19.668  7.2809  174.941    205.744  -164.0820  304.965  458.150    278.733  16.809  7.6461  28.157  8.4586  -11.34781      11.40227  
1 1 1 4   87  11 o 49.444  4.3545  1353.65    230.817  1459.43    356.870  1277.57    302.641  50.642  6.6683  47.553  6.0101  3.089123       8.977089  
1 1 1 4   87  12 o 44.244  5.1542  1099.34    242.367  937.974    376.050  1213.99    316.986  39.485  8.9940  46.053  6.5386  -6.567078      11.11964  
1 1 1 4   87  13 o 48.682  2.2872  1290.67    120.598  999.717    412.310  1317.90    126.113  40.304  9.5850  49.183  2.3674  -8.878910      9.873049  
1 1 1 4   87  14 o 42.355  2.1383  979.559    97.778   990.184    103.521  891.685    297.700  42.565  2.2535  38.742  7.3637  3.823082       7.700818  
1 1 1 4   87  15 o 18.101  7.0916  127.784    202.293  333.951    364.333  35.896     243.231  25.517  9.6393  17.405  7.3956  8.111673       12.14949  
1 1 1 4   87  16 f 18.747  7.3476  141.237    217.225  -86.9490   448.173  211.303    248.346  21.024  9.4439  21.034  7.9553  -0.1035690E-01 12.34807  
1 1 1 4   87  17 o 15.909  6.6546  48.001     192.050  -84.8705   443.502  78.667     213.062  20.814  9.3679  17.205  7.0862  3.608316       11.74613  
1 1 1 4   87  18 o 66.037  4.1450  2441.97    294.972  0.0000     0.0000   2441.97    294.972  ?       ?       66.037  4.1450  0.000000       4.145037  
1 1 1 4   87  19 o 113.805 4.7036  7312.84    579.781  0.0000     0.0000   7312.84    579.781  ?       ?       113.805 4.7036  0.000000       4.703605  
1 1 1 4   87  20 o 68.855  5.3674  2730.98    397.124  0.0000     0.0000   2730.98    397.124  ?       ?       68.855  5.3674  0.000000       5.367367  
1 1 1 4   88  0  o 48.429  3.5566  1285.28    185.253  965.498    273.803  1555.25    251.580  41.352  6.3134  53.143  4.4107  -11.79068      7.701525  
1 1 1 4   88  1  o 24.527  6.2245  345.072    165.632  148.374    249.977  499.009    221.142  20.271  7.8994  29.403  7.0377  -9.132154      10.57973  
1 1 1 4   88  2  o 44.125  3.8747  1070.83    183.301  1339.83    273.273  850.815    247.146  49.119  5.2165  38.817  6.0778  10.30170       8.009459  
1 1 1 4   88  3  o 88.300  3.1301  4245.08    299.356  4376.67    426.518  4117.33    420.258  89.424  4.4036  86.603  4.4958  2.821396       6.293200  
1 1 1 4   88  4  o 201.581 3.9863  22202.93   870.348  22250.37   1239.18  22156.73   1222.70  200.870 5.6957  200.488 5.6307  0.3822632      8.009113  
1 1 1 4   88  5  f 88.586  3.1535  4274.36    302.574  4115.74    449.821  4405.44    408.908  86.466  4.8224  89.733  4.2073  -3.267189      6.399725  
1 1 1 4   88  6  o 101.458 3.1732  5608.17    348.704  5353.02    506.138  5838.70    481.099  98.763  4.7316  103.264 4.3014  -4.501518      6.394539  
1 1 1 4   88  7  o 71.206  3.4138  2765.50    263.285  2619.73    385.501  2892.94    360.443  68.792  5.2126  72.474  4.6158  -3.682182      6.962563  
1 1 1 4   88  8  o 126.298 3.2352  8697.06    442.558  8525.21    630.968  8863.47    620.896  124.587 4.6759  127.097 4.5104  -2.509438      6.496729  
1 1 1 4   88  9  o 20.403  7.3006  203.609    204.424  428.573    320.962  50.067     265.162  27.743  9.1782  18.665  7.8146  9.077774       12.05439  
1 1 1 4   88  10 o 67.687  3.5509  2512.02    259.414  2511.84    387.733  2512.18    349.042  67.156  5.3757  67.344  4.8171  -0.1872482     7.218204  
1 1 1 4   88  11 o 23.352  7.4936  306.008    214.787  275.200    319.911  331.294    289.823  24.177  9.0533  24.932  8.7139  -0.7549534     12.56560  
1 1 1 4   88  12 o 66.517  2.8011  2415.44    201.806  2313.96    440.184  2442.45    227.076  63.726  6.4670  66.820  3.1376  -3.093510      7.187947  
1 1 1 4   88  13 o 47.016  4.5957  1238.15    231.032  1079.25    399.918  1317.73    283.041  41.961  9.0644  48.174  5.5245  -6.213196      10.61523  
1 1 1 4   88  14 o 52.722  4.2774  1550.81    242.145  1323.59    405.997  1676.25    301.672  46.834  8.3079  54.465  5.1761  -7.630611      9.788379  
1 1 1 4   88  15 o 28.131  7.4020  477.757    228.580  155.725    378.086  663.268    286.962  22.665  9.3966  32.915  8.1035  -10.25040      12.40817  
1 1 1 4   88  16 o 35.958  2.3086  708.722    89.437   681.469    93.507   1001.50    306.479  35.227  2.4663  40.964  7.1688  -5.737129      7.581171  
1 1 1 4   88  17 o 23.841  7.3141  340.587    206.883  123.090    461.517  395.282    231.438  23.469  10.085  25.500  7.7183  -2.030439      12.69935  
1 1 1 4   88  18 o 27.548  8.4238  474.659    274.681  0.0000     0.0000   474.659    274.681  ?       ?       27.548  8.4238  0.000000       8.423797  
1 1 1 4   88  19 o 17.269  7.6358  -23.5265   281.318  0.0000     0.0000   -23.5265   281.318  ?       ?       17.269  7.6358  0.000000       7.635754  
1 1 1 4   88  20 o 20.402  8.1611  176.433    273.158  0.0000     0.0000   176.433    273.158  ?       ?       20.402  8.1611  0.000000       8.161114  
1 1 1 4   89  0  o 29.672  5.9052  502.365    183.105  539.002    272.527  472.216    247.218  30.457  8.1151  28.577  7.7787  1.880116       11.24107  
1 1 1 4   89  1  o 45.294  3.8740  1128.34    188.221  1034.27    277.839  1208.12    255.883  42.838  6.1658  46.615  5.1544  -3.776947      8.036512  
1 1 1 4   89  2  o 70.088  3.2391  2676.11    245.891  2766.41    360.351  2597.43    336.371  70.874  4.7213  68.709  4.5457  2.165947       6.553885  
1 1 1 4   89  3  o 144.597 3.3595  11396.32   526.147  10978.18   755.088  11790.95   733.547  141.394 4.9306  146.659 4.6179  -5.264725      6.755429  
1 1 1 4   89  4  o 138.775 3.2831  10495.33   493.471  10770.25   704.390  10230.35   691.536  140.143 4.6406  136.572 4.6750  3.570404       6.587157  
1 1 1 4   89  5  o 86.733  3.2248  4099.23    302.943  3853.17    443.836  4313.87    414.518  83.608  4.9229  88.759  4.3118  -5.150955      6.544252  
1 1 1 4   89  6  o 52.825  4.0506  1535.15    229.992  1327.57    345.742  1699.91    308.029  48.401  6.7813  55.335  5.2005  -6.933594      8.545854  
1 1 1 4   89  7  o 92.640  3.1988  4678.82    320.969  4930.03    466.023  4452.12    442.710  94.775  4.5399  89.949  4.5590  4.826027       6.433899  
1 1 1 4   89  8  o 80.094  3.2859  3500.58    285.049  3412.15    410.552  3582.88    396.077  78.585  4.8471  80.627  4.5542  -2.041786      6.650949  
1 1 1 4   89  9  o 95.222  3.2613  4950.54    336.356  5353.79    496.655  4608.87    457.154  98.612  4.6500  91.389  4.6336  7.222847       6.564553  
1 1 1 4   89  10 o 62.836  3.9215  2174.90    265.559  2149.01    398.727  2195.53    356.008  61.757  6.0382  62.707  5.2911  -0.9500160     8.028466  
1 1 1 4   89  11 o 54.582  4.3512  1653.68    255.099  1728.15    386.429  1596.16    339.616  54.956  6.6258  53.037  6.0187  1.918736       8.951246  
1 1 1 4   89  12 o 67.574  3.8275  2522.22    278.985  2435.24    445.215  2578.45    357.988  65.278  6.3785  67.906  4.9002  -2.628380      8.043476  
1 1 1 4   89  13 o 87.101  3.4551  4171.06    325.955  4020.24    505.560  4278.35    426.418  84.349  5.5650  87.649  4.5071  -3.299110      7.161220  
1 1 1 4   89  14 o 69.193  3.7490  2649.01    279.910  2867.51    468.285  2527.55    349.149  70.750  6.1729  67.113  4.8356  3.636940       7.841389  
1 1 1 4   89  15 o 32.671  6.4278  630.754    219.352  875.689    388.069  515.758    265.905  37.116  9.5861  29.008  8.1344  8.107935       12.57229  
1 1 1 4   89  16 o 28.085  7.4850  481.254    231.813  381.703    469.435  513.357    266.583  27.325  10.772  28.833  8.1657  -1.508488      13.51755  
1 1 1 4   89  17 o 15.874  6.7731  26.158     205.552  0.0000     0.0000   26.158     205.552  ?       ?       15.874  6.7731  0.000000       6.773125  
1 1 1 4   89  18 o 42.377  6.6730  1072.21    296.156  0.0000     0.0000   1072.21    296.156  ?       ?       42.377  6.6730  0.000000       6.673045  
1 1 1 4   89  19 o 30.752  8.6851  607.635    302.004  0.0000     0.0000   607.635    302.004  ?       ?       30.752  8.6851  0.000000       8.685092  
1 1 1 4   90  0  o 108.589 3.0677  6420.42    360.801  6298.70    521.046  6532.54    500.099  107.225 4.4865  109.268 4.2256  -2.043152      6.163194  
1 1 1 4   90  1  o 47.230  4.6692  1234.73    235.723  1539.66    433.525  1106.74    280.872  51.839  7.9770  44.370  5.9983  7.468620       9.980596  
1 1 1 4   90  2  o 105.991 3.0581  6117.06    351.068  5893.36    500.384  6333.93    492.676  103.719 4.4542  107.587 4.2280  -3.868057      6.141323  
1 1 1 4   90  3  o 46.536  3.8729  1191.11    193.435  1307.11    295.465  1104.09    255.898  48.337  5.7568  44.455  5.4273  3.881790       7.911823  
1 1 1 4   90  4  o 135.100 3.3012  9949.59    483.052  9653.71    695.542  10225.28   671.376  132.576 4.8438  136.561 4.5391  -3.984924      6.638243  
1 1 1 4   90  5  o 135.892 3.2893  10069.02   484.140  10448.67   695.882  9712.87    673.997  137.961 4.6570  133.006 4.6786  4.954636       6.601314  
1 1 1 4   90  6  o 59.754  3.6453  1957.82    234.793  2039.59    363.067  1899.04    307.824  60.496  5.6047  58.555  4.8987  1.940968       7.443790  
1 1 1 4   90  7  o 86.461  3.2554  4078.95    304.855  3778.10    443.700  4347.97    419.571  82.655  4.9795  89.004  4.3524  -6.348686      6.613498  
1 1 1 4   90  8  o 118.110 3.2199  7615.18    411.906  7376.25    588.592  7844.49    576.639  115.724 4.6959  119.440 4.4574  -3.715714      6.474573  
1 1 1 4   90  9  f 46.202  4.5377  1187.29    224.143  874.762    361.093  1383.19    285.889  38.207  8.8925  49.643  5.4044  -11.43553      10.40598  
1 1 1 4   90  10 f 25.882  7.4570  392.399    220.443  79.648     339.302  620.839    289.983  21.002  8.8190  32.197  8.2715  -11.19466      12.09100  
1 1 1 4   90  11 o ?       ?       -358.8125  30.746   30.766     333.947  -362.1431  30.877   20.017  8.5893  ?       ?       0.000000       8.589293  
1 1 1 4   90  12 o 16.945  1.8867  158.093    34.040   157.435    34.270   206.489    293.927  16.907  1.9047  21.993  8.5671  -5.086075      8.776243  
1 1 1 4   90  13 o 14.133  6.4005  -96.9649   210.781  -375.5439  454.042  -20.4342   237.980  18.633  8.7657  16.303  7.1216  2.329704       11.29400  
1 1 1 4   90  14 o 34.093  6.6845  687.885    238.008  579.435    408.614  743.575    292.808  30.671  10.359  34.959  7.9169  -4.288773      13.03822  
1 1 1 4   90  15 o 37.591  6.1581  826.099    242.044  651.842    401.397  925.666    303.413  31.990  10.242  39.243  7.4100  -7.252815      12.64140  
1 1 1 4   90  16 o 29.641  7.8174  542.132    254.574  832.177    479.530  428.307    300.401  35.212  11.186  26.600  8.8829  8.612345       14.28406  
1 1 1 4   90  17 o 30.737  7.7381  586.159    257.437  0.0000     0.0000   586.159    257.437  ?       ?       30.737  7.7381  0.000000       7.738061  
1 1 1 4   90  18 o 37.634  7.2852  865.159    286.225  0.0000     0.0000   865.159    286.225  ?       ?       37.634  7.2852  0.000000       7.285188  
1 1 1 4   90  19 o 25.470  8.7581  394.788    292.197  0.0000     0.0000   394.788    292.197  ?       ?       25.470  8.7581  0.000000       8.758073  
1 1 1 4   91  0  o 106.358 3.1033  6161.45    357.486  6285.12    511.801  6043.64    499.544  107.106 4.4118  105.034 4.3911  2.071976       6.224626  
1 1 1 4   91  1  o 21.449  7.4884  232.994    214.011  -148.2691  379.481  410.807    259.155  19.347  8.6905  26.873  8.1749  -7.525517      11.93120  
1 1 1 4   91  2  o 45.323  4.0223  1132.08    195.400  919.091    303.161  1283.44    255.568  39.986  7.2677  48.070  4.9809  -8.084454      8.810736  
1 1 1 4   91  3  o 37.884  4.9358  801.826    197.715  483.923    306.269  1028.98    258.889  29.044  8.8973  42.792  5.7296  -13.74814      10.58255  
1 1 1 4   91  4  o 30.702  6.0909  540.146    195.393  507.257    310.809  561.639    251.252  29.623  8.9395  31.032  7.5478  -1.409376      11.69974  
1 1 1 4   91  5  o 33.359  5.6731  631.971    197.637  559.335    287.760  696.828    271.914  30.874  8.3875  34.593  7.4753  -3.719694      11.23522  
1 1 1 4   91  6  o 13.941  6.1088  -34.8634   176.330  150.191    295.736  -136.9390  219.642  21.333  8.5056  14.082  6.4380  7.250362       10.66739  
1 1 1 4   91  7  o 70.209  3.4861  2695.08    265.096  2866.93    391.270  2549.25    360.432  71.870  5.0587  67.790  4.9430  4.080635       7.072726  
1 1 1 4   91  8  o 128.903 3.2678  9082.80    456.235  9050.79    651.455  9113.61    639.149  128.042 4.6974  128.541 4.5908  -0.4984741     6.568236  
1 1 1 4   91  9  o 99.781  3.1805  5445.15    343.730  5767.60    506.518  5169.89    467.981  102.158 4.5778  96.767  4.4651  5.390869       6.394763  
1 1 1 4   91  10 o 37.680  5.8486  814.317    230.953  859.430    354.750  781.129    304.266  37.570  8.8615  36.108  7.9914  1.462326       11.93266  
1 1 1 4   91  11 o 64.704  3.8116  2314.55    265.941  2203.51    416.326  2391.09    345.653  62.058  6.2804  65.331  4.9209  -3.273418      7.978651  
1 1 1 4   91  12 o 23.233  7.7553  305.222    228.976  526.845    352.039  142.710    301.457  29.528  9.6048  20.920  8.5006  8.608044       12.82621  
1 1 1 4   91  13 o 49.911  4.8640  1403.81    259.604  1078.23    413.428  1615.76    333.566  41.541  9.4073  53.113  5.8980  -11.57246      11.10330  
1 1 1 4   91  14 o 39.548  5.4307  897.176    226.479  1025.80    400.160  836.558    274.711  40.385  9.3353  37.492  7.0231  2.892830       11.68207  
1 1 1 4   91  15 o 62.703  4.0559  2192.89    273.977  1775.96    466.241  2412.80    338.606  54.031  8.2268  65.403  4.8138  -11.37191      9.531681  
1 1 1 4   91  16 o 34.162  7.7307  718.724    279.368  0.0000     0.0000   718.724    279.368  ?       ?       34.162  7.7307  0.000000       7.730741  
1 1 1 4   91  17 o 18.140  7.5305  89.050     243.276  0.0000     0.0000   89.050     243.276  ?       ?       18.140  7.5305  0.000000       7.530457  
1 1 1 4   91  18 o 53.059  5.9015  1640.46    333.402  0.0000     0.0000   1640.46    333.402  ?       ?       53.059  5.9015  0.000000       5.901518  
1 1 1 4   92  0  o 34.887  5.0237  683.000    184.353  631.325    283.152  721.022    242.884  32.829  8.0296  35.469  6.5641  -2.639812      10.37124  
1 1 1 4   92  1  o 17.532  6.4271  139.639    159.684  136.677    240.437  141.976    213.593  19.680  7.7251  19.073  7.3383  0.6072083      10.65496  
1 1 1 4   92  2  o 87.897  3.0734  4210.59    292.590  4326.12    418.220  4099.83    409.486  88.814  4.3476  86.342  4.3932  2.472321       6.180818  
1 1 1 4   92  3  f 34.081  5.2571  655.066    187.817  901.049    279.223  451.809    253.817  39.673  6.7392  27.906  7.9903  11.76698       10.45287  
1 1 1 4   92  4  o 65.723  3.4987  2366.34    248.162  2446.33    362.186  2295.55    340.707  66.416  5.0732  64.370  4.9242  2.046593       7.070047  
1 1 1 4   92  5  o 20.515  7.3101  208.511    204.757  393.888    302.556  51.865     278.124  26.682  8.9147  19.052  7.9915  7.629896       11.97226  
1 1 1 4   92  6  o 87.850  3.2610  4215.96    310.289  4029.34    454.798  4378.46    424.406  85.270  4.9456  89.213  4.3922  -3.942421      6.614436  
1 1 1 4   92  7  o 39.813  5.1423  892.181    216.563  875.846    325.062  905.218    290.395  38.477  8.0583  39.493  7.0474  -1.016224      10.70526  
1 1 1 4   92  8  o ?       ?       -249.9184  30.880   -254.9685  31.089   122.313    266.907  ?       ?       19.888  8.0275  0.000000       8.027527  
1 1 1 4   92  9  o 20.069  7.2857  198.722    204.479  441.472    313.023  18.031     270.063  27.553  9.0616  18.047  7.7334  9.505718       11.91290  
1 1 1 4   92  10 o 28.335  7.2660  478.818    224.054  390.045    347.243  542.139    293.270  26.621  9.5161  29.914  8.5958  -3.292431      12.82357  
1 1 1 4   92  11 o 15.101  6.6971  -53.1371   217.962  -168.0884  341.564  25.828     283.095  17.601  8.0395  18.477  7.9178  -0.8760223     11.28384  
1 1 1 4   92  12 o 46.295  4.8303  1207.73    238.635  1290.75    377.749  1152.59    307.842  46.535  7.7685  44.491  6.5873  2.043938       10.18543  
1 1 1 4   92  13 o 81.010  3.6492  3620.29    320.189  3452.85    493.972  3741.62    420.483  77.779  5.9078  81.702  4.7724  -3.922485      7.594613  
1 1 1 4   92  14 o 49.749  4.7985  1398.44    255.352  921.823    419.039  1679.97    322.056  37.755  10.064  54.194  5.5657  -16.43933      11.50072  
1 1 1 4   92  15 o 24.074  2.0791  318.377    53.679   646.733    397.039  312.264    54.176   31.688  10.190  23.833  2.1209  7.854956       10.40883  
1 1 1 4   92  16 o 31.233  10.561  634.736    424.658  0.0000     0.0000   634.736    424.658  ?       ?       31.233  10.561  0.000000       10.56080  
1 1 1 4   92  17 o 29.716  8.5267  558.985    288.762  0.0000     0.0000   558.985    288.762  ?       ?       29.716  8.5267  0.000000       8.526747  
1 1 1 4   93  0  o 105.613 3.1729  6084.31    362.953  5908.74    527.145  6242.56    500.479  103.636 4.6962  106.647 4.3328  -3.011276      6.389647  
1 1 1 4   93  1  f 84.721  3.2124  3916.24    294.774  3813.74    419.281  4016.42    414.506  83.135  4.6754  85.380  4.4982  -2.245323      6.487932  
1 1 1 4   93  2  o 139.497 3.3133  10624.21   500.599  10468.90   717.302  10771.68   698.964  137.861 4.8039  139.932 4.6118  -2.071823      6.659241  
1 1 1 4   93  3  o 82.646  3.1591  3727.40    282.786  3475.22    425.077  3927.61    378.757  79.207  4.9802  84.607  4.1332  -5.400177      6.471913  
1 1 1 4   93  4  o 35.800  5.6376  727.820    211.369  781.598    327.484  689.421    276.728  36.271  8.4867  34.252  7.6521  2.018745       11.42712  
1 1 1 4   93  5  o 54.443  4.0175  1636.08    235.226  1424.97    354.662  1801.88    314.301  49.931  6.7294  56.812  5.1642  -6.880527      8.482558  
1 1 1 4   93  6  o 46.865  4.5110  1222.40    226.148  1042.55    342.732  1361.08    300.965  42.131  7.7979  49.073  5.7727  -6.942242      9.702151  
1 1 1 4   93  7  o 23.255  7.2115  309.679    200.509  255.965    299.480  353.318    269.941  23.297  8.7524  25.114  8.4203  -1.817392      12.14527  
1 1 1 4   93  8  o 18.140  7.0211  131.283    196.446  324.087    291.430  -29.2786   265.948  24.586  8.7254  17.166  7.5126  7.420391       11.51399  
1 1 1 4   93  9  o 27.668  7.0506  454.788    211.902  625.644    323.202  325.972    280.635  31.989  8.9673  24.435  8.5727  7.553909       12.40582  
1 1 1 4   93  10 o 51.328  4.4683  1471.48    245.934  1303.96    364.867  1610.96    332.928  47.076  7.4001  53.154  5.8814  -6.078094      9.452613  
1 1 1 4   93  11 o 51.101  4.6803  1464.81    256.167  1447.08    393.764  1477.82    337.305  49.458  7.5934  50.649  6.2836  -1.191631      9.856161  
1 1 1 4   93  12 o 43.896  5.1042  1093.36    238.146  1077.94    379.202  1103.40    306.022  41.930  8.6373  43.405  6.7272  -1.474850      10.94800  
1 1 1 4   93  13 o 31.498  2.2416  543.883    75.974   822.886    416.806  534.294    77.269   35.709  10.244  31.207  2.3023  4.502180       10.49916  
1 1 1 4   93  14 o 81.260  3.0060  3626.80    264.566  3737.98    499.514  3583.45    311.908  80.838  5.7425  80.539  3.5756  0.2986374      6.764675  
1 1 1 4   93  15 o 68.487  3.0490  2579.81    226.171  3581.51    765.242  2483.93    236.748  75.386  9.5891  67.130  3.2561  8.256325       10.12685  
1 1 1 4   93  16 o 64.163  6.9307  2440.09    474.003  0.0000     0.0000   2440.09    474.003  ?       ?       64.163  6.9307  0.000000       6.930701  
1 1 1 4   93  17 o 22.666  8.1424  287.008    254.524  0.0000     0.0000   287.008    254.524  ?       ?       22.666  8.1424  0.000000       8.142407  
1 1 1 4   94  0  o 74.550  3.2900  3036.53    265.650  2855.69    382.081  3205.74    369.602  71.740  4.9475  76.182  4.4993  -4.442635      6.687407  
1 1 1 4   94  1  o 45.504  3.9367  1143.89    192.115  1249.42    285.499  1056.56    259.711  47.083  5.7157  43.256  5.6808  3.827366       8.058525  
1 1 1 4   94  2  o 42.964  4.1592  1023.33    191.124  821.825    290.607  1176.92    253.713  37.508  7.4162  45.821  5.2046  -8.312958      9.060229  
1 1 1 4   94  3  o 81.469  3.1599  3625.91    278.823  3594.97    403.203  3654.27    385.991  80.591  4.6388  81.344  4.3974  -0.7526093     6.391837  
1 1 1 4   94  4  o 107.704 3.1693  6340.17    369.712  6345.82    530.902  6334.86    515.156  107.222 4.5715  107.188 4.4373  0.3407288E-01  6.370916  
1 1 1 4   94  5  o 24.940  6.6386  363.701    182.493  489.161    283.762  275.209    238.315  28.731  8.5128  22.746  7.9044  5.985653       11.61668  
1 1 1 4   94  6  o 50.799  4.2802  1433.79    233.306  1401.09    353.715  1458.97    310.401  49.287  6.8078  50.743  5.7492  -1.455944      8.910638  
1 1 1 4   94  7  o 91.765  3.2518  4613.81    323.202  4543.83    467.717  4677.76    447.130  90.336  4.7975  91.917  4.4912  -1.581169      6.571677  
1 1 1 4   94  8  o 44.652  4.6839  1118.16    223.154  1196.78    328.744  1050.98    303.894  45.347  6.9119  42.474  6.8379  2.872513       9.722703  
1 1 1 4   94  9  o 18.793  7.2018  150.228    205.208  -49.6372   314.887  297.771    270.549  18.306  8.0873  23.613  8.4041  -5.306133      11.66328  
1 1 1 4   94  10 o 38.585  5.4088  850.073    219.830  947.505    347.841  785.279    283.658  39.502  8.3892  36.266  7.4702  3.235920       11.23307  
1 1 1 4   94  11 o 32.513  6.9317  628.950    236.647  822.896    369.334  493.869    308.231  36.259  9.3455  28.542  8.9561  7.716982       12.94407  
1 1 1 4   94  12 o 83.569  3.0074  3830.52    272.207  3682.60    479.741  3900.75    330.573  80.570  5.5309  84.089  3.6296  -3.518730      6.615529  
1 1 1 4   94  13 o 34.998  6.4387  723.239    235.075  675.806    412.809  746.001    285.971  32.463  10.386  34.972  7.7532  -2.509167      12.96054  
1 1 1 4   94  14 f 32.947  6.8168  651.217    235.234  210.489    401.371  881.802    290.320  23.687  9.7373  38.245  7.2744  -14.55857      12.15448  
1 1 1 4   94  15 o 15.014  6.7597  -78.0510   231.137  -656.6116  680.756  -2.6635    245.735  21.133  10.161  16.652  7.2563  4.481377       12.48567  
1 1 1 4   94  16 o 27.153  9.5562  447.521    348.869  0.0000     0.0000   447.521    348.869  ?       ?       27.153  9.5562  0.000000       9.556156  
1 1 1 4   95  0  o 16.649  6.6520  85.985     181.248  145.040    266.001  34.804     247.631  20.355  8.0822  17.734  7.4949  2.620647       11.02251  
1 1 1 4   95  1  o 20.098  6.9105  212.392    181.917  281.795    274.996  158.386    242.582  23.510  8.4616  20.049  7.7904  3.460594       11.50173  
1 1 1 4   95  2  o 53.804  3.8630  1597.97    223.618  1560.59    339.376  1626.66    297.276  52.443  6.0881  53.895  5.1555  -1.452251      7.977713  
1 1 1 4   95  3  o 77.589  3.2817  3294.97    275.780  3223.06    409.614  3354.60    372.979  76.057  5.0003  77.827  4.4431  -1.770149      6.689086  
1 1 1 4   95  4  f 27.993  6.4970  459.371    193.190  332.052    317.327  534.351    243.520  25.179  9.0861  29.982  7.5139  -4.803020      11.79046  
1 1 1 4   95  5  o 62.763  3.7356  2172.64    252.791  2118.64    379.311  2215.79    339.065  61.208  5.7904  62.934  5.0159  -1.726051      7.660776  
1 1 1 4   95  6  o 24.075  1.8390  316.895    47.591   321.342    48.341   176.868    271.258  24.242  1.8551  20.999  8.2162  3.243155       8.423004  
1 1 1 4   95  7  o 98.872  3.2378  5357.39    346.730  5273.02    501.740  5434.51    479.701  97.427  4.7547  99.052  4.4713  -1.624718      6.526904  
1 1 1 4   95  8  o 82.390  3.3415  3724.60    298.188  3703.74    431.621  3743.64    412.436  81.407  4.9183  81.973  4.6646  -0.5657120     6.778483  
1 1 1 4   95  9  o 5.2251  2.3724  -17.4965   29.186   -16.6868   29.363   -83.9047   265.918  5.2769  2.3894  16.304  7.3026  -11.02719      7.683575  
1 1 1 4   95  10 o 62.039  3.8518  2132.39    257.540  1853.12    396.705  2335.84    338.593  56.594  6.5955  64.511  4.8821  -7.916489      8.205838  
1 1 1 4   95  11 o 70.508  3.8567  2755.35    293.409  2445.52    445.725  2992.27    389.768  65.118  6.4025  72.948  4.9626  -7.830139      8.100603  
1 1 1 4   95  12 o 16.526  7.0975  15.668     228.386  360.521    352.355  -234.1800  299.918  25.740  9.5283  15.495  7.2359  10.24471       11.96438  
1 1 1 4   95  13 o 51.824  4.8376  1519.51    268.394  1796.83    435.903  1350.19    340.616  54.829  7.5398  47.874  6.7567  6.954308       10.12435  
1 1 1 4   95  14 o 14.913  6.9166  -181.2624  266.749  -498.3857  659.380  -119.2075  291.682  21.747  10.329  16.452  7.4816  5.295139       12.75410  
1 1 1 4   95  15 o 24.456  9.3659  310.996    346.926  797.706    697.557  151.043    399.890  34.396  13.254  22.689  9.5530  11.70768       16.33767  
1 1 1 4   96  0  o 55.321  3.7712  1689.21    224.616  1456.51    345.961  1858.79    295.326  50.415  6.4861  57.728  4.7659  -7.312798      8.048829  
1 1 1 4   96  1  o 104.727 3.0742  5998.09    348.702  5525.90    501.162  6441.21    485.488  99.903  4.6316  108.095 4.1467  -8.191956      6.216640  
1 1 1 4   96  2  o 79.094  3.1401  3423.12    269.007  3544.29    398.498  3321.67    364.623  79.878  4.6259  77.427  4.3657  2.450897       6.360657  
1 1 1 4   96  3  o 20.001  6.6852  217.549    170.145  223.760    268.282  213.370    220.063  21.967  8.2780  20.776  7.5558  1.191326       11.20783  
1 1 1 4   96  4  o 75.325  2.7809  3098.73    226.878  3020.28    283.486  3238.50    378.395  74.175  3.5286  76.321  4.5990  -2.146111      5.796734  
1 1 1 4   96  5  o 20.149  7.2496  203.898    201.847  460.313    312.952  21.248     264.128  27.988  9.0521  17.915  7.6617  10.07305       11.85931  
1 1 1 4   96  6  o 29.812  6.7409  524.452    212.559  482.948    327.074  554.797    279.669  28.562  9.2558  30.317  8.2823  -1.755047      12.42040  
1 1 1 4   96  7  o 50.861  4.1221  1437.79    225.125  1546.21    348.772  1360.35    294.751  51.888  6.3376  48.910  5.6691  2.977875       8.503136  
1 1 1 4   96  8  o 59.109  2.4658  1906.34    157.866  1926.62    178.661  1834.13    337.151  59.363  2.7787  56.889  5.5422  2.474636       6.199754  
1 1 1 4   96  9  o 75.444  2.7876  3113.25    227.781  2768.81    422.877  3254.03    270.353  69.889  5.6343  76.996  3.2418  -7.106918      6.500371  
1 1 1 4   96  10 o 48.611  4.7448  1330.23    246.636  1405.01    369.789  1270.31    331.015  48.825  7.2096  46.615  6.7529  2.209610       9.878220  
1 1 1 4   96  11 o 39.080  5.6437  880.171    231.964  867.088    383.145  887.741    291.446  36.989  9.5105  38.544  7.2473  -1.554516      11.95715  
1 1 1 4   96  12 o 108.562 3.4167  6496.76    401.750  6415.24    589.564  6567.43    548.930  106.732 5.0999  108.320 4.6788  -1.587967      6.921057  
1 1 1 4   96  13 o 53.129  4.7921  1596.89    272.787  1867.43    443.237  1431.94    346.096  55.856  7.5174  49.338  6.6457  6.518234       10.03378  
1 1 1 4   96  14 o 82.458  5.6410  3892.34    500.776  4300.22    816.016  3645.93    634.253  83.123  9.2190  78.123  7.5916  5.000443       11.94246  
1 1 1 4   96  15 o 27.128  9.2589  448.284    326.442  1001.70    706.957  298.306    368.026  37.244  13.543  24.519  9.5766  12.72475       16.58691  
1 1 1 4   97  0  o 40.304  4.9311  914.956    210.768  1264.55    314.388  629.564    284.056  46.949  6.3452  32.363  8.1178  14.58573       10.30342  
1 1 1 4   97  1  o 17.373  6.6422  124.918    174.307  45.302     250.103  200.114    243.062  17.922  7.5510  20.918  7.8799  -2.995102      10.91377  
1 1 1 4   97  2  o 80.754  3.2627  3572.40    285.374  3688.51    424.849  3476.95    385.215  81.365  4.8428  79.136  4.5130  2.229477       6.619612  
1 1 1 4   97  3  o 47.266  4.3700  1245.16    221.185  882.216    333.385  1530.53    295.617  38.306  8.2770  52.112  5.3117  -13.80560      9.834803  
1 1 1 4   97  4  o 76.678  3.4068  3225.51    282.931  3303.88    418.092  3159.30    384.291  76.864  5.0502  75.300  4.7360  1.563774       6.923446  
1 1 1 4   97  5  o 85.261  2.8690  3974.02    264.940  3563.07    340.894  4600.89    421.031  80.408  3.9143  91.225  4.2612  -10.81680      5.786112  
1 1 1 4   97  6  o 43.423  4.7377  1059.62    219.205  1033.45    318.617  1083.14    302.051  41.888  7.2875  43.172  6.6749  -1.284397      9.882410  
1 1 1 4   97  7  o 8.3094  3.0746  29.553     36.681   20.356     37.099   430.909    245.083  7.7981  3.0420  26.858  7.8988  -19.05985      8.464283  
1 1 1 4   97  8  o 42.283  5.0053  1011.71    224.782  723.648    332.458  1254.28    305.082  34.232  8.8881  46.649  6.1911  -12.41662      10.83186  
1 1 1 4   97  9  o 43.171  5.1375  1058.30    235.505  1195.85    356.155  951.425    313.934  44.783  7.6153  39.877  7.5449  4.905910       10.72000  
1 1 1 4   97  10 o 51.734  4.5224  1501.88    250.860  1525.51    377.052  1483.11    336.022  50.945  7.0198  50.621  6.2623  0.3239746      9.407113  
1 1 1 4   97  11 o 36.649  6.3991  790.161    244.766  1209.19    386.204  508.861    316.431  44.468  8.3245  28.740  9.0822  15.72867       12.32007  
1 1 1 4   97  12 o 15.148  6.6690  -30.5100   212.352  78.096     359.052  -88.9342   263.346  20.941  8.9438  15.999  7.2082  4.942215       11.48693  
1 1 1 4   97  13 o 69.688  4.5744  2729.75    343.359  1745.37    863.189  2914.78    374.241  47.288  15.007  71.867  4.8360  -24.57961      15.76648  
1 1 1 4   97  14 o 32.717  9.2947  685.298    344.833  1049.22    698.019  567.808    396.610  38.082  13.505  29.984  10.206  8.098497       16.92741  
1 1 1 4   98  0  o 16.354  6.4390  94.412     167.520  88.476     252.100  99.105     224.171  18.764  7.7158  18.184  7.3509  0.5801468      10.65690  
1 1 1 4   98  1  o 73.360  3.3271  2950.39    264.363  2978.02    387.733  2926.39    361.386  73.020  4.9314  72.514  4.6254  0.5059586      6.761159  
1 1 1 4   98  2  f 90.623  3.1439  4497.08    308.584  4688.78    446.743  4322.15    426.751  92.013  4.4827  88.238  4.4800  3.774345       6.337553  
1 1 1 4   98  3  o 47.595  4.2137  1260.81    214.974  1328.42    312.764  1200.27    295.969  48.166  6.1345  45.755  6.1261  2.411350       8.669527  
1 1 1 4   98  4  o 12.536  5.8354  -160.7825  192.594  -448.9943  298.794  44.073     251.907  13.625  6.5951  17.908  7.5633  -4.282707      10.03488  
1 1 1 4   98  5  o 24.032  7.3398  337.267    208.611  271.155    323.675  384.243    272.837  23.849  9.0671  25.755  8.4594  -1.906420      12.40057  
1 1 1 4   98  6  o 59.799  3.7965  1978.48    244.620  1924.86    382.185  2015.70    318.380  57.986  6.1805  59.924  4.9498  -1.937767      7.918287  
1 1 1 4   98  7  o 47.147  4.5648  1246.46    230.184  1159.14    339.364  1320.87    313.259  44.296  7.3299  47.890  6.1837  -3.594757      9.589871  
1 1 1 4   98  8  o 82.399  3.3874  3733.90    302.318  3390.33    438.727  4044.53    417.170  77.532  5.2555  85.132  4.5407  -7.600121      6.945356  
1 1 1 4   98  9  f 38.113  5.8024  839.618    231.962  747.679    352.171  910.069    308.281  34.511  9.2385  38.911  7.5875  -4.399891      11.95490  
1 1 1 4   98  10 o 16.930  7.0877  54.754     218.118  18.004     335.057  81.781     287.342  19.600  8.5072  19.366  8.1230  0.2339268      11.76246  
1 1 1 4   98  11 o 32.642  7.0485  641.253    241.904  653.739    383.105  632.974    311.959  31.992  9.9761  31.782  8.7743  0.2106228      13.28568  
1 1 1 4   98  12 f 17.324  7.2830  56.169     231.848  -86.6593   363.304  154.302    301.141  18.897  8.4944  20.880  8.4915  -1.983517      12.01085  
1 1 1 4   98  13 o 54.555  7.6260  1787.29    438.294  1685.33    838.906  1825.57    514.028  46.681  14.792  54.080  9.0987  -7.399269      17.36616  
1 1 1 4   99  0  o 30.634  6.4471  550.560    207.143  457.681    294.789  641.150    291.133  27.777  8.7648  32.538  8.2495  -4.761143      12.03644  
1 1 1 4   99  1  o 19.684  6.6799  208.896    169.904  92.536     257.132  299.073    226.361  18.945  7.7915  23.098  7.7109  -4.152925      10.96198  
1 1 1 4   99  2  o 23.259  6.8293  315.883    183.343  9.8060     305.455  488.257    229.228  18.895  8.1620  28.595  7.3585  -9.699825      10.98928  
1 1 1 4   99  3  o 25.003  6.8381  369.197    190.518  460.488    307.418  312.271    242.757  27.876  8.9671  23.625  7.9848  4.250887       12.00693  
1 1 1 4   99  4  o 15.622  6.4620  50.501     178.232  87.640     279.025  24.903     231.650  19.418  8.0633  16.911  7.2023  2.507082       10.81156  
1 1 1 4   99  5  o 96.441  3.2188  5102.18    336.219  4819.31    499.672  5336.23    454.502  92.780  4.9907  98.150  4.2754  -5.370590      6.571591  
1 1 1 4   99  6  o 70.705  3.5103  2750.74    268.823  2597.56    412.141  2864.18    354.650  67.643  5.6779  71.610  4.5968  -3.967117      7.305439  
1 1 1 4   99  7  o 43.434  4.8962  1066.40    226.318  967.582    335.132  1149.24    306.857  40.010  8.0130  44.401  6.5800  -4.390999      10.36842  
1 1 1 4   99  8  o 78.494  3.4476  3392.05    293.105  3718.60    428.167  3104.07    402.088  81.392  4.8794  74.257  5.0290  7.134842       7.007121  
1 1 1 4   99  9  o 58.422  2.6510  1867.27    167.746  1874.58    191.186  1842.81    349.637  58.370  3.0346  56.728  5.7708  1.641552       6.520068  
1 1 1 4   99  10 o 13.920  2.2581  108.403    32.879   113.416    33.104   -256.2533  282.333  14.254  2.2163  14.677  6.9067  -0.4228811     7.253629  
1 1 1 4   99  11 o 25.278  7.7518  384.278    232.415  19.703     358.255  649.220    305.404  20.134  8.7679  32.239  8.5910  -12.10464      12.27525  
1 1 1 4   99  12 o 33.654  7.9044  696.924    283.219  -619.2524  623.612  1038.94    317.894  20.444  9.8017  41.599  7.3230  -21.15454      12.23515  
1 1 1 4   100 0  o 54.610  3.6783  1648.43    216.302  1360.93    318.687  1894.01    294.532  48.687  6.1828  58.189  4.7138  -9.501625      7.774768  
1 1 1 4   100 1  o 68.509  3.5576  2587.34    263.071  2524.75    375.799  2647.49    368.388  66.999  5.2198  68.729  4.9826  -1.729515      7.216176  
1 1 1 4   100 2  o 89.793  3.1679  4420.14    308.093  4671.01    446.393  4191.93    425.757  91.745  4.4923  86.779  4.5456  4.965874       6.390860  
1 1 1 4   100 3  f 67.710  3.5058  2527.40    256.221  2556.93    366.705  2499.22    358.147  67.472  5.0546  66.732  4.9913  0.7399750      7.103651  
1 1 1 4   100 4  o 60.832  3.8513  2049.83    252.441  2259.43    378.511  1881.91    338.794  63.119  5.5946  57.613  5.4960  5.506859       7.842553  
1 1 1 4   100 5  o 26.420  1.8114  381.395    51.522   377.380    52.429   494.415    278.179  26.274  1.8542  28.550  8.4206  -2.275528      8.622304  
1 1 1 4   100 6  o 22.733  7.2716  298.250    202.371  165.592    296.741  413.596    276.701  21.174  8.4932  26.402  8.5089  -5.228395      12.02230  
1 1 1 4   100 7  o 41.059  5.1773  960.101    225.120  950.806    334.315  967.813    304.505  39.565  8.0748  40.337  7.2356  -0.7725945     10.84232  
1 1 1 4   100 8  o 53.731  4.2575  1613.44    245.737  1408.02    363.296  1786.69    333.644  48.868  7.0692  55.958  5.5793  -7.089531      9.005679  
1 1 1 4   100 9  o 41.679  5.4537  996.912    240.290  907.161    362.409  1067.32    320.990  38.056  8.9437  42.284  7.2710  -4.228138      11.52635  
1 1 1 4   100 10 o 27.813  7.4762  470.171    230.066  262.940    354.286  621.281    302.534  23.884  9.3767  31.576  8.6092  -7.691938      12.72953  
1 1 1 4   100 11 o 57.216  4.3836  1835.25    269.589  1639.35    409.928  1984.55    357.866  52.444  7.4242  58.848  5.6854  -6.403961      9.351108  
1 1 1 4   101 0  o 63.911  3.3926  2250.28    234.000  2236.97    342.539  2261.93    320.419  63.075  5.0565  63.592  4.6850  -0.5173378     6.893319  
1 1 1 4   101 1  o 26.262  6.3486  407.242    178.585  430.342    269.299  389.109    238.594  26.876  8.3614  25.638  7.8529  1.237970       11.47082  
1 1 1 4   101 2  o 24.001  7.3329  337.813    208.196  474.754    311.798  227.631    279.681  28.143  9.0285  22.115  8.4236  6.027956       12.34785  
1 1 1 4   101 3  o 90.110  3.3005  4459.78    322.127  4308.40    471.660  4592.12    440.996  87.655  4.9886  90.903  4.4790  -3.248024      6.704341  
1 1 1 4   101 4  o 80.682  3.3239  3576.98    290.468  3519.41    417.151  3631.16    404.698  79.234  4.8847  80.611  4.6550  -1.377083      6.747535  
1 1 1 4   101 5  o 55.302  4.1658  1704.18    247.693  1291.62    374.092  2026.24    330.523  46.531  7.6915  59.903  5.1442  -13.37222      9.253223  
1 1 1 4   101 6  o 24.519  7.4406  356.383    214.882  256.062    332.781  428.123    281.413  23.532  9.1299  26.755  8.5767  -3.223148      12.52654  
1 1 1 4   101 7  o 36.146  5.8446  758.141    221.004  1077.83    330.050  498.286    297.563  42.465  7.4474  28.524  8.7752  13.94101       11.50949  
1 1 1 4   101 8  o 22.696  7.4797  296.288    213.236  419.555    320.816  198.732    285.404  26.694  9.1771  21.481  8.4212  5.213388       12.45536  
1 1 1 4   101 9  o 15.039  6.6858  -52.7316   218.529  101.504    334.791  -167.2277  288.454  20.822  8.7526  15.864  7.2984  4.958042       11.39623  
1 1 1 4   101 10 o 15.775  6.9205  -24.5656   226.863  384.172    364.998  -281.8719  289.596  26.299  9.7052  14.664  6.9295  11.63504       11.92508  
1 1 1 4   102 0  o 58.898  3.6550  1918.52    232.008  1927.86    352.608  1911.38    308.095  58.210  5.6645  58.299  4.9253  -0.8902740E-01 7.506346  
1 1 1 4   102 1  o 60.988  3.5856  2055.22    235.812  1943.81    336.954  2162.16    330.126  58.588  5.3697  62.010  4.9567  -3.421139      7.307716  
1 1 1 4   102 2  o 60.167  3.6760  2002.77    238.407  1991.06    374.082  2010.78    309.376  59.011  5.9332  59.842  4.8140  -0.8302193     7.640461  
1 1 1 4   102 3  o 77.980  3.3034  3341.51    279.002  3190.67    410.330  3471.21    380.494  75.317  5.0594  78.889  4.4715  -3.571526      6.752166  
1 1 1 4   102 4  o 92.446  3.3678  4700.23    337.216  4490.20    484.347  4897.81    469.779  89.397  5.0226  93.734  4.6273  -4.336884      6.829187  
1 1 1 4   102 5  o 14.904  6.4818  -12.4178   195.261  -142.2382  285.938  101.018    267.286  16.119  7.3598  19.234  7.9310  -3.115097      10.81975  
1 1 1 4   102 6  o 54.244  4.2754  1644.52    249.150  1554.25    378.642  1713.46    330.871  51.439  6.9762  54.753  5.6610  -3.314175      8.984106  
1 1 1 4   102 7  o 80.115  3.4488  3535.46    299.262  3433.52    435.355  3626.78    412.047  77.977  5.1843  80.410  4.7522  -2.433067      7.032795  
1 1 1 4   102 8  o 80.413  3.5293  3565.72    307.390  3596.59    458.784  3540.58    414.076  79.686  5.3466  79.374  4.8396  0.3114700      7.211681  
1 1 1 4   102 9  o 56.666  4.3297  1796.50    263.724  1654.79    394.465  1911.03    354.630  53.012  7.0446  57.771  5.7437  -4.759293      9.089370  
1 1 1 4   103 0  o 40.502  4.5549  923.766    196.346  593.395    290.582  1201.33    266.348  31.085  8.4217  45.894  5.4657  -14.80939      10.03987  
1 1 1 4   103 1  o 21.525  6.9967  263.621    186.822  122.762    302.271  350.689    237.647  20.513  8.4434  24.491  7.8848  -3.977880      11.55256  
1 1 1 4   103 2  o 46.824  4.5925  1232.42    229.914  1423.52    324.155  1038.96    326.149  49.671  6.1573  41.714  7.4942  7.956360       9.699239  
1 1 1 4   103 3  o 105.020 3.2809  6062.57    373.192  6095.18    544.676  6033.72    512.352  104.414 4.8163  104.064 4.5457  0.3494797      6.622633  
1 1 1 4   103 4  o 58.177  3.7490  1876.31    234.971  1941.72    351.918  1823.70    315.634  58.356  5.6380  56.756  5.1920  1.599598       7.664511  
1 1 1 4   103 5  o 32.716  1.9078  584.563    67.310   581.561    69.166   638.272    292.551  32.623  1.9667  32.204  8.3260  0.4191513      8.555100  
1 1 1 4   103 6  o 16.320  6.9082  34.003     210.927  267.268    331.033  -125.4309  273.676  23.686  9.1292  15.925  7.2437  7.760850       11.65391  
1 1 1 4   103 7  o 42.324  5.1712  1020.44    232.125  856.660    344.856  1156.12    313.876  37.147  8.7206  44.371  6.7434  -7.224174      11.02366  
1 1 1 4   104 0  o 22.494  7.1598  292.312    196.378  173.917    267.409  430.909    289.325  20.682  8.1377  26.883  8.7047  -6.201380      11.91613  
1 1 1 4   104 1  o 83.455  3.1958  3824.45    288.872  3663.08    423.018  3965.46    395.430  80.819  4.8551  84.387  4.3411  -3.567734      6.512799  
1 1 1 4   104 2  o 54.024  4.0093  1623.70    232.927  1845.94    364.892  1470.86    302.601  56.713  6.0330  50.769  5.5960  5.943928       8.228797  
1 1 1 4   104 3  o 27.311  7.0152  447.041    208.606  579.084    307.792  334.855    283.706  30.621  8.8081  24.497  8.6180  6.124731       12.32283  
1 1 1 4   104 4  o 16.580  6.9968  39.492     215.302  94.410     318.632  -6.6509    292.066  20.404  8.5559  18.139  7.9074  2.264900       11.65031  
1 1 1 4   104 5  o 52.602  4.1794  1544.10    236.150  1573.67    371.692  1524.09    305.801  51.909  6.7724  51.686  5.5494  0.2228775      8.755690  
1 1 1 4   105 0  o 24.563  6.8443  358.506    188.874  443.565    299.688  302.460    243.268  27.247  8.8619  23.249  7.9914  3.997252       11.93296  
1 1 1 4   105 1  o 23.366  7.1202  320.571    196.477  473.802    291.795  193.473    265.750  27.971  8.7038  21.055  8.1615  6.916103       11.93178  
1 1 1 4   105 2  o 38.675  5.2090  853.349    212.651  799.789    311.406  900.148    291.089  36.209  8.1384  38.920  7.1694  -2.711227      10.84594  
1 1 1 5   0   0  o 260.981 6.6364  36974.26   1873.17  36974.26   1873.17  36974.26   1873.17  260.981 6.6364  260.981 6.6364  0.000000       0.000000  
1 1 1 5   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   0   2  o 205.205 5.5159  22861.96   1223.94  22861.96   1223.94  22861.96   1223.94  205.205 5.5159  205.205 5.5159  0.000000       0.000000  
1 1 1 5   0   3  o 310.132 7.6785  52226.07   2575.69  52226.07   2575.69  52226.07   2575.69  310.132 7.6785  310.132 7.6785  0.000000       0.000000  
1 1 1 5   0   4  o 328.521 8.0616  58616.88   2864.60  58616.88   2864.60  58616.88   2864.60  328.521 8.0616  328.521 8.0616  0.000000       0.000000  
1 1 1 5   0   5  o 430.099 10.301  100542.50  4792.53  100542.50  4792.53  100542.50  4792.53  430.099 10.301  430.099 10.301  0.000000       0.000000  
1 1 1 5   0   6  o 67.863  3.3375  2512.55    243.965  2512.55    243.965  2512.55    243.965  67.863  3.3375  67.863  3.3375  0.000000       0.000000  
1 1 1 5   0   7  o 313.388 7.7506  53323.53   2627.15  53323.53   2627.15  53323.53   2627.15  313.388 7.7506  313.388 7.7506  0.000000       0.000000  
1 1 1 5   0   8  o 22.851  4.4014  312.323    97.269   312.323    97.269   312.323    97.269   22.851  4.4014  22.851  4.4014  0.000000       0.000000  
1 1 1 5   0   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   0   10 o 317.105 7.7980  54581.60   2674.63  54581.60   2674.63  54581.60   2674.63  317.105 7.7980  317.105 7.7980  0.000000       0.000000  
1 1 1 5   0   11 o 139.428 4.3239  10559.89   651.550  10559.89   651.550  10559.89   651.550  139.428 4.3239  139.428 4.3239  0.000000       0.000000  
1 1 1 5   0   12 o 44.941  2.1702  1101.45    105.074  1101.45    105.074  1101.45    105.074  44.941  2.1702  44.941  2.1702  0.000000       0.000000  
1 1 1 5   0   13 o 202.735 5.4338  22314.36   1191.23  22314.36   1191.23  22314.36   1191.23  202.735 5.4338  202.735 5.4338  0.000000       0.000000  
1 1 1 5   0   14 o 178.254 7.2597  17306.80   1396.33  17306.80   1396.33  17306.80   1396.33  178.254 7.2597  178.254 7.2597  0.000000       0.000000  
1 1 1 5   0   15 o 97.681  4.0727  5195.85    429.180  5195.85    429.180  5195.85    429.180  97.681  4.0727  97.681  4.0727  0.000000       0.000000  
1 1 1 5   0   16 o 152.745 4.6841  12677.59   773.291  12677.59   773.291  12677.59   773.291  152.745 4.6841  152.745 4.6841  0.000000       0.000000  
1 1 1 5   0   17 o 344.739 9.8817  64710.05   3682.85  64710.05   3682.85  64710.05   3682.85  344.739 9.8817  344.739 9.8817  0.000000       0.000000  
1 1 1 5   0   18 o 122.191 4.2171  8119.72    556.606  8119.72    556.606  8119.72    556.606  122.191 4.2171  122.191 4.2171  0.000000       0.000000  
1 1 1 5   0   19 o 17.954  8.7472  257.482    200.179  257.482    200.179  257.482    200.179  17.954  8.7472  17.954  8.7472  0.000000       0.000000  
1 1 1 5   0   20 o 208.670 5.6770  23668.76   1280.92  23668.76   1280.92  23668.76   1280.92  208.670 5.6770  208.670 5.6770  0.000000       0.000000  
1 1 1 5   0   21 o 67.027  3.0883  2449.67    223.115  2449.67    223.115  2449.67    223.115  67.027  3.0883  67.027  3.0883  0.000000       0.000000  
1 1 1 5   0   22 o 95.614  4.2273  4985.49    435.832  4985.49    435.832  4985.49    435.832  95.614  4.2273  95.614  4.2273  0.000000       0.000000  
1 1 1 5   0   23 o 287.254 7.2795  44966.44   2261.55  44966.44   2261.55  44966.44   2261.55  287.254 7.2795  287.254 7.2795  0.000000       0.000000  
1 1 1 5   0   24 o 12.682  7.8817  57.644     217.725  57.644     217.725  57.644     217.725  12.682  7.8817  12.682  7.8817  0.000000       0.000000  
1 1 1 5   0   25 o 16.722  8.9769  219.094    223.893  219.094    223.893  219.094    223.893  16.722  8.9769  16.722  8.9769  0.000000       0.000000  
1 1 1 5   0   26 o 37.620  1.9849  773.493    80.362   773.493    80.362   773.493    80.362   37.620  1.9849  37.620  1.9849  0.000000       0.000000  
1 1 1 5   0   27 o 48.109  2.3330  1264.22    120.913  1264.22    120.913  1264.22    120.913  48.109  2.3330  48.109  2.3330  0.000000       0.000000  
1 1 1 5   0   28 o 133.324 4.8579  9750.06    699.382  9750.06    699.382  9750.06    699.382  133.324 4.8579  133.324 4.8579  0.000000       0.000000  
1 1 1 5   0   29 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   0   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   0   31 o 20.537  11.236  361.170    357.128  361.170    357.128  361.170    357.128  20.537  11.236  20.537  11.236  0.000000       0.000000  
1 1 1 5   0   32 o 38.275  10.681  1018.92    383.111  1018.92    383.111  1018.92    383.111  38.275  10.681  38.275  10.681  0.000000       0.000000  
1 1 1 5   0   33 o 36.319  2.2518  727.300    87.799   727.300    87.799   727.300    87.799   36.319  2.2518  36.319  2.2518  0.000000       0.000000  
1 1 1 5   0   34 o 18.311  10.696  312.349    353.128  312.349    353.128  312.349    353.128  18.311  10.696  18.311  10.696  0.000000       0.000000  
1 1 1 5   0   35 o 17.235  10.266  278.464    336.634  278.464    336.634  278.464    336.634  17.235  10.266  17.235  10.266  0.000000       0.000000  
1 1 1 5   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   1   0  o 415.511 9.9380  93695.20   4472.54  92379.68   6324.84  95010.96   6325.40  412.138 14.169  417.991 13.972  -5.852844      19.89896  
1 1 1 5   1   1  o 275.808 4.8887  41217.70   1460.38  40215.81   2065.24  42219.69   2065.34  272.359 7.0010  279.070 6.8330  -6.710297      9.782791  
1 1 1 5   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   1   3  o 93.498  2.5715  4735.07    260.414  4701.79    368.041  4768.44    368.523  93.160  3.6475  93.818  3.6267  -0.6581497     5.143625  
1 1 1 5   1   4  o 375.682 6.4244  76539.33   2614.10  76910.30   3696.90  76168.34   3696.90  376.332 9.0698  374.507 9.1140  1.824738       12.85789  
1 1 1 5   1   5  o 497.481 9.5960  134471.91  5170.57  127949.10  8955.44  137733.50  6332.71  483.530 17.100  503.090 11.622  -19.56052      20.67543  
1 1 1 5   1   6  o 186.131 3.6322  18769.84   732.244  18656.19   1035.54  18883.50   1035.56  185.527 5.1533  186.654 5.1223  -1.127762      7.266031  
1 1 1 5   1   7  o 450.588 7.5781  110106.30  3698.36  108585.50  5230.26  111627.20  5230.28  447.141 10.800  453.378 10.651  -6.237091      15.16831  
1 1 1 5   1   8  o 370.820 6.9016  74532.43   2771.93  70815.96   3636.00  79689.74   4283.22  361.328 9.2908  383.228 10.319  -21.89984      13.88536  
1 1 1 5   1   9  f 185.043 4.0491  18548.01   811.527  18785.66   1020.87  18140.01   1337.63  186.211 5.0617  182.954 6.7503  3.256775       8.437253  
1 1 1 5   1   10 o 343.459 5.9119  63919.83   2199.22  64996.97   3110.28  62842.84   3110.05  346.246 8.2936  340.453 8.4341  5.792480       11.82873  
1 1 1 5   1   11 o 373.970 6.7732  75799.41   2743.46  79364.41   3599.60  70858.46   4237.70  382.564 8.6872  361.349 10.828  21.21466       13.88182  
1 1 1 5   1   12 o 253.794 5.1889  34900.86   1426.35  35538.70   2017.27  34263.17   2017.06  256.037 7.2743  251.395 7.4078  4.641617       10.38228  
1 1 1 5   1   13 o 584.680 10.576  185622.70  6697.56  181942.50  10403.90 188227.09  8752.32  577.729 16.627  588.232 13.737  -10.50323      21.56753  
1 1 1 5   1   14 o 341.007 11.838  63246.27   4372.29  63246.27   4372.29  0.0000     0.0000   341.007 11.838  ?       ?       0.000000       11.83793  
1 1 1 5   1   15 o 175.666 4.1093  16722.53   781.860  15618.81   1355.76  17272.50   957.034  169.645 7.3786  178.504 4.9500  -8.859528      8.885180  
1 1 1 5   1   16 o 240.498 4.5878  31356.18   1195.04  33531.44   1585.14  28491.81   1818.97  248.615 5.8867  229.061 7.3317  19.55333       9.402486  
1 1 1 5   1   17 o 94.342  2.8531  4822.40    291.533  4964.21    414.347  4683.37    410.263  95.696  3.9976  92.948  4.0752  2.748016       5.708637  
1 1 1 5   1   18 o 31.664  1.5953  544.456    54.537   416.292    300.338  548.826    55.459   27.903  8.8515  31.790  1.6160  -3.887486      8.997794  
1 1 1 5   1   19 o 43.702  3.6255  1042.55    170.059  1094.02    241.931  992.285    239.094  44.609  5.0988  42.425  5.3202  2.183899       7.369031  
1 1 1 5   1   20 o 19.565  6.2514  203.154    149.602  390.736    214.089  24.148     209.138  26.392  7.2615  16.594  6.9431  9.798147       10.04672  
1 1 1 5   1   21 o 204.285 4.1398  22642.18   915.990  23005.97   1223.98  22179.07   1381.00  205.775 5.4918  201.938 6.3140  3.837448       8.368149  
1 1 1 5   1   22 o 62.295  2.4123  2103.18    162.766  1819.65    310.185  2210.91    191.206  57.656  5.0171  63.863  2.7643  -6.207066      5.728230  
1 1 1 5   1   23 o 153.465 3.3736  12778.32   560.762  13468.82   794.182  12091.79   791.898  157.424 4.6578  149.131 4.9027  8.292923       6.762475  
1 1 1 5   1   24 o 70.108  3.0976  2667.62    235.218  2721.64    334.018  2614.48    331.297  70.603  4.3897  69.186  4.4446  1.416695       6.246885  
1 1 1 5   1   25 o 118.146 3.0202  7581.70    386.477  7826.48    550.039  7343.02    543.147  119.867 4.2367  116.092 4.3196  3.774529       6.050476  
1 1 1 5   1   26 o 81.272  2.9677  3591.57    261.233  3797.76    373.141  3393.37    365.846  83.414  4.1301  78.706  4.3079  4.707390       5.967940  
1 1 1 5   1   27 o 41.722  1.7400  944.387    78.629   1200.24    112.088  696.492    110.330  47.010  2.2014  35.660  2.8812  11.35019       3.625925  
1 1 1 5   1   28 o 44.062  5.1291  1085.83    240.198  1265.09    349.367  925.132    330.776  46.985  7.0854  39.762  7.9584  7.223598       10.65546  
1 1 1 5   1   29 o 57.146  6.4604  1857.07    392.847  1940.79    545.363  1766.77    566.371  57.164  9.1145  53.991  10.055  3.173187       13.57137  
1 1 1 5   1   30 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   1   31 o 52.396  7.1101  1618.46    393.080  1509.62    571.558  1716.13    541.460  47.828  11.226  52.075  9.9629  -4.247051      15.00940  
1 1 1 5   1   32 o 75.730  3.0850  3159.65    253.047  2949.46    303.092  3643.25    459.730  72.724  3.8617  79.817  5.3488  -7.092987      6.597178  
1 1 1 5   1   33 o 61.598  2.7806  2097.46    185.514  2406.24    406.948  2016.45    208.432  63.471  5.9904  60.115  3.2128  3.356445       6.797613  
1 1 1 5   1   34 o 3.8874  1.9630  -129.5483  39.441   398.476    328.040  -137.2933  39.729   24.253  9.1502  3.8236  1.9354  20.42904       9.352629  
1 1 1 5   1   35 o 30.505  7.5349  641.225    247.492  805.921    346.455  469.599    353.669  32.307  9.3600  24.888  9.4742  7.418550       13.31807  
1 1 1 5   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   2   1  o 314.070 6.2815  53465.88   2136.77  50958.45   2616.77  58483.24   3701.61  306.540 7.8815  328.224 10.412  -21.68408      13.05894  
1 1 1 5   2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   2   3  o 414.331 8.0647  93139.42   3619.15  94518.73   6268.96  92449.91   4432.39  416.635 13.892  412.600 9.9183  4.035095       17.06941  
1 1 1 5   2   4  o 430.462 7.2382  100526.10  3374.69  100274.90  4772.55  100777.30  4772.52  429.541 10.258  430.619 10.233  -1.078369      14.48924  
1 1 1 5   2   5  o 364.644 6.2295  72107.95   2460.30  71676.45   3479.49  72539.41   3479.30  363.294 8.8427  365.481 8.7893  -2.186615      12.46783  
1 1 1 5   2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   2   7  o 384.428 6.5152  80116.02   2712.76  80314.18   3836.47  79917.85   3836.37  384.705 9.2073  383.753 9.2299  0.9523010      13.03712  
1 1 1 5   2   8  o 185.391 3.6201  18617.46   726.903  17894.34   1027.82  19341.08   1028.17  181.731 5.2218  188.938 5.0243  -7.207138      7.246410  
1 1 1 5   2   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   2   10 f 486.743 9.3959  128487.90  4953.47  134843.09  8580.15  125310.90  6066.56  497.970 15.908  480.502 11.657  17.46768       19.72185  
1 1 1 5   2   11 o 93.042  2.6163  4688.66    263.657  4780.48    373.270  4597.22    372.466  93.943  3.6685  92.124  3.7329  1.818657       5.233758  
1 1 1 5   2   12 o 250.570 5.6282  34022.89   1527.46  34498.80   2413.77  33705.02   1972.67  252.200 8.8365  249.343 7.3045  2.857086       11.46469  
1 1 1 5   2   13 o 502.549 8.3509  136999.59  4545.50  142931.00  6429.02  131070.90  6427.60  512.921 11.572  491.109 12.084  21.81192       16.73132  
1 1 1 5   2   14 o 205.190 5.5786  22822.85   1239.80  22822.85   1239.80  0.0000     0.0000   205.190 5.5786  ?       ?       0.000000       5.578604  
1 1 1 5   2   15 o 251.106 5.6670  34190.26   1541.28  35068.29   2439.74  33607.11   1988.28  254.078 8.8656  248.846 7.3770  5.231674       11.53333  
1 1 1 5   2   16 o 310.537 5.4429  52301.95   1830.70  54338.38   2589.54  50267.25   2588.45  316.305 7.5587  304.190 7.8564  12.11496       10.90217  
1 1 1 5   2   17 o 122.597 3.0911  8144.34    410.457  8232.73    580.091  8055.72    580.859  123.226 4.3464  121.892 4.3997  1.333687       6.184519  
1 1 1 5   2   18 o 422.771 7.1621  97155.71   3279.57  93657.56   4637.83  100654.40  4638.21  414.257 10.337  429.568 9.9689  -15.31100      14.36048  
1 1 1 5   2   19 o 303.561 5.7128  50039.20   1878.29  50789.29   2886.65  49488.42   2473.55  305.277 8.7303  301.577 7.5727  3.699646       11.55703  
1 1 1 5   2   20 o 167.609 3.5026  15231.31   635.862  14939.47   900.141  15521.99   898.350  165.896 5.0096  169.108 4.9047  -3.211670      7.010864  
1 1 1 5   2   21 o 370.085 6.3413  74495.39   2541.84  76498.62   3596.11  72495.31   3593.29  374.253 8.8715  364.246 9.1081  10.00739       12.71461  
1 1 1 5   2   22 o 157.622 3.4000  13474.87   580.457  13830.86   822.235  13121.19   819.551  159.577 4.7572  155.419 4.8686  4.158676       6.806943  
1 1 1 5   2   23 o 228.661 4.2896  28401.57   1062.38  28633.48   1503.30  28170.19   1501.58  229.249 6.0544  227.377 6.0972  1.871918       8.592505  
1 1 1 5   2   24 o 49.308  2.2702  1318.22    121.243  1247.73    134.967  1612.93    275.962  47.892  2.6118  54.231  4.7460  -6.339504      5.417166  
1 1 1 5   2   25 o 144.739 3.3707  11387.19   528.412  11803.87   727.015  10920.56   769.357  147.138 4.5619  141.424 5.0227  5.713425       6.785160  
1 1 1 5   2   26 o 99.011  2.9624  5330.46    317.684  5443.77    452.283  5220.12    446.324  99.857  4.1818  97.778  4.2144  2.078903       5.937059  
1 1 1 5   2   27 o 74.463  2.6701  3015.50    215.349  2941.20    267.377  3152.70    363.329  73.450  3.3610  75.729  4.4492  -2.279541      5.575944  
1 1 1 5   2   28 o 50.892  5.9200  1457.54    320.219  1344.43    484.707  1545.15    426.560  47.406  9.7651  51.714  7.8633  -4.307922      12.53750  
1 1 1 5   2   29 f 41.740  1.5809  945.688    71.471   651.080    100.854  1242.91    101.300  34.450  2.7252  47.822  1.9557  -13.37267      3.354313  
1 1 1 5   2   30 o 28.116  7.8894  473.894    250.042  590.489    354.441  358.382    352.792  31.093  9.5792  26.038  9.5520  5.055216       13.52780  
1 1 1 5   2   31 o 34.423  9.4704  750.995    364.163  479.668    529.981  993.683    501.230  29.628  11.514  38.664  11.275  -9.036894      16.11497  
1 1 1 5   2   32 o 37.196  2.2445  758.799    89.999   753.444    92.684   847.205    376.598  37.047  2.3215  36.021  9.5120  1.026558       9.791189  
1 1 1 5   2   33 o 4.3996  2.1543  -66.6440   34.529   162.784    320.612  -69.3364   34.731   20.563  8.5997  4.3660  2.1425  16.19722       8.862528  
1 1 1 5   2   34 o 20.521  7.8708  246.028    245.239  -45.5181   329.068  610.233    367.795  17.379  7.9198  28.482  9.8241  -11.10300      12.61889  
1 1 1 5   2   35 o 27.153  8.6895  548.947    288.959  323.275    455.901  700.481    373.582  22.919  9.9357  29.361  9.9055  -6.442013      14.02983  
1 1 1 5   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   3   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   3   1  o 334.249 5.7645  60549.15   2086.91  59799.56   2951.30  61298.77   2951.37  332.046 8.2063  336.189 8.1053  -4.142792      11.53426  
1 1 1 5   3   2  o 394.570 9.5284  84501.97   4072.07  82437.98   5759.36  86565.14   5758.21  389.259 13.660  398.929 13.327  -9.669342      19.08423  
1 1 1 5   3   3  o 119.981 2.7890  7797.62    362.437  7681.25    512.393  7914.14    512.733  119.069 3.9732  120.861 3.9168  -1.792343      5.579207  
1 1 1 5   3   4  o 284.721 5.0275  43939.16   1550.39  44431.44   2192.68  43446.97   2192.48  286.191 7.0737  282.997 7.1529  3.193756       10.05991  
1 1 1 5   3   5  o 309.274 5.3973  51853.51   1807.97  51536.95   2556.92  52170.05   2556.80  308.165 7.6606  310.056 7.6135  -1.891022      10.80048  
1 1 1 5   3   6  o 572.797 19.192  179748.70  11906.57 0.0000     0.0000   179748.70  11906.57 ?       ?       572.797 19.192  0.000000       19.19180  
1 1 1 5   3   7  o 362.511 6.2063  71233.59   2436.82  71118.64   3446.31  71348.52   3446.06  362.050 8.7885  362.636 8.7737  -0.5857849     12.41836  
1 1 1 5   3   8  o 325.627 5.6277  57455.30   1984.83  58772.77   2807.04  56137.96   2806.92  329.249 7.8714  321.776 8.0539  7.473267       11.26164  
1 1 1 5   3   9  o 602.337 9.9697  196788.50  6504.17  197551.80  9198.30  196025.30  9198.26  603.035 14.083  600.693 14.138  2.341736       19.95518  
1 1 1 5   3   10 o 612.351 10.138  203407.59  6723.67  204771.70  9508.76  202043.59  9508.66  613.893 14.301  609.777 14.397  4.116821       20.29268  
1 1 1 5   3   11 o 148.176 3.1588  11892.44   506.960  11086.61   716.899  12698.51   717.001  143.053 4.6269  153.103 4.3238  -10.05025      6.332730  
1 1 1 5   3   12 o 227.977 4.4979  28157.70   1110.64  28936.52   1473.87  27134.36   1689.47  231.075 5.8889  223.732 6.9719  7.342377       9.126169  
1 1 1 5   3   13 o 71.070  3.0779  2736.01    236.926  2633.14    398.706  2792.17    294.579  69.501  5.3373  71.691  3.8074  -2.189285      6.556110  
1 1 1 5   3   14 o 399.193 9.5845  86544.77   4144.02  86544.77   4144.02  0.0000     0.0000   399.193 9.5845  ?       ?       0.000000       9.584484  
1 1 1 5   3   15 o 402.699 7.8651  88036.30   3430.46  82044.09   5941.30  91033.06   4201.60  387.697 14.149  409.270 9.4784  -21.57291      17.03018  
1 1 1 5   3   16 o 396.031 6.7364  85133.04   2889.53  82014.62   4086.28  88251.87   4086.55  388.227 9.7179  402.787 9.3672  -14.56015      13.49749  
1 1 1 5   3   17 o 88.973  2.6630  4288.90    256.628  4035.55    388.392  4485.21    341.892  86.278  4.1562  90.973  3.4698  -4.694412      5.414228  
1 1 1 5   3   18 o 117.916 2.9919  7534.75    382.105  7356.84    541.217  7711.55    539.544  116.475 4.2901  119.255 4.1772  -2.779030      5.987794  
1 1 1 5   3   19 o 51.401  3.3961  1438.43    188.006  1619.80    268.835  1264.82    263.022  54.449  4.6016  48.002  5.1388  6.446556       6.897957  
1 1 1 5   3   20 o 220.347 4.6778  26348.01   1116.40  26427.12   1578.89  26268.91   1578.76  220.452 6.6125  219.788 6.6320  0.6635132      9.365285  
1 1 1 5   3   21 o 162.631 3.4571  14342.01   608.958  15299.67   862.802  13391.44   859.599  167.877 4.7451  157.034 5.0540  10.84340       6.932461  
1 1 1 5   3   22 o 138.378 3.2260  10383.85   483.501  10391.64   684.859  10376.11   682.694  138.336 4.5708  138.234 4.5598  0.1025085      6.456305  
1 1 1 5   3   23 o 177.377 4.2046  17088.48   807.775  17785.75   1077.21  16192.66   1220.98  180.772 5.5017  172.308 6.5424  8.463699       8.548192  
1 1 1 5   3   24 o 146.294 3.3930  11620.75   537.622  11168.15   784.885  12020.79   737.910  143.187 5.0610  148.630 4.5838  -5.443039      6.828217  
1 1 1 5   3   25 o 58.917  2.4053  1883.44    153.490  2080.72    301.615  1814.49    178.305  61.611  4.5521  57.807  2.8478  3.804359       5.369479  
1 1 1 5   3   26 o 112.086 3.0936  6833.91    375.563  6784.67    530.271  6883.47    531.985  111.431 4.3936  112.243 4.3759  -0.8124008     6.201000  
1 1 1 5   3   27 o 44.861  2.3899  1096.65    115.706  978.375    126.435  1706.20    287.023  42.318  2.7738  55.547  4.8185  -13.22945      5.559825  
1 1 1 5   3   28 o 44.215  5.7342  1101.78    268.142  672.588    469.968  1308.93    326.501  33.893  11.101  48.026  6.4389  -14.13340      12.83334  
1 1 1 5   3   29 o 23.675  2.2399  307.632    56.753   294.390    57.664   716.932    320.585  23.142  2.3324  34.573  8.5974  -11.43153      8.908163  
1 1 1 5   3   30 o 14.603  6.7281  -162.8804  246.354  -135.7667  336.132  -194.3470  362.110  17.842  8.0812  17.937  8.2245  -0.9498405E-01 11.53029  
1 1 1 5   3   31 o 4.6880  2.2600  -52.9385   34.230   -219.1534  487.558  -52.1152   34.315   20.618  9.4868  4.7169  2.2712  15.90109       9.754875  
1 1 1 5   3   32 o 30.835  9.5192  615.840    349.807  658.695    486.959  570.148    502.826  31.597  11.272  30.146  11.338  1.451338       15.98762  
1 1 1 5   3   33 o 57.177  2.6393  1803.76    163.450  1848.70    376.953  1793.35    181.389  55.185  6.4270  56.807  2.9583  -1.621723      7.075129  
1 1 1 5   3   34 o 19.636  7.5079  218.867    222.718  418.896    278.922  -133.0578  369.965  24.691  8.5530  17.348  8.0795  7.343229       11.76574  
1 1 1 5   3   35 o 62.831  5.1300  2382.00    346.065  2897.06    549.990  2044.42    445.256  64.915  7.9912  54.896  7.7005  10.01896       11.09758  
1 1 1 5   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   4   0  o 271.023 4.8789  39799.88   1432.17  40254.15   2025.43  39345.63   2025.37  272.495 6.8626  269.400 6.9412  3.095825       9.760934  
1 1 1 5   4   1  o 134.201 2.9451  9755.29    428.079  9527.01    605.360  9983.63    605.431  132.608 4.2148  135.750 4.1177  -3.141953      5.892353  
1 1 1 5   4   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   4   3  o 195.350 3.7288  20674.96   788.954  20832.74   1115.76  20517.19   1115.74  196.055 5.2544  194.563 5.2946  1.491684       7.459321  
1 1 1 5   4   4  o 544.998 18.302  162699.50  10803.25 162699.50  10803.25 0.0000     0.0000   544.998 18.302  ?       ?       0.000000       18.30159  
1 1 1 5   4   5  o 100.590 2.6258  5480.92    286.084  5385.83    404.532  5576.06    404.636  99.701  3.7461  101.447 3.6826  -1.746323      5.253110  
1 1 1 5   4   6  o 555.294 18.617  168789.41  11197.03 168789.41  11197.03 0.0000     0.0000   555.294 18.617  ?       ?       0.000000       18.61701  
1 1 1 5   4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   4   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   4   9  o 266.917 5.5028  38601.09   1590.86  39432.00   1948.61  36940.37   2754.84  269.744 6.6696  260.979 9.7459  8.764984       11.80956  
1 1 1 5   4   10 o 733.812 17.112  293008.81  13600.71 293008.81  13600.71 0.0000     0.0000   733.812 17.112  ?       ?       0.000000       17.11223  
1 1 1 5   4   11 o 158.820 3.2880  13662.69   565.600  13805.40   800.069  13520.11   799.690  159.633 4.6274  157.974 4.6738  1.658630       6.576977  
1 1 1 5   4   12 o 264.263 4.7114  37836.00   1348.51  36380.87   1906.92  39291.60   1907.23  259.069 6.7959  269.243 6.5402  -10.17352      9.431775  
1 1 1 5   4   13 o 389.418 7.5927  82238.76   3202.45  76687.97   5545.17  85016.61   3922.76  375.466 13.636  395.816 9.1502  -20.34976      16.42116  
1 1 1 5   4   14 o 272.513 6.9109  40277.34   2039.83  40277.34   2039.83  0.0000     0.0000   272.513 6.9109  ?       ?       0.000000       6.910946  
1 1 1 5   4   15 o 203.773 4.9171  22508.81   1085.25  22820.00   2320.17  22421.66   1227.85  204.561 10.507  203.351 5.5748  1.210205       11.89472  
1 1 1 5   4   16 o 373.273 6.3931  75613.64   2584.68  72206.52   3655.08  79021.53   3655.49  364.349 9.2621  381.228 8.8530  -16.87836      12.81256  
1 1 1 5   4   17 o 95.220  2.7213  4912.39    280.653  4754.05    381.674  5098.79    414.113  93.653  3.7627  96.985  3.9422  -3.332085      5.449690  
1 1 1 5   4   18 o 271.786 4.8615  40072.27   1431.08  40399.66   2024.05  39745.00   2023.65  272.662 6.8537  270.436 6.9088  2.225708       9.731630  
1 1 1 5   4   19 o 477.247 7.9867  124002.60  4128.37  120894.90  5838.15  127110.70  5838.65  469.910 11.471  481.968 11.185  -12.05759      16.02107  
1 1 1 5   4   20 o 280.055 5.2874  42586.33   1603.84  42791.09   2116.70  42310.30   2457.62  280.457 6.9683  278.645 8.1432  1.811859       10.71763  
1 1 1 5   4   21 o 189.830 3.9480  19548.08   811.731  19943.92   1089.73  19054.67   1216.65  191.617 5.2507  187.211 6.0002  4.406143       7.973166  
1 1 1 5   4   22 o 179.662 3.8553  17514.20   750.215  18105.99   1120.30  17033.05   1010.16  182.469 5.6686  177.030 5.2683  5.438980       7.738742  
1 1 1 5   4   23 o 246.137 5.1614  32954.59   1376.00  32361.46   1945.08  33548.80   1946.84  243.352 7.3796  247.814 7.2533  -4.461853      10.34737  
1 1 1 5   4   24 o 96.278  2.9823  5030.19    310.988  5448.63    442.530  4621.89    437.128  100.114 4.0811  92.180  4.3783  7.934143       5.985377  
1 1 1 5   4   25 o 129.838 3.1436  9159.11    442.080  9784.11    616.811  8498.93    633.932  134.015 4.2494  124.823 4.6890  9.191620       6.328031  
1 1 1 5   4   26 o 91.282  2.8631  4529.73    283.072  3918.28    428.415  5003.53    377.121  84.499  4.6996  95.826  3.6335  -11.32712      5.940428  
1 1 1 5   4   27 o 53.029  1.9032  1526.17    109.310  1657.28    155.159  1396.97    154.023  55.209  2.5948  50.592  2.8221  4.617065       3.833660  
1 1 1 5   4   28 o 107.371 4.5389  6341.46    527.852  5754.31    763.864  6878.10    730.261  100.978 7.0280  110.980 6.0986  -10.00188      9.305182  
1 1 1 5   4   29 o 17.731  7.2461  78.361     220.647  -299.3419  319.218  423.915    305.330  15.704  7.3756  27.255  8.9488  -11.55139      11.59658  
1 1 1 5   4   30 o 27.914  8.0728  466.940    257.921  361.082    338.546  613.375    398.177  25.911  9.3796  31.666  10.207  -5.755457      13.86239  
1 1 1 5   4   31 o 30.502  1.4510  505.388    47.935   512.740    48.313   40.989     383.955  30.723  1.4519  21.089  9.1301  9.634085       9.244807  
1 1 1 5   4   32 o 38.260  3.3480  814.779    137.342  2294.91    480.402  683.035    143.324  61.832  7.3152  34.845  3.8626  26.98652       8.272319  
1 1 1 5   4   33 o 29.154  2.0963  468.105    65.754   637.607    333.324  461.242    67.072   30.338  9.2800  28.925  2.1564  1.413160       9.527248  
1 1 1 5   4   34 o 41.536  5.5455  1044.84    243.249  842.256    309.275  1373.41    393.879  35.005  8.2859  44.893  8.4095  -9.888439      11.80579  
1 1 1 5   4   35 o 25.521  8.7639  484.610    292.540  781.468    449.061  265.744    385.584  29.806  10.801  21.658  9.2596  8.148335       14.22644  
1 1 1 5   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   5   0  o 96.465  2.5753  5040.16    269.070  5012.48    380.576  5067.84    380.469  96.192  3.6528  96.722  3.6318  -0.5299377     5.151041  
1 1 1 5   5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   5   2  o 17.965  2.5929  178.441    48.993   178.331    70.172   178.545    68.434   17.808  3.7563  17.828  3.6665  -0.1988792E-01 5.249109  
1 1 1 5   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   5   4  o 246.259 4.3726  32863.36   1166.29  32546.87   1649.57  33179.70   1649.19  244.988 6.2166  247.361 6.1556  -2.373489      8.748579  
1 1 1 5   5   5  o 69.688  2.3881  2630.52    180.252  2471.51    255.178  2788.87    254.652  67.450  3.5050  71.748  3.2769  -4.298462      4.798267  
1 1 1 5   5   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   5   7  o 635.833 21.190  221204.41  14592.95 0.0000     0.0000   221204.41  14592.95 ?       ?       635.833 21.190  0.000000       21.18993  
1 1 1 5   5   8  o 259.220 4.6635  36403.41   1309.34  35640.80   1851.70  37165.99   1851.66  256.439 6.6668  261.873 6.5283  -5.433685      9.330852  
1 1 1 5   5   9  o 154.254 3.2339  12887.92   540.289  12536.75   764.022  13239.21   764.145  152.124 4.6370  156.330 4.5130  -4.205215      6.470609  
1 1 1 5   5   10 o 689.236 14.453  258142.00  10789.09 246115.50  16749.42 266671.09  14105.21 671.229 23.039  699.745 18.611  -28.51642      29.61677  
1 1 1 5   5   11 o 258.691 4.6497  36255.32   1302.81  38182.66   1842.75  34329.26   1842.14  265.433 6.4098  251.672 6.7580  13.76015       9.314262  
1 1 1 5   5   12 o 500.146 8.3177  135656.00  4505.77  136620.80  6372.52  134691.41  6371.73  501.577 11.730  498.013 11.813  3.564026       16.64738  
1 1 1 5   5   13 o 365.862 7.1208  72578.95   2821.75  72110.76   4885.97  72813.25   3456.43  364.225 12.385  366.340 8.7111  -2.114746      15.14208  
1 1 1 5   5   14 o 354.363 8.6081  68163.13   3303.91  68163.13   3303.91  0.0000     0.0000   354.363 8.6081  ?       ?       0.000000       8.608145  
1 1 1 5   5   15 o 413.310 8.7087  92792.18   3898.53  98365.32   6085.26  88912.38   5077.32  424.699 13.229  404.103 11.600  20.59659       17.59476  
1 1 1 5   5   16 o 170.118 3.4765  15682.32   640.557  15025.73   906.044  16338.44   905.724  166.462 5.0253  173.590 4.8173  -7.128296      6.961305  
1 1 1 5   5   17 o 231.160 4.3004  28970.89   1076.70  27979.11   1522.70  29962.64   1522.68  227.030 6.1924  234.958 5.9834  -7.928101      8.610847  
1 1 1 5   5   18 o 55.439  3.1527  1671.04    188.526  1598.50    268.012  1742.08    265.242  54.091  4.6190  56.509  4.3675  -2.418522      6.356908  
1 1 1 5   5   19 o 132.974 3.1653  9583.78    455.879  9434.85    657.628  9721.56    632.525  131.875 4.6041  133.876 4.3622  -2.000885      6.342454  
1 1 1 5   5   20 f 186.256 3.8838  18813.86   783.506  19725.36   1053.33  17684.88   1172.27  190.616 5.1020  180.403 5.9995  10.21278       7.875520  
1 1 1 5   5   21 o 108.887 2.9996  6427.13    353.759  6524.82    501.622  6330.46    498.971  109.658 4.2234  108.011 4.2652  1.647667       6.002428  
1 1 1 5   5   22 o 69.236  2.5545  2598.19    191.562  2840.99    337.170  2482.46    232.781  72.213  4.3309  67.661  3.1764  4.551949       5.370883  
1 1 1 5   5   23 o 249.396 4.5701  33801.38   1234.48  33538.56   1746.13  34064.02   1745.50  247.983 6.5011  249.933 6.4480  -1.949341      9.156457  
1 1 1 5   5   24 o 90.824  2.9844  4476.46    293.576  4635.35    415.435  4317.96    414.924  92.333  4.1541  89.103  4.2994  3.229759       5.978397  
1 1 1 5   5   25 o 86.460  2.7480  4058.41    257.338  4193.54    330.924  3851.69    409.307  87.821  3.4790  83.931  4.5192  3.890190       5.703218  
1 1 1 5   5   26 o 71.934  4.3883  2837.75    340.261  3108.24    490.988  2587.80    471.979  74.871  6.1078  68.172  6.4696  6.699020       8.897243  
1 1 1 5   5   27 o 32.487  1.1433  572.006    40.230   582.158    40.592   10.100     301.984  32.774  1.1435  19.180  8.1972  13.59431       8.276556  
1 1 1 5   5   28 o 69.752  2.7156  2649.69    205.161  2549.65    374.017  2692.75    245.370  67.752  5.1350  70.235  3.2255  -2.483093      6.063965  
1 1 1 5   5   29 o 26.459  8.3887  403.062    269.780  -499.9847  499.731  774.496    320.496  19.116  9.0540  36.001  8.3768  -16.88512      12.33476  
1 1 1 5   5   30 o 27.185  7.6050  441.101    232.711  587.086    334.587  304.310    323.879  30.998  9.2574  24.536  9.1247  6.461611       12.99843  
1 1 1 5   5   31 o 57.487  4.6312  1856.75    285.912  1666.01    372.006  2132.02    446.901  53.479  6.5599  60.317  6.9690  -6.837925      9.570788  
1 1 1 5   5   32 f 21.091  8.7805  140.249    332.103  380.639    411.131  -311.1405  563.376  26.300  10.163  21.043  9.8560  5.256569       14.15761  
1 1 1 5   5   33 o 6.0806  2.7281  -16.3210   37.279   380.289    419.902  -19.4718   37.427   25.209  10.106  5.9812  2.7040  19.22765       10.46169  
1 1 1 5   5   34 o 27.319  2.1193  412.764    62.217   677.213    338.728  403.530    63.294   30.309  9.3689  26.993  2.1837  3.316496       9.620014  
1 1 1 5   5   35 o 35.482  2.7400  706.933    104.485  1658.97    473.350  658.171    107.127  46.727  9.6715  34.145  2.9250  12.58232       10.10415  
1 1 1 5   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   6   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   6   2  o 161.157 3.3180  14069.05   579.146  14907.62   819.151  13230.95   818.922  165.868 4.5596  156.257 4.8388  9.611298       6.648604  
1 1 1 5   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   6   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   6   5  o 347.626 5.9809  65525.03   2251.90  66810.03   3184.86  64240.32   3184.48  350.807 8.3821  343.978 8.5475  6.829498       11.97158  
1 1 1 5   6   6  o 273.480 4.8563  40531.89   1438.47  40751.61   2034.48  40312.26   2034.12  274.125 6.8523  272.641 6.8883  1.483734       9.716122  
1 1 1 5   6   7  o 174.538 3.4918  16502.07   660.104  16175.42   933.584  16828.65   933.472  172.777 4.9888  176.234 4.8904  -3.456116      6.985985  
1 1 1 5   6   8  o 348.658 5.9837  65872.80   2259.64  66785.74   3195.76  64960.01   3195.48  350.961 8.4071  346.124 8.5238  4.836243       11.97222  
1 1 1 5   6   9  o 286.700 5.0717  44531.95   1574.89  45312.48   2227.32  43751.54   2227.13  289.146 7.1121  284.118 7.2373  5.027924       10.14693  
1 1 1 5   6   10 o 246.365 4.4539  32880.55   1188.47  33325.25   1681.01  32436.13   1680.50  247.986 6.2585  244.653 6.3419  3.332596       8.910027  
1 1 1 5   6   11 o 236.145 4.3393  30209.46   1109.87  31420.87   1569.78  28998.63   1569.40  240.796 6.0189  231.322 6.2639  9.473831       8.687034  
1 1 1 5   6   12 o 210.241 3.9225  23944.78   893.211  24570.35   1265.10  23322.97   1261.29  212.938 5.4853  207.459 5.6132  5.478531       7.848369  
1 1 1 5   6   13 o 177.388 4.0235  17047.55   773.031  14941.23   1333.07  18114.70   948.858  165.989 7.4149  182.841 4.7914  -16.85170      8.828216  
1 1 1 5   6   14 o 63.725  2.4643  2199.62    170.087  1875.47    206.317  2887.25    300.498  58.748  3.2551  72.900  3.8191  -14.15147      5.018095  
1 1 1 5   6   15 o 221.946 4.8185  26701.91   1158.32  23299.74   2006.50  28402.41   1418.56  207.087 8.9458  228.860 5.7228  -21.77312      10.61967  
1 1 1 5   6   16 o 274.940 5.3964  40998.73   1607.00  40151.12   2462.80  41627.19   2120.66  271.795 8.3660  276.889 7.0712  -5.093903      10.95408  
1 1 1 5   6   17 f 253.199 4.8833  34770.06   1339.21  36371.91   1772.71  32640.46   2043.98  258.836 6.3233  245.053 7.7010  13.78285       9.964394  
1 1 1 5   6   18 o 52.024  1.7721  1466.03    99.850   1324.17    141.225  1607.82    141.194  49.364  2.6511  54.476  2.3930  -5.111889      3.571347  
1 1 1 5   6   19 o 221.777 4.3923  26679.25   1055.05  26480.23   1403.02  26938.26   1600.56  220.808 5.8665  222.620 6.6380  -1.811722      8.858809  
1 1 1 5   6   20 o 347.108 6.3599  65498.06   2391.01  61079.39   3685.23  68710.34   3142.14  334.202 10.181  355.078 8.1702  -20.87665      13.05383  
1 1 1 5   6   21 o 22.030  6.4210  268.854    162.606  30.781     231.100  502.284    228.835  17.511  7.3103  29.779  7.1787  -12.26850      10.24570  
1 1 1 5   6   22 o 49.621  3.7146  1343.30    198.194  1327.30    281.419  1359.05    279.172  49.124  5.3770  49.730  5.2629  -0.6062050     7.523989  
1 1 1 5   6   23 o 169.483 3.7217  15592.11   683.182  15656.62   924.263  15514.42   1014.34  169.670 5.0294  168.820 5.5474  0.8497925      7.487904  
1 1 1 5   6   24 o 86.916  3.1390  4100.51    295.505  4074.15    415.841  4127.40    420.005  86.422  4.4577  86.984  4.4732  -0.5623627     6.315132  
1 1 1 5   6   25 o 63.330  3.4136  2186.75    233.282  2305.89    328.837  2066.06    330.995  64.844  4.7143  61.306  5.0291  3.537834       6.893214  
1 1 1 5   6   26 o 104.940 4.2588  6014.81    484.054  5889.96    690.722  6135.30    678.550  103.177 6.2098  105.395 5.9687  -2.218521      8.613175  
1 1 1 5   6   27 o 41.843  2.1571  953.325    97.429   953.571    101.533  950.466    346.197  41.839  2.2488  40.427  8.1872  1.411636       8.490384  
1 1 1 5   6   28 o 59.524  2.6452  1929.07    170.537  2482.62    347.770  1753.82    195.679  66.946  4.8286  56.596  3.2053  10.34953       5.795671  
1 1 1 5   6   29 o 39.620  5.7982  893.392    241.450  700.251    343.848  1081.26    339.124  34.044  9.1350  43.011  7.5554  -8.966404      11.85466  
1 1 1 5   6   30 o 61.130  4.0028  2070.76    263.560  1924.02    361.384  2237.49    385.218  58.188  5.8119  62.830  5.7235  -4.641880      8.156979  
1 1 1 5   6   31 o 49.720  4.7322  1393.97    251.766  1174.84    343.705  1647.68    369.829  44.359  7.4155  53.178  6.5600  -8.818985      9.900608  
1 1 1 5   6   32 o 36.937  6.9028  823.421    266.004  673.710    340.121  1059.23    426.858  32.230  9.2557  40.057  9.8964  -7.826244      13.55012  
1 1 1 5   6   33 o 19.071  8.3829  46.784     334.320  308.479    413.662  -446.0815  567.691  24.028  9.8824  19.306  9.2813  4.721889       13.55742  
1 1 1 5   6   34 o 28.046  7.9527  538.108    252.691  -77.8539   336.534  1334.24    382.599  17.176  7.8952  44.384  8.2629  -27.20770      11.42845  
1 1 1 5   6   35 f 14.367  6.7795  -170.5139  275.417  -341.6878  418.237  -39.4495   365.971  16.225  7.8412  17.725  8.1785  -1.499920      11.33015  
1 1 1 5   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   7   0  o 543.983 18.210  161543.70  10729.02 0.0000     0.0000   161543.70  10729.02 ?       ?       543.983 18.210  0.000000       18.20979  
1 1 1 5   7   1  o 445.071 15.047  107892.80  7253.67  107892.80  7253.67  0.0000     0.0000   445.071 15.047  ?       ?       0.000000       15.04729  
1 1 1 5   7   2  o 325.070 6.3764  57291.10   2245.05  54828.11   2749.13  62222.26   3889.90  317.903 7.9842  338.431 10.612  -20.52777      13.28014  
1 1 1 5   7   3  o 199.958 3.9171  21663.83   848.347  21159.49   1199.60  22168.40   1199.88  197.564 5.6061  202.224 5.4782  -4.659912      7.838280  
1 1 1 5   7   4  o 82.449  2.4277  3682.15    216.793  3666.12    306.935  3698.11    306.248  82.261  3.4450  82.619  3.4223  -0.3584061     4.855947  
1 1 1 5   7   5  o 513.830 9.8872  143464.41  5502.56  145712.30  6739.14  138968.20  9530.96  517.423 12.025  503.919 17.462  13.50339       21.20239  
1 1 1 5   7   6  o 408.706 6.9090  90586.45   3058.40  92495.83   4325.46  88677.48   4324.99  412.716 9.6763  404.084 9.8820  8.632019       13.83056  
1 1 1 5   7   7  o 140.518 3.1247  10695.40   475.567  11108.44   649.250  10217.23   698.562  143.194 4.1862  137.323 4.6967  5.870895       6.291495  
1 1 1 5   7   8  o 244.366 4.4591  32349.56   1180.22  32139.46   1669.17  32559.61   1668.99  243.530 6.3282  245.118 6.2865  -1.587769      8.919966  
1 1 1 5   7   9  o 197.691 3.9894  21170.09   854.206  21390.36   1140.02  20888.10   1289.88  198.698 5.2972  196.338 6.0656  2.360062       8.053061  
1 1 1 5   7   10 f 294.858 5.1920  47104.31   1658.12  48792.49   2345.08  45416.53   2344.81  300.034 7.2164  289.459 7.4791  10.57492       10.39293  
1 1 1 5   7   11 o 284.378 5.0386  43815.89   1551.95  44010.93   2194.74  43620.83   2194.83  284.946 7.1113  283.679 7.1434  1.266785       10.07961  
1 1 1 5   7   12 o 172.731 3.4684  16161.77   648.896  16401.54   920.029  15924.44   915.343  173.987 4.8822  171.437 4.9296  2.549988       6.938046  
1 1 1 5   7   13 o 383.954 9.2512  80006.84   3847.23  83441.17   5441.36  76573.89   5440.26  391.723 12.825  375.189 13.387  16.53452       18.53931  
1 1 1 5   7   14 f 637.470 10.490  220848.41  7242.90  212824.41  10242.44 228874.09  10243.59 624.591 15.140  647.881 14.598  -23.29010      21.03157  
1 1 1 5   7   15 o 522.548 12.341  148798.20  6984.70  140559.91  9876.95  157039.50  9878.77  506.101 18.018  535.320 17.038  -29.21878      24.79830  
1 1 1 5   7   16 o 126.610 3.0634  8685.34    420.085  9060.05    586.214  8289.79    602.294  129.284 4.1864  123.658 4.4969  5.626488       6.143960  
1 1 1 5   7   17 f 334.946 5.8162  60884.27   2110.02  59467.60   2983.81  62301.33   2984.23  330.660 8.3314  338.480 8.1401  -7.819702      11.64790  
1 1 1 5   7   18 o 316.512 5.5311  54375.41   1896.15  53137.65   2681.34  55613.59   2681.78  312.519 7.9215  319.750 7.7436  -7.230774      11.07760  
1 1 1 5   7   19 o 393.328 6.6866  84097.05   2848.57  84489.27   4028.42  83704.80   4028.55  393.508 9.4517  391.663 9.4966  1.845001       13.39850  
1 1 1 5   7   20 o 230.973 4.4840  28946.15   1121.74  29093.01   1489.87  28753.94   1704.48  231.391 5.9447  229.914 6.8447  1.477509       9.065866  
1 1 1 5   7   21 o 247.145 4.5494  33153.72   1217.80  33705.64   1722.33  32601.93   1722.14  248.918 6.3884  244.790 6.4954  4.127899       9.110489  
1 1 1 5   7   22 o 72.134  3.1010  2821.39    242.279  2867.40    341.095  2774.54    344.193  72.545  4.3614  71.344  4.4769  1.200592       6.250164  
1 1 1 5   7   23 o 50.569  3.6350  1395.10    197.766  1263.42    273.794  1538.76    285.968  47.888  5.3713  52.953  5.0472  -5.065018      7.370535  
1 1 1 5   7   24 o 144.618 3.4024  11357.28   532.946  11176.80   730.507  11562.65   779.251  143.286 4.7071  145.700 4.9380  -2.414154      6.822011  
1 1 1 5   7   25 o 39.139  6.2752  860.825    257.031  770.718    373.736  941.692    354.056  36.502  9.3972  40.520  8.3452  -4.018253      12.56783  
1 1 1 5   7   26 o 24.033  7.7699  314.157    230.587  182.487    340.564  425.614    313.334  23.215  9.1680  27.848  9.0616  -4.633738      12.89045  
1 1 1 5   7   27 o 53.050  2.2833  1528.87    131.197  1610.27    146.356  1195.86    296.029  54.428  2.4826  46.112  6.0751  8.316200       6.562783  
1 1 1 5   7   28 o 14.300  4.1078  114.752    66.985   407.415    288.822  98.115     68.863   26.867  8.6969  13.447  4.2355  13.42032       9.673399  
1 1 1 5   7   29 o 36.326  2.6982  723.396    105.399  990.238    335.777  694.229    111.010  41.001  7.8470  35.546  2.9088  5.454338       8.368824  
1 1 1 5   7   30 o 16.225  1.7317  144.689    29.961   147.464    30.099   -156.0645  313.360  16.383  1.7220  16.916  7.7163  -0.5325699     7.906113  
1 1 1 5   7   31 f 27.913  7.4009  472.088    227.390  508.804    311.569  430.244    332.618  28.761  9.0012  27.019  9.3412  1.742281       12.97222  
1 1 1 5   7   32 o 35.475  1.8100  687.437    69.313   698.333    70.289   303.449    417.269  35.754  1.8211  25.079  10.067  10.67469       10.23071  
1 1 1 5   7   33 o 44.817  8.3209  1316.57    389.037  1288.05    474.338  1375.19    679.987  42.143  10.445  39.532  13.364  2.611504       16.96111  
1 1 1 5   7   34 o 45.357  8.0728  1380.40    382.050  1217.54    481.023  1658.68    628.787  39.055  10.937  43.216  12.635  -4.160091      16.71134  
1 1 1 5   7   35 o 38.391  8.7711  1076.91    356.733  732.714    469.711  1546.03    548.365  28.671  10.917  41.619  11.685  -12.94765      15.99175  
1 1 1 5   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   8   1  f 206.207 3.8511  23036.56   860.125  21623.50   1216.30  24450.11   1216.50  199.738 5.6222  212.402 5.2879  -12.66423      7.718252  
1 1 1 5   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   8   4  o 109.075 2.6634  6444.71    314.652  6487.26    445.322  6402.29    444.649  109.421 3.7575  108.701 3.7767  0.7192459      5.327529  
1 1 1 5   8   5  o 294.579 5.1657  47036.92   1648.16  46496.79   2331.11  47576.82   2330.58  292.746 7.3519  296.133 7.2662  -3.386749      10.33675  
1 1 1 5   8   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   8   7  o 215.921 4.2479  25257.74   993.443  25880.41   1320.55  24445.86   1507.89  218.537 5.5791  212.368 6.5556  6.169189       8.608229  
1 1 1 5   8   8  o 260.921 4.6810  36882.23   1322.87  37563.13   1871.08  36201.69   1870.57  263.273 6.5617  258.454 6.6822  4.818512       9.365241  
1 1 1 5   8   9  o 312.835 5.8729  53027.74   1989.94  53228.28   2617.77  52753.23   3062.73  313.364 7.7128  311.908 9.0659  1.456696       11.90288  
1 1 1 5   8   10 o 538.883 8.9744  157473.91  5238.04  160571.30  7407.80  154376.59  7407.63  543.807 12.577  533.186 12.827  10.62097       17.96427  
1 1 1 5   8   11 o 624.463 10.327  211588.70  6985.03  213278.09  9878.30  209899.30  9878.35  626.354 14.561  621.354 14.678  5.000549       20.67550  
1 1 1 5   8   12 o 60.889  2.9661  2008.16    195.611  2248.02    337.069  1886.36    240.196  64.228  4.8819  58.889  3.7859  5.339005       6.177888  
1 1 1 5   8   13 o 326.016 6.4699  57620.61   2284.58  58708.57   2798.84  55448.49   3954.72  328.996 7.8545  319.452 11.430  9.544037       13.86845  
1 1 1 5   8   14 o 146.403 3.1145  11611.28   493.869  11326.37   695.475  11901.08   701.436  144.572 4.4415  148.197 4.3700  -3.624023      6.230835  
1 1 1 5   8   15 o 34.784  6.2133  676.106    225.495  720.872    321.047  632.518    316.792  35.718  8.4336  33.500  8.6655  2.218277       12.09205  
1 1 1 5   8   16 o 413.478 7.6603  92873.21   3430.56  91083.32   5308.12  94157.07   4495.60  408.557 11.995  415.877 9.9805  -7.320343      15.60456  
1 1 1 5   8   17 o 272.490 4.8852  40270.89   1441.79  39405.61   2038.72  41136.61   2039.26  269.335 6.9887  275.205 6.8414  -5.869629      9.779907  
1 1 1 5   8   18 o 179.034 3.7915  17377.06   735.226  17366.99   989.228  17389.47   1098.94  178.905 5.1051  178.980 5.6689  -0.7543945E-01 7.628775  
1 1 1 5   8   19 o 99.633  2.7055  5379.18    291.960  5554.04    412.455  5203.56    413.334  101.210 3.7625  97.961  3.8956  3.249611       5.415979  
1 1 1 5   8   20 o 147.192 3.2577  11744.87   519.351  12244.98   734.921  11245.97   734.027  150.223 4.5168  143.953 4.7078  6.270477       6.524219  
1 1 1 5   8   21 o 263.267 5.0700  37641.86   1445.68  36024.06   2207.67  38856.43   1912.86  257.018 7.9305  267.215 6.6093  -10.19611      10.32352  
1 1 1 5   8   22 o 164.511 3.6066  14681.63   642.624  14483.54   870.460  14918.94   952.716  163.276 4.9222  165.669 5.3095  -2.392746      7.240052  
1 1 1 5   8   23 o 283.195 5.0174  43619.82   1538.99  42276.16   2174.98  44967.14   2177.94  278.159 7.2192  286.949 7.0076  -8.789703      10.06102  
1 1 1 5   8   24 o 207.959 4.6419  23541.36   1045.54  23972.67   1282.40  22686.27   1805.65  209.597 5.6489  203.041 8.2107  6.556168       9.966237  
1 1 1 5   8   25 o 141.430 4.6271  10911.81   708.797  10322.33   1005.57  11493.90   999.243  136.987 6.7774  144.680 6.3766  -7.693649      9.305608  
1 1 1 5   8   26 o 115.725 3.5617  7296.72    446.431  7760.61    766.578  7058.65    549.166  118.551 5.9895  113.626 4.4622  4.924828       7.468972  
1 1 1 5   8   27 o 46.893  4.2110  1212.95    211.594  1260.44    311.996  1172.51    287.930  47.311  6.2409  45.682  5.9614  1.628727       8.630602  
1 1 1 5   8   28 o 77.738  3.4599  3303.12    291.317  3278.39    395.414  3332.47    430.829  76.990  4.7653  77.486  5.1631  -0.4955597     7.026009  
1 1 1 5   8   29 f 63.328  2.5840  2185.65    177.240  2123.11    361.458  2205.45    203.367  61.517  5.4824  63.552  2.9545  -2.035511      6.227787  
1 1 1 5   8   30 o 58.260  1.9444  1846.55    122.694  1297.56    295.072  1961.31    134.910  47.670  5.8368  60.025  2.0751  -12.35413      6.194740  
1 1 1 5   8   31 o 40.247  5.6175  932.983    238.201  980.419    326.280  878.848    348.557  40.261  7.7638  37.585  8.7294  2.675430       11.68238  
1 1 1 5   8   32 f 42.656  5.4949  1054.84    247.965  967.071    338.809  1156.08    363.883  39.298  8.2241  43.157  8.0816  -3.859535      11.53034  
1 1 1 5   8   33 o 43.967  6.0443  1168.01    280.220  1394.78    361.735  827.713    443.116  47.014  7.3440  33.171  10.775  13.84352       13.03990  
1 1 1 5   8   34 o 54.953  7.1417  1938.56    415.028  1795.24    509.738  2220.42    714.841  49.601  9.8356  49.986  13.060  -0.3847923     16.34911  
1 1 1 5   8   35 o 22.182  9.1078  319.723    350.618  331.416    434.430  297.874    593.820  22.832  9.7967  23.391  10.651  -0.5591011     14.47169  
1 1 1 5   8   36 o 17.489  8.2884  -114.6871  419.986  -114.6871  419.986  0.0000     0.0000   17.489  8.2884  ?       ?       0.000000       8.288427  
1 1 1 5   9   0  o 316.778 9.2365  54467.23   3169.06  53576.18   3826.44  56413.20   5654.71  314.003 11.251  321.211 16.307  -7.207916      19.81174  
1 1 1 5   9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   9   2  o 318.729 7.8117  55119.56   2696.74  49583.36   3813.47  60657.50   3814.06  301.949 11.660  334.098 10.540  -32.14981      15.71814  
1 1 1 5   9   3  o 307.347 6.0705  51220.30   2020.81  48516.34   2474.35  56636.52   3501.94  299.015 7.6401  322.840 10.015  -23.82538      12.59646  
1 1 1 5   9   4  o 299.017 5.1944  48467.22   1682.28  50180.27   2379.36  46754.92   2378.84  304.119 7.2235  293.536 7.4823  10.58301       10.40015  
1 1 1 5   9   5  o 424.846 7.2234  97914.28   3323.85  97200.83   4700.81  98627.63   4700.46  422.928 10.262  426.031 10.187  -3.103485      14.45951  
1 1 1 5   9   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   9   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   9   8  o 714.738 16.672  277903.59  12906.03 267761.09  18251.75 288046.41  18252.01 699.864 24.078  726.132 23.207  -26.26764      33.44144  
1 1 1 5   9   9  o 337.846 6.2850  61851.06   2299.84  60626.55   3021.24  63538.29   3546.44  334.407 8.3414  342.284 9.5661  -7.877472      12.69213  
1 1 1 5   9   10 o 487.764 8.7513  129007.30  4623.30  125311.40  7169.77  131637.91  6048.88  480.272 13.783  492.498 11.340  -12.22614      17.84832  
1 1 1 5   9   11 o 259.757 4.6632  36555.14   1311.97  35093.25   1855.07  38018.07   1855.74  254.456 6.7310  264.855 6.4690  -10.39992      9.335649  
1 1 1 5   9   12 o 621.621 11.871  209877.30  7992.24  212589.59  13842.30 208520.91  9788.69  623.820 20.487  619.145 14.597  4.674805       25.15531  
1 1 1 5   9   13 o 344.238 6.7906  64250.32   2531.85  67178.52   3101.74  58403.75   4382.84  351.903 8.1379  327.752 12.346  24.15103       14.78710  
1 1 1 5   9   14 o 208.530 4.1163  23562.46   929.706  23353.19   1238.74  23832.39   1406.85  207.556 5.5103  209.647 6.1957  -2.090851      8.291562  
1 1 1 5   9   15 o 134.160 3.8018  9753.25    552.442  9782.22    664.679  9688.54    993.488  134.341 4.5681  133.443 6.8974  0.8973999      8.272914  
1 1 1 5   9   16 o 353.922 6.0774  67969.45   2329.69  65053.79   3294.19  70886.86   3295.17  345.875 8.7935  361.109 8.4250  -15.23474      12.17806  
1 1 1 5   9   17 f 245.371 4.7629  32651.94   1265.81  33683.80   1676.45  31283.53   1930.58  249.092 6.2138  239.928 7.4291  9.164536       9.685193  
1 1 1 5   9   18 o 109.895 2.9391  6544.53    349.835  6684.52    494.966  6404.78    494.518  111.030 4.1159  108.679 4.2011  2.350945       5.881334  
1 1 1 5   9   19 o 99.105  2.9004  5322.83    311.331  4915.94    440.104  5730.39    440.474  95.202  4.2681  102.798 3.9561  -7.595444      5.819593  
1 1 1 5   9   20 o 209.964 4.0084  23911.00   911.558  23274.79   1288.32  24548.83   1289.96  206.984 5.7466  212.591 5.6022  -5.606201      8.025531  
1 1 1 5   9   21 o 334.012 5.7267  60639.52   2071.73  55193.37   2927.61  66102.54   2932.14  317.961 8.5010  348.197 7.7748  -30.23566      11.52015  
1 1 1 5   9   22 o 147.142 3.2468  11741.49   517.436  11324.03   722.866  12180.16   741.001  144.399 4.6219  149.762 4.5682  -5.363983      6.498528  
1 1 1 5   9   23 o 151.225 3.4028  12409.71   557.362  12326.01   785.552  12494.57   790.934  150.563 4.8171  151.589 4.8173  -1.025940      6.812552  
1 1 1 5   9   24 o 97.698  4.2965  5192.27    454.647  5749.95    649.527  4656.56    636.604  102.448 5.8782  92.050  6.4255  10.39757       8.708667  
1 1 1 5   9   25 o 143.148 4.5777  11177.97   709.743  11351.64   1020.23  11015.09   988.005  143.712 6.5544  141.601 6.4420  2.111008       9.190217  
1 1 1 5   9   26 o 127.564 3.1584  8854.88    436.373  8340.28    614.710  9377.65    619.568  123.471 4.5966  130.989 4.3670  -7.518227      6.340305  
1 1 1 5   9   27 o 109.277 3.1714  6506.49    375.362  6068.66    530.541  6945.31    531.142  105.167 4.6577  112.599 4.3552  -7.431992      6.376650  
1 1 1 5   9   28 o 117.978 3.1580  7596.51    403.537  7697.26    561.481  7488.88    580.363  118.336 4.3807  116.637 4.5940  1.698708       6.347899  
1 1 1 5   9   29 o 55.062  4.2881  1680.40    253.717  1598.46    347.102  1774.41    371.790  53.057  6.1544  55.896  6.2480  -2.838547      8.770068  
1 1 1 5   9   30 o 46.944  1.9974  1199.20    101.556  926.261    323.645  1229.01    106.958  39.331  7.8722  47.514  2.0784  -8.183868      8.141900  
1 1 1 5   9   31 o 46.492  1.6652  1175.39    83.853   623.852    322.115  1215.48    86.848   31.573  8.9880  47.275  1.6961  -15.70130      9.146618  
1 1 1 5   9   32 o 31.538  1.4327  540.738    48.940   147.122    311.581  550.694    49.555   20.747  8.5599  31.827  1.4376  -11.07985      8.679769  
1 1 1 5   9   33 o 55.436  2.7465  1699.75    164.910  1773.65    380.858  1682.70    182.950  53.676  6.6968  54.928  3.0877  -1.251976      7.374347  
1 1 1 5   9   34 o 33.119  2.7559  613.545    97.961   1037.90    455.401  592.956    100.310  35.950  10.815  32.508  2.8787  3.441666       11.19123  
1 1 1 5   9   35 o 28.729  2.6627  463.874    81.913   807.474    452.375  452.227    83.290   30.152  10.853  28.330  2.7490  1.822050       11.19543  
1 1 1 5   9   36 o 17.807  8.3790  -67.2178   415.312  -67.2178   415.312  0.0000     0.0000   17.807  8.3790  ?       ?       0.000000       8.379017  
1 1 1 5   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   10  1  o 257.508 6.5593  35956.41   1829.44  34685.40   2587.15  37227.57   2587.30  252.742 9.4509  261.864 9.1222  -9.121902      13.13525  
1 1 1 5   10  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   10  3  o 504.579 16.992  139264.09  9286.31  0.0000     0.0000   139264.09  9286.31  ?       ?       504.579 16.992  0.000000       16.99198  
1 1 1 5   10  4  o 119.943 2.8021  7793.03    364.028  7735.36    515.167  7850.54    514.459  119.481 3.9809  120.368 3.9461  -0.8868027     5.605280  
1 1 1 5   10  5  o 190.233 3.6784  19606.39   757.911  19680.06   1072.15  19532.80   1071.55  190.550 5.1949  189.835 5.2115  0.7147675      7.358454  
1 1 1 5   10  6  o 648.280 21.618  230255.50  15179.34 0.0000     0.0000   230255.50  15179.34 ?       ?       648.280 21.618  0.000000       21.61821  
1 1 1 5   10  7  o 240.288 4.3912  31279.81   1142.84  32417.76   1616.56  30142.82   1615.88  244.578 6.1024  235.834 6.3261  8.744049       8.789692  
1 1 1 5   10  8  o 509.729 8.5229  140871.00  4705.41  138599.91  6654.48  143142.09  6654.44  505.300 12.159  513.533 11.964  -8.232330      17.05796  
1 1 1 5   10  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   10  10 o 156.601 3.2591  13283.36   552.797  12920.58   782.224  13645.31   781.324  154.433 4.6765  158.707 4.5453  -4.273651      6.521465  
1 1 1 5   10  11 o 185.147 3.5942  18568.60   720.756  18943.53   1021.34  18196.65   1017.28  186.986 5.0431  183.261 5.1250  3.724594       7.190168  
1 1 1 5   10  12 o 301.895 6.7754  49405.12   2215.44  45544.86   3478.40  52039.89   2873.71  289.625 11.089  309.750 8.5657  -20.12534      14.01165  
1 1 1 5   10  13 o 445.043 8.6724  107474.60  4180.33  108056.90  5120.45  106310.70  7238.80  446.028 10.599  441.732 15.130  4.296448       18.47322  
1 1 1 5   10  14 o 413.584 6.9924  92785.97   3132.26  91358.93   4429.13  94213.73   4430.24  410.043 9.9728  416.421 9.8225  -6.378052      13.99785  
1 1 1 5   10  15 o 484.858 9.4006  127795.60  4936.73  127985.10  6045.96  127416.40  8551.43  484.758 11.515  482.286 16.371  2.472351       20.01487  
1 1 1 5   10  16 o 173.686 3.7613  16349.54   707.573  16532.74   1055.26  16199.90   953.746  174.577 5.5809  172.835 5.0949  1.742020       7.556693  
1 1 1 5   10  17 o 264.406 4.7423  37914.45   1358.10  36015.82   1920.07  39815.33   1921.21  257.497 6.8845  270.777 6.5508  -13.28046      9.503139  
1 1 1 5   10  18 o 201.984 4.0140  22120.83   878.143  22649.51   1173.92  21449.14   1323.20  204.292 5.3054  198.733 6.1473  5.558990       8.120159  
1 1 1 5   10  19 o 185.673 3.6319  18690.83   730.397  17818.40   1031.92  19566.72   1033.96  181.176 5.2586  189.876 5.0276  -8.699677      7.275318  
1 1 1 5   10  20 o 118.906 3.0201  7663.57    388.951  7606.54    545.307  7722.63    554.940  118.412 4.2518  119.310 4.2943  -0.8980637     6.043125  
1 1 1 5   10  21 o 125.471 3.0795  8534.75    418.499  8399.72    589.239  8672.20    594.490  124.407 4.3730  126.411 4.3420  -2.003670      6.162466  
1 1 1 5   10  22 o 158.793 3.5790  13678.86   615.550  12988.06   902.224  14280.42   841.937  154.563 5.3894  162.136 4.7943  -7.573334      7.213263  
1 1 1 5   10  23 o 58.604  2.8478  1862.55    180.763  2075.01    454.777  1822.68    196.993  61.252  6.9797  57.878  3.1543  3.373829       7.659338  
1 1 1 5   10  24 o 178.806 5.1919  17429.56   1005.49  18035.59   1424.24  16827.36   1419.73  181.318 7.2522  175.065 7.4875  6.252686       10.42387  
1 1 1 5   10  25 o 152.470 3.3778  12640.11   557.804  12672.30   786.576  12607.55   791.152  152.362 4.7664  151.962 4.8068  0.4000397      6.769368  
1 1 1 5   10  26 o 46.129  2.0908  1154.82    104.464  973.280    280.890  1183.96    112.536  41.513  6.4570  46.701  2.2248  -5.187851      6.829536  
1 1 1 5   10  27 o 79.965  3.2928  3485.88    285.191  3421.24    404.016  3550.08    402.630  78.801  4.7560  80.306  4.6489  -1.505585      6.650664  
1 1 1 5   10  28 o 67.152  2.7241  2456.29    198.130  2262.37    234.775  2936.17    369.316  64.259  3.3852  72.858  4.7052  -8.599419      5.796427  
1 1 1 5   10  29 o 44.323  5.0485  1103.05    238.037  958.782    325.126  1269.73    349.459  40.352  7.7203  46.837  7.1122  -6.485619      10.49702  
1 1 1 5   10  30 o 22.712  7.5615  289.702    217.723  402.962    296.783  157.712    320.382  26.394  8.8292  21.653  8.7758  4.740643       12.44862  
1 1 1 5   10  31 o 60.725  2.6981  2018.65    177.462  2010.88    198.680  2049.33    394.664  60.447  3.0444  59.564  6.2087  0.8824654      6.914967  
1 1 1 5   10  32 o 25.937  7.7005  415.951    232.019  335.800    318.039  507.141    339.234  24.414  9.0495  28.263  9.4396  -3.848764      13.07664  
1 1 1 5   10  33 o 18.948  2.3122  200.183    46.468   197.011    46.900   370.118    343.303  18.785  2.3570  24.351  9.3189  -5.566254      9.612369  
1 1 1 5   10  34 o 29.086  8.2301  588.213    270.925  588.078    345.863  588.428    435.848  28.118  9.5307  27.595  10.514  0.5225105      14.19109  
1 1 1 5   10  35 o 25.247  9.6691  496.486    369.758  647.023    441.355  142.080    677.201  27.461  10.553  22.710  10.690  4.750969       15.02138  
1 1 1 5   10  36 o 18.097  8.4710  -33.9234   415.107  -33.9234   415.107  0.0000     0.0000   18.097  8.4710  ?       ?       0.000000       8.471012  
1 1 1 5   11  0  o 180.514 3.5368  17653.36   691.500  17777.96   797.891  17277.36   1386.05  181.139 4.0669  178.477 7.1701  2.662537       8.243199  
1 1 1 5   11  1  o 311.881 7.7034  52776.33   2602.20  53540.95   3680.23  52011.85   3679.91  313.843 10.827  309.312 10.984  4.530945       15.42303  
1 1 1 5   11  2  o 175.430 3.4984  16673.58   664.721  15367.42   939.890  17980.67   940.227  168.378 5.1537  182.145 4.7659  -13.76643      7.019585  
1 1 1 5   11  3  o 271.443 4.7387  39934.15   1393.19  41356.41   1970.42  38512.32   1970.11  276.131 6.5883  266.452 6.8266  9.679047       9.487217  
1 1 1 5   11  4  o 363.279 6.3465  71568.39   2497.15  70672.88   3531.60  72463.79   3531.39  360.742 9.0387  365.297 8.9255  -4.554901      12.70281  
1 1 1 5   11  5  o 259.543 4.5504  36503.19   1279.17  37439.79   1809.32  35567.21   1808.72  262.774 6.3572  256.110 6.5204  6.663788       9.106524  
1 1 1 5   11  6  o 244.181 4.3718  32304.20   1156.22  32611.20   1635.39  31997.39   1634.89  245.284 6.1558  242.962 6.2127  2.321365       8.745912  
1 1 1 5   11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   11  8  o 559.512 10.020  169800.59  6072.47  164032.00  9429.98  173887.41  7937.21  549.280 15.851  565.908 12.949  -16.62836      20.46781  
1 1 1 5   11  9  o 264.503 4.7171  37901.28   1351.37  36825.39   1911.20  38977.00   1911.05  260.673 6.7692  268.186 6.5791  -7.512482      9.439630  
1 1 1 5   11  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   11  11 o 755.617 15.941  310671.09  13046.56 315230.09  20245.90 307433.41  17061.36 758.656 24.639  750.369 20.993  8.286743       32.36930  
1 1 1 5   11  12 o 324.909 6.4471  57220.32   2268.79  53781.28   3926.88  58943.48   2779.67  314.686 11.521  329.697 7.7841  -15.01151      13.90438  
1 1 1 5   11  13 o 428.435 8.2513  99588.61   3828.94  102800.00  4690.02  93170.35   6630.38  435.107 9.9520  413.558 14.802  21.54877       17.83682  
1 1 1 5   11  14 o 136.784 3.1579  10135.87   467.848  10617.71   678.825  9699.91    645.691  139.973 4.4776  133.788 4.4559  6.185913       6.316958  
1 1 1 5   11  15 o 142.129 3.9666  10947.26   610.621  11256.11   730.446  10230.64   1112.66  144.101 4.6801  137.071 7.5233  7.029892       8.860221  
1 1 1 5   11  16 o 397.003 7.7910  85639.32   3350.09  83435.99   5802.35  86741.08   4103.06  390.503 13.719  399.229 9.4889  -8.725311      16.68049  
1 1 1 5   11  17 o 216.013 4.3240  25300.09   1011.67  23864.17   1530.59  26414.07   1348.14  209.614 6.7417  220.624 5.6417  -11.01086      8.790867  
1 1 1 5   11  18 o 130.331 3.0698  9205.39    433.342  8655.55    610.431  9763.99    615.274  126.328 4.4613  134.184 4.2335  -7.855316      6.150289  
1 1 1 5   11  19 o 227.365 4.9147  28053.58   1210.31  26452.97   1708.61  29665.57   1714.67  220.529 7.1533  233.589 6.7773  -13.05981      9.854042  
1 1 1 5   11  20 o 210.078 3.9879  23936.94   907.385  23475.06   1281.79  24400.90   1284.69  207.877 5.6930  211.947 5.5963  -4.070740      7.983016  
1 1 1 5   11  21 o 166.927 3.5191  15111.35   636.250  14982.78   897.274  15241.37   902.335  166.097 4.9876  167.526 4.9730  -1.428635      7.043193  
1 1 1 5   11  22 o 225.087 4.9039  27527.20   1195.54  27989.62   1465.22  26606.09   2067.95  226.792 5.9649  220.528 8.6578  6.264114       10.51367  
1 1 1 5   11  23 o 263.764 7.9890  38105.84   2282.33  39466.01   3968.55  37433.64   2789.86  265.117 13.869  260.651 9.8822  4.466522       17.02934  
1 1 1 5   11  24 o 94.701  4.3053  4879.48    441.601  4929.58    628.661  4830.69    620.456  94.762  6.1585  93.807  6.1406  0.9552994      8.696744  
1 1 1 5   11  25 o 150.759 3.3606  12358.36   548.741  12146.55   773.258  12573.24   778.846  149.152 4.7866  151.762 4.7383  -2.609497      6.735147  
1 1 1 5   11  26 o 162.385 3.5851  14370.54   630.543  13902.93   853.080  14933.64   936.143  159.269 4.9452  164.947 5.2400  -5.677719      7.205041  
1 1 1 5   11  27 o 16.616  6.7634  65.152     191.256  -216.6416  269.914  349.305    271.042  15.022  6.9637  25.362  8.4364  -10.34010      10.93922  
1 1 1 5   11  28 o 79.549  2.7899  3448.01    240.374  3601.85    299.247  3168.22    403.566  81.183  3.4032  75.604  4.9557  5.578590       6.011755  
1 1 1 5   11  29 o 56.000  4.2438  1737.50    255.495  1412.42    348.312  2116.14    375.913  49.630  6.6466  61.296  5.7287  -11.66555      8.774689  
1 1 1 5   11  30 o 16.324  6.9255  27.017     212.741  -26.6282   290.811  88.778     312.032  17.909  7.8463  20.279  8.4825  -2.370075      11.55500  
1 1 1 5   11  31 o 36.805  2.2515  741.841    89.320   735.664    92.394   830.068    349.197  36.634  2.3408  36.392  8.9268  0.2427139      9.228634  
1 1 1 5   11  32 o 22.168  7.7336  281.761    228.231  408.846    311.950  135.382    334.793  25.928  9.0416  20.998  8.7852  4.930027       12.60680  
1 1 1 5   11  33 o 32.239  7.1636  664.411    243.643  431.552    334.360  928.031    355.760  25.498  9.3074  36.711  9.0135  -11.21348      12.95646  
1 1 1 5   11  34 o 33.228  7.6491  739.969    269.585  997.568    341.510  314.030    439.142  37.884  8.5286  23.427  9.9452  14.45671       13.10128  
1 1 1 5   11  35 o 35.041  9.7348  970.491    382.692  948.087    462.087  1019.41    682.817  32.557  11.016  30.383  12.615  2.174494       16.74787  
1 1 1 5   11  36 o 15.842  7.6783  -315.3199  408.329  -315.3199  408.329  0.0000     0.0000   15.842  7.6783  ?       ?       0.000000       7.678327  
1 1 1 5   12  0  o 341.007 11.810  63261.00   4361.97  0.0000     0.0000   63261.00   4361.97  ?       ?       341.007 11.810  0.000000       11.80998  
1 1 1 5   12  1  o 78.233  3.4570  3315.81    292.930  3425.12    414.919  3207.18    413.615  79.348  4.8512  76.761  5.0022  2.587151       6.968229  
1 1 1 5   12  2  o 318.100 6.5012  54878.33   2239.90  53950.43   2742.64  56736.88   3881.54  315.279 8.0316  322.993 11.095  -7.714020      13.69721  
1 1 1 5   12  3  o 390.516 9.4111  82846.49   3980.60  79731.13   5629.35  85962.01   5629.49  382.456 13.590  397.213 13.085  -14.75699      18.86521  
1 1 1 5   12  4  o 450.248 10.729  110210.50  5232.21  111684.40  7399.80  108737.00  7399.13  452.392 15.102  446.337 15.306  6.055511       21.50184  
1 1 1 5   12  5  o 288.361 5.0932  45064.47   1590.72  44595.74   2249.86  45533.00   2249.39  286.748 7.2441  289.750 7.1675  -3.002167      10.19072  
1 1 1 5   12  6  o 336.778 5.7968  61468.30   2114.48  62391.62   2990.57  60545.29   2990.08  339.175 8.1407  334.111 8.2627  5.063629       11.59925  
1 1 1 5   12  7  f 45.827  2.3738  1140.47    117.418  1287.77    166.976  996.378    165.148  48.655  3.1861  42.737  3.6014  5.918400       4.808434  
1 1 1 5   12  8  o 508.495 8.4878  140184.09  4674.69  141444.00  6611.15  138924.30  6610.88  510.494 11.957  505.917 12.065  4.577545       16.98584  
1 1 1 5   12  9  o 221.176 4.1400  26499.37   991.759  26765.68   1402.55  26233.06   1402.56  222.255 5.8264  220.032 5.8853  2.223709       8.281487  
1 1 1 5   12  10 f 321.908 5.6178  56148.59   1958.72  55311.74   2770.11  56985.36   2769.98  319.412 8.0071  324.213 7.8881  -4.801605      11.23997  
1 1 1 5   12  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   12  12 o 78.754  3.6082  3359.76    307.773  3265.43    433.719  3455.43    436.810  77.454  5.2002  79.694  5.0871  -2.239990      7.274624  
1 1 1 5   12  13 o 422.920 7.7133  97022.58   3533.22  96285.34   5468.33  97550.94   4629.28  420.819 11.997  423.823 10.085  -3.003723      15.67283  
1 1 1 5   12  14 o 269.245 4.7282  39289.35   1378.83  40730.28   1949.84  37848.05   1950.08  274.038 6.5693  264.149 6.8161  9.889099       9.466484  
1 1 1 5   12  15 o 194.975 4.3746  20604.91   923.819  21135.78   1130.88  19540.01   1601.69  197.432 5.2885  189.694 7.7957  7.738220       9.420244  
1 1 1 5   12  16 o 194.172 4.3772  20439.71   920.563  21218.47   1596.22  20051.61   1126.83  197.636 7.4569  192.265 5.4111  5.370712       9.213322  
1 1 1 5   12  17 o 162.086 3.5941  14239.48   630.962  14136.24   853.344  14364.00   937.164  161.440 4.8803  162.712 5.3177  -1.271866      7.217700  
1 1 1 5   12  18 o 234.859 4.2875  29913.22   1090.64  27311.26   1540.53  32527.83   1544.26  224.227 6.3432  244.764 5.8251  -20.53745      8.612122  
1 1 1 5   12  19 o 142.327 3.1946  10979.91   492.472  10412.54   694.042  11555.25   698.904  138.535 4.6255  145.950 4.4212  -7.415405      6.398632  
1 1 1 5   12  20 o 147.710 3.3118  11828.25   529.845  11158.11   745.883  12510.85   752.793  143.381 4.8030  151.839 4.5774  -8.458221      6.634867  
1 1 1 5   12  21 o 175.268 3.7907  16663.33   719.602  17088.67   972.649  16148.99   1069.58  177.377 5.0628  172.360 5.7294  5.016724       7.645770  
1 1 1 5   12  22 o 138.436 4.6891  10410.13   703.081  11217.38   958.015  9467.81    1035.06  143.545 6.1619  131.541 7.2936  12.00392       9.548054  
1 1 1 5   12  23 o 114.246 4.1473  7090.45    513.189  6051.41    703.283  8273.81    750.537  105.162 6.2019  123.251 5.6223  -18.08878      8.370989  
1 1 1 5   12  24 o 200.675 3.8841  21892.96   844.209  20886.97   1191.10  22908.45   1196.71  195.597 5.6223  204.910 5.3921  -9.312759      7.790036  
1 1 1 5   12  25 o 136.085 3.2305  10067.28   476.155  10160.93   670.251  9971.85    676.564  136.466 4.5347  135.171 4.6212  1.295090       6.474469  
1 1 1 5   12  26 o 142.697 3.2507  11085.40   502.410  11339.99   708.214  10827.47   712.838  143.968 4.5418  140.633 4.6799  3.335175       6.521435  
1 1 1 5   12  27 o 103.507 3.1773  5838.50    356.199  5785.25    503.623  5891.80    503.859  102.703 4.5274  103.656 4.4879  -0.9528809     6.374885  
1 1 1 5   12  28 o 71.304  2.6988  2769.32    208.427  2845.98    250.254  2595.75    376.573  72.200  3.2002  68.343  5.1245  3.856392       6.041702  
1 1 1 5   12  29 f 102.182 3.3280  5715.97    368.320  5494.51    508.241  5960.92    534.519  99.646  4.7091  103.767 4.7559  -4.121033      6.692858  
1 1 1 5   12  30 o 35.173  6.2546  720.141    229.545  646.297    312.861  806.239    337.825  32.476  8.7135  36.274  8.7087  -3.798012      12.31935  
1 1 1 5   12  31 o 77.795  3.6121  3341.64    304.355  3094.81    417.968  3620.25    444.062  73.917  5.2550  80.039  5.1497  -6.122246      7.357600  
1 1 1 5   12  32 o 26.129  7.6821  423.762    231.853  423.814    317.326  423.702    339.582  26.268  9.1215  26.387  9.4129  -0.1199551     13.10740  
1 1 1 5   12  33 o 27.179  7.7363  486.815    238.658  484.004    327.743  489.989    348.213  26.571  9.2676  26.673  9.5299  -0.1018391     13.29312  
1 1 1 5   12  34 o 14.044  6.4768  -99.7965   229.076  -33.2203   311.116  -178.6276  338.542  17.069  7.7483  16.157  7.5907  0.9113655      10.84689  
1 1 1 5   12  35 o 21.350  2.2559  254.796    51.375   -506.7321  405.660  267.209    51.792   14.905  7.3158  21.881  2.2160  -6.975663      7.644010  
1 1 1 5   12  36 o 22.624  9.7493  374.278    433.706  374.278    433.706  0.0000     0.0000   22.624  9.7493  ?       ?       0.000000       9.749257  
1 1 1 5   13  0  o 283.143 5.5280  43460.52   1695.28  44450.73   2075.69  41476.67   2938.01  286.282 6.6942  276.301 9.8175  9.980927       11.88257  
1 1 1 5   13  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   13  2  o 275.553 6.9290  41189.69   2067.98  42447.44   2924.97  39932.63   2924.17  279.504 9.6619  271.070 9.9598  8.434052       13.87625  
1 1 1 5   13  3  o 274.044 5.7245  40716.66   1699.13  39382.43   2941.17  41385.01   2081.65  269.196 10.087  276.209 6.9582  -7.013306      12.25454  
1 1 1 5   13  4  o 92.022  2.6560  4586.94    264.724  4604.62    374.452  4569.27    374.302  92.189  3.7501  91.834  3.7631  0.3547821      5.312662  
1 1 1 5   13  5  o 373.943 6.3128  75807.20   2556.79  77058.07   3616.12  74556.69   3615.59  376.822 8.8600  370.643 9.0064  6.179321       12.63393  
1 1 1 5   13  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   13  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   13  8  f 454.719 7.6126  112076.60  3749.29  110903.40  5302.37  113249.70  5302.22  452.126 10.828  456.892 10.715  -4.766113      15.23294  
1 1 1 5   13  9  o 525.970 10.111  150062.30  5759.80  148405.09  7054.47  153376.20  9975.76  522.837 12.457  530.905 17.348  -8.067932      21.35775  
1 1 1 5   13  10 o 85.291  2.5892  3939.99    239.186  3849.40    338.011  4030.85    338.511  84.300  3.7020  86.264  3.6230  -1.964333      5.179884  
1 1 1 5   13  11 o 204.773 4.4176  22716.97   979.780  20975.06   1691.67  23596.24   1201.89  196.684 7.9410  208.681 5.3175  -11.99728      9.556982  
1 1 1 5   13  12 o 382.766 7.4839  79441.92   3102.64  78740.21   3800.39  80844.34   5372.64  380.949 9.2107  385.659 12.862  -4.709778      15.81999  
1 1 1 5   13  13 o 213.180 3.9606  24622.12   914.483  25832.13   1293.56  23413.18   1292.99  218.311 5.4707  207.829 5.7441  10.48167       7.932365  
1 1 1 5   13  14 f 108.194 2.7785  6341.12    325.600  6910.69    462.143  5779.74    458.812  112.935 3.7781  103.277 4.1017  9.658386       5.576556  
1 1 1 5   13  15 o 183.336 5.0017  18223.51   993.205  18192.47   1162.97  18307.16   1909.16  183.141 5.8629  183.220 9.6546  -0.7949829E-01 11.29535  
1 1 1 5   13  16 o 180.665 4.4127  17695.59   863.475  18699.95   1397.74  17075.75   1098.06  185.570 6.9542  177.407 5.7146  8.163544       9.001006  
1 1 1 5   13  17 o 463.816 7.7098  116957.80  3873.12  117718.50  5476.92  116196.90  5477.92  464.422 10.888  461.387 10.962  3.035370       15.45030  
1 1 1 5   13  18 o 406.502 7.3830  89862.18   3250.60  88402.23   4260.58  91895.68   5028.32  402.557 9.7717  409.922 11.325  -7.365784      14.95828  
1 1 1 5   13  19 o 119.687 3.0254  7763.81    392.190  8258.63    555.286  7271.29    553.997  123.398 4.1547  115.776 4.4179  7.622322       6.064610  
1 1 1 5   13  20 o 99.417  2.8667  5356.83    308.686  5448.52    459.713  5281.53    416.566  100.217 4.2352  98.682  3.8974  1.534515       5.755590  
1 1 1 5   13  21 o 259.482 9.4621  36842.88   2659.29  41168.45   3760.81  32517.36   3760.79  273.162 12.711  241.731 14.430  31.43063       19.23015  
1 1 1 5   13  22 o 151.631 4.7721  12491.29   783.735  11038.35   1108.58  13943.13   1108.16  142.066 7.2284  159.997 6.3947  -17.93094      9.650998  
1 1 1 5   13  23 o 101.313 3.1050  5568.58    340.717  5308.61    475.970  5841.79    487.947  98.828  4.4466  103.680 4.3452  -4.852760      6.217140  
1 1 1 5   13  24 o 59.392  2.4841  1913.35    159.796  2213.64    293.529  1786.87    190.500  63.639  4.2834  57.288  3.0815  6.351582       5.276659  
1 1 1 5   13  25 f 44.003  4.4098  1066.50    207.341  822.784    297.073  1297.98    289.522  37.955  7.4924  48.357  5.6333  -10.40216      9.373919  
1 1 1 5   13  26 o 16.195  6.5528  64.814     178.316  286.423    263.999  -121.1131  241.813  23.787  8.3164  15.238  6.8824  8.548787       10.79496  
1 1 1 5   13  27 f 101.526 3.1720  5617.46    348.798  5834.88    493.237  5399.96    493.312  103.167 4.4141  99.199  4.5914  3.968742       6.369097  
1 1 1 5   13  28 o 107.574 3.1894  6317.87    371.608  6188.87    525.559  6446.84    525.507  106.019 4.5769  108.242 4.4824  -2.223442      6.406236  
1 1 1 5   13  29 o 71.840  2.8486  2817.46    221.653  2738.32    261.525  3019.28    417.638  70.701  3.4152  73.483  5.2826  -2.782372      6.290461  
1 1 1 5   13  30 o 51.123  4.5354  1461.93    248.525  1664.41    338.962  1226.56    365.468  54.011  5.8897  45.456  7.6980  8.555519       9.692685  
1 1 1 5   13  31 f 25.387  7.6184  387.331    226.197  247.106    309.392  548.347    331.536  22.861  8.8217  29.690  9.2840  -6.829742      12.80682  
1 1 1 5   13  32 o 24.662  2.4605  336.509    64.846   318.824    66.016   822.250    345.969  23.972  2.5833  35.593  8.9759  -11.62043      9.340284  
1 1 1 5   13  33 o 18.514  3.0425  195.300    58.892   351.552    321.566  189.878    59.905   23.734  9.0342  18.220  3.1496  5.514036       9.567440  
1 1 1 5   13  34 o 15.419  6.9593  -36.0176   246.773  459.068    402.544  -334.0981  312.349  25.375  9.9844  14.133  6.8169  11.24157       12.08961  
1 1 1 5   13  35 o 29.497  9.8665  713.154    370.616  910.182    442.702  251.553    677.611  32.145  10.783  23.372  10.901  8.773052       15.33367  
1 1 1 5   13  36 f 18.700  8.6693  25.242     418.448  25.242     418.448  0.0000     0.0000   18.700  8.6693  ?       ?       0.000000       8.669312  
1 1 1 5   14  0  o 549.494 12.890  164455.00  7671.70  150268.59  10848.92 178643.91  10849.92 523.468 19.135  571.327 17.534  -47.85889      25.95327  
1 1 1 5   14  1  o 324.693 7.9838  57221.41   2807.71  57243.26   3970.82  57199.55   3970.57  324.392 11.302  324.267 11.305  0.1242981      15.98548  
1 1 1 5   14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   14  3  o 177.267 3.5011  17024.63   672.214  16625.48   950.714  17423.68   950.594  175.139 5.0118  179.298 4.8950  -4.158478      7.005662  
1 1 1 5   14  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   14  5  o 481.255 11.429  125830.30  5957.16  123793.10  8425.06  127867.20  8424.33  476.550 16.323  484.380 16.058  -7.829254      22.89711  
1 1 1 5   14  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   14  7  o 625.616 14.665  212700.80  9937.05  203141.09  14053.21 222260.30  14053.01 610.227 21.262  638.500 20.321  -28.27252      29.41127  
1 1 1 5   14  8  o 427.565 7.6919  99092.02   3562.11  100340.10  4666.02  97348.48   5514.89  430.114 10.016  423.510 12.023  6.603821       15.64818  
1 1 1 5   14  9  o 356.306 6.1379  68793.74   2368.73  69249.21   3349.99  68338.32   3349.80  357.376 8.6546  355.015 8.7117  2.361053       12.27990  
1 1 1 5   14  10 o 777.894 21.397  330315.59  18028.15 335473.59  21386.66 317651.41  33511.28 782.738 25.226  753.784 41.202  28.95367       48.31157  
1 1 1 5   14  11 o 285.775 5.8602  44256.78   1813.89  45264.58   3141.47  43752.75   2221.65  288.824 10.042  284.094 7.2201  4.729797       12.36835  
1 1 1 5   14  12 o 429.320 8.3568  99976.55   3885.89  102289.40  4759.77  95354.13   6728.98  434.095 10.124  418.557 14.843  15.53833       17.96671  
1 1 1 5   14  13 o 131.123 2.9550  9313.37    419.669  9539.92    594.843  9088.85    592.170  132.692 4.1389  129.515 4.2214  3.176285       5.911931  
1 1 1 5   14  14 o 252.387 4.4744  34521.63   1223.12  35305.00   1730.06  33738.82   1729.45  255.145 6.2604  249.413 6.4021  5.731674       8.954297  
1 1 1 5   14  15 o 290.371 5.8218  45733.46   1830.97  43830.81   2241.38  49549.96   3174.45  284.140 7.2830  301.820 9.7107  -17.67966      12.13838  
1 1 1 5   14  16 o 540.614 10.425  159258.50  6104.53  166149.80  10573.46 155812.91  7476.46  548.962 17.783  533.848 12.930  15.11407       21.98697  
1 1 1 5   14  17 o 146.349 3.1389  11606.56   497.542  11304.27   703.918  11908.36   703.344  144.380 4.5014  148.193 4.3820  -3.812759      6.282048  
1 1 1 5   14  18 o 411.572 6.9344  92076.45   3091.19  95854.21   4371.27  88297.53   4371.94  419.207 9.6274  402.220 10.036  16.98767       13.90679  
1 1 1 5   14  19 o 529.636 9.6114  153140.20  5513.59  156480.91  7209.86  148434.70  8556.80  533.923 12.467  518.298 15.243  15.62476       19.69205  
1 1 1 5   14  20 f 210.578 5.5348  24086.65   1262.37  24262.79   1471.66  23596.08   2456.00  211.235 6.4323  207.228 10.981  4.006821       12.72666  
1 1 1 5   14  21 o 110.315 4.1698  6603.94    498.222  6642.66    734.184  6570.88    678.312  110.334 6.1683  109.792 5.7239  0.5421524      8.414965  
1 1 1 5   14  22 o 74.556  4.5278  3030.11    363.896  2984.95    517.299  3074.35    511.996  73.730  6.5458  74.861  6.3753  -1.130371      9.137386  
1 1 1 5   14  23 o 128.834 3.2078  9006.27    447.618  9169.79    628.504  8837.96    637.650  129.881 4.4678  127.493 4.6177  2.387978       6.425301  
1 1 1 5   14  24 f 179.183 3.9840  17461.18   773.193  17851.80   1088.79  17063.79   1098.19  180.814 5.5596  176.731 5.7371  4.082809       7.988969  
1 1 1 5   14  25 o 170.143 3.5371  15751.75   651.833  14860.29   918.461  16656.42   925.240  164.824 5.1448  174.584 4.8931  -9.759842      7.100075  
1 1 1 5   14  26 o 64.830  3.4601  2296.40    242.079  2341.03    349.498  2255.24    335.625  65.151  4.9908  63.965  4.8813  1.186577       6.981048  
1 1 1 5   14  27 o 58.487  4.2589  1883.53    267.936  1574.73    438.519  2067.50    338.461  52.344  7.9879  61.062  5.1661  -8.718273      9.512924  
1 1 1 5   14  28 o 24.808  7.2816  354.656    208.462  273.112    310.162  421.841    281.533  24.037  8.9314  27.143  8.5656  -3.105440      12.37491  
1 1 1 5   14  29 o 33.316  2.0439  605.864    73.397   611.133    75.315   506.349    327.290  33.455  2.0889  29.279  9.2350  4.176683       9.468337  
1 1 1 5   14  30 o 47.688  4.7604  1277.80    242.591  1238.24    331.478  1323.43    355.982  46.074  6.8509  47.522  7.1366  -1.447884      9.892733  
1 1 1 5   14  31 o 48.747  2.3555  1297.64    124.366  1373.82    340.623  1285.92    133.589  48.407  6.6742  48.425  2.5560  -0.1835251E-01 7.146951  
1 1 1 5   14  32 o 46.241  2.4418  1175.00    121.860  1084.03    344.996  1187.97    130.256  41.706  7.9272  46.452  2.5994  -4.745998      8.342494  
1 1 1 5   14  33 o 14.206  6.4932  -85.6181   223.286  212.964    302.815  -441.4066  330.554  20.880  8.5058  14.011  6.8177  6.868670       10.90096  
1 1 1 5   14  34 o 16.484  7.4215  -17.7213   278.614  -181.2284  490.342  60.237     338.580  19.078  9.0156  18.772  8.3347  0.3060913      12.27798  
1 1 1 5   14  35 o 20.116  8.7351  185.450    353.550  347.664    418.384  -219.6954  661.203  22.851  9.7044  20.332  9.8340  2.519392       13.81605  
1 1 1 5   14  36 o 23.098  9.8260  410.561    430.268  410.561    430.268  0.0000     0.0000   23.098  9.8260  ?       ?       0.000000       9.826005  
1 1 1 5   15  0  o 350.241 8.4639  66599.32   3210.74  73209.45   4541.34  59993.05   4540.02  366.831 11.430  331.905 12.629  34.92636       17.03352  
1 1 1 5   15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   15  2  o 139.947 4.6848  10614.24   710.112  10941.53   1098.24  10379.11   930.883  141.836 7.1722  138.348 6.2123  3.487350       9.488580  
1 1 1 5   15  3  o 277.553 5.6000  41760.84   1683.46  43925.46   2918.50  40681.48   2060.88  284.390 9.4749  273.869 6.9477  10.52118       11.74922  
1 1 1 5   15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   15  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   15  6  o 564.377 13.275  173052.00  8114.96  159662.59  11476.29 186441.50  11476.29 541.083 19.582  584.995 18.113  -43.91205      26.67463  
1 1 1 5   15  7  o 767.362 17.870  320492.91  14852.53 297244.41  21004.57 343741.81  21004.74 736.855 26.319  792.979 24.456  -56.12335      35.92716  
1 1 1 5   15  8  o 209.707 3.9654  23821.68   900.690  22952.60   1273.83  24690.58   1273.70  205.820 5.7142  213.474 5.5088  -7.653992      7.937161  
1 1 1 5   15  9  o 321.284 6.4673  55938.95   2250.52  55830.98   2756.79  56154.68   3896.68  320.919 7.9312  321.685 11.184  -0.7662354     13.71072  
1 1 1 5   15  10 o 551.721 9.1757  165090.80  5483.14  168009.41  7754.62  162172.70  7754.03  556.177 12.873  546.402 13.102  9.774841       18.36793  
1 1 1 5   15  11 o 407.257 7.8651  89931.09   3469.33  91416.97   6008.42  89187.91   4249.26  410.117 13.526  405.444 9.6764  4.673431       16.63116  
1 1 1 5   15  12 o 669.219 12.689  243458.59  9197.13  254008.30  11264.61 222364.30  15928.56 682.995 15.227  636.786 23.095  46.20905       27.66301  
1 1 1 5   15  13 o 27.879  4.2012  430.578    122.922  539.554    180.572  336.466    167.805  31.080  5.5686  24.453  6.2976  6.627546       8.406529  
1 1 1 5   15  14 o 254.378 4.5603  35070.16   1256.44  36534.88   1777.29  33606.83   1776.45  259.542 6.3224  248.908 6.5894  10.63367       9.131945  
1 1 1 5   15  15 o 564.345 11.881  173639.59  7262.25  162512.50  9483.45  189416.91  11292.55 544.448 16.082  587.004 17.762  -42.55548      23.96043  
1 1 1 5   15  16 o 267.985 6.1822  38978.15   1794.41  41450.68   4052.35  38375.10   2001.31  275.191 13.596  265.827 6.9510  9.365051       15.26955  
1 1 1 5   15  17 o 303.119 5.2723  49852.42   1730.96  48214.80   2446.71  51493.35   2449.18  297.798 7.5856  307.794 7.3467  -9.995667      10.56007  
1 1 1 5   15  18 o 71.699  3.0236  2785.95    234.804  2894.72    333.344  2678.84    330.798  72.937  4.2379  70.143  4.3760  2.793343       6.091743  
1 1 1 5   15  19 o 138.714 3.2407  10430.01   486.893  10085.77   705.844  10742.50   672.506  136.332 4.7802  140.721 4.4123  -4.389587      6.505253  
1 1 1 5   15  20 o 192.266 5.3873  20076.98   1121.88  18453.86   1585.86  21703.04   1587.29  184.016 7.9568  199.653 7.3402  -15.63680      10.82541  
1 1 1 5   15  21 o 296.519 7.4611  47932.43   2396.22  45740.27   3388.15  50126.22   3389.40  288.601 10.839  302.305 10.352  -13.70441      14.98806  
1 1 1 5   15  22 o 75.514  3.2454  3092.87    265.439  3001.66    368.080  3191.69    383.148  74.193  4.6032  76.510  4.6456  -2.316681      6.539927  
1 1 1 5   15  23 o 116.238 3.1158  7330.67    392.268  7431.82    549.456  7225.53    560.202  116.935 4.3383  115.286 4.4864  1.648811       6.240895  
1 1 1 5   15  24 o 170.483 3.6206  15796.33   668.551  15828.18   986.688  15769.29   909.027  170.295 5.3494  170.076 4.9347  0.2185974      7.277914  
1 1 1 5   15  25 o 97.015  3.0472  5115.41    320.191  5131.37    447.758  5098.71    458.054  97.001  4.2619  96.673  4.3746  0.3273621      6.107440  
1 1 1 5   15  26 o 129.351 3.1909  9108.91    447.047  9463.20    636.055  8763.04    628.455  131.512 4.4654  126.518 4.5862  4.994087       6.400995  
1 1 1 5   15  27 o 80.616  3.2674  3543.86    285.296  3813.47    402.107  3270.57    404.847  83.261  4.4754  76.973  4.8813  6.287811       6.622397  
1 1 1 5   15  28 o 20.682  7.0589  225.325    189.739  320.710    259.922  116.513    277.613  24.339  8.2621  20.174  8.1716  4.165121       11.62056  
1 1 1 5   15  29 o 53.133  4.3219  1567.44    246.562  1241.71    338.224  1936.85    360.194  46.326  6.9556  58.577  5.7514  -12.25087      9.025471  
1 1 1 5   15  30 f 27.577  1.5331  414.323    45.610   407.443    62.194   422.328    67.088   27.271  2.1223  27.748  2.2517  -0.4767952     3.094254  
1 1 1 5   15  31 o 17.754  7.2242  96.193     218.110  124.144    296.157  63.065     322.423  20.284  8.3544  19.915  8.4896  0.3697891      11.91090  
1 1 1 5   15  32 o 14.677  6.6027  -67.0781   219.987  -107.6762  299.708  -19.6558   323.919  16.647  7.5754  18.414  8.1651  -1.766573      11.13805  
1 1 1 5   15  33 o 32.925  1.3997  590.574    49.917   598.181    50.444   232.455    346.115  33.135  1.4055  21.777  9.0064  11.35876       9.115381  
1 1 1 5   15  34 o 15.046  6.9135  -85.9549   257.714  172.110    398.135  -272.0629  338.103  21.085  9.2109  15.284  7.2976  5.801665       11.75142  
1 1 1 5   15  35 o 19.852  8.6872  165.211    355.541  35.844     414.690  524.160    690.761  19.169  8.7938  25.397  11.535  -6.227913      14.50498  
1 1 1 5   15  36 o 19.127  8.7859  73.663     415.781  73.663     415.781  0.0000     0.0000   19.127  8.7859  ?       ?       0.000000       8.785944  
1 1 1 5   16  0  o 305.125 5.3861  50469.16   1779.99  49700.19   2517.26  51238.17   2517.32  302.636 7.6796  307.292 7.5634  -4.656158      10.77874  
1 1 1 5   16  1  o 268.651 6.7941  39146.75   1976.93  39890.90   2796.11  38402.92   2795.50  270.987 9.5265  265.870 9.7078  5.117767       13.60132  
1 1 1 5   16  2  o 437.619 10.457  104087.00  4956.37  103953.90  7009.60  104220.10  7009.13  436.547 14.825  437.110 14.805  -0.5628662     20.95138  
1 1 1 5   16  3  o 214.632 4.7209  24964.32   1097.46  23582.68   1903.25  25652.53   1343.27  208.456 8.4297  217.537 5.7011  -9.081116      10.17654  
1 1 1 5   16  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   16  5  o 136.626 3.0340  10110.84   448.971  9600.79    635.245  10619.92   634.636  133.120 4.4058  140.011 4.1850  -6.890045      6.076620  
1 1 1 5   16  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   16  7  o 454.981 7.6571  112206.40  3773.36  110996.20  5336.43  113416.50  5336.25  452.313 10.893  457.227 10.775  -4.913727      15.32201  
1 1 1 5   16  8  o 386.097 6.6032  80783.91   2761.33  81432.67   3905.33  80135.29   3904.88  387.515 9.3046  384.412 9.3787  3.103424       13.21119  
1 1 1 5   16  9  o 545.183 9.1069  161182.50  5377.56  156713.80  7604.98  165651.30  7605.05  537.184 13.071  552.331 12.713  -15.14746      18.23338  
1 1 1 5   16  10 o 61.604  2.5358  2055.44    169.198  2163.97    246.920  1959.36    232.311  63.101  3.6281  60.036  3.5891  3.065178       5.103401  
1 1 1 5   16  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   16  12 f 712.896 11.644  276138.00  8990.53  284332.69  12714.59 267943.59  12714.46 722.268 16.253  701.005 16.746  21.26300       23.33629  
1 1 1 5   16  13 o 251.734 4.5606  34340.29   1243.46  34906.09   1759.09  33775.24   1757.93  253.721 6.4012  249.572 6.5033  4.148804       9.125193  
1 1 1 5   16  14 o 106.599 2.8128  6155.74    324.764  6557.87    461.249  5760.39    457.348  110.011 3.8711  103.102 4.0955  6.909294       5.635480  
1 1 1 5   16  15 o 201.010 4.4410  21902.68   966.876  21984.00   1183.15  21739.19   1677.60  201.335 5.4256  200.062 7.7420  1.273453       9.453885  
1 1 1 5   16  16 o 127.392 3.5209  8795.05    485.804  8573.76    844.194  8904.62    594.018  125.683 6.2015  128.161 4.2793  -2.477646      7.534655  
1 1 1 5   16  17 o 171.290 3.5245  15902.87   653.880  15246.67   924.143  16560.72   925.309  167.641 5.0897  174.727 4.8894  -7.086929      7.057695  
1 1 1 5   16  18 o 168.544 3.4983  15398.78   638.624  14623.18   902.895  16175.26   903.406  164.156 5.0782  172.665 4.8307  -8.508759      7.008840  
1 1 1 5   16  19 o 164.149 4.8911  14623.17   869.589  12886.91   1228.51  16366.64   1231.06  153.889 7.3706  173.513 6.5505  -19.62422      9.860788  
1 1 1 5   16  20 o 123.195 4.3882  8235.14    585.529  8134.76    828.423  8335.34    827.704  122.158 6.2825  123.825 6.1716  -1.666840      8.806714  
1 1 1 5   16  21 o 299.812 5.7402  48872.21   1864.00  50539.88   2456.10  46606.95   2862.53  304.473 7.4478  291.923 9.0534  12.54974       11.72319  
1 1 1 5   16  22 o 77.393  2.7062  3247.25    226.846  3494.54    282.607  2799.28    380.362  80.266  3.2507  71.598  4.9350  8.668655       5.909436  
1 1 1 5   16  23 o 84.811  3.1544  3902.97    289.757  3850.67    402.888  3959.01    417.035  84.044  4.4417  85.209  4.5350  -1.165428      6.347879  
1 1 1 5   16  24 o 173.638 3.6814  16389.89   692.350  16221.02   1023.80  16532.20   939.843  172.345 5.4846  174.117 4.9836  -1.772095      7.410631  
1 1 1 5   16  25 f 131.136 3.1904  9350.30    453.145  9894.92    637.001  8792.32    644.758  134.666 4.3673  126.868 4.6922  7.797661       6.410139  
1 1 1 5   16  26 o 91.931  3.1139  4600.22    310.056  4755.93    443.563  4451.44    433.577  93.240  4.3922  90.196  4.4382  3.043686       6.244120  
1 1 1 5   16  27 o 24.130  6.9491  333.085    191.475  433.569    261.208  216.380    281.504  27.461  8.1746  22.397  8.4700  5.064114       11.77136  
1 1 1 5   16  28 o 80.385  3.2406  3529.43    282.143  3690.88    391.548  3355.06    406.918  81.785  4.4368  77.822  4.8518  3.962616       6.574546  
1 1 1 5   16  29 o 77.200  2.7875  3253.32    233.081  3029.09    403.139  3365.91    285.667  73.657  5.0844  78.383  3.3649  -4.726433      6.096994  
1 1 1 5   16  30 f 26.530  1.8051  384.506    51.562   384.186    52.241   396.586    320.969  26.516  1.8302  26.397  9.1733  0.1193352      9.354083  
1 1 1 5   16  31 o 19.064  1.8612  199.716    37.940   394.896    301.649  196.579    38.244   25.933  8.8997  18.908  1.8929  7.025290       9.098742  
1 1 1 5   16  32 o 37.978  2.3857  793.384    97.633   898.101    331.868  783.462    102.154  37.499  8.3818  37.706  2.5158  -0.2076187     8.751200  
1 1 1 5   16  33 o 16.808  2.0550  157.189    36.632   250.468    314.183  155.903    36.883   21.664  8.7218  16.733  2.0800  4.931114       8.966406  
1 1 1 5   16  34 o 19.073  1.5763  200.099    32.271   127.593    406.085  200.560    32.373   20.616  9.1419  19.094  1.5795  1.521582       9.277369  
1 1 1 5   16  35 o 24.274  9.5052  449.300    363.277  187.809    425.029  1158.21    699.818  20.880  9.3008  31.499  12.893  -10.61890      15.89722  
1 1 1 5   16  36 o 18.976  8.6561  85.075     394.330  85.075     394.330  0.0000     0.0000   18.976  8.6561  ?       ?       0.000000       8.656110  
1 1 1 5   17  0  o 157.299 2.9375  13403.54   500.472  13776.10   707.911  13031.28   707.636  159.449 4.0991  155.076 4.2130  4.372742       5.878109  
1 1 1 5   17  1  o 599.085 20.069  196924.20  13022.52 0.0000     0.0000   196924.20  13022.52 ?       ?       599.085 20.069  0.000000       20.06948  
1 1 1 5   17  2  o 156.213 4.5813  13223.69   775.129  14179.52   1097.14  12271.11   1095.26  161.715 6.2638  150.425 6.7224  11.28932       9.188405  
1 1 1 5   17  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   17  4  f 361.826 6.1663  70961.95   2416.55  73150.46   4836.39  70233.77   2789.76  366.889 12.171  359.909 7.1566  6.980957       14.11887  
1 1 1 5   17  5  o 173.350 3.4878  16277.61   654.854  16426.11   926.520  16129.38   925.688  174.119 4.9129  172.538 4.9535  1.580536       6.976631  
1 1 1 5   17  6  o 127.843 2.9190  8852.31    404.183  9311.12    572.855  8397.50    570.356  131.106 4.0341  124.506 4.2295  6.599884       5.844879  
1 1 1 5   17  7  o 268.793 4.8058  39140.82   1399.12  39169.44   1978.88  39112.21   1978.42  268.844 6.7959  268.648 6.7993  0.1965637      9.613286  
1 1 1 5   17  8  o 588.315 12.262  187878.59  7813.46  198414.70  12144.89 180437.91  10206.08 603.673 18.575  576.023 16.359  27.65039       24.75129  
1 1 1 5   17  9  o 251.197 4.5785  34183.91   1245.68  32908.29   1761.63  35459.60   1761.68  246.419 6.6004  255.800 6.3585  -9.380585      9.164927  
1 1 1 5   17  10 o 501.794 9.6058  136590.59  5220.71  133652.80  9040.89  138060.30  6394.62  495.505 16.846  504.281 11.708  -8.775238      20.51471  
1 1 1 5   17  11 o 180.473 3.9973  17644.44   781.356  19075.81   960.204  14838.83   1344.31  187.638 4.7247  165.435 7.5024  22.20317       8.866189  
1 1 1 5   17  12 o 294.772 5.1688  47087.50   1650.23  47063.17   2333.77  47111.83   2333.79  294.596 7.3141  294.749 7.3104  -0.1524658     10.34107  
1 1 1 5   17  13 o 353.670 6.0619  67817.86   2322.09  65860.91   3283.60  69775.61   3284.27  348.314 8.7038  358.540 8.4573  -10.22635      12.13596  
1 1 1 5   17  14 o 538.050 8.8260  157265.91  5143.47  161338.00  7273.95  153193.80  7273.98  544.166 12.342  530.167 12.667  13.99823       17.68550  
1 1 1 5   17  15 o 61.667  3.3913  2066.84    225.638  1954.94    271.140  2318.87    406.919  59.909  4.2053  65.121  5.8309  -5.212429      7.189166  
1 1 1 5   17  16 o 130.917 3.5160  9288.59    498.550  10450.04   867.262  8715.35    609.284  138.774 5.7699  126.785 4.4369  11.98923       7.278635  
1 1 1 5   17  17 o 151.011 3.2984  12359.18   539.487  12350.66   762.777  12367.70   763.124  150.901 4.6670  151.005 4.6659  -0.1041718     6.599310  
1 1 1 5   17  18 o 308.263 7.0074  51663.45   2339.63  51225.67   2598.00  53541.87   5381.52  306.807 7.8181  310.864 16.038  -4.056793      17.84199  
1 1 1 5   17  19 o 272.553 6.9441  40403.36   2049.92  39972.82   2898.30  40834.32   2899.75  270.498 9.8926  273.422 9.7917  -2.923492      13.91905  
1 1 1 5   17  20 o 118.654 4.3438  7639.09    558.242  8405.13    790.329  6876.35    788.622  124.363 5.8674  112.254 6.5143  12.10925       8.767164  
1 1 1 5   17  21 o 219.481 4.1573  26142.50   988.282  27176.05   1400.75  25118.08   1394.55  223.558 5.7850  214.895 5.9915  8.663071       8.328521  
1 1 1 5   17  22 o 147.101 3.4611  11739.64   551.439  12016.78   806.014  11495.77   756.083  148.680 5.0052  145.443 4.7996  3.236832       6.934552  
1 1 1 5   17  23 o 298.125 5.3060  48406.23   1713.33  48442.93   2422.14  48369.47   2423.89  297.392 7.5197  297.161 7.5310  0.2306213      10.64242  
1 1 1 5   17  24 o 185.261 3.7419  18661.62   750.832  18708.34   1058.30  18614.27   1065.41  185.126 5.2780  184.646 5.3273  0.4797516      7.499160  
1 1 1 5   17  25 o 136.182 3.2103  10085.04   473.511  9798.69    663.489  10382.28   675.977  133.950 4.5732  137.893 4.5261  -3.942978      6.434254  
1 1 1 5   17  26 o 93.729  3.1599  4782.96    320.786  4544.60    438.964  5056.16    469.940  91.126  4.4475  96.103  4.5148  -4.976723      6.337437  
1 1 1 5   17  27 o 29.113  6.2926  488.253    192.635  342.749    251.495  694.797    299.641  24.923  8.1187  34.411  8.1628  -9.488026      11.51283  
1 1 1 5   17  28 o 95.543  2.9277  4978.55    302.962  4919.01    456.641  5025.36    404.915  94.531  4.4599  95.729  3.9053  -1.197319      5.928097  
1 1 1 5   17  29 o 32.668  6.4878  621.915    221.464  472.346    300.941  798.601    327.086  28.301  8.8446  36.421  8.4543  -8.120546      12.23524  
1 1 1 5   17  30 o 26.292  1.4987  376.660    42.501   147.889    295.900  381.479    42.946   20.870  8.4424  26.460  1.5048  -5.589838      8.575428  
1 1 1 5   17  31 o 65.847  2.8354  2377.21    202.219  2154.21    233.096  3055.63    406.567  62.405  3.4622  73.474  5.1413  -11.06937      6.198374  
1 1 1 5   17  32 o 44.884  5.2045  1166.75    248.316  1157.06    339.023  1177.97    364.729  43.269  7.5062  43.254  8.0825  0.1472092E-01  11.03040  
1 1 1 5   17  33 o 27.583  1.5968  416.635    47.501   350.812    309.814  418.220    48.069   23.530  8.8887  27.632  1.6131  -4.102739      9.033940  
1 1 1 5   17  34 o 32.800  9.6288  816.574    364.495  801.731    434.784  851.672    668.606  31.237  10.685  29.945  12.462  1.291910       16.41574  
1 1 1 5   17  35 o 18.951  8.3592  120.699    335.150  312.235    388.997  -431.0450  660.221  22.131  9.3756  19.197  9.4042  2.933905       13.27935  
1 1 1 5   17  36 o 21.474  8.8481  318.376    332.365  615.782    384.280  -564.6619  662.161  26.550  9.9263  18.196  9.0093  8.353621       13.40513  
1 1 1 5   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   18  1  o 355.622 12.262  68799.84   4722.90  68799.84   4722.90  0.0000     0.0000   355.622 12.262  ?       ?       0.000000       12.26170  
1 1 1 5   18  2  o 255.783 6.5144  35473.99   1804.75  32053.48   2552.03  38895.90   2552.56  242.961 9.6980  267.703 8.8035  -24.74185      13.09775  
1 1 1 5   18  3  o 253.982 4.5166  34951.73   1242.46  35319.34   2488.07  34829.61   1434.07  255.120 9.0042  253.516 5.2227  1.604156       10.40927  
1 1 1 5   18  4  o 387.302 6.5606  81309.02   2752.11  82206.23   5507.52  81010.43   3177.23  388.904 13.075  386.530 7.5892  2.373077       15.11796  
1 1 1 5   18  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   18  6  o 420.880 7.1588  96007.91   3263.38  93316.29   4615.18  98699.38   4615.05  414.762 10.274  426.577 9.9887  -11.81467      14.32898  
1 1 1 5   18  7  o 310.494 5.4857  52232.78   1844.84  49897.05   2609.05  54568.30   2608.94  303.397 7.9397  317.294 7.5916  -13.89691      10.98500  
1 1 1 5   18  8  o 534.630 8.9130  154985.41  5161.18  157380.30  7299.21  152590.91  7298.81  538.417 12.517  530.141 12.711  8.276367       17.83936  
1 1 1 5   18  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   18  10 o 785.325 18.206  336051.00  15486.01 0.0000     0.0000   336051.00  15486.01 ?       ?       785.325 18.206  0.000000       18.20623  
1 1 1 5   18  11 o 607.037 13.020  200276.09  8560.47  203491.50  11185.73 195730.70  13299.46 611.142 16.899  598.521 20.516  12.62042       26.57922  
1 1 1 5   18  12 o 478.944 8.6283  124468.40  4475.90  128367.60  5857.58  118997.30  6938.58  486.074 11.126  467.606 13.700  18.46811       17.64884  
1 1 1 5   18  13 o 482.231 7.9433  126197.00  4148.82  128630.80  5867.29  123763.20  5867.35  486.373 11.138  477.044 11.356  9.329498       15.90601  
1 1 1 5   18  14 o 183.309 3.7923  18208.23   752.937  19084.17   1011.93  17121.84   1126.95  187.627 4.9795  177.684 5.8558  9.942688       7.686762  
1 1 1 5   18  15 o 549.226 10.392  164268.30  6181.94  157878.59  7570.60  177054.80  10709.43 537.597 13.002  567.362 17.428  -29.76410      21.74318  
1 1 1 5   18  16 o 533.055 10.249  154860.09  5917.37  166062.41  10249.54 149259.50  7247.14  548.833 17.242  522.401 12.808  26.43201       21.47903  
1 1 1 5   18  17 o 210.557 4.0197  24036.93   916.709  23283.49   1296.02  24791.32   1296.82  207.104 5.7777  213.720 5.6023  -6.615967      8.047808  
1 1 1 5   18  18 o 288.058 8.3858  45191.30   2616.33  44130.02   4599.98  45698.80   3180.97  282.501 15.088  289.292 10.152  -6.791199      18.18571  
1 1 1 5   18  19 o 250.000 6.4880  33975.77   1756.78  34607.75   2484.11  33343.44   2484.82  251.851 9.1066  247.172 9.2816  4.678925       13.00305  
1 1 1 5   18  20 o 100.108 2.9944  5432.21    324.669  5818.75    459.542  5046.97    458.763  103.566 4.0967  96.441  4.3919  7.125053       6.006010  
1 1 1 5   18  21 o 164.697 3.4967  14711.65   623.760  15383.76   886.489  14052.61   877.833  168.299 4.8632  160.835 5.0392  7.463272       7.003144  
1 1 1 5   18  22 o 179.630 3.6702  17510.44   714.065  17161.08   1009.62  17860.11   1010.06  177.637 5.2475  181.234 5.1456  -3.596481      7.349417  
1 1 1 5   18  23 o 208.794 4.0383  23688.78   913.252  24856.81   1291.28  22519.83   1291.79  213.552 5.5827  203.197 5.8696  10.35533       8.100513  
1 1 1 5   18  24 o 88.593  3.0201  4261.91    289.791  4154.53    401.894  4378.19    418.249  87.356  4.2476  89.670  4.3064  -2.314003      6.048793  
1 1 1 5   18  25 o 209.082 4.0852  23837.58   925.136  22035.67   1387.72  25279.04   1241.19  200.027 6.4054  214.792 5.3352  -14.76527      8.336244  
1 1 1 5   18  26 o 83.484  3.2172  3795.62    290.909  3560.56    394.222  4076.66    431.056  80.512  4.5393  86.141  4.6372  -5.628700      6.489134  
1 1 1 5   18  27 o 81.828  3.2387  3651.89    287.044  3317.09    389.109  4051.60    425.167  77.565  4.6532  85.768  4.5935  -8.203773      6.538502  
1 1 1 5   18  28 o 127.360 3.2300  8861.01    445.566  8656.03    625.028  9072.81    635.350  125.319 4.6048  128.317 4.5715  -2.997673      6.488664  
1 1 1 5   18  29 o 59.952  3.7759  1982.96    243.933  1693.79    320.586  2380.59    375.932  54.826  5.4718  65.120  5.3781  -10.29432      7.672303  
1 1 1 5   18  30 f 13.140  6.0850  -152.2753  205.321  53.400     277.655  -400.4644  305.004  18.732  7.9275  14.174  6.8111  4.558220       10.45166  
1 1 1 5   18  31 o 20.327  3.8303  235.937    81.238   175.450    83.624   1251.03    342.569  17.405  4.4259  45.862  7.1279  -28.45724      8.390169  
1 1 1 5   18  32 o 11.080  3.2968  69.066     42.492   327.517    300.545  63.794     42.923   23.779  8.8004  10.736  3.3378  13.04253       9.412117  
1 1 1 5   18  33 o 18.706  7.4616  167.398    227.681  68.579     307.981  286.491    338.103  18.575  8.1081  22.515  9.0536  -3.939911      12.15361  
1 1 1 5   18  34 o 18.604  8.2290  69.044     327.010  92.705     379.944  1.4278     642.274  19.789  8.8057  22.221  10.445  -2.431995      13.66120  
1 1 1 5   18  35 o 24.078  9.1813  438.546    332.487  397.274    383.282  564.040    668.343  23.348  9.5470  25.571  11.505  -2.223156      14.95065  
1 1 1 5   18  36 o 18.108  3.3559  192.341    63.394   557.880    461.606  185.314    64.001   25.046  10.383  17.727  3.4575  7.319118       10.94376  
1 1 1 5   19  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   19  1  o 132.066 3.0674  9447.99    438.770  9441.83    620.732  9454.15    620.297  132.006 4.3415  132.092 4.3356  -0.8619690E-01 6.135665  
1 1 1 5   19  2  o 346.369 8.4504  65089.57   3170.18  64599.27   4483.57  65579.75   4483.04  344.741 12.008  347.357 11.916  -2.616150      16.91669  
1 1 1 5   19  3  o 497.460 11.714  134433.59  6311.37  143273.80  8926.31  125596.10  8924.95  512.854 16.070  479.976 17.168  32.87796       23.51535  
1 1 1 5   19  4  f 307.703 5.5014  51305.05   1833.47  47127.85   3670.02  52694.34   2116.52  294.620 11.501  311.815 6.2669  -17.19482      13.09762  
1 1 1 5   19  5  o 245.927 4.4501  32764.04   1185.35  33339.14   2374.94  32573.25   1367.92  247.956 8.8432  245.197 5.1508  2.759003       10.23389  
1 1 1 5   19  6  f 364.163 7.2936  71875.62   2876.78  64859.63   4984.50  75379.88   3522.69  345.608 13.316  372.870 8.7226  -27.26147      15.91836  
1 1 1 5   19  7  o 714.047 16.630  277276.50  12861.79 283773.69  18190.01 270780.19  18188.64 720.916 23.296  704.080 23.851  16.83685       33.34021  
1 1 1 5   19  8  o 120.791 2.8812  7902.52    376.951  7419.56    533.346  8384.57    532.833  117.033 4.2076  124.413 3.9542  -7.380318      5.774003  
1 1 1 5   19  9  o 591.000 9.8949  189471.30  6333.85  192923.09  8957.78  186020.00  8957.05  595.878 13.879  585.084 14.134  10.79358       19.80960  
1 1 1 5   19  10 o 367.280 7.2247  73124.66   2874.00  74914.41   4975.50  72228.48   3520.77  371.393 12.369  364.928 8.9076  6.464447       15.24258  
1 1 1 5   19  11 o 287.090 5.8623  44668.73   1822.87  45191.98   2233.42  43624.68   3154.87  288.714 7.1422  283.495 10.275  5.219574       12.51314  
1 1 1 5   19  12 o 326.364 5.5203  57730.71   1951.35  58553.98   2759.35  56907.10   2759.91  328.550 7.7542  323.889 7.8674  4.661133       11.04637  
1 1 1 5   19  13 o 556.018 9.8739  167977.91  5946.33  178947.09  7773.79  152508.70  9231.66  573.311 12.519  528.346 16.132  44.96576       20.41990  
1 1 1 5   19  14 o 325.284 6.1023  57392.31   2149.93  58923.76   3310.35  56275.15   2827.36  329.252 9.2827  321.907 8.1093  7.345337       12.32595  
1 1 1 5   19  15 o 135.392 3.2226  9932.70    472.581  9973.14    650.492  9887.49    687.723  135.635 4.4279  135.042 4.7019  0.5925903      6.458673  
1 1 1 5   19  16 o 141.877 3.6937  10910.06   567.605  11727.07   985.228  10504.17   694.429  146.982 6.1887  139.180 4.6066  7.801666       7.715006  
1 1 1 5   19  17 o 301.780 8.6772  49587.43   2836.23  50596.07   3439.16  47443.00   5014.66  304.468 10.429  292.930 15.865  11.53809       18.98546  
1 1 1 5   19  18 o 440.099 10.590  105850.40  5048.04  109431.10  7138.68  102269.10  7139.33  445.566 14.792  430.469 15.312  15.09717       21.29048  
1 1 1 5   19  19 o 55.061  1.8956  1642.36    113.047  1303.28    160.994  1972.16    158.773  48.941  3.0524  60.330  2.4298  -11.38911      3.901405  
1 1 1 5   19  20 o 82.942  2.6904  3728.40    241.690  3199.80    310.540  4540.52    384.916  76.811  3.7327  91.493  3.8843  -14.68205      5.387064  
1 1 1 5   19  21 o 275.305 5.2403  41185.66   1562.58  41554.39   2393.25  40911.66   2062.99  275.909 8.0085  274.034 6.9506  1.874878       10.60411  
1 1 1 5   19  22 o 80.449  3.0624  3510.10    266.838  3101.34    371.733  3944.62    383.262  75.414  4.5726  85.231  4.1517  -9.816292      6.176223  
1 1 1 5   19  23 o 238.651 4.4277  30972.50   1144.50  30504.06   1619.25  31440.15   1617.88  236.328 6.3260  239.959 6.2250  -3.630859      8.875166  
1 1 1 5   19  24 o 26.005  6.2266  385.183    173.054  456.956    248.874  317.992    240.797  28.354  7.8408  24.397  7.9440  3.956858       11.16177  
1 1 1 5   19  25 o 122.811 3.1170  8201.74    414.609  8243.32    582.944  8159.18    589.807  122.875 4.3802  122.229 4.4552  0.6458511      6.247767  
1 1 1 5   19  26 o 118.457 3.1060  7639.53    398.501  7316.14    563.373  7963.36    563.758  115.587 4.5000  120.646 4.3143  -5.058167      6.234059  
1 1 1 5   19  27 o 95.546  3.1724  4978.01    328.297  4140.38    448.532  5944.57    481.817  86.628  4.7991  104.119 4.2725  -17.49149      6.425410  
1 1 1 5   19  28 o 91.157  3.2183  4539.62    317.752  4447.92    438.033  4641.47    461.634  89.745  4.5209  91.623  4.6673  -1.878326      6.497838  
1 1 1 5   19  29 o 10.843  2.9746  66.280     35.987   292.799    247.046  61.369     36.375   23.264  8.0500  10.484  3.0315  12.77983       8.601871  
1 1 1 5   19  30 o 21.906  7.5030  264.741    214.374  248.846    291.477  283.470    316.394  22.741  8.6143  23.864  8.9902  -1.123159      12.45111  
1 1 1 5   19  31 o 20.852  2.6736  241.898    58.991   554.367    303.584  229.637    60.137   29.774  8.8009  20.279  2.8138  9.495495       9.239790  
1 1 1 5   19  32 o 12.230  2.8362  85.697     36.841   91.340     37.093   -324.6920  316.326  12.637  2.7851  14.809  7.0676  -2.171843      7.596538  
1 1 1 5   19  33 o 16.721  7.1771  59.902     233.284  -147.8752  326.404  276.862    333.539  16.355  7.6077  22.281  8.9808  -5.925877      11.76996  
1 1 1 5   19  34 o 33.125  10.032  856.975    390.925  721.079    470.642  1159.35    702.042  29.334  10.982  33.287  13.158  -3.952703      17.13815  
1 1 1 5   19  35 o 27.079  9.0787  572.536    313.802  506.716    388.321  696.412    532.728  25.117  9.8295  27.248  11.212  -2.131592      14.91042  
1 1 1 5   19  36 o 17.956  8.0290  86.227     320.033  111.055    363.934  1.5415     672.138  18.876  8.4918  20.994  10.094  -2.118341      13.19095  
1 1 1 5   20  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   20  1  o 69.342  2.6801  2604.42    201.290  2642.58    249.168  2532.73    341.523  69.845  3.2937  68.210  4.6505  1.634659       5.698728  
1 1 1 5   20  2  o 408.653 9.8090  90638.09   4341.59  90076.61   6140.21  91199.48   6139.66  406.928 13.931  409.468 13.844  -2.539917      19.64013  
1 1 1 5   20  3  o 529.457 12.498  152295.00  7167.00  149968.20  10135.82 154621.59  10135.53 524.532 17.841  532.660 17.568  -8.128052      25.03874  
1 1 1 5   20  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   20  5  o 488.127 8.3303  129176.10  4404.19  119995.60  8811.06  132233.80  5085.00  469.605 17.323  493.788 9.5078  -24.18271      19.76075  
1 1 1 5   20  6  o 81.213  2.3793  3572.16    209.292  3494.53    429.929  3596.27    239.599  80.160  4.9764  81.486  2.7148  -1.325790      5.668774  
1 1 1 5   20  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   20  8  o 239.087 4.3414  30965.91   1124.22  29553.15   1589.97  32378.38   1589.81  233.530 6.2860  244.445 6.0047  -10.91464      8.693160  
1 1 1 5   20  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   20  10 o 226.763 5.9456  27866.59   1460.28  27227.63   2065.33  28505.33   2064.96  224.068 8.5102  229.272 8.3155  -5.204376      11.89837  
1 1 1 5   20  11 o 605.513 11.931  199200.20  7824.95  192393.80  11065.89 206007.20  11066.41 594.046 17.199  614.840 16.618  -20.79395      23.91544  
1 1 1 5   20  12 o 530.085 8.7281  152501.09  5011.14  153141.09  7086.64  151861.00  7087.01  530.625 12.331  528.393 12.383  2.232056       17.47537  
1 1 1 5   20  13 o 366.736 6.1312  72932.13   2435.40  73407.77   3443.98  72456.40   3444.36  367.690 8.6479  365.293 8.7056  2.396820       12.27080  
1 1 1 5   20  14 o 171.128 3.4377  15867.43   637.174  16073.28   899.557  15660.16   902.652  172.191 4.8233  169.960 4.9035  2.230194       6.878122  
1 1 1 5   20  15 o 234.391 4.7084  29788.11   1195.33  30270.71   1585.50  29152.60   1819.44  236.179 6.1980  231.688 7.2505  4.491287       9.538599  
1 1 1 5   20  16 o 440.515 12.650  106140.50  6035.83  104822.00  7216.41  109210.50  11012.02 436.790 15.254  441.214 23.124  -4.424164      27.70187  
1 1 1 5   20  17 o 208.894 5.6521  23686.59   1278.81  23668.79   1814.06  23704.16   1803.01  208.569 8.0303  208.731 7.9752  -0.1624756     11.31768  
1 1 1 5   20  18 o 160.980 3.9344  14051.95   685.999  15271.07   1190.39  13445.76   839.397  167.628 6.5565  157.413 4.9233  10.21556       8.199201  
1 1 1 5   20  19 o 231.964 4.5785  29195.79   1150.30  29709.89   1526.55  28520.38   1749.72  233.832 6.0275  228.962 7.0556  4.870285       9.279689  
1 1 1 5   20  20 o 95.512  2.9651  4944.94    306.736  5194.16    429.263  4684.92    438.463  97.849  4.0504  92.916  4.3568  4.933060       5.948753  
1 1 1 5   20  21 o 110.293 3.0077  6595.19    359.292  6940.94    519.298  6277.70    497.625  113.083 4.2398  107.543 4.2722  5.540314       6.018955  
1 1 1 5   20  22 o 73.642  3.1225  2941.54    249.058  3016.01    346.522  2861.97    358.211  74.391  4.3193  72.429  4.5899  1.961388       6.302675  
1 1 1 5   20  23 o 94.435  2.9962  4839.12    306.461  4529.13    428.675  5163.17    438.289  91.262  4.3368  97.458  4.1522  -6.195496      6.004005  
1 1 1 5   20  24 o 84.224  2.6999  3850.26    246.296  3708.25    381.362  3951.89    322.596  82.405  4.2876  85.263  3.4932  -2.858482      5.530516  
1 1 1 5   20  25 o 86.744  2.7045  4087.90    254.095  4081.76    330.767  4096.75    396.894  86.582  3.5271  86.639  4.2295  -0.5644989E-01 5.507253  
1 1 1 5   20  26 o 47.985  2.4130  1254.12    125.010  1390.32    288.100  1222.53    138.753  49.985  5.4078  47.338  2.7176  2.646503       6.052210  
1 1 1 5   20  27 o 76.289  2.7704  3168.76    228.914  3012.98    383.831  3254.76    285.182  73.839  4.8259  77.211  3.4102  -3.371216      5.909187  
1 1 1 5   20  28 o 126.137 3.2204  8693.29    439.975  7743.32    609.473  9727.11    635.800  118.431 4.7514  132.910 4.4166  -14.47875      6.487074  
1 1 1 5   20  29 o 53.815  4.0237  1604.28    232.835  1608.97    303.578  1597.58    362.852  53.456  5.3137  52.785  6.4830  0.6710510      8.382404  
1 1 1 5   20  30 o 40.456  5.4772  936.492    233.830  1067.65    315.281  776.148    348.595  42.529  7.0945  35.307  9.0681  7.221565       11.51356  
1 1 1 5   20  31 o 44.324  5.0448  1120.11    237.870  1052.65    320.349  1203.01    355.130  41.835  7.3374  44.618  7.6223  -2.783318      10.58004  
1 1 1 5   20  32 o 24.821  7.4761  386.546    217.531  586.823    288.416  122.295    331.293  29.947  8.4979  20.408  8.6493  9.539095       12.12537  
1 1 1 5   20  33 o 38.848  5.8059  916.995    236.797  1087.89    314.504  693.312    359.815  41.132  7.3281  30.761  9.6805  10.37095       12.14138  
1 1 1 5   20  34 o 18.142  8.0460  54.003     314.652  169.465    355.068  -368.3278  679.076  20.382  8.8021  20.383  9.8845  -0.1251221E-02 13.23554  
1 1 1 5   20  35 o 16.689  7.6485  -27.0978   312.620  -66.0262   355.228  106.602    658.323  17.106  7.9503  22.049  10.428  -4.942831      13.11300  
1 1 1 5   20  36 o 17.925  8.0066  86.499     317.310  175.082    362.579  -203.2892  655.795  19.648  8.6791  19.786  9.6220  -0.1378136     12.95801  
1 1 1 5   21  0  o 487.800 11.550  129260.10  6102.49  123280.80  8629.98  135240.09  8630.46  475.576 16.754  498.253 15.992  -22.67676      23.16149  
1 1 1 5   21  1  f 399.422 9.5696  86574.77   4139.96  91122.09   5855.40  82029.38   5854.17  409.400 13.205  388.354 13.918  21.04639       19.18527  
1 1 1 5   21  2  o 354.084 12.200  68105.55   4678.86  68105.55   4678.86  0.0000     0.0000   354.084 12.200  ?       ?       0.000000       12.20012  
1 1 1 5   21  3  o 460.425 10.924  115057.50  5447.61  119234.90  7704.61  110881.40  7703.55  468.227 15.192  451.456 15.755  16.77188       21.88634  
1 1 1 5   21  4  o 490.836 11.625  130761.30  6180.35  129823.70  8740.58  131698.80  8740.07  488.520 16.519  492.051 16.400  -3.531128      23.27728  
1 1 1 5   21  5  o 359.512 6.2683  70036.55   2440.79  66022.35   4884.86  71372.23   2817.75  348.719 12.933  362.890 7.1690  -14.17172      14.78725  
1 1 1 5   21  6  o 375.190 6.5059  76280.83   2643.82  70557.09   5290.56  78185.93   3052.26  360.460 13.551  379.810 7.4197  -19.34976      15.44938  
1 1 1 5   21  7  o 332.201 5.7455  59794.84   2067.26  57744.38   4137.54  60477.00   2386.49  326.193 11.711  334.063 6.5957  -7.870636      13.44074  
1 1 1 5   21  8  o 84.109  2.9957  3831.69    272.907  3811.34    500.405  3840.30    325.589  83.687  5.5523  84.201  3.5701  -0.5144424     6.601003  
1 1 1 5   21  9  o 326.564 6.5039  57796.67   2300.46  56932.61   3981.78  58229.60   2818.44  323.864 11.351  327.724 7.9402  -3.860046      13.85272  
1 1 1 5   21  10 o 727.312 17.048  288127.41  13429.86 283052.69  18994.26 293200.41  18991.12 718.716 24.400  731.637 23.965  -12.92120      34.20110  
1 1 1 5   21  11 o 774.827 16.441  327207.81  13797.54 325459.19  15137.38 335794.81  33543.96 772.233 18.098  771.813 40.266  0.4201660      44.14636  
1 1 1 5   21  12 o 410.796 6.8926  91516.95   3066.75  90019.91   4336.54  93014.71   4337.55  407.127 9.8343  413.862 9.6765  -6.735535      13.79668  
1 1 1 5   21  13 o 602.715 9.8515  197422.09  6431.09  198025.70  9094.70  196818.41  9095.17  602.575 13.935  600.722 13.979  1.852905       19.73801  
1 1 1 5   21  14 o 81.026  2.7855  3556.68    244.459  3452.46    351.090  3654.76    340.584  79.710  4.0803  82.123  3.8290  -2.413193      5.595585  
1 1 1 5   21  15 o 339.245 6.8057  62485.17   2500.67  63446.62   3063.28  60564.51   4329.61  341.637 8.2785  333.096 12.001  8.540314       14.57916  
1 1 1 5   21  16 o 199.959 6.2046  21706.38   1343.77  21672.02   1682.48  21766.90   2233.13  199.660 7.7801  199.535 10.369  0.1250153      12.96301  
1 1 1 5   21  17 o 200.264 5.5046  21767.77   1193.98  22708.63   1689.54  20829.11   1687.56  204.335 7.6340  195.660 7.9632  8.675583       11.03134  
1 1 1 5   21  18 o 77.034  2.9099  3215.93    242.790  3257.02    339.332  3172.84    347.528  77.392  4.0624  76.370  4.2178  1.021996       5.855962  
1 1 1 5   21  19 o 190.720 3.9719  19727.27   820.472  19710.42   1098.83  19748.50   1233.44  190.527 5.3248  190.646 5.9734  -0.1192474     8.002191  
1 1 1 5   21  20 o 291.858 5.1695  46264.12   1634.16  46191.59   2309.84  46336.79   2312.25  291.205 7.3234  291.664 7.3195  -0.4582214     10.35411  
1 1 1 5   21  21 o 189.896 3.7920  19564.78   779.924  19529.48   1103.15  19600.06   1102.81  189.549 5.3733  189.893 5.3619  -0.3437500     7.590989  
1 1 1 5   21  22 o 80.893  3.0337  3549.14    265.801  3549.64    370.558  3548.62    381.478  80.728  4.2530  80.703  4.3807  0.2554321E-01  6.105604  
1 1 1 5   21  23 o 99.977  2.9602  5423.86    320.544  5542.92    446.535  5297.27    460.420  100.978 4.0828  98.694  4.3072  2.283981       5.934756  
1 1 1 5   21  24 o 93.854  2.7409  4781.80    278.625  4999.37    421.612  4613.10    371.247  95.827  4.0621  92.090  3.7220  3.737434       5.509488  
1 1 1 5   21  25 o 23.222  1.3691  293.294    34.284   293.076    34.684   302.551    226.361  23.212  1.3859  23.672  7.7019  -0.4597225     7.825624  
1 1 1 5   21  26 o 33.191  5.0135  618.034    174.615  350.958    247.915  880.964    245.983  25.182  8.0477  39.532  5.9278  -14.34945      9.995167  
1 1 1 5   21  27 o 68.635  3.4123  2572.40    253.665  2337.75    337.584  2876.70    384.439  64.991  4.8303  72.091  4.9536  -7.100082      6.918793  
1 1 1 5   21  28 o 86.927  2.8447  4120.98    267.835  4029.95    413.151  4186.96    351.764  85.409  4.4818  87.405  3.7157  -1.995728      5.821800  
1 1 1 5   21  29 o 22.620  7.2248  290.674    199.829  125.368    257.507  540.917    316.830  19.635  7.8991  29.973  9.0213  -10.33807      11.99085  
1 1 1 5   21  30 o 73.045  3.6135  2940.88    285.885  2633.00    385.376  3317.67    426.322  68.279  5.2514  76.737  5.1593  -8.458794      7.361751  
1 1 1 5   21  31 o 38.732  5.5702  868.517    226.952  890.394    300.320  839.388    346.537  38.284  7.5109  36.430  8.8663  1.853733       11.62005  
1 1 1 5   21  32 o 17.398  1.5218  166.070    28.388   114.926    275.114  166.620    28.541   19.074  7.9705  17.426  1.5275  1.647278       8.115585  
1 1 1 5   21  33 o 34.900  1.0473  661.897    39.587   624.607    66.796   682.085    49.148   33.734  1.8351  35.398  1.2819  -1.663841      2.238478  
1 1 1 5   21  34 o 26.486  9.2219  519.707    324.454  634.690    376.706  189.324    638.550  28.480  9.9356  23.441  10.812  5.039120       14.68355  
1 1 1 5   21  35 o 32.936  9.2717  848.553    344.759  741.422    399.420  1161.59    682.763  29.319  10.231  31.431  12.785  -2.112028      16.37403  
1 1 1 5   22  0  o 364.828 6.0190  72134.01   2378.39  73100.98   3363.76  71167.29   3363.35  367.131 8.4593  362.236 8.5726  4.895447       12.04360  
1 1 1 5   22  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   22  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   22  3  o 247.568 6.4152  33214.84   1720.19  0.0000     0.0000   33214.84   1720.19  ?       ?       247.568 6.4152  0.000000       6.415215  
1 1 1 5   22  4  o 339.631 6.6409  62510.54   2442.88  59601.65   4233.59  63962.52   2991.05  331.389 11.795  343.498 8.0395  -12.10849      14.27435  
1 1 1 5   22  5  o 507.908 11.970  140002.30  6584.87  144367.00  9313.15  135639.09  9311.67  515.248 16.688  499.364 17.216  15.88394       23.97705  
1 1 1 5   22  6  o 438.771 7.4233  104345.90  3527.79  100743.90  7058.82  105545.10  4072.92  430.570 15.136  441.227 8.5226  -10.65692      17.37068  
1 1 1 5   22  7  o 228.096 4.2020  28183.55   1038.12  28853.89   2080.75  27961.40   1197.85  230.699 8.3273  227.184 4.8680  3.514572       9.645811  
1 1 1 5   22  8  f 443.470 7.4553  106603.50  3580.98  106449.10  7165.51  106654.90  4134.28  442.529 14.950  443.508 8.6065  -0.9794922     17.25018  
1 1 1 5   22  9  o 188.315 5.1116  19213.98   1042.59  0.0000     0.0000   19213.98   1042.59  ?       ?       188.315 5.1116  0.000000       5.111601  
1 1 1 5   22  10 o 86.584  2.9177  4060.58    273.615  4274.42    341.125  3674.83    458.168  88.831  3.5455  82.190  5.1731  6.640144       6.271538  
1 1 1 5   22  11 o 327.750 6.5680  58235.79   2331.55  59113.73   2856.22  56482.32   4036.50  330.126 7.9880  322.416 11.559  7.710236       14.05055  
1 1 1 5   22  12 o 210.163 3.9189  23930.81   892.056  23583.71   1260.94  24278.60   1262.18  208.583 5.5814  211.636 5.5063  -3.053360      7.840396  
1 1 1 5   22  13 o 75.627  2.7421  3098.24    224.614  3274.25    321.673  2930.77    313.778  77.735  3.8206  73.436  3.9596  4.298431       5.502278  
1 1 1 5   22  14 o 125.146 2.9543  8485.07    400.439  9112.47    573.632  7888.73    559.253  129.666 4.0845  120.641 4.2800  9.025002       5.916188  
1 1 1 5   22  15 o 258.753 6.6376  36348.36   1860.23  37125.33   2630.55  35571.14   2630.98  261.193 9.2986  255.640 9.5021  5.553040       13.29482  
1 1 1 5   22  16 o 449.743 10.781  110372.30  5251.55  111317.90  7426.49  109426.50  7427.14  449.973 15.238  446.075 15.372  3.898163       21.64503  
1 1 1 5   22  17 o 261.039 4.6994  36963.21   1328.67  37558.26   1879.08  36368.24   1878.97  262.920 6.5986  258.708 6.7056  4.212585       9.407824  
1 1 1 5   22  18 o 50.514  1.8933  1382.26    103.588  1486.93    113.290  848.539    255.825  52.391  1.9965  39.035  6.2626  13.35550       6.573151  
1 1 1 5   22  19 o 303.393 5.2806  49978.71   1735.22  48934.30   2452.81  51025.11   2455.15  299.797 7.5538  306.167 7.4037  -6.369751      10.57708  
1 1 1 5   22  20 o 162.492 3.6036  14319.50   634.214  13599.84   858.047  15186.13   941.592  158.251 5.0061  167.207 5.1992  -8.956589      7.217505  
1 1 1 5   22  21 o 139.847 3.2527  10605.99   492.682  9871.68    696.436  11341.66   697.081  134.811 4.7696  144.528 4.4531  -9.716858      6.525302  
1 1 1 5   22  22 o 76.801  2.6241  3198.00    218.283  2963.82    354.982  3340.38    276.799  73.719  4.4669  78.467  3.2569  -4.747482      5.528215  
1 1 1 5   22  23 o 104.102 2.8930  5880.52    326.195  5681.13    443.266  6116.05    481.754  102.229 4.0033  106.051 4.1941  -3.821419      5.798034  
1 1 1 5   22  24 o 26.940  1.9280  395.528    55.885   764.355    226.022  371.511    57.676   36.923  5.8466  26.093  2.0575  10.83004       6.198044  
1 1 1 5   22  25 o 65.750  2.4678  2347.71    175.746  2260.26    210.718  2547.58    318.547  64.470  3.0177  68.160  4.3375  -3.690369      5.283966  
1 1 1 5   22  26 o 80.728  3.1326  3549.14    273.904  3382.31    376.904  3735.85    398.735  78.462  4.4534  82.466  4.4810  -4.003532      6.317598  
1 1 1 5   22  27 o 48.430  4.2051  1295.88    218.389  1175.02    293.077  1446.76    327.474  45.600  6.0859  50.673  6.0885  -5.073166      8.608623  
1 1 1 5   22  28 o 47.501  4.3610  1252.28    221.859  1089.55    292.336  1473.31    340.700  43.674  6.3673  50.926  6.3121  -7.251846      8.965794  
1 1 1 5   22  29 o 55.576  4.1697  1714.24    249.163  1793.09    324.649  1601.22    388.669  56.403  5.3795  52.568  7.0004  3.834705       8.828575  
1 1 1 5   22  30 o 74.684  3.5349  3072.57    285.935  2826.76    384.487  3376.75    427.703  70.857  5.0428  77.422  5.1295  -6.564781      7.193177  
1 1 1 5   22  31 o 31.169  1.2987  527.633    43.842   183.316    278.284  536.397    44.397   20.877  8.2738  31.427  1.3043  -10.54997      8.376005  
1 1 1 5   22  32 o 36.641  2.0325  736.600    80.346   921.991    327.175  724.702    82.884   37.727  8.2376  36.323  2.1159  1.404095       8.505047  
1 1 1 5   22  33 o 19.545  7.7287  196.492    242.316  41.404     351.046  337.640    334.898  19.027  8.4655  23.351  9.1311  -4.324047      12.45157  
1 1 1 5   22  34 o 18.719  8.1144  112.060    304.055  103.204    352.495  137.802    600.993  19.401  8.5643  22.681  10.471  -3.280949      13.52729  
1 1 1 5   22  35 o 7.3412  3.3420  -30.7240   58.406   515.123    365.427  -45.0337   59.167   25.283  9.6290  7.0262  3.2583  18.25665       10.16531  
1 1 1 5   23  0  o 447.081 10.640  108472.00  5152.44  111690.60  7287.03  105254.00  7286.28  453.219 14.845  439.911 15.292  13.30756       21.31239  
1 1 1 5   23  1  o 195.318 4.0798  20665.98   863.079  19550.84   1220.74  21780.52   1220.42  189.944 5.9337  200.489 5.6201  -10.54520      8.172821  
1 1 1 5   23  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   23  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   23  4  o 202.542 3.7976  22220.97   833.093  23049.20   1671.75  21947.34   960.908  206.218 7.4847  201.283 4.4076  4.934662       8.686079  
1 1 1 5   23  5  o 545.781 12.848  161707.91  7595.00  162259.30  10741.51 161156.59  10740.41 546.051 18.162  544.184 18.222  1.867310       25.72762  
1 1 1 5   23  6  o 291.970 6.0294  46191.01   1906.72  43054.54   3307.15  47752.69   2333.62  281.711 10.839  296.828 7.2586  -15.11792      13.04479  
1 1 1 5   23  7  o 520.091 8.7504  146665.91  4929.23  134257.59  9860.93  150799.20  5691.31  496.577 18.334  527.273 9.9657  -30.69537      20.86758  
1 1 1 5   23  8  o 292.891 5.9185  46484.80   1877.55  0.0000     0.0000   46484.80   1877.55  ?       ?       292.891 5.9185  0.000000       5.918534  
1 1 1 5   23  9  o 468.249 10.970  119006.50  5563.58  0.0000     0.0000   119006.50  5563.58  ?       ?       468.249 10.970  0.000000       10.97001  
1 1 1 5   23  10 o 301.384 7.5924  49250.64   2478.40  47387.45   3509.98  51103.25   3500.00  295.431 10.969  306.826 10.532  -11.39493      15.20678  
1 1 1 5   23  11 o 263.979 4.6845  37759.49   1339.37  37274.28   1893.54  38245.34   1894.77  262.200 6.6676  265.597 6.5866  -3.397156      9.372350  
1 1 1 5   23  12 o 215.405 4.0475  25140.88   944.312  26099.51   1337.48  24188.04   1333.44  219.420 5.6279  211.225 5.8285  8.195465       8.102134  
1 1 1 5   23  13 o 353.375 6.0571  67723.91   2318.31  72050.94   3279.04  63399.30   3278.12  364.257 8.3113  341.625 8.8594  22.63187       12.14772  
1 1 1 5   23  14 o 90.703  3.9819  4458.78    391.184  4115.28    552.557  4803.92    553.880  86.899  5.9058  93.957  5.4664  -7.058273      8.047340  
1 1 1 5   23  15 o 186.006 5.8281  18773.32   1174.16  18514.30   1919.39  18928.21   1484.28  184.157 9.6565  186.665 7.3415  -2.508118      12.13035  
1 1 1 5   23  16 o 136.814 3.6141  10145.76   535.552  10690.84   928.245  9873.79    655.689  140.328 6.1073  134.936 4.4864  5.391403       7.578053  
1 1 1 5   23  17 o 80.347  2.8005  3498.18    243.715  3561.69    332.673  3424.62    358.053  81.053  3.7895  79.359  4.1804  1.694275       5.642321  
1 1 1 5   23  18 o 273.162 4.8678  40490.77   1440.19  40249.06   2035.54  40733.06   2037.95  272.068 6.9077  273.704 6.8745  -1.636230      9.745510  
1 1 1 5   23  19 o 207.763 3.9967  23412.06   899.366  23240.08   1271.96  23584.00   1271.83  206.839 5.6777  208.368 5.6354  -1.529572      7.999656  
1 1 1 5   23  20 o 192.040 3.8109  20005.02   792.656  20185.65   1121.08  19824.46   1120.88  192.749 5.3700  191.011 5.4179  1.737839       7.628284  
1 1 1 5   23  21 o 107.680 3.0006  6287.01    349.954  5901.38    489.971  6688.58    500.000  104.256 4.3391  111.003 4.1588  -6.747437      6.010246  
1 1 1 5   23  22 o 225.028 4.2428  27509.89   1034.08  27339.41   1460.57  27681.23   1464.27  223.971 6.0209  225.372 5.9986  -1.401077      8.499063  
1 1 1 5   23  23 o 145.229 3.3625  11453.88   528.918  11309.42   767.042  11584.84   730.315  144.083 4.9151  145.877 4.6223  -1.793777      6.747128  
1 1 1 5   23  24 o 89.013  2.7782  4302.25    267.850  4086.39    413.088  4458.85    351.835  86.464  4.4259  90.538  3.5879  -4.074226      5.697468  
1 1 1 5   23  25 o 14.825  2.6631  123.042    41.191   115.979    41.872   334.660    229.188  14.364  2.7919  24.600  7.7235  -10.23547      8.212586  
1 1 1 5   23  26 o 20.974  6.9053  235.670    181.759  148.972    251.711  330.128    262.736  20.294  7.9217  24.799  8.3072  -4.504105      11.47887  
1 1 1 5   23  27 o 113.358 3.1350  7009.66    384.914  6818.63    540.120  7206.79    548.684  111.384 4.4771  114.531 4.4231  -3.146553      6.293515  
1 1 1 5   23  28 o 62.002  3.6591  2114.05    244.634  2251.95    335.010  1956.52    358.070  63.623  4.8992  59.008  5.6725  4.615269       7.495299  
1 1 1 5   23  29 o 77.285  3.6415  3283.34    304.821  3007.99    408.003  3631.20    458.582  73.256  5.1755  80.459  5.2918  -7.202766      7.401922  
1 1 1 5   23  30 o 66.109  2.7432  2391.55    196.425  2520.06    357.806  2336.11    235.003  66.912  4.9727  65.094  3.3445  1.818001       5.992766  
1 1 1 5   23  31 o 41.447  5.2325  987.254    229.660  727.244    301.103  1348.92    355.116  34.092  8.2446  47.482  7.1250  -13.38937      10.89680  
1 1 1 5   23  32 o 20.045  7.3940  221.610    211.810  296.319    276.766  115.998    329.067  22.599  8.4289  20.113  8.5754  2.486374       12.02430  
1 1 1 5   23  33 o 21.634  7.9264  288.624    242.820  295.207    351.564  282.619    335.778  22.716  9.1976  22.349  9.0098  0.3671207      12.87529  
1 1 1 5   23  34 o 43.154  2.4973  1035.83    116.225  1138.78    473.738  1029.23    119.889  36.820  11.020  42.974  2.5878  -6.153702      11.31957  
1 1 1 5   23  35 o 29.015  9.2762  672.484    329.362  594.487    381.281  901.805    653.773  26.597  9.8985  28.605  12.139  -2.008307      15.66283  
1 1 1 5   24  0  o 462.185 10.643  115903.20  5328.02  121240.80  7539.11  110577.30  7530.80  472.297 14.738  450.971 15.418  21.32523       21.32871  
1 1 1 5   24  1  f 443.142 10.499  106538.60  5039.15  113938.00  7127.30  99142.78   7125.59  457.912 14.371  427.041 15.406  30.87134       21.06767  
1 1 1 5   24  2  o 411.458 9.8690  91823.45   4398.12  90030.10   6220.13  93616.52   6219.63  407.097 14.107  415.151 13.832  -8.054199      19.75680  
1 1 1 5   24  3  o 373.430 6.5229  75567.66   2638.29  76053.09   3731.10  75082.23   3731.12  374.509 9.1982  372.108 9.2576  2.401123       13.05032  
1 1 1 5   24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   24  5  o 250.665 4.5353  34037.76   1231.31  34451.45   2467.56  33900.60   1420.85  252.070 9.0381  250.147 5.2442  1.922974       10.44935  
1 1 1 5   24  6  o 274.846 4.9187  40924.13   1464.23  42162.07   2933.53  40513.38   1689.77  278.821 9.7139  273.445 5.7054  5.375824       11.26553  
1 1 1 5   24  7  o 426.760 7.2131  98713.05   3334.07  99318.19   6672.78  98511.70   3848.96  427.526 14.410  426.264 8.3367  1.262268       16.64807  
1 1 1 5   24  8  o 348.453 6.8974  65809.52   2603.14  0.0000     0.0000   65809.52   2603.14  ?       ?       348.453 6.8974  0.000000       6.897372  
1 1 1 5   24  9  f 263.124 5.5185  37515.97   1572.72  35776.18   2732.54  38377.78   1923.20  256.788 9.8248  266.093 6.6730  -9.305664      11.87665  
1 1 1 5   24  10 o 538.489 9.6335  157358.91  5618.66  168341.80  10392.51 152822.70  6678.94  555.696 17.267  530.421 11.626  25.27515       20.81584  
1 1 1 5   24  11 o 445.391 8.6790  107651.70  4186.81  102961.70  7252.32  109996.20  5127.58  434.618 15.406  449.997 10.520  -15.37976      18.65567  
1 1 1 5   24  12 o 101.875 2.7891  5621.99    307.754  5984.93    437.349  5265.99    433.140  105.100 3.8420  98.583  4.0566  6.517258       5.587170  
1 1 1 5   24  13 o 234.779 6.1313  29897.23   1559.13  29070.23   2203.05  30727.08   2206.84  231.319 8.7931  237.839 8.5668  -6.519897      12.27634  
1 1 1 5   24  14 o 182.184 5.5924  18003.06   1103.52  18949.76   1401.52  16458.73   1790.06  186.834 6.9259  173.672 9.5530  13.16156       11.79945  
1 1 1 5   24  15 o 165.899 4.8805  14925.77   876.953  14498.90   1239.56  15353.53   1240.84  163.389 7.0044  168.149 6.8132  -4.759537      9.771502  
1 1 1 5   24  16 o 379.968 7.4518  78484.26   3066.74  79191.84   5312.10  78130.54   3755.85  380.241 12.898  378.745 9.1557  1.496185       15.81759  
1 1 1 5   24  17 o 538.714 8.9998  158148.91  5251.25  155743.30  7425.94  160555.09  7426.85  532.875 12.866  541.147 12.671  -8.272156      18.05836  
1 1 1 5   24  18 o 232.924 4.3101  29428.21   1087.35  28937.69   1536.85  29919.88   1538.64  230.784 6.1483  234.679 6.0533  -3.895523      8.628074  
1 1 1 5   24  19 o 249.154 5.3076  33710.50   1432.31  34031.00   2025.03  33389.64   2026.16  249.999 7.4786  247.619 7.5548  2.380692       10.63035  
1 1 1 5   24  20 o 181.391 3.6784  17846.35   722.677  17833.58   1021.57  17859.13   1022.47  181.184 5.2057  181.314 5.2066  -0.1296539     7.362558  
1 1 1 5   24  21 o 82.934  3.0608  3729.71    274.942  3308.29    387.874  4155.30    389.787  77.908  4.6172  87.492  4.1133  -9.584038      6.183694  
1 1 1 5   24  22 o 142.777 3.2792  11061.25   507.107  11419.66   716.830  10702.17   717.484  144.938 4.5663  140.293 4.7218  4.645432       6.568578  
1 1 1 5   24  23 o 50.686  3.6679  1403.30    200.000  996.950    280.943  1820.82    284.782  42.237  6.3368  57.649  4.5992  -15.41175      7.829899  
1 1 1 5   24  24 o 109.998 3.0204  6573.86    359.853  6668.38    508.975  6479.39    508.841  110.610 4.2485  109.021 4.3093  1.588715       6.051379  
1 1 1 5   24  25 o 16.049  1.4774  140.818    25.393   142.938    25.566   -14.1234   218.583  16.171  1.4759  16.067  6.9224  0.1038322      7.078035  
1 1 1 5   24  26 o 21.955  6.8702  267.026    181.514  211.533    250.995  327.867    262.810  21.674  8.0381  24.733  8.3083  -3.059362      11.56026  
1 1 1 5   24  27 o 67.545  2.4890  2482.24    182.093  2532.24    343.768  2462.74    214.685  67.660  4.7205  67.216  2.9489  0.4437866      5.565910  
1 1 1 5   24  28 o 51.257  4.0023  1452.15    220.433  1370.33    306.558  1539.74    317.193  49.215  5.8667  52.265  5.6954  -3.050919      8.176555  
1 1 1 5   24  29 f 72.406  2.8259  2865.18    221.613  2739.17    256.191  3239.74    441.702  70.666  3.3472  75.908  5.4078  -5.241821      6.359866  
1 1 1 5   24  30 o 32.073  1.5258  558.914    53.004   562.700    53.705   416.616    329.256  32.181  1.5408  26.777  9.2918  5.404314       9.418645  
1 1 1 5   24  31 o 34.091  6.5827  695.620    234.263  500.495    318.481  925.654    345.799  28.247  9.1313  38.354  8.5432  -10.10734      12.50470  
1 1 1 5   24  32 o 13.551  6.1947  -91.8339   203.319  -240.6260  263.566  126.839    319.519  13.844  6.5623  20.032  8.4924  -6.188111      10.73245  
1 1 1 5   24  33 o 10.387  3.6589  54.760     51.155   345.321    352.232  48.499     51.703   23.571  9.3189  10.072  3.6625  13.49890       10.01279  
1 1 1 5   24  34 o 40.628  8.0870  1138.32    343.352  1159.86    407.530  1085.62    637.412  39.088  9.6773  32.551  12.634  6.537506       15.91424  
1 1 1 5   24  35 o 18.923  8.1865  156.176    308.252  85.880     353.948  376.913    627.207  18.637  8.3804  23.634  10.832  -4.996752      13.69536  
1 1 1 5   25  0  o 590.065 19.646  189684.30  12556.06 189684.30  12556.06 0.0000     0.0000   590.065 19.646  ?       ?       0.000000       19.64642  
1 1 1 5   25  1  o 225.141 3.9913  27457.05   973.292  28386.91   1376.96  26528.60   1375.92  228.895 5.5541  221.273 5.7411  7.622528       7.988038  
1 1 1 5   25  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   25  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   25  4  o 451.163 10.672  110414.90  5214.70  117937.10  7375.65  102896.60  7373.75  465.939 14.615  435.117 15.646  30.82242       21.41047  
1 1 1 5   25  5  o 666.417 22.114  242271.80  15961.67 242271.80  15961.67 0.0000     0.0000   666.417 22.114  ?       ?       0.000000       22.11374  
1 1 1 5   25  6  o 178.879 3.5029  17331.71   678.667  18824.98   1365.53  16841.87   782.099  186.377 6.7646  176.327 4.0952  10.04997       7.907593  
1 1 1 5   25  7  o 464.410 7.8730  116920.00  3960.16  117943.80  7925.02  116579.20  4571.90  465.729 15.711  463.653 9.1040  2.075623       18.15795  
1 1 1 5   25  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   25  9  o 934.165 21.586  476971.31  21840.47 491185.31  30889.72 462762.19  30884.45 943.834 30.217  915.612 31.143  28.22302       43.39274  
1 1 1 5   25  10 o 456.654 8.1629  113107.80  4037.41  112441.00  7477.76  113382.20  4796.65  454.433 15.193  457.062 9.6893  -2.628387      18.01935  
1 1 1 5   25  11 o 377.880 6.4814  77423.33   2652.73  72376.09   5306.14  79105.17   3062.98  364.632 13.436  381.892 7.4051  -17.25998      15.34107  
1 1 1 5   25  12 f 214.058 5.7132  24842.63   1324.59  23489.93   1871.17  26201.38   1875.35  208.018 8.3051  219.722 7.8802  -11.70418      11.44867  
1 1 1 5   25  13 o 355.774 9.9883  68841.39   3848.91  64919.30   6914.10  70602.56   4633.16  343.181 18.672  359.977 11.883  -16.79596      22.13222  
1 1 1 5   25  14 o 142.069 4.7500  10943.27   730.901  11176.26   967.068  10632.87   1116.19  143.513 6.2215  139.728 7.4018  3.784821       9.669228  
1 1 1 5   25  15 o 240.728 4.3896  31419.06   1144.53  33754.46   1620.20  29092.84   1617.01  249.389 5.9982  231.490 6.4493  17.89920       8.807451  
1 1 1 5   25  16 o 196.618 5.4352  20978.73   1157.47  20368.63   1636.11  21590.01   1637.70  193.527 7.8055  199.268 7.5880  -5.741013      10.88594  
1 1 1 5   25  17 o 220.047 4.1428  26257.46   987.357  26319.52   1395.79  26195.30   1396.88  220.160 5.8534  219.638 5.8719  0.5220337      8.291110  
1 1 1 5   25  18 o 239.229 4.4107  31045.91   1142.86  31319.35   1617.12  30773.07   1615.38  240.079 6.2190  237.970 6.2673  2.109192       8.829205  
1 1 1 5   25  19 f 302.185 5.7484  49613.98   1881.43  48700.54   2477.70  50857.95   2891.45  299.015 7.6504  305.297 8.7442  -6.282288      11.61854  
1 1 1 5   25  20 o 274.838 5.2494  41038.37   1562.63  42234.68   2391.69  40147.33   2064.10  278.241 7.9362  271.494 7.0194  6.746613       10.59508  
1 1 1 5   25  21 o 110.091 3.0503  6572.47    363.715  6595.99    513.787  6548.84    514.956  110.215 4.3040  109.819 4.3294  0.3963699      6.104734  
1 1 1 5   25  22 o 140.720 3.3156  10746.19   505.344  10883.85   731.905  10620.78   698.588  141.461 4.7769  139.761 4.6149  1.700058       6.642043  
1 1 1 5   25  23 o 16.659  6.3818  103.131    161.103  206.675    226.880  -2.1728    228.801  21.226  7.6792  16.746  7.1454  4.480156       10.48940  
1 1 1 5   25  24 o 27.832  5.7055  439.704    166.217  381.276    233.829  499.385    236.323  26.049  7.7298  29.502  7.4068  -3.452824      10.70558  
1 1 1 5   25  25 o 52.599  1.6880  1500.40    96.165   1415.97    136.626  1583.29    135.379  51.057  2.4706  54.000  2.3147  -2.942345      3.385501  
1 1 1 5   25  26 o 31.574  5.7695  567.021    190.031  536.486    262.475  600.658    275.485  30.346  7.9063  32.078  7.9654  -1.732168      11.22313  
1 1 1 5   25  27 o 36.772  5.3771  762.938    207.827  954.290    301.857  590.487    286.562  40.676  7.1104  31.630  8.2710  9.046246       10.90723  
1 1 1 5   25  28 o 58.895  3.6971  1909.71    234.641  1810.79    325.073  2017.31    339.030  56.839  5.3431  60.046  5.2662  -3.206848      7.502120  
1 1 1 5   25  29 o 53.199  1.8955  1539.06    109.215  1528.50    152.777  1550.08    156.187  52.840  2.6782  53.204  2.7195  -0.3637352     3.816862  
1 1 1 5   25  30 o 30.566  1.3498  507.273    44.687   512.921    45.061   172.001    347.183  30.736  1.3536  22.289  9.0970  8.446455       9.197184  
1 1 1 5   25  31 o 4.7804  2.3289  -69.8830   38.896   -78.4998   39.174   530.001    326.856  4.6390  2.2762  28.900  9.2410  -24.26126      9.517233  
1 1 1 5   25  32 o 19.336  1.8944  206.323    39.164   208.730    39.438   34.486     333.242  19.449  1.8963  18.928  8.3429  0.5208092      8.555736  
1 1 1 5   25  33 o 19.184  8.1601  128.875    296.699  101.608    343.764  208.506    587.463  19.624  8.5660  23.891  10.765  -4.267157      13.75696  
1 1 1 5   25  34 o 25.458  9.0591  478.917    314.352  169.208    367.160  1329.28    608.390  20.357  8.8703  36.657  12.636  -16.29996      15.43834  
1 1 1 5   25  35 o 37.256  13.307  1613.69    678.876  0.0000     0.0000   1613.69    678.876  ?       ?       37.256  13.307  0.000000       13.30693  
1 1 1 5   26  0  o 746.945 24.739  304864.09  20014.53 0.0000     0.0000   304864.09  20014.53 ?       ?       746.945 24.739  0.000000       24.73926  
1 1 1 5   26  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   26  2  o 245.671 4.3585  32693.87   1159.74  31966.26   1640.24  33421.27   1640.01  242.887 6.2350  248.356 6.0968  -5.469315      8.720403  
1 1 1 5   26  3  o 333.721 5.8453  60342.46   2112.80  59784.28   2987.92  60900.67   2987.98  332.091 8.3070  335.180 8.2306  -3.089386      11.69393  
1 1 1 5   26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   26  5  o 778.136 25.774  331228.81  21722.22 331228.81  21722.22 0.0000     0.0000   778.136 25.774  ?       ?       0.000000       25.77379  
1 1 1 5   26  6  o 364.927 6.1885  72163.30   2446.01  70962.49   4897.96  72562.28   2823.27  361.537 12.508  365.897 7.1240  -4.360687      14.39461  
1 1 1 5   26  7  o 594.352 12.684  191827.00  8165.29  0.0000     0.0000   191827.00  8165.29  ?       ?       594.352 12.684  0.000000       12.68405  
1 1 1 5   26  8  o 479.492 11.369  124806.00  5904.18  0.0000     0.0000   124806.00  5904.18  ?       ?       479.492 11.369  0.000000       11.36863  
1 1 1 5   26  9  o 860.002 20.043  403861.50  18669.27 405188.59  26404.55 402534.91  26400.12 857.851 28.418  854.992 28.508  2.858398       40.25328  
1 1 1 5   26  10 o 637.240 10.556  220518.59  7285.55  214873.91  14573.32 222399.41  8412.20  626.324 21.483  639.667 12.142  -13.34271      24.67655  
1 1 1 5   26  11 o 140.121 4.4818  10639.20   680.183  12245.50   917.220  8676.54    1013.88  150.301 5.6343  126.252 7.4474  24.04841       9.338568  
1 1 1 5   26  12 o 62.978  4.0896  2158.29    277.446  1801.70    384.083  2547.39    401.214  57.295  6.2929  68.329  5.4670  -11.03448      8.336029  
1 1 1 5   26  13 o 369.355 8.9498  74145.88   3580.36  70952.48   5062.34  77341.94   5064.45  360.606 12.961  376.609 12.416  -16.00290      17.94839  
1 1 1 5   26  14 o 170.763 4.0011  15805.21   740.025  16635.28   1282.80  15391.18   905.974  175.050 6.7659  168.473 4.9650  6.577759       8.392163  
1 1 1 5   26  15 o 317.750 5.5483  54781.17   1909.48  56083.62   2700.48  53478.84   2700.35  321.216 7.7620  313.640 7.9491  7.576202       11.11022  
1 1 1 5   26  16 o 447.578 10.726  109369.70  5199.74  114543.60  7353.96  104196.90  7353.13  456.344 14.878  434.908 15.610  21.43597       21.56487  
1 1 1 5   26  17 o 270.351 4.8360  39655.27   1416.08  40852.55   2002.48  38457.60   2002.80  274.162 6.7436  265.974 6.9523  8.187683       9.685564  
1 1 1 5   26  18 o 222.272 4.1897  26796.82   1008.65  27218.20   1425.95  26374.84   1426.95  223.845 5.8815  220.338 5.9793  3.506485       8.387123  
1 1 1 5   26  19 o 126.038 3.1158  8611.35    425.350  9040.48    600.160  8178.27    602.921  129.084 4.2926  122.761 4.5345  6.322861       6.244079  
1 1 1 5   26  20 o 190.447 3.7471  19674.74   772.926  19372.58   1088.59  19981.95   1097.63  188.819 5.3229  191.770 5.2845  -2.951340      7.500637  
1 1 1 5   26  21 o 19.402  1.5810  205.287    32.934   206.309    33.239   150.365    243.578  19.450  1.5918  20.375  7.8371  -0.9249992     7.997140  
1 1 1 5   26  22 o 77.208  2.6600  3232.74    222.439  3258.39    279.585  3188.50    367.172  77.483  3.3315  76.454  4.4533  1.029289       5.561535  
1 1 1 5   26  23 o 118.969 3.0820  7684.98    397.139  7504.04    560.959  7866.81    562.322  117.399 4.4116  120.217 4.3187  -2.817612      6.173566  
1 1 1 5   26  24 o 14.696  6.0411  38.804     154.482  145.003    217.338  -69.6343   219.619  19.394  7.4164  15.202  6.7331  4.191265       10.01684  
1 1 1 5   26  25 o 112.253 3.0426  6855.73    369.927  6504.38    505.993  7259.15    542.194  109.091 4.2824  115.232 4.3442  -6.140533      6.100089  
1 1 1 5   26  26 o 33.924  5.4426  649.674    193.216  579.231    267.431  726.599    279.464  31.504  7.8625  35.388  7.5228  -3.884483      10.88171  
1 1 1 5   26  27 o 60.352  3.6044  1999.16    234.536  2079.53    327.189  1914.22    336.370  61.195  4.9796  58.580  5.3609  2.614708       7.316803  
1 1 1 5   26  28 o 73.273  2.7556  2928.64    218.687  2882.19    266.010  3025.48    384.103  72.556  3.3850  73.777  4.8335  -1.220734      5.900920  
1 1 1 5   26  29 o 76.532  3.5117  3218.17    291.092  3144.34    387.810  3313.45    440.546  75.044  4.7963  76.775  5.3309  -1.731033      7.170966  
1 1 1 5   26  30 o 38.507  5.6903  855.194    230.181  718.460    288.791  1093.37    381.149  34.324  7.9280  42.160  8.6373  -7.836170      11.72416  
1 1 1 5   26  31 o 3.8448  1.8988  -64.0838   28.764   330.784    264.580  -68.8068   28.936   23.809  8.3255  3.7711  1.8700  20.03816       8.532947  
1 1 1 5   26  32 o 26.026  2.3320  375.187    65.040   371.349    66.516   458.803    310.472  25.875  2.4008  26.201  9.0267  -0.3259487     9.340551  
1 1 1 5   26  33 f 28.322  11.822  631.226    604.336  0.0000     0.0000   631.226    604.336  ?       ?       28.322  11.822  0.000000       11.82240  
1 1 1 5   26  34 o 17.024  2.5207  164.081    45.074   0.0000     0.0000   164.081    45.074   ?       ?       17.024  2.5207  0.000000       2.520737  
1 1 1 5   26  35 o 20.455  9.7589  -46.5112   602.144  0.0000     0.0000   -46.5112   602.144  ?       ?       20.455  9.7589  0.000000       9.758935  
1 1 1 5   27  0  o 377.775 6.2462  77330.47   2555.75  79350.48   3614.72  75311.21   3614.04  382.576 8.7234  372.700 8.9529  9.875427       12.50011  
1 1 1 5   27  1  o 286.264 4.9855  44394.52   1545.79  46520.73   2186.50  42269.97   2185.64  292.991 6.8901  279.276 7.2256  13.71591       9.984128  
1 1 1 5   27  2  o 382.450 6.5003  79259.89   2692.63  79146.80   3808.09  79372.95   3807.82  382.061 9.2025  382.607 9.1887  -0.5461121     13.00452  
1 1 1 5   27  3  o 511.290 9.9127  141774.09  5489.46  142141.80  6722.44  141038.30  9510.15  511.771 12.128  509.224 17.243  2.546692       21.08074  
1 1 1 5   27  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   27  5  o 432.541 8.5213  101434.20  3992.09  98851.98   6917.24  102723.80  4888.33  426.498 14.974  435.164 10.371  -8.665497      18.21523  
1 1 1 5   27  6  o 319.411 5.4034  55277.39   1869.33  63773.59   3747.39  52462.86   2156.85  342.879 10.091  311.144 6.4001  31.73511       11.94916  
1 1 1 5   27  7  o 202.898 4.3841  22301.96   963.443  0.0000     0.0000   22301.96   963.443  ?       ?       202.898 4.3841  0.000000       4.384068  
1 1 1 5   27  8  o 206.089 4.4819  23009.83   1000.43  24103.87   1743.95  22473.21   1221.38  210.854 7.6363  203.651 5.5373  7.203690       9.432602  
1 1 1 5   27  9  o 97.442  2.6852  5142.84    283.392  5485.18    579.678  5035.33    324.859  100.468 5.3463  96.416  3.1108  4.051842       6.185516  
1 1 1 5   27  10 o 374.243 6.4230  75930.77   2603.53  72911.41   5210.46  76935.46   3005.65  366.097 13.140  376.647 7.3677  -10.54996      15.06502  
1 1 1 5   27  11 o 730.418 20.383  292711.19  16125.73 294274.19  19139.39 288886.81  29938.35 730.438 24.192  712.615 38.936  17.82269       45.83953  
1 1 1 5   27  12 o 456.241 12.728  113427.70  6289.85  108876.90  11490.26 115374.90  7515.95  442.889 24.043  459.563 15.100  -16.67401      28.39161  
1 1 1 5   27  13 o 111.750 2.9052  6765.59    351.638  7793.61    692.715  6408.73    408.131  119.884 5.3349  108.754 3.4649  11.12997       6.361303  
1 1 1 5   27  14 o 121.925 2.9779  8054.42    393.252  8392.85    779.190  7938.76    455.523  124.376 5.7841  121.035 3.4748  3.340607       6.747592  
1 1 1 5   27  15 o 31.274  5.0150  543.800    164.130  600.687    270.805  510.770    206.348  32.593  7.7792  30.093  6.5194  2.500069       10.14981  
1 1 1 5   27  16 o 384.276 11.072  80674.57   4608.11  80140.21   5530.35  81888.13   8334.28  382.241 13.358  382.812 20.172  -0.5710449     24.19396  
1 1 1 5   27  17 o 134.359 3.6126  9786.61    525.724  9488.42    910.893  9935.55    643.767  132.151 6.3639  135.344 4.3916  -3.192947      7.732115  
1 1 1 5   27  18 o 81.822  2.9629  3628.42    262.577  4096.98    375.969  3182.25    366.877  86.916  3.9937  76.460  4.4494  10.45697       5.978883  
1 1 1 5   27  19 o 239.405 4.7404  31111.14   1229.18  31588.91   1629.77  30480.85   1871.94  241.032 6.2428  236.591 7.3050  4.440353       9.609191  
1 1 1 5   27  20 o 86.889  3.0095  4093.07    283.229  3970.07    397.026  4220.53    404.161  85.417  4.3053  88.185  4.2315  -2.767502      6.036613  
1 1 1 5   27  21 o 173.680 3.5546  16367.24   668.670  16163.22   940.243  16576.02   951.137  172.427 5.0346  174.616 5.0291  -2.188705      7.116092  
1 1 1 5   27  22 o 136.130 3.2112  10056.88   473.466  10133.71   667.941  9979.28    671.234  136.509 4.5176  135.457 4.5751  1.051392       6.429636  
1 1 1 5   27  23 o 286.636 5.4336  44868.93   1686.89  46985.37   2225.30  42009.72   2586.48  292.500 7.0241  275.582 8.6654  16.91748       11.15470  
1 1 1 5   27  24 o 167.054 3.5294  15187.78   638.592  16214.16   907.617  14181.55   898.660  172.225 4.8656  160.977 5.1542  11.24791       7.088006  
1 1 1 5   27  25 o 71.499  2.5411  2777.68    196.785  2822.61    234.739  2671.44    360.948  72.027  3.0090  69.660  4.8135  2.366562       5.676590  
1 1 1 5   27  26 o 38.464  1.6308  802.561    67.941   1111.49    278.090  782.951    70.064   44.447  5.9242  37.988  1.7029  6.458408       6.164071  
1 1 1 5   27  27 o 34.527  5.4192  675.127    195.983  806.958    271.534  531.773    283.154  37.356  6.9674  30.050  8.3827  7.306490       10.90018  
1 1 1 5   27  28 o 35.086  1.0734  667.422    40.792   686.553    41.250   -179.0052  274.380  35.586  1.0702  15.478  7.1200  20.10725       7.200021  
1 1 1 5   27  29 o 29.360  7.2106  514.243    227.628  659.809    302.991  325.631    344.894  32.912  8.4549  25.262  9.4119  7.649151       12.65185  
1 1 1 5   27  30 o 40.628  1.9727  898.907    86.810   909.884    288.836  897.817    91.018   39.124  7.0767  40.539  2.0799  -1.415386      7.376033  
1 1 1 5   27  31 o 21.264  8.1880  221.204    266.098  -310.8108  445.667  515.942    331.716  18.487  8.6929  28.435  9.3271  -9.947662      12.74996  
1 1 1 5   27  32 o 45.974  6.1482  1282.14    298.480  1219.62    508.799  1314.95    368.562  39.805  11.284  45.163  7.8177  -5.357372      13.72743  
1 1 1 5   27  33 o 46.863  12.832  1919.48    670.454  0.0000     0.0000   1919.48    670.454  ?       ?       46.863  12.832  0.000000       12.83245  
1 1 1 5   27  34 o 26.279  11.430  567.085    607.343  0.0000     0.0000   567.085    607.343  ?       ?       26.279  11.430  0.000000       11.43000  
1 1 1 5   27  35 o 33.225  11.241  1039.50    481.147  0.0000     0.0000   1039.50    481.147  ?       ?       33.225  11.241  0.000000       11.24126  
1 1 1 5   28  0  o 492.064 10.090  131315.00  5377.43  142424.59  8376.77  123527.80  7013.27  511.994 15.106  476.969 13.576  35.02451       20.30962  
1 1 1 5   28  1  o 713.418 23.639  277845.59  18265.94 277845.59  18265.94 0.0000     0.0000   713.418 23.639  ?       ?       0.000000       23.63893  
1 1 1 5   28  2  o 152.523 3.1390  12600.13   518.562  12671.02   733.539  12529.31   733.177  152.941 4.4282  152.083 4.4510  0.8578491      6.278574  
1 1 1 5   28  3  o 306.593 5.3306  50926.89   1770.14  48761.53   2503.12  53093.04   2503.58  299.935 7.7052  312.985 7.3853  -13.04950      10.67299  
1 1 1 5   28  4  o 532.614 12.615  153999.41  7277.54  155504.00  10288.69 152492.91  10295.32 534.573 17.770  529.346 17.957  5.227783       25.26291  
1 1 1 5   28  5  o 452.673 8.6320  111101.90  4232.22  120863.70  7335.52  106231.20  5181.59  471.649 14.360  442.490 10.812  29.15869       17.97463  
1 1 1 5   28  6  o 615.157 11.824  205411.50  7877.82  0.0000     0.0000   205411.50  7877.82  ?       ?       615.157 11.824  0.000000       11.82360  
1 1 1 5   28  7  o 328.783 8.0376  58608.56   2862.23  0.0000     0.0000   58608.56   2862.23  ?       ?       328.783 8.0376  0.000000       8.037574  
1 1 1 5   28  8  o 423.550 8.4047  97287.42   3855.65  88816.52   6682.97  101513.80  4720.50  404.043 15.271  432.520 10.077  -28.47784      18.29604  
1 1 1 5   28  9  o 174.919 3.4890  16574.43   661.018  18214.79   1330.49  16036.83   761.672  183.302 6.7015  172.050 4.0873  11.25175       7.849630  
1 1 1 5   28  10 o 161.600 4.8343  14151.61   846.152  12907.64   1200.05  15381.51   1193.25  154.274 7.1819  168.431 6.5409  -14.15689      9.714073  
1 1 1 5   28  11 o 253.694 6.5206  34903.79   1791.72  35427.86   2535.56  34381.10   2532.21  255.417 9.1655  251.605 9.2920  3.811264       13.05169  
1 1 1 5   28  12 o 190.961 4.3551  19763.45   900.771  20549.08   1560.18  19370.64   1103.21  194.579 7.4030  189.016 5.3888  5.563660       9.156629  
1 1 1 5   28  13 o 368.485 6.2838  73674.08   2507.90  75019.91   5015.53  73225.40   2895.93  370.785 12.489  367.240 7.2806  3.545197       14.45613  
1 1 1 5   28  14 o 208.698 4.1419  23610.00   936.245  21625.02   2361.20  23980.30   1019.84  198.854 11.006  210.311 4.4771  -11.45689      11.88160  
1 1 1 5   28  15 o 96.453  2.8620  5040.87    298.986  5090.38    583.087  5023.21    348.253  96.693  5.5915  96.275  3.3397  0.4176788      6.512955  
1 1 1 5   28  16 o 115.070 4.1516  7179.83    517.419  7449.58    731.493  6909.71    731.990  117.143 5.7653  112.646 6.0214  4.496414       8.336418  
1 1 1 5   28  17 o 89.045  3.0306  4297.18    292.288  4614.90    556.379  4176.07    343.508  92.025  5.6088  87.767  3.6135  4.257507       6.672096  
1 1 1 5   28  18 o 148.509 3.8259  11959.74   615.404  12613.04   1060.10  11627.68   755.791  152.328 6.4254  146.380 4.7671  5.948761       8.000636  
1 1 1 5   28  19 o 241.077 5.1465  31562.00   1343.80  29061.13   2326.30  32814.43   1646.25  230.597 9.3141  245.661 6.1871  -15.06326      11.18183  
1 1 1 5   28  20 o 166.857 4.0633  15108.32   734.329  15568.89   1270.14  14877.08   899.987  169.051 6.9369  165.486 5.0212  3.564819       8.563448  
1 1 1 5   28  21 o 123.984 3.1033  8337.41    416.728  7858.96    585.231  8829.54    593.541  120.274 4.4925  127.502 4.2980  -7.227928      6.217323  
1 1 1 5   28  22 o 268.088 5.1567  39143.43   1497.32  38354.41   1978.12  40202.05   2291.29  264.782 6.8976  270.698 7.8149  -5.915924      10.42352  
1 1 1 5   28  23 o 166.330 3.5790  15039.44   644.769  15106.34   874.086  14959.58   954.954  166.436 4.8488  165.506 5.3272  0.9293976      7.203479  
1 1 1 5   28  24 o 27.741  5.9977  438.796    174.957  534.820    259.974  359.305    236.536  30.471  7.8338  25.413  7.8247  5.058273       11.07224  
1 1 1 5   28  25 o 50.380  2.3180  1378.43    126.483  1318.88    138.622  1674.48    309.083  49.193  2.6111  54.968  5.2556  -5.774864      5.868509  
1 1 1 5   28  26 o 83.500  3.1756  3800.64    287.196  3717.61    401.424  3887.69    411.060  82.187  4.5270  84.050  4.5322  -1.862823      6.405787  
1 1 1 5   28  27 o 68.266  3.4331  2553.76    253.031  3081.67    352.842  1994.84    363.057  74.743  4.3776  59.678  5.6856  15.06522       7.175588  
1 1 1 5   28  28 o 70.167  4.0498  2718.19    306.469  2690.05    547.443  2731.03    369.858  68.243  7.5319  70.023  4.9077  -1.780022      8.989743  
1 1 1 5   28  29 o 17.560  1.8946  169.646    35.463   289.917    428.359  168.816    35.585   25.848  10.258  17.514  1.9067  8.333261       10.43414  
1 1 1 5   28  30 o 30.914  8.2108  588.307    279.561  664.540    456.237  542.477    353.752  32.363  10.946  29.638  9.6275  2.724342       14.57784  
1 1 1 5   28  31 o 33.921  8.0189  725.874    289.967  97.613     470.955  1109.45    367.988  22.946  10.021  41.893  8.4023  -18.94682      13.07748  
1 1 1 5   28  32 o 19.188  7.9191  148.059    266.779  861.327    455.742  -223.7567  329.046  33.518  10.930  15.805  7.4434  17.71280       13.22343  
1 1 1 5   28  33 o 24.236  10.131  360.159    444.709  0.0000     0.0000   360.159    444.709  ?       ?       24.236  10.131  0.000000       10.13115  
1 1 1 5   28  34 o 23.156  10.138  318.570    484.625  0.0000     0.0000   318.570    484.625  ?       ?       23.156  10.138  0.000000       10.13767  
1 1 1 5   28  35 o 15.280  7.5888  -700.7810  483.715  0.0000     0.0000   -700.7810  483.715  ?       ?       15.280  7.5888  0.000000       7.588772  
1 1 1 5   29  0  o 225.611 4.2908  27572.43   1048.50  26711.60   1483.06  28432.64   1482.55  222.029 6.1671  229.074 5.9753  -7.044937      8.587043  
1 1 1 5   29  1  o 666.824 15.440  241638.70  11151.08 262088.91  15771.19 221194.70  15768.83 693.451 20.998  636.680 22.867  56.77026       31.04535  
1 1 1 5   29  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   29  3  o 164.634 3.3510  14680.95   597.528  14431.96   886.673  14888.10   808.757  163.215 5.0157  165.780 4.5042  -2.565353      6.741288  
1 1 1 5   29  4  o 729.589 17.037  289571.41  13463.35 279151.50  19040.27 299990.91  19039.83 714.599 24.600  741.035 23.722  -26.43585      34.17479  
1 1 1 5   29  5  o 262.239 4.8044  37256.01   1364.60  39670.22   1931.51  34850.20   1928.15  270.557 6.5913  253.577 7.0204  16.98079       9.629673  
1 1 1 5   29  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   29  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   29  8  o 720.388 11.816  281857.19  9219.19  277846.00  18441.93 283193.50  10644.72 712.067 23.912  721.752 13.617  -9.684875      27.51728  
1 1 1 5   29  9  f 442.045 10.572  106111.40  5061.65  103867.70  7159.34  108353.70  7157.18  436.721 15.136  446.105 14.813  -9.383636      21.17787  
1 1 1 5   29  10 o 420.584 10.058  96078.82   4581.78  98738.59   6481.09  93421.48   6478.14  425.769 14.054  414.080 14.444  11.68942       20.15329  
1 1 1 5   29  11 o 362.421 8.7872  71323.43   3449.34  73956.05   4879.74  68694.36   4876.46  368.587 12.223  355.164 12.677  13.42316       17.60983  
1 1 1 5   29  12 o 89.126  2.7989  4303.22    270.182  4408.98    540.560  4268.01    311.941  89.998  5.5729  88.756  3.2449  1.242729       6.448789  
1 1 1 5   29  13 o 69.298  2.8063  2601.71    210.634  2416.29    416.262  2665.52    244.206  66.485  5.8398  70.139  3.2146  -3.654106      6.666121  
1 1 1 5   29  14 o 91.236  2.8068  4509.92    277.367  4136.58    538.971  4644.42    323.492  87.126  5.7437  92.580  3.2261  -5.453133      6.587660  
1 1 1 5   29  15 o 214.793 4.2945  25015.86   999.089  25022.98   1873.57  25013.04   1181.02  214.491 8.0647  214.729 5.0780  -0.2373352     9.530287  
1 1 1 5   29  16 o 106.642 4.0012  6166.14    462.155  5509.52    666.609  6773.83    641.297  100.535 6.1514  111.723 5.2996  -11.18763      8.119513  
1 1 1 5   29  17 o 163.473 3.5948  14487.67   636.485  16214.39   1215.18  13834.86   747.176  172.732 6.4953  159.710 4.3194  13.02184       7.800372  
1 1 1 5   29  18 o 157.738 3.4124  13488.96   582.990  13998.47   1158.19  13316.06   674.699  160.446 6.6647  156.693 3.9755  3.753006       7.760304  
1 1 1 5   29  19 o 107.539 3.4735  6271.06    404.574  6924.40    700.148  5943.56    495.710  112.728 5.7536  104.653 4.3733  8.074760       7.226956  
1 1 1 5   29  20 o 225.323 4.8851  27579.43   1192.20  25623.00   2059.47  28565.49   1462.09  216.445 8.7850  229.156 5.8908  -12.71198      10.57717  
1 1 1 5   29  21 o 319.618 6.9984  55768.32   2422.72  55179.82   3800.34  56171.25   3144.56  316.018 11.103  319.901 9.0756  -3.882721      14.34024  
1 1 1 5   29  22 o 166.147 4.0466  15004.57   728.213  14492.74   1258.53  15262.18   892.859  162.659 7.1436  167.420 4.9239  -4.761261      8.676128  
1 1 1 5   29  23 o 102.451 3.4636  5705.50    384.337  6440.96    661.194  5330.19    472.330  108.376 5.6524  98.910  4.4090  9.465881       7.168589  
1 1 1 5   29  24 o 136.136 3.8504  10100.12   567.733  10240.87   977.730  10028.51   697.339  136.243 6.6258  135.429 4.7540  0.8137054      8.154849  
1 1 1 5   29  25 f 69.024  2.7424  2590.55    205.023  2757.10    252.895  2271.17    350.191  71.147  3.2818  64.124  5.0838  7.022842       6.051070  
1 1 1 5   29  26 o 95.714  3.6732  5006.08    380.796  4909.78    673.781  5051.27    461.583  93.606  6.6899  95.946  4.4417  -2.340797      8.030149  
1 1 1 5   29  27 o 28.923  7.4800  491.006    236.072  300.659    440.044  567.927    279.734  26.787  10.469  30.987  8.2052  -4.200710      13.30139  
1 1 1 5   29  28 o 23.362  7.8072  302.568    232.051  282.719    433.958  310.516    274.609  26.113  10.337  24.116  8.4791  1.996363       13.36998  
1 1 1 5   29  29 o 21.918  1.6283  262.455    38.379   -156.3622  434.114  265.754    38.530   20.171  9.1552  22.057  1.6242  -1.885420      9.298121  
1 1 1 5   29  30 o 19.739  7.7518  159.685    242.215  337.730    436.513  80.477     291.149  26.363  10.389  19.429  8.1644  6.933718       13.21358  
1 1 1 5   29  31 f 21.458  8.0560  244.088    253.630  56.915     453.581  329.235    305.927  22.071  9.7305  23.975  8.8776  -1.903801      13.17174  
1 1 1 5   29  32 o 24.307  1.3653  322.718    35.798   0.0000     0.0000   322.718    35.798   ?       ?       24.307  1.3653  0.000000       1.365274  
1 1 1 5   29  33 o 37.863  11.210  1171.24    492.215  0.0000     0.0000   1171.24    492.215  ?       ?       37.863  11.210  0.000000       11.21015  
1 1 1 5   29  34 o 43.102  2.3261  1031.11    108.189  0.0000     0.0000   1031.11    108.189  ?       ?       43.102  2.3261  0.000000       2.326113  
1 1 1 5   29  35 o 20.396  9.4172  96.350     486.414  0.0000     0.0000   96.350     486.414  ?       ?       20.396  9.4172  0.000000       9.417223  
1 1 1 5   30  0  o 329.830 5.2302  58937.91   1868.43  61809.32   2642.88  56068.78   2641.83  337.707 7.2255  321.630 7.5836  16.07687       10.47470  
1 1 1 5   30  1  o 403.650 7.8541  88317.49   3433.75  88520.59   5945.28  88215.84   4206.23  403.745 13.595  403.324 9.6287  0.4205017      16.65982  
1 1 1 5   30  2  o 310.196 6.9115  52146.46   2322.10  53242.28   3642.52  51396.21   3013.95  313.279 10.735  307.878 9.0383  5.401367       14.03320  
1 1 1 5   30  3  o 102.353 2.5978  5673.99    287.987  5639.17    407.012  5708.90    407.538  102.033 3.6829  102.662 3.6651  -0.6289368     5.195872  
1 1 1 5   30  4  o 215.892 3.9200  25247.49   916.617  25803.37   1298.22  24694.89   1294.37  218.230 5.4924  213.489 5.5978  4.740845       7.842293  
1 1 1 5   30  5  o 228.611 4.8063  28313.96   1190.08  28361.62   2057.49  28290.00   1458.89  228.716 8.3056  228.492 5.8950  0.2238007      10.18499  
1 1 1 5   30  6  o 298.388 10.493  48311.64   3391.29  0.0000     0.0000   48311.64   3391.29  ?       ?       298.388 10.493  0.000000       10.49332  
1 1 1 5   30  7  o 514.668 9.8035  143714.50  5464.83  150046.20  9471.23  140554.50  6690.94  524.966 16.657  508.726 12.143  16.23938       20.61368  
1 1 1 5   30  8  o 459.264 10.961  114527.90  5452.20  110057.80  7711.43  118996.00  7709.71  449.568 15.837  467.564 15.224  -17.99670      21.96758  
1 1 1 5   30  9  o 366.553 9.9263  72950.91   3940.90  76822.59   4741.98  64306.13   7085.76  375.973 11.645  342.430 19.182  33.54355       22.44001  
1 1 1 5   30  10 o 121.008 4.3105  7934.50    564.950  7875.05    781.296  7999.63    817.879  120.522 5.9852  121.305 6.2462  -0.7832413     8.650866  
1 1 1 5   30  11 o 143.040 3.1852  11084.61   493.474  10455.90   995.638  11289.36   568.172  138.839 6.6210  144.347 3.6341  -5.508759      7.552746  
1 1 1 5   30  12 o 220.095 4.4161  26256.44   1052.73  25650.20   1983.09  26494.32   1242.22  217.291 8.4262  221.053 5.1884  -3.762222      9.895427  
1 1 1 5   30  13 o 132.099 3.1023  9454.95    443.865  8935.66    870.379  9637.47    516.007  128.321 6.2624  133.357 3.5725  -5.035858      7.209705  
1 1 1 5   30  14 o 20.293  5.7132  229.351    130.896  -48.3833   243.873  341.741    155.135  16.597  7.2307  24.604  5.8981  -8.007061      9.331158  
1 1 1 5   30  15 o 173.884 3.6679  16389.11   690.793  17113.16   1307.11  16108.51   813.713  177.486 6.7995  172.356 4.3589  5.129395       8.076699  
1 1 1 5   30  16 o 305.592 6.1907  50720.59   2049.06  47346.42   3545.58  52412.67   2510.82  294.304 11.123  310.443 7.4673  -16.13922      13.39706  
1 1 1 5   30  17 o 124.946 3.0713  8461.17    415.644  7639.42    819.487  8745.79    482.281  118.394 6.4145  127.015 3.5057  -8.620857      7.310009  
1 1 1 5   30  18 o 135.385 3.2718  9936.28    479.772  9892.31    936.642  9951.91    558.622  134.892 6.4109  135.468 3.8073  -0.5754852     7.456159  
1 1 1 5   30  19 o 335.214 6.2394  61117.21   2265.35  58223.14   6230.70  61558.06   2431.78  321.716 17.953  336.315 6.6759  -14.59924      19.15373  
1 1 1 5   30  20 o 43.850  2.2643  1044.81    107.173  843.150    387.690  1061.50    111.518  38.475  9.3867  44.195  2.3380  -5.720364      9.673449  
1 1 1 5   30  21 o 204.863 3.9727  22789.94   881.498  21207.63   1752.02  23326.25   1020.01  196.753 8.2214  207.173 4.5457  -10.42026      9.394419  
1 1 1 5   30  22 f 108.127 3.0592  6345.60    358.273  7176.70    705.400  6056.67    415.912  114.681 5.6790  105.589 3.6367  9.092171       6.743673  
1 1 1 5   30  23 o 129.190 3.1609  9068.04    442.291  8542.51    872.798  9249.63    513.044  124.578 6.4909  130.409 3.6323  -5.830925      7.438104  
1 1 1 5   30  24 o 68.424  3.4421  2555.04    254.278  2631.44    512.832  2530.13    292.806  68.638  6.9960  67.999  3.9932  0.6398315      8.055422  
1 1 1 5   30  25 o 35.758  1.5107  693.310    58.509   657.744    83.862   727.043    81.671   34.731  2.2413  36.539  2.0722  -1.808056      3.052441  
1 1 1 5   30  26 o 98.630  3.2114  5305.62    343.066  5402.31    691.587  5274.06    395.105  98.242  6.5368  98.219  3.7140  0.2308655E-01  7.518233  
1 1 1 5   30  27 o 122.319 3.1237  8168.17    413.837  9456.94    798.666  7695.14    483.860  130.430 5.6535  118.507 3.7697  11.92278       6.795027  
1 1 1 5   30  28 o 126.390 3.3217  8750.50    454.717  8903.47    912.032  8699.89    524.565  125.121 6.7550  125.778 3.8506  -0.6570053     7.775373  
1 1 1 5   30  29 o 69.484  4.0002  2676.34    299.776  1689.56    557.880  3076.93    355.454  51.819  10.303  74.325  4.4357  -22.50601      11.21697  
1 1 1 5   30  30 o 4.3538  2.1318  -65.8947   33.813   -52.6380   432.655  -65.9761   33.916   20.984  9.3626  4.3629  2.1361  16.62068       9.603172  
1 1 1 5   30  31 o 34.356  6.8120  721.850    244.530  1128.02    478.276  578.103    284.530  40.063  10.784  29.901  8.4249  10.16191       13.68459  
1 1 1 5   30  32 o 22.874  8.6978  316.953    297.875  0.0000     0.0000   316.953    297.875  ?       ?       22.874  8.6978  0.000000       8.697836  
1 1 1 5   30  33 o 23.784  10.242  312.883    477.895  0.0000     0.0000   312.883    477.895  ?       ?       23.784  10.242  0.000000       10.24158  
1 1 1 5   30  34 o 19.170  8.9913  -72.0071   471.709  0.0000     0.0000   -72.0071   471.709  ?       ?       19.170  8.9913  0.000000       8.991323  
1 1 1 5   30  35 o 20.286  9.2611  122.936    452.530  0.0000     0.0000   122.936    452.530  ?       ?       20.286  9.2611  0.000000       9.261055  
1 1 1 5   31  0  o 257.948 4.4263  36043.93   1236.65  36508.56   1749.20  35579.63   1748.57  259.568 6.2218  256.242 6.3003  3.325409       8.854650  
1 1 1 5   31  1  o 281.205 4.7336  42838.51   1441.74  44077.51   2039.43  41600.73   2038.43  285.197 6.6023  277.063 6.7928  8.134033       9.472703  
1 1 1 5   31  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   31  3  o 828.042 27.433  375725.09  24603.81 0.0000     0.0000   375725.09  24603.81 ?       ?       828.042 27.433  0.000000       27.43342  
1 1 1 5   31  4  o 774.393 25.670  328261.41  21530.39 0.0000     0.0000   328261.41  21530.39 ?       ?       774.393 25.670  0.000000       25.66968  
1 1 1 5   31  5  o 732.109 17.230  291747.81  13662.42 298373.00  19318.86 285118.91  19324.30 738.563 24.150  721.802 24.718  16.76111       34.55756  
1 1 1 5   31  6  o 394.289 9.5549  84333.35   4080.48  82858.94   5775.14  85803.22   5766.22  390.486 13.655  397.388 13.397  -6.902557      19.12939  
1 1 1 5   31  7  o 299.348 10.567  48638.21   3426.13  48638.21   3426.13  0.0000     0.0000   299.348 10.567  ?       ?       0.000000       10.56712  
1 1 1 5   31  8  o 208.790 6.1489  23629.04   1390.52  24885.43   1737.20  21388.64   2319.79  214.223 7.4871  198.165 10.849  16.05786       13.18198  
1 1 1 5   31  9  o 253.905 6.5289  34953.86   1795.48  34551.16   2541.29  35355.25   2537.11  252.286 9.3002  255.212 9.1784  -2.926727      13.06663  
1 1 1 5   31  10 o 159.311 3.3144  13749.58   571.901  13901.14   1152.94  13700.12   658.643  160.101 6.6488  159.015 3.8242  1.085480       7.670146  
1 1 1 5   31  11 f 387.257 7.1543  81377.54   3000.82  77501.34   5569.04  82963.45   3562.19  376.935 13.641  390.864 8.4144  -13.92850      16.02736  
1 1 1 5   31  12 o 417.509 7.0702  94619.93   3197.17  96719.66   6397.48  93920.94   3691.16  420.680 14.041  415.798 8.1962  4.882172       16.25781  
1 1 1 5   31  13 o 557.848 9.2695  169304.30  5600.73  161957.09  11202.67 171752.59  6466.93  541.595 19.098  561.460 10.634  -19.86542      21.85872  
1 1 1 5   31  14 o 123.456 3.0296  8258.64    405.106  7245.36    792.561  8617.00    471.328  115.349 6.3684  126.095 3.4511  -10.74621      7.243404  
1 1 1 5   31  15 o 238.453 4.3979  30833.70   1135.84  29962.02   2268.81  31125.25   1312.11  234.569 8.9301  239.526 5.0576  -4.956924      10.26288  
1 1 1 5   31  16 o 177.799 4.1608  17142.63   801.269  17517.65   1384.03  16953.57   982.704  179.502 7.1188  176.754 5.1331  2.748322       8.776461  
1 1 1 5   31  17 o 15.664  5.9617  92.082     140.020  265.715    256.915  18.717     167.001  23.470  8.2042  14.825  6.2038  8.645095       10.28569  
1 1 1 5   31  18 o 148.586 3.3354  11969.12   536.771  12106.54   1066.79  11922.53   621.126  149.203 6.6014  148.269 3.8678  0.9337311      7.650978  
1 1 1 5   31  19 o 175.538 3.6091  16711.68   686.180  16543.28   1364.20  16768.71   793.920  174.265 7.2277  175.794 4.1697  -1.528427      8.344204  
1 1 1 5   31  20 o 157.181 3.4321  13401.33   584.283  13044.76   1157.45  13523.27   676.853  154.691 6.9082  157.852 3.9589  -3.160446      7.962193  
1 1 1 5   31  21 o 64.061  3.3950  2233.27    234.725  1719.35    443.462  2433.28    276.656  55.566  7.5651  66.833  3.8380  -11.26713      8.482961  
1 1 1 5   31  22 o 71.598  3.2251  2783.31    250.103  2048.33    472.827  3068.85    294.706  60.671  7.3449  75.156  3.6204  -14.48437      8.188716  
1 1 1 5   31  23 o 53.982  3.5275  1591.52    205.114  1136.39    391.242  1764.02    240.870  44.586  8.4101  56.788  3.9405  -12.20179      9.287463  
1 1 1 5   31  24 o 59.629  3.7835  1945.69    243.090  1870.64    479.996  1971.58    281.918  57.468  7.9221  59.923  4.3739  -2.454121      9.049348  
1 1 1 5   31  25 o 66.189  2.5811  2381.34    185.039  2472.61    237.747  2241.11    294.699  67.371  3.2581  63.864  4.2853  3.507622       5.383227  
1 1 1 5   31  26 o 29.874  1.7135  485.901    55.211   1124.94    412.616  474.251    55.712   43.634  9.0284  29.509  1.7509  14.12510       9.196602  
1 1 1 5   31  27 o 54.817  2.5332  1636.19    150.403  1543.35    176.916  1878.18    285.634  53.081  3.0906  58.207  4.5673  -5.126381      5.514730  
1 1 1 5   31  28 o 70.630  3.5569  2744.68    271.232  2798.87    550.876  2727.34    311.622  69.550  7.4277  70.221  4.1152  -0.6706619     8.491527  
1 1 1 5   31  29 o 69.182  3.8626  2649.99    288.272  2396.03    548.591  2746.87    338.821  63.432  8.1752  70.177  4.4811  -6.745029      9.322793  
1 1 1 5   31  30 f 5.3334  2.4493  -23.6175   32.288   -261.7433  419.780  -22.2003   32.384   18.540  8.6252  5.3936  2.4681  13.14663       8.971400  
1 1 1 5   31  31 o 18.034  7.5376  91.142     246.115  186.822    437.832  46.942     297.581  23.207  9.8929  18.568  8.0383  4.638632       12.74695  
1 1 1 5   31  32 o 40.231  7.9629  1060.85    334.696  0.0000     0.0000   1060.85    334.696  ?       ?       40.231  7.9629  0.000000       7.962865  
1 1 1 5   31  33 o 24.963  10.197  423.595    436.701  0.0000     0.0000   423.595    436.701  ?       ?       24.963  10.197  0.000000       10.19716  
1 1 1 5   31  34 o 17.785  8.5342  -263.1303  475.051  0.0000     0.0000   -263.1303  475.051  ?       ?       17.785  8.5342  0.000000       8.534229  
1 1 1 5   31  35 o 33.971  11.059  1058.32    466.648  0.0000     0.0000   1058.32    466.648  ?       ?       33.971  11.059  0.000000       11.05869  
1 1 1 5   32  0  o 490.030 8.2545  130179.00  4381.09  132040.30  6196.19  128318.30  6195.40  493.269 11.598  486.252 11.764  7.016479       16.51927  
1 1 1 5   32  1  o 461.359 7.6713  115375.90  3833.35  118790.10  5421.69  111963.00  5420.67  467.934 10.697  454.264 11.017  13.66995       15.35630  
1 1 1 5   32  2  o 827.800 27.426  375501.50  24589.63 0.0000     0.0000   375501.50  24589.63 ?       ?       827.800 27.426  0.000000       27.42562  
1 1 1 5   32  3  o 588.551 13.663  188157.70  8709.70  203419.00  12319.10 172905.00  12315.65 611.165 18.610  563.185 20.190  47.97913       27.45857  
1 1 1 5   32  4  o 303.215 5.9068  49819.19   1939.86  47952.18   3354.95  50756.87   2377.60  297.294 10.419  306.012 7.1735  -8.718262      12.64977  
1 1 1 5   32  5  o 346.197 8.4192  64988.39   3156.93  66123.02   4465.33  63854.52   4463.82  348.992 11.813  342.939 12.018  6.053619       16.85160  
1 1 1 5   32  6  o 709.579 16.930  274177.91  13011.83 274177.91  13011.83 0.0000     0.0000   709.579 16.930  ?       ?       0.000000       16.93042  
1 1 1 5   32  7  o 645.490 15.123  226757.09  10572.94 227769.70  14953.61 225744.91  14951.18 645.343 21.394  642.441 21.487  2.902283       30.32116  
1 1 1 5   32  8  o 476.825 11.352  123527.50  5862.71  120368.30  8292.17  126685.10  8290.06  469.884 16.293  482.137 15.875  -12.25281      22.74838  
1 1 1 5   32  9  o 58.847  2.7007  1875.76    172.134  1693.19    377.186  1923.79    193.454  55.517  6.3893  59.518  3.0108  -4.000507      7.063138  
1 1 1 5   32  10 o 434.743 7.2650  102540.00  3420.88  103992.70  6846.15  102056.60  3949.24  436.640 14.476  433.584 8.4095  3.055542       16.74153  
1 1 1 5   32  11 o 112.116 2.8380  6809.56    344.623  6961.79    704.468  6761.67    395.131  113.157 5.7670  111.715 3.2656  1.442024       6.627408  
1 1 1 5   32  12 o 326.617 5.6763  57862.72   2008.05  59222.18   4019.10  57410.46   2318.12  329.676 11.256  325.251 6.5803  4.425446       13.03804  
1 1 1 5   32  13 o 316.426 5.5273  54314.52   1894.32  52971.56   3791.37  54761.31   2186.85  311.669 11.231  317.638 6.3565  -5.969116      12.90534  
1 1 1 5   32  14 o 106.690 2.8497  6167.54    329.300  5904.63    663.232  6253.56    379.363  104.137 5.9045  107.423 3.2605  -3.286079      6.744907  
1 1 1 5   32  15 o 49.443  3.3839  1331.16    180.124  823.853    332.019  1542.73    214.421  38.181  8.2681  53.216  3.7440  -15.03441      9.076229  
1 1 1 5   32  16 o 39.305  1.9591  836.906    83.402   830.928    89.109   879.145    236.869  39.107  2.1116  39.849  5.6461  -0.7419739     6.027996  
1 1 1 5   32  17 f 238.398 4.3588  30828.91   1125.49  28843.61   2240.79  31498.74   1301.58  229.980 8.9958  240.913 4.9882  -10.93291      10.28623  
1 1 1 5   32  18 o 220.143 4.4247  26296.28   1055.02  26103.87   2698.24  26331.01   1146.27  217.836 11.477  220.250 4.8051  -2.413589      12.44196  
1 1 1 5   32  19 o 196.917 4.0877  21039.79   871.820  22348.07   1645.13  20528.90   1028.05  202.487 7.5013  194.432 4.8818  8.054916       8.949880  
1 1 1 5   32  20 o 255.895 4.6752  35573.01   1295.79  34568.52   2586.24  35909.69   1497.28  251.031 9.5120  256.974 5.3795  -5.942322      10.92780  
1 1 1 5   32  21 o 105.847 3.0452  6077.94    349.118  6586.62    691.620  5904.01    404.425  109.780 5.8377  104.287 3.5805  5.492706       6.848209  
1 1 1 5   32  22 o 128.236 3.1776  8928.95    441.341  8848.16    867.168  8957.19    512.710  127.168 6.2959  128.380 3.6873  -1.212425      7.296147  
1 1 1 5   32  23 o 35.107  2.2588  671.449    85.434   1007.46    428.577  657.544    87.184   41.644  9.6848  34.734  2.3310  6.910522       9.961364  
1 1 1 5   32  24 o 99.424  3.2009  5379.00    344.696  4391.62    682.106  5717.62    399.452  88.727  7.1588  102.441 3.6001  -13.71438      8.013078  
1 1 1 5   32  25 o 28.166  2.3544  433.991    71.167   389.579    74.483   899.750    241.207  26.642  2.6149  40.003  5.7308  -13.36065      6.299175  
1 1 1 5   32  26 o 184.190 3.8074  18563.55   759.571  17672.59   1511.85  18864.38   878.495  176.739 7.8978  185.371 4.3755  -8.631851      9.028852  
1 1 1 5   32  27 o 18.451  1.7006  186.388    33.603   154.838    283.333  186.838    33.842   21.012  8.3419  18.472  1.7109  2.540066       8.515546  
1 1 1 5   32  28 o 29.420  6.2007  504.879    191.355  694.339    423.091  456.157    214.553  33.591  10.485  27.755  7.1065  5.836374       12.66661  
1 1 1 5   32  29 o 26.441  1.4425  380.773    41.154   397.405    414.954  380.608    41.358   27.356  10.298  26.435  1.4500  0.9218082      10.39927  
1 1 1 5   32  30 o 18.157  7.1593  129.893    207.369  267.410    297.450  -0.1467    289.251  22.970  8.7018  18.018  7.8615  4.951611       11.72710  
1 1 1 5   32  31 o 38.893  2.3061  832.228    96.712   809.782    101.068  1075.93    333.016  38.325  2.4476  41.334  7.7225  -3.008724      8.101109  
1 1 1 5   32  32 o 22.442  9.4787  232.796    395.664  0.0000     0.0000   232.796    395.664  ?       ?       22.442  9.4787  0.000000       9.478651  
1 1 1 5   32  33 o 23.219  10.051  284.606    465.156  0.0000     0.0000   284.606    465.156  ?       ?       23.219  10.051  0.000000       10.05091  
1 1 1 5   32  34 o 27.513  10.659  654.183    453.043  0.0000     0.0000   654.183    453.043  ?       ?       27.513  10.659  0.000000       10.65874  
1 1 1 5   33  0  o 590.494 11.517  189225.91  7365.79  190181.20  9020.58  187314.30  12759.72 591.677 14.076  586.252 20.095  5.425598       24.53448  
1 1 1 5   33  1  o 235.608 4.6106  30072.39   1176.56  31012.66   1792.03  29359.99   1559.84  239.212 6.9166  232.769 6.1871  6.443359       9.280033  
1 1 1 5   33  2  o 243.674 4.3969  32165.82   1160.44  33550.82   1642.36  30785.06   1639.85  248.829 6.0940  238.346 6.3522  10.48289       8.802689  
1 1 1 5   33  3  o 229.702 4.7261  28584.60   1175.80  27264.09   2028.77  29252.49   1442.83  224.244 8.3530  232.349 5.7333  -8.105255      10.13126  
1 1 1 5   33  4  o 352.800 7.0202  67464.09   2682.56  69514.53   4643.02  66436.67   3286.62  357.826 11.980  350.024 8.6693  7.801880       14.78776  
1 1 1 5   33  5  o 807.300 22.495  356272.19  19669.11 356272.19  19669.11 0.0000     0.0000   807.300 22.495  ?       ?       0.000000       22.49465  
1 1 1 5   33  6  o 623.263 20.768  212217.91  14019.31 212217.91  14019.31 0.0000     0.0000   623.263 20.768  ?       ?       0.000000       20.76753  
1 1 1 5   33  7  o 303.439 7.5440  49929.34   2479.37  50196.40   3508.47  49662.93   3504.26  304.051 10.654  302.427 10.698  1.623291       15.09802  
1 1 1 5   33  8  o 440.154 7.9556  105096.20  3792.70  105353.00  7029.46  104990.70  4504.63  439.783 14.758  439.780 9.4570  0.3204346E-02  17.52769  
1 1 1 5   33  9  o 55.781  2.7481  1685.44    166.029  1661.82    367.620  1691.49    186.089  55.005  6.2834  55.793  3.0915  -0.7887650     7.002707  
1 1 1 5   33  10 o 400.769 6.7812  87128.14   2943.55  87767.63   5891.69  86915.42   3398.03  401.230 13.557  400.167 7.8400  1.063232       15.66106  
1 1 1 5   33  11 o 307.674 5.3601  51328.82   1786.22  54310.28   3577.45  50338.70   2061.59  315.933 10.455  304.624 6.2484  11.30893       12.17957  
1 1 1 5   33  12 o 341.399 5.9253  63231.79   2191.01  61910.86   4385.81  63671.09   2529.24  336.887 12.020  342.485 6.8183  -5.598083      13.81897  
1 1 1 5   33  13 o 151.601 3.3074  12454.14   543.069  12992.62   1091.06  12276.79   626.143  154.706 6.5114  150.501 3.8412  4.204346       7.559928  
1 1 1 5   33  14 f 261.968 4.6981  37218.61   1333.03  37266.50   2668.67  37202.70   1538.75  261.571 9.4196  261.850 5.4256  -0.2783203     10.87044  
1 1 1 5   33  15 o 153.617 3.3571  12790.12   558.571  12224.17   1100.46  12986.53   648.290  149.992 6.7739  154.772 3.8673  -4.779221      7.800079  
1 1 1 5   33  16 o 254.468 5.8612  35163.69   1615.43  32375.77   2552.68  37026.07   2086.36  243.598 9.6750  260.910 7.3829  -17.31206      12.17017  
1 1 1 5   33  17 o 252.779 4.9484  34678.33   1354.80  28800.38   3275.33  35891.61   1488.07  228.471 13.293  257.117 5.3435  -28.64673      14.32716  
1 1 1 5   33  18 o 108.568 3.0909  6389.50    363.458  5959.62    685.528  6557.59    428.666  104.531 6.0812  109.968 3.5990  -5.436676      7.066410  
1 1 1 5   33  19 o 197.870 3.8806  21240.99   831.657  20424.74   1656.37  21516.13   961.663  193.488 7.9037  199.090 4.4597  -5.602234      9.075127  
1 1 1 5   33  20 o 127.686 3.1472  8842.34    435.248  7846.28    882.444  9162.56    500.344  119.761 6.8313  129.951 3.5548  -10.18963      7.700880  
1 1 1 5   33  21 o 185.450 3.8758  18680.29   778.491  17866.49   1476.34  18993.72   916.227  180.621 7.5465  186.899 4.5261  -6.278030      8.799747  
1 1 1 5   33  22 o 96.284  2.8455  5031.60    296.746  4997.65    609.942  5042.13    339.653  95.430  5.9305  96.352  3.2546  -0.9223557     6.764840  
1 1 1 5   33  23 o 65.837  3.3823  2363.52    240.374  2466.68    506.577  2333.54    273.073  66.498  7.1454  65.347  3.8755  1.151474       8.128769  
1 1 1 5   33  24 o 83.247  2.8015  3767.19    252.594  3932.29    588.803  3729.95    279.633  84.118  6.5134  82.797  3.1182  1.321297       7.221333  
1 1 1 5   33  25 f 101.692 2.8160  5626.57    310.160  5478.42    577.656  5686.59    367.651  99.594  5.3750  102.139 3.3233  -2.545105      6.319411  
1 1 1 5   33  26 o 87.849  3.2376  4211.33    308.052  4008.23    623.041  4277.05    354.403  84.338  6.8806  88.430  3.7002  -4.091415      7.812419  
1 1 1 5   33  27 o 17.084  6.8355  89.660     191.671  224.680    397.786  48.833     218.738  24.687  9.8579  17.085  7.1206  7.601768       12.16060  
1 1 1 5   33  28 o 39.239  5.2122  872.322    216.036  1001.24    441.437  831.722    247.729  40.041  10.162  37.947  6.2447  2.094254       11.92709  
1 1 1 5   33  29 o 37.963  0.8800  781.265    36.184   321.112    410.632  784.866    36.325   25.958  10.122  38.050  0.8814  -12.09152      10.16037  
1 1 1 5   33  30 o 27.604  1.8467  416.849    54.893   413.238    55.773   528.609    310.279  27.478  1.8854  29.025  8.9660  -1.546371      9.162104  
1 1 1 5   33  31 o 20.561  7.8862  220.176    246.201  483.428    434.218  95.445     298.889  27.345  10.477  19.220  8.1831  8.125450       13.29380  
1 1 1 5   33  32 o 49.606  9.0180  1679.25    466.677  0.0000     0.0000   1679.25    466.677  ?       ?       49.606  9.0180  0.000000       9.017956  
1 1 1 5   33  33 o 22.458  9.6307  262.631    419.395  0.0000     0.0000   262.631    419.395  ?       ?       22.458  9.6307  0.000000       9.630712  
1 1 1 5   33  34 o 26.501  10.761  604.288    482.749  0.0000     0.0000   604.288    482.749  ?       ?       26.501  10.761  0.000000       10.76129  
1 1 1 5   34  0  o 115.928 2.7231  7278.96    341.919  7524.48    482.703  7031.72    484.394  117.860 3.7813  113.935 3.9253  3.925560       5.450349  
1 1 1 5   34  1  o 611.502 11.613  202956.30  7691.39  196785.91  9419.22  215303.20  13324.07 601.767 14.452  628.542 19.572  -26.77496      24.32915  
1 1 1 5   34  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   34  3  o 380.752 7.5644  78588.25   3119.52  83685.88   5399.77  76034.63   3821.82  392.551 12.700  374.412 9.4243  18.13901       15.81494  
1 1 1 5   34  4  f 351.717 12.113  67172.05   4614.40  67172.05   4614.40  0.0000     0.0000   351.717 12.113  ?       ?       0.000000       12.11302  
1 1 1 5   34  5  o 199.785 7.7622  21641.10   1679.65  21641.10   1679.65  0.0000     0.0000   199.785 7.7622  ?       ?       0.000000       7.762185  
1 1 1 5   34  6  o 329.824 8.1204  58996.71   2900.87  58016.26   4104.14  59975.56   4100.77  326.828 11.594  332.318 11.393  -5.489563      16.25494  
1 1 1 5   34  7  o 425.593 8.4033  98263.30   3873.57  95616.23   6713.19  99584.49   4742.74  419.050 14.791  428.263 10.225  -9.213623      17.98090  
1 1 1 5   34  8  f 301.851 5.3173  49382.69   1738.42  50249.90   3483.94  49095.19   2005.99  304.128 10.577  300.930 6.1545  3.198090       12.23690  
1 1 1 5   34  9  o 514.362 8.6497  143630.00  4818.80  132283.09  9641.14  147408.50  5563.58  491.588 18.107  520.892 9.8614  -29.30331      20.61858  
1 1 1 5   34  10 o 138.897 3.0789  10451.64   463.192  10100.35   938.006  10564.93   532.666  136.461 6.3464  139.640 3.5219  -3.178497      7.258124  
1 1 1 5   34  11 o 230.165 4.4986  28715.72   1121.46  30245.44   2112.16  28115.17   1323.41  235.957 8.2646  227.701 5.3661  8.256393       9.853889  
1 1 1 5   34  12 o 255.475 4.5981  35384.51   1272.32  38941.60   2552.87  34208.97   1467.57  267.616 8.8074  251.143 5.3952  16.47278       10.32852  
1 1 1 5   34  13 o 114.960 2.9416  7160.73    366.273  6903.98    741.609  7243.56    421.233  112.622 6.1025  115.614 3.3639  -2.992409      6.968201  
1 1 1 5   34  14 o 149.140 3.2662  12054.16   527.609  12573.25   1061.04  11883.65   608.122  152.162 6.4381  148.063 3.7920  4.098770       7.471841  
1 1 1 5   34  15 o 66.092  2.3998  2366.60    171.789  1881.98    406.653  2471.87    189.531  58.499  6.5295  67.544  2.5908  -9.044960      7.024701  
1 1 1 5   34  16 o 96.121  3.3205  5008.03    345.690  4668.75    589.898  5185.49    426.621  92.531  5.9170  97.789  4.0279  -5.257942      7.157852  
1 1 1 5   34  17 o 285.724 5.0924  44314.87   1575.95  43877.64   3144.61  44461.51   1821.15  283.302 10.248  286.085 5.8773  -2.782928      11.81393  
1 1 1 5   34  18 o 39.119  1.6176  828.947    68.536   546.250    312.758  843.207    70.243   31.231  8.8447  39.453  1.6438  -8.222616      8.996134  
1 1 1 5   34  19 o 162.288 3.4340  14283.98   603.607  11883.32   1181.43  15131.99   702.169  147.447 7.4215  167.003 3.8819  -19.55527      8.375444  
1 1 1 5   34  20 o 107.754 3.0410  6296.97    354.916  6325.69    696.553  6286.90    412.476  107.610 6.0001  107.640 3.5380  -0.2970886E-01 6.965542  
1 1 1 5   34  21 o 145.268 3.3380  11455.00   525.203  11290.40   1032.18  11512.50   610.086  143.729 6.6304  145.574 3.8693  -1.845169      7.676846  
1 1 1 5   34  22 o 25.668  6.3056  375.066    174.036  205.149    321.264  445.642    207.048  23.371  8.9975  27.951  6.8845  -4.579987      11.32926  
1 1 1 5   34  23 o 166.982 3.5443  15174.45   641.020  16127.35   1291.69  14863.09   738.357  170.944 6.9764  165.115 4.1287  5.828979       8.106554  
1 1 1 5   34  24 o 145.255 3.3816  11491.24   532.014  11337.43   1061.29  11542.86   614.846  143.029 6.8508  145.444 3.9030  -2.415421      7.884607  
1 1 1 5   34  25 o 60.532  2.4615  1991.61    161.379  2033.25    201.077  1916.26    270.518  61.102  3.0383  59.011  4.2611  2.091171       5.233387  
1 1 1 5   34  26 o 154.819 3.5739  13103.63   599.294  13962.00   1170.42  12798.62   697.694  157.840 6.8463  152.725 4.2178  5.115448       8.041216  
1 1 1 5   34  27 o 69.309  3.6077  2639.49    269.894  3216.82    534.480  2441.88    312.689  75.314  6.6193  66.433  4.3701  8.881966       7.931795  
1 1 1 5   34  28 o 29.598  6.6253  515.589    207.095  864.487    426.966  408.254    236.818  37.152  10.268  26.285  7.7742  10.86751       12.87928  
1 1 1 5   34  29 o 22.032  7.7057  263.503    226.658  136.094    419.464  316.045    269.369  23.255  9.7873  23.914  8.3984  -0.6593609     12.89669  
1 1 1 5   34  30 o 43.950  1.3181  1049.21    62.743   161.313    454.147  1066.48    63.350   23.752  10.099  44.310  1.3200  -20.55808      10.18514  
1 1 1 5   34  31 o 34.235  7.3429  741.664    264.113  561.881    459.209  830.533    322.857  28.587  10.816  35.433  8.5179  -6.845331      13.76763  
1 1 1 5   34  32 o 21.975  9.5256  180.610    418.978  0.0000     0.0000   180.610    418.978  ?       ?       21.975  9.5256  0.000000       9.525583  
1 1 1 5   34  33 o 19.057  8.7362  -14.9894   408.249  0.0000     0.0000   -14.9894   408.249  ?       ?       19.057  8.7362  0.000000       8.736222  
1 1 1 5   34  34 o 22.556  10.008  290.250    487.354  0.0000     0.0000   290.250    487.354  ?       ?       22.556  10.008  0.000000       10.00803  
1 1 1 5   35  0  o 48.780  1.7615  1288.67    93.065   1140.29    236.275  1315.92    101.250  45.620  4.8565  49.292  1.8965  -3.672817      5.213677  
1 1 1 5   35  1  o 615.090 14.542  205633.00  9688.14  210153.00  13697.74 201108.50  13704.46 620.733 20.374  607.129 20.841  13.60400       29.14492  
1 1 1 5   35  2  o 400.667 7.9735  87034.65   3460.20  91472.99   5990.28  84812.18   4238.91  410.331 13.479  395.399 9.8980  14.93210       16.72248  
1 1 1 5   35  3  o 119.496 5.6695  7737.53    733.783  7737.53    733.783  0.0000     0.0000   119.496 5.6695  ?       ?       0.000000       5.669484  
1 1 1 5   35  4  o 223.984 8.3896  27205.83   2035.30  27205.83   2035.30  0.0000     0.0000   223.984 8.3896  ?       ?       0.000000       8.389585  
1 1 1 5   35  5  o 442.082 10.561  106086.80  5056.88  105221.20  7152.82  106951.80  7150.20  439.751 15.018  443.370 14.890  -3.619354      21.14775  
1 1 1 5   35  6  o 352.286 8.5771  67325.84   3272.71  68380.63   4630.27  66272.84   4626.35  354.737 12.051  349.209 12.232  5.527954       17.17100  
1 1 1 5   35  7  o 243.266 5.0531  32069.87   1331.40  34583.00   2313.21  30824.93   1628.10  252.463 8.4596  238.452 6.3039  14.01082       10.55005  
1 1 1 5   35  8  o 576.423 9.4851  180429.00  5921.79  179265.91  11848.05 180816.20  6837.03  572.182 19.118  576.781 10.944  -4.598755      22.02894  
1 1 1 5   35  9  o 366.419 6.2517  72810.16   2481.11  76769.33   4968.29  71494.73   2863.77  375.525 12.215  363.005 7.2837  12.51996       14.22189  
1 1 1 5   35  10 o 180.177 3.7573  17591.04   733.230  18050.36   1403.36  17418.57   859.942  182.378 7.1044  179.271 4.4288  3.106522       8.371784  
1 1 1 5   35  11 o 296.323 5.2778  47615.45   1693.89  42902.06   3391.88  49181.54   1955.15  280.627 11.159  301.098 5.9952  -20.47122      12.66786  
1 1 1 5   35  12 o 160.768 3.3615  14005.55   585.334  13618.91   1183.67  14130.71   673.438  158.378 6.9002  161.469 3.8507  -3.090378      7.901960  
1 1 1 5   35  13 o 273.539 4.8749  40579.49   1444.29  40801.09   2894.26  40506.01   1666.64  273.690 9.7636  273.225 5.6318  0.4645691      11.27143  
1 1 1 5   35  14 o 75.595  2.4666  3096.01    201.962  2993.07    472.753  3118.99    223.370  74.017  5.9472  75.871  2.7182  -1.854637      6.538980  
1 1 1 5   35  15 o 304.992 6.2103  50521.00   2051.50  50816.29   3552.60  50373.27   2512.81  305.004 10.754  304.323 7.6235  0.6805725      13.18206  
1 1 1 5   35  16 o 52.263  3.9554  1489.54    222.241  1449.56    357.138  1514.81    283.909  51.227  6.5895  52.593  5.0460  -1.365234      8.299600  
1 1 1 5   35  17 o 200.773 3.8920  21860.40   846.344  19824.56   1678.98  22553.93   979.955  190.747 8.1268  203.890 4.4375  -13.14278      9.259380  
1 1 1 5   35  18 o 98.876  3.0276  5299.76    324.232  4008.97    610.506  5806.86    382.657  85.582  6.6382  103.485 3.4140  -17.90328      7.464653  
1 1 1 5   35  19 o 206.709 3.9472  23186.37   883.736  20468.13   1745.79  24122.89   1024.73  193.543 8.3281  210.780 4.4886  -17.23651      9.460667  
1 1 1 5   35  20 o 125.462 3.1085  8537.90    422.408  7166.73    811.019  9048.31    494.822  114.449 6.5701  129.128 3.5380  -14.67870      7.462178  
1 1 1 5   35  21 o 21.121  6.9430  233.790    183.776  508.437    319.269  97.698     224.742  30.196  9.0487  18.613  7.4168  11.58313       11.69986  
1 1 1 5   35  22 o 104.353 3.0837  5914.29    348.531  5976.05    669.076  5891.29    408.304  104.326 5.9458  104.094 3.6215  0.2327194      6.961919  
1 1 1 5   35  23 o 34.161  5.8517  658.121    208.725  719.132    419.687  638.071    240.589  35.294  10.324  33.417  6.8765  1.876839       12.40444  
1 1 1 5   35  24 o 119.319 3.2630  7751.95    421.697  7798.46    832.762  7735.91    489.033  118.560 6.5100  119.083 3.7916  -0.5234604     7.533648  
1 1 1 5   35  25 o 34.425  2.0838  645.862    77.329   623.296    81.825   834.448    236.545  33.798  2.2481  38.429  5.8693  -4.631084      6.285067  
1 1 1 5   35  26 o 53.166  4.1824  1560.34    238.898  2058.09    474.102  1390.95    276.577  59.990  7.4576  49.918  5.1915  10.07216       9.086633  
1 1 1 5   35  27 o 68.031  2.5184  2521.37    185.567  2107.99    516.653  2582.60    198.835  60.104  8.1464  68.828  2.6672  -8.723637      8.571886  
1 1 1 5   35  28 o 24.551  7.3778  352.779    212.027  655.526    420.315  249.444    245.560  32.656  10.483  22.093  7.9897  10.56311       13.18073  
1 1 1 5   35  29 o 67.230  2.2543  2464.69    164.154  2284.60    250.050  2601.09    217.613  64.288  3.6056  68.906  2.9158  -4.617897      4.637084  
1 1 1 5   35  30 o 12.950  6.1744  -273.1523  240.224  -247.3767  410.897  -286.5371  296.099  18.281  8.5142  14.713  6.9689  3.567642       11.00262  
1 1 1 5   35  31 o 15.366  6.7890  -13.0802   221.941  -75.8536   426.744  10.194     259.849  19.604  8.9667  16.828  7.3938  2.775866       11.62196  
1 1 1 5   35  32 o 52.301  8.0861  1799.24    443.276  0.0000     0.0000   1799.24    443.276  ?       ?       52.301  8.0861  0.000000       8.086055  
1 1 1 5   35  33 o 24.183  10.092  387.660    440.238  0.0000     0.0000   387.660    440.238  ?       ?       24.183  10.092  0.000000       10.09214  
1 1 1 5   35  34 o 27.238  10.750  651.607    467.980  0.0000     0.0000   651.607    467.980  ?       ?       27.238  10.750  0.000000       10.75014  
1 1 1 5   36  0  o 484.738 9.3546  127446.40  4911.38  125911.60  8504.45  128214.50  6016.00  481.050 16.322  486.011 11.429  -4.961487      19.92574  
1 1 1 5   36  1  o 280.264 5.8332  42563.70   1770.69  46439.68   3064.93  40621.93   2169.34  292.591 9.6714  273.749 7.3165  18.84219       12.12716  
1 1 1 5   36  2  o 467.178 15.725  118735.40  7956.68  118735.40  7956.68  0.0000     0.0000   467.178 15.725  ?       ?       0.000000       15.72458  
1 1 1 5   36  3  o 85.687  5.6295  3995.76    519.555  3995.76    519.555  0.0000     0.0000   85.687  5.6295  ?       ?       0.000000       5.629523  
1 1 1 5   36  4  o 208.926 7.9812  23669.92   1806.06  23669.92   1806.06  0.0000     0.0000   208.926 7.9812  ?       ?       0.000000       7.981203  
1 1 1 5   36  5  o 221.862 5.9197  26677.92   1422.51  25158.46   2014.01  28190.51   2009.45  215.355 8.6345  227.985 8.1377  -12.62953      11.86492  
1 1 1 5   36  6  o 541.562 9.0466  159161.20  5306.46  162955.91  7505.22  155368.00  7503.71  547.437 12.658  534.487 12.962  12.94989       18.11716  
1 1 1 5   36  7  o 303.313 5.3453  49862.55   1756.05  47502.59   2484.48  52218.53   2482.38  295.916 7.7517  310.281 7.3866  -14.36569      10.70748  
1 1 1 5   36  8  o 256.951 4.5837  35779.59   1275.65  37417.66   2560.17  35238.59   1471.31  262.513 9.0043  254.971 5.3277  7.542252       10.46238  
1 1 1 5   36  9  o 430.958 7.2903  100780.00  3402.90  97308.70   6810.47  101935.00  3928.44  422.141 14.895  433.283 8.3710  -11.14246      17.08637  
1 1 1 5   36  10 o 184.093 3.6215  18363.89   722.107  18429.39   1452.40  18342.38   832.260  184.261 7.2775  183.968 4.1768  0.2932892      8.390917  
1 1 1 5   36  11 o 347.209 5.9166  65399.91   2225.03  67867.91   4455.37  64579.86   2568.22  352.816 11.659  344.920 6.8745  7.896118       13.53491  
1 1 1 5   36  12 o 206.839 4.1290  23190.81   925.005  24919.20   1752.40  22523.23   1089.09  214.172 7.5544  203.799 4.9339  10.37230       9.022907  
1 1 1 5   36  13 o 235.805 4.3097  30147.69   1100.69  30629.66   2208.99  29988.50   1269.52  237.270 8.5957  235.135 4.9848  2.134705       9.936511  
1 1 1 5   36  14 o 100.631 2.8504  5487.19    310.676  6003.37    632.431  5323.00    356.680  105.026 5.5796  99.104  3.3229  5.922089       6.494164  
1 1 1 5   36  15 o 227.458 4.9113  28070.02   1209.96  27545.33   2094.77  28332.71   1482.22  224.896 8.5997  228.418 5.9912  -3.521652      10.48090  
1 1 1 5   36  16 o 301.316 6.1413  49323.78   2004.26  46033.20   3470.11  50971.01   2455.18  290.073 11.045  306.088 7.4057  -16.01498      13.29801  
1 1 1 5   36  17 o 150.246 3.3206  12237.81   540.372  11789.90   1068.11  12391.88   626.457  147.234 6.6979  151.163 3.8263  -3.929321      7.713797  
1 1 1 5   36  18 o 171.911 3.5773  16027.21   666.084  16439.80   1320.63  15886.45   771.387  173.761 7.0171  171.111 4.1622  2.649811       8.158667  
1 1 1 5   36  19 o 178.404 3.6969  17268.23   714.354  16047.82   1340.12  17752.65   844.308  171.543 7.2127  180.829 4.3108  -9.286377      8.402790  
1 1 1 5   36  20 o 176.070 3.5778  16825.62   682.298  14832.03   1342.60  17519.74   792.224  164.689 7.5268  179.607 4.0724  -14.91737      8.557915  
1 1 1 5   36  21 o 116.702 3.0825  7392.12    389.633  6664.16    749.194  7662.01    456.178  110.242 6.3006  118.771 3.5461  -8.529030      7.230016  
1 1 1 5   36  22 o 44.606  2.5381  1083.23    122.114  1551.57    379.260  1029.06    128.983  52.721  6.8003  43.452  2.7549  9.269318       7.337119  
1 1 1 5   36  23 o 21.627  1.9841  255.838    45.957   229.680    402.324  256.184    46.260   25.438  9.9905  21.640  1.9962  3.798231       10.18798  
1 1 1 5   36  24 o 121.394 3.1790  8022.57    417.988  7327.86    845.942  8246.96    480.778  114.747 6.8376  122.987 3.6092  -8.240196      7.731717  
1 1 1 5   36  25 o 50.386  4.3198  1401.44    233.470  1473.82    455.580  1375.66    271.886  50.335  8.6693  49.728  5.1213  0.6076546      10.06897  
1 1 1 5   36  26 o 42.129  5.0738  993.649    226.864  1287.02    443.865  889.911    263.944  46.581  9.1241  39.457  6.3950  7.124065       11.14205  
1 1 1 5   36  27 o 32.397  6.3163  608.528    213.670  210.425    431.143  738.139    246.006  25.005  10.164  35.666  6.6118  -10.66030      12.12510  
1 1 1 5   36  28 o 47.539  4.6570  1266.29    236.708  954.515    466.710  1374.27    274.656  38.715  10.749  49.337  5.2191  -10.62160      11.94870  
1 1 1 5   36  29 o 35.712  6.7214  753.892    250.439  621.889    450.224  813.037    301.366  31.637  10.872  36.626  7.8339  -4.989275      13.40020  
1 1 1 5   36  30 o 34.734  7.0597  735.310    256.534  958.226    456.350  632.322    310.184  37.398  10.716  31.365  8.7822  6.032406       13.85473  
1 1 1 5   36  31 o 19.151  8.2907  77.561     316.579  0.0000     0.0000   77.561     316.579  ?       ?       19.151  8.2907  0.000000       8.290741  
1 1 1 5   36  32 o 18.448  8.6266  -161.6167  428.671  0.0000     0.0000   -161.6167  428.671  ?       ?       18.448  8.6266  0.000000       8.626616  
1 1 1 5   36  33 o 20.509  9.1373  124.478    410.446  0.0000     0.0000   124.478    410.446  ?       ?       20.509  9.1373  0.000000       9.137295  
1 1 1 5   36  34 o 20.328  9.3293  80.734     467.402  0.0000     0.0000   80.734     467.402  ?       ?       20.328  9.3293  0.000000       9.329339  
1 1 1 5   37  0  o 246.869 6.3374  33029.28   1694.53  34090.06   2397.03  31969.56   2395.82  250.714 8.8272  242.779 9.1111  7.934296       12.68594  
1 1 1 5   37  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   37  2  o 162.954 6.8225  14393.58   1204.15  14393.58   1204.15  0.0000     0.0000   162.954 6.8225  ?       ?       0.000000       6.822493  
1 1 1 5   37  3  o 413.314 14.057  92890.10   6292.75  92890.10   6292.75  0.0000     0.0000   413.314 14.057  ?       ?       0.000000       14.05692  
1 1 1 5   37  4  o 306.474 7.5983  50931.31   2522.21  53382.54   3567.85  48482.57   3566.04  313.579 10.505  298.804 11.019  14.77472       15.22376  
1 1 1 5   37  5  o 139.167 3.0619  10490.81   461.523  10957.00   655.629  10032.89   649.795  142.210 4.2566  136.079 4.4088  6.131241       6.128252  
1 1 1 5   37  6  o 398.042 6.8453  85911.04   2951.14  86503.77   4174.36  85318.77   4172.71  399.162 9.6554  396.412 9.7185  2.750031       13.69952  
1 1 1 5   37  7  o 491.124 8.2828  130895.70  4405.96  129321.40  6231.71  132469.41  6230.24  487.641 11.799  493.566 11.654  -5.924805      16.58419  
1 1 1 5   37  8  o 139.078 3.0651  10478.53   461.720  10330.93   939.879  10525.48   530.093  138.023 6.2871  139.383 3.5113  -1.358994      7.201169  
1 1 1 5   37  9  o 157.408 3.3092  13424.01   564.176  12650.64   1140.38  13674.64   649.189  152.695 6.8953  158.860 3.7730  -6.165024      7.860071  
1 1 1 5   37  10 o 315.358 5.9278  53944.61   2024.74  51722.11   3772.59  54843.80   2399.63  308.138 11.304  317.877 6.9697  -9.738617      13.27977  
1 1 1 5   37  11 o 54.248  2.7840  1598.55    163.029  1384.29    358.190  1654.53    183.094  50.046  6.7829  55.174  3.0761  -5.128712      7.447809  
1 1 1 5   37  12 o 156.288 3.3206  13236.33   562.098  13529.97   1133.66  13140.61   647.264  157.863 6.6302  155.706 3.8380  2.157669       7.660981  
1 1 1 5   37  13 o 122.634 2.9354  8149.02    389.898  8326.77    797.614  8093.21    446.936  123.858 5.9456  122.203 3.3767  1.655220       6.837614  
1 1 1 5   37  14 o 144.842 3.2112  11369.62   503.772  11815.69   1017.33  11224.71   579.858  147.498 6.3681  143.898 3.7205  3.599854       7.375243  
1 1 1 5   37  15 o 255.493 5.9226  35447.51   1638.94  37454.55   2591.77  34110.12   2115.67  262.136 9.1285  250.377 7.8016  11.75917       12.00809  
1 1 1 5   37  16 o 353.855 7.0673  68099.45   2708.65  69285.30   4691.11  67506.38   3317.54  355.434 12.186  351.924 8.7036  3.509308       14.97468  
1 1 1 5   37  17 f 146.248 3.4077  11596.24   539.779  11985.20   1034.61  11450.77   632.715  148.464 6.4341  145.296 4.0206  3.168030       7.587008  
1 1 1 5   37  18 o 140.211 3.3474  10660.01   508.345  9848.01    974.387  10963.67   595.863  134.510 6.6881  142.164 3.8698  -7.653519      7.726993  
1 1 1 5   37  19 o 240.710 4.4036  31463.53   1148.08  27568.62   2283.40  32781.31   1328.17  224.241 9.4015  245.604 4.9928  -21.36327      10.64501  
1 1 1 5   37  20 o 77.928  2.6685  3293.00    225.229  3404.46    490.526  3263.22    253.535  78.839  5.7849  77.561  3.0180  1.278152       6.524809  
1 1 1 5   37  21 o 143.828 3.3414  11233.87   520.528  10487.93   1117.75  11440.44   588.202  138.003 7.5062  145.093 3.7429  -7.089233      8.387671  
1 1 1 5   37  22 o 82.569  3.1990  3704.87    286.091  3805.49    601.389  3675.45    325.252  82.928  6.7542  82.197  3.6534  0.7308502      7.678928  
1 1 1 5   37  23 o 114.691 3.1956  7155.48    396.969  7090.18    782.469  7178.12    460.654  113.235 6.4062  114.784 3.7053  -1.549042      7.400615  
1 1 1 5   37  24 o 76.614  3.3433  3197.75    277.429  3400.20    557.849  3131.22    319.778  78.053  6.6625  75.630  3.9172  2.422539       7.728717  
1 1 1 5   37  25 o 76.360  3.4282  3182.57    283.534  3693.73    552.441  2999.77    330.365  81.279  6.3252  73.889  4.1448  7.389252       7.562208  
1 1 1 5   37  26 o 26.716  1.9311  389.696    55.505   797.012    418.384  382.399    55.999   36.298  10.212  26.459  1.9681  9.838669       10.40022  
1 1 1 5   37  27 o 67.483  3.6342  2505.67    264.646  2193.12    525.919  2611.65    306.245  61.223  8.1324  68.743  4.1323  -7.520588      9.122046  
1 1 1 5   37  28 o 26.032  7.4053  402.659    218.740  396.410    428.437  404.863    254.395  27.644  10.450  26.182  8.1236  1.462160       13.23653  
1 1 1 5   37  29 o 55.697  4.7418  1745.72    283.326  1352.69    500.774  1930.77    343.609  45.877  10.327  58.218  5.5150  -12.34093      11.70744  
1 1 1 5   37  30 o 51.406  5.1509  1520.06    282.932  1269.65    492.441  1643.45    345.685  43.051  10.625  52.831  6.1566  -9.780571      12.28024  
1 1 1 5   37  31 o 35.956  8.3759  859.839    320.128  0.0000     0.0000   859.839    320.128  ?       ?       35.956  8.3759  0.000000       8.375855  
1 1 1 5   37  32 f 55.683  7.7079  2016.70    452.397  0.0000     0.0000   2016.70    452.397  ?       ?       55.683  7.7079  0.000000       7.707907  
1 1 1 5   37  33 o 16.916  8.1189  -306.3047  430.419  0.0000     0.0000   -306.3047  430.419  ?       ?       16.916  8.1189  0.000000       8.118938  
1 1 1 5   37  34 o 6.6409  2.9293  -9.7030    41.157   0.0000     0.0000   -9.7030    41.157   ?       ?       6.6409  2.9293  0.000000       2.929289  
1 1 1 5   38  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 5   38  1  o 532.209 17.826  154386.30  10275.65 154386.30  10275.65 0.0000     0.0000   532.209 17.826  ?       ?       0.000000       17.82614  
1 1 1 5   38  2  o 248.510 9.0872  33503.01   2445.93  33503.01   2445.93  0.0000     0.0000   248.510 9.0872  ?       ?       0.000000       9.087230  
1 1 1 5   38  3  o 116.213 4.1732  7316.80    525.284  7423.40    742.121  7209.77    743.609  116.887 5.8807  115.182 5.9812  1.705406       8.387932  
1 1 1 5   38  4  o 519.017 8.5355  146139.30  4798.22  144804.00  6785.81  147474.59  6785.61  516.177 12.138  520.932 12.026  -4.755005      17.08674  
1 1 1 5   38  5  o 439.493 7.4230  104754.50  3533.49  107365.10  4997.70  102145.10  4996.52  444.629 10.378  433.654 10.638  10.97446       14.86140  
1 1 1 5   38  6  o 170.010 3.4359  15657.97   632.671  16713.59   898.638  14620.51   890.876  175.620 4.7243  164.249 5.0078  11.37093       6.884551  
1 1 1 5   38  7  o 221.762 4.1239  26647.33   990.531  27472.02   1403.83  25829.68   1397.83  225.109 5.7578  218.270 5.9128  6.838821       8.253034  
1 1 1 5   38  8  o 329.636 6.6781  58942.04   2384.28  56199.33   4133.69  60309.44   2918.74  321.302 11.878  333.309 8.0849  -12.00705      14.36871  
1 1 1 5   38  9  o 384.642 7.0404  80290.55   2933.08  80182.37   5446.32  80334.73   3481.00  383.390 13.116  384.582 8.3569  -1.192291      15.55183  
1 1 1 5   38  10 o 379.410 6.4442  78112.97   2648.16  76773.59   5301.29  78558.31   3056.88  374.986 13.053  380.366 7.4200  -5.380676      15.01424  
1 1 1 5   38  11 o 305.039 5.3094  50466.25   1754.16  55100.73   3514.65  48928.84   2024.31  318.097 10.201  300.272 6.2243  17.82446       11.95021  
1 1 1 5   38  12 f 226.446 4.1963  27798.95   1029.20  29415.02   2065.77  27265.36   1187.01  232.591 8.2001  224.221 4.8878  8.370361       9.546285  
1 1 1 5   38  13 o 309.767 5.4063  52065.18   1813.86  51177.38   3632.64  52360.04   2093.52  306.201 10.953  310.546 6.2242  -4.345032      12.59826  
1 1 1 5   38  14 o 65.512  2.7676  2325.53    196.382  3064.12    428.176  2128.77    220.996  74.956  5.3084  62.587  3.2715  12.36951       6.235491  
1 1 1 5   38  15 o 250.402 5.2944  34031.38   1435.89  33006.30   2487.68  34543.52   1758.36  246.026 9.3356  252.145 6.4386  -6.118469      11.34059  
1 1 1 5   38  16 o 493.508 9.6229  132971.09  5143.65  131473.80  8910.59  133719.50  6299.11  486.631 16.906  493.902 11.775  -7.271271      20.60250  
1 1 1 5   38  17 o 240.257 4.4111  31322.28   1147.88  28084.97   2287.51  32411.80   1327.05  226.725 9.3152  244.328 5.0147  -17.60350      10.57925  
1 1 1 5   38  18 o 103.038 2.9920  5755.63    333.914  4618.86    644.062  6173.50    390.493  91.895  6.5131  106.697 3.3790  -14.80255      7.337495  
1 1 1 5   38  19 o 86.102  3.0114  4020.23    280.833  4052.56    540.327  4008.26    328.721  86.096  5.8287  85.953  3.5310  0.1433716      6.814790  
1 1 1 5   38  20 o 67.075  3.2956  2441.59    239.420  1798.31    425.846  2738.91    289.510  56.929  7.0576  70.918  3.7828  -13.98865      8.007469  
1 1 1 5   38  21 o 72.849  2.6745  2879.36    211.026  2829.19    299.778  2928.65    297.111  72.037  3.8561  73.308  3.7545  -1.271187      5.382051  
1 1 1 5   38  22 o 164.638 3.5066  14743.08   625.302  16069.04   1268.05  14317.04   718.771  170.840 6.8529  162.114 4.0935  8.726273       7.982456  
1 1 1 5   38  23 o 132.771 3.2839  9593.56    472.247  10258.88   943.237  9371.00    545.546  136.373 6.3859  131.104 3.8419  5.269089       7.452504  
1 1 1 5   38  24 o 160.930 3.4777  14119.32   606.175  15392.64   1212.90  13695.40   699.845  166.519 6.7250  158.297 4.0819  8.222107       7.866850  
1 1 1 5   38  25 o 102.064 3.2628  5682.47    360.692  5686.12    706.401  5681.18    419.500  100.830 6.5030  101.922 3.8001  -1.092010      7.531921  
1 1 1 5   38  26 o 120.943 3.2530  7990.93    426.128  7450.33    848.114  8173.49    492.855  114.901 6.8460  122.152 3.7252  -7.251045      7.793859  
1 1 1 5   38  27 o 53.863  2.1111  1578.33    123.159  871.496    468.114  1630.90    127.656  37.339  10.898  54.748  2.1528  -17.40920      11.10857  
1 1 1 5   38  28 o 44.365  5.0335  1111.91    237.587  1425.64    465.688  1001.51    276.244  48.219  9.2533  41.583  6.3335  6.635685       11.21326  
1 1 1 5   38  29 o 38.153  6.5742  858.327    261.864  654.204    457.018  958.099    319.516  32.086  10.955  39.806  7.6894  -7.719955      13.38449  
1 1 1 5   38  30 o 29.138  7.9920  540.099    259.804  452.734    448.131  584.329    318.858  27.427  10.608  29.871  9.0636  -2.443462      13.95244  
1 1 1 5   38  31 o 18.834  8.6981  -122.0375  415.346  0.0000     0.0000   -122.0375  415.346  ?       ?       18.834  8.6981  0.000000       8.698122  
1 1 1 5   38  32 o 23.013  9.8142  265.804    431.186  0.0000     0.0000   265.804    431.186  ?       ?       23.013  9.8142  0.000000       9.814228  
1 1 1 5   38  33 o 19.680  8.8917  65.956     404.007  0.0000     0.0000   65.956     404.007  ?       ?       19.680  8.8917  0.000000       8.891665  
1 1 1 5   38  34 o 18.778  8.6852  -11.5096   416.353  0.0000     0.0000   -11.5096   416.353  ?       ?       18.778  8.6852  0.000000       8.685199  
1 1 1 5   39  0  o 393.571 13.445  84214.85   5731.17  84214.85   5731.17  0.0000     0.0000   393.571 13.445  ?       ?       0.000000       13.44467  
1 1 1 5   39  1  o 468.958 15.816  119758.80  8033.64  119758.80  8033.64  0.0000     0.0000   468.958 15.816  ?       ?       0.000000       15.81644  
1 1 1 5   39  2  o 613.198 14.355  204595.00  9533.67  213497.20  13483.71 195695.59  13481.57 625.034 19.918  598.162 20.809  26.87250       28.80492  
1 1 1 5   39  3  o 217.671 4.0998  25669.56   966.571  26065.05   1366.89  25274.02   1366.98  219.298 5.7548  215.942 5.8446  3.356049       8.202270  
1 1 1 5   39  4  o 381.506 6.4335  78906.15   2658.38  79601.19   3759.80  78211.31   3759.24  382.980 9.0640  379.615 9.1430  3.365295       12.87436  
1 1 1 5   39  5  o 242.133 4.4851  31768.27   1176.25  31890.86   1664.58  31646.00   1662.37  242.531 6.3367  241.598 6.3528  0.9335327      8.972858  
1 1 1 5   39  6  o 159.931 3.3336  13856.56   577.447  13989.94   819.748  13725.19   813.553  160.671 4.7106  159.144 4.7198  1.527771       6.668291  
1 1 1 5   39  7  o 424.019 7.1468  97540.16   3282.23  97735.29   4642.73  97345.18   4640.80  424.067 10.108  423.217 10.124  0.8495789      14.30638  
1 1 1 5   39  8  o 190.172 4.2949  19599.66   884.638  19781.41   1539.76  19510.10   1080.83  190.912 7.4464  189.702 5.2603  1.209824       9.117046  
1 1 1 5   39  9  o 139.104 3.0974  10483.45   466.660  9000.17    947.894  10957.96   536.133  128.600 6.8298  142.209 3.4808  -13.60844      7.665618  
1 1 1 5   39  10 o 400.312 6.8582  86986.85   2973.56  82294.07   5951.57  88547.99   3432.71  387.886 14.166  403.742 7.8499  -15.85583      16.19585  
1 1 1 5   39  11 o 212.781 3.9894  24540.71   919.409  26561.68   1846.74  23874.72   1060.13  221.105 7.7114  209.841 4.6644  11.26482       9.012397  
1 1 1 5   39  12 o 171.240 3.4825  15891.95   645.900  15285.12   1300.16  16090.79   744.233  167.736 7.1565  172.288 3.9883  -4.551498      8.192770  
1 1 1 5   39  13 o 348.846 6.3600  66084.95   2403.04  72804.79   4470.02  63353.47   2849.89  365.071 11.305  341.341 7.7085  23.73056       13.68280  
1 1 1 5   39  14 o 252.741 4.5828  34646.85   1254.53  37361.89   2517.45  33749.85   1446.99  261.900 8.8747  249.377 5.3572  12.52316       10.36632  
1 1 1 5   39  15 o 251.454 5.8160  34335.60   1583.99  34201.67   2507.66  34424.51   2043.22  250.442 9.2446  251.552 7.4992  -1.110001      11.90387  
1 1 1 5   39  16 f 117.658 3.5398  7505.48    451.097  7336.96    779.388  7590.38    553.167  116.027 6.2246  118.289 4.3176  -2.262070      7.575438  
1 1 1 5   39  17 o 152.268 3.4830  12572.15   574.420  12754.47   1104.26  12504.51   672.580  153.111 6.6588  151.822 4.0902  1.289063       7.814684  
1 1 1 5   39  18 o 109.717 3.0271  6526.52    359.723  5976.20    699.197  6724.62    419.500  104.618 6.1981  111.349 3.4784  -6.730896      7.107459  
1 1 1 5   39  19 o 235.417 4.3212  30100.54   1101.83  26700.03   2191.71  31250.64   1274.61  220.606 9.1726  239.772 4.9080  -19.16588      10.40318  
1 1 1 5   39  20 o 136.879 3.2208  10168.19   477.494  9532.53    935.684  10392.02   555.234  132.091 6.5401  138.329 3.7059  -6.238434      7.517100  
1 1 1 5   39  21 o 7.5691  1.9679  32.214     16.284   70.020     21.847   -15.0450   24.426   11.216  1.8638  4.7770  2.1695  6.439203       2.860126  
1 1 1 5   39  22 o 151.725 3.5426  12525.47   582.164  12848.68   1145.51  12412.93   675.966  152.662 6.9279  150.913 4.1355  1.748856       8.068307  
1 1 1 5   39  23 o 118.381 3.2408  7627.01    415.539  7946.43    841.571  7524.03    477.854  119.774 6.5117  117.480 3.7554  2.294304       7.516986  
1 1 1 5   39  24 o 41.935  1.4062  953.428    63.869   948.298    441.847  953.538    64.547   39.931  10.184  41.937  1.4210  -2.005711      10.28282  
1 1 1 5   39  25 o 69.568  2.6171  2633.46    197.200  2067.40    521.926  2727.72    212.987  59.897  8.2653  70.781  2.7782  -10.88343      8.719716  
1 1 1 5   39  26 o 43.715  4.9223  1068.71    229.008  1608.38    449.400  879.416    266.158  52.512  8.1668  39.131  6.5085  13.38116       10.44303  
1 1 1 5   39  27 o 53.663  4.2931  1599.03    247.437  1654.92    481.871  1579.02    288.357  52.677  8.7529  53.065  5.0791  -0.3881035     10.11982  
1 1 1 5   39  28 f 51.384  1.8019  1435.71    100.284  1384.15    148.673  1478.75    135.841  50.247  2.7422  52.066  2.4088  -1.819126      3.649944  
1 1 1 5   39  29 o 40.371  5.9743  947.965    253.347  731.003    461.866  1041.34    302.999  33.462  11.007  41.885  6.9207  -8.423317      13.00211  
1 1 1 5   39  30 o 3.8293  1.9250  -107.7815  35.657   -107.3735  420.075  -107.7845  35.786   19.518  8.9154  3.8414  1.9307  15.67665       9.122025  
1 1 1 5   39  31 o 43.660  9.2153  1303.89    422.083  0.0000     0.0000   1303.89    422.083  ?       ?       43.660  9.2153  0.000000       9.215258  
1 1 1 5   39  32 o 18.634  8.5488  -55.3298   391.955  0.0000     0.0000   -55.3298   391.955  ?       ?       18.634  8.5488  0.000000       8.548790  
1 1 1 5   39  33 o 37.247  10.890  1158.53    467.083  0.0000     0.0000   1158.53    467.083  ?       ?       37.247  10.890  0.000000       10.89018  
1 1 1 5   39  34 o 19.806  9.0723  61.816     439.118  0.0000     0.0000   61.816     439.118  ?       ?       19.806  9.0723  0.000000       9.072349  
1 1 1 5   40  0  o 224.079 5.9329  27214.77   1439.93  26954.65   2036.84  27474.66   2035.90  222.911 8.4364  225.055 8.3521  -2.143707      11.87141  
1 1 1 5   40  1  o 590.982 13.880  190021.41  8884.54  194556.30  12565.54 185487.80  12563.72 596.666 19.444  582.465 19.915  14.20068       27.83276  
1 1 1 5   40  2  f 388.126 6.5714  81668.33   2762.51  84626.25   3907.36  78712.16   3906.20  394.894 9.1355  380.816 9.4704  14.07797       13.15848  
1 1 1 5   40  3  o 343.679 6.4675  64035.75   2407.47  66591.24   3712.24  62180.81   3162.75  350.223 9.7864  338.521 8.6260  11.70206       13.04534  
1 1 1 5   40  4  o 170.825 3.3680  15808.19   623.158  16056.09   881.415  15560.45   881.142  172.133 4.7277  169.454 4.8009  2.679337       6.737919  
1 1 1 5   40  5  o 264.549 5.1069  37930.93   1463.31  37969.06   2238.59  37902.49   1933.60  264.542 7.8128  264.371 6.7528  0.1704102      10.32670  
1 1 1 5   40  6  o 192.037 3.7830  19980.96   786.854  19540.12   1115.53  20417.48   1110.06  189.859 5.4247  194.079 5.2807  -4.220551      7.570607  
1 1 1 5   40  7  o 423.747 7.2137  97431.19   3310.82  100559.90  4683.41  94305.70   4681.00  430.104 10.054  416.463 10.377  13.64090       14.44871  
1 1 1 5   40  8  o 120.751 2.9275  7899.08    382.881  7908.73    545.081  7889.69    537.940  120.802 4.1660  120.658 4.1163  0.1444397      5.856569  
1 1 1 5   40  9  o 186.402 3.6443  18828.34   735.761  17204.11   1481.89  19359.74   847.617  177.989 7.6869  188.997 4.1407  -11.00800      8.731220  
1 1 1 5   40  10 o 142.557 3.1739  11011.43   490.069  10703.67   993.961  11110.28   563.295  140.432 6.5348  143.184 3.6322  -2.751404      7.476390  
1 1 1 5   40  11 o 379.678 6.5581  78260.49   2696.89  70815.32   5397.56  80737.56   3113.36  359.635 13.857  385.501 7.4565  -25.86581      15.73570  
1 1 1 5   40  12 o 290.397 5.0999  45744.50   1604.06  47121.08   3214.11  45287.91   1851.06  294.029 10.093  288.862 5.9164  5.167480       11.69886  
1 1 1 5   40  13 o 274.539 4.9333  40886.37   1466.93  39386.87   2937.77  41384.43   1693.12  268.737 10.093  276.132 5.6611  -7.394745      11.57224  
1 1 1 5   40  14 o 312.444 5.8788  53005.32   1989.44  55706.07   3709.64  51915.00   2357.05  319.338 10.725  309.039 7.0418  10.29858       12.83045  
1 1 1 5   40  15 o 278.907 5.7708  42242.29   1743.26  41638.50   3021.12  42543.66   2134.45  276.130 10.101  279.713 7.0454  -3.583496      12.31573  
1 1 1 5   40  16 o 95.149  3.3956  4908.19    349.935  5370.26    614.360  4686.29    425.749  99.263  5.7388  92.946  4.2291  6.317604       7.128767  
1 1 1 5   40  17 o 191.697 3.8006  19931.65   789.118  19714.73   1574.85  20004.37   911.850  190.204 7.6445  191.998 4.3849  -1.793106      8.812776  
1 1 1 5   40  18 o 185.461 3.8713  18663.33   777.638  17345.24   1469.03  19176.47   916.593  178.297 7.6071  187.929 4.5031  -9.631805      8.839990  
1 1 1 5   40  19 o 115.119 3.0443  7187.79    379.580  6653.80    738.398  7379.59    442.527  110.324 6.2046  116.616 3.5036  -6.291580      7.125484  
1 1 1 5   40  20 o 86.215  2.7403  4032.06    255.892  3597.27    532.422  4162.67    291.805  80.942  6.1183  87.581  3.0762  -6.639015      6.848067  
1 1 1 5   40  21 o 67.452  3.1549  2471.22    230.492  2457.84    427.470  2476.70    273.685  66.758  5.9752  67.381  3.7652  -0.6233368     7.062531  
1 1 1 5   40  22 o 44.758  4.5600  1104.82    217.972  737.059    488.971  1196.02    243.505  36.007  11.277  46.524  4.9063  -10.51672      12.29845  
1 1 1 5   40  23 o 149.313 3.4228  12142.33   553.544  11868.34   1119.59  12230.98   636.825  146.274 7.0668  149.723 3.9270  -3.449234      8.084598  
1 1 1 5   40  24 o 25.114  7.4575  358.608    217.592  -418.2455  452.181  592.701    248.220  18.787  8.8091  31.971  7.3253  -13.18364      11.45690  
1 1 1 5   40  25 o 60.370  3.7560  2001.08    244.378  3044.52    514.462  1697.03    277.709  73.606  6.5206  55.360  4.6753  18.24582       8.023524  
1 1 1 5   40  26 o 51.436  4.3865  1466.98    242.044  1479.53    491.036  1462.95    278.188  49.687  9.4701  51.162  5.0877  -1.475502      10.75024  
1 1 1 5   40  27 o 20.000  7.2422  197.557    201.854  157.480    413.172  210.121    231.341  23.751  9.8330  20.922  7.7254  2.829277       12.50478  
1 1 1 5   40  28 f 61.579  4.0144  2103.87    266.284  1623.63    519.076  2275.39    310.212  51.177  9.7200  63.852  4.5146  -12.67492      10.71726  
1 1 1 5   40  29 o 11.526  2.8908  75.740     36.024   -143.6525  427.150  77.312     36.153   19.823  9.0296  11.643  2.8822  8.179732       9.478437  
1 1 1 5   40  30 o 58.005  4.6954  1926.69    292.459  1601.95    522.092  2075.18    353.049  48.204  10.312  59.599  5.5323  -11.39574      11.70210  
1 1 1 5   40  31 o 72.397  6.5417  3201.11    507.415  0.0000     0.0000   3201.11    507.415  ?       ?       72.397  6.5417  0.000000       6.541710  
1 1 1 5   40  32 o 28.699  10.588  642.188    434.382  0.0000     0.0000   642.188    434.382  ?       ?       28.699  10.588  0.000000       10.58812  
1 1 1 5   40  33 o 27.190  10.583  610.257    448.268  0.0000     0.0000   610.257    448.268  ?       ?       27.190  10.583  0.000000       10.58318  
1 1 1 5   41  0  o 78.515  3.2631  3339.39    277.498  3177.31    470.498  3425.84    343.628  76.350  5.7314  79.418  4.0078  -3.068588      6.993635  
1 1 1 5   41  1  o 640.293 10.679  222681.30  7405.75  232013.91  10474.11 213351.50  10472.52 652.681 14.817  625.725 15.452  26.95563       21.40810  
1 1 1 5   41  2  o 227.832 4.2838  28124.39   1057.10  27497.82   1494.66  28751.49   1495.29  225.222 6.1272  230.304 5.9945  -5.081863      8.571844  
1 1 1 5   41  3  o 240.925 4.3704  31451.34   1140.44  32168.07   1613.26  30735.39   1612.39  243.592 6.1146  238.100 6.2523  5.491959       8.745283  
1 1 1 5   41  4  o 647.128 11.535  227693.00  8084.97  229556.30  12566.80 226377.09  10560.79 647.957 17.906  644.332 15.133  3.624817       23.44436  
1 1 1 5   41  5  o 403.884 6.9535  88478.38   3041.80  89198.27   4302.33  87758.87   4301.17  405.210 9.8029  401.917 9.8805  3.292755       13.91838  
1 1 1 5   41  6  o 432.420 7.4099  101463.00  3470.48  103764.10  4908.94  99163.66   4907.06  436.882 10.374  427.050 10.609  9.832153       14.83823  
1 1 1 5   41  7  o 369.127 6.2821  73905.59   2511.60  76645.39   3553.39  71170.29   3550.48  375.631 8.7340  361.925 9.0573  13.70651       12.58239  
1 1 1 5   41  8  o 164.027 3.4196  14577.90   607.525  14533.87   863.662  14621.02   854.747  163.735 4.8700  164.227 4.8053  -0.4924622     6.841670  
1 1 1 5   41  9  o 257.748 4.7387  36017.09   1322.89  32968.48   2653.01  37025.92   1526.15  246.139 9.9515  261.291 5.3927  -15.15192      11.31872  
1 1 1 5   41  10 o 429.500 7.2983  100184.80  3395.15  97111.93   6795.26  101207.10  3919.42  420.973 14.903  431.490 8.3865  -10.51700      17.10089  
1 1 1 5   41  11 o 492.322 8.2851  131801.20  4417.92  127926.70  8839.97  133091.09  5100.58  481.910 16.936  494.400 9.5251  -12.49066      19.43094  
1 1 1 5   41  12 o 105.860 2.8230  6071.94    323.679  6096.88    663.410  6064.16    370.810  105.829 5.8099  105.783 3.2364  0.4610443E-01  6.650540  
1 1 1 5   41  13 o 152.583 3.3850  12618.42   559.411  13678.71   1086.99  12236.42   652.447  158.704 6.3236  150.231 4.0097  8.472839       7.487757  
1 1 1 5   41  14 o 100.422 2.8599  5464.80    311.060  5245.17    639.815  5532.78    355.959  98.091  6.0518  101.036 3.2528  -2.944641      6.870543  
1 1 1 5   41  15 o 205.939 4.5895  23008.68   1023.71  23495.60   1776.33  22766.54   1252.65  207.743 7.8945  204.758 5.6483  2.985184       9.707069  
1 1 1 5   41  16 o 153.734 3.8871  12817.93   647.245  12509.37   1119.91  12972.69   793.117  151.641 6.8186  154.604 4.7364  -2.962906      8.302194  
1 1 1 5   41  17 o 166.967 3.5181  15118.19   636.230  14681.52   1273.18  15263.53   734.517  164.186 7.1595  167.731 4.0431  -3.545853      8.222259  
1 1 1 5   41  18 o 124.757 3.1376  8440.15    423.965  8104.40    862.922  8546.98    486.766  121.801 6.5653  125.519 3.5805  -3.717148      7.478188  
1 1 1 5   41  19 o 67.702  2.4841  2484.91    182.157  2016.81    430.406  2587.05    201.051  60.429  6.6881  69.073  2.6874  -8.643860      7.207852  
1 1 1 5   41  20 f 87.049  2.9696  4112.11    279.986  3356.08    531.591  4402.36    329.373  78.104  6.3387  90.041  3.3774  -11.93723      7.182283  
1 1 1 5   41  21 o 109.174 3.1181  6474.55    368.708  7115.75    780.431  6290.31    418.340  113.733 6.3610  107.556 3.5911  6.176956       7.304639  
1 1 1 5   41  22 o 52.450  2.0506  1492.36    116.489  1407.93    491.072  1497.39    119.911  49.317  9.5384  52.536  2.1074  -3.218304      9.768387  
1 1 1 5   41  23 o 61.316  2.4981  2042.37    165.901  1876.55    529.146  2060.45    174.709  57.178  8.8286  61.577  2.6195  -4.399174      9.209048  
1 1 1 5   41  24 f 32.071  1.8102  559.895    62.622   724.560    460.862  556.798    63.208   35.163  10.938  31.979  1.8325  3.183903       11.09036  
1 1 1 5   41  25 o 25.804  6.8812  386.167    195.843  386.587    461.746  386.075    216.258  28.661  10.846  25.841  7.3674  2.820000       13.11138  
1 1 1 5   41  26 o ?       ?       -323.2407  32.694   -329.6943  33.068   -42.8625   217.964  ?       ?       15.388  6.7661  0.000000       6.766068  
1 1 1 5   41  27 o 47.841  4.6915  1280.66    239.970  1738.96    492.689  1138.12    274.763  53.934  8.7326  44.689  5.8143  9.245556       10.49118  
1 1 1 5   41  28 o 58.437  2.3299  1862.28    147.465  2048.04    499.187  1844.52    154.354  58.680  8.0675  58.136  2.4513  0.5441322      8.431745  
1 1 1 5   41  29 o 22.056  7.9907  262.828    245.781  58.434     434.147  359.233    298.161  22.145  9.6477  24.926  8.8277  -2.780195      13.07694  
1 1 1 5   41  30 f 18.625  1.5305  190.190    30.601   326.215    42.266   40.322     44.364   24.414  1.6074  9.3235  3.3923  15.09026       3.753830  
1 1 1 5   41  31 o 18.502  8.4596  -71.9220   379.367  0.0000     0.0000   -71.9220   379.367  ?       ?       18.502  8.4596  0.000000       8.459560  
1 1 1 5   41  32 o 21.090  9.1648  171.525    389.761  0.0000     0.0000   171.525    389.761  ?       ?       21.090  9.1648  0.000000       9.164770  
1 1 1 5   41  33 o 24.579  9.9221  446.849    407.806  0.0000     0.0000   446.849    407.806  ?       ?       24.579  9.9221  0.000000       9.922132  
1 1 1 5   42  0  o 367.684 6.3000  73293.27   2508.90  74080.10   3548.68  72506.92   3547.56  369.454 8.8682  365.502 8.9613  3.952271       12.60754  
1 1 1 5   42  1  o 404.873 6.7736  88886.71   2970.34  90917.21   4201.29  86857.36   4200.11  409.220 9.4789  399.956 9.6957  9.264313       13.55932  
1 1 1 5   42  2  o 376.983 6.3512  77052.90   2593.25  80138.42   3668.09  73969.65   3666.74  384.250 8.8137  369.130 9.1713  15.11945       12.71979  
1 1 1 5   42  3  o 242.260 4.4439  31802.71   1166.05  32576.09   1649.50  31030.20   1648.58  245.118 6.2131  239.225 6.3626  5.893494       8.892961  
1 1 1 5   42  4  o 168.184 3.3847  15323.88   616.564  15162.17   871.970  15485.56   871.936  167.262 4.8132  169.038 4.7625  -1.775665      6.771097  
1 1 1 5   42  5  o 564.452 9.4087  173078.59  5752.10  174215.09  8135.04  171942.41  8134.35  565.431 13.283  561.708 13.370  3.723022       18.84714  
1 1 1 5   42  6  o 488.179 8.1793  129395.20  4324.77  130999.20  6116.55  127791.60  6115.74  490.577 11.511  484.503 11.654  6.073883       16.38090  
1 1 1 5   42  7  o 52.389  2.8785  1491.37    162.709  1510.61    244.337  1476.04    218.103  52.616  4.3257  52.044  3.8975  0.5720863      5.822559  
1 1 1 5   42  8  o 313.375 5.9291  53269.86   2012.43  52770.31   2649.35  53951.25   3094.15  311.709 7.8473  315.026 9.0683  -3.316711      11.99224  
1 1 1 5   42  9  o 242.205 5.1327  31811.78   1346.48  31005.92   2337.28  32212.07   1647.30  238.783 9.0373  243.646 6.2423  -4.863495      10.98357  
1 1 1 5   42  10 o 268.256 5.0459  39026.27   1466.08  42975.23   2748.07  37455.18   1733.35  281.062 9.0273  262.716 6.0916  18.34625       10.89032  
1 1 1 5   42  11 o 227.481 4.5751  28060.00   1127.24  25043.23   2123.00  29244.42   1330.25  214.493 9.1383  232.182 5.2898  -17.68877      10.55890  
1 1 1 5   42  12 o 254.397 4.9195  35104.91   1355.52  36349.98   2543.27  34610.88   1602.03  258.366 9.0884  252.516 5.8575  5.850082       10.81248  
1 1 1 5   42  13 o 415.953 7.0435  94033.81   3173.23  92000.34   6350.54  94710.48   3663.35  409.140 14.331  417.204 8.1070  -8.064606      16.46491  
1 1 1 5   42  14 o 188.320 3.9328  19229.15   802.165  18024.36   1527.77  19687.71   942.539  182.006 7.7500  190.512 4.5678  -8.505417      8.995968  
1 1 1 5   42  15 o 136.653 3.6821  10125.03   544.989  9628.10    947.768  10370.51   666.135  133.085 6.5751  138.262 4.4482  -5.177139      7.938424  
1 1 1 5   42  16 o 207.199 4.6144  23299.42   1035.55  23183.83   1797.74  23356.81   1266.83  206.234 8.0482  207.344 5.6410  -1.110107      9.828199  
1 1 1 5   42  17 o 47.153  3.7183  1213.50    188.357  1366.49    394.178  1168.22    214.422  49.505  7.5938  46.192  4.3365  3.312832       8.744799  
1 1 1 5   42  18 o 21.188  0.9591  243.154    22.011   -207.9566  316.856  245.342    22.064   16.988  7.7533  21.283  0.9572  -4.294807      7.812147  
1 1 1 5   42  19 o 124.484 3.1088  8407.12    419.156  7810.00    828.183  8612.74    485.997  119.462 6.4243  125.961 3.5623  -6.499664      7.345840  
1 1 1 5   42  20 o 112.185 2.9666  6830.60    360.464  6559.32    710.206  6924.73    418.354  109.401 6.0168  112.914 3.4208  -3.513466      6.921257  
1 1 1 5   42  21 o 175.434 3.6060  16739.72   685.195  18858.54   1395.07  16066.09   786.610  185.122 6.9578  171.729 4.2291  13.39249       8.142208  
1 1 1 5   42  22 f 28.406  6.1540  460.667    183.865  717.292    449.602  409.130    201.483  35.340  10.771  26.719  6.9105  8.621582       12.79749  
1 1 1 5   42  23 o 76.772  3.3327  3210.06    277.117  2849.89    589.933  3312.04    313.905  71.058  7.7930  77.927  3.7191  -6.869484      8.634995  
1 1 1 5   42  24 o 76.128  3.3434  3160.93    275.681  3848.72    587.607  2966.81    312.169  82.917  6.5975  73.551  3.9328  9.365372       7.680792  
1 1 1 5   42  25 o 53.284  4.1500  1566.56    237.619  1816.49    515.291  1499.06    267.791  55.739  8.8297  51.950  4.8140  3.788719       10.05675  
1 1 1 5   42  26 f 37.606  1.3795  767.237    56.188   993.236    81.175   559.366    77.852   42.764  1.7525  31.983  2.2620  10.78114       2.861447  
1 1 1 5   42  27 o 60.552  3.9593  2029.04    258.241  1819.64    551.469  2087.85    292.266  54.560  9.6869  61.263  4.4346  -6.702900      10.65370  
1 1 1 5   42  28 o 63.894  3.7606  2259.67    259.104  1987.24    551.102  2336.97    293.575  56.940  9.2538  64.808  4.2050  -7.868481      10.16437  
1 1 1 5   42  29 o 83.616  3.0978  3851.53    280.557  4245.31    646.179  3760.05    311.444  84.557  7.1219  82.431  3.4884  2.126595       7.930300  
1 1 1 5   42  30 f 18.962  8.1257  83.767     298.151  0.0000     0.0000   83.767     298.151  ?       ?       18.962  8.1257  0.000000       8.125661  
1 1 1 5   42  31 o 20.379  9.0461  66.341     398.624  0.0000     0.0000   66.341     398.624  ?       ?       20.379  9.0461  0.000000       9.046141  
1 1 1 5   42  32 o 21.512  9.3670  188.888    408.802  0.0000     0.0000   188.888    408.802  ?       ?       21.512  9.3670  0.000000       9.366966  
1 1 1 5   42  33 o 35.380  10.698  1049.17    444.759  0.0000     0.0000   1049.17    444.759  ?       ?       35.380  10.698  0.000000       10.69753  
1 1 1 5   43  0  o 245.476 4.8039  32655.46   1277.24  32937.57   1948.22  32442.80   1691.44  246.424 7.2994  244.611 6.3843  1.812408       9.697412  
1 1 1 5   43  1  o 460.571 7.6822  115081.60  3832.25  116868.90  5420.34  113295.20  5418.91  463.733 10.792  456.563 10.958  7.169952       15.37998  
1 1 1 5   43  2  o 194.368 3.7067  20468.04   780.335  20910.34   1103.14  20025.06   1103.98  196.417 5.1854  192.210 5.3029  4.206512       7.416827  
1 1 1 5   43  3  o 307.772 5.4291  51347.41   1809.80  52004.63   2559.90  50690.67   2558.98  309.590 7.6342  305.646 7.7300  3.943451       10.86435  
1 1 1 5   43  4  o 399.656 6.7762  86638.55   2933.21  87290.05   4148.47  85987.23   4147.89  400.838 9.5554  397.826 9.6264  3.012024       13.56367  
1 1 1 5   43  5  o 100.215 2.6902  5440.35    292.003  5765.59    415.356  5122.54    410.596  103.155 3.7176  97.229  3.8989  5.925102       5.387230  
1 1 1 5   43  6  o 209.029 3.9952  23677.61   904.503  23984.92   1280.84  23371.90   1277.48  210.313 5.6229  207.605 5.6813  2.707855       7.993382  
1 1 1 5   43  7  o 136.527 3.1281  10098.78   462.564  9814.56    658.787  10375.16   649.638  134.560 4.5202  138.355 4.3352  -3.794708      6.263082  
1 1 1 5   43  8  o 392.461 6.6767  83593.74   2838.13  82338.19   4014.86  84847.87   4012.58  389.067 9.5274  394.979 9.3795  -5.911621      13.36962  
1 1 1 5   43  9  o 394.003 7.7755  84337.10   3318.16  80158.59   5750.53  86422.74   4062.72  382.796 13.870  398.551 9.4116  -15.75479      16.76153  
1 1 1 5   43  10 f 110.207 2.8194  6580.53    336.546  7058.36    694.996  6434.16    384.652  114.059 5.6258  108.966 3.2592  5.093216       6.501646  
1 1 1 5   43  11 o 566.209 9.5175  174611.50  5836.71  162557.70  11677.07 178626.09  6738.96  541.135 19.923  572.185 10.874  -31.05023      22.69747  
1 1 1 5   43  12 o 343.583 5.9168  64083.12   2201.87  62533.37   4411.86  64597.17   2540.94  338.133 12.047  344.825 6.8034  -6.692078      13.83495  
1 1 1 5   43  13 o 444.619 7.4545  107497.80  3589.84  112893.60  7184.56  105702.40  4144.25  452.994 14.643  440.568 8.6849  12.42673       17.02502  
1 1 1 5   43  14 o 150.270 3.2932  12239.46   535.993  11874.75   1076.23  12359.76   618.101  147.811 6.7225  150.986 3.7797  -3.175125      7.712167  
1 1 1 5   43  15 o 155.037 3.8952  13034.93   654.084  12135.74   1136.37  13480.44   799.870  149.363 7.0244  157.616 4.6854  -8.252975      8.443655  
1 1 1 5   43  16 o 70.669  3.0640  2707.19    234.526  2404.05    485.436  2799.49    267.860  66.114  6.8798  71.855  3.4418  -5.740601      7.692698  
1 1 1 5   43  17 f 219.387 4.1714  26121.29   991.202  26858.79   1982.59  25875.52   1144.51  221.772 8.2538  218.272 4.8412  3.499847       9.568851  
1 1 1 5   43  18 o 124.255 3.1102  8373.47    418.577  7924.42    837.245  8523.12    483.314  120.416 6.4428  125.331 3.5604  -4.915108      7.361134  
1 1 1 5   43  19 o 33.482  2.0030  609.774    72.306   1237.28    350.962  581.959    73.891   47.049  7.1088  32.700  2.0974  14.34956       7.411705  
1 1 1 5   43  20 o 158.119 3.3854  13580.96   579.781  11999.21   1147.22  14123.53   671.900  147.846 7.1642  161.175 3.8489  -13.32849      8.132598  
1 1 1 5   43  21 o 145.760 3.3005  11550.19   521.053  13069.18   1074.85  11083.58   595.731  154.219 6.4349  142.685 3.8548  11.53400       7.501162  
1 1 1 5   43  22 o 59.954  3.8536  1967.40    248.914  1665.84    522.261  2056.03    283.142  53.753  9.3076  61.219  4.2974  -7.466003      10.25182  
1 1 1 5   43  23 o 82.431  3.2308  3700.28    288.452  3859.92    612.471  3654.78    326.986  83.121  6.8644  81.853  3.6883  1.268158       7.792560  
1 1 1 5   43  24 o 51.051  4.1654  1436.54    228.313  1026.10    500.798  1544.22    256.523  41.189  11.013  52.861  4.5240  -11.67197      11.90575  
1 1 1 5   43  25 o 79.270  3.3874  3433.69    290.834  3329.33    612.137  3464.11    330.522  76.422  7.4917  79.520  3.8376  -3.098007      8.417428  
1 1 1 5   43  26 o 59.770  3.9095  1971.16    251.695  2096.67    542.541  1936.74    284.119  59.625  8.6539  59.075  4.4736  0.5495224      9.741824  
1 1 1 5   43  27 o 48.794  4.5562  1331.07    238.008  2095.26    521.001  1129.53    267.558  59.419  8.3240  44.525  5.6773  14.89369       10.07575  
1 1 1 5   43  28 o 24.225  7.4783  346.115    215.898  347.025    484.238  345.889    241.198  27.294  10.883  24.373  7.9513  2.920876       13.47860  
1 1 1 5   43  29 o 33.686  7.2146  695.695    255.295  708.243    507.373  691.441    295.417  32.312  11.508  33.041  8.2734  -0.7292366     14.17323  
1 1 1 5   43  30 o 24.939  8.8857  396.778    302.523  0.0000     0.0000   396.778    302.523  ?       ?       24.939  8.8857  0.000000       8.885667  
1 1 1 5   43  31 o 18.378  8.3118  -26.8456   354.079  0.0000     0.0000   -26.8456   354.079  ?       ?       18.378  8.3118  0.000000       8.311769  
1 1 1 5   43  32 o 31.630  9.9769  773.517    381.988  0.0000     0.0000   773.517    381.988  ?       ?       31.630  9.9769  0.000000       9.976936  
1 1 1 5   43  33 o 43.144  9.1766  1365.49    415.626  0.0000     0.0000   1365.49    415.626  ?       ?       43.144  9.1766  0.000000       9.176592  
1 1 1 5   44  0  f 132.620 2.9662  9527.52    426.071  10042.59   602.927  9013.72    602.185  136.140 4.0889  128.974 4.3108  7.166046       5.941565  
1 1 1 5   44  1  o 384.392 7.0105  80147.04   2918.72  81380.61   4509.86  79257.98   3828.66  386.918 10.762  382.027 9.2530  4.891205       14.19256  
1 1 1 5   44  2  o 201.561 3.7370  22011.95   815.829  22698.01   1153.95  21326.34   1153.56  204.633 5.2064  198.347 5.3696  6.285217       7.479312  
1 1 1 5   44  3  o 158.203 3.2984  13559.25   565.185  13598.06   799.628  13520.52   798.958  158.398 4.6609  157.946 4.6703  0.4525146      6.598136  
1 1 1 5   44  4  o 266.456 4.8852  38484.15   1409.86  38264.76   1994.25  38703.36   1993.44  265.574 6.9330  267.095 6.8908  -1.520660      9.774945  
1 1 1 5   44  5  o 138.064 3.0991  10326.87   463.426  10612.27   656.456  10043.33   654.314  139.932 4.3313  136.127 4.4378  3.805191       6.201160  
1 1 1 5   44  6  o 540.246 8.9365  158613.70  5229.13  160602.59  7395.77  156625.50  7394.44  542.693 12.582  535.885 12.740  6.808228       17.90576  
1 1 1 5   44  7  o 316.193 5.5136  54220.84   1888.25  54372.18   2671.99  54069.88   2668.79  316.409 7.7968  315.526 7.8092  0.8822632      11.03514  
1 1 1 5   44  8  o 277.642 4.9367  41796.93   1484.53  41379.38   2101.40  42212.93   2097.49  276.077 7.0276  278.852 6.9447  -2.774902      9.880116  
1 1 1 5   44  9  o 186.783 3.7015  18908.01   748.828  18845.20   1061.83  18970.17   1056.20  186.401 5.2594  187.021 5.2142  -0.6194611     7.406009  
1 1 1 5   44  10 o 70.798  2.7384  2715.67    209.984  2905.11    444.457  2661.24    238.251  72.953  5.6695  70.080  3.1389  2.872841       6.480381  
1 1 1 5   44  11 o 204.887 3.8986  22756.18   865.162  22969.85   1740.66  22686.08   997.038  205.540 7.8189  204.538 4.5006  1.001923       9.021692  
1 1 1 5   44  12 f 311.330 5.4812  52600.96   1848.27  51151.64   3701.80  53082.24   2133.20  306.001 11.169  312.646 6.2995  -6.644470      12.82315  
1 1 1 5   44  13 o 27.763  4.6300  429.323    134.318  483.073    304.152  416.301    149.708  29.609  8.8226  27.237  5.2652  2.372080       10.27424  
1 1 1 5   44  14 o 177.887 3.8012  17157.42   732.383  15273.94   1398.81  17868.72   859.625  167.528 7.7091  181.502 4.3728  -13.97469      8.862921  
1 1 1 5   44  15 o 334.154 8.2489  60857.50   2985.48  58858.24   4221.78  62857.37   4222.44  327.491 11.902  338.577 11.514  -11.08612      16.56016  
1 1 1 5   44  16 o 288.821 5.1297  45301.61   1604.69  46283.16   3213.76  44975.61   1852.10  290.733 10.206  287.642 5.9449  3.091003       11.81104  
1 1 1 5   44  17 o 148.449 3.4234  11952.31   550.440  12117.33   1064.96  11892.16   642.986  149.166 6.5916  148.034 4.0102  1.132645       7.715684  
1 1 1 5   44  18 o 105.515 2.9818  6038.06    340.775  5948.64    690.297  6066.87    391.852  104.310 6.1370  105.742 3.4214  -1.432716      7.026328  
1 1 1 5   44  19 o 145.629 3.2922  11511.98   519.276  10399.75   1031.01  11890.01   601.080  137.695 6.9354  147.949 3.7510  -10.25433      7.884797  
1 1 1 5   44  20 o 95.658  2.9379  4967.65    304.391  4696.43    603.545  5060.17    352.506  92.449  6.0611  96.507  3.3724  -4.058006      6.936090  
1 1 1 5   44  21 o 42.230  2.2285  970.277    101.571  1194.06    484.892  960.008    103.875  45.256  10.143  42.000  2.2921  3.256424       10.39905  
1 1 1 5   44  22 o 59.190  3.9004  1918.72    248.651  1666.14    521.176  1993.15    282.928  53.729  9.2921  60.249  4.3653  -6.519989      10.26636  
1 1 1 5   44  23 o 67.489  3.4756  2489.64    253.196  2088.54    549.943  2597.54    285.224  60.322  8.6662  68.871  3.8389  -8.549011      9.478381  
1 1 1 5   44  24 o 38.745  5.1371  840.901    210.264  972.094    474.942  808.919    234.496  40.136  10.722  37.787  5.9244  2.348915       12.24987  
1 1 1 5   44  25 o 41.500  4.9460  963.770    217.936  1661.09    487.348  789.463    243.657  53.178  8.7669  37.127  6.2835  16.05109       10.78616  
1 1 1 5   44  26 o 24.268  1.1873  319.371    31.206   -289.6670  458.262  322.209    31.279   19.732  9.1213  24.375  1.1848  -4.642960      9.197925  
1 1 1 5   44  27 o 92.404  3.2515  4681.87    325.417  5095.03    692.827  4564.92    368.607  94.221  6.8355  91.063  3.7373  3.158562       7.790471  
1 1 1 5   44  28 o 27.484  7.2207  455.460    217.736  296.052    483.547  496.003    243.858  26.450  10.759  28.558  7.7056  -2.108698      13.23358  
1 1 1 5   44  29 o 19.519  7.3724  189.308    213.102  -313.3109  356.968  467.617    265.628  16.172  7.6574  27.206  8.2764  -11.03388      11.27540  
1 1 1 5   44  30 o 22.914  9.4635  250.723    381.369  0.0000     0.0000   250.723    381.369  ?       ?       22.914  9.4635  0.000000       9.463479  
1 1 1 5   44  31 o 22.194  9.4140  221.486    392.950  0.0000     0.0000   221.486    392.950  ?       ?       22.194  9.4140  0.000000       9.413960  
1 1 1 5   44  32 f 26.752  1.8899  394.464    54.407   0.0000     0.0000   394.464    54.407   ?       ?       26.752  1.8899  0.000000       1.889871  
1 1 1 5   44  33 o 19.183  8.7621  25.272     405.747  0.0000     0.0000   25.272     405.747  ?       ?       19.183  8.7621  0.000000       8.762056  
1 1 1 5   45  0  o 330.169 5.7570  59103.75   2058.74  58786.08   2911.95  59421.21   2911.04  329.088 8.1696  330.865 8.1232  -1.777374      11.52083  
1 1 1 5   45  1  o 458.762 7.7045  114216.10  3828.28  115787.90  5414.74  112645.20  5413.27  461.435 10.834  455.103 10.982  6.331055       15.42670  
1 1 1 5   45  2  o 280.151 4.8939  42540.80   1484.96  42014.81   2100.33  43066.53   2099.78  278.289 6.9682  281.757 6.8806  -3.467743      9.792811  
1 1 1 5   45  3  o 372.708 6.2403  75339.59   2519.10  78356.02   3563.34  72325.88   3561.74  379.835 8.6615  364.883 9.0123  14.95142       12.49975  
1 1 1 5   45  4  o 345.093 6.0295  64588.07   2253.65  63810.87   3187.50  65364.93   3186.80  342.752 8.5862  346.913 8.4813  -4.161163      12.06877  
1 1 1 5   45  5  o 124.080 2.9851  8340.84    401.172  8240.92    576.734  8434.50    558.396  123.309 4.3183  124.753 4.1326  -1.444061      5.977122  
1 1 1 5   45  6  f 231.131 4.1112  28953.09   1029.18  29686.12   1457.32  28223.74   1453.66  233.952 5.7512  228.109 5.8837  5.843246       8.227636  
1 1 1 5   45  7  o 165.081 3.4072  14766.57   609.202  15260.35   865.453  14281.62   857.682  167.773 4.7627  162.299 4.8791  5.473663       6.818280  
1 1 1 5   45  8  o 92.110  2.6641  4596.36    265.782  4655.46    387.106  4543.65    365.563  92.681  3.8563  91.564  3.6861  1.116661       5.334612  
1 1 1 5   45  9  o 279.922 4.9994  42495.14   1515.74  41967.31   2145.68  43020.91   2141.50  277.971 7.1268  281.451 7.0250  -3.479279      10.00707  
1 1 1 5   45  10 o 196.085 3.8780  20841.65   823.613  23298.64   1569.29  19907.58   967.585  207.104 6.9959  191.601 4.6625  15.50316       8.407246  
1 1 1 5   45  11 o 435.798 7.8955  103279.10  3726.79  107267.90  6909.51  101642.60  4425.76  441.998 14.433  431.943 9.4600  10.05508       17.25700  
1 1 1 5   45  12 o 140.240 3.1273  10658.39   475.027  11129.75   964.599  10507.48   545.798  143.160 6.2209  139.228 3.6194  3.932037       7.197237  
1 1 1 5   45  13 o 331.155 5.7576  59540.54   2065.11  60989.50   4136.34  59059.45   2383.41  333.908 11.437  329.670 6.6750  4.238281       13.24251  
1 1 1 5   45  14 o 246.766 4.5056  33034.39   1204.22  34768.43   2412.60  32459.03   1389.72  252.538 8.8204  244.531 5.2471  8.006302       10.26313  
1 1 1 5   45  15 o 206.247 5.6378  23108.11   1259.41  22637.53   1780.26  23579.57   1781.90  203.806 8.0648  208.029 7.9084  -4.222641      11.29535  
1 1 1 5   45  16 o 133.533 3.1319  9667.04    452.971  9597.54    918.927  9689.35    520.616  132.820 6.3877  133.663 3.5961  -0.8427277     7.330436  
1 1 1 5   45  17 o 239.128 4.4451  31050.82   1151.29  30081.41   2305.63  31372.81   1328.80  234.367 9.0829  240.262 5.1063  -5.895050      10.41983  
1 1 1 5   45  18 o 229.016 4.3029  28495.08   1067.34  27886.48   2136.59  28697.46   1232.09  225.426 8.7508  229.709 4.9522  -4.282883      10.05487  
1 1 1 5   45  19 o 129.954 3.1556  9166.83    444.169  8366.78    881.208  9439.33    514.277  123.503 6.6116  131.826 3.6019  -8.322586      7.529065  
1 1 1 5   45  20 o 105.094 3.0481  5998.25    346.958  6399.45    728.294  5880.46    394.616  107.886 6.2596  104.009 3.5029  3.876411       7.173049  
1 1 1 5   45  21 o 85.748  3.1883  3997.72    296.107  4125.73    620.849  3960.03    336.892  86.282  6.6959  85.290  3.6469  0.9916992      7.624637  
1 1 1 5   45  22 o 98.008  3.1658  5226.60    336.061  5631.45    701.774  5106.13    382.808  100.787 6.4627  96.796  3.6513  3.990829       7.422884  
1 1 1 5   45  23 o 94.983  3.1969  4914.65    328.882  5462.64    689.328  4753.15    374.220  99.049  6.4609  93.316  3.7026  5.733170       7.446608  
1 1 1 5   45  24 o 25.474  6.9395  375.001    196.666  336.574    454.258  383.865    218.172  27.793  10.699  25.813  7.4130  1.980072       13.01644  
1 1 1 5   45  25 o 54.980  4.1753  1670.04    246.778  1774.89    520.078  1639.57    280.349  54.806  9.0791  54.296  4.8172  0.5097885      10.27794  
1 1 1 5   45  26 o 46.243  4.6027  1193.75    227.471  1451.45    503.656  1127.71    254.955  48.732  9.8804  44.692  5.3747  4.039261       11.24770  
1 1 1 5   45  27 o 39.316  1.4329  839.187    61.019   1079.27    88.357   620.287    84.369   44.553  1.8310  33.655  2.3288  10.89725       2.962447  
1 1 1 5   45  28 o 17.461  7.0744  95.429     208.124  53.714     472.049  105.494    231.878  23.048  10.050  18.334  7.4532  4.713261       12.51195  
1 1 1 5   45  29 o 18.224  7.5475  101.443    243.554  -568.5239  483.168  329.667    282.003  17.352  8.3960  23.706  8.5637  -6.353416      11.99294  
1 1 1 5   45  30 o 28.549  10.067  568.385    387.356  0.0000     0.0000   568.385    387.356  ?       ?       28.549  10.067  0.000000       10.06713  
1 1 1 5   45  31 o 45.364  8.9136  1410.63    422.342  0.0000     0.0000   1410.63    422.342  ?       ?       45.364  8.9136  0.000000       8.913561  
1 1 1 5   45  32 o 18.821  8.4781  32.415     364.151  0.0000     0.0000   32.415     364.151  ?       ?       18.821  8.4781  0.000000       8.478086  
1 1 1 5   45  33 o 20.873  9.0298  204.676    374.969  0.0000     0.0000   204.676    374.969  ?       ?       20.873  9.0298  0.000000       9.029756  
1 1 1 5   46  0  o 576.646 9.6244  180705.70  6011.10  181626.41  8501.71  179785.41  8500.23  577.114 13.601  574.162 13.669  2.952148       19.28271  
1 1 1 5   46  1  o 567.567 9.2442  175020.91  5682.74  178326.09  8037.38  171717.00  8035.84  571.999 12.973  561.231 13.220  10.76843       18.52200  
1 1 1 5   46  2  o 340.768 5.8218  62970.60   2148.77  64235.80   3039.50  61706.53   3038.13  343.954 8.1589  337.097 8.3211  6.857239       11.65370  
1 1 1 5   46  3  o 90.271  2.6781  4414.29    261.849  4439.22    370.953  4389.52    369.670  90.512  3.7839  90.004  3.7921  0.5082092      5.357087  
1 1 1 5   46  4  o 214.211 4.0694  24867.63   944.145  25045.73   1335.59  24689.72   1334.85  214.901 5.7381  213.367 5.7761  1.534836       8.141802  
1 1 1 5   46  5  o 437.970 7.4608  104141.50  3539.15  101793.90  5005.18  106489.00  5005.06  432.434 10.686  442.345 10.447  -9.910828      14.94428  
1 1 1 5   46  6  o 549.758 9.1787  164335.70  5465.41  161129.50  7729.63  167541.30  7728.87  543.226 13.137  554.017 12.880  -10.79089      18.39810  
1 1 1 5   46  7  o 243.564 4.4886  32159.68   1184.11  32310.91   1676.92  32009.29   1672.26  244.011 6.3450  242.869 6.3572  1.142548       8.981774  
1 1 1 5   46  8  o 188.895 3.7374  19338.32   764.643  19145.94   1084.81  19528.29   1077.96  187.878 5.3310  189.750 5.2451  -1.871506      7.478637  
1 1 1 5   46  9  o 120.751 2.9552  7900.30    386.494  7990.20    553.688  7814.86    539.748  121.403 4.2108  120.066 4.1505  1.337593       5.912504  
1 1 1 5   46  10 o 180.167 5.1676  17608.92   1008.41  15893.98   1429.63  19307.04   1422.60  170.990 7.7194  188.523 6.9670  -17.53329      10.39849  
1 1 1 5   46  11 o 245.242 4.4626  32614.99   1185.37  32593.97   2379.14  32621.94   1367.14  244.657 8.9782  245.213 5.1475  -0.5552368     10.34920  
1 1 1 5   46  12 o 149.145 3.1994  12055.52   516.826  13071.63   1047.42  11728.51   594.199  155.141 6.2334  147.089 3.7298  8.052139       7.264042  
1 1 1 5   46  13 o 91.154  2.6533  4502.33    261.955  4277.72    575.631  4560.99    294.181  88.544  6.0383  91.740  2.9606  -3.195938      6.725069  
1 1 1 5   46  14 o 312.182 6.3558  52968.58   2149.05  50509.71   3724.92  54195.39   2631.10  303.665 11.325  315.511 7.6993  -11.84604      13.69462  
1 1 1 5   46  15 o 220.661 4.8035  26429.78   1148.02  27390.09   1993.81  25953.50   1404.13  224.136 8.2130  218.531 5.9323  5.605515       10.13144  
1 1 1 5   46  16 o 226.175 4.2477  27762.81   1040.57  28265.67   2087.15  27596.47   1200.40  227.489 8.4708  225.414 4.9167  2.074280       9.794307  
1 1 1 5   46  17 o 167.687 3.5065  15255.11   636.855  15665.19   1280.44  15120.32   734.096  169.479 6.9755  166.894 4.0611  2.585312       8.071516  
1 1 1 5   46  18 o 183.031 3.6992  18188.82   733.325  18468.13   1469.08  18096.13   846.305  183.730 7.3824  182.484 4.2818  1.245102       8.534277  
1 1 1 5   46  19 o 96.686  2.9490  5073.34    308.820  4541.03    624.857  5245.39    355.238  90.899  6.3873  98.282  3.3371  -7.383224      7.206534  
1 1 1 5   46  20 o 195.454 3.8521  20787.91   815.485  21850.08   1643.91  20441.22   939.189  199.000 7.6270  193.654 4.4777  5.345230       8.844301  
1 1 1 5   46  21 o 146.972 3.4677  11755.51   552.014  11397.39   1087.89  11879.69   640.610  143.640 6.9926  147.625 4.0065  -3.984497      8.059067  
1 1 1 5   46  22 o 98.236  3.1607  5251.65    336.293  5713.28    706.883  5116.60    382.332  101.487 6.4645  96.887  3.6434  4.600113       7.420494  
1 1 1 5   46  23 o 170.323 3.5953  15833.01   663.260  16621.43   1342.25  15578.31   762.909  172.526 7.1831  168.720 4.1748  3.805313       8.308163  
1 1 1 5   46  24 o 90.996  3.2139  4517.11    316.761  4688.53    666.817  4467.16    359.969  91.336  6.7891  90.390  3.6768  0.9457474      7.720808  
1 1 1 5   46  25 o 32.074  1.2154  557.834    42.221   81.992     458.026  561.912    42.402   23.885  10.149  32.191  1.2161  -8.306196      10.22137  
1 1 1 5   46  26 o 56.447  2.4712  1736.53    151.080  1601.59    531.717  1748.39    157.575  51.132  9.9591  56.624  2.5693  -5.492023      10.28518  
1 1 1 5   46  27 o 64.330  3.9431  2291.62    273.417  2121.00    569.741  2342.68    311.649  59.129  9.1951  64.846  4.4644  -5.717518      10.22155  
1 1 1 5   46  28 o 49.698  4.3832  1387.78    233.527  1761.12    530.384  1297.99    260.096  52.779  9.6330  47.746  5.1088  5.033848       10.90388  
1 1 1 5   46  29 o 13.519  6.3401  -189.0057  234.410  -214.4012  467.678  -180.4853  270.895  19.499  9.0821  14.834  6.9104  4.664378       11.41218  
1 1 1 5   46  30 o 31.366  9.6180  691.866    357.795  0.0000     0.0000   691.866    357.795  ?       ?       31.366  9.6180  0.000000       9.617984  
1 1 1 5   46  31 o 27.551  10.132  555.904    397.333  0.0000     0.0000   555.904    397.333  ?       ?       27.551  10.132  0.000000       10.13249  
1 1 1 5   46  32 o 35.804  10.278  1012.39    419.509  0.0000     0.0000   1012.39    419.509  ?       ?       35.804  10.278  0.000000       10.27849  
1 1 1 5   47  0  o 336.952 5.8655  61571.78   2140.63  60545.24   3027.98  62597.41   3026.64  333.891 8.3729  339.519 8.2305  -5.627655      11.74084  
1 1 1 5   47  1  o 506.944 8.3048  139568.70  4559.92  144413.30  6449.66  134726.91  6447.75  514.986 11.563  497.318 11.970  17.66800       16.64303  
1 1 1 5   47  2  o 150.339 3.2364  12245.48   526.997  12010.19   744.875  12481.29   745.697  148.854 4.6201  151.748 4.5370  -2.893799      6.475340  
1 1 1 5   47  3  o 164.365 3.3848  14637.71   602.580  14591.71   852.156  14683.70   852.199  164.065 4.7955  164.582 4.7807  -0.5168457     6.771374  
1 1 1 5   47  4  o 109.946 2.8396  6548.70    338.145  6522.08    478.633  6575.22    477.788  109.702 4.0283  110.148 4.0049  -0.4465027     5.680303  
1 1 1 5   47  5  o 336.604 5.8466  61458.19   2131.55  60909.01   3014.72  62007.18   3014.22  334.821 8.3131  337.836 8.2376  -3.014862      11.70323  
1 1 1 5   47  6  o 182.378 3.4345  18023.52   678.439  19262.65   961.886  16796.82   957.048  188.494 4.7115  176.003 5.0205  12.49080       6.884969  
1 1 1 5   47  7  o 71.722  2.2561  2786.51    175.257  2979.59    224.922  2488.14    279.610  74.159  2.8002  67.648  3.8319  6.511917       4.746063  
1 1 1 5   47  8  o 160.832 3.2623  14016.89   568.283  14330.87   807.588  13708.91   799.816  162.575 4.5863  159.006 4.6442  3.569427       6.527079  
1 1 1 5   47  9  o 57.516  2.9496  1797.16    183.128  1687.91    277.233  1881.74    243.919  55.598  4.6464  58.794  3.8516  -3.196228      6.035236  
1 1 1 5   47  10 o 274.667 5.6664  40941.71   1685.72  40279.38   2926.14  41270.71   2062.32  271.845 9.9381  275.628 6.9082  -3.782837      12.10325  
1 1 1 5   47  11 o 232.037 4.2928  29195.31   1078.87  30805.34   2165.75  28663.90   1244.24  237.915 8.4046  229.863 4.9977  8.052582       9.778224  
1 1 1 5   47  12 o 306.385 5.7504  50962.31   1908.25  50601.86   3560.11  51107.62   2260.39  304.350 10.800  306.669 6.8052  -2.319275      12.76514  
1 1 1 5   47  13 o 111.615 2.9051  6751.29    351.201  7492.81    741.131  6536.55    398.823  117.462 5.8254  109.813 3.3532  7.648926       6.721567  
1 1 1 5   47  14 o 163.597 3.9354  14515.00   697.320  13856.92   1213.36  14839.55   852.092  159.594 7.0195  165.360 4.7576  -5.766663      8.479810  
1 1 1 5   47  15 o 180.259 4.3970  17632.33   858.475  17299.15   1394.23  17835.78   1089.50  178.244 7.2219  181.188 5.5517  -2.944107      9.109180  
1 1 1 5   47  16 o 249.259 4.8201  33744.26   1301.30  33160.66   2440.07  33976.22   1538.32  246.167 9.1517  249.973 5.6818  -3.805817      10.77201  
1 1 1 5   47  17 o 81.974  2.9836  3644.11    264.906  3576.91    541.019  3665.30    303.819  80.790  6.2309  82.194  3.4127  -1.403717      7.104269  
1 1 1 5   47  18 o 144.070 3.2600  11264.85   508.707  11171.47   1015.96  11296.09   587.685  143.002 6.5594  144.218 3.7623  -1.215927      7.561766  
1 1 1 5   47  19 o 130.633 3.1233  9265.47    441.906  8935.72    872.527  9379.23    512.497  127.782 6.3043  131.377 3.6017  -3.594902      7.260634  
1 1 1 5   47  20 o 144.949 3.2956  11420.99   517.387  11587.59   1054.27  11368.14   593.811  145.149 6.7061  144.525 3.7935  0.6239319      7.704648  
1 1 1 5   47  21 o 148.805 3.3676  12049.74   542.757  11514.88   1094.89  12224.00   624.948  144.310 7.0049  149.765 3.8527  -5.455582      7.994511  
1 1 1 5   47  22 o 37.204  5.1907  773.899    203.465  697.101    449.563  793.682    228.171  34.765  10.801  37.546  5.7976  -2.781055      12.25879  
1 1 1 5   47  23 o 110.782 3.1766  6687.87    381.151  7079.63    790.395  6569.16    435.081  112.693 6.5032  109.682 3.6624  3.011627       7.463546  
1 1 1 5   47  24 o 48.646  4.2692  1308.30    222.664  1142.39    501.463  1349.04    248.505  43.324  10.740  49.295  4.7118  -5.971352      11.72828  
1 1 1 5   47  25 o 28.097  6.7208  461.744    201.773  363.022    465.270  484.611    223.926  28.054  10.820  28.705  7.2116  -0.6513119     13.00321  
1 1 1 5   47  26 o 30.667  6.5282  550.904    210.183  440.605    476.971  577.483    234.142  29.171  11.027  31.251  7.0813  -2.080046      13.10478  
1 1 1 5   47  27 o 32.519  5.9510  614.466    201.881  194.481    488.300  701.055    221.717  25.409  10.618  34.727  6.1183  -9.317661      12.25496  
1 1 1 5   47  28 o 52.583  4.3704  1554.79    246.647  1494.82    539.541  1570.63    277.321  47.476  10.743  52.593  4.9257  -5.117245      11.81869  
1 1 1 5   47  29 o 26.413  8.4301  450.455    272.107  0.0000     0.0000   450.455    272.107  ?       ?       26.413  8.4301  0.000000       8.430123  
1 1 1 5   47  30 o 45.555  9.3063  1416.08    443.663  0.0000     0.0000   1416.08    443.663  ?       ?       45.555  9.3063  0.000000       9.306320  
1 1 1 5   47  31 o 31.137  10.258  742.412    401.067  0.0000     0.0000   742.412    401.067  ?       ?       31.137  10.258  0.000000       10.25787  
1 1 1 5   47  32 o 21.045  9.0120  211.209    366.301  0.0000     0.0000   211.209    366.301  ?       ?       21.045  9.0120  0.000000       9.012000  
1 1 1 5   48  0  o 25.089  4.4859  351.537    117.427  419.027    171.513  291.987    161.109  27.266  5.9729  22.857  6.3036  4.409576       8.683939  
1 1 1 5   48  1  o 223.403 4.0913  27047.96   989.966  27597.51   1398.86  26496.59   1401.19  225.583 5.7253  221.030 5.8529  4.552307       8.187556  
1 1 1 5   48  2  f 209.247 3.9774  23728.12   901.426  23977.49   1275.01  23478.92   1274.61  210.272 5.5984  208.071 5.6558  2.200577       7.958015  
1 1 1 5   48  3  o 200.984 4.0774  21892.39   887.594  22007.45   1338.99  21802.20   1185.48  201.416 6.1378  200.510 5.4587  0.9056091      8.213997  
1 1 1 5   48  4  o 175.038 3.6818  16602.85   698.020  16368.83   1039.77  16794.85   941.783  173.730 5.5258  176.002 4.9404  -2.271667      7.412265  
1 1 1 5   48  5  o 261.358 4.7480  37033.52   1344.05  37104.63   1901.11  36962.46   1900.43  261.464 6.7131  260.962 6.7236  0.5023193      9.501230  
1 1 1 5   48  6  o 172.002 3.4106  16031.44   635.383  17306.66   901.642  14773.47   895.523  178.665 4.6593  165.058 5.0092  13.60738       6.841186  
1 1 1 5   48  7  f 135.991 3.0018  10020.22   442.148  10531.79   630.579  9525.46    620.135  139.386 4.1769  132.555 4.3194  6.830948       6.008586  
1 1 1 5   48  8  o 326.684 5.6669  57905.33   2005.13  59569.03   2838.42  56248.03   2832.96  331.045 7.9162  321.652 8.1318  9.393066       11.34867  
1 1 1 5   48  9  o 521.969 8.6805  148248.20  4907.52  144421.50  6941.19  152073.00  6939.38  513.897 12.471  527.466 12.147  -13.56879      17.40852  
1 1 1 5   48  10 o 138.074 3.6425  10333.53   544.733  9586.29    955.374  10693.49   663.078  132.851 6.6395  140.431 4.3594  -7.580032      7.942808  
1 1 1 5   48  11 o 102.670 2.8341  5711.84    315.163  6121.26    646.557  5584.24    360.949  106.046 5.6495  101.507 3.2831  4.538956       6.534202  
1 1 1 5   48  12 o 80.198  2.7787  3485.17    241.365  3154.07    506.957  3582.23    274.470  75.951  6.2171  81.301  3.1170  -5.349388      6.954697  
1 1 1 5   48  13 o 175.345 3.5567  16668.63   675.483  15104.68   1358.50  17182.29   778.547  166.603 7.5285  177.999 4.0383  -11.39575      8.543152  
1 1 1 5   48  14 o 35.713  5.2012  706.931    195.277  729.234    340.424  695.993    238.399  35.857  8.8252  35.227  6.4872  0.6292992      10.95300  
1 1 1 5   48  15 o 311.377 6.3545  52742.17   2143.06  51329.16   3713.86  53447.56   2624.01  305.738 11.215  313.116 7.7373  -7.377777      13.62522  
1 1 1 5   48  16 o 154.968 3.3366  13024.63   560.042  12752.46   1124.81  13114.35   645.781  152.985 6.7882  155.464 3.8352  -2.478333      7.796721  
1 1 1 5   48  17 o 143.222 3.2488  11128.26   503.967  10888.46   1011.16  11207.52   581.314  141.281 6.6079  143.691 3.7352  -2.409805      7.590558  
1 1 1 5   48  18 o 97.615  2.8397  5169.37    300.231  5242.92    628.047  5147.58    341.817  97.837  5.9551  97.383  3.2407  0.4543915      6.779784  
1 1 1 5   48  19 o 56.141  3.3417  1718.34    202.277  2134.53    409.068  1583.64    232.720  62.151  6.1579  53.804  4.0226  8.347076       7.355298  
1 1 1 5   48  20 o 88.415  3.1266  4248.63    299.413  5004.19    623.972  4022.62    341.269  95.299  6.0768  85.974  3.6649  9.324661       7.096424  
1 1 1 5   48  21 o 48.509  2.2627  1277.26    118.886  1003.92    455.359  1297.26    123.157  41.319  10.229  48.885  2.3260  -7.565155      10.49046  
1 1 1 5   48  22 o 23.024  6.9280  297.626    186.871  171.039    403.075  332.284    210.907  24.370  9.8551  24.312  7.3700  0.5799294E-01  12.30615  
1 1 1 5   48  23 o 27.237  6.4502  428.316    187.346  1161.13    439.386  265.488    207.116  44.318  9.4427  22.228  7.3738  22.08946       11.98075  
1 1 1 5   48  24 o 87.021  3.3246  4135.67    313.350  4532.95    653.767  4017.18    357.033  89.696  6.7795  85.643  3.8490  4.053131       7.795926  
1 1 1 5   48  25 o 55.475  3.9575  1699.01    236.229  2101.03    524.909  1596.91    264.531  59.940  8.3088  53.593  4.6019  6.347294       9.498079  
1 1 1 5   48  26 o 54.003  2.2749  1588.42    133.062  1929.20    523.825  1564.91    137.575  56.796  8.7999  53.589  2.3703  3.207405       9.113541  
1 1 1 5   48  27 o 41.307  5.1732  969.676    226.370  568.134    504.444  1070.93    253.307  31.109  11.421  43.301  5.5272  -12.19169      12.68769  
1 1 1 5   48  28 o 62.519  3.9524  2184.15    266.257  1729.75    574.883  2308.25    300.421  50.868  10.770  64.067  4.3552  -13.19901      11.61704  
1 1 1 5   48  29 o 52.048  5.8820  1606.06    325.772  0.0000     0.0000   1606.06    325.772  ?       ?       52.048  5.8820  0.000000       5.882040  
1 1 1 5   48  30 f 29.486  10.114  625.919    389.596  0.0000     0.0000   625.919    389.596  ?       ?       29.486  10.114  0.000000       10.11444  
1 1 1 5   48  31 o 29.441  9.7569  646.238    362.652  0.0000     0.0000   646.238    362.652  ?       ?       29.441  9.7569  0.000000       9.756907  
1 1 1 5   48  32 o 26.461  10.097  539.690    402.246  0.0000     0.0000   539.690    402.246  ?       ?       26.461  10.097  0.000000       10.09653  
1 1 1 5   49  0  o 293.207 5.1209  46612.42   1626.25  47626.15   2301.06  45600.77   2298.68  296.211 7.1723  289.830 7.3226  6.381042       10.24996  
1 1 1 5   49  1  o 522.711 8.6772  148471.80  4912.57  152045.80  6948.36  144899.80  6946.49  528.102 12.148  515.458 12.442  12.64380       17.38902  
1 1 1 5   49  2  o 457.794 7.6489  113803.10  3792.63  110935.80  5363.89  116669.90  5363.29  451.347 10.972  462.928 10.697  -11.58139      15.32353  
1 1 1 5   49  3  o 217.337 4.0796  25600.65   960.339  25406.55   1358.19  25794.71   1358.06  216.424 5.7941  218.074 5.7497  -1.649658      8.162728  
1 1 1 5   49  4  o 70.102  2.6326  2662.26    199.884  2766.67    283.688  2559.33    281.680  71.357  3.6831  68.615  3.8051  2.741440       5.295711  
1 1 1 5   49  5  o 96.353  2.6669  5029.60    278.323  4779.62    382.703  5310.26    405.504  93.911  3.7625  98.987  3.7822  -5.075592      5.334934  
1 1 1 5   49  6  o 273.000 4.9212  40415.02   1455.13  40994.00   2059.00  39837.31   2056.74  274.770 6.9186  270.856 7.0109  3.913757       9.849802  
1 1 1 5   49  7  o 299.075 5.2561  48516.80   1702.61  48493.80   2409.64  48539.73   2406.08  298.765 7.4465  298.908 7.4319  -0.1433105     10.52064  
1 1 1 5   49  8  o 171.107 3.4823  15867.15   645.355  16734.71   917.628  15018.10   907.791  175.663 4.8230  166.398 5.0369  9.264008       6.973671  
1 1 1 5   49  9  o 277.201 4.9803  41679.99   1495.29  40989.88   2117.22  42366.75   2112.10  274.667 7.1169  279.259 6.9829  -4.592041      9.970514  
1 1 1 5   49  10 o 258.238 4.6602  36168.47   1303.46  37084.78   1846.02  35257.40   1840.74  261.302 6.5226  254.766 6.6709  6.536331       9.329819  
1 1 1 5   49  11 o 204.372 3.9487  22645.24   874.063  20897.83   1755.29  23221.40   1007.91  195.950 8.2705  206.920 4.4973  -10.97009      9.414197  
1 1 1 5   49  12 o 220.478 4.1466  26361.19   990.208  27224.51   1989.31  26076.83   1141.70  223.611 8.2137  219.234 4.8081  4.377548       9.517503  
1 1 1 5   49  13 o 282.483 5.0376  43312.16   1541.30  44191.27   3089.89  43020.96   1778.34  284.381 10.032  281.423 5.8343  2.958160       11.60485  
1 1 1 5   49  14 o 264.185 6.0428  37933.75   1729.07  35637.65   2732.30  39467.48   2233.10  255.294 9.8814  269.178 7.6595  -13.88354      12.50235  
1 1 1 5   49  15 o 302.979 6.1912  49936.24   2031.70  49832.63   3522.85  49987.88   2486.97  301.291 10.795  302.797 7.5831  -1.506012      13.19259  
1 1 1 5   49  16 o 136.627 3.2115  10123.91   475.247  10435.28   936.164  10015.80   551.611  138.430 6.2439  135.859 3.7486  2.570694       7.282722  
1 1 1 5   49  17 o 158.753 3.5109  13679.09   603.686  13820.30   1164.32  13627.17   705.994  159.092 6.7570  158.386 4.1154  0.7057190      7.911650  
1 1 1 5   49  18 o 43.874  3.7752  1053.57    177.648  777.940    371.836  1135.10    202.219  36.825  9.3157  45.504  4.1486  -8.678631      10.19772  
1 1 1 5   49  19 o 137.249 3.2215  10233.67   478.891  11097.22   972.865  9957.50    550.161  142.285 6.3128  135.307 3.7540  6.977097       7.344707  
1 1 1 5   49  20 o 147.627 3.3808  11854.32   540.581  11909.00   1089.80  11836.48   622.575  146.974 6.8459  147.410 3.8994  -0.4354248     7.878581  
1 1 1 5   49  21 o 104.730 3.0737  5965.68    348.660  6303.84    723.754  5863.49    397.871  106.753 6.2873  103.757 3.5404  2.996590       7.215568  
1 1 1 5   49  22 o 40.211  4.7334  898.315    202.208  1072.26    435.184  850.422    228.355  42.628  9.6503  38.918  5.5768  3.710007       11.14578  
1 1 1 5   49  23 o 39.438  4.7105  866.144    197.228  646.263    435.557  922.858    221.206  33.385  10.667  40.624  5.1426  -7.238735      11.84171  
1 1 1 5   49  24 o 125.662 3.2442  8623.15    441.555  9195.77    900.830  8442.06    506.585  128.016 6.5185  124.156 3.7672  3.859528       7.528774  
1 1 1 5   49  25 o 12.061  5.6016  -145.6264  175.880  -215.6391  444.257  -132.6136  191.529  20.100  9.1761  12.930  5.9480  7.169994       10.93526  
1 1 1 5   49  26 o 64.199  3.6103  2271.73    250.020  2743.66    563.741  2156.17    278.955  68.556  7.7268  62.363  4.1536  6.193417       8.772500  
1 1 1 5   49  27 o 45.788  4.5449  1178.14    222.417  813.214    512.583  1262.79    246.868  35.334  11.594  47.287  4.8908  -11.95292      12.58380  
1 1 1 5   49  28 o 60.852  2.3023  2025.70    151.741  2225.11    183.010  1587.06    271.430  63.671  2.6538  52.793  4.7993  10.87801       5.484148  
1 1 1 5   49  29 o 36.546  9.5740  918.563    383.502  0.0000     0.0000   918.563    383.502  ?       ?       36.546  9.5740  0.000000       9.573987  
1 1 1 5   49  30 o 28.083  9.6319  553.889    353.307  0.0000     0.0000   553.889    353.307  ?       ?       28.083  9.6319  0.000000       9.631934  
1 1 1 5   49  31 o 19.883  8.8096  85.938     376.309  0.0000     0.0000   85.938     376.309  ?       ?       19.883  8.8096  0.000000       8.809569  
1 1 1 5   49  32 o 18.787  8.4316  46.368     356.398  0.0000     0.0000   46.368     356.398  ?       ?       18.787  8.4316  0.000000       8.431590  
1 1 1 5   50  0  o 82.413  2.5098  3679.23    224.029  3732.07    298.913  3611.51    338.399  82.993  3.3253  81.635  3.8272  1.358345       5.070045  
1 1 1 5   50  1  o 360.892 6.2177  70662.77   2430.40  70086.67   3437.60  71238.53   3436.61  359.083 8.8387  362.033 8.7642  -2.949951      12.44725  
1 1 1 5   50  2  f 38.449  3.2564  806.759    134.339  790.651    190.042  822.847    189.927  37.895  4.7334  38.685  4.6245  -0.7895813     6.617485  
1 1 1 5   50  3  o 70.275  2.6446  2675.43    201.292  2757.06    286.087  2595.39    283.273  71.230  3.7211  69.099  3.7996  2.131187       5.318254  
1 1 1 5   50  4  o 110.827 2.8699  6654.48    344.499  6486.26    487.840  6821.81    486.553  109.392 4.1174  112.189 4.0042  -2.796509      5.743352  
1 1 1 5   50  5  o 210.689 3.9481  24059.87   900.961  24372.88   1274.57  23747.27   1273.73  211.967 5.5517  209.225 5.6208  2.742447       7.900252  
1 1 1 5   50  6  o 122.898 2.9809  8183.69    396.792  8105.24    560.232  8262.66    562.071  122.276 4.2301  123.459 4.2034  -1.182526      5.963430  
1 1 1 5   50  7  o 172.075 3.5057  16047.12   653.369  16218.58   927.116  15877.93   920.922  172.929 4.9499  171.102 4.9693  1.826691       7.013964  
1 1 1 5   50  8  o 161.396 3.3575  14116.68   586.926  14600.90   835.466  13644.84   824.716  164.085 4.7010  158.617 4.8005  5.467743       6.718934  
1 1 1 5   50  9  o 239.632 4.7506  31144.45   1233.00  30676.99   1636.62  31758.03   1875.05  237.686 6.3573  241.751 7.1610  -4.064758      9.575762  
1 1 1 5   50  10 o 98.897  2.8023  5299.66    300.173  5682.83    440.063  4966.25    410.496  102.382 3.9685  95.709  3.9599  6.672188       5.606214  
1 1 1 5   50  11 o 65.672  2.8104  2336.99    199.902  2195.32    433.950  2375.16    225.221  63.248  6.4238  66.201  3.1411  -2.953251      7.150653  
1 1 1 5   50  12 o 294.046 5.2214  46930.71   1662.93  46299.58   3331.71  47140.10   1919.06  291.043 10.569  294.593 6.0145  -3.549591      12.16061  
1 1 1 5   50  13 o 193.492 3.7792  20302.21   792.018  20826.18   1593.68  20130.35   912.710  195.589 7.5229  192.628 4.3746  2.961334       8.702399  
1 1 1 5   50  14 o 106.542 3.4321  6154.89    396.054  5902.79    696.330  6275.44    481.528  104.008 6.2096  107.551 4.1337  -3.542267      7.459660  
1 1 1 5   50  15 o 275.576 5.7327  41294.30   1711.09  40694.05   2965.99  41593.73   2094.84  272.419 10.052  276.297 7.0001  -3.877930      12.24941  
1 1 1 5   50  16 f 253.770 4.6419  34990.64   1275.86  33758.16   2554.09  35400.45   1472.78  247.958 9.5102  255.117 5.3300  -7.159607      10.90194  
1 1 1 5   50  17 o 34.892  4.2703  671.472    158.012  74.806     325.483  855.454    180.739  21.200  8.7481  39.441  4.3006  -18.24117      9.748017  
1 1 1 5   50  18 o 144.761 3.3225  11380.33   520.932  10847.05   1016.33  11570.36   606.688  140.735 6.6674  145.896 3.8393  -5.160858      7.693835  
1 1 1 5   50  19 f 170.161 3.5409  15745.00   652.602  16803.38   1329.12  15408.79   749.121  174.740 7.0226  168.214 4.1117  6.525940       8.137768  
1 1 1 5   50  20 o 166.428 3.7106  15083.39   668.870  14255.30   1295.59  15384.31   780.999  160.453 7.4550  167.922 4.2941  -7.468887      8.603302  
1 1 1 5   50  21 o 72.791  3.2334  2883.72    254.920  2736.47    548.172  2924.36    287.951  69.833  7.3582  73.255  3.6292  -3.421532      8.204510  
1 1 1 5   50  22 f 32.009  5.5172  579.864    184.370  312.170    419.946  643.781    205.204  26.970  10.310  33.691  5.8347  -6.721146      11.84669  
1 1 1 5   50  23 o 90.664  3.1199  4480.92    306.365  3672.68    635.183  4725.96    349.736  80.585  7.3586  93.037  3.4707  -12.45189      8.135963  
1 1 1 5   50  24 o 68.403  3.5303  2566.47    260.658  2725.74    536.712  2517.30    298.185  69.124  7.2781  67.596  4.0921  1.528267       8.349613  
1 1 1 5   50  25 o 18.581  7.0200  149.969    193.249  -47.2997   435.840  198.242    215.601  21.661  9.5446  20.348  7.4668  1.313238       12.11830  
1 1 1 5   50  26 o 54.805  2.2740  1636.24    134.984  1116.21    527.308  1672.70    139.636  41.643  11.371  55.404  2.3269  -13.76187      11.60669  
1 1 1 5   50  27 o 40.495  5.2532  936.741    224.977  774.947    509.662  975.897    250.727  34.491  11.570  41.125  5.7892  -6.633480      12.93758  
1 1 1 5   50  28 o 71.090  3.6848  2819.89    282.750  2399.47    610.588  2934.66    319.017  60.733  9.6015  72.280  4.0918  -11.54730      10.43704  
1 1 1 5   50  29 o 17.506  7.9352  -70.8731   324.812  0.0000     0.0000   -70.8731   324.812  ?       ?       17.506  7.9352  0.000000       7.935191  
1 1 1 5   50  30 o 80.699  5.6778  3873.47    493.108  0.0000     0.0000   3873.47    493.108  ?       ?       80.699  5.6778  0.000000       5.677775  
1 1 1 5   50  31 o 23.767  9.3683  367.775    354.990  0.0000     0.0000   367.775    354.990  ?       ?       23.767  9.3683  0.000000       9.368343  
1 1 1 5   50  32 o 22.130  9.3716  269.909    388.426  0.0000     0.0000   269.909    388.426  ?       ?       22.130  9.3716  0.000000       9.371635  
1 1 1 5   51  0  o 34.665  3.4642  657.660    128.326  645.239    178.073  671.080    185.091  34.142  4.9607  34.818  5.0558  -0.6765785     7.083031  
1 1 1 5   51  1  o 227.881 4.5227  28151.45   1116.28  27603.01   1697.36  28569.44   1481.83  225.494 6.9497  229.481 5.9619  -3.986374      9.156556  
1 1 1 5   51  2  o 251.423 4.5014  34268.67   1225.82  33364.00   1733.91  35172.62   1733.22  247.947 6.4565  254.592 6.2855  -6.645874      9.010771  
1 1 1 5   51  3  o 129.276 3.0013  9054.87    420.242  8897.18    595.134  9211.69    593.494  128.114 4.2889  130.361 4.2034  -2.247223      6.005263  
1 1 1 5   51  4  o 90.711  2.5866  4457.75    254.134  4400.51    344.086  4526.46    376.958  90.112  3.5254  91.388  3.8083  -1.275330      5.189606  
1 1 1 5   51  5  o 270.326 4.8631  39626.96   1423.88  38902.60   2013.82  40351.10   2013.51  267.659 6.9466  272.610 6.8194  -4.950836      9.734388  
1 1 1 5   51  6  o 189.376 3.7173  19437.70   762.477  19600.09   1079.05  19275.75   1077.56  190.089 5.2410  188.508 5.2777  1.581467       7.437864  
1 1 1 5   51  7  o 205.195 3.9104  22823.51   869.076  23134.61   1231.62  22514.99   1226.52  206.494 5.5068  203.706 5.5590  2.787628       7.824814  
1 1 1 5   51  8  o 221.790 4.1618  26669.06   999.750  26394.12   1416.84  26941.69   1410.90  220.516 5.9321  222.799 5.8467  -2.282852      8.329106  
1 1 1 5   51  9  o 162.923 3.4044  14386.22   600.755  14312.45   855.476  14457.99   843.837  162.438 4.8624  163.266 4.7719  -0.8286591     6.812781  
1 1 1 5   51  10 o 203.398 3.8847  22428.86   855.798  23159.03   1214.69  21709.21   1205.92  206.576 5.4290  199.994 5.5671  6.581543       7.776015  
1 1 1 5   51  11 o 92.935  3.2668  4681.28    328.833  4989.14    584.450  4538.69    397.763  95.696  5.6640  91.489  4.0141  4.206429       6.942141  
1 1 1 5   51  12 o 221.714 4.3260  26664.44   1038.84  27236.72   1962.85  26441.76   1224.38  223.625 8.1040  220.714 5.1217  2.910583       9.586800  
1 1 1 5   51  13 o 139.346 3.1493  10525.40   475.305  10799.92   960.992  10436.50   546.880  140.951 6.2948  138.734 3.6395  2.217438       7.271180  
1 1 1 5   51  14 o 204.679 5.6166  22767.71   1245.15  22422.77   1761.81  23111.93   1759.99  202.752 8.0228  205.868 7.8932  -3.115799      11.25464  
1 1 1 5   51  15 f 247.165 5.2555  33205.02   1406.93  32916.40   2439.22  33348.92   1722.30  245.169 9.1858  247.476 6.4255  -2.307190      11.21006  
1 1 1 5   51  16 o 118.625 3.0342  7632.21    389.847  7298.42    781.041  7742.97    449.898  115.549 6.2642  119.454 3.4773  -3.904938      7.164606  
1 1 1 5   51  17 o 164.547 3.5914  14703.32   640.062  13466.72   1230.25  15162.27   749.485  156.817 7.2432  167.020 4.1431  -10.20274      8.344410  
1 1 1 5   51  18 o 69.992  2.9120  2659.19    220.755  2264.73    451.904  2782.83    252.995  63.955  6.6197  71.580  3.2633  -7.624931      7.380315  
1 1 1 5   51  19 o 131.205 3.1656  9355.24    449.864  10494.62   922.523  8999.76    515.284  138.295 6.1589  128.606 3.6993  9.689224       7.184442  
1 1 1 5   51  20 o 116.105 3.1539  7331.00    396.618  8013.68    809.680  7115.47    454.937  120.511 6.2244  114.300 3.6748  6.210861       7.228264  
1 1 1 5   51  21 f 131.447 3.2218  9405.48    458.693  9468.45    933.125  9385.42    526.724  130.652 6.6157  131.197 3.7067  -0.5454407     7.583319  
1 1 1 5   51  22 o 40.350  1.6802  883.214    73.432   846.406    430.640  884.317    74.523   37.717  10.266  40.374  1.7042  -2.657619      10.40695  
1 1 1 5   51  23 o 38.998  1.4807  824.898    62.542   824.505    425.419  824.906    63.229   37.048  10.254  38.998  1.4970  -1.949631      10.36242  
1 1 1 5   51  24 o 35.516  1.6419  684.698    63.161   120.739    428.302  697.235    63.860   23.782  9.9420  35.840  1.6451  -12.05827      10.07722  
1 1 1 5   51  25 o 84.405  3.1820  3898.12    290.897  4561.72    613.173  3705.39    330.452  89.750  6.3488  82.140  3.7144  7.610466       7.355500  
1 1 1 5   51  26 o 22.470  7.2251  287.128    199.591  393.179    449.796  261.127    222.719  27.908  10.670  22.016  7.6419  5.891926       13.12430  
1 1 1 5   51  27 o 36.169  5.8046  760.513    219.702  1162.99    500.383  664.394    244.534  41.895  10.917  33.265  7.0082  8.629265       12.97300  
1 1 1 5   51  28 o 47.907  1.8727  1252.42    97.173   960.127    516.500  1263.15    98.939   36.235  11.620  48.107  1.8989  -11.87141      11.77384  
1 1 1 5   51  29 o 18.627  8.3594  -25.8315   350.260  0.0000     0.0000   -25.8315   350.260  ?       ?       18.627  8.3594  0.000000       8.359432  
1 1 1 5   51  30 o 34.925  9.2754  860.782    356.782  0.0000     0.0000   860.782    356.782  ?       ?       34.925  9.2754  0.000000       9.275424  
1 1 1 5   51  31 o 38.669  9.6426  1103.18    402.479  0.0000     0.0000   1103.18    402.479  ?       ?       38.669  9.6426  0.000000       9.642635  
1 1 1 5   51  32 o 29.804  10.195  709.431    395.766  0.0000     0.0000   709.431    395.766  ?       ?       29.804  10.195  0.000000       10.19465  
1 1 1 5   52  0  o 155.306 3.3391  13069.80   561.672  13174.04   794.230  12965.51   794.419  155.880 4.7042  154.639 4.7431  1.240051       6.680293  
1 1 1 5   52  1  o 110.346 2.8249  6596.84    337.627  6811.08    477.192  6382.09    477.763  112.102 3.9302  108.511 4.0651  3.590759       5.654303  
1 1 1 5   52  2  o 237.405 4.3639  30553.46   1122.11  31013.57   1587.66  30094.22   1586.15  239.067 6.1315  235.490 6.2187  3.576797       8.733151  
1 1 1 5   52  3  o 321.201 5.5746  55966.75   1939.38  56929.11   2743.50  55005.52   2741.90  323.685 7.8255  318.152 7.9570  5.533447       11.16026  
1 1 1 5   52  4  o 193.402 3.8000  20272.81   796.007  19844.79   1126.37  20699.85   1125.08  191.269 5.4371  195.353 5.3173  -4.084198      7.604995  
1 1 1 5   52  5  o 14.841  5.1920  105.355    102.903  31.631     142.737  185.137    148.486  14.104  5.8033  18.932  6.2417  -4.828279      8.522800  
1 1 1 5   52  6  o 263.993 4.7308  37793.14   1352.69  37678.52   1913.60  37907.63   1912.38  263.413 6.7073  264.215 6.6826  -0.8022766     9.468090  
1 1 1 5   52  7  o 152.754 3.2682  12645.06   540.724  12497.32   768.373  12790.00   761.079  151.806 4.6732  153.578 4.5754  -1.771698      6.540118  
1 1 1 5   52  8  o 154.402 3.2675  12919.76   546.429  13504.67   778.793  12352.61   766.879  157.806 4.5565  150.918 4.6915  6.887360       6.540027  
1 1 1 5   52  9  o 154.017 3.2751  12855.93   546.336  13096.45   780.211  12624.53   765.277  155.393 4.6357  152.568 4.6311  2.825165       6.552607  
1 1 1 5   52  10 o 244.966 4.4731  32546.27   1186.83  32620.96   1682.14  32472.25   1674.76  245.062 6.3374  244.505 6.3240  0.5576630      8.953016  
1 1 1 5   52  11 o 275.043 5.7292  41077.82   1706.74  38562.65   2961.61  42328.49   2088.40  265.698 10.291  279.029 6.9103  -13.33057      12.39605  
1 1 1 5   52  12 o 22.881  5.6253  295.666    138.432  -133.3253  321.844  393.046    153.340  18.101  8.0757  26.412  5.5373  -8.311144      9.791789  
1 1 1 5   52  13 o 205.433 4.8831  22909.85   1086.52  24228.37   1744.76  22074.63   1388.65  210.896 7.6383  201.485 6.3633  9.411362       9.941561  
1 1 1 5   52  14 f 197.292 5.4805  21154.26   1171.13  21242.62   1657.29  21066.13   1655.16  197.355 7.7532  196.530 7.7757  0.8256226      10.98061  
1 1 1 5   52  15 o 198.641 3.8881  21414.99   836.523  19760.05   1677.60  21962.65   965.062  190.117 8.1470  201.100 4.4307  -10.98361      9.273883  
1 1 1 5   52  16 o 120.641 3.0575  7895.23    399.513  7225.19    795.545  8121.20    461.994  114.904 6.4180  122.324 3.4870  -7.420792      7.304106  
1 1 1 5   52  17 o 95.560  2.8730  4954.60    297.356  4588.11    607.409  5070.11    341.013  91.444  6.1688  96.641  3.2579  -5.196854      6.976256  
1 1 1 5   52  18 o 162.091 3.4185  14277.49   600.147  13498.70   1202.08  14536.07   692.648  156.724 7.0815  163.465 3.9122  -6.740799      8.090300  
1 1 1 5   52  19 o 49.672  3.7404  1350.51    199.757  1223.85    470.180  1378.41    220.662  45.933  9.7522  50.132  4.0998  -4.198612      10.57889  
1 1 1 5   52  20 o 145.595 3.3957  11537.44   535.483  12151.77   1065.34  11329.76   619.416  148.381 6.6289  144.147 3.9674  4.234283       7.725451  
1 1 1 5   52  21 o 23.041  6.7986  299.483    181.304  345.149    410.455  288.414    202.087  27.478  10.262  22.903  7.2602  4.574356       12.57022  
1 1 1 5   52  22 o 45.209  4.1744  1127.89    202.094  718.274    453.282  1229.52    225.776  35.013  10.840  47.155  4.4742  -12.14214      11.72749  
1 1 1 5   52  23 o 73.627  3.2697  2958.83    260.744  2721.33    555.982  3025.79    295.224  69.093  7.5524  74.381  3.6645  -5.287888      8.394537  
1 1 1 5   52  24 o 59.627  3.7471  1956.73    240.762  1856.49    500.946  1986.84    274.550  56.280  8.4813  59.948  4.2561  -3.667603      9.489317  
1 1 1 5   52  25 o 23.014  7.1455  303.567    196.783  79.995     419.307  366.717    222.849  22.801  9.6999  25.078  7.5700  -2.276154      12.30415  
1 1 1 5   52  26 o 23.788  7.1198  331.438    197.750  93.131     427.534  396.296    223.043  22.958  9.7812  25.833  7.5176  -2.874596      12.33638  
1 1 1 5   52  27 f 17.269  3.7406  171.312    67.939   448.560    473.923  165.495    68.648   28.299  10.919  16.954  3.8289  11.34472       11.57065  
1 1 1 5   52  28 o 39.393  6.6623  942.915    274.121  0.0000     0.0000   942.915    274.121  ?       ?       39.393  6.6623  0.000000       6.662281  
1 1 1 5   52  29 o 33.895  9.7456  807.199    376.870  0.0000     0.0000   807.199    376.870  ?       ?       33.895  9.7456  0.000000       9.745568  
1 1 1 5   52  30 o 21.374  9.0754  191.034    365.789  0.0000     0.0000   191.034    365.789  ?       ?       21.374  9.0754  0.000000       9.075356  
1 1 1 5   52  31 o 20.117  8.8541  119.770    374.032  0.0000     0.0000   119.770    374.032  ?       ?       20.117  8.8541  0.000000       8.854129  
1 1 1 5   53  0  o 420.342 7.1059  95946.59   3235.11  97764.13   4576.12  94130.63   4574.15  423.746 9.9706  415.755 10.158  7.991150       14.23361  
1 1 1 5   53  1  o 332.742 5.7657  60067.62   2077.91  60314.87   2939.52  59820.68   2937.71  333.126 8.1470  331.754 8.1756  1.371765       11.54186  
1 1 1 5   53  2  f 68.555  2.7224  2546.20    202.141  2641.75    286.325  2451.26    285.419  69.712  3.8065  67.134  3.9426  2.578056       5.480290  
1 1 1 5   53  3  o 291.452 5.4576  46079.14   1722.80  44189.82   2643.47  47474.11   2271.45  285.065 8.5617  295.659 7.0932  -10.59482      11.11828  
1 1 1 5   53  4  o 363.721 6.2071  71804.40   2445.27  74890.47   3459.21  68722.15   3457.07  371.071 8.6070  355.393 8.9811  15.67780       12.43945  
1 1 1 5   53  5  o 192.083 3.9832  20000.06   828.690  20220.62   1246.74  19825.49   1109.17  193.025 5.9634  191.169 5.3569  1.855942       8.016097  
1 1 1 5   53  6  o 249.477 4.8464  33754.89   1309.54  34150.05   1998.19  33457.39   1733.76  250.695 7.3590  248.236 6.4484  2.458572       9.784577  
1 1 1 5   53  7  o 38.405  3.4396  805.790    141.563  834.220    214.334  783.792    188.539  38.867  5.2237  37.723  4.7176  1.143490       7.038645  
1 1 1 5   53  8  o 176.236 3.5342  16834.41   674.622  17284.33   959.030  16393.70   949.165  178.502 4.9604  173.837 5.0411  4.664536       7.072408  
1 1 1 5   53  9  o 78.607  2.7534  3348.08    234.425  3608.94    343.406  3120.43    320.801  81.590  3.8860  75.765  3.9227  5.824753       5.521674  
1 1 1 5   53  10 o 129.839 3.0854  9136.35    433.903  9190.04    624.380  9086.21    603.420  130.169 4.4286  129.437 4.3042  0.7319794      6.175674  
1 1 1 5   53  11 o 163.710 4.1279  14535.42   731.944  14590.56   1206.07  14503.27   920.926  163.816 6.7975  163.459 5.2017  0.3568573      8.559402  
1 1 1 5   53  12 o 277.999 4.9681  41949.50   1495.92  43381.93   2999.07  41475.08   1725.95  281.764 9.8272  276.312 5.7671  5.451813       11.39444  
1 1 1 5   53  13 o 252.971 5.3104  34761.89   1455.01  36282.08   2526.27  34007.30   1779.87  257.699 9.0510  250.009 6.5730  7.690536       11.18592  
1 1 1 5   53  14 o 257.957 5.4408  36170.73   1520.12  35544.45   2636.67  36482.54   1860.45  254.725 9.5568  258.831 6.6364  -4.105911      11.63506  
1 1 1 5   53  15 o 143.102 3.2322  11107.92   500.965  11077.62   1009.14  11117.83   577.096  142.551 6.5360  143.128 3.7227  -0.5766754     7.521780  
1 1 1 5   53  16 o 76.023  2.9019  3135.13    238.942  2903.68    484.009  3209.72    274.758  72.689  6.2072  76.904  3.2986  -4.214539      7.029252  
1 1 1 5   53  17 o 149.187 3.2991  12085.94   533.079  11124.12   1067.62  12405.38   615.266  142.473 6.9185  151.085 3.7599  -8.611115      7.874166  
1 1 1 5   53  18 o 45.904  1.9664  1142.56    97.768   668.686    469.455  1164.04    99.959   34.695  11.073  46.333  1.9919  -11.63823      11.25060  
1 1 1 5   53  19 o 97.162  3.0509  5130.92    321.071  5463.69    683.129  5036.57    363.752  99.470  6.3743  96.211  3.4907  3.258743       7.267494  
1 1 1 5   53  20 o 72.504  3.3152  2860.98    260.339  3260.85    546.073  2743.35    296.163  76.563  6.6512  70.830  3.8752  5.733070       7.697763  
1 1 1 5   53  21 o 77.428  2.6576  3259.29    222.876  3283.61    565.842  3254.82    242.477  76.587  6.8953  77.347  2.8944  -0.7607040     7.478149  
1 1 1 5   53  22 o 118.666 3.1396  7673.92    403.530  7928.93    831.988  7595.48    461.438  119.258 6.4653  117.938 3.6123  1.319389       7.405972  
1 1 1 5   53  23 o 48.645  4.1676  1307.63    217.458  877.736    466.441  1427.02    245.805  38.001  10.815  50.746  4.5195  -12.74542      11.72142  
1 1 1 5   53  24 o 42.464  2.0345  980.197    93.571   557.586    452.380  999.086    95.639   31.295  10.890  42.869  2.0598  -11.57341      11.08269  
1 1 1 5   53  25 o 72.013  2.7038  2830.52    210.889  3324.66    556.690  2747.73    227.873  76.213  6.8159  70.896  2.9676  5.317528       7.433893  
1 1 1 5   53  26 o 40.504  4.9900  929.463    214.285  1290.31    458.690  828.725    242.357  45.507  9.6077  37.795  6.1304  7.712074       11.39691  
1 1 1 5   53  27 o 69.030  3.6022  2646.71    268.394  2644.65    555.273  2647.33    306.587  65.983  7.9284  68.768  4.1355  -2.784248      8.942102  
1 1 1 5   53  28 o 42.048  2.1895  970.806    99.372   0.0000     0.0000   970.806    99.372   ?       ?       42.048  2.1895  0.000000       2.189522  
1 1 1 5   53  29 o 20.966  8.9364  148.494    357.149  0.0000     0.0000   148.494    357.149  ?       ?       20.966  8.9364  0.000000       8.936400  
1 1 1 5   53  30 o 50.106  7.7584  1633.09    407.442  0.0000     0.0000   1633.09    407.442  ?       ?       50.106  7.7584  0.000000       7.758374  
1 1 1 5   53  31 o 43.358  8.3050  1284.64    375.816  0.0000     0.0000   1284.64    375.816  ?       ?       43.358  8.3050  0.000000       8.305003  
1 1 1 5   54  0  o 46.450  3.1691  1174.57    158.486  1126.92    224.695  1221.75    223.574  45.354  4.6395  47.266  4.4185  -1.912205      6.406840  
1 1 1 5   54  1  o 171.651 3.5899  15968.01   667.422  15676.20   943.926  16259.76   943.827  170.011 5.1261  173.151 5.0326  -3.140152      7.183651  
1 1 1 5   54  2  o 386.576 6.5839  81131.63   2756.70  81013.42   3898.66  81249.84   3898.46  385.811 9.3298  386.376 9.3156  -0.5654907     13.18429  
1 1 1 5   54  3  o 275.808 4.8614  41252.70   1452.23  41586.90   2054.32  40918.87   2053.21  276.734 6.8538  274.497 6.9060  2.237427       9.729740  
1 1 1 5   54  4  o 305.831 5.7756  50754.03   1913.13  50530.54   2940.49  50918.07   2519.25  304.738 8.9089  306.102 7.5986  -1.363770      11.70928  
1 1 1 5   54  5  o 385.108 6.5378  80528.28   2726.99  80875.18   3856.64  80181.43   3856.45  385.432 9.2383  383.766 9.2779  1.665344       13.09297  
1 1 1 5   54  6  o 147.666 3.1971  11816.37   511.330  11931.00   724.298  11702.48   721.966  148.332 4.5083  146.904 4.5375  1.428665       6.396352  
1 1 1 5   54  7  o 204.308 4.1466  22631.22   917.594  22281.40   1386.34  22903.94   1224.10  202.569 6.3187  205.446 5.5011  -2.876465      8.377814  
1 1 1 5   54  8  o 143.407 3.2028  11145.29   497.468  11321.08   710.207  10975.97   697.031  144.482 4.5384  142.263 4.5237  2.218613       6.407850  
1 1 1 5   54  9  o 207.631 3.9752  23374.25   893.963  23250.81   1268.68  23495.97   1259.88  206.957 5.6598  208.051 5.5910  -1.094238      7.955652  
1 1 1 5   54  10 o 173.931 3.5135  16399.44   661.885  16685.77   942.458  16120.77   929.763  175.355 4.9622  172.359 4.9804  2.995667       7.030509  
1 1 1 5   54  11 o 65.074  3.2775  2301.26    230.265  2400.25    439.647  2263.85    270.305  66.173  6.2066  64.495  3.8877  1.678108       7.323708  
1 1 1 5   54  12 o 41.510  3.5373  941.074    157.518  547.878    363.600  1031.92    174.770  31.643  9.6945  43.461  3.7495  -11.81791      10.39432  
1 1 1 5   54  13 o 77.686  3.4447  3272.77    289.847  3689.03    507.977  3071.82    352.941  82.182  5.7430  75.107  4.3573  7.074272       7.208910  
1 1 1 5   54  14 o 100.552 3.4168  5484.19    372.120  5085.39    649.728  5678.87    453.947  96.448  6.2534  102.285 4.0975  -5.837822      7.476291  
1 1 1 5   54  15 o 145.229 3.2574  11442.62   512.381  10659.50   1034.65  11697.08   589.781  139.746 6.8357  146.796 3.7094  -7.049881      7.777308  
1 1 1 5   54  16 o 110.006 2.9391  6565.57    350.191  6618.38    712.716  6548.76    402.073  109.966 6.0067  109.832 3.3799  0.1337204      6.892309  
1 1 1 5   54  17 o 265.789 5.1552  38533.19   1484.06  37180.67   2775.90  39074.48   1756.09  258.599 9.9108  267.281 6.0661  -8.682922      11.61984  
1 1 1 5   54  18 o 183.444 3.6895  18308.22   733.070  18805.65   1493.15  18150.24   841.463  184.610 7.4675  182.512 4.2567  2.098511       8.595567  
1 1 1 5   54  19 o 66.580  2.4781  2406.65    178.707  2889.34    534.793  2345.98    189.606  72.029  6.9409  65.723  2.6636  6.306007       7.434442  
1 1 1 5   54  20 o 46.154  4.1433  1172.15    204.918  1123.81    461.442  1184.03    228.706  43.726  9.9652  46.301  4.6224  -2.574486      10.98507  
1 1 1 5   54  21 o 52.251  3.8657  1499.01    217.220  1469.53    474.507  1506.83    244.324  50.265  9.0486  52.292  4.3533  -2.027611      10.04133  
1 1 1 5   54  22 f 40.599  4.9613  919.884    213.622  608.807    446.668  1012.14    243.244  32.694  10.828  42.502  5.4063  -9.808018      12.10260  
1 1 1 5   54  23 o 101.231 3.0963  5592.21    339.492  6308.56    708.062  5378.37    386.860  106.157 6.1850  99.144  3.6026  7.013176       7.157698  
1 1 1 5   54  24 o 54.793  3.9638  1658.23    233.650  1346.71    492.251  1748.83    265.459  46.976  9.9826  56.152  4.4000  -9.176224      10.90929  
1 1 1 5   54  25 o 49.906  4.4843  1388.70    239.803  1398.66    483.529  1385.46    276.158  47.768  9.6774  49.598  5.2190  -1.830040      10.99498  
1 1 1 5   54  26 o 71.991  3.3893  2850.64    264.273  3010.50    566.964  2806.27    298.707  71.628  7.4155  71.156  3.8906  0.4720154      8.374164  
1 1 1 5   54  27 o 71.949  2.8258  2846.07    220.206  2494.49    571.347  2907.41    238.643  63.268  8.5573  72.637  3.0333  -9.369377      9.079000  
1 1 1 5   54  28 o 30.395  9.2885  622.307    334.025  0.0000     0.0000   622.307    334.025  ?       ?       30.395  9.2885  0.000000       9.288497  
1 1 1 5   54  29 o 36.133  8.8898  886.010    345.531  0.0000     0.0000   886.010    345.531  ?       ?       36.133  8.8898  0.000000       8.889829  
1 1 1 5   54  30 o 34.873  9.1043  861.705    347.573  0.0000     0.0000   861.705    347.573  ?       ?       34.873  9.1043  0.000000       9.104256  
1 1 1 5   54  31 o 41.701  9.1014  1239.37    399.536  0.0000     0.0000   1239.37    399.536  ?       ?       41.701  9.1014  0.000000       9.101359  
1 1 1 5   55  0  o 165.069 3.4558  14766.29   617.854  14562.05   874.204  14970.14   873.352  163.865 4.9256  166.149 4.8531  -2.283600      6.914767  
1 1 1 5   55  1  o 67.040  2.7485  2434.99    199.574  2264.88    285.272  2598.06    279.304  64.508  4.1043  69.134  3.7440  -4.626091      5.555433  
1 1 1 5   55  2  o 96.703  2.7464  5066.61    287.658  5081.58    407.375  5051.73    406.248  96.825  3.8845  96.540  3.8852  0.2848969      5.494031  
1 1 1 5   55  3  o 216.060 3.9284  25304.16   919.305  26528.55   1300.88  24082.72   1299.31  221.132 5.4314  210.673 5.6942  10.45871       7.869217  
1 1 1 5   55  4  o 86.423  2.7553  4046.73    257.910  3924.14    365.999  4167.66    363.494  85.083  3.9716  87.686  3.8273  -2.603317      5.515644  
1 1 1 5   55  5  o 213.970 4.0704  24820.16   943.325  25643.81   1334.89  23998.55   1333.24  217.384 5.6695  210.281 5.8538  7.103226       8.149269  
1 1 1 5   55  6  o 229.849 4.2851  28645.04   1066.77  28750.83   1509.96  28539.61   1507.33  230.134 6.0578  229.286 6.0696  0.8479919      8.575370  
1 1 1 5   55  7  o 193.552 3.7708  20307.46   790.500  20378.98   1119.78  20236.40   1116.10  193.798 5.3348  193.119 5.3359  0.6791687      7.545292  
1 1 1 5   55  8  o 282.389 5.0050  43263.80   1530.80  43889.29   2167.67  42641.52   2162.10  284.170 7.0428  280.089 7.1270  4.080658       10.01975  
1 1 1 5   55  9  o 191.524 3.7715  19887.01   782.362  19631.29   1111.55  20138.07   1101.38  190.178 5.3963  192.626 5.2790  -2.448532      7.549031  
1 1 1 5   55  10 o 231.038 4.2468  28952.05   1062.72  29928.46   1506.93  27985.98   1498.94  234.730 5.9272  226.965 6.0975  7.765121       8.503656  
1 1 1 5   55  11 o 291.463 5.1811  46119.09   1635.60  45354.52   2316.82  46878.76   2309.37  288.664 7.4102  293.503 7.2646  -4.839325      10.37715  
1 1 1 5   55  12 o 229.378 4.2778  28548.67   1062.77  29976.92   2134.04  28077.62   1225.56  234.398 8.4058  227.400 4.9759  6.997360       9.768187  
1 1 1 5   55  13 o 262.916 5.5163  37574.46   1570.86  36219.22   2723.97  38249.72   1922.79  257.108 9.7817  265.034 6.6982  -7.926270      11.85533  
1 1 1 5   55  14 o 326.523 6.6064  58112.04   2336.42  57096.20   4050.56  58618.54   2860.19  321.495 11.632  327.427 8.0651  -5.932617      14.15483  
1 1 1 5   55  15 o 140.386 3.1890  10693.24   484.896  10599.18   977.868  10723.92   558.380  139.358 6.4786  140.545 3.6681  -1.187134      7.444935  
1 1 1 5   55  16 o 125.119 3.0758  8496.42    416.828  7879.87    831.107  8703.62    481.805  119.888 6.4238  126.593 3.5139  -6.705605      7.322109  
1 1 1 5   55  17 o 153.351 3.3557  12777.17   557.361  11531.38   1118.24  13188.96   642.913  144.853 7.1275  155.728 3.8117  -10.87486      8.082676  
1 1 1 5   55  18 o 92.243  3.0153  4622.92    301.255  4249.41    664.689  4719.48    337.959  87.533  7.0714  93.166  3.3492  -5.633522      7.824389  
1 1 1 5   55  19 o 40.330  4.2412  897.038    182.484  666.119    457.482  940.732    199.001  34.358  10.927  41.260  4.5274  -6.902138      11.82787  
1 1 1 5   55  20 o 45.299  2.3189  1117.16    113.395  1935.77    470.867  1066.76    116.834  58.501  7.6116  44.250  2.4473  14.25126       7.995349  
1 1 1 5   55  21 o 110.787 3.1480  6685.41    377.740  7093.75    773.683  6557.61    432.835  112.961 6.3493  109.616 3.6457  3.345657       7.321552  
1 1 1 5   55  22 o 157.438 3.4772  13535.96   592.931  12301.12   1197.84  13936.73   682.398  147.678 7.5136  159.559 3.9486  -11.88127      8.487977  
1 1 1 5   55  23 o 115.442 3.1719  7277.75    396.605  5902.65    816.472  7702.42    453.733  101.835 7.4542  118.645 3.5309  -16.81014      8.248187  
1 1 1 5   55  24 o 73.296  3.3435  2941.43    265.433  2288.55    567.055  3124.62    300.372  62.304  8.6352  75.459  3.6752  -13.15474      9.384771  
1 1 1 5   55  25 o 59.853  3.8270  1979.60    246.795  1786.50    516.263  2036.80    280.980  54.436  9.0758  60.554  4.3123  -6.118271      10.04820  
1 1 1 5   55  26 o 54.387  2.4460  1615.81    144.087  1322.37    507.026  1641.59    150.283  45.176  10.553  54.802  2.5319  -9.626404      10.85234  
1 1 1 5   55  27 o 69.148  3.8411  2674.67    286.542  1774.27    558.339  2996.60    333.862  51.367  10.392  72.949  4.2438  -21.58204      11.22555  
1 1 1 5   55  28 o 25.391  9.2127  403.354    326.885  0.0000     0.0000   403.354    326.885  ?       ?       25.391  9.2127  0.000000       9.212733  
1 1 1 5   55  29 o 60.225  6.5439  2215.70    419.987  0.0000     0.0000   2215.70    419.987  ?       ?       60.225  6.5439  0.000000       6.543865  
1 1 1 5   55  30 o 29.745  9.8051  657.679    366.427  0.0000     0.0000   657.679    366.427  ?       ?       29.745  9.8051  0.000000       9.805143  
1 1 1 5   55  31 o 24.302  9.2369  405.724    335.851  0.0000     0.0000   405.724    335.851  ?       ?       24.302  9.2369  0.000000       9.236872  
1 1 1 5   56  0  f 237.157 4.2972  30492.22   1103.80  30456.72   1561.07  30527.72   1560.93  236.888 6.0843  237.164 6.0767  -0.2766266     8.599084  
1 1 1 5   56  1  o 319.480 5.5612  55377.25   1924.33  56521.75   2722.29  54234.21   2720.56  322.477 7.7941  315.860 7.9523  6.616486       11.13494  
1 1 1 5   56  2  o 206.845 3.9376  23192.08   882.153  23065.23   1248.22  23318.66   1246.89  206.181 5.5895  207.313 5.5530  -1.132156      7.879008  
1 1 1 5   56  3  o 275.552 4.8995  41180.68   1462.27  41804.61   2068.62  40557.54   2067.29  277.432 6.8842  273.251 6.9851  4.181152       9.807317  
1 1 1 5   56  4  o 323.250 5.5728  56698.38   1951.11  58312.03   2759.61  55085.50   2758.95  327.512 7.7795  318.287 8.0031  9.225372       11.16105  
1 1 1 5   56  5  o 209.453 3.9912  23783.00   905.451  23211.58   1281.54  24352.57   1279.46  206.809 5.7213  211.842 5.5763  -5.033295      7.989255  
1 1 1 5   56  6  o 38.179  3.3455  796.035    136.945  512.906    207.410  1014.86    182.343  30.152  6.5392  43.086  3.9513  -12.93396      7.640319  
1 1 1 5   56  7  o 282.593 4.9950  43324.45   1528.85  43716.38   2163.09  42933.21   2161.14  283.621 7.0415  281.060 7.0992  2.560089       9.999125  
1 1 1 5   56  8  o 348.616 5.9965  65995.70   2264.19  66039.26   3203.69  65952.23   3200.39  348.255 8.4934  348.026 8.4903  0.2288208      12.00930  
1 1 1 5   56  9  o 51.620  3.2513  1450.01    180.853  1345.05    280.298  1524.87    236.719  49.497  5.3115  52.862  4.1683  -3.365166      6.751760  
1 1 1 5   56  10 o 260.090 4.7327  36706.61   1333.23  36466.46   1889.41  36944.76   1881.57  258.975 6.7359  260.679 6.6641  -1.703857      9.475418  
1 1 1 5   56  11 o 71.283  3.0107  2754.24    232.449  2704.29    353.580  2792.27    308.480  70.437  4.6610  71.638  3.9915  -1.201927      6.136562  
1 1 1 5   56  12 o 94.113  3.3814  4802.83    344.680  4829.70    606.438  4790.02    418.925  94.059  5.9838  93.958  4.1165  0.1010208      7.263039  
1 1 1 5   56  13 o 270.050 6.8643  39740.66   2007.74  40755.49   2846.02  38735.26   2832.77  272.654 9.6373  265.741 9.8420  6.912994       13.77468  
1 1 1 5   56  14 f 114.448 3.4760  7107.30    430.881  7088.68    753.209  7116.36    525.328  113.902 6.1279  114.467 4.2372  -0.5645065     7.450198  
1 1 1 5   56  15 o 198.279 4.0900  21362.89   878.352  20728.38   1665.03  21607.55   1033.92  194.418 7.9071  199.287 4.7900  -4.868668      9.244793  
1 1 1 5   56  16 o 139.421 3.1766  10553.60   479.687  10383.88   969.725  10608.58   551.946  137.738 6.5002  139.727 3.6471  -1.989014      7.453424  
1 1 1 5   56  17 o 118.920 3.0755  7681.42    396.133  7835.84    843.789  7637.76    448.647  119.309 6.5548  118.530 3.4947  0.7793045      7.428177  
1 1 1 5   56  18 o 191.298 4.0196  19939.00   832.835  20684.44   1606.94  19665.24   973.831  193.296 7.6755  189.756 4.7382  3.539520       9.020249  
1 1 1 5   56  19 o 127.310 3.1608  8815.74    435.846  8957.10    910.198  8773.68    496.466  127.226 6.6282  126.921 3.6115  0.3049850      7.548203  
1 1 1 5   56  20 o 52.672  3.7736  1521.31    213.855  1771.56    488.767  1462.06    237.828  55.628  8.3716  51.534  4.3001  4.093864       9.411372  
1 1 1 5   56  21 o 100.837 2.9219  5535.15    319.124  5384.85    713.389  5572.75    356.815  98.153  6.7515  101.116 3.2580  -2.962410      7.496508  
1 1 1 5   56  22 o 141.516 3.3975  10936.08   520.754  11077.17   1042.01  10889.10   601.218  140.658 6.8397  141.011 3.9365  -0.3536682     7.891617  
1 1 1 5   56  23 o 64.357  2.4720  2254.79    172.312  2134.01    519.522  2269.72    182.651  60.641  8.1132  64.550  2.6125  -3.908932      8.523421  
1 1 1 5   56  24 o 53.045  2.4391  1533.00    140.136  1832.64    497.638  1507.19    146.046  55.661  8.5262  52.580  2.5645  3.080864       8.903491  
1 1 1 5   56  25 o 40.792  5.0750  941.389    219.374  568.284    464.659  1048.41    248.855  31.094  11.019  42.935  5.4761  -11.84137      12.30501  
1 1 1 5   56  26 o 30.508  7.0854  562.776    229.646  482.882    451.246  590.700    266.776  28.811  10.759  30.960  7.9228  -2.149086      13.36171  
1 1 1 5   56  27 o 33.401  8.2082  714.917    294.826  0.0000     0.0000   714.917    294.826  ?       ?       33.401  8.2082  0.000000       8.208192  
1 1 1 5   56  28 o 26.884  9.2300  474.987    324.476  0.0000     0.0000   474.987    324.476  ?       ?       26.884  9.2300  0.000000       9.230008  
1 1 1 5   56  29 o 27.690  9.7792  538.707    365.653  0.0000     0.0000   538.707    365.653  ?       ?       27.690  9.7792  0.000000       9.779212  
1 1 1 5   56  30 o 24.611  9.5374  405.705    362.828  0.0000     0.0000   405.705    362.828  ?       ?       24.611  9.5374  0.000000       9.537407  
1 1 1 5   57  0  o 383.707 6.5606  79944.13   2726.56  80538.09   3856.85  79350.73   3855.03  384.627 9.2581  381.767 9.3231  2.859863       13.13898  
1 1 1 5   57  1  o 114.053 2.8854  7048.20    356.440  6981.26    506.243  7114.00    501.949  113.480 4.1188  114.556 4.0455  -1.075851      5.773256  
1 1 1 5   57  2  o 473.420 7.9401  121854.90  4071.36  123208.40  5758.73  120502.20  5756.82  475.122 11.191  469.835 11.313  5.286926       15.91245  
1 1 1 5   57  3  o 234.590 4.2947  29837.93   1091.22  30630.52   1543.44  29045.79   1543.01  237.553 5.9987  231.312 6.1589  6.241028       8.597469  
1 1 1 5   57  4  o 231.065 4.5213  28952.63   1131.54  29101.78   1720.17  28838.86   1502.33  231.459 6.8616  230.493 6.0178  0.9664764      9.126662  
1 1 1 5   57  5  f 178.176 3.5385  17206.83   682.870  17368.18   966.890  17046.25   964.563  178.935 4.9890  177.267 5.0238  1.668137       7.080144  
1 1 1 5   57  6  o 217.094 4.1206  25553.67   968.898  25681.06   1370.98  25426.56   1369.48  217.506 5.8196  216.423 5.8423  1.082428       8.246169  
1 1 1 5   57  7  o 206.829 3.9620  23193.55   887.554  22969.42   1256.88  23416.48   1253.51  205.704 5.6413  207.702 5.5721  -1.998184      7.929214  
1 1 1 5   57  8  o 287.240 5.1096  44774.51   1589.66  44520.31   2250.12  45027.81   2246.13  286.121 7.2608  287.756 7.2068  -1.635040      10.23019  
1 1 1 5   57  9  o 253.284 4.8848  34813.03   1340.06  33835.45   2049.35  35543.24   1771.19  249.344 7.5883  255.741 6.3943  -6.396942      9.923231  
1 1 1 5   57  10 o 73.366  2.5164  2916.64    199.961  2745.23    350.278  2999.50    243.544  70.982  4.5805  74.391  3.0226  -3.408745      5.487957  
1 1 1 5   57  11 f 265.254 4.7604  38194.37   1367.64  38382.64   1939.30  38008.09   1929.01  265.588 6.7417  264.290 6.7388  1.298492       9.532142  
1 1 1 5   57  12 o 69.491  3.4409  2618.88    258.983  2187.88    470.168  2806.62    310.301  62.992  7.0102  71.809  4.0056  -8.817196      8.073883  
1 1 1 5   57  13 o 179.292 4.4110  17457.42   856.578  19072.79   1410.89  16514.42   1077.98  187.012 6.9655  174.217 5.7128  12.79558       9.008595  
1 1 1 5   57  14 o 137.861 3.2426  10311.85   484.171  10137.01   953.310  10372.62   562.058  136.310 6.4571  138.223 3.7543  -1.912979      7.469209  
1 1 1 5   57  15 o 54.169  3.1837  1598.04    185.965  1662.07    387.371  1578.86    211.991  54.741  6.6715  53.792  3.6603  0.9481201      7.609671  
1 1 1 5   57  16 o 100.333 2.8700  5463.93    311.886  5266.90    638.119  5525.77    357.496  97.948  6.0446  100.865 3.2724  -2.917046      6.873506  
1 1 1 5   57  17 o 65.032  3.1818  2298.09    224.117  2247.54    534.654  2308.86    246.851  63.283  7.9776  65.066  3.5158  -1.783081      8.718012  
1 1 1 5   57  18 o 148.754 3.3154  12035.42   534.169  12081.95   1100.71  12021.09   610.932  147.991 6.8670  148.565 3.7967  -0.5743103     7.846725  
1 1 1 5   57  19 o 96.608  2.8151  5072.82    294.557  4758.66    687.002  5143.58    326.047  92.487  6.9080  97.242  3.0957  -4.755211      7.569917  
1 1 1 5   57  20 o 126.225 3.1501  8675.20    430.666  8421.95    898.257  8750.80    490.748  123.002 6.7685  126.675 3.5768  -3.672874      7.655487  
1 1 1 5   57  21 o 177.320 3.7004  17174.47   710.681  16819.00   1465.69  17283.74   812.595  172.927 7.8254  177.654 4.2231  -4.726074      8.892230  
1 1 1 5   57  22 f 92.898  3.1907  4709.50    321.040  4022.26    669.637  4914.61    365.823  84.167  7.4216  94.811  3.5624  -10.64358      8.232264  
1 1 1 5   57  23 o 48.430  4.0547  1297.32    210.736  1016.03    473.856  1366.67    235.283  40.577  10.648  49.620  4.4243  -9.043270      11.53063  
1 1 1 5   57  24 o 36.104  5.4883  742.679    207.857  358.717    451.959  845.675    234.081  27.586  10.657  38.471  5.7978  -10.88481      12.13240  
1 1 1 5   57  25 f 65.416  3.7688  2366.09    265.898  2404.63    541.101  2353.82    305.302  63.743  8.0147  65.021  4.3604  -1.278683      9.124044  
1 1 1 5   57  26 o 16.639  7.0364  43.933     218.488  52.758     434.399  40.945     252.791  22.077  9.6333  17.607  7.5117  4.470602       12.21581  
1 1 1 5   57  27 o 62.482  3.1227  2160.07    211.329  0.0000     0.0000   2160.07    211.329  ?       ?       62.482  3.1227  0.000000       3.122726  
1 1 1 5   57  28 o 33.643  8.9885  764.547    333.761  0.0000     0.0000   764.547    333.761  ?       ?       33.643  8.9885  0.000000       8.988512  
1 1 1 5   57  29 o 23.416  9.0268  333.426    323.690  0.0000     0.0000   333.426    323.690  ?       ?       23.416  9.0268  0.000000       9.026814  
1 1 1 5   57  30 o 23.206  9.3114  330.438    356.799  0.0000     0.0000   330.438    356.799  ?       ?       23.206  9.3114  0.000000       9.311427  
1 1 1 5   58  0  o 50.129  3.1106  1366.95    168.055  1228.54    244.609  1490.68    231.282  47.349  4.8377  52.276  4.1182  -4.926937      6.353157  
1 1 1 5   58  1  o 98.246  2.8441  5229.85    302.646  5220.42    427.735  5239.30    428.276  98.132  4.0244  98.309  4.0222  -0.1773376     5.689751  
1 1 1 5   58  2  o 49.688  2.9631  1342.57    158.742  1413.13    221.009  1267.36    228.151  50.896  4.0425  48.143  4.4249  2.752522       5.993484  
1 1 1 5   58  3  o 182.968 3.8257  18147.03   758.161  17630.37   1134.42  18564.08   1019.21  180.232 5.8113  184.991 5.0868  -4.758636      7.723116  
1 1 1 5   58  4  f 148.843 3.2029  12005.88   516.348  11920.75   731.876  12090.24   728.589  148.262 4.5576  149.314 4.5052  -1.052689      6.408465  
1 1 1 5   58  5  o 240.097 4.3883  31260.57   1141.18  31104.14   1614.79  31416.65   1612.94  239.332 6.2294  240.535 6.1911  -1.203278      8.782670  
1 1 1 5   58  6  o 214.131 4.0175  24860.65   931.772  24719.00   1318.41  25002.00   1317.04  213.392 5.7043  214.613 5.6659  -1.221466      8.040021  
1 1 1 5   58  7  o 84.951  2.7167  3910.42    249.965  3960.26    361.581  3864.79    345.945  85.464  3.9062  84.431  3.7830  1.033356       5.437767  
1 1 1 5   58  8  o 66.336  2.8554  2384.69    205.157  2279.31    300.716  2476.45    280.599  64.682  4.3172  67.471  3.8557  -2.789566      5.788350  
1 1 1 5   58  9  o 316.966 5.5584  54557.88   1908.22  54106.54   2701.34  55007.41   2695.93  315.209 7.9124  317.841 7.8312  -2.631256      11.13260  
1 1 1 5   58  10 o 169.238 3.6587  15531.52   670.651  15552.45   910.921  15506.75   991.020  169.256 4.9690  168.968 5.4151  0.2878418      7.349420  
1 1 1 5   58  11 o 167.118 3.4823  15145.31   630.310  15583.11   903.840  14730.82   879.446  169.401 4.9261  164.703 4.9299  4.698013       6.969275  
1 1 1 5   58  12 o 108.317 3.4137  6363.50    400.495  5900.29    707.794  6581.64    485.732  103.919 6.3184  110.122 4.0724  -6.203506      7.517135  
1 1 1 5   58  13 o 235.592 5.0860  30181.25   1297.81  29378.93   2255.53  30578.35   1586.80  231.437 8.9980  236.906 6.1841  -5.469086      10.91817  
1 1 1 5   58  14 o 56.081  3.0708  1711.44    185.815  1677.78    401.974  1720.59    209.547  54.987  6.9015  56.195  3.4596  -1.207840      7.720070  
1 1 1 5   58  15 o 26.860  5.3957  407.342    151.525  0.0029     311.201  533.920    173.477  19.544  8.3363  30.852  5.3875  -11.30827      9.925621  
1 1 1 5   58  16 o 80.529  2.8715  3520.53    250.457  2836.06    510.156  3737.90    287.487  71.600  6.6545  82.953  3.1997  -11.35298      7.383821  
1 1 1 5   58  17 f 108.810 2.9645  6431.81    349.376  6034.17    760.499  6538.19    393.341  104.507 6.7548  109.664 3.3116  -5.157021      7.522877  
1 1 1 5   58  18 o 124.466 3.0661  8421.98    413.340  9263.42    874.542  8179.95    469.035  129.761 6.2225  122.588 3.5325  7.173607       7.155306  
1 1 1 5   58  19 o 152.012 3.2865  12579.47   541.098  14073.15   1113.44  12117.64   619.123  159.606 6.4409  149.055 3.8350  10.55142       7.496140  
1 1 1 5   58  20 o 55.058  2.2783  1646.46    135.865  2284.78    498.061  1595.14    141.221  63.605  7.3660  54.184  2.4063  9.420837       7.749117  
1 1 1 5   58  21 o 66.854  3.2978  2437.87    238.789  3124.56    546.934  2276.15    265.422  74.521  6.8530  64.409  3.8218  10.11214       7.846592  
1 1 1 5   58  22 o 127.714 3.2293  8905.96    446.697  9617.25    919.412  8686.17    511.070  131.106 6.4746  125.950 3.7464  5.156532       7.480408  
1 1 1 5   58  23 o 82.355  3.2562  3709.16    290.456  3782.97    612.762  3687.76    329.869  81.482  7.0115  81.997  3.7142  -0.5155487     7.934534  
1 1 1 5   58  24 o 106.314 3.1523  6185.01    362.983  6431.13    754.950  6111.00    413.972  106.396 6.5836  105.501 3.6228  0.8955536      7.514532  
1 1 1 5   58  25 o 9.1035  3.1760  40.619     38.493   -37.0852   435.359  41.232     38.644   21.428  9.4856  9.1503  3.1828  12.27751       10.00533  
1 1 1 5   58  26 o 46.999  4.9942  1262.86    250.335  680.077    485.724  1473.65    292.120  31.960  11.273  50.580  5.4165  -18.61953      12.50658  
1 1 1 5   58  27 o 32.618  8.1962  685.400    289.208  0.0000     0.0000   685.400    289.208  ?       ?       32.618  8.1962  0.000000       8.196230  
1 1 1 5   58  28 o 23.436  9.2736  302.363    349.094  0.0000     0.0000   302.363    349.094  ?       ?       23.436  9.2736  0.000000       9.273647  
1 1 1 5   58  29 o 22.418  9.4181  238.519    387.286  0.0000     0.0000   238.519    387.286  ?       ?       22.418  9.4181  0.000000       9.418112  
1 1 1 5   58  30 o 22.097  9.2063  255.073    365.464  0.0000     0.0000   255.073    365.464  ?       ?       22.097  9.2063  0.000000       9.206255  
1 1 1 5   59  0  o 307.796 5.3763  51402.04   1792.33  51860.78   2536.01  50944.21   2533.46  308.881 7.5803  306.130 7.6408  2.750763       10.76304  
1 1 1 5   59  1  f 312.766 5.4816  53079.99   1856.95  53934.20   2627.62  52227.73   2624.63  314.973 7.7023  309.931 7.8187  5.041107       10.97527  
1 1 1 5   59  2  o 75.120  2.4755  3057.24    201.412  2982.60    259.177  3171.04    320.030  74.187  3.2255  76.385  3.8810  -2.197548      5.046398  
1 1 1 5   59  3  o 252.091 4.5754  34464.57   1249.27  34754.15   1767.47  34175.46   1766.01  252.970 6.4508  250.850 6.4999  2.120361       9.157611  
1 1 1 5   59  4  o 236.121 4.4038  30234.25   1126.25  30406.66   1593.32  30062.08   1592.20  236.634 6.2167  235.286 6.2479  1.347839       8.813784  
1 1 1 5   59  5  o 208.870 4.0209  23654.05   909.630  23030.06   1285.64  24279.54   1287.19  205.968 5.7630  211.494 5.6192  -5.526169      8.049049  
1 1 1 5   59  6  o 154.271 3.3014  12899.46   551.630  12831.63   780.786  12967.06   779.461  153.799 4.6871  154.610 4.6546  -0.8112640     6.605677  
1 1 1 5   59  7  o 97.387  2.8841  5139.71    304.219  4772.71    428.568  5512.47    431.912  93.809  4.2180  100.826 3.9550  -7.017212      5.782179  
1 1 1 5   59  8  o 175.107 3.5565  16623.41   674.530  16529.49   959.657  16715.12   948.304  174.513 5.0771  175.496 4.9889  -0.9838409     7.118069  
1 1 1 5   59  9  f 405.685 6.9138  89535.84   3037.92  88435.37   4298.23  90634.30   4294.32  402.239 9.8659  407.258 9.7354  -5.019348      13.86050  
1 1 1 5   59  10 o 186.085 3.7066  18780.10   747.066  18673.77   1064.47  18883.29   1048.73  185.417 5.3005  186.465 5.1927  -1.048462      7.420202  
1 1 1 5   59  11 o 184.092 3.7031  18383.77   738.372  18628.64   1052.61  18146.54   1036.02  185.158 5.2487  182.748 5.2341  2.409912       7.412512  
1 1 1 5   59  12 o 63.560  3.6241  2199.02    248.460  1638.41    440.978  2459.76    300.739  54.242  7.7242  67.184  4.1532  -12.94186      8.769982  
1 1 1 5   59  13 o 205.069 4.5847  22857.83   1018.32  22700.69   1770.84  22935.46   1244.71  203.593 8.0306  205.232 5.5996  -1.639282      9.790052  
1 1 1 5   59  14 o 221.841 4.2220  26752.17   1014.45  23267.19   2035.41  27903.95   1170.14  205.468 9.1461  226.449 4.7709  -20.98097      10.31566  
1 1 1 5   59  15 o 124.571 3.0633  8424.50    413.318  8739.88    832.559  8321.35    476.134  126.426 6.0801  123.754 3.5522  2.672104       7.041700  
1 1 1 5   59  16 o 47.181  2.3740  1210.71    120.925  1618.24    453.074  1179.45    125.477  53.555  8.0608  46.555  2.4975  6.999428       8.438816  
1 1 1 5   59  17 o 91.646  2.9816  4563.62    295.957  4634.18    629.533  4543.60    335.324  91.595  6.3856  91.400  3.3872  0.1950226      7.228344  
1 1 1 5   59  18 o 85.145  2.6614  3938.03    245.433  3786.55    622.538  3965.91    267.064  82.462  7.0375  85.423  2.8865  -2.960732      7.606490  
1 1 1 5   59  19 f 42.182  4.3230  982.693    194.716  833.277    465.565  1014.37    214.365  37.607  10.837  42.788  4.7031  -5.181030      11.81380  
1 1 1 5   59  20 o 74.354  3.1495  3011.40    253.635  3323.46    571.186  2934.75    283.074  76.979  6.9248  73.342  3.5635  3.636787       7.787893  
1 1 1 5   59  21 o 61.778  2.3391  2074.70    156.515  1177.82    518.176  2164.74    164.184  44.037  10.918  63.098  2.4024  -19.06087      11.17931  
1 1 1 5   59  22 o 101.124 2.9998  5578.68    328.565  5237.41    725.298  5666.79    368.550  96.206  7.0088  101.830 3.3416  -5.624619      7.764606  
1 1 1 5   59  23 o 85.365  2.8777  3977.82    266.070  3748.40    707.486  4015.62    287.151  80.266  8.2557  85.717  3.0930  -5.451035      8.816070  
1 1 1 5   59  24 o 44.035  2.2752  1058.86    108.143  1079.01    476.810  1057.77    111.037  41.392  10.592  44.002  2.3382  -2.609882      10.84680  
1 1 1 5   59  25 o 45.200  4.6243  1150.67    223.197  1732.41    481.847  991.756    251.844  53.334  8.6365  41.489  5.7597  11.84502       10.38094  
1 1 1 5   59  26 o 22.588  7.5572  301.884    217.430  63.307     440.682  378.651    249.976  22.038  9.6571  24.859  8.0940  -2.821217      12.60048  
1 1 1 5   59  27 o 17.715  7.7419  18.016     281.537  0.0000     0.0000   18.016     281.537  ?       ?       17.715  7.7419  0.000000       7.741872  
1 1 1 5   59  28 o 21.609  8.8736  212.289    332.878  0.0000     0.0000   212.289    332.878  ?       ?       21.609  8.8736  0.000000       8.873645  
1 1 1 5   59  29 o 20.869  8.9262  162.320    358.610  0.0000     0.0000   162.320    358.610  ?       ?       20.869  8.9262  0.000000       8.926214  
1 1 1 5   59  30 o 26.641  10.134  517.093    404.458  0.0000     0.0000   517.093    404.458  ?       ?       26.641  10.134  0.000000       10.13399  
1 1 1 5   60  0  o 280.095 5.0035  42558.69   1517.94  43135.38   2147.36  41982.73   2146.00  281.753 7.0367  277.951 7.1284  3.802185       10.01643  
1 1 1 5   60  1  o 234.602 4.6146  29849.32   1172.57  30060.19   1784.00  29688.93   1555.84  235.207 7.0028  233.840 6.1430  1.366959       9.315348  
1 1 1 5   60  2  f 177.161 3.5549  17012.16   682.138  16312.91   965.669  17708.57   963.712  173.400 5.1417  180.679 4.9246  -7.279099      7.119629  
1 1 1 5   60  3  o 87.402  2.7901  4139.24    264.121  4276.49    371.904  3999.57    375.164  88.816  3.8661  85.889  4.0329  2.927757       5.586633  
1 1 1 5   60  4  o 83.703  2.4717  3795.92    224.086  3751.68    294.034  3857.22    346.105  83.200  3.2629  84.350  3.7883  -1.150642      4.999819  
1 1 1 5   60  5  o 291.464 5.5608  46115.21   1755.46  46816.91   2694.08  45597.46   2314.20  293.210 8.4832  289.561 7.3789  3.649200       11.24336  
1 1 1 5   60  6  f 285.579 5.0737  44258.69   1569.37  44939.68   2220.28  43578.76   2218.55  287.476 7.1308  283.073 7.2361  4.403595       10.15916  
1 1 1 5   60  7  o 273.737 4.8564  40660.75   1439.86  42632.98   2038.29  38696.30   2034.27  280.042 6.7201  266.750 7.0410  13.29221       9.733172  
1 1 1 5   60  8  o 113.582 2.9193  6992.05    359.137  6937.81    514.519  7043.59    501.522  113.093 4.2004  113.958 4.0633  -0.8648453     5.844110  
1 1 1 5   60  9  o 150.196 3.2753  12230.16   532.824  12671.46   762.540  11809.12   744.825  152.800 4.6076  147.505 4.6621  5.294647       6.554714  
1 1 1 5   60  10 o 257.579 4.6717  36020.28   1303.32  36369.11   1849.01  35675.81   1837.39  258.501 6.6040  256.021 6.6261  2.480011       9.355086  
1 1 1 5   60  11 o 159.704 3.9177  13840.74   677.669  15267.11   1183.04  13144.14   826.748  167.429 6.5237  155.543 4.9074  11.88614       8.163442  
1 1 1 5   60  12 o 141.395 4.5814  10863.01   701.618  10215.47   997.110  11498.04   987.436  136.854 6.7269  145.258 6.2762  -8.404144      9.200116  
1 1 1 5   60  13 o 139.084 3.6817  10503.15   554.624  10446.45   974.299  10530.34   674.592  138.328 6.5030  139.177 4.4751  -0.8492279     7.893989  
1 1 1 5   60  14 o 143.559 3.2180  11187.83   500.362  10654.40   1010.21  11361.23   575.976  139.539 6.6842  144.614 3.6773  -5.074875      7.628920  
1 1 1 5   60  15 o 136.049 3.1620  10052.23   465.933  9309.85    941.014  10293.35   536.287  130.120 6.6997  137.613 3.5981  -7.492920      7.604764  
1 1 1 5   60  16 o 84.793  2.9474  3905.06    270.684  4294.15    592.534  3802.45    304.291  88.257  6.2388  83.634  3.3592  4.622101       7.085697  
1 1 1 5   60  17 o 88.205  3.0712  4228.87    293.411  3472.75    615.616  4451.11    333.758  78.952  7.2811  90.455  3.4067  -11.50319      8.038660  
1 1 1 5   60  18 o 75.992  3.1478  3141.42    259.088  3057.72    564.878  3163.71    291.565  73.971  7.1392  76.217  3.5319  -2.245621      7.965089  
1 1 1 5   60  19 o 108.072 3.0688  6356.64    359.211  7275.40    762.739  6094.79    407.194  114.600 6.1677  105.732 3.5557  8.867455       7.119236  
1 1 1 5   60  20 o 49.826  3.7921  1363.88    203.111  1367.86    488.433  1363.05    223.337  48.147  9.7014  49.734  4.1850  -1.586754      10.56560  
1 1 1 5   60  21 o 78.767  3.1553  3384.12    269.190  3718.35    596.406  3298.61    301.666  81.240  6.8417  77.685  3.5852  3.555023       7.724178  
1 1 1 5   60  22 o 124.361 3.2444  8449.94    437.012  7201.15    901.316  8833.75    499.675  112.501 7.4389  127.012 3.6322  -14.51058      8.278276  
1 1 1 5   60  23 o 65.053  3.4536  2324.98    242.470  2351.38    551.492  2318.65    269.962  63.399  8.2252  64.850  3.8610  -1.450649      9.086263  
1 1 1 5   60  24 f 81.261  3.4821  3626.63    306.473  3288.39    615.732  3738.02    353.354  75.073  7.6807  82.330  3.9626  -7.257195      8.642627  
1 1 1 5   60  25 o 32.346  6.4342  620.666    217.485  575.402    456.510  633.955    247.360  30.521  10.911  32.371  7.2368  -1.850454      13.09275  
1 1 1 5   60  26 o 28.910  7.5471  523.806    238.852  0.0000     0.0000   523.806    238.852  ?       ?       28.910  7.5471  0.000000       7.547056  
1 1 1 5   60  27 o 19.955  8.2421  146.732    289.308  0.0000     0.0000   146.732    289.308  ?       ?       19.955  8.2421  0.000000       8.242106  
1 1 1 5   60  28 o 19.043  8.2653  71.908     316.247  0.0000     0.0000   71.908     316.247  ?       ?       19.043  8.2653  0.000000       8.265297  
1 1 1 5   60  29 o 33.420  9.5084  807.431    360.602  0.0000     0.0000   807.431    360.602  ?       ?       33.420  9.5084  0.000000       9.508410  
1 1 1 5   60  30 o 25.295  9.4445  443.956    347.652  0.0000     0.0000   443.956    347.652  ?       ?       25.295  9.4445  0.000000       9.444452  
1 1 1 5   61  0  o 199.255 3.9116  21524.47   844.180  21410.19   1193.52  21638.88   1194.18  198.616 5.5481  199.676 5.5217  -1.060028      7.827562  
1 1 1 5   61  1  o 593.680 9.8953  192216.00  6362.87  196490.91  8999.87  187943.80  8997.04  598.222 13.890  584.884 14.202  13.33728       19.86553  
1 1 1 5   61  2  o 352.810 6.5012  67617.74   2484.31  68075.54   3831.36  67285.63   3263.31  353.257 10.014  351.543 8.5706  1.713409       13.18058  
1 1 1 5   61  3  o 205.053 3.9190  22796.65   870.374  22327.08   1232.38  23263.96   1229.41  202.807 5.6104  207.030 5.4827  -4.222336      7.844501  
1 1 1 5   61  4  o 200.337 3.8611  21760.56   837.815  22419.64   1186.75  21105.69   1182.96  203.236 5.3912  197.179 5.5391  6.057861       7.729609  
1 1 1 5   61  5  o 241.750 4.4529  31700.68   1165.95  31693.47   1650.75  31707.86   1647.05  241.529 6.3102  241.585 6.2946  -0.5671692E-01 8.912942  
1 1 1 5   61  6  o 88.047  2.7389  4200.92    261.196  4091.24    373.363  4306.05    365.536  86.860  3.9686  89.117  3.7871  -2.256447      5.485605  
1 1 1 5   61  7  o 76.120  2.8367  3140.19    233.871  3007.31    337.983  3262.26    323.950  74.341  4.2149  77.562  3.8562  -3.221031      5.712786  
1 1 1 5   61  8  o 243.329 4.4902  32129.18   1183.40  32021.06   1675.48  32236.81   1671.69  242.673 6.3745  243.495 6.3386  -0.8216553     8.989581  
1 1 1 5   61  9  o 151.041 3.2847  12369.22   537.355  12717.36   768.548  12036.26   751.606  153.062 4.6359  148.905 4.6603  4.156952       6.573406  
1 1 1 5   61  10 o 62.962  2.9900  2149.22    203.903  2300.98    326.273  2051.96    261.190  64.928  4.6708  61.369  3.9505  3.559380       6.117414  
1 1 1 5   61  11 o 143.176 3.7442  11124.23   580.629  10534.68   1013.76  11412.05   708.316  139.014 6.7330  144.950 4.5117  -5.935577      8.104815  
1 1 1 5   61  12 o 92.082  4.1517  4605.75    414.062  4125.01    593.200  5062.54    578.232  86.741  6.3584  96.266  5.5695  -9.525406      8.452719  
1 1 1 5   61  13 o 126.334 3.0433  8660.03    416.422  9490.60    847.335  8395.56    478.149  131.897 5.9313  124.346 3.5503  7.550873       6.912632  
1 1 1 5   61  14 o 133.105 3.1244  9618.54    450.426  8872.19    911.247  9859.85    518.152  127.114 6.6418  134.715 3.5512  -7.601387      7.531509  
1 1 1 5   61  15 o 99.952  2.7947  5423.29    302.546  5143.26    637.389  5504.74    343.738  96.713  6.1163  100.667 3.1526  -3.953560      6.881019  
1 1 1 5   61  16 o 119.898 3.0758  7811.43    399.435  7624.47    831.521  7867.52    455.420  117.579 6.5555  120.268 3.4962  -2.689110      7.429502  
1 1 1 5   61  17 o 110.946 3.0547  6691.29    367.072  5686.61    762.093  6994.79    418.861  101.242 6.9928  113.381 3.4108  -12.13927      7.780255  
1 1 1 5   61  18 o 112.665 3.0949  6905.85    377.669  6544.18    776.418  7017.94    432.253  108.594 6.6330  113.500 3.5162  -4.906303      7.507315  
1 1 1 5   61  19 o 90.103  2.7717  4415.18    270.495  4554.51    653.585  4386.38    297.136  90.359  6.7264  89.768  3.0561  0.5912170      7.388080  
1 1 1 5   61  20 o 54.289  3.6874  1617.25    215.534  1674.30    501.127  1604.30    238.744  53.632  8.9418  53.983  4.1142  -0.3518562     9.842854  
1 1 1 5   61  21 o 61.831  3.5145  2096.39    234.390  2488.35    529.378  2000.81    261.410  66.002  7.5406  60.283  4.0268  5.718933       8.548450  
1 1 1 5   61  22 o 49.486  4.1208  1354.96    218.859  1481.90    498.468  1324.64    243.594  49.641  9.6184  48.779  4.6677  0.8616028      10.69118  
1 1 1 5   61  23 o 48.646  4.5338  1318.43    236.125  803.254    499.658  1466.56    267.931  35.998  11.417  51.214  4.8896  -15.21599      12.41961  
1 1 1 5   61  24 o 83.482  3.3999  3828.03    307.422  3336.05    633.505  3979.58    351.595  75.340  7.8801  84.962  3.8208  -9.621956      8.757484  
1 1 1 5   61  25 o 45.241  2.3625  1121.77    115.363  1191.16    491.645  1117.73    118.677  42.245  10.726  45.142  2.4362  -2.897240      10.99884  
1 1 1 5   61  26 o 27.878  1.7578  425.279    52.805   0.0000     0.0000   425.279    52.805   ?       ?       27.878  1.7578  0.000000       1.757843  
1 1 1 5   61  27 o 27.208  9.2973  487.426    329.161  0.0000     0.0000   487.426    329.161  ?       ?       27.208  9.2973  0.000000       9.297349  
1 1 1 5   61  28 o 24.986  8.7279  407.876    290.738  0.0000     0.0000   407.876    290.738  ?       ?       24.986  8.7279  0.000000       8.727921  
1 1 1 5   61  29 o 21.487  9.1556  196.394    374.686  0.0000     0.0000   196.394    374.686  ?       ?       21.487  9.1556  0.000000       9.155621  
1 1 1 5   62  0  o 291.138 5.1860  45995.55   1635.30  45654.80   2313.55  46335.78   2311.78  289.759 7.3717  291.922 7.3116  -2.162628      10.38276  
1 1 1 5   62  1  o 282.723 5.0400  43370.98   1543.35  43272.61   2183.10  43469.27   2182.15  282.128 7.1443  282.771 7.1249  -0.6433105     10.08984  
1 1 1 5   62  2  o 170.077 3.4820  15679.78   641.422  15901.21   907.198  15458.43   907.017  171.196 4.8926  168.791 4.9613  2.404709       6.967930  
1 1 1 5   62  3  o 71.624  2.8521  2779.98    221.260  2956.68    317.827  2613.80    308.214  73.735  3.9946  69.304  4.1247  4.431061       5.741906  
1 1 1 5   62  4  o 208.040 4.0350  23469.54   909.211  22708.88   1287.18  24226.99   1284.46  204.496 5.8114  211.240 5.6140  -6.744064      8.080225  
1 1 1 5   62  5  o 80.448  2.7699  3507.14    241.350  3616.01    344.706  3402.44    338.033  81.662  3.8973  79.212  3.9400  2.449455       5.541881  
1 1 1 5   62  6  o 28.388  4.5445  448.147    135.014  192.851    190.893  703.693    190.986  20.110  7.0695  35.648  5.0911  -15.53825      8.711894  
1 1 1 5   62  7  o 235.998 4.3832  30218.35   1120.38  29953.34   1585.55  30482.64   1583.38  234.735 6.2363  236.809 6.1733  -2.073898      8.775040  
1 1 1 5   62  8  o 272.950 5.1989  40462.67   1536.95  41175.48   2031.56  39508.66   2350.27  275.059 6.8192  269.171 8.0616  5.888458       10.55889  
1 1 1 5   62  9  o 139.939 3.1743  10617.90   481.128  11094.62   694.196  10177.24   667.428  142.960 4.4833  136.921 4.5005  6.039246       6.352545  
1 1 1 5   62  10 o 134.490 3.1386  9808.64    457.184  10083.12   655.066  9547.98    638.370  136.267 4.4384  132.601 4.4448  3.665833       6.281365  
1 1 1 5   62  11 o 84.378  4.1433  3866.39    378.657  3769.45    548.784  3954.49    523.140  82.951  6.1520  85.039  5.7129  -2.087738      8.395499  
1 1 1 5   62  12 o 39.758  5.0734  874.017    213.492  1039.45    283.547  657.469    324.407  43.214  6.2386  33.960  8.7615  9.254417       10.75570  
1 1 1 5   62  13 o 91.302  2.8217  4522.66    279.040  5024.10    578.756  4370.80    318.504  95.812  5.6015  89.727  3.2773  6.084740       6.489801  
1 1 1 5   62  14 o 130.939 3.1779  9311.02    450.697  8302.84    891.722  9656.92    522.322  122.874 6.7259  133.294 3.6179  -10.42026      7.637219  
1 1 1 5   62  15 o 104.304 2.9377  5908.32    331.880  5950.01    715.466  5896.89    374.622  103.941 6.3861  104.163 3.3206  -0.2211838     7.197834  
1 1 1 5   62  16 o 157.795 3.9166  13561.81   669.386  13686.50   1177.19  13502.23   813.750  157.574 6.8975  157.228 4.7785  0.3460388      8.391024  
1 1 1 5   62  17 o 140.694 3.3297  10771.11   507.408  10347.11   1016.66  10911.76   585.550  136.672 6.8901  141.503 3.8206  -4.831039      7.878464  
1 1 1 5   62  18 o 137.908 3.2674  10355.10   488.042  9736.90    992.077  10552.47   560.563  132.317 6.9467  139.106 3.7206  -6.788544      7.880330  
1 1 1 5   62  19 o 151.200 3.3244  12459.17   544.428  13520.37   1120.85  12131.48   622.837  156.050 6.6315  149.036 3.8585  7.014526       7.672320  
1 1 1 5   62  20 o 60.852  2.3075  2012.52    152.083  1763.55    520.920  2035.72    159.011  54.960  9.0672  61.193  2.3991  -6.232616      9.379200  
1 1 1 5   62  21 o 40.885  2.0245  908.158    89.650   589.786    474.839  919.927    91.292   32.304  11.161  41.147  2.0484  -8.842846      11.34781  
1 1 1 5   62  22 o 35.737  1.4991  693.060    58.025   1073.76    460.487  686.917    58.491   41.789  10.251  35.577  1.5179  6.212143       10.36305  
1 1 1 5   62  23 o 24.840  2.4085  339.283    63.986   636.106    463.704  333.521    64.604   32.613  11.036  24.619  2.4555  7.993429       11.30550  
1 1 1 5   62  24 o 38.253  1.8930  796.199    78.430   101.931    476.372  815.543    79.515   23.925  10.262  38.714  1.8963  -14.78966      10.43579  
1 1 1 5   62  25 o 13.783  6.2814  -100.7215  207.028  298.058    441.974  -212.8140  234.325  25.370  10.299  13.374  6.2931  11.99668       12.06917  
1 1 1 5   62  26 o 37.851  7.9375  904.047    315.018  0.0000     0.0000   904.047    315.018  ?       ?       37.851  7.9375  0.000000       7.937523  
1 1 1 5   62  27 o 19.895  8.0367  170.453    267.730  0.0000     0.0000   170.453    267.730  ?       ?       19.895  8.0367  0.000000       8.036681  
1 1 1 5   62  28 o 21.496  8.7567  226.251    320.924  0.0000     0.0000   226.251    320.924  ?       ?       21.496  8.7567  0.000000       8.756662  
1 1 1 5   62  29 o 29.652  10.088  655.822    387.532  0.0000     0.0000   655.822    387.532  ?       ?       29.652  10.088  0.000000       10.08829  
1 1 1 5   63  0  o 264.919 5.4921  38097.25   1575.88  38840.84   2736.28  37728.21   1927.67  266.871 9.4665  263.473 6.7550  3.398102       11.62945  
1 1 1 5   63  1  o 133.308 3.0876  9631.24    445.807  9229.63    629.512  10035.28   631.424  130.446 4.4556  136.028 4.2857  -5.582199      6.182168  
1 1 1 5   63  2  o 154.903 3.4311  13006.81   575.660  12566.29   844.453  13389.24   786.811  152.169 5.1236  157.104 4.6240  -4.934296      6.901637  
1 1 1 5   63  3  o 190.703 3.7503  19717.71   774.640  19916.10   1097.67  19520.86   1093.36  191.551 5.2907  189.638 5.3231  1.912888       7.505168  
1 1 1 5   63  4  o 253.408 4.6058  34838.98   1264.15  35656.91   1789.59  34024.36   1785.97  256.143 6.4506  250.191 6.5907  5.951874       9.222152  
1 1 1 5   63  5  o 124.146 2.9945  8353.35    402.651  8224.65    568.318  8483.06    570.557  123.135 4.2613  125.057 4.2123  -1.921753      5.991853  
1 1 1 5   63  6  o 21.077  5.5549  249.990    128.599  267.588    182.370  232.585    181.367  22.228  6.8751  21.101  6.8955  1.126692       9.737291  
1 1 1 5   63  7  o 118.527 2.9356  7614.94    376.859  7830.14    535.005  7403.00    530.935  120.138 4.1116  116.811 4.1965  3.327065       5.875001  
1 1 1 5   63  8  o 121.873 3.0195  8052.17    398.573  8346.34    575.361  7780.76    552.658  124.013 4.2836  119.739 4.2614  4.274124       6.042221  
1 1 1 5   63  9  o 215.895 4.0968  25297.66   957.975  25692.11   1360.41  24909.68   1349.22  217.335 5.7792  213.993 5.8212  3.341782       8.202806  
1 1 1 5   63  10 o 185.909 4.2778  18769.36   861.377  19447.33   1503.35  18438.00   1051.01  188.725 7.3546  184.128 5.2700  4.596634       9.047858  
1 1 1 5   63  11 o 72.952  3.1033  2887.10    245.208  2861.74    434.630  2898.94    296.986  72.278  5.5955  72.975  3.7703  -0.6966476     6.747241  
1 1 1 5   63  12 o 29.127  6.4178  481.366    197.004  157.927    263.935  888.251    296.031  21.052  8.1411  39.698  7.1479  -18.64555      10.83373  
1 1 1 5   63  13 o 16.943  1.6279  156.997    29.506   139.330    307.130  157.162    29.643   21.794  8.6748  16.951  1.6348  4.843132       8.827503  
1 1 1 5   63  14 o 59.175  2.2883  1899.32    146.663  1636.38    409.783  1937.95    157.068  54.105  7.1693  59.768  2.4263  -5.663101      7.568757  
1 1 1 5   63  15 o 100.734 3.0298  5512.82    330.566  4993.29    698.830  5662.57    375.197  95.023  6.8357  102.052 3.3944  -7.029083      7.632110  
1 1 1 5   63  16 o 164.973 3.4890  14808.98   623.429  14479.06   1264.68  14914.89   716.539  161.874 7.2133  165.439 3.9988  -3.564575      8.247574  
1 1 1 5   63  17 o 104.550 2.9810  5943.52    337.568  6360.69    715.186  5823.94    382.905  107.276 6.1814  103.427 3.4181  3.848869       7.063542  
1 1 1 5   63  18 o 100.281 3.0419  5472.23    330.391  5322.90    684.435  5517.59    377.256  97.872  6.4935  100.625 3.4615  -2.753067      7.358491  
1 1 1 5   63  19 o 66.702  3.0949  2423.36    223.590  2791.60    509.235  2335.42    248.861  70.541  6.7474  65.331  3.5300  5.210014       7.615001  
1 1 1 5   63  20 o 128.115 3.1859  8952.43    442.078  8224.24    922.053  9169.79    503.752  120.932 7.0703  129.536 3.5905  -8.604378      7.929770  
1 1 1 5   63  21 o 117.906 3.1091  7587.91    397.048  7299.25    840.875  7670.74    450.424  113.752 6.8570  118.420 3.5118  -4.667740      7.703992  
1 1 1 5   63  22 o 69.866  3.5443  2681.35    267.323  2194.91    569.049  2819.10    302.817  60.948  8.8813  71.530  3.9236  -10.58199      9.709367  
1 1 1 5   63  23 o 26.309  7.0419  409.169    204.631  870.876    461.362  296.096    228.317  37.169  10.811  23.081  7.7440  14.08843       13.29810  
1 1 1 5   63  24 o 29.396  7.3078  522.524    231.672  537.172    472.282  517.883    265.855  30.107  11.051  29.073  8.1270  1.034180       13.71742  
1 1 1 5   63  25 o 45.070  5.2028  1170.63    249.312  924.329    503.975  1250.44    286.873  36.193  11.464  46.240  5.8595  -10.04641      12.87507  
1 1 1 5   63  26 o 21.520  8.7420  198.418    318.727  0.0000     0.0000   198.418    318.727  ?       ?       21.520  8.7420  0.000000       8.742006  
1 1 1 5   63  27 f 62.436  5.5250  2288.08    369.773  0.0000     0.0000   2288.08    369.773  ?       ?       62.436  5.5250  0.000000       5.525036  
1 1 1 5   63  28 o 40.673  9.1027  1137.56    390.998  0.0000     0.0000   1137.56    390.998  ?       ?       40.673  9.1027  0.000000       9.102715  
1 1 1 5   63  29 o 27.515  9.6170  543.395    353.014  0.0000     0.0000   543.395    353.014  ?       ?       27.515  9.6170  0.000000       9.617005  
1 1 1 5   64  0  o 102.403 3.3215  5684.06    368.394  5806.61    647.642  5625.44    447.918  103.242 5.8154  101.851 4.0604  1.390991       7.092654  
1 1 1 5   64  1  o 287.462 5.8338  44877.33   1816.36  48437.38   3152.45  43108.14   2222.33  297.890 9.7706  281.517 7.2884  16.37347       12.18959  
1 1 1 5   64  2  o 255.023 4.6440  35285.29   1282.74  34787.73   1814.33  35782.57   1813.81  252.979 6.6216  256.585 6.5267  -3.605377      9.297454  
1 1 1 5   64  3  o 111.685 2.9271  6760.18    354.080  7009.31    505.261  6519.75    496.347  113.683 4.1035  109.638 4.1798  4.044960       5.857403  
1 1 1 5   64  4  o 171.404 3.5119  15928.62   651.980  16341.50   924.519  15520.13   919.578  173.516 4.9193  169.091 5.0211  4.424805       7.029305  
1 1 1 5   64  5  o 143.772 3.2130  11205.38   500.336  11020.66   709.839  11387.77   705.347  142.507 4.5989  144.868 4.4953  -2.360748      6.430998  
1 1 1 5   64  6  o 173.066 3.5146  16241.42   658.805  16367.71   931.953  16115.27   931.428  173.627 4.9557  172.280 4.9917  1.347321       7.033902  
1 1 1 5   64  7  o 158.829 3.4988  13680.70   601.892  13349.29   892.278  13957.41   815.325  156.756 5.2554  160.338 4.6949  -3.581711      7.047066  
1 1 1 5   64  8  o 144.952 3.1995  11393.42   502.319  12038.03   719.880  10781.73   701.259  148.904 4.4636  140.909 4.5948  7.994614       6.405932  
1 1 1 5   64  9  o 133.742 3.6826  9705.74    533.448  8856.23    990.371  10052.94   633.144  127.200 7.2183  136.065 4.2962  -8.864883      8.400081  
1 1 1 5   64  10 o 144.044 4.5780  11276.39   714.229  11551.75   1020.99  11012.50   999.494  145.535 6.4772  142.095 6.4943  3.440155       9.172212  
1 1 1 5   64  11 o 46.607  2.1305  1177.42    107.547  951.850    283.281  1215.40    116.251  41.255  6.5594  47.350  2.2667  -6.095596      6.939994  
1 1 1 5   64  12 o 16.282  1.0957  144.257    19.210   -51.3419   246.679  145.450    19.269   16.576  7.2455  16.349  1.0945  0.2269535      7.327670  
1 1 1 5   64  13 o 88.910  3.0659  4292.05    295.246  4179.33    567.253  4333.93    345.773  87.207  6.0429  89.301  3.5749  -2.094070      7.021125  
1 1 1 5   64  14 o 115.318 2.9983  7222.42    374.495  7785.50    799.804  7064.29    423.827  119.010 6.2265  113.999 3.4326  5.011749       7.109937  
1 1 1 5   64  15 o 88.849  2.9784  4288.83    286.622  4006.99    619.790  4365.50    323.265  85.052  6.7845  89.603  3.3309  -4.550774      7.558065  
1 1 1 5   64  16 o 26.238  1.2771  373.072    36.294   107.080    395.155  375.335    36.448   23.332  9.6342  26.317  1.2787  -2.985828      9.718713  
1 1 1 5   64  17 o 44.429  3.9387  1085.23    187.567  1363.49    436.567  1022.24    207.716  48.668  8.5963  43.004  4.5276  5.664734       9.715747  
1 1 1 5   64  18 o 93.850  2.7150  4789.05    275.976  4781.84    640.868  4790.69    305.780  92.727  6.4205  93.824  3.0090  -1.096405      7.090665  
1 1 1 5   64  19 o 121.499 3.1267  8043.82    411.468  7613.87    848.722  8175.93    470.453  116.728 6.7417  122.384 3.5491  -5.655998      7.618881  
1 1 1 5   64  20 o 36.746  4.9976  757.563    193.743  906.738    455.020  724.529    214.122  38.682  10.563  35.732  5.7260  2.949280       12.01518  
1 1 1 5   64  21 f 29.428  6.7312  505.303    209.893  300.150    466.548  557.362    235.020  27.155  10.729  30.829  7.1733  -3.674047      12.90568  
1 1 1 5   64  22 o 17.623  7.0954  92.198     207.948  185.021    444.400  66.176     235.297  24.896  10.242  17.920  7.4198  6.976130       12.64690  
1 1 1 5   64  23 o 23.529  7.7155  314.423    226.994  325.304    459.295  310.907    261.112  26.945  10.645  23.822  8.2741  3.122850       13.48246  
1 1 1 5   64  24 o 39.838  5.5941  916.511    234.727  925.880    492.534  913.758    266.996  37.127  11.265  39.374  6.4867  -2.247112      12.99869  
1 1 1 5   64  25 o 42.581  6.0077  1068.87    269.376  0.0000     0.0000   1068.87    269.376  ?       ?       42.581  6.0077  0.000000       6.007697  
1 1 1 5   64  26 o 24.415  8.8104  359.915    298.365  0.0000     0.0000   359.915    298.365  ?       ?       24.415  8.8104  0.000000       8.810368  
1 1 1 5   64  27 o 23.040  8.7968  307.404    305.472  0.0000     0.0000   307.404    305.472  ?       ?       23.040  8.7968  0.000000       8.796811  
1 1 1 5   64  28 o 22.860  9.0801  299.736    335.848  0.0000     0.0000   299.736    335.848  ?       ?       22.860  9.0801  0.000000       9.080072  
1 1 1 5   64  29 o 23.157  9.1791  320.566    342.560  0.0000     0.0000   320.566    342.560  ?       ?       23.157  9.1791  0.000000       9.179059  
1 1 1 5   65  0  o 84.452  4.1428  3868.39    378.943  3754.09    535.763  3982.81    536.050  82.910  6.0069  85.432  5.8280  -2.521294      8.369452  
1 1 1 5   65  1  o 122.875 3.4334  8185.17    456.936  8568.46    798.741  7998.71    557.101  125.590 5.8719  121.433 4.2357  4.156799       7.240202  
1 1 1 5   65  2  o 177.317 4.1866  17054.71   804.048  16662.18   1399.19  17248.24   982.466  174.966 7.3833  178.251 5.0888  -3.285217      8.967120  
1 1 1 5   65  3  o 155.004 3.3569  13025.48   563.573  12276.21   799.710  13764.72   794.344  150.389 4.9096  159.267 4.6048  -8.878540      6.731174  
1 1 1 5   65  4  o 260.289 4.6902  36770.49   1322.25  36532.27   1871.59  37007.87   1868.29  259.156 6.6678  260.847 6.6128  -1.690887      9.390895  
1 1 1 5   65  5  o 253.002 4.6141  34742.65   1264.40  34562.61   1789.91  34921.98   1786.36  252.057 6.5564  253.372 6.5094  -1.315201      9.238931  
1 1 1 5   65  6  o 77.992  2.4938  3296.49    210.657  3335.94    275.815  3241.26    326.350  78.438  3.2465  77.197  3.9159  1.241066       5.086710  
1 1 1 5   65  7  o 335.158 5.8550  61095.58   2125.42  62171.92   3007.07  60021.07   3004.52  337.391 8.2289  331.456 8.3691  5.935577       11.73697  
1 1 1 5   65  8  o 144.443 3.7441  11321.11   585.751  10303.35   1022.96  11817.59   714.477  137.476 6.8701  147.514 4.4718  -10.03749      8.197261  
1 1 1 5   65  9  o 65.197  3.4122  2312.60    240.117  2642.70    441.124  2173.62    286.238  69.410  5.9244  63.124  4.2108  6.286430       7.268415  
1 1 1 5   65  10 o 86.457  4.0881  4060.56    382.820  4134.56    561.154  3996.14    523.576  86.884  5.9999  85.459  5.6891  1.424507       8.268263  
1 1 1 5   65  11 o 115.157 3.4267  7199.93    427.397  7490.56    530.868  6664.51    720.553  117.386 4.1754  110.333 6.0527  7.052734       7.353218  
1 1 1 5   65  12 o 106.196 2.9077  6120.56    334.448  6176.10    495.681  6074.15    453.140  106.542 4.2955  105.696 3.9582  0.8457031      5.841144  
1 1 1 5   65  13 o 170.832 4.2487  15889.19   786.138  16353.58   1285.37  15611.67   993.650  172.567 6.8770  169.049 5.4269  3.517426       8.760386  
1 1 1 5   65  14 o 81.361  2.9281  3595.30    258.030  3207.27    586.063  3688.60    287.383  75.967  7.2091  82.385  3.2207  -6.418175      7.895844  
1 1 1 5   65  15 o 65.078  3.2224  2302.59    227.134  2243.22    507.344  2317.47    254.012  63.260  7.5541  65.156  3.6135  -1.896790      8.373894  
1 1 1 5   65  16 o 56.846  2.2587  1753.94    139.072  2175.30    469.734  1713.46    145.599  62.322  7.0848  56.179  2.3928  6.143074       7.477997  
1 1 1 5   65  17 o 55.902  3.4197  1708.53    206.057  1346.62    471.290  1794.06    229.117  48.081  9.3868  57.242  3.7156  -9.161171      10.09543  
1 1 1 5   65  18 o 46.085  3.8059  1167.29    188.272  841.360    450.772  1236.16    207.210  37.657  10.602  47.384  4.0772  -9.727043      11.35915  
1 1 1 5   65  19 o 15.352  2.5271  131.515    40.557   512.650    404.651  127.648    40.763   30.425  10.309  15.110  2.5835  15.31517       10.62772  
1 1 1 5   65  20 o 135.293 3.2257  9991.70    472.683  9992.32    962.303  9991.50    542.661  133.590 6.6507  135.120 3.7080  -1.529816      7.614535  
1 1 1 5   65  21 o 103.008 3.2557  5800.34    363.228  5035.50    751.067  6033.83    414.985  93.891  7.4467  104.935 3.6513  -11.04409      8.293692  
1 1 1 5   65  22 o 27.517  7.2026  446.989    217.168  867.337    464.534  329.427    245.667  37.294  10.848  24.246  8.0302  13.04764       13.49681  
1 1 1 5   65  23 o 43.064  5.1493  1051.11    235.417  1022.25    496.357  1059.48    267.407  39.721  11.105  42.947  5.9050  -3.225597      12.57735  
1 1 1 5   65  24 o 38.026  5.5705  839.061    222.622  709.220    491.134  872.638    249.754  32.719  11.349  38.501  6.1997  -5.782257      12.93163  
1 1 1 5   65  25 o 50.908  2.3001  1418.64    126.822  0.0000     0.0000   1418.64    126.822  ?       ?       50.908  2.3001  0.000000       2.300060  
1 1 1 5   65  26 o 20.875  8.1436  215.965    265.893  0.0000     0.0000   215.965    265.893  ?       ?       20.875  8.1436  0.000000       8.143631  
1 1 1 5   65  27 o 32.786  8.7986  728.078    318.962  0.0000     0.0000   728.078    318.962  ?       ?       32.786  8.7986  0.000000       8.798637  
1 1 1 5   65  28 o 19.423  8.3230  114.071    312.791  0.0000     0.0000   114.071    312.791  ?       ?       19.423  8.3230  0.000000       8.322992  
1 1 1 5   66  0  o 291.445 6.0114  46158.93   1897.60  46162.38   2323.67  46152.04   3287.93  291.204 7.3673  290.411 10.453  0.7927551      12.78830  
1 1 1 5   66  1  o 239.794 6.2852  31259.23   1632.42  31436.11   2309.54  31082.66   2307.63  240.015 8.8842  238.653 8.9275  1.361969       12.59476  
1 1 1 5   66  2  o 286.568 5.8258  44622.88   1808.24  46815.75   3138.19  43532.96   2212.45  292.598 9.9023  282.792 7.2233  9.806305       12.25694  
1 1 1 5   66  3  o 238.664 5.0637  30928.52   1308.96  32058.07   2275.35  30369.79   1600.28  242.367 8.6677  236.335 6.2517  6.031998       10.68705  
1 1 1 5   66  4  o 126.722 3.0187  8705.12    414.325  8927.39    589.719  8488.44    582.242  128.268 4.2448  125.072 4.2981  3.196236       6.040841  
1 1 1 5   66  5  o 106.400 2.8638  6136.72    330.033  6401.27    468.251  5875.56    465.239  108.621 3.9801  104.058 4.1279  4.563057       5.734178  
1 1 1 5   66  6  o 214.175 4.0351  24892.50   936.040  25672.79   1325.98  24117.41   1321.56  217.295 5.6340  210.585 5.7941  6.709381       8.081686  
1 1 1 5   66  7  o 159.445 3.8623  13796.43   667.010  14685.66   1160.93  13358.25   814.946  164.187 6.5283  156.805 4.7984  7.382889       8.102051  
1 1 1 5   66  8  o 54.365  3.5875  1610.77    210.052  1404.08    381.912  1700.41    251.509  50.210  7.2313  55.801  4.1920  -5.591553      8.358547  
1 1 1 5   66  9  o 139.218 4.5027  10534.33   678.956  10291.33   965.257  10772.30   955.200  137.336 6.4892  140.543 6.2750  -3.206696      9.026906  
1 1 1 5   66  10 o 96.492  3.4146  5054.32    356.858  5219.74    449.616  4772.71    586.633  97.995  4.2361  93.374  5.8297  4.621353       7.206275  
1 1 1 5   66  11 o 98.122  2.7775  5223.63    295.186  5320.31    445.293  5147.84    394.261  98.913  4.1565  97.334  3.7398  1.578186       5.591264  
1 1 1 5   66  12 o 37.327  1.2789  754.908    51.706   446.392    251.204  768.557    52.837   28.084  7.9173  37.663  1.2952  -9.578829      8.022534  
1 1 1 5   66  13 o 120.932 3.5670  7951.89    467.212  8268.57    848.149  7813.93    559.806  122.609 6.4090  119.767 4.3155  2.841820       7.726490  
1 1 1 5   66  14 o 143.544 3.2583  11200.77   506.574  11427.81   1043.56  11130.78   579.421  144.124 6.6852  143.010 3.7408  1.114929       7.660580  
1 1 1 5   66  15 o 55.657  3.4870  1692.29    209.141  1505.56    475.543  1737.07    232.871  51.249  8.8895  56.340  3.8391  -5.091450      9.683022  
1 1 1 5   66  16 o 47.773  3.8461  1252.35    197.325  1065.46    447.356  1297.49    219.870  42.599  9.8865  48.568  4.2217  -5.968811      10.75012  
1 1 1 5   66  17 f 49.870  3.6546  1363.33    196.029  1681.04    455.087  1290.95    217.213  54.305  7.9747  48.429  4.1821  5.876507       9.004798  
1 1 1 5   66  18 o 80.871  3.0706  3561.83    268.959  3953.25    579.333  3454.29    303.668  84.185  6.4016  79.570  3.5236  4.615120       7.307276  
1 1 1 5   66  19 f 72.877  3.1455  2896.11    248.284  1977.97    546.126  3135.32    278.757  58.272  8.9381  75.784  3.3961  -17.51146      9.561568  
1 1 1 5   66  20 o 16.787  2.1363  155.620    37.963   291.800    406.795  154.424    38.129   26.095  10.103  16.718  2.1559  9.376598       10.33011  
1 1 1 5   66  21 o 65.039  2.3445  2302.25    165.152  1720.68    522.141  2366.90    174.090  53.688  9.3171  65.932  2.4378  -12.24416      9.630751  
1 1 1 5   66  22 o 31.333  2.6386  539.363    88.715   528.891    485.613  539.725    90.233   30.765  11.219  31.336  2.6845  -0.5711689     11.53546  
1 1 1 5   66  23 o 55.029  2.8978  1663.55    172.109  1861.68    547.129  1641.79    181.313  54.714  9.5818  54.617  3.0775  0.9614563E-01  10.06388  
1 1 1 5   66  24 o 70.073  2.8599  2699.38    217.053  2433.90    592.107  2740.59    233.293  62.123  9.0670  70.532  3.0538  -8.408222      9.567430  
1 1 1 5   66  25 o 40.939  6.8540  1014.95    293.170  0.0000     0.0000   1014.95    293.170  ?       ?       40.939  6.8540  0.000000       6.854041  
1 1 1 5   66  26 o 41.783  6.8844  1070.23    300.703  0.0000     0.0000   1070.23    300.703  ?       ?       41.783  6.8844  0.000000       6.884420  
1 1 1 5   66  27 f 18.548  7.8387  102.472    270.866  0.0000     0.0000   102.472    270.866  ?       ?       18.548  7.8387  0.000000       7.838723  
1 1 1 5   66  28 o 22.039  9.3353  211.878    385.574  0.0000     0.0000   211.878    385.574  ?       ?       22.039  9.3353  0.000000       9.335284  
1 1 1 5   67  0  o 67.481  3.3048  2468.86    241.541  2198.07    288.961  3096.85    440.054  63.510  4.2249  75.311  5.4313  -11.80050      6.881025  
1 1 1 5   67  1  o 203.373 4.5204  22447.45   995.721  21740.91   1214.95  23892.87   1737.74  200.031 5.6078  209.395 7.6621  -9.364914      9.495008  
1 1 1 5   67  2  o 78.505  4.1293  3353.04    349.875  3318.18    493.607  3388.24    495.999  77.909  5.8931  78.736  5.8581  -0.8269882     8.309401  
1 1 1 5   67  3  o 106.491 4.1814  6153.58    482.286  5797.32    686.100  6501.56    678.083  103.060 6.1749  109.215 5.7526  -6.154617      8.439336  
1 1 1 5   67  4  o 130.898 3.5758  9293.28    506.955  9454.65    890.878  9216.00    616.507  131.824 6.2396  130.303 4.3683  1.520126       7.616719  
1 1 1 5   67  5  o 368.754 7.3336  74147.10   2929.04  76296.56   5080.21  73076.78   3584.88  371.573 12.623  365.426 9.0574  6.147400       15.53642  
1 1 1 5   67  6  o 209.469 4.6536  23834.13   1055.79  22472.45   1835.91  24506.98   1290.54  202.715 8.3617  212.259 5.6135  -9.544647      10.07125  
1 1 1 5   67  7  o 236.245 5.1108  30348.43   1307.75  27876.37   2272.28  31572.78   1599.14  225.360 9.3093  240.749 6.1327  -15.38870      11.14776  
1 1 1 5   67  8  o 32.037  6.2552  578.663    209.262  332.548    308.960  787.265    284.440  25.930  9.0007  37.325  7.2974  -11.39565      11.58722  
1 1 1 5   67  9  o 65.694  4.1701  2354.55    295.182  2158.29    427.103  2534.03    408.424  62.560  6.3931  67.968  5.5978  -5.408520      8.497469  
1 1 1 5   67  10 o 93.892  3.1868  4785.22    324.084  4798.68    431.059  4767.73    491.518  93.941  4.2366  93.451  4.8730  0.4899750      6.457118  
1 1 1 5   67  11 f 20.843  1.3870  236.419    31.132   624.758    245.841  230.090    31.384   33.135  7.0658  20.558  1.4181  12.57676       7.206731  
1 1 1 5   67  12 o 61.596  2.4131  2058.25    160.990  1884.56    329.008  2112.93    184.599  58.522  5.2463  62.394  2.7316  -3.871120      5.914802  
1 1 1 5   67  13 o 139.359 3.6912  10565.57   557.142  11969.01   999.886  9933.62    670.952  147.698 6.2504  134.959 4.5901  12.73944       7.754739  
1 1 1 5   67  14 o 104.505 2.9572  5933.78    334.730  6222.55    718.793  5853.81    378.247  106.238 6.2746  103.749 3.3661  2.488823       7.120459  
1 1 1 5   67  15 o 19.952  6.5167  211.913    161.994  -531.3275  398.132  359.374    177.337  16.443  7.8697  25.070  6.4828  -8.627008      10.19600  
1 1 1 5   67  16 o 75.323  3.0941  3086.70    252.425  3059.98    554.391  3093.69    283.519  73.992  7.0009  75.363  3.4734  -1.370567      7.815167  
1 1 1 5   67  17 o 80.485  2.6123  3521.06    227.721  2925.22    576.586  3631.18    247.872  72.050  7.4984  81.711  2.8008  -9.660614      8.004377  
1 1 1 5   67  18 o 34.983  4.7948  684.285    176.898  599.445    424.403  702.124    194.610  32.406  10.546  35.339  5.2434  -2.933578      11.77767  
1 1 1 5   67  19 o 19.059  6.7320  180.356    173.284  -80.4780   400.588  240.399    192.196  20.630  9.1173  21.213  7.1051  -0.5826702     11.55886  
1 1 1 5   67  20 o 105.860 3.2226  6121.72    369.498  5281.13    737.799  6403.13    426.891  96.498  7.1092  108.136 3.6448  -11.63799      7.989078  
1 1 1 5   67  21 o 39.131  2.1039  835.028    88.842   1404.88    444.167  811.279    90.674   48.627  8.7552  38.559  2.1801  10.06879       9.022567  
1 1 1 5   67  22 o 59.218  2.5779  1913.47    165.342  1797.25    545.779  1925.21    173.495  54.224  9.6465  59.378  2.6977  -5.153439      10.01657  
1 1 1 5   67  23 o 94.920  3.4381  4966.86    353.469  4411.56    711.520  5148.80    407.281  86.206  7.7015  96.399  3.9008  -10.19270      8.633005  
1 1 1 5   67  24 o 20.604  7.7643  214.762    236.026  0.0000     0.0000   214.762    236.026  ?       ?       20.604  7.7643  0.000000       7.764313  
1 1 1 5   67  25 o 38.134  7.4126  900.870    295.133  0.0000     0.0000   900.870    295.133  ?       ?       38.134  7.4126  0.000000       7.412556  
1 1 1 5   67  26 o 42.142  6.8849  1092.33    303.400  0.0000     0.0000   1092.33    303.400  ?       ?       42.142  6.8849  0.000000       6.884908  
1 1 1 5   67  27 f 18.508  7.8427  100.162    272.291  0.0000     0.0000   100.162    272.291  ?       ?       18.508  7.8427  0.000000       7.842657  
1 1 1 5   67  28 o 26.142  9.5789  467.064    354.634  0.0000     0.0000   467.064    354.634  ?       ?       26.142  9.5789  0.000000       9.578904  
1 1 1 5   68  0  f 136.474 3.1446  10098.03   464.825  10102.15   656.645  10093.88   658.081  136.424 4.4439  136.368 4.4555  0.5668640E-01  6.292863  
1 1 1 5   68  1  o 79.663  3.2933  3441.19    284.158  3498.78    344.859  3319.41    501.501  80.304  3.9649  77.900  5.9897  2.404312       7.183094  
1 1 1 5   68  2  o 49.266  3.8005  1324.52    201.228  1357.18    242.472  1252.28    360.683  49.793  4.5461  47.402  7.2561  2.391045       8.562581  
1 1 1 5   68  3  o 44.347  5.2064  1083.20    245.318  1224.12    354.052  953.063    340.225  46.858  7.2070  41.108  7.9288  5.750530       10.71476  
1 1 1 5   68  4  o 220.973 5.9388  26567.47   1421.37  25646.37   2013.28  27482.81   2006.98  216.560 8.5833  224.259 8.2627  -7.699142      11.91409  
1 1 1 5   68  5  o 77.278  4.1333  3251.18    344.703  3368.88    496.522  3141.69    478.921  78.459  5.8857  75.753  5.8832  2.706490       8.321898  
1 1 1 5   68  6  o 155.102 4.7093  13073.43   791.121  14002.35   1125.47  12166.18   1112.27  160.269 6.4836  149.331 6.8769  10.93866       9.451379  
1 1 1 5   68  7  o 98.698  4.0661  5290.55    434.664  5425.21    624.001  5163.63    605.818  99.632  5.8077  97.197  5.7807  2.435509       8.194263  
1 1 1 5   68  8  o 85.157  4.0251  3939.51    371.251  3717.23    533.757  4147.83    516.714  82.345  6.0265  87.091  5.5061  -4.745674      8.163075  
1 1 1 5   68  9  o 68.565  3.4870  2559.31    258.105  2530.64    328.009  2605.92    418.255  68.064  4.4743  68.900  5.6546  -0.8353729     7.210660  
1 1 1 5   68  10 o 58.336  2.3599  1845.53    149.107  1528.43    312.477  1939.02    169.669  52.635  5.5656  59.786  2.6202  -7.150642      6.151505  
1 1 1 5   68  11 o 99.575  2.7943  5381.49    301.368  5862.60    461.666  5024.25    397.823  103.798 4.1065  96.121  3.8212  7.677032       5.609344  
1 1 1 5   68  12 o 177.153 3.8311  17075.01   735.085  16876.04   998.095  17310.85   1086.68  175.762 5.2430  177.891 5.6400  -2.128708      7.700533  
1 1 1 5   68  13 o 69.877  3.7996  2665.44    286.493  2604.43    533.376  2690.18    339.648  68.341  7.3197  70.091  4.4977  -1.750000      8.591100  
1 1 1 5   68  14 o 97.792  2.9781  5197.19    315.437  5238.17    678.477  5185.89    356.284  97.341  6.4722  97.638  3.3691  -0.2970581     7.296581  
1 1 1 5   68  15 o 118.516 3.0511  7638.79    391.654  8166.55    826.632  7486.02    444.740  121.555 6.3003  117.246 3.5022  4.308777       7.208258  
1 1 1 5   68  16 o 57.705  3.3746  1819.76    209.996  1735.21    481.198  1839.65    233.393  55.102  8.3221  57.962  3.7376  -2.860260      9.122913  
1 1 1 5   68  17 o 96.702  2.8387  5087.71    297.317  4318.40    672.960  5274.30    331.416  87.752  7.1424  98.414  3.1092  -10.66132      7.789807  
1 1 1 5   68  18 o 100.351 3.0569  5487.50    332.254  5530.05    699.369  5475.10    377.586  99.455  6.5287  100.146 3.4811  -0.6904678     7.398786  
1 1 1 5   68  19 o 81.680  3.2225  3641.36    285.082  3165.54    591.695  3785.21    325.334  74.596  7.4220  83.195  3.6105  -8.598999      8.253544  
1 1 1 5   68  20 o 113.846 3.2527  7083.15    401.076  6066.07    800.316  7424.25    463.478  103.334 7.1956  116.409 3.6760  -13.07486      8.080151  
1 1 1 5   68  21 o 74.270  3.4269  3021.89    275.665  2680.05    559.114  3131.67    316.854  68.012  7.7272  75.386  3.8939  -7.373627      8.652882  
1 1 1 5   68  22 o 111.395 3.2776  6809.45    395.447  6450.10    803.625  6924.26    454.250  105.727 7.0583  112.107 3.7410  -6.380043      7.988446  
1 1 1 5   68  23 o 23.502  7.6738  325.562    224.635  61.057     476.906  400.979    254.654  23.034  10.071  25.717  8.1497  -2.682907      12.95552  
1 1 1 5   68  24 f 43.830  5.9551  1127.65    275.384  0.0000     0.0000   1127.65    275.384  ?       ?       43.830  5.9551  0.000000       5.955077  
1 1 1 5   68  25 o 24.139  9.2413  326.801    337.694  0.0000     0.0000   326.801    337.694  ?       ?       24.139  9.2413  0.000000       9.241324  
1 1 1 5   68  26 o 56.422  5.9759  1895.03    359.634  0.0000     0.0000   1895.03    359.634  ?       ?       56.422  5.9759  0.000000       5.975929  
1 1 1 5   68  27 o 28.976  9.1214  582.591    319.430  0.0000     0.0000   582.591    319.430  ?       ?       28.976  9.1214  0.000000       9.121433  
1 1 1 5   69  0  o 61.389  2.9740  2043.18    197.741  2006.98    281.473  2078.45    277.859  60.652  4.3128  61.741  4.1797  -1.089020      6.005819  
1 1 1 5   69  1  o 75.739  2.8092  3109.73    230.446  2945.55    324.539  3276.69    327.277  73.557  4.0897  77.611  3.9058  -4.053688      5.655192  
1 1 1 5   69  2  o 98.219  3.2780  5231.82    348.714  4929.93    423.229  5870.01    615.360  95.304  4.1001  103.758 5.4953  -8.454025      6.856279  
1 1 1 5   69  3  o 132.611 3.6083  9540.99    518.268  9387.79    634.756  9847.35    897.640  131.479 4.4574  134.488 6.1624  -3.009232      7.605463  
1 1 1 5   69  4  o 206.037 5.6568  23099.48   1262.37  22238.62   1788.78  23953.60   1781.75  201.636 8.1907  209.349 7.8579  -7.713135      11.35048  
1 1 1 5   69  5  o 187.742 5.3292  19175.16   1083.66  17758.68   1536.30  20577.78   1528.77  180.193 7.8717  194.109 7.2715  -13.91592      10.71630  
1 1 1 5   69  6  o 122.601 4.3423  8166.75    576.609  7925.40    835.609  8386.14    796.681  120.374 6.4325  124.062 5.9289  -3.688484      8.748058  
1 1 1 5   69  7  o 101.502 3.3090  5591.10    363.778  5723.53    447.715  5333.81    624.046  102.645 4.0271  98.748  5.8610  3.897446       7.111154  
1 1 1 5   69  8  o 108.411 3.3741  6380.47    396.189  6675.42    489.760  5821.99    673.925  110.826 4.0801  103.104 6.0615  7.722366       7.306783  
1 1 1 5   69  9  o 136.996 3.1543  10188.24   468.034  10241.28   668.010  10137.10   655.956  137.183 4.4959  136.492 4.4371  0.6909332      6.316670  
1 1 1 5   69  10 o 52.876  3.1462  1523.51    179.366  1876.41    281.147  1281.29    232.927  58.536  4.4682  48.301  4.5043  10.23493       6.344573  
1 1 1 5   69  11 o 70.988  2.9845  2736.40    229.471  2635.46    341.176  2819.78    310.088  69.394  4.5647  71.875  3.9991  -2.480560      6.068742  
1 1 1 5   69  12 o 73.460  2.6391  2929.23    209.975  2664.44    380.548  3045.13    251.770  69.662  5.0786  74.865  3.1049  -5.203835      5.952580  
1 1 1 5   69  13 o 42.169  4.4517  980.621    200.247  973.961    309.535  985.414    262.600  41.459  7.1516  41.984  5.9408  -0.5249443     9.297228  
1 1 1 5   69  14 o 71.377  3.0840  2770.13    238.421  3089.33    541.148  2693.24    265.587  74.519  6.7788  70.340  3.4860  4.178535       7.622669  
1 1 1 5   69  15 o 57.872  2.3727  1818.55    148.724  2049.63    489.631  1795.06    156.100  60.247  7.6781  57.488  2.5070  2.758484       8.076987  
1 1 1 5   69  16 o 65.289  3.3097  2327.63    233.283  2217.06    514.497  2356.24    261.734  62.570  7.7583  65.624  3.6975  -3.054054      8.594332  
1 1 1 5   69  17 o 86.337  3.0715  4059.81    287.217  2889.78    617.851  4382.35    324.399  71.220  8.1567  89.654  3.3407  -18.43375      8.814276  
1 1 1 5   69  18 o 17.849  6.6291  140.450    170.837  -205.5549  402.904  216.292    188.633  19.316  8.7873  20.452  7.0366  -1.135832      11.25748  
1 1 1 5   69  19 o 115.147 3.1342  7236.48    390.880  6502.01    802.723  7464.76    447.521  107.335 6.9420  116.825 3.5368  -9.490189      7.791056  
1 1 1 5   69  20 o 112.263 3.1648  6885.35    384.814  5401.52    785.411  7354.06    441.427  97.233  7.5162  115.902 3.5164  -18.66917      8.298113  
1 1 1 5   69  21 f 62.463  3.6295  2149.24    244.490  2009.38    512.279  2190.49    278.221  58.349  8.3435  62.914  4.1054  -4.565144      9.298836  
1 1 1 5   69  22 o 23.403  7.1337  321.691    197.199  -427.3215  428.592  522.839    222.105  17.528  8.3257  29.538  7.0417  -12.01090      10.90428  
1 1 1 5   69  23 o 32.075  6.7061  619.957    225.473  631.628    472.286  616.512    256.604  31.178  11.103  31.593  7.5931  -0.4146824     13.45109  
1 1 1 5   69  24 o 21.209  8.5553  187.260    302.946  0.0000     0.0000   187.260    302.946  ?       ?       21.209  8.5553  0.000000       8.555324  
1 1 1 5   69  25 o 44.091  7.5250  1208.24    346.463  0.0000     0.0000   1208.24    346.463  ?       ?       44.091  7.5250  0.000000       7.525003  
1 1 1 5   69  26 o 21.745  8.6437  240.951    304.551  0.0000     0.0000   240.951    304.551  ?       ?       21.745  8.6437  0.000000       8.643672  
1 1 1 5   69  27 o 23.900  9.0786  352.013    324.315  0.0000     0.0000   352.013    324.315  ?       ?       23.900  9.0786  0.000000       9.078572  
1 1 1 5   70  0  o 60.229  3.8349  1976.60    248.867  1551.46    353.857  2392.71    350.075  53.008  6.2858  66.174  4.9195  -13.16554      7.982051  
1 1 1 5   70  1  o 23.312  5.1503  307.034    126.576  271.653    192.244  334.111    168.174  22.466  7.0769  24.320  6.3250  -1.853378      9.491442  
1 1 1 5   70  2  o 104.390 2.8923  5908.88    327.015  5910.63    466.736  5907.20    458.316  104.337 4.1301  104.312 4.0566  0.2552795E-01  5.789121  
1 1 1 5   70  3  f 158.834 3.4839  13688.43   599.349  13832.06   882.788  13565.61   816.322  159.490 5.1104  157.988 4.7705  1.502060       6.990997  
1 1 1 5   70  4  o 193.145 4.3740  20266.96   915.033  20528.69   1121.24  19745.05   1583.31  194.240 5.3296  190.013 7.6933  4.226746       9.359005  
1 1 1 5   70  5  o 134.107 3.7031  9763.20    537.876  9629.53    664.972  10016.17   914.775  133.096 4.6128  135.533 6.2316  -2.436172      7.753135  
1 1 1 5   70  6  o 100.948 3.3160  5530.39    362.566  5344.97    445.209  5895.51    624.743  99.182  4.1444  103.879 5.5730  -4.697113      6.945129  
1 1 1 5   70  7  o 100.610 3.3424  5494.89    364.225  5363.71    449.724  5744.94    620.923  99.335  4.1800  102.501 5.6143  -3.165878      6.999452  
1 1 1 5   70  8  f 18.595  5.3950  192.270    115.027  87.419     206.848  239.210    138.401  17.801  7.1084  20.681  5.8930  -2.879740      9.233494  
1 1 1 5   70  9  o 77.602  2.5585  3266.91    215.047  3283.69    283.821  3244.28    329.511  77.752  3.3703  77.140  3.9572  0.6116943      5.197882  
1 1 1 5   70  10 o 25.258  5.4531  361.740    144.814  565.050    232.580  233.017    185.064  31.474  7.0031  21.087  6.9690  10.38799       9.879819  
1 1 1 5   70  11 o 151.679 3.3460  12504.12   549.686  12424.62   787.678  12579.59   767.464  150.904 4.8192  151.878 4.6654  -0.9736176     6.707543  
1 1 1 5   70  12 o 165.878 3.7101  14973.13   666.565  14851.13   917.302  15109.63   970.256  164.837 5.1379  166.188 5.3903  -1.351471      7.446749  
1 1 1 5   70  13 o 104.558 3.0752  5942.54    348.260  5754.43    508.742  6108.44    477.746  102.658 4.5755  105.842 4.1674  -3.184586      6.188879  
1 1 1 5   70  14 o 80.872  3.0304  3556.42    265.437  2878.12    593.661  3725.90    296.752  71.553  7.7859  82.744  3.3112  -11.19098      8.460732  
1 1 1 5   70  15 o 78.256  2.6199  3327.65    222.057  3589.00    570.902  3281.06    241.038  80.290  6.6241  77.680  2.8649  2.609451       7.217060  
1 1 1 5   70  16 o 49.774  3.6918  1359.14    197.606  1417.77    467.559  1346.39    218.036  49.358  9.0805  49.463  4.1070  -0.1050186     9.966115  
1 1 1 5   70  17 o 49.859  3.9233  1367.67    210.157  1440.10    468.506  1349.43    235.142  49.618  9.0514  49.415  4.4408  0.2028580      10.08207  
1 1 1 5   70  18 o 7.8671  2.6417  31.505     26.570   -218.5582  397.630  32.627     26.630   19.010  8.6797  7.9601  2.6442  11.04993       9.073494  
1 1 1 5   70  19 o 77.599  3.1790  3288.24    267.192  3581.97    580.819  3209.39    300.924  79.564  6.8054  76.567  3.6286  2.996811       7.712325  
1 1 1 5   70  20 o 46.771  4.4714  1216.87    223.749  1298.33    469.177  1192.89    254.561  46.295  9.6688  46.094  5.1891  0.2007828      10.97330  
1 1 1 5   70  21 o 15.635  6.6302  21.909     194.831  -470.1461  411.885  163.742    221.134  16.898  8.0646  19.540  7.4788  -2.641174      10.99868  
1 1 1 5   70  22 o 47.351  4.3818  1258.79    222.177  1119.78    472.698  1298.21    251.714  41.419  10.518  47.874  4.9247  -6.454655      11.61338  
1 1 1 5   70  23 o 69.504  3.6207  2686.00    271.623  1847.51    555.373  2949.63    311.409  53.235  9.9991  72.654  3.9724  -19.41851      10.75931  
1 1 1 5   70  24 o 61.960  5.6574  2229.88    375.470  0.0000     0.0000   2229.88    375.470  ?       ?       61.960  5.6574  0.000000       5.657359  
1 1 1 5   70  25 o 20.403  8.4419  156.285    304.269  0.0000     0.0000   156.285    304.269  ?       ?       20.403  8.4419  0.000000       8.441869  
1 1 1 5   70  26 o 41.007  7.2260  1055.00    309.220  0.0000     0.0000   1055.00    309.220  ?       ?       41.007  7.2260  0.000000       7.226027  
1 1 1 5   70  27 o 25.764  8.8816  442.518    300.588  0.0000     0.0000   442.518    300.588  ?       ?       25.764  8.8816  0.000000       8.881569  
1 1 1 5   71  0  o 246.779 6.4138  33199.02   1714.34  32776.46   2425.05  33621.16   2423.83  244.368 9.1623  247.541 9.0403  -3.172531      12.87152  
1 1 1 5   71  1  o 267.964 6.8524  39184.13   1988.79  38725.73   2813.23  39642.10   2811.91  265.344 9.7887  268.515 9.6686  -3.171539      13.75864  
1 1 1 5   71  2  o 177.228 5.0526  17082.69   969.881  17636.10   1376.26  16536.69   1367.02  179.710 7.0706  173.981 7.2544  5.729584       10.13019  
1 1 1 5   71  3  o 80.501  2.7897  3514.23    243.235  3510.07    350.318  3518.10    337.986  80.293  4.0411  80.495  3.8767  -0.2015228     5.599962  
1 1 1 5   71  4  o 206.663 4.2295  23205.78   946.721  23905.07   1430.19  22660.38   1263.06  209.333 6.3079  203.942 5.7180  5.390076       8.513868  
1 1 1 5   71  5  o 112.304 2.9323  6841.84    356.672  6489.05    509.265  7181.48    499.691  109.263 4.3033  114.973 4.0127  -5.709366      5.883877  
1 1 1 5   71  6  f 196.187 3.8497  20910.61   818.017  20701.72   1158.90  21118.02   1154.81  194.883 5.4904  196.850 5.4163  -1.966766      7.712368  
1 1 1 5   71  7  o 143.072 3.2309  11112.58   500.664  10718.76   708.293  11505.85   707.800  140.328 4.6601  145.415 4.4940  -5.086838      6.473994  
1 1 1 5   71  8  o 79.958  2.8743  3469.75    248.919  3566.00    366.472  3387.31    339.163  80.854  4.1992  78.825  3.9855  2.028854       5.789441  
1 1 1 5   71  9  o 47.734  3.3372  1243.86    171.454  1392.63    258.155  1126.45    229.340  50.323  4.7943  45.218  4.7539  5.104607       6.751648  
1 1 1 5   71  10 o 141.976 3.2231  10951.48   495.624  10808.94   710.834  11086.34   691.405  140.801 4.6611  142.634 4.4755  -1.832733      6.461902  
1 1 1 5   71  11 o 137.734 3.2417  10309.92   483.599  10048.43   700.196  10548.43   668.714  135.698 4.7640  139.103 4.4385  -3.404877      6.511231  
1 1 1 5   71  12 o 69.177  2.5644  2597.92    192.136  1966.55    380.460  2814.07    222.607  59.577  5.9766  71.976  2.8555  -12.39876      6.623738  
1 1 1 5   71  13 o 89.948  3.0604  4398.85    298.153  4218.29    445.389  4545.46    401.346  87.725  4.7047  91.298  4.0587  -3.573502      6.213499  
1 1 1 5   71  14 o 134.582 3.7775  9873.56    550.633  9367.75    971.234  10113.15   668.441  129.915 6.9273  136.008 4.5376  -6.092926      8.281153  
1 1 1 5   71  15 o 42.944  4.1574  1016.80    190.955  1150.61    450.602  987.509    210.821  44.254  9.6710  42.212  4.6904  2.042187       10.74839  
1 1 1 5   71  16 o 92.190  3.1808  4630.06    317.609  4000.90    651.195  4826.45    363.817  84.399  7.1923  94.052  3.5714  -9.653404      8.030210  
1 1 1 5   71  17 f 39.722  4.8467  880.118    204.193  1071.43    445.568  829.258    229.738  42.337  9.8947  38.324  5.7089  4.012505       11.42350  
1 1 1 5   71  18 o 53.930  2.1786  1580.80    127.259  1403.24    475.280  1594.52    132.082  48.619  9.3653  54.157  2.2517  -5.538353      9.632183  
1 1 1 5   71  19 o 36.257  1.3887  713.085    54.536   -187.3876  430.145  727.796    54.980   20.115  9.1233  36.630  1.3858  -16.51464      9.227979  
1 1 1 5   71  20 o 86.559  3.2205  4099.16    301.931  4091.43    628.897  4101.48    344.192  84.697  6.9159  86.450  3.6759  -1.753677      7.832143  
1 1 1 5   71  21 o 57.310  3.9444  1821.38    243.349  1417.10    502.456  1945.27    278.148  47.548  10.070  59.078  4.3781  -11.53021      10.98055  
1 1 1 5   71  22 o 42.715  4.9712  1040.05    225.691  1058.28    466.616  1034.48    257.859  39.923  10.610  42.236  5.7891  -2.312771      12.08632  
1 1 1 5   71  23 o 34.736  2.3366  662.982    87.397   0.0000     0.0000   662.982    87.397   ?       ?       34.736  2.3366  0.000000       2.336589  
1 1 1 5   71  24 o 69.905  5.6181  2836.87    421.779  0.0000     0.0000   2836.87    421.779  ?       ?       69.905  5.6181  0.000000       5.618080  
1 1 1 5   71  25 o 62.417  5.4214  2272.89    362.871  0.0000     0.0000   2272.89    362.871  ?       ?       62.417  5.4214  0.000000       5.421410  
1 1 1 5   71  26 o 20.467  8.2251  198.551    278.876  0.0000     0.0000   198.551    278.876  ?       ?       20.467  8.2251  0.000000       8.225129  
1 1 1 5   72  0  o 107.047 4.0599  6223.93    470.719  5943.62    668.822  6499.05    662.614  104.266 5.9470  109.097 5.6268  -4.830307      8.187058  
1 1 1 5   72  1  o 136.105 4.3713  10066.75   644.391  9857.94    909.157  10277.56   913.472  134.444 6.2435  137.291 6.1430  -2.846970      8.758865  
1 1 1 5   72  2  o 189.562 5.2824  19561.53   1084.57  20063.02   1535.67  19062.46   1531.96  191.498 7.4039  186.617 7.5793  4.881516       10.59544  
1 1 1 5   72  3  o 150.923 4.6048  12386.45   752.723  12876.22   1070.54  11907.57   1058.58  153.577 6.4359  147.653 6.6193  5.923813       9.232296  
1 1 1 5   72  4  o 108.543 2.8883  6391.31    339.554  6533.37    481.549  6250.82    478.866  109.651 4.0547  107.248 4.1225  2.403351       5.782311  
1 1 1 5   72  5  f 142.694 3.1979  11051.70   494.242  11431.17   702.885  10680.58   695.107  144.967 4.4765  140.113 4.5804  4.854568       6.404648  
1 1 1 5   72  6  o 214.370 4.0381  24983.37   937.584  25322.09   1326.93  24645.66   1324.96  215.409 5.6874  212.492 5.7569  2.916550       8.092502  
1 1 1 5   72  7  o 88.281  2.8082  4229.23    268.512  4313.42    384.521  4149.11    375.119  89.064  3.9861  87.353  3.9648  1.710892       5.622147  
1 1 1 5   72  8  o 172.370 3.5275  16146.00   658.562  16937.15   935.955  15370.24   926.808  176.258 4.9027  167.862 5.0976  8.396286       7.072628  
1 1 1 5   72  9  o 55.597  3.1244  1684.17    187.380  1712.66    279.151  1660.80    252.795  55.863  4.6561  55.063  4.2722  0.7999268      6.319107  
1 1 1 5   72  10 o 125.426 3.0877  8545.98    419.455  8702.49    605.107  8401.22    581.968  126.363 4.4212  124.173 4.3271  2.189934       6.186380  
1 1 1 5   72  11 o 141.742 3.2640  10921.80   501.095  10991.81   719.883  10855.98   697.938  141.909 4.6836  141.057 4.5683  0.8527069      6.542584  
1 1 1 5   72  12 o 59.319  2.2619  1909.49    145.321  1119.78    332.538  2095.91    161.565  44.497  7.1414  62.139  2.4006  -17.64214      7.534063  
1 1 1 5   72  13 o 77.893  3.1947  3300.58    269.529  2920.73    418.191  3570.48    352.512  72.794  5.3413  80.910  4.0226  -8.115326      6.686623  
1 1 1 5   72  14 o 129.432 3.7235  9133.55    521.984  8727.55    925.806  9322.77    632.018  125.353 6.8448  130.573 4.4690  -5.219673      8.174532  
1 1 1 5   72  15 o 49.123  4.0009  1326.76    211.021  1588.36    471.359  1261.19    235.991  52.507  8.5850  47.764  4.6193  4.742691       9.748865  
1 1 1 5   72  16 o 17.708  6.8979  112.361    190.552  -74.6137   413.331  162.825    214.732  21.129  9.3032  19.630  7.4038  1.499067       11.88978  
1 1 1 5   72  17 f 31.046  6.0821  552.728    197.202  -86.1238   431.511  721.375    221.708  21.394  9.4585  35.613  5.9583  -14.21858      11.17878  
1 1 1 5   72  18 o 57.695  3.8645  1831.88    240.091  2182.88    500.071  1726.73    273.699  61.668  7.6512  55.829  4.5662  5.839115       8.910185  
1 1 1 5   72  19 o 51.540  2.5356  1446.70    141.545  1819.78    492.853  1413.16    147.771  55.755  8.4240  50.852  2.6925  4.903728       8.843815  
1 1 1 5   72  20 o 51.039  2.6968  1425.44    148.552  1751.65    504.209  1394.44    155.452  54.106  8.9145  50.447  2.8568  3.658558       9.361053  
1 1 1 5   72  21 o 23.772  2.0614  310.103    52.550   312.395    437.028  310.070    52.934   26.130  10.364  23.769  2.0771  2.360958       10.57050  
1 1 1 5   72  22 o 10.191  2.9486  58.314     34.403   116.005    429.542  57.942     34.513   22.741  9.7493  10.165  2.9569  12.57597       10.18783  
1 1 1 5   72  23 o 25.995  8.7508  415.795    291.554  0.0000     0.0000   415.795    291.554  ?       ?       25.995  8.7508  0.000000       8.750779  
1 1 1 5   72  24 o 20.360  8.1785  176.873    275.590  0.0000     0.0000   176.873    275.590  ?       ?       20.360  8.1785  0.000000       8.178469  
1 1 1 5   72  25 o 57.561  6.0378  1971.59    370.812  0.0000     0.0000   1971.59    370.812  ?       ?       57.561  6.0378  0.000000       6.037758  
1 1 1 5   72  26 o 41.571  7.7953  1108.56    338.094  0.0000     0.0000   1108.56    338.094  ?       ?       41.571  7.7953  0.000000       7.795340  
1 1 1 5   73  0  o 176.257 3.5692  16867.20   681.387  16911.85   966.487  16823.07   960.792  176.263 5.0625  175.803 5.0458  0.4602966      7.147672  
1 1 1 5   73  1  o 68.449  2.8492  2541.50    211.232  2562.37    300.373  2521.08    297.110  68.552  4.0636  67.996  4.0526  0.5554886      5.739062  
1 1 1 5   73  2  o 211.728 5.7143  24442.75   1310.43  24808.85   1858.11  24080.46   1848.40  212.594 8.0696  209.422 8.1490  3.171906       11.46840  
1 1 1 5   73  3  o 236.130 6.1669  30443.94   1577.20  31969.88   2234.50  28928.88   2226.52  241.066 8.5580  229.138 8.9714  11.92841       12.39864  
1 1 1 5   73  4  o 106.704 4.0008  6188.49    462.377  6708.99    660.273  5687.62    647.706  110.922 5.4959  101.912 5.8930  9.009804       8.058044  
1 1 1 5   73  5  o 103.953 2.8117  5863.41    316.577  6172.97    438.110  5525.15    457.963  106.578 3.7953  100.792 4.1950  5.786293       5.657074  
1 1 1 5   73  6  o 103.333 2.9284  5795.39    327.749  5631.10    475.098  5944.57    452.726  101.726 4.3120  104.555 3.9978  -2.828323      5.880128  
1 1 1 5   73  7  o 81.097  2.8043  3569.40    246.324  3555.68    353.461  3582.35    343.464  80.847  4.0365  81.161  3.9072  -0.3141632     5.617794  
1 1 1 5   73  8  f 52.796  2.1416  1511.61    122.462  1548.66    143.943  1414.53    233.021  53.427  2.4875  50.792  4.2755  2.634544       4.946475  
1 1 1 5   73  9  o 93.038  2.8898  4700.15    291.204  4628.54    425.564  4763.22    399.336  92.182  4.2623  93.553  3.9411  -1.370613      5.805117  
1 1 1 5   73  10 f 98.159  2.9863  5234.13    317.495  5071.43    473.462  5367.08    427.987  96.428  4.5333  99.280  3.9802  -2.851471      6.032593  
1 1 1 5   73  11 o 180.247 3.7145  17687.21   725.163  16258.42   1030.34  19089.65   1020.80  172.267 5.5222  186.843 5.0442  -14.57597      7.479186  
1 1 1 5   73  12 o 185.024 4.0513  18668.33   811.888  17961.95   1100.45  19512.10   1202.72  180.915 5.6160  188.434 5.8930  -7.519547      8.140428  
1 1 1 5   73  13 o 15.059  6.2856  27.144     170.816  -213.0542  284.152  163.063    213.750  15.637  7.2122  19.697  7.3954  -4.059590      10.32997  
1 1 1 5   73  14 o 109.643 3.5039  6551.45    416.101  6227.86    753.837  6693.24    499.007  105.863 6.6075  110.680 4.1626  -4.817261      7.809395  
1 1 1 5   73  15 o 78.085  3.1991  3321.52    270.565  2719.61    584.344  3485.78    305.259  69.217  7.9380  79.943  3.5255  -10.72585      8.685677  
1 1 1 5   73  16 o 121.650 3.1881  8067.39    420.062  7983.38    864.541  8093.35    480.605  119.502 6.7065  121.722 3.6454  -2.219681      7.633260  
1 1 1 5   73  17 o 100.382 3.1277  5496.37    340.057  4937.39    711.499  5661.86    387.136  93.535  7.0754  101.787 3.5116  -8.252190      7.898920  
1 1 1 5   73  18 o 55.587  4.0500  1704.27    242.156  1516.79    497.163  1762.58    277.270  50.460  9.4438  56.395  4.5789  -5.934940      10.49532  
1 1 1 5   73  19 f 113.655 3.2075  7063.04    394.846  5953.53    806.177  7413.18    452.884  102.076 7.3409  116.296 3.5955  -14.21973      8.174074  
1 1 1 5   73  20 o 50.848  2.2201  1408.21    122.269  1146.84    483.226  1426.09    126.381  42.596  10.533  51.162  2.2807  -8.565636      10.77712  
1 1 1 5   73  21 o 29.858  1.2204  483.870    39.466   297.879    434.415  485.418    39.630   25.677  10.285  29.905  1.2235  -4.227993      10.35705  
1 1 1 5   73  22 o 57.212  4.2361  1837.61    260.628  1816.63    517.803  1844.73    301.620  53.564  9.2604  56.967  4.9372  -3.403461      10.49429  
1 1 1 5   73  23 o 17.751  7.7689  4.2983     284.432  0.0000     0.0000   4.2983     284.432  ?       ?       17.751  7.7689  0.000000       7.768889  
1 1 1 5   73  24 o 26.525  8.9427  450.566    304.488  0.0000     0.0000   450.566    304.488  ?       ?       26.525  8.9427  0.000000       8.942706  
1 1 1 5   73  25 o 18.308  8.0495  22.880     308.446  0.0000     0.0000   22.880     308.446  ?       ?       18.308  8.0495  0.000000       8.049519  
1 1 1 5   73  26 o 24.187  9.0230  362.131    317.188  0.0000     0.0000   362.131    317.188  ?       ?       24.187  9.0230  0.000000       9.023007  
1 1 1 5   74  0  o 151.990 3.3414  12541.31   550.070  12362.62   777.769  12720.14   778.065  150.711 4.7647  152.885 4.6987  -2.174255      6.691823  
1 1 1 5   74  1  o 199.275 3.8983  21578.90   841.383  21328.29   1190.52  21828.98   1189.28  197.767 5.5579  200.093 5.4876  -2.325180      7.810493  
1 1 1 5   74  2  o 154.852 3.4614  13021.96   580.550  13420.32   856.796  12683.81   789.385  156.960 5.0399  152.638 4.7748  4.322128       6.942540  
1 1 1 5   74  3  o 133.337 4.3385  9671.56    626.553  9812.06    886.690  9531.45    885.469  134.007 6.1090  132.061 6.1905  1.945862       8.697299  
1 1 1 5   74  4  o 77.172  3.8919  3245.57    324.259  3031.82    466.288  3445.73    451.225  74.282  5.8428  79.318  5.2825  -5.036018      7.876765  
1 1 1 5   74  5  o 81.440  3.9147  3606.31    345.313  3346.44    498.262  3846.48    478.999  78.028  5.9403  83.804  5.3045  -5.776093      7.963994  
1 1 1 5   74  6  o 69.053  2.8559  2588.16    213.598  2924.59    313.123  2295.35    292.117  73.222  3.9630  64.813  4.1836  8.408783       5.762634  
1 1 1 5   74  7  o 118.128 3.0012  7577.12    383.989  7888.47    551.012  7283.15    535.410  120.373 4.2263  115.655 4.2742  4.717537       6.010846  
1 1 1 5   74  8  f 107.392 2.9613  6262.97    344.445  6145.51    500.954  6368.30    474.371  106.211 4.3547  108.162 4.0492  -1.951385      5.946386  
1 1 1 5   74  9  o 76.962  2.9671  3217.28    247.335  3055.60    382.206  3333.76    324.422  74.683  4.7497  78.266  3.8271  -3.582893      6.099681  
1 1 1 5   74  10 o 103.735 3.0379  5847.51    341.330  6153.16    501.034  5582.81    466.265  106.221 4.3550  101.195 4.2541  5.026466       6.087927  
1 1 1 5   74  11 o 109.053 3.1212  6466.06    368.658  6020.15    536.729  6864.31    507.242  104.957 4.7214  112.186 4.1745  -7.227974      6.302256  
1 1 1 5   74  12 o 95.791  3.0912  4990.14    320.714  4533.02    472.609  5380.33    436.639  90.903  4.8173  99.315  4.0592  -8.411911      6.299485  
1 1 1 5   74  13 o 78.570  3.2802  3360.50    279.141  2983.69    426.214  3643.52    369.385  73.523  5.3898  81.573  4.1951  -8.049797      6.829957  
1 1 1 5   74  14 o 12.759  5.8936  -149.4449  190.814  69.291     393.126  -216.8589  218.247  22.587  9.4890  13.053  6.1202  9.534200       11.29153  
1 1 1 5   74  15 o 106.644 3.0760  6194.77    355.291  6580.72    749.835  6083.04    403.456  108.702 6.3970  105.581 3.5281  3.121101       7.305399  
1 1 1 5   74  16 o 23.362  1.3250  296.862    33.388   298.437    424.436  296.852    33.492   26.676  10.322  23.361  1.3292  3.315205       10.40689  
1 1 1 5   74  17 o 77.459  3.4029  3278.13    285.491  2807.64    587.187  3423.78    326.705  69.975  7.8850  79.071  3.8148  -9.096832      8.759333  
1 1 1 5   74  18 o 67.615  3.6414  2510.46    265.690  2144.56    543.777  2625.21    304.514  60.627  8.5159  69.024  4.0915  -8.396961      9.447770  
1 1 1 5   74  19 o 23.766  7.3340  324.584    207.663  666.643    438.243  225.539    235.820  33.185  10.710  21.429  7.8173  11.75643       13.25934  
1 1 1 5   74  20 f 88.873  3.1917  4333.57    307.228  3920.93    654.298  4450.28    347.974  81.939  7.4540  89.914  3.5731  -7.974777      8.266143  
1 1 1 5   74  21 o 26.750  6.9890  433.402    204.724  241.848    448.198  483.905    230.135  24.884  10.267  28.133  7.4390  -3.248997      12.67834  
1 1 1 5   74  22 o 15.983  6.9693  -5.4132    227.022  0.0000     0.0000   -5.4132    227.022  ?       ?       15.983  6.9693  0.000000       6.969324  
1 1 1 5   74  23 o 44.718  7.5232  1228.97    351.445  0.0000     0.0000   1228.97    351.445  ?       ?       44.718  7.5232  0.000000       7.523226  
1 1 1 5   74  24 o 18.446  7.8166  82.560     270.500  0.0000     0.0000   82.560     270.500  ?       ?       18.446  7.8166  0.000000       7.816596  
1 1 1 5   74  25 f 25.658  9.4956  420.430    349.900  0.0000     0.0000   420.430    349.900  ?       ?       25.658  9.4956  0.000000       9.495558  
1 1 1 5   75  0  f 268.405 5.1545  39267.02   1498.48  37121.18   2292.18  40868.51   1980.22  259.716 8.1485  273.221 6.6916  -13.50433      10.54400  
1 1 1 5   75  1  o 190.296 3.7528  19679.11   773.485  19444.82   1096.46  19911.21   1091.30  188.820 5.3614  191.093 5.2727  -2.273102      7.519652  
1 1 1 5   75  2  o 45.093  3.3429  1110.29    162.107  1145.89    239.128  1080.02    220.509  45.601  4.9195  44.295  4.6664  1.305553       6.780643  
1 1 1 5   75  3  o 134.850 3.1859  9873.67    465.319  9608.59    673.848  10115.28   643.332  132.825 4.6839  136.334 4.3567  -3.509018      6.396902  
1 1 1 5   75  4  o 78.439  3.8592  3345.33    327.864  3433.66    471.640  3262.72    456.091  79.112  5.5392  77.116  5.4965  1.995865       7.803504  
1 1 1 5   75  5  o 51.106  4.2841  1431.59    234.949  1699.87    348.236  1207.44    318.312  55.452  5.8881  46.509  6.4962  8.943016       8.767627  
1 1 1 5   75  6  o 53.446  4.2252  1564.67    242.591  1291.39    351.986  1811.92    334.808  48.010  6.9729  57.338  5.4570  -9.327770      8.854441  
1 1 1 5   75  7  o 29.341  6.1978  489.196    190.785  420.267    276.809  551.570    263.319  27.525  8.4630  31.025  7.8344  -3.500765      11.53258  
1 1 1 5   75  8  o 39.768  3.8767  868.806    164.857  692.651    249.895  1004.55    219.365  34.909  6.8539  42.636  4.8358  -7.727242      8.388155  
1 1 1 5   75  9  o 71.931  3.0862  2811.69    240.445  2830.11    378.208  2799.19    311.500  71.819  4.8912  71.573  4.0347  0.2461929      6.340596  
1 1 1 5   75  10 o 124.607 3.1551  8441.82    425.826  8441.84    612.478  8441.79    592.440  124.344 4.5477  124.377 4.3978  -0.3246307E-01 6.326344  
1 1 1 5   75  11 o 115.105 3.0958  7204.33    385.951  6851.68    556.505  7531.14    535.722  111.981 4.5883  117.484 4.2101  -5.503609      6.227165  
1 1 1 5   75  12 o 87.817  3.1271  4195.27    297.437  4269.38    445.078  4135.46    399.829  88.224  4.6745  87.024  4.2420  1.199966       6.312296  
1 1 1 5   75  13 o 116.377 3.2010  7373.30    403.487  7005.82    593.664  7688.79    550.062  113.057 4.8481  118.595 4.2823  -5.538673      6.468560  
1 1 1 5   75  14 o 69.462  3.8688  2643.46    289.916  2483.73    541.151  2707.75    343.347  66.208  7.6896  70.154  4.5431  -3.945923      8.931388  
1 1 1 5   75  15 f 92.565  3.1278  4669.25    313.590  3925.83    666.449  4880.66    355.391  83.373  7.4591  94.569  3.4696  -11.19695      8.226585  
1 1 1 5   75  16 o 103.914 2.9821  5885.21    335.631  6110.73    739.331  5826.67    376.682  104.427 6.5701  103.306 3.3665  1.121429       7.382405  
1 1 1 5   75  17 o 97.479  3.2345  5188.28    341.503  4837.72    699.364  5298.04    391.330  92.495  7.0336  98.389  3.6722  -5.893326      7.934542  
1 1 1 5   75  18 o 62.806  3.6903  2169.64    249.931  1768.04    530.923  2283.97    283.282  54.440  9.3405  64.335  4.0866  -9.894886      10.19532  
1 1 1 5   75  19 o 49.111  4.3014  1342.23    226.492  1459.08    490.200  1310.51    255.387  48.839  9.6091  48.314  4.9503  0.5253143      10.80929  
1 1 1 5   75  20 o 19.215  7.2167  173.000    203.575  -80.2904   439.183  242.315    229.747  20.935  9.3802  21.478  7.7338  -0.5432892     12.15730  
1 1 1 5   75  21 o 63.795  3.7115  2262.46    255.348  1983.57    544.803  2340.97    289.064  56.130  9.2861  64.691  4.1474  -8.561386      10.17015  
1 1 1 5   75  22 o 22.879  8.1796  296.038    256.565  0.0000     0.0000   296.038    256.565  ?       ?       22.879  8.1796  0.000000       8.179613  
1 1 1 5   75  23 o 20.955  8.1184  215.655    262.832  0.0000     0.0000   215.655    262.832  ?       ?       20.955  8.1184  0.000000       8.118402  
1 1 1 5   75  24 f 17.340  7.9010  -97.6506   327.355  0.0000     0.0000   -97.6506   327.355  ?       ?       17.340  7.9010  0.000000       7.900972  
1 1 1 5   75  25 o 24.942  8.7307  396.665    290.997  0.0000     0.0000   396.665    290.997  ?       ?       24.942  8.7307  0.000000       8.730722  
1 1 1 5   76  0  f 81.240  2.8113  3581.62    247.373  3339.96    354.723  3810.41    345.149  78.240  4.2013  83.722  3.8062  -5.482140      5.669060  
1 1 1 5   76  1  o 156.044 3.3284  13225.45   562.534  12901.44   795.884  13548.90   795.203  153.882 4.7752  157.720 4.6550  -3.837646      6.668709  
1 1 1 5   76  2  o 172.036 3.5013  16081.24   652.411  16387.12   923.320  15776.24   921.977  173.386 4.9166  170.104 5.0042  3.282349       7.015380  
1 1 1 5   76  3  o 15.962  5.6928  119.082    124.203  158.604    187.843  88.381     165.558  18.986  6.9692  16.408  6.4190  2.578621       9.474914  
1 1 1 5   76  4  f 30.599  4.2935  519.543    138.377  498.478    204.332  537.388    188.067  29.590  6.5488  30.854  5.8416  -1.263836      8.775637  
1 1 1 5   76  5  f 36.690  5.2068  749.190    201.108  944.229    303.273  596.109    268.679  40.885  7.1066  32.255  7.7805  8.629555       10.53755  
1 1 1 5   76  6  o 43.119  4.6596  1025.28    214.156  1254.41    315.105  828.594    291.945  47.439  6.2877  38.184  7.3255  9.254227       9.653888  
1 1 1 5   76  7  o 66.615  3.8959  2423.43    279.869  2540.91    413.191  2323.84    380.426  67.907  5.6697  64.963  5.4573  2.943733       7.869367  
1 1 1 5   76  8  o 102.288 4.0886  5699.92    452.973  5873.57    651.868  5537.79    629.898  103.356 5.8470  100.356 5.8200  3.000359       8.249894  
1 1 1 5   76  9  o 153.380 3.3599  12795.98   558.169  13208.64   800.191  12404.92   778.977  155.495 4.7512  150.684 4.7730  4.810989       6.734653  
1 1 1 5   76  10 o 43.467  4.2825  1040.70    198.997  1059.08    322.241  1029.36    253.003  43.237  7.1297  42.979  5.5657  0.2573776      9.044830  
1 1 1 5   76  11 o 20.705  6.5148  234.245    162.970  287.973    294.865  210.615    195.551  24.413  8.7646  20.546  7.1590  3.866701       11.31679  
1 1 1 5   76  12 o 37.002  5.3567  766.823    208.437  904.556    340.654  684.399    263.526  39.534  8.2234  34.486  7.2836  5.048187       10.98526  
1 1 1 5   76  13 o 22.991  7.1477  293.648    196.833  189.587    322.641  355.339    248.417  22.868  8.9569  25.323  8.0519  -2.455036      12.04410  
1 1 1 5   76  14 o 17.588  7.2143  65.698     219.721  221.530    411.658  3.6189     259.826  25.264  10.047  17.751  7.5954  7.513235       12.59500  
1 1 1 5   76  15 o 10.998  5.1858  -174.9259  160.586  19.635     403.973  -211.4403  175.008  22.036  9.4510  11.212  5.3243  10.82354       10.84755  
1 1 1 5   76  16 o 50.818  2.1917  1403.54    120.633  1391.11    489.619  1404.34    124.470  48.292  9.6976  50.826  2.2610  -2.534409      9.957727  
1 1 1 5   76  17 o 56.652  4.0233  1769.62    245.264  2035.43    514.027  1691.26    279.082  59.216  8.2377  55.194  4.7136  4.021633       9.490938  
1 1 1 5   76  18 o 75.429  3.3211  3114.07    271.322  2930.69    586.471  3164.01    306.043  71.188  7.7304  75.929  3.7214  -4.740234      8.579541  
1 1 1 5   76  19 o 31.899  6.2678  595.069    208.830  353.165    458.715  658.311    234.544  27.293  10.683  33.434  6.7101  -6.141445      12.61535  
1 1 1 5   76  20 o 34.170  5.9362  682.865    211.723  714.918    466.637  674.555    237.586  33.145  11.071  33.615  6.7599  -0.4692001     12.97178  
1 1 1 5   76  21 o 15.982  6.6003  63.438     185.511  -150.2219  439.678  109.712    204.616  19.949  9.1156  17.583  7.0527  2.366589       11.52542  
1 1 1 5   76  22 o 19.139  7.6257  148.206    237.552  0.0000     0.0000   148.206    237.552  ?       ?       19.139  7.6257  0.000000       7.625675  
1 1 1 5   76  23 o 12.765  6.1167  -289.3639  242.178  0.0000     0.0000   -289.3639  242.178  ?       ?       12.765  6.1167  0.000000       6.116670  
1 1 1 5   76  24 o 36.172  8.6227  862.292    333.044  0.0000     0.0000   862.292    333.044  ?       ?       36.172  8.6227  0.000000       8.622684  
1 1 1 5   76  25 o 17.376  7.7642  -26.7993   298.695  0.0000     0.0000   -26.7993   298.695  ?       ?       17.376  7.7642  0.000000       7.764152  
1 1 1 5   77  0  o 68.189  2.8789  2523.98    212.628  2688.05    293.181  2341.93    308.832  70.199  3.8709  65.439  4.3826  4.759987       5.847317  
1 1 1 5   77  1  o 87.506  2.8043  4156.13    265.784  4151.69    380.827  4160.33    371.112  87.357  4.0250  87.458  3.9177  -0.1014023     5.616846  
1 1 1 5   77  2  o 86.557  2.8172  4066.65    264.115  4083.20    380.431  4051.26    366.962  86.627  4.0546  86.300  3.9259  0.3267441      5.643833  
1 1 1 5   77  3  o 141.423 3.2271  10864.40   494.311  10723.39   698.239  11006.08   699.886  140.282 4.5955  142.128 4.5465  -1.846359      6.464464  
1 1 1 5   77  4  o 301.092 5.3488  49520.34   1744.32  50225.25   2469.01  48817.90   2464.69  301.944 7.5496  297.619 7.6460  4.325195       10.74513  
1 1 1 5   77  5  o 233.979 4.3483  29825.03   1101.97  31189.59   1560.58  28468.01   1556.26  238.615 6.0383  227.850 6.3062  10.76584       8.730922  
1 1 1 5   77  6  o 79.108  2.8199  3398.03    241.613  3438.77    345.661  3359.10    337.858  79.370  4.0342  78.450  3.9894  0.9201965      5.673614  
1 1 1 5   77  7  o 81.230  3.9539  3593.15    347.862  3416.98    496.685  3762.75    487.351  78.743  5.8657  82.742  5.4689  -3.998405      8.019738  
1 1 1 5   77  8  o 20.064  6.7148  209.382    171.661  441.995    302.655  99.061     208.430  28.241  8.8769  18.053  7.1586  10.18798       11.40374  
1 1 1 5   77  9  o 125.976 4.4116  8662.26    601.940  8002.50    869.890  9268.41    833.798  120.293 6.7032  129.901 5.9262  -9.608047      8.947235  
1 1 1 5   77  10 o 117.357 3.1380  7490.59    398.878  6977.14    581.092  7948.08    548.513  112.954 4.7498  120.686 4.1962  -7.732071      6.337899  
1 1 1 5   77  11 o 84.159  3.2468  3854.80    295.959  4101.96    447.167  3662.13    394.805  86.433  4.7954  81.727  4.4771  4.706139       6.560544  
1 1 1 5   77  12 o 43.389  4.6182  1042.08    213.693  1250.50    370.115  937.854    261.723  46.822  7.5555  40.796  6.1113  6.025631       9.717669  
1 1 1 5   77  13 o 51.077  2.2148  1416.85    122.529  1464.75    134.944  1191.89    292.451  51.920  2.3996  46.072  6.0032  5.848183       6.465060  
1 1 1 5   77  14 o 79.400  3.7481  3444.56    322.331  3000.75    594.677  3629.20    383.563  72.740  7.6635  81.257  4.3743  -8.517960      8.823988  
1 1 1 5   77  15 o 73.634  3.3178  2959.19    264.607  3118.51    563.919  2914.21    299.643  74.267  7.0969  72.886  3.8089  1.381119       8.054436  
1 1 1 5   77  16 o 86.476  2.8674  4075.27    268.568  3609.86    634.246  4176.95    296.458  79.675  7.4356  87.496  3.1283  -7.821472      8.066813  
1 1 1 5   77  17 o 85.126  3.2767  3961.41    302.108  3564.10    637.747  4076.37    343.040  78.859  7.5593  86.249  3.6722  -7.389755      8.404012  
1 1 1 5   77  18 o 69.634  3.5770  2668.34    268.874  1922.12    570.602  2881.32    304.839  56.245  9.7180  72.257  3.9097  -16.01155      10.47493  
1 1 1 5   77  19 o 49.314  4.2038  1357.61    222.391  1120.86    501.487  1415.56    248.123  41.446  10.992  50.212  4.6139  -8.766422      11.92084  
1 1 1 5   77  20 o 67.843  3.7816  2557.76    276.772  1780.41    565.471  2802.66    317.389  52.429  10.325  70.842  4.1546  -18.41361      11.12993  
1 1 1 5   77  21 o 51.579  4.8282  1511.65    266.591  0.0000     0.0000   1511.65    266.591  ?       ?       51.579  4.8282  0.000000       4.828156  
1 1 1 5   77  22 f 65.880  5.0434  2481.55    357.140  0.0000     0.0000   2481.55    357.140  ?       ?       65.880  5.0434  0.000000       5.043407  
1 1 1 5   77  23 o 37.203  7.0292  851.677    272.862  0.0000     0.0000   851.677    272.862  ?       ?       37.203  7.0292  0.000000       7.029192  
1 1 1 5   77  24 o 35.476  7.8974  807.851    295.647  0.0000     0.0000   807.851    295.647  ?       ?       35.476  7.8974  0.000000       7.897447  
1 1 1 5   78  0  o 101.992 2.8542  5647.02    315.293  5597.24    445.140  5697.14    446.648  101.417 4.0524  102.321 4.0302  -0.9037704     5.715313  
1 1 1 5   78  1  o 172.795 3.5356  16230.18   661.700  15680.58   934.047  16783.90   937.531  169.507 5.0876  175.409 4.9347  -5.901962      7.087657  
1 1 1 5   78  2  o 151.853 3.2552  12528.05   535.392  12993.49   762.833  12076.22   751.608  154.410 4.5613  148.839 4.6623  5.570923       6.522462  
1 1 1 5   78  3  o 120.700 3.0010  7911.78    392.329  7746.23    559.135  8072.33    550.637  119.250 4.3290  121.759 4.1754  -2.508934      6.014479  
1 1 1 5   78  4  o 83.374  2.7850  3773.91    251.491  3821.83    362.272  3729.33    349.402  83.791  3.9918  82.781  3.8970  1.010231       5.578579  
1 1 1 5   78  5  o 76.101  2.7751  3144.51    228.735  2971.33    328.970  3306.60    318.257  73.745  4.1353  77.952  3.7694  -4.207336      5.595491  
1 1 1 5   78  6  o 61.092  2.9740  2027.57    196.786  2008.61    283.626  2045.17    273.259  60.543  4.3543  61.126  4.1520  -0.5833092     6.016610  
1 1 1 5   78  7  o 47.987  3.4472  1259.10    177.978  1481.85    271.206  1090.61    235.874  51.851  4.8868  44.394  4.9921  7.456604       6.985855  
1 1 1 5   78  8  o 37.945  5.8457  808.016    232.538  690.484    374.180  881.971    296.814  34.549  9.6358  39.362  7.2284  -4.813389      12.04570  
1 1 1 5   78  9  o 19.192  7.2386  151.234    205.255  228.068    337.114  105.972    258.743  24.032  9.2256  19.697  7.9202  4.335211       12.15899  
1 1 1 5   78  10 o 109.811 4.4315  6589.15    527.069  6746.17    759.740  6443.45    731.821  110.411 6.3802  107.931 6.2875  2.480385       8.957660  
1 1 1 5   78  11 o 137.121 4.7856  10299.65   710.734  9825.87    1066.21  10678.54   953.469  132.668 7.4502  139.027 6.3319  -6.359207      9.777453  
1 1 1 5   78  12 o 96.266  3.2462  5047.91    338.464  4995.93    505.314  5090.21    455.824  95.291  4.9127  96.443  4.3637  -1.151421      6.570880  
1 1 1 5   78  13 o 151.784 3.5853  12573.64   589.423  12687.55   833.392  12459.63   833.747  151.886 5.0660  150.493 5.1150  1.392853       7.199119  
1 1 1 5   78  14 o 133.561 3.8089  9754.53    551.000  9529.40    979.013  9858.90    666.599  130.382 6.9578  133.980 4.5936  -3.598068      8.337432  
1 1 1 5   78  15 o 56.742  3.5591  1766.51    217.626  1390.10    506.709  1851.65    240.984  48.161  10.039  58.035  3.8558  -9.874069      10.75432  
1 1 1 5   78  16 o 41.099  2.0486  917.856    91.194   1071.22    466.122  911.752    92.991   41.934  10.330  40.905  2.1061  1.029469       10.54272  
1 1 1 5   78  17 o 50.973  4.2264  1440.19    231.232  1555.35    510.285  1410.43    259.392  50.752  9.6355  50.267  4.8236  0.4847183      10.77538  
1 1 1 5   78  18 o 55.485  3.9168  1705.55    233.873  1141.93    522.625  1846.68    261.520  42.081  11.250  57.644  4.2180  -15.56329      12.01450  
1 1 1 5   78  19 o 14.913  6.4957  -13.3460   196.723  188.103    444.260  -62.4809   219.407  24.255  10.132  14.918  6.6609  9.337626       12.12505  
1 1 1 5   78  20 o 44.557  4.6536  1124.24    221.270  636.833    500.995  1242.35    246.627  31.592  11.414  46.732  4.9478  -15.13972      12.44039  
1 1 1 5   78  21 o 73.676  4.7060  3070.47    373.568  0.0000     0.0000   3070.47    373.568  ?       ?       73.676  4.7060  0.000000       4.705953  
1 1 1 5   78  22 o 18.817  7.8651  98.998     267.981  0.0000     0.0000   98.998     267.981  ?       ?       18.817  7.8651  0.000000       7.865127  
1 1 1 5   78  23 o 40.120  7.8638  1017.47    329.496  0.0000     0.0000   1017.47    329.496  ?       ?       40.120  7.8638  0.000000       7.863762  
1 1 1 5   78  24 f 30.145  8.5917  601.476    294.153  0.0000     0.0000   601.476    294.153  ?       ?       30.145  8.5917  0.000000       8.591680  
1 1 1 5   79  0  o 29.993  4.2980  499.840    135.634  100.852    201.929  827.829    183.083  17.917  7.0647  38.727  4.4453  -20.81018      8.346892  
1 1 1 5   79  1  o 38.954  3.3994  831.030    141.990  905.278    203.349  760.385    198.353  40.472  4.7281  36.981  5.0868  3.491154       6.944803  
1 1 1 5   79  2  o 125.962 3.0495  8618.51    416.045  8704.72    590.789  8533.70    585.992  126.399 4.3154  125.150 4.3231  1.249153       6.108288  
1 1 1 5   79  3  o 148.873 3.2664  12045.39   526.688  12413.98   748.786  11684.45   740.973  150.874 4.5822  146.353 4.6745  4.521118       6.545756  
1 1 1 5   79  4  o 96.609  2.8799  5069.06    301.346  5125.48    427.484  5013.33    424.863  97.007  4.0686  95.937  4.0888  1.069969       5.768177  
1 1 1 5   79  5  o 92.601  2.7112  4656.20    271.923  4467.40    366.993  4886.03    404.913  90.594  3.7401  94.717  3.9470  -4.122391      5.437563  
1 1 1 5   79  6  o 87.402  2.6334  4147.88    249.288  4361.67    328.867  3859.11    382.210  89.548  3.3907  84.135  4.1943  5.413857       5.393418  
1 1 1 5   79  7  o 229.004 4.2632  28605.17   1057.41  28972.59   1498.58  28240.85   1492.25  229.652 6.0247  226.706 6.0773  2.946793       8.557513  
1 1 1 5   79  8  o 86.869  3.0264  4102.42    284.746  4058.94    416.542  4140.56    390.136  86.097  4.4823  87.127  4.1342  -1.030426      6.097791  
1 1 1 5   79  9  o 87.980  3.6941  4217.59    352.019  4342.55    445.392  4009.63    574.589  89.001  4.6364  85.075  6.2801  3.925049       7.806135  
1 1 1 5   79  10 o 67.109  4.7435  2477.66    342.563  3261.05    565.956  2024.71    430.349  76.421  6.9124  60.135  6.7223  16.28581       9.642084  
1 1 1 5   79  11 o 64.397  5.1771  2291.91    358.048  2975.53    628.024  1962.71    435.813  72.448  8.1447  59.073  6.9439  13.37465       10.70296  
1 1 1 5   79  12 o 45.832  5.8873  1178.29    285.496  1116.41    555.949  1200.45    332.717  42.981  11.651  45.985  6.8926  -3.003914      13.53673  
1 1 1 5   79  13 o 37.285  2.3993  758.721    96.379   1496.79    540.886  734.518    97.946   50.118  10.308  36.673  2.4804  13.44485       10.60246  
1 1 1 5   79  14 o 71.556  2.9678  2789.99    230.009  2645.16    297.673  3004.58    362.343  69.395  3.9770  73.816  4.5543  -4.421623      6.046374  
1 1 1 5   79  15 o 146.565 3.3974  11734.31   539.320  11536.87   1103.02  11796.34   618.264  143.258 7.1088  146.756 3.8896  -3.497574      8.103331  
1 1 1 5   79  16 o 44.045  2.4324  1059.17    115.587  1549.12    489.035  1030.18    118.957  51.017  9.1881  43.420  2.5405  7.597321       9.532865  
1 1 1 5   79  17 o 56.632  4.1089  1776.32    250.316  1943.62    532.152  1728.78    283.657  57.082  8.8974  55.658  4.7509  1.423508       10.08634  
1 1 1 5   79  18 o 50.917  4.5092  1451.92    246.105  1181.69    515.146  1531.83    280.141  42.615  11.064  52.107  5.0261  -9.492142      12.15171  
1 1 1 5   79  19 o 70.291  3.5987  2736.45    273.059  2614.35    583.752  2770.64    308.941  65.602  8.4093  70.517  4.0621  -4.915359      9.338989  
1 1 1 5   79  20 o 19.782  7.3271  196.625    208.419  213.724    459.252  192.190    233.892  24.583  10.288  20.170  7.6983  4.412500       12.84902  
1 1 1 5   79  21 o 45.110  7.3067  1234.30    344.791  0.0000     0.0000   1234.30    344.791  ?       ?       45.110  7.3067  0.000000       7.306721  
1 1 1 5   79  22 f 31.282  9.0281  643.409    322.877  0.0000     0.0000   643.409    322.877  ?       ?       31.282  9.0281  0.000000       9.028062  
1 1 1 5   79  23 o 20.079  8.3725  138.855    302.640  0.0000     0.0000   138.855    302.640  ?       ?       20.079  8.3725  0.000000       8.372537  
1 1 1 5   79  24 o 26.243  8.9065  445.792    302.050  0.0000     0.0000   445.792    302.050  ?       ?       26.243  8.9065  0.000000       8.906530  
1 1 1 5   80  0  o 21.128  6.0417  250.623    145.211  241.821    172.049  272.421    270.749  21.132  6.6990  23.700  8.4102  -2.567762      10.75206  
1 1 1 5   80  1  o 92.426  2.8558  4639.25    285.889  4197.81    401.242  5094.43    407.446  87.773  4.2206  96.738  3.8887  -8.965164      5.738919  
1 1 1 5   80  2  o 161.292 3.3869  14145.40   591.678  14871.13   841.067  13434.35   832.516  165.070 4.7043  156.841 4.9007  8.228317       6.793192  
1 1 1 5   80  3  o 165.713 3.4525  14935.32   619.666  15116.04   878.416  14756.30   874.278  166.359 4.8751  164.357 4.9112  2.001862       6.920040  
1 1 1 5   80  4  o 98.132  2.8641  5230.97    304.418  5172.29    436.019  5286.78    425.209  97.420  4.1322  98.514  3.9850  -1.094086      5.740722  
1 1 1 5   80  5  o 98.912  2.9427  5315.86    315.258  5371.06    462.344  5267.88    430.989  99.239  4.3014  98.320  4.0472  0.9182434      5.906107  
1 1 1 5   80  6  o 74.387  3.0228  3007.51    243.545  2949.63    352.468  3060.39    336.909  73.380  4.4559  74.801  4.1751  -1.420738      6.106260  
1 1 1 5   80  7  o 134.407 3.1122  9822.95    453.070  10099.03   646.374  9556.30    635.247  136.011 4.3877  132.295 4.4333  3.716232       6.237502  
1 1 1 5   80  8  o 112.778 3.1180  6917.80    380.860  6677.19    542.717  7151.28    534.610  110.534 4.5332  114.440 4.3131  -3.905991      6.257217  
1 1 1 5   80  9  o 105.594 3.1404  6066.94    359.170  5720.04    526.528  6368.85    491.198  102.219 4.7557  107.989 4.1996  -5.769363      6.344566  
1 1 1 5   80  10 o 225.184 4.2946  27723.63   1047.44  28328.01   1489.01  27131.60   1473.71  226.559 6.0680  221.675 6.1380  4.884033       8.631108  
1 1 1 5   80  11 o 213.189 5.8771  25093.81   1357.05  25724.67   1938.15  24487.09   1900.71  213.757 8.3714  208.509 8.4163  5.247879       11.87075  
1 1 1 5   80  12 o 69.310  5.2404  2659.34    390.490  2451.13    690.644  2757.18    473.426  64.617  10.207  70.250  6.2886  -5.632652      11.98880  
1 1 1 5   80  13 o 13.996  6.4567  -169.0791  227.891  -544.9425  576.222  -99.3882   248.121  20.891  9.8422  15.713  7.0447  5.178353       12.10355  
1 1 1 5   80  14 o 22.922  8.1142  266.313    251.878  253.040    552.715  269.792    282.969  28.162  11.484  23.553  8.5677  4.608200       14.32797  
1 1 1 5   80  15 o 57.770  3.6585  1833.92    227.734  1668.86    517.221  1873.61    253.643  53.050  9.3430  58.302  4.0416  -5.252972      10.17968  
1 1 1 5   80  16 o 50.844  2.4357  1407.81    134.130  1707.81    505.558  1385.09    139.115  53.562  9.0361  50.354  2.5592  3.208256       9.391477  
1 1 1 5   80  17 o 24.536  7.4278  352.301    214.328  239.982    492.327  378.564    238.071  26.218  10.782  25.412  7.8544  0.8058128      13.33933  
1 1 1 5   80  18 o 56.671  3.9324  1786.11    239.880  1234.89    537.944  1922.92    268.000  43.086  11.364  58.686  4.2449  -15.60014      12.13094  
1 1 1 5   80  19 o 62.234  3.9817  2158.34    266.983  1865.90    555.171  2246.32    304.506  54.189  9.8206  63.263  4.4728  -9.074203      10.79121  
1 1 1 5   80  20 o 86.245  3.7792  4130.10    353.022  0.0000     0.0000   4130.10    353.022  ?       ?       86.245  3.7792  0.000000       3.779156  
1 1 1 5   80  21 o 47.804  5.9392  1339.37    300.883  0.0000     0.0000   1339.37    300.883  ?       ?       47.804  5.9392  0.000000       5.939160  
1 1 1 5   80  22 o 29.247  8.4559  553.367    283.022  0.0000     0.0000   553.367    283.022  ?       ?       29.247  8.4559  0.000000       8.455917  
1 1 1 5   80  23 o 54.776  5.4381  1750.22    318.367  0.0000     0.0000   1750.22    318.367  ?       ?       54.776  5.4381  0.000000       5.438098  
1 1 1 5   81  0  o 169.023 3.5041  15540.62   641.486  15454.30   909.312  15626.15   905.100  168.168 4.9923  169.116 4.9413  -0.9477997     7.024192  
1 1 1 5   81  1  o 150.586 3.2997  12329.29   538.188  11902.88   762.755  12752.05   759.479  147.640 4.7699  152.863 4.5871  -5.223160      6.617703  
1 1 1 5   81  2  o 137.502 3.1614  10276.96   470.825  10235.02   667.979  10318.36   663.734  136.962 4.5029  137.529 4.4558  -0.5671234     6.334881  
1 1 1 5   81  3  o 148.754 3.2905  12032.33   530.155  11910.18   753.642  12151.99   745.924  147.682 4.7116  149.199 4.6159  -1.516571      6.595881  
1 1 1 5   81  4  o 192.613 3.7874  20203.01   790.136  20659.15   1124.19  19757.69   1110.77  194.244 5.3434  189.937 5.3994  4.307068       7.596432  
1 1 1 5   81  5  o 153.415 3.3581  12803.77   558.001  12949.52   797.050  12663.67   781.447  153.929 4.7807  152.233 4.7394  1.696442       6.731803  
1 1 1 5   81  6  o 81.487  2.9457  3609.07    259.987  3673.81    379.633  3551.89    356.785  81.938  4.2926  80.600  4.1005  1.338226       5.936378  
1 1 1 5   81  7  o 142.324 3.2950  11022.93   507.922  10849.26   721.851  11193.23   714.822  140.838 4.7321  143.088 4.6124  -2.250626      6.608106  
1 1 1 5   81  8  o 89.429  3.1368  4351.30    303.832  4376.29    434.799  4327.46    424.745  89.354  4.5072  88.982  4.4071  0.3718414      6.303783  
1 1 1 5   81  9  o 50.006  3.8309  1372.15    205.911  1705.92    323.178  1144.05    267.159  55.453  5.4513  45.283  5.5641  10.16928       7.789466  
1 1 1 5   81  10 o 88.192  3.2443  4236.56    309.899  3912.30    450.866  4526.95    426.663  84.285  4.9607  90.960  4.3308  -6.674377      6.585167  
1 1 1 5   81  11 o 97.271  3.3173  5157.26    349.492  4748.96    519.740  5494.26    472.188  92.769  5.1935  100.165 4.3524  -7.396324      6.776125  
1 1 1 5   81  12 o 85.979  3.2951  4031.51    306.850  3822.01    471.633  4185.28    404.063  83.108  5.2668  87.396  4.2686  -4.288818      6.779364  
1 1 1 5   81  13 o 76.298  4.8950  3217.55    402.384  3618.51    651.487  2970.25    511.639  79.825  7.6281  72.707  6.5679  7.117096       10.06610  
1 1 1 5   81  14 o 95.479  4.6057  5015.95    476.289  5043.56    775.264  4999.21    603.640  94.167  7.6677  94.666  5.9169  -0.4991302     9.685257  
1 1 1 5   81  15 o 82.792  6.0529  3848.53    539.015  0.0000     0.0000   3848.53    539.015  ?       ?       82.792  6.0529  0.000000       6.052902  
1 1 1 5   81  16 o 65.033  4.8959  2360.40    342.323  0.0000     0.0000   2360.40    342.323  ?       ?       65.033  4.8959  0.000000       4.895905  
1 1 1 5   81  17 o 81.764  3.2496  3670.23    287.784  2881.11    626.433  3881.32    323.997  69.372  8.5161  83.968  3.5625  -14.59653      9.231219  
1 1 1 5   81  18 o 78.449  3.4905  3394.16    296.581  2716.78    669.271  3559.68    330.838  65.937  9.6576  80.201  3.8086  -14.26403      10.38142  
1 1 1 5   81  19 o 63.907  3.8807  2273.91    267.345  1748.75    608.677  2399.44    297.587  51.080  11.301  65.493  4.2176  -14.41276      12.06253  
1 1 1 5   81  20 o 84.590  4.9023  4055.56    447.217  0.0000     0.0000   4055.56    447.217  ?       ?       84.590  4.9023  0.000000       4.902272  
1 1 1 5   81  21 o 47.534  6.4812  1345.48    324.982  0.0000     0.0000   1345.48    324.982  ?       ?       47.534  6.4812  0.000000       6.481240  
1 1 1 5   81  22 o 87.351  4.8707  4364.07    458.986  0.0000     0.0000   4364.07    458.986  ?       ?       87.351  4.8707  0.000000       4.870704  
1 1 1 5   81  23 o 70.893  5.2014  2906.13    396.604  0.0000     0.0000   2906.13    396.604  ?       ?       70.893  5.2014  0.000000       5.201428  
1 1 1 5   82  0  o 126.674 3.0775  8721.27    422.232  8075.02    596.418  9370.59    597.838  121.637 4.5270  131.101 4.2103  -9.463516      6.182259  
1 1 1 5   82  1  o 205.436 3.9882  22995.06   887.413  21829.93   1256.43  24154.86   1253.56  199.485 5.8151  209.975 5.5120  -10.49049      8.012320  
1 1 1 5   82  2  o 145.939 3.2634  11581.93   515.842  11431.23   733.504  11729.39   725.582  144.671 4.6811  146.575 4.5704  -1.903564      6.542287  
1 1 1 5   82  3  o 113.509 2.9985  7002.48    368.638  7483.04    531.623  6557.40    511.619  117.141 4.1901  109.635 4.3085  7.505875       6.010035  
1 1 1 5   82  4  o 18.039  6.1696  164.702    144.947  -18.6150   231.660  282.636    185.811  16.496  7.1169  22.595  6.9315  -6.099211      9.934577  
1 1 1 5   82  5  o 115.346 2.9988  7232.77    374.645  7394.67    540.919  7083.50    519.392  116.397 4.2906  113.939 4.2088  2.458557       6.010248  
1 1 1 5   82  6  o 112.243 3.1312  6852.70    380.665  6860.90    545.102  6844.91    531.826  112.050 4.4915  111.943 4.3863  0.1073990      6.278039  
1 1 1 5   82  7  o 185.622 3.7545  18784.31   754.833  18618.56   1070.64  18948.13   1064.37  184.164 5.3675  185.824 5.2884  -1.659485      7.535021  
1 1 1 5   82  8  o 152.600 3.4114  12685.12   563.842  12666.53   801.745  12703.31   793.110  152.028 4.8690  152.270 4.8089  -0.2426453     6.843479  
1 1 1 5   82  9  o 173.228 3.6389  16367.33   682.747  16121.65   970.748  16607.80   960.434  171.273 5.2330  173.900 5.0991  -2.627380      7.306522  
1 1 1 5   82  10 o 137.836 3.2858  10352.90   490.545  10319.01   705.371  10384.63   682.658  137.149 4.7485  137.647 4.5790  -0.4973297     6.596577  
1 1 1 5   82  11 o 65.402  2.7577  2327.48    195.347  2254.41    232.769  2501.52    359.242  64.207  3.3588  67.271  4.9656  -3.063728      5.994862  
1 1 1 5   82  12 o 92.598  3.0113  4671.81    302.013  4419.85    411.898  4964.75    444.144  89.801  4.2348  95.156  4.3094  -5.354530      6.041946  
1 1 1 5   82  13 o 103.974 3.3002  5900.18    371.651  5531.28    549.024  6212.20    504.928  100.019 5.0848  106.374 4.3825  -6.355103      6.712794  
1 1 1 5   82  14 o 94.640  3.9479  4912.26    404.676  5056.47    530.451  4711.47    625.924  95.469  5.1490  91.579  6.3496  3.890488       8.174902  
1 1 1 5   82  15 o 57.908  7.3726  1935.51    451.929  0.0000     0.0000   1935.51    451.929  ?       ?       57.908  7.3726  0.000000       7.372612  
1 1 1 5   82  16 o 62.024  4.7618  2150.19    317.452  0.0000     0.0000   2150.19    317.452  ?       ?       62.024  4.7618  0.000000       4.761820  
1 1 1 5   82  17 o 90.664  4.4208  4574.56    434.110  0.0000     0.0000   4574.56    434.110  ?       ?       90.664  4.4208  0.000000       4.420751  
1 1 1 5   82  18 o 49.212  5.0257  1374.80    264.121  0.0000     0.0000   1374.80    264.121  ?       ?       49.212  5.0257  0.000000       5.025684  
1 1 1 5   82  19 o 50.783  4.9965  1468.07    271.264  0.0000     0.0000   1468.07    271.264  ?       ?       50.783  4.9965  0.000000       4.996499  
1 1 1 5   82  20 o 35.830  7.3127  786.690    274.182  0.0000     0.0000   786.690    274.182  ?       ?       35.830  7.3127  0.000000       7.312679  
1 1 1 5   82  21 o 17.066  7.5630  -25.9559   277.488  0.0000     0.0000   -25.9559   277.488  ?       ?       17.066  7.5630  0.000000       7.563012  
1 1 1 5   82  22 o 28.443  9.4855  533.142    342.561  0.0000     0.0000   533.142    342.561  ?       ?       28.443  9.4855  0.000000       9.485499  
1 1 1 5   83  0  o 90.728  2.8207  4472.07    277.181  4503.00    392.216  4441.21    391.772  90.897  3.9839  90.268  4.0071  0.6291656      5.650488  
1 1 1 5   83  1  o 37.960  3.4943  790.747    142.053  705.538    202.294  873.636    199.521  35.489  5.4360  39.712  4.7319  -4.223103      7.206970  
1 1 1 5   83  2  o 65.247  2.9227  2313.57    206.543  2190.38    308.167  2414.05    278.303  63.172  4.5341  66.448  3.8838  -3.275928      5.970058  
1 1 1 5   83  3  f 28.861  5.1850  469.704    156.124  172.941    238.936  690.803    206.239  20.600  7.8003  35.061  5.6209  -14.46103      9.614496  
1 1 1 5   83  4  o 43.251  3.8269  1027.35    177.421  1099.70    271.812  973.638    234.191  44.380  5.7930  41.827  5.2876  2.553074       7.843304  
1 1 1 5   83  5  f 81.564  3.1096  3618.61    274.704  4009.18    408.236  3295.41    371.358  85.550  4.4208  77.536  4.4405  8.014061       6.265908  
1 1 1 5   83  6  o 104.142 3.1219  5900.69    352.137  5632.79    508.076  6148.33    488.496  101.472 4.6229  106.096 4.2510  -4.624382      6.280297  
1 1 1 5   83  7  o 33.455  5.4261  630.153    189.880  722.011    276.265  547.907    261.411  35.395  7.4424  30.753  7.8280  4.641396       10.80128  
1 1 1 5   83  8  o 61.179  3.4592  2046.35    228.281  1861.62    340.031  2197.94    308.014  57.919  5.4857  63.204  4.5294  -5.284412      7.113973  
1 1 1 5   83  9  o 44.080  4.5442  1075.43    213.843  1174.94    317.331  992.653    289.429  45.578  6.6219  41.827  6.6082  3.750763       9.355118  
1 1 1 5   83  10 o 57.986  3.9190  1846.18    244.690  1811.28    372.051  1872.78    324.825  56.873  6.1371  58.101  5.2173  -1.228260      8.055062  
1 1 1 5   83  11 o 81.479  3.3420  3621.51    294.932  3160.68    443.014  3988.32    395.252  75.480  5.4557  85.200  4.2970  -9.720222      6.944723  
1 1 1 5   83  12 o 3.2987  1.6636  -90.3538   27.802   22.523     351.967  -91.0625   27.889   20.714  8.8512  3.2977  1.6635  17.41672       9.006202  
1 1 1 5   83  13 o 47.713  4.4942  1262.59    229.513  1223.04    394.515  1282.81    282.179  45.727  8.2700  47.806  5.5531  -2.078678      9.961432  
1 1 1 5   83  14 o 39.412  5.1331  874.170    213.916  799.846    370.810  911.243    261.888  36.371  9.3587  39.901  6.2663  -3.530643      11.26284  
1 1 1 5   83  15 o 65.322  2.8447  2330.89    201.263  2104.18    549.547  2366.00    216.290  59.428  8.8040  65.773  3.0361  -6.344452      9.312853  
1 1 1 5   83  16 o 73.976  4.3486  3046.35    346.894  0.0000     0.0000   3046.35    346.894  ?       ?       73.976  4.3486  0.000000       4.348598  
1 1 1 5   83  17 o 21.153  7.9334  218.326    245.842  0.0000     0.0000   218.326    245.842  ?       ?       21.153  7.9334  0.000000       7.933351  
1 1 1 5   83  18 f 28.732  8.8894  512.580    304.865  0.0000     0.0000   512.580    304.865  ?       ?       28.732  8.8894  0.000000       8.889414  
1 1 1 5   83  19 o 16.461  7.5057  -126.4605  296.081  0.0000     0.0000   -126.4605  296.081  ?       ?       16.461  7.5057  0.000000       7.505746  
1 1 1 5   83  20 o 22.543  8.4676  271.326    280.280  0.0000     0.0000   271.326    280.280  ?       ?       22.543  8.4676  0.000000       8.467607  
1 1 1 5   83  21 o 29.182  8.6765  552.494    294.396  0.0000     0.0000   552.494    294.396  ?       ?       29.182  8.6765  0.000000       8.676454  
1 1 1 5   83  22 o 21.118  8.4913  198.206    297.394  0.0000     0.0000   198.206    297.394  ?       ?       21.118  8.4913  0.000000       8.491296  
1 1 1 5   84  0  o 31.679  4.0700  556.144    136.417  572.538    210.228  544.221    179.289  31.701  6.3441  31.048  5.5344  0.6534595      8.418905  
1 1 1 5   84  1  o 85.049  2.8768  3931.29    265.003  3929.69    387.664  3932.69    363.083  84.857  4.2179  84.930  3.9471  -0.7278442E-01 5.776667  
1 1 1 5   84  2  o 14.857  5.9637  58.424     146.415  -46.1816   221.542  139.545    195.094  15.639  6.8503  18.607  7.0477  -2.967392      9.828364  
1 1 1 5   84  3  o 67.678  3.1685  2491.75    232.262  2618.17    358.534  2400.33    304.884  69.005  4.8275  66.168  4.2771  2.837021       6.449673  
1 1 1 5   84  4  o 102.632 3.0669  5729.27    340.918  5943.52    486.900  5523.22    477.499  104.312 4.3096  100.541 4.3849  3.770996       6.148139  
1 1 1 5   84  5  o 150.672 3.3712  12362.10   550.166  12787.44   788.964  11959.51   767.580  152.824 4.7665  147.784 4.7954  5.039948       6.761287  
1 1 1 5   84  6  o 238.963 4.4494  31236.73   1151.61  32198.72   1633.57  30286.29   1623.73  241.446 6.2466  234.048 6.4053  7.397461       8.946957  
1 1 1 5   84  7  o 27.086  6.3879  421.749    184.358  295.530    267.868  535.342    254.118  24.052  8.3790  30.388  7.7089  -6.335699      11.38568  
1 1 1 5   84  8  o 91.048  3.1282  4513.96    308.481  4678.92    443.561  4359.43    429.305  92.443  4.4300  89.229  4.4421  3.214630       6.273588  
1 1 1 5   84  9  o 116.772 3.2012  7430.10    404.883  7148.01    580.536  7697.27    564.964  114.131 4.6963  118.530 4.4007  -4.398659      6.435932  
1 1 1 5   84  10 o 107.917 3.2178  6348.75    376.116  6030.33    549.142  6630.13    516.203  104.742 4.8405  109.989 4.3331  -5.246956      6.496672  
1 1 1 5   84  11 f 54.007  4.2297  1607.97    245.441  1625.49    368.771  1594.03    328.860  53.683  6.4730  53.367  5.7819  0.3154793      8.679237  
1 1 1 5   84  12 o 67.916  3.7201  2530.80    272.609  2268.86    419.784  2721.82    358.487  63.563  6.1755  70.160  4.7455  -6.596870      7.788186  
1 1 1 5   84  13 o 19.742  7.3356  177.020    209.233  116.374    344.890  212.340    263.201  21.846  9.0088  21.784  8.2010  0.6281090E-01  12.18260  
1 1 1 5   84  14 o 18.325  7.1829  124.228    207.606  449.023    352.067  -48.9156   257.053  28.149  9.6154  16.628  7.3283  11.52065       12.08968  
1 1 1 5   84  15 o 59.284  2.6111  1918.89    167.660  1178.91    526.205  2002.50    176.878  42.744  11.223  60.545  2.6973  -17.80096      11.54243  
1 1 1 5   84  16 o 46.956  4.4064  1236.17    221.484  763.430    494.999  1354.50    247.659  34.390  11.399  49.051  4.7199  -14.66115      12.33767  
1 1 1 5   84  17 o 38.395  5.1960  843.521    210.529  287.757    475.364  979.128    234.813  26.138  10.654  41.340  5.3712  -15.20150      11.93104  
1 1 1 5   84  18 o 18.347  7.7013  72.561     258.590  0.0000     0.0000   72.561     258.590  ?       ?       18.347  7.7013  0.000000       7.701313  
1 1 1 5   84  19 o 46.362  6.0890  1259.41    298.365  0.0000     0.0000   1259.41    298.365  ?       ?       46.362  6.0890  0.000000       6.088958  
1 1 1 5   84  20 o 65.822  5.5160  2503.53    389.616  0.0000     0.0000   2503.53    389.616  ?       ?       65.822  5.5160  0.000000       5.515967  
1 1 1 5   84  21 o 44.430  6.9506  1198.75    323.516  0.0000     0.0000   1198.75    323.516  ?       ?       44.430  6.9506  0.000000       6.950556  
1 1 1 5   85  0  o 38.702  3.8684  824.660    159.985  939.905    247.671  742.141    209.576  40.974  5.7382  36.380  5.4896  4.593884       7.941196  
1 1 1 5   85  1  o 43.585  3.6834  1042.42    172.251  1349.72    263.932  814.408    227.343  49.395  5.0023  38.099  5.6832  11.29654       7.571115  
1 1 1 5   85  2  o 54.765  2.3575  1628.46    139.840  1506.64    164.101  1951.52    267.237  52.563  2.8936  59.646  4.1627  -7.082478      5.069616  
1 1 1 5   85  3  o 126.925 3.1767  8766.91    436.712  8685.93    624.705  8844.31    610.740  126.010 4.5772  127.193 4.4333  -1.183075      6.372162  
1 1 1 5   85  4  o 96.347  3.0719  5050.72    320.569  5406.29    473.528  4749.88    435.555  99.437  4.3967  93.222  4.3138  6.215256       6.159507  
1 1 1 5   85  5  o 75.544  3.1682  3106.58    259.233  3052.22    390.992  3149.22    346.286  74.466  4.8746  75.793  4.2352  -1.326836      6.457477  
1 1 1 5   85  6  o 142.212 3.3651  11018.81   518.334  10969.26   735.792  11067.62   730.309  141.452 4.8026  142.105 4.7449  -0.6534882     6.751228  
1 1 1 5   85  7  o 84.876  3.1457  3923.04    289.189  3883.84    415.041  3960.04    403.167  84.072  4.5751  84.942  4.3973  -0.8696518     6.345694  
1 1 1 5   85  8  o 120.800 3.1296  7948.88    409.467  7511.75    577.258  8391.56    580.906  117.052 4.5533  123.788 4.3327  -6.736610      6.285237  
1 1 1 5   85  9  o 135.682 3.2906  10037.60   483.585  9671.16    694.913  10381.68   673.381  132.663 4.8363  137.577 4.5190  -4.913437      6.618996  
1 1 1 5   85  10 o 119.307 3.2562  7762.19    420.769  7716.50    611.658  7803.23    579.740  118.489 4.7661  119.252 4.4885  -0.7631302     6.546896  
1 1 1 5   85  11 o 131.976 3.3422  9507.92    477.747  9369.48    686.953  9637.59    664.861  130.435 4.8625  132.388 4.6367  -1.953018      6.718893  
1 1 1 5   85  12 f 47.494  4.7743  1255.66    242.272  1026.32    379.488  1413.44    314.767  41.611  8.7001  50.072  5.9184  -8.461067      10.52230  
1 1 1 5   85  13 o 80.805  3.4763  3575.80    304.247  3504.23    463.060  3630.17    403.586  79.190  5.4316  80.949  4.6223  -1.758347      7.132185  
1 1 1 5   85  14 o 33.065  1.7846  595.872    63.673   600.463    65.860   530.165    249.168  33.185  1.8395  29.776  7.6769  3.409643       7.894207  
1 1 1 5   85  15 o 87.032  3.2792  4160.20    309.112  4002.19    658.154  4204.92    350.132  82.751  7.4221  87.331  3.7016  -4.579887      8.293950  
1 1 1 5   85  16 o 65.549  3.4882  2373.51    246.756  1819.44    557.633  2508.42    275.163  53.755  9.9440  67.273  3.7919  -13.51797      10.64243  
1 1 1 5   85  17 o 56.720  3.9001  1791.02    238.142  1777.03    528.116  1794.59    266.808  53.171  9.5200  56.573  4.3886  -3.402679      10.48283  
1 1 1 5   85  18 f 22.241  7.4938  284.868    213.811  0.0000     0.0000   284.868    213.811  ?       ?       22.241  7.4938  0.000000       7.493760  
1 1 1 5   85  19 o 35.879  7.9532  803.598    300.952  0.0000     0.0000   803.598    300.952  ?       ?       35.879  7.9532  0.000000       7.953230  
1 1 1 5   85  20 o 47.676  6.3633  1350.81    320.384  0.0000     0.0000   1350.81    320.384  ?       ?       47.676  6.3633  0.000000       6.363289  
1 1 1 5   85  21 o 20.639  8.0635  203.153    260.985  0.0000     0.0000   203.153    260.985  ?       ?       20.639  8.0635  0.000000       8.063525  
1 1 1 5   86  0  o 90.887  2.8602  4491.40    281.559  4510.27    402.643  4473.34    393.871  90.888  4.0902  90.528  4.0170  0.3597870      5.732868  
1 1 1 5   86  1  o 75.987  3.1043  3141.83    255.488  3178.70    362.698  3105.52    359.947  76.123  4.4181  75.234  4.4369  0.8885498      6.261419  
1 1 1 5   86  2  o 96.547  3.0478  5071.40    318.708  4822.00    457.412  5306.72    444.315  93.887  4.4981  98.564  4.1620  -4.676979      6.128225  
1 1 1 5   86  3  o 88.529  3.1314  4265.59    300.261  4273.52    435.150  4258.37    414.844  88.251  4.5682  88.253  4.3400  -0.2372742E-02 6.301059  
1 1 1 5   86  4  o 89.086  3.0969  4319.48    298.820  4543.28    444.588  4135.07    403.573  91.111  4.5052  86.966  4.2845  4.145790       6.217248  
1 1 1 5   86  5  f 68.641  3.3509  2567.05    249.124  2521.59    371.789  2604.08    335.611  67.575  5.1177  68.820  4.5278  -1.244743      6.833115  
1 1 1 5   86  6  o 83.857  3.1977  3830.33    290.435  4213.10    426.435  3499.15    396.656  87.586  4.5105  79.774  4.6104  7.811874       6.449810  
1 1 1 5   86  7  o 98.979  3.0566  5335.02    327.683  5237.12    478.775  5421.29    449.441  97.745  4.5224  99.539  4.1688  -1.793976      6.150691  
1 1 1 5   86  8  o 77.311  3.2573  3258.19    272.755  3032.23    394.155  3465.81    377.832  74.111  4.9386  79.402  4.4107  -5.290833      6.621519  
1 1 1 5   86  9  o 84.999  3.2810  3939.85    302.057  3978.10    446.880  3907.67    409.862  84.923  4.8789  84.279  4.5064  0.6445465      6.641626  
1 1 1 5   86  10 o 23.937  7.1815  325.860    201.016  328.379    306.212  323.952    266.471  25.273  8.9466  24.597  8.3655  0.6752110      12.24836  
1 1 1 5   86  11 o 54.272  4.1198  1625.04    240.361  1741.36    383.509  1549.79    308.460  55.459  6.5083  52.617  5.4936  2.842525       8.516884  
1 1 1 5   86  12 o 60.989  4.0184  2051.60    263.955  1686.19    431.102  2270.74    333.850  54.002  7.5793  63.916  4.8588  -9.914585      9.002996  
1 1 1 5   86  13 o 105.642 3.3570  6115.23    384.112  6164.73    581.677  6076.96    511.498  105.267 5.1018  104.822 4.5053  0.4451141      6.806297  
1 1 1 5   86  14 o 107.075 3.1871  6287.15    369.622  6303.21    580.218  6276.19    479.511  106.222 5.0432  106.518 4.1563  -0.2959824     6.535182  
1 1 1 5   86  15 o 21.026  7.4653  233.906    213.356  446.601    457.036  174.639    241.257  28.573  10.796  20.120  7.7827  8.453497       13.30845  
1 1 1 5   86  16 o 18.985  2.2686  199.393    45.725   189.292    46.764   419.211    218.153  18.468  2.3942  26.363  7.3591  -7.895243      7.738795  
1 1 1 5   86  17 o 23.186  7.0387  319.445    192.266  -146.0336  461.920  416.988    211.454  20.599  9.3857  26.227  7.2169  -5.628065      11.83955  
1 1 1 5   86  18 o 54.592  6.0151  1733.88    349.762  0.0000     0.0000   1733.88    349.762  ?       ?       54.592  6.0151  0.000000       6.015060  
1 1 1 5   86  19 o 43.311  7.4460  1146.28    336.704  0.0000     0.0000   1146.28    336.704  ?       ?       43.311  7.4460  0.000000       7.445958  
1 1 1 5   86  20 f 12.926  6.2526  -372.7219  267.484  0.0000     0.0000   -372.7219  267.484  ?       ?       12.926  6.2526  0.000000       6.252584  
1 1 1 5   87  0  o 32.593  5.6359  600.590    191.758  524.166    270.525  677.766    271.853  30.092  8.1147  34.247  7.5336  -4.155727      11.07262  
1 1 1 5   87  1  f 70.370  3.1890  2695.87    243.061  2528.30    359.742  2836.61    329.701  67.728  4.9381  71.915  4.2517  -4.187561      6.516231  
1 1 1 5   87  2  o 43.990  3.9982  1065.24    188.417  1163.93    267.259  967.717    265.671  45.683  5.5129  41.454  6.0994  4.228821       8.221605  
1 1 1 5   87  3  o 25.807  1.8354  363.154    50.969   361.832    52.218   389.801    234.407  25.755  1.8850  26.176  7.7324  -0.4211674     7.958805  
1 1 1 5   87  4  o 37.556  1.6129  764.952    65.611   786.882    68.174   489.706    241.524  38.090  1.6525  29.077  7.5884  9.012297       7.766208  
1 1 1 5   87  5  o 83.712  3.2408  3818.00    293.839  3918.41    423.311  3724.63    408.202  84.415  4.6478  82.309  4.5972  2.106308       6.537303  
1 1 1 5   87  6  o 182.969 3.7549  18282.34   744.131  18488.94   1059.13  18080.93   1045.72  183.222 5.3371  181.194 5.3284  2.028030       7.541656  
1 1 1 5   87  7  f 109.289 3.1248  6507.25    369.886  6443.86    529.026  6567.88    517.364  108.405 4.5056  109.486 4.3628  -1.080475      6.271763  
1 1 1 5   87  8  o 57.900  3.7369  1839.16    233.098  1699.31    339.791  1963.47    320.366  55.150  5.7741  59.535  5.0150  -4.384907      7.647848  
1 1 1 5   87  9  o 66.666  3.6221  2435.62    260.554  2406.70    392.860  2458.34    348.138  65.743  5.5696  66.667  4.8548  -0.9236755     7.388414  
1 1 1 5   87  10 o 67.662  2.6007  2492.08    190.593  2524.17    227.209  2415.88    350.119  68.026  3.0838  66.009  4.9328  2.016869       5.817385  
1 1 1 5   87  11 o 38.143  2.3368  794.491    96.075   779.398    101.173  933.028    306.528  37.756  2.4880  40.045  7.3376  -2.289108      7.747956  
1 1 1 5   87  12 o 63.257  4.0840  2211.84    278.315  2349.30    438.713  2119.26    360.040  64.288  6.3850  61.422  5.4692  2.865707       8.407162  
1 1 1 5   87  13 o 14.243  6.4318  -93.0663   211.077  -279.9572  368.260  -1.6266    257.589  17.262  8.0464  17.304  7.4850  -0.4292870E-01 10.98957  
1 1 1 5   87  14 o 56.852  3.7866  1790.92    231.829  1985.01    415.425  1703.13    279.378  58.536  6.6715  55.087  4.7282  3.449066       8.177129  
1 1 1 5   87  15 o 32.347  7.1997  628.194    245.749  226.459    478.692  771.964    286.366  25.473  10.568  35.754  7.6273  -10.28179      13.03293  
1 1 1 5   87  16 o 46.669  4.2603  1221.47    212.973  1225.15    504.550  1220.68    234.928  43.085  10.826  46.469  4.7338  -3.384007      11.81529  
1 1 1 5   87  17 o 60.973  4.1265  2079.30    270.912  0.0000     0.0000   2079.30    270.912  ?       ?       60.973  4.1265  0.000000       4.126504  
1 1 1 5   87  18 f 33.608  8.0198  706.437    287.862  0.0000     0.0000   706.437    287.862  ?       ?       33.608  8.0198  0.000000       8.019850  
1 1 1 5   87  19 o 44.442  6.7099  1184.17    312.921  0.0000     0.0000   1184.17    312.921  ?       ?       44.442  6.7099  0.000000       6.709859  
1 1 1 5   87  20 o 22.072  8.4809  250.180    285.046  0.0000     0.0000   250.180    285.046  ?       ?       22.072  8.4809  0.000000       8.480854  
1 1 1 5   88  0  o 81.255  3.1368  3594.83    276.060  3746.14    413.314  3472.97    370.930  82.560  4.6410  79.562  4.3207  2.997940       6.340873  
1 1 1 5   88  1  o 80.437  3.0692  3522.09    267.389  3210.85    378.533  3832.04    377.758  76.423  4.5944  83.719  4.1660  -7.296417      6.201958  
1 1 1 5   88  2  o 44.621  4.1191  1097.46    196.827  995.928    290.631  1183.49    267.516  41.899  6.6245  46.057  5.4696  -4.158020      8.590697  
1 1 1 5   88  3  o 44.974  4.3360  1117.01    208.594  1295.78    309.474  968.178    282.378  48.053  6.0823  41.316  6.5270  6.737431       8.921627  
1 1 1 5   88  4  o 20.764  6.8664  230.063    179.643  447.496    293.062  99.184     227.369  28.094  8.7195  18.542  7.4356  9.552261       11.45939  
1 1 1 5   88  5  o 135.772 3.2485  10046.05   477.713  9898.32    679.832  10190.15   671.423  134.321 4.6729  136.333 4.5470  -2.012405      6.520069  
1 1 1 5   88  6  o 35.798  5.3967  721.216    202.747  594.224    308.975  817.247    268.683  31.863  8.7057  37.779  6.8171  -5.916103      11.05726  
1 1 1 5   88  7  o 79.981  3.2292  3487.39    279.735  3470.02    402.820  3503.57    388.764  79.352  4.7079  79.791  4.5170  -0.4386597     6.524370  
1 1 1 5   88  8  o 41.173  4.7429  943.963    207.639  952.185    305.864  936.934    282.784  40.664  7.2084  40.491  6.6811  0.1737633      9.828470  
1 1 1 5   88  9  o 47.466  4.5082  1249.33    228.988  1078.86    352.817  1373.41    300.998  43.060  7.8543  49.449  5.7259  -6.389008      9.719891  
1 1 1 5   88  10 o 59.742  3.8519  1964.69    247.919  1885.02    370.651  2029.20    333.504  57.849  6.0030  60.340  5.1524  -2.491058      7.910907  
1 1 1 5   88  11 o 20.624  7.4148  212.014    211.111  189.693    320.668  229.090    280.467  22.450  8.8865  22.404  8.4588  0.4573250E-01  12.26870  
1 1 1 5   88  12 f 15.421  6.8081  -46.6966   222.789  36.801     370.736  -93.8934   278.731  21.026  9.0368  16.640  7.4631  4.386099       11.72014  
1 1 1 5   88  13 o 57.585  2.6594  1811.92    165.866  1559.89    416.459  1859.44    180.827  51.320  7.7324  58.294  2.8640  -6.974190      8.245711  
1 1 1 5   88  14 o 52.683  4.4509  1553.28    251.598  1361.21    410.328  1669.00    318.495  47.474  8.2812  54.173  5.5046  -6.698914      9.943749  
1 1 1 5   88  15 o 7.7969  2.8749  26.332     32.015   24.154     32.308   144.656    238.129  7.6755  2.8765  19.344  7.6577  -11.66856      8.180119  
1 1 1 5   88  16 o 23.478  7.1648  327.677    198.839  346.183    470.410  323.652    219.403  26.795  10.713  23.464  7.5784  3.331381       13.12240  
1 1 1 5   88  17 o 32.518  7.9979  658.258    279.738  0.0000     0.0000   658.258    279.738  ?       ?       32.518  7.9979  0.000000       7.997915  
1 1 1 5   88  18 o 39.016  7.2870  927.732    296.612  0.0000     0.0000   927.732    296.612  ?       ?       39.016  7.2870  0.000000       7.286973  
1 1 1 5   88  19 o 18.237  7.8016  53.099     274.013  0.0000     0.0000   53.099     274.013  ?       ?       18.237  7.8016  0.000000       7.801597  
1 1 1 5   89  0  f 64.526  3.3884  2275.81    235.983  2243.05    340.203  2306.20    327.614  63.723  4.9684  64.682  4.7087  -0.9592781     6.845205  
1 1 1 5   89  1  o 21.756  6.6562  264.128    171.472  119.952    261.409  373.014    227.174  19.956  7.9833  25.615  7.6231  -5.659220      11.03829  
1 1 1 5   89  2  f 64.148  3.2526  2247.86    225.249  2283.15    321.519  2213.85    315.663  64.366  4.6430  63.380  4.6304  0.9864998      6.557316  
1 1 1 5   89  3  o 80.984  3.1447  3572.48    275.838  3772.54    407.494  3403.29    374.748  82.835  4.5595  78.702  4.4141  4.132858       6.346066  
1 1 1 5   89  4  o 85.518  3.1579  3984.23    292.503  4000.29    436.710  3971.15    393.915  85.244  4.7488  85.059  4.2895  0.1845398      6.399343  
1 1 1 5   89  5  f 92.346  3.1528  4646.62    315.342  4957.61    461.051  4373.26    432.261  95.092  4.4765  89.201  4.4884  5.890762       6.339149  
1 1 1 5   89  6  o 71.708  3.3733  2805.34    261.999  2970.30    388.662  2667.94    354.707  73.326  4.9223  69.528  4.7384  3.797722       6.832440  
1 1 1 5   89  7  o 50.711  4.0131  1416.74    218.617  1159.28    318.093  1647.22    300.960  45.120  6.7135  54.416  5.1684  -9.295769      8.472496  
1 1 1 5   89  8  o 19.663  6.7816  199.306    175.259  -38.1868   239.757  471.828    256.830  16.313  7.1364  28.422  8.0030  -12.10912      10.72267  
1 1 1 5   89  9  o 78.147  3.3923  3338.89    287.132  3791.76    431.940  2980.33    384.346  82.740  4.8410  73.314  4.8679  9.426529       6.865261  
1 1 1 5   89  10 o 82.726  3.3363  3745.37    298.932  3721.03    440.384  3766.17    407.085  81.786  4.9954  82.457  4.5761  -0.6712036     6.774551  
1 1 1 5   89  11 o 15.067  6.4925  -3.3409    192.331  72.483     316.052  -47.9342   242.376  20.217  8.5014  16.105  7.1060  4.111612       11.08014  
1 1 1 5   89  12 o 21.647  1.9685  257.038    45.648   536.367    358.813  252.443    46.022   29.815  9.6967  21.445  2.0046  8.370049       9.901732  
1 1 1 5   89  13 o 25.320  7.7926  379.229    234.628  443.891    371.359  336.268    302.696  27.822  9.8521  24.825  8.8836  2.996429       13.26581  
1 1 1 5   89  14 o 56.831  4.1378  1799.61    252.948  1704.07    439.350  1846.98    309.364  53.445  7.8213  57.195  5.0457  -3.749386      9.307609  
1 1 1 5   89  15 o 41.985  5.8949  1020.62    260.680  478.228    504.139  1218.56    304.555  29.292  11.273  45.731  6.3175  -16.43861      12.92235  
1 1 1 5   89  16 o 25.113  7.2012  381.565    206.023  0.0000     0.0000   381.565    206.023  ?       ?       25.113  7.2012  0.000000       7.201208  
1 1 1 5   89  17 o 45.305  5.4533  1184.58    262.219  0.0000     0.0000   1184.58    262.219  ?       ?       45.305  5.4533  0.000000       5.453286  
1 1 1 5   89  18 o 14.087  6.6950  -286.3243  277.899  0.0000     0.0000   -286.3243  277.899  ?       ?       14.087  6.6950  0.000000       6.695030  
1 1 1 5   89  19 f 26.717  9.1194  445.480    316.676  0.0000     0.0000   445.480    316.676  ?       ?       26.717  9.1194  0.000000       9.119371  
1 1 1 5   90  0  o 41.280  2.1090  927.631    93.978   903.441    101.184  1079.54    253.562  40.716  2.3039  43.948  5.4433  -3.232311      5.910826  
1 1 1 5   90  1  o 71.321  3.1888  2771.32    246.326  2657.46    348.740  2884.69    347.976  69.453  4.6630  72.426  4.4576  -2.972717      6.450851  
1 1 1 5   90  2  o 31.311  5.3296  554.267    174.270  489.514    279.922  595.249    222.691  29.097  8.4086  32.178  6.6107  -3.081556      10.69609  
1 1 1 5   90  3  o 55.579  3.7988  1695.38    227.308  1647.37    333.323  1737.12    310.783  54.318  5.7533  55.947  5.1877  -1.629021      7.746784  
1 1 1 5   90  4  o 53.001  3.7325  1542.22    212.902  1416.09    317.942  1644.76    286.659  50.242  5.9588  54.481  4.9107  -4.239040      7.721540  
1 1 1 5   90  5  o 30.379  6.2122  530.229    197.507  567.449    303.636  502.930    260.037  31.112  8.6812  29.360  7.9720  1.751625       11.78622  
1 1 1 5   90  6  o 46.082  4.3970  1175.93    216.798  1066.07    328.086  1261.08    288.845  43.032  7.3002  47.382  5.7458  -4.350632      9.290189  
1 1 1 5   90  7  o ?       ?       -134.1260  30.639   -139.9230  30.872   246.926    250.294  ?       ?       22.387  8.0709  0.000000       8.070883  
1 1 1 5   90  8  f 103.616 3.1796  5863.57    356.838  5563.09    513.255  6144.70    496.456  100.419 4.7189  105.689 4.3369  -5.269608      6.409158  
1 1 1 5   90  9  o 106.943 3.2465  6255.30    376.040  6449.00    551.818  6087.35    513.815  107.996 4.7176  105.014 4.5174  2.982002       6.531633  
1 1 1 5   90  10 f 18.409  6.9321  149.893    188.070  114.257    313.072  170.014    235.248  20.848  8.5884  20.055  7.7048  0.7924480      11.53802  
1 1 1 5   90  11 o 28.679  7.1050  489.761    219.564  408.535    332.828  552.347    292.152  26.856  9.3407  30.169  8.5499  -3.313051      12.66297  
1 1 1 5   90  12 o 85.921  3.5048  4060.01    326.155  3942.90    488.353  4154.31    438.216  83.632  5.4205  86.267  4.7078  -2.634727      7.179475  
1 1 1 5   90  13 o 72.027  3.7344  2869.41    290.334  3070.13    457.760  2734.32    375.532  73.453  5.8011  69.731  5.0056  3.722282       7.662101  
1 1 1 5   90  14 o 31.315  6.9868  587.968    230.953  822.404    404.362  474.463    281.361  35.791  10.029  27.888  8.5253  7.902719       13.16306  
1 1 1 5   90  15 o 37.151  6.1828  809.489    240.043  173.998    497.769  1002.06    274.009  24.851  10.570  41.352  6.3183  -16.50148      12.31449  
1 1 1 5   90  16 o 16.432  6.8027  66.019     197.742  0.0000     0.0000   66.019     197.742  ?       ?       16.432  6.8027  0.000000       6.802741  
1 1 1 5   90  17 o 34.983  7.7646  758.896    286.524  0.0000     0.0000   758.896    286.524  ?       ?       34.983  7.7646  0.000000       7.764601  
1 1 1 5   90  18 o 24.562  8.3447  362.699    265.149  0.0000     0.0000   362.699    265.149  ?       ?       24.562  8.3447  0.000000       8.344736  
1 1 1 5   91  0  o 29.861  5.8527  509.500    182.525  410.883    296.265  569.830    231.725  27.156  8.8100  31.371  6.9979  -4.214142      11.25108  
1 1 1 5   91  1  o 98.355  3.0164  5269.33    321.335  5127.98    460.417  5403.57    448.681  96.713  4.3954  99.339  4.1701  -2.625282      6.058812  
1 1 1 5   91  2  o 77.469  3.1174  3270.71    261.576  3046.06    376.415  3480.50    363.759  74.323  4.7002  79.595  4.2347  -5.272659      6.326505  
1 1 1 5   91  3  o 92.704  3.0937  4684.02    310.633  5070.66    456.037  4349.36    424.282  96.147  4.3792  89.041  4.3994  7.105881       6.207443  
1 1 1 5   91  4  o 48.503  4.2560  1299.60    221.325  1374.82    335.036  1241.36    294.809  49.302  6.4270  46.962  5.9280  2.340076       8.743369  
1 1 1 5   91  5  o 46.250  4.3931  1184.85    217.427  921.865    329.464  1387.76    289.393  39.726  7.9347  49.806  5.4538  -10.07922      9.628245  
1 1 1 5   91  6  o 48.497  4.2631  1301.35    221.658  1292.52    334.568  1308.26    295.921  47.619  6.6699  48.206  5.7832  -0.5869980     8.827965  
1 1 1 5   91  7  o 76.409  3.3491  3192.37    277.166  3503.69    409.794  2929.87    376.290  79.520  4.7802  72.683  4.8070  6.836327       6.779180  
1 1 1 5   91  8  o 76.026  3.3452  3163.49    275.456  3409.23    401.662  2945.31    378.478  78.370  4.7544  72.795  4.8277  5.574722       6.775794  
1 1 1 5   91  9  o 24.305  7.3398  343.180    209.472  455.155    333.121  269.946    269.400  28.052  9.3538  23.047  8.3633  5.005165       12.54749  
1 1 1 5   91  10 o 57.190  4.0130  1813.01    247.001  1812.04    373.263  1813.77    329.450  56.283  6.2275  56.666  5.4345  -0.3831406     8.265277  
1 1 1 5   91  11 o 18.173  7.2135  117.328    211.829  -89.3912   327.134  266.588    277.976  18.116  8.1078  22.971  8.4710  -4.855526      11.72583  
1 1 1 5   91  12 o 59.361  4.2192  1961.61    269.504  1642.79    414.240  2195.60    354.881  52.797  7.4510  62.339  5.3065  -9.541607      9.147424  
1 1 1 5   91  13 o 32.427  7.2434  632.094    247.986  924.778    404.431  455.748    313.926  38.151  9.7507  27.564  9.0751  10.58705       13.32037  
1 1 1 5   91  14 o 54.124  2.4489  1600.72    143.557  1598.59    161.883  1608.54    310.624  53.949  2.7799  53.069  5.4831  0.8799591      6.147541  
1 1 1 5   91  15 o 22.263  7.9320  272.158    241.071  159.321    479.589  310.307    278.861  24.290  10.354  23.653  8.5201  0.6363602      13.40905  
1 1 1 5   91  16 o 46.644  6.0753  1270.97    299.643  0.0000     0.0000   1270.97    299.643  ?       ?       46.644  6.0753  0.000000       6.075317  
1 1 1 5   91  17 o 68.117  4.9834  2640.60    365.114  0.0000     0.0000   2640.60    365.114  ?       ?       68.117  4.9834  0.000000       4.983442  
1 1 1 5   91  18 o 74.764  5.0042  3183.55    402.888  0.0000     0.0000   3183.55    402.888  ?       ?       74.764  5.0042  0.000000       5.004212  
1 1 1 5   92  0  o 57.394  2.5493  1791.89    158.470  1673.63    180.177  2195.88    333.021  55.337  3.0175  62.970  4.9219  -7.633129      5.773271  
1 1 1 5   92  1  o 31.162  5.7949  554.330    188.390  592.733    278.123  521.772    256.087  31.772  8.0673  29.865  7.8234  1.907160       11.23769  
1 1 1 5   92  2  o 18.702  6.7921  164.367    177.735  467.424    276.216  -49.7788   232.189  28.391  8.3956  15.870  6.9806  12.52136       10.91856  
1 1 1 5   92  3  o 116.376 3.1053  7386.56    391.411  7350.77    545.623  7424.50    561.809  115.701 4.3540  116.239 4.4624  -0.5384445     6.234564  
1 1 1 5   92  4  o 33.788  5.5692  648.434    196.707  663.021    314.428  639.054    252.144  33.423  8.6270  33.094  7.2361  0.3293228      11.25996  
1 1 1 5   92  5  o 95.125  3.2309  4942.67    332.883  5258.05    478.619  4647.16    463.291  97.713  4.5224  91.695  4.6804  6.017860       6.508347  
1 1 1 5   92  6  o 49.474  4.2361  1356.13    224.805  1320.18    340.011  1384.05    299.647  48.008  6.7234  49.548  5.6865  -1.540829      8.805758  
1 1 1 5   92  7  o 28.364  6.5148  470.476    195.929  634.910    289.244  331.049    266.343  32.581  8.2021  24.550  8.3634  8.031254       11.71410  
1 1 1 5   92  8  o 26.887  6.8637  426.378    200.562  256.987    299.551  564.015    270.018  23.270  8.7513  30.670  8.0330  -7.399286      11.87917  
1 1 1 5   92  9  o 16.112  6.6492  56.411     188.070  -174.9195  326.998  170.756    229.899  17.137  7.8421  19.897  7.6232  -2.760410      10.93672  
1 1 1 5   92  10 o 22.120  7.4338  271.717    210.396  110.514    324.423  388.730    276.403  20.949  8.6964  25.894  8.5150  -4.944902      12.17094  
1 1 1 5   92  11 o 22.057  7.5370  268.080    216.318  333.988    332.879  219.903    284.601  25.190  9.2728  22.053  8.4741  3.136484       12.56166  
1 1 1 5   92  12 o 28.667  7.5176  496.406    236.292  488.549    383.103  501.230    300.194  28.739  10.020  28.681  8.8124  0.5776215E-01  13.34382  
1 1 1 5   92  13 o 23.283  7.9470  307.234    240.487  609.940    390.483  122.259    305.245  31.178  10.114  20.509  8.4680  10.66874       13.19118  
1 1 1 5   92  14 o 18.032  7.3881  94.627     230.106  238.258    382.195  12.962     288.192  23.863  9.6153  18.224  7.8999  5.639179       12.44437  
1 1 1 5   92  15 f 30.756  7.8909  586.207    264.154  0.0000     0.0000   586.207    264.154  ?       ?       30.756  7.8909  0.000000       7.890856  
1 1 1 5   92  16 o 26.719  7.8916  441.738    244.178  0.0000     0.0000   441.738    244.178  ?       ?       26.719  7.8916  0.000000       7.891622  
1 1 1 5   92  17 o 15.220  6.8287  -66.6368   233.592  0.0000     0.0000   -66.6368   233.592  ?       ?       15.220  6.8287  0.000000       6.828697  
1 1 1 5   93  0  f 64.728  3.3344  2294.32    232.973  2454.43    345.399  2160.68    315.565  66.562  4.8237  62.468  4.6984  4.094406       6.733751  
1 1 1 5   93  1  f 52.499  3.5914  1514.46    202.985  1754.24    296.584  1303.18    278.407  56.182  4.9236  48.221  5.4248  7.961159       7.326010  
1 1 1 5   93  2  o 89.839  3.1416  4405.61    305.697  4380.91    449.299  4426.90    417.131  89.046  4.6749  89.750  4.2911  -0.7043304     6.345716  
1 1 1 5   93  3  o 68.483  3.3634  2563.93    249.480  2654.64    373.593  2490.92    335.163  69.115  5.0251  67.065  4.6427  2.049316       6.841469  
1 1 1 5   93  4  o 43.469  4.3440  1050.07    201.783  1200.43    302.879  930.071    270.574  45.921  6.2520  40.274  6.4183  5.647259       8.960017  
1 1 1 5   93  5  o 50.733  4.1649  1425.48    226.841  1424.06    344.293  1426.57    301.543  49.927  6.5228  50.300  5.6316  -0.3733673     8.617487  
1 1 1 5   93  6  o 36.498  5.4733  757.940    209.695  722.711    320.488  784.311    277.287  34.622  8.5881  36.535  7.2630  -1.913116      11.24750  
1 1 1 5   93  7  o 25.296  6.9352  376.609    195.686  79.417     288.796  628.891    266.082  19.616  8.1790  32.447  7.6889  -12.83162      11.22571  
1 1 1 5   93  8  o 77.797  3.3444  3319.96    281.807  3491.96    411.144  3167.56    387.020  79.111  4.8213  75.359  4.7662  3.751808       6.779455  
1 1 1 5   93  9  o 47.300  4.6564  1253.84    235.456  1371.76    367.263  1171.55    306.803  48.418  7.2244  45.010  6.4801  3.407421       9.704806  
1 1 1 5   93  10 o 54.701  4.2143  1665.41    247.756  1521.83    374.022  1777.66    330.720  51.120  6.9341  55.997  5.5249  -4.876362      8.866043  
1 1 1 5   93  11 o 121.526 3.3398  8116.63    439.598  7990.32    636.251  8232.00    608.078  119.564 4.9131  121.579 4.6177  -2.015488      6.742572  
1 1 1 5   93  12 o 56.120  4.4954  1764.30    270.951  1706.25    430.544  1802.37    348.651  53.572  7.6362  56.109  5.8218  -2.536358      9.602308  
1 1 1 5   93  13 f 39.284  5.8059  894.171    239.589  726.187    405.057  984.571    297.143  33.558  10.223  40.700  6.9927  -7.141472      12.38565  
1 1 1 5   93  14 f 5.1599  2.3639  -20.9303   29.826   23.012     483.819  -21.0980   29.883   22.775  10.045  5.1601  2.3648  17.61469       10.31938  
1 1 1 5   93  15 o 24.749  9.7213  303.849    380.979  0.0000     0.0000   303.849    380.979  ?       ?       24.749  9.7213  0.000000       9.721253  
1 1 1 5   93  16 o 22.891  8.2607  291.480    262.297  0.0000     0.0000   291.480    262.297  ?       ?       22.891  8.2607  0.000000       8.260685  
1 1 1 5   94  0  o 41.123  2.1303  921.927    94.558   934.439    100.532  825.934    278.461  41.386  2.2512  37.686  7.0820  3.700024       7.431196  
1 1 1 5   94  1  o 65.132  3.4488  2327.92    242.428  2506.69    352.257  2167.05    334.149  67.162  4.8757  62.385  4.9869  4.777103       6.974356  
1 1 1 5   94  2  o 88.204  2.8593  4244.64    273.162  3965.43    363.384  4607.40    414.206  84.969  3.9485  91.512  4.1789  -6.543121      5.749296  
1 1 1 5   94  3  o 149.360 3.3939  12213.09   549.034  11929.80   784.994  12484.39   768.183  146.734 4.9393  150.253 4.7203  -3.519287      6.832142  
1 1 1 5   94  4  o 117.199 3.1939  7513.87    405.425  7921.73    588.528  7145.51    559.303  119.727 4.5384  113.708 4.5413  6.018433       6.420366  
1 1 1 5   94  5  o 43.880  4.6577  1077.61    217.984  1063.74    332.739  1088.03    288.521  42.558  7.4922  43.531  6.3028  -0.9728928     9.790751  
1 1 1 5   94  6  o 44.523  4.6381  1109.95    220.381  1108.19    335.806  1111.29    292.080  43.442  7.4023  43.955  6.3166  -0.5132103     9.731121  
1 1 1 5   94  7  o 75.850  3.3714  3156.35    276.973  3114.35    401.626  3194.43    382.474  74.617  4.9984  75.719  4.6867  -1.101608      6.851929  
1 1 1 5   94  8  o 44.298  4.8380  1103.85    228.350  1294.92    354.556  968.414    298.501  47.046  7.1861  40.629  7.0383  6.416889       10.05871  
1 1 1 5   94  9  o 31.947  6.5780  600.756    220.032  1003.76    350.883  339.582    282.471  40.790  8.2260  24.726  8.6048  16.06451       11.90420  
1 1 1 5   94  10 o 37.625  5.7509  815.448    226.920  951.873    349.414  715.941    298.414  39.518  8.4211  34.282  8.1555  5.236183       11.72291  
1 1 1 5   94  11 o 17.177  7.1201  66.643     217.024  192.660    336.145  -23.4314   284.193  22.456  9.0282  17.674  7.7496  4.782310       11.89814  
1 1 1 5   94  12 o 78.903  3.7137  3440.36    317.370  3571.93    493.745  3347.73    414.294  79.084  5.8048  77.073  4.9897  2.011436       7.654590  
1 1 1 5   94  13 o 50.890  1.7452  1409.21    96.191   1020.83    137.629  1780.11    134.495  43.021  2.9719  57.121  2.1739  -14.10027      3.682111  
1 1 1 5   94  14 o 47.771  5.7152  1318.49    289.837  1081.24    776.408  1356.91    312.422  38.310  14.151  48.259  6.1142  -9.949375      15.41570  
1 1 1 5   94  15 o 18.673  8.2342  -17.1768   324.960  0.0000     0.0000   -17.1768   324.960  ?       ?       18.673  8.2342  0.000000       8.234166  
1 1 1 5   94  16 o 52.079  5.2587  1554.29    292.560  0.0000     0.0000   1554.29    292.560  ?       ?       52.079  5.2587  0.000000       5.258659  
1 1 1 5   95  0  o 29.300  5.9902  497.460    183.682  484.213    291.814  506.152    236.387  28.612  8.6682  29.231  7.4458  -0.6182079     11.42706  
1 1 1 5   95  1  o 24.372  6.3270  346.833    168.481  275.162    250.046  406.430    228.012  22.905  8.0871  26.299  7.5858  -3.393822      11.08810  
1 1 1 5   95  2  o 97.665  3.1011  5216.56    328.043  5310.89    486.484  5137.91    444.234  97.977  4.5843  96.512  4.2497  1.465286       6.251069  
1 1 1 5   95  3  o 63.174  3.5445  2196.60    241.549  1981.15    363.892  2366.31    322.964  59.210  5.7466  65.224  4.6012  -6.014778      7.361688  
1 1 1 5   95  4  o 72.118  2.7347  2839.50    213.613  2730.26    265.187  3041.35    360.487  70.544  3.4707  73.995  4.5196  -3.451012      5.698489  
1 1 1 5   95  5  o 53.554  4.0657  1590.46    234.070  1417.12    355.410  1723.25    311.057  49.499  6.8096  55.337  5.2528  -5.837856      8.600166  
1 1 1 5   95  6  o 105.773 3.2254  6130.50    369.519  5982.88    537.771  6262.55    508.605  103.767 4.7849  106.365 4.4148  -2.598244      6.510397  
1 1 1 5   95  7  o 75.144  3.3828  3099.03    275.318  3468.82    400.766  2768.54    378.872  78.881  4.7123  70.310  5.0079  8.571701       6.876426  
1 1 1 5   95  8  o 48.919  4.5028  1338.42    235.901  1594.68    363.952  1152.75    309.784  52.571  6.5327  44.553  6.6210  8.018314       9.301325  
1 1 1 5   95  9  o 51.854  4.3162  1500.72    240.212  1735.83    363.098  1317.74    320.329  54.966  6.2078  47.747  6.3517  7.218979       8.881532  
1 1 1 5   95  10 o 41.296  5.3141  972.462    232.172  847.076    356.211  1065.07    306.131  36.921  8.9913  42.573  6.8732  -5.651760      11.31744  
1 1 1 5   95  11 o 75.387  2.8551  3114.02    233.122  2729.79    458.303  3248.14    270.768  68.869  6.2109  76.860  3.2526  -7.990425      7.011033  
1 1 1 5   95  12 o 44.550  5.4493  1137.72    257.459  1077.32    417.255  1174.84    327.165  41.157  9.5454  44.512  7.0186  -3.354942      11.84802  
1 1 1 5   95  13 o 35.107  7.6829  754.032    284.022  836.463    656.817  735.073    314.996  35.137  13.009  34.260  8.5235  0.8767509      15.55230  
1 1 1 5   95  14 o 89.795  5.5602  4610.63    538.109  4660.36    913.156  4584.18    666.039  85.416  10.064  88.162  7.0336  -2.745361      12.27786  
1 1 1 5   95  15 o 26.026  10.405  332.496    443.820  0.0000     0.0000   332.496    443.820  ?       ?       26.026  10.405  0.000000       10.40546  
1 1 1 5   96  0  o 22.764  1.5541  282.663    38.089   284.122    38.524   219.085    254.229  22.822  1.5680  21.589  8.0732  1.232895       8.224119  
1 1 1 5   96  1  o 30.186  6.0522  529.374    190.984  361.114    261.724  721.014    279.317  25.178  8.2861  34.813  7.6193  -9.634439      11.25670  
1 1 1 5   96  2  o 55.887  3.6971  1723.88    222.526  1683.31    326.293  1759.15    304.260  54.569  5.6001  56.003  5.0711  -1.434242      7.554888  
1 1 1 5   96  3  o 54.701  3.7116  1652.19    218.602  1598.22    320.137  1699.34    299.222  53.133  5.6496  55.028  5.0776  -1.895515      7.596059  
1 1 1 5   96  4  o 44.982  4.5649  1131.89    219.324  1227.48    331.018  1057.08    292.823  45.997  6.8536  42.757  6.5302  3.240116       9.466556  
1 1 1 5   96  5  o 44.611  4.6810  1115.86    222.811  1194.24    342.226  1058.19    293.550  45.163  7.2409  42.751  6.5483  2.412048       9.762712  
1 1 1 5   96  6  o 80.191  3.3615  3528.80    291.962  3712.70    433.240  3375.79    395.175  81.505  4.9309  77.812  4.7111  3.693024       6.819720  
1 1 1 5   96  7  o 27.623  7.0092  454.111    210.046  737.875    323.702  247.735    276.056  34.723  8.6416  22.533  8.4154  12.18991       12.06214  
1 1 1 5   96  8  o 83.740  2.9221  3838.92    265.033  3529.02    341.268  4309.89    420.703  79.937  3.9417  88.013  4.4274  -8.076805      5.927763  
1 1 1 5   96  9  o 78.986  3.4545  3432.50    295.535  3193.86    437.658  3632.52    400.684  75.167  5.4119  80.644  4.6064  -5.477028      7.106913  
1 1 1 5   96  10 o 55.003  4.3172  1691.10    255.126  1391.82    384.280  1926.98    341.161  48.318  7.5933  58.202  5.4763  -9.883186      9.362081  
1 1 1 5   96  11 o 46.859  2.1311  1197.21    108.161  1231.52    114.892  929.923    320.716  47.510  2.2327  39.129  7.8406  8.380993       8.152294  
1 1 1 5   96  12 o 52.201  4.8211  1541.18    269.501  1536.36    432.560  1544.24    344.546  50.191  8.2432  51.499  6.3089  -1.307888      10.38045  
1 1 1 5   96  13 o 25.117  8.9621  362.220    307.855  -522.0289  648.459  619.507    349.787  21.422  10.195  31.142  9.5027  -9.719187      13.93679  
1 1 1 5   96  14 o 65.808  6.5405  2533.78    460.011  2042.40    840.400  2743.99    549.667  51.748  14.444  67.622  7.6387  -15.87474      16.33927  
1 1 1 5   97  0  o 80.304  3.2522  3533.04    282.869  3488.11    408.290  3574.51    392.265  79.128  4.7865  80.220  4.5332  -1.091797      6.592445  
1 1 1 5   97  1  o 53.081  3.7482  1556.92    214.103  1261.40    326.996  1778.68    283.266  46.736  6.6471  56.451  4.6750  -9.714863      8.126472  
1 1 1 5   97  2  o 46.321  4.3009  1195.45    213.314  1102.65    329.593  1262.34    279.824  43.374  7.2734  47.172  5.5853  -3.798306      9.170460  
1 1 1 5   97  3  o 96.123  3.1536  5060.04    328.329  4893.74    488.781  5196.77    443.212  93.717  4.8318  96.988  4.2191  -3.271446      6.414583  
1 1 1 5   97  4  o 102.226 3.1622  5724.77    350.122  5790.17    515.057  5668.60    477.382  102.128 4.6563  101.205 4.3551  0.9225998      6.375552  
1 1 1 5   97  5  o 19.431  7.1717  180.543    199.321  183.010    312.344  178.848    258.886  21.960  8.7458  20.719  8.0487  1.241762       11.88575  
1 1 1 5   97  6  o 92.927  3.2576  4737.80    327.878  4867.33    482.636  4626.79    446.811  93.378  4.7882  91.287  4.5190  2.091110       6.583924  
1 1 1 5   97  7  f 102.082 3.2192  5717.71    355.935  5391.72    511.998  6022.61    495.161  98.347  4.8066  104.190 4.3878  -5.842552      6.508180  
1 1 1 5   97  8  o 67.330  3.6713  2506.02    266.718  2170.82    394.241  2788.94    362.188  61.614  5.9830  70.557  4.7674  -8.942905      7.650125  
1 1 1 5   97  9  o 19.021  7.2693  159.974    208.721  156.026    325.838  162.721    271.806  21.592  8.8127  20.533  8.1645  1.058594       12.01345  
1 1 1 5   97  10 o 20.480  7.2748  222.214    202.628  31.525     338.724  328.482    252.862  19.888  8.5930  23.949  8.1490  -4.060434      11.84255  
1 1 1 5   97  11 o 65.123  3.9446  2359.71    276.918  2537.27    419.565  2222.67    368.608  66.477  5.8881  62.413  5.5094  4.064220       8.063704  
1 1 1 5   97  12 o 46.448  6.2628  1260.03    307.040  1528.10    763.907  1208.38    335.318  45.137  14.089  45.015  7.1138  0.1223259      15.78312  
1 1 1 5   97  13 o 38.925  9.0501  960.159    374.323  937.266    679.449  970.135    448.528  36.535  13.278  38.261  10.504  -1.725750      16.93044  
1 1 1 5   98  0  o 37.002  1.4199  743.167    56.906   764.569    58.253   296.307    266.179  37.530  1.4331  23.559  8.3411  13.97136       8.463346  
1 1 1 5   98  1  o 13.760  6.0724  -40.3366   177.087  -94.6867   241.119  23.312     260.931  15.341  6.9058  17.833  7.6205  -2.491642      10.28405  
1 1 1 5   98  2  o 26.492  6.5483  413.908    186.822  423.792    277.664  405.733    252.534  26.840  8.5104  26.241  8.0859  0.5989723      11.73924  
1 1 1 5   98  3  o 13.299  5.9374  -59.1785   174.299  -155.5399  264.360  14.923     231.824  15.332  7.0292  16.752  7.1715  -1.419750      10.04187  
1 1 1 5   98  4  o 50.811  4.0911  1435.06    223.236  1371.79    324.260  1492.06    307.791  48.838  6.2752  51.240  5.6393  -2.401714      8.436853  
1 1 1 5   98  5  o 69.511  3.5668  2664.43    267.633  3095.67    402.522  2322.73    358.306  74.298  5.0316  64.240  5.1941  10.05848       7.231607  
1 1 1 5   98  6  o 21.859  7.3324  266.425    204.694  491.484    322.001  113.801    265.168  28.588  9.1754  19.498  7.9532  9.089817       12.14253  
1 1 1 5   98  7  o 12.757  5.8172  -99.1900   177.910  -40.8805   290.172  -134.3128  225.206  17.618  7.7742  14.143  6.4854  3.474388       10.12416  
1 1 1 5   98  8  o 38.773  5.4696  862.256    223.316  793.009    338.020  915.891    297.483  35.748  8.7913  39.202  7.2740  -3.454803      11.41042  
1 1 1 5   98  9  o 15.739  6.7606  10.457     207.273  -177.6424  325.828  138.320    268.638  16.912  7.7719  19.946  8.0526  -3.033358      11.19142  
1 1 1 5   98  10 o 33.065  6.6609  650.572    230.300  559.418    354.918  716.865    302.671  29.946  9.6353  34.041  8.2869  -4.095434      12.70872  
1 1 1 5   98  11 f 15.661  6.8470  -16.6814   220.395  -192.0332  348.411  100.292    284.564  17.332  7.9912  19.546  8.1319  -2.214586      11.40116  
1 1 1 5   98  12 o 78.316  5.7082  3510.51    480.863  3529.82    854.104  3501.55    581.838  73.477  11.076  77.157  7.0399  -3.679146      13.12411  
1 1 1 5   99  0  o 13.245  5.8435  -37.4191   163.850  142.309    244.271  -184.4282  220.921  19.595  7.7562  13.379  6.2352  6.216305       9.951715  
1 1 1 5   99  1  o 20.734  7.0115  234.730    187.186  400.016    283.609  107.152    249.166  26.243  8.6250  18.997  7.7246  7.246294       11.57846  
1 1 1 5   99  2  o 44.416  4.7261  1108.47    223.869  876.623    330.714  1304.56    304.149  38.072  8.2577  47.722  6.0181  -9.650005      10.21797  
1 1 1 5   99  3  o 23.057  7.0753  308.734    193.584  275.073    308.558  330.584    248.595  23.659  8.8850  24.141  8.0806  -0.4818077     12.00995  
1 1 1 5   99  4  o 13.514  6.1071  -86.4002   190.733  2.6215     296.008  -149.6014  249.413  18.473  8.0071  14.856  6.8170  3.616526       10.51595  
1 1 1 5   99  5  o 17.689  1.7654  171.813    33.372   174.802    33.609   -38.0168   281.592  17.844  1.7620  17.419  7.6739  0.4252434      7.873558  
1 1 1 5   99  6  o 15.224  6.5849  -4.4571    199.343  -187.2212  314.529  118.241    257.711  16.524  7.6093  19.355  7.8616  -2.831007      10.94105  
1 1 1 5   99  7  o 44.168  4.7566  1100.82    223.958  1052.94    332.180  1140.73    303.243  41.944  7.5914  44.221  6.5276  -2.276604      10.01197  
1 1 1 5   99  8  o 59.579  3.9753  1974.09    255.055  1868.12    381.284  2059.92    343.130  56.846  6.2986  60.258  5.3118  -3.412292      8.239335  
1 1 1 5   99  9  f 53.775  4.0487  1612.77    234.080  1394.84    332.755  1826.27    329.349  48.918  6.4367  56.607  5.4387  -7.688793      8.426777  
1 1 1 5   99  10 o 46.495  2.1058  1178.78    106.048  1222.99    372.364  1174.87    110.630  44.889  7.9497  46.404  2.2011  -1.514946      8.248836  
1 1 1 5   99  11 o 34.786  6.9432  724.864    252.434  1023.41    564.272  650.166    282.253  38.542  12.122  32.440  8.0671  6.102268       14.56072  
1 1 1 5   100 0  o 55.060  3.8983  1680.77    230.973  1829.58    337.699  1549.97    316.611  56.797  5.5608  52.181  5.6945  4.616604       7.959239  
1 1 1 5   100 1  o 70.770  3.3309  2750.18    255.316  2726.62    385.497  2768.58    340.768  69.633  5.1479  70.480  4.4873  -0.8476715     6.829092  
1 1 1 5   100 2  o 47.477  4.0321  1254.36    205.379  1086.54    313.696  1380.26    271.709  43.031  6.9689  49.414  5.1525  -6.383259      8.666837  
1 1 1 5   100 3  o 50.754  3.8903  1430.11    212.233  1606.58    328.933  1304.24    277.792  53.043  5.8211  47.892  5.4526  5.151775       7.975931  
1 1 1 5   100 4  o 61.819  3.5526  2110.54    236.872  1823.08    351.906  2348.68    320.295  56.510  5.8335  64.813  4.5924  -8.303104      7.424254  
1 1 1 5   100 5  o 37.220  5.2689  791.749    206.475  559.086    334.896  934.417    262.247  30.135  9.3159  40.100  6.2411  -9.965000      11.21325  
1 1 1 5   100 6  o 33.230  6.2381  647.639    216.272  896.273    336.825  473.225    282.107  38.252  8.3631  27.918  8.5369  10.33371       11.95072  
1 1 1 5   100 7  o 70.360  2.7772  2710.54    211.644  2680.08    256.879  2774.93    373.448  69.774  3.3991  70.211  4.9423  -0.4369812     5.998363  
1 1 1 5   100 8  o 90.413  3.3963  4502.92    332.589  4603.39    497.643  4421.81    447.109  90.333  5.1072  88.824  4.6637  1.509277       6.916208  
1 1 1 5   100 9  o 16.234  6.9366  22.155     216.171  85.330     356.454  -14.5966   271.872  21.046  8.9480  17.367  7.5983  3.679022       11.73881  
1 1 1 5   100 10 o 45.652  5.8551  1204.00    282.842  1602.64    562.611  1069.18    327.195  49.484  10.800  42.204  7.4293  7.280144       13.10895  
1 1 1 5   101 0  o 46.565  4.2055  1210.28    209.814  729.896    319.837  1573.18    277.989  34.459  8.5975  52.869  4.9107  -18.40981      9.901176  
1 1 1 5   101 1  o 18.058  6.8087  146.636    181.558  56.781     264.781  226.375    249.430  18.432  7.7677  21.508  8.0058  -3.076000      11.15481  
1 1 1 5   101 2  o 4.5398  2.1901  -50.5182   32.274   -55.7189   32.505   312.490    271.565  4.4403  2.1554  23.875  8.4281  -19.43484      8.699360  
1 1 1 5   101 3  o 31.369  6.3540  579.150    208.480  972.122    325.298  305.232    271.588  40.239  7.7450  23.688  8.4213  16.55066       11.44131  
1 1 1 5   101 4  o 37.594  5.4729  810.991    216.305  546.030    328.928  1012.88    287.120  29.800  9.2358  41.612  6.5900  -11.81198      11.34583  
1 1 1 5   101 5  o 13.491  6.1386  -101.3510  196.733  -113.9605  305.811  -92.4479   256.965  17.090  7.7274  15.821  7.1249  1.269014       10.51080  
1 1 1 5   101 6  o 45.438  2.2561  1126.25    111.029  1132.84    119.100  1082.47    306.833  45.482  2.4265  42.869  6.8380  2.612686       7.255775  
1 1 1 5   101 7  f 18.606  7.1658  149.301    203.831  212.395    307.467  99.831     272.256  22.180  8.7264  19.300  7.9855  2.879570       11.82869  
1 1 1 5   101 8  o 69.675  3.7208  2690.03    279.779  2557.55    419.263  2796.38    375.654  66.833  5.8509  70.435  4.9557  -3.601845      7.667590  
1 1 1 5   101 9  o 51.232  4.6363  1478.17    254.481  1582.29    401.583  1408.31    328.964  51.574  7.4012  49.208  6.3182  2.366325       9.731206  
1 1 1 5   102 0  o 19.124  7.0249  178.633    190.904  188.180    257.343  166.950    284.679  20.781  8.0381  20.937  8.3460  -0.1561871     11.58740  
1 1 1 5   102 1  o 26.315  6.6302  411.907    188.890  242.615    308.188  513.764    239.053  22.884  8.8119  29.168  7.5191  -6.283405      11.58390  
1 1 1 5   102 2  o 16.854  6.7993  87.987     191.371  313.448    301.732  -63.7423   247.525  24.252  8.8433  15.926  7.0955  8.326791       11.33800  
1 1 1 5   102 3  o 33.091  5.9205  637.727    204.403  654.053    302.191  623.958    277.520  32.570  8.4824  31.958  8.0281  0.6119690      11.67912  
1 1 1 5   102 4  o 20.167  7.2655  209.663    202.792  -160.4657  313.480  476.026    265.932  16.756  7.6717  27.967  8.2287  -11.21099      11.25019  
1 1 1 5   102 5  o 40.527  2.6254  901.892    114.624  820.642    123.509  1406.40    307.766  38.572  2.9794  49.466  5.8582  -10.89364      6.572355  
1 1 1 5   102 6  o 29.914  6.8217  535.118    216.124  669.799    332.264  436.343    284.546  32.711  9.0649  26.933  8.6233  5.777847       12.51129  
1 1 1 5   102 7  o 21.234  7.3653  246.884    206.872  -24.4712   312.731  458.009    275.849  18.426  8.1033  27.450  8.4497  -9.023321      11.70731  
1 1 1 5   102 8  o 48.261  4.7023  1313.51    242.672  1264.80    371.120  1349.89    320.744  45.866  7.7464  48.202  6.2939  -2.335716      9.980989  
1 1 1 5   103 0  o 90.296  3.1728  4477.30    310.301  4606.62    455.483  4365.31    423.883  90.768  4.6487  88.588  4.4178  2.179985       6.413042  
1 1 1 5   103 1  o 66.781  3.6010  2465.55    259.500  2348.13    367.536  2582.27    366.444  64.398  5.3169  67.701  5.0334  -3.302879      7.321521  
1 1 1 5   103 2  o 25.442  6.5867  385.301    182.929  301.913    285.613  443.299    238.195  23.748  8.6123  27.089  7.7351  -3.341715      11.57597  
1 1 1 5   103 3  o 20.816  7.1423  237.536    194.274  124.385    318.242  304.752    245.282  20.883  8.6364  23.307  8.0236  -2.423727      11.78837  
1 1 1 5   103 4  o 23.297  7.3674  316.826    208.195  15.752     320.876  535.727    273.605  19.251  8.3405  29.574  8.2367  -10.32276      11.72204  
1 1 1 5   103 5  o 35.433  5.9212  729.926    219.227  819.465    334.812  662.727    290.051  36.384  8.6272  32.850  8.1826  3.533577       11.89044  
1 1 1 5   103 6  o 68.524  3.7687  2602.09    278.634  2460.07    425.227  2708.95    368.854  65.454  6.0671  69.362  4.9421  -3.907700      7.825248  
1 1 1 5   104 0  f 17.915  6.9629  129.788    193.818  250.018    287.674  29.847     262.282  22.659  8.5640  17.861  7.6366  4.797607       11.47431  
1 1 1 5   104 1  o 16.737  6.6172  100.890    177.604  -200.3977  280.789  301.814    229.301  15.279  7.0900  23.069  7.7605  -7.789260      10.51162  
1 1 1 5   104 2  o 19.520  7.1555  188.606    197.919  150.350    308.560  215.349    257.981  21.124  8.5936  21.361  8.1012  -0.2375851     11.81012  
1 1 1 5   104 3  o 39.743  5.1893  900.614    218.046  868.746    315.809  929.645    301.422  37.829  7.9598  39.474  7.3195  -1.644855      10.81358  
1 1 1 5   104 4  o 51.797  4.1288  1496.41    229.705  1542.20    361.503  1465.41    297.480  51.450  6.6423  50.691  5.5068  0.7591743      8.628136  
1 1 1 6   0   0  o 494.998 16.689  133697.50  8924.52  133697.50  8924.52  133697.50  8924.52  494.998 16.689  494.998 16.689  0.000000       0.000000  
1 1 1 6   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   0   2  o 12.090  5.1827  112.701    69.415   112.701    69.415   112.701    69.415   12.090  5.1827  12.090  5.1827  0.000000       0.000000  
1 1 1 6   0   3  o 240.136 6.2199  31313.29   1615.30  31313.29   1615.30  31313.29   1615.30  240.136 6.2199  240.136 6.2199  0.000000       0.000000  
1 1 1 6   0   4  o 51.450  3.2345  1450.72    178.612  1450.72    178.612  1450.72    178.612  51.450  3.2345  51.450  3.2345  0.000000       0.000000  
1 1 1 6   0   5  o 230.438 6.0357  28832.42   1504.12  28832.42   1504.12  28832.42   1504.12  230.438 6.0357  230.438 6.0357  0.000000       0.000000  
1 1 1 6   0   6  o 528.442 12.489  151761.80  7139.01  151761.80  7139.01  151761.80  7139.01  528.442 12.489  528.442 12.489  0.000000       0.000000  
1 1 1 6   0   7  o 297.457 7.4110  48030.19   2384.32  48030.19   2384.32  48030.19   2384.32  297.457 7.4110  297.457 7.4110  0.000000       0.000000  
1 1 1 6   0   8  o 652.884 21.723  232462.50  15322.37 232462.50  15322.37 232462.50  15322.37 652.884 21.723  652.884 21.723  0.000000       0.000000  
1 1 1 6   0   9  o 29.805  3.9758  506.210    121.950  506.210    121.950  506.210    121.950  29.805  3.9758  29.805  3.9758  0.000000       0.000000  
1 1 1 6   0   10 o 35.472  3.9281  706.242    146.189  706.242    146.189  706.242    146.189  35.472  3.9281  35.472  3.9281  0.000000       0.000000  
1 1 1 6   0   11 o 103.871 3.8625  5867.90    433.174  5867.90    433.174  5867.90    433.174  103.871 3.8625  103.871 3.8625  0.000000       0.000000  
1 1 1 6   0   12 o 374.069 9.0319  75978.59   3654.49  75978.59   3654.49  75978.59   3654.49  374.069 9.0319  374.069 9.0319  0.000000       0.000000  
1 1 1 6   0   13 o 172.521 4.9536  16163.78   923.898  16163.78   923.898  16163.78   923.898  172.521 4.9536  172.521 4.9536  0.000000       0.000000  
1 1 1 6   0   14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   0   15 o 488.704 11.618  129951.60  6141.96  129951.60  6141.96  129951.60  6141.96  488.704 11.618  488.704 11.618  0.000000       0.000000  
1 1 1 6   0   16 o 201.601 6.3273  22100.00   1378.51  22100.00   1378.51  22100.00   1378.51  201.601 6.3273  201.601 6.3273  0.000000       0.000000  
1 1 1 6   0   17 o 104.370 3.9819  5927.98    448.637  5927.98    448.637  5927.98    448.637  104.370 3.9819  104.370 3.9819  0.000000       0.000000  
1 1 1 6   0   18 o 312.421 7.7752  53080.65   2627.32  53080.65   2627.32  53080.65   2627.32  312.421 7.7752  312.421 7.7752  0.000000       0.000000  
1 1 1 6   0   19 o 57.931  4.6847  1854.55    289.518  1854.55    289.518  1854.55    289.518  57.931  4.6847  57.931  4.6847  0.000000       0.000000  
1 1 1 6   0   20 o 37.651  6.7099  838.425    247.732  838.425    247.732  838.425    247.732  37.651  6.7099  37.651  6.7099  0.000000       0.000000  
1 1 1 6   0   21 o 160.053 4.8709  13930.59   842.622  13930.59   842.622  13930.59   842.622  160.053 4.8709  160.053 4.8709  0.000000       0.000000  
1 1 1 6   0   22 o 279.054 7.1031  42402.79   2143.71  42402.79   2143.71  42402.79   2143.71  279.054 7.1031  279.054 7.1031  0.000000       0.000000  
1 1 1 6   0   23 o 201.378 5.5836  22075.42   1215.75  22075.42   1215.75  22075.42   1215.75  201.378 5.5836  201.378 5.5836  0.000000       0.000000  
1 1 1 6   0   24 o 105.939 4.2895  6122.34    490.359  6122.34    490.359  6122.34    490.359  105.939 4.2895  105.939 4.2895  0.000000       0.000000  
1 1 1 6   0   25 o 114.339 4.3119  7134.54    532.266  7134.54    532.266  7134.54    532.266  114.339 4.3119  114.339 4.3119  0.000000       0.000000  
1 1 1 6   0   26 o 110.507 4.1995  6671.45    500.997  6671.45    500.997  6671.45    500.997  110.507 4.1995  110.507 4.1995  0.000000       0.000000  
1 1 1 6   0   27 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   0   28 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   0   29 o 47.206  7.9354  1336.53    371.283  1336.53    371.283  1336.53    371.283  47.206  7.9354  47.206  7.9354  0.000000       0.000000  
1 1 1 6   0   30 f 64.994  6.0007  2395.58    414.143  2395.58    414.143  2395.58    414.143  64.994  6.0007  64.994  6.0007  0.000000       0.000000  
1 1 1 6   0   31 o 33.642  11.414  841.796    372.546  841.796    372.546  841.796    372.546  33.642  11.414  33.642  11.414  0.000000       0.000000  
1 1 1 6   0   32 o 2.7241  1.9808  -72.0362   33.119   -72.0362   33.119   -72.0362   33.119   2.7241  1.9808  2.7241  1.9808  0.000000       0.000000  
1 1 1 6   0   33 o 6.3662  3.8014  24.313     46.376   24.313     46.376   24.313     46.376   6.3662  3.8014  6.3662  3.8014  0.000000       0.000000  
1 1 1 6   0   34 o 10.736  7.5854  -336.1524  357.422  -336.1524  357.422  -336.1524  357.422  10.736  7.5854  10.736  7.5854  0.000000       0.000000  
1 1 1 6   0   35 o 22.146  1.8844  273.310    44.446   273.310    44.446   273.310    44.446   22.146  1.8844  22.146  1.8844  0.000000       0.000000  
1 1 1 6   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   1   0  o 308.888 5.3900  51715.88   1803.28  50142.74   2550.17  53289.16   2550.27  304.012 7.7448  313.422 7.5125  -9.409882      10.78979  
1 1 1 6   1   1  o 331.197 6.6279  59486.98   2377.57  60491.89   4117.96  58984.48   2911.95  333.524 11.399  329.676 8.1550  3.848480       14.01615  
1 1 1 6   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   1   3  o 449.148 10.633  109695.00  5172.92  102944.90  7315.16  116446.80  7316.08  434.106 15.558  461.930 14.623  -27.82407      21.35145  
1 1 1 6   1   4  f 237.039 4.3339  30448.34   1112.68  30669.05   1573.51  30227.60   1573.63  237.820 6.1087  236.100 6.1537  1.720093       8.670919  
1 1 1 6   1   5  o 437.842 7.3718  103989.40  3495.92  104355.30  4943.98  103623.60  4943.97  438.253 10.416  436.708 10.452  1.544098       14.75586  
1 1 1 6   1   6  o 395.437 6.7183  84773.05   2877.46  83989.44   4069.38  85556.65   4069.31  393.390 9.5507  397.052 9.4625  -3.661163      13.44446  
1 1 1 6   1   7  o 346.570 5.9522  65088.60   2234.30  64555.20   3159.75  65622.02   3159.80  345.033 8.4551  347.876 8.3862  -2.842926      11.90872  
1 1 1 6   1   8  o 591.709 9.7757  189894.09  6265.07  186412.30  8860.13  193375.91  8860.16  585.800 13.964  596.674 13.710  -10.87427      19.56947  
1 1 1 6   1   9  o 153.335 3.2133  12734.92   533.665  13199.19   754.884  12271.06   754.548  156.093 4.4650  150.503 4.6288  5.589874       6.431374  
1 1 1 6   1   10 o 670.179 10.960  243736.70  7955.23  253568.91  11250.56 233905.09  11250.21 682.909 15.210  655.786 15.839  27.12335       21.95977  
1 1 1 6   1   11 o 736.752 12.125  294780.19  9675.42  291279.81  13683.06 298280.69  13683.17 731.312 17.275  740.098 17.070  -8.785706      24.28562  
1 1 1 6   1   12 o 237.640 4.3565  30595.72   1121.32  31498.61   1585.91  29693.11   1585.66  241.073 6.0738  234.057 6.2549  7.016891       8.718621  
1 1 1 6   1   13 o 178.405 3.8774  17243.87   749.238  16681.65   1056.20  17813.34   1062.99  175.434 5.5586  181.291 5.4136  -5.857117      7.759183  
1 1 1 6   1   14 o 235.236 6.9111  30017.88   1760.84  30017.88   1760.84  0.0000     0.0000   235.236 6.9111  ?       ?       0.000000       6.911096  
1 1 1 6   1   15 o 343.392 5.9136  63959.48   2199.43  58675.41   3109.91  69247.27   3111.01  328.595 8.7381  357.066 8.0442  -28.47055      11.87702  
1 1 1 6   1   16 o 236.446 4.9558  30318.20   1269.17  29837.40   1796.83  30796.91   1792.93  234.395 7.0776  238.146 6.9510  -3.750885      9.920177  
1 1 1 6   1   17 o 120.924 3.0371  7923.78    397.776  7769.15    562.457  8078.51    562.624  119.701 4.3383  122.064 4.2556  -2.362762      6.077106  
1 1 1 6   1   18 o 234.604 4.3293  29849.59   1100.08  27005.97   1554.89  32699.49   1556.61  222.954 6.4390  245.400 5.8564  -22.44666      8.703918  
1 1 1 6   1   19 o 328.688 5.7258  58675.13   2038.42  60920.99   2883.02  56430.11   2882.49  334.473 7.9583  321.838 8.2691  12.63486       11.47661  
1 1 1 6   1   20 o 79.251  2.6310  3403.63    225.837  3369.26    288.515  3458.02    362.890  78.832  3.3791  79.728  4.2174  -0.8956528     5.404103  
1 1 1 6   1   21 o 266.437 5.0410  38558.17   1454.72  38748.62   1922.92  38303.31   2224.43  266.801 6.6543  265.020 7.7494  1.780457       10.21438  
1 1 1 6   1   22 o 129.474 3.1560  9091.07    442.572  9045.58    625.598  9136.64    626.183  129.058 4.4755  129.707 4.4572  -0.6494751     6.316413  
1 1 1 6   1   23 o 166.033 3.5126  14962.98   631.675  14128.86   892.829  15798.95   893.818  161.132 5.1158  170.433 4.8420  -9.300201      7.043912  
1 1 1 6   1   24 o 95.241  3.0020  4923.95    309.670  4606.63    437.333  5243.03    438.548  91.997  4.3890  98.175  4.1242  -6.178070      6.022693  
1 1 1 6   1   25 o 71.775  3.2120  2800.62    249.700  2731.30    354.075  2869.21    352.191  70.582  4.6578  72.375  4.5153  -1.793770      6.487179  
1 1 1 6   1   26 o 41.810  1.6137  947.940    73.077   946.223    101.998  949.752    104.749  41.684  2.2677  41.756  2.3253  -0.7191467E-01 3.248041  
1 1 1 6   1   27 o 60.855  5.2244  2054.64    341.012  2762.78    500.779  1442.33    465.661  70.146  6.6717  49.686  8.9837  20.45972       11.19009  
1 1 1 6   1   28 o 91.411  4.9220  4626.70    485.519  5370.67    700.561  3939.11    673.495  97.637  6.6644  83.081  7.5674  14.55592       10.08369  
1 1 1 6   1   29 o 33.960  9.2573  701.495    349.843  1438.57    511.229  52.335     479.773  48.414  10.077  23.797  10.254  24.61747       14.37700  
1 1 1 6   1   30 o 37.643  1.6990  770.159    69.270   518.122    355.879  780.084    70.620   29.355  9.6623  37.883  1.7212  -8.527699      9.814433  
1 1 1 6   1   31 o 98.958  3.5222  5404.17    377.517  5451.31    534.131  5357.11    533.648  98.325  5.0324  97.437  5.0742  0.8872910      7.146466  
1 1 1 6   1   32 o 25.910  8.1632  418.688    255.782  340.715    361.079  497.226    362.386  24.858  9.5467  27.961  9.7455  -3.103237      13.64232  
1 1 1 6   1   33 o 66.976  4.2645  2571.54    307.743  2807.70    435.578  2336.18    434.851  68.259  5.9512  61.495  6.6338  6.763908       8.912012  
1 1 1 6   1   34 o 33.181  1.9833  606.780    70.951   616.901    72.211   324.319    381.490  33.452  2.0022  23.028  9.4829  10.42410       9.691928  
1 1 1 6   1   35 o 65.835  4.9883  2612.37    353.053  2612.64    565.420  2612.19    451.997  59.595  9.0437  63.381  6.6851  -3.785393      11.24632  
1 1 1 6   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   2   0  o 302.446 5.2857  49579.91   1731.51  49878.50   2448.81  49281.36   2448.64  303.228 7.4562  301.404 7.5008  1.823608       10.57619  
1 1 1 6   2   1  o 324.727 5.6237  57163.64   1977.91  55474.32   2797.11  58853.16   2797.27  319.719 8.0774  329.332 7.8421  -9.612762      11.25799  
1 1 1 6   2   2  o 182.015 3.5767  17949.07   705.109  17712.31   996.997  18186.01   997.354  180.770 5.0921  183.173 5.0271  -2.403366      7.155509  
1 1 1 6   2   3  o 110.249 2.7066  6584.28    323.205  6577.02    457.549  6591.50    456.614  110.174 3.8343  110.295 3.8223  -0.1213989     5.414036  
1 1 1 6   2   4  o 75.189  2.3932  3062.22    194.894  3263.61    275.473  2860.39    275.772  77.615  3.2769  72.661  3.5041  4.954689       4.797590  
1 1 1 6   2   5  o 245.137 4.4413  32562.21   1179.21  31872.61   1667.55  33251.98   1667.76  242.452 6.3502  247.649 6.2177  -5.196991      8.887285  
1 1 1 6   2   6  o 697.555 23.227  266848.09  17548.44 266848.09  17548.44 0.0000     0.0000   697.555 23.227  ?       ?       0.000000       23.22682  
1 1 1 6   2   7  o 505.199 8.4297  138397.41  4612.58  137492.20  6523.19  139302.59  6523.16  503.214 11.968  506.525 11.890  -3.310760      16.87064  
1 1 1 6   2   8  o 698.957 23.177  266813.91  17546.29 0.0000     0.0000   266813.91  17546.29 ?       ?       698.957 23.177  0.000000       23.17740  
1 1 1 6   2   9  o 619.428 10.246  208137.80  6874.08  209919.20  9721.50  206356.50  9721.32  621.559 14.440  616.244 14.565  5.314758       20.50996  
1 1 1 6   2   10 o 595.330 9.8276  192255.70  6336.90  192721.20  8961.74  191790.30  8961.73  595.555 13.893  594.110 13.927  1.445007       19.67175  
1 1 1 6   2   11 o 532.568 8.8330  153828.80  5095.14  153482.20  7205.58  154175.50  7205.64  531.570 12.515  532.773 12.487  -1.202698      17.67931  
1 1 1 6   2   12 o 548.664 10.517  163422.70  6250.12  159418.91  7654.56  171432.00  10826.22 541.546 13.050  560.671 17.828  -19.12494      22.09385  
1 1 1 6   2   13 o 349.334 6.9180  66176.39   2617.53  62772.89   4530.69  67881.53   3206.87  339.741 12.312  353.697 8.3711  -13.95560      14.88866  
1 1 1 6   2   14 o 246.142 6.3608  32857.48   1695.78  32857.48   1695.78  0.0000     0.0000   246.142 6.3608  ?       ?       0.000000       6.360812  
1 1 1 6   2   15 o 156.294 3.8518  13237.76   652.035  14865.00   1130.91  12427.49   798.028  165.528 6.3079  151.405 4.8664  14.12352       7.966936  
1 1 1 6   2   16 o 325.358 5.6680  57431.43   1997.40  57092.36   2824.70  57770.52   2824.79  324.098 8.0468  326.024 7.9996  -1.926147      11.34656  
1 1 1 6   2   17 o 195.850 3.8167  20792.40   809.624  20066.81   1144.69  21518.73   1145.27  192.303 5.4958  199.152 5.3095  -6.848694      7.641648  
1 1 1 6   2   18 o 207.903 4.2215  23440.21   950.591  23008.13   1267.48  23995.69   1437.12  205.863 5.6845  210.173 6.3131  -4.310486      8.495249  
1 1 1 6   2   19 o 217.877 4.2894  25749.12   1012.23  23010.18   1532.06  27870.97   1348.48  205.703 6.8765  226.559 5.4953  -20.85596      8.802520  
1 1 1 6   2   20 o 196.317 4.0360  20905.11   858.174  20250.02   1148.10  21734.55   1291.87  193.085 5.4898  199.984 5.9642  -6.898972      8.106191  
1 1 1 6   2   21 o 104.966 2.9123  5972.67    331.095  5795.83    453.619  6174.29    484.371  103.353 4.0523  106.666 4.1926  -3.313782      5.830843  
1 1 1 6   2   22 o 96.435  3.0189  5042.81    315.327  5303.84    445.643  4781.09    446.238  98.842  4.1627  93.832  4.3908  5.010262       6.050387  
1 1 1 6   2   23 o 272.849 4.9140  40497.56   1452.21  39459.64   2053.30  41536.36   2054.17  268.694 7.0554  275.737 6.8781  -7.042572      9.853324  
1 1 1 6   2   24 o 194.805 4.0247  20638.95   849.183  21073.66   1276.56  20293.91   1137.31  196.335 6.0031  192.829 5.4455  3.505905       8.104954  
1 1 1 6   2   25 o 40.417  4.4906  902.057    193.256  918.802    274.059  885.495    272.556  40.391  6.4839  39.613  6.5836  0.7774620      9.240405  
1 1 1 6   2   26 o 78.955  3.3689  3395.58    288.099  3330.85    350.978  3529.28    504.421  77.971  4.1711  79.823  5.8757  -1.851059      7.205709  
1 1 1 6   2   27 o 37.804  7.4553  826.804    294.419  715.272    435.399  920.767    399.639  34.845  10.595  39.377  9.4834  -4.532146      14.21947  
1 1 1 6   2   28 o 59.223  3.1135  1919.54    199.012  2531.89    475.363  1789.40    219.141  66.891  6.6494  57.081  3.5624  9.810108       7.543519  
1 1 1 6   2   29 o 34.837  9.2038  738.607    352.479  452.136    519.293  983.350    479.985  29.978  11.464  39.609  10.863  -9.631676      15.79283  
1 1 1 6   2   30 o 74.028  2.9604  3000.60    237.367  3116.67    437.620  2952.22    282.540  74.289  5.4774  73.249  3.5613  1.039497       6.533370  
1 1 1 6   2   31 o 44.326  2.7007  1079.78    129.041  1006.38    136.738  1677.14    390.107  42.720  2.9737  53.387  6.9085  -10.66682      7.521356  
1 1 1 6   2   32 o 45.374  5.6906  1202.12    273.515  1293.95    386.480  1109.98    387.137  45.494  8.1424  41.542  8.8736  3.951344       12.04323  
1 1 1 6   2   33 f 25.020  1.3765  341.978    37.158   139.566    360.969  344.146    37.356   20.617  8.8894  25.099  1.3794  -4.481649      8.995783  
1 1 1 6   2   34 o 34.179  7.3874  775.058    265.499  644.273    367.627  917.634    383.842  28.957  9.8259  34.754  9.7830  -5.796515      13.86565  
1 1 1 6   2   35 o 42.852  6.9815  1218.05    312.875  1330.41    489.240  1140.30    406.976  39.057  11.062  37.872  9.8343  1.185463       14.80175  
1 1 1 6   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   3   0  o 261.252 4.7006  36987.59   1330.11  36796.30   1881.11  37178.84   1881.00  260.485 6.6675  261.837 6.6326  -1.352386      9.404631  
1 1 1 6   3   1  o 87.557  2.4894  4152.48    236.080  4009.87    333.838  4295.13    333.898  86.031  3.5827  89.039  3.4623  -3.008804      4.982282  
1 1 1 6   3   2  o 190.130 3.7019  19586.00   762.330  20094.18   1078.14  19077.90   1078.06  192.538 5.1700  187.601 5.3056  4.936584       7.407971  
1 1 1 6   3   3  f 420.655 7.0501  96000.61   3212.13  94650.42   4542.57  97350.88   4542.71  417.299 10.050  423.232 9.9098  -5.932556      14.11436  
1 1 1 6   3   4  o 220.375 4.1271  26316.03   985.087  26606.52   1393.11  26025.52   1393.14  221.524 5.8062  219.089 5.8709  2.434875       8.257085  
1 1 1 6   3   5  o 500.080 8.3605  135713.70  4528.40  135850.00  6404.15  135577.41  6404.09  499.811 11.830  499.307 11.842  0.5038452      16.73854  
1 1 1 6   3   6  o 552.558 18.480  166654.20  11060.13 166654.20  11060.13 0.0000     0.0000   552.558 18.480  ?       ?       0.000000       18.48043  
1 1 1 6   3   7  f 218.291 4.0417  25813.13   955.588  26702.72   1351.56  24923.95   1351.25  221.990 5.6212  214.465 5.8171  7.525604       8.089341  
1 1 1 6   3   8  o 620.244 11.824  208795.59  7943.19  205288.91  9728.29  215809.59  13758.31 614.657 14.613  629.252 20.187  -14.59491      24.92080  
1 1 1 6   3   9  o 329.131 5.6974  58695.25   2031.02  59224.48   2872.39  58166.10   2872.20  330.527 8.0236  327.557 8.0958  2.969727       11.39819  
1 1 1 6   3   10 o 647.599 11.537  227641.59  8091.95  221392.80  10568.83 236494.30  12579.50 638.094 15.292  659.063 17.622  -20.96838      23.33247  
1 1 1 6   3   11 o 344.952 5.9198  64483.66   2211.76  64284.68   3127.83  64682.66   3127.96  344.303 8.3875  345.369 8.3620  -1.065552      11.84367  
1 1 1 6   3   12 o 40.630  1.7075  894.067    75.143   908.372    173.502  890.764    83.367   40.754  3.9815  40.555  1.8979  0.1991081      4.410722  
1 1 1 6   3   13 o 335.283 6.5763  60952.31   2388.15  56541.05   4134.48  63161.02   2925.55  322.484 11.837  341.211 7.9162  -18.72614      14.24009  
1 1 1 6   3   14 o 103.257 4.0770  5777.50    455.967  5777.50    455.967  0.0000     0.0000   103.257 4.0770  ?       ?       0.000000       4.077011  
1 1 1 6   3   15 o 499.383 9.6661  135627.70  5228.26  138720.41  9055.60  134081.41  6403.29  502.968 16.623  495.983 11.920  6.984985       20.45485  
1 1 1 6   3   16 o 231.923 4.6200  29164.44   1160.52  28792.62   1765.46  29447.35   1540.00  230.253 7.0792  232.941 6.1039  -2.687790      9.347298  
1 1 1 6   3   17 o 97.818  2.8619  5184.58    303.209  5074.25    428.571  5295.14    429.035  96.744  4.0900  98.830  4.0081  -2.085526      5.726516  
1 1 1 6   3   18 o 24.260  5.6991  332.410    147.206  195.538    206.568  473.640    209.832  20.565  7.3409  28.944  6.8074  -8.379229      10.01146  
1 1 1 6   3   19 o 271.796 5.2155  40101.70   1535.34  40165.56   2350.26  40054.15   2027.85  271.576 7.9901  271.392 6.8987  0.1841431      10.55624  
1 1 1 6   3   20 o 171.868 3.6844  16018.12   685.851  16020.13   926.432  16015.69   1020.22  171.784 4.9792  171.715 5.4855  0.6858826E-01  7.408308  
1 1 1 6   3   21 o 254.747 5.2319  35257.55   1443.58  36500.57   1771.62  32801.53   2490.27  259.009 6.3152  244.845 9.3904  14.16466       11.31645  
1 1 1 6   3   22 o 124.674 3.1268  8429.38    422.228  8382.01    593.465  8477.93    600.844  124.238 4.4103  124.945 4.4399  -0.7065048     6.258090  
1 1 1 6   3   23 o 164.122 3.4953  14620.43   621.325  14055.64   878.121  15186.68   879.254  160.723 5.0444  167.093 4.8583  -6.370071      7.003489  
1 1 1 6   3   24 o 69.351  3.3258  2612.26    249.813  2728.09    352.021  2494.74    354.572  70.627  4.6274  67.487  4.8838  3.140327       6.727879  
1 1 1 6   3   25 o 47.010  5.3347  1224.62    266.818  943.729    386.001  1481.64    369.232  40.371  9.0512  51.440  6.7934  -11.06823      11.31704  
1 1 1 6   3   26 o 57.018  2.5948  1766.69    160.244  1822.34    175.385  1485.46    394.248  57.893  2.7970  51.204  7.3168  6.688969       7.833210  
1 1 1 6   3   27 o 38.620  1.6410  809.107    68.640   820.079    71.221   665.918    257.296  38.879  1.6913  33.901  7.2279  4.977028       7.423194  
1 1 1 6   3   28 o 107.165 3.0948  6267.88    359.213  5658.80    523.418  6810.14    493.876  101.288 4.7711  111.383 4.0938  -10.09471      6.286742  
1 1 1 6   3   29 o 45.514  7.6914  1215.30    365.645  1744.98    535.568  752.859    500.420  53.741  9.5510  35.019  11.454  18.72171       14.91391  
1 1 1 6   3   30 o 90.009  5.0783  4543.33    493.055  4555.45    710.995  4532.11    684.339  88.378  7.4984  88.384  7.2115  -0.6767273E-02 10.40350  
1 1 1 6   3   31 o 96.862  3.3857  5170.36    355.199  5634.44    519.276  4762.28    486.938  100.257 4.7820  91.975  4.9057  8.281792       6.850863  
1 1 1 6   3   32 o 18.914  7.7441  122.378    252.610  75.772     356.146  169.564    358.355  20.476  8.8291  21.902  9.1198  -1.426176      12.69344  
1 1 1 6   3   33 o 34.724  1.7099  658.808    64.311   668.123    65.276   350.810    375.348  34.967  1.7236  24.026  9.5815  10.94047       9.735279  
1 1 1 6   3   34 o 23.223  1.7904  297.138    44.685   33.195     331.119  302.034    45.098   18.251  8.1636  23.414  1.7919  -5.162949      8.357916  
1 1 1 6   3   35 o 35.918  8.0208  913.561    304.149  992.032    470.325  857.157    398.747  32.931  11.114  31.871  10.208  1.060213       15.09106  
1 1 1 6   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   4   0  o 435.746 10.227  103168.60  4826.57  89399.32   6825.10  116943.60  6826.50  404.745 15.569  463.336 13.603  -58.59036      20.67435  
1 1 1 6   4   1  o 456.831 10.882  113463.40  5384.28  113501.60  7614.55  113425.10  7614.48  456.010 15.417  455.855 15.422  0.1548462      21.80652  
1 1 1 6   4   2  o 474.719 16.027  123125.30  8240.53  123125.30  8240.53  0.0000     0.0000   474.719 16.027  ?       ?       0.000000       16.02685  
1 1 1 6   4   3  o 424.974 14.442  98540.48   6647.68  98540.48   6647.68  0.0000     0.0000   424.974 14.442  ?       ?       0.000000       14.44233  
1 1 1 6   4   4  o 168.677 3.4033  15414.28   621.767  15069.87   879.091  15759.04   879.532  166.747 4.8675  170.520 4.7622  -3.773193      6.809615  
1 1 1 6   4   5  o 284.918 5.0015  43994.54   1543.44  44903.14   2182.90  43086.21   2182.59  287.743 7.0042  281.853 7.1496  5.890167       10.00875  
1 1 1 6   4   6  o 469.319 7.8343  119448.60  3982.33  118422.70  5631.96  120474.50  5631.78  466.968 11.135  471.007 11.039  -4.039368      15.68009  
1 1 1 6   4   7  o 513.379 8.5493  142916.30  4753.80  141474.41  6722.96  144358.20  6722.82  510.443 12.160  515.633 12.038  -5.189728      17.11070  
1 1 1 6   4   8  o 689.894 16.114  258807.59  12041.01 256040.70  17028.55 261574.50  17028.57 684.763 22.960  692.183 22.714  -7.420959      32.29644  
1 1 1 6   4   9  o 378.395 6.9219  77600.64   2836.87  78701.36   3721.04  76072.88   4383.83  380.967 9.0179  374.444 10.809  6.522491       14.07705  
1 1 1 6   4   10 o 445.548 7.4824  107609.30  3610.79  110664.30  5106.59  104554.80  5106.27  451.621 10.440  438.953 10.740  12.66763       14.97801  
1 1 1 6   4   11 o 214.772 4.0222  24987.98   935.647  26167.21   1323.38  23809.36   1323.03  219.750 5.5601  209.610 5.8276  10.14032       8.054538  
1 1 1 6   4   12 o 312.742 5.7735  53007.32   1955.69  55045.27   2574.43  50226.50   3007.26  318.618 7.4600  304.259 9.1255  14.35910       11.78672  
1 1 1 6   4   13 o 134.600 3.4864  9814.72    508.266  9483.36    873.674  9984.24    624.895  132.261 6.0988  135.746 4.2502  -3.484573      7.433704  
1 1 1 6   4   14 o 587.814 13.855  188404.91  8821.20  188404.91  8821.20  0.0000     0.0000   587.814 13.855  ?       ?       0.000000       13.85536  
1 1 1 6   4   15 o 516.389 12.634  145463.00  7066.02  144649.00  14780.70 145704.20  8044.85  507.796 26.971  516.262 14.387  -8.466705      30.56835  
1 1 1 6   4   16 o 183.838 3.6687  18316.44   730.492  18929.81   1033.15  17703.26   1032.99  186.824 5.1058  180.660 5.2792  6.163193       7.344281  
1 1 1 6   4   17 f 201.587 4.1013  22031.86   895.485  22436.74   1196.28  21515.84   1350.52  203.346 5.4316  199.064 6.2638  4.281052       8.290791  
1 1 1 6   4   18 o 154.856 3.3267  12997.80   557.973  13153.46   789.350  12842.35   788.837  155.715 4.6802  153.860 4.7336  1.855499       6.656705  
1 1 1 6   4   19 o 80.681  2.9085  3527.78    254.159  3817.75    361.663  3244.86    357.248  83.904  3.9797  77.225  4.2880  6.678299       5.850197  
1 1 1 6   4   20 o 175.115 3.5744  16627.87   677.942  16400.80   962.470  16851.46   955.081  173.801 5.1129  176.182 5.0051  -2.381149      7.154861  
1 1 1 6   4   21 o 124.891 3.0969  8456.57    418.917  7874.21    593.438  9035.01    591.443  120.436 4.5494  129.029 4.2321  -8.593277      6.213485  
1 1 1 6   4   22 o 128.866 3.1843  9006.25    444.456  8989.34    636.293  9022.36    621.093  128.647 4.5666  128.892 4.4490  -0.2457733     6.375478  
1 1 1 6   4   23 o 81.034  2.7429  3561.15    240.739  3432.25    396.782  3636.25    302.851  79.316  4.6389  81.853  3.4161  -2.536148      5.760981  
1 1 1 6   4   24 o 63.306  3.4391  2183.54    234.921  2261.30    331.357  2104.96    333.107  64.247  4.7964  61.940  5.0081  2.306541       6.934451  
1 1 1 6   4   25 o 57.677  4.7520  1828.94    294.215  1670.24    424.294  1975.94    408.331  54.514  7.3754  59.611  6.4259  -5.097336      9.782063  
1 1 1 6   4   26 o 89.511  3.6394  4368.57    352.837  4320.37    449.597  4445.85    569.304  88.697  4.6967  89.626  5.8976  -0.9283829     7.539269  
1 1 1 6   4   27 o 55.028  3.7309  1661.92    221.052  1884.12    326.826  1474.56    300.109  58.250  5.2362  51.414  5.4734  6.835556       7.574665  
1 1 1 6   4   28 o 38.768  5.7088  851.810    232.538  706.104    308.946  1042.25    353.197  34.491  8.3577  42.170  8.0261  -7.679211      11.58744  
1 1 1 6   4   29 f 26.716  9.4122  389.908    338.520  770.808    498.238  63.302     461.363  35.348  11.421  23.539  10.098  11.80854       15.24464  
1 1 1 6   4   30 o 50.792  7.1516  1510.29    382.535  1441.92    554.988  1572.17    527.994  47.321  11.032  50.114  10.077  -2.792244      14.94128  
1 1 1 6   4   31 o 44.703  2.7448  1098.72    132.255  1592.60    385.533  1032.85    140.799  51.930  7.0356  43.268  3.0235  8.662376       7.657749  
1 1 1 6   4   32 o 62.270  4.4303  2193.12    296.851  2080.76    418.445  2306.96    421.190  59.117  6.6506  62.555  6.3024  -3.437347      9.162444  
1 1 1 6   4   33 o 20.366  7.8348  229.714    243.450  269.854    324.855  178.290    367.691  22.149  8.8857  21.247  9.0621  0.9017048      12.69164  
1 1 1 6   4   34 o 16.220  7.1263  29.944     241.363  -190.6037  322.515  310.723    363.898  15.610  7.3568  22.674  9.2905  -7.064051      11.85059  
1 1 1 6   4   35 o 23.936  8.6933  423.955    291.163  77.609     444.595  684.048    385.278  19.914  9.1244  28.514  10.042  -8.599834      13.56798  
1 1 1 6   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   5   0  o 426.884 14.494  99366.89   6701.54  0.0000     0.0000   99366.89   6701.54  ?       ?       426.884 14.494  0.000000       14.49421  
1 1 1 6   5   1  o 218.260 4.1160  25812.80   973.028  25995.34   1376.13  25630.31   1376.01  218.969 5.8024  217.424 5.8431  1.544571       8.234639  
1 1 1 6   5   2  o 483.374 16.307  127706.70  8537.27  0.0000     0.0000   127706.70  8537.27  ?       ?       483.374 16.307  0.000000       16.30669  
1 1 1 6   5   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   5   4  o 205.942 3.8961  22980.27   869.051  23122.94   1229.02  22837.59   1229.03  206.528 5.4942  205.249 5.5286  1.279602       7.794339  
1 1 1 6   5   5  f 371.453 6.3518  74808.43   2555.47  78532.38   3614.22  71085.45   3613.75  380.387 8.7724  361.861 9.2203  18.52612       12.72671  
1 1 1 6   5   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   5   7  o 543.546 9.0465  160226.80  5325.85  164245.70  7532.12  156208.41  7531.65  549.945 12.645  536.282 12.967  13.66290       18.11175  
1 1 1 6   5   8  o 192.582 3.7367  20089.46   779.431  20204.60   1102.41  19974.38   1102.16  193.113 5.2706  192.009 5.2997  1.103851       7.474381  
1 1 1 6   5   9  o 263.626 4.7190  37650.64   1347.43  38842.79   1905.76  36459.03   1905.33  267.722 6.5723  259.371 6.7823  8.350891       9.444287  
1 1 1 6   5   10 o 704.481 13.417  269610.69  10237.60 270564.19  12538.37 267703.50  17732.26 705.179 16.416  699.760 23.396  5.419556       28.58097  
1 1 1 6   5   11 o 285.789 5.0581  44253.29   1565.69  44340.77   2214.22  44165.79   2214.21  286.001 7.1480  285.435 7.1621  0.5654297      10.11876  
1 1 1 6   5   12 o 658.062 11.738  235241.59  8366.03  240044.80  10926.60 228436.41  13005.89 664.055 15.192  646.979 18.560  17.07617       23.98474  
1 1 1 6   5   13 o 539.045 12.701  158083.50  7415.31  163151.59  10487.52 153016.70  10486.14 546.432 17.720  529.031 18.301  17.40082       25.47376  
1 1 1 6   5   14 o 432.350 8.4449  101491.00  3954.56  102822.90  4843.26  98826.80   6849.69  434.909 10.282  425.495 14.863  9.414490       18.07275  
1 1 1 6   5   15 o 552.529 10.591  166184.20  6338.04  184884.30  10978.77 156836.70  7762.14  580.227 17.470  535.947 13.372  44.27942       21.99991  
1 1 1 6   5   16 o 349.149 6.2847  66166.96   2376.67  67560.59   3122.71  64248.27   3664.05  352.532 8.1783  343.487 9.8488  9.044830       12.80167  
1 1 1 6   5   17 o 321.282 5.6065  56017.44   1950.96  54766.31   2759.08  57268.56   2759.08  317.325 8.0277  324.524 7.8496  -7.198761      11.22764  
1 1 1 6   5   18 o 208.213 3.9939  23506.85   900.695  22818.62   1274.05  24194.47   1273.50  205.007 5.7378  211.113 5.5695  -6.105606      7.996367  
1 1 1 6   5   19 o 215.647 4.0956  25221.40   956.604  24745.78   1353.05  25696.72   1352.64  213.440 5.8529  217.515 5.7415  -4.074768      8.198792  
1 1 1 6   5   20 o 404.841 7.4463  89246.19   3265.07  87846.18   5049.48  90252.16   4280.29  400.071 11.653  406.332 9.7257  -6.261597      15.17838  
1 1 1 6   5   21 o 152.293 3.3414  12576.88   551.161  12496.61   780.078  12656.89   778.843  151.704 4.7476  152.677 4.7098  -0.9729919     6.687440  
1 1 1 6   5   22 o 213.673 4.0842  24784.51   945.217  24226.23   1336.84  25342.62   1336.64  210.988 5.8499  215.818 5.7182  -4.830124      8.180405  
1 1 1 6   5   23 o 63.374  2.1150  2176.86    145.176  2022.46    206.842  2326.77    203.813  60.974  3.1427  65.497  2.8730  -4.523029      4.258059  
1 1 1 6   5   24 o 94.561  4.2488  4865.90    435.164  4586.44    619.841  5137.51    611.082  91.332  6.3046  96.783  5.8571  -5.451210      8.605395  
1 1 1 6   5   25 o 29.717  7.3894  507.070    236.836  783.201    346.430  264.768    324.517  36.778  8.8123  24.544  9.1325  12.23387       12.69088  
1 1 1 6   5   26 o 87.999  2.7749  4210.31    264.479  4343.09    345.140  4021.42    411.647  89.260  3.5700  85.623  4.4542  3.636734       5.708273  
1 1 1 6   5   27 o 68.995  2.5439  2588.70    190.102  2640.86    229.266  2473.93    340.082  69.624  3.0403  66.949  4.7202  2.674965       5.614553  
1 1 1 6   5   28 o 80.887  3.3149  3575.05    290.419  3634.52    409.322  3514.76    412.121  81.072  4.6814  79.680  4.7977  1.392441       6.703268  
1 1 1 6   5   29 o 24.570  7.9465  343.375    241.172  442.274    340.061  243.296    342.086  27.872  9.4504  23.827  9.2532  4.045437       13.22617  
1 1 1 6   5   30 o 56.168  6.5383  1821.10    390.321  2384.02    565.213  1307.92    539.668  63.122  8.4819  44.938  11.143  18.18337       14.00366  
1 1 1 6   5   31 o 55.593  6.7175  1809.64    396.279  2562.58    575.246  1129.59    546.690  65.024  8.3616  40.737  11.745  24.28761       14.41730  
1 1 1 6   5   32 o 44.764  1.6180  1090.97    78.446   1267.94    110.791  913.047    111.089  48.166  2.1237  40.720  2.5314  7.446236       3.304221  
1 1 1 6   5   33 o 55.751  4.6515  1804.83    278.312  1551.67    376.313  2110.49    413.495  49.420  7.2456  58.352  6.6619  -8.932343      9.842739  
1 1 1 6   5   34 o 30.919  2.3868  531.370    79.313   516.861    81.058   857.365    384.226  30.461  2.4784  33.354  9.9111  -2.893103      10.21624  
1 1 1 6   5   35 o 32.076  8.4039  754.645    295.472  883.259    455.807  661.429    388.045  31.168  10.926  28.018  10.055  3.149275       14.84850  
1 1 1 6   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   6   0  o 318.075 6.4178  54864.59   2210.97  56253.57   2707.60  52084.96   3830.28  321.974 7.7642  309.454 11.428  12.51999       13.81587  
1 1 1 6   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   6   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   6   3  o 572.271 19.204  179669.30  11903.38 179669.30  11903.38 0.0000     0.0000   572.271 19.204  ?       ?       0.000000       19.20429  
1 1 1 6   6   4  o 265.690 4.7772  38257.58   1374.73  38582.96   1944.02  37932.11   1944.30  266.718 6.7294  264.456 6.7880  2.262604       9.558326  
1 1 1 6   6   5  o 219.003 4.0675  25986.00   964.826  25471.44   1364.55  26500.43   1364.39  216.772 5.8119  221.111 5.6971  -4.339233      8.138503  
1 1 1 6   6   6  o 301.823 5.2372  49362.97   1712.07  48026.73   2421.30  50699.05   2421.16  297.617 7.5114  305.795 7.3101  -8.177765      10.48134  
1 1 1 6   6   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   6   8  o 709.804 23.532  275212.41  18091.47 275212.41  18091.47 0.0000     0.0000   709.804 23.532  ?       ?       0.000000       23.53235  
1 1 1 6   6   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   6   10 o 887.603 29.454  433121.31  28316.48 0.0000     0.0000   433121.31  28316.48 ?       ?       887.603 29.454  0.000000       29.45441  
1 1 1 6   6   11 o 125.965 2.9319  8594.28    400.007  8437.02    565.672  8751.55    565.720  124.796 4.1850  127.102 4.1094  -2.305672      5.865268  
1 1 1 6   6   12 o 104.837 2.6520  5953.04    301.136  6515.78    436.050  5439.94    416.373  109.672 3.6709  100.209 3.8363  9.463745       5.309626  
1 1 1 6   6   13 o 352.372 8.5489  67384.56   3262.72  71026.61   4615.15  63745.57   4613.22  361.426 11.790  342.322 12.442  19.10388       17.14067  
1 1 1 6   6   14 o 159.386 3.5181  13763.73   607.342  13642.47   896.226  13866.71   825.899  158.639 5.2160  159.951 4.7673  -1.311508      7.066353  
1 1 1 6   6   15 o 205.632 4.8856  22924.70   1088.12  22059.61   2327.31  23166.71   1230.94  201.008 10.729  206.684 5.4987  -5.676559      12.05568  
1 1 1 6   6   16 o 106.598 2.8997  6156.66    334.786  6054.57    474.528  6257.83    472.396  105.684 4.1456  107.445 4.0593  -1.761505      5.802033  
1 1 1 6   6   17 o 176.103 3.7483  16810.60   714.934  16876.38   1067.92  16757.17   962.428  176.345 5.5912  175.755 5.0558  0.5902710      7.538079  
1 1 1 6   6   18 o 138.071 3.2808  10332.64   490.627  10237.94   675.937  10438.08   713.271  137.384 4.5426  138.710 4.7476  -1.326019      6.570754  
1 1 1 6   6   19 o 232.280 4.5754  29272.92   1151.09  31060.29   1750.69  27911.76   1527.77  239.005 6.7629  226.637 6.2238  12.36749       9.190908  
1 1 1 6   6   20 o 141.714 3.3326  10888.01   511.522  11080.60   704.842  10673.70   743.508  142.894 4.5542  140.223 4.8955  2.670685       6.686272  
1 1 1 6   6   21 o 179.422 3.6456  17461.34   708.464  17419.58   1002.24  17503.05   1001.60  179.064 5.1677  179.495 5.1520  -0.4302673     7.297071  
1 1 1 6   6   22 o 99.758  3.1068  5396.88    335.684  4747.43    471.278  6065.71    478.257  93.482  4.6546  105.699 4.1775  -12.21716      6.254321  
1 1 1 6   6   23 o 55.525  2.4075  1671.45    144.788  1740.30    159.919  1358.42    340.994  56.652  2.6063  49.467  6.5236  7.184708       7.024974  
1 1 1 6   6   24 o 61.023  4.7475  2040.96    311.315  2218.53    446.913  1873.57    433.907  63.299  6.6164  58.021  7.0494  5.277779       9.668015  
1 1 1 6   6   25 o 87.804  3.0688  4190.22    291.849  4132.21    410.858  4249.32    414.642  86.924  4.3780  88.262  4.3374  -1.338058      6.162770  
1 1 1 6   6   26 o 132.005 3.2086  9487.10    458.748  9545.47    657.684  9431.80    640.203  132.041 4.5987  131.282 4.5024  0.7590332      6.435805  
1 1 1 6   6   27 o 110.426 2.9480  6640.88    352.588  7024.18    493.528  6241.29    503.903  113.294 4.0219  106.697 4.3604  6.597427       5.932027  
1 1 1 6   6   28 o 40.538  5.1802  923.175    222.247  607.101    305.726  1277.39    323.647  31.965  8.6293  47.368  6.4781  -15.40359      10.79032  
1 1 1 6   6   29 o 16.205  2.6563  146.900    45.005   442.330    338.200  141.574    45.409   27.852  9.4246  15.887  2.7377  11.96489       9.814180  
1 1 1 6   6   30 o 66.931  2.9822  2453.50    216.191  2213.12    250.698  3150.81    426.997  63.284  3.6733  74.779  5.3065  -11.49503      6.453824  
1 1 1 6   6   31 o 26.301  9.3698  399.102    336.376  164.079    466.138  654.467    485.893  24.248  10.267  32.077  11.279  -7.829264      15.25209  
1 1 1 6   6   32 f 39.432  6.1454  923.346    253.908  736.269    341.792  1153.72    379.290  33.464  9.1619  42.584  8.5209  -9.120663      12.51181  
1 1 1 6   6   33 o 37.024  1.7460  749.326    70.014   1209.51    346.781  729.771    71.486   43.132  7.7059  36.525  1.8070  6.606407       7.914947  
1 1 1 6   6   34 o 16.848  7.2781  66.491     242.916  73.683     321.236  56.886     371.233  18.577  8.1894  19.247  8.6239  -0.6703148     11.89281  
1 1 1 6   6   35 o 22.832  9.0485  371.988    332.835  368.916    434.316  376.359    518.086  23.098  9.8501  23.512  10.381  -0.4136906     14.31037  
1 1 1 6   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   7   0  o 224.757 4.8049  27378.23   1169.68  28159.48   2024.92  26987.01   1432.93  227.772 8.2080  223.100 5.9300  4.671448       10.12601  
1 1 1 6   7   1  o 470.792 11.171  120547.30  5696.38  126221.40  8056.19  114874.10  8055.62  480.802 15.470  458.495 16.222  22.30713       22.41572  
1 1 1 6   7   2  o 153.595 3.1992  12780.62   532.210  12779.92   752.757  12781.32   752.560  153.562 4.5258  153.571 4.5244  -0.8468628E-02 6.399504  
1 1 1 6   7   3  o 113.104 2.7332  6929.57    334.830  6987.51    472.779  6871.26    474.267  113.561 3.8438  112.612 3.8884  0.9493408      5.467566  
1 1 1 6   7   4  o 488.001 9.4432  129336.90  4991.26  125847.70  6112.65  136318.00  8646.19  481.000 11.733  499.672 15.976  -18.67166      19.82173  
1 1 1 6   7   5  o 522.441 10.050  148211.50  5686.61  149618.80  9850.83  147508.09  6964.18  523.519 17.373  520.844 12.345  2.675537       21.31230  
1 1 1 6   7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   7   7  o 577.046 9.5325  180602.50  5957.80  182288.30  8425.85  178916.91  8425.34  579.297 13.429  573.899 13.554  5.398315       19.08035  
1 1 1 6   7   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   7   9  o 467.181 7.8268  118315.60  3960.42  122181.00  5601.22  114451.20  5600.55  474.529 10.898  459.244 11.259  15.28549       15.66981  
1 1 1 6   7   10 f 398.200 6.7792  85939.45   2923.82  84551.70   4134.96  87327.13   4134.84  394.807 9.6698  401.245 9.5143  -6.437988      13.56567  
1 1 1 6   7   11 o 268.255 4.8092  38988.20   1397.30  39990.34   1976.27  37986.44   1975.89  271.622 6.7176  264.723 6.8913  6.899017       9.623678  
1 1 1 6   7   12 o 328.867 6.5636  58628.68   2337.92  62800.16   4048.61  56541.73   2863.64  340.062 10.992  322.872 8.1887  17.19046       13.70693  
1 1 1 6   7   13 o 318.001 7.2383  54848.34   2493.09  57697.19   3237.52  50697.70   3907.84  326.003 9.1690  305.342 11.816  20.66171       14.95641  
1 1 1 6   7   14 o 399.198 6.7289  86444.90   2909.38  84892.21   4113.86  87998.52   4115.10  395.255 9.6095  402.445 9.4407  -7.190216      13.47107  
1 1 1 6   7   15 o 484.076 9.3247  127420.30  4888.96  129471.10  8467.96  126394.90  5987.71  486.005 16.087  481.619 11.479  4.385498       19.76210  
1 1 1 6   7   16 o 699.711 11.592  267201.31  8785.40  275555.31  12424.61 258847.70  12424.26 707.967 16.203  685.832 16.726  22.13446       23.28710  
1 1 1 6   7   17 o 300.456 5.2304  48978.37   1702.11  47082.93   2406.89  50874.62   2407.41  294.290 7.5511  305.954 7.2648  -11.66428      10.47839  
1 1 1 6   7   18 o 225.549 4.4019  27592.14   1075.35  28656.34   1429.31  26204.05   1632.39  229.735 5.7442  219.564 6.8643  10.17136       8.950618  
1 1 1 6   7   19 o 261.186 4.7225  37016.86   1335.96  37249.11   1889.51  36784.70   1889.15  261.748 6.6649  260.105 6.7058  1.643097       9.454565  
1 1 1 6   7   20 o 272.808 4.8994  40401.52   1447.68  39399.14   2047.19  41404.16   2047.46  269.062 7.0248  275.856 6.8527  -6.794159      9.813646  
1 1 1 6   7   21 f 232.070 4.6275  29241.11   1163.14  30004.76   1769.52  28660.14   1543.42  234.702 6.9610  229.518 6.2086  5.183563       9.327493  
1 1 1 6   7   22 o 142.560 3.3079  11023.66   510.769  11445.84   720.242  10596.53   724.451  145.158 4.5811  139.648 4.7896  5.509201       6.627739  
1 1 1 6   7   23 o 89.827  4.2904  4385.16    417.420  4440.52    593.784  4331.08    586.919  90.024  6.1262  88.902  6.1329  1.122322       8.668463  
1 1 1 6   7   24 o 203.372 6.3250  22643.58   1393.24  22226.40   2312.03  22881.44   1745.82  199.202 10.756  203.818 7.9084  -4.616470      13.35025  
1 1 1 6   7   25 o 80.232  3.0952  3499.01    268.973  3351.93    378.936  3648.36    381.850  78.242  4.4903  81.669  4.3323  -3.427155      6.239574  
1 1 1 6   7   26 o 25.230  5.9336  364.802    159.423  427.898    208.434  275.854    247.479  27.252  7.0188  23.230  8.0559  4.022560       10.68465  
1 1 1 6   7   27 o 112.972 3.0323  6953.21    371.029  7203.40    516.691  6686.86    533.124  114.685 4.1596  110.405 4.4583  4.280167       6.097468  
1 1 1 6   7   28 o 34.022  6.1487  664.356    218.240  750.328    293.433  557.927    326.483  35.709  7.8047  30.736  9.1367  4.973471       12.01637  
1 1 1 6   7   29 o 65.325  3.9171  2355.38    275.868  2498.92    398.677  2223.51    382.122  66.665  5.5726  62.815  5.6779  3.849567       7.955657  
1 1 1 6   7   30 o 15.197  6.8700  -102.5653  241.580  2.5450     319.855  -242.1532  368.599  19.120  8.3054  17.573  8.1434  1.546373       11.63159  
1 1 1 6   7   31 o 43.595  7.5065  1141.71    341.654  899.374    455.511  1453.37    516.571  36.920  10.743  47.380  10.355  -10.45986      14.92127  
1 1 1 6   7   32 o 32.115  9.0399  675.994    327.748  864.084    431.588  419.756    503.743  35.379  10.502  27.433  11.044  7.946371       15.24028  
1 1 1 6   7   33 o 28.228  1.3899  434.089    42.493   626.379    59.690   236.496    60.507   33.871  1.6271  20.474  2.8021  13.39644       3.240211  
1 1 1 6   7   34 o 15.182  6.8734  -41.8965   242.833  56.745     321.821  -172.3119  370.040  18.352  8.1382  16.852  7.9232  1.500011       11.35816  
1 1 1 6   7   35 o 32.272  1.6038  570.423    56.058   246.495    436.646  575.852    56.526   21.592  9.5318  32.424  1.6096  -10.83225      9.666737  
1 1 1 6   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   8   1  f 327.186 8.0074  58103.37   2837.62  53920.71   4012.68  62287.39   4013.33  314.781 11.769  338.432 10.949  -23.65121      16.07463  
1 1 1 6   8   2  o 153.870 3.2326  12826.52   538.732  13266.05   761.989  12387.24   761.776  156.456 4.4966  151.182 4.6522  5.274918       6.470117  
1 1 1 6   8   3  o 459.416 10.936  114773.60  5441.71  109704.50  7695.65  119842.90  7695.81  448.141 15.855  468.563 15.164  -20.42203      21.93908  
1 1 1 6   8   4  o 516.233 12.219  144991.20  6831.81  140948.09  9661.72  149034.20  9661.55  507.734 17.569  522.231 17.081  -14.49707      24.50372  
1 1 1 6   8   5  o 218.935 3.8280  25967.70   907.736  26654.44   1284.09  25281.72   1283.37  221.772 5.3459  215.981 5.4861  5.790359       7.660039  
1 1 1 6   8   6  o 334.149 5.7887  60507.86   2095.03  58725.35   2963.02  62289.89   2962.63  329.073 8.3133  338.926 8.0705  -9.853516      11.58638  
1 1 1 6   8   7  o 349.209 5.9916  66079.76   2266.19  65199.36   3205.08  66959.91   3204.67  346.769 8.5335  351.425 8.4194  -4.656250      11.98779  
1 1 1 6   8   8  o 577.467 13.606  181110.41  8510.09  181110.41  8510.09  0.0000     0.0000   577.467 13.606  ?       ?       0.000000       13.60620  
1 1 1 6   8   9  o 449.329 7.5217  109438.50  3660.57  111265.70  5177.02  107611.50  5176.65  452.862 10.555  445.350 10.732  7.512299       15.05240  
1 1 1 6   8   10 o 601.004 9.9246  195951.70  6460.44  195796.59  9136.54  196106.91  9136.34  600.243 14.053  600.720 14.042  -0.4770508     19.86653  
1 1 1 6   8   11 o 560.872 9.2670  170648.70  5629.57  180831.41  7961.77  160467.91  7961.04  576.928 12.741  543.364 13.527  33.56439       18.58305  
1 1 1 6   8   12 o 315.284 6.2862  53881.89   2146.66  55695.88   3716.75  52973.89   2629.59  320.266 10.715  312.540 7.7680  7.726349       13.23436  
1 1 1 6   8   13 o 156.103 3.7339  13202.11   631.319  13905.69   775.930  11824.14   1085.89  160.194 4.4720  147.661 6.7896  12.53285       8.130095  
1 1 1 6   8   14 o 59.695  2.0279  1930.12    131.119  1963.32    183.358  1895.38    187.574  60.202  2.8120  59.151  2.9278  1.051540       4.059496  
1 1 1 6   8   15 o 269.028 6.8446  39282.75   1994.43  40773.03   2820.51  37792.40   2820.59  273.800 9.5110  263.557 9.8808  10.24249       13.71456  
1 1 1 6   8   16 o 187.003 3.9983  18955.67   809.824  19948.96   1026.31  17316.89   1318.26  191.792 4.9406  178.578 6.8156  13.21429       8.417918  
1 1 1 6   8   17 o 304.248 5.3516  50227.81   1763.53  51896.49   2494.22  48559.70   2493.79  308.977 7.4531  298.840 7.7046  10.13696       10.71962  
1 1 1 6   8   18 o 126.462 3.0649  8667.34    419.803  9240.76    586.671  8065.63    600.970  130.538 4.1494  121.939 4.5503  8.599068       6.158146  
1 1 1 6   8   19 o 93.332  2.8862  4720.85    291.756  4792.75    413.575  4649.63    411.642  94.005  4.0619  92.590  4.1047  1.415565       5.774784  
1 1 1 6   8   20 o 221.511 4.1783  26619.10   1002.46  26591.15   1417.84  26647.03   1417.55  221.199 5.9180  221.432 5.9105  -0.2332916     8.364011  
1 1 1 6   8   21 f 112.391 3.0341  6848.38    369.347  7032.23    511.007  6647.28    534.454  113.835 4.1446  110.657 4.4592  3.177620       6.087876  
1 1 1 6   8   22 o 155.505 4.8266  13140.61   812.931  12012.58   1150.14  14266.74   1149.18  148.377 7.1567  161.797 6.5576  -13.42046      9.706739  
1 1 1 6   8   23 o 42.396  6.1276  1000.32    273.210  1505.79    393.309  528.976    379.799  51.997  7.1749  31.234  9.9586  20.76226       12.27408  
1 1 1 6   8   24 f 69.895  2.2572  2649.36    170.878  2643.14    243.465  2655.40    239.889  69.762  3.2222  69.927  3.1674  -0.1649323     4.518240  
1 1 1 6   8   25 o 74.482  3.1609  3016.10    254.993  3064.48    358.417  2966.50    362.853  74.806  4.4436  73.572  4.5762  1.234375       6.378658  
1 1 1 6   8   26 o 58.567  3.4731  1875.78    219.330  2007.63    309.071  1742.03    311.300  60.346  4.7675  56.093  5.1825  4.252769       7.041856  
1 1 1 6   8   27 o 76.841  2.7373  3213.40    227.814  3179.61    281.173  3277.97    388.687  76.334  3.4008  77.112  4.6759  -0.7774200     5.781853  
1 1 1 6   8   28 o 9.9449  2.2883  55.940     24.135   143.397    351.106  55.525     24.193   22.448  9.1534  9.9072  2.2990  12.54043       9.437731  
1 1 1 6   8   29 o 32.548  6.9060  622.183    235.919  556.119    337.732  685.139    329.693  30.460  9.3451  33.608  8.9119  -3.147907      12.91331  
1 1 1 6   8   30 o 95.044  3.0844  4951.85    317.513  4738.29    482.789  5114.62    421.489  92.036  4.8604  96.176  4.0462  -4.140419      6.324183  
1 1 1 6   8   31 o 70.541  2.9175  2730.26    222.909  2629.12    254.403  3064.56    462.524  69.061  3.4011  73.089  5.8927  -4.027885      6.803805  
1 1 1 6   8   32 o 27.644  9.2020  490.224    322.446  586.811    424.383  358.314    495.952  29.748  10.532  26.466  10.845  3.281395       15.11782  
1 1 1 6   8   33 o 25.885  7.9871  448.499    246.302  34.503     329.073  975.853    371.403  18.556  8.2290  37.166  9.2602  -18.60970      12.38820  
1 1 1 6   8   34 o 54.567  2.6392  1653.84    155.982  1630.04    378.171  1658.72    171.226  50.100  7.1740  54.428  2.9151  -4.328293      7.743632  
1 1 1 6   8   35 o 21.974  8.9146  325.124    330.948  327.932    432.010  321.134    514.885  22.533  9.7202  22.895  10.215  -0.3618717     14.10044  
1 1 1 6   8   36 o 16.146  7.7888  -263.5398  408.081  -263.5398  408.081  0.0000     0.0000   16.146  7.7888  ?       ?       0.000000       7.788760  
1 1 1 6   9   0  o 479.477 16.184  125640.00  8404.67  0.0000     0.0000   125640.00  8404.67  ?       ?       479.477 16.184  0.000000       16.18386  
1 1 1 6   9   1  o 191.449 3.5906  19858.39   744.553  21752.24   1053.34  17967.28   1052.58  200.332 4.8545  182.054 5.3381  18.27748       7.215351  
1 1 1 6   9   2  o 454.015 10.809  112089.50  5315.39  115030.00  7517.40  109149.40  7516.79  459.032 15.120  447.048 15.524  11.98392       21.67067  
1 1 1 6   9   3  o 417.286 6.9033  94452.09   3120.03  98327.91   4412.47  90576.54   4412.31  425.443 9.5757  408.275 9.9780  17.16791       13.82945  
1 1 1 6   9   4  o 296.945 5.2036  47790.82   1673.60  48075.88   2366.87  47505.77   2366.78  297.710 7.3403  295.936 7.3840  1.773315       10.41164  
1 1 1 6   9   5  o 558.834 18.692  170565.70  11313.88 0.0000     0.0000   170565.70  11313.88 ?       ?       558.834 18.692  0.000000       18.69213  
1 1 1 6   9   6  o 379.366 6.4140  78001.42   2635.49  79781.93   3727.47  76221.53   3726.82  383.526 8.9732  374.858 9.1791  8.668945       12.83648  
1 1 1 6   9   7  o 158.660 3.2540  13634.85   559.185  14231.72   791.793  13040.95   789.823  162.083 4.5103  155.152 4.7001  6.931091       6.514083  
1 1 1 6   9   8  f 127.320 2.9187  8779.96    402.489  8673.97    570.270  8885.16    568.146  126.541 4.1608  128.072 4.0958  -1.531776      5.838465  
1 1 1 6   9   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   9   10 o 806.888 26.768  357073.09  23393.85 357073.09  23393.85 0.0000     0.0000   806.888 26.768  ?       ?       0.000000       26.76815  
1 1 1 6   9   11 o 473.021 8.3870  121341.70  4296.90  128174.70  5624.20  111761.30  6659.64  485.945 10.686  453.452 13.560  32.49350       17.26412  
1 1 1 6   9   12 o 368.526 7.2753  73641.11   2903.94  73227.91   5028.38  73847.88   3557.08  367.026 12.649  368.928 8.9019  -1.902252      15.46754  
1 1 1 6   9   13 o 338.518 6.6837  62142.52   2450.59  64615.64   3002.30  57205.71   4241.85  345.085 8.0326  324.299 12.076  20.78619       14.50393  
1 1 1 6   9   14 o 222.042 4.0710  26716.60   979.054  27175.93   1383.35  26255.63   1385.83  223.874 5.7050  220.046 5.8147  3.828583       8.146054  
1 1 1 6   9   15 o 98.564  3.3491  5263.98    357.536  5085.46    439.745  5612.16    614.123  96.864  4.1915  101.568 5.6042  -4.704613      6.998238  
1 1 1 6   9   16 o 196.743 3.8219  20980.35   814.431  21502.46   1151.98  20458.60   1151.58  199.095 5.3421  194.194 5.4751  4.900940       7.649469  
1 1 1 6   9   17 o 251.382 4.9294  34279.52   1342.15  34599.56   2048.94  34038.98   1776.28  252.275 7.4987  250.338 6.5511  1.937515       9.957270  
1 1 1 6   9   18 o 153.119 3.3140  12708.04   549.608  12769.03   777.461  12647.12   777.066  153.419 4.6787  152.684 4.6989  0.7352905      6.630989  
1 1 1 6   9   19 o 260.916 4.7248  36941.07   1335.22  37289.52   1889.53  36593.54   1887.05  261.885 6.6615  259.421 6.7159  2.463928       9.459357  
1 1 1 6   9   20 o 193.196 3.8078  20242.97   796.797  20625.19   1125.23  19858.55   1128.46  194.874 5.3311  191.206 5.4490  3.668320       7.623130  
1 1 1 6   9   21 o 116.445 3.5576  7354.43    448.697  8139.04    552.766  5838.78    768.273  122.464 4.1674  103.308 6.9059  19.15613       8.065913  
1 1 1 6   9   22 o 258.440 6.6732  36410.60   1867.94  32940.82   2640.59  39886.00   2642.73  244.831 9.9578  269.751 9.0452  -24.91960      13.45269  
1 1 1 6   9   23 o 74.708  3.7871  3038.83    305.436  3701.19    516.980  2683.65    378.572  82.192  5.8454  70.044  5.0234  12.14729       7.707384  
1 1 1 6   9   24 o 233.756 4.9091  29790.91   1242.90  30680.95   1759.94  28905.36   1755.50  236.464 6.8717  229.434 7.0644  7.029404       9.855227  
1 1 1 6   9   25 o 115.903 3.0184  7301.18    378.909  6961.42    526.799  7665.35    545.403  112.964 4.3056  118.549 4.2476  -5.585442      6.048209  
1 1 1 6   9   26 o 73.699  3.1603  2957.02    252.264  2866.29    354.936  3049.63    358.602  72.215  4.5613  74.520  4.4635  -2.305061      6.381907  
1 1 1 6   9   27 o 61.927  3.4709  2099.85    231.866  2370.58    347.515  1882.63    311.284  65.458  4.9380  58.281  4.9790  7.176353       7.012467  
1 1 1 6   9   28 o 37.634  1.5248  768.491    62.152   546.211    88.251   987.231    87.546   31.564  2.6047  42.633  1.8959  -11.06855      3.221619  
1 1 1 6   9   29 o 64.161  3.8864  2272.24    268.802  2474.73    369.028  2043.36    392.329  66.501  5.1639  59.994  6.1236  6.506916       8.010276  
1 1 1 6   9   30 o 45.941  5.0097  1192.44    245.237  1464.61    336.405  883.755    358.260  50.401  6.3001  37.851  8.8902  12.54995       10.89621  
1 1 1 6   9   31 o 45.417  2.2013  1125.47    108.286  770.135    342.026  1165.06    114.159  34.941  8.9868  46.196  2.2816  -11.25554      9.271873  
1 1 1 6   9   32 o 30.908  9.4511  634.127    345.761  776.458    430.434  375.229    580.528  33.473  10.594  27.463  11.534  6.009911       15.66099  
1 1 1 6   9   33 o 17.046  7.7293  -47.7510   308.475  58.599     399.619  -204.5547  485.240  20.158  8.9958  19.182  9.0352  0.9761009      12.74987  
1 1 1 6   9   34 o 33.816  7.2606  756.916    257.985  987.127    345.289  466.000    388.153  37.288  8.7074  25.291  9.8469  11.99689       13.14458  
1 1 1 6   9   35 o 40.365  8.4992  1181.00    359.839  1350.71    476.731  956.280    548.578  39.789  10.790  30.738  11.776  9.050705       15.97182  
1 1 1 6   9   36 o 24.479  10.190  522.768    447.250  522.768    447.250  0.0000     0.0000   24.479  10.190  ?       ?       0.000000       10.19026  
1 1 1 6   10  0  o 142.148 3.0615  10946.35   471.351  10642.31   666.529  11250.49   666.654  140.136 4.3914  144.087 4.2717  -3.951218      6.126337  
1 1 1 6   10  1  o 343.979 8.3111  64234.37   3096.44  71240.67   4379.72  57232.52   4378.33  361.896 11.174  324.195 12.469  37.70099       16.74291  
1 1 1 6   10  2  o 377.036 9.1205  77207.04   3724.52  76542.99   5267.39  77871.02   5267.13  374.860 12.973  378.117 12.861  -3.256897      18.26798  
1 1 1 6   10  3  o 295.827 5.1586  47434.48   1652.87  43123.25   2337.17  51748.21   2337.84  281.916 7.6542  308.873 6.9882  -26.95767      10.36445  
1 1 1 6   10  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   10  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   10  6  o 378.767 6.4753  77753.80   2656.45  75093.20   3756.92  80414.01   3756.66  372.075 9.3225  385.052 9.0077  -12.97684      12.96328  
1 1 1 6   10  7  o 357.631 6.0875  69305.27   2358.01  70014.95   3335.01  68595.84   3334.44  359.353 8.5685  355.688 8.6553  3.664673       12.17925  
1 1 1 6   10  8  o 271.310 4.8466  39877.73   1424.22  40222.80   2014.58  39532.94   2013.71  272.432 6.8274  270.084 6.8838  2.347992       9.695372  
1 1 1 6   10  9  o 284.806 5.0755  43946.45   1565.67  45054.07   2214.45  42839.33   2213.95  288.314 7.0913  281.133 7.2709  7.181641       10.15640  
1 1 1 6   10  10 f 445.489 8.0052  107600.10  3862.57  109946.80  5057.79  104316.30  5983.06  450.145 10.374  438.267 12.604  11.87860       16.32426  
1 1 1 6   10  11 o 619.770 10.115  208447.41  6790.22  217600.50  9603.36  199296.41  9602.28  632.633 14.015  605.330 14.646  27.30219       20.27131  
1 1 1 6   10  12 o 290.046 7.2402  45616.55   2274.51  46857.30   3217.17  44376.62   3216.11  293.787 10.110  285.885 10.386  7.901947       14.49485  
1 1 1 6   10  13 o 584.728 10.452  185781.70  6619.63  196256.80  8651.11  170985.50  10281.78 600.364 13.304  559.432 16.969  40.93225       21.56248  
1 1 1 6   10  14 o 298.991 5.6081  48470.96   1816.11  45450.75   2787.98  50697.20   2393.62  289.260 8.8988  305.657 7.2302  -16.39719      11.46578  
1 1 1 6   10  15 o 108.970 3.2960  6434.10    389.018  6539.13    481.795  6237.36    659.401  109.841 4.0497  107.083 5.7059  2.758263       6.997013  
1 1 1 6   10  16 o 223.396 4.8249  27063.77   1167.45  27137.57   1650.95  26989.96   1651.08  223.547 6.8186  222.937 6.8378  0.6105194      9.656554  
1 1 1 6   10  17 o 274.828 4.9028  40972.18   1459.40  40294.28   2063.52  41650.57   2064.29  272.309 6.9964  276.869 6.8838  -4.560059      9.815105  
1 1 1 6   10  18 o 150.513 3.3677  12279.63   549.013  11806.80   805.208  12690.41   750.517  147.503 5.0401  152.954 4.5303  -5.449951      6.776888  
1 1 1 6   10  19 f 68.146  2.5937  2516.46    191.441  2529.96    232.418  2487.98    337.618  68.319  3.1409  67.556  4.6423  0.7633591      5.605046  
1 1 1 6   10  20 o 135.968 3.2245  10022.49   474.870  9514.68    682.380  10499.35   661.252  132.396 4.7586  139.102 4.3890  -6.706131      6.473608  
1 1 1 6   10  21 o 240.665 6.3114  31519.43   1645.17  33330.82   2327.73  29711.47   2325.52  246.944 8.7029  233.022 9.2141  13.92227       12.67440  
1 1 1 6   10  22 o 224.784 6.0235  27512.97   1466.50  27008.33   2074.02  28017.53   2073.87  222.081 8.6225  226.238 8.4634  -4.156921      12.08206  
1 1 1 6   10  23 o 152.756 3.4038  12666.05   563.157  12535.93   768.106  12817.31   828.123  151.815 4.6713  153.464 4.9822  -1.648666      6.829559  
1 1 1 6   10  24 o 75.811  2.3823  3117.44    195.610  3181.19    278.260  3055.16    275.037  76.521  3.3574  74.988  3.3863  1.533203       4.768567  
1 1 1 6   10  25 o 159.651 3.4417  13868.89   595.136  13849.53   804.424  13892.30   884.572  159.225 4.6645  159.328 5.1259  -0.1027069     6.930541  
1 1 1 6   10  26 f 135.428 3.1976  9986.87    469.039  9511.68    660.916  10469.04   665.754  131.774 4.6307  138.308 4.4442  -6.534592      6.418298  
1 1 1 6   10  27 o 47.204  2.0825  1210.18    106.471  1305.95    308.882  1197.27    113.423  48.171  6.0539  46.941  2.2309  1.229893       6.451866  
1 1 1 6   10  28 o 49.140  2.4096  1314.01    128.249  1268.52    139.794  1555.79    322.289  48.179  2.6896  52.592  5.7516  -4.413124      6.349427  
1 1 1 6   10  29 o 34.478  1.7532  647.494    65.254   653.574    66.572   498.407    329.634  34.637  1.7805  29.052  9.2792  5.585377       9.448513  
1 1 1 6   10  30 o 17.815  7.2083  97.396     215.778  539.780    294.272  -417.0834  317.346  29.732  8.6299  14.439  6.9408  15.29319       11.07475  
1 1 1 6   10  31 o 36.019  6.2965  763.602    236.697  472.006    323.690  1098.72    347.004  27.817  9.2179  42.556  7.8165  -14.73914      12.08578  
1 1 1 6   10  32 o 4.4395  2.2364  -155.3379  49.490   -167.2937  49.865   630.405    404.251  4.3413  2.1940  30.546  10.304  -26.20516      10.53504  
1 1 1 6   10  33 o 64.535  2.9240  2316.03    204.380  1806.40    513.841  2411.81    222.759  50.408  9.7642  65.731  3.1289  -15.32314      10.25332  
1 1 1 6   10  34 o 40.526  2.7965  919.255    121.999  1650.43    472.231  866.964    126.286  47.528  9.5056  39.259  2.9924  8.268269       9.965543  
1 1 1 6   10  35 o 4.2640  2.1005  -72.1180   34.443   124.994    415.815  -73.4798   34.562   20.002  9.0302  4.2499  2.0956  15.75176       9.270219  
1 1 1 6   10  36 o 21.544  9.5133  293.482    435.248  293.482    435.248  0.0000     0.0000   21.544  9.5133  ?       ?       0.000000       9.513263  
1 1 1 6   11  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   11  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   11  2  o 86.944  2.6392  4094.67    248.531  4338.09    351.560  3851.48    351.392  89.481  3.6274  84.311  3.8480  5.170227       5.288236  
1 1 1 6   11  3  o 387.548 9.3189  81558.77   3911.66  85525.25   5532.37  77593.55   5531.48  396.371 12.887  377.444 13.531  18.92697       18.68539  
1 1 1 6   11  4  o 257.255 4.5337  35859.83   1263.24  35296.54   1786.49  36423.12   1786.49  255.153 6.4644  259.198 6.3636  -4.044449      9.071048  
1 1 1 6   11  5  o 345.132 5.9460  64557.67   2222.70  64998.83   3143.64  64116.65   3143.12  346.177 8.3842  343.817 8.4404  2.360779       11.89689  
1 1 1 6   11  6  o 272.773 4.8777  40311.29   1441.09  39561.25   2038.29  41060.91   2037.72  270.164 6.9658  275.241 6.8354  -5.077393      9.759308  
1 1 1 6   11  7  o 669.845 22.227  244862.59  16126.13 0.0000     0.0000   244862.59  16126.13 ?       ?       669.845 22.227  0.000000       22.22726  
1 1 1 6   11  8  o 215.968 4.0887  25265.78   956.416  25034.87   1352.78  25496.55   1352.38  214.950 5.8106  216.924 5.7560  -1.974030      8.178872  
1 1 1 6   11  9  o 317.378 5.5363  54577.75   1903.11  52857.95   2691.31  56297.80   2691.51  312.253 7.9577  322.263 7.7111  -10.01056      11.08088  
1 1 1 6   11  10 o 384.031 6.4847  79928.91   2697.29  81760.13   3814.79  78098.16   3814.31  388.264 9.0714  379.456 9.2808  8.807800       12.97777  
1 1 1 6   11  11 o 186.517 4.2074  18846.60   849.961  18264.68   1470.87  19138.34   1041.45  183.545 7.3988  187.939 5.1162  -4.393311      8.995461  
1 1 1 6   11  12 o 206.391 4.3632  23079.55   975.371  24182.48   1196.30  20892.59   1684.56  211.244 5.2286  196.264 7.9246  14.98021       9.494066  
1 1 1 6   11  13 o 105.042 2.7221  5976.77    309.695  5875.90    439.907  6075.89    436.068  104.139 3.9001  105.898 3.8019  -1.758636      5.446571  
1 1 1 6   11  14 o 310.303 5.2876  52202.30   1777.12  52377.10   2513.14  52027.48   2513.31  310.652 7.4692  309.612 7.4948  1.040863       10.58111  
1 1 1 6   11  15 o 229.985 4.9177  28678.80   1224.99  28694.68   1499.86  28646.99   2123.02  229.979 6.0213  229.579 8.5379  0.4003906      10.44759  
1 1 1 6   11  16 o 249.334 5.2302  33721.95   1412.43  33343.29   2446.89  33911.16   1729.69  247.518 9.1272  249.932 6.3896  -2.414322      11.14150  
1 1 1 6   11  17 o 234.841 4.3317  29906.14   1101.81  30046.39   1557.85  29765.77   1558.54  235.237 6.1143  234.133 6.1459  1.104279       8.669329  
1 1 1 6   11  18 o 303.100 5.2972  49864.92   1739.02  47016.37   2456.97  52724.51   2461.73  293.942 7.7174  311.353 7.2999  -17.41089      10.62292  
1 1 1 6   11  19 o 313.080 5.4964  53227.80   1863.81  53429.19   2636.27  53026.55   2635.40  313.245 7.7703  312.056 7.7973  1.188477       11.00792  
1 1 1 6   11  20 o 141.316 4.5841  10838.39   701.649  10543.56   992.790  11132.62   991.774  139.221 6.5839  143.075 6.4000  -3.853714      9.181885  
1 1 1 6   11  21 o 256.560 6.6272  35839.17   1841.58  38225.78   2605.46  33456.45   2603.33  264.336 9.1003  247.119 9.7264  17.21678       13.31988  
1 1 1 6   11  22 o 195.898 3.8532  20829.64   817.556  21074.31   1150.69  20580.23   1161.78  196.832 5.3975  194.492 5.5151  2.339966       7.716849  
1 1 1 6   11  23 o 149.496 3.3638  12131.00   544.671  11850.57   767.511  12415.50   773.083  147.583 4.8015  151.071 4.7247  -3.487946      6.736253  
1 1 1 6   11  24 o 56.646  3.6259  1751.38    221.296  1937.64    309.402  1556.30    316.643  59.421  4.8497  53.083  5.5915  6.337971       7.401636  
1 1 1 6   11  25 o 15.203  2.0490  127.643    32.881   123.576    33.167   360.605    251.024  14.946  2.1073  25.600  8.0892  -10.65446      8.359147  
1 1 1 6   11  26 o 107.109 3.0490  6244.14    353.720  6163.67    497.370  6326.49    503.152  106.148 4.3261  107.543 4.3196  -1.394508      6.113464  
1 1 1 6   11  27 o 130.743 3.2807  9324.37    464.570  9366.13    653.182  9281.62    660.887  130.575 4.6185  129.954 4.6954  0.6212921      6.586142  
1 1 1 6   11  28 o 118.442 3.2259  7663.52    413.840  7515.81    585.499  7810.97    585.017  116.761 4.6298  119.073 4.5361  -2.312782      6.481595  
1 1 1 6   11  29 o 40.615  1.7421  896.193    76.637   927.703    78.736   328.867    334.092  41.322  1.7592  25.332  9.2950  15.98968       9.460046  
1 1 1 6   11  30 o 48.274  4.7472  1310.57    245.000  1319.60    334.123  1300.08    360.325  47.620  6.6604  46.932  7.3280  0.6877899      9.902534  
1 1 1 6   11  31 o 47.212  4.9441  1265.33    249.068  1110.52    340.470  1443.55    365.313  42.897  7.6064  49.373  7.0299  -6.475857      10.35747  
1 1 1 6   11  32 o 38.376  6.6442  891.736    266.163  951.278    339.471  796.731    428.813  38.532  8.3733  33.797  10.557  4.735699       13.47448  
1 1 1 6   11  33 o 17.751  8.0260  -28.8051   329.869  371.532    405.191  -815.6139  568.042  24.435  9.8810  17.054  8.4253  7.381092       12.98543  
1 1 1 6   11  34 o 16.173  7.4996  -107.0698  313.360  -281.5919  408.755  141.704    488.023  16.715  7.9930  21.668  9.7827  -4.952673      12.63283  
1 1 1 6   11  35 o 38.663  8.6779  1100.92    354.480  1033.92    465.263  1193.63    547.288  33.694  11.046  34.522  11.980  -0.8277473     16.29477  
1 1 1 6   11  36 f 17.375  8.2324  -111.3144  413.819  -111.3144  413.819  0.0000     0.0000   17.375  8.2324  ?       ?       0.000000       8.232354  
1 1 1 6   12  0  o 225.901 3.6879  27649.02   902.333  28361.19   1164.67  26579.69   1427.14  228.758 4.7006  221.406 5.9513  7.352127       7.583759  
1 1 1 6   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   12  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   12  3  o 526.779 17.687  151680.00  10091.68 0.0000     0.0000   151680.00  10091.68 ?       ?       526.779 17.687  0.000000       17.68744  
1 1 1 6   12  4  o 473.223 11.242  121662.60  5761.99  120978.40  8148.86  122346.80  8148.50  471.126 15.969  473.801 15.879  -2.674225      22.52003  
1 1 1 6   12  5  o 216.424 4.1870  25375.04   981.467  24976.52   1388.08  25773.47   1387.93  214.677 5.9698  218.078 5.8760  -3.400574      8.376520  
1 1 1 6   12  6  o 495.748 8.3305  133252.80  4473.03  135496.30  6326.14  131009.70  6325.49  499.618 11.690  491.257 11.888  8.360809       16.67318  
1 1 1 6   12  7  o 683.422 15.950  253937.59  11806.32 257602.00  16697.16 250273.70  16696.14 687.016 22.439  677.097 22.766  9.919617       31.96598  
1 1 1 6   12  8  o 701.759 23.268  268965.50  17685.22 0.0000     0.0000   268965.50  17685.22 ?       ?       701.759 23.268  0.000000       23.26764  
1 1 1 6   12  9  o 419.234 8.1755  95288.65   3712.28  96836.29   4547.11  92195.45   6428.43  422.512 9.9363  411.887 14.410  10.62488       17.50349  
1 1 1 6   12  10 o 625.319 10.356  212176.41  7014.25  205853.70  9919.59  218499.41  9919.71  615.288 14.885  633.980 14.446  -18.69165      20.74251  
1 1 1 6   12  11 o 751.529 16.043  307498.09  13059.06 306221.19  20264.20 308405.09  17078.38 747.124 25.042  751.219 20.990  -4.094543      32.67522  
1 1 1 6   12  12 o 343.146 6.7989  63841.89   2526.90  64885.71   3095.58  61757.38   4374.52  345.843 8.2640  337.083 11.982  8.760345       14.55536  
1 1 1 6   12  13 o 231.733 4.5270  29100.59   1136.24  29487.94   1508.26  28592.27   1727.80  233.214 5.9711  229.599 6.9479  3.615433       9.161165  
1 1 1 6   12  14 o 44.260  3.1161  1066.56    148.427  1123.30    215.590  1015.44    204.653  45.308  4.4507  43.055  4.4529  2.252934       6.295800  
1 1 1 6   12  15 o 266.186 6.1036  38444.30   1759.70  38213.53   1963.05  39388.30   3970.24  265.323 6.8310  268.070 13.720  -2.747284      15.32655  
1 1 1 6   12  16 o 112.403 3.3871  6846.95    412.357  6634.78    716.986  6951.82    504.064  110.402 6.0187  113.242 4.1097  -2.839844      7.287972  
1 1 1 6   12  17 o 227.318 4.9119  28031.95   1209.36  26630.47   1711.42  29429.73   1709.16  221.352 7.1384  232.736 6.7803  -11.38422      9.845301  
1 1 1 6   12  18 o 395.007 6.7511  84811.49   2888.36  83570.31   4083.91  86053.70   4085.60  391.359 9.6345  397.173 9.4974  -5.814240      13.52867  
1 1 1 6   12  19 o 235.097 6.1832  30036.25   1574.47  28754.30   2225.94  31319.80   2227.33  229.589 8.9514  239.683 8.5798  -10.09399      12.39921  
1 1 1 6   12  20 o 148.383 4.8583  11952.75   780.795  12855.04   1038.63  10780.18   1184.02  153.760 6.2366  140.431 7.8154  13.32883       9.998780  
1 1 1 6   12  21 f 121.821 4.4810  8056.78    591.249  7653.17    831.096  8470.36    841.302  118.392 6.5062  124.765 6.2257  -6.372948      9.005033  
1 1 1 6   12  22 o 184.950 4.0896  18572.36   819.232  18952.82   1154.95  18187.09   1162.22  186.607 5.7143  182.773 5.8709  3.833923       8.192761  
1 1 1 6   12  23 o 279.012 5.0035  42376.07   1512.05  42921.24   2137.30  41829.80   2139.44  280.095 7.0451  276.471 7.1446  3.623993       10.03392  
1 1 1 6   12  24 o 57.056  3.6118  1776.72    222.051  1762.11    309.496  1792.22    318.763  56.602  5.1033  57.068  5.2147  -0.4663429     7.296371  
1 1 1 6   12  25 o 147.956 3.3931  11911.45   543.750  11865.17   791.473  11952.82   748.300  147.273 4.9618  147.901 4.6713  -0.6275024     6.814731  
1 1 1 6   12  26 f 36.351  5.3191  741.210    203.225  1073.62    315.001  504.200    265.985  43.465  6.9235  29.510  8.0834  13.95456       10.64312  
1 1 1 6   12  27 o 120.385 3.2103  7903.54    418.589  7592.29    592.015  8214.71    591.933  117.542 4.6502  122.334 4.4674  -4.791504      6.448411  
1 1 1 6   12  28 o 154.551 3.6041  13077.72   603.302  13003.92   827.525  13161.46   881.417  153.357 4.9821  154.087 5.2814  -0.7301025     7.260417  
1 1 1 6   12  29 o 41.839  5.2946  990.085    234.556  974.668    319.009  1008.23    346.064  40.678  7.5175  41.163  8.0505  -0.4851074     11.01466  
1 1 1 6   12  30 o 35.413  2.0456  685.139    78.124   681.477    80.256   751.349    341.239  35.308  2.1083  34.791  8.9909  0.5170097      9.234766  
1 1 1 6   12  31 o 38.453  5.9104  860.946    238.278  923.190    324.912  788.516    350.493  38.812  7.9952  35.262  9.1117  3.550121       12.12210  
1 1 1 6   12  32 o 26.872  7.6429  456.055    233.024  332.839    317.674  599.580    342.856  24.047  9.0183  29.987  9.4514  -5.939402      13.06367  
1 1 1 6   12  33 o 43.864  2.7266  1070.43    128.899  1040.19    134.561  1407.20    449.056  43.165  2.8949  44.434  9.6103  -1.269180      10.03682  
1 1 1 6   12  34 o 23.301  9.1990  362.029    342.760  125.478    423.827  809.232    582.744  20.726  9.2557  29.725  11.910  -8.999462      15.08329  
1 1 1 6   12  35 o 25.898  9.3386  533.514    335.126  662.725    438.289  351.635    519.998  27.356  10.515  23.147  10.301  4.209282       14.71970  
1 1 1 6   12  36 o 20.269  9.1402  185.974    424.570  185.974    424.570  0.0000     0.0000   20.269  9.1402  ?       ?       0.000000       9.140247  
1 1 1 6   13  0  o 65.349  2.3697  2313.15    167.729  2337.34    192.211  2235.93    343.437  65.688  2.7016  64.035  4.9912  1.653610       5.675456  
1 1 1 6   13  1  o 436.015 14.789  103703.10  6984.31  0.0000     0.0000   103703.10  6984.31  ?       ?       436.015 14.789  0.000000       14.78944  
1 1 1 6   13  2  o 214.743 3.8728  24985.18   900.768  24250.68   1273.82  25719.81   1273.94  211.511 5.5604  217.830 5.3996  -6.318558      7.750702  
1 1 1 6   13  3  o 280.847 4.9780  42744.72   1514.23  42365.51   2141.36  43123.99   2141.52  279.499 7.0736  281.993 7.0115  -2.494354      9.959790  
1 1 1 6   13  4  f 414.080 9.8326  93067.85   4409.83  81438.83   6235.88  104701.00  6236.99  386.777 14.886  438.806 13.123  -52.02908      19.84424  
1 1 1 6   13  5  o 329.343 5.7070  58777.37   2035.74  59430.79   2879.16  58124.12   2878.79  331.066 8.0294  327.401 8.1182  3.664246       11.41823  
1 1 1 6   13  6  o 257.159 4.5589  35825.43   1269.79  35746.25   1796.09  35904.55   1795.41  256.830 6.4567  257.399 6.4400  -0.5685425     9.119381  
1 1 1 6   13  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   13  8  o 388.262 7.1208  81703.07   2994.50  81259.98   3926.62  82318.94   4629.32  387.094 9.3655  389.508 10.973  -2.413361      14.42647  
1 1 1 6   13  9  o 710.384 13.567  274144.91  10438.60 279192.59  18081.47 271621.69  12784.17 714.712 23.358  706.539 16.706  8.172668       28.71707  
1 1 1 6   13  10 o 592.792 9.8137  190643.00  6300.96  193319.80  8911.16  187966.59  8910.66  596.419 13.795  588.074 13.990  8.345215       19.64701  
1 1 1 6   13  11 o 573.607 10.837  178626.00  6732.48  169534.20  11659.39 183173.70  8246.14  557.319 19.315  580.529 13.115  -23.21021      23.34686  
1 1 1 6   13  12 o 297.077 5.9335  47838.22   1909.21  48156.98   2339.20  47202.18   3304.28  297.998 7.2474  294.820 10.348  3.177856       12.63341  
1 1 1 6   13  13 o 322.053 5.5567  56225.68   1938.29  57162.56   2741.05  55288.65   2741.25  324.567 7.7973  319.192 7.9292  5.375122       11.12065  
1 1 1 6   13  14 o 331.637 5.5468  59636.79   1992.39  62285.67   2818.04  56989.33   2817.28  338.725 7.6812  323.968 8.0289  14.75763       11.11148  
1 1 1 6   13  15 o 203.333 4.9381  22418.40   1087.52  22392.23   1391.88  22459.41   1742.47  203.133 6.3263  203.319 7.9126  -0.1861420     10.13071  
1 1 1 6   13  16 o 246.161 5.6753  32880.09   1513.14  32730.70   3364.87  32917.96   1694.09  244.308 12.761  246.242 6.3519  -1.934341      14.25410  
1 1 1 6   13  17 o 80.300  2.6105  3493.71    227.047  3265.30    358.794  3646.27    293.225  77.480  4.2922  82.023  3.3006  -4.542595      5.414558  
1 1 1 6   13  18 o 157.770 3.3903  13492.69   579.346  12863.40   816.600  14130.43   822.065  153.969 4.8967  161.386 4.7029  -7.417038      6.789380  
1 1 1 6   13  19 o 166.696 4.9405  15082.11   892.006  14542.70   1260.90  15622.54   1262.08  163.491 7.1206  169.479 6.8754  -5.987717      9.898182  
1 1 1 6   13  20 o 278.862 7.0742  42333.90   2136.68  39962.04   3020.68  44709.02   3022.76  270.143 10.324  285.905 9.7614  -15.76193      14.20796  
1 1 1 6   13  21 o 242.773 4.4640  31997.57   1173.79  31334.41   1658.14  32663.69   1661.85  239.934 6.3806  244.993 6.2628  -5.059052      8.940618  
1 1 1 6   13  22 o 110.450 3.0951  6616.40    370.261  6782.15    518.804  6444.33    528.591  111.749 4.2864  108.915 4.4808  2.833061       6.200889  
1 1 1 6   13  23 o 172.980 3.7791  16252.93   708.038  16793.95   957.998  15601.63   1051.10  175.632 5.0361  169.149 5.7373  6.482803       7.634008  
1 1 1 6   13  24 o 190.161 3.7894  19666.99   780.476  19301.19   1101.38  20035.97   1106.16  187.968 5.4098  191.536 5.3321  -3.568146      7.595850  
1 1 1 6   13  25 o 86.655  2.7518  4079.54    258.278  4250.74    333.622  3823.47    408.032  88.370  3.4856  83.547  4.5260  4.823563       5.712658  
1 1 1 6   13  26 o 81.539  3.1531  3620.39    278.468  4105.08    401.352  3170.48    386.685  86.628  4.2776  75.906  4.7269  10.72197       6.375021  
1 1 1 6   13  27 o 33.238  5.9156  629.732    205.159  615.328    288.097  644.552    292.224  32.356  8.2080  33.113  8.1928  -0.7563477     11.59712  
1 1 1 6   13  28 o 74.264  2.7330  3005.75    219.827  3017.91    385.346  2999.88    267.650  73.764  4.8503  74.076  3.3359  -0.3124466     5.886733  
1 1 1 6   13  29 o 87.128  2.8436  4146.57    268.347  3650.31    436.431  4448.23    340.269  80.881  5.0066  90.046  3.4889  -9.165237      6.102282  
1 1 1 6   13  30 o 41.307  2.2236  932.774    99.118   938.306    103.323  868.922    351.042  41.414  2.3127  37.511  8.7933  3.902390       9.092301  
1 1 1 6   13  31 o 37.091  6.0970  806.047    236.426  534.610    320.945  1128.12    349.604  29.249  9.1326  43.115  7.7724  -13.86624      11.99227  
1 1 1 6   13  32 o 30.308  7.2893  575.836    236.353  584.148    322.319  566.166    347.621  29.681  9.1333  29.147  9.5474  0.5337658      13.21250  
1 1 1 6   13  33 o 23.735  8.1917  371.348    255.740  273.290    321.074  541.525    422.974  22.043  8.8371  27.246  10.364  -5.202816      13.61976  
1 1 1 6   13  34 o 21.239  8.9663  231.892    353.783  -32.7021   415.069  934.714    676.478  18.946  8.7308  30.635  12.623  -11.68903      15.34827  
1 1 1 6   13  35 o 23.431  9.2878  410.536    350.738  626.784    431.536  -10.3407   602.030  26.787  10.396  20.765  9.8649  6.021877       14.33124  
1 1 1 6   13  36 o 13.995  6.9373  -585.8640  396.976  -585.8640  396.976  0.0000     0.0000   13.995  6.9373  ?       ?       0.000000       6.937279  
1 1 1 6   14  0  o 281.071 4.9235  42816.73   1498.85  42048.49   1730.00  45129.19   3001.48  278.499 5.7352  288.244 9.6140  -9.744507      11.19476  
1 1 1 6   14  1  o 383.941 9.1636  80040.59   3810.65  69831.33   5388.35  90255.36   5389.80  358.011 13.896  407.290 12.218  -49.27924      18.50342  
1 1 1 6   14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   14  3  o 314.275 5.6092  53532.00   1909.31  51344.06   2700.07  55720.25   2700.27  307.649 8.1031  320.513 7.7784  -12.86423      11.23227  
1 1 1 6   14  4  o 257.001 4.7661  35787.19   1326.68  35584.69   1876.09  35989.75   1876.34  256.208 6.7607  257.664 6.7234  -1.455566      9.534698  
1 1 1 6   14  5  o 368.612 6.3241  73637.11   2524.85  72324.17   3570.90  74949.72   3570.45  365.172 9.0284  371.751 8.8675  -6.579041      12.65479  
1 1 1 6   14  6  o 111.150 2.8455  6691.35    342.561  6002.28    485.237  7375.98    483.676  105.263 4.2561  116.691 3.8269  -11.42859      5.723562  
1 1 1 6   14  7  o 749.908 17.495  305974.50  14209.93 302938.41  20096.29 309010.41  20095.46 744.393 24.925  751.887 24.676  -7.493774      35.07398  
1 1 1 6   14  8  o 418.026 7.0763  94709.66   3203.89  95633.26   4531.30  93786.33   4530.67  419.895 9.9635  415.814 10.060  4.080811       14.15885  
1 1 1 6   14  9  o 119.363 2.8294  7716.78    365.793  7988.82    517.260  7444.64    517.357  121.441 3.9326  117.230 4.0746  4.210274       5.662776  
1 1 1 6   14  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   14  11 o 390.533 9.4067  82752.95   3978.93  84203.47   5627.08  81302.45   5627.04  393.578 13.200  386.712 13.434  6.865204       18.83434  
1 1 1 6   14  12 o 420.325 7.0498  95805.25   3209.48  98174.36   4539.08  93436.55   4538.69  425.221 9.8556  414.806 10.102  10.41452       14.11336  
1 1 1 6   14  13 o 226.723 4.4035  27855.75   1081.36  29874.78   1437.36  25222.79   1641.41  234.747 5.6532  215.634 7.0280  19.11284       9.019485  
1 1 1 6   14  14 o 299.737 5.1595  48708.84   1675.02  50866.37   2368.79  46551.16   2368.87  306.146 7.1438  292.843 7.4685  13.30283       10.33503  
1 1 1 6   14  15 o 389.499 7.5935  82408.39   3203.46  81837.09   3922.99  83551.77   5549.80  387.846 9.3387  391.022 13.104  -3.176453      16.09123  
1 1 1 6   14  16 o 274.791 5.6998  40974.86   1696.41  43921.46   2936.72  39499.22   2078.22  283.987 9.5476  269.647 7.1158  14.33972       11.90765  
1 1 1 6   14  17 o 243.172 4.4646  32069.82   1175.90  31257.49   1661.63  32884.80   1664.33  239.890 6.3951  246.073 6.2446  -6.182220      8.938298  
1 1 1 6   14  18 o 124.184 4.3243  8364.45    581.642  9034.93    808.110  7643.75    837.828  128.987 5.7843  118.416 6.5580  10.57142       8.744505  
1 1 1 6   14  19 o 109.071 4.2248  6453.12    499.100  6083.38    704.609  6825.44    707.065  105.621 6.1862  111.937 5.8523  -6.315453      8.515804  
1 1 1 6   14  20 o 372.614 6.3589  75511.75   2566.32  70537.09   3627.77  80494.98   3630.90  359.252 9.3233  383.989 8.7302  -24.73712      12.77265  
1 1 1 6   14  21 o 151.606 3.4369  12465.70   564.356  11924.81   821.503  12949.10   776.628  148.147 5.1197  154.423 4.6433  -6.276505      6.911742  
1 1 1 6   14  22 o 82.707  3.1426  3710.23    281.513  3563.16    392.596  3865.89    403.884  80.861  4.5005  84.242  4.4422  -3.381699      6.323565  
1 1 1 6   14  23 o 194.748 3.8641  20604.98   815.067  20352.12   1150.06  20860.17   1155.32  193.235 5.4949  195.642 5.4522  -2.406723      7.740850  
1 1 1 6   14  24 o 101.234 3.0559  5565.77    335.076  5474.27    468.439  5661.64    479.491  100.258 4.3138  101.956 4.3421  -1.697639      6.120703  
1 1 1 6   14  25 o 99.782  2.8914  5411.22    312.479  5378.85    420.457  5451.17    467.028  99.336  3.9079  99.930  4.3149  -0.5942993     5.821564  
1 1 1 6   14  26 o 82.607  3.1424  3715.92    281.155  3838.26    403.920  3600.93    391.591  83.605  4.4769  80.970  4.4827  2.635124       6.335349  
1 1 1 6   14  27 o 129.542 3.2741  9155.70    459.384  8444.83    645.658  9884.51    653.752  123.879 4.8121  134.157 4.4991  -10.27835      6.587751  
1 1 1 6   14  28 o 45.168  4.5307  1134.96    218.658  1456.31    308.244  809.472    310.224  50.862  5.6930  37.026  7.9715  13.83617       9.795713  
1 1 1 6   14  29 o 27.211  7.2978  438.770    219.515  324.732    296.229  577.659    326.916  24.687  8.7931  30.904  9.1323  -6.216812      12.67742  
1 1 1 6   14  30 o 38.084  1.1676  786.895    48.162   248.028    294.783  801.674    48.818   22.762  8.6533  38.439  1.1725  -15.67702      8.732336  
1 1 1 6   14  31 o 56.897  1.8305  1762.68    112.806  2160.37    158.524  1354.71    160.561  62.885  2.3274  49.567  3.0049  13.31797       3.800873  
1 1 1 6   14  32 o 36.772  2.2457  743.461    89.013   1037.60    330.352  720.435    92.431   40.566  7.8021  36.165  2.3729  4.401142       8.154918  
1 1 1 6   14  33 o 23.541  1.7993  304.961    45.529   -301.8603  305.872  318.711    46.042   14.339  6.8719  24.073  1.7784  -9.734239      7.098333  
1 1 1 6   14  34 o 21.514  8.5785  280.090    300.852  603.965    414.427  -80.7585   437.443  27.572  10.308  18.869  8.7869  8.703316       13.54512  
1 1 1 6   14  35 o 32.556  9.7364  865.255    369.922  792.759    449.961  1016.43    649.770  29.397  10.787  30.004  12.368  -0.6077900     16.41136  
1 1 1 6   14  36 o 17.352  8.2195  -111.2815  412.084  -111.2815  412.084  0.0000     0.0000   17.352  8.2195  ?       ?       0.000000       8.219474  
1 1 1 6   15  0  o 146.482 3.0604  11623.31   485.546  11292.33   559.632  12630.99   976.490  144.373 3.5789  152.640 5.9065  -8.266647      6.906147  
1 1 1 6   15  1  o 140.454 4.3088  10689.18   655.477  12024.55   927.872  9358.91    926.100  148.937 5.7520  131.378 6.5083  17.55934       8.685770  
1 1 1 6   15  2  o 450.386 10.731  110197.60  5234.89  105515.60  7403.19  114879.80  7403.31  439.959 15.536  459.190 14.885  -19.23087      21.51608  
1 1 1 6   15  3  o 509.395 12.051  141012.50  6648.76  140349.09  9402.96  141675.80  9402.58  507.302 17.113  509.711 17.032  -2.408905      24.14392  
1 1 1 6   15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   15  5  o 153.995 3.4588  12845.24   576.907  11880.46   816.113  13808.87   815.628  148.081 5.0884  159.652 4.7168  -11.57141      6.938288  
1 1 1 6   15  6  o 680.535 15.921  251793.59  11735.54 234561.59  16596.69 269025.09  16596.43 655.353 23.382  702.229 21.821  -46.87640      31.98187  
1 1 1 6   15  7  o 688.547 22.837  258803.00  17030.75 258803.00  17030.75 0.0000     0.0000   688.547 22.837  ?       ?       0.000000       22.83654  
1 1 1 6   15  8  o 488.257 8.1130  129240.20  4290.41  132717.50  6067.89  125763.60  6067.21  494.532 11.329  481.375 11.637  13.15756       16.24043  
1 1 1 6   15  9  o 161.299 3.3602  14092.44   587.039  14159.77   830.235  14025.12   830.164  161.668 4.7414  160.897 4.7637  0.7708282      6.721154  
1 1 1 6   15  10 o 302.427 6.0682  49566.34   1987.69  50142.18   3440.01  49277.73   2435.40  303.968 10.449  301.491 7.4580  2.477173       12.83735  
1 1 1 6   15  11 o 149.317 3.8752  12078.17   626.723  11829.44   790.724  12498.43   1027.83  147.756 4.9409  151.852 6.2493  -4.095993      7.966610  
1 1 1 6   15  12 o 674.710 11.026  247360.70  8057.53  246691.70  11395.02 248029.70  11395.13 672.658 15.641  674.492 15.598  -1.833862      22.08907  
1 1 1 6   15  13 o 481.497 8.6812  125878.70  4527.33  129159.10  7019.33  123542.00  5924.29  486.882 13.311  476.547 11.478  10.33472       17.57602  
1 1 1 6   15  14 o 253.544 4.4585  34843.29   1224.38  35642.00   1731.81  34045.10   1731.25  256.328 6.2378  250.510 6.3806  5.817795       8.923185  
1 1 1 6   15  15 o 222.762 5.2713  26913.43   1271.83  26149.99   1430.43  29794.79   2778.95  219.530 6.0159  233.804 10.974  -14.27338      12.51466  
1 1 1 6   15  16 o 150.223 3.8349  12232.40   623.965  12368.03   1076.31  12163.75   765.779  150.919 6.5845  149.765 4.7209  1.153168       8.102017  
1 1 1 6   15  17 o 133.860 4.5397  9718.44    658.182  10287.76   892.015  9038.05    975.151  137.648 5.9832  128.765 7.0185  8.883698       9.222706  
1 1 1 6   15  18 o 161.269 4.8369  14111.79   844.863  14567.85   1194.68  13655.51   1194.95  163.705 6.7378  158.476 6.9618  5.229126       9.688354  
1 1 1 6   15  19 o 164.701 4.2538  14715.01   758.828  14536.02   1506.19  14775.90   878.459  163.059 8.5582  164.995 4.9157  -1.935471      9.869504  
1 1 1 6   15  20 o 149.846 3.3398  12174.38   542.042  12341.94   787.466  12023.50   747.242  150.776 4.8220  148.832 4.6355  1.943787       6.688776  
1 1 1 6   15  21 o 251.431 4.8237  34336.40   1313.61  32756.12   2000.02  35535.29   1742.03  245.059 7.5352  255.519 6.2945  -10.46007      9.818353  
1 1 1 6   15  22 o 36.983  2.0445  743.461    81.575   984.314    271.183  719.499    85.537   42.073  6.1312  36.371  2.1814  5.702576       6.507689  
1 1 1 6   15  23 o 138.847 3.2380  10464.25   486.953  10113.01   684.350  10824.46   693.043  136.333 4.6345  141.061 4.5361  -4.727890      6.485000  
1 1 1 6   15  24 o 148.076 3.3430  11915.42   536.158  11470.57   732.332  12429.31   787.112  145.050 4.6615  150.956 4.8141  -5.906570      6.701102  
1 1 1 6   15  25 o 25.142  1.1055  342.517    30.103   346.001    30.328   109.484    248.046  25.270  1.1081  19.449  7.7779  5.820967       7.856461  
1 1 1 6   15  26 o 65.592  3.4232  2351.59    242.349  2395.84    349.247  2310.49    336.571  65.886  4.9298  64.718  4.8365  1.167595       6.906122  
1 1 1 6   15  27 o 37.089  5.4917  776.098    213.938  623.586    287.673  964.826    320.011  32.558  8.1708  40.827  7.5137  -8.269154      11.10036  
1 1 1 6   15  28 o 66.377  2.6420  2400.54    189.945  2133.24    376.345  2491.91    220.024  61.656  5.7001  67.568  3.0065  -5.912079      6.444365  
1 1 1 6   15  29 o 18.925  7.3002  146.795    211.808  123.583    285.186  175.349    316.308  20.305  8.2612  21.980  8.7856  -1.674675      12.05963  
1 1 1 6   15  30 f 31.599  6.8371  594.268    227.203  528.063    308.014  673.284    336.499  29.357  8.9082  32.868  9.1274  -3.511108      12.75407  
1 1 1 6   15  31 o 13.405  6.2127  -153.1978  214.658  -310.9546  290.924  35.322     318.027  14.382  6.8397  19.300  8.3325  -4.917768      10.78017  
1 1 1 6   15  32 o 27.378  1.5448  409.463    45.620   414.191    46.039   153.098    339.008  27.535  1.5500  21.009  8.8181  6.526035       8.953312  
1 1 1 6   15  33 o 18.020  7.3586  137.194    227.331  17.071     307.999  280.948    336.935  17.808  7.9259  22.325  9.0166  -4.517162      12.00494  
1 1 1 6   15  34 o 21.049  8.4897  257.292    298.267  489.059    416.448  13.186     427.391  25.568  10.125  19.563  8.9571  6.005100       13.51838  
1 1 1 6   15  35 f 44.955  8.4612  1460.65    396.869  1238.53    479.963  1940.81    705.685  37.166  11.085  41.590  13.602  -4.423668      17.54690  
1 1 1 6   15  36 o 31.101  10.998  944.011    462.651  944.011    462.651  0.0000     0.0000   31.101  10.998  ?       ?       0.000000       10.99835  
1 1 1 6   16  0  o 133.637 2.7378  9673.50    396.271  9206.09    456.341  11106.62   799.058  130.363 3.2320  143.155 5.1535  -12.79250      6.083097  
1 1 1 6   16  1  o 285.303 7.1405  44142.57   2206.52  42010.91   3120.32  46274.70   3120.67  278.116 10.359  291.928 9.8697  -13.81161      14.30774  
1 1 1 6   16  2  o 597.638 14.047  194379.00  9092.70  188642.91  12859.03 200115.09  12859.00 587.215 20.218  604.984 19.624  -17.76886      28.17593  
1 1 1 6   16  3  o 577.122 13.563  181105.59  8477.92  172036.50  11989.47 190175.09  11989.70 561.225 19.724  590.311 18.752  -29.08612      27.21554  
1 1 1 6   16  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   16  5  o 531.748 10.391  153398.20  5984.70  152014.09  10368.01 154089.70  7328.94  528.391 18.116  532.712 12.702  -4.320801      22.12568  
1 1 1 6   16  6  o 622.616 20.694  211306.59  13955.07 211306.59  13955.07 0.0000     0.0000   622.616 20.694  ?       ?       0.000000       20.69386  
1 1 1 6   16  7  o 428.897 7.8181  99713.75   3631.83  99870.20   4757.15  99495.16   5623.15  429.089 10.236  428.143 12.126  0.9458008      15.86876  
1 1 1 6   16  8  o 618.743 11.793  207800.09  7903.56  209667.30  13691.18 206866.80  9679.20  620.122 20.384  616.997 14.484  3.125549       25.00597  
1 1 1 6   16  9  o 746.822 17.245  303623.00  13949.19 322774.31  19728.57 284477.31  19725.68 768.242 23.710  720.750 25.268  47.49225       34.65033  
1 1 1 6   16  10 o 648.898 12.357  228709.80  8684.53  234833.30  15041.32 225647.59  10636.59 655.643 21.181  644.039 15.248  11.60339       26.09880  
1 1 1 6   16  11 o 226.715 4.8726  27850.79   1196.50  28056.60   1466.68  27441.32   2068.82  227.521 5.9517  224.919 8.4923  2.602463       10.37029  
1 1 1 6   16  12 o 364.105 6.1484  71872.55   2424.70  75679.75   3430.22  68070.56   3427.88  373.442 8.4806  354.131 8.9370  19.31116       12.32034  
1 1 1 6   16  13 o 246.641 4.4092  32966.32   1177.88  34036.49   1666.81  31898.82   1664.73  250.532 6.1426  242.527 6.3375  8.005356       8.825812  
1 1 1 6   16  14 o 320.149 5.4350  55579.61   1884.63  58811.65   2665.71  52349.71   2664.82  329.134 7.4777  310.479 7.9244  18.65515       10.89553  
1 1 1 6   16  15 o 409.493 7.5670  91093.99   3356.16  90713.12   5191.38  91367.48   4399.07  407.738 11.755  409.650 9.9147  -1.911255      15.37809  
1 1 1 6   16  16 f 334.015 12.248  60992.60   4430.92  60104.81   6266.26  61880.39   6266.27  329.479 17.623  334.431 17.359  -4.952026      24.73705  
1 1 1 6   16  17 o 109.938 4.1582  6553.72    495.130  6212.79    700.602  6893.91    699.839  106.790 6.0824  112.542 5.7606  -5.752159      8.377345  
1 1 1 6   16  18 o 167.376 4.9380  15202.41   895.192  15021.64   1265.60  15383.40   1266.38  166.204 7.0305  168.201 6.9513  -1.997147      9.886761  
1 1 1 6   16  19 o 115.698 3.0153  7255.38    377.851  7276.88    532.643  7233.60    536.097  115.821 4.2460  115.474 4.2864  0.3468475      6.033364  
1 1 1 6   16  20 o 136.875 3.2248  10157.34   478.082  10158.21   671.516  10156.45   680.799  136.806 4.5319  136.790 4.5951  0.1617432E-01  6.453936  
1 1 1 6   16  21 o 130.928 3.1807  9295.34    451.046  8862.83    632.548  9742.75    643.341  127.757 4.5713  133.960 4.4340  -6.202545      6.368453  
1 1 1 6   16  22 o 151.645 3.3694  12476.78   553.406  11886.53   778.223  13080.60   787.122  147.865 4.8592  155.136 4.6845  -7.270432      6.749537  
1 1 1 6   16  23 o 107.106 3.0624  6225.61    355.256  6330.04    497.246  6116.74    507.733  107.895 4.2550  106.045 4.4206  1.850479       6.135665  
1 1 1 6   16  24 o 196.238 3.9090  20955.96   830.849  19009.98   1113.14  23403.85   1248.46  186.460 5.5118  206.867 5.5720  -20.40776      7.837584  
1 1 1 6   16  25 f 76.025  2.6807  3140.12    220.736  3122.15    274.258  3173.18    371.933  75.740  3.3432  76.067  4.5350  -0.3266220     5.634115  
1 1 1 6   16  26 o 175.271 3.6892  16765.73   700.347  15717.39   984.803  17838.43   996.176  168.970 5.3811  180.157 5.1052  -11.18686      7.417501  
1 1 1 6   16  27 o 85.076  3.2664  3949.70    300.985  3743.35    414.907  4178.92    437.289  82.372  4.6698  87.051  4.6548  -4.679268      6.593468  
1 1 1 6   16  28 o 93.977  2.9510  4819.43    300.373  4521.06    457.559  5045.38    398.186  90.384  4.6901  95.904  3.8334  -5.520065      6.057357  
1 1 1 6   16  29 o 18.746  7.2573  141.650    209.909  217.525    281.084  45.983     315.622  22.060  8.4346  19.770  8.4130  2.289646       11.91308  
1 1 1 6   16  30 o 78.953  3.5335  3433.87    302.170  3851.85    412.633  2950.52    443.724  83.015  4.6073  72.001  5.7375  11.01369       7.358391  
1 1 1 6   16  31 o 45.463  5.3147  1185.40    256.761  1128.06    360.124  1244.69    366.182  42.874  8.0508  45.274  7.7460  -2.399963      11.17208  
1 1 1 6   16  32 o 35.254  6.4802  757.291    238.320  890.244    321.261  594.590    355.389  37.129  8.2069  29.583  9.6518  7.546543       12.66926  
1 1 1 6   16  33 o 3.4258  1.7151  -75.2747   26.928   118.512    303.287  -76.8145   27.035   19.174  8.2052  3.4117  1.7096  15.76198       8.381441  
1 1 1 6   16  34 o 22.486  9.1481  316.545    349.687  455.179    415.117  -22.2229   648.915  24.991  10.038  21.945  10.371  3.046288       14.43329  
1 1 1 6   16  35 o 20.626  8.8763  233.489    358.523  441.615    419.277  -332.6430  691.508  23.888  9.8987  19.808  9.6866  4.079746       13.84971  
1 1 1 6   16  36 o 42.218  1.9437  983.259    88.879   490.594    533.691  997.312    90.138   24.014  10.573  42.513  1.9576  -18.49907      10.75224  
1 1 1 6   17  0  o 535.569 17.953  156631.00  10413.98 156631.00  10413.98 0.0000     0.0000   535.569 17.953  ?       ?       0.000000       17.95276  
1 1 1 6   17  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   17  2  o 357.994 8.6890  69524.80   3369.10  71227.03   4765.08  67823.21   4764.19  362.052 12.151  353.266 12.451  8.786499       17.39813  
1 1 1 6   17  3  o 461.638 15.560  115974.30  7780.11  0.0000     0.0000   115974.30  7780.11  ?       ?       461.638 15.560  0.000000       15.56018  
1 1 1 6   17  4  o 620.508 20.645  210085.30  13875.25 0.0000     0.0000   210085.30  13875.25 ?       ?       620.508 20.645  0.000000       20.64541  
1 1 1 6   17  5  o 367.219 6.5772  73078.04   2615.98  72703.09   3699.69  73452.92   3699.41  366.148 9.3291  368.034 9.2805  -1.885956      13.15903  
1 1 1 6   17  6  o 386.106 6.7766  80789.50   2833.93  80155.91   4008.04  81422.91   4007.54  384.453 9.6254  387.484 9.5489  -3.030884      13.55840  
1 1 1 6   17  7  o 661.637 15.472  237954.00  11087.64 238006.41  15680.91 237901.59  15679.68 660.477 21.920  660.331 21.923  0.1460571      31.00195  
1 1 1 6   17  8  o 126.256 3.0091  8634.00    411.489  8544.79    568.891  8731.89    595.916  125.594 4.1821  126.960 4.3336  -1.366234      6.022438  
1 1 1 6   17  9  o 761.273 17.607  315585.19  14517.26 332296.69  20531.97 298878.50  20529.04 779.223 24.328  738.567 25.663  40.65546       35.36133  
1 1 1 6   17  10 o 323.076 7.1147  56582.94   2489.61  58030.54   3902.83  55589.74   3232.75  326.952 11.021  320.112 9.3240  6.840057       14.43610  
1 1 1 6   17  11 o 326.834 6.5010  57906.42   2301.34  58387.16   2819.08  56946.05   3984.53  328.108 7.9327  323.782 11.362  4.326141       13.85720  
1 1 1 6   17  12 o 248.887 4.4467  33565.85   1198.69  34840.20   1695.20  32291.50   1695.20  253.499 6.1741  244.040 6.4134  9.459091       8.902342  
1 1 1 6   17  13 o 37.219  1.7333  750.274    69.874   889.407    190.380  728.615    75.116   40.267  4.4389  36.628  1.8999  3.639057       4.828420  
1 1 1 6   17  14 o 181.304 3.6347  17812.23   713.751  19872.31   963.705  15309.20   1062.27  191.465 4.6471  168.003 5.8378  23.46173       7.461591  
1 1 1 6   17  15 f 284.787 5.0491  43984.28   1557.42  46593.82   2202.42  41374.27   2202.62  292.929 6.9417  275.987 7.3685  16.94128       10.12336  
1 1 1 6   17  16 o 262.083 6.6971  37305.12   1901.05  36181.26   2687.19  38431.17   2689.81  257.709 9.6271  265.646 9.3486  -7.936829      13.41934  
1 1 1 6   17  17 o 116.668 4.2291  7381.09    534.402  7252.32    757.429  7508.73    754.099  115.404 6.0812  117.446 5.9476  -2.041695      8.506113  
1 1 1 6   17  18 o 91.847  2.9418  4571.79    292.647  4196.58    408.209  4968.55    419.763  87.961  4.2847  95.718  4.0489  -7.756943      5.895126  
1 1 1 6   17  19 o 186.296 3.7413  18819.94   754.904  19418.28   1065.27  18216.35   1069.93  189.118 5.2007  183.154 5.3935  5.963974       7.492445  
1 1 1 6   17  20 o 241.817 4.7291  31745.49   1238.62  33014.41   1642.37  30071.85   1886.18  246.392 6.1542  234.936 7.4125  11.45665       9.634278  
1 1 1 6   17  21 o 212.723 4.0905  24559.19   942.448  25468.80   1330.46  23643.09   1335.20  216.408 5.6762  208.471 5.9133  7.937927       8.196738  
1 1 1 6   17  22 o 43.212  4.3622  1024.71    201.371  996.440    275.586  1057.10    294.965  42.320  6.1958  43.569  6.4451  -1.248852      8.940184  
1 1 1 6   17  23 o 81.374  3.1181  3594.06    274.818  3469.87    381.382  3728.20    396.353  79.743  4.4332  82.665  4.4431  -2.922646      6.276494  
1 1 1 6   17  24 o 86.208  2.7818  4034.85    259.739  3709.92    398.508  4274.83    342.478  82.378  4.4832  88.662  3.5663  -6.284103      5.728722  
1 1 1 6   17  25 o 141.143 3.1531  10837.32   482.021  10552.86   672.756  11137.38   690.969  138.963 4.4698  142.760 4.4687  -3.796997      6.320492  
1 1 1 6   17  26 o 112.939 3.1919  6948.14    390.449  6319.97    541.752  7627.10    563.230  107.358 4.6590  118.016 4.4063  -10.65784      6.412627  
1 1 1 6   17  27 o 46.200  4.5076  1183.64    222.681  982.164    299.670  1432.07    332.759  41.363  6.9344  50.364  6.2332  -9.000965      9.324065  
1 1 1 6   17  28 o 19.158  7.0276  172.144    190.954  308.266    252.596  -9.3937    291.706  23.865  8.1446  18.388  7.9594  5.476879       11.38803  
1 1 1 6   17  29 o 25.004  7.0110  368.084    197.541  479.507    248.717  177.699    325.114  28.324  7.8405  22.187  8.8934  6.137186       11.85607  
1 1 1 6   17  30 o 13.307  6.1534  -148.5864  208.825  105.534    278.018  -477.5540  316.323  19.598  8.0858  13.901  6.7423  5.696554       10.52800  
1 1 1 6   17  31 o 30.383  7.1301  561.765    230.602  735.650    309.934  346.133    345.139  34.245  8.4160  25.134  9.4051  9.110870       12.62082  
1 1 1 6   17  32 o 18.164  7.0490  154.447    198.414  283.018    300.888  55.520     263.929  22.645  8.7104  17.763  7.6294  4.881670       11.57928  
1 1 1 6   17  33 o 6.7481  2.8517  3.1726     35.843   0.1671     36.037   279.652    345.638  6.6268  2.8319  22.377  9.0985  -15.75061      9.529003  
1 1 1 6   17  34 o 4.6239  2.3079  -122.4362  47.092   55.532     396.908  -124.9773  47.427   19.489  8.8086  4.6177  2.3066  14.87172       9.105594  
1 1 1 6   17  35 o 23.204  9.3477  401.662    361.143  568.931    422.108  -55.2039   697.607  25.799  10.201  21.216  10.222  4.583012       14.44098  
1 1 1 6   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   18  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   18  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   18  3  o 351.733 8.5341  67089.59   3251.17  61572.57   4597.48  72608.42   4598.23  336.692 12.607  365.704 11.609  -29.01221      17.13785  
1 1 1 6   18  4  o 172.319 3.7131  16084.51   693.010  15922.84   1204.19  16164.57   847.407  171.411 6.4861  172.738 4.5293  -1.327026      7.911041  
1 1 1 6   18  5  o 342.262 5.9587  63473.56   2208.91  61618.25   3123.91  65328.77   3123.82  337.126 8.5553  347.139 8.3083  -10.01315      11.92566  
1 1 1 6   18  6  o 140.812 3.0467  10739.49   464.660  10769.76   657.962  10709.36   656.299  141.001 4.3083  140.605 4.3095  0.3959503      6.093752  
1 1 1 6   18  7  o 511.018 9.0742  141603.50  5022.46  145999.09  6569.41  135420.20  7791.62  518.667 11.694  499.245 14.409  19.42191       18.55752  
1 1 1 6   18  8  o 549.793 9.1997  163928.00  5478.28  161619.59  7747.62  166236.20  7747.29  545.510 13.113  553.269 12.928  -7.758484      18.41433  
1 1 1 6   18  9  o 253.189 5.2473  34733.42   1438.97  36031.57   2490.11  34082.58   1763.17  257.755 8.9195  250.773 6.4915  6.982849       11.03163  
1 1 1 6   18  10 o 393.157 9.4464  83861.24   4022.56  85874.97   5689.32  81848.32   5688.20  397.505 13.214  388.040 13.534  9.464935       18.91537  
1 1 1 6   18  11 o 619.928 11.168  208758.30  7498.81  207182.80  9796.32  210988.00  11653.75 616.907 14.661  621.910 17.301  -5.002563      22.67760  
1 1 1 6   18  12 o 456.378 7.6158  112994.10  3764.53  111907.10  5323.60  114081.30  5324.11  453.769 10.832  458.172 10.729  -4.402283      15.24576  
1 1 1 6   18  13 o 302.347 5.6925  49565.44   1864.13  50180.00   2455.22  48728.97   2864.38  304.083 7.4546  299.529 8.8292  4.554321       11.55536  
1 1 1 6   18  14 o 16.449  5.6961  131.556    123.704  297.730    191.775  13.145     161.885  23.333  7.0177  14.495  6.0893  8.838253       9.291253  
1 1 1 6   18  15 o 312.379 7.7516  53024.64   2622.65  51999.41   3708.56  54050.34   3709.42  308.798 11.088  314.870 10.877  -6.071899      15.53240  
1 1 1 6   18  16 o 88.837  4.0073  4278.47    385.579  4393.88    542.662  4160.79    547.959  89.808  5.6069  87.363  5.8243  2.445404       8.084538  
1 1 1 6   18  17 o 197.525 4.4292  21160.70   947.578  22033.56   1642.25  20725.06   1160.19  201.276 7.5331  195.405 5.4818  5.871536       9.316567  
1 1 1 6   18  18 f 294.320 5.4895  47031.51   1749.93  43347.92   2684.08  49754.80   2307.85  281.997 8.7878  302.471 7.0446  -20.47437      11.26284  
1 1 1 6   18  19 o 141.882 3.2551  10912.63   500.226  11601.16   710.085  10234.32   704.797  146.223 4.4836  137.324 4.7386  8.899139       6.523524  
1 1 1 6   18  20 o 161.195 3.5587  14091.49   621.321  14445.12   840.962  13666.43   921.979  163.114 4.7601  158.602 5.3671  4.511658       7.173864  
1 1 1 6   18  21 o 101.259 3.0635  5559.71    335.986  5482.69    468.191  5641.50    482.440  100.495 4.3014  101.936 4.3696  -1.440979      6.131542  
1 1 1 6   18  22 o 149.814 3.3365  12177.96   541.395  11785.57   760.843  12580.42   770.545  147.234 4.7711  152.129 4.6764  -4.895508      6.680753  
1 1 1 6   18  23 o 50.597  3.8246  1399.11    208.048  1291.60    285.308  1521.20    304.032  48.349  5.5487  52.543  5.4202  -4.193344      7.756752  
1 1 1 6   18  24 o 81.185  2.7182  3578.20    239.014  3472.15    375.804  3650.24    309.730  79.699  4.3702  81.932  3.4903  -2.233154      5.592901  
1 1 1 6   18  25 o 46.882  3.9324  1207.06    197.834  1367.92    272.203  1026.96    288.026  49.701  5.1303  42.692  6.4282  7.009064       8.224493  
1 1 1 6   18  26 o 34.567  5.6192  674.919    203.153  844.453    266.536  439.889    313.825  38.493  6.6325  28.079  9.0630  10.41392       11.23068  
1 1 1 6   18  27 o 61.753  3.6195  2092.20    241.032  2005.20    320.125  2206.09    366.256  60.110  4.9614  62.923  5.4272  -2.813438      7.353184  
1 1 1 6   18  28 f 79.574  3.2630  3461.88    281.230  3191.17    379.251  3792.60    419.177  75.902  4.6354  82.745  4.6965  -6.843109      6.598845  
1 1 1 6   18  29 f 16.923  6.7792  90.721     188.786  105.606    236.335  64.478     313.815  18.646  7.5441  19.993  8.4426  -1.346853      11.32217  
1 1 1 6   18  30 o 48.427  4.7381  1321.26    245.335  1063.38    329.064  1643.99    368.124  42.196  7.4736  53.205  6.5248  -11.00874      9.921082  
1 1 1 6   18  31 o 89.001  2.5816  4339.07    248.865  4421.49    446.141  4301.84    299.850  88.600  4.6655  88.382  3.1324  0.2184830      5.619486  
1 1 1 6   18  32 o 33.914  1.2078  625.124    44.364   47.586     294.153  638.567    44.878   18.350  7.9678  34.276  1.2088  -15.92647      8.058992  
1 1 1 6   18  33 o 26.201  7.7437  459.944    235.043  453.808    313.393  467.833    355.350  25.588  9.0517  25.843  9.5682  -0.2552891     13.17130  
1 1 1 6   18  34 o 22.745  9.5408  316.428    396.461  477.815    497.164  34.545     657.052  25.361  10.664  22.315  10.512  3.046225       14.97365  
1 1 1 6   18  35 f 21.106  8.8456  278.934    340.294  247.136    396.042  368.636    665.186  21.080  9.1981  23.667  10.958  -2.587618      14.30640  
1 1 1 6   19  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   19  1  o 566.022 18.903  174768.70  11588.96 0.0000     0.0000   174768.70  11588.96 ?       ?       566.022 18.903  0.000000       18.90343  
1 1 1 6   19  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   19  3  o 494.630 11.694  132808.50  6265.13  135827.50  8860.72  129790.30  8859.75  499.655 16.373  488.373 16.749  11.28284       23.42260  
1 1 1 6   19  4  o 154.563 3.1487  12939.54   527.113  12928.37   1060.34  12943.21   607.494  154.459 6.3382  154.581 3.6284  -0.1216125     7.303252  
1 1 1 6   19  5  o 222.936 4.7144  26924.30   1138.34  26679.90   1975.01  27045.88   1393.00  221.846 8.2195  223.420 5.7565  -1.574280      10.03485  
1 1 1 6   19  6  o 282.622 4.8631  43272.23   1488.65  43431.29   2105.72  43113.32   2104.81  283.091 6.8676  282.052 6.8899  1.038849       9.728058  
1 1 1 6   19  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   19  8  o 541.142 9.0058  158803.41  5278.44  158554.20  7465.22  159052.70  7464.46  540.344 12.756  541.195 12.734  -0.8512573     18.02410  
1 1 1 6   19  9  o 271.584 6.1137  39971.34   1798.38  40283.97   2833.50  39760.45   2327.18  272.505 9.6001  270.802 7.9343  1.703278       12.45453  
1 1 1 6   19  10 o 225.031 4.8744  27437.31   1188.05  27801.19   1457.25  26716.08   2051.62  226.491 5.9404  221.940 8.5347  4.551254       10.39854  
1 1 1 6   19  11 f 284.901 5.0218  43985.05   1549.63  43244.52   2191.48  44725.61   2191.52  282.398 7.1648  287.200 7.0452  -4.801453      10.04834  
1 1 1 6   19  12 o 481.489 8.0886  125807.00  4218.21  126743.20  5965.15  124870.60  5965.74  482.787 11.408  479.192 11.494  3.594757       16.19427  
1 1 1 6   19  13 o 377.624 6.4371  77349.88   2632.81  76669.45   3723.51  78030.19   3723.19  375.651 9.1516  378.981 9.0704  -3.329773      12.88505  
1 1 1 6   19  14 o 115.519 4.1604  7232.83    520.539  7459.74    735.780  7005.46    736.527  117.271 5.7928  113.478 6.0139  3.792458       8.350092  
1 1 1 6   19  15 o 251.158 9.1715  34326.56   2494.92  34808.53   3528.35  33844.59   3528.35  251.986 12.972  248.419 13.160  3.566345       18.47871  
1 1 1 6   19  16 o 273.522 6.9463  40646.95   2057.88  41491.48   2909.91  39802.00   2910.64  275.920 9.7370  270.207 9.9454  5.712891       13.91833  
1 1 1 6   19  17 o 12.849  5.5035  -8.4825    136.668  -30.5523   200.634  10.623     186.675  15.222  6.5950  15.459  6.5190  -0.2375317     9.273134  
1 1 1 6   19  18 o 205.905 4.1878  22994.66   933.948  24158.76   1246.92  21507.00   1409.60  210.942 5.4576  198.918 6.5426  12.02420       8.520079  
1 1 1 6   19  19 o 364.765 6.2736  72328.11   2478.57  69054.01   3504.59  75604.59   3505.86  355.675 9.0973  372.290 8.6945  -16.61508      12.58391  
1 1 1 6   19  20 o 87.070  2.8115  4109.30    265.144  3924.69    416.603  4234.99    343.751  84.909  4.5465  88.367  3.5916  -3.457100      5.793957  
1 1 1 6   19  21 o 108.971 3.0752  6439.08    362.960  6342.67    506.642  6540.73    520.233  108.084 4.3278  109.756 4.3762  -1.671425      6.154788  
1 1 1 6   19  22 o 53.865  3.7269  1582.62    216.099  1649.20    295.911  1506.53    316.331  54.833  5.0388  52.293  5.6763  2.540836       7.590115  
1 1 1 6   19  23 o 143.472 3.2919  11177.21   511.551  11085.31   737.544  11262.39   710.120  142.672 4.7729  143.843 4.5580  -1.170334      6.599659  
1 1 1 6   19  24 o 89.492  2.7859  4348.83    270.039  4294.52    404.970  4392.31    362.359  88.779  4.2116  89.844  3.7238  -1.064957      5.621716  
1 1 1 6   19  25 o 62.634  3.3628  2141.96    227.296  2306.80    317.416  1968.47    325.633  64.794  4.5518  59.718  5.0828  5.076176       6.823052  
1 1 1 6   19  26 o 23.111  7.1834  297.682    198.819  353.353    264.886  225.851    300.888  25.416  8.3346  23.065  8.7486  2.351200       12.08318  
1 1 1 6   19  27 o 41.793  4.9310  975.720    218.911  974.270    294.648  977.508    327.056  41.205  6.8421  41.010  7.6444  0.1951218      10.25924  
1 1 1 6   19  28 o 13.609  6.0564  -58.4829   179.771  -26.5383   226.735  -112.5598  295.002  15.975  6.9654  17.023  7.6530  -1.048189      10.34820  
1 1 1 6   19  29 o 14.048  2.7711  111.513    40.666   106.872    40.962   428.825    338.701  13.735  2.8470  27.401  9.4289  -13.66648      9.849323  
1 1 1 6   19  30 o 75.144  2.3139  3081.05    188.326  3420.88    412.748  2991.70    211.641  78.022  4.9093  73.962  2.6419  4.059837       5.575052  
1 1 1 6   19  31 o 47.010  5.1766  1265.87    259.207  1547.87    361.825  968.554    371.516  51.159  6.6901  38.991  8.9821  12.16800       11.19981  
1 1 1 6   19  32 o 34.839  6.5167  745.206    236.864  423.519    316.511  1154.69    357.101  25.624  9.0931  42.346  8.0807  -16.72180      12.16485  
1 1 1 6   19  33 o 19.604  7.5744  210.736    228.308  471.995    304.819  -123.1218  344.578  26.003  8.9450  16.974  7.8686  9.028584       11.91333  
1 1 1 6   19  34 o 42.186  8.4625  1250.35    373.218  1495.60    445.351  671.810    684.025  44.975  9.4431  27.472  12.035  17.50312       15.29751  
1 1 1 6   19  35 o 22.041  8.9349  340.182    332.188  377.305    377.521  212.861    699.156  22.769  9.4106  22.695  10.738  0.7382202E-01  14.27781  
1 1 1 6   20  0  o 347.306 5.8309  65365.41   2193.40  63613.52   3101.81  67117.59   3102.06  342.502 8.3615  351.821 8.1406  -9.319031      11.66980  
1 1 1 6   20  1  o 551.690 12.806  165329.09  7652.02  182676.91  10822.80 147989.00  10820.38 579.197 17.252  520.977 19.176  58.21991       25.79435  
1 1 1 6   20  2  o 730.128 24.226  291653.69  19158.12 0.0000     0.0000   291653.69  19158.12 ?       ?       730.128 24.226  0.000000       24.22611  
1 1 1 6   20  3  o 604.386 14.049  198448.09  9196.62  174234.30  13005.34 222666.80  13006.63 565.163 21.246  639.407 18.781  -74.24414      28.35697  
1 1 1 6   20  4  o 281.591 5.0659  42958.15   1545.05  42067.16   3094.67  43253.98   1783.19  278.487 10.260  282.541 5.8270  -4.053772      11.79906  
1 1 1 6   20  5  o 400.569 6.8884  86956.77   2988.58  82115.43   5980.56  88568.11   3450.27  388.812 14.201  404.220 7.8807  -15.40756      16.24150  
1 1 1 6   20  6  o 703.393 23.321  270172.41  17766.69 0.0000     0.0000   270172.41  17766.69 ?       ?       703.393 23.321  0.000000       23.32053  
1 1 1 6   20  7  o 191.720 3.7082  19910.04   770.020  18643.42   1089.35  21174.89   1088.59  185.498 5.4220  197.697 5.0839  -12.19870      7.432621  
1 1 1 6   20  8  o 190.450 3.6957  19647.45   762.338  20201.29   1079.90  19097.27   1076.32  193.094 5.1635  187.742 5.2931  5.352768       7.394522  
1 1 1 6   20  9  o 225.738 5.2250  27610.42   1277.49  30744.57   2028.90  25551.63   1644.39  238.128 7.8665  217.114 6.9927  21.01343       10.52519  
1 1 1 6   20  10 o 609.277 11.643  201623.20  7683.30  197678.50  9410.57  209509.91  13306.46 602.819 14.413  619.360 19.836  -16.54126      24.51932  
1 1 1 6   20  11 o 361.238 6.2313  70741.34   2438.04  69843.27   3447.91  71639.41   3447.91  358.748 8.8735  363.341 8.7614  -4.593140      12.47001  
1 1 1 6   20  12 o 588.749 9.7786  188300.20  6235.60  191223.20  8818.58  185377.41  8818.36  592.404 13.744  583.222 13.960  9.181763       19.59017  
1 1 1 6   20  13 o 377.185 7.4526  77218.20   3044.63  76422.63   3728.24  78811.03   5275.30  375.020 9.1786  380.226 12.810  -5.205688      15.75859  
1 1 1 6   20  14 o 308.789 7.6739  51788.97   2566.55  52228.42   3629.62  51349.51   3629.69  309.648 10.822  307.016 10.915  2.631866       15.37105  
1 1 1 6   20  15 o 246.839 7.4550  33103.68   1993.10  32561.58   2444.58  34178.50   3442.19  244.598 9.2274  249.715 12.770  -5.116791      15.75457  
1 1 1 6   20  16 o 160.468 5.0381  13969.19   875.645  12253.18   1368.78  15157.97   1139.27  149.816 8.4701  167.075 6.2957  -17.25897      10.55358  
1 1 1 6   20  17 o 70.965  2.8934  2729.02    222.396  2603.50    313.425  2856.30    315.617  69.161  4.2040  72.466  4.0372  -3.304840      5.828650  
1 1 1 6   20  18 o 305.890 5.7451  50817.55   1903.42  50893.50   2507.27  50714.24   2924.25  305.797 7.5700  304.980 8.8526  0.8164673      11.64796  
1 1 1 6   20  19 o 104.582 2.8729  5927.94    325.427  5440.71    446.492  6480.08    475.303  100.149 4.1162  109.302 4.0149  -9.152679      5.749973  
1 1 1 6   20  20 o 160.436 3.6131  13960.62   627.853  13491.26   856.736  14505.13   922.773  157.606 5.0189  163.402 5.2140  -5.795883      7.237020  
1 1 1 6   20  21 o 100.031 3.0573  5425.92    331.242  5570.99    465.000  5276.48    471.972  101.298 4.2382  98.573  4.4207  2.724785       6.124099  
1 1 1 6   20  22 o 62.704  3.4026  2139.98    230.222  1821.79    313.147  2514.26    339.629  57.647  5.0668  67.847  4.6498  -10.20001      6.877015  
1 1 1 6   20  23 o 190.756 3.8975  19782.07   805.252  18052.18   1198.80  21204.32   1086.99  181.721 6.0908  197.227 5.0885  -15.50604      7.936619  
1 1 1 6   20  24 o 47.958  2.2734  1247.85    118.087  1309.62    277.928  1234.24    130.447  48.641  5.3647  47.618  2.5384  1.023216       5.934955  
1 1 1 6   20  25 o 70.669  3.1922  2717.84    244.333  2750.49    342.114  2683.85    349.070  70.786  4.4854  69.888  4.6378  0.8984833      6.452011  
1 1 1 6   20  26 o 83.151  3.1945  3767.23    287.698  3394.90    388.776  4217.94    427.744  78.553  4.5894  87.606  4.5234  -9.052582      6.443935  
1 1 1 6   20  27 o 67.973  2.5852  2514.84    190.328  2247.58    337.217  2639.78    230.562  63.656  4.9294  69.570  3.0598  -5.913727      5.801879  
1 1 1 6   20  28 o 90.975  2.8640  4516.42    282.207  4374.42    356.450  4754.92    461.960  89.312  3.6849  92.793  4.5964  -3.481316      5.891107  
1 1 1 6   20  29 o 80.891  2.4373  3568.12    213.544  3165.58    293.050  4023.86    311.816  75.895  3.5650  85.637  3.3618  -9.741508      4.900074  
1 1 1 6   20  30 o 35.049  2.2288  672.603    84.169   667.292    86.781   756.867    345.657  34.896  2.3091  34.760  9.0812  0.1360359      9.370223  
1 1 1 6   20  31 o 40.442  2.3409  897.296    102.097  877.658    106.392  1125.94    363.026  39.966  2.4699  42.625  8.1605  -2.659199      8.526091  
1 1 1 6   20  32 o 30.956  7.1328  606.656    234.236  392.133    312.991  879.764    353.153  24.855  9.0154  35.968  9.0676  -11.11293      12.78666  
1 1 1 6   20  33 o 31.494  7.0674  642.695    235.154  824.923    311.313  400.574    358.844  34.678  8.3815  24.533  9.4911  10.14522       12.66215  
1 1 1 6   20  34 o 28.343  1.8937  443.124    57.799   283.435    371.585  447.083    58.511   21.981  9.2295  28.466  1.9088  -6.484699      9.424819  
1 1 1 6   20  35 o 23.192  9.0993  406.432    333.440  485.877    379.148  135.247    700.500  24.496  9.6736  22.181  10.567  2.314743       14.32615  
1 1 1 6   21  0  o 433.977 7.9566  102107.10  3739.95  103111.10  6480.54  101605.80  4579.50  435.625 13.735  432.788 9.7695  2.837646       16.85507  
1 1 1 6   21  1  o 147.410 4.4704  11771.70   713.750  11097.10   1009.40  12446.30   1009.39  143.096 6.5128  151.551 6.1494  -8.455399      8.957155  
1 1 1 6   21  2  o 219.451 8.2087  26108.85   1951.12  0.0000     0.0000   26108.85   1951.12  ?       ?       219.451 8.2087  0.000000       8.208724  
1 1 1 6   21  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   21  4  o 230.301 4.0735  28730.32   1016.09  30037.17   2038.06  28298.04   1172.15  235.398 7.9936  228.552 4.7351  6.845657       9.290828  
1 1 1 6   21  5  o 111.379 2.8622  6718.94    345.285  5930.69    698.153  6974.17    397.272  104.434 6.1999  113.473 3.2324  -9.038467      6.991974  
1 1 1 6   21  6  f 402.221 6.6997  87674.34   2918.70  92719.43   5841.88  85996.06   3369.37  413.229 13.052  398.303 7.8102  14.92645       15.21070  
1 1 1 6   21  7  o 522.952 8.7081  148287.09  4932.38  146435.59  6975.79  150138.09  6975.07  519.345 12.401  525.886 12.246  -6.541199      17.42847  
1 1 1 6   21  8  o 403.582 8.7632  88326.61   3830.58  90751.25   5977.14  86636.70   4990.01  408.705 13.502  399.506 11.532  9.199554       17.75686  
1 1 1 6   21  9  o 498.607 11.794  134998.50  6369.41  134278.91  9007.39  135718.20  9008.02  496.597 16.747  499.266 16.658  -2.668671      23.62076  
1 1 1 6   21  10 o 584.727 11.219  185683.91  7105.29  183205.70  8702.72  190638.41  12305.15 580.384 13.844  590.863 19.228  -10.47913      23.69330  
1 1 1 6   21  11 o 73.434  2.7403  2920.99    217.954  2822.39    315.013  3011.54    301.873  72.061  4.0525  74.463  3.7551  -2.401138      5.524779  
1 1 1 6   21  12 o 672.972 11.077  246280.70  8074.29  250225.70  11419.04 242336.00  11418.51 676.978 15.573  666.131 15.826  10.84668       22.20370  
1 1 1 6   21  13 o 207.839 5.6128  23424.32   1263.51  23124.18   1784.69  23725.92   1789.05  206.364 7.9847  209.038 7.9018  -2.673523      11.23363  
1 1 1 6   21  14 o 111.156 4.1030  6697.07    493.977  7067.14    693.754  6316.50    703.526  114.143 5.6116  107.728 6.0541  6.415703       8.254779  
1 1 1 6   21  15 o 254.246 4.9064  35056.66   1351.11  35318.76   1787.34  34707.18   2063.87  255.059 6.4699  252.729 7.5398  2.330627       9.935161  
1 1 1 6   21  16 o 182.914 5.1800  18152.85   1026.23  18645.84   1451.11  17659.58   1451.52  185.217 7.2335  180.233 7.4356  4.983612       10.37364  
1 1 1 6   21  17 o 84.025  2.8295  3825.89    257.507  3780.78    361.993  3872.10    366.385  83.502  4.0025  84.505  4.0030  -1.002411      5.660765  
1 1 1 6   21  18 o 235.936 4.6119  30202.16   1178.54  29601.19   1563.18  30993.70   1793.99  233.404 6.1835  238.727 6.9382  -5.323471      9.293753  
1 1 1 6   21  19 f 224.660 4.1982  27380.96   1021.56  26275.40   1441.16  28497.47   1448.28  219.871 6.0516  229.008 5.8389  -9.137024      8.409227  
1 1 1 6   21  20 o 89.616  2.7429  4353.11    266.236  4228.46    404.223  4448.61    353.820  88.270  4.2280  90.565  3.6071  -2.294533      5.557599  
1 1 1 6   21  21 o 324.342 5.6633  57232.11   1989.49  57590.11   2812.63  56873.63   2814.48  324.616 7.9997  322.569 8.0557  2.046204       11.35297  
1 1 1 6   21  22 o 94.604  3.0228  4855.18    309.733  4870.43    430.240  4838.77    446.256  94.678  4.1956  94.357  4.3666  0.3211060      6.055541  
1 1 1 6   21  23 o 161.898 3.6343  14243.79   637.278  14785.05   937.827  13779.46   868.639  164.634 5.2594  158.982 5.0445  5.651382       7.287538  
1 1 1 6   21  24 o 42.223  4.0672  980.188    183.704  784.018    244.591  1234.05    278.243  37.292  6.2787  47.155  5.5544  -9.863258      8.382947  
1 1 1 6   21  25 o 78.068  3.1135  3316.26    263.262  3782.90    369.621  2835.79    375.057  83.235  4.1000  71.791  4.8519  11.44431       6.352231  
1 1 1 6   21  26 o 25.844  6.6526  385.296    187.322  341.156    238.818  455.877    301.992  24.785  7.8963  28.343  8.8604  -3.558319      11.86834  
1 1 1 6   21  27 o 84.732  3.1139  3917.07    285.772  3742.46    399.961  4099.19    408.458  82.374  4.4999  86.260  4.3863  -3.885399      6.284045  
1 1 1 6   21  28 o 55.890  1.8616  1697.18    112.692  1717.97    157.531  1675.38    161.277  56.145  2.5905  55.432  2.6862  0.7134247      3.731823  
1 1 1 6   21  29 o 61.392  2.5237  2056.39    167.811  1818.87    321.853  2145.06    196.656  56.802  5.2924  62.627  2.8992  -5.824474      6.034461  
1 1 1 6   21  30 o 70.099  3.7007  2720.46    279.980  2549.07    380.657  2922.46    413.252  67.096  5.2807  71.826  5.3504  -4.730522      7.517505  
1 1 1 6   21  31 o 23.253  7.6033  321.335    220.501  438.225    293.971  170.977    333.410  26.645  8.7823  21.640  8.8828  5.005695       12.49134  
1 1 1 6   21  32 o 31.642  2.0573  550.631    70.122   566.925    71.500   139.952    358.952  32.106  2.0671  20.870  8.9287  11.23630       9.164819  
1 1 1 6   21  33 o 28.724  1.3636  449.560    42.421   531.048    372.982  448.492    42.698   26.990  9.8336  28.688  1.3742  -1.698025      9.929121  
1 1 1 6   21  34 o 33.682  9.1686  852.762    343.453  987.173    399.830  474.394    670.835  35.282  10.003  25.501  11.495  9.781828       15.23834  
1 1 1 6   21  35 o 28.680  9.4521  675.152    340.524  692.228    393.762  624.498    678.169  28.120  10.125  25.560  11.537  2.560434       15.34945  
1 1 1 6   22  0  o 115.531 2.7298  7229.17    341.583  7179.61    487.922  7276.82    478.362  115.127 3.9129  115.904 3.8105  -0.7775421     5.461812  
1 1 1 6   22  1  o 370.823 8.7199  74558.33   3502.25  77141.20   4957.94  71985.88   4947.93  376.978 12.143  364.135 12.546  12.84311       17.45958  
1 1 1 6   22  2  o 317.063 7.7647  54492.11   2666.49  58640.68   3772.02  50348.07   3769.96  328.779 10.593  304.604 11.427  24.17572       15.58131  
1 1 1 6   22  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   22  4  o 619.459 14.521  208456.30  9742.48  204061.91  13778.15 212850.50  13777.73 611.900 20.789  625.020 20.352  -13.12012      29.09316  
1 1 1 6   22  5  o 453.451 7.6198  111450.40  3742.37  104706.90  7488.33  113695.40  4320.62  438.890 15.753  457.934 8.7111  -19.04355      18.00098  
1 1 1 6   22  6  o 271.128 4.7653  39824.02   1399.38  42824.20   2804.21  38829.13   1614.82  281.018 9.2131  267.703 5.5693  13.31531       10.76563  
1 1 1 6   22  7  o 622.036 11.757  210024.59  7921.18  219900.80  13723.47 205090.41  9700.16  635.123 19.950  614.306 14.579  20.81714       24.70897  
1 1 1 6   22  8  o 770.720 25.575  325478.19  21349.31 0.0000     0.0000   325478.19  21349.31 ?       ?       770.720 25.575  0.000000       25.57508  
1 1 1 6   22  9  o 652.920 12.547  231591.80  8872.86  234292.50  10867.64 226192.50  15366.40 656.217 15.290  643.161 22.059  13.05682       26.84003  
1 1 1 6   22  10 o 281.779 5.0120  43024.26   1529.65  44479.71   2165.01  41573.54   2161.49  286.426 6.9788  276.900 7.2071  9.525665       10.03219  
1 1 1 6   22  11 o 263.088 4.7429  37508.01   1351.49  37786.37   1912.74  37230.48   1909.87  263.978 6.6899  262.027 6.7296  1.950928       9.489026  
1 1 1 6   22  12 o 379.080 9.1649  78050.93   3762.95  75551.33   5320.85  80551.96   5322.38  372.375 13.193  384.573 12.778  -12.19824      18.36622  
1 1 1 6   22  13 o 13.342  5.8583  -44.2716   162.893  158.613    216.225  -310.5240  247.702  19.874  7.4428  13.349  6.3377  6.525034       9.775563  
1 1 1 6   22  14 o 307.568 6.1718  51332.62   2056.00  54063.29   3562.18  49968.53   2517.69  315.055 10.439  303.289 7.6644  11.76642       12.95049  
1 1 1 6   22  15 o 76.068  2.4918  3134.82    205.298  3572.89    329.443  2856.70    262.499  81.190  3.7463  72.605  3.3381  8.585693       5.017722  
1 1 1 6   22  16 o 61.330  2.8780  2038.15    191.178  2451.88    404.772  1919.35    216.894  66.976  5.6321  59.413  3.3845  7.563602       6.570822  
1 1 1 6   22  17 o 107.179 2.9117  6225.19    338.009  5579.16    477.580  6873.60    478.455  101.424 4.3475  112.592 3.9234  -11.16830      5.856088  
1 1 1 6   22  18 o 280.871 5.3337  42830.01   1622.57  43190.36   2141.21  42344.02   2486.66  281.791 7.0155  278.788 8.2352  3.003479       10.81830  
1 1 1 6   22  19 o 117.621 3.0233  7499.08    385.152  7357.89    540.136  7645.14    549.356  116.454 4.2823  118.706 4.2728  -2.251884      6.049354  
1 1 1 6   22  20 f 264.335 5.3677  37969.54   1536.77  36207.12   2171.24  39738.73   2175.40  257.642 7.7807  269.998 7.4389  -12.35583      10.76462  
1 1 1 6   22  21 o 236.540 4.4162  30387.24   1131.43  30439.23   1598.77  30335.07   1601.39  236.405 6.2440  235.996 6.2650  0.4093475      8.845188  
1 1 1 6   22  22 o 90.640  2.9922  4456.93    293.755  4423.12    411.004  4492.23    420.008  90.220  4.2060  90.918  4.2652  -0.6977921     5.990211  
1 1 1 6   22  23 o 64.046  2.5889  2225.41    179.590  1995.19    212.945  2792.52    334.222  60.523  3.2605  71.497  4.3364  -10.97404      5.425430  
1 1 1 6   22  24 o 26.148  5.9379  389.850    164.331  459.463    216.541  295.314    252.343  28.314  7.0798  23.914  8.1406  4.400169       10.78857  
1 1 1 6   22  25 o 97.398  2.8860  5158.87    304.446  4864.28    450.038  5407.44    413.397  94.316  4.4055  99.559  3.8337  -5.243118      5.839992  
1 1 1 6   22  26 o 13.276  6.0110  -98.6808   185.794  -69.8190   245.410  -137.4368  284.380  16.073  7.1181  16.496  7.4559  -0.4230900     10.30818  
1 1 1 6   22  27 o 91.741  2.8860  4587.40    286.768  3908.82    428.397  5138.34    386.009  84.106  4.7218  96.899  3.6780  -12.79286      5.985200  
1 1 1 6   22  28 o 39.182  4.9452  863.326    205.192  703.592    264.316  1105.60    325.522  34.591  7.2851  43.646  7.1324  -9.055191      10.19532  
1 1 1 6   22  29 o 85.117  3.3561  3976.26    309.403  3720.87    405.409  4332.52    478.820  81.746  4.5975  87.985  5.0456  -6.239845      6.826058  
1 1 1 6   22  30 o 51.096  4.5200  1465.87    247.568  1486.40    325.557  1437.71    381.223  50.771  6.0387  49.213  7.3796  1.558029       9.535447  
1 1 1 6   22  31 o 32.743  6.4836  643.417    221.796  736.105    290.434  513.727    343.547  34.318  7.9669  28.464  9.4995  5.854193       12.39803  
1 1 1 6   22  32 o 34.846  1.6755  662.690    63.238   436.342    294.213  673.653    64.751   25.685  8.7899  35.129  1.7018  -9.444206      8.953102  
1 1 1 6   22  33 o 15.134  6.9616  -96.9156   262.278  -82.6336   418.081  -106.1839  336.794  18.832  8.7076  16.931  7.8240  1.900663       11.70627  
1 1 1 6   22  34 o 18.146  8.2539  8.6176     355.269  415.444    425.816  -923.2370  644.454  24.142  9.9875  17.226  8.5882  6.916014       13.17222  
1 1 1 6   22  35 f 24.855  9.7224  507.488    379.758  472.145    453.297  590.691    695.496  24.144  10.169  25.277  11.517  -1.132582      15.36365  
1 1 1 6   23  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   23  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   23  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   23  3  o 250.904 6.4127  34112.85   1742.69  36184.48   2465.44  32044.24   2463.64  258.341 8.8111  243.095 9.3569  15.24628       12.85249  
1 1 1 6   23  4  o 250.142 4.3377  33894.83   1175.20  34936.45   2356.47  33550.00   1355.84  253.853 8.5705  248.854 5.0303  4.999207       9.937717  
1 1 1 6   23  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   23  6  o 555.995 9.2861  167641.91  5592.11  163223.59  11187.76 169113.41  6456.53  547.438 18.869  558.306 10.677  -10.86786      21.68003  
1 1 1 6   23  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   23  8  o 522.081 12.129  148011.41  6858.58  0.0000     0.0000   148011.41  6858.58  ?       ?       522.081 12.129  0.000000       12.12901  
1 1 1 6   23  9  o 518.324 9.9294  145789.91  5574.34  146307.50  6827.96  144755.30  9652.71  518.982 12.147  515.418 17.291  3.563660       21.13119  
1 1 1 6   23  10 o 453.231 7.6357  111404.60  3748.35  116110.30  5301.91  106702.30  5300.02  462.397 10.586  443.215 11.041  19.18243       15.29594  
1 1 1 6   23  11 o 159.936 4.7819  13862.18   828.352  13430.19   1173.43  14291.30   1169.52  157.366 6.8845  162.340 6.6513  -4.974258      9.572723  
1 1 1 6   23  12 o 244.546 6.3391  32433.92   1679.04  32399.34   2374.36  32468.51   2374.67  244.236 8.9757  244.497 8.9672  -0.2612457     12.68755  
1 1 1 6   23  13 o 142.873 4.4689  11064.45   691.547  10353.68   974.501  11785.50   981.528  138.138 6.5133  147.395 6.1482  -9.257736      8.956742  
1 1 1 6   23  14 o 295.516 5.1712  47361.91   1655.17  48391.27   2341.82  46334.40   2339.71  298.502 7.2433  292.072 7.3961  6.430420       10.35217  
1 1 1 6   23  15 o 73.936  2.8055  2961.85    224.666  3082.44    315.633  2838.01    319.861  75.309  3.8828  72.237  4.1051  3.072037       5.650494  
1 1 1 6   23  16 o 390.416 8.5492  82978.33   3615.11  82302.67   3992.12  86057.12   8521.80  388.589 9.4851  392.512 20.113  -3.922394      22.23707  
1 1 1 6   23  17 o 235.248 4.3203  30015.45   1100.80  28839.10   1555.40  31195.91   1558.12  230.405 6.2328  239.662 6.0025  -9.256882      8.653159  
1 1 1 6   23  18 o 251.409 4.8954  34303.07   1333.04  33923.07   1763.72  34809.37   2035.82  249.805 6.5187  252.904 7.4321  -3.098373      9.885823  
1 1 1 6   23  19 o 296.888 5.2594  47869.07   1691.21  47313.38   2390.44  48425.98   2393.04  294.732 7.4882  298.195 7.4093  -3.463135      10.53432  
1 1 1 6   23  20 o 85.871  2.4987  3996.30    232.400  3761.89    325.824  4239.06    331.578  83.280  3.6122  88.410  3.4627  -5.129807      5.003825  
1 1 1 6   23  21 o 215.448 4.1207  25201.76   961.571  25071.05   1359.61  25332.57   1360.12  214.611 5.8491  215.733 5.8209  -1.121735      8.251995  
1 1 1 6   23  22 o 234.981 4.3941  30017.88   1118.35  30243.05   1580.21  29791.91   1582.96  235.414 6.1974  233.635 6.2555  1.779236       8.805666  
1 1 1 6   23  23 o 145.797 3.2996  11546.79   521.044  11578.27   734.482  11514.90   739.275  145.776 4.6518  145.368 4.6953  0.4076843      6.609514  
1 1 1 6   23  24 o 52.089  3.4917  1482.92    195.855  1459.89    266.266  1510.07    289.102  51.466  4.8332  52.286  5.1728  -0.8197975     7.079439  
1 1 1 6   23  25 o 70.112  3.4382  2678.27    261.091  2407.71    355.896  2993.57    384.204  66.071  5.0105  73.755  4.8363  -7.683876      6.963846  
1 1 1 6   23  26 o 17.616  6.7002  125.007    176.787  129.261    222.184  117.667    291.863  19.029  7.4385  20.696  8.3801  -1.666965      11.20523  
1 1 1 6   23  27 o 39.196  1.5489  833.575    65.757   862.472    67.240   199.895    314.871  39.869  1.5571  22.677  8.8577  17.19280       8.993513  
1 1 1 6   23  28 o 32.892  5.4983  617.933    188.964  510.980    263.559  731.071    271.072  29.312  8.0537  35.243  7.3397  -5.931395      10.89649  
1 1 1 6   23  29 o 32.796  6.3352  628.640    216.889  610.596    269.711  661.663    364.875  31.816  7.8702  32.702  9.6435  -0.8854847     12.44738  
1 1 1 6   23  30 f 46.714  4.8332  1233.37    241.004  1140.45    307.657  1380.95    387.729  44.103  6.6470  48.017  7.7166  -3.913963      10.18478  
1 1 1 6   23  31 f 45.553  2.3493  1138.55    115.517  1179.71    312.929  1132.06    124.296  44.430  6.7120  45.373  2.5394  -0.9428520     7.176281  
1 1 1 6   23  32 o 20.499  7.5001  243.331    217.301  243.089    281.760  243.687    341.370  21.290  8.3608  22.080  9.0171  -0.7902622     12.29679  
1 1 1 6   23  33 o 34.388  7.3443  774.930    265.228  797.089    386.115  755.133    364.957  32.360  10.003  31.774  9.7089  0.5860767      13.93983  
1 1 1 6   23  34 o 23.767  9.0286  405.133    320.757  316.796    363.679  714.508    680.599  22.346  9.2361  27.585  12.047  -5.238869      15.17990  
1 1 1 6   23  35 o 22.099  8.8839  345.781    325.455  274.048    368.646  599.229    692.938  21.179  9.0545  25.381  11.538  -4.201046      14.66634  
1 1 1 6   24  0  o 154.262 3.0436  12888.94   508.526  12116.38   719.100  13661.76   719.227  149.556 4.4393  158.810 4.1814  -9.253983      6.098469  
1 1 1 6   24  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   24  2  o 286.365 7.5736  44447.04   2349.05  41237.95   3327.25  47636.19   3316.90  275.699 11.142  296.353 10.334  -20.65457      15.19662  
1 1 1 6   24  3  o 364.610 8.4219  72069.05   3325.88  0.0000     0.0000   72069.05   3325.88  ?       ?       364.610 8.4219  0.000000       8.421857  
1 1 1 6   24  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   24  5  o 228.504 4.9398  28287.35   1222.56  28022.62   2120.71  28419.13   1496.21  227.344 8.6124  229.014 6.0320  -1.670059      10.51471  
1 1 1 6   24  6  o 593.360 13.964  191274.30  8974.23  186069.30  12692.43 196477.70  12690.53 584.247 20.058  600.471 19.513  -16.22351      27.98306  
1 1 1 6   24  7  o 700.861 13.289  266830.91  10087.59 0.0000     0.0000   266830.91  10087.59 ?       ?       700.861 13.289  0.000000       13.28879  
1 1 1 6   24  8  o 264.946 6.6377  38046.84   1904.78  0.0000     0.0000   38046.84   1904.78  ?       ?       264.946 6.6377  0.000000       6.637674  
1 1 1 6   24  9  o 489.781 9.5391  130165.10  5060.35  121806.20  8767.27  134341.00  6196.75  472.768 17.122  497.355 11.503  -24.58667      20.62717  
1 1 1 6   24  10 o 511.908 12.022  142446.30  6665.74  150722.09  9428.54  134176.70  9425.03  525.687 16.560  495.778 17.552  29.90851       24.13064  
1 1 1 6   24  11 o 434.454 10.400  102565.00  4893.72  101792.90  6921.63  103336.60  6919.91  432.069 14.791  435.356 14.675  -3.286926      20.83564  
1 1 1 6   24  12 o 97.452  4.0277  5146.20    425.129  5178.65    603.729  5114.29    598.747  97.559  5.7388  96.949  5.7274  0.6092834      8.107869  
1 1 1 6   24  13 o 198.630 3.7717  21380.58   811.433  22193.73   1149.39  20572.64   1145.70  202.309 5.2454  194.771 5.4310  7.537659       7.550478  
1 1 1 6   24  14 o 151.178 3.2268  12384.12   528.361  12705.94   747.927  12063.52   746.505  153.087 4.5108  149.163 4.6206  3.924423       6.457340  
1 1 1 6   24  15 o 192.660 4.0167  20121.88   838.178  19922.93   1119.23  20375.95   1264.81  191.626 5.3925  193.748 6.0272  -2.121902      8.087425  
1 1 1 6   24  16 o 103.913 3.2034  5852.02    360.541  5714.37    432.649  6164.85    652.242  102.666 3.8908  106.419 5.6793  -3.753410      6.884211  
1 1 1 6   24  17 o 268.463 4.7851  39103.69   1391.39  38637.59   1966.71  39570.75   1968.73  266.604 6.8109  269.815 6.7367  -3.211243      9.579764  
1 1 1 6   24  18 o 195.394 3.9956  20705.78   845.589  20437.03   1132.22  21044.77   1271.57  194.007 5.3882  196.812 5.9651  -2.805191      8.038319  
1 1 1 6   24  19 o 139.559 3.2163  10559.07   486.161  11101.70   687.192  10015.35   687.880  143.030 4.4359  135.837 4.6755  7.193680       6.444929  
1 1 1 6   24  20 o 170.496 3.6798  15768.38   679.522  16038.68   918.971  15442.29   1009.35  171.837 4.9376  168.548 5.5290  3.288727       7.412823  
1 1 1 6   24  21 o 51.277  3.4682  1433.05    191.487  1376.83    255.733  1504.81    288.896  50.109  4.7694  52.355  5.1618  -2.245461      7.027936  
1 1 1 6   24  22 o 172.443 3.5649  16146.30   665.824  14652.85   982.752  17413.50   905.251  163.972 5.5336  178.914 4.6715  -14.94220      7.241749  
1 1 1 6   24  23 o 69.389  3.0694  2614.62    230.682  2932.67    320.194  2271.39    332.629  73.305  4.0485  64.372  4.8054  8.932404       6.283542  
1 1 1 6   24  24 o 89.388  2.9503  4342.33    285.639  4222.28    400.067  4467.17    407.959  87.987  4.1980  90.508  4.1616  -2.521164      5.911213  
1 1 1 6   24  25 o 92.933  3.1011  4700.65    312.140  4780.57    429.137  4610.88    454.849  93.516  4.2368  91.770  4.5761  1.745949       6.236281  
1 1 1 6   24  26 o 8.2795  2.9761  31.318     34.008   312.364    237.291  25.425     34.363   23.950  7.8902  7.9238  2.9671  16.02632       8.429687  
1 1 1 6   24  27 o 3.3661  1.6898  -80.2196   27.004   -78.1677   27.120   -319.4472  292.835  3.4121  1.7102  14.680  6.9465  -11.26788      7.153967  
1 1 1 6   24  28 o 24.438  6.7580  348.769    184.885  350.184    263.131  347.389    259.835  24.979  8.3126  24.874  8.2595  0.1053333      11.71829  
1 1 1 6   24  29 o 26.680  7.2723  424.234    215.908  433.466    270.205  407.928    359.092  26.999  8.3714  27.066  9.6769  -0.6624222E-01 12.79539  
1 1 1 6   24  30 o 30.478  2.1865  509.134    71.699   843.549    283.652  486.310    74.105   37.538  7.2390  29.762  2.3172  7.776089       7.600833  
1 1 1 6   24  31 o 19.327  7.4854  171.554    223.393  -42.1326   305.969  415.510    326.922  17.695  7.8859  26.114  9.2442  -8.418484      12.15085  
1 1 1 6   24  32 o 25.380  7.4746  418.619    219.331  744.400    286.953  -39.1450   340.149  33.536  8.0101  18.012  8.1463  15.52466       11.42469  
1 1 1 6   24  33 o 12.873  3.5361  96.587     50.816   256.505    350.525  93.154     51.358   21.883  9.0580  12.660  3.5837  9.222414       9.741141  
1 1 1 6   24  34 o 15.223  7.1518  -153.1691  300.546  -251.2242  336.620  232.170    667.308  15.199  7.2639  23.436  10.893  -8.236644      13.09314  
1 1 1 6   24  35 o 27.785  9.3605  627.550    333.598  736.069    384.171  294.850    672.664  29.225  10.043  23.109  10.806  6.116568       14.75226  
1 1 1 6   25  0  o 756.845 25.062  313034.31  20544.38 313034.31  20544.38 0.0000     0.0000   756.845 25.062  ?       ?       0.000000       25.06200  
1 1 1 6   25  1  o 609.679 20.271  202497.30  13386.13 0.0000     0.0000   202497.30  13386.13 ?       ?       609.679 20.271  0.000000       20.27141  
1 1 1 6   25  2  o 391.130 7.5987  82917.80   3219.06  78601.28   5578.89  85072.24   3941.36  380.465 13.538  396.102 9.1869  -15.63644      16.36103  
1 1 1 6   25  3  o 717.082 23.764  280797.59  18457.13 280797.59  18457.13 0.0000     0.0000   717.082 23.764  ?       ?       0.000000       23.76430  
1 1 1 6   25  4  o 688.321 16.084  257591.30  11991.33 255626.80  16958.63 259555.59  16957.98 684.317 22.880  689.598 22.704  -5.280579      32.23346  
1 1 1 6   25  5  o 288.624 5.0766  45131.76   1586.99  45947.26   3182.64  44861.89   1830.84  291.044 10.096  287.740 5.8746  3.304565       11.68095  
1 1 1 6   25  6  o 371.441 7.3396  74783.81   2952.78  78766.26   5120.06  72799.21   3614.40  380.886 12.411  366.391 9.1080  14.49557       15.39447  
1 1 1 6   25  7  o 761.080 17.828  315471.19  14696.50 0.0000     0.0000   315471.19  14696.50 ?       ?       761.080 17.828  0.000000       17.82845  
1 1 1 6   25  8  o 646.022 12.417  226695.70  8688.34  218090.30  15052.42 230995.09  10639.67 631.611 22.003  651.655 15.074  -20.04358      26.67171  
1 1 1 6   25  9  o 37.187  5.2436  764.152    205.333  508.350    302.689  982.211    279.468  30.298  8.7405  42.102  6.3240  -11.80452      10.78837  
1 1 1 6   25  10 o 218.336 6.5011  25845.99   1537.39  26595.81   1909.49  24464.19   2592.15  221.416 7.9623  211.870 11.337  9.546600       13.85370  
1 1 1 6   25  11 o 445.918 10.641  108083.30  5139.50  109453.20  7269.49  106714.30  7267.20  447.921 14.984  442.241 15.172  5.680450       21.32391  
1 1 1 6   25  12 o 339.635 5.8369  62554.20   2147.16  65987.38   3037.82  59126.83   3035.25  348.618 8.0453  329.949 8.4933  18.66843       11.69887  
1 1 1 6   25  13 o 320.352 5.5577  55660.30   1928.36  56056.24   2727.24  55264.43   2727.00  321.251 7.8381  318.967 7.8935  2.283691       11.12395  
1 1 1 6   25  14 o 95.106  2.7939  4900.54    287.798  4730.54    412.180  5062.27    402.026  93.418  4.0737  96.643  3.8407  -3.225090      5.598727  
1 1 1 6   25  15 o 128.237 3.1070  8911.32    431.549  8875.46    598.036  8950.27    623.356  127.941 4.3156  128.473 4.4797  -0.5319977     6.220352  
1 1 1 6   25  16 o 190.720 4.3355  19725.98   895.592  19726.17   1095.49  19725.59   1555.13  190.655 5.3051  190.450 7.5390  0.2048340      9.218489  
1 1 1 6   25  17 o 198.647 3.8651  21396.26   831.601  21880.34   1176.98  20913.69   1175.14  200.763 5.4127  196.268 5.5280  4.495010       7.736718  
1 1 1 6   25  18 o 196.432 4.0589  20927.59   863.552  21343.13   1154.90  20400.65   1300.53  198.260 5.3782  193.749 6.1974  4.510696       8.205658  
1 1 1 6   25  19 o 272.732 4.8889  40384.90   1444.17  38288.72   2041.05  42486.48   2043.67  265.184 7.1062  279.416 6.7529  -14.23132      9.803023  
1 1 1 6   25  20 o 182.764 3.6893  18120.16   730.315  18062.93   1030.74  18177.86   1034.92  182.320 5.2197  182.898 5.2243  -0.5785370     7.384988  
1 1 1 6   25  21 o 111.996 2.9699  6802.35    360.255  6692.69    498.959  6921.77    520.689  111.016 4.1496  112.892 4.2584  -1.875771      5.945873  
1 1 1 6   25  22 o 178.998 3.7523  17404.06   727.469  17618.04   1082.19  17227.65   982.600  179.770 5.5579  177.860 5.1007  1.910049       7.543714  
1 1 1 6   25  23 o 12.455  5.3622  -11.6013   130.959  53.165     163.978  -125.6578  217.607  15.446  6.2720  14.294  6.4854  1.152554       9.022093  
1 1 1 6   25  24 o 96.727  3.0392  5086.35    318.404  5651.98    464.045  4583.13    437.693  101.784 4.2093  91.623  4.4106  10.16110       6.096865  
1 1 1 6   25  25 o 98.461  3.0947  5276.98    330.034  5216.62    462.963  5339.34    470.607  97.647  4.3774  98.784  4.3985  -1.137009      6.205475  
1 1 1 6   25  26 o 46.312  1.8473  1164.15    92.664   507.230    305.439  1230.74    97.247   29.593  8.8466  47.616  1.8856  -18.02321      9.045288  
1 1 1 6   25  27 o 44.651  4.5673  1108.78    217.772  1136.86    290.326  1072.66    329.293  44.757  6.1516  43.055  7.3237  1.702591       9.564435  
1 1 1 6   25  28 o 36.531  5.5026  759.680    210.965  579.970    279.398  998.027    321.769  31.123  8.1808  41.241  7.4790  -10.11760      11.08426  
1 1 1 6   25  29 o 14.066  2.5814  111.370    37.877   214.592    288.995  109.566    38.207   22.045  8.5206  13.941  2.6268  8.104758       8.916345  
1 1 1 6   25  30 o 43.431  5.1183  1073.92    236.142  1036.89    300.212  1134.02    382.427  41.888  6.8543  42.936  8.5242  -1.047928      10.93814  
1 1 1 6   25  31 o 45.216  5.0136  1175.68    241.403  1313.48    312.657  972.269    379.864  47.075  6.2893  38.531  9.2246  8.544025       11.16459  
1 1 1 6   25  32 o 15.935  6.8313  45.057     210.905  389.311    271.436  -479.4049  335.032  24.390  8.4381  13.895  6.7839  10.49477       10.82694  
1 1 1 6   25  33 o 25.823  9.5808  479.273    356.648  806.425    433.171  -209.2357  628.404  31.684  10.666  20.939  9.9843  10.74463       14.61021  
1 1 1 6   25  34 o 19.279  8.2701  158.781    309.447  351.429    352.070  -495.4822  648.818  22.775  9.2103  18.976  9.3013  3.799004       13.08984  
1 1 1 6   25  35 f 21.969  8.8424  337.860    322.835  593.118    364.669  -587.1234  694.186  26.620  9.7196  18.652  9.2329  7.968531       13.40590  
1 1 1 6   26  0  o 457.180 7.7025  113288.90  3814.09  117486.80  5394.32  109092.30  5393.55  465.387 10.702  448.424 11.105  16.96286       15.42222  
1 1 1 6   26  1  f 325.269 7.8583  57347.57   2768.49  61453.95   3915.63  53242.87   3914.84  336.582 10.741  313.249 11.539  23.33231       15.76410  
1 1 1 6   26  2  o 537.072 12.643  156575.91  7354.66  159599.20  10401.67 153553.30  10400.45 541.618 17.731  531.212 18.076  10.40588       25.32109  
1 1 1 6   26  3  o 582.232 13.561  184090.70  8552.00  161017.80  12093.66 207168.91  12095.04 543.554 20.542  616.985 18.099  -73.43121      27.37816  
1 1 1 6   26  4  f 754.026 24.985  310885.19  20404.76 0.0000     0.0000   310885.19  20404.76 ?       ?       754.026 24.985  0.000000       24.98473  
1 1 1 6   26  5  o 403.699 6.6608  88321.41   2912.43  94238.45   5832.32  86355.77   3361.56  416.590 12.926  399.129 7.7760  17.46082       15.08464  
1 1 1 6   26  6  o 249.828 5.1714  33815.91   1399.34  0.0000     0.0000   33815.91   1399.34  ?       ?       249.828 5.1714  0.000000       5.171429  
1 1 1 6   26  7  o 347.042 8.4619  65309.43   3180.68  0.0000     0.0000   65309.43   3180.68  ?       ?       347.042 8.4619  0.000000       8.461891  
1 1 1 6   26  8  o 164.104 6.8494  14598.02   1217.43  14598.02   1217.43  0.0000     0.0000   164.104 6.8494  ?       ?       0.000000       6.849422  
1 1 1 6   26  9  o 78.181  3.9414  3319.80    332.675  2963.29    477.771  3655.32    463.501  73.693  6.0388  81.962  5.2487  -8.268539      8.001040  
1 1 1 6   26  10 f 301.229 7.5091  49219.37   2449.95  45380.80   3464.97  53057.01   3464.54  288.971 11.071  312.536 10.235  -23.56503      15.07679  
1 1 1 6   26  11 o 416.837 7.4731  94276.20   3373.92  92466.09   6255.21  95018.89   4006.73  411.825 14.024  418.315 8.8433  -6.490204      16.57905  
1 1 1 6   26  12 o 273.372 5.5749  40523.94   1650.67  42602.89   2863.81  39489.66   2019.96  279.957 9.4446  269.767 6.9133  10.19049       11.70443  
1 1 1 6   26  13 o 233.635 4.3236  29588.56   1094.08  30244.63   1548.92  28935.29   1545.60  236.104 6.0570  230.928 6.1795  5.175903       8.652915  
1 1 1 6   26  14 o 232.576 4.2582  29324.10   1072.65  30872.47   1518.60  27782.40   1515.32  238.524 5.8781  226.248 6.1837  12.27579       8.531753  
1 1 1 6   26  15 o 153.863 3.3955  12830.52   565.864  13351.70   769.752  12217.69   834.693  156.910 4.5293  150.069 5.1353  6.840683       6.847326  
1 1 1 6   26  16 o 165.637 3.9497  14875.25   708.585  14236.09   865.778  16172.02   1233.19  161.986 4.9347  172.524 6.5995  -10.53819      8.240426  
1 1 1 6   26  17 o 237.272 4.3753  30537.04   1124.41  30828.18   1589.50  30245.42   1590.81  238.213 6.1606  235.943 6.2250  2.270096       8.758080  
1 1 1 6   26  18 o 114.278 3.0208  7078.36    373.897  7403.13    532.454  6762.42    525.161  116.823 4.2081  111.648 4.3428  5.175667       6.047142  
1 1 1 6   26  19 o 113.997 3.0268  7044.66    373.719  6695.00    526.862  7398.75    530.191  111.071 4.3795  116.773 4.1920  -5.702065      6.062422  
1 1 1 6   26  20 o 218.455 4.1562  25901.99   983.391  25245.42   1389.58  26560.74   1391.88  215.417 5.9557  220.980 5.8154  -5.563980      8.323991  
1 1 1 6   26  21 f 203.674 3.9582  22523.40   873.177  21702.82   1233.37  23347.95   1236.36  199.653 5.7036  207.118 5.5113  -7.465530      7.931285  
1 1 1 6   26  22 o 163.116 3.5386  14449.55   625.166  14294.91   921.949  14581.18   850.591  161.966 5.2555  163.664 4.7984  -1.697968      7.116524  
1 1 1 6   26  23 o 93.630  2.9567  4760.55    299.839  4594.40    420.896  4931.76    427.248  91.850  4.2308  95.174  4.1447  -3.323212      5.922692  
1 1 1 6   26  24 o 113.397 3.0711  6992.05    377.200  7694.52    545.134  6346.77    522.470  118.740 4.2387  107.793 4.4751  10.94678       6.163876  
1 1 1 6   26  25 o 71.769  3.2574  2805.52    253.210  2759.53    352.469  2854.56    363.996  70.828  4.6199  72.025  4.6916  -1.196930      6.584428  
1 1 1 6   26  26 o 76.340  3.2833  3179.12    271.473  3337.12    373.375  3001.92    395.414  77.857  4.4461  73.674  4.9846  4.183067       6.679388  
1 1 1 6   26  27 o 22.757  1.5995  282.426    39.175   290.238    254.966  282.237    39.645   23.489  8.1751  22.747  1.6197  0.7415562      8.334047  
1 1 1 6   26  28 o 25.360  7.0447  377.529    200.420  427.615    263.593  308.895    308.563  26.987  8.2520  24.559  8.9447  2.427965       12.16978  
1 1 1 6   26  29 o 95.475  3.0227  4994.08    312.572  4829.44    461.964  5133.11    424.496  93.197  4.5765  96.346  4.0679  -3.149048      6.123110  
1 1 1 6   26  30 o 55.187  4.2724  1704.31    253.388  1532.90    325.278  1968.86    404.105  51.559  5.9329  58.151  6.5289  -6.591583      8.821890  
1 1 1 6   26  31 o 57.730  2.7009  1832.82    168.882  1806.92    183.988  1971.44    425.588  57.152  2.9826  57.125  7.0266  0.2696228E-01  7.633393  
1 1 1 6   26  32 o 25.845  1.5412  365.578    42.947   366.967    43.059   98.065     597.558  25.894  1.5423  23.408  10.669  2.486353       10.78007  
1 1 1 6   26  33 o 17.419  7.7313  27.929     291.076  84.893     336.065  -143.1248  582.359  19.085  8.3963  20.737  9.8076  -1.652491      12.91074  
1 1 1 6   26  34 o 33.326  9.0356  836.707    334.348  695.435    384.926  1270.81    674.758  29.045  10.048  33.747  13.026  -4.701990      16.45171  
1 1 1 6   26  35 o 25.310  8.2194  477.269    257.843  410.481    277.366  902.233    699.647  23.472  8.4909  28.050  12.233  -4.578131      14.89095  
1 1 1 6   27  0  o 588.837 16.268  188498.50  10374.97 191120.00  12342.55 182185.50  19153.32 592.463 19.234  575.229 30.855  17.23468       36.35880  
1 1 1 6   27  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   27  2  f 77.610  2.3624  3262.25    198.586  3233.09    281.460  3291.16    280.229  77.259  3.3635  77.950  3.3191  -0.6909866     4.725454  
1 1 1 6   27  3  o 471.133 8.9176  120353.00  4550.55  124630.00  5572.58  111792.60  7883.72  479.301 10.734  453.451 16.052  25.84943       19.31052  
1 1 1 6   27  4  o 302.245 5.1972  49493.10   1701.38  53094.03   3412.68  48302.07   1962.68  312.863 10.071  298.563 6.0694  14.30005       11.75847  
1 1 1 6   27  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   27  6  o 263.026 5.4673  37485.54   1557.55  0.0000     0.0000   37485.54   1557.55  ?       ?       263.026 5.4673  0.000000       5.467318  
1 1 1 6   27  7  o 515.705 9.9529  144297.50  5559.34  143463.41  9634.94  144713.80  6806.70  513.235 17.333  516.209 12.174  -2.973267      21.18086  
1 1 1 6   27  8  o 320.320 7.8711  55639.30   2730.81  57677.61   3863.93  53605.16   3859.97  325.934 10.945  314.187 11.343  11.74683       15.76272  
1 1 1 6   27  9  o 228.712 6.0405  28354.29   1496.34  26803.42   2117.85  29900.16   2114.43  222.254 8.7978  234.767 8.3154  -12.51268      12.10572  
1 1 1 6   27  10 o 250.108 4.4949  33896.74   1217.62  34778.52   2440.23  33604.41   1405.04  253.115 8.9010  249.001 5.2097  4.114487       10.31359  
1 1 1 6   27  11 o 336.580 5.8434  61425.53   2130.23  57059.36   4263.75  62877.93   2459.15  323.736 12.160  340.472 6.6686  -16.73605      13.86841  
1 1 1 6   27  12 o 380.240 6.4747  78442.30   2666.53  75626.58   5334.79  79380.07   3078.72  372.274 13.231  382.395 7.4334  -10.12094      15.17591  
1 1 1 6   27  13 o 234.732 5.0067  29877.88   1272.90  29940.54   2209.35  29846.74   1557.36  234.671 8.6923  234.533 6.1307  0.1372681      10.63683  
1 1 1 6   27  14 o 383.340 7.5198  79846.66   3122.21  78747.52   5408.78  80395.95   3823.58  379.390 13.163  384.341 9.1851  -4.951141      16.05058  
1 1 1 6   27  15 o 225.760 4.4690  27639.29   1092.77  28688.68   1451.74  26267.34   1659.93  229.896 5.8303  219.871 6.9703  10.02484       9.087181  
1 1 1 6   27  16 o 179.688 4.1660  17508.74   810.787  17149.76   991.225  18234.50   1409.41  177.775 5.1479  183.143 7.1052  -5.368774      8.774088  
1 1 1 6   27  17 o 212.203 4.0326  24419.79   926.845  24073.54   1309.40  24767.48   1312.12  210.544 5.7419  213.565 5.6725  -3.020126      8.071364  
1 1 1 6   27  18 o 259.294 4.6998  36486.91   1319.90  35943.97   1866.04  37030.53   1867.21  257.079 6.7017  260.952 6.6064  -3.872406      9.410448  
1 1 1 6   27  19 o 234.754 4.6290  29916.44   1176.98  29801.88   1563.43  30066.28   1788.09  234.086 6.1664  234.973 7.0259  -0.8870850     9.348139  
1 1 1 6   27  20 o 223.583 4.2325  27136.73   1024.95  27446.85   1448.72  26825.94   1450.29  224.594 5.9555  222.025 6.0309  2.568344       8.475834  
1 1 1 6   27  21 o 129.364 3.1405  9078.27    440.035  8497.00    619.966  9668.39    624.667  125.036 4.5779  133.402 4.3233  -8.366318      6.296654  
1 1 1 6   27  22 o 157.876 3.5013  13537.21   598.718  13231.71   814.172  13896.94   883.500  155.884 4.8222  159.701 5.1077  -3.817429      7.024436  
1 1 1 6   27  23 o 66.474  2.5265  2397.99    181.905  2539.27    318.296  2329.46    221.671  68.131  4.3359  65.481  3.1255  2.650093       5.344999  
1 1 1 6   27  24 o 152.515 3.3953  12661.39   560.875  13124.82   770.952  12140.32   817.486  154.954 4.5936  148.878 5.0697  6.075363       6.841249  
1 1 1 6   27  25 o 19.976  6.7801  206.864    175.040  279.588    240.288  124.641    255.500  23.183  7.9436  19.904  7.9153  3.279554       11.21394  
1 1 1 6   27  26 o 106.769 3.1163  6215.32    360.375  5879.82    502.949  6569.30    516.620  103.474 4.4877  109.416 4.3594  -5.941437      6.256458  
1 1 1 6   27  27 o 52.993  4.1042  1551.17    233.734  1654.99    328.749  1445.06    332.379  54.280  5.6758  50.504  6.2069  3.776188       8.410723  
1 1 1 6   27  28 o 43.436  2.1946  1029.54    102.913  1188.07    289.804  1006.66    110.088  45.629  6.0102  42.922  2.3773  2.707657       6.463292  
1 1 1 6   27  29 o 42.626  5.3984  1035.34    243.650  1189.06    317.529  815.228    379.960  45.162  6.6942  36.052  9.5708  9.110027       11.67954  
1 1 1 6   27  30 o 60.223  2.6856  1986.18    175.177  1828.66    193.113  2717.96    416.229  57.598  3.1070  68.973  5.6205  -11.37498      6.422130  
1 1 1 6   27  31 o 58.803  2.4770  1897.88    157.764  1690.02    336.850  1956.29    178.558  53.600  5.9000  59.603  2.7659  -6.003269      6.516153  
1 1 1 6   27  32 o 17.348  7.2380  99.915     226.374  55.193     308.422  152.144    333.308  18.461  8.0845  20.353  8.6529  -1.891975      11.84192  
1 1 1 6   27  33 o 18.788  8.0654  116.659    294.686  163.167    338.390  -29.3121   599.501  20.209  8.6582  21.735  10.176  -1.526342      13.36099  
1 1 1 6   27  34 o 31.491  12.728  1100.60    671.980  0.0000     0.0000   1100.60    671.980  ?       ?       31.491  12.728  0.000000       12.72826  
1 1 1 6   27  35 o 23.891  11.031  407.912    667.326  0.0000     0.0000   407.912    667.326  ?       ?       23.891  11.031  0.000000       11.03095  
1 1 1 6   28  0  o 344.863 5.9554  64441.16   2224.48  66274.77   3146.25  62608.41   3145.52  349.648 8.3079  339.829 8.5460  9.819061       11.91870  
1 1 1 6   28  1  o 193.551 3.6132  20291.60   757.464  21901.04   1016.47  18281.77   1135.89  201.067 4.6675  183.689 5.7093  17.37834       7.374366  
1 1 1 6   28  2  o 451.278 8.6141  110413.20  4210.41  117088.00  7297.10  107081.90  5155.11  464.236 14.512  444.281 10.713  19.95505       18.03827  
1 1 1 6   28  3  o 715.911 23.739  280007.50  18407.34 280007.50  18407.34 0.0000     0.0000   715.911 23.739  ?       ?       0.000000       23.73897  
1 1 1 6   28  4  o 187.407 4.2909  19025.70   870.968  17696.46   1518.58  19677.29   1063.22  180.681 7.7599  190.577 5.1509  -9.895721      9.313857  
1 1 1 6   28  5  o 166.078 3.7424  14940.62   673.189  0.0000     0.0000   14940.62   673.189  ?       ?       166.078 3.7424  0.000000       3.742435  
1 1 1 6   28  6  o 213.521 5.6766  24704.33   1312.80  0.0000     0.0000   24704.33   1312.80  ?       ?       213.521 5.6766  0.000000       5.676620  
1 1 1 6   28  7  o 258.546 9.3701  36263.41   2623.93  36263.41   2623.93  0.0000     0.0000   258.546 9.3701  ?       ?       0.000000       9.370093  
1 1 1 6   28  8  o 648.116 17.857  229118.00  12534.94 232547.30  14895.88 220797.91  23202.07 652.029 21.093  629.436 34.161  22.59259       40.14835  
1 1 1 6   28  9  o 485.961 11.540  128349.40  6074.08  127805.90  8591.20  128892.60  8588.91  484.056 16.387  486.125 16.312  -2.069275      23.12175  
1 1 1 6   28  10 o 356.232 6.0884  68804.06   2349.12  64498.24   4701.70  70236.52   2711.87  344.242 12.610  359.856 6.9578  -15.61398      14.40231  
1 1 1 6   28  11 o 372.473 6.4182  75250.16   2589.29  70109.86   5180.56  76961.85   2989.48  358.601 13.338  376.596 7.3291  -17.99588      15.21912  
1 1 1 6   28  12 o 188.715 3.7261  19298.71   761.598  18207.21   1525.57  19661.04   878.963  183.111 7.6921  190.460 4.2609  -7.348312      8.793377  
1 1 1 6   28  13 f 652.547 11.627  232267.59  8217.72  225889.91  15179.93 234911.50  9773.75  637.670 21.979  655.305 13.770  -17.63477      25.93628  
1 1 1 6   28  14 o 165.808 3.8982  14902.25   700.076  15360.11   1214.95  14674.66   856.575  168.187 6.6696  164.498 4.8077  3.689209       8.221725  
1 1 1 6   28  15 o 177.189 4.1359  17022.84   793.741  17875.89   1373.88  16595.45   972.456  181.375 6.9936  174.895 5.1336  6.479858       8.675528  
1 1 1 6   28  16 o 65.482  4.1558  2334.54    293.215  2045.85    404.350  2654.71    425.818  61.061  6.2000  69.697  5.6905  -8.635929      8.415551  
1 1 1 6   28  17 o 231.923 4.3095  29175.68   1082.54  28024.99   1530.90  30326.52   1530.99  227.107 6.2237  236.279 5.9825  -9.171310      8.632708  
1 1 1 6   28  18 o 189.134 3.7654  19398.78   771.342  18714.95   1091.60  20080.71   1090.08  185.633 5.4292  192.306 5.2336  -6.673630      7.540998  
1 1 1 6   28  19 o 230.576 4.8037  28867.59   1199.65  28556.35   1695.74  29179.43   1697.39  229.022 6.8362  231.519 6.7690  -2.497070      9.620437  
1 1 1 6   28  20 o 201.017 3.9185  21929.42   853.145  22012.10   1208.12  21847.18   1204.94  201.182 5.5444  200.426 5.5506  0.7560120      7.845360  
1 1 1 6   28  21 o 107.981 2.8980  6323.87    338.928  6279.55    489.811  6364.58    469.469  107.513 4.2063  108.254 4.0040  -0.7414398     5.807293  
1 1 1 6   28  22 o 82.422  2.9942  3687.09    267.298  3524.36    374.769  3855.58    381.350  80.372  4.3210  84.196  4.1818  -3.823914      6.013216  
1 1 1 6   28  23 o 121.951 3.0799  8080.06    406.811  8209.96    573.562  7948.55    577.089  122.737 4.3145  120.750 4.4125  1.987305       6.171333  
1 1 1 6   28  24 o 33.556  5.3393  632.360    187.552  774.131    257.159  471.260    274.130  36.898  6.6807  28.724  8.3271  8.174110       10.67581  
1 1 1 6   28  25 o 78.982  2.6229  3391.38    224.382  3167.86    385.747  3505.68    275.851  75.868  4.7177  80.230  3.1744  -4.362541      5.686296  
1 1 1 6   28  26 o 22.846  1.1951  283.710    29.468   285.938    29.661   114.173    258.758  22.935  1.1982  19.684  7.9186  3.250956       8.008721  
1 1 1 6   28  27 o 57.125  3.6814  1794.89    226.562  1608.38    313.332  1999.25    327.986  53.556  5.4788  59.892  5.1048  -6.336102      7.488407  
1 1 1 6   28  28 o 71.801  2.6700  2813.38    207.639  2487.75    374.397  2958.03    249.530  66.613  5.2313  73.518  3.1337  -6.904495      6.098106  
1 1 1 6   28  29 f 10.109  2.6076  57.936     28.739   57.757     28.837   84.155     349.158  10.095  2.6160  21.025  8.8934  -10.93034      9.270211  
1 1 1 6   28  30 o 37.242  1.2712  753.065    51.278   474.283    277.929  762.889    52.174   27.746  8.4715  37.483  1.2851  -9.737509      8.568417  
1 1 1 6   28  31 o 82.040  3.5467  3749.53    315.156  3592.34    414.824  3964.14    484.681  79.216  4.8583  82.665  5.4438  -3.449051      7.296395  
1 1 1 6   28  32 o 33.878  9.7771  834.515    378.682  0.0000     0.0000   834.515    378.682  ?       ?       33.878  9.7771  0.000000       9.777146  
1 1 1 6   28  33 o 32.919  12.620  1042.90    630.291  0.0000     0.0000   1042.90    630.291  ?       ?       32.919  12.620  0.000000       12.61997  
1 1 1 6   28  34 o 32.697  12.611  1154.27    631.998  0.0000     0.0000   1154.27    631.998  ?       ?       32.697  12.611  0.000000       12.61086  
1 1 1 6   28  35 o 11.376  3.9078  70.809     58.166   0.0000     0.0000   70.809     58.166   ?       ?       11.376  3.9078  0.000000       3.907791  
1 1 1 6   29  0  o 366.702 6.4072  72868.06   2544.80  75204.95   3599.40  70532.48   3598.38  372.426 8.9232  360.657 9.2118  11.76920       12.82496  
1 1 1 6   29  1  o 406.996 6.5247  89764.16   2876.23  91430.66   4067.94  88098.21   4067.25  410.627 9.1466  403.065 9.3166  7.562408       13.05595  
1 1 1 6   29  2  o 439.952 12.411  105073.50  5914.06  104708.00  10788.78 105230.50  7071.13  437.353 22.855  440.055 14.836  -2.701874      27.24795  
1 1 1 6   29  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   29  4  o 669.422 22.231  244671.50  16118.67 0.0000     0.0000   244671.50  16118.67 ?       ?       669.422 22.231  0.000000       22.23100  
1 1 1 6   29  5  o 213.128 4.7097  24608.69   1087.18  0.0000     0.0000   24608.69   1087.18  ?       ?       213.128 4.7097  0.000000       4.709671  
1 1 1 6   29  6  o 330.506 11.501  59302.35   4117.11  59302.35   4117.11  0.0000     0.0000   330.506 11.501  ?       ?       0.000000       11.50120  
1 1 1 6   29  7  o 153.826 4.6492  12820.18   774.604  13243.69   1100.01  12403.61   1090.96  156.313 6.4973  151.271 6.6586  5.042160       9.303308  
1 1 1 6   29  8  o 917.787 21.420  461191.31  21293.15 465399.91  30114.10 456983.31  30112.01 916.966 30.321  908.453 30.603  8.512573       43.08055  
1 1 1 6   29  9  o 257.627 4.6841  35965.95   1307.04  35085.11   2620.22  36257.73   1508.07  254.206 9.5166  258.644 5.3833  -4.437759      10.93368  
1 1 1 6   29  10 o 111.480 2.8792  6732.11    347.647  6090.90    704.958  6938.16    399.619  105.805 6.1784  113.169 3.2602  -7.363159      6.985855  
1 1 1 6   29  11 o 178.065 3.5261  17179.52   680.047  19917.89   1365.95  16277.12   784.133  191.614 6.5817  173.307 4.1774  18.30611       7.795455  
1 1 1 6   29  12 o 242.302 4.6155  31826.86   1211.29  29885.20   2272.52  32597.40   1431.60  234.466 8.9487  245.172 5.3911  -10.70564      10.44714  
1 1 1 6   29  13 o 157.388 3.3116  13422.86   564.519  13874.73   1132.49  13273.46   651.191  159.876 6.5400  156.493 3.8419  3.382706       7.584971  
1 1 1 6   29  14 o 134.989 3.1692  9874.45    463.356  9607.28    973.183  9952.76    526.914  132.829 6.7871  135.512 3.5900  -2.682785      7.678070  
1 1 1 6   29  15 o 149.751 3.2771  12153.74   531.527  12458.75   1053.18  12049.50   615.690  151.456 6.4202  149.088 3.8129  2.368042       7.467025  
1 1 1 6   29  16 o 88.916  4.0365  4287.07    388.734  4625.98    542.203  3928.62    557.626  92.155  5.4565  84.830  6.1100  7.324852       8.191781  
1 1 1 6   29  17 o 117.978 3.4681  7545.61    443.159  6765.30    754.466  7956.64    547.575  111.403 6.2784  121.120 4.1741  -9.716919      7.539269  
1 1 1 6   29  18 o 55.650  3.9117  1687.97    234.279  1594.28    377.783  1746.53    298.640  53.739  6.6312  56.508  4.9288  -2.768673      8.262283  
1 1 1 6   29  19 o 264.096 4.7862  37871.84   1369.06  38950.71   1935.36  36791.21   1936.93  267.497 6.6800  259.935 6.8798  7.561584       9.589269  
1 1 1 6   29  20 o 133.372 3.1717  9647.02    458.171  9707.74    646.855  9585.90    649.054  133.697 4.4670  132.852 4.5107  0.8453217      6.348257  
1 1 1 6   29  21 o 102.191 3.0079  5664.98    332.922  6495.59    475.260  4864.67    466.509  109.355 4.0126  94.595  4.5532  14.75970       6.068987  
1 1 1 6   29  22 o 166.331 3.5144  15030.31   633.125  15036.90   891.038  15023.60   899.774  166.108 4.9526  166.024 5.0037  0.8430481E-01  7.040293  
1 1 1 6   29  23 o 61.388  3.2241  2053.97    213.616  1835.49    298.770  2282.45    305.542  57.784  4.8177  64.552  4.3963  -6.767937      6.522052  
1 1 1 6   29  24 o 119.887 3.1151  7819.04    404.494  7489.26    566.084  8163.07    578.190  117.052 4.4651  122.229 4.3674  -5.176727      6.245923  
1 1 1 6   29  25 f 99.129  3.0880  5350.87    331.554  5343.90    462.657  5358.23    475.378  98.806  4.3232  98.910  4.4374  -0.1042252     6.195205  
1 1 1 6   29  26 o 129.044 3.2347  9086.57    452.107  9534.35    643.937  8651.27    634.909  131.717 4.5137  125.403 4.6745  6.314217       6.498023  
1 1 1 6   29  27 o 17.858  6.7334  136.810    177.563  129.940    243.891  144.558    259.017  19.503  7.7405  20.200  7.9897  -0.6979523     11.12431  
1 1 1 6   29  28 o 48.473  4.2525  1306.99    221.007  1529.28    298.608  1037.73    328.649  52.073  5.3716  41.971  7.5050  10.10117       9.229255  
1 1 1 6   29  29 o 17.511  7.5834  2.0884     265.032  -361.9325  402.911  279.729    351.874  17.395  8.2058  24.342  9.4038  -6.946466      12.48061  
1 1 1 6   29  30 o 15.702  7.1413  -115.3938  265.852  178.606    406.378  -335.3601  351.507  23.277  9.7036  16.016  7.5880  7.260374       12.31819  
1 1 1 6   29  31 o 28.345  8.6185  526.784    288.093  302.232    449.123  683.777    375.533  24.796  10.258  31.493  9.8862  -6.697317      14.24627  
1 1 1 6   29  32 o 33.716  1.8473  623.844    67.203   0.0000     0.0000   623.844    67.203   ?       ?       33.716  1.8473  0.000000       1.847311  
1 1 1 6   29  33 o 26.541  10.448  535.707    440.967  0.0000     0.0000   535.707    440.967  ?       ?       26.541  10.448  0.000000       10.44795  
1 1 1 6   29  34 o 29.362  2.3199  480.409    73.176   0.0000     0.0000   480.409    73.176   ?       ?       29.362  2.3199  0.000000       2.319860  
1 1 1 6   30  0  o 376.302 5.9035  76727.01   2406.13  83230.51   3403.65  70230.13   3401.91  391.836 8.0199  359.902 8.7271  31.93347       11.85245  
1 1 1 6   30  1  o 493.603 9.0141  132113.70  4819.12  134413.20  6305.13  128883.20  7473.36  497.664 11.697  487.076 14.166  10.58798       18.37134  
1 1 1 6   30  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   30  3  o 346.272 6.9019  64985.22   2588.55  70670.54   4479.26  62134.48   3171.81  360.854 11.461  338.517 8.6508  22.33777       14.35897  
1 1 1 6   30  4  o 345.003 6.6617  64508.11   2489.29  62986.20   4307.81  65271.07   3050.09  340.641 11.676  346.973 8.1161  -6.332123      14.21959  
1 1 1 6   30  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   30  6  o 727.594 38.721  295835.31  30404.36 295835.31  30404.36 0.0000     0.0000   727.594 38.721  ?       ?       0.000000       38.72065  
1 1 1 6   30  7  o 54.481  4.3353  1618.29    253.704  1517.91    371.098  1706.37    347.635  52.495  6.6779  55.808  5.8376  -3.312832      8.869714  
1 1 1 6   30  8  o 226.539 4.2125  27805.08   1033.60  25945.39   2076.70  28417.46   1191.69  218.667 8.7684  229.005 4.8045  -10.33759      9.998380  
1 1 1 6   30  9  o 405.389 6.9446  89126.88   3049.22  83226.29   6102.89  91089.93   3520.09  390.813 14.418  409.740 7.9319  -18.92706      16.45555  
1 1 1 6   30  10 o 117.154 2.9114  7435.04    369.431  7183.54    747.804  7516.23    424.901  114.942 6.0277  117.786 3.3306  -2.844498      6.886699  
1 1 1 6   30  11 o 96.095  2.7269  5002.43    283.822  4492.50    593.086  5153.90    323.237  90.808  6.0650  97.535  3.0598  -6.727211      6.793072  
1 1 1 6   30  12 o 204.563 3.9304  22679.19   870.825  21826.63   1745.83  22961.57   1004.74  200.437 8.0418  205.808 4.5074  -5.371033      9.218843  
1 1 1 6   30  13 o 290.451 5.0846  45752.88   1599.57  48160.94   3202.49  44952.43   1846.39  297.387 9.9425  287.825 5.9228  9.562347       11.57293  
1 1 1 6   30  14 o 136.446 3.1187  10088.64   460.889  9841.26    924.128  10170.54   531.739  134.630 6.3375  136.985 3.5839  -2.354492      7.280707  
1 1 1 6   30  15 o 220.630 4.1556  26394.53   993.035  25056.20   1979.07  26844.86   1148.02  214.535 8.5171  222.461 4.7646  -7.925629      9.759224  
1 1 1 6   30  16 o 370.057 9.1972  74661.81   3686.34  71901.39   7593.42  75512.98   4216.55  358.414 19.635  371.791 10.471  -13.37704      22.25281  
1 1 1 6   30  17 o 163.023 3.5987  14409.07   635.433  14792.56   1208.43  14262.51   747.051  164.940 6.7643  162.156 4.2535  2.784882       7.990544  
1 1 1 6   30  18 o 100.751 3.3812  5503.61    368.970  5328.19    630.815  5594.83    454.902  98.839  5.9198  101.554 4.1357  -2.714828      7.221388  
1 1 1 6   30  19 o 359.332 7.1554  70347.66   2784.82  64891.95   4821.33  73079.12   3411.45  342.763 12.987  365.749 8.6116  -22.98660      15.58263  
1 1 1 6   30  20 o 199.123 4.7410  21543.59   1022.50  21650.23   1645.31  21476.49   1305.13  199.094 7.6299  198.604 6.0673  0.4898071      9.748259  
1 1 1 6   30  21 o 194.099 4.4362  20480.70   932.623  20307.54   1615.49  20567.26   1142.18  192.525 7.7472  194.325 5.4267  -1.799118      9.458761  
1 1 1 6   30  22 o 127.303 3.6089  8807.29    497.602  8536.13    860.531  8943.50    609.912  124.705 6.3926  128.176 4.3933  -3.471161      7.756663  
1 1 1 6   30  23 o 222.247 4.8829  26984.99   1175.40  27417.86   2035.71  26768.52   1439.61  222.088 8.4629  220.854 6.0182  1.233994       10.38460  
1 1 1 6   30  24 o 60.899  4.1905  2034.81    274.721  2389.59    490.358  1872.51    331.659  65.298  7.0450  58.172  5.3229  7.125443       8.829764  
1 1 1 6   30  25 o 94.548  3.6345  4879.04    372.192  4784.43    651.958  4924.78    453.323  92.612  6.5416  94.816  4.4143  -2.203514      7.891662  
1 1 1 6   30  26 o 110.162 3.4512  6629.61    411.788  6188.38    660.520  6910.13    526.666  105.451 5.8055  112.187 4.3343  -6.736565      7.245033  
1 1 1 6   30  27 o 82.489  3.1054  3716.98    277.451  3565.45    594.408  3759.20    313.723  79.140  7.0070  82.861  3.4956  -3.720871      7.830542  
1 1 1 6   30  28 o 28.824  1.7995  453.291    55.898   450.297    57.058   524.651    278.593  28.723  1.8438  29.540  8.3413  -0.8170567     8.542652  
1 1 1 6   30  29 o 45.090  2.0882  1107.53    101.980  622.388    452.592  1133.48    104.672  31.739  10.901  45.612  2.1188  -13.87224      11.10474  
1 1 1 6   30  30 o 29.378  8.4377  539.943    282.644  346.780    438.801  676.917    369.509  26.260  10.395  32.349  9.7438  -6.089281      14.24782  
1 1 1 6   30  31 o 17.750  1.6012  173.067    30.451   228.555    435.266  172.794    30.526   23.486  9.9318  17.735  1.6066  5.750814       10.06087  
1 1 1 6   30  32 o 35.850  8.6873  882.784    333.783  0.0000     0.0000   882.784    333.783  ?       ?       35.850  8.6873  0.000000       8.687269  
1 1 1 6   30  33 o 17.519  8.3234  -233.9285  428.770  0.0000     0.0000   -233.9285  428.770  ?       ?       17.519  8.3234  0.000000       8.323411  
1 1 1 6   30  34 o 14.727  7.3287  -750.6432  460.400  0.0000     0.0000   -750.6432  460.400  ?       ?       14.727  7.3287  0.000000       7.328678  
1 1 1 6   31  0  o 395.990 6.6579  84979.51   2855.56  84836.88   4038.82  85122.07   4037.92  395.518 9.4280  396.183 9.4100  -0.6653137     13.32049  
1 1 1 6   31  1  o 552.830 11.633  165869.09  6965.43  191710.59  16760.12 160473.91  7658.11  591.741 26.150  543.617 13.006  48.12408       29.20617  
1 1 1 6   31  2  o 842.713 27.936  389513.31  25498.25 0.0000     0.0000   389513.31  25498.25 ?       ?       842.713 27.936  0.000000       27.93576  
1 1 1 6   31  3  o 355.875 7.1601  68645.56   2759.87  70584.63   4776.02  67673.45   3381.64  360.567 12.230  353.266 8.8380  7.300629       15.08881  
1 1 1 6   31  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   31  5  o 506.475 16.994  139670.70  9322.25  139670.70  9322.25  0.0000     0.0000   506.475 16.994  ?       ?       0.000000       16.99386  
1 1 1 6   31  6  o 641.721 14.984  224043.50  10414.86 232234.59  14730.17 215855.50  14727.51 651.943 20.861  628.320 21.641  23.62280       30.05832  
1 1 1 6   31  7  o 180.690 3.6310  17686.45   710.600  17225.87   1434.97  17836.10   817.931  178.234 7.4333  181.444 4.1620  -3.209991      8.519182  
1 1 1 6   31  8  o 282.312 4.9417  43190.46   1511.05  44647.69   3030.63  42708.34   1743.17  286.760 9.7576  280.700 5.7336  6.059906       11.31748  
1 1 1 6   31  9  o 216.317 4.0981  25354.36   960.153  24199.69   1928.92  25734.69   1107.05  211.154 8.4342  217.916 4.6904  -6.762085      9.650681  
1 1 1 6   31  10 o 59.653  2.7930  1927.68    180.458  1272.96    386.179  2110.58    204.113  47.828  7.7175  62.418  3.0192  -14.58952      8.287067  
1 1 1 6   31  11 o 202.834 3.8955  22295.19   855.796  21364.79   1715.97  22603.22   987.350  198.344 7.9877  204.209 4.4640  -5.864700      9.150418  
1 1 1 6   31  12 o 154.310 3.2494  12902.21   543.081  12759.24   1094.80  12948.88   625.460  153.323 6.5926  154.575 3.7359  -1.252151      7.577525  
1 1 1 6   31  13 o 101.769 2.8711  5611.47    316.475  4912.97    637.363  5840.04    364.597  94.938  6.2330  103.814 3.2425  -8.876434      7.025985  
1 1 1 6   31  14 o 176.526 3.5449  16889.54   677.763  15997.01   1359.10  17184.97   781.929  171.566 7.3139  178.040 4.0549  -6.473984      8.362739  
1 1 1 6   31  15 o 211.892 4.2586  24347.23   977.361  23621.29   1838.69  24633.12   1153.88  208.340 8.1483  213.079 4.9998  -4.738937      9.559904  
1 1 1 6   31  16 o 72.425  3.4134  2843.31    267.759  2477.17    450.435  3043.39    332.976  67.238  6.2569  74.800  4.1260  -7.561707      7.494837  
1 1 1 6   31  17 o 238.695 4.3986  30908.68   1137.17  27664.50   2266.40  32000.22   1314.63  225.145 9.2940  242.811 4.9988  -17.66670      10.55305  
1 1 1 6   31  18 o 216.242 4.4917  25376.49   1052.01  21373.47   2483.66  26251.71   1161.33  196.929 11.697  219.898 4.8760  -22.96819      12.67238  
1 1 1 6   31  19 o 270.126 4.8617  39629.50   1422.42  36652.03   2840.06  40626.45   1643.39  258.543 10.142  273.384 5.5500  -14.84140      11.56131  
1 1 1 6   31  20 o 144.642 3.2953  11348.84   516.253  11205.84   1017.24  11398.45   599.145  143.377 6.5505  144.917 3.8172  -1.539780      7.581544  
1 1 1 6   31  21 o 103.774 3.0666  5843.15    344.674  6094.11    674.570  5754.48    400.966  105.540 5.9252  102.946 3.5961  2.593742       6.931020  
1 1 1 6   31  22 o 136.478 3.6953  10125.75   546.239  9285.56    944.581  10547.90   669.548  129.952 6.7341  139.176 4.4417  -9.224136      8.066983  
1 1 1 6   31  23 o 73.535  2.8972  2937.89    230.748  3424.25    550.079  2834.03    254.194  78.619  6.5187  72.194  3.2508  6.425484       7.284345  
1 1 1 6   31  24 o 58.304  2.4220  1846.31    152.947  1647.06    470.803  1869.81    161.718  53.652  8.3755  58.665  2.5451  -5.013706      8.753688  
1 1 1 6   31  25 o 29.014  7.1626  488.099    223.727  392.480    410.128  528.608    266.944  28.220  10.307  30.126  8.0337  -1.905565      13.06816  
1 1 1 6   31  26 o 51.622  4.7239  1478.77    261.197  1318.78    472.330  1549.25    313.493  47.032  9.5972  52.601  5.5881  -5.569778      11.10551  
1 1 1 6   31  27 o 36.897  6.2782  782.857    241.912  512.712    438.317  901.189    290.096  30.315  10.707  39.377  7.0614  -9.061293      12.82573  
1 1 1 6   31  28 o 75.987  2.6796  3152.42    220.533  3536.49    305.170  2732.61    319.054  80.251  3.5109  70.212  4.2150  10.03935       5.485709  
1 1 1 6   31  29 o 50.871  4.6550  1453.71    253.640  1708.32    480.275  1355.24    298.690  53.036  8.6597  48.634  5.7838  4.402596       10.41360  
1 1 1 6   31  30 o 31.551  1.9320  544.591    65.706   426.379    441.513  547.269    66.446   27.511  10.559  31.626  1.9493  -4.115147      10.73706  
1 1 1 6   31  31 o 20.336  7.9512  207.017    253.910  333.689    439.346  143.490    311.131  24.893  10.205  20.176  8.4571  4.717113       13.25384  
1 1 1 6   31  32 o 22.538  9.8768  186.466    461.042  0.0000     0.0000   186.466    461.042  ?       ?       22.538  9.8768  0.000000       9.876777  
1 1 1 6   31  33 o 21.899  9.7749  181.694    472.079  0.0000     0.0000   181.694    472.079  ?       ?       21.899  9.7749  0.000000       9.774887  
1 1 1 6   31  34 o 18.413  8.6468  -80.7760   438.475  0.0000     0.0000   -80.7760   438.475  ?       ?       18.413  8.6468  0.000000       8.646816  
1 1 1 6   32  0  o 60.355  3.0614  1978.13    199.471  1529.51    330.324  2235.61    250.249  52.803  5.8754  64.142  3.6169  -11.33846      6.899437  
1 1 1 6   32  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   32  2  o 383.790 7.5253  79844.25   3128.16  83233.58   5414.22  78145.91   3832.57  391.498 12.768  379.589 9.3220  11.90933       15.80920  
1 1 1 6   32  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   32  4  o 763.846 25.358  319707.31  20979.25 319707.31  20979.25 0.0000     0.0000   763.846 25.358  ?       ?       0.000000       25.35794  
1 1 1 6   32  5  o 465.163 15.686  117747.20  7903.08  117747.20  7903.08  0.0000     0.0000   465.163 15.686  ?       ?       0.000000       15.68632  
1 1 1 6   32  6  o 868.172 28.916  415655.50  27190.25 0.0000     0.0000   415655.50  27190.25 ?       ?       868.172 28.916  0.000000       28.91594  
1 1 1 6   32  7  o 619.888 10.366  208658.20  6960.08  194523.20  13924.63 213365.91  8035.94  595.863 21.576  626.586 11.841  -30.72290      24.61145  
1 1 1 6   32  8  f 340.786 6.3993  62967.36   2362.03  59642.39   4395.23  64317.59   2800.87  331.147 12.254  344.344 7.5098  -13.19684      14.37243  
1 1 1 6   32  9  o 427.840 7.2719  99303.84   3369.75  90452.23   6744.00  102249.10  3890.19  407.105 15.295  434.026 8.2753  -26.92075      17.38989  
1 1 1 6   32  10 o 189.713 3.7884  19502.04   778.435  17786.27   1565.27  20065.82   897.259  181.000 7.9844  192.420 4.3052  -11.41986      9.071133  
1 1 1 6   32  11 o 112.922 2.8638  6908.19    350.264  7257.50    711.006  6796.25    402.493  115.678 5.6748  111.996 3.3181  3.681358       6.573683  
1 1 1 6   32  12 o 61.007  2.1734  2016.07    143.612  1670.60    388.079  2070.88    154.586  55.082  6.6387  61.830  2.3084  -6.747932      7.028589  
1 1 1 6   32  13 o 103.325 2.7764  5784.33    310.718  4694.33    646.844  6111.29    354.267  92.763  6.4787  106.200 3.0799  -13.43669      7.173552  
1 1 1 6   32  14 o 112.127 2.9480  6812.64    358.025  7121.95    721.060  6711.42    412.460  114.398 5.8389  111.280 3.4221  3.118286       6.767853  
1 1 1 6   32  15 o 223.680 4.2254  27131.68   1023.68  26658.20   2048.39  27289.29   1181.84  221.264 8.5473  224.281 4.8652  -3.016541      9.834973  
1 1 1 6   32  16 o 579.255 11.190  183589.50  7020.57  178235.80  12158.75 186267.09  8598.84  564.547 19.885  582.018 13.641  -17.47144      24.11361  
1 1 1 6   32  17 f 101.634 2.9735  5598.54    327.327  6057.75    639.225  5435.33    381.081  105.462 5.6164  100.126 3.5140  5.336029       6.625090  
1 1 1 6   32  18 o 80.965  3.0099  3553.51    263.945  3427.53    503.342  3601.29    309.983  79.188  5.9112  81.493  3.5119  -2.304581      6.875732  
1 1 1 6   32  19 o 209.744 4.2994  23880.20   976.720  23489.05   1833.19  24035.26   1154.18  207.389 8.1611  210.329 5.0665  -2.939468      9.605914  
1 1 1 6   32  20 o 129.640 3.1377  9116.01    440.574  8200.56    859.637  9442.12    513.083  122.473 6.5038  131.907 3.5913  -9.434135      7.429425  
1 1 1 6   32  21 o 78.199  2.6453  3316.59    224.053  3588.18    500.273  3248.45    250.590  80.912  5.7459  77.375  2.9902  3.536835       6.477382  
1 1 1 6   32  22 o 138.181 3.2961  10373.53   493.302  10403.60   951.563  10362.48   576.873  137.779 6.3766  138.026 3.8588  -0.2470703     7.453231  
1 1 1 6   32  23 o 222.935 4.2179  27108.31   1018.46  27616.85   2041.75  26939.86   1175.10  222.627 8.4675  221.971 4.8877  0.6564636      9.776902  
1 1 1 6   32  24 o 76.276  3.3025  3168.29    272.837  2467.88    556.701  3389.70    313.006  66.024  7.9443  78.846  3.6653  -12.82136      8.749016  
1 1 1 6   32  25 o 48.080  1.8963  1254.72    98.753   615.712    435.474  1289.36    101.394  32.818  10.683  48.738  1.9208  -15.91951      10.85419  
1 1 1 6   32  26 o 127.689 3.2451  8900.63    448.803  9118.80    899.824  8828.39    517.808  127.549 6.5354  126.994 3.7646  0.5548325      7.542076  
1 1 1 6   32  27 o 111.979 3.2557  6858.67    394.866  7301.03    781.979  6707.27    457.474  113.794 6.3702  110.530 3.8213  3.264061       7.428458  
1 1 1 6   32  28 o 49.011  4.5333  1342.18    237.922  1204.94    470.312  1389.39    275.818  43.926  10.097  49.634  5.2083  -5.708019      11.36099  
1 1 1 6   32  29 o 24.485  7.2661  355.703    206.613  51.142     424.994  449.963    236.434  22.208  9.6103  27.304  7.6753  -5.095615      12.29910  
1 1 1 6   32  30 o 7.6452  3.2871  -2.6946    49.084   285.673    432.199  -6.4625    49.404   25.072  10.182  7.5303  3.2676  17.54180       10.69331  
1 1 1 6   32  31 o 29.827  1.1795  483.558    38.104   490.653    38.366   -30.3219   326.510  30.045  1.1790  17.960  8.0647  12.08480       8.150384  
1 1 1 6   32  32 o 23.600  9.8657  306.985    421.711  0.0000     0.0000   306.985    421.711  ?       ?       23.600  9.8657  0.000000       9.865668  
1 1 1 6   32  33 o 36.220  11.226  1118.00    485.938  0.0000     0.0000   1118.00    485.938  ?       ?       36.220  11.226  0.000000       11.22581  
1 1 1 6   32  34 o 32.829  11.442  1023.62    499.542  0.0000     0.0000   1023.62    499.542  ?       ?       32.829  11.442  0.000000       11.44204  
1 1 1 6   33  0  o 669.106 15.940  243501.00  11552.04 253677.59  16333.34 233315.09  16340.75 681.589 22.125  653.422 23.089  28.16736       31.97848  
1 1 1 6   33  1  o 579.280 11.041  182106.91  6927.23  195342.30  11996.29 175485.80  8484.80  598.832 18.496  568.320 13.784  30.51190       23.06717  
1 1 1 6   33  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   33  3  o 482.916 25.258  128099.10  13165.39 128099.10  13165.39 0.0000     0.0000   482.916 25.258  ?       ?       0.000000       25.25827  
1 1 1 6   33  4  o 143.873 6.3907  11218.60   995.857  11218.60   995.857  0.0000     0.0000   143.873 6.3907  ?       ?       0.000000       6.390704  
1 1 1 6   33  5  o 344.326 7.6822  64286.06   2865.01  65109.82   6688.52  64100.95   3170.61  345.117 17.955  343.781 8.5151  1.335419       19.87220  
1 1 1 6   33  6  o 388.987 6.6802  82028.95   2814.48  77237.19   5635.70  83621.12   3248.59  376.809 13.809  392.681 7.6381  -15.87207      15.78047  
1 1 1 6   33  7  o 473.962 8.1651  121871.20  4191.56  112787.30  8388.48  124894.10  4838.97  454.602 17.037  479.676 9.3140  -25.07401      19.41635  
1 1 1 6   33  8  o 289.023 5.1414  45274.64   1609.46  42899.23   3226.23  46061.66   1857.04  280.971 10.601  291.488 5.8821  -10.51709      12.12390  
1 1 1 6   33  9  o 172.030 3.4710  16033.62   646.731  16120.50   1306.39  16005.41   744.342  172.383 6.9969  171.866 3.9986  0.5164948      8.058917  
1 1 1 6   33  10 o 663.013 11.015  239258.30  7909.81  238826.09  15823.77 239402.20  9132.66  657.373 22.224  662.657 12.724  -5.283997      25.60918  
1 1 1 6   33  11 o 357.686 6.1414  69412.37   2379.25  69546.38   4763.37  69367.82   2746.40  357.049 12.317  357.463 7.0935  -0.4132080     14.21386  
1 1 1 6   33  12 o 250.260 4.5655  33956.01   1237.50  31041.11   2478.37  34924.13   1428.30  238.818 9.5814  253.760 5.1967  -14.94281      10.89996  
1 1 1 6   33  13 o 157.301 3.2777  13408.75   558.434  14419.64   1125.18  13078.37   643.248  162.972 6.3744  155.332 3.8234  7.639954       7.433099  
1 1 1 6   33  14 o 117.413 3.0304  7470.48    385.373  7161.52    773.540  7572.48    444.457  114.672 6.2517  118.200 3.4717  -3.528038      7.150953  
1 1 1 6   33  15 o 177.945 3.6104  17165.03   695.849  18168.68   1393.75  16831.78   803.105  182.820 7.0387  176.178 4.2087  6.641602       8.200993  
1 1 1 6   33  16 o 283.713 5.8721  43717.37   1804.45  42884.51   3119.05  44136.35   2212.25  280.165 10.279  284.868 7.1700  -4.702881      12.53240  
1 1 1 6   33  17 o 282.853 5.0304  43430.77   1541.12  41230.95   3076.30  44167.83   1780.68  274.544 10.345  285.137 5.7658  -10.59277      11.84364  
1 1 1 6   33  18 o 206.946 3.9963  23233.61   895.737  21900.64   1783.60  23683.18   1035.84  200.355 8.2192  208.881 4.5785  -8.526367      9.408363  
1 1 1 6   33  19 o 231.874 4.3390  29189.17   1089.71  27436.54   2174.53  29776.89   1259.23  223.898 8.9670  234.106 4.9662  -10.20866      10.25034  
1 1 1 6   33  20 o 117.975 3.0424  7549.09    388.752  5679.76    762.403  8205.89    451.916  101.766 6.9586  122.977 3.3928  -21.21075      7.741697  
1 1 1 6   33  21 o 78.237  3.0661  3321.93    259.815  2987.74    488.199  3453.99    306.884  73.705  6.1723  79.747  3.5529  -6.042030      7.121817  
1 1 1 6   33  22 o 60.359  3.3693  1986.05    219.391  2055.38    410.210  1958.27    259.646  60.917  6.3087  59.849  4.0289  1.067638       7.485440  
1 1 1 6   33  23 o 78.936  3.3189  3389.96    283.751  3011.58    569.631  3514.84    327.241  73.433  7.2569  80.325  3.7614  -6.891907      8.173811  
1 1 1 6   33  24 o 39.879  4.8069  883.712    203.440  938.484    430.513  867.964    230.840  39.852  9.9924  39.347  5.5724  0.5051079      11.44114  
1 1 1 6   33  25 o 25.667  6.8085  380.408    192.386  256.370    407.583  415.966    218.226  25.710  10.068  26.813  7.3124  -1.103653      12.44325  
1 1 1 6   33  26 o 54.151  3.9950  1616.21    232.658  1392.09    480.605  1684.81    265.891  48.320  9.5218  55.171  4.4885  -6.851189      10.52670  
1 1 1 6   33  27 o 41.779  2.1011  951.670    94.775   331.409    445.472  981.076    96.996   27.155  10.555  42.472  2.1085  -15.31746      10.76398  
1 1 1 6   33  28 o 54.898  4.0641  1672.60    239.933  2073.37    488.569  1545.23    275.435  59.386  7.7832  52.465  4.9040  6.921215       9.199276  
1 1 1 6   33  29 o 42.218  2.2940  975.140    104.502  1605.83    464.910  941.579    107.246  51.330  8.6713  41.463  2.3983  9.866627       8.996810  
1 1 1 6   33  30 o 30.265  7.8684  573.308    260.325  478.576    447.178  621.871    320.171  28.219  10.675  31.066  8.9972  -2.846949      13.96051  
1 1 1 6   33  31 o 25.721  2.3146  366.342    63.791   888.277    459.920  356.104    64.413   34.281  10.962  25.342  2.3744  8.939590       11.21605  
1 1 1 6   33  32 o 27.222  10.657  540.412    456.579  0.0000     0.0000   540.412    456.579  ?       ?       27.222  10.657  0.000000       10.65708  
1 1 1 6   33  33 o 29.364  10.713  721.498    442.854  0.0000     0.0000   721.498    442.854  ?       ?       29.364  10.713  0.000000       10.71261  
1 1 1 6   33  34 o 23.912  10.262  420.177    476.808  0.0000     0.0000   420.177    476.808  ?       ?       23.912  10.262  0.000000       10.26202  
1 1 1 6   34  0  o 635.766 17.748  220111.80  12221.13 220599.80  14522.55 218927.50  22622.81 635.746 21.091  628.844 33.334  6.902100       39.44571  
1 1 1 6   34  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   34  2  o 99.034  5.1258  5328.18    547.929  5328.18    547.929  0.0000     0.0000   99.034  5.1258  ?       ?       0.000000       5.125784  
1 1 1 6   34  3  o 276.015 9.8782  41334.78   2953.11  41334.78   2953.11  0.0000     0.0000   276.015 9.8782  ?       ?       0.000000       9.878190  
1 1 1 6   34  4  o 56.240  3.0487  1718.26    185.014  1917.19    353.209  1643.04    217.195  59.219  5.5724  54.951  3.6704  4.267929       6.672531  
1 1 1 6   34  5  o 292.069 5.1161  46223.79   1618.42  47607.48   2290.08  44843.21   2287.51  296.326 7.1353  287.584 7.3439  8.741272       10.23941  
1 1 1 6   34  6  o 407.238 6.9810  89922.95   3079.19  88804.86   6165.25  90294.53   3554.22  403.935 14.092  407.996 8.0430  -4.061096      16.22562  
1 1 1 6   34  7  o 309.100 5.4344  51784.87   1819.38  53657.99   3647.55  51164.50   2099.15  314.260 10.716  307.198 6.3089  7.062042       12.43543  
1 1 1 6   34  8  o 404.695 6.7864  88826.56   2974.67  92561.10   5956.31  87585.59   3433.52  412.238 13.340  401.753 7.8906  10.48492       15.49901  
1 1 1 6   34  9  o 177.478 3.5194  17065.99   676.533  17588.21   1365.15  16895.99   778.907  180.049 7.0004  176.578 4.0727  3.471176       8.098870  
1 1 1 6   34  10 o 110.993 2.7854  6673.83    334.856  6747.77    672.794  6649.49    386.071  111.549 5.5686  110.784 3.2175  0.7652206      6.431317  
1 1 1 6   34  11 o 370.574 6.3787  74520.84   2560.21  72237.42   5125.12  75280.13   2955.37  363.681 13.011  372.336 7.3284  -8.654724      14.93296  
1 1 1 6   34  12 o 178.238 3.5330  17216.45   682.054  18182.48   1372.05  16899.37   786.057  182.989 6.9227  176.567 4.1103  6.421631       8.050993  
1 1 1 6   34  13 o 143.870 3.1431  11216.50   489.778  11554.35   992.662  11107.79   563.090  145.884 6.2824  143.156 3.6316  2.727066       7.256506  
1 1 1 6   34  14 o 223.311 4.1872  27039.47   1012.74  27398.47   2030.40  26920.58   1168.47  224.373 8.3549  222.772 4.8427  1.600632       9.656899  
1 1 1 6   34  15 o 113.629 3.0128  6997.23    370.788  7374.43    737.707  6869.73    428.901  116.391 5.8708  112.575 3.5176  3.815636       6.843960  
1 1 1 6   34  16 o 190.514 4.5918  19691.13   947.497  19837.87   1516.91  19597.26   1213.30  190.957 7.3342  189.948 5.8974  1.008514       9.411175  
1 1 1 6   34  17 o 161.178 3.5986  14086.33   628.222  13241.85   1189.95  14412.66   739.709  155.995 7.0428  162.998 4.1899  -7.002701      8.194932  
1 1 1 6   34  18 o 206.550 4.1576  23149.04   930.112  21760.21   1741.42  23703.38   1100.18  199.729 8.0500  208.935 4.8617  -9.206116      9.404130  
1 1 1 6   34  19 o 116.460 3.1064  7354.72    391.832  6817.82    759.589  7549.39    457.384  111.724 6.3029  117.965 3.5798  -6.241684      7.248534  
1 1 1 6   34  20 o 64.275  2.5108  2239.79    174.792  2036.85    422.368  2281.72    192.006  60.760  6.5200  64.867  2.7329  -4.107201      7.069541  
1 1 1 6   34  21 o 51.632  3.5835  1455.06    199.157  1429.20    362.050  1466.29    238.480  50.661  6.7674  51.744  4.2940  -1.083199      8.014785  
1 1 1 6   34  22 o 177.863 3.6088  17205.28   695.216  14924.68   1375.23  17988.18   805.756  164.411 7.7228  181.755 4.0931  -17.34340      8.740419  
1 1 1 6   34  23 o 135.714 3.2659  10020.58   480.065  10137.43   969.091  9982.58    552.638  135.544 6.6011  135.353 3.7697  0.1910095      7.601615  
1 1 1 6   34  24 o 15.158  6.3783  19.476     178.092  -74.1283   386.967  44.629     200.598  20.508  9.0164  16.531  6.8482  3.976894       11.32226  
1 1 1 6   34  25 o 50.697  4.6719  1423.59    253.650  1528.18    459.514  1377.75    304.193  51.285  8.5753  49.578  5.7729  1.706764       10.33740  
1 1 1 6   34  26 o 69.432  3.5602  2643.84    266.838  2845.78    532.813  2576.24    308.285  70.796  7.0420  68.374  4.1830  2.422615       8.190682  
1 1 1 6   34  27 o 50.347  4.3612  1408.49    235.472  1552.35    470.011  1360.28    272.079  51.033  8.8225  49.216  5.1820  1.817047       10.23181  
1 1 1 6   34  28 o 35.597  5.9327  732.092    220.688  975.004    441.825  651.341    254.742  39.264  10.271  33.050  7.3102  6.213982       12.60720  
1 1 1 6   34  29 o 35.483  5.8524  731.183    217.077  489.355    447.223  805.720    248.287  29.116  10.743  37.050  6.4199  -7.933411      12.51527  
1 1 1 6   34  30 o 37.569  1.2222  766.626    49.734   537.975    70.062   998.866    70.610   31.318  2.0773  42.849  1.5214  -11.53141      2.574842  
1 1 1 6   34  31 o 32.416  9.2627  732.590    341.443  0.0000     0.0000   732.590    341.443  ?       ?       32.416  9.2627  0.000000       9.262734  
1 1 1 6   34  32 o 31.949  10.664  801.916    432.941  0.0000     0.0000   801.916    432.941  ?       ?       31.949  10.664  0.000000       10.66399  
1 1 1 6   34  33 o 31.045  11.206  848.066    482.745  0.0000     0.0000   848.066    482.745  ?       ?       31.045  11.206  0.000000       11.20616  
1 1 1 6   34  34 o 19.437  8.9448  39.327     433.652  0.0000     0.0000   39.327     433.652  ?       ?       19.437  8.9448  0.000000       8.944793  
1 1 1 6   35  0  o 512.498 26.851  144515.41  14852.57 144515.41  14852.57 0.0000     0.0000   512.498 26.851  ?       ?       0.000000       26.85051  
1 1 1 6   35  1  o 628.630 20.927  215768.41  14248.86 215768.41  14248.86 0.0000     0.0000   628.630 20.927  ?       ?       0.000000       20.92739  
1 1 1 6   35  2  o 179.838 7.2357  17532.49   1409.40  17532.49   1409.40  0.0000     0.0000   179.838 7.2357  ?       ?       0.000000       7.235742  
1 1 1 6   35  3  o 172.763 4.2396  16169.63   793.315  17291.32   1625.85  15819.12   908.851  178.559 8.4068  170.869 4.9109  7.689301       9.736032  
1 1 1 6   35  4  o 83.420  2.5959  3769.13    234.543  4174.11    332.852  3369.74    330.547  87.782  3.5009  78.869  3.8695  8.912537       5.218175  
1 1 1 6   35  5  o 344.303 5.8806  64252.04   2192.97  63445.77   3102.23  65057.36   3100.43  341.989 8.3751  346.313 8.2658  -4.323822      11.76714  
1 1 1 6   35  6  o 243.676 5.2119  32179.77   1375.56  30689.37   2390.69  32917.39   1681.86  237.777 9.2829  246.411 6.3017  -8.633972      11.21978  
1 1 1 6   35  7  o 198.877 3.8296  21429.01   824.903  20435.15   1661.79  21753.97   950.243  194.070 7.9058  200.366 4.3787  -6.295547      9.037405  
1 1 1 6   35  8  o 398.369 6.8087  86080.48   2937.76  86365.13   5882.13  85985.88   3390.97  398.071 13.643  398.044 7.8654  0.2719116E-01  15.74774  
1 1 1 6   35  9  o 90.774  2.7374  4463.65    269.133  4162.11    563.560  4552.74    306.321  87.400  5.9894  91.671  3.0851  -4.271408      6.737310  
1 1 1 6   35  10 o 239.088 4.3855  30984.30   1135.66  30726.24   2280.03  31069.45   1309.68  237.766 8.8536  239.382 5.0513  -1.615555      10.19324  
1 1 1 6   35  11 o 106.600 2.8181  6156.54    325.380  5437.36    670.981  6377.66    372.053  99.908  6.2318  108.492 3.1662  -8.584198      6.989971  
1 1 1 6   35  12 f 385.258 6.5809  80580.73   2746.04  78725.95   5496.49  81197.67   3170.00  379.315 13.379  386.574 7.5711  -7.258362      15.37242  
1 1 1 6   35  13 o 117.870 2.9487  7528.19    376.440  8265.21    762.323  7290.52    432.903  123.409 5.7033  115.982 3.4461  7.426765       6.663543  
1 1 1 6   35  14 o 244.952 4.4641  32540.63   1184.36  34461.29   2373.28  31903.69   1366.70  251.573 8.7099  242.481 5.2039  9.091797       10.14610  
1 1 1 6   35  15 o 125.765 3.0611  8571.95    416.973  9185.13    838.432  8370.45    480.624  130.051 5.9523  124.261 3.5711  5.790260       6.941331  
1 1 1 6   35  16 o 140.942 3.7626  10770.89   574.375  11015.10   982.721  10644.18   707.872  142.367 6.3731  140.064 4.6661  2.303360       7.898676  
1 1 1 6   35  17 o 132.595 3.1938  9530.96    458.682  8861.73    898.560  9766.79    533.413  127.484 6.5295  134.204 3.6697  -6.719597      7.490079  
1 1 1 6   35  18 o 56.477  3.5154  1736.49    213.971  1140.84    390.987  1991.15    255.651  45.018  8.3254  60.456  3.9255  -15.43781      9.204441  
1 1 1 6   35  19 o 211.534 4.1766  24292.80   956.914  23032.42   1793.62  24794.28   1131.38  205.281 8.0670  213.608 4.8901  -8.327576      9.433446  
1 1 1 6   35  20 o 194.928 3.8287  20633.28   808.336  19902.75   1601.59  20882.97   936.343  190.645 7.7563  196.017 4.4103  -5.371658      8.922526  
1 1 1 6   35  21 o 48.856  3.7194  1304.59    195.335  1188.86    351.029  1356.49    235.097  46.004  7.2878  49.733  4.4102  -3.728851      8.518302  
1 1 1 6   35  22 o 149.798 3.3823  12199.98   548.762  14211.95   1094.49  11524.34   634.244  160.907 6.2801  145.472 4.0254  15.43552       7.459421  
1 1 1 6   35  23 o 117.762 3.0997  7542.47    395.363  9187.68    835.046  7067.11    448.861  129.225 5.9661  113.898 3.6385  15.32716       6.988098  
1 1 1 6   35  24 o 81.048  3.2326  3577.62    283.769  3379.77    594.573  3635.98    322.920  77.622  7.1526  81.642  3.6518  -4.020584      8.030910  
1 1 1 6   35  25 o 61.409  2.5535  2051.34    169.840  2787.49    499.417  1955.07    180.604  70.411  6.6266  59.926  2.7826  10.48500       7.187142  
1 1 1 6   35  26 o 37.239  5.5062  784.802    215.387  1344.64    437.370  605.565    247.476  47.718  8.7863  32.157  7.2754  15.56095       11.40749  
1 1 1 6   35  27 o 19.500  1.3020  207.197    27.341   213.313    27.546   -198.1037  224.240  19.788  1.2924  13.388  6.2536  6.399608       6.385756  
1 1 1 6   35  28 o 54.651  4.2140  1662.21    247.508  1858.56    491.960  1595.67    286.393  55.728  8.4124  53.238  5.0262  2.489895       9.799510  
1 1 1 6   35  29 o 19.469  7.3296  178.517    210.237  489.752    422.136  75.857     242.444  28.859  10.470  18.052  7.5078  10.80708       12.88329  
1 1 1 6   35  30 o 71.702  3.9674  2883.10    306.913  2991.15    572.783  2839.58    363.499  69.879  7.6955  70.615  4.7808  -0.7366791     9.059584  
1 1 1 6   35  31 o 61.188  5.4309  2210.18    356.185  0.0000     0.0000   2210.18    356.185  ?       ?       61.188  5.4309  0.000000       5.430933  
1 1 1 6   35  32 o 23.231  10.010  266.831    457.095  0.0000     0.0000   266.831    457.095  ?       ?       23.231  10.010  0.000000       10.00970  
1 1 1 6   35  33 o 22.363  9.6306  277.471    422.661  0.0000     0.0000   277.471    422.661  ?       ?       22.363  9.6306  0.000000       9.630615  
1 1 1 6   35  34 o 26.801  10.892  639.468    494.987  0.0000     0.0000   639.468    494.987  ?       ?       26.801  10.892  0.000000       10.89161  
1 1 1 6   36  0  o 706.346 23.480  273117.41  17963.44 273117.41  17963.44 0.0000     0.0000   706.346 23.480  ?       ?       0.000000       23.48021  
1 1 1 6   36  1  o 150.172 6.5516  12223.35   1065.64  12223.35   1065.64  0.0000     0.0000   150.172 6.5516  ?       ?       0.000000       6.551645  
1 1 1 6   36  2  o 496.690 9.2286  133837.50  4964.69  142386.80  8604.05  129570.20  6078.74  511.482 15.531  488.470 11.490  23.01157       19.31905  
1 1 1 6   36  3  f 537.039 9.0064  156468.00  5238.75  161663.00  7409.08  151274.00  7408.34  545.426 12.542  527.547 12.965  17.87885       18.03884  
1 1 1 6   36  4  o 317.334 5.5068  54574.02   1892.70  55467.50   2676.90  53680.84   2676.47  319.809 7.7281  314.609 7.8545  5.200165       11.01894  
1 1 1 6   36  5  o 302.313 5.2664  49529.91   1724.42  50852.00   2439.98  48210.61   2437.42  306.216 7.3568  298.146 7.5480  8.069946       10.54012  
1 1 1 6   36  6  o 423.305 8.4592  97238.69   3878.39  89623.44   6721.91  101038.90  4748.51  405.446 15.307  431.301 10.165  -25.85468      18.37472  
1 1 1 6   36  7  o 412.575 7.0212  92328.14   3137.49  87658.60   6280.95  93880.71   3621.71  400.978 14.462  415.927 8.0395  -14.94861      16.54654  
1 1 1 6   36  8  o 306.054 5.2114  50777.46   1727.52  56804.90   3464.67  48783.15   1992.93  323.289 9.8946  299.926 6.1349  23.36337       11.64220  
1 1 1 6   36  9  o 272.354 4.8112  40209.80   1419.25  41129.08   2846.75  39905.73   1637.23  275.053 9.5557  271.277 5.5722  3.776764       11.06169  
1 1 1 6   36  10 o 220.147 4.1409  26267.88   987.354  25787.27   1983.35  26426.23   1138.45  217.843 8.4059  220.780 4.7608  -2.937195      9.660490  
1 1 1 6   36  11 o 85.668  2.7092  3975.98    251.378  3362.41    521.728  4161.48    286.872  78.473  6.1886  87.639  3.0222  -9.165901      6.887115  
1 1 1 6   36  12 o 231.190 4.2612  28977.01   1067.02  29513.87   2140.75  28799.54   1230.80  232.945 8.4848  230.438 4.9313  2.506546       9.813759  
1 1 1 6   36  13 o 289.261 5.1618  45393.05   1617.20  44290.84   3242.25  45758.08   1865.88  284.935 10.506  290.339 5.9335  -5.403717      12.06559  
1 1 1 6   36  14 o 84.128  2.8557  3835.17    260.208  2875.97    537.624  4128.60    297.357  72.417  6.9393  87.282  3.1455  -14.86455      7.618938  
1 1 1 6   36  15 o 268.605 4.8369  39145.77   1407.19  41352.78   2818.13  38412.71   1624.16  275.346 9.4496  265.989 5.6376  9.357452       11.00350  
1 1 1 6   36  16 o 125.011 3.6208  8473.10    490.261  9079.54    843.126  8163.30    602.612  129.274 6.0216  122.663 4.5358  6.610466       7.538769  
1 1 1 6   36  17 o 121.061 3.1071  7944.74    407.402  7078.04    806.172  8241.99    472.125  113.883 6.5636  123.286 3.5357  -9.403137      7.455304  
1 1 1 6   36  18 o 222.150 4.1844  26781.83   1006.81  25922.31   2003.04  27072.40   1164.62  217.848 8.4892  223.276 4.8158  -5.428284      9.760052  
1 1 1 6   36  19 o 54.333  3.6379  1609.03    212.848  1605.63    385.631  1610.52    255.250  53.854  6.7603  54.281  4.3788  -0.4271889     8.054521  
1 1 1 6   36  20 o 141.155 3.2314  10812.37   494.040  9444.59    965.529  11297.48   575.016  131.292 6.8132  144.243 3.6806  -12.95087      7.743790  
1 1 1 6   36  21 o 151.102 3.4228  12403.16   560.167  11124.97   1067.26  12889.17   658.102  142.423 6.9186  153.955 3.9467  -11.53191      7.965112  
1 1 1 6   36  22 o 83.821  3.1457  3818.49    285.587  4268.27    629.622  3701.99    320.447  87.837  6.6679  82.488  3.5867  5.348068       7.571325  
1 1 1 6   36  23 o 109.079 3.2071  6474.32    378.900  7494.29    773.057  6151.81    434.694  116.465 6.1502  106.230 3.7780  10.23499       7.217923  
1 1 1 6   36  24 o 66.943  3.6452  2452.19    263.307  1999.11    556.820  2582.68    298.829  58.836  9.0259  68.627  4.0381  -9.791126      9.888002  
1 1 1 6   36  25 o 82.132  3.3325  3681.43    296.454  3822.29    603.037  3636.54    340.431  82.435  6.8151  81.524  3.8554  0.9105682      7.830103  
1 1 1 6   36  26 o 118.819 3.2526  7714.06    418.591  8289.36    830.055  7517.86    484.743  121.531 6.3278  117.101 3.8219  4.430023       7.392437  
1 1 1 6   36  27 o 72.713  2.6149  2883.74    205.942  2333.35    543.854  2975.87    222.512  63.081  8.1506  73.831  2.7826  -10.75018      8.612507  
1 1 1 6   36  28 o 46.499  4.5292  1211.61    225.207  1435.76    467.584  1143.91    256.977  48.340  9.2678  44.856  5.3977  3.484360       10.72511  
1 1 1 6   36  29 o 34.086  1.2597  630.730    46.507   646.048    47.326   199.475    251.113  34.497  1.2666  20.776  7.9654  13.72105       8.065524  
1 1 1 6   36  30 o 29.816  7.9574  566.945    261.763  955.068    454.070  373.758    320.353  36.837  10.728  24.964  9.1107  11.87331       14.07461  
1 1 1 6   36  31 o 25.979  9.1995  452.546    323.790  0.0000     0.0000   452.546    323.790  ?       ?       25.979  9.1995  0.000000       9.199456  
1 1 1 6   36  32 o 22.349  9.6166  230.011    420.734  0.0000     0.0000   230.011    420.734  ?       ?       22.349  9.6166  0.000000       9.616640  
1 1 1 6   36  33 o 20.675  9.0211  182.581    380.931  0.0000     0.0000   182.581    380.931  ?       ?       20.675  9.0211  0.000000       9.021129  
1 1 1 6   36  34 o 21.481  9.5826  220.084    452.974  0.0000     0.0000   220.084    452.974  ?       ?       21.481  9.5826  0.000000       9.582554  
1 1 1 6   37  0  o 642.654 21.409  225829.00  14901.62 225829.00  14901.62 0.0000     0.0000   642.654 21.409  ?       ?       0.000000       21.40850  
1 1 1 6   37  1  o 571.657 10.833  177422.30  6707.55  186640.50  11622.66 172819.00  8213.33  584.942 18.345  563.807 13.450  21.13538       22.74743  
1 1 1 6   37  2  f 204.462 4.0394  22647.81   894.540  22435.72   1264.88  22860.03   1265.26  203.465 5.7397  205.381 5.6879  -1.916351      8.080595  
1 1 1 6   37  3  o 113.128 2.8959  6932.15    354.833  6888.81    502.227  6975.34    501.393  112.762 4.1121  113.469 4.0797  -0.7063446     5.792551  
1 1 1 6   37  4  o 126.359 3.0571  8648.79    418.396  8601.67    591.765  8695.90    591.637  125.999 4.3362  126.688 4.3117  -0.6886520     6.115056  
1 1 1 6   37  5  o 210.715 4.2210  24057.38   963.341  23783.91   1457.73  24269.42   1283.57  209.446 6.4259  211.602 5.6005  -2.156128      8.523980  
1 1 1 6   37  6  o 254.313 4.6387  35048.16   1277.73  35656.68   1808.94  34442.26   1805.04  256.430 6.5131  252.020 6.6127  4.409698       9.281604  
1 1 1 6   37  7  o 408.657 6.9102  90588.14   3058.56  94618.07   6124.49  89249.14   3530.30  416.671 13.571  405.508 8.0379  11.16348       15.77261  
1 1 1 6   37  8  o 574.422 9.6375  179342.00  5996.04  176187.30  11997.47 180392.30  6922.60  566.149 19.565  575.760 11.101  -9.611389      22.49522  
1 1 1 6   37  9  o 258.686 4.6589  36274.93   1305.35  37609.64   2620.08  35834.26   1505.50  263.032 9.1968  257.066 5.4071  5.966003       10.66853  
1 1 1 6   37  10 o 114.850 2.8693  7146.33    356.931  7107.72    732.062  7158.37    408.815  114.309 5.9332  114.940 3.2839  -0.6303711     6.781392  
1 1 1 6   37  11 o 123.150 2.9825  8217.19    397.813  8343.77    799.224  8175.51    458.668  124.004 5.9506  122.827 3.4477  1.177094       6.877254  
1 1 1 6   37  12 o 90.264  2.7484  4414.45    268.698  3987.38    551.348  4547.48    307.714  85.503  5.9914  91.608  3.1013  -6.105217      6.746443  
1 1 1 6   37  13 o 262.675 5.1145  37433.37   1455.11  36330.83   2725.22  37873.05   1720.96  258.169 9.7460  264.122 6.0158  -5.953613      11.45318  
1 1 1 6   37  14 o 274.685 4.9196  40935.07   1463.65  41170.97   2932.84  40856.84   1689.02  274.729 9.8563  274.340 5.6843  0.3896484      11.37794  
1 1 1 6   37  15 o 157.734 3.4891  13487.19   596.080  11473.71   1146.64  14232.82   697.776  145.056 7.3219  162.011 3.9765  -16.95488      8.332058  
1 1 1 6   37  16 o 101.450 3.2916  5579.19    361.678  5412.56    655.219  5652.21    433.747  99.618  6.1021  102.090 3.9227  -2.472237      7.254158  
1 1 1 6   37  17 o 209.106 4.0836  23721.36   924.872  24543.46   1742.62  23398.98   1091.24  212.240 7.5806  207.604 4.8531  4.635910       9.001010  
1 1 1 6   37  18 o 191.333 3.9451  19863.97   817.562  17868.38   1537.16  20651.18   965.440  180.947 7.8433  195.022 4.5706  -14.07503      9.077843  
1 1 1 6   37  19 o 228.566 4.2379  28371.52   1049.14  25681.63   2086.21  29282.09   1213.80  216.427 8.8997  232.107 4.8282  -15.68016      10.12504  
1 1 1 6   37  20 o 109.071 2.9349  6454.20    346.712  5987.98    652.889  6637.32    409.175  104.631 5.7836  110.573 3.4166  -5.941338      6.717346  
1 1 1 6   37  21 o 63.159  3.2674  2172.55    222.752  1681.36    403.614  2387.69    267.115  54.932  6.9386  66.165  3.7427  -11.23348      7.883604  
1 1 1 6   37  22 o 148.393 3.3153  11975.19   532.847  13947.17   1088.57  11353.82   611.058  159.278 6.3100  144.375 3.9077  14.90276       7.422027  
1 1 1 6   37  23 o 105.168 3.2645  6020.35    371.848  7110.65    756.102  5672.52    427.062  113.393 6.1797  101.980 3.8664  11.41315       7.289515  
1 1 1 6   37  24 o 118.055 3.2364  7593.58    413.826  8031.06    834.496  7450.92    476.550  120.178 6.4344  116.815 3.7665  3.363190       7.455719  
1 1 1 6   37  25 o 93.805  3.3149  4802.46    336.800  5539.06    684.424  4567.09    386.885  99.519  6.3833  91.339  3.9107  8.179649       7.486032  
1 1 1 6   37  26 o 44.124  4.8224  1087.57    226.714  1077.03    476.323  1090.66    257.787  41.858  10.519  43.978  5.5345  -2.120674      11.88611  
1 1 1 6   37  27 o 44.466  4.8205  1108.99    228.441  940.994    457.423  1164.81    263.677  38.738  10.596  45.363  5.4775  -6.625435      11.92813  
1 1 1 6   37  28 o 25.446  1.2993  352.317    35.689   5.0213     415.639  354.897    35.821   21.524  9.4066  25.539  1.2993  -4.015097      9.495893  
1 1 1 6   37  29 o 21.346  7.4587  250.919    212.334  -110.0763  427.665  369.021    244.614  20.201  9.1356  24.868  7.9988  -4.666973      12.14249  
1 1 1 6   37  30 o 46.629  5.4580  1270.62    270.433  818.586    487.486  1471.58    325.033  33.598  11.315  49.738  6.1656  -16.14064      12.88610  
1 1 1 6   37  31 o 48.074  8.5948  1537.34    431.093  0.0000     0.0000   1537.34    431.093  ?       ?       48.074  8.5948  0.000000       8.594767  
1 1 1 6   37  32 o 46.368  10.103  1591.10    493.056  0.0000     0.0000   1591.10    493.056  ?       ?       46.368  10.103  0.000000       10.10324  
1 1 1 6   37  33 o 21.770  9.5775  225.937    437.257  0.0000     0.0000   225.937    437.257  ?       ?       21.770  9.5775  0.000000       9.577458  
1 1 1 6   37  34 o 23.009  2.1251  294.659    52.363   0.0000     0.0000   294.659    52.363   ?       ?       23.009  2.1251  0.000000       2.125124  
1 1 1 6   38  0  o 255.503 5.2274  35375.64   1446.61  35599.44   2510.53  35264.40   1769.99  256.150 9.0490  255.061 6.4070  1.089020       11.08759  
1 1 1 6   38  1  o 71.929  2.5938  2802.31    202.075  2622.22    265.647  3049.64    311.309  69.484  3.5415  74.930  3.8489  -5.445976      5.230327  
1 1 1 6   38  2  o 151.741 2.9986  12472.07   492.826  12634.97   696.669  12308.90   697.252  152.712 4.2119  150.728 4.2710  1.984299       5.998475  
1 1 1 6   38  3  o 344.380 6.0710  64287.60   2264.49  63551.68   3202.49  65023.51   3202.45  342.238 8.6395  346.186 8.5409  -3.947876      12.14857  
1 1 1 6   38  4  o 350.409 6.2251  66565.93   2362.61  66405.62   3341.23  66726.24   3341.24  349.800 8.8189  350.645 8.7977  -0.8452454     12.45684  
1 1 1 6   38  5  o 333.449 5.7289  60272.89   2069.04  58442.74   2926.49  62101.98   2925.65  328.177 8.2332  338.315 7.9842  -10.13828      11.46879  
1 1 1 6   38  6  o 306.040 5.2640  50768.13   1744.86  51940.00   2469.23  49599.31   2466.00  309.417 7.3679  302.353 7.5302  7.064331       10.53522  
1 1 1 6   38  7  o 217.146 4.7689  25556.98   1121.61  25513.72   1951.63  25578.32   1370.56  216.777 8.3121  217.192 5.8262  -0.4148407     10.15068  
1 1 1 6   38  8  o 147.534 3.1665  11792.44   505.985  12910.35   1030.04  11436.89   580.904  154.278 6.1642  145.281 3.6917  8.996811       7.185138  
1 1 1 6   38  9  o 227.456 4.2902  28042.07   1056.92  25770.09   2123.41  28790.33   1218.59  217.727 9.0043  230.441 4.8824  -12.71425      10.24282  
1 1 1 6   38  10 o 191.685 3.7407  19912.69   776.628  20131.13   1564.76  19841.29   894.593  192.523 7.5040  191.318 4.3172  1.204926       8.657269  
1 1 1 6   38  11 o 119.261 2.9004  7706.36    374.650  7951.95    765.348  7628.96    429.647  121.058 5.8371  118.651 3.3432  2.406052       6.726734  
1 1 1 6   38  12 o 138.377 3.0965  10376.04   464.093  10994.08   940.668  10177.20   533.549  142.313 6.1027  137.030 3.5949  5.282852       7.082830  
1 1 1 6   38  13 o 301.345 5.2680  49273.32   1719.41  48117.32   3444.02  49657.11   1984.40  296.889 10.710  302.422 6.0582  -5.532806      12.30497  
1 1 1 6   38  14 o 268.976 5.1110  39258.25   1488.97  43570.92   2788.21  37537.70   1761.11  282.754 9.1043  262.894 6.1849  19.86011       11.00644  
1 1 1 6   38  15 o 353.620 6.1271  67930.85   2346.72  65179.31   4696.25  68846.58   2709.23  344.666 12.580  355.821 7.0298  -11.15494      14.41097  
1 1 1 6   38  16 o 465.196 11.180  118582.00  5633.15  115054.00  7966.92  122109.30  7966.04  455.337 16.154  469.426 15.668  -14.08920      22.50415  
1 1 1 6   38  17 o 241.529 4.4763  31660.60   1170.99  33477.83   2343.74  31056.06   1351.81  247.611 8.7392  239.119 5.2195  8.492432       10.17921  
1 1 1 6   38  18 o 81.264  3.0456  3580.63    268.063  3381.70    536.103  3646.95    309.536  78.561  6.3549  81.997  3.4853  -3.436104      7.247873  
1 1 1 6   38  19 o 201.534 4.0650  22055.72   887.322  21226.32   1667.31  22383.44   1048.07  196.985 7.8147  202.921 4.7686  -5.936203      9.154727  
1 1 1 6   38  20 o 116.623 3.0022  7380.35    379.222  6128.58    724.014  7853.59    445.171  105.721 6.3524  120.268 3.4175  -14.54744      7.213321  
1 1 1 6   38  21 o 70.930  3.1155  2732.48    239.347  2271.30    444.385  2920.93    284.070  64.042  6.4964  73.301  3.5780  -9.258926      7.416611  
1 1 1 6   38  22 o 182.321 3.9951  18116.24   788.933  19873.46   1513.52  17460.66   924.458  189.524 7.3732  178.750 4.7750  10.77351       8.784308  
1 1 1 6   38  23 o 132.394 3.3030  9543.51    473.642  10032.58   955.955  9384.39    545.276  134.689 6.5529  131.163 3.8383  3.526703       7.594270  
1 1 1 6   38  24 o 30.982  6.5017  551.904    211.221  790.634    459.849  488.069    237.789  36.538  10.839  28.995  7.5113  7.542721       13.18751  
1 1 1 6   38  25 o 74.479  3.5354  3031.35    285.191  3201.27    587.813  2979.04    326.149  75.122  7.3173  73.607  4.1073  1.514618       8.391247  
1 1 1 6   38  26 o 14.427  3.0369  117.878    45.955   -59.3681   464.541  119.629    46.181   22.297  9.8379  14.537  3.0312  7.759881       10.29431  
1 1 1 6   38  27 o 40.746  5.4093  942.121    232.822  778.045    476.499  993.577    266.843  35.312  11.144  41.615  6.1014  -6.302395      12.70457  
1 1 1 6   38  28 o 19.661  7.4163  177.718    215.466  326.048    447.513  132.956    245.837  26.612  10.509  19.376  7.7452  7.236433       13.05514  
1 1 1 6   38  29 o ?       ?       -143.1698  35.494   222.546    426.470  -145.7207  35.617   24.252  10.011  ?       ?       0.000000       10.01102  
1 1 1 6   38  30 o 19.887  7.8812  182.055    252.483  113.966    437.178  216.132    309.275  22.130  9.6600  21.524  8.6577  0.6059914      12.97191  
1 1 1 6   38  31 o 67.846  6.8604  2851.12    497.207  0.0000     0.0000   2851.12    497.207  ?       ?       67.846  6.8604  0.000000       6.860441  
1 1 1 6   38  32 o 20.642  9.1949  105.523    415.438  0.0000     0.0000   105.523    415.438  ?       ?       20.642  9.1949  0.000000       9.194919  
1 1 1 6   38  33 o 28.743  11.100  734.875    490.141  0.0000     0.0000   734.875    490.141  ?       ?       28.743  11.100  0.000000       11.10012  
1 1 1 6   39  0  o 458.778 7.6578  114150.40  3805.18  117299.60  5381.97  111002.60  5380.72  464.742 10.692  452.060 10.989  12.68259       15.33251  
1 1 1 6   39  1  f 437.770 7.3531  103926.10  3486.49  104917.50  4931.32  102935.20  4929.97  439.557 10.358  435.374 10.455  4.183289       14.71700  
1 1 1 6   39  2  o 269.400 4.7655  39327.14   1390.52  41056.45   1967.10  37599.96   1965.88  275.184 6.5998  263.332 6.8926  11.85196       9.542822  
1 1 1 6   39  3  f 399.577 6.8060  86575.30   2945.51  85245.91   4165.76  87904.47   4165.40  396.237 9.7066  402.384 9.5575  -6.147125      13.62224  
1 1 1 6   39  4  o 321.540 5.5502  56040.60   1932.91  56930.13   2733.87  55151.49   2733.22  323.940 7.7919  318.830 7.9149  5.109528       11.10671  
1 1 1 6   39  5  o 316.731 5.5355  54380.61   1898.98  54257.01   2685.95  54504.13   2685.17  316.216 7.8423  316.936 7.8222  -0.7208862     11.07651  
1 1 1 6   39  6  o 412.434 7.1230  92283.70   3181.91  93317.40   4500.85  91250.88   4498.96  414.374 10.028  409.745 10.137  4.629669       14.25960  
1 1 1 6   39  7  o 257.642 5.3869  35988.95   1503.23  34537.70   2611.10  36708.40   1838.47  252.084 9.5633  260.135 6.5251  -8.050751      11.57729  
1 1 1 6   39  8  o 406.633 6.8300  89730.59   3008.13  95978.12   6023.73  87654.97   3472.05  419.356 13.262  401.751 7.9792  17.60486       15.47743  
1 1 1 6   39  9  o 442.693 7.4516  106420.10  3572.90  106842.40  7151.97  106279.70  4124.44  441.766 14.947  442.200 8.6114  -0.4343262     17.25048  
1 1 1 6   39  10 o 360.311 6.6816  70474.40   2607.52  68527.28   4847.57  71267.15   3093.12  354.213 12.635  362.162 7.8854  -7.949432      14.89406  
1 1 1 6   39  11 o 285.165 5.0687  44106.20   1565.54  44699.60   3138.15  43909.59   1806.38  286.421 10.116  284.455 5.8631  1.966522       11.69205  
1 1 1 6   39  12 o 40.594  3.2377  898.701    141.167  511.874    321.286  991.247    157.149  30.478  9.0645  42.629  3.4327  -12.15082      9.692737  
1 1 1 6   39  13 o 117.472 2.9641  7477.97    377.130  6734.75    765.174  7716.45    433.431  111.173 6.3814  119.320 3.3538  -8.146912      7.208993  
1 1 1 6   39  14 o 443.122 7.4886  106802.00  3594.15  107748.10  7192.06  106487.10  4149.44  442.187 15.017  442.143 8.6648  0.4385376E-01  17.33730  
1 1 1 6   39  15 o 193.159 3.7990  20230.38   794.794  20251.45   1596.79  20223.44   916.375  192.897 7.6428  193.086 4.3818  -0.1889191     8.809777  
1 1 1 6   39  16 o 62.595  2.8157  2123.49    190.895  1660.48    445.522  2227.61    211.271  54.681  7.7386  64.107  3.0427  -9.425396      8.315269  
1 1 1 6   39  17 o 226.261 4.4466  27785.52   1089.72  27089.68   2050.67  28059.34   1286.37  222.760 8.4994  227.278 5.2256  -4.517715      9.977302  
1 1 1 6   39  18 o 243.763 4.5104  32268.59   1190.83  29932.97   2381.06  33047.64   1375.16  233.693 9.4071  246.584 5.1489  -12.89101      10.72401  
1 1 1 6   39  19 o 107.186 3.0480  6231.89    353.846  6685.15    691.195  6070.91    411.917  110.632 5.7884  105.758 3.5960  4.873520       6.814517  
1 1 1 6   39  20 o 134.023 3.2437  9751.67    470.856  9087.29    906.339  9997.27    551.055  128.732 6.5216  135.644 3.7508  -6.911621      7.523276  
1 1 1 6   39  21 o 58.935  3.3569  1893.81    213.393  2106.89    388.166  1801.52    255.459  61.767  5.8729  57.374  4.1387  4.392448       7.184663  
1 1 1 6   39  22 o 60.475  3.8025  2000.17    247.801  1944.67    529.909  2015.70    280.342  58.462  8.6281  60.629  4.2970  -2.166882      9.638853  
1 1 1 6   39  23 o 27.950  6.3558  448.289    188.056  250.197    334.821  539.579    227.294  24.334  9.2290  30.601  7.0085  -6.266888      11.58854  
1 1 1 6   39  24 o 24.908  1.6585  338.047    44.486   338.975    45.365   314.823    227.041  24.939  1.6894  23.907  7.7079  1.032705       7.890865  
1 1 1 6   39  25 o 43.130  4.9650  1038.65    227.704  1480.29    488.123  915.816    257.430  49.998  9.3577  40.148  6.1130  9.850018       11.17740  
1 1 1 6   39  26 o 42.295  5.1298  1005.46    230.191  821.885    493.559  1056.49    260.227  36.541  11.312  43.191  5.7022  -6.649712      12.66750  
1 1 1 6   39  27 o 16.694  6.9724  47.743     210.367  101.621    461.441  33.608     236.358  23.896  10.171  17.264  7.3108  6.631092       12.52558  
1 1 1 6   39  28 o 23.821  7.6336  329.197    222.944  163.034    483.825  373.990    251.202  24.849  10.488  25.253  8.1041  -0.4033775     13.25399  
1 1 1 6   39  29 o 27.117  7.3430  450.204    220.977  369.448    470.761  473.026    250.262  26.927  10.733  27.652  7.9390  -0.7251244     13.34998  
1 1 1 6   39  30 o 29.220  1.2073  464.083    38.209   -163.9680  468.350  468.291    38.337   19.733  9.1567  29.353  1.2059  -9.619404      9.235746  
1 1 1 6   39  31 o 35.827  10.648  972.421    443.484  0.0000     0.0000   972.421    443.484  ?       ?       35.827  10.648  0.000000       10.64841  
1 1 1 6   39  32 o 45.741  9.6657  1527.92    463.865  0.0000     0.0000   1527.92    463.865  ?       ?       45.741  9.6657  0.000000       9.665698  
1 1 1 6   39  33 o 19.712  9.0666  31.942     444.807  0.0000     0.0000   31.942     444.807  ?       ?       19.712  9.0666  0.000000       9.066641  
1 1 1 6   40  0  o 110.530 2.7410  6617.42    328.139  6348.14    465.496  6883.39    462.635  108.246 3.9704  112.719 3.7894  -4.473251      5.488500  
1 1 1 6   40  1  o 408.177 6.9737  90346.47   3083.05  91749.31   4360.90  88944.65   4359.30  411.070 9.7947  404.723 9.9446  6.347992       13.95820  
1 1 1 6   40  2  o 360.092 6.1916  70296.57   2414.85  69330.01   3415.29  71262.92   3414.93  357.410 8.8225  362.368 8.7008  -4.958862      12.39117  
1 1 1 6   40  3  o 288.919 5.1681  45241.20   1617.26  46102.50   2287.52  44380.46   2286.78  291.545 7.2442  286.040 7.3812  5.505249       10.34215  
1 1 1 6   40  4  o 178.578 3.5785  17277.10   692.146  16691.90   978.694  17862.66   978.990  175.490 5.1490  181.545 4.9788  -6.054977      7.162464  
1 1 1 6   40  5  o 202.763 3.7656  22275.56   826.968  22279.52   1170.36  22271.63   1168.66  202.732 5.3300  202.696 5.3232  0.3564453E-01  7.532963  
1 1 1 6   40  6  o 534.644 8.7260  155245.20  5053.03  158140.00  7146.95  152351.80  7145.19  538.857 12.245  528.847 12.474  10.00977       17.48023  
1 1 1 6   40  7  o 362.052 7.1955  71142.05   2821.63  70195.98   4892.92  71613.43   3453.77  358.835 12.589  363.057 8.7831  -4.221771      15.35039  
1 1 1 6   40  8  o 98.499  2.8155  5256.14    300.374  4215.56    626.487  5566.75    342.281  87.890  6.6300  101.364 3.1177  -13.47372      7.326405  
1 1 1 6   40  9  o 130.905 3.0652  9284.52    434.591  8583.47    887.322  9505.76    498.472  125.590 6.5458  132.447 3.4748  -6.856674      7.410920  
1 1 1 6   40  10 o 545.646 9.0394  161968.50  5342.22  168999.30  10690.31 159628.30  6167.54  553.759 17.824  541.256 10.521  12.50262       20.69707  
1 1 1 6   40  11 o 99.213  2.7000  5333.02    290.133  5651.82    602.712  5236.86    331.009  101.917 5.4801  98.307  3.1087  3.609871       6.300465  
1 1 1 6   40  12 o 351.148 6.1250  66945.13   2329.53  60612.89   4663.69  69050.30   2689.03  332.675 12.943  356.494 6.9642  -23.81952      14.69780  
1 1 1 6   40  13 o 155.272 3.3168  13066.89   557.811  12579.41   1127.21  13224.98   641.921  152.150 6.8401  156.189 3.7946  -4.038986      7.822118  
1 1 1 6   40  14 o 272.400 5.2131  40270.79   1538.06  42200.99   2878.36  39499.40   1819.62  278.147 9.5543  269.654 6.2302  8.492645       11.40619  
1 1 1 6   40  15 o 105.666 2.9578  6051.24    338.515  5708.42    678.859  6164.69    390.533  102.315 6.1545  106.639 3.3812  -4.324326      7.022162  
1 1 1 6   40  16 o 98.482  4.2004  5261.79    448.040  6063.98    639.830  4489.97    627.596  105.500 5.6196  90.639  6.4347  14.86161       8.543180  
1 1 1 6   40  17 o 95.724  3.0444  4967.61    315.644  4612.42    627.061  5088.16    365.298  91.856  6.3416  96.862  3.4820  -5.005516      7.234640  
1 1 1 6   40  18 o 47.962  4.0039  1257.27    206.091  1115.11    395.514  1310.25    241.462  44.419  8.5311  48.898  4.6138  -4.478916      9.698814  
1 1 1 6   40  19 o 71.387  3.1316  2764.82    242.136  2411.79    480.809  2884.77    280.272  66.108  6.8126  72.900  3.5496  -6.791870      7.681910  
1 1 1 6   40  20 o 65.363  3.1715  2319.53    224.526  2520.23    434.475  2246.40    262.260  67.657  5.9910  64.179  3.7896  3.477432       7.088939  
1 1 1 6   40  21 o 77.413  3.1630  3256.32    265.210  4048.45    593.587  3058.75    296.444  85.635  6.4471  74.987  3.6500  10.64803       7.408568  
1 1 1 6   40  22 o 111.808 3.1036  6798.04    375.842  7418.34    797.727  6621.06    426.096  115.862 6.3815  110.270 3.5676  5.591858       7.311039  
1 1 1 6   40  23 o 65.711  1.9468  2342.97    138.555  2547.84    215.269  2198.07    181.038  68.441  2.9040  63.595  2.6283  4.846024       3.916788  
1 1 1 6   40  24 o 45.629  2.0426  1130.56    100.948  1118.68    485.080  1131.10    103.207  43.140  10.484  45.637  2.0880  -2.497490      10.69021  
1 1 1 6   40  25 o 44.257  1.6306  1062.91    78.165   1341.28    114.877  822.912    106.664  49.680  2.1349  38.802  2.5523  10.87827       3.327441  
1 1 1 6   40  26 o 67.874  3.7417  2535.38    274.006  2593.25    567.844  2517.82    312.837  66.809  8.0069  67.465  4.3037  -0.6560822     9.090210  
1 1 1 6   40  27 o 72.678  3.6680  2911.86    287.806  3754.59    595.794  2655.36    328.702  80.855  6.8683  69.121  4.4136  11.73335       8.164180  
1 1 1 6   40  28 o 58.061  2.6244  1842.53    165.035  1762.30    199.353  2017.26    294.211  56.549  3.2687  60.039  4.5583  -3.490082      5.609201  
1 1 1 6   40  29 o 39.480  5.8257  911.360    241.628  527.343    513.965  1020.32    273.769  29.549  11.379  41.581  6.2740  -12.03208      12.99422  
1 1 1 6   40  30 o 71.150  4.9912  2930.28    382.203  0.0000     0.0000   2930.28    382.203  ?       ?       71.150  4.9912  0.000000       4.991195  
1 1 1 6   40  31 f 41.595  9.5327  1220.33    420.274  0.0000     0.0000   1220.33    420.274  ?       ?       41.595  9.5327  0.000000       9.532714  
1 1 1 6   40  32 o 20.023  8.9387  86.536     394.931  0.0000     0.0000   86.536     394.931  ?       ?       20.023  8.9387  0.000000       8.938712  
1 1 1 6   40  33 o 23.949  9.8078  412.369    405.292  0.0000     0.0000   412.369    405.292  ?       ?       23.949  9.8078  0.000000       9.807832  
1 1 1 6   41  0  o 854.844 18.076  399454.59  16736.68 399372.50  21893.55 399570.09  25961.44 851.899 23.728  849.314 28.222  2.585083       36.87139  
1 1 1 6   41  1  f 483.665 8.7966  126972.50  4608.18  133764.09  7145.43  122136.40  6029.63  495.712 13.308  473.947 11.746  21.76556       17.75062  
1 1 1 6   41  2  o 158.370 3.4806  13587.73   597.036  12933.48   882.338  14140.28   810.856  154.474 5.2736  161.536 4.6345  -7.061539      7.020678  
1 1 1 6   41  3  o 232.023 4.3524  29171.85   1093.79  28197.46   1546.71  30146.58   1546.99  228.042 6.2622  235.801 6.0572  -7.759308      8.712305  
1 1 1 6   41  4  o 280.398 5.2869  42619.00   1605.64  41775.10   2459.93  43245.41   2119.37  277.425 8.1867  282.355 6.9301  -4.930786      10.72605  
1 1 1 6   41  5  o 351.026 6.4508  66831.83   2452.57  66745.16   3782.12  66894.73   3221.78  350.426 9.9648  350.996 8.4747  -0.5695190     13.08120  
1 1 1 6   41  6  o 212.604 4.0414  24494.61   930.631  24309.78   1318.33  24678.19   1313.91  211.729 5.7487  213.331 5.6865  -1.601349      8.086019  
1 1 1 6   41  7  o 255.162 4.9094  35296.93   1356.80  36256.88   2073.85  34578.54   1794.04  258.431 7.4090  252.445 6.5614  5.985886       9.896749  
1 1 1 6   41  8  o 130.666 3.0025  9250.30    424.926  9556.30    869.654  9154.34    487.021  132.721 6.0497  129.977 3.4595  2.743942       6.969016  
1 1 1 6   41  9  o 205.344 3.8843  22853.26   863.895  23322.59   1738.97  22699.47   995.416  207.198 7.7488  204.625 4.4913  2.573090       8.956372  
1 1 1 6   41  10 o 92.228  2.6197  4608.32    261.690  6143.67    555.724  4170.85    296.638  106.439 4.8205  87.734  3.1217  18.70472       5.742960  
1 1 1 6   41  11 o 520.381 8.6676  147346.80  4885.28  145102.20  9775.67  148094.00  5640.05  512.627 17.607  521.294 9.9892  -8.666809      20.24290  
1 1 1 6   41  12 o 272.834 4.8505  40377.34   1433.35  43870.80   2875.01  39221.80   1653.49  283.769 9.3541  268.821 5.6790  14.94858       10.94306  
1 1 1 6   41  13 o 169.300 3.6151  15537.30   662.890  16248.61   1276.21  15274.49   775.746  172.917 6.8142  167.830 4.2676  5.087311       8.040237  
1 1 1 6   41  14 o 112.130 2.8976  6813.61    351.914  6282.75    718.116  6981.39    403.714  107.366 6.2017  113.491 3.2843  -6.125519      7.017687  
1 1 1 6   41  15 o 133.295 3.1077  9630.57    448.664  9529.49    903.104  9663.69    516.974  132.414 6.2970  133.505 3.5752  -1.091827      7.241162  
1 1 1 6   41  16 o 32.365  2.0579  569.824    71.764   970.232    362.613  553.502    73.212   41.445  8.3663  31.891  2.1318  9.553867       8.633636  
1 1 1 6   41  17 o 77.134  3.0667  3225.76    256.206  2840.09    517.663  3350.88    294.851  71.909  6.7246  78.603  3.4633  -6.694008      7.564048  
1 1 1 6   41  18 o 132.277 3.1704  9490.19    454.230  9613.05    909.394  9449.35    524.321  132.829 6.3210  131.958 3.6685  0.8712158      7.308437  
1 1 1 6   41  19 o 173.378 3.5920  16320.94   674.529  16072.26   1348.30  16403.96   779.024  171.373 7.2640  173.745 4.1397  -2.372070      8.360766  
1 1 1 6   41  20 o 54.471  3.4518  1618.31    202.595  1626.21    401.112  1615.60    234.737  54.012  7.0227  54.357  4.0155  -0.3450470     8.089707  
1 1 1 6   41  21 o 77.587  2.7401  3268.65    230.260  4083.80    600.795  3128.30    249.296  85.963  6.5008  75.880  3.0333  10.08269       7.173684  
1 1 1 6   41  22 o 96.914  3.1343  5108.78    328.998  5752.14    692.626  4921.33    373.867  101.973 6.3020  95.048  3.6317  6.925560       7.273492  
1 1 1 6   41  23 o 89.258  3.2222  4338.76    311.505  4786.56    652.006  4206.32    354.593  92.738  6.5330  87.803  3.7287  4.934959       7.522144  
1 1 1 6   41  24 o 55.077  4.0168  1668.87    237.965  1781.92    513.470  1637.95    268.546  55.358  8.8628  54.430  4.5982  0.9275703      9.984642  
1 1 1 6   41  25 o 104.072 3.1852  5912.84    359.039  6366.95    744.686  5775.31    409.817  106.484 6.4878  102.716 3.6837  3.767914       7.460620  
1 1 1 6   41  26 o 20.258  7.3636  199.982    208.968  64.530     463.522  234.534    234.109  23.643  10.132  21.636  7.8047  2.007462       12.78916  
1 1 1 6   41  27 o 30.841  2.1586  520.432    71.650   1634.44    490.214  496.114    72.428   51.937  9.0430  30.097  2.2379  21.84053       9.315752  
1 1 1 6   41  28 o 24.714  7.6000  362.107    223.222  937.598    483.726  206.399    251.615  37.809  11.090  21.030  7.9947  16.77884       13.67163  
1 1 1 6   41  29 o 45.692  5.1784  1201.78    251.749  776.021    529.969  1325.85    286.088  33.405  11.776  47.765  5.6387  -14.35938      13.05623  
1 1 1 6   41  30 o 24.269  8.9815  365.608    313.041  0.0000     0.0000   365.608    313.041  ?       ?       24.269  8.9815  0.000000       8.981515  
1 1 1 6   41  31 o 48.820  8.9463  1627.63    455.623  0.0000     0.0000   1627.63    455.623  ?       ?       48.820  8.9463  0.000000       8.946338  
1 1 1 6   41  32 o 15.635  7.5708  -398.4855  394.667  0.0000     0.0000   -398.4855  394.667  ?       ?       15.635  7.5708  0.000000       7.570814  
1 1 1 6   41  33 o 14.621  7.1953  -551.2261  400.792  0.0000     0.0000   -551.2261  400.792  ?       ?       14.621  7.1953  0.000000       7.195336  
1 1 1 6   42  0  o 294.009 5.3644  46854.13   1708.26  47480.39   2416.69  46228.75   2415.00  295.839 7.5421  291.907 7.6384  3.931976       10.73448  
1 1 1 6   42  1  o 329.612 5.6788  58895.97   2027.34  60086.06   2867.89  57707.19   2866.30  332.763 7.9571  326.096 8.1153  6.666748       11.36550  
1 1 1 6   42  2  o 575.905 9.4614  180138.20  5901.70  184790.59  8346.95  175487.41  8345.57  582.486 13.230  567.549 13.576  14.93713       18.95679  
1 1 1 6   42  3  o 255.520 4.9148  35387.36   1360.20  35118.96   2077.08  35588.87   1799.80  254.407 7.5380  256.168 6.4868  -1.760956      9.944811  
1 1 1 6   42  4  o 403.948 6.8211  88517.69   2984.37  86217.56   4220.57  90817.73   4220.50  398.308 9.7832  408.832 9.5312  -10.52411      13.65854  
1 1 1 6   42  5  o 326.528 5.7643  57816.36   2038.63  57214.36   2883.28  58418.18   2882.83  324.606 8.2009  328.012 8.1145  -3.406250      11.53684  
1 1 1 6   42  6  o 120.099 2.9646  7814.16    385.640  8145.57    550.050  7493.78    540.820  122.597 4.1424  117.588 4.2464  5.009445       5.932231  
1 1 1 6   42  7  o 268.824 4.8080  39178.30   1399.92  39042.40   1981.61  39313.71   1977.95  268.211 6.8214  269.145 6.7852  -0.9333496     9.621304  
1 1 1 6   42  8  f 288.451 6.5189  45155.34   2036.66  40881.54   4655.08  46167.09   2264.94  272.599 15.835  291.599 7.1713  -19.00009      17.38286  
1 1 1 6   42  9  f 206.725 3.9350  23162.95   881.068  23832.21   1772.85  22943.43   1015.33  209.430 7.8156  205.714 4.5570  3.716248       9.047079  
1 1 1 6   42  10 o 103.958 2.7586  5855.39    310.616  5323.01    653.942  6010.50    352.977  98.841  6.1388  105.320 3.0943  -6.479057      6.874592  
1 1 1 6   42  11 f 250.845 4.7980  34127.50   1303.58  36813.14   2451.00  33068.16   1539.35  260.081 8.7009  246.840 5.7578  13.24173       10.43348  
1 1 1 6   42  12 o 416.269 7.0765  94170.65   3190.53  93472.33   6386.64  94402.88   3683.03  412.498 14.295  416.540 8.1635  -4.042053      16.46168  
1 1 1 6   42  13 o 157.400 3.3167  13428.00   565.435  14401.96   1142.32  13111.93   650.747  162.816 6.4777  155.513 3.8635  7.303497       7.542336  
1 1 1 6   42  14 o 238.146 4.6393  30768.34   1196.65  31708.15   2253.00  30399.03   1412.33  241.227 8.6231  236.626 5.5107  4.601471       10.23355  
1 1 1 6   42  15 o 94.563  2.9192  4846.54    298.993  4433.27    599.285  4983.51    344.998  90.106  6.1779  95.879  3.3222  -5.772354      7.014480  
1 1 1 6   42  16 o 160.350 3.9582  13947.68   687.451  13496.09   1194.36  14171.41   840.666  157.453 7.0035  161.567 4.8040  -4.113815      8.492761  
1 1 1 6   42  17 o 197.058 3.8672  21069.92   825.391  21796.67   1652.01  20828.14   952.843  199.872 7.6311  195.858 4.4917  4.013992       8.854918  
1 1 1 6   42  18 o 156.904 3.4819  13358.52   591.718  12004.57   1141.11  13856.47   692.027  148.282 7.1051  159.752 3.9995  -11.46989      8.153454  
1 1 1 6   42  19 o 19.185  6.5394  185.239    162.837  393.068    321.200  113.347    188.913  27.464  9.1852  17.851  6.8920  9.612448       11.48337  
1 1 1 6   42  20 o 15.844  6.2830  73.733     160.567  -347.4997  303.652  237.233    189.179  14.992  7.0877  21.291  7.0466  -6.299373      9.994475  
1 1 1 6   42  21 o 50.760  3.9830  1412.13    217.221  1443.09    482.058  1404.24    243.325  50.105  9.2226  50.536  4.4923  -0.4309196     10.25857  
1 1 1 6   42  22 o 72.642  3.2598  2871.81    256.480  3227.44    572.006  2782.32    286.941  76.030  7.0256  71.352  3.7258  4.677872       7.952417  
1 1 1 6   42  23 o 48.213  2.6054  1267.26    135.548  1638.97    505.039  1238.41    140.711  53.150  9.1003  47.643  2.7384  5.507492       9.503393  
1 1 1 6   42  24 o 47.782  2.3053  1240.86    119.305  1638.65    499.222  1216.76    122.866  52.946  9.0293  47.247  2.4090  5.699318       9.345089  
1 1 1 6   42  25 o 26.928  2.0660  396.361    59.799   632.719    469.730  392.468    60.289   33.009  11.107  26.791  2.0943  6.217869       11.30310  
1 1 1 6   42  26 o 89.309  3.3586  4368.23    324.877  4605.83    675.758  4296.81    370.504  89.814  7.0020  88.415  3.8690  1.398811       7.999827  
1 1 1 6   42  27 o 29.480  6.9825  516.447    219.518  599.445    483.155  494.857    246.420  31.738  11.238  28.707  7.7462  3.031771       13.64881  
1 1 1 6   42  28 o 20.026  7.4543  195.153    216.248  -87.5521   477.341  268.156    242.568  21.661  9.7370  22.304  7.9555  -0.6427441     12.57375  
1 1 1 6   42  29 o 24.884  8.2104  380.770    256.907  73.541     493.168  495.195    300.970  22.995  10.142  27.827  8.8643  -4.832220      13.46959  
1 1 1 6   42  30 o 47.738  8.1901  1475.78    408.226  0.0000     0.0000   1475.78    408.226  ?       ?       47.738  8.1901  0.000000       8.190144  
1 1 1 6   42  31 o 25.649  9.9066  445.504    390.444  0.0000     0.0000   445.504    390.444  ?       ?       25.649  9.9066  0.000000       9.906591  
1 1 1 6   42  32 o 17.802  8.2176  -70.4434   370.009  0.0000     0.0000   -70.4434   370.009  ?       ?       17.802  8.2176  0.000000       8.217598  
1 1 1 6   42  33 o 28.102  10.186  650.404    399.485  0.0000     0.0000   650.404    399.485  ?       ?       28.102  10.186  0.000000       10.18634  
1 1 1 6   43  0  o 319.866 5.5078  55464.71   1908.18  56366.39   2699.41  54564.14   2697.74  322.297 7.7329  317.092 7.8549  5.204437       11.02260  
1 1 1 6   43  1  o 328.612 5.6747  58543.99   2019.76  60837.83   2857.40  56253.47   2855.33  334.818 7.8794  321.928 8.1889  12.88913       11.36412  
1 1 1 6   43  2  o 79.970  2.2936  3463.97    198.663  3551.47    257.923  3336.34    311.507  80.969  2.9410  78.472  3.6651  2.497192       4.699216  
1 1 1 6   43  3  o 177.983 3.5187  17163.18   678.318  17501.39   959.739  16825.61   958.834  179.689 4.9313  176.182 5.0247  3.506378       7.040269  
1 1 1 6   43  4  o 50.315  2.9158  1376.05    158.219  1319.54    222.284  1434.07    225.257  49.164  4.2151  51.280  4.0897  -2.115452      5.873024  
1 1 1 6   43  5  o 354.886 6.1935  68315.56   2380.66  68561.60   3367.10  68069.62   3366.43  355.239 8.7512  353.958 8.7811  1.280762       12.39718  
1 1 1 6   43  6  o 246.132 4.5270  32838.12   1206.85  32676.88   1708.59  32998.66   1704.89  245.411 6.4280  246.619 6.3826  -1.208633      9.058523  
1 1 1 6   43  7  o 297.532 5.2514  48005.27   1692.31  48105.61   2395.21  47905.26   2391.37  297.644 7.4298  297.023 7.4334  0.6208496      10.50985  
1 1 1 6   43  8  o 479.837 9.3325  125254.50  4850.25  128333.80  8406.09  123717.70  5938.47  483.567 16.050  476.324 11.511  7.242584       19.75070  
1 1 1 6   43  9  o 175.729 3.5331  16735.38   672.468  16926.80   1358.60  16673.27   773.922  176.539 7.1053  175.382 4.0742  1.157364       8.190492  
1 1 1 6   43  10 o 178.401 3.5818  17249.60   692.107  17464.09   1397.79  17179.94   796.613  179.291 7.1980  178.017 4.1316  1.274155       8.299479  
1 1 1 6   43  11 o 251.089 4.4487  34187.62   1209.86  37350.44   2430.82  33146.12   1394.91  261.979 8.5668  247.174 5.2104  14.80499       10.02684  
1 1 1 6   43  12 o 267.771 4.8458  38895.55   1405.40  35381.79   2817.83  40059.03   1621.46  254.652 10.216  271.679 5.5104  -17.02748      11.60771  
1 1 1 6   43  13 o 377.087 6.4762  77256.71   2645.05  74425.41   5295.18  78198.06   3053.27  368.201 13.278  379.181 7.4344  -10.98010      15.21743  
1 1 1 6   43  14 o 143.243 3.1972  11121.61   496.040  11417.20   1003.44  11026.02   570.642  144.944 6.3917  142.605 3.6945  2.338867       7.382678  
1 1 1 6   43  15 o 239.188 4.3950  31041.45   1138.59  30901.39   2281.92  31087.88   1313.82  237.958 8.8538  239.291 5.0692  -1.333313      10.20228  
1 1 1 6   43  16 o 177.735 4.4042  17144.46   847.837  16211.07   1372.54  17720.35   1078.12  172.498 7.3463  180.585 5.5121  -8.087265      9.184321  
1 1 1 6   43  17 o 101.275 3.4665  5563.49    380.245  5858.41    662.918  5418.88    464.199  103.595 5.9328  99.907  4.2898  3.688141       7.321280  
1 1 1 6   43  18 o 218.805 4.1586  26004.39   985.542  26471.01   1971.38  25848.92   1137.95  219.793 8.2811  218.039 4.8186  1.753937       9.580957  
1 1 1 6   43  19 o 28.720  5.8495  466.324    175.780  264.741    336.838  541.766    206.064  24.948  9.3000  30.930  6.3633  -5.982096      11.26865  
1 1 1 6   43  20 o 114.953 3.0552  7176.46    380.386  7272.56    753.129  7143.54    440.734  115.089 6.0632  114.633 3.5498  0.4567566      7.025849  
1 1 1 6   43  21 o 38.568  1.2804  806.075    53.486   168.433    409.069  817.165    53.949   24.629  9.9393  38.832  1.2827  -14.20296      10.02170  
1 1 1 6   43  22 o 72.789  3.3038  2884.21    260.464  2902.68    552.496  2878.93    295.343  71.999  7.1806  72.569  3.7705  -0.5699158     8.110402  
1 1 1 6   43  23 o 30.534  6.1224  533.297    195.429  981.710    457.572  433.250    216.134  40.570  10.373  27.380  7.1944  13.19019       12.62358  
1 1 1 6   43  24 o 23.020  7.3668  293.435    207.684  321.010    455.204  286.186    233.391  27.548  10.681  23.156  7.8292  4.391932       13.24294  
1 1 1 6   43  25 o 40.721  5.0287  930.113    217.080  1264.48    487.053  847.224    242.499  45.619  10.122  38.555  6.0025  7.063847       11.76797  
1 1 1 6   43  26 o 56.302  4.0686  1754.39    246.439  2152.40    541.324  1650.33    276.784  60.385  8.5130  54.387  4.7463  5.998001       9.746719  
1 1 1 6   43  27 o 9.5289  3.1376  47.600     37.525   1352.51    471.043  39.265     37.645   46.751  9.6233  8.9783  3.1403  37.77246       10.12272  
1 1 1 6   43  28 o 25.473  7.1945  390.478    207.231  736.727    486.141  313.588    229.087  33.637  11.300  23.298  7.7564  10.33842       13.70575  
1 1 1 6   43  29 o 27.903  1.4171  424.551    42.688   430.377    43.150   157.143    292.340  28.094  1.4227  20.335  8.3290  7.759115       8.449615  
1 1 1 6   43  30 o 48.115  8.5024  1519.50    426.885  0.0000     0.0000   1519.50    426.885  ?       ?       48.115  8.5024  0.000000       8.502359  
1 1 1 6   43  31 o 28.052  10.167  580.404    397.952  0.0000     0.0000   580.404    397.952  ?       ?       28.052  10.167  0.000000       10.16700  
1 1 1 6   43  32 o 16.198  7.7633  -299.8083  390.454  0.0000     0.0000   -299.8083  390.454  ?       ?       16.198  7.7633  0.000000       7.763302  
1 1 1 6   43  33 o 23.384  9.7627  370.596    412.196  0.0000     0.0000   370.596    412.196  ?       ?       23.384  9.7627  0.000000       9.762659  
1 1 1 6   44  0  o 306.505 5.3700  50929.25   1782.70  49484.61   2521.77  52372.41   2520.48  301.960 7.7106  310.664 7.4907  -8.704590      10.75003  
1 1 1 6   44  1  o 191.098 4.0072  19788.22   829.395  20251.03   1247.73  19421.84   1110.17  193.250 5.9611  189.274 5.4154  3.976181       8.053653  
1 1 1 6   44  2  o 359.425 6.2156  70063.65   2419.71  71087.13   3422.51  69040.80   3421.46  361.783 8.7343  356.523 8.8604  5.260132       12.44163  
1 1 1 6   44  3  o 455.174 8.3006  112507.10  4092.23  113494.60  6340.11  111802.00  5357.71  456.305 12.828  453.296 10.913  3.009003       16.84195  
1 1 1 6   44  4  o 560.987 10.036  171150.20  6097.69  168926.50  9467.34  172726.50  7971.25  555.630 15.732  562.738 13.078  -7.108582      20.45784  
1 1 1 6   44  5  o 344.466 5.8538  64356.95   2184.00  64423.20   3088.88  64290.71   3088.40  344.380 8.2812  344.025 8.2884  0.3551941      11.71650  
1 1 1 6   44  6  o 176.326 3.5061  16847.10   669.595  17188.72   949.508  16509.13   944.413  178.055 4.9235  174.496 4.9970  3.558350       7.015029  
1 1 1 6   44  7  o 503.181 8.3927  137603.59  4574.00  139909.41  6469.66  135299.20  6467.57  506.507 11.793  498.034 11.990  8.473175       16.81759  
1 1 1 6   44  8  o 66.091  3.0856  2366.77    220.882  2534.81    422.087  2303.40    259.207  68.110  5.7761  65.089  3.6920  3.021042       6.855225  
1 1 1 6   44  9  o 256.282 4.5875  35613.89   1273.41  34033.87   2555.93  36135.57   1468.66  250.030 9.4382  258.103 5.2536  -8.072647      10.80182  
1 1 1 6   44  10 o 231.497 4.2904  29056.41   1075.74  29267.37   2161.08  28986.91   1240.33  231.925 8.6031  231.175 4.9537  0.7500000      9.927312  
1 1 1 6   44  11 f 458.408 7.6509  114256.40  3798.71  117032.30  7603.90  113333.20  4385.13  461.229 15.221  456.238 8.8740  4.991150       17.61913  
1 1 1 6   44  12 f 496.920 8.2693  134397.80  4450.64  138581.50  8907.34  133005.80  5138.00  500.919 16.418  493.908 9.6046  7.011261       19.02067  
1 1 1 6   44  13 o 166.229 3.4508  14978.34   621.298  14342.03   1252.88  15185.84   715.466  162.410 7.1224  167.352 3.9472  -4.941940      8.143009  
1 1 1 6   44  14 o 278.238 5.0003  42018.31   1506.90  40247.22   3018.50  42606.23   1739.11  271.342 10.271  280.080 5.7329  -8.737518      11.76246  
1 1 1 6   44  15 o 176.831 4.1782  16963.57   800.234  16072.80   1386.77  17408.26   979.828  171.797 7.4528  179.061 5.0522  -7.264008      9.003796  
1 1 1 6   44  16 o 77.635  3.4337  3268.57    288.732  2856.25    501.137  3473.45    353.257  72.158  6.4812  79.903  4.0956  -7.745003      7.666830  
1 1 1 6   44  17 o 100.622 2.9781  5490.08    324.560  5511.61    659.385  5483.20    372.855  100.434 6.0904  100.538 3.4240  -0.1039352     6.986890  
1 1 1 6   44  18 o 157.632 3.4693  13486.32   592.324  13894.07   1145.55  13337.52   692.012  159.529 6.6298  156.694 4.0775  2.835098       7.783349  
1 1 1 6   44  19 o 69.461  3.1607  2619.22    237.791  2783.04    466.419  2561.69    276.412  71.108  6.1155  68.560  3.7365  2.548515       7.166640  
1 1 1 6   44  20 o 62.004  3.3576  2095.60    224.647  1729.18    504.685  2186.14    250.870  55.209  8.7303  63.293  3.6754  -8.083889      9.472389  
1 1 1 6   44  21 o 57.860  3.5968  1829.50    224.290  1846.69    481.070  1824.72    253.532  57.144  7.9912  57.709  4.0826  -0.5644112     8.973677  
1 1 1 6   44  22 o 28.071  6.2781  451.585    186.094  -6.5278    408.226  571.758    209.083  21.979  9.4651  31.649  6.3207  -9.669550      11.38149  
1 1 1 6   44  23 o 83.002  3.1810  3753.85    285.970  4061.40    625.933  3672.72    321.483  85.145  6.8452  82.026  3.6186  3.118515       7.742793  
1 1 1 6   44  24 o 91.671  3.2795  4586.05    325.620  4877.31    675.408  4497.85    371.664  93.177  6.7379  90.670  3.7846  2.506935       7.728048  
1 1 1 6   44  25 o 64.322  3.6699  2274.02    254.613  2371.00    551.035  2247.69    287.099  63.923  8.1439  63.810  4.1771  0.1124916      9.152688  
1 1 1 6   44  26 o 28.906  6.5900  490.493    201.737  7.3185     475.232  596.702    222.809  23.110  10.080  31.920  6.6601  -8.810099      12.08157  
1 1 1 6   44  27 o 35.481  5.9289  727.767    219.802  1004.47    489.210  657.782    246.034  39.488  11.019  33.297  7.0422  6.190826       13.07751  
1 1 1 6   44  28 o 46.455  1.5443  1173.11    77.701   598.002    500.152  1187.34    78.656   31.060  11.376  46.734  1.5539  -15.67450      11.48209  
1 1 1 6   44  29 o 50.840  5.0231  1491.91    272.980  1634.51    543.220  1443.73    315.743  48.498  10.634  49.353  6.0324  -0.8549118     12.22624  
1 1 1 6   44  30 o 21.177  9.1068  143.587    376.881  0.0000     0.0000   143.587    376.881  ?       ?       21.177  9.1068  0.000000       9.106819  
1 1 1 6   44  31 o 22.201  9.2130  257.170    363.941  0.0000     0.0000   257.170    363.941  ?       ?       22.201  9.2130  0.000000       9.213042  
1 1 1 6   44  32 o 25.029  9.7424  457.318    379.891  0.0000     0.0000   457.318    379.891  ?       ?       25.029  9.7424  0.000000       9.742395  
1 1 1 6   45  0  o 254.914 4.9894  35224.79   1377.58  35321.61   2105.96  35152.39   1821.28  255.100 7.6220  254.560 6.6057  0.5404205      10.08613  
1 1 1 6   45  1  o 313.770 5.4448  53379.02   1850.40  52344.95   2616.99  54412.87   2616.73  310.526 7.7810  316.615 7.6306  -6.088837      10.89811  
1 1 1 6   45  2  f 423.905 7.0536  97511.46   3238.53  101035.40  4580.78  93989.99   4579.16  431.091 9.8107  415.728 10.170  15.36249       14.13054  
1 1 1 6   45  3  o 131.639 2.9545  9387.89    421.245  9598.03    596.300  9178.55    595.161  133.080 4.1370  130.138 4.2224  2.942612       5.911285  
1 1 1 6   45  4  o 236.122 4.4350  30219.75   1134.23  29116.07   1603.82  31324.03   1604.26  231.661 6.3919  240.299 6.1638  -8.638474      8.879740  
1 1 1 6   45  5  o 205.049 3.8827  22785.54   862.303  22735.43   1219.73  22835.62   1219.23  204.751 5.5001  205.202 5.4857  -0.4514160     7.768129  
1 1 1 6   45  6  o 421.748 7.2323  96574.87   3303.69  95469.17   4672.65  97680.05   4671.59  418.773 10.302  423.620 10.182  -4.846802      14.48425  
1 1 1 6   45  7  o 324.599 5.6505  57156.09   1986.58  57835.84   2810.99  56477.84   2807.90  326.255 7.9548  322.391 8.0413  3.864746       11.31118  
1 1 1 6   45  8  o 449.556 7.5769  109807.30  3689.34  111767.40  5218.88  107849.30  5216.15  452.832 10.641  444.773 10.828  8.058838       15.18112  
1 1 1 6   45  9  o 144.191 3.2302  11266.59   504.473  12085.78   996.159  10984.04   585.040  149.216 6.1637  142.354 3.7944  6.861801       7.238021  
1 1 1 6   45  10 o 162.925 3.3769  14386.01   595.902  14664.51   1206.40  14296.13   685.347  164.309 6.7789  162.395 3.8964  1.914047       7.818911  
1 1 1 6   45  11 o 440.825 7.8944  105696.50  3769.25  109469.30  6988.58  104148.80  4476.08  446.352 14.456  437.175 9.4531  9.177399       17.27223  
1 1 1 6   45  12 o 286.022 5.1417  44391.72   1592.86  41723.84   3193.06  45275.59   1837.88  276.390 10.666  288.768 5.8762  -12.37796      12.17785  
1 1 1 6   45  13 o 120.570 2.9264  7878.15    382.159  8907.04    783.914  7557.40    437.692  128.079 5.6509  118.075 3.4225  10.00422       6.606546  
1 1 1 6   45  14 o 191.755 3.7693  19938.94   782.842  21016.93   1574.72  19585.07   902.229  196.503 7.3989  190.001 4.3842  6.501129       8.600258  
1 1 1 6   45  15 o 210.428 4.9616  24041.07   1130.82  24785.60   1812.01  23566.14   1447.23  213.255 7.8450  208.161 6.4190  5.094238       10.13643  
1 1 1 6   45  16 o 200.338 4.8563  21798.94   1053.76  21270.89   1693.79  22132.37   1345.94  197.419 7.9214  201.685 6.1614  -4.265869      10.03550  
1 1 1 6   45  17 o 180.131 3.7686  17610.08   735.252  17186.11   1400.62  17771.36   863.849  177.423 7.2885  180.882 4.4093  -3.458893      8.518498  
1 1 1 6   45  18 o 114.918 3.0414  7164.95    378.552  6089.35    761.952  7517.45    436.194  105.359 6.7120  117.682 3.4222  -12.32303      7.534107  
1 1 1 6   45  19 o 30.919  5.1747  535.161    167.167  270.841    336.754  621.595    192.570  25.036  9.3055  33.314  5.5310  -8.277864      10.82518  
1 1 1 6   45  20 o 173.867 3.6061  16443.90   679.085  16618.18   1378.37  16388.04   780.364  173.582 7.3315  173.445 4.1540  0.1369019      8.426522  
1 1 1 6   45  21 o 85.905  2.7363  4009.26    254.598  3675.53    603.229  4081.60    280.837  81.279  6.9181  86.649  2.9924  -5.370483      7.537551  
1 1 1 6   45  22 o 67.330  3.4079  2475.83    247.714  2783.97    523.333  2386.85    281.211  70.521  6.9415  66.010  3.9514  4.511024       7.987375  
1 1 1 6   45  23 f 104.949 3.1115  6001.04    353.687  5931.45    740.202  6021.64    402.624  103.032 6.6687  105.036 3.5391  -2.004326      7.549632  
1 1 1 6   45  24 o 44.777  4.5753  1113.46    218.778  1115.90    497.861  1112.88    243.553  42.812  10.752  44.624  5.1326  -1.812092      11.91383  
1 1 1 6   45  25 o 32.698  6.0692  615.654    207.030  361.206    474.024  675.631    230.140  28.144  10.903  34.175  6.4541  -6.030741      12.66993  
1 1 1 6   45  26 o 39.395  5.2712  879.714    219.277  951.469    493.292  862.044    244.792  38.717  11.155  38.733  6.0314  -0.1556778E-01 12.68100  
1 1 1 6   45  27 o 22.176  0.9657  266.643    23.195   181.443    33.097   348.883    32.517   18.192  1.6993  25.359  1.1839  -7.166672      2.071049  
1 1 1 6   45  28 o 39.186  5.5922  889.577    230.614  764.189    508.244  922.086    258.788  33.793  11.553  39.607  6.2390  -5.813591      13.12991  
1 1 1 6   45  29 o 45.417  6.5121  1247.47    311.174  0.0000     0.0000   1247.47    311.174  ?       ?       45.417  6.5121  0.000000       6.512074  
1 1 1 6   45  30 o 29.390  9.5470  607.255    347.857  0.0000     0.0000   607.255    347.857  ?       ?       29.390  9.5470  0.000000       9.546978  
1 1 1 6   45  31 o 24.275  9.7839  377.383    395.849  0.0000     0.0000   377.383    395.849  ?       ?       24.275  9.7839  0.000000       9.783909  
1 1 1 6   45  32 o 21.099  9.2241  190.667    399.958  0.0000     0.0000   190.667    399.958  ?       ?       21.099  9.2241  0.000000       9.224063  
1 1 1 6   46  0  f 136.737 3.0461  10129.30   451.123  9981.50    639.992  10275.26   635.996  135.708 4.3541  137.693 4.2645  -1.984726      6.094625  
1 1 1 6   46  1  o 416.115 6.9472  93961.71   3131.08  96441.23   4428.74  91483.80   4427.31  421.162 9.7087  410.151 9.9661  11.01108       13.91337  
1 1 1 6   46  2  o 253.859 4.6486  34932.68   1278.16  34018.46   1807.64  35846.81   1807.55  250.392 6.6653  257.046 6.4925  -6.653320      9.304749  
1 1 1 6   46  3  f 362.531 6.1716  71296.46   2423.31  74084.48   3427.73  68510.53   3426.44  369.260 8.5704  355.051 8.9101  14.20966       12.36296  
1 1 1 6   46  4  o 280.922 5.0636  42788.64   1540.70  43093.95   2179.15  42483.48   2178.62  281.758 7.1407  279.750 7.1902  2.007416       10.13352  
1 1 1 6   46  5  o 24.004  4.0888  321.033    102.493  407.219    147.696  240.979    142.346  26.942  5.2500  20.848  5.9880  6.094303       7.963576  
1 1 1 6   46  6  o 71.935  2.6106  2803.31    203.402  2984.63    292.774  2634.15    282.793  74.213  3.6424  69.616  3.7645  4.596581       5.238158  
1 1 1 6   46  7  o 115.710 2.9620  7254.30    371.211  7047.67    530.866  7452.00    519.270  114.020 4.2987  117.251 4.0889  -3.230843      5.932763  
1 1 1 6   46  8  f 121.045 2.9745  7938.88    389.973  7707.98    558.576  8158.45    544.696  119.237 4.3252  122.679 4.0993  -3.441643      5.959162  
1 1 1 6   46  9  o 278.026 4.9332  41925.61   1485.54  41626.83   2980.46  42024.37   1713.56  276.383 9.9564  278.284 5.6852  -1.900757      11.46520  
1 1 1 6   46  10 o 144.053 3.2498  11245.87   507.047  10144.12   1144.16  11515.12   565.622  136.367 7.7788  145.756 3.5828  -9.388855      8.564226  
1 1 1 6   46  11 f 152.040 3.2741  12528.22   539.159  12481.88   1094.92  12543.06   619.468  151.575 6.6693  152.111 3.7600  -0.5359497     7.656210  
1 1 1 6   46  12 f 307.031 5.3213  51161.80   1769.58  53713.89   3547.94  50316.70   2041.66  313.628 10.445  304.368 6.1932  9.260620       12.14268  
1 1 1 6   46  13 o 276.842 5.1986  41600.63   1558.78  45422.67   2920.88  40078.63   1843.20  288.543 9.3462  271.590 6.2660  16.95331       11.25224  
1 1 1 6   46  14 o 65.563  2.9212  2329.78    207.439  2455.76    441.632  2294.12    234.973  66.938  6.1606  64.965  3.3508  1.972946       7.012913  
1 1 1 6   46  15 o 135.537 3.6725  9963.03    539.131  9847.09    935.883  10020.61   659.566  134.543 6.4223  135.879 4.4816  -1.336227      7.831409  
1 1 1 6   46  16 o 171.049 4.0925  15879.22   758.185  14681.50   1310.66  16481.59   929.488  164.069 7.3756  174.177 4.9270  -10.10829      8.869841  
1 1 1 6   46  17 o 234.674 4.3673  29917.73   1110.06  29415.25   2219.83  30085.28   1281.85  231.576 8.8503  235.211 5.0316  -3.634430      10.18059  
1 1 1 6   46  18 o 108.709 2.9954  6412.18    352.691  6455.98    713.514  6398.02    405.723  108.585 6.0914  108.554 3.4507  0.3085327E-01  7.000921  
1 1 1 6   46  19 o 116.075 3.0337  7315.33    381.395  7097.49    766.171  7387.10    439.751  113.694 6.2457  116.595 3.4822  -2.900589      7.150893  
1 1 1 6   46  20 o 65.247  3.4947  2322.28    246.070  3066.48    588.728  2164.75    270.865  74.159  7.4295  62.917  3.9955  11.24242       8.435722  
1 1 1 6   46  21 o 56.239  3.6978  1730.58    223.990  1470.31    480.563  1802.82    253.173  50.480  9.1253  57.339  4.1037  -6.858791      10.00555  
1 1 1 6   46  22 o 74.410  3.2651  3015.50    263.147  2240.63    551.516  3243.90    299.429  62.692  8.3284  77.132  3.5842  -14.44042      9.066875  
1 1 1 6   46  23 o 63.093  3.5397  2179.74    240.916  1737.26    505.952  2309.48    273.968  54.695  8.8424  64.870  3.9176  -10.17561      9.671417  
1 1 1 6   46  24 o 65.432  3.4116  2345.48    240.942  1776.05    537.607  2488.60    269.526  54.817  9.3929  67.334  3.7100  -12.51749      10.09900  
1 1 1 6   46  25 o 47.257  4.4365  1241.84    224.417  1514.97    507.172  1175.34    250.249  50.059  9.7044  45.759  5.1380  4.299969       10.98065  
1 1 1 6   46  26 o 31.705  6.3619  587.014    210.870  730.654    480.951  552.830    234.624  34.320  11.230  30.503  7.2147  3.816765       13.34749  
1 1 1 6   46  27 o 29.199  6.6263  505.771    204.758  333.289    484.012  543.368    225.974  27.186  10.868  30.152  7.0462  -2.965715      12.95192  
1 1 1 6   46  28 f 38.556  1.6366  808.908    68.345   377.510    501.006  817.088    68.990   27.263  11.000  38.749  1.6438  -11.48644      11.12260  
1 1 1 6   46  29 o 28.361  8.3243  527.404    272.444  0.0000     0.0000   527.404    272.444  ?       ?       28.361  8.3243  0.000000       8.324344  
1 1 1 6   46  30 f 23.985  9.6296  332.695    381.834  0.0000     0.0000   332.695    381.834  ?       ?       23.985  9.6296  0.000000       9.629576  
1 1 1 6   46  31 o 20.855  9.0921  150.703    386.217  0.0000     0.0000   150.703    386.217  ?       ?       20.855  9.0921  0.000000       9.092087  
1 1 1 6   46  32 o 23.946  9.7862  394.262    402.436  0.0000     0.0000   394.262    402.436  ?       ?       23.946  9.7862  0.000000       9.786158  
1 1 1 6   47  0  o 194.964 3.8522  20598.31   813.446  19951.81   1151.64  21242.01   1149.14  191.813 5.5433  197.926 5.3604  -6.113403      7.711171  
1 1 1 6   47  1  o 193.733 3.9734  20340.03   833.754  19580.31   1253.59  20942.67   1116.49  189.991 6.0919  196.531 5.2451  -6.540268      8.038820  
1 1 1 6   47  2  o 275.413 4.9786  41124.12   1485.13  39821.36   2100.29  42426.87   2100.29  270.854 7.1594  279.594 6.9355  -8.740509      9.967858  
1 1 1 6   47  3  o 99.313  2.8263  5343.34    304.010  5414.29    430.361  5272.68    429.510  99.952  3.9753  98.635  4.0204  1.316605       5.653927  
1 1 1 6   47  4  o 272.941 4.8892  40390.59   1445.37  39909.24   2044.35  40871.67   2043.78  271.149 6.9611  274.407 6.8765  -3.257690      9.784848  
1 1 1 6   47  5  o 161.826 3.3822  14190.11   592.804  14445.03   838.894  13935.86   837.808  163.227 4.7451  160.321 4.8248  2.905716       6.767199  
1 1 1 6   47  6  o 317.902 5.9097  54833.30   2034.82  54580.14   3130.68  55018.47   2677.51  316.756 9.1252  318.221 7.7684  -1.465240      11.98408  
1 1 1 6   47  7  o 230.132 4.1821  28709.84   1042.43  30322.21   1477.07  27109.89   1471.37  236.399 5.7688  223.503 6.0781  12.89592       8.379865  
1 1 1 6   47  8  o 307.978 5.4089  51457.76   1804.28  51491.48   2553.68  51424.15   2549.59  307.805 7.6599  307.604 7.6526  0.2002563      10.82752  
1 1 1 6   47  9  f 229.500 5.3165  28575.78   1321.54  31404.29   2906.04  27838.33   1483.85  239.844 11.187  226.459 6.0497  13.38510       12.71774  
1 1 1 6   47  10 o 303.319 5.3538  49922.02   1758.88  47892.73   3525.86  50594.30   2029.42  296.158 10.992  305.260 6.1381  -9.102753      12.58959  
1 1 1 6   47  11 o 366.880 6.3056  73105.87   2505.63  75392.29   5019.17  72346.91   2891.74  370.999 12.491  364.786 7.3190  6.212769       14.47709  
1 1 1 6   47  12 o 205.197 3.9683  22830.88   881.958  21759.35   1776.46  23181.38   1016.02  199.915 8.2043  206.726 4.5377  -6.810760      9.375546  
1 1 1 6   47  13 o 270.025 4.8739  39569.34   1425.45  37537.36   2859.05  40241.52   1644.40  262.104 10.071  272.220 5.5772  -10.11658      11.51230  
1 1 1 6   47  14 o 162.585 3.5342  14333.01   622.369  14669.82   1210.78  14212.06   725.562  164.211 6.8076  161.861 4.1387  2.349854       7.966934  
1 1 1 6   47  15 o 74.947  3.4672  3046.15    281.452  2933.91    489.044  3101.74    344.162  73.179  6.2294  75.485  4.2265  -2.305939      7.527873  
1 1 1 6   47  16 o 22.563  6.7125  280.793    176.166  465.275    313.766  195.866    212.887  29.183  9.0165  20.690  7.4452  8.492958       11.69305  
1 1 1 6   47  17 o 30.065  1.3666  489.668    44.500   332.927    311.632  492.931    44.961   25.982  9.0383  30.165  1.3761  -4.182844      9.142489  
1 1 1 6   47  18 o 59.354  3.3073  1918.53    211.766  2046.95    414.913  1873.29    246.256  60.870  6.3887  58.583  3.9034  2.286896       7.486764  
1 1 1 6   47  19 o 63.567  3.2585  2201.02    223.593  2463.11    513.111  2139.59    248.420  66.544  7.2358  62.621  3.6788  3.923027       8.117294  
1 1 1 6   47  20 o 93.730  3.1015  4775.21    314.864  4671.67    656.852  4806.10    358.770  91.879  6.6454  93.983  3.5245  -2.103813      7.522209  
1 1 1 6   47  21 o 200.315 4.1704  21904.09   904.828  22163.24   1725.56  21805.81   1062.64  199.396 7.9899  199.557 4.9164  -0.1606140     9.381352  
1 1 1 6   47  22 o 124.748 3.1668  8474.50    427.881  8682.99    871.768  8408.33    491.106  125.030 6.4595  124.147 3.6523  0.8837051      7.420585  
1 1 1 6   47  23 o 111.094 3.1698  6728.02    381.406  7153.49    770.450  6589.91    438.969  113.296 6.3035  109.819 3.6905  3.476181       7.304390  
1 1 1 6   47  24 o 33.797  5.6077  649.579    198.077  370.025    428.743  725.439    223.341  27.805  10.467  35.648  5.9974  -7.842636      12.06368  
1 1 1 6   47  25 o 101.790 3.1968  5666.20    352.448  5686.39    726.666  5660.00    403.027  100.112 6.7408  101.580 3.6632  -1.467636      7.671870  
1 1 1 6   47  26 o 56.498  4.0133  1768.85    243.993  2564.53    539.514  1564.27    273.568  66.279  7.6564  52.840  4.8336  13.43869       9.054468  
1 1 1 6   47  27 o 52.530  2.2751  1505.03    129.441  1721.27    527.471  1491.18    133.524  52.571  9.6181  52.274  2.3583  0.2970772      9.903031  
1 1 1 6   47  28 o 64.278  3.8780  2309.32    268.722  2302.64    586.699  2311.09    302.295  60.050  9.3229  64.028  4.3855  -3.977825      10.30287  
1 1 1 6   47  29 o 54.063  6.9235  1792.49    396.096  0.0000     0.0000   1792.49    396.096  ?       ?       54.063  6.9235  0.000000       6.923537  
1 1 1 6   47  30 o 25.595  9.8193  431.201    381.747  0.0000     0.0000   431.201    381.747  ?       ?       25.595  9.8193  0.000000       9.819255  
1 1 1 6   47  31 o 22.395  9.2064  284.485    358.795  0.0000     0.0000   284.485    358.795  ?       ?       22.395  9.2064  0.000000       9.206387  
1 1 1 6   47  32 o 29.763  10.375  723.818    410.751  0.0000     0.0000   723.818    410.751  ?       ?       29.763  10.375  0.000000       10.37533  
1 1 1 6   48  0  f 268.626 5.1179  39125.39   1489.06  40049.13   1968.52  37889.89   2276.61  271.664 6.6902  264.126 7.9580  7.537018       10.39659  
1 1 1 6   48  1  o 252.365 4.5008  34522.91   1230.23  35377.14   1740.40  33669.86   1739.22  255.354 6.2927  249.105 6.4462  6.249100       9.008390  
1 1 1 6   48  2  o 171.421 3.2869  15921.68   610.258  16261.19   863.174  15582.40   862.897  173.196 4.6014  169.539 4.6991  3.657028       6.576834  
1 1 1 6   48  3  o 186.595 3.7288  18868.31   753.591  18720.00   1066.29  19016.32   1065.19  185.796 5.2987  187.263 5.2517  -1.466949      7.460348  
1 1 1 6   48  4  o 258.155 4.6894  36131.27   1311.20  35957.35   1854.65  36305.05   1854.00  257.389 6.6528  258.633 6.6184  -1.244415      9.384169  
1 1 1 6   48  5  o 150.650 3.3395  12298.01   544.901  11905.70   800.604  12636.59   743.747  148.173 4.9886  152.673 4.4977  -4.499344      6.716821  
1 1 1 6   48  6  o 128.406 3.0098  8933.71    418.588  8898.24    593.388  8968.84    590.568  128.118 4.2762  128.626 4.2391  -0.5084076     6.021277  
1 1 1 6   48  7  o 202.480 3.9447  22223.07   865.109  22400.21   1226.49  22047.68   1220.43  203.193 5.5730  201.587 5.5896  1.606354       7.893123  
1 1 1 6   48  8  o 287.675 5.1435  44891.41   1602.63  44162.84   2268.59  45617.25   2264.34  285.086 7.3470  289.760 7.2150  -4.673676      10.29728  
1 1 1 6   48  9  o 282.980 5.8255  43463.75   1785.51  43507.82   3100.74  43441.89   2183.93  282.483 10.134  282.751 7.1312  -0.2680054     12.39204  
1 1 1 6   48  10 o 320.431 5.6543  55729.36   1962.38  52306.08   3932.81  56864.24   2264.43  309.286 11.740  323.566 6.4614  -14.28006      13.40075  
1 1 1 6   48  11 o 416.973 7.1666  94519.34   3236.61  88406.21   6479.23  96552.02   3736.16  400.711 14.929  421.186 8.1900  -20.47525      17.02769  
1 1 1 6   48  12 o 264.466 5.0667  37957.25   1451.32  39890.45   2724.00  37190.96   1715.00  270.443 9.2995  261.665 6.0513  8.778107       11.09502  
1 1 1 6   48  13 o 102.430 2.8581  5686.21    317.086  5696.18    663.000  5683.26    361.057  102.212 6.0154  102.392 3.2557  -0.1801758     6.839874  
1 1 1 6   48  14 o 237.310 4.3600  30557.59   1120.65  30731.88   2250.05  30500.09   1292.34  237.287 8.7548  237.010 5.0343  0.2770386      10.09910  
1 1 1 6   48  15 o 251.028 5.3041  34242.66   1442.12  33307.21   2500.15  34709.08   1765.41  246.688 9.3573  252.525 6.4546  -5.836472      11.36753  
1 1 1 6   48  16 f 79.874  3.3982  3461.00    293.989  2864.33    513.778  3751.47    358.477  72.189  6.6456  83.132  3.9813  -10.94256      7.746926  
1 1 1 6   48  17 o 30.223  4.9893  510.012    157.622  -127.1045  314.686  723.390    182.114  17.882  7.9813  36.161  4.7658  -18.27938      9.295936  
1 1 1 6   48  18 o 151.320 3.3228  12433.98   544.585  10667.02   1083.45  13031.32   629.946  139.279 7.2068  154.854 3.7559  -15.57422      8.126747  
1 1 1 6   48  19 f 29.407  5.4817  487.712    168.173  971.829    424.651  397.662    183.147  40.956  9.7190  26.404  6.4576  14.55210       11.66870  
1 1 1 6   48  20 o 90.417  3.0916  4444.21    302.761  4643.15    634.468  4385.55    344.516  91.625  6.4341  89.764  3.5435  1.860619       7.345357  
1 1 1 6   48  21 o 130.658 3.2195  9290.63    455.606  9691.67    928.691  9163.51    522.849  132.466 6.4728  129.654 3.7232  2.811874       7.467271  
1 1 1 6   48  22 o 64.899  3.4304  2302.84    240.276  2259.38    515.152  2314.93    271.632  63.095  7.6978  64.984  3.8769  -1.888794      8.618975  
1 1 1 6   48  23 o 38.295  2.0400  798.692    84.311   749.980    436.930  800.576    85.926   35.502  10.573  38.337  2.0771  -2.834869      10.77560  
1 1 1 6   48  24 o 32.230  1.3728  563.431    47.923   403.256    417.480  565.570    48.242   28.205  10.384  32.291  1.3793  -4.086046      10.47545  
1 1 1 6   48  25 o 63.934  3.7377  2251.43    257.696  1918.67    520.843  2359.29    296.534  56.917  8.7273  65.306  4.2148  -8.388874      9.691737  
1 1 1 6   48  26 o 19.961  7.1558  201.830    196.484  659.010    442.966  89.847     219.231  32.760  10.780  17.817  7.2454  14.94357       12.98843  
1 1 1 6   48  27 o 17.281  6.9750  94.856     201.487  -189.7711  472.796  158.019    222.724  20.578  9.4217  19.280  7.4722  1.298342       12.02511  
1 1 1 6   48  28 f 54.311  4.1860  1662.84    244.340  1236.31    560.782  1762.79    271.464  41.269  11.894  55.740  4.5358  -14.47102      12.72994  
1 1 1 6   48  29 f 31.485  10.507  712.376    420.271  0.0000     0.0000   712.376    420.271  ?       ?       31.485  10.507  0.000000       10.50675  
1 1 1 6   48  30 f 24.209  9.3535  366.977    348.159  0.0000     0.0000   366.977    348.159  ?       ?       24.209  9.3535  0.000000       9.353518  
1 1 1 6   48  31 o 26.512  10.003  520.520    392.022  0.0000     0.0000   520.520    392.022  ?       ?       26.512  10.003  0.000000       10.00273  
1 1 1 6   48  32 o 18.578  8.5175  -17.6044   388.189  0.0000     0.0000   -17.6044   388.189  ?       ?       18.578  8.5175  0.000000       8.517458  
1 1 1 6   49  0  f 284.372 5.0599  43847.62   1558.49  45432.68   2205.45  42266.64   2202.61  289.301 7.0385  279.015 7.2885  10.28610       10.13227  
1 1 1 6   49  1  o 110.958 2.9264  6670.15    351.694  6423.44    495.797  6920.02    498.958  108.863 4.2049  112.995 4.0769  -4.132484      5.856848  
1 1 1 6   49  2  o 397.328 6.8038  85689.34   2927.99  85442.02   4141.37  85936.52   4140.24  396.298 9.6483  397.449 9.6178  -1.150848      13.62319  
1 1 1 6   49  3  o 203.788 3.9360  22508.24   868.768  22816.88   1227.82  22198.79   1229.43  205.102 5.5271  202.300 5.6110  2.801910       7.875985  
1 1 1 6   49  4  o 98.837  2.7591  5292.41    295.367  5032.74    415.475  5557.75    419.985  96.361  3.9808  101.265 3.8292  -4.904716      5.523548  
1 1 1 6   49  5  o 399.870 6.8391  86816.97   2962.02  85527.54   4189.16  88106.11   4188.69  396.357 9.7582  402.319 9.6125  -5.961914      13.69756  
1 1 1 6   49  6  o 201.625 3.8784  22034.78   846.975  22395.86   1199.22  21675.40   1196.39  203.185 5.4493  199.885 5.5262  3.299744       7.760989  
1 1 1 6   49  7  o 221.707 4.2154  26648.37   1012.24  26787.00   1434.25  26510.78   1428.82  222.162 5.9605  221.013 5.9688  1.149078       8.435317  
1 1 1 6   49  8  f 86.738  2.7058  4076.29    254.199  4474.64    371.843  3726.80    348.294  90.857  3.7786  82.916  3.8783  7.941315       5.414670  
1 1 1 6   49  9  o 239.497 4.9785  31114.96   1291.42  32494.88   2247.06  30434.39   1578.06  244.358 8.4902  236.758 6.1539  7.600311       10.48590  
1 1 1 6   49  10 o 141.828 3.0744  10900.84   472.276  13526.08   966.131  10076.55   541.366  157.858 5.6507  136.341 3.6660  21.51733       6.735699  
1 1 1 6   49  11 o 43.147  3.8959  1017.60    180.102  1691.30    358.592  790.327    208.277  55.477  6.0667  37.806  5.2262  17.67143       8.007336  
1 1 1 6   49  12 o 280.091 5.0130  42576.64   1520.77  42716.83   3049.93  42530.25   1754.43  279.641 10.070  279.838 5.7884  -0.1970520     11.61490  
1 1 1 6   49  13 o 207.427 3.9325  23335.06   883.489  24989.87   1780.52  22794.55   1017.60  214.214 7.6741  204.956 4.5840  9.257401       8.938981  
1 1 1 6   49  14 o 223.459 4.2219  27094.51   1021.83  26322.21   2052.32  27349.05   1178.25  219.574 8.6296  224.437 4.8470  -4.862701      9.897690  
1 1 1 6   49  15 o 238.312 5.1332  30860.79   1324.97  28608.64   2297.12  31983.63   1621.98  228.573 9.2787  242.424 6.1773  -13.85060      11.14691  
1 1 1 6   49  16 o 122.084 3.5229  8087.58    465.836  8516.81    810.356  7875.73    569.304  125.048 5.9832  120.410 4.3653  4.637482       7.406335  
1 1 1 6   49  17 o 127.080 3.0887  8762.98    425.136  8481.08    847.872  8857.66    491.369  124.474 6.3096  127.724 3.5519  -3.249992      7.240695  
1 1 1 6   49  18 o 191.300 3.9597  19901.37   820.447  18526.84   1553.38  20433.16   966.211  183.473 7.8169  193.697 4.6055  -10.22401      9.072729  
1 1 1 6   49  19 o 32.156  5.4628  580.958    183.453  1008.05    434.507  488.309    202.375  41.664  9.7939  29.251  6.5507  12.41342       11.78265  
1 1 1 6   49  20 o 74.864  3.1102  3047.50    252.195  2929.89    558.221  3077.66    282.690  72.435  7.2111  75.196  3.4709  -2.761658      8.002938  
1 1 1 6   49  21 o 155.089 3.4476  13102.49   579.122  13021.60   1171.65  13128.65   666.191  153.182 7.0619  155.097 3.9658  -1.915070      8.099219  
1 1 1 6   49  22 o 93.992  3.1417  4812.73    319.830  4169.70    662.467  5008.16    365.212  86.158  7.1639  95.809  3.5194  -9.651001      7.981746  
1 1 1 6   49  23 o 63.496  3.4844  2208.41    238.714  2867.18    511.094  2024.60    269.970  71.367  6.6901  60.645  4.1347  10.72230       7.864672  
1 1 1 6   49  24 o 73.390  3.3599  2945.08    267.078  2860.66    558.703  2970.08    304.071  70.706  7.4053  73.499  3.8329  -2.792496      8.338460  
1 1 1 6   49  25 o 25.573  6.8773  384.067    194.633  409.303    424.373  377.345    219.027  28.105  10.446  25.398  7.4664  2.706732       12.84021  
1 1 1 6   49  26 o 36.525  5.4836  762.718    210.234  755.975    445.205  764.654    238.501  34.693  10.744  36.283  6.2973  -1.590900      12.45333  
1 1 1 6   49  27 o 29.381  1.7129  471.159    54.275   -53.4762   462.058  478.499    54.653   21.628  9.6609  29.610  1.7114  -7.982519      9.811292  
1 1 1 6   49  28 o 92.186  3.5799  4729.72    357.445  4496.27    713.284  4808.01    413.053  85.465  7.7912  92.541  4.1210  -7.075760      8.813895  
1 1 1 6   49  29 o 62.976  6.1326  2372.32    412.995  0.0000     0.0000   2372.32    412.995  ?       ?       62.976  6.1326  0.000000       6.132640  
1 1 1 6   49  30 o 23.458  9.4689  317.945    371.368  0.0000     0.0000   317.945    371.368  ?       ?       23.458  9.4689  0.000000       9.468918  
1 1 1 6   49  31 f 33.940  10.108  891.187    399.297  0.0000     0.0000   891.187    399.297  ?       ?       33.940  10.108  0.000000       10.10780  
1 1 1 6   49  32 o 20.227  8.7737  164.265    355.906  0.0000     0.0000   164.265    355.906  ?       ?       20.227  8.7737  0.000000       8.773685  
1 1 1 6   50  0  o 344.273 6.0375  64304.69   2251.27  64040.46   3184.76  64568.59   3182.81  343.247 8.5664  344.665 8.5259  -1.418427      12.08616  
1 1 1 6   50  1  o 247.533 4.5120  33216.70   1209.67  33682.83   1711.06  32750.93   1710.42  249.138 6.3410  245.661 6.4283  3.477585       9.029440  
1 1 1 6   50  2  f 112.974 3.0402  6915.25    372.013  6499.83    526.190  7330.40    526.023  109.499 4.4367  116.291 4.1763  -6.792526      6.093091  
1 1 1 6   50  3  o 349.914 5.9527  66433.73   2256.04  68535.37   3191.36  64334.29   3189.70  355.088 8.2979  343.992 8.5611  11.09598       11.92261  
1 1 1 6   50  4  o 230.661 4.3008  28842.42   1074.46  29591.62   1520.51  28095.18   1518.52  233.523 6.0116  227.531 6.1618  5.992691       8.608550  
1 1 1 6   50  5  o 221.485 4.0684  26591.36   975.975  27209.30   1380.76  25974.36   1379.72  223.942 5.6926  218.792 5.8222  5.150330       8.142727  
1 1 1 6   50  6  f 246.748 4.4389  33011.38   1186.32  34236.73   1678.87  31789.40   1676.55  251.147 6.1719  241.984 6.3967  9.163315       8.888800  
1 1 1 6   50  7  o 179.783 3.5591  17517.86   693.041  18271.59   984.177  16776.47   976.089  183.542 4.9507  175.862 5.1244  7.679291       7.125277  
1 1 1 6   50  8  o 134.815 3.0999  9848.96    452.645  9686.90    646.745  10004.57   633.727  133.656 4.4676  135.836 4.3074  -2.180099      6.205925  
1 1 1 6   50  9  f 518.077 8.7068  146122.00  4885.68  147146.50  6910.74  145098.30  6908.04  518.534 12.305  514.877 12.387  3.657715       17.46019  
1 1 1 6   50  10 o 350.637 6.1107  66764.94   2320.71  64886.65   4649.48  67388.15   2678.19  344.180 12.472  352.115 7.0224  -7.935699      14.31343  
1 1 1 6   50  11 f 126.106 3.0358  8618.56    414.654  8797.83    839.961  8560.80    476.803  127.268 6.0935  125.668 3.5030  1.600746       7.028687  
1 1 1 6   50  12 o 116.464 2.9530  7351.35    372.503  8130.40    769.374  7112.81    425.729  122.343 5.8061  114.544 3.4316  7.799469       6.744404  
1 1 1 6   50  13 o 145.977 3.2008  11551.75   506.079  12090.70   1030.71  11380.54   580.926  149.120 6.3816  144.867 3.7024  4.253387       7.377837  
1 1 1 6   50  14 o 201.712 4.1078  22077.52   897.447  23038.58   1705.93  21709.76   1055.28  205.560 7.6622  199.946 4.8729  5.614212       9.080410  
1 1 1 6   50  15 o 172.419 4.1280  16137.49   770.892  15133.10   1338.39  16636.14   943.033  166.531 7.4202  174.970 4.9762  -8.438873      8.934302  
1 1 1 6   50  16 o 58.409  2.1651  1849.09    136.972  1717.64    399.326  1866.62    145.818  55.699  6.7576  58.683  2.2942  -2.983486      7.136432  
1 1 1 6   50  17 o 93.876  2.9028  4781.52    295.147  4621.32    592.402  4834.42    340.404  91.819  5.9896  94.366  3.3305  -2.546707      6.853293  
1 1 1 6   50  18 o 157.889 3.3989  13545.17   581.238  12370.21   1162.91  13936.43   671.074  150.034 7.1562  160.074 3.8706  -10.04002      8.135920  
1 1 1 6   50  19 o 15.609  2.9567  136.727    48.156   268.028    429.558  135.056    48.462   26.710  10.370  15.506  2.9940  11.20385       10.79359  
1 1 1 6   50  20 o 20.106  6.7528  210.266    173.613  712.078    413.267  102.726    191.314  35.074  10.240  17.571  6.8929  17.50325       12.34417  
1 1 1 6   50  21 o 119.768 3.1432  7807.92    407.739  8302.57    835.776  7653.42    467.096  122.405 6.3257  118.475 3.6401  3.930771       7.298238  
1 1 1 6   50  22 o 62.789  2.3920  2142.57    162.672  1899.47    503.301  2170.93    171.898  57.494  8.3246  63.192  2.5115  -5.698193      8.695214  
1 1 1 6   50  23 o 47.046  2.0195  1202.25    102.908  1100.38    456.353  1207.71    105.628  42.748  10.029  47.150  2.0684  -4.401459      10.24027  
1 1 1 6   50  24 o 47.231  2.1457  1213.02    109.764  1293.01    464.166  1208.28    112.968  46.308  9.5707  47.132  2.2129  -0.8241539     9.823221  
1 1 1 6   50  25 o 25.107  2.6343  347.579    70.570   532.583    440.971  342.716    71.491   30.481  10.742  24.919  2.6915  5.561836       11.07409  
1 1 1 6   50  26 o 18.909  7.0352  167.191    192.571  519.725    419.596  73.124     216.745  29.805  10.481  17.366  7.1491  12.43905       12.68704  
1 1 1 6   50  27 o 21.708  7.2679  269.139    201.102  482.012    432.682  210.483    227.124  28.583  10.563  20.523  7.6394  8.060507       13.03603  
1 1 1 6   50  28 o 70.480  4.6554  2834.05    353.377  0.0000     0.0000   2834.05    353.377  ?       ?       70.480  4.6554  0.000000       4.655401  
1 1 1 6   50  29 o 31.191  9.9357  689.547    378.122  0.0000     0.0000   689.547    378.122  ?       ?       31.191  9.9357  0.000000       9.935746  
1 1 1 6   50  30 f 31.145  10.002  722.278    382.590  0.0000     0.0000   722.278    382.590  ?       ?       31.145  10.002  0.000000       10.00200  
1 1 1 6   50  31 o 33.537  10.127  877.419    398.807  0.0000     0.0000   877.419    398.807  ?       ?       33.537  10.127  0.000000       10.12746  
1 1 1 6   51  0  o 129.544 2.9922  9092.43    419.837  8951.57    596.597  9230.63    590.924  128.504 4.2864  130.495 4.1809  -1.990768      5.987729  
1 1 1 6   51  1  o 206.858 3.9126  23192.13   876.604  23627.27   1239.25  22756.35   1240.16  208.707 5.4821  204.818 5.5904  3.889252       7.829816  
1 1 1 6   51  2  o 441.095 7.3662  105677.80  3519.21  106370.30  4977.62  104985.70  4976.22  441.893 10.400  438.992 10.466  2.901703       14.75444  
1 1 1 6   51  3  o 344.967 6.0167  64575.37   2248.07  65267.24   3179.83  63884.00   3178.66  346.469 8.4736  342.763 8.5621  3.705353       12.04624  
1 1 1 6   51  4  o 394.618 6.5477  84538.69   2798.56  89122.52   3958.85  79959.88   3956.68  404.730 9.0310  383.260 9.5316  21.47031       13.13051  
1 1 1 6   51  5  o 120.481 2.9294  7865.05    382.273  7456.27    544.687  8261.83    536.635  117.274 4.2882  123.455 4.0133  -6.180984      5.873239  
1 1 1 6   51  6  o 256.197 4.9437  35599.25   1371.82  35757.39   2095.60  35480.67   1814.67  256.509 7.5429  255.624 6.5543  0.8849792      9.992664  
1 1 1 6   51  7  o 373.086 6.4356  75581.10   2600.57  77771.36   3679.23  73394.33   3676.29  377.976 8.9872  367.130 9.2453  10.84567       12.89357  
1 1 1 6   51  8  o 229.742 4.2177  28618.29   1049.51  28481.74   1487.58  28753.61   1480.91  229.053 5.9962  230.148 5.9409  -1.095718      8.440863  
1 1 1 6   51  9  o 164.939 3.4744  14745.54   620.688  14618.88   884.161  14868.62   871.544  164.155 4.9729  165.558 4.8604  -1.402725      6.953604  
1 1 1 6   51  10 o 245.994 5.6532  32851.26   1506.21  33458.55   2395.20  32454.02   1937.18  247.807 8.9240  244.301 7.3211  3.506088       11.54278  
1 1 1 6   51  11 o 168.602 3.5097  15410.46   640.927  13292.41   1296.28  16095.80   737.364  156.284 7.6580  172.287 3.9515  -16.00253      8.617338  
1 1 1 6   51  12 o 277.913 4.9656  41922.71   1494.69  42201.54   2997.32  41830.42   1724.41  277.880 9.9588  277.501 5.7373  0.3790283      11.49318  
1 1 1 6   51  13 f 171.664 3.5252  15979.41   655.439  16840.19   1325.15  15700.62   754.148  175.896 6.9556  170.121 4.0929  5.775391       8.070481  
1 1 1 6   51  14 o 253.837 4.6020  34984.25   1265.22  35479.49   2538.15  34820.50   1459.48  254.642 9.2028  253.131 5.3233  1.510559       10.63148  
1 1 1 6   51  15 o 203.948 5.6101  22631.64   1239.26  21935.01   1753.21  23327.26   1751.94  200.282 8.0821  206.602 7.8292  -6.319794      11.25239  
1 1 1 6   51  16 o 105.907 2.8828  6083.75    330.680  6082.40    678.536  6084.17    378.695  105.459 5.9649  105.885 3.3021  -0.4260406     6.817913  
1 1 1 6   51  17 o 71.301  2.9667  2758.95    229.103  2593.58    461.452  2813.04    263.929  68.601  6.2802  71.973  3.3857  -3.372322      7.134655  
1 1 1 6   51  18 o 49.732  2.0638  1341.15    111.166  1680.74    481.174  1322.01    114.257  54.525  8.4189  49.373  2.1366  5.151421       8.685794  
1 1 1 6   51  19 o 89.419  3.1279  4346.25    302.936  4180.03    643.097  4393.66    343.426  86.814  6.8962  89.860  3.5286  -3.045586      7.746472  
1 1 1 6   51  20 o 72.933  2.5296  2888.93    199.827  2991.47    549.509  2873.30    214.513  73.205  7.0165  72.719  2.7236  0.4856491      7.526532  
1 1 1 6   51  21 o 64.983  3.4277  2307.75    240.402  1924.97    517.515  2413.07    271.469  57.957  8.4965  66.388  3.7911  -8.431076      9.303905  
1 1 1 6   51  22 o 127.919 3.2047  8919.41    444.015  9426.20    905.894  8759.16    509.399  130.234 6.4222  126.623 3.7143  3.610573       7.418921  
1 1 1 6   51  23 o 92.742  3.1426  4693.07    315.669  5313.44    657.480  4507.22    359.859  97.422  6.2642  90.766  3.6605  6.655190       7.255292  
1 1 1 6   51  24 o 95.957  3.0774  5029.59    319.839  5608.88    672.823  4860.47    363.542  99.826  6.2544  94.192  3.5634  5.633919       7.198318  
1 1 1 6   51  25 o 20.701  7.0699  230.223    190.335  102.158    425.451  262.267    212.820  23.202  9.8159  21.959  7.4760  1.243702       12.33867  
1 1 1 6   51  26 o 23.346  7.1383  318.333    197.245  -438.1303  429.570  520.433    222.036  17.525  8.3275  29.524  7.0421  -11.99958      10.90593  
1 1 1 6   51  27 o 80.922  3.5830  3625.83    314.042  2569.48    605.333  4014.84    367.343  64.178  8.9521  84.927  3.9935  -20.74844      9.802427  
1 1 1 6   51  28 o 102.165 4.0417  5870.72    447.239  0.0000     0.0000   5870.72    447.239  ?       ?       102.165 4.0417  0.000000       4.041723  
1 1 1 6   51  29 o 30.709  10.484  685.583    418.563  0.0000     0.0000   685.583    418.563  ?       ?       30.709  10.484  0.000000       10.48425  
1 1 1 6   51  30 o 42.854  8.2399  1227.48    368.568  0.0000     0.0000   1227.48    368.568  ?       ?       42.854  8.2399  0.000000       8.239857  
1 1 1 6   51  31 o 44.194  8.9035  1380.78    411.451  0.0000     0.0000   1380.78    411.451  ?       ?       44.194  8.9035  0.000000       8.903493  
1 1 1 6   52  0  o 33.085  1.3205  592.848    47.318   608.697    50.015   457.685    146.062  33.524  1.3774  28.654  4.8812  4.869732       5.071851  
1 1 1 6   52  1  o 223.648 4.4642  27117.30   1081.37  27395.02   1641.63  26904.43   1437.25  224.631 6.7474  222.672 5.9593  1.958984       9.002259  
1 1 1 6   52  2  o 189.233 3.7938  19408.05   777.578  19125.09   1099.68  19690.99   1099.65  187.770 5.4072  190.532 5.3286  -2.762283      7.591538  
1 1 1 6   52  3  o 208.770 3.7115  23622.19   839.234  25267.91   1188.30  21984.46   1185.42  215.845 5.0829  201.312 5.4367  14.53340       7.442674  
1 1 1 6   52  4  o 391.352 7.1921  83196.09   3048.56  81240.07   4711.67  84604.63   3998.27  385.866 11.274  394.232 9.3638  -8.366364      14.65528  
1 1 1 6   52  5  o 107.680 2.8776  6282.52    335.617  6098.34    474.376  6467.10    474.892  106.062 4.1295  109.225 4.0142  -3.162788      5.759038  
1 1 1 6   52  6  o 114.923 2.9004  7156.29    361.025  6997.30    512.666  7312.70    508.492  113.607 4.1664  116.143 4.0422  -2.535927      5.805011  
1 1 1 6   52  7  o 119.263 2.9672  7707.35    383.290  7343.98    549.817  8050.91    534.612  116.378 4.3619  121.862 4.0504  -5.483162      5.952497  
1 1 1 6   52  8  o 209.056 3.9896  23694.27   903.352  23517.10   1281.80  23869.10   1273.31  208.154 5.6855  209.713 5.6058  -1.558578      7.984326  
1 1 1 6   52  9  o 322.383 5.6998  56418.18   1990.22  54724.52   2816.84  58106.45   2812.36  317.103 8.2015  326.804 7.9454  -9.700897      11.41897  
1 1 1 6   52  10 o 65.148  3.3425  2306.61    235.062  1922.44    446.187  2454.20    276.552  59.039  7.1214  67.171  3.8170  -8.132065      8.079828  
1 1 1 6   52  11 o 118.467 2.9935  7606.44    384.107  6375.86    790.817  7986.38    439.421  108.074 6.7904  121.378 3.3425  -13.30397      7.568487  
1 1 1 6   52  12 o 381.484 7.0211  79184.89   2901.01  78967.48   5389.30  79273.59   3442.28  378.737 13.138  381.331 8.3344  -2.594116      15.55847  
1 1 1 6   52  13 o 227.308 4.1940  28036.21   1032.55  30222.23   2075.08  27316.84   1190.38  235.366 8.1400  224.292 4.9001  11.07385       9.501025  
1 1 1 6   52  14 o 110.535 3.3857  6626.62    405.342  6698.35    717.719  6593.02    491.173  110.793 6.0034  110.215 4.1146  0.5781250      7.278059  
1 1 1 6   52  15 o 92.189  3.3437  4610.85    333.872  4356.15    595.713  4727.49    403.138  89.199  6.2046  93.312  3.9888  -4.112984      7.376189  
1 1 1 6   52  16 o 56.143  3.2545  1716.40    197.054  2166.74    447.108  1607.83    219.525  62.619  6.6961  54.281  3.7571  8.338356       7.678094  
1 1 1 6   52  17 o 55.083  3.1587  1652.78    187.662  1709.06    386.272  1635.39    214.704  55.495  6.5528  54.738  3.6422  0.7566986      7.497014  
1 1 1 6   52  18 o 131.240 3.1450  9358.12    447.047  10160.97   940.302  9123.65    508.151  136.064 6.3805  129.516 3.6224  6.547684       7.337077  
1 1 1 6   52  19 o 237.910 4.4423  30894.79   1144.69  30380.13   2301.23  31064.00   1319.52  233.004 9.1186  238.258 5.1133  -5.254044      10.45438  
1 1 1 6   52  20 o 228.851 4.3247  28611.25   1071.97  29238.18   2157.09  28405.64   1235.30  228.319 8.7228  227.689 5.0091  0.6299286      10.05875  
1 1 1 6   52  21 o 56.656  2.3479  1743.75    144.074  1605.92    490.233  1756.78    150.730  52.649  8.9150  56.859  2.4475  -4.209751      9.244884  
1 1 1 6   52  22 o 14.318  2.2605  114.089    33.891   305.838    411.356  112.778    34.007   26.605  10.196  14.230  2.2837  12.37483       10.44882  
1 1 1 6   52  23 o 39.750  4.8260  883.430    203.517  693.155    447.351  933.089    228.537  34.147  10.800  40.740  5.3051  -6.592430      12.03228  
1 1 1 6   52  24 o 44.312  4.2750  1091.08    202.630  1041.14    467.313  1102.64    224.869  41.022  10.480  44.418  4.7477  -3.396446      11.50492  
1 1 1 6   52  25 o 23.314  1.2632  295.731    31.779   -42.5769   515.701  297.020    31.840   23.350  10.331  23.365  1.2629  -0.1480103E-01 10.40764  
1 1 1 6   52  26 o 22.867  1.2846  284.690    31.686   265.131    426.989  284.798    31.774   25.273  10.170  22.871  1.2879  2.402407       10.25144  
1 1 1 6   52  27 o 28.730  7.2979  508.888    227.533  626.938    452.231  468.876    263.285  30.906  10.880  27.380  8.2199  3.525467       13.63580  
1 1 1 6   52  28 o 25.274  9.1086  399.567    318.756  0.0000     0.0000   399.567    318.756  ?       ?       25.274  9.1086  0.000000       9.108605  
1 1 1 6   52  29 o 29.046  9.8998  596.711    373.193  0.0000     0.0000   596.711    373.193  ?       ?       29.046  9.8998  0.000000       9.899814  
1 1 1 6   52  30 o 29.917  9.9593  669.955    377.697  0.0000     0.0000   669.955    377.697  ?       ?       29.917  9.9593  0.000000       9.959285  
1 1 1 6   52  31 o 20.285  8.7094  167.669    343.728  0.0000     0.0000   167.669    343.728  ?       ?       20.285  8.7094  0.000000       8.709373  
1 1 1 6   53  0  o 177.441 3.5214  17062.98   676.770  16818.96   958.460  17305.61   955.740  176.103 5.0250  178.637 4.9397  -2.533890      7.046348  
1 1 1 6   53  1  o 128.477 2.9061  8943.45    404.404  8975.97    569.491  8910.37    574.366  128.680 4.0861  128.208 4.1362  0.4725952      5.814144  
1 1 1 6   53  2  f 402.431 6.8378  87943.91   2980.43  90441.37   4215.95  85448.79   4213.98  407.579 9.5502  396.109 9.8222  11.46988       13.69969  
1 1 1 6   53  3  o 337.683 6.3447  61900.39   2320.53  63865.26   3576.04  60471.20   3049.86  342.468 9.6408  333.456 8.4445  9.011658       12.81614  
1 1 1 6   53  4  o 136.724 3.0305  10129.14   448.779  10501.16   633.679  9754.78    635.664  139.176 4.2037  134.133 4.3754  5.043213       6.067601  
1 1 1 6   53  5  o 178.848 3.5902  17336.43   695.455  17110.19   983.803  17562.41   983.242  177.604 5.1143  179.939 5.0450  -2.335709      7.183903  
1 1 1 6   53  6  o 203.206 3.9719  22385.04   874.182  21568.99   1236.53  23200.45   1236.03  199.357 5.7267  206.775 5.5190  -7.417847      7.953268  
1 1 1 6   53  7  o 200.406 3.8553  21772.11   836.829  21783.44   1185.64  21760.87   1181.28  200.356 5.4636  200.254 5.4463  0.1024933      7.714486  
1 1 1 6   53  8  o 222.044 4.1095  26732.54   988.325  27588.06   1401.80  25886.95   1393.64  225.441 5.7409  218.366 5.8925  7.074707       8.226748  
1 1 1 6   53  9  o 109.306 2.9569  6474.71    350.070  5991.62    509.597  6906.40    481.727  105.104 4.4765  112.862 3.9408  -7.757965      5.963945  
1 1 1 6   53  10 o 39.052  4.0743  836.018    169.795  1214.32    355.402  724.134    193.279  46.705  7.2615  36.178  5.0719  10.52753       8.857397  
1 1 1 6   53  11 o 65.623  2.8092  2333.83    199.671  2429.07    449.882  2310.47    222.819  66.556  6.3165  65.288  3.1510  1.268044       7.058801  
1 1 1 6   53  12 o 92.117  2.8498  4599.14    284.335  4608.08    595.555  4596.50    323.597  91.880  6.0178  92.079  3.2447  -0.1988831     6.836794  
1 1 1 6   53  13 o 102.909 2.8908  5740.88    322.216  5895.35    666.491  5693.77    368.090  103.952 5.9443  102.470 3.3165  1.481544       6.806893  
1 1 1 6   53  14 o 146.855 3.7687  11702.73   599.453  12265.11   1045.68  11427.45   731.602  150.054 6.4340  145.040 4.6571  5.013474       7.942605  
1 1 1 6   53  15 o 116.017 3.4777  7304.83    437.008  6952.67    763.507  7476.41    532.939  112.744 6.2773  117.315 4.1942  -4.570770      7.549574  
1 1 1 6   53  16 o 64.073  2.3204  2225.89    161.033  1967.57    426.748  2268.78    173.889  59.611  6.7272  64.682  2.4821  -5.070320      7.170538  
1 1 1 6   53  17 o 69.825  2.8927  2646.60    218.769  2867.24    453.384  2579.64    249.770  72.185  5.8492  68.909  3.3465  3.276482       6.738896  
1 1 1 6   53  18 o 98.396  3.0720  5260.50    327.391  4415.40    702.802  5494.72    369.988  89.171  7.3420  100.525 3.3981  -11.35402      8.090279  
1 1 1 6   53  19 o 89.406  2.8311  4343.38    274.154  4032.77    648.829  4410.89    302.483  85.125  7.1021  90.068  3.1007  -4.943298      7.749442  
1 1 1 6   53  20 o 91.638  3.0825  4568.89    305.952  4126.41    662.238  4688.96    344.974  85.932  7.1810  92.782  3.4328  -6.850075      7.959352  
1 1 1 6   53  21 o 20.141  7.0199  204.264    188.027  263.312    423.004  189.724    209.904  26.197  10.257  20.219  7.3754  5.978226       12.63355  
1 1 1 6   53  22 o 51.077  3.9512  1436.19    216.885  1219.37    474.832  1493.36    243.803  45.157  9.9744  51.997  4.3696  -6.839203      10.88956  
1 1 1 6   53  23 f 28.826  6.4023  482.293    194.687  938.221    430.616  365.156    218.268  39.279  10.073  25.160  7.4686  14.11841       12.54014  
1 1 1 6   53  24 o 61.490  3.6147  2080.73    239.684  1473.38    596.471  2197.69    261.746  48.264  11.562  63.135  3.8460  -14.87183      12.18517  
1 1 1 6   53  25 o 86.419  3.2587  4092.70    305.017  4054.87    635.948  4104.00    347.609  83.967  7.0582  86.386  3.7152  -2.419525      7.976236  
1 1 1 6   53  26 o 77.003  3.4921  3266.91    291.247  3007.25    594.125  3349.04    334.152  71.153  7.8393  77.670  3.9855  -6.517075      8.794292  
1 1 1 6   53  27 o 70.891  3.8451  2809.64    294.127  2789.09    572.564  2817.00    342.817  67.273  8.0159  70.573  4.5084  -3.300560      9.196765  
1 1 1 6   53  28 o 89.133  5.1599  4593.69    496.011  0.0000     0.0000   4593.69    496.011  ?       ?       89.133  5.1599  0.000000       5.159916  
1 1 1 6   53  29 o 16.702  7.7059  -127.3003  324.759  0.0000     0.0000   -127.3003  324.759  ?       ?       16.702  7.7059  0.000000       7.705883  
1 1 1 6   53  30 o 22.813  9.6198  272.523    406.480  0.0000     0.0000   272.523    406.480  ?       ?       22.813  9.6198  0.000000       9.619832  
1 1 1 6   53  31 o 20.593  8.9493  161.882    371.705  0.0000     0.0000   161.882    371.705  ?       ?       20.593  8.9493  0.000000       8.949322  
1 1 1 6   54  0  o 168.824 3.4930  15446.17   638.718  14992.63   903.754  15898.76   902.813  166.264 5.0186  171.222 4.8682  -4.958084      6.991815  
1 1 1 6   54  1  o 569.838 9.5289  176793.09  5881.17  179351.50  8318.09  174235.80  8316.38  572.450 13.416  564.140 13.611  8.309875       19.11104  
1 1 1 6   54  2  o 620.996 11.185  210407.20  7523.11  213243.41  11690.81 208402.59  9828.47  621.920 17.356  616.354 14.723  5.565979       22.75904  
1 1 1 6   54  3  o 543.205 9.1934  160620.91  5408.90  160888.00  7650.06  160353.91  7648.60  542.256 13.025  541.347 13.045  0.9091187      18.43437  
1 1 1 6   54  4  o 318.917 5.5777  55187.14   1926.66  57779.57   2725.82  52598.96   2723.59  326.032 7.7191  311.016 8.0852  15.01547       11.17829  
1 1 1 6   54  5  o 260.362 4.5989  36761.14   1296.90  37446.93   1834.81  36076.43   1833.37  262.606 6.4508  257.743 6.5674  4.862915       9.205642  
1 1 1 6   54  6  o 153.292 3.2503  12734.60   539.654  12833.90   762.114  12634.75   764.262  153.835 4.5740  152.635 4.6230  1.200546       6.503304  
1 1 1 6   54  7  o 136.846 3.1008  10148.37   459.595  9927.01    653.692  10364.76   646.302  135.297 4.4608  138.254 4.3161  -2.957047      6.207026  
1 1 1 6   54  8  o 247.007 4.5182  33091.29   1208.77  33441.50   1712.92  32743.90   1706.01  248.125 6.3738  245.518 6.4155  2.606461       9.043387  
1 1 1 6   54  9  o 428.967 7.7418  100130.00  3596.94  102772.40  4714.45  96449.36   5564.20  433.888 10.032  419.508 12.246  14.37921       15.83042  
1 1 1 6   54  10 o 43.857  3.9581  1051.52    185.989  549.914    375.145  1215.00    214.163  31.809  9.8641  47.139  4.2400  -15.32990      10.73679  
1 1 1 6   54  11 o 73.297  2.8316  2911.69    224.797  2742.24    488.443  2957.23    253.208  70.731  6.4466  73.861  3.1651  -3.130386      7.181686  
1 1 1 6   54  12 o 261.434 4.6760  37102.07   1324.05  39501.77   2658.64  36310.58   1526.87  268.858 9.1299  258.520 5.4531  10.33868       10.63440  
1 1 1 6   54  13 o 85.938  2.9019  4003.85    270.109  3546.96    555.932  4145.04    309.038  80.466  6.4326  87.428  3.2635  -6.962395      7.213112  
1 1 1 6   54  14 o 123.692 3.6214  8302.30    485.166  7681.42    834.320  8619.52    596.364  118.535 6.5237  125.976 4.3707  -7.441116      7.852502  
1 1 1 6   54  15 o 118.916 3.4980  7676.21    450.541  6985.72    782.671  8018.41    550.987  112.949 6.4243  121.476 4.1877  -8.527466      7.668692  
1 1 1 6   54  16 o 177.659 3.6085  17146.48   694.360  17739.74   1395.59  16951.31   800.469  179.883 7.1630  176.550 4.1861  3.332535       8.296532  
1 1 1 6   54  17 o 184.119 3.7077  18435.04   739.382  19257.21   1513.57  18177.34   847.367  186.995 7.4731  182.701 4.2821  4.294296       8.613029  
1 1 1 6   54  18 o 153.819 3.5236  12872.06   587.040  11929.85   1171.05  13188.31   678.442  146.774 7.3901  155.589 4.0259  -8.814865      8.415528  
1 1 1 6   54  19 o 79.539  3.2200  3441.48    277.399  3106.54    598.575  3533.08    313.045  74.484  7.5228  80.548  3.5883  -6.063911      8.334736  
1 1 1 6   54  20 o 110.535 2.9975  6647.31    358.856  6673.13    778.014  6640.33    404.449  109.602 6.5844  110.407 3.3822  -0.8049469     7.402277  
1 1 1 6   54  21 o 81.096  3.2490  3584.20    285.375  3598.54    603.784  3580.07    323.829  80.051  7.0352  80.975  3.6923  -0.9235840     7.945210  
1 1 1 6   54  22 o 65.723  3.4530  2365.56    244.943  2807.68    532.211  2246.75    275.900  70.439  7.0714  63.923  4.0052  6.515663       8.126837  
1 1 1 6   54  23 f 66.358  3.4850  2415.90    249.597  2454.75    531.407  2404.91    282.724  65.328  7.6554  66.080  3.9686  -0.7517624     8.622943  
1 1 1 6   54  24 o 82.216  3.2092  3698.93    285.779  3856.42    615.879  3655.72    322.613  82.120  6.9908  81.611  3.6497  0.5090179      7.886217  
1 1 1 6   54  25 o 69.098  3.4864  2628.76    260.084  2712.61    552.869  2604.93    294.733  68.166  7.6186  68.613  3.9831  -0.4470367     8.597036  
1 1 1 6   54  26 o 80.732  3.5219  3596.26    307.961  3170.86    610.783  3741.27    356.609  72.864  7.8641  82.118  4.0094  -9.254784      8.827175  
1 1 1 6   54  27 o 67.730  3.1954  2538.45    234.408  0.0000     0.0000   2538.45    234.408  ?       ?       67.730  3.1954  0.000000       3.195381  
1 1 1 6   54  28 o 55.310  6.5200  1847.43    383.083  0.0000     0.0000   1847.43    383.083  ?       ?       55.310  6.5200  0.000000       6.519959  
1 1 1 6   54  29 o 39.182  9.1878  1061.33    383.155  0.0000     0.0000   1061.33    383.155  ?       ?       39.182  9.1878  0.000000       9.187831  
1 1 1 6   54  30 o 16.890  7.7442  -76.4498   321.031  0.0000     0.0000   -76.4498   321.031  ?       ?       16.890  7.7442  0.000000       7.744221  
1 1 1 6   54  31 o 20.730  8.9533  176.108    367.437  0.0000     0.0000   176.108    367.437  ?       ?       20.730  8.9533  0.000000       8.953284  
1 1 1 6   55  0  o 80.752  2.4260  3532.65    212.183  3754.34    277.276  3219.38    329.608  83.238  3.0755  76.963  3.9676  6.274948       5.020008  
1 1 1 6   55  1  o 202.318 3.7607  22186.20   824.087  21898.29   1163.02  22476.52   1167.87  200.913 5.3445  203.552 5.2972  -2.638443      7.524915  
1 1 1 6   55  2  o 255.815 4.4233  35482.55   1225.58  36238.60   1733.93  34727.71   1732.54  258.377 6.1960  252.921 6.3245  5.456070       8.853798  
1 1 1 6   55  3  o 194.902 4.0067  20592.59   845.821  20998.81   1272.72  20271.25   1131.96  196.694 5.9741  193.296 5.4068  3.398453       8.057482  
1 1 1 6   55  4  o 310.385 5.4200  52271.25   1822.09  53608.96   2578.02  50936.02   2575.63  314.048 7.5791  306.091 7.7690  7.957886       10.85356  
1 1 1 6   55  5  f 177.435 3.5032  17063.73   673.255  17291.66   952.934  16836.58   951.322  178.545 4.9277  176.177 4.9855  2.368469       7.009805  
1 1 1 6   55  6  o 357.032 6.6486  69241.69   2571.03  69874.33   3966.78  68783.41   3376.18  357.921 10.233  355.452 8.7695  2.468811       13.47621  
1 1 1 6   55  7  o 217.703 4.1615  25698.94   981.251  25880.60   1389.52  25518.23   1385.88  218.336 5.8758  216.799 5.9020  1.536255       8.328212  
1 1 1 6   55  8  o 204.080 4.1281  22584.63   912.474  21971.68   1379.93  23060.89   1216.36  201.112 6.3350  206.120 5.4484  -5.007721      8.355718  
1 1 1 6   55  9  f 202.153 3.9346  22159.82   861.500  21543.71   1225.12  22762.50   1211.69  199.183 5.6788  204.760 5.4635  -5.577286      7.880287  
1 1 1 6   55  10 o 140.372 3.6629  10683.83   556.893  10456.23   983.806  10791.14   675.543  138.685 6.5495  141.036 4.4223  -2.351303      7.902730  
1 1 1 6   55  11 o 91.505  2.8294  4538.20    280.424  4101.67    595.928  4662.35    317.810  86.615  6.3976  92.739  3.1640  -6.123749      7.137194  
1 1 1 6   55  12 o 259.589 4.7442  36588.23   1333.89  34437.36   2676.37  37299.08   1538.60  250.767 9.8539  261.994 5.4221  -11.22748      11.24709  
1 1 1 6   55  13 o 249.389 4.5764  33778.37   1236.16  33966.95   2480.57  33716.07   1425.82  249.005 9.1976  249.040 5.2860  -0.3549194E-01 10.60836  
1 1 1 6   55  14 o 136.135 3.6482  10058.85   537.916  9807.89    942.549  10180.07   655.071  134.103 6.4893  136.882 4.4185  -2.778412      7.850692  
1 1 1 6   55  15 o 115.457 3.4567  7237.15    432.274  7708.57    756.323  7008.45    526.797  118.879 5.8740  113.543 4.2837  5.336342       7.270029  
1 1 1 6   55  16 o 168.140 3.5243  15360.15   641.818  13970.73   1291.58  15815.75   739.599  159.451 7.4786  170.535 4.0042  -11.08392      8.483116  
1 1 1 6   55  17 f 69.598  3.0620  2631.26    230.819  2519.83    540.906  2656.07    255.223  67.189  7.5644  69.903  3.3710  -2.714493      8.281562  
1 1 1 6   55  18 o 162.647 3.4819  14393.88   613.381  14808.63   1255.15  14263.75   703.051  163.775 7.0758  161.786 4.0121  1.989136       8.134155  
1 1 1 6   55  19 o 153.082 3.3983  12757.04   563.454  13283.08   1152.19  12591.70   645.965  154.973 6.8643  151.955 3.9248  3.017380       7.907166  
1 1 1 6   55  20 o 70.380  3.3040  2698.42    251.865  2524.78    556.843  2743.08    282.404  66.761  7.8508  70.814  3.6948  -4.053032      8.676793  
1 1 1 6   55  21 o 20.766  1.7425  235.617    38.830   567.414    437.133  232.978    38.984   31.865  10.715  20.647  1.7601  11.21859       10.85870  
1 1 1 6   55  22 o 58.027  2.4141  1831.40    151.722  1861.01    509.340  1828.51    158.937  56.557  8.5846  57.969  2.5314  -1.412186      8.950011  
1 1 1 6   55  23 o 48.652  1.9528  1286.17    102.900  667.304    473.555  1316.83    105.419  33.565  11.151  49.226  1.9772  -15.66109      11.32459  
1 1 1 6   55  24 o 111.383 3.0559  6783.77    368.664  7785.19    789.813  6504.80    416.863  117.407 6.2333  108.892 3.5345  8.514633       7.165673  
1 1 1 6   55  25 o 52.087  2.3468  1479.23    132.397  1435.92    494.497  1482.58    137.414  48.064  9.8304  52.133  2.4336  -4.068966      10.12714  
1 1 1 6   55  26 o 35.625  6.2659  749.115    232.947  923.422    464.706  690.615    269.214  37.120  10.865  33.585  7.5807  3.535751       13.24830  
1 1 1 6   55  27 o 19.426  7.8990  146.003    260.532  0.0000     0.0000   146.003    260.532  ?       ?       19.426  7.8990  0.000000       7.899038  
1 1 1 6   55  28 o 55.832  6.3968  1879.07    379.844  0.0000     0.0000   1879.07    379.844  ?       ?       55.832  6.3968  0.000000       6.396792  
1 1 1 6   55  29 o 27.700  9.6836  542.370    357.929  0.0000     0.0000   542.370    357.929  ?       ?       27.700  9.6836  0.000000       9.683608  
1 1 1 6   55  30 o 17.625  8.0669  -57.1495   346.242  0.0000     0.0000   -57.1495   346.242  ?       ?       17.625  8.0669  0.000000       8.066891  
1 1 1 6   56  0  o 89.326  2.7941  4323.18    270.323  4099.61    384.827  4540.96    379.813  86.961  4.0857  91.528  3.8313  -4.567078      5.601056  
1 1 1 6   56  1  o 224.988 4.1989  27443.36   1023.22  27816.70   1447.70  27070.70   1446.40  226.391 5.9040  223.328 5.9796  3.062637       8.403208  
1 1 1 6   56  2  o 337.477 6.2946  61832.73   2300.81  60861.54   3544.71  62539.79   3024.53  334.222 9.7921  339.099 8.2350  -4.876953      12.79453  
1 1 1 6   56  3  o 322.053 5.6137  56283.22   1958.16  57120.73   2770.09  55446.71   2768.42  324.120 7.8908  319.316 8.0046  4.803314       11.24003  
1 1 1 6   56  4  o 216.341 4.1568  25375.48   974.014  25401.26   1377.86  25349.74   1377.07  216.327 5.8806  216.107 5.8832  0.2197571      8.318301  
1 1 1 6   56  5  o 222.433 4.1013  26824.76   988.077  27299.91   1398.14  26350.69   1396.57  224.271 5.7558  220.329 5.8522  3.941803       8.208405  
1 1 1 6   56  6  o 182.827 3.6315  18118.86   719.103  18145.84   1018.22  18092.01   1015.71  182.877 5.1406  182.606 5.1355  0.2711029      7.266329  
1 1 1 6   56  7  o 308.876 5.3963  51780.20   1805.32  52787.02   2554.58  50775.70   2551.64  311.533 7.5709  305.516 7.7111  6.017365       10.80640  
1 1 1 6   56  8  o 327.626 5.7442  58285.47   2038.37  57214.25   2884.96  59353.32   2880.42  324.149 8.2172  330.188 8.0542  -6.039246      11.50624  
1 1 1 6   56  9  o 167.496 3.4573  15209.02   627.203  15378.70   897.257  15046.88   877.083  168.338 4.9211  166.516 4.8631  1.821915       6.918625  
1 1 1 6   56  10 o 77.875  2.7961  3286.72    235.840  3169.10    346.664  3388.06    321.780  76.318  4.2101  79.043  3.7586  -2.725433      5.643783  
1 1 1 6   56  11 o 85.552  2.5494  3966.44    236.227  5145.69    554.200  3704.62    261.137  97.188  5.2847  82.671  2.9164  14.51695       6.036008  
1 1 1 6   56  12 o 160.333 3.3779  13941.22   586.597  14655.00   1191.75  13713.00   673.882  164.044 6.7074  158.976 3.9136  5.067322       7.765693  
1 1 1 6   56  13 o 107.273 2.9159  6239.85    338.794  5342.22    698.622  6515.86    387.395  98.791  6.5665  109.603 3.2633  -10.81225      7.332730  
1 1 1 6   56  14 f 38.224  4.7393  806.564    192.004  657.656    343.796  874.062    231.465  34.009  9.1381  39.686  5.5356  -5.677708      10.68397  
1 1 1 6   56  15 o 50.591  3.8812  1398.89    211.048  1277.13    376.846  1454.53    254.745  47.695  7.5461  51.497  4.6162  -3.802715      8.846058  
1 1 1 6   56  16 o 98.097  2.8564  5223.45    303.491  4905.03    621.845  5323.01    347.715  94.481  6.1094  98.995  3.2429  -4.513618      6.916736  
1 1 1 6   56  17 o 77.317  2.4951  3244.35    208.949  3048.40    547.581  3277.74    226.054  74.115  6.9007  77.701  2.6861  -3.586227      7.405035  
1 1 1 6   56  18 f 67.388  3.2728  2469.97    238.875  2458.42    545.905  2472.71    265.658  66.152  7.7669  67.291  3.6587  -1.139000      8.585477  
1 1 1 6   56  19 o 173.698 3.7677  16449.22   708.828  16726.78   1383.40  16350.41   825.411  173.531 7.3604  172.963 4.4060  0.5679169      8.578340  
1 1 1 6   56  20 o 89.234  3.0918  4335.32    298.826  4121.48    651.616  4392.26    336.270  85.776  7.0770  89.758  3.4590  -3.982201      7.877112  
1 1 1 6   56  21 o 125.539 3.1732  8590.75    431.461  8706.71    891.916  8555.33    492.981  124.872 6.6182  125.153 3.6368  -0.2810516     7.551647  
1 1 1 6   56  22 o 65.506  3.4734  2352.02    245.553  3074.77    542.606  2165.89    275.363  73.722  6.8747  62.709  4.0763  11.01297       7.992398  
1 1 1 6   56  23 o 55.764  3.7210  1712.66    223.450  1955.32    510.497  1655.15    248.522  57.766  8.4058  54.682  4.2290  3.083923       9.409620  
1 1 1 6   56  24 o 22.279  7.0767  281.220    191.923  138.458    436.436  315.446    213.695  23.957  10.027  23.510  7.4672  0.4466248      12.50232  
1 1 1 6   56  25 o 71.161  3.7675  2800.18    289.346  1874.90    563.493  3131.50    337.195  54.947  9.8292  75.096  4.1619  -20.14915      10.67405  
1 1 1 6   56  26 o 64.916  3.8962  2351.23    272.675  1851.10    544.627  2518.52    314.998  53.665  9.7282  66.943  4.3684  -13.27848      10.66401  
1 1 1 6   56  27 f 64.839  5.6204  2454.48    390.807  0.0000     0.0000   2454.48    390.807  ?       ?       64.839  5.6204  0.000000       5.620437  
1 1 1 6   56  28 o 39.726  8.2799  1030.33    344.713  0.0000     0.0000   1030.33    344.713  ?       ?       39.726  8.2799  0.000000       8.279940  
1 1 1 6   56  29 f 24.516  9.6878  377.178    380.499  0.0000     0.0000   377.178    380.499  ?       ?       24.516  9.6878  0.000000       9.687819  
1 1 1 6   56  30 o 15.669  7.4266  -234.4095  337.434  0.0000     0.0000   -234.4095  337.434  ?       ?       15.669  7.4266  0.000000       7.426597  
1 1 1 6   57  0  o 170.795 3.4691  15809.81   641.739  16107.78   909.195  15513.99   905.925  172.333 4.8710  169.123 4.9456  3.210205       6.941595  
1 1 1 6   57  1  o 295.850 5.6434  47497.84   1808.37  47190.36   2777.14  47724.19   2382.75  294.475 8.7072  296.333 7.4238  -1.857544      11.44242  
1 1 1 6   57  2  o 218.587 4.1221  25904.15   975.921  25129.62   1380.80  26677.24   1379.52  215.167 5.9250  221.709 5.7448  -6.541809      8.252739  
1 1 1 6   57  3  o 450.165 7.5346  110157.50  3673.71  113142.80  5196.55  107174.80  5194.26  455.411 10.535  443.148 10.822  12.26294       15.10312  
1 1 1 6   57  4  o 434.946 7.8383  102878.80  3692.55  101550.70  5716.29  103829.80  4837.21  430.836 12.250  436.311 10.236  -5.474518      15.96354  
1 1 1 6   57  5  o 224.307 4.2145  27281.89   1023.91  27533.00   1448.74  27031.28   1447.30  225.198 5.9396  223.132 5.9886  2.065857       8.434601  
1 1 1 6   57  6  o 84.628  2.6999  3880.63    247.475  4182.13    353.202  3589.88    346.849  87.833  3.7128  81.371  3.9355  6.461632       5.410441  
1 1 1 6   57  7  o 209.441 3.9522  23784.81   896.549  24331.44   1270.10  23241.94   1265.73  211.707 5.5390  206.903 5.6481  4.804123       7.910883  
1 1 1 6   57  8  o 161.963 3.4109  14220.02   598.341  14369.75   851.883  14074.23   840.594  162.733 4.8332  161.051 4.8189  1.681076       6.825105  
1 1 1 6   57  9  o 294.401 5.2133  47053.07   1662.34  46830.82   2354.00  47274.16   2347.82  293.337 7.4092  294.733 7.3547  -1.395935      10.43971  
1 1 1 6   57  10 o 97.491  2.8841  5151.59    304.540  5110.21    447.685  5187.23    415.485  97.050  4.2590  97.793  3.9226  -0.7422562     5.790164  
1 1 1 6   57  11 o 276.777 6.2987  41675.76   1888.23  42678.84   2985.95  41007.34   2437.47  279.163 9.8754  274.113 8.2099  5.050079       12.84237  
1 1 1 6   57  12 o 253.003 4.6108  34764.68   1263.48  35439.68   2538.12  34542.30   1456.82  254.358 9.2129  252.070 5.3360  2.288483       10.64659  
1 1 1 6   57  13 o 123.662 3.5502  8298.61    475.509  7519.50    835.238  8672.22    578.391  117.236 6.6047  126.361 4.2261  -9.125107      7.841039  
1 1 1 6   57  14 o 118.879 4.2965  7681.78    553.206  7533.93    786.285  7826.70    778.476  117.334 6.2092  119.633 6.0272  -2.299728      8.653423  
1 1 1 6   57  15 o 102.433 2.8835  5693.93    319.908  6046.33    654.590  5583.35    366.680  105.075 5.7739  101.398 3.3388  3.677483       6.669731  
1 1 1 6   57  16 o 40.105  1.8628  871.961    80.915   627.120    426.852  881.087    82.409   33.554  10.541  40.314  1.8874  -6.759365      10.70887  
1 1 1 6   57  17 o 149.795 3.3290  12200.85   540.114  12347.18   1101.53  12154.54   619.726  149.739 6.7919  149.413 3.8295  0.3260651      7.797066  
1 1 1 6   57  18 o 34.682  4.8148  669.928    175.984  516.358    433.804  700.180    192.540  31.182  10.673  35.398  5.1747  -4.216496      11.86156  
1 1 1 6   57  19 o 57.067  3.6395  1782.40    223.781  2120.87    509.529  1701.50    249.091  61.185  7.8713  55.661  4.1619  5.524433       8.903839  
1 1 1 6   57  20 o 108.508 3.0083  6409.65    353.557  6129.04    772.622  6483.97    397.633  104.768 6.8464  109.064 3.3661  -4.295975      7.629141  
1 1 1 6   57  21 o 52.955  3.8330  1541.63    218.358  1341.61    500.204  1588.72    242.705  47.391  10.056  53.681  4.2081  -6.289646      10.90118  
1 1 1 6   57  22 o 49.039  4.1293  1329.33    217.285  1314.31    492.986  1332.96    242.066  46.627  10.057  48.984  4.6171  -2.356850      11.06647  
1 1 1 6   57  23 o 65.311  3.5677  2344.76    251.416  2442.07    547.064  2318.70    283.082  64.826  7.9586  64.807  4.0533  0.1959991E-01  8.931308  
1 1 1 6   57  24 o 69.163  3.4975  2631.29    261.148  2832.54    560.047  2575.37    295.207  69.887  7.5170  68.256  4.0107  1.630379       8.520017  
1 1 1 6   57  25 o 74.071  3.5464  3022.67    284.518  2877.31    582.252  3068.27    326.103  69.667  7.8534  74.326  4.0662  -4.659081      8.843642  
1 1 1 6   57  26 o 31.156  2.0041  531.876    67.270   335.488    455.716  536.250    68.015   25.967  10.487  31.282  2.0182  -5.315409      10.67901  
1 1 1 6   57  27 o 24.030  8.9542  338.613    312.192  0.0000     0.0000   338.613    312.192  ?       ?       24.030  8.9542  0.000000       8.954191  
1 1 1 6   57  28 o 24.714  9.1512  383.498    325.062  0.0000     0.0000   383.498    325.062  ?       ?       24.714  9.1512  0.000000       9.151185  
1 1 1 6   57  29 o 33.239  8.8947  771.400    326.520  0.0000     0.0000   771.400    326.520  ?       ?       33.239  8.8947  0.000000       8.894707  
1 1 1 6   57  30 o 27.528  9.2812  550.146    327.976  0.0000     0.0000   550.146    327.976  ?       ?       27.528  9.2812  0.000000       9.281205  
1 1 1 6   58  0  o 202.448 4.1403  22220.52   907.845  22705.31   1371.44  21842.39   1211.21  204.503 6.1917  200.626 5.5739  3.876038       8.330997  
1 1 1 6   58  1  o 79.808  2.8150  3451.08    243.329  3330.16    344.249  3571.82    343.991  78.269  4.0749  81.172  3.9126  -2.903351      5.649233  
1 1 1 6   58  2  o 261.116 5.0472  36987.23   1427.44  37062.94   2181.35  36930.54   1887.74  261.086 7.7139  260.748 6.6842  0.3373718      10.20699  
1 1 1 6   58  3  o 219.814 4.1682  26198.11   992.367  25736.44   1404.46  26658.40   1402.38  217.733 5.9555  221.609 5.8426  -3.875763      8.342896  
1 1 1 6   58  4  o 359.192 6.1886  70060.67   2407.64  71697.03   3405.89  68426.19   3403.94  362.889 8.6654  354.471 8.8661  8.418335       12.39740  
1 1 1 6   58  5  o 166.289 3.4477  14988.25   620.954  15236.68   878.992  14740.75   877.333  167.589 4.8425  164.835 4.9141  2.754211       6.899130  
1 1 1 6   58  6  o 210.858 3.9958  24108.02   912.563  23800.49   1291.80  24414.37   1289.32  209.373 5.6965  212.064 5.6134  -2.690765      7.997458  
1 1 1 6   58  7  o 88.304  2.7334  4225.44    261.431  4248.75    375.536  4203.51    364.165  88.518  3.9170  88.049  3.8186  0.4698257      5.470314  
1 1 1 6   58  8  o 304.930 5.3991  50483.91   1783.18  50703.39   2523.87  50265.16   2519.72  305.203 7.6350  303.877 7.6557  1.325989       10.81216  
1 1 1 6   58  9  o 109.016 2.9299  6441.44    345.954  6220.72    506.832  6633.98    473.384  107.077 4.3702  110.595 3.9519  -3.518242      5.892020  
1 1 1 6   58  10 o 168.657 3.4735  15424.75   634.514  15419.36   905.627  15429.94   889.273  168.513 4.9619  168.579 4.8704  -0.6597900E-01 6.952745  
1 1 1 6   58  11 o 202.339 4.5214  22228.42   990.895  22423.89   1728.82  22132.79   1209.23  202.703 7.8744  201.776 5.5331  0.9271545      9.624039  
1 1 1 6   58  12 o 299.215 5.2851  48684.45   1712.81  48954.98   3434.83  48594.92   1976.02  298.188 10.635  298.734 6.1071  -0.5468750     12.26392  
1 1 1 6   58  13 o 169.563 4.0427  15616.25   742.449  17047.23   1297.47  14919.55   905.320  176.692 6.7797  165.601 5.0474  11.09059       8.452265  
1 1 1 6   58  14 o 15.229  6.1664  52.742     158.027  14.179     297.522  67.897     186.511  19.358  8.2000  16.664  6.7161  2.693199       10.59934  
1 1 1 6   58  15 o 144.084 3.3387  11276.48   521.036  10442.24   1020.40  11570.71   605.992  137.995 6.8271  145.881 3.8353  -7.886520      7.830631  
1 1 1 6   58  16 o 79.974  2.9361  3473.43    254.326  3213.00    573.620  3537.15    283.739  76.102  7.0389  80.679  3.2471  -4.576683      7.751764  
1 1 1 6   58  17 o 44.006  3.8947  1062.96    183.716  789.202    431.406  1123.60    203.048  36.879  10.368  45.207  4.1947  -8.328129      11.18441  
1 1 1 6   58  18 o 53.541  2.1599  1555.64    125.256  1719.00    453.556  1542.16    130.325  55.097  7.8198  53.303  2.2574  1.793316       8.139144  
1 1 1 6   58  19 o 24.797  6.4019  352.826    173.122  882.268    444.486  258.147    187.965  38.606  10.398  21.791  7.0120  16.81435       12.54110  
1 1 1 6   58  20 o 57.487  3.7040  1811.76    229.401  1928.56    512.322  1782.47    256.557  57.932  8.4108  56.921  4.1909  1.010448       9.397117  
1 1 1 6   58  21 o 31.476  1.9328  539.961    65.574   732.279    455.072  535.884    66.265   35.116  10.860  31.353  1.9612  3.762884       11.03576  
1 1 1 6   58  22 o 132.453 3.2945  9587.33    472.635  9827.91    968.690  9512.17    541.458  132.024 6.7973  131.738 3.7947  0.2858276      7.784827  
1 1 1 6   58  23 o 101.868 3.0628  5671.65    337.933  5166.16    733.794  5807.71    380.708  95.056  7.1803  102.968 3.4137  -7.912361      7.950439  
1 1 1 6   58  24 f 62.460  2.5962  2128.97    175.638  1995.90    544.101  2144.45    185.572  57.601  9.0170  62.661  2.7343  -5.059479      9.422477  
1 1 1 6   58  25 o 40.018  2.1481  875.690    92.768   1424.10    479.932  854.404    94.551   47.491  9.6592  39.515  2.2182  7.976330       9.910575  
1 1 1 6   58  26 o 15.413  6.9061  -58.5743   238.049  0.0000     0.0000   -58.5743   238.049  ?       ?       15.413  6.9061  0.000000       6.906061  
1 1 1 6   58  27 o 36.376  8.5379  864.050    330.610  0.0000     0.0000   864.050    330.610  ?       ?       36.376  8.5379  0.000000       8.537851  
1 1 1 6   58  28 o 33.508  9.0089  769.106    334.030  0.0000     0.0000   769.106    334.030  ?       ?       33.508  9.0089  0.000000       9.008925  
1 1 1 6   58  29 o 21.649  8.9234  236.280    338.199  0.0000     0.0000   236.280    338.199  ?       ?       21.649  8.9234  0.000000       8.923435  
1 1 1 6   58  30 o 14.674  7.0700  -344.0945  333.798  0.0000     0.0000   -344.0945  333.798  ?       ?       14.674  7.0700  0.000000       7.069998  
1 1 1 6   59  0  o 198.992 3.7898  21465.36   816.822  21765.70   1156.19  21166.09   1154.14  200.283 5.3298  197.500 5.3953  2.782715       7.583994  
1 1 1 6   59  1  o 84.537  2.8342  3872.36    259.504  3658.47    367.167  4085.85    366.821  82.039  4.1456  86.815  3.9011  -4.775909      5.692500  
1 1 1 6   59  2  o 175.933 3.5829  16777.37   682.735  16956.09   966.250  16599.17   964.816  176.789 5.0462  174.915 5.0927  1.873444       7.169344  
1 1 1 6   59  3  o 189.652 3.7280  19497.89   765.780  19992.89   1084.56  19005.78   1081.40  191.952 5.2166  187.145 5.3351  4.807037       7.461645  
1 1 1 6   59  4  o 175.133 3.5755  16626.16   678.237  16245.91   960.418  17004.44   957.930  173.032 5.1246  177.034 4.9958  -4.002029      7.156836  
1 1 1 6   59  5  o 129.412 3.0766  9076.32    431.231  8794.46    611.576  9355.03    608.144  127.336 4.4343  131.339 4.2751  -4.002716      6.159528  
1 1 1 6   59  6  o 254.603 4.6213  35166.43   1274.39  34618.36   1802.53  35714.16   1801.97  252.382 6.5941  256.359 6.4898  -3.977615      9.251975  
1 1 1 6   59  7  o 122.247 2.9732  8099.25    393.676  8098.92    559.958  8099.58    553.580  122.197 4.2308  122.204 4.1824  -0.7087708E-02 5.949159  
1 1 1 6   59  8  o 124.379 2.9772  8384.85    401.069  8589.83    574.115  8189.46    560.523  125.838 4.2123  122.870 4.2119  2.967606       5.956805  
1 1 1 6   59  9  o 46.830  3.2585  1194.73    164.248  1145.52    272.508  1222.81    205.838  45.572  5.6414  47.304  4.0567  -1.731911      6.948559  
1 1 1 6   59  10 o 153.003 3.3377  12694.19   553.122  12402.01   791.751  12972.72   773.049  151.123 4.8371  154.580 4.6173  -3.456802      6.687065  
1 1 1 6   59  11 o 244.961 5.1981  32616.06   1379.15  33451.14   2392.29  32200.36   1687.86  247.193 8.9353  243.163 6.4087  4.029144       10.99593  
1 1 1 6   59  12 o 80.766  2.5628  3536.40    224.189  2993.91    528.782  3655.28    247.538  73.789  6.6890  82.104  2.7836  -8.315613      7.245086  
1 1 1 6   59  13 o 249.996 5.3152  34034.18   1439.22  31399.10   2499.83  35340.65   1760.20  238.602 9.6731  254.437 6.3872  -15.83467      11.59164  
1 1 1 6   59  14 o 217.747 5.1581  25840.79   1216.49  24626.82   1946.66  26618.62   1558.22  211.424 8.5009  220.582 6.5221  -9.157684      10.71464  
1 1 1 6   59  15 o 202.120 4.1134  22233.52   900.488  22177.31   1710.68  22255.06   1059.09  200.550 7.8755  202.027 4.8401  -1.476639      9.243918  
1 1 1 6   59  16 o 31.644  4.9328  559.545    163.556  158.986    413.862  633.682    178.050  24.646  9.9793  33.699  5.0323  -9.053198      11.17634  
1 1 1 6   59  17 o 95.129  2.9461  4917.73    303.547  5096.63    650.968  4868.02    343.136  96.059  6.2915  94.599  3.3490  1.460381       7.127323  
1 1 1 6   59  18 o 184.507 3.6460  18550.19   728.621  18287.01   1476.52  18634.91   837.725  181.388 7.5155  184.747 4.1865  -3.358810      8.602936  
1 1 1 6   59  19 o 137.518 3.3120  10302.45   493.314  9586.71    1002.38  10531.22   566.693  131.100 7.0856  138.916 3.7664  -7.816925      8.024407  
1 1 1 6   59  20 o 40.797  4.7189  925.549    204.663  1325.16    469.467  831.781    227.411  47.421  9.4719  38.429  5.6306  8.991600       11.01913  
1 1 1 6   59  21 o 90.746  3.1624  4492.75    310.825  4573.06    668.865  4470.63    351.030  90.070  6.9089  90.427  3.5841  -0.3566666     7.783231  
1 1 1 6   59  22 f 107.246 3.2021  6284.21    371.945  6067.64    774.072  6349.22    424.114  103.500 6.9454  107.661 3.6371  -4.161369      7.840063  
1 1 1 6   59  23 o 85.426  3.3973  3997.96    314.339  3645.66    644.375  4107.98    360.091  79.486  7.5764  86.454  3.8455  -6.967873      8.496506  
1 1 1 6   59  24 o 80.373  3.4045  3547.30    296.369  3378.54    618.862  3597.52    337.598  76.068  7.6136  80.782  3.8585  -4.713364      8.535537  
1 1 1 6   59  25 o 62.136  3.8681  2149.04    259.034  1835.83    548.526  2238.93    293.865  53.712  9.7895  63.220  4.3175  -9.507622      10.69929  
1 1 1 6   59  26 o 42.679  5.8995  1074.51    265.422  0.0000     0.0000   1074.51    265.422  ?       ?       42.679  5.8995  0.000000       5.899539  
1 1 1 6   59  27 o 53.640  5.5874  1688.81    319.847  0.0000     0.0000   1688.81    319.847  ?       ?       53.640  5.5874  0.000000       5.587367  
1 1 1 6   59  28 o 38.672  8.2434  986.516    334.726  0.0000     0.0000   986.516    334.726  ?       ?       38.672  8.2434  0.000000       8.243409  
1 1 1 6   59  29 o 22.459  9.0463  287.920    338.171  0.0000     0.0000   287.920    338.171  ?       ?       22.459  9.0463  0.000000       9.046320  
1 1 1 6   60  0  o 336.229 5.7822  61369.41   2105.72  63189.29   2979.31  59552.88   2976.56  340.791 8.0716  330.794 8.3078  9.996918       11.58318  
1 1 1 6   60  1  o 493.334 8.1935  132443.80  4378.02  136340.41  6192.85  128550.80  6190.06  499.386 11.449  484.773 11.789  14.61328       16.43398  
1 1 1 6   60  2  o 403.594 7.3293  88562.41   3203.91  85936.45   4953.43  90451.20   4201.00  396.410 11.537  407.322 9.5224  -10.91205      14.95918  
1 1 1 6   60  3  o 164.099 3.4549  14596.36   614.053  14393.52   867.271  14800.26   869.538  162.879 4.9161  165.168 4.8606  -2.288681      6.913284  
1 1 1 6   60  4  o 206.719 3.9765  23170.89   890.325  23928.86   1260.81  22416.98   1257.42  209.949 5.5445  203.193 5.7135  6.755951       7.961518  
1 1 1 6   60  5  o 150.166 3.3408  12223.10   543.366  12111.13   796.683  12320.49   742.994  149.397 4.9235  150.705 4.5519  -1.307373      6.705230  
1 1 1 6   60  6  o 75.881  2.8545  3120.40    234.600  2945.65    330.417  3298.06    333.148  73.580  4.1631  77.886  3.9623  -4.306030      5.747262  
1 1 1 6   60  7  o 66.572  2.8498  2401.89    205.481  2320.02    295.054  2479.00    286.331  65.265  4.1962  67.495  3.9338  -2.230156      5.751774  
1 1 1 6   60  8  o 141.352 3.2535  10831.98   498.109  10669.81   732.570  10971.41   679.306  140.200 4.8243  142.195 4.4107  -1.995041      6.536671  
1 1 1 6   60  9  o 248.026 4.8039  33400.50   1290.52  33729.63   1713.40  32969.01   1961.85  249.005 6.3530  245.991 7.3634  3.013321       9.725249  
1 1 1 6   60  10 o 244.990 4.5209  32588.70   1199.61  32216.74   1701.37  32956.44   1691.68  243.258 6.4574  246.057 6.3476  -2.798767      9.054900  
1 1 1 6   60  11 o 52.933  3.5369  1526.97    201.608  1180.91    407.214  1639.33    232.042  45.732  8.5351  54.816  3.9345  -9.083660      9.398312  
1 1 1 6   60  12 o 151.449 3.2951  12445.74   540.516  12277.85   1097.71  12499.47   621.019  149.957 6.7585  151.729 3.7789  -1.772339      7.743251  
1 1 1 6   60  13 o 209.816 4.8885  23962.93   1110.92  24566.63   1784.06  23580.60   1419.77  211.616 7.7838  207.784 6.3087  3.832397       10.01929  
1 1 1 6   60  14 o 269.383 6.1289  39685.13   1788.22  38296.28   2827.99  40610.41   2308.27  262.550 9.9448  271.663 7.8449  -9.113220      12.66653  
1 1 1 6   60  15 f 82.760  2.9368  3719.28    263.253  3966.18    592.245  3658.49    293.882  84.779  6.4993  82.051  3.3069  2.727356       7.292175  
1 1 1 6   60  16 o 128.705 3.1387  9003.20    437.544  8618.37    900.596  9122.10    500.594  124.964 6.6780  129.484 3.5694  -4.519402      7.572128  
1 1 1 6   60  17 o 144.232 3.3798  11319.54   527.989  10734.55   1055.05  11515.00   609.848  139.198 7.0206  145.363 3.8734  -6.165558      8.018213  
1 1 1 6   60  18 o 153.925 3.3279  12901.19   554.821  13159.84   1135.84  12820.14   635.839  154.130 6.8039  153.305 3.8293  0.8251038      7.807485  
1 1 1 6   60  19 o 48.725  1.9319  1288.40    101.952  711.860    441.776  1320.83    104.781  34.937  10.683  49.333  1.9610  -14.39571      10.86151  
1 1 1 6   60  20 o 100.123 3.1347  5463.98    339.943  4773.88    724.025  5659.12    385.020  92.016  7.3254  101.816 3.4914  -9.800377      8.114889  
1 1 1 6   60  21 o 125.731 3.2395  8631.08    441.158  8915.70    909.932  8543.62    504.405  125.968 6.6933  124.928 3.7278  1.039864       7.661353  
1 1 1 6   60  22 o 59.521  4.5539  1965.50    291.355  2017.36    621.422  1950.88    329.858  57.657  10.330  59.084  5.2078  -1.426510      11.56877  
1 1 1 6   60  23 o 65.863  3.6805  2388.92    261.500  2164.66    556.829  2452.38    296.194  60.412  8.7659  66.593  4.1269  -6.180824      9.688750  
1 1 1 6   60  24 o 23.290  7.1238  316.478    196.424  61.295     458.198  373.932    217.414  23.133  9.9946  25.126  7.4530  -1.992825      12.46748  
1 1 1 6   60  25 o 20.669  7.2096  236.467    198.351  286.315    463.072  225.267    219.507  25.585  10.481  20.688  7.5429  4.896856       12.91340  
1 1 1 6   60  26 o 60.909  5.7448  2166.99    374.510  0.0000     0.0000   2166.99    374.510  ?       ?       60.909  5.7448  0.000000       5.744786  
1 1 1 6   60  27 o 37.070  7.9791  883.849    310.878  0.0000     0.0000   883.849    310.878  ?       ?       37.070  7.9791  0.000000       7.979084  
1 1 1 6   60  28 o 16.624  7.5015  -47.7593   286.509  0.0000     0.0000   -47.7593   286.509  ?       ?       16.624  7.5015  0.000000       7.501523  
1 1 1 6   60  29 o 35.224  9.6107  906.077    376.856  0.0000     0.0000   906.077    376.856  ?       ?       35.224  9.6107  0.000000       9.610653  
1 1 1 6   61  0  o 269.166 4.9184  39307.50   1433.89  38721.75   2028.09  39892.95   2027.56  266.900 7.0157  270.922 6.9097  -4.021454      9.846998  
1 1 1 6   61  1  o 196.172 3.7973  20863.77   806.836  20594.50   1141.87  21132.26   1140.21  194.791 5.4122  197.324 5.3350  -2.533005      7.599647  
1 1 1 6   61  2  o 300.746 5.2809  49089.37   1720.20  48332.78   2433.50  49845.01   2431.96  298.083 7.5374  302.732 7.4170  -4.648499      10.57472  
1 1 1 6   61  3  o 168.268 3.4625  15348.29   631.042  15638.51   893.630  15059.63   891.231  169.773 4.8598  166.596 4.9392  3.176987       6.929154  
1 1 1 6   61  4  o 355.825 6.0439  68771.48   2329.30  72423.07   3295.91  65127.80   3292.34  364.657 8.3449  345.696 8.7931  18.96155       12.12251  
1 1 1 6   61  5  o 340.357 5.8307  62916.58   2149.43  63250.34   3040.86  62583.30   3038.64  340.768 8.2389  338.958 8.2768  1.810638       11.67837  
1 1 1 6   61  6  o 198.235 3.8019  21309.48   816.309  22388.91   1156.61  20238.14   1152.27  203.071 5.2586  193.047 5.5109  10.02402       7.617252  
1 1 1 6   61  7  o 51.023  3.0677  1416.26    168.745  1370.18    239.998  1461.32    237.309  50.052  4.4742  51.723  4.2743  -1.671574      6.187769  
1 1 1 6   61  8  o 219.064 4.1506  26037.05   984.820  25707.67   1395.85  26363.53   1389.66  217.464 5.9263  220.234 5.8258  -2.770569      8.310257  
1 1 1 6   61  9  o 61.833  3.0283  2072.83    202.811  2057.36    311.356  2084.23    267.295  61.373  4.7201  61.847  4.0119  -0.4744072     6.194749  
1 1 1 6   61  10 o 225.632 4.2443  27639.69   1037.24  27255.26   1472.85  28017.94   1460.97  223.762 6.0772  226.896 5.9449  -3.134262      8.501391  
1 1 1 6   61  11 o 207.863 4.5690  23479.83   1028.65  25098.57   1796.16  22689.81   1254.80  214.219 7.7414  204.145 5.6750  10.07378       9.598669  
1 1 1 6   61  12 o 147.717 3.7868  11850.04   605.859  12199.15   1058.98  11680.16   738.695  149.462 6.5417  146.549 4.6538  2.912323       8.028188  
1 1 1 6   61  13 o 89.779  4.1468  4382.80    403.240  3765.37    577.500  4970.24    563.299  82.725  6.4976  95.309  5.4799  -12.58378      8.499878  
1 1 1 6   61  14 o 62.984  3.5280  2162.62    239.702  2030.49    433.565  2220.78    287.663  60.484  6.7325  63.742  4.1900  -3.258373      7.929833  
1 1 1 6   61  15 f 130.740 3.1269  9286.94    442.785  9196.03    918.899  9314.43    505.320  129.218 6.5875  130.870 3.5650  -1.651764      7.490241  
1 1 1 6   61  16 o 126.732 3.1396  8730.64    430.949  9039.28    888.966  8635.82    492.717  128.194 6.4025  125.965 3.6114  2.228447       7.350788  
1 1 1 6   61  17 o 150.385 3.3168  12306.98   540.246  13221.59   1103.62  12018.74   619.555  154.779 6.5832  148.489 3.8523  6.290680       7.627453  
1 1 1 6   61  18 o 64.068  3.1729  2234.44    220.173  2509.93    502.227  2168.89    244.967  66.890  7.0378  62.973  3.6066  3.917023       7.908061  
1 1 1 6   61  19 o 79.394  3.0285  3431.94    260.430  2815.19    566.505  3597.21    293.254  70.578  7.5269  81.237  3.3329  -10.65893      8.231795  
1 1 1 6   61  20 o 96.580  2.8416  5079.49    297.247  4984.33    686.481  5101.44    329.764  94.240  6.7706  96.727  3.1476  -2.487785      7.466528  
1 1 1 6   61  21 o 37.541  1.1291  764.006    45.910   291.016    453.654  768.900    46.147   26.875  10.592  37.661  1.1313  -10.78547      10.65178  
1 1 1 6   61  22 o 32.037  5.9761  591.263    199.738  623.503    469.906  584.154    220.665  32.601  11.109  31.648  6.6488  0.9526978      12.94650  
1 1 1 6   61  23 o 21.407  7.3234  246.985    204.229  309.582    453.302  231.043    228.762  26.761  10.574  21.390  7.7152  5.370996       13.08973  
1 1 1 6   61  24 o 48.782  4.0809  1326.73    213.639  1216.02    508.434  1350.47    235.431  43.237  10.869  49.079  4.4783  -5.842098      11.75545  
1 1 1 6   61  25 o 82.818  2.8664  3771.86    257.117  3033.77    642.152  3912.78    280.591  69.746  8.6891  84.254  3.0748  -14.50845      9.217040  
1 1 1 6   61  26 o 60.454  5.3985  2119.56    349.762  0.0000     0.0000   2119.56    349.762  ?       ?       60.454  5.3985  0.000000       5.398481  
1 1 1 6   61  27 o 27.784  8.7928  513.133    296.504  0.0000     0.0000   513.133    296.504  ?       ?       27.784  8.7928  0.000000       8.792787  
1 1 1 6   61  28 o 42.615  6.7269  1129.83    300.187  0.0000     0.0000   1129.83    300.187  ?       ?       42.615  6.7269  0.000000       6.726912  
1 1 1 6   61  29 f 20.484  8.6723  171.385    332.482  0.0000     0.0000   171.385    332.482  ?       ?       20.484  8.6723  0.000000       8.672334  
1 1 1 6   62  0  o 188.439 3.6655  19250.51   748.125  19360.41   1060.52  19141.65   1055.51  188.876 5.1841  187.805 5.1890  1.070511       7.334911  
1 1 1 6   62  1  o 311.100 5.4669  52538.09   1842.09  53079.50   2605.89  51997.34   2604.33  312.333 7.7031  309.118 7.7786  3.214569       10.94736  
1 1 1 6   62  2  o 318.397 5.9091  55055.77   2037.79  54130.84   3134.33  55733.00   2682.00  315.084 9.1843  320.028 7.7375  -4.943665      12.00920  
1 1 1 6   62  3  o 144.670 3.2766  11344.45   513.417  11100.71   750.667  11558.68   703.762  143.032 4.8456  145.975 4.4512  -2.942810      6.579710  
1 1 1 6   62  4  o 134.325 3.1502  9779.72    458.321  9792.93    663.971  9767.70    633.435  134.353 4.5628  134.190 4.3582  0.1626282      6.309784  
1 1 1 6   62  5  o 70.393  2.7978  2685.44    213.314  2502.02    303.287  2865.01    300.083  67.791  4.1506  72.585  3.8306  -4.794144      5.648061  
1 1 1 6   62  6  o 174.089 3.5683  16433.27   672.819  16588.66   952.827  16278.74   950.198  174.802 5.0327  173.158 5.0664  1.643478       7.141168  
1 1 1 6   62  7  o 184.501 3.6835  18461.27   736.080  18582.28   1043.04  18341.21   1038.92  184.972 5.2063  183.766 5.2197  1.205124       7.372271  
1 1 1 6   62  8  o 162.363 3.4163  14295.91   600.782  14213.23   854.572  14376.71   844.780  161.778 4.8771  162.713 4.7935  -0.9354248     6.838374  
1 1 1 6   62  9  o 36.483  3.7529  729.751    146.180  836.966    243.273  669.163    182.878  38.773  5.9855  34.740  5.0046  4.033054       7.802092  
1 1 1 6   62  10 o 159.121 3.4418  13737.04   593.173  13467.72   848.662  13994.28   829.416  157.396 4.9782  160.469 4.7721  -3.072342      6.896044  
1 1 1 6   62  11 o 84.727  2.8926  3893.56    265.445  3430.44    390.876  4289.95    361.620  79.308  4.5698  88.889  3.7561  -9.580910      5.915318  
1 1 1 6   62  12 o 163.903 4.0107  14598.74   711.991  13609.26   1244.20  15080.52   868.195  157.625 7.2878  166.458 4.8155  -8.833115      8.735045  
1 1 1 6   62  13 o 81.276  3.3013  3587.43    290.619  3274.09    522.603  3727.71    349.673  77.109  6.3127  82.804  3.8989  -5.694656      7.419700  
1 1 1 6   62  14 o 136.699 3.1806  10151.04   470.912  10652.83   986.569  10002.98   535.902  139.344 6.5368  135.632 3.6480  3.712616       7.485856  
1 1 1 6   62  15 o 138.077 3.2624  10363.65   487.901  9063.52    1005.73  10763.79   557.954  127.977 7.2859  140.648 3.6626  -12.67167      8.154695  
1 1 1 6   62  16 o 43.935  2.0467  1047.10    97.393   1059.79    433.911  1046.43    99.943   42.662  9.6201  43.919  2.1010  -1.257229      9.846850  
1 1 1 6   62  17 o 55.248  3.4060  1668.17    202.820  1463.88    472.836  1714.23    224.524  50.369  8.9972  55.959  3.7257  -5.589760      9.738123  
1 1 1 6   62  18 o 29.138  2.3663  464.189    74.036   926.687    422.092  449.509    75.202   39.604  9.8743  28.661  2.4459  10.94233       10.17272  
1 1 1 6   62  19 o 40.780  4.3222  920.826    187.999  1084.48    435.531  883.349    208.416  42.773  9.6327  39.798  4.9414  2.975716       10.82620  
1 1 1 6   62  20 o 47.922  3.8383  1264.75    197.554  860.955    457.512  1357.30    219.025  37.750  10.700  49.596  4.1145  -11.84605      11.46358  
1 1 1 6   62  21 o 79.040  3.3074  3414.19    283.138  2943.70    610.039  3543.37    319.653  71.455  8.0209  80.437  3.6691  -8.981972      8.820204  
1 1 1 6   62  22 o 91.933  2.8915  4613.91    287.914  4448.05    674.206  4650.90    318.407  88.260  7.1131  92.222  3.1877  -3.961662      7.794726  
1 1 1 6   62  23 o 58.276  2.4799  1852.08    156.532  1547.17    528.648  1881.38    163.881  49.942  10.120  58.719  2.5768  -8.777466      10.44271  
1 1 1 6   62  24 o 15.612  2.2547  135.689    37.021   245.287    458.655  134.971    37.143   25.271  10.401  15.567  2.2696  9.703230       10.64584  
1 1 1 6   62  25 o 31.793  7.3113  625.491    246.507  0.0000     0.0000   625.491    246.507  ?       ?       31.793  7.3113  0.000000       7.311265  
1 1 1 6   62  26 o 47.283  5.9066  1320.92    295.892  0.0000     0.0000   1320.92    295.892  ?       ?       47.283  5.9066  0.000000       5.906551  
1 1 1 6   62  27 o 23.510  8.6585  335.737    290.284  0.0000     0.0000   335.737    290.284  ?       ?       23.510  8.6585  0.000000       8.658514  
1 1 1 6   62  28 o 41.692  6.9290  1092.37    301.904  0.0000     0.0000   1092.37    301.904  ?       ?       41.692  6.9290  0.000000       6.928972  
1 1 1 6   62  29 o 21.579  9.1257  211.790    367.502  0.0000     0.0000   211.790    367.502  ?       ?       21.579  9.1257  0.000000       9.125669  
1 1 1 6   63  0  o 466.978 7.8907  118704.00  3990.99  119901.10  5645.42  117507.90  5642.79  468.140 11.134  463.398 11.243  4.741760       15.82287  
1 1 1 6   63  1  o 339.490 5.9567  62600.98   2190.31  61222.36   3098.35  63978.19   3096.79  335.210 8.5338  342.717 8.3427  -7.507355      11.93426  
1 1 1 6   63  2  o 101.972 2.8718  5635.18    317.182  5438.02    446.086  5836.78    451.081  100.135 4.1130  103.745 4.0144  -3.609932      5.747360  
1 1 1 6   63  3  f 94.992  2.8003  4890.05    288.108  5205.44    411.488  4586.75    403.521  97.976  3.8777  91.963  4.0512  6.012100       5.607871  
1 1 1 6   63  4  o 142.573 3.2059  11018.77   495.062  11086.43   701.563  10951.67   698.693  142.942 4.5315  142.070 4.5406  0.8719635      6.414920  
1 1 1 6   63  5  o 53.247  2.0703  1536.08    119.401  1542.97    137.827  1515.36    239.038  53.363  2.3847  52.683  4.2247  0.6797180      4.851254  
1 1 1 6   63  6  f 95.155  2.7940  4907.51    287.960  5156.46    411.379  4668.35    403.217  97.501  3.8955  92.767  4.0131  4.733902       5.592825  
1 1 1 6   63  7  o 158.235 3.2952  13576.56   564.745  14082.61   801.500  13077.59   795.869  161.061 4.5945  155.196 4.7347  5.865219       6.597496  
1 1 1 6   63  8  o 63.422  2.8247  2180.58    194.035  2310.09    285.084  2068.80    264.846  65.117  4.0624  61.616  3.9900  3.501202       5.694115  
1 1 1 6   63  9  o 69.112  2.8659  2589.84    214.526  2610.43    318.591  2572.76    290.168  69.204  4.2713  68.737  3.9137  0.4672699      5.793189  
1 1 1 6   63  10 o 187.039 3.7354  18990.85   756.734  18672.53   1077.79  19300.34   1062.74  185.228 5.3723  188.344 5.2096  -3.115906      7.483388  
1 1 1 6   63  11 o 99.449  2.8560  5364.70    307.634  5927.49    453.712  4885.79    418.534  104.453 4.0104  94.827  4.0750  9.626335       5.717451  
1 1 1 6   63  12 o 141.353 3.7294  10856.38   570.974  10525.44   1002.71  11015.19   694.583  138.679 6.6756  142.275 4.5074  -3.596161      8.054851  
1 1 1 6   63  13 o 112.375 3.4341  6861.46    417.978  6302.47    739.923  7123.43    506.539  107.076 6.4095  114.421 4.0873  -7.345268      7.601862  
1 1 1 6   63  14 o 121.309 3.0209  7993.00    396.917  8688.48    846.346  7796.91    449.402  125.877 6.2077  119.755 3.4647  6.121773       7.109150  
1 1 1 6   63  15 o 58.813  3.3147  1886.76    210.286  1974.24    484.308  1866.44    233.439  59.260  7.7295  58.442  3.7071  0.8183250      8.572527  
1 1 1 6   63  16 o 6.0368  2.5205  3.4628     27.478   400.403    390.449  1.4872     27.546   28.351  10.095  5.9360  2.5037  22.41538       10.40125  
1 1 1 6   63  17 o 70.442  3.1271  2700.17    238.585  2343.80    530.084  2790.70    267.178  64.419  7.7530  71.576  3.4464  -7.157402      8.484514  
1 1 1 6   63  18 o 127.560 3.0983  8858.85    428.058  9359.23    887.427  8707.12    488.665  130.036 6.3008  126.353 3.5707  3.683350       7.242277  
1 1 1 6   63  19 o 93.130  3.0510  4725.24    307.747  4143.01    655.520  4889.85    348.545  85.806  7.1177  94.670  3.3992  -8.863922      7.887698  
1 1 1 6   63  20 o 118.370 3.2426  7648.21    415.718  6210.87    827.859  8132.88    480.724  104.752 7.3431  121.938 3.6399  -17.18546      8.195696  
1 1 1 6   63  21 o 31.515  6.0404  572.026    198.679  708.276    445.246  538.152    222.007  34.286  10.765  30.330  6.9121  3.956554       12.79313  
1 1 1 6   63  22 o 52.013  4.2566  1500.51    237.695  1338.62    514.148  1544.52    268.061  46.519  10.459  52.623  4.7545  -6.104130      11.48850  
1 1 1 6   63  23 o 41.668  5.1021  982.759    225.451  802.029    491.978  1030.80    253.651  35.518  11.335  42.487  5.6522  -6.968948      12.66640  
1 1 1 6   63  24 o 14.767  6.4203  -8.4341    191.477  221.791    456.113  -57.6874   210.967  24.737  10.294  14.640  6.5345  10.09676       12.19252  
1 1 1 6   63  25 o 47.314  5.1328  1290.31    258.817  0.0000     0.0000   1290.31    258.817  ?       ?       47.314  5.1328  0.000000       5.132755  
1 1 1 6   63  26 o 23.297  8.1930  327.228    256.398  0.0000     0.0000   327.228    256.398  ?       ?       23.297  8.1930  0.000000       8.192988  
1 1 1 6   63  27 o 29.401  9.2056  593.889    325.839  0.0000     0.0000   593.889    325.839  ?       ?       29.401  9.2056  0.000000       9.205585  
1 1 1 6   63  28 o 15.020  7.0196  -168.9497  283.145  0.0000     0.0000   -168.9497  283.145  ?       ?       15.020  7.0196  0.000000       7.019592  
1 1 1 6   64  0  o 173.652 3.6485  16349.96   686.219  15680.77   970.592  17018.80   970.329  169.951 5.2728  177.071 5.0594  -7.119949      7.307561  
1 1 1 6   64  1  o 189.245 3.9151  19421.84   802.475  19131.57   1202.46  19654.94   1077.53  187.658 5.9161  190.273 5.2286  -2.615417      7.895431  
1 1 1 6   64  2  o 123.657 3.0451  8287.97    407.838  8326.61    584.386  8251.29    569.445  123.889 4.3551  123.332 4.2629  0.5570526      6.094208  
1 1 1 6   64  3  o 152.030 3.4026  12530.90   560.284  12555.07   824.587  12510.17   763.640  152.079 5.0061  151.832 4.6436  0.2467957      6.828172  
1 1 1 6   64  4  o 154.083 3.3132  12871.39   552.936  12756.96   784.233  12984.50   779.726  153.309 4.7229  154.676 4.6543  -1.366211      6.630804  
1 1 1 6   64  5  o 152.591 3.3556  12624.64   554.587  11925.47   786.419  13316.34   782.206  148.205 4.8992  156.632 4.6107  -8.427124      6.727599  
1 1 1 6   64  6  o 47.848  3.1124  1246.48    160.419  1304.73    229.365  1190.70    224.448  48.835  4.3831  46.620  4.5009  2.214268       6.282490  
1 1 1 6   64  7  o 124.792 3.0258  8443.40    408.974  8337.78    581.764  8546.59    575.049  123.933 4.3340  125.482 4.2311  -1.549370      6.056877  
1 1 1 6   64  8  o 115.471 2.9481  7229.82    368.718  7547.73    529.754  6931.11    513.516  117.911 4.1481  112.989 4.1961  4.922234       5.900352  
1 1 1 6   64  9  o 132.464 3.1089  9517.50    446.044  9158.27    637.806  9861.36    624.023  129.824 4.5359  134.740 4.2760  -4.916473      6.233645  
1 1 1 6   64  10 o 143.766 3.2303  11215.19   502.997  11018.37   721.395  11401.42   701.704  142.346 4.6791  144.824 4.4734  -2.478790      6.473430  
1 1 1 6   64  11 o 161.896 3.4276  14231.18   601.030  14420.25   858.182  14049.17   842.019  162.754 4.8683  160.651 4.8391  2.102722       6.864222  
1 1 1 6   64  12 o 163.476 4.9338  14563.94   873.579  13642.40   1241.05  15468.98   1229.88  157.643 7.2685  168.019 6.7583  -10.37566      9.924978  
1 1 1 6   64  13 o 27.316  6.0929  424.470    175.680  814.905    428.149  345.424    192.645  37.580  10.240  24.727  6.9202  12.85303       12.35894  
1 1 1 6   64  14 o 61.374  3.2526  2053.02    215.440  2160.17    501.286  2028.75    238.599  62.103  7.6118  60.961  3.6301  1.142708       8.433131  
1 1 1 6   64  15 o 37.361  4.4342  772.134    175.933  788.648    428.964  768.794    192.904  36.859  10.330  37.192  4.9087  -0.3333244     11.43723  
1 1 1 6   64  16 o 72.509  3.0551  2859.14    239.934  2566.29    538.342  2931.73    268.026  67.618  7.4757  73.390  3.3718  -5.772659      8.200958  
1 1 1 6   64  17 o 20.611  6.3003  235.684    153.666  730.290    400.492  150.298    166.402  35.324  10.010  18.085  6.5714  17.23915       11.97453  
1 1 1 6   64  18 o 75.074  3.0447  3068.68    247.575  2854.49    549.130  3123.32    277.364  71.201  7.2205  75.692  3.3832  -4.491257      7.973823  
1 1 1 6   64  19 o 133.916 3.2868  9782.82    476.736  9760.26    957.958  9790.24    549.631  132.093 6.7178  133.806 3.7925  -1.712585      7.714432  
1 1 1 6   64  20 o 39.448  5.2935  875.433    220.462  712.572    439.806  930.089    254.784  34.537  10.676  40.478  5.9925  -5.940693      12.24250  
1 1 1 6   64  21 o 81.816  3.3190  3661.31    294.112  3670.81    593.679  3658.22    338.580  80.364  6.8871  81.648  3.8286  -1.284340      7.879741  
1 1 1 6   64  22 o 24.452  7.1018  348.806    199.228  451.822    466.485  325.824    220.334  29.326  10.942  23.885  7.5819  5.441498       13.31212  
1 1 1 6   64  23 f 63.155  3.8389  2209.16    261.345  1968.13    562.700  2275.46    295.106  56.511  9.5325  63.925  4.2871  -7.413502      10.45217  
1 1 1 6   64  24 o 38.378  5.3397  851.160    215.943  155.091    493.838  1015.72    240.115  24.286  10.434  41.943  5.4118  -17.65703      11.75362  
1 1 1 6   64  25 f 35.371  7.4568  777.066    276.674  0.0000     0.0000   777.066    276.674  ?       ?       35.371  7.4568  0.000000       7.456784  
1 1 1 6   64  26 o 37.866  7.1999  891.226    284.492  0.0000     0.0000   891.226    284.492  ?       ?       37.866  7.1999  0.000000       7.199871  
1 1 1 6   64  27 o 21.547  8.1877  262.448    263.848  0.0000     0.0000   262.448    263.848  ?       ?       21.547  8.1877  0.000000       8.187742  
1 1 1 6   64  28 o 23.791  9.3073  349.649    348.056  0.0000     0.0000   349.649    348.056  ?       ?       23.791  9.3073  0.000000       9.307277  
1 1 1 6   65  0  o 177.826 3.5977  17146.22   692.925  17138.70   981.531  17153.70   978.363  177.675 5.1004  177.755 5.0817  -0.7933044E-01 7.199873  
1 1 1 6   65  1  o 258.454 4.7635  36254.70   1333.45  35458.60   1886.45  37049.67   1885.11  255.306 6.8221  260.997 6.6685  -5.691238      9.539902  
1 1 1 6   65  2  o 83.239  2.7683  3755.16    249.584  3669.35    355.850  3838.24    350.149  82.249  3.9945  84.125  3.8429  -1.876511      5.542931  
1 1 1 6   65  3  o 125.907 2.9617  8592.81    403.891  8794.88    568.640  8387.07    573.771  127.325 4.1234  124.330 4.2608  2.994354       5.929316  
1 1 1 6   65  4  o 307.335 5.4427  51317.60   1811.73  51166.05   2563.58  51468.82   2560.77  306.381 7.7253  307.294 7.6939  -0.9132080     10.90303  
1 1 1 6   65  5  o 211.567 3.9784  24284.93   911.635  24431.88   1290.76  24138.66   1287.74  212.011 5.6210  210.732 5.6419  1.278931       7.964125  
1 1 1 6   65  6  o 117.977 2.9488  7545.95    376.802  7739.70    536.354  7357.14    529.470  119.418 4.1468  116.426 4.1988  2.991890       5.901325  
1 1 1 6   65  7  o 124.157 2.9842  8358.41    401.296  8129.43    569.383  8584.42    565.672  122.362 4.2962  125.750 4.1532  -3.388290      5.975522  
1 1 1 6   65  8  o 145.690 3.2348  11514.00   510.451  11254.95   726.632  11766.40   717.234  143.913 4.6617  147.164 4.4998  -3.250916      6.479141  
1 1 1 6   65  9  o 21.884  5.5062  270.945    130.404  413.837    213.735  186.213    164.587  27.042  7.1778  19.268  6.5744  7.774500       9.733614  
1 1 1 6   65  10 o 81.859  2.8671  3635.10    254.203  3649.09    382.715  3624.05    340.050  81.813  4.3344  81.679  3.8438  0.1342316      5.793303  
1 1 1 6   65  11 o 76.238  3.3079  3156.03    273.144  3111.98    503.457  3174.41    325.159  75.199  6.2376  76.316  3.9473  -1.117012      7.381628  
1 1 1 6   65  12 o 108.045 4.2117  6353.59    492.868  6302.88    706.456  6401.68    687.953  107.148 6.1127  108.037 5.9015  -0.8886337     8.496631  
1 1 1 6   65  13 f 144.991 3.8186  11438.17   599.667  10986.84   1076.92  11641.00   721.949  141.313 7.0361  146.125 4.5615  -4.811981      8.385341  
1 1 1 6   65  14 o 142.657 3.2140  11062.26   496.600  12291.57   1025.77  10685.94   567.543  149.575 6.3317  140.117 3.7397  9.457886       7.353647  
1 1 1 6   65  15 o 97.675  2.7361  5182.46    289.453  5945.46    671.089  5008.07    320.831  103.852 5.9916  95.977  3.0863  7.874290       6.739785  
1 1 1 6   65  16 o 107.160 3.0502  6246.24    354.017  5690.15    741.812  6410.24    402.853  101.184 6.8084  108.495 3.4282  -7.311142      7.622806  
1 1 1 6   65  17 o 115.699 3.0520  7285.21    382.464  6494.96    809.073  7512.63    434.020  107.929 6.9583  117.419 3.4127  -9.490089      7.750099  
1 1 1 6   65  18 o 12.462  5.4965  -39.8724   144.889  62.271     389.663  -56.2603   156.080  22.332  9.4178  12.671  5.6407  9.660656       10.97788  
1 1 1 6   65  19 o 87.974  3.1312  4220.62    298.358  3484.01    625.315  4437.75    339.494  78.355  7.4582  90.135  3.4775  -11.77982      8.229062  
1 1 1 6   65  20 o 24.557  1.7298  329.002    45.716   291.768    412.852  329.465    45.999   26.175  10.165  24.574  1.7395  1.601131       10.31300  
1 1 1 6   65  21 o 15.380  6.5575  9.8005     192.426  55.083     400.918  -3.7532    219.341  22.185  9.4623  16.102  6.9361  6.082661       11.73218  
1 1 1 6   65  22 o 55.182  3.9734  1685.89    235.895  1212.79    508.573  1815.58    266.271  43.819  10.788  57.160  4.3332  -13.34055      11.62557  
1 1 1 6   65  23 o 110.823 3.4118  6762.39    409.527  5597.50    882.519  7082.08    462.317  96.485  8.5329  113.206 3.7705  -16.72154      9.328840  
1 1 1 6   65  24 o ?       ?       -148.0220  30.808   -699.6530  460.130  -145.5380  30.877   16.190  7.9139  ?       ?       0.000000       7.913866  
1 1 1 6   65  25 o 20.479  8.4931  145.133    309.022  0.0000     0.0000   145.133    309.022  ?       ?       20.479  8.4931  0.000000       8.493086  
1 1 1 6   65  26 o 38.821  8.3685  979.549    341.509  0.0000     0.0000   979.549    341.509  ?       ?       38.821  8.3685  0.000000       8.368503  
1 1 1 6   65  27 o 15.333  7.0641  -120.3182  271.524  0.0000     0.0000   -120.3182  271.524  ?       ?       15.333  7.0641  0.000000       7.064144  
1 1 1 6   65  28 o 17.100  7.7758  -60.3681   315.052  0.0000     0.0000   -60.3681   315.052  ?       ?       17.100  7.7758  0.000000       7.775762  
1 1 1 6   66  0  o 38.003  1.6471  782.341    67.795   802.690    71.623   607.124    210.169  38.493  1.7179  32.895  6.1243  5.598927       6.360689  
1 1 1 6   66  1  o 143.718 3.1568  11197.50   491.397  11086.81   693.171  11309.32   696.724  142.930 4.4776  144.358 4.4560  -1.428635      6.317074  
1 1 1 6   66  2  o 119.191 2.9893  7701.00    385.901  7987.23    548.669  7420.78    542.870  121.329 4.1752  116.942 4.2860  4.387383       5.983478  
1 1 1 6   66  3  o 270.259 4.8975  39662.73   1433.59  39221.55   2028.71  40102.77   2026.09  268.376 6.9792  271.393 6.8927  -3.016571      9.809100  
1 1 1 6   66  4  o 241.472 4.3829  31650.20   1146.30  31823.45   1622.92  31477.72   1619.31  241.855 6.1954  240.533 6.2156  1.320984       8.775957  
1 1 1 6   66  5  o 156.127 3.4113  13220.41   576.854  12297.19   849.643  14009.88   785.693  150.426 5.2149  160.630 4.5160  -10.20401      6.898488  
1 1 1 6   66  6  o 205.593 3.9054  22939.88   869.656  23965.07   1231.82  21921.14   1227.94  209.929 5.4176  200.741 5.6477  9.187546       7.826032  
1 1 1 6   66  7  o 162.822 3.3928  14383.18   598.331  14309.19   849.009  14456.19   843.354  162.252 4.8312  163.091 4.7743  -0.8382568     6.792210  
1 1 1 6   66  8  o 312.308 5.4924  53101.98   1857.88  53360.15   2629.36  52844.57   2625.53  312.237 7.7749  310.714 7.8017  1.523438       11.01429  
1 1 1 6   66  9  o 148.023 3.2250  11890.57   517.040  12780.28   742.064  11051.10   720.810  153.316 4.4687  142.541 4.6689  10.77457       6.462811  
1 1 1 6   66  10 o 130.052 3.1265  9180.18    440.402  8840.05    632.910  9499.46    613.202  127.455 4.5848  132.163 4.2837  -4.708664      6.274580  
1 1 1 6   66  11 o 137.450 3.6707  10268.02   546.475  9828.57    963.846  10476.20   663.410  133.933 6.6443  138.726 4.4152  -4.793137      7.977562  
1 1 1 6   66  12 o 122.573 4.3585  8183.06    578.631  7743.39    826.530  8605.66    810.325  118.662 6.4552  125.386 5.9668  -6.723488      8.790499  
1 1 1 6   66  13 o 236.046 4.3547  30369.32   1113.32  31685.08   2244.98  29940.20   1282.09  238.832 8.6786  234.110 5.0562  4.722229       10.04409  
1 1 1 6   66  14 o 106.216 2.9317  6129.56    337.273  5699.94    637.521  6296.54    397.448  101.784 5.8069  107.591 3.4106  -5.806534      6.734461  
1 1 1 6   66  15 o 124.743 3.1484  8463.38    425.386  7238.43    886.694  8829.59    484.820  114.116 7.2110  127.346 3.5150  -13.23017      8.022083  
1 1 1 6   66  16 o 35.129  4.7682  687.688    176.735  1343.95    428.526  553.183    194.003  48.328  8.4969  31.192  5.9596  17.13537       10.37855  
1 1 1 6   66  17 o 72.427  2.5797  2851.25    202.368  2880.07    546.809  2846.67    217.835  71.596  7.1469  72.347  2.7799  -0.7510147     7.668509  
1 1 1 6   66  18 o 19.577  6.9942  185.933    187.555  18.137     405.136  231.704    211.594  22.076  9.4663  21.347  7.4464  0.7291183      12.04412  
1 1 1 6   66  19 o 130.854 3.2599  9345.90    462.020  9000.93    939.223  9456.02    530.666  126.554 6.8779  131.465 3.7268  -4.910736      7.822700  
1 1 1 6   66  20 o 96.744  3.1754  5112.36    332.735  4814.83    681.455  5205.50    381.275  92.220  6.8718  97.499  3.6105  -5.279099      7.762557  
1 1 1 6   66  21 o 45.354  2.1192  1118.74    104.105  614.810    453.598  1146.76    106.960  32.324  10.915  45.916  2.1507  -13.59175      11.12468  
1 1 1 6   66  22 o 37.508  1.6037  764.164    65.150   683.526    433.767  766.026    65.898   33.225  10.648  37.552  1.6202  -4.327263      10.77045  
1 1 1 6   66  23 o 38.557  2.4220  815.594    100.634  1045.15    514.004  806.444    102.620  39.346  11.401  38.327  2.4855  1.019306       11.66904  
1 1 1 6   66  24 o 23.977  7.6904  349.187    226.235  0.0000     0.0000   349.187    226.235  ?       ?       23.977  7.6904  0.000000       7.690403  
1 1 1 6   66  25 o 30.636  8.6777  612.820    301.031  0.0000     0.0000   612.820    301.031  ?       ?       30.636  8.6777  0.000000       8.677659  
1 1 1 6   66  26 f 43.441  7.2176  1175.04    327.680  0.0000     0.0000   1175.04    327.680  ?       ?       43.441  7.2176  0.000000       7.217580  
1 1 1 6   66  27 o 33.403  8.4900  753.047    307.810  0.0000     0.0000   753.047    307.810  ?       ?       33.403  8.4900  0.000000       8.490005  
1 1 1 6   66  28 o 24.459  9.0076  391.943    314.159  0.0000     0.0000   391.943    314.159  ?       ?       24.459  9.0076  0.000000       9.007607  
1 1 1 6   67  0  o 163.665 3.9545  14532.31   700.997  13768.05   1224.29  14905.07   855.026  158.985 7.1098  165.684 4.7646  -6.698669      8.558685  
1 1 1 6   67  1  o 109.026 2.9483  6443.83    348.162  5980.02    491.998  6909.08    492.752  104.968 4.3275  112.844 4.0316  -7.875954      5.914495  
1 1 1 6   67  2  o 51.491  3.0812  1442.62    171.049  1504.98    249.435  1387.26    235.008  52.469  4.4307  50.369  4.3504  2.099834       6.209431  
1 1 1 6   67  3  o 123.488 3.0177  8267.71    403.613  8215.32    574.221  8318.87    567.429  123.023 4.3094  123.801 4.2317  -0.7780533     6.039766  
1 1 1 6   67  4  o 135.104 3.1720  9898.21    464.171  10304.94   674.001  9531.29    640.179  137.757 4.5173  132.490 4.4612  5.267532       6.348841  
1 1 1 6   67  5  o 222.579 4.1455  26895.63   999.376  27163.93   1415.02  26628.61   1411.65  223.414 5.8476  221.193 5.8923  2.220688       8.301457  
1 1 1 6   67  6  o 167.708 3.4869  15260.94   633.381  15437.06   898.304  15086.81   893.190  168.513 4.9218  166.587 4.9503  1.926361       6.980639  
1 1 1 6   67  7  o 79.023  2.8056  3386.48    240.132  3433.06    338.040  3339.02    341.176  79.513  3.9252  78.307  4.0363  1.205849       5.630185  
1 1 1 6   67  8  o 108.065 2.8924  6334.52    338.540  5969.30    481.671  6691.05    475.915  104.805 4.2432  110.985 3.9591  -6.180367      5.803394  
1 1 1 6   67  9  o 186.847 3.6783  18963.21   744.393  19505.92   1060.03  18435.20   1045.58  189.225 5.1721  183.942 5.2482  5.282883       7.368438  
1 1 1 6   67  10 o 139.943 3.6766  10642.05   557.277  10248.09   974.492  10833.50   679.317  136.818 6.5760  141.086 4.4455  -4.267792      7.937669  
1 1 1 6   67  11 o 66.672  4.2331  2429.28    304.100  2737.06    456.689  2184.09    407.609  70.473  6.0415  62.894  6.0586  7.579231       8.556066  
1 1 1 6   67  12 o 111.506 4.2947  6773.51    518.685  7300.05    766.258  6328.21    704.670  115.241 6.1613  107.293 6.0889  7.948540       8.662366  
1 1 1 6   67  13 o 195.689 3.8366  20847.09   813.166  19889.27   1648.62  21155.04   934.788  189.477 8.0333  196.973 4.3816  -7.496689      9.150576  
1 1 1 6   67  14 o 101.385 3.0253  5587.05    332.205  5051.16    709.555  5737.50    375.955  95.430  6.9117  102.694 3.3800  -7.264626      7.693904  
1 1 1 6   67  15 o 59.333  3.2698  1921.65    209.322  1602.37    492.653  1991.98    231.231  52.782  8.9366  60.370  3.5520  -7.588871      9.616595  
1 1 1 6   67  16 o 50.683  3.5611  1406.91    194.247  1521.84    465.792  1382.71    213.718  51.404  8.6750  50.175  3.9649  1.228535       9.538138  
1 1 1 6   67  17 f 96.900  3.0613  5112.92    321.290  4618.40    678.326  5255.95    364.806  90.827  6.9480  98.177  3.4307  -7.349922      7.748798  
1 1 1 6   67  18 o 118.646 3.1291  7673.96    402.103  7377.22    830.308  7764.87    459.593  114.798 6.7070  119.231 3.5589  -4.433052      7.592727  
1 1 1 6   67  19 o 51.241  4.1926  1450.39    230.650  1229.92    477.608  1517.45    263.402  45.171  10.024  52.290  4.7010  -7.119896      11.07161  
1 1 1 6   67  20 o 74.164  3.4516  3009.89    277.254  2814.00    562.438  3072.77    318.663  70.015  7.5354  74.714  3.9519  -4.699532      8.508833  
1 1 1 6   67  21 f 86.998  3.2965  4143.81    310.621  3539.88    626.817  4340.39    357.620  78.371  7.4750  88.907  3.7138  -10.53672      8.346755  
1 1 1 6   67  22 o 30.717  6.3218  554.150    203.313  277.315    431.505  633.146    230.503  25.640  10.257  32.740  6.7252  -7.100348      12.26513  
1 1 1 6   67  23 o 57.352  4.1500  1842.13    256.046  1442.59    532.255  1962.43    292.061  46.533  10.773  58.980  4.6085  -12.44764      11.71752  
1 1 1 6   67  24 o 18.003  7.7349  43.117     271.432  0.0000     0.0000   43.117     271.432  ?       ?       18.003  7.7349  0.000000       7.734921  
1 1 1 6   67  25 o 24.051  9.0373  334.027    319.312  0.0000     0.0000   334.027    319.312  ?       ?       24.051  9.0373  0.000000       9.037274  
1 1 1 6   67  26 o 19.677  8.4287  101.549    320.581  0.0000     0.0000   101.549    320.581  ?       ?       19.677  8.4287  0.000000       8.428732  
1 1 1 6   67  27 o 16.662  7.4941  -36.8313   283.242  0.0000     0.0000   -36.8313   283.242  ?       ?       16.662  7.4941  0.000000       7.494089  
1 1 1 6   68  0  o 29.149  7.1015  481.536    222.140  303.443    311.584  665.627    316.787  25.370  9.0200  34.235  8.5647  -8.865292      12.43842  
1 1 1 6   68  1  o 254.863 5.4237  35310.55   1497.18  33949.23   2598.44  35987.11   1831.82  248.886 9.6392  257.064 6.5792  -8.177628      11.67045  
1 1 1 6   68  2  o 163.699 3.5356  14536.42   626.874  14826.77   930.554  14295.18   848.223  165.166 5.2018  162.218 4.8277  2.947388       7.096837  
1 1 1 6   68  3  o 161.213 3.3942  14097.40   592.667  14068.30   840.377  14126.19   835.955  160.914 4.8218  161.249 4.7865  -0.3345490     6.794129  
1 1 1 6   68  4  o 44.835  3.3918  1096.69    163.490  1270.88    237.223  939.099    225.631  48.149  4.6050  41.242  5.1644  6.906849       6.919288  
1 1 1 6   68  5  o 161.401 3.4029  14133.89   594.872  14120.08   844.322  14147.50   838.265  161.170 4.8368  161.331 4.7973  -0.1613617     6.812339  
1 1 1 6   68  6  o 75.985  2.4928  3130.17    205.158  2941.61    263.191  3422.18    327.521  73.631  3.3002  79.393  3.8088  -5.762115      5.039668  
1 1 1 6   68  7  o 144.982 3.3104  11407.28   519.833  11691.31   765.821  11164.59   707.899  146.602 4.8230  143.296 4.5611  3.306671       6.638122  
1 1 1 6   68  8  o 195.620 3.8159  20788.86   808.497  21217.88   1148.72  20367.72   1138.13  197.323 5.3749  193.316 5.4357  4.007294       7.644323  
1 1 1 6   68  9  o 99.012  2.8640  5319.59    307.134  5511.58    444.064  5143.52    425.251  100.680 4.0722  97.264  4.0367  3.416382       5.733904  
1 1 1 6   68  10 o 103.552 3.2900  5824.33    368.994  5793.28    655.758  5838.72    446.366  102.769 5.9163  103.608 3.9776  -0.8390350     7.129084  
1 1 1 6   68  11 o 20.328  7.1753  199.467    196.826  302.580    318.199  135.564    250.498  25.292  9.1022  20.145  7.8917  5.146749       12.04694  
1 1 1 6   68  12 o 64.795  5.1061  2307.62    355.442  2368.66    513.752  2251.58    492.277  65.133  7.4147  63.516  7.2877  1.616486       10.39655  
1 1 1 6   68  13 o 161.021 3.4066  14102.65   594.124  14496.67   1217.12  13979.40   680.737  162.150 6.9302  160.202 3.9232  1.948196       7.963605  
1 1 1 6   68  14 o 62.346  3.2759  2120.44    220.434  1691.89    510.204  2218.80    244.424  54.316  8.9868  63.738  3.5547  -9.422409      9.664271  
1 1 1 6   68  15 o 71.196  3.0709  2757.42    236.803  3065.28    542.227  2684.86    263.232  74.119  6.8312  70.210  3.4615  3.908989       7.658128  
1 1 1 6   68  16 o 59.430  3.5446  1932.26    227.125  1278.43    495.925  2105.80    255.495  46.517  10.130  62.000  3.8233  -15.48315      10.82761  
1 1 1 6   68  17 f 103.509 3.0503  5835.53    341.977  6180.47    719.584  5734.89    388.675  105.357 6.3353  102.520 3.5003  2.837524       7.237999  
1 1 1 6   68  18 o 40.837  1.9043  905.454    84.231   1033.28    442.516  900.648    85.799   41.478  9.9728  40.727  1.9451  0.7518082      10.16069  
1 1 1 6   68  19 o 124.729 3.2502  8497.30    439.082  7942.13    889.372  8676.22    504.905  118.619 6.9528  125.876 3.7034  -7.257622      7.877610  
1 1 1 6   68  20 o 88.904  3.2721  4321.48    315.072  3972.63    639.151  4433.46    362.129  83.499  7.1358  89.924  3.7181  -6.424934      8.046388  
1 1 1 6   68  21 o 35.604  6.0498  730.902    224.950  728.919    443.183  731.591    261.082  34.329  10.734  35.262  7.0819  -0.9330826     12.85959  
1 1 1 6   68  22 o 23.689  7.1408  331.289    198.400  194.681    429.876  368.264    223.643  24.206  10.026  24.892  7.5991  -0.6854248     12.58063  
1 1 1 6   68  23 f 42.179  5.4199  1028.49    241.872  1152.15    467.058  983.173    282.738  41.492  10.410  40.597  6.6612  0.8945618      12.35897  
1 1 1 6   68  24 o 70.011  5.0883  2806.22    383.204  0.0000     0.0000   2806.22    383.204  ?       ?       70.011  5.0883  0.000000       5.088300  
1 1 1 6   68  25 o 18.698  7.9969  72.775     287.778  0.0000     0.0000   72.775     287.778  ?       ?       18.698  7.9969  0.000000       7.996935  
1 1 1 6   68  26 o 20.580  8.4309  183.732    299.596  0.0000     0.0000   183.732    299.596  ?       ?       20.580  8.4309  0.000000       8.430897  
1 1 1 6   68  27 o 41.746  7.4959  1114.77    326.475  0.0000     0.0000   1114.77    326.475  ?       ?       41.746  7.4959  0.000000       7.495903  
1 1 1 6   69  0  o 187.645 4.3231  19119.32   878.621  19172.86   1074.86  19011.52   1525.31  187.783 5.2847  186.606 7.5468  1.177399       9.213184  
1 1 1 6   69  1  o 162.434 4.8709  14338.01   856.958  14854.77   1213.20  13823.43   1210.64  165.068 6.7858  159.197 7.0212  5.870636       9.764441  
1 1 1 6   69  2  f 109.170 3.3401  6465.11    394.948  6866.36    694.273  6273.13    480.220  112.180 5.7332  107.490 4.1248  4.690086       7.062827  
1 1 1 6   69  3  o 161.492 3.4072  14149.23   595.961  14021.05   844.943  14276.13   840.705  160.608 4.8572  162.071 4.7893  -1.462616      6.821281  
1 1 1 6   69  4  o 84.906  2.8054  3909.20    257.988  3957.11    371.009  3864.34    358.987  85.367  4.0126  84.365  3.9287  1.001915       5.615645  
1 1 1 6   69  5  o 151.243 3.2807  12411.35   537.424  12254.77   764.627  12564.22   755.519  150.136 4.7021  152.034 4.5881  -1.897980      6.569704  
1 1 1 6   69  6  o 147.316 3.2535  11776.84   519.116  11914.07   736.817  11641.59   731.493  148.021 4.5959  146.316 4.6158  1.705048       6.513648  
1 1 1 6   69  7  o 236.781 4.4131  30489.02   1131.79  30082.48   1602.45  30893.66   1598.73  234.689 6.3041  237.864 6.2055  -3.174377      8.845867  
1 1 1 6   69  8  o 86.185  2.8298  4030.25    264.154  3996.79    382.662  4060.71    365.098  85.736  4.1208  86.437  3.8998  -0.7008896     5.673579  
1 1 1 6   69  9  o 9.3243  4.4696  -185.3150  129.563  -23.2988   259.053  -239.3610  149.620  17.454  7.5280  9.7180  4.6949  7.735708       8.872016  
1 1 1 6   69  10 o 104.820 4.1187  5979.84    467.601  5635.77    667.810  6310.78    654.951  101.278 6.1166  107.301 5.6555  -6.022331      8.330523  
1 1 1 6   69  11 o 126.909 3.6597  8760.32    503.044  8838.52    630.985  8623.94    833.313  127.319 4.5757  125.425 6.1341  1.893578       7.652750  
1 1 1 6   69  12 o 87.805  3.4398  4192.75    327.129  4503.89    617.567  4071.40    385.683  90.336  6.3522  86.446  4.1192  3.890076       7.570905  
1 1 1 6   69  13 o 142.991 3.2238  11118.82   499.289  11979.70   1032.21  10855.87   570.468  147.505 6.4609  141.191 3.7304  6.313782       7.460484  
1 1 1 6   69  14 o 29.533  5.1312  491.280    158.178  739.493    421.603  450.618    170.643  35.663  10.323  28.134  5.7929  7.528627       11.83766  
1 1 1 6   69  15 o 62.926  3.2257  2161.06    219.105  2048.56    512.873  2186.17    242.333  60.044  8.0923  63.239  3.5524  -3.194939      8.837702  
1 1 1 6   69  16 o 91.707  3.0687  4578.93    304.808  4447.56    649.709  4616.00    345.149  89.232  6.7730  92.011  3.4634  -2.779060      7.607134  
1 1 1 6   69  17 o 34.220  4.9286  656.705    177.401  464.104    431.197  695.948    194.636  29.773  10.608  35.164  5.2729  -5.391611      11.84653  
1 1 1 6   69  18 o 58.165  2.3073  1839.32    145.359  1496.36    487.476  1872.79    152.287  50.331  9.2843  58.683  2.3960  -8.351353      9.588452  
1 1 1 6   69  19 f 75.886  3.2817  3146.81    269.728  2452.56    572.892  3344.54    305.734  64.995  8.3297  78.160  3.6115  -13.16430      9.078946  
1 1 1 6   69  20 o 48.102  5.0611  1296.27    259.725  1242.40    473.873  1319.40    310.520  45.093  9.9677  48.186  6.0855  -3.093002      11.67851  
1 1 1 6   69  21 o 36.569  5.6764  766.758    217.544  574.637    448.783  825.767    248.719  31.156  10.846  37.749  6.3056  -6.593565      12.54570  
1 1 1 6   69  22 o 19.557  7.2384  188.589    203.334  -82.2955   426.842  268.104    231.260  20.525  9.2185  22.093  7.7799  -1.567308      12.06261  
1 1 1 6   69  23 o 13.278  6.2679  -224.8296  235.773  0.0000     0.0000   -224.8296  235.773  ?       ?       13.278  6.2679  0.000000       6.267861  
1 1 1 6   69  24 o 63.146  5.3801  2303.66    364.452  0.0000     0.0000   2303.66    364.452  ?       ?       63.146  5.3801  0.000000       5.380061  
1 1 1 6   69  25 o 85.398  4.8615  4185.31    447.807  0.0000     0.0000   4185.31    447.807  ?       ?       85.398  4.8615  0.000000       4.861548  
1 1 1 6   69  26 o 37.349  8.1633  914.133    321.014  0.0000     0.0000   914.133    321.014  ?       ?       37.349  8.1633  0.000000       8.163323  
1 1 1 6   69  27 o 25.930  8.5837  450.026    280.710  0.0000     0.0000   450.026    280.710  ?       ?       25.930  8.5837  0.000000       8.583678  
1 1 1 6   70  0  o 17.947  6.3387  152.757    153.626  177.574    181.492  90.038     288.522  19.412  6.8860  20.433  8.3109  -1.020763      10.79296  
1 1 1 6   70  1  o 135.296 4.5124  9945.93    661.246  9813.24    925.750  10084.14   944.829  134.172 6.3703  136.005 6.4140  -1.833206      9.039928  
1 1 1 6   70  2  o 56.409  2.6912  1725.31    164.425  1686.94    181.648  1899.33    386.864  55.688  3.0229  58.717  6.1756  -3.029297      6.875778  
1 1 1 6   70  3  o 140.066 3.5648  10647.87   540.802  12052.75   948.729  9971.65    658.209  148.738 5.8891  135.459 4.4863  13.27913       7.403270  
1 1 1 6   70  4  o 111.071 3.3051  6694.46    397.604  7518.83    706.884  6312.95    480.886  117.497 5.5546  107.800 4.1186  9.696678       6.914943  
1 1 1 6   70  5  o 226.017 4.2257  27762.38   1034.44  27986.60   1463.69  27538.63   1462.16  226.532 5.9655  224.701 6.0079  1.831512       8.466515  
1 1 1 6   70  6  o 94.357  2.8176  4829.83    287.958  4864.85    414.603  4797.19    400.245  94.612  4.0459  93.961  3.9328  0.6510773      5.642385  
1 1 1 6   70  7  o 65.178  3.3096  2312.44    232.870  2475.83    427.624  2243.56    277.650  67.078  5.9475  64.118  4.0183  2.960083       7.177745  
1 1 1 6   70  8  o 63.133  3.3518  2170.92    228.375  2302.76    417.542  2114.65    272.796  64.629  6.0348  62.222  4.0703  2.406101       7.279099  
1 1 1 6   70  9  o 103.291 3.9075  5803.01    437.151  5906.10    597.392  5684.17    641.403  103.878 5.3276  101.792 5.8421  2.085297       7.906526  
1 1 1 6   70  10 o 101.051 4.1044  5559.26    449.223  5382.39    713.625  5675.35    578.147  98.778  6.7100  101.796 5.2617  -3.017670      8.526958  
1 1 1 6   70  11 o 122.263 3.6986  8132.94    489.775  7890.31    599.786  8618.50    848.491  120.272 4.6043  125.321 6.2510  -5.049217      7.763693  
1 1 1 6   70  12 o 60.079  3.3707  1969.27    218.453  1584.42    341.509  2235.80    284.204  53.403  6.0086  63.917  4.1273  -10.51381      7.289616  
1 1 1 6   70  13 o 61.954  3.2102  2093.31    214.675  2479.55    504.054  2007.73    237.270  66.599  7.0971  60.610  3.6310  5.988476       7.972068  
1 1 1 6   70  14 o 140.717 3.2306  10775.90   492.384  10361.21   1025.15  10900.25   561.377  136.617 6.9510  141.428 3.6648  -4.811188      7.857920  
1 1 1 6   70  15 o 133.112 3.2734  9649.49    471.938  7997.18    961.552  10173.83   541.669  119.579 7.4614  136.585 3.6615  -17.00651      8.311390  
1 1 1 6   70  16 o 109.629 3.1429  6547.06    373.183  5815.76    773.214  6769.14    426.096  101.906 7.0487  111.387 3.5319  -9.481010      7.884012  
1 1 1 6   70  17 o 42.387  4.4316  996.281    200.447  1017.33    451.412  991.110    223.712  41.144  10.184  42.143  4.9985  -0.9989204     11.34485  
1 1 1 6   70  18 o 99.588  3.1415  5412.12    338.852  5172.41    704.364  5484.30    386.518  95.794  6.8335  100.141 3.5636  -4.347015      7.706895  
1 1 1 6   70  19 o 51.269  2.2643  1429.75    125.734  1681.69    560.850  1416.41    129.018  52.724  10.190  51.022  2.3346  1.701817       10.45400  
1 1 1 6   70  20 o 99.062  3.2321  5370.40    346.790  4231.44    702.484  5737.41    398.768  85.621  7.6558  102.263 3.6002  -16.64233      8.460120  
1 1 1 6   70  21 f 73.197  3.4865  2946.59    276.409  2599.72    567.307  3054.57    316.521  66.214  8.0778  74.267  3.9491  -8.052475      8.991465  
1 1 1 6   70  22 o 38.677  5.2611  860.714    214.676  1010.04    462.803  819.774    242.324  38.890  10.667  37.315  6.2143  1.575016       12.34492  
1 1 1 6   70  23 o 22.179  7.9267  276.228    240.927  0.0000     0.0000   276.228    240.927  ?       ?       22.179  7.9267  0.000000       7.926726  
1 1 1 6   70  24 o 57.649  6.1843  1964.04    380.115  0.0000     0.0000   1964.04    380.115  ?       ?       57.649  6.1843  0.000000       6.184268  
1 1 1 6   70  25 o 28.487  8.4823  534.372    281.216  0.0000     0.0000   534.372    281.216  ?       ?       28.487  8.4823  0.000000       8.482299  
1 1 1 6   70  26 o 18.323  7.8049  88.185     272.111  0.0000     0.0000   88.185     272.111  ?       ?       18.323  7.8049  0.000000       7.804860  
1 1 1 6   71  0  o 111.712 2.8910  6768.26    349.795  6560.55    486.448  6990.65    503.354  109.903 4.0865  113.448 4.0965  -3.544563      5.786255  
1 1 1 6   71  1  o 55.886  3.3796  1701.02    203.604  1397.70    241.405  2448.48    378.960  50.518  4.4576  66.868  5.2753  -16.34983      6.906471  
1 1 1 6   71  2  o 46.717  5.1757  1202.15    257.486  1057.34    340.387  1395.84    393.678  43.355  7.5214  49.972  7.5054  -6.616959      10.62557  
1 1 1 6   71  3  o 87.151  4.0449  4126.27    381.812  3612.62    540.037  4639.65    539.890  81.143  6.1915  92.138  5.4340  -10.99541      8.237879  
1 1 1 6   71  4  o 85.650  4.1899  3987.09    388.686  4328.16    542.290  3626.76    557.391  88.930  5.6595  81.251  6.3852  7.679314       8.532350  
1 1 1 6   71  5  o 139.056 3.6272  10502.06   546.308  10700.47   960.535  10407.19   664.198  139.950 6.3368  138.328 4.4332  1.621933       7.733578  
1 1 1 6   71  6  o 113.962 3.3273  7051.88    410.704  7496.33    715.521  6833.50    501.555  117.212 5.6361  112.104 4.1307  5.107254       6.987770  
1 1 1 6   71  7  o 100.715 3.2581  5508.36    355.414  6199.49    634.208  5191.94    429.130  106.435 5.5204  97.706  4.0551  8.728531       6.849712  
1 1 1 6   71  8  o 70.011  4.1388  2676.40    312.449  2285.82    452.954  3030.95    431.563  64.251  6.6028  74.318  5.3983  -10.06646      8.528666  
1 1 1 6   71  9  o 212.767 5.7940  24767.64   1335.21  24639.52   1893.38  24894.38   1883.22  211.101 8.2809  212.237 8.1924  -1.135269      11.64853  
1 1 1 6   71  10 o 146.624 3.7377  11696.19   593.583  12232.43   736.255  10700.36   1003.32  149.784 4.5383  139.555 6.6378  10.22899       8.040913  
1 1 1 6   71  11 o 67.706  2.0126  2486.17    147.590  2249.82    214.441  2698.89    203.442  64.344  3.0770  70.504  2.6641  -6.159798      4.070069  
1 1 1 6   71  12 o 127.174 3.1933  8794.71    439.848  8126.00    638.280  9399.44    606.979  121.921 4.8335  131.261 4.2694  -9.340706      6.449080  
1 1 1 6   71  13 f 102.205 3.5288  5688.48    390.638  5548.51    711.722  5748.82    467.320  100.045 6.6054  102.627 4.2042  -2.582085      7.829804  
1 1 1 6   71  14 o 81.998  2.7460  3654.71    243.875  3860.34    591.883  3612.66    267.651  83.291  6.6155  81.491  3.0324  1.799232       7.277355  
1 1 1 6   71  15 o 121.218 3.1891  8002.48    418.707  7398.21    860.781  8189.77    479.222  115.161 6.9334  122.532 3.6109  -7.370766      7.817350  
1 1 1 6   71  16 o 30.384  1.4842  500.665    48.845   75.186     428.677  506.262    49.165   23.426  9.8787  30.554  1.4857  -7.127600      9.989752  
1 1 1 6   71  17 o 14.424  6.1954  -5.4143    174.051  667.907    409.257  -154.0871  192.309  33.639  10.282  12.721  5.8903  20.91876       11.84937  
1 1 1 6   71  18 o 82.760  3.2022  3739.92    287.039  2904.30    610.032  3977.53    325.299  71.004  8.0759  85.275  3.5220  -14.27103      8.810522  
1 1 1 6   71  19 o 65.612  2.6285  2345.66    186.793  2047.11    533.336  2387.41    199.425  59.083  8.5856  66.168  2.7826  -7.085392      9.025232  
1 1 1 6   71  20 o 21.031  2.8173  245.769    62.563   341.243    441.356  243.811    63.201   27.086  10.513  20.937  2.8620  6.148470       10.89532  
1 1 1 6   71  21 o 57.577  2.5911  1812.20    161.583  1532.45    505.511  1844.04    170.529  49.371  9.7991  58.054  2.7120  -8.682953      10.16749  
1 1 1 6   71  22 o 63.609  2.7064  2219.49    186.455  1808.59    538.265  2275.52    198.761  53.051  9.7261  64.361  2.8513  -11.31062      10.13546  
1 1 1 6   71  23 o 27.601  8.3290  480.749    269.810  0.0000     0.0000   480.749    269.810  ?       ?       27.601  8.3290  0.000000       8.328977  
1 1 1 6   71  24 o 22.945  8.6802  291.264    295.708  0.0000     0.0000   291.264    295.708  ?       ?       22.945  8.6802  0.000000       8.680164  
1 1 1 6   71  25 o 20.287  8.3011  171.623    290.021  0.0000     0.0000   171.623    290.021  ?       ?       20.287  8.3011  0.000000       8.301081  
1 1 1 6   71  26 o 14.226  6.7643  -263.1989  284.255  0.0000     0.0000   -263.1989  284.255  ?       ?       14.226  6.7643  0.000000       6.764266  
1 1 1 6   72  0  o 129.346 2.9897  9076.44    418.844  8921.72    594.303  9229.12    590.385  128.120 4.2827  130.319 4.1827  -2.199387      5.986393  
1 1 1 6   72  1  o 276.361 5.0028  41569.64   1497.48  40774.97   2118.41  42363.35   2117.12  272.988 7.1647  278.310 7.0234  -5.321899      10.03296  
1 1 1 6   72  2  o 225.502 5.3556  27702.39   1308.07  27696.23   1680.36  27711.86   2083.88  225.040 6.8940  224.506 8.5699  0.5334625      10.99866  
1 1 1 6   72  3  o 73.569  4.2383  2952.09    336.290  2747.57    459.042  3189.00    494.056  70.697  6.0533  76.206  6.0351  -5.508888      8.547797  
1 1 1 6   72  4  o 81.947  3.4039  3646.21    302.118  3501.96    376.974  3905.22    505.139  80.125  4.3602  84.445  5.5539  -4.320007      7.060979  
1 1 1 6   72  5  o 14.016  6.1644  -48.7830   181.028  -178.9456  272.746  53.708     242.024  15.729  7.1844  18.256  7.5393  -2.527036      10.41426  
1 1 1 6   72  6  o 52.513  4.5468  1512.50    256.057  1314.94    374.353  1686.18    351.013  48.408  7.3729  55.233  5.9620  -6.825684      9.481836  
1 1 1 6   72  7  o 121.600 4.2876  8048.62    564.699  7919.39    806.944  8172.65    790.519  120.127 6.2234  122.242 5.9707  -2.115158      8.624333  
1 1 1 6   72  8  o 92.953  4.0165  4701.85    404.375  5229.31    582.935  4212.60    561.416  97.665  5.5335  87.536  5.9569  10.12950       8.130422  
1 1 1 6   72  9  f 73.307  3.6533  2922.72    290.069  2856.36    379.935  3015.45    449.133  72.186  4.8882  74.033  5.6437  -1.846741      7.466347  
1 1 1 6   72  10 o 108.165 3.0773  6356.95    360.524  6140.99    523.438  6551.87    497.283  106.104 4.5547  109.657 4.1869  -3.553207      6.186756  
1 1 1 6   72  11 f 167.476 3.6476  15267.53   661.662  15810.24   910.680  14660.72   962.971  170.064 4.9441  163.606 5.4343  6.457977       7.346789  
1 1 1 6   72  12 o 174.073 3.5846  16500.21   675.842  16772.90   967.251  16240.08   944.718  175.014 5.1026  172.226 5.0645  2.788086       7.189270  
1 1 1 6   72  13 o 147.975 3.9080  11942.60   626.341  11457.13   1101.63  12174.49   761.378  143.785 7.0738  149.166 4.7126  -5.381332      8.499823  
1 1 1 6   72  14 f 70.206  2.6397  2678.91    200.722  2730.46    541.259  2670.68    216.133  69.706  7.2763  70.077  2.8476  -0.3708344     7.813666  
1 1 1 6   72  15 o 54.890  3.6886  1651.86    218.021  1760.94    487.858  1624.64    243.712  55.346  8.4024  54.341  4.1726  1.005253       9.381384  
1 1 1 6   72  16 o 70.618  2.6345  2713.11    201.505  2174.62    551.068  2796.22    216.498  61.416  8.5132  71.672  2.7889  -10.25602      8.958346  
1 1 1 6   72  17 o 46.957  4.1667  1218.69    209.714  861.617    469.483  1307.69    234.398  37.703  10.888  48.573  4.5067  -10.87085      11.78388  
1 1 1 6   72  18 o 82.306  3.2187  3700.04    286.930  3728.02    607.723  3692.01    325.493  81.086  6.9880  82.115  3.6597  -1.028976      7.888346  
1 1 1 6   72  19 o 20.076  6.9620  210.048    184.830  482.507    428.465  147.756    204.872  29.605  10.572  18.840  7.2016  10.76443       12.79168  
1 1 1 6   72  20 o 22.902  1.4603  285.913    36.035   135.282    431.376  286.972    36.162   23.668  9.9413  22.945  1.4627  0.7230797      10.04833  
1 1 1 6   72  21 o 33.560  2.1833  616.943    78.927   646.050    459.681  616.058    80.117   31.860  10.983  33.529  2.2187  -1.668808      11.20513  
1 1 1 6   72  22 o 60.738  2.9636  2029.33    194.960  0.0000     0.0000   2029.33    194.960  ?       ?       60.738  2.9636  0.000000       2.963564  
1 1 1 6   72  23 o 29.749  8.2232  563.845    273.810  0.0000     0.0000   563.845    273.810  ?       ?       29.749  8.2232  0.000000       8.223193  
1 1 1 6   72  24 o 20.332  8.5572  130.000    320.641  0.0000     0.0000   130.000    320.641  ?       ?       20.332  8.5572  0.000000       8.557216  
1 1 1 6   72  25 o 20.543  8.1295  206.548    268.292  0.0000     0.0000   206.548    268.292  ?       ?       20.543  8.1295  0.000000       8.129474  
1 1 1 6   72  26 o 40.768  7.8218  1071.02    332.816  0.0000     0.0000   1071.02    332.816  ?       ?       40.768  7.8218  0.000000       7.821848  
1 1 1 6   73  0  o 102.729 3.9287  5734.42    437.127  6125.05    625.550  5361.65    611.087  105.863 5.4744  98.985  5.7243  6.878647       7.920628  
1 1 1 6   73  1  o 106.541 3.9627  6168.68    457.273  5971.32    642.358  6371.44    651.093  104.477 5.6981  107.951 5.5877  -3.473877      7.980642  
1 1 1 6   73  2  f 66.036  2.9547  2366.32    211.335  2240.40    297.999  2493.73    299.756  64.039  4.3216  67.604  4.1133  -3.565201      5.966259  
1 1 1 6   73  3  o 77.099  2.8605  3225.41    238.870  3249.14    274.874  3152.21    482.776  77.358  3.2806  75.750  5.9316  1.608284       6.778411  
1 1 1 6   73  4  o 78.548  3.2986  3350.36    280.630  3097.19    343.990  3854.15    485.247  75.339  4.2327  83.892  5.3685  -8.553329      6.836445  
1 1 1 6   73  5  o 15.872  6.7419  4.6122     202.000  -22.9098   275.517  36.601     297.036  18.022  7.7684  19.681  8.2571  -1.658165      11.33700  
1 1 1 6   73  6  o 160.220 4.8210  13991.85   836.604  14435.82   1189.69  13557.52   1176.69  162.235 6.7704  157.180 6.9119  5.054596       9.675369  
1 1 1 6   73  7  o 126.076 4.3453  8656.53    593.369  8433.69    846.572  8871.72    831.921  123.899 6.3296  127.304 6.0335  -3.404678      8.744546  
1 1 1 6   73  8  o 30.388  5.3926  519.386    170.989  802.979    219.428  80.955     272.832  37.943  5.4997  19.698  8.0547  18.24542       9.753155  
1 1 1 6   73  9  o 44.649  3.7140  1092.04    177.976  1276.31    305.250  997.133    219.065  47.891  6.0177  42.471  4.8491  5.419624       7.728309  
1 1 1 6   73  10 o 75.941  3.1458  3134.65    258.746  2767.34    386.857  3431.98    348.057  70.971  5.0660  79.261  4.0680  -8.290161      6.497136  
1 1 1 6   73  11 o 88.990  3.0550  4305.20    294.458  3921.56    430.199  4643.36    403.897  84.581  4.7147  92.287  4.0408  -7.705429      6.209371  
1 1 1 6   73  12 o 79.553  3.2536  3443.43    280.346  3513.88    422.443  3387.99    374.764  79.980  4.9002  78.634  4.4182  1.346458       6.597881  
1 1 1 6   73  13 o 57.031  4.2864  1786.97    262.837  1282.54    494.659  1985.41    310.259  46.708  10.074  60.024  4.8128  -13.31540      11.16458  
1 1 1 6   73  14 o 38.439  1.6408  801.365    68.312   765.836    100.630  831.732    93.032   37.459  2.4946  39.075  2.2072  -1.616566      3.330844  
1 1 1 6   73  15 o 38.506  4.7139  825.620    192.491  735.313    438.616  847.161    214.223  35.309  10.612  38.896  5.2165  -3.586742      11.82444  
1 1 1 6   73  16 o 2.8439  1.4279  -57.5674   19.310   -59.4605   28.289   -55.9157   26.424   3.8963  1.9163  3.7578  1.8489  0.1385131      2.662859  
1 1 1 6   73  17 o 59.437  3.5320  1938.40    226.354  2017.28    512.276  1919.26    252.322  59.016  8.2390  59.042  3.9688  -0.2563858E-01 9.145037  
1 1 1 6   73  18 o 69.433  3.5333  2645.20    264.841  2190.16    554.611  2779.62    301.430  61.211  8.6030  71.071  3.9311  -9.860706      9.458569  
1 1 1 6   73  19 o 64.279  3.6687  2275.33    254.359  1731.31    533.140  2435.65    289.422  53.508  9.5495  66.395  4.0439  -12.88709      10.37043  
1 1 1 6   73  20 o 61.620  3.7658  2101.81    250.128  1529.88    526.622  2268.42    284.235  49.245  10.209  63.887  4.1298  -14.64235      11.01234  
1 1 1 6   73  21 o 19.256  7.0108  189.751    189.537  221.166    437.846  182.507    210.258  24.395  10.113  19.477  7.3305  4.917938       12.49022  
1 1 1 6   73  22 o 51.198  4.8852  1493.30    267.612  0.0000     0.0000   1493.30    267.612  ?       ?       51.198  4.8852  0.000000       4.885239  
1 1 1 6   73  23 o 21.002  8.3220  200.524    281.482  0.0000     0.0000   200.524    281.482  ?       ?       21.002  8.3220  0.000000       8.321963  
1 1 1 6   73  24 f 18.696  7.8405  102.476    267.616  0.0000     0.0000   102.476    267.616  ?       ?       18.696  7.8405  0.000000       7.840501  
1 1 1 6   73  25 o 54.643  6.4842  1812.03    376.274  0.0000     0.0000   1812.03    376.274  ?       ?       54.643  6.4842  0.000000       6.484222  
1 1 1 6   74  0  o 106.484 3.9572  6163.84    456.399  5874.38    645.393  6453.40    645.497  103.575 5.7761  108.628 5.5043  -5.052864      7.978750  
1 1 1 6   74  1  o 246.121 6.4292  33137.47   1713.87  32284.80   2425.45  33987.79   2422.10  241.630 9.2677  248.059 9.0150  -6.428650      12.92907  
1 1 1 6   74  2  o 181.296 5.1550  17918.49   1012.25  17754.21   1435.19  18081.10   1427.90  179.844 7.3679  181.527 7.2625  -1.682693      10.34555  
1 1 1 6   74  3  o 141.832 3.1495  10921.98   483.830  11404.37   687.784  10449.41   680.748  144.757 4.3868  138.540 4.5367  6.216995       6.310740  
1 1 1 6   74  4  o 119.253 2.9373  7719.47    379.388  7974.10    541.426  7473.83    531.776  121.068 4.1290  117.201 4.1892  3.867043       5.881963  
1 1 1 6   74  5  o 168.406 4.0628  15430.29   741.062  15304.60   907.986  15681.05   1282.50  167.518 5.0044  168.996 7.0066  -1.478790      8.610254  
1 1 1 6   74  6  o 153.857 3.8527  12876.41   642.028  13117.36   787.185  12397.67   1109.59  155.127 4.6851  150.267 6.8176  4.860245       8.272210  
1 1 1 6   74  7  o 88.006  3.2855  4208.50    313.176  4366.60    387.588  3911.12    531.558  89.571  3.9951  84.335  5.8556  5.236801       7.088703  
1 1 1 6   74  8  o 38.646  3.9921  821.660    164.695  988.174    286.400  739.392    201.309  41.946  6.5153  36.418  5.2557  5.528351       8.370866  
1 1 1 6   74  9  o 76.564  2.6653  3182.82    221.027  3040.57    283.565  3403.04    352.823  74.764  3.5018  78.919  4.1421  -4.154724      5.424007  
1 1 1 6   74  10 o 82.414  3.1159  3692.50    278.136  3361.86    412.693  3967.65    376.483  78.268  4.8928  85.312  4.0744  -7.044441      6.367136  
1 1 1 6   74  11 o 98.589  3.1650  5286.44    337.963  5030.09    506.788  5491.74    453.537  95.761  4.9026  100.327 4.1737  -4.565628      6.438589  
1 1 1 6   74  12 o 126.095 3.2033  8652.09    437.483  8842.07    645.667  8490.85    594.844  127.125 4.6893  124.649 4.4060  2.475960       6.434437  
1 1 1 6   74  13 o 43.077  4.7697  1028.77    218.805  964.131    456.705  1048.03    249.276  40.327  10.391  43.338  5.4298  -3.010349      11.72442  
1 1 1 6   74  14 o 96.332  2.8770  5049.67    300.183  4987.80    679.991  5064.65    334.546  94.534  6.6843  96.420  3.2035  -1.885727      7.412275  
1 1 1 6   74  15 o 67.761  3.3245  2504.36    243.990  2040.09    531.709  2628.20    274.609  59.490  8.4931  69.267  3.6734  -9.776993      9.253517  
1 1 1 6   74  16 o 66.050  2.5620  2373.89    183.281  1620.38    535.225  2473.98    195.075  52.194  9.8284  67.414  2.6717  -15.22066      10.18507  
1 1 1 6   74  17 o 43.766  4.4864  1064.42    209.661  942.875    472.153  1094.27    233.997  39.262  10.776  44.257  4.9674  -4.994583      11.86586  
1 1 1 6   74  18 o 15.347  6.5734  3.0262     194.960  67.229     427.522  -13.8308   219.064  22.971  9.7837  15.920  6.8944  7.050595       11.96887  
1 1 1 6   74  19 o 55.958  4.0674  1735.55    244.830  1629.06    510.517  1767.36    279.008  51.733  9.4598  56.287  4.6172  -4.554874      10.52646  
1 1 1 6   74  20 o 16.925  6.9091  80.348     200.319  390.247    438.076  -1.5816    225.247  27.312  10.509  16.137  6.9898  11.17419       12.62125  
1 1 1 6   74  21 o 42.384  4.8018  1022.61    216.542  1041.25    481.347  1017.89    242.462  39.228  10.925  41.994  5.4598  -2.766567      12.21311  
1 1 1 6   74  22 o 55.120  5.4722  1752.71    322.379  0.0000     0.0000   1752.71    322.379  ?       ?       55.120  5.4722  0.000000       5.472220  
1 1 1 6   74  23 o 28.641  8.3733  527.712    276.138  0.0000     0.0000   527.712    276.138  ?       ?       28.641  8.3733  0.000000       8.373258  
1 1 1 6   74  24 o 21.675  8.5119  239.335    292.021  0.0000     0.0000   239.335    292.021  ?       ?       21.675  8.5119  0.000000       8.511884  
1 1 1 6   74  25 o 28.796  8.9129  559.598    306.443  0.0000     0.0000   559.598    306.443  ?       ?       28.796  8.9129  0.000000       8.912918  
1 1 1 6   75  0  o 55.963  2.8828  1704.26    174.143  1605.75    245.582  1803.88    246.975  54.165  4.2194  57.458  3.9934  -3.292831      5.809485  
1 1 1 6   75  1  o 85.171  3.7599  3943.17    346.850  3528.32    483.785  4381.96    497.544  80.194  5.6051  89.494  5.1548  -9.299805      7.615011  
1 1 1 6   75  2  f 142.076 4.4822  10990.77   689.730  11187.19   980.413  10798.31   970.514  142.957 6.3319  140.439 6.3803  2.518188       8.988961  
1 1 1 6   75  3  o 156.079 4.6846  13272.94   791.934  13715.69   1124.67  12837.54   1115.31  158.199 6.5637  153.005 6.7301  5.194595       9.400892  
1 1 1 6   75  4  o 73.479  2.8062  2930.58    223.334  2973.09    323.423  2891.83    308.771  73.809  4.0613  72.808  3.9301  1.000664       5.651532  
1 1 1 6   75  5  o 120.582 2.9581  7894.85    386.336  8050.11    550.346  7744.00    542.462  121.604 4.1785  119.266 4.1993  2.337601       5.924042  
1 1 1 6   75  6  o 106.056 2.8587  6106.83    328.372  6291.06    469.866  5930.94    459.096  107.508 4.0352  104.382 4.0608  3.125710       5.724740  
1 1 1 6   75  7  o 142.288 3.1442  11000.17   484.558  11896.56   698.513  10168.69   672.751  147.747 4.3650  136.560 4.5484  11.18712       6.304080  
1 1 1 6   75  8  o 99.065  3.0164  5331.98    323.651  5469.10    474.367  5212.55    442.694  100.152 4.3730  97.804  4.1791  2.348457       6.048812  
1 1 1 6   75  9  o 216.290 4.1274  25503.02   966.904  25160.88   1373.83  25838.85   1361.08  214.086 5.9248  217.016 5.7906  -2.930862      8.284565  
1 1 1 6   75  10 o 83.027  3.2193  3749.29    289.500  3414.07    443.531  3998.11    382.126  78.784  5.2275  85.620  4.1206  -6.835938      6.656256  
1 1 1 6   75  11 o 130.932 3.2356  9327.69    458.853  9314.69    665.957  9339.43    633.119  130.498 4.7116  130.736 4.4712  -0.2375946     6.495464  
1 1 1 6   75  12 o 155.337 3.5842  13150.78   603.031  13633.06   843.746  12647.19   862.180  157.712 4.9394  151.787 5.2444  5.924957       7.204280  
1 1 1 6   75  13 o 85.739  3.5892  4009.18    333.305  3371.05    623.492  4264.50    394.388  77.369  7.5361  88.328  4.1225  -10.95904      8.589931  
1 1 1 6   75  14 o 55.616  3.6686  1696.10    219.750  1459.39    494.194  1754.44    245.339  49.834  9.5028  56.496  4.0360  -6.662090      10.32432  
1 1 1 6   75  15 o 65.033  3.3853  2314.28    237.623  1353.73    527.077  2559.32    266.212  47.431  10.534  68.351  3.6088  -20.92007      11.13510  
1 1 1 6   75  16 o 91.400  2.8498  4551.95    282.122  3987.27    657.390  4679.43    312.348  83.845  7.3121  92.616  3.1137  -8.770988      7.947469  
1 1 1 6   75  17 o 60.365  3.6716  2002.49    238.914  1738.56    524.971  2071.43    268.309  54.155  9.2843  61.300  4.0642  -7.145039      10.13487  
1 1 1 6   75  18 o 31.735  6.3323  584.843    210.030  560.631    456.814  591.333    236.510  31.266  10.939  31.706  7.0676  -0.4401665     13.02374  
1 1 1 6   75  19 o 71.615  3.4539  2818.61    267.905  2533.39    572.590  2898.55    303.132  65.289  8.2835  72.388  3.8804  -7.098900      9.147352  
1 1 1 6   75  20 o 72.747  3.5614  2923.28    280.614  3430.54    586.498  2772.69    319.566  76.292  7.1822  70.462  4.2065  5.830696       8.323383  
1 1 1 6   75  21 o 33.138  6.7215  660.314    232.996  0.0000     0.0000   660.314    232.996  ?       ?       33.138  6.7215  0.000000       6.721510  
1 1 1 6   75  22 o 50.165  5.5393  1458.86    295.955  0.0000     0.0000   1458.86    295.955  ?       ?       50.165  5.5393  0.000000       5.539311  
1 1 1 6   75  23 o 35.790  8.7256  836.838    335.187  0.0000     0.0000   836.838    335.187  ?       ?       35.790  8.7256  0.000000       8.725630  
1 1 1 6   75  24 o 61.010  5.3418  2171.40    349.433  0.0000     0.0000   2171.40    349.433  ?       ?       61.010  5.3418  0.000000       5.341838  
1 1 1 6   75  25 o 35.976  8.8976  872.171    344.771  0.0000     0.0000   872.171    344.771  ?       ?       35.976  8.8976  0.000000       8.897607  
1 1 1 6   76  0  o 124.196 3.0018  8374.34    403.794  8487.42    571.730  8261.81    570.375  124.877 4.2271  123.199 4.2745  1.677864       6.011604  
1 1 1 6   76  1  o 51.729  3.0554  1458.01    170.428  1317.71    241.586  1597.00    240.461  48.967  4.6093  54.016  4.1416  -5.049049      6.196669  
1 1 1 6   76  2  f 68.074  3.7517  2527.32    275.550  2402.71    396.543  2643.66    383.174  66.081  5.5929  69.420  5.1325  -3.338554      7.590998  
1 1 1 6   76  3  o 39.580  4.6626  865.399    196.049  937.005    292.290  806.840    264.324  40.780  6.8612  37.808  6.7001  2.972263       9.589948  
1 1 1 6   76  4  o 17.819  6.4143  146.483    158.028  229.071    252.082  93.014     202.832  22.315  8.0912  17.770  7.0570  4.545256       10.73633  
1 1 1 6   76  5  o 83.949  2.8563  3826.40    259.711  3798.08    368.114  3854.46    366.466  83.528  4.0689  84.151  4.0207  -0.6228027     5.720364  
1 1 1 6   76  6  o 185.955 3.6586  18810.18   736.875  19351.35   1050.81  18286.59   1033.60  188.199 5.1551  182.929 5.2168  5.270203       7.334135  
1 1 1 6   76  7  o 118.811 2.9935  7668.94    385.223  8046.98    558.459  7325.78    532.073  121.510 4.2434  115.938 4.2372  5.571762       5.996639  
1 1 1 6   76  8  o 79.860  2.4996  3462.10    216.204  3653.04    275.854  3158.01    348.122  81.979  3.1068  75.984  4.2470  5.994720       5.262003  
1 1 1 6   76  9  o 67.814  3.2568  2501.23    239.213  2394.18    362.451  2583.85    318.408  65.947  5.1144  68.683  4.3019  -2.736015      6.683070  
1 1 1 6   76  10 o 120.541 3.2277  7904.66    421.409  7588.44    613.924  8186.40    579.491  117.779 4.8126  122.439 4.3697  -4.660187      6.500408  
1 1 1 6   76  11 o 32.220  1.5159  562.805    52.900   572.382    54.212   372.072    241.931  32.492  1.5404  25.775  7.9097  6.716852       8.058307  
1 1 1 6   76  12 o 84.418  2.8358  3875.60    259.283  3465.60    341.470  4433.86    398.451  79.669  3.9572  90.090  4.0835  -10.42100      5.686327  
1 1 1 6   76  13 o 63.785  4.0171  2232.60    276.109  2603.13    529.786  2094.43    323.520  67.922  7.3169  61.574  4.8913  6.347900       8.801248  
1 1 1 6   76  14 f 107.195 3.0575  6260.10    354.989  6381.64    753.689  6225.46    402.422  106.915 6.5400  106.804 3.4788  0.1105652      7.407660  
1 1 1 6   76  15 o 92.656  3.1290  4681.90    314.017  5082.54    667.615  4568.08    355.836  95.238  6.5112  91.421  3.5936  3.817047       7.437025  
1 1 1 6   76  16 o 74.950  3.4003  3069.46    276.033  3038.06    575.936  3078.82    314.509  73.048  7.3807  74.864  3.8922  -1.816025      8.344049  
1 1 1 6   76  17 o 38.366  5.1085  828.840    207.005  1034.26    471.318  779.743    230.419  40.964  10.557  36.943  5.9615  4.020992       12.12366  
1 1 1 6   76  18 o 36.850  5.3094  771.547    205.795  830.003    472.521  757.863    228.617  36.382  11.032  36.281  6.0294  0.1006165      12.57226  
1 1 1 6   76  19 f 37.724  5.6237  819.075    222.756  623.666    475.707  873.956    252.104  31.812  11.161  38.751  6.2168  -6.938902      12.77589  
1 1 1 6   76  20 o 49.696  4.5975  1394.42    244.658  1577.88    507.436  1338.85    279.260  49.653  9.7834  48.303  5.4320  1.350113       11.19028  
1 1 1 6   76  21 o 45.681  5.2063  1198.10    252.992  0.0000     0.0000   1198.10    252.992  ?       ?       45.681  5.2063  0.000000       5.206263  
1 1 1 6   76  22 o 20.636  8.3425  172.346    288.753  0.0000     0.0000   172.346    288.753  ?       ?       20.636  8.3425  0.000000       8.342530  
1 1 1 6   76  23 o 45.844  6.5447  1266.50    315.747  0.0000     0.0000   1266.50    315.747  ?       ?       45.844  6.5447  0.000000       6.544710  
1 1 1 6   76  24 o 18.198  7.9190  41.506     291.814  0.0000     0.0000   41.506     291.814  ?       ?       18.198  7.9190  0.000000       7.918983  
1 1 1 6   77  0  o 125.124 3.0351  8501.70    411.328  8229.88    584.172  8768.98    579.271  122.926 4.3876  126.916 4.2140  -3.990135      6.083480  
1 1 1 6   77  1  o 109.484 2.8735  6507.48    340.744  6340.93    479.684  6677.12    484.116  107.937 4.1031  110.770 4.0351  -2.833504      5.754804  
1 1 1 6   77  2  o 81.888  2.8313  3640.29    251.116  3544.07    354.810  3736.87    355.454  80.592  4.0780  82.871  3.9601  -2.279266      5.684434  
1 1 1 6   77  3  o 73.911  3.8527  2980.05    307.358  3103.66    444.874  2867.18    425.139  75.155  5.5035  72.225  5.4754  2.929855       7.763272  
1 1 1 6   77  4  o 136.714 4.4012  10185.32   651.714  10417.63   928.721  9959.95    914.765  137.837 6.2209  134.762 6.2672  3.074234       8.830416  
1 1 1 6   77  5  f 109.515 4.0353  6530.82    478.654  6760.99    683.655  6309.51    670.378  110.984 5.7066  107.181 5.7963  3.802307       8.134022  
1 1 1 6   77  6  o 91.450  3.2546  4546.19    322.363  4555.63    569.182  4541.74    391.144  90.993  5.8055  91.323  3.9544  -0.3298111     7.024369  
1 1 1 6   77  7  o 68.039  3.0755  2516.06    226.642  2447.41    324.141  2581.73    317.018  66.819  4.5051  68.675  4.2834  -1.855873      6.216406  
1 1 1 6   77  8  o 43.015  4.0338  1017.27    185.738  1043.68    290.296  998.964    241.682  43.099  6.4143  42.375  5.3877  0.7240486      8.376786  
1 1 1 6   77  9  o 190.804 3.8333  19839.65   792.195  20212.86   1128.12  19476.58   1112.70  191.990 5.4251  188.449 5.4515  3.540573       7.690939  
1 1 1 6   77  10 o 122.012 3.1597  8099.04    417.557  7220.88    594.346  8954.90    586.756  114.871 4.7770  128.066 4.2301  -13.19454      6.380758  
1 1 1 6   77  11 o 118.126 3.1877  7595.52    407.839  7583.08    600.430  7606.19    555.706  117.673 4.7110  117.949 4.3499  -0.2757950     6.412121  
1 1 1 6   77  12 o 86.961  3.1983  4118.63    301.236  4523.22    470.180  3836.92    392.334  90.688  4.8039  83.625  4.3466  7.063553       6.478468  
1 1 1 6   77  13 o 124.653 3.6453  8483.21    492.161  7790.10    861.875  8818.58    599.519  118.118 6.7650  126.872 4.3628  -8.754227      8.049799  
1 1 1 6   77  14 o 24.414  6.5875  343.485    178.219  363.822    436.842  339.424    195.202  27.997  10.560  24.340  7.0183  3.656946       12.67956  
1 1 1 6   77  15 o 98.273  3.1311  5268.10    333.270  4708.11    702.403  5430.80    378.599  91.273  7.1627  99.688  3.5064  -8.415298      7.974929  
1 1 1 6   77  16 o 134.763 3.3271  9923.71    485.628  8951.23    989.058  10232.64   557.451  125.688 7.2967  136.674 3.7658  -10.98514      8.211175  
1 1 1 6   77  17 o 61.492  3.5098  2078.32    232.794  1687.98    535.955  2169.08    258.446  52.861  9.7192  62.740  3.8215  -9.879311      10.44351  
1 1 1 6   77  18 o 76.203  3.4621  3189.83    285.743  2244.27    604.178  3462.27    324.306  60.685  9.5041  79.284  3.7766  -18.59890      10.22694  
1 1 1 6   77  19 o 64.817  3.6801  2328.53    257.289  1859.52    558.735  2454.74    289.849  54.232  9.8760  66.397  4.0498  -12.16540      10.67411  
1 1 1 6   77  20 o 37.361  5.6287  810.586    220.704  711.712    482.686  836.722    248.166  32.848  11.259  37.662  6.3067  -4.814087      12.90460  
1 1 1 6   77  21 o 22.545  8.0287  287.151    246.955  0.0000     0.0000   287.151    246.955  ?       ?       22.545  8.0287  0.000000       8.028690  
1 1 1 6   77  22 o 21.788  8.2704  249.263    269.014  0.0000     0.0000   249.263    269.014  ?       ?       21.788  8.2704  0.000000       8.270358  
1 1 1 6   77  23 o 26.530  9.0351  453.968    310.843  0.0000     0.0000   453.968    310.843  ?       ?       26.530  9.0351  0.000000       9.035098  
1 1 1 6   77  24 o 24.820  8.8324  387.098    298.817  0.0000     0.0000   387.098    298.817  ?       ?       24.820  8.8324  0.000000       8.832371  
1 1 1 6   78  0  o 50.016  2.3267  1357.05    126.043  1250.59    147.206  1649.55    243.992  47.909  2.8497  54.889  4.1345  -6.980106      5.021409  
1 1 1 6   78  1  o 75.257  2.7879  3074.70    227.242  2666.69    319.207  3493.96    323.576  69.846  4.2395  80.146  3.7276  -10.29933      5.645223  
1 1 1 6   78  2  o 163.667 3.5728  14566.50   633.349  14467.26   939.165  14649.28   857.745  162.698 5.3295  163.851 4.8332  -1.153091      7.194738  
1 1 1 6   78  3  o 193.352 3.8129  20343.87   798.507  20296.57   1132.18  20390.69   1126.36  192.652 5.4259  193.112 5.3852  -0.4601898     7.644641  
1 1 1 6   78  4  o 193.573 5.3765  20494.99   1127.22  21024.29   1599.04  19972.14   1589.27  195.112 7.5667  190.092 7.7191  5.019821       10.80920  
1 1 1 6   78  5  o 15.289  6.1277  62.367     154.323  347.166    240.370  -137.3478  201.287  25.147  7.9119  13.427  6.1475  11.72025       10.01953  
1 1 1 6   78  6  o 94.124  3.9922  4827.06    406.992  4597.09    590.211  5035.54    561.973  91.319  6.0007  95.738  5.4420  -4.418953      8.100844  
1 1 1 6   78  7  o 94.964  4.0399  4915.59    415.532  5163.98    618.476  4711.20    561.018  96.800  5.9275  92.525  5.6249  4.275635       8.171579  
1 1 1 6   78  8  o 77.948  3.2077  3304.69    270.812  3416.33    399.706  3209.95    368.203  78.923  4.6971  76.542  4.4607  2.381409       6.477757  
1 1 1 6   78  9  o 139.778 3.3593  10634.46   508.584  10563.35   742.265  10697.39   698.244  138.905 4.9337  139.880 4.6087  -0.9749756     6.751410  
1 1 1 6   78  10 o 82.704  3.3287  3724.36    298.173  3578.74    448.871  3839.36    398.900  80.605  5.1687  83.686  4.4165  -3.080940      6.798621  
1 1 1 6   78  11 o 91.658  3.3169  4576.44    329.282  4197.31    500.236  4866.33    437.411  87.224  5.3205  94.333  4.2811  -7.108543      6.829003  
1 1 1 6   78  12 o 124.102 3.2845  8393.46    441.488  8218.53    650.877  8542.52    600.837  122.326 4.9126  124.873 4.4424  -2.547157      6.623344  
1 1 1 6   78  13 o 31.841  6.2347  580.925    207.323  843.883    455.115  512.068    232.891  37.561  10.681  29.676  7.2966  7.884550       12.93500  
1 1 1 6   78  14 o 16.226  6.4558  80.871     170.043  52.708     429.753  86.099     185.154  23.059  9.8149  16.861  6.7278  6.197834       11.89942  
1 1 1 6   78  15 o 39.868  4.8208  887.973    203.940  495.666    465.854  980.983    226.831  30.558  11.012  41.856  5.1095  -11.29870      12.13934  
1 1 1 6   78  16 o 41.763  4.8981  976.629    217.352  783.595    473.429  1028.18    244.660  35.856  11.075  42.716  5.4093  -6.859589      12.32541  
1 1 1 6   78  17 o 57.821  2.0594  1818.59    128.971  1403.92    197.281  2128.09    170.435  50.442  3.6353  62.479  2.5186  -12.03728      4.422553  
1 1 1 6   78  18 o 56.629  3.9223  1779.99    239.093  1291.50    533.742  1902.62    267.426  44.544  11.102  58.432  4.2548  -13.88723      11.88974  
1 1 1 6   78  19 o 55.566  4.0306  1723.30    240.931  1640.03    534.832  1744.50    269.864  50.508  10.129  55.702  4.5118  -5.193592      11.08843  
1 1 1 6   78  20 o 17.759  7.4837  61.564     245.745  0.0000     0.0000   61.564     245.745  ?       ?       17.759  7.4837  0.000000       7.483701  
1 1 1 6   78  21 o 53.772  5.8459  1683.99    334.989  0.0000     0.0000   1683.99    334.989  ?       ?       53.772  5.8459  0.000000       5.845948  
1 1 1 6   78  22 o 23.208  8.7008  301.488    295.656  0.0000     0.0000   301.488    295.656  ?       ?       23.208  8.7008  0.000000       8.700824  
1 1 1 6   78  23 o 17.901  7.7414  44.479     275.410  0.0000     0.0000   44.479     275.410  ?       ?       17.901  7.7414  0.000000       7.741394  
1 1 1 6   78  24 o 54.152  6.3553  1762.82    365.660  0.0000     0.0000   1762.82    365.660  ?       ?       54.152  6.3553  0.000000       6.355259  
1 1 1 6   79  0  o 64.767  2.8259  2277.81    198.232  2410.42    288.987  2159.96    272.430  66.412  4.0367  62.856  4.0227  3.556114       5.698864  
1 1 1 6   79  1  o 116.637 2.9544  7389.28    373.229  7375.15    529.829  7403.20    525.844  116.348 4.2044  116.576 4.1646  -0.2276001     5.917891  
1 1 1 6   79  2  o 73.174  2.9014  2908.18    229.948  2576.50    324.939  3240.91    325.451  68.607  4.3960  77.057  3.9123  -8.449615      5.884792  
1 1 1 6   79  3  o 142.963 3.2339  11110.06   500.751  10942.92   709.001  11276.43   707.341  141.606 4.6227  143.767 4.5425  -2.160522      6.481043  
1 1 1 6   79  4  o 193.852 3.7758  20458.49   792.767  21400.14   1129.32  19543.65   1113.13  197.769 5.2722  188.934 5.4396  8.835190       7.575318  
1 1 1 6   79  5  o 224.174 4.1269  27392.91   1002.04  29001.69   1422.33  25807.62   1411.91  229.982 5.7100  216.803 6.0127  13.17940       8.292008  
1 1 1 6   79  6  o 201.878 5.3676  22323.72   1173.66  25104.48   1676.57  19651.43   1643.54  213.081 7.2645  188.073 8.0683  25.00816       10.85684  
1 1 1 6   79  7  o 105.749 4.2410  6101.82    485.756  6006.32    699.817  6190.60    674.792  104.293 6.2236  105.988 5.9016  -1.695259      8.576840  
1 1 1 6   79  8  o 55.206  5.0994  1683.20    301.465  1779.03    470.750  1616.59    392.509  56.015  7.9853  53.655  6.9150  2.359428       10.56323  
1 1 1 6   79  9  o 34.315  5.4383  661.909    195.380  431.638    293.322  845.560    261.951  27.798  8.7391  38.630  6.4909  -10.83198      10.88596  
1 1 1 6   79  10 f 76.361  3.3379  3176.07    276.070  2853.20    427.968  3406.18    361.291  71.810  5.5454  78.828  4.2473  -7.017708      6.985045  
1 1 1 6   79  11 o 180.215 3.7418  17728.46   730.372  17212.78   1045.96  18219.19   1020.32  176.786 5.4625  182.037 5.1750  -5.250732      7.524615  
1 1 1 6   79  12 o 95.340  3.2666  4954.77    337.318  4710.18    512.735  5141.40    447.893  92.376  5.1450  96.896  4.2677  -4.519577      6.684696  
1 1 1 6   79  13 o 14.283  6.3956  -81.7621   203.823  -410.9846  431.619  12.725     231.229  18.214  8.5614  16.917  7.2001  1.296831       11.18656  
1 1 1 6   79  14 o 46.647  4.0940  1201.56    204.753  1445.47    486.792  1149.14    225.688  49.394  9.4432  45.483  4.6466  3.911636       10.52453  
1 1 1 6   79  15 o 35.138  5.1628  696.566    190.629  568.653    464.472  722.477    209.047  31.787  11.036  35.681  5.5931  -3.893902      12.37210  
1 1 1 6   79  16 o 76.659  2.7820  3205.79    230.987  2590.24    602.432  3311.88    250.101  66.460  8.5686  77.879  2.9650  -11.41882      9.067136  
1 1 1 6   79  17 o 51.065  2.3995  1421.73    132.713  769.609    505.831  1469.94    137.531  34.982  11.520  51.917  2.4458  -16.93444      11.77652  
1 1 1 6   79  18 o 13.098  5.9828  -105.9714  189.186  -151.3139  451.220  -96.3004   208.387  20.443  9.2997  14.003  6.3509  6.439430       11.26139  
1 1 1 6   79  19 o 61.425  3.6896  2095.03    244.328  1801.46    554.026  2165.91    272.230  53.028  10.013  62.300  4.0565  -9.271729      10.80372  
1 1 1 6   79  20 o 114.530 4.4972  7361.05    557.874  0.0000     0.0000   7361.05    557.874  ?       ?       114.530 4.4972  0.000000       4.497247  
1 1 1 6   79  21 o 53.058  5.9395  1648.13    335.475  0.0000     0.0000   1648.13    335.475  ?       ?       53.058  5.9395  0.000000       5.939521  
1 1 1 6   79  22 o 26.137  8.2149  433.628    259.200  0.0000     0.0000   433.628    259.200  ?       ?       26.137  8.2149  0.000000       8.214851  
1 1 1 6   79  23 o 30.599  8.4558  614.283    289.567  0.0000     0.0000   614.283    289.567  ?       ?       30.599  8.4558  0.000000       8.455803  
1 1 1 6   80  0  o 72.102  2.8128  2823.48    219.663  2781.01    315.087  2863.65    306.395  71.328  4.0957  72.411  3.9213  -1.083099      5.670170  
1 1 1 6   80  1  o 145.327 3.2192  11481.00   506.721  11240.46   717.285  11720.65   715.940  143.511 4.6146  146.570 4.5099  -3.058746      6.452405  
1 1 1 6   80  2  o 154.559 3.3697  12991.40   564.095  12946.22   800.658  13035.93   794.875  153.958 4.8015  154.504 4.7499  -0.5464783     6.753970  
1 1 1 6   80  3  o 173.718 3.5278  16419.83   663.782  17356.32   947.867  15518.60   929.852  178.213 4.9106  168.456 5.0963  9.757294       7.077210  
1 1 1 6   80  4  o 175.530 3.5562  16767.39   676.097  17253.57   963.192  16295.18   949.250  177.633 5.0063  172.605 5.0776  5.027786       7.130593  
1 1 1 6   80  5  o 159.445 3.4393  13833.24   593.947  14309.14   851.970  13383.24   828.460  161.783 4.8621  156.453 4.8890  5.329956       6.895036  
1 1 1 6   80  6  o 112.848 3.0184  6922.90    368.925  7006.02    520.545  6839.01    522.940  113.313 4.2414  111.940 4.3132  1.373070       6.049213  
1 1 1 6   80  7  o 90.683  4.2072  4488.40    413.224  4605.25    600.691  4383.42    569.343  91.267  6.1120  89.085  5.9346  2.182137       8.519188  
1 1 1 6   80  8  o 172.421 5.0498  16294.96   943.055  17656.70   1341.15  14963.14   1326.34  178.535 6.9356  164.064 7.4640  14.47101       10.18888  
1 1 1 6   80  9  o 183.421 5.3064  18480.48   1054.19  18982.94   1506.79  17998.73   1475.42  184.577 7.5371  179.699 7.5805  4.877716       10.68983  
1 1 1 6   80  10 o 178.012 5.2821  17426.26   1018.42  17456.23   1462.92  17398.07   1418.64  176.698 7.6439  176.564 7.4182  0.1333160      10.65176  
1 1 1 6   80  11 o 48.498  4.2085  1296.54    218.876  1456.67    384.090  1219.53    266.356  50.629  7.2077  46.768  5.3547  3.860962       8.979110  
1 1 1 6   80  12 f 101.750 3.2837  5646.09    361.885  5168.72    542.982  6027.59    485.410  96.713  5.2027  104.878 4.2732  -8.164848      6.732656  
1 1 1 6   80  13 o 52.896  2.3237  1521.01    133.129  1300.46    376.085  1552.60    142.345  47.546  7.5558  53.431  2.4597  -5.884804      7.946122  
1 1 1 6   80  14 o 89.113  3.1134  4332.13    300.500  3804.12    665.687  4467.26    336.764  81.734  7.6070  90.420  3.4387  -8.686340      8.348134  
1 1 1 6   80  15 o 116.751 3.1539  7446.02    398.824  7055.98    844.371  7558.02    452.479  111.573 7.0231  117.489 3.5557  -5.916054      7.871891  
1 1 1 6   80  16 o 75.438  2.7512  3106.49    224.793  2836.05    603.010  3150.14    242.256  69.601  8.1536  75.923  2.9460  -6.321609      8.669451  
1 1 1 6   80  17 o 24.637  1.8537  332.030    49.102   633.845    462.622  328.591    49.381   32.072  11.021  24.506  1.8747  7.566608       11.17884  
1 1 1 6   80  18 o 11.679  5.5369  -206.5239  187.740  -321.1186  444.223  -181.6051  207.149  18.667  8.7457  12.781  5.9832  5.885365       10.59653  
1 1 1 6   80  19 o 37.958  5.4891  833.205    219.115  677.673    499.544  870.257    243.822  32.290  11.427  38.564  6.0354  -6.274002      12.92330  
1 1 1 6   80  20 f 22.376  8.4251  261.182    277.797  0.0000     0.0000   261.182    277.797  ?       ?       22.376  8.4251  0.000000       8.425090  
1 1 1 6   80  21 o 29.864  9.1663  582.778    324.888  0.0000     0.0000   582.778    324.888  ?       ?       29.864  9.1663  0.000000       9.166265  
1 1 1 6   80  22 o 35.577  8.2289  815.010    310.776  0.0000     0.0000   815.010    310.776  ?       ?       35.577  8.2289  0.000000       8.228870  
1 1 1 6   80  23 o 37.604  7.7225  895.649    303.999  0.0000     0.0000   895.649    303.999  ?       ?       37.604  7.7225  0.000000       7.722463  
1 1 1 6   81  0  o 28.909  4.2634  465.293    129.485  440.021    181.959  491.220    184.303  27.769  6.2059  29.401  5.9910  -1.631516      8.625848  
1 1 1 6   81  1  o 99.437  2.8805  5371.62    310.233  5122.72    445.510  5605.94    432.262  96.927  4.2437  101.444 3.9341  -4.517136      5.786743  
1 1 1 6   81  2  o 182.654 3.6682  18161.82   725.692  19008.10   1031.51  17332.46   1021.14  186.408 5.1090  177.935 5.2985  8.473145       7.360456  
1 1 1 6   81  3  o 192.523 3.7266  20183.22   777.080  20822.20   1100.48  19547.77   1097.44  195.037 5.2095  188.914 5.3635  6.123230       7.476997  
1 1 1 6   81  4  o 160.773 3.4596  14066.56   602.437  14697.07   861.587  13463.42   842.677  163.951 4.8519  156.885 4.9592  7.065140       6.937920  
1 1 1 6   81  5  o 77.593  3.1121  3273.91    261.543  3378.02    389.127  3188.12    353.228  78.498  4.5969  76.312  4.2910  2.185669       6.288393  
1 1 1 6   81  6  o 147.750 3.3574  11881.92   537.284  11918.11   770.262  11847.62   749.819  147.582 4.8187  147.181 4.7036  0.4012909      6.733835  
1 1 1 6   81  7  o 75.605  3.2114  3110.68    262.970  2897.56    383.845  3299.18    360.999  72.573  4.9122  77.594  4.3125  -5.021103      6.536608  
1 1 1 6   81  8  o 80.808  3.6174  3559.60    316.603  3769.00    402.471  3219.66    512.799  82.884  4.5001  76.111  6.2766  6.773415       7.723109  
1 1 1 6   81  9  o 111.266 4.4451  6776.58    535.691  6846.05    790.532  6717.60    728.434  110.941 6.6089  110.093 6.1332  0.8478317      9.016301  
1 1 1 6   81  10 o 104.464 4.5228  5979.89    511.736  6070.20    772.583  5909.30    683.065  104.243 6.8814  103.167 6.1407  1.075462       9.222939  
1 1 1 6   81  11 o 115.188 4.6510  7283.41    580.262  6916.13    899.307  7545.38    759.519  110.814 7.5376  116.562 6.0368  -5.747688      9.656990  
1 1 1 6   81  12 o 169.911 3.7351  15782.37   687.368  15262.20   1027.70  16203.43   924.623  166.047 5.7143  171.540 4.9766  -5.493103      7.577568  
1 1 1 6   81  13 o 125.814 3.2652  8638.25    444.946  8340.30    663.518  8881.72    599.795  123.004 4.9804  127.198 4.3537  -4.193710      6.615026  
1 1 1 6   81  14 o 48.828  4.9910  1330.22    260.238  1454.96    509.378  1286.16    302.728  49.176  9.9060  47.698  5.9920  1.477905       11.57723  
1 1 1 6   81  15 o 67.082  3.4814  2471.53    252.075  1665.51    566.184  2670.80    281.516  52.134  10.392  69.665  3.7446  -17.53141      11.04571  
1 1 1 6   81  16 o 32.417  1.6529  572.407    57.844   332.149    468.179  576.131    58.291   27.181  10.745  32.522  1.6603  -5.340673      10.87213  
1 1 1 6   81  17 o 30.233  5.9449  535.577    187.729  99.527     469.561  618.533    204.809  23.636  10.165  32.511  6.0387  -8.874868      11.82313  
1 1 1 6   81  18 o 30.032  6.5643  538.593    207.561  -10.5652   472.100  670.178    231.093  22.257  9.8639  33.573  6.5905  -11.31611      11.86299  
1 1 1 6   81  19 o 52.411  4.7741  1557.17    268.038  0.0000     0.0000   1557.17    268.038  ?       ?       52.411  4.7741  0.000000       4.774098  
1 1 1 6   81  20 o 79.209  4.7626  3557.05    406.693  0.0000     0.0000   3557.05    406.693  ?       ?       79.209  4.7626  0.000000       4.762601  
1 1 1 6   81  21 o 42.419  7.8015  1122.29    345.230  0.0000     0.0000   1122.29    345.230  ?       ?       42.419  7.8015  0.000000       7.801533  
1 1 1 6   81  22 o 15.575  7.0502  -79.7394   255.375  0.0000     0.0000   -79.7394   255.375  ?       ?       15.575  7.0502  0.000000       7.050221  
1 1 1 6   82  0  o 77.070  2.7597  3226.50    230.362  3409.46    337.967  3067.74    314.825  79.099  3.9449  74.938  3.8922  4.161484       5.541759  
1 1 1 6   82  1  o 71.414  2.9883  2771.84    231.143  2561.45    338.904  2954.82    316.061  68.331  4.6061  73.525  3.9837  -5.194527      6.089845  
1 1 1 6   82  2  o 86.248  2.9149  4042.44    272.294  4049.65    395.062  4035.92    375.821  86.159  4.2334  86.042  4.0327  0.1172333      5.846803  
1 1 1 6   82  3  o 94.705  2.7958  4873.08    286.782  4995.47    386.928  4723.90    427.199  95.765  3.7304  93.047  4.2389  2.717888       5.646632  
1 1 1 6   82  4  o 139.282 3.3296  10556.66   502.286  10388.83   734.160  10704.35   688.698  137.778 4.9197  139.963 4.5430  -2.184402      6.696470  
1 1 1 6   82  5  o 116.279 3.1020  7354.23    390.679  7346.12    565.729  7361.62    540.164  115.936 4.5053  116.106 4.2954  -0.1704941     6.224742  
1 1 1 6   82  6  o 99.846  3.1451  5424.31    340.119  5294.72    490.758  5544.08    471.803  98.383  4.6055  100.733 4.3243  -2.349625      6.317481  
1 1 1 6   82  7  o 55.393  3.6067  1679.50    215.207  1739.62    311.783  1624.80    297.421  56.067  5.1932  54.184  5.1289  1.883114       7.298964  
1 1 1 6   82  8  o 21.046  6.8733  238.105    180.214  195.853    272.625  270.896    240.172  21.850  8.3180  22.967  7.9377  -1.117277      11.49769  
1 1 1 6   82  9  o 29.898  1.9658  487.227    63.303   485.534    65.273   514.014    259.629  29.839  2.0318  29.756  7.9171  0.8273697E-01  8.173659  
1 1 1 6   82  10 o 25.542  8.5208  353.737    276.415  -293.5465  488.309  658.945    335.309  20.810  9.5452  33.476  9.0371  -12.66558      13.14456  
1 1 1 6   82  11 o 20.356  8.1987  120.461    277.749  -331.8794  486.328  339.420    338.359  20.371  9.4096  26.039  9.3845  -5.667715      13.28942  
1 1 1 6   82  12 o 57.385  5.7060  1840.37    349.949  1470.91    621.132  2012.18    423.575  48.898  11.852  59.705  6.6638  -10.80714      13.59651  
1 1 1 6   82  13 o 38.209  7.7014  853.011    307.705  1399.59    620.263  674.584    354.388  47.374  12.058  33.629  9.3769  13.74466       15.27470  
1 1 1 6   82  14 o 25.629  7.7369  379.847    232.778  698.788    468.486  275.294    268.232  34.149  11.079  23.291  8.3596  10.85786       13.87875  
1 1 1 6   82  15 o 31.889  5.8377  586.760    194.195  204.076    477.008  662.786    212.611  25.611  10.581  33.883  6.0137  -8.272104      12.17057  
1 1 1 6   82  16 o 12.172  2.5893  83.976     33.088   501.243    456.961  81.777     33.175   29.627  10.871  12.005  2.6246  17.62197       11.18308  
1 1 1 6   82  17 o 52.161  4.1334  1519.42    231.606  1118.83    521.586  1617.81    258.487  40.908  11.365  53.691  4.4861  -12.78237      12.21826  
1 1 1 6   82  18 o 46.606  4.4912  1224.37    223.905  1255.74    507.298  1216.78    249.524  43.493  10.815  46.216  5.0680  -2.723232      11.94330  
1 1 1 6   82  19 o 21.220  8.4107  194.472    287.586  0.0000     0.0000   194.472    287.586  ?       ?       21.220  8.4107  0.000000       8.410651  
1 1 1 6   82  20 o 20.171  8.3637  132.099    299.588  0.0000     0.0000   132.099    299.588  ?       ?       20.171  8.3637  0.000000       8.363651  
1 1 1 6   82  21 o 32.589  8.5250  689.422    304.355  0.0000     0.0000   689.422    304.355  ?       ?       32.589  8.5250  0.000000       8.525025  
1 1 1 6   82  22 o 42.056  8.0932  1123.31    355.273  0.0000     0.0000   1123.31    355.273  ?       ?       42.056  8.0932  0.000000       8.093182  
1 1 1 6   83  0  o 201.603 3.9240  22155.64   856.841  22026.09   1214.22  22284.15   1209.31  200.337 5.5959  201.533 5.5401  -1.196548      7.874427  
1 1 1 6   83  1  o 101.669 2.9403  5618.65    323.779  5751.72    458.006  5485.72    457.781  102.683 4.1182  100.263 4.2155  2.419960       5.893189  
1 1 1 6   83  2  o 82.724  3.0893  3721.52    276.797  3777.61    390.591  3664.93    392.316  83.064  4.3567  81.793  4.4451  1.270111       6.224129  
1 1 1 6   83  3  o 114.619 3.0752  7144.90    381.766  7261.45    545.613  7033.11    534.362  115.302 4.3689  113.480 4.3476  1.822609       6.163533  
1 1 1 6   83  4  o 39.715  4.6105  873.847    194.637  1073.27    296.283  722.445    258.156  43.654  6.4615  35.548  6.9540  8.105965       9.492618  
1 1 1 6   83  5  o 15.221  6.2498  44.177     165.111  63.415     267.810  32.381     209.707  19.120  7.9161  16.622  6.9536  2.497515       10.53649  
1 1 1 6   83  6  o 73.112  2.6941  2905.46    213.340  2740.58    263.291  3220.67    364.040  70.926  3.4273  76.617  4.4054  -5.690941      5.581579  
1 1 1 6   83  7  o 89.364  3.0732  4346.56    297.451  4259.34    426.564  4429.12    414.992  88.103  4.4850  90.001  4.2572  -1.898438      6.183771  
1 1 1 6   83  8  o 90.441  2.8864  4450.40    282.746  4166.57    377.696  4812.25    426.457  87.324  3.9934  93.802  4.1975  -6.478783      5.793628  
1 1 1 6   83  9  o 72.888  3.3884  2897.01    267.502  3139.40    386.323  2673.76    370.765  75.483  4.7495  69.585  4.9517  5.898628       6.861306  
1 1 1 6   83  10 o 123.455 3.2474  8309.99    434.231  7862.09    624.528  8729.16    604.168  119.596 4.8213  126.167 4.4212  -6.570702      6.541556  
1 1 1 6   83  11 o 81.599  4.0337  3645.59    356.502  3420.95    466.881  3959.73    552.107  78.489  5.5273  84.254  6.0911  -5.765152      8.225142  
1 1 1 6   83  12 o 59.752  5.5680  1993.55    356.199  1870.83    567.994  2073.10    457.296  56.226  9.6759  60.378  7.1303  -4.152737      12.01936  
1 1 1 6   83  13 o 99.205  4.6129  5424.47    495.646  5632.26    827.743  5308.33    618.858  99.257  7.7613  97.440  5.8916  1.817154       9.744164  
1 1 1 6   83  14 o 79.813  5.8887  3584.98    505.458  0.0000     0.0000   3584.98    505.458  ?       ?       79.813  5.8887  0.000000       5.888664  
1 1 1 6   83  15 o 83.937  3.5328  3872.40    321.180  0.0000     0.0000   3872.40    321.180  ?       ?       83.937  3.5328  0.000000       3.532842  
1 1 1 6   83  16 o 37.275  2.6766  763.794    107.343  930.237    508.063  756.017    109.822  37.517  11.454  37.067  2.7551  0.4499359      11.78032  
1 1 1 6   83  17 o 15.149  6.5815  -8.3747    200.915  63.457     456.655  -25.6170   223.732  22.849  9.9246  15.652  6.8693  7.197076       12.06998  
1 1 1 6   83  18 o 28.208  7.7422  490.147    243.719  0.0000     0.0000   490.147    243.719  ?       ?       28.208  7.7422  0.000000       7.742200  
1 1 1 6   83  19 o 16.822  7.3219  4.2149     249.579  0.0000     0.0000   4.2149     249.579  ?       ?       16.822  7.3219  0.000000       7.321907  
1 1 1 6   83  20 o 46.546  6.9660  1308.32    340.385  0.0000     0.0000   1308.32    340.385  ?       ?       46.546  6.9660  0.000000       6.965959  
1 1 1 6   83  21 o 55.534  5.8743  1811.54    347.966  0.0000     0.0000   1811.54    347.966  ?       ?       55.534  5.8743  0.000000       5.874259  
1 1 1 6   84  0  o 85.267  3.0523  3954.03    281.892  4039.64    403.853  3872.70    393.653  85.890  4.3554  84.096  4.3366  1.794067       6.146199  
1 1 1 6   84  1  o 106.344 3.0381  6150.37    349.934  5991.12    503.800  6298.83    486.419  104.708 4.4423  107.418 4.1808  -2.710342      6.100287  
1 1 1 6   84  2  o 114.468 3.0996  7127.58    384.286  6560.55    551.241  7663.71    536.003  109.517 4.6472  118.480 4.1769  -8.963242      6.248410  
1 1 1 6   84  3  o 127.118 3.1621  8792.72    435.358  8819.82    626.285  8767.37    605.614  126.990 4.5534  126.649 4.4149  0.3409729      6.342278  
1 1 1 6   84  4  o 64.264  3.3480  2254.93    232.231  2076.94    351.652  2392.59    309.265  61.272  5.3526  66.020  4.3493  -4.748432      6.896858  
1 1 1 6   84  5  o 136.202 3.2798  10101.94   483.834  9989.99    691.299  10209.43   677.401  135.045 4.7262  136.568 4.5796  -1.522552      6.581039  
1 1 1 6   84  6  o 156.671 3.4588  13377.78   586.927  13096.50   835.654  13651.63   824.537  154.483 4.9943  157.793 4.8245  -3.309479      6.943983  
1 1 1 6   84  7  o 58.583  3.5576  1878.49    224.664  1383.82    324.990  2331.27    310.924  49.667  6.1746  65.107  4.4356  -15.44095      7.602657  
1 1 1 6   84  8  o 155.225 3.4371  13140.63   577.854  13206.37   827.292  13078.00   807.486  155.041 4.9265  154.328 4.8308  0.7129211      6.899827  
1 1 1 6   84  9  o 24.225  7.0323  334.977    195.391  275.707    310.626  373.781    251.342  24.259  8.9530  25.782  8.0871  -1.522955      12.06471  
1 1 1 6   84  10 o 18.677  7.0689  145.019    196.176  84.233     315.823  183.207    250.326  20.726  8.5900  20.963  7.9729  -0.2368793     11.71987  
1 1 1 6   84  11 o 89.567  3.3424  4379.04    324.249  4213.89    491.446  4506.37    431.496  87.218  5.2265  90.598  4.3973  -3.380280      6.830253  
1 1 1 6   84  12 o 45.570  4.9855  1159.76    242.057  780.672    387.074  1403.21    310.192  35.998  9.7062  49.911  5.8489  -13.91382      11.33225  
1 1 1 6   84  13 o 47.819  6.3184  1303.30    319.237  2131.17    575.892  936.060    383.562  59.933  9.1627  39.374  9.1656  20.55867       12.96008  
1 1 1 6   84  14 o 37.232  9.1910  849.911    368.405  0.0000     0.0000   849.911    368.405  ?       ?       37.232  9.1910  0.000000       9.190970  
1 1 1 6   84  15 o 33.287  7.2232  662.537    252.939  0.0000     0.0000   662.537    252.939  ?       ?       33.287  7.2232  0.000000       7.223246  
1 1 1 6   84  16 o 42.977  5.7882  1064.08    262.577  0.0000     0.0000   1064.08    262.577  ?       ?       42.977  5.7882  0.000000       5.788175  
1 1 1 6   84  17 o 47.437  5.2138  1283.45    263.458  0.0000     0.0000   1283.45    263.458  ?       ?       47.437  5.2138  0.000000       5.213788  
1 1 1 6   84  18 o 37.758  6.5794  847.988    259.290  0.0000     0.0000   847.988    259.290  ?       ?       37.758  6.5794  0.000000       6.579385  
1 1 1 6   84  19 o 33.460  7.8784  700.338    280.796  0.0000     0.0000   700.338    280.796  ?       ?       33.460  7.8784  0.000000       7.878445  
1 1 1 6   84  20 o 34.995  7.8607  771.276    290.664  0.0000     0.0000   771.276    290.664  ?       ?       34.995  7.8607  0.000000       7.860702  
1 1 1 6   84  21 o 26.263  8.7802  437.151    293.497  0.0000     0.0000   437.151    293.497  ?       ?       26.263  8.7802  0.000000       8.780181  
1 1 1 6   85  0  o 47.688  3.7381  1247.38    191.528  1124.87    287.547  1345.07    256.779  44.787  6.0853  49.322  4.8703  -4.535000      7.794282  
1 1 1 6   85  1  o 73.373  3.0863  2929.13    245.267  2877.87    346.203  2980.78    347.521  72.418  4.4352  73.719  4.3719  -1.301796      6.227746  
1 1 1 6   85  2  o 26.072  6.3600  390.204    177.999  485.306    258.574  304.546    245.399  29.015  7.9792  23.958  8.0285  5.057665       11.31917  
1 1 1 6   85  3  o 54.883  3.5998  1648.87    212.798  1959.92    322.634  1409.36    283.108  59.569  5.0481  50.398  5.2641  9.170708       7.293404  
1 1 1 6   85  4  o 76.690  3.1615  3201.64    262.601  3151.39    392.274  3242.44    353.494  75.681  4.8106  76.900  4.2608  -1.218910      6.426158  
1 1 1 6   85  5  o 86.097  2.7416  4030.59    255.654  3984.94    337.856  4091.75    391.049  85.475  3.6494  86.518  4.1731  -1.043152      5.543715  
1 1 1 6   85  6  o 151.704 3.3833  12543.93   555.907  12263.79   792.491  12815.32   780.001  149.477 4.8950  152.876 4.7107  -3.399612      6.793484  
1 1 1 6   85  7  o 124.702 3.1391  8470.87    423.986  8347.60    605.524  8589.45    593.861  123.402 4.5304  125.227 4.3784  -1.824783      6.300427  
1 1 1 6   85  8  o 36.675  5.2910  755.531    204.094  793.930    318.677  728.829    265.746  36.853  8.1958  35.533  7.1525  1.319134       10.87791  
1 1 1 6   85  9  o 63.139  3.6490  2184.65    248.474  2220.63    378.941  2157.52    329.097  63.162  5.5971  62.448  4.9050  0.7138977      7.442237  
1 1 1 6   85  10 o 57.798  2.7023  1818.32    169.165  1674.45    197.541  2213.97    327.593  55.297  3.3135  63.255  4.8178  -7.957993      5.847237  
1 1 1 6   85  11 o 23.617  1.8297  304.650    46.438   299.151    47.163   479.403    265.858  23.396  1.8770  28.625  8.1713  -5.228876      8.384088  
1 1 1 6   85  12 o 21.151  7.5707  223.551    219.852  499.938    364.105  64.964     275.805  29.510  9.7763  19.142  7.9883  10.36805       12.62488  
1 1 1 6   85  13 o 55.565  4.3003  1713.69    256.787  1436.07    414.372  1886.76    327.185  49.362  8.0262  57.978  5.2678  -8.615608      9.600524  
1 1 1 6   85  14 o 54.192  4.5032  1640.44    261.923  982.196    525.165  1858.38    302.190  38.846  11.597  57.547  4.8947  -18.70086      12.58780  
1 1 1 6   85  15 o 57.996  4.9298  1895.11    306.734  0.0000     0.0000   1895.11    306.734  ?       ?       57.996  4.9298  0.000000       4.929825  
1 1 1 6   85  16 o 29.244  7.9815  523.991    259.867  0.0000     0.0000   523.991    259.867  ?       ?       29.244  7.9815  0.000000       7.981454  
1 1 1 6   85  17 o 34.873  7.3137  737.068    267.427  0.0000     0.0000   737.068    267.427  ?       ?       34.873  7.3137  0.000000       7.313700  
1 1 1 6   85  18 f 33.400  7.7716  691.728    275.860  0.0000     0.0000   691.728    275.860  ?       ?       33.400  7.7716  0.000000       7.771623  
1 1 1 6   85  19 o 40.597  6.8195  992.906    289.224  0.0000     0.0000   992.906    289.224  ?       ?       40.597  6.8195  0.000000       6.819454  
1 1 1 6   85  20 o 63.543  5.2728  2327.55    359.614  0.0000     0.0000   2327.55    359.614  ?       ?       63.543  5.2728  0.000000       5.272815  
1 1 1 6   86  0  f 49.534  3.9319  1347.48    209.214  1539.56    314.475  1194.96    280.224  52.614  5.6047  46.256  5.7147  6.357891       8.004409  
1 1 1 6   86  1  o 52.262  3.5662  1495.62    200.658  1428.53    301.261  1549.11    269.016  50.663  5.5828  52.974  4.7387  -2.310940      7.322768  
1 1 1 6   86  2  f 67.793  3.1812  2502.06    233.583  2245.04    347.263  2714.44    315.667  63.766  5.0699  70.360  4.1607  -6.594418      6.558609  
1 1 1 6   86  3  o 38.311  4.5818  814.795    186.349  721.360    287.755  882.284    244.558  35.290  7.7413  39.594  5.8815  -4.303612      9.722095  
1 1 1 6   86  4  o 69.513  3.3123  2632.66    249.385  2751.03    367.885  2532.01    339.222  70.660  4.8360  67.822  4.6459  2.838730       6.706053  
1 1 1 6   86  5  o 40.970  4.5570  930.757    198.790  1047.64    324.803  860.750    251.369  42.799  7.2666  39.003  6.1545  3.796261       9.522672  
1 1 1 6   86  6  o 31.129  1.1881  525.202    40.058   534.971    40.625   182.582    240.596  31.417  1.1939  20.756  7.8350  10.66081       7.925433  
1 1 1 6   86  7  o 53.823  3.7456  1589.92    216.994  1394.62    315.631  1764.97    298.811  49.870  5.9616  56.458  4.9361  -6.588192      7.739901  
1 1 1 6   86  8  o 73.251  3.3856  2927.12    268.606  2757.09    402.752  3063.33    360.486  70.528  5.3114  74.602  4.4821  -4.074028      6.949827  
1 1 1 6   86  9  o 64.356  3.6340  2270.26    252.266  2361.07    385.006  2201.94    333.935  65.136  5.5089  63.059  4.9284  2.077209       7.391726  
1 1 1 6   86  10 o 65.210  3.6771  2333.55    258.652  2328.00    396.016  2337.68    341.571  64.535  5.7251  64.942  4.8920  -0.4068146     7.530502  
1 1 1 6   86  11 o 38.327  5.5297  831.411    222.912  800.028    350.939  852.636    288.613  36.538  8.9408  38.287  7.2247  -1.748985      11.49497  
1 1 1 6   86  12 o 32.355  6.8020  612.766    230.805  438.408    377.846  716.549    291.512  28.181  9.9422  34.685  7.9321  -6.503721      12.71872  
1 1 1 6   86  13 o 49.225  4.8011  1359.06    252.715  1268.61    411.152  1413.98    320.379  45.891  8.5875  49.721  6.0755  -3.830013      10.51934  
1 1 1 6   86  14 o 62.307  2.6936  2122.62    181.780  1861.76    555.209  2153.94    192.383  54.763  9.7163  62.733  2.8314  -7.970451      10.12047  
1 1 1 6   86  15 o 62.563  3.6142  2165.73    243.863  2159.86    563.336  2167.08    270.525  59.361  9.0479  62.426  4.0225  -3.064407      9.901788  
1 1 1 6   86  16 o 34.141  6.6190  692.593    235.927  595.713    490.820  721.703    269.047  31.060  11.286  34.517  7.4175  -3.456364      13.50532  
1 1 1 6   86  17 f 32.385  8.0416  651.711    280.778  0.0000     0.0000   651.711    280.778  ?       ?       32.385  8.0416  0.000000       8.041649  
1 1 1 6   86  18 o 14.066  6.6602  -264.6651  270.075  0.0000     0.0000   -264.6651  270.075  ?       ?       14.066  6.6602  0.000000       6.660237  
1 1 1 6   86  19 o 35.494  8.1568  797.777    307.004  0.0000     0.0000   797.777    307.004  ?       ?       35.494  8.1568  0.000000       8.156835  
1 1 1 6   86  20 o 18.848  7.6569  131.008    244.514  0.0000     0.0000   131.008    244.514  ?       ?       18.848  7.6569  0.000000       7.656860  
1 1 1 6   87  0  o 72.156  2.6494  2830.27    207.055  2713.68    262.325  3022.94    337.226  70.563  3.4323  74.241  4.2111  -3.677704      5.432744  
1 1 1 6   87  1  o 49.946  3.7892  1369.20    203.458  1285.12    295.429  1445.05    280.608  47.944  5.8077  51.040  5.1462  -3.096737      7.759680  
1 1 1 6   87  2  o 22.077  6.8108  271.079    179.106  320.473    262.097  227.804    245.323  24.566  8.2968  21.967  7.9795  2.598938       11.51124  
1 1 1 6   87  3  o 84.820  3.0989  3917.45    284.692  3734.59    418.472  4075.01    388.435  82.396  4.7087  86.323  4.1545  -3.926834      6.279468  
1 1 1 6   87  4  o 89.373  2.7811  4345.22    269.206  4462.19    360.388  4197.56    404.922  90.415  3.6801  87.574  4.2690  2.840813       5.636256  
1 1 1 6   87  5  o 87.970  3.0899  4214.91    294.405  4215.89    436.606  4214.10    398.678  87.556  4.6204  87.751  4.1947  -0.1956406     6.240431  
1 1 1 6   87  6  o 111.397 3.1194  6760.70    376.370  7021.44    542.299  6518.39    522.773  113.184 4.4237  109.053 4.4259  4.130539       6.257613  
1 1 1 6   87  7  o 96.899  3.0961  5115.93    324.938  5167.32    467.076  5067.74    452.342  97.072  4.4425  96.159  4.3432  0.9134293      6.212793  
1 1 1 6   87  8  o 111.064 3.2284  6727.74    388.363  6235.60    560.836  7181.14    538.312  106.448 4.8644  114.418 4.3438  -7.970482      6.521575  
1 1 1 6   87  9  o 123.778 3.2675  8363.32    438.056  7965.89    635.894  8722.26    604.321  120.216 4.8837  125.990 4.4285  -5.774040      6.592644  
1 1 1 6   87  10 o 92.427  3.2239  4666.07    322.734  4780.75    472.834  4566.04    441.594  92.996  4.7097  91.072  4.4768  1.923820       6.497940  
1 1 1 6   87  11 o 65.253  3.8424  2346.19    270.370  2231.19    423.043  2425.59    351.532  62.724  6.3128  65.982  4.9551  -3.258186      8.025194  
1 1 1 6   87  12 o 83.295  3.4686  3807.51    312.926  3473.75    467.178  4079.11    421.436  78.597  5.5230  85.694  4.5570  -7.096901      7.160237  
1 1 1 6   87  13 o 101.888 3.1017  5690.84    342.288  5293.72    475.856  6116.61    492.719  97.617  4.5007  105.028 4.3313  -7.410820      6.246339  
1 1 1 6   87  14 o 57.455  2.5904  1804.03    161.198  2018.27    544.636  1783.46    168.759  57.468  9.0494  57.099  2.7288  0.3690796      9.451870  
1 1 1 6   87  15 o 18.312  1.7163  183.954    33.643   185.872    34.118   116.461    202.358  18.406  1.7318  17.789  7.0538  0.6160870      7.263264  
1 1 1 6   87  16 o 21.719  6.9663  273.798    185.637  535.917    479.160  227.507    201.363  29.886  11.102  20.541  7.2568  9.345169       13.26304  
1 1 1 6   87  17 o 53.354  5.6659  1643.01    322.414  0.0000     0.0000   1643.01    322.414  ?       ?       53.354  5.6659  0.000000       5.665920  
1 1 1 6   87  18 o 56.386  5.7468  1844.94    346.058  0.0000     0.0000   1844.94    346.058  ?       ?       56.386  5.7468  0.000000       5.746764  
1 1 1 6   87  19 o 26.451  8.8229  438.232    296.372  0.0000     0.0000   438.232    296.372  ?       ?       26.451  8.8229  0.000000       8.822946  
1 1 1 6   88  0  o 33.116  5.1529  616.525    178.812  516.880    265.717  698.995    241.736  29.834  8.0410  34.949  6.6287  -5.114876      10.42105  
1 1 1 6   88  1  o 24.310  6.2409  339.504    165.164  207.789    230.079  479.543    237.238  21.137  7.7199  28.766  7.5273  -7.629187      10.78232  
1 1 1 6   88  2  o 70.030  3.2501  2672.25    246.518  2729.10    361.137  2622.66    337.336  70.369  4.7664  69.034  4.5369  1.335060       6.580393  
1 1 1 6   88  3  o 166.387 3.5339  15103.52   636.855  15381.28   905.646  14831.81   895.733  167.297 4.9980  164.264 5.0346  3.032928       7.094190  
1 1 1 6   88  4  o 39.927  4.7516  886.876    201.447  817.084    306.004  940.257    267.617  37.523  7.7845  40.750  6.2639  -3.227337      9.991770  
1 1 1 6   88  5  o 74.517  3.2294  3026.49    260.649  2909.23    392.270  3119.19    348.778  72.567  5.0218  75.348  4.2915  -2.781273      6.605676  
1 1 1 6   88  6  f 45.745  4.2487  1155.93    208.105  1114.90    311.534  1188.98    279.651  44.283  6.7051  46.040  5.7321  -1.757332      8.821313  
1 1 1 6   88  7  o 93.291  3.1214  4744.89    315.399  4871.71    453.919  4626.51    438.560  94.207  4.4486  91.816  4.4100  2.390709       6.264058  
1 1 1 6   88  8  f 80.932  3.2978  3575.87    289.083  3611.28    430.386  3546.76    390.209  80.787  4.9424  80.202  4.5103  0.5847778      6.691105  
1 1 1 6   88  9  o 142.585 3.4043  11114.37   525.749  10715.95   757.597  11484.50   730.203  139.239 5.0235  144.344 4.6706  -5.104538      6.859321  
1 1 1 6   88  10 o 77.802  3.3799  3313.14    284.820  3236.54    421.919  3377.27    386.059  76.211  5.1415  78.080  4.5852  -1.868721      6.889021  
1 1 1 6   88  11 o 74.696  3.6094  3063.78    292.017  2912.09    452.372  3172.16    382.351  71.805  5.8679  75.511  4.6983  -3.706276      7.517045  
1 1 1 6   88  12 o 49.464  4.7264  1372.70    250.135  1227.52    397.224  1468.10    321.993  45.106  8.4410  50.658  5.9840  -5.552315      10.34692  
1 1 1 6   88  13 o 68.039  2.8495  2533.82    209.992  2235.29    457.440  2613.52    236.369  62.006  6.9298  69.017  3.1620  -7.010540      7.617126  
1 1 1 6   88  14 o 65.613  4.2603  2399.94    301.121  2567.13    580.439  2338.37    352.226  65.323  8.3985  64.371  5.0936  0.9514389      9.822381  
1 1 1 6   88  15 o 51.984  3.9054  1505.21    218.282  734.779    536.900  1657.77    238.919  33.627  11.853  54.502  4.0768  -20.87466      12.53429  
1 1 1 6   88  16 o 37.078  5.9711  804.841    231.652  0.0000     0.0000   804.841    231.652  ?       ?       37.078  5.9711  0.000000       5.971066  
1 1 1 6   88  17 o 44.989  5.9910  1183.20    284.667  0.0000     0.0000   1183.20    284.667  ?       ?       44.989  5.9910  0.000000       5.990967  
1 1 1 6   88  18 o 31.109  7.8647  608.319    265.145  0.0000     0.0000   608.319    265.145  ?       ?       31.109  7.8647  0.000000       7.864730  
1 1 1 6   88  19 o 22.466  7.9827  289.357    244.003  0.0000     0.0000   289.357    244.003  ?       ?       22.466  7.9827  0.000000       7.982697  
1 1 1 6   89  0  o 79.636  3.1914  3455.20    275.271  3373.28    403.888  3526.25    376.171  78.254  4.7883  80.132  4.3505  -1.877632      6.469522  
1 1 1 6   89  1  o 80.417  3.1253  3522.47    272.216  3239.14    391.559  3787.51    378.705  76.688  4.7373  83.086  4.2221  -6.398102      6.345747  
1 1 1 6   89  2  o 97.523  3.1379  5180.98    331.450  4976.61    472.516  5378.95    465.055  95.265  4.5794  99.106  4.3324  -3.840691      6.304069  
1 1 1 6   89  3  f 90.874  2.8172  4493.84    277.282  4219.76    376.021  4820.52    410.517  87.854  3.9517  93.881  4.0372  -6.026428      5.649323  
1 1 1 6   89  4  o 105.936 3.1149  6114.64    357.398  6024.61    522.641  6193.72    489.828  104.776 4.6054  106.340 4.2528  -1.563568      6.268693  
1 1 1 6   89  5  f 72.051  3.3598  2832.38    262.196  2847.79    383.057  2818.79    359.650  71.773  4.9580  71.487  4.6707  0.2863007      6.811486  
1 1 1 6   89  6  f 45.234  2.4231  1115.77    118.284  1085.56    129.820  1263.45    287.029  44.578  2.7015  47.448  5.6992  -2.870567      6.307052  
1 1 1 6   89  7  o 42.768  4.5930  1017.11    209.425  1016.77    317.449  1017.38    278.669  41.985  7.2425  42.309  6.2709  -0.3242989     9.580095  
1 1 1 6   89  8  o 17.219  6.8579  93.568     192.059  -36.6739   309.722  174.938    244.810  18.570  8.1177  20.544  7.8676  -1.974150      11.30473  
1 1 1 6   89  9  o 37.788  1.4862  774.873    60.829   785.012    62.248   560.035    286.544  38.033  1.5111  30.655  8.3871  7.377836       8.522149  
1 1 1 6   89  10 o 24.260  1.3206  320.266    34.571   321.734    34.886   240.118    257.758  24.315  1.3297  22.158  8.1592  2.157293       8.266882  
1 1 1 6   89  11 o 35.209  1.8089  675.711    68.747   683.654    70.843   547.416    284.710  35.410  1.8536  30.058  8.4131  5.352249       8.614861  
1 1 1 6   89  12 o 54.895  2.5742  1645.84    153.054  1741.36    414.010  1630.71    164.723  54.556  7.1810  54.531  2.7984  0.2440262E-01  7.706971  
1 1 1 6   89  13 o 68.532  3.8315  2601.40    283.261  2692.23    460.980  2546.30    359.042  68.463  6.2869  67.297  4.9608  1.166275       8.008416  
1 1 1 6   89  14 o 39.787  2.3495  867.158    100.797  841.006    106.488  1092.39    312.515  39.146  2.5251  42.985  6.9497  -3.839069      7.394186  
1 1 1 6   89  15 o 37.223  5.2817  796.572    206.966  617.355    508.888  832.090    226.549  31.440  11.481  37.886  5.6974  -6.445745      12.81734  
1 1 1 6   89  16 o 14.038  6.3840  -99.0004   212.397  0.0000     0.0000   -99.0004   212.397  ?       ?       14.038  6.3840  0.000000       6.383968  
1 1 1 6   89  17 o 49.968  6.0296  1459.60    319.731  0.0000     0.0000   1459.60    319.731  ?       ?       49.968  6.0296  0.000000       6.029619  
1 1 1 6   89  18 o 74.939  4.9008  3194.91    395.590  0.0000     0.0000   3194.91    395.590  ?       ?       74.939  4.9008  0.000000       4.900788  
1 1 1 6   90  0  o 32.691  5.2768  602.862    180.476  637.833    292.549  581.375    229.312  33.005  8.2158  31.725  6.8723  1.280376       10.71111  
1 1 1 6   90  1  o 16.844  6.4769  108.184    166.329  -113.4036  223.296  384.376    249.295  14.593  6.6002  26.060  8.0345  -11.46718      10.39789  
1 1 1 6   90  2  o 21.656  6.8322  259.312    179.125  379.389    275.138  170.977    235.987  26.152  8.4904  20.350  7.7409  5.801346       11.48951  
1 1 1 6   90  3  o 92.742  3.0711  4686.90    308.491  4772.33    450.824  4611.67    423.044  93.263  4.4630  91.734  4.2578  1.529892       6.168240  
1 1 1 6   90  4  o 69.494  3.3060  2635.00    248.839  2666.68    377.691  2610.71    330.778  69.390  5.0602  68.825  4.4614  0.5654907      6.746094  
1 1 1 6   90  5  o 43.283  4.4542  1039.36    205.829  1082.41    318.142  1008.37    269.935  43.460  6.9961  42.196  6.0819  1.263641       9.270159  
1 1 1 6   90  6  o 29.030  6.4035  487.998    195.938  755.121    309.296  308.937    253.233  35.782  8.1613  23.983  8.1550  11.79901       11.53742  
1 1 1 6   90  7  o 89.004  3.1876  4326.46    307.283  4300.20    449.738  4349.45    420.828  88.170  4.7267  88.911  4.3700  -0.7411346     6.437244  
1 1 1 6   90  8  o 67.020  3.5835  2468.32    259.181  2466.73    393.524  2469.54    344.436  66.343  5.5268  66.655  4.8032  -0.3115158     7.322313  
1 1 1 6   90  9  o 56.560  3.9984  1769.67    243.367  1772.45    377.387  1767.69    318.423  55.729  6.3665  56.087  5.3046  -0.3586273     8.286847  
1 1 1 6   90  10 o 59.571  3.9627  1965.23    254.220  1682.89    395.380  2164.22    331.930  53.883  6.9358  62.141  4.9734  -8.258396      8.534575  
1 1 1 6   90  11 o 87.418  3.3961  4198.32    321.549  3933.09    482.759  4409.81    431.094  83.575  5.3615  89.018  4.4856  -5.442932      6.990425  
1 1 1 6   90  12 o 60.894  2.7644  2028.23    182.321  1910.41    212.363  2358.55    355.575  58.873  3.3442  64.711  5.1149  -5.838573      6.111098  
1 1 1 6   90  13 o 83.533  3.6099  3848.17    326.603  3659.50    503.284  3985.43    429.268  80.121  5.8398  84.356  4.7172  -4.235001      7.507032  
1 1 1 6   90  14 o 51.427  5.2396  1504.94    287.772  1458.55    544.274  1522.94    339.037  47.138  10.881  51.236  6.2382  -4.097504      12.54242  
1 1 1 6   90  15 o 30.123  6.0980  537.302    192.133  0.0000     0.0000   537.302    192.133  ?       ?       30.123  6.0980  0.000000       6.098030  
1 1 1 6   90  16 o 61.283  5.0044  2136.22    329.267  0.0000     0.0000   2136.22    329.267  ?       ?       61.283  5.0044  0.000000       5.004361  
1 1 1 6   90  17 o 25.967  8.5797  415.354    280.497  0.0000     0.0000   415.354    280.497  ?       ?       25.967  8.5797  0.000000       8.579691  
1 1 1 6   90  18 o 16.844  7.4839  -38.3241   273.426  0.0000     0.0000   -38.3241   273.426  ?       ?       16.844  7.4839  0.000000       7.483881  
1 1 1 6   91  0  o 75.156  3.2131  3080.31    261.552  2722.16    373.859  3423.65    366.047  70.151  4.9522  78.904  4.2994  -8.753220      6.558159  
1 1 1 6   91  1  o 20.083  6.5667  217.803    164.477  101.865    258.904  296.256    212.975  19.460  7.8883  23.170  7.4648  -3.710041      10.86039  
1 1 1 6   91  2  o 60.606  2.4938  1997.77    163.701  2005.63    189.106  1974.27    326.984  60.681  2.8773  59.630  5.1122  1.050804       5.866281  
1 1 1 6   91  3  o 48.954  3.9847  1320.98    209.446  1159.32    320.853  1441.02    276.478  45.080  6.7813  50.874  5.0857  -5.794357      8.476452  
1 1 1 6   91  4  o 101.687 3.1319  5641.05    344.935  5460.51    506.433  5797.28    471.104  99.593  4.6949  102.775 4.2321  -3.182289      6.320834  
1 1 1 6   91  5  o 11.675  5.4685  -167.9105  173.465  -476.4185  279.011  26.471     221.470  12.843  6.2525  16.786  7.0908  -3.943440      9.453706  
1 1 1 6   91  6  o 78.548  3.2441  3371.88    275.996  3452.57    402.920  3300.54    378.828  78.946  4.7340  77.249  4.5478  1.697037       6.564541  
1 1 1 6   91  7  o 59.098  3.7300  1923.66    237.533  2186.34    356.824  1714.62    318.309  62.497  5.3221  55.273  5.3854  7.223385       7.571474  
1 1 1 6   91  8  o 83.266  3.3188  3798.13    299.308  3607.28    446.795  3953.51    403.134  80.348  5.1614  84.471  4.4216  -4.123604      6.796403  
1 1 1 6   91  9  o 27.512  6.8635  448.311    203.847  313.892    316.052  544.061    266.745  24.655  9.0415  30.055  8.0381  -5.399805      12.09788  
1 1 1 6   91  10 o 26.848  7.1753  429.487    212.650  764.589    347.728  229.298    268.764  35.192  9.0668  21.987  8.2854  13.20490       12.28223  
1 1 1 6   91  11 o 69.352  3.7529  2658.97    280.854  2734.24    428.072  2602.09    372.150  69.396  5.7470  68.028  5.0876  1.367950       7.675416  
1 1 1 6   91  12 o 84.550  3.4979  3935.91    320.329  3760.80    481.773  4074.67    428.858  81.517  5.4886  85.375  4.6554  -3.858086      7.197005  
1 1 1 6   91  13 o 24.674  7.6922  361.440    227.789  217.420    358.083  459.334    295.224  23.218  9.3239  27.527  8.7804  -4.309681      12.80748  
1 1 1 6   91  14 o 25.456  8.1819  388.769    255.973  479.624    494.259  355.469    299.228  29.088  11.170  24.953  8.8428  4.135105       14.24639  
1 1 1 6   91  15 o 39.117  6.6179  909.123    270.390  0.0000     0.0000   909.123    270.390  ?       ?       39.117  6.6179  0.000000       6.617939  
1 1 1 6   91  16 o 36.717  7.1677  819.355    274.823  0.0000     0.0000   819.355    274.823  ?       ?       36.717  7.1677  0.000000       7.167735  
1 1 1 6   91  17 o 19.583  7.7603  160.264    244.788  0.0000     0.0000   160.264    244.788  ?       ?       19.583  7.7603  0.000000       7.760274  
1 1 1 6   92  0  o 73.202  3.2263  2924.47    255.800  2996.77    381.746  2865.55    344.610  73.606  4.8149  72.085  4.4353  1.521210       6.546426  
1 1 1 6   92  1  o 53.910  3.8349  1599.10    222.457  1448.57    313.823  1751.14    315.387  50.771  5.8116  56.052  5.2563  -5.281219      7.836026  
1 1 1 6   92  2  o 26.942  6.2093  420.195    177.472  441.180    259.093  401.647    243.590  27.559  8.1261  26.389  7.9028  1.169558       11.33525  
1 1 1 6   92  3  o 59.962  3.4428  1972.02    222.652  1925.95    346.465  2004.43    290.605  58.679  5.5162  60.191  4.4899  -1.512035      7.112484  
1 1 1 6   92  4  o 45.242  2.0747  1112.55    101.663  1112.07    110.119  1115.27    264.555  45.218  2.2484  44.461  5.6191  0.7565575      6.052295  
1 1 1 6   92  5  o 84.677  3.2229  3919.73    295.589  4099.09    434.700  3765.48    403.134  86.027  4.6830  82.502  4.5288  3.525131       6.514633  
1 1 1 6   92  6  o 32.365  5.8098  602.094    196.178  595.950    296.576  606.874    261.583  31.521  8.4949  31.970  7.6556  -0.4494934     11.43549  
1 1 1 6   92  7  o 70.624  3.3843  2734.09    258.877  2564.24    376.370  2886.60    356.640  67.671  5.1742  72.066  4.5930  -4.394821      6.918681  
1 1 1 6   92  8  o 26.199  7.0453  406.440    204.260  476.179    327.171  361.894    261.480  28.398  9.2604  25.139  8.2827  3.258167       12.42409  
1 1 1 6   92  9  o 58.068  3.9053  1867.49    244.196  1715.53    368.150  1986.89    326.312  54.667  6.3351  59.442  5.1183  -4.775093      8.144351  
1 1 1 6   92  10 o 57.826  4.0697  1857.00    253.268  2014.45    398.553  1750.35    328.013  59.246  6.3080  55.556  5.5245  3.689766       8.385113  
1 1 1 6   92  11 o 53.066  4.4321  1574.68    252.407  1443.18    392.274  1667.59    329.732  49.335  7.5839  54.070  5.7171  -4.734413      9.497430  
1 1 1 6   92  12 o 17.992  7.2789  102.577    219.991  294.969    354.924  -17.4502   280.337  24.587  9.4595  17.628  7.7140  6.959049       12.20608  
1 1 1 6   92  13 o 49.385  4.9438  1382.23    260.887  1308.38    416.978  1429.74    334.430  46.027  8.6826  49.528  6.3827  -3.501137      10.77624  
1 1 1 6   92  14 o 57.543  5.8069  1907.68    356.966  0.0000     0.0000   1907.68    356.966  ?       ?       57.543  5.8069  0.000000       5.806940  
1 1 1 6   92  15 o 77.907  4.4212  3409.09    371.527  0.0000     0.0000   3409.09    371.527  ?       ?       77.907  4.4212  0.000000       4.421178  
1 1 1 6   92  16 o 21.517  8.0548  238.966    253.198  0.0000     0.0000   238.966    253.198  ?       ?       21.517  8.0548  0.000000       8.054850  
1 1 1 6   93  0  o 73.743  3.3887  2973.66    270.657  2847.40    381.484  3101.64    384.061  71.610  4.9489  74.818  4.7642  -3.208603      6.869419  
1 1 1 6   93  1  o 106.738 3.0721  6220.02    355.164  6174.67    507.303  6263.62    497.400  105.891 4.4232  106.698 4.3041  -0.8069305     6.171682  
1 1 1 6   93  2  o 28.721  1.8492  449.913    57.218   434.749    59.149   670.945    225.820  28.220  1.9471  34.100  6.3477  -5.880630      6.639613  
1 1 1 6   93  3  o 37.419  4.9641  787.905    196.226  995.625    307.878  645.802    254.649  41.420  7.1193  33.145  7.2915  8.275276       10.19075  
1 1 1 6   93  4  o 50.969  3.7785  1433.74    207.107  1413.83    332.223  1446.39    264.874  49.801  6.3000  50.886  4.8652  -1.084267      7.959944  
1 1 1 6   93  5  o 5.8956  2.5289  -1.8526    28.929   -5.1910    29.142   224.145    239.773  5.7555  2.5036  21.457  7.8742  -15.70161      8.262634  
1 1 1 6   93  6  o 106.346 3.1598  6191.83    363.962  6094.63    525.592  6281.38    504.496  104.859 4.6278  106.586 4.3701  -1.727158      6.365045  
1 1 1 6   93  7  o 39.958  5.0329  902.492    212.988  792.383    305.547  1006.56    297.055  36.327  7.9835  41.551  6.8386  -5.224037      10.51204  
1 1 1 6   93  8  o 71.143  2.8305  2766.93    218.103  2491.73    270.257  3280.90    369.341  67.183  3.7287  76.817  4.4583  -9.634537      5.812037  
1 1 1 6   93  9  o 66.823  3.6442  2464.71    262.754  2568.50    394.448  2381.92    352.295  67.450  5.4457  65.134  5.0328  2.316345       7.415195  
1 1 1 6   93  10 o 53.315  4.3333  1586.53    248.064  1464.83    393.357  1666.89    319.636  49.770  7.5326  54.167  5.5256  -4.396778      9.341999  
1 1 1 6   93  11 o 65.995  2.7429  2383.13    196.062  2342.74    232.729  2481.86    363.905  65.203  3.3063  66.341  5.1036  -1.138603      6.080998  
1 1 1 6   93  12 o 41.337  5.6759  984.693    247.414  696.397    403.321  1158.64    313.285  32.980  10.228  44.391  6.7266  -11.41167      12.24173  
1 1 1 6   93  13 o 38.058  7.2598  871.477    288.340  991.154    704.190  847.371    316.049  37.496  13.535  37.095  8.0937  0.4005966      15.77000  
1 1 1 6   93  14 o 22.492  8.9987  214.931    332.164  0.0000     0.0000   214.931    332.164  ?       ?       22.492  8.9987  0.000000       8.998688  
1 1 1 6   93  15 o 17.883  7.5712  58.124     253.424  0.0000     0.0000   58.124     253.424  ?       ?       17.883  7.5712  0.000000       7.571162  
1 1 1 6   93  16 o 21.549  9.1177  122.846    367.166  0.0000     0.0000   122.846    367.166  ?       ?       21.549  9.1177  0.000000       9.117698  
1 1 1 6   94  0  o 78.559  3.1645  3374.39    269.259  3472.83    379.554  3274.65    382.039  79.214  4.4418  76.850  4.6111  2.364250       6.402463  
1 1 1 6   94  1  o 28.273  6.2751  465.807    187.144  519.462    276.845  420.657    253.958  29.536  8.3063  26.808  8.0786  2.727978       11.58694  
1 1 1 6   94  2  o 86.496  3.0967  4090.39    290.109  4186.73    418.086  4000.93    402.888  86.963  4.4537  85.033  4.3894  1.929916       6.253189  
1 1 1 6   94  3  o 123.932 3.1979  8405.63    429.257  8728.72    621.416  8110.75    593.657  125.610 4.5676  121.106 4.5259  4.504799       6.430104  
1 1 1 6   94  4  o 71.523  3.3099  2803.03    256.405  2912.92    386.045  2716.29    342.984  72.230  4.9647  69.906  4.5548  2.324020       6.737554  
1 1 1 6   94  5  o 59.210  3.8746  1938.09    247.109  1616.19    360.461  2223.51    339.416  53.105  6.3956  63.018  5.0143  -9.913002      8.126865  
1 1 1 6   94  6  o 44.047  4.5368  1086.01    213.347  1009.16    319.562  1147.80    286.564  41.368  7.4039  44.747  6.0694  -3.378361      9.573683  
1 1 1 6   94  7  o 15.723  6.6248  30.970     192.541  -246.1272  277.669  287.604    267.220  14.755  6.9134  23.336  8.3472  -8.581333      10.83844  
1 1 1 6   94  8  o 36.466  5.7219  764.562    218.554  861.836    347.779  701.072    280.966  37.529  8.7219  34.138  7.7730  3.390347       11.68293  
1 1 1 6   94  9  o 21.552  7.4208  253.440    209.809  67.878     341.855  365.574    265.746  20.634  8.7676  25.155  8.3529  -4.521780      12.10956  
1 1 1 6   94  10 o 66.554  3.7967  2453.01    272.549  2146.20    424.286  2668.55    355.626  60.933  6.5307  68.984  4.7893  -8.051373      8.098597  
1 1 1 6   94  11 o 84.250  3.5738  3915.01    326.116  3701.62    504.483  4068.19    427.430  80.544  5.8221  85.235  4.6475  -4.691223      7.449531  
1 1 1 6   94  12 o 43.730  1.6500  1039.94    78.151   1100.75    111.912  982.052    109.183  44.842  2.3121  42.333  2.3911  2.509468       3.326087  
1 1 1 6   94  13 o 39.918  8.6768  996.630    364.439  1072.38    716.514  970.193    423.281  38.490  13.679  38.566  10.037  -0.7534409E-01 16.96612  
1 1 1 6   94  14 f 19.798  8.8542  -54.9546   389.360  0.0000     0.0000   -54.9546   389.360  ?       ?       19.798  8.8542  0.000000       8.854175  
1 1 1 6   94  15 o 29.444  7.7977  538.235    252.612  0.0000     0.0000   538.235    252.612  ?       ?       29.444  7.7977  0.000000       7.797710  
1 1 1 6   95  0  o 55.446  3.5601  1693.96    212.669  1626.56    305.674  1757.19    296.073  53.763  5.3191  56.045  4.9275  -2.281132      7.250739  
1 1 1 6   95  1  o 83.090  3.1365  3778.20    282.269  3480.01    399.141  4076.54    399.237  79.112  4.6790  85.919  4.2901  -6.807159      6.348087  
1 1 1 6   95  2  o 14.157  6.0522  5.0080     164.704  291.944    278.683  -149.0151  204.179  23.683  8.5188  13.195  6.0957  10.48770       10.47503  
1 1 1 6   95  3  o 32.930  5.7085  623.914    196.227  495.013    310.938  709.228    252.962  28.825  8.9873  34.726  6.9679  -5.900568      11.37203  
1 1 1 6   95  4  o 85.702  3.2252  4024.02    299.372  3964.42    436.192  4077.10    411.628  84.352  4.7941  85.712  4.4493  -1.359612      6.540595  
1 1 1 6   95  5  o 73.941  3.3734  2999.34    270.158  3281.60    402.850  2768.65    364.190  76.665  4.8769  70.427  4.8031  6.237778       6.844955  
1 1 1 6   95  6  o 66.103  3.6103  2409.45    257.506  2208.05    389.046  2566.47    343.525  62.383  5.8254  67.814  4.7062  -5.431084      7.488853  
1 1 1 6   95  7  o 84.882  3.2586  3952.49    299.587  3605.69    434.449  4266.92    413.674  80.226  5.0251  87.755  4.3523  -7.528427      6.647899  
1 1 1 6   95  8  o 20.932  7.2401  236.535    199.827  356.163    310.437  151.901    261.114  25.376  9.0054  20.144  8.0047  5.231764       12.04880  
1 1 1 6   95  9  o 63.460  3.8787  2232.51    265.321  1910.33    411.075  2462.56    347.361  57.356  6.7461  66.227  4.8769  -8.871620      8.324281  
1 1 1 6   95  10 o 27.591  1.1937  413.090    35.672   281.006    355.363  414.435    35.853   24.328  9.4357  27.635  1.1978  -3.307526      9.511438  
1 1 1 6   95  11 o 49.208  4.8854  1370.03    256.933  1132.81    417.908  1514.18    325.777  42.394  9.3524  51.228  5.9842  -8.834038      11.10305  
1 1 1 6   95  12 o 49.394  5.7844  1406.89    303.597  1244.09    732.741  1440.63    333.577  41.139  13.873  49.694  6.3423  -8.554707      15.25365  
1 1 1 6   95  13 o 30.485  9.5785  592.941    352.431  310.253    710.432  685.218    405.896  28.943  12.475  32.406  10.291  -3.462601      16.17206  
1 1 1 6   95  14 o 24.608  9.9184  271.252    406.807  0.0000     0.0000   271.252    406.807  ?       ?       24.608  9.9184  0.000000       9.918405  
1 1 1 6   96  0  o 38.123  5.0588  821.972    203.729  965.203    294.634  690.751    282.012  40.676  6.9365  33.979  7.8245  6.697067       10.45645  
1 1 1 6   96  1  o 68.058  3.3954  2540.32    250.286  2411.70    363.250  2656.57    345.345  65.595  5.1544  69.078  4.6427  -3.483429      6.937047  
1 1 1 6   96  2  f 56.153  3.6508  1739.93    220.832  1752.56    321.690  1728.66    303.693  55.755  5.3945  55.481  5.1113  0.2738991      7.431380  
1 1 1 6   96  3  o 24.043  1.5510  315.213    40.174   315.252    40.744   313.854    241.063  24.043  1.5733  23.689  7.9571  0.3531723      8.111196  
1 1 1 6   96  4  o 45.322  4.3407  1146.18    210.473  1119.52    326.821  1165.07    275.119  43.731  7.1469  45.211  5.7483  -1.479664      9.171719  
1 1 1 6   96  5  o 17.986  6.9450  131.523    191.854  274.215    302.110  35.086     248.363  23.575  8.8038  17.631  7.4815  5.944674       11.55335  
1 1 1 6   96  6  o 65.024  3.5521  2331.75    249.217  2229.44    364.142  2421.90    341.810  62.840  5.4026  65.777  4.8316  -2.936886      7.247949  
1 1 1 6   96  7  o 79.111  3.3710  3438.32    288.841  3507.88    429.845  3381.05    390.018  79.067  5.0457  77.824  4.6483  1.242828       6.860392  
1 1 1 6   96  8  o 46.946  4.5490  1236.70    228.403  1081.98    348.071  1353.71    302.686  42.462  7.8576  48.597  5.8695  -6.134254      9.807807  
1 1 1 6   96  9  o 105.772 3.1323  6142.39    358.847  5884.04    500.237  6416.28    515.059  102.786 4.4933  107.377 4.4287  -4.590569      6.308995  
1 1 1 6   96  10 o 34.772  6.2892  710.512    228.145  547.987    373.428  807.303    288.181  29.786  9.9022  36.564  7.5277  -6.778051      12.43864  
1 1 1 6   96  11 f 20.928  7.6782  224.649    227.961  54.962     385.248  316.076    282.782  21.227  9.1679  23.905  8.5830  -2.677702      12.55859  
1 1 1 6   96  12 f 25.181  9.2888  351.785    334.286  96.733     702.548  426.429    380.067  26.944  11.983  27.108  9.9189  -0.1639729     15.55539  
1 1 1 6   96  13 o 17.906  8.2452  -186.2375  369.249  0.0000     0.0000   -186.2375  369.249  ?       ?       17.906  8.2452  0.000000       8.245222  
1 1 1 6   97  0  o 68.034  3.2681  2537.02    240.819  2248.35    344.687  2812.31    336.597  63.333  5.0673  71.163  4.3884  -7.830387      6.703455  
1 1 1 6   97  1  o 76.436  3.2336  3201.81    267.703  2873.01    396.746  3476.62    362.718  71.591  5.1510  79.206  4.2435  -7.614967      6.673859  
1 1 1 6   97  2  o 57.098  3.6122  1799.04    222.241  1944.25    347.549  1698.59    289.063  58.654  5.5362  55.046  4.8996  3.608170       7.392971  
1 1 1 6   97  3  o 69.585  3.2496  2654.77    244.915  2760.79    367.805  2570.32    328.279  70.277  4.8620  67.957  4.4853  2.319893       6.614880  
1 1 1 6   97  4  o 68.240  2.6912  2543.89    198.909  2471.10    238.374  2710.75    360.930  67.116  3.2792  69.630  4.8154  -2.514168      5.825877  
1 1 1 6   97  5  o 28.095  6.7252  468.059    201.925  452.672    315.449  478.741    262.829  27.682  9.0962  28.196  8.1477  -0.5137100     12.21177  
1 1 1 6   97  6  o 49.856  4.1825  1385.00    223.761  1077.09    330.490  1645.62    304.053  42.630  7.4277  53.949  5.2708  -11.31946      9.107804  
1 1 1 6   97  7  o 41.184  5.0385  961.971    220.061  888.486    340.411  1014.73    288.434  38.104  8.4679  41.673  6.6111  -3.568207      10.74301  
1 1 1 6   97  8  o 49.349  4.4162  1364.43    233.553  1062.36    355.943  1592.81    309.496  41.845  8.1466  52.892  5.4821  -11.04721      9.819438  
1 1 1 6   97  9  o 73.262  3.6415  2962.70    288.953  2642.95    445.188  3195.47    379.833  67.802  6.1284  75.498  4.6679  -7.695999      7.703677  
1 1 1 6   97  10 o 19.318  7.3869  168.305    215.603  356.418    361.803  64.720     268.480  25.722  9.6287  18.551  7.8200  7.171892       12.40420  
1 1 1 6   97  11 o 18.387  7.7022  74.675     257.790  349.216    674.773  27.757     278.949  29.153  12.349  18.176  7.8256  10.97725       14.61996  
1 1 1 6   97  12 o 46.015  7.8049  1284.35    375.083  954.688    743.455  1396.91    434.424  36.815  13.798  47.384  8.7883  -10.56889      16.35930  
1 1 1 6   97  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   98  0  o 53.683  3.9096  1597.07    225.758  1500.49    304.939  1714.20    335.833  51.431  5.5628  54.934  5.7286  -3.503471      7.985061  
1 1 1 6   98  1  o 52.396  3.8356  1520.59    216.154  1601.77    310.625  1444.38    300.980  53.189  5.4699  50.427  5.6055  2.761288       7.832074  
1 1 1 6   98  2  o 38.620  4.9976  844.486    204.143  868.318    313.479  826.938    269.001  38.057  7.8652  37.522  6.8723  0.5344620      10.44458  
1 1 1 6   98  3  o 35.949  5.3991  738.937    203.727  363.244    320.137  994.633    264.108  25.704  9.1426  41.565  6.0436  -15.86046      10.95957  
1 1 1 6   98  4  o 57.869  3.7865  1853.53    236.023  2002.48    355.761  1736.43    315.438  59.425  5.5931  55.425  5.3199  4.000111       7.719116  
1 1 1 6   98  5  o 75.972  3.3989  3172.22    279.677  2697.43    413.938  3571.01    379.367  69.004  5.5864  80.105  4.3892  -11.10059      7.104452  
1 1 1 6   98  6  o 38.136  5.5529  834.911    222.630  620.551    330.838  1012.31    300.969  31.630  9.1417  41.457  6.9486  -9.827200      11.48271  
1 1 1 6   98  7  o 44.977  4.5865  1138.00    220.302  1100.15    327.692  1169.21    297.588  43.047  7.2884  44.887  6.2941  -1.839752      9.629942  
1 1 1 6   98  8  o 40.925  5.1770  955.002    224.343  864.372    344.683  1021.62    295.504  37.334  8.6873  41.643  6.7853  -4.308929      11.02311  
1 1 1 6   98  9  o 61.351  4.0187  2095.89    265.564  2090.97    416.675  2099.25    344.626  59.973  6.5197  60.800  5.2859  -0.8272285     8.393236  
1 1 1 6   98  10 o 37.648  6.7634  842.348    265.655  665.108    600.770  885.428    296.185  32.613  12.364  38.303  7.4072  -5.690804      14.41298  
1 1 1 6   98  11 o 28.769  9.3708  513.255    335.051  998.369    700.968  369.602    381.446  37.578  13.511  26.110  9.8631  11.46763       16.72817  
1 1 1 6   98  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   99  0  o 51.043  3.9485  1446.12    216.595  1562.91    325.298  1353.11    290.304  52.351  5.8364  48.771  5.5970  3.579548       8.086416  
1 1 1 6   99  1  o 73.493  2.8129  2953.75    223.906  2761.76    274.224  3337.76    387.826  70.762  3.5897  77.346  4.6511  -6.584724      5.875237  
1 1 1 6   99  2  o 67.112  3.4825  2482.71    252.275  2764.46    378.399  2257.29    338.472  70.186  5.0106  63.408  4.9681  6.777458       7.056126  
1 1 1 6   99  3  o 42.599  4.5083  1018.73    204.849  903.038    304.066  1114.89    277.195  38.917  7.4854  44.032  5.9659  -5.114552      9.572042  
1 1 1 6   99  4  o 30.850  6.5168  562.053    210.923  451.843    312.226  654.570    286.068  27.562  9.0493  32.774  8.1042  -5.212328      12.14776  
1 1 1 6   99  5  o 32.535  6.1193  618.950    207.718  704.699    322.687  558.277    271.433  33.751  8.7533  30.250  8.1160  3.500732       11.93692  
1 1 1 6   99  6  o 37.131  5.3681  790.335    209.623  957.877    312.908  653.924    282.345  40.006  7.4968  32.716  8.0280  7.289970       10.98417  
1 1 1 6   99  7  o 59.510  3.8288  1965.78    245.476  1936.71    362.849  1990.32    333.337  58.146  5.8404  59.259  5.2478  -1.112728      7.851725  
1 1 1 6   99  8  o 32.481  6.5436  625.874    222.245  562.068    359.250  665.433    282.870  30.048  9.6966  32.921  8.0095  -2.872786      12.57678  
1 1 1 6   99  9  o 37.760  1.2689  774.073    51.896   166.710    366.388  786.508    52.425   22.461  9.2759  38.062  1.2717  -15.60144      9.362697  
1 1 1 6   99  10 o 49.417  6.8411  1439.00    356.343  1393.26    634.031  1460.12    430.824  44.586  12.581  48.796  8.4582  -4.210419      15.16020  
1 1 1 6   99  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   100 0  o 49.200  4.2304  1350.32    223.237  1292.59    321.660  1403.95    310.069  47.237  6.4561  49.515  5.8977  -2.278503      8.744357  
1 1 1 6   100 1  o 40.501  4.6922  924.769    202.022  972.800    320.948  893.250    259.990  40.351  7.6230  39.181  6.3433  1.170341       9.917027  
1 1 1 6   100 2  o 23.546  6.7504  326.866    181.055  228.886    298.031  384.178    227.938  22.455  8.6602  25.429  7.6514  -2.973812      11.55606  
1 1 1 6   100 3  o 37.770  4.9585  810.065    197.947  516.457    325.169  982.929    249.504  29.123  9.2071  41.370  5.7214  -12.24669      10.83997  
1 1 1 6   100 4  o 75.671  3.3276  3147.70    272.724  3264.20    410.725  3055.82    364.738  76.201  5.0043  73.941  4.5768  2.260101       6.781579  
1 1 1 6   100 5  o 50.224  4.2685  1410.04    229.996  1409.91    347.421  1410.15    306.867  49.141  6.7022  49.576  5.8259  -0.4351807     8.880351  
1 1 1 6   100 6  o 35.233  5.6846  718.443    209.549  756.012    313.526  688.112    281.714  35.021  8.3781  33.587  7.8799  1.433800       11.50157  
1 1 1 6   100 7  o 23.091  7.2579  312.729    202.326  109.247    305.443  471.815    270.073  20.270  8.4282  27.788  8.3213  -7.517792      11.84396  
1 1 1 6   100 8  o 45.417  4.9558  1170.40    239.822  1280.03    381.835  1098.99    308.194  45.992  7.9530  43.144  6.8221  2.848202       10.47812  
1 1 1 6   100 9  o 57.433  5.5045  1883.39    338.214  0.0000     0.0000   1883.39    338.214  ?       ?       57.433  5.5045  0.000000       5.504477  
1 1 1 6   100 10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 6   101 0  o 92.034  3.1222  4647.13    311.226  4317.30    443.347  4967.58    437.001  87.893  4.6739  94.627  4.2638  -6.733917      6.326602  
1 1 1 6   101 1  o 85.778  3.2063  4039.98    297.881  4013.81    427.628  4064.65    415.183  84.730  4.6778  85.362  4.5066  -0.6321564     6.495488  
1 1 1 6   101 2  o 28.916  6.2514  493.181    190.083  463.896    277.991  518.897    260.497  27.693  8.4754  29.200  8.0001  -1.506559      11.65482  
1 1 1 6   101 3  o 14.203  6.2574  -34.8467   187.268  -209.8188  299.324  77.690     240.051  15.779  7.3212  18.072  7.4895  -2.292796      10.47342  
1 1 1 6   101 4  o 24.922  7.1687  370.587    203.882  759.750    313.643  85.810     268.302  35.142  8.3615  18.984  7.8969  16.15797       11.50109  
1 1 1 6   101 5  o 52.410  2.2811  1498.71    129.490  1529.69    142.521  1352.12    309.973  52.912  2.4869  48.393  6.0458  4.518753       6.537291  
1 1 1 6   101 6  o 69.352  3.5496  2659.44    265.737  2702.15    389.935  2622.39    363.116  69.077  5.2511  68.211  4.9486  0.8659134      7.215482  
1 1 1 6   101 7  o 46.564  4.7347  1224.15    235.467  1089.58    363.323  1321.61    309.190  42.237  8.2378  47.778  6.1152  -5.540371      10.25952  
1 1 1 6   101 8  o 36.073  7.7665  792.171    294.468  0.0000     0.0000   792.171    294.468  ?       ?       36.073  7.7665  0.000000       7.766467  
1 1 1 6   102 0  o 31.185  6.2604  572.284    204.107  783.897    294.852  377.582    282.825  35.976  7.7924  25.509  8.6186  10.46748       11.61902  
1 1 1 6   102 1  o 62.513  3.6079  2161.51    243.245  2065.46    372.236  2233.09    321.348  60.130  5.7870  63.072  4.7386  -2.942547      7.479596  
1 1 1 6   102 2  o 78.648  2.7333  3385.06    232.830  3518.29    294.405  3162.59    380.437  79.952  3.3997  75.124  4.6992  4.828545       5.800045  
1 1 1 6   102 3  o 58.547  3.8331  1902.73    241.723  1778.51    367.798  1997.19    320.715  55.506  6.2251  59.478  5.0255  -3.971607      8.000453  
1 1 1 6   102 4  o 31.344  1.2945  533.321    43.948   542.476    44.540   195.812    270.443  31.611  1.3009  21.154  8.2240  10.45726       8.326255  
1 1 1 6   102 5  o 18.892  7.1479  163.250    200.540  301.249    312.206  66.321     261.655  24.066  8.9570  18.437  7.7433  5.628828       11.84009  
1 1 1 6   102 6  o 40.839  5.1869  951.612    224.260  1117.01    348.389  834.593    293.046  43.066  7.7541  37.203  7.5309  5.862972       10.80924  
1 1 1 6   102 7  f 51.560  5.8981  1529.76    323.453  0.0000     0.0000   1529.76    323.453  ?       ?       51.560  5.8981  0.000000       5.898097  
1 1 1 6   103 0  o 78.018  3.3387  3347.56    282.127  3285.93    404.041  3406.20    394.120  76.481  4.9034  77.994  4.6873  -1.512169      6.783309  
1 1 1 6   103 1  o 71.284  3.4116  2796.56    263.402  3201.93    379.244  2418.77    366.117  75.629  4.6524  65.419  5.2103  10.20968       6.985077  
1 1 1 6   103 2  f 12.079  5.6129  -141.1709  176.924  -262.4438  261.441  -38.7111   240.308  13.941  6.5865  16.047  7.0782  -2.106265      9.668711  
1 1 1 6   103 3  o 17.504  1.4853  167.639    27.894   171.623    28.116   -80.9737   222.104  17.713  1.4790  14.760  6.6377  2.953439       6.800436  
1 1 1 6   103 4  o 17.272  6.8227  110.172    188.651  2.4231     313.747  171.187    236.099  18.853  8.2077  19.895  7.6981  -1.041979      11.25289  
1 1 1 6   103 5  o 18.000  7.1668  116.440    209.691  191.457    310.793  53.757     284.098  21.877  8.7205  18.835  7.9976  3.042316       11.83257  
1 1 1 6   104 0  o 46.757  4.2940  1223.69    215.029  1195.44    299.567  1253.71    308.840  45.408  6.2573  46.499  6.2940  -1.091595      8.875135  
1 1 1 6   104 1  o 25.479  6.8850  387.613    194.509  652.865    313.753  222.031    247.894  32.448  8.7342  21.319  7.9721  11.12972       11.82544  
1 1 1 6   104 2  o 19.938  7.3060  198.237    206.311  168.379    308.993  222.255    277.135  21.450  8.6446  21.865  8.3715  -0.4151192     12.03374  
1 1 1 7   0   0  o 185.831 5.0734  18751.82   1019.42  18751.82   1019.42  18751.82   1019.42  185.831 5.0734  185.831 5.0734  0.000000       0.000000  
1 1 1 7   0   1  o 653.013 21.823  233608.09  15395.84 233608.09  15395.84 233608.09  15395.84 653.013 21.823  653.013 21.823  0.000000       0.000000  
1 1 1 7   0   2  o 629.934 21.062  217212.30  14334.11 217212.30  14334.11 217212.30  14334.11 629.934 21.062  629.934 21.062  0.000000       0.000000  
1 1 1 7   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   0   4  o 235.158 6.1275  30022.73   1558.27  30022.73   1558.27  30022.73   1558.27  235.158 6.1275  235.158 6.1275  0.000000       0.000000  
1 1 1 7   0   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   0   6  o 194.748 5.3027  20589.90   1116.64  20589.90   1116.64  20589.90   1116.64  194.748 5.3027  194.748 5.3027  0.000000       0.000000  
1 1 1 7   0   7  o 362.238 8.7880  71228.92   3443.31  71228.92   3443.31  71228.92   3443.31  362.238 8.7880  362.238 8.7880  0.000000       0.000000  
1 1 1 7   0   8  o 418.043 10.025  94880.38   4533.06  94880.38   4533.06  94880.38   4533.06  418.043 10.025  418.043 10.025  0.000000       0.000000  
1 1 1 7   0   9  o 202.324 5.4718  22222.63   1197.10  22222.63   1197.10  22222.63   1197.10  202.324 5.4718  202.324 5.4718  0.000000       0.000000  
1 1 1 7   0   10 o 243.091 6.2818  32078.00   1651.45  32078.00   1651.45  32078.00   1651.45  243.091 6.2818  243.091 6.2818  0.000000       0.000000  
1 1 1 7   0   11 o 129.654 4.2126  9134.06    590.154  9134.06    590.154  9134.06    590.154  129.654 4.2126  129.654 4.2126  0.000000       0.000000  
1 1 1 7   0   12 o 241.053 6.1906  31545.55   1613.87  31545.55   1613.87  31545.55   1613.87  241.053 6.1906  241.053 6.1906  0.000000       0.000000  
1 1 1 7   0   13 o 99.536  5.5018  5417.02    588.993  5417.02    588.993  5417.02    588.993  99.536  5.5018  99.536  5.5018  0.000000       0.000000  
1 1 1 7   0   14 o 120.607 6.2941  7948.00    817.085  7948.00    817.085  7948.00    817.085  120.607 6.2941  120.607 6.2941  0.000000       0.000000  
1 1 1 7   0   15 o 23.956  0.9920  312.393    25.638   312.393    25.638   312.393    25.638   23.956  0.9920  23.956  0.9920  0.000000       0.000000  
1 1 1 7   0   16 o 113.843 4.1831  7050.82    514.218  7050.82    514.218  7050.82    514.218  113.843 4.1831  113.843 4.1831  0.000000       0.000000  
1 1 1 7   0   17 o 169.349 5.2326  15591.19   957.700  15591.19   957.700  15591.19   957.700  169.349 5.2326  169.349 5.2326  0.000000       0.000000  
1 1 1 7   0   18 o 74.097  2.7204  2986.23    217.661  2986.23    217.661  2986.23    217.661  74.097  2.7204  74.097  2.7204  0.000000       0.000000  
1 1 1 7   0   19 o 158.386 4.8153  13637.72   824.322  13637.72   824.322  13637.72   824.322  158.386 4.8153  158.386 4.8153  0.000000       0.000000  
1 1 1 7   0   20 o 288.100 7.2789  45162.15   2268.05  45162.15   2268.05  45162.15   2268.05  288.100 7.2789  288.100 7.2789  0.000000       0.000000  
1 1 1 7   0   21 o 494.108 14.043  134185.70  7501.77  134185.70  7501.77  134185.70  7501.77  494.108 14.043  494.108 14.043  0.000000       0.000000  
1 1 1 7   0   22 o 135.975 4.5735  10063.39   671.835  10063.39   671.835  10063.39   671.835  135.975 4.5735  135.975 4.5735  0.000000       0.000000  
1 1 1 7   0   23 o 35.805  7.6214  784.794    259.773  784.794    259.773  784.794    259.773  35.805  7.6214  35.805  7.6214  0.000000       0.000000  
1 1 1 7   0   24 o 91.382  4.5607  4570.16    448.834  4570.16    448.834  4570.16    448.834  91.382  4.5607  91.382  4.5607  0.000000       0.000000  
1 1 1 7   0   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   0   26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   0   27 o 14.406  8.8126  103.725    262.170  103.725    262.170  103.725    262.170  14.406  8.8126  14.406  8.8126  0.000000       0.000000  
1 1 1 7   0   28 o 56.993  3.0407  1781.06    186.482  1781.06    186.482  1781.06    186.482  56.993  3.0407  56.993  3.0407  0.000000       0.000000  
1 1 1 7   0   29 o 38.599  9.9664  984.429    360.106  984.429    360.106  984.429    360.106  38.599  9.9664  38.599  9.9664  0.000000       0.000000  
1 1 1 7   0   30 f 75.126  5.5080  3167.50    442.642  3167.50    442.642  3167.50    442.642  75.126  5.5080  75.126  5.5080  0.000000       0.000000  
1 1 1 7   0   31 o 17.342  10.438  206.769    355.397  206.769    355.397  206.769    355.397  17.342  10.438  17.342  10.438  0.000000       0.000000  
1 1 1 7   0   32 o 31.050  11.885  786.234    377.303  786.234    377.303  786.234    377.303  31.050  11.885  31.050  11.885  0.000000       0.000000  
1 1 1 7   0   33 o 10.434  7.3882  -355.2386  345.328  -355.2386  345.328  -355.2386  345.328  10.434  7.3882  10.434  7.3882  0.000000       0.000000  
1 1 1 7   0   34 o 30.652  1.1835  512.457    39.157   512.457    39.157   512.457    39.157   30.652  1.1835  30.652  1.1835  0.000000       0.000000  
1 1 1 7   0   35 o 15.001  9.6952  131.890    368.857  131.890    368.857  131.890    368.857  15.001  9.6952  15.001  9.6952  0.000000       0.000000  
1 1 1 7   0   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   1   0  o 365.784 6.2341  72557.62   2469.83  72690.38   3492.84  72424.84   3492.89  365.869 8.8142  365.198 8.8305  0.6707153      12.47670  
1 1 1 7   1   1  o 340.966 5.8710  63035.07   2168.17  61745.93   3066.14  64324.42   3066.38  337.251 8.3940  344.237 8.2243  -6.986572      11.75152  
1 1 1 7   1   2  f 507.703 17.086  140959.70  9395.56  0.0000     0.0000   140959.70  9395.56  ?       ?       507.703 17.086  0.000000       17.08607  
1 1 1 7   1   3  o 393.042 6.6606  83772.48   2835.47  80111.21   4009.76  87434.46   4010.15  384.074 9.6390  401.293 9.2263  -17.21823      13.34301  
1 1 1 7   1   4  o 50.615  2.2956  1387.60    125.850  1377.74    176.878  1397.70    179.102  50.326  3.2625  50.690  3.2798  -0.3635483     4.626121  
1 1 1 7   1   5  o 509.444 8.5079  140763.09  4694.49  137418.41  6638.91  144107.91  6639.11  502.956 12.187  515.090 11.900  -12.13354      17.03346  
1 1 1 7   1   6  o 657.299 15.271  234913.30  10871.69 246546.50  15375.60 223282.20  15374.17 672.151 21.120  639.397 22.200  32.75360       30.64134  
1 1 1 7   1   7  o 411.377 6.9612  91717.26   3101.67  92754.54   4386.46  90680.00   4386.40  413.543 9.7932  408.885 9.9046  4.657776       13.92864  
1 1 1 7   1   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   1   9  o 347.913 5.9493  65591.16   2241.84  65933.30   3170.49  65249.06   3170.38  348.715 8.3943  346.899 8.4380  1.816315       11.90229  
1 1 1 7   1   10 o 253.454 4.5837  34802.36   1258.31  34146.22   1779.52  35458.48   1779.51  251.002 6.5457  255.783 6.4233  -4.781403      9.170875  
1 1 1 7   1   11 o 323.430 5.6085  56687.80   1964.70  55114.38   2778.43  58261.40   2778.59  318.797 8.0466  327.784 7.8265  -8.987396      11.22507  
1 1 1 7   1   12 o 203.730 3.8685  22486.34   853.620  22574.83   1207.26  22397.87   1207.14  204.091 5.4614  203.289 5.4824  0.8021240      7.738513  
1 1 1 7   1   13 o 145.613 3.5759  11487.38   563.968  8897.28    1064.21  12498.85   665.031  127.819 7.7233  151.879 4.0427  -24.06025      8.717424  
1 1 1 7   1   14 o 275.160 9.8640  41167.66   2939.73  41167.66   2939.73  0.0000     0.0000   275.160 9.8640  ?       ?       0.000000       9.863976  
1 1 1 7   1   15 o 281.903 5.7157  43110.16   1745.19  42211.06   2468.06  44009.28   2468.08  278.700 8.1762  284.595 8.0069  -5.894775      11.44375  
1 1 1 7   1   16 o 460.711 8.2037  115425.50  4093.60  118949.30  5359.16  110489.30  6342.81  467.044 10.594  449.334 13.033  17.70993       16.79567  
1 1 1 7   1   17 o 162.179 3.4108  14256.02   599.134  13579.01   846.944  14934.18   847.663  158.207 4.9426  165.927 4.7167  -7.719955      6.832025  
1 1 1 7   1   18 o 235.886 4.3697  30180.92   1116.41  29613.61   1578.71  30748.43   1578.98  233.466 6.2432  237.911 6.1276  -4.445358      8.747889  
1 1 1 7   1   19 o 120.632 3.0436  7887.55    397.662  7636.46    562.004  8139.31    562.755  118.642 4.3735  122.492 4.2417  -3.850418      6.092592  
1 1 1 7   1   20 o 161.225 3.4905  14095.17   609.529  14737.38   828.606  13337.87   899.796  164.775 4.6429  156.702 5.3015  8.073486       7.047152  
1 1 1 7   1   21 o 84.038  3.0616  3829.18    278.672  3822.79    393.855  3835.59    394.349  83.804  4.3541  83.945  4.3522  -0.1409225     6.156282  
1 1 1 7   1   22 o 98.107  3.0127  5219.92    320.124  5374.13    452.569  5065.50    452.879  99.478  4.2004  96.570  4.3298  2.907158       6.032442  
1 1 1 7   1   23 o 94.239  3.0781  4819.32    314.180  4876.24    443.948  4762.21    444.689  94.700  4.3282  93.581  4.3873  1.118950       6.162941  
1 1 1 7   1   24 f 95.087  4.5185  4926.99    465.359  4100.06    665.631  5717.60    650.851  86.045  7.2087  102.043 5.9142  -15.99797      9.324361  
1 1 1 7   1   25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   1   26 f 37.294  7.3280  800.842    285.440  743.434    388.979  867.825    420.167  35.520  9.7942  38.260  10.020  -2.740124      14.01183  
1 1 1 7   1   27 o 40.321  4.8210  906.896    206.366  908.520    291.317  905.261    292.376  39.742  7.0248  39.657  7.0660  0.8483124E-01  9.963748  
1 1 1 7   1   28 o 24.210  1.3523  318.918    35.317   320.271    35.524   203.523    328.182  24.261  1.3573  22.948  9.0198  1.313044       9.121313  
1 1 1 7   1   29 o 35.992  6.6267  755.230    248.806  967.185    350.692  540.416    353.049  40.133  8.3402  30.059  9.6034  10.07333       12.71939  
1 1 1 7   1   30 o 41.876  2.0100  954.930    91.167   611.300    364.580  977.850    94.159   31.318  9.7263  42.371  2.0518  -11.05294      9.940373  
1 1 1 7   1   31 o 80.667  3.1001  3579.71    270.858  3397.31    331.612  3945.31    469.480  78.125  3.9315  83.357  5.2264  -5.232498      6.540088  
1 1 1 7   1   32 o 66.625  2.9320  2452.12    211.577  2401.99    432.190  2467.92    242.640  63.426  6.3777  66.547  3.3775  -3.120979      7.216815  
1 1 1 7   1   33 o 20.706  1.8696  236.702    41.478   240.546    41.622   -315.5048  498.832  20.877  1.8602  18.485  8.8365  2.392651       9.030142  
1 1 1 7   1   34 o 24.046  8.3143  404.476    263.513  191.867    371.671  619.373    373.665  20.794  8.9927  28.070  9.8887  -7.275564      13.36624  
1 1 1 7   1   35 o 15.660  7.3018  -95.4020   303.532  -15.6380   527.380  -134.9121  371.171  19.863  9.3756  16.664  7.8655  3.199476       12.23797  
1 1 1 7   1   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   2   0  o 187.315 3.6606  19010.27   742.674  18579.54   1050.30  19441.01   1050.30  185.135 5.2379  189.382 5.1204  -4.247406      7.324868  
1 1 1 7   2   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   2   2  o 339.759 5.8546  62586.04   2154.45  61580.28   3046.84  63591.81   3046.85  336.819 8.3519  342.288 8.2184  -5.469482      11.71735  
1 1 1 7   2   3  o 460.426 8.9195  115080.00  4448.07  114147.20  5447.60  116945.90  7704.71  458.274 10.975  463.055 15.362  -4.781036      18.87990  
1 1 1 7   2   4  f 448.037 7.5513  108867.70  3664.42  106642.40  5182.14  111093.20  5182.41  443.099 10.798  452.278 10.579  -9.178894      15.11672  
1 1 1 7   2   5  o 433.545 7.3093  101903.50  3432.28  102001.70  4854.04  101805.30  4853.91  433.514 10.338  433.096 10.348  0.4184570      14.62677  
1 1 1 7   2   6  o 581.979 13.681  184012.00  8623.96  171367.20  12196.20 196656.41  12196.05 560.593 20.087  600.801 18.742  -40.20844      27.47251  
1 1 1 7   2   7  o 201.974 3.8414  22096.83   840.342  22391.38   1188.68  21802.54   1188.17  203.292 5.3985  200.600 5.4686  2.692078       7.684359  
1 1 1 7   2   8  o 304.150 5.3301  50120.30   1755.87  51304.42   2483.27  48936.36   2483.09  307.655 7.4523  300.465 7.6301  7.190552       10.66558  
1 1 1 7   2   9  o 433.710 7.3111  101961.80  3434.39  100649.10  4856.98  103274.40  4856.95  430.707 10.412  436.298 10.278  -5.591217      14.63003  
1 1 1 7   2   10 o 119.291 2.8497  7707.59    368.192  7668.97    521.020  7746.12    520.385  118.982 4.0430  119.579 4.0179  -0.5972672     5.699933  
1 1 1 7   2   11 o 284.635 5.0215  43898.46   1548.06  44747.48   2189.48  43049.75   2189.10  287.300 7.0362  281.791 7.1725  5.508636       10.04747  
1 1 1 7   2   12 o 486.051 9.3494  128231.40  4921.95  135090.00  6028.57  114520.20  8523.86  498.639 11.162  458.092 17.180  40.54617       20.48750  
1 1 1 7   2   13 o 416.998 8.1242  94373.89   3669.31  89026.45   6353.33  97050.26   4494.71  404.051 14.518  422.658 9.8184  -18.60739      17.52606  
1 1 1 7   2   14 o 193.314 7.5721  20286.24   1585.45  20286.24   1585.45  0.0000     0.0000   193.314 7.5721  ?       ?       0.000000       7.572134  
1 1 1 7   2   15 o 422.438 7.6958  96941.50   3521.18  96791.75   4612.69  97150.63   5451.04  421.641 10.100  421.981 11.927  -0.3395081     15.62891  
1 1 1 7   2   16 o 307.981 5.4005  51460.15   1801.46  53158.61   2547.83  49762.18   2547.48  312.757 7.5213  302.565 7.7736  10.19235       10.81661  
1 1 1 7   2   17 o 232.775 4.3157  29383.49   1088.06  29418.46   1538.70  29348.51   1538.82  232.755 6.1036  232.477 6.1113  0.2776794      8.637249  
1 1 1 7   2   18 o 112.550 2.9621  6865.17    361.095  6484.99    510.332  7246.34    510.999  109.345 4.3091  115.595 4.0814  -6.249695      5.935144  
1 1 1 7   2   19 o 237.371 4.3981  30568.85   1130.74  30898.44   1599.11  30239.26   1599.11  238.436 6.1921  235.870 6.2594  2.566284       8.804677  
1 1 1 7   2   20 o 89.920  2.9615  4382.87    288.427  3956.49    406.647  4814.52    409.159  85.272  4.4181  94.207  4.0099  -8.935585      5.966504  
1 1 1 7   2   21 o 237.599 4.4168  30648.22   1136.65  30858.51   1607.26  30437.83   1607.67  238.121 6.2319  236.484 6.2766  1.637039       8.844885  
1 1 1 7   2   22 o 85.019  3.0655  3920.34    282.283  3870.95    387.755  3976.03    411.740  84.316  4.2597  85.434  4.4651  -1.117249      6.171133  
1 1 1 7   2   23 o 64.673  3.8692  2280.42    269.780  2275.04    338.591  2289.76    446.446  64.468  4.8854  64.417  6.4871  0.5095673E-01  8.120957  
1 1 1 7   2   24 o 33.318  6.9323  631.962    242.018  488.234    352.213  760.527    333.115  29.900  9.5961  36.358  8.5947  -6.458092      12.88233  
1 1 1 7   2   25 o 23.028  8.4081  244.909    272.896  360.210    398.773  143.348    374.259  27.691  10.156  23.379  9.4816  4.312281       13.89397  
1 1 1 7   2   26 o 45.557  6.2403  1168.49    299.823  1493.54    409.476  792.795    440.219  51.180  7.6192  36.627  10.533  14.55260       13.00015  
1 1 1 7   2   27 o 34.423  1.6341  642.912    60.925   373.941    377.306  650.112    61.735   27.261  9.8968  34.615  1.6467  -7.353794      10.03283  
1 1 1 7   2   28 o 24.496  7.8373  338.976    235.070  74.567     331.825  605.348    333.056  20.819  8.7306  31.835  9.1640  -11.01614      12.65704  
1 1 1 7   2   29 o 31.206  1.1809  528.172    39.912   530.905    40.184   328.099    343.841  31.286  1.1858  25.408  9.4110  5.878681       9.485425  
1 1 1 7   2   30 o 69.200  4.0120  2658.84    299.412  2627.26    421.579  2690.98    425.310  67.895  5.7882  68.731  5.7666  -0.8359756     8.170431  
1 1 1 7   2   31 o 64.259  4.3165  2314.21    298.680  2600.38    421.945  2026.81    422.852  67.209  5.8549  58.696  6.7758  8.512890       8.954932  
1 1 1 7   2   32 f 58.819  4.6476  1978.47    293.671  2121.94    414.333  1833.64    416.301  59.438  6.5445  54.664  7.2070  4.773491       9.735023  
1 1 1 7   2   33 o 27.719  7.6357  513.767    236.555  821.015    369.485  300.350    307.940  33.341  9.6680  22.346  8.7511  10.99491       13.04037  
1 1 1 7   2   34 o 25.129  8.3422  447.854    265.069  769.779    374.437  124.456    375.293  31.274  9.8793  19.967  8.8246  11.30664       13.24663  
1 1 1 7   2   35 o 15.045  7.0631  -129.4924  292.208  -266.1740  476.267  -46.9824   370.040  17.464  8.4220  17.450  8.1113  0.1416206E-01  11.69293  
1 1 1 7   2   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   0  o 450.332 10.781  110272.40  5258.37  115515.00  7436.04  105028.60  7436.87  460.061 14.923  438.512 15.658  21.54956       21.63033  
1 1 1 7   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   2  o 336.115 5.8295  61249.45   2122.23  58504.04   3001.17  63995.29   3001.41  328.294 8.4403  343.391 8.0699  -15.09601      11.67738  
1 1 1 7   3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   4  o 302.599 5.2910  49622.78   1734.12  50396.71   2452.48  48848.92   2452.36  304.846 7.4277  300.121 7.5443  4.724274       10.58710  
1 1 1 7   3   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   3   8  o 650.350 10.727  229474.30  7555.89  229258.80  10685.70 229689.70  10685.59 649.444 15.191  650.056 15.177  -0.6123657     21.47332  
1 1 1 7   3   9  o 657.478 10.855  234574.20  7729.80  237928.80  10931.70 231219.80  10931.47 661.511 15.257  652.080 15.478  9.430908       21.73357  
1 1 1 7   3   10 o 562.832 9.3295  171833.30  5687.33  171243.09  8043.22  172423.41  8042.99  561.401 13.228  563.339 13.182  -1.937927      18.67446  
1 1 1 7   3   11 o 338.658 5.8322  62155.22   2139.26  62280.45   3025.52  62030.02   3025.21  338.876 8.2431  338.193 8.2589  0.6829224      11.66864  
1 1 1 7   3   12 o 286.540 5.0058  44493.36   1553.55  45990.75   2198.29  42999.35   2195.81  291.231 6.9691  281.589 7.1996  9.642700       10.02011  
1 1 1 7   3   13 o 382.811 7.5047  79509.25   3111.62  74735.69   5386.87  81899.51   3811.86  370.383 13.428  388.357 9.0623  -17.97366      16.19996  
1 1 1 7   3   14 o 103.484 4.0363  5803.39    452.401  5803.39    452.401  0.0000     0.0000   103.484 4.0363  ?       ?       0.000000       4.036270  
1 1 1 7   3   15 o 326.808 6.5736  57970.76   2326.83  58866.13   4030.00  57523.01   2849.85  328.591 11.323  325.354 8.0871  3.236969       13.91484  
1 1 1 7   3   16 o 208.864 3.9786  23648.04   900.040  22028.78   1272.16  25270.83   1273.54  201.473 5.8298  215.819 5.4482  -14.34584      7.979318  
1 1 1 7   3   17 o 33.416  2.2543  607.676    81.111   1163.79    227.978  527.080    86.790   46.090  4.6294  31.081  2.6021  15.00943       5.310562  
1 1 1 7   3   18 f 169.433 3.8178  15565.40   700.625  15897.23   900.229  15055.65   1115.78  171.165 4.8559  166.471 6.1883  4.693893       7.866007  
1 1 1 7   3   19 o 38.461  3.9100  810.520    160.617  861.394    213.508  744.194    243.785  39.508  5.1092  36.471  6.4053  3.037167       8.193398  
1 1 1 7   3   20 o 166.889 3.7765  15106.30   682.639  14927.19   964.217  15286.29   966.582  165.768 5.3704  167.755 5.3198  -1.986938      7.559162  
1 1 1 7   3   21 f 153.990 3.3978  12860.60   566.712  12785.81   800.393  12935.79   802.515  153.428 4.8165  154.326 4.8011  -0.8986816     6.800682  
1 1 1 7   3   22 o 155.428 3.4535  13107.57   581.381  13481.57   852.202  12781.96   795.154  157.466 4.9967  153.351 4.7874  4.115189       6.919980  
1 1 1 7   3   23 o 125.160 4.4094  8518.95    597.744  9348.92    849.154  7703.73    841.572  130.884 5.9900  118.540 6.5806  12.34442       8.898603  
1 1 1 7   3   24 o 22.131  7.6881  243.533    225.443  122.998    328.748  350.538    309.748  22.022  8.9021  26.220  9.0172  -4.197758      12.67111  
1 1 1 7   3   25 o 86.046  3.1853  4027.24    296.861  3927.97    418.521  4127.75    421.140  84.661  4.5812  86.813  4.4943  -2.151169      6.417665  
1 1 1 7   3   26 o 26.523  6.7337  405.555    193.784  133.854    273.208  680.644    274.905  20.558  8.1821  34.260  7.6066  -13.70183      11.17171  
1 1 1 7   3   27 o 61.892  2.7962  2085.98    187.448  1696.26    457.483  2164.61    205.489  54.239  8.0301  63.020  3.0105  -8.781311      8.575840  
1 1 1 7   3   28 o 50.478  4.5212  1415.19    244.568  1300.51    327.670  1559.44    367.489  47.738  6.5068  52.293  6.6377  -4.555584      9.295059  
1 1 1 7   3   29 f 28.673  1.9113  448.979    59.015   446.930    59.896   517.110    345.374  28.603  1.9449  29.491  9.5065  -0.8880730     9.703415  
1 1 1 7   3   30 o 25.995  8.0074  403.671    247.678  529.690    348.353  274.840    352.218  29.439  9.5533  24.216  9.3934  5.223637       13.39786  
1 1 1 7   3   31 o 90.950  3.6202  4576.75    356.626  4793.86    504.576  4360.04    504.115  92.019  5.0824  87.546  5.3420  4.472603       7.373452  
1 1 1 7   3   32 o 65.822  2.9977  2395.83    213.711  2292.85    245.202  2721.27    435.906  64.038  3.5491  67.886  5.9899  -3.848244      6.962403  
1 1 1 7   3   33 o 24.702  1.2951  333.178    34.530   58.408     357.533  335.766    34.693   19.287  8.5640  24.798  1.2962  -5.511408      8.661544  
1 1 1 7   3   34 o 29.303  8.1725  606.992    269.165  875.810    380.235  336.979    381.080  33.532  9.8319  22.978  9.4718  10.55457       13.65217  
1 1 1 7   3   35 o 22.633  8.5712  373.243    288.524  -26.7994   444.634  664.208    379.201  18.768  8.7795  27.872  9.9464  -9.104189      13.26686  
1 1 1 7   3   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   4   0  o 170.112 3.3899  15677.68   624.587  15701.24   883.338  15654.12   883.261  170.206 4.7916  169.950 4.7984  0.2557678      6.781188  
1 1 1 7   4   1  o 466.558 11.090  118380.50  5604.15  114219.30  7925.29  122542.10  7925.64  457.246 16.003  473.753 15.446  -16.50714      22.24104  
1 1 1 7   4   2  o 88.348  2.5125  4227.89    240.424  4475.41    340.113  3980.67    339.910  90.889  3.4549  85.716  3.6613  5.172836       5.034023  
1 1 1 7   4   3  o 456.872 8.8780  113301.30  4393.21  109828.40  5380.21  120249.80  7610.24  449.530 11.050  469.674 14.960  -20.14474      18.59861  
1 1 1 7   4   4  o 180.309 3.5813  17612.22   699.397  17956.45   989.037  17267.92   989.157  182.035 5.0163  178.509 5.1161  3.526352       7.165030  
1 1 1 7   4   5  o 571.896 10.861  177543.30  6727.66  192605.59  11654.19 170015.09  8239.12  594.412 18.102  559.265 13.602  35.14807       22.64255  
1 1 1 7   4   6  o 567.841 9.4187  174880.30  5792.78  174480.09  8192.29  175280.59  8192.16  566.765 13.345  568.068 13.315  -1.302612      18.85150  
1 1 1 7   4   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   4   8  o 590.343 9.8021  189024.41  6267.49  186402.50  8863.59  191646.30  8863.54  585.769 13.971  593.976 13.777  -8.207520      19.62124  
1 1 1 7   4   9  o 314.397 5.4886  53557.88   1868.99  53224.20   2643.16  53891.57   2643.15  313.334 7.7884  315.295 7.7399  -1.960388      10.98018  
1 1 1 7   4   10 o 265.605 4.7399  38220.66   1363.57  39705.45   1928.79  36737.11   1927.99  270.662 6.5794  260.340 6.8374  10.32224       9.488886  
1 1 1 7   4   11 o 356.903 7.0416  69056.20   2722.03  71841.39   3334.23  63490.20   4713.45  363.944 8.4585  341.806 12.732  22.13809       15.28541  
1 1 1 7   4   12 o 394.342 6.6515  84313.19   2840.96  89566.37   4018.73  79065.30   4016.71  406.231 9.1337  381.619 9.7178  24.61169       13.33643  
1 1 1 7   4   13 o 400.271 9.6368  87034.51   4177.92  86749.09   5908.83  87319.85   5908.11  398.991 13.673  400.310 13.626  -1.318909      19.30371  
1 1 1 7   4   14 o 223.621 4.8345  27107.62   1170.94  26730.93   1433.83  27861.85   2028.87  222.005 5.9630  226.497 8.2703  -4.491745      10.19586  
1 1 1 7   4   15 o 280.383 6.1710  42659.52   1874.02  42145.69   2952.36  43006.26   2425.25  278.266 9.7958  281.333 7.9591  -3.067505      12.62161  
1 1 1 7   4   16 o 269.649 5.1884  39442.54   1515.30  38526.87   2319.81  40123.97   2001.22  266.187 8.0463  271.805 6.7978  -5.617676      10.53341  
1 1 1 7   4   17 o 251.699 4.9011  34369.01   1336.10  33975.82   1767.92  34892.69   2040.29  250.084 6.5269  253.318 7.4363  -3.234192      9.894344  
1 1 1 7   4   18 o 277.150 4.9593  41683.13   1488.68  42414.50   2105.26  40951.68   2105.37  279.295 6.9594  274.416 7.0835  4.878357       9.930236  
1 1 1 7   4   19 o 327.236 5.7017  58167.70   2020.84  55726.95   2857.41  60610.13   2858.40  319.766 8.2503  333.567 7.9117  -13.80087      11.43079  
1 1 1 7   4   20 o 114.971 3.0207  7165.42    376.149  6992.28    530.729  7340.16    533.190  113.516 4.3166  116.310 4.2325  -2.794067      6.045442  
1 1 1 7   4   21 o 199.491 3.9207  21594.24   847.145  22031.11   1197.22  21156.15   1198.87  201.310 5.4908  197.255 5.6114  4.054749       7.850965  
1 1 1 7   4   22 o 97.905  3.8840  5203.50    411.862  5179.68    644.230  5219.96    535.617  97.314  6.1437  97.847  5.0714  -0.5324097     7.966455  
1 1 1 7   4   23 f 72.921  4.4407  2902.57    349.063  2879.30    498.924  2924.88    488.540  72.314  6.4374  72.923  6.2457  -0.6089859     8.969283  
1 1 1 7   4   24 o 75.765  2.6515  3115.40    217.587  3302.23    343.973  2990.77    280.937  77.781  4.0975  74.175  3.4969  3.606003       5.386803  
1 1 1 7   4   25 o 29.639  5.7307  498.337    177.310  646.058    250.714  350.522    250.794  33.565  7.1172  25.303  8.0951  8.261108       10.77894  
1 1 1 7   4   26 o 56.756  3.7864  1766.34    231.427  1643.77    325.002  1892.43    329.623  54.337  5.6026  58.429  5.2652  -4.091270      7.688381  
1 1 1 7   4   27 o 34.152  7.8008  683.187    282.229  756.875    382.465  595.090    418.186  35.606  9.6683  32.141  10.469  3.465157       14.25045  
1 1 1 7   4   28 o 60.979  5.3845  2079.74    351.977  2070.44    468.170  2091.83    533.802  60.040  7.3531  59.813  8.4769  0.2262917      11.22167  
1 1 1 7   4   29 o 63.369  2.9434  2195.46    202.018  2550.44    409.125  2081.00    232.315  67.228  5.6716  61.478  3.5034  5.750233       6.666437  
1 1 1 7   4   30 o 73.155  3.8995  2966.83    307.858  2758.61    435.180  3175.42    435.575  69.549  5.8309  74.908  5.4049  -5.358833      7.950628  
1 1 1 7   4   31 o 88.351  3.1228  4295.67    298.834  4201.62    490.343  4351.24    376.920  85.968  5.2918  88.509  3.9318  -2.541183      6.592616  
1 1 1 7   4   32 o 32.476  7.6208  669.934    263.453  385.164    372.146  956.031    373.012  25.382  9.7051  37.789  9.1999  -12.40699      13.37260  
1 1 1 7   4   33 o 27.802  1.1315  420.371    34.073   -270.4922  353.854  426.836    34.232   15.822  7.5299  28.016  1.1281  -12.19369      7.613968  
1 1 1 7   4   34 o 22.781  1.6734  285.565    41.000   374.868    351.079  284.331    41.283   23.454  9.2938  22.728  1.6891  0.7256927      9.446054  
1 1 1 7   4   35 o 22.846  8.5550  383.131    285.662  68.161     439.539  613.456    375.867  19.549  8.9995  26.910  9.8613  -7.361477      13.35050  
1 1 1 7   4   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   5   0  o 122.929 2.8680  8185.95    381.865  8194.72    539.915  8177.17    540.162  122.977 4.0535  122.845 4.0597  0.1318359      5.736914  
1 1 1 7   5   1  o 116.135 2.7651  7305.99    347.814  6936.89    491.848  7675.19    491.917  113.147 4.0134  119.019 3.8160  -5.872116      5.537997  
1 1 1 7   5   2  o 293.307 5.1398  46628.24   1632.81  48052.47   2309.24  45204.25   2309.04  297.635 7.1633  288.664 7.3853  8.970398       10.28865  
1 1 1 7   5   3  o 310.130 5.4152  52130.74   1819.00  51757.56   2572.25  52504.03   2572.65  308.886 7.6886  311.109 7.6348  -2.223145      10.83534  
1 1 1 7   5   4  o 85.485  2.5130  3958.06    232.671  3730.85    328.464  4186.90    329.632  82.988  3.6543  87.915  3.4618  -4.927399      5.033649  
1 1 1 7   5   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   5   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   5   7  o 411.872 7.0174  91938.96   3130.45  88128.50   4427.25  95748.98   4427.00  403.078 10.141  420.171 9.7278  -17.09274      14.05226  
1 1 1 7   5   8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   5   9  o 594.920 9.8662  191993.91  6357.41  194423.30  8990.90  189564.70  8990.58  598.182 13.877  590.635 14.054  7.546631       19.75065  
1 1 1 7   5   10 o 450.852 7.5526  110198.70  3688.07  113452.30  5216.03  106946.00  5215.40  457.225 10.533  443.893 10.848  13.33240       15.11990  
1 1 1 7   5   11 o 551.187 9.1308  164823.80  5451.05  166099.30  7709.11  163548.50  7708.79  552.824 12.875  548.548 12.975  4.276428       18.27871  
1 1 1 7   5   12 o 623.480 11.826  211304.09  7986.29  223276.30  13833.17 205318.59  9781.00  638.690 19.997  613.961 14.709  24.72925       24.82372  
1 1 1 7   5   13 o 453.012 8.6822  111418.50  4260.01  116472.80  5218.15  101318.30  7376.53  462.917 10.407  430.732 15.812  32.18484       18.92931  
1 1 1 7   5   14 o 48.854  3.7765  1301.06    198.280  1403.94    242.529  1093.69    344.321  50.699  4.4621  44.288  7.4420  6.410645       8.677175  
1 1 1 7   5   15 o 548.741 10.535  164031.91  6261.64  172073.50  10845.47 160011.09  7668.92  558.941 17.915  541.114 13.085  17.82703       22.18464  
1 1 1 7   5   16 o 251.477 4.5719  34292.98   1245.28  32760.36   1760.55  35827.47   1761.62  245.618 6.6179  256.888 6.3314  -11.27026      9.158746  
1 1 1 7   5   17 f 133.024 3.1062  9589.75    447.536  10011.60   632.589  9167.03    633.233  135.874 4.2985  130.008 4.4970  5.865753       6.220930  
1 1 1 7   5   18 o 197.516 3.8538  21153.49   824.437  20832.81   1165.46  21474.68   1166.40  195.888 5.4932  198.890 5.4146  -3.001923      7.713121  
1 1 1 7   5   19 o 144.166 3.3885  11267.67   529.099  10862.79   724.498  11730.38   774.523  141.480 4.7279  147.012 4.8642  -5.532333      6.783338  
1 1 1 7   5   20 o 68.093  2.5835  2512.80    190.535  2273.11    340.202  2622.34    229.989  64.519  4.9051  69.552  3.0530  -5.032845      5.777603  
1 1 1 7   5   21 o 98.415  3.4578  5253.21    368.582  5074.26    466.466  5550.62    601.374  96.675  4.4549  100.894 5.5241  -4.218224      7.096599  
1 1 1 7   5   22 o 121.953 4.4053  8079.38    581.882  7987.77    825.014  8170.06    820.813  120.898 6.3224  122.291 6.2174  -1.393463      8.867319  
1 1 1 7   5   23 o 54.768  5.0043  1646.69    293.572  1768.48    420.573  1530.96    409.977  56.419  7.0353  52.351  7.4397  4.068047       10.23936  
1 1 1 7   5   24 o 47.356  3.9724  1228.90    201.867  1094.13    283.410  1367.68    287.603  44.299  6.0661  49.741  5.4264  -5.441612      8.139008  
1 1 1 7   5   25 o 48.997  3.8304  1316.26    201.657  1285.62    284.112  1347.37    286.272  48.092  5.5567  49.270  5.4561  -1.177555      7.787493  
1 1 1 7   5   26 o 59.637  3.5563  1946.71    228.669  2033.92    312.060  1845.59    336.045  60.707  4.7848  57.648  5.4465  3.059246       7.249757  
1 1 1 7   5   27 o 53.595  4.0081  1581.86    230.982  1736.43    331.062  1435.25    322.423  55.757  5.5560  50.506  6.0122  5.250954       8.186347  
1 1 1 7   5   28 o 14.245  6.7020  -264.1044  265.590  -675.4615  339.977  380.031    425.431  13.478  6.6316  27.808  10.435  -14.33071      12.36382  
1 1 1 7   5   29 o 54.547  6.6080  1709.91    382.438  1679.11    557.592  1737.27    525.529  52.070  10.252  53.496  9.4137  -1.425785      13.91819  
1 1 1 7   5   30 o 75.115  2.9422  3092.21    239.374  3105.34    285.407  3061.05    439.560  75.087  3.5094  73.440  5.5675  1.647293       6.581233  
1 1 1 7   5   31 o 46.555  5.4821  1246.56    271.132  1184.12    381.289  1310.42    385.625  43.770  8.3475  46.340  7.9705  -2.570457      11.54160  
1 1 1 7   5   32 o 27.748  1.3077  418.647    39.299   -40.3867   355.505  424.326    39.542   18.699  8.4044  27.935  1.3069  -9.236094      8.505440  
1 1 1 7   5   33 f 38.448  2.2992  817.258    95.308   1238.57    368.091  786.983    98.673   42.945  8.2129  37.682  2.4306  5.262981       8.565015  
1 1 1 7   5   34 o 19.594  7.7470  216.465    243.434  287.189    324.715  125.709    367.839  21.755  8.8287  19.862  8.7594  1.893358       12.43678  
1 1 1 7   5   35 o 15.244  2.8401  134.306    45.167   491.134    435.310  130.423    45.412   24.489  10.112  14.999  2.9003  9.489854       10.51967  
1 1 1 7   5   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   6   0  o 275.655 4.8754  41183.46   1455.61  37625.29   2058.23  44743.77   2058.85  263.350 7.2159  287.225 6.6181  -23.87418      9.791227  
1 1 1 7   6   1  o 169.375 3.4641  15542.27   635.497  15661.70   898.862  15422.90   898.593  169.992 4.8820  168.689 4.9182  1.301926       6.929808  
1 1 1 7   6   2  o 390.478 6.6211  82684.47   2800.27  86478.09   3960.33  78891.43   3960.03  399.087 9.1621  381.132 9.5930  17.95532       13.26532  
1 1 1 7   6   3  o 700.607 23.385  269865.50  17745.18 269865.50  17745.18 0.0000     0.0000   700.607 23.385  ?       ?       0.000000       23.38490  
1 1 1 7   6   4  o 538.743 12.707  157775.50  7414.61  150401.30  10485.84 165149.70  10485.84 524.910 18.444  550.240 17.595  -25.32996      25.49002  
1 1 1 7   6   5  o 408.326 6.8758  90375.09   3040.88  91077.70   4300.62  89672.58   4300.29  409.727 9.6910  406.548 9.7660  3.178528       13.75822  
1 1 1 7   6   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   6   7  o 532.420 8.8193  153700.20  5085.82  151676.09  7192.57  155724.09  7192.29  528.573 12.563  535.597 12.398  -7.024170      17.65094  
1 1 1 7   6   8  o 465.199 7.7868  117312.20  3923.46  122339.20  5549.06  112286.90  5548.17  474.848 10.789  454.883 11.261  19.96484       15.59557  
1 1 1 7   6   9  o 601.528 9.8975  196285.41  6448.40  200259.09  9119.70  192312.20  9119.13  607.090 13.869  594.882 14.153  12.20844       19.81594  
1 1 1 7   6   10 o 351.295 6.0115  66877.95   2287.31  67511.77   3234.96  66244.30   3234.52  352.836 8.4650  349.504 8.5445  3.332245       12.02767  
1 1 1 7   6   11 o 241.047 4.4048  31479.38   1150.00  31353.72   1626.48  31605.00   1626.22  240.514 6.2437  241.477 6.2177  -0.9627228     8.811563  
1 1 1 7   6   12 f 310.785 6.1499  52360.70   2070.15  52055.46   3583.89  52513.54   2536.00  309.558 10.689  311.159 7.5248  -1.601166      13.07214  
1 1 1 7   6   13 o 683.400 12.741  254317.50  9430.62  271926.91  11550.82 219111.70  16332.28 705.880 15.108  629.987 23.936  75.89246       28.30498  
1 1 1 7   6   14 o 605.943 11.460  199957.41  7521.32  194995.80  9211.21  209883.70  13028.67 597.473 14.234  617.551 19.479  -20.07788      24.12514  
1 1 1 7   6   15 o 100.223 3.2987  5442.92    358.087  6274.36    621.144  5029.04    438.241  107.556 5.3320  96.320  4.2007  11.23575       6.787943  
1 1 1 7   6   16 o 232.232 4.3015  29240.73   1081.96  28171.92   1529.56  30311.13   1530.70  227.805 6.1992  236.316 5.9804  -8.510605      8.613609  
1 1 1 7   6   17 o 258.059 4.9939  36130.86   1395.81  34085.71   2132.23  37664.48   1846.42  250.308 7.8648  263.314 6.4742  -13.00578      10.18680  
1 1 1 7   6   18 o 144.396 3.2949  11301.72   515.314  11133.00   706.168  11493.91   753.678  143.255 4.5512  145.545 4.7810  -2.290482      6.600869  
1 1 1 7   6   19 o 197.307 3.8301  21111.79   818.503  21615.82   1156.79  20606.45   1158.29  199.517 5.3531  194.790 5.4901  4.727600       7.667894  
1 1 1 7   6   20 o 312.802 5.4929  53161.08   1860.99  51887.98   2631.16  54435.50   2632.52  308.505 7.8743  316.036 7.6907  -7.531067      11.00691  
1 1 1 7   6   21 o 209.651 5.7174  23902.89   1298.26  24415.47   1836.58  23390.92   1835.47  211.460 8.0188  206.940 8.1890  4.520645       11.46132  
1 1 1 7   6   22 o 190.868 5.3896  19821.99   1114.19  19760.73   1576.37  19883.15   1575.04  190.121 7.6552  190.716 7.6249  -0.5950317     10.80471  
1 1 1 7   6   23 o 65.658  2.1675  2337.02    154.138  2367.85    215.807  2304.92    220.229  66.058  3.0163  65.169  3.1200  0.8882523      4.339658  
1 1 1 7   6   24 o 33.588  5.2371  630.486    184.310  602.644    258.373  659.332    262.997  32.443  7.5024  33.972  7.3603  -1.528721      10.50997  
1 1 1 7   6   25 o 43.752  4.1413  1053.63    193.912  1297.54    272.585  803.739    275.911  48.373  5.2888  37.539  7.0448  10.83431       8.809118  
1 1 1 7   6   26 o 12.241  5.5568  -91.4293   160.015  -255.0513  226.512  71.567     226.079  12.944  6.1201  17.930  7.3320  -4.986154      9.550572  
1 1 1 7   6   27 o 42.669  4.7366  1013.46    215.205  1260.19    308.435  779.385    300.414  47.231  6.1774  36.504  7.8327  10.72640       9.975492  
1 1 1 7   6   28 o 47.525  6.3643  1286.74    319.373  1268.54    419.033  1311.97    493.331  46.256  8.6829  46.418  10.100  -0.1624718     13.31895  
1 1 1 7   6   29 o 67.819  5.6348  2594.64    410.156  2974.02    591.495  2243.26    569.242  71.405  7.7737  61.293  8.8294  10.11254       11.76387  
1 1 1 7   6   30 o 14.949  3.3315  127.607    52.564   668.412    349.925  115.122    53.167   32.655  9.3912  14.184  3.4857  18.47070       10.01721  
1 1 1 7   6   31 o 26.385  1.9682  381.525    55.843   384.657    56.536   256.111    357.776  26.491  1.9848  23.658  9.3798  2.832798       9.587464  
1 1 1 7   6   32 o 25.796  8.1688  425.858    255.883  705.339    357.124  130.996    366.818  32.112  9.5581  21.150  9.0367  10.96198       13.15372  
1 1 1 7   6   33 o 44.992  1.1648  1101.13    56.760   19.194     332.734  1133.56    57.604   18.317  8.1889  45.649  1.1651  -27.33216      8.271397  
1 1 1 7   6   34 o 26.684  8.0242  500.840    250.748  337.952    335.385  707.286    377.574  22.713  9.0573  29.823  9.9588  -7.109978      13.46149  
1 1 1 7   6   35 o 21.084  8.7684  283.229    330.682  150.291    432.205  470.920    513.556  20.271  9.1742  24.204  10.519  -3.932983      13.95767  
1 1 1 7   6   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   7   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   7   1  o 146.460 3.1816  11620.32   504.696  11972.08   744.480  11321.20   686.532  148.633 4.6245  144.541 4.3853  4.091797       6.373160  
1 1 1 7   7   2  o 520.648 12.569  147501.70  7087.65  135752.70  10024.69 159244.80  10022.21 498.080 18.582  539.874 17.140  -41.79416      25.27984  
1 1 1 7   7   3  o 417.623 8.2728  94624.63   3742.02  91274.38   4582.50  101329.70  6482.83  409.955 10.320  431.452 13.873  -21.49704      17.29054  
1 1 1 7   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   7   5  f 95.345  2.6307  4923.74    271.670  5049.83    385.076  4798.79    383.329  96.552  3.6822  94.121  3.7602  2.431046       5.262901  
1 1 1 7   7   6  o 469.089 7.7957  119283.20  3960.77  118652.20  5601.54  119914.10  5601.22  467.613 11.060  470.098 11.001  -2.484894      15.59932  
1 1 1 7   7   7  o 543.263 10.308  160094.70  6065.05  172303.59  10506.65 153993.09  7427.55  562.765 17.237  532.564 12.877  30.20074       21.51581  
1 1 1 7   7   8  o 126.706 2.9646  8695.53    406.844  8451.33    561.021  8966.40    590.868  124.906 4.1469  128.655 4.2403  -3.749077      5.931020  
1 1 1 7   7   9  o 207.813 3.9153  23393.94   881.278  22818.19   1246.48  23969.40   1246.15  205.211 5.6081  210.327 5.4702  -5.115723      7.834140  
1 1 1 7   7   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   7   11 f 254.975 4.6065  35223.85   1272.15  36094.09   1800.37  34356.08   1797.81  258.047 6.4416  251.753 6.5933  6.294861       9.217635  
1 1 1 7   7   12 o 267.421 5.4920  38760.70   1590.72  37920.81   2752.76  39181.77   1949.10  264.282 9.6168  268.816 6.6944  -4.533539      11.71737  
1 1 1 7   7   13 o 268.643 5.4677  39123.35   1590.91  41529.83   1949.74  34329.30   2751.93  276.723 6.5052  251.334 10.109  25.38844       12.02136  
1 1 1 7   7   14 o 626.125 11.166  213451.59  7572.40  210369.80  9891.97  217813.91  11768.89 620.360 14.722  630.153 17.243  -9.792725      22.67309  
1 1 1 7   7   15 o 287.121 6.5999  44749.80   2052.45  48081.96   4687.20  43959.32   2282.95  296.266 14.607  284.487 7.4091  11.77902       16.37864  
1 1 1 7   7   16 o 271.794 5.2588  40075.50   1548.10  39036.95   2370.60  40847.72   2044.17  267.919 8.1693  274.230 6.8823  -6.310730      10.68193  
1 1 1 7   7   17 o 417.330 7.0817  94670.67   3201.03  92419.37   4526.52  96922.82   4527.37  411.532 10.155  421.514 9.9166  -9.981903      14.19397  
1 1 1 7   7   18 o 340.135 5.8941  62836.29   2171.41  63708.76   3071.31  61964.35   3070.36  342.001 8.2914  337.259 8.4053  4.741486       11.80663  
1 1 1 7   7   19 o 219.794 4.1610  26204.85   990.559  25851.51   1400.00  26559.06   1401.73  218.124 5.9259  221.098 5.8534  -2.973709      8.329367  
1 1 1 7   7   20 o 61.967  4.6331  2095.92    308.707  2506.66    440.422  1699.22    432.833  67.629  6.0775  55.368  7.4029  12.26070       9.578079  
1 1 1 7   7   21 o 93.835  3.7461  4777.01    380.726  4446.47    487.924  5291.54    608.763  90.329  5.0068  98.475  5.7323  -8.146355      7.611009  
1 1 1 7   7   22 o 39.628  1.3828  850.728    59.352   650.282    377.491  855.808    60.099   33.989  9.7480  39.747  1.3960  -5.757423      9.847496  
1 1 1 7   7   23 o 141.987 3.3721  10945.38   518.590  11244.76   716.623  10616.23   751.408  143.759 4.6024  139.630 4.9685  4.129517       6.772624  
1 1 1 7   7   24 o 92.442  3.0296  4641.17    303.333  4379.47    425.729  4911.02    432.302  89.656  4.3841  94.965  4.2030  -5.308167      6.073322  
1 1 1 7   7   25 o 95.069  3.0171  4914.52    310.669  5037.49    437.540  4789.50    441.188  96.068  4.2050  93.648  4.3496  2.420074       6.049908  
1 1 1 7   7   26 o 30.934  0.9499  518.481    31.827   97.782     235.435  526.312    32.122   18.759  7.5509  31.167  0.9516  -12.40729      7.610610  
1 1 1 7   7   27 o 12.458  5.7548  -140.2563  181.947  -278.2684  259.370  -6.5387    255.303  13.923  6.5727  17.374  7.4834  -3.450445      9.960013  
1 1 1 7   7   28 o 42.230  5.3124  1004.27    237.609  753.748    310.644  1357.50    368.869  35.603  8.2219  48.492  7.2453  -12.88947      10.95874  
1 1 1 7   7   29 o 56.650  6.3252  1835.01    381.474  1621.02    550.036  2033.32    529.519  51.085  10.297  58.418  8.6286  -7.333008      13.43408  
1 1 1 7   7   30 o 76.918  3.6077  3262.16    300.553  3546.69    634.668  3179.90    341.242  77.533  7.6577  75.603  4.1835  1.930107       8.725992  
1 1 1 7   7   31 o 82.384  2.9927  3731.02    267.043  3345.50    463.768  3922.25    326.626  76.400  5.6445  84.199  3.5816  -7.799263      6.684907  
1 1 1 7   7   32 o 23.017  7.9191  323.036    238.915  429.588    319.111  187.128    360.397  25.922  9.1377  21.849  9.1258  4.073101       12.91424  
1 1 1 7   7   33 o 56.304  4.3245  1831.14    261.709  1999.37    375.620  1672.41    364.840  57.073  6.1748  51.669  6.6754  5.404266       9.093410  
1 1 1 7   7   34 o 22.142  1.6192  269.586    38.563   268.237    38.673   505.922    511.901  22.084  1.6283  25.726  10.819  -3.641729      10.94069  
1 1 1 7   7   35 o 16.854  7.7380  -19.3446   321.981  -190.5332  418.887  227.853    503.364  17.049  8.1357  21.640  9.8360  -4.590931      12.76465  
1 1 1 7   7   36 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   8   2  o 494.949 16.658  133745.80  8930.26  133745.80  8930.26  0.0000     0.0000   494.949 16.658  ?       ?       0.000000       16.65840  
1 1 1 7   8   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   8   4  o 538.270 10.015  157247.30  5838.95  150288.70  7150.68  171170.80  10114.89 525.900 12.554  560.523 16.661  -34.62268      20.86101  
1 1 1 7   8   5  o 341.653 5.7190  63251.03   2116.29  61371.45   2992.99  65130.35   2992.78  336.432 8.2137  346.594 7.9723  -10.16211      11.44648  
1 1 1 7   8   6  o 434.467 7.2275  102309.50  3401.09  101563.80  4810.03  103055.10  4809.69  432.697 10.263  435.867 10.188  -3.170502      14.46153  
1 1 1 7   8   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   8   8  o 282.441 4.9828  43218.62   1524.30  44342.46   2156.18  42095.81   2155.19  286.034 6.9598  278.688 7.1400  7.346039       9.970847  
1 1 1 7   8   9  o 272.033 4.8798  40092.55   1437.78  38553.63   2033.40  41631.25   2033.24  266.701 7.0393  277.150 6.7734  -10.44952      9.768815  
1 1 1 7   8   10 o 493.043 8.2475  131820.00  4404.33  134185.50  6228.91  129454.80  6228.41  497.131 11.568  488.266 11.777  8.864777       16.50862  
1 1 1 7   8   11 o 493.300 8.1932  131980.80  4377.57  134645.09  6191.51  129317.60  6190.13  497.896 11.481  487.917 11.713  9.978699       16.40190  
1 1 1 7   8   12 o 821.322 15.471  367752.91  13762.33 373495.91  23837.02 364881.50  16855.36 822.295 26.764  816.711 19.055  5.584839       32.85420  
1 1 1 7   8   13 o 27.786  3.9200  426.623    114.696  628.175    163.786  232.667    160.670  33.734  4.6028  20.789  6.4569  12.94572       7.929515  
1 1 1 7   8   14 o 391.296 6.5681  83075.19   2783.64  81821.91   3936.56  84328.60   3936.77  387.954 9.3684  393.874 9.2281  -5.920319      13.15011  
1 1 1 7   8   15 o 182.226 5.1570  18008.94   1017.83  18359.36   1439.69  17658.77   1439.15  183.861 7.2295  180.309 7.3692  3.552185       10.32329  
1 1 1 7   8   16 o 343.233 6.3171  63961.62   2348.44  65826.30   3085.67  61394.59   3620.45  347.901 8.1889  335.645 9.9589  12.25635       12.89333  
1 1 1 7   8   17 o 199.520 3.8567  21582.22   833.446  21471.44   1178.09  21693.21   1179.25  198.896 5.4687  199.922 5.4460  -1.026367      7.717839  
1 1 1 7   8   18 o 35.551  4.6289  697.219    174.012  653.677    243.333  742.792    248.943  34.074  6.8312  36.419  6.5520  -2.344677      9.465351  
1 1 1 7   8   19 o 84.417  3.4435  3863.60    314.846  3807.86    388.730  3969.88    536.805  83.670  4.3041  85.282  5.8468  -1.612213      7.260207  
1 1 1 7   8   20 o 89.081  4.1972  4305.70    404.966  3895.52    572.749  4715.76    572.668  84.396  6.3114  92.976  5.7144  -8.579895      8.513982  
1 1 1 7   8   21 o 104.335 4.0117  5907.50    453.343  5914.65    607.759  5898.54    680.666  104.172 5.4051  103.942 6.0725  0.2298355      8.129627  
1 1 1 7   8   22 f 205.078 3.9618  22834.95   879.991  22276.95   1242.57  23396.41   1246.43  202.283 5.6714  207.326 5.5506  -5.043350      7.935658  
1 1 1 7   8   23 o 26.486  1.4287  381.188    40.833   595.970    56.948   153.923    58.580   33.164  1.5854  16.538  3.3844  16.62645       3.737352  
1 1 1 7   8   24 o 83.771  3.0813  3811.91    279.575  3597.06    392.118  4034.06    398.723  81.119  4.4803  86.058  4.2777  -4.938667      6.194537  
1 1 1 7   8   25 o 31.605  5.4424  563.080    179.576  419.283    251.452  712.757    256.541  27.185  8.0024  35.314  6.9546  -8.129269      10.60215  
1 1 1 7   8   26 o 56.764  1.8394  1748.40    113.090  1604.95    298.248  1772.49    122.216  53.785  5.1839  57.146  1.9746  -3.360386      5.547227  
1 1 1 7   8   27 o 63.807  3.4266  2229.89    235.945  2435.93    321.461  1989.26    347.401  66.436  4.4938  59.741  5.4282  6.695385       7.046933  
1 1 1 7   8   28 o 20.458  2.6355  231.763    57.039   470.814    291.590  222.252    58.163   28.366  8.6801  20.006  2.7575  8.360146       9.107551  
1 1 1 7   8   29 o 24.852  8.4752  345.244    273.513  424.812    340.981  201.670    458.035  27.364  9.4580  25.158  10.379  2.205717       14.04200  
1 1 1 7   8   30 o 72.668  5.4861  2994.88    428.613  2713.90    613.983  3261.96    598.610  66.977  8.6670  74.421  7.5301  -7.444061      11.48125  
1 1 1 7   8   31 o ?       ?       -333.3147  38.325   -509.2274  322.959  -330.8022  38.598   13.774  6.7104  ?       ?       0.000000       6.710373  
1 1 1 7   8   32 o 18.899  3.6117  205.646    71.236   177.613    72.592   935.285    370.350  17.460  3.9331  37.247  9.2277  -19.78697      10.03094  
1 1 1 7   8   33 o 18.089  7.4780  131.239    238.460  128.385    316.606  134.980    362.502  19.512  8.3677  20.363  8.8437  -0.8512192     12.17496  
1 1 1 7   8   34 o 26.567  8.0238  497.106    250.322  408.500    332.098  613.680    380.922  23.995  9.1696  27.821  9.9646  -3.825617      13.54159  
1 1 1 7   8   35 o 3.4895  1.7701  -124.6483  34.434   216.863    414.077  -127.0265  34.554   20.818  9.2315  3.4738  1.7633  17.34445       9.398438  
1 1 1 7   8   36 o 20.523  9.2213  214.193    427.566  214.193    427.566  0.0000     0.0000   20.523  9.2213  ?       ?       0.000000       9.221265  
1 1 1 7   9   0  o 261.421 4.6531  37035.21   1317.51  35761.72   1863.13  38309.02   1863.35  256.794 6.6987  265.795 6.4726  -9.000702      9.314857  
1 1 1 7   9   1  o 275.553 5.0382  41151.13   1503.67  40963.10   2126.56  41339.13   2126.47  274.816 7.1444  276.076 7.1115  -1.260406      10.08045  
1 1 1 7   9   2  o 274.208 4.8069  40745.57   1427.61  42343.23   2019.18  39148.62   2018.73  279.448 6.6712  268.686 6.9368  10.76184       9.624166  
1 1 1 7   9   3  o 602.181 20.104  198321.00  13112.43 0.0000     0.0000   198321.00  13112.43 ?       ?       602.181 20.104  0.000000       20.10416  
1 1 1 7   9   4  o 345.192 6.0479  64578.78   2261.16  60287.84   3197.45  68871.43   3198.08  333.382 8.8551  356.361 8.2857  -22.97946      12.12703  
1 1 1 7   9   5  o 446.294 7.5026  107972.20  3626.65  111878.70  5129.12  104066.50  5128.59  454.087 10.429  437.915 10.813  16.17218       15.02252  
1 1 1 7   9   6  o 665.448 15.570  240724.30  11222.17 238196.50  15871.03 243251.80  15870.07 660.656 22.180  667.683 21.945  -7.027710      31.20156  
1 1 1 7   9   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   9   8  o 372.569 6.3463  75221.25   2560.92  77737.74   3622.22  72706.23   3621.15  378.633 8.8326  366.158 9.1308  12.47443       12.70375  
1 1 1 7   9   9  o 553.692 9.2419  166275.91  5542.44  162652.30  7838.33  169899.41  7838.07  547.195 13.225  559.289 12.939  -12.09436      18.50224  
1 1 1 7   9   10 o 203.998 3.8129  22543.17   842.459  23905.76   1192.18  21184.06   1190.65  210.046 5.2403  197.721 5.5598  12.32489       7.640202  
1 1 1 7   9   11 o 199.250 4.7616  21510.90   1027.59  21808.59   1644.39  21320.16   1316.24  200.545 7.5705  198.331 6.1274  2.214127       9.739430  
1 1 1 7   9   12 o 207.152 5.5217  23259.28   1238.89  24596.63   1755.09  21931.15   1749.03  212.942 7.6097  201.054 8.0318  11.88757       11.06425  
1 1 1 7   9   13 o 316.169 6.5523  54217.09   2243.78  55779.57   3173.78  52655.77   3172.59  320.463 9.1439  311.333 9.4085  9.129578       13.11982  
1 1 1 7   9   14 o 256.833 4.5828  35755.80   1274.83  33621.24   1801.02  37899.17   1804.74  248.918 6.6802  264.309 6.3042  -15.39067      9.185271  
1 1 1 7   9   15 o 151.382 4.6307  12425.13   759.266  13698.28   1075.40  11159.69   1072.14  158.872 6.2496  143.363 6.9047  15.50880       9.313008  
1 1 1 7   9   16 o 197.256 3.8311  21091.50   818.512  20670.05   1156.91  21513.88   1158.19  195.180 5.4726  199.131 5.3700  -3.951187      7.667206  
1 1 1 7   9   17 o 144.371 3.2544  11296.52   508.885  11168.95   718.180  11425.15   721.174  143.496 4.6209  145.134 4.5878  -1.638062      6.511542  
1 1 1 7   9   18 o 54.824  2.1808  1628.41    129.500  1402.68    281.043  1689.26    145.913  50.569  5.2055  55.837  2.4127  -5.267597      5.737484  
1 1 1 7   9   19 o 167.521 4.9462  15233.15   897.448  16323.78   1269.59  14143.92   1268.77  173.239 6.7663  161.204 7.2667  12.03503       9.929105  
1 1 1 7   9   20 o 51.642  2.6893  1449.36    149.902  1370.88    161.496  1937.83    402.902  50.200  2.9837  59.350  6.3671  -9.150547      7.031547  
1 1 1 7   9   21 o 33.771  5.3530  635.035    189.266  591.040    262.729  682.497    272.883  32.273  7.6355  34.717  7.4780  -2.443916      10.68741  
1 1 1 7   9   22 o 198.299 3.8780  21348.62   832.913  20667.40   1175.80  22034.77   1180.05  194.851 5.5714  201.222 5.4144  -6.371262      7.768925  
1 1 1 7   9   23 o 120.302 3.0635  7854.40    399.168  7815.89    560.123  7894.13    569.001  119.881 4.3138  120.474 4.3606  -0.5929642     6.133873  
1 1 1 7   9   24 o 81.932  3.0805  3646.52    273.363  3597.27    383.726  3697.27    389.527  81.134  4.3829  82.256  4.3880  -1.122314      6.201987  
1 1 1 7   9   25 o 83.289  3.0788  3772.98    277.738  3713.27    389.891  3834.49    395.736  82.332  4.3881  83.670  4.3821  -1.338257      6.201452  
1 1 1 7   9   26 o 31.571  0.8719  540.019    29.814   475.912    41.018   611.826    43.412   29.630  1.2781  33.598  1.1929  -3.967690      1.748340  
1 1 1 7   9   27 o 120.799 3.1458  7959.88    411.595  7833.27    575.770  8092.19    588.609  119.404 4.4521  121.351 4.4783  -1.947075      6.314743  
1 1 1 7   9   28 o 31.397  2.0141  537.983    68.130   539.781    70.121   507.662    287.961  31.443  2.0706  29.304  8.5459  2.139374       8.793178  
1 1 1 7   9   29 o 80.967  3.6870  3605.09    323.332  3581.43    449.535  3630.46    465.399  79.938  5.2208  80.404  5.3751  -0.4664917     7.493194  
1 1 1 7   9   30 o 42.906  7.8436  1108.56    351.070  1313.90    488.605  889.424    504.764  45.357  10.194  36.732  11.451  8.624752       15.33086  
1 1 1 7   9   31 o 56.279  6.1253  1842.21    367.349  2085.93    492.175  1535.67    551.972  58.611  7.9588  47.950  10.878  10.66151       13.47865  
1 1 1 7   9   32 o 29.382  7.6274  553.088    244.863  545.111    325.738  563.453    371.295  28.499  9.2371  28.767  9.8737  -0.2680550     13.52083  
1 1 1 7   9   33 o 19.632  7.7169  204.778    240.236  123.312    320.502  309.240    362.930  19.504  8.3929  22.973  9.3299  -3.468786      12.54941  
1 1 1 7   9   34 o 40.182  6.2113  1018.70    261.608  1010.47    349.911  1029.12    393.927  37.425  8.7832  36.554  9.7645  0.8704376      13.13360  
1 1 1 7   9   35 o 36.730  8.9326  1027.25    351.936  955.022    463.423  1125.67    540.947  31.837  11.025  33.047  11.871  -1.209469      16.20054  
1 1 1 7   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   10  1  o 273.455 4.9554  40524.89   1467.69  40301.37   2075.64  40748.41   2075.62  272.602 7.0300  274.112 6.9912  -1.509888      9.914485  
1 1 1 7   10  2  o 157.653 3.2508  13463.72   555.090  13747.31   785.191  13180.38   784.840  159.283 4.5513  155.962 4.6461  3.320724       6.503909  
1 1 1 7   10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   10  4  f 228.352 4.0747  28248.36   1007.79  26401.18   1424.98  30096.81   1425.47  220.719 5.9607  235.671 5.5845  -14.95242      8.168023  
1 1 1 7   10  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   10  6  o 224.298 4.2039  27252.64   1021.28  27209.72   1444.70  27295.52   1443.91  224.090 5.9523  224.443 5.9397  -0.3532867     8.408916  
1 1 1 7   10  7  o 361.334 6.1585  70748.11   2410.22  70644.73   3408.86  70851.46   3408.28  360.962 8.7192  361.491 8.7050  -0.5285034     12.32077  
1 1 1 7   10  8  o 114.801 2.7390  7138.14    340.574  7772.04    482.866  6510.60    480.433  119.784 3.7218  109.631 4.0460  10.15314       5.497509  
1 1 1 7   10  9  o 696.370 11.468  263229.00  8649.33  273381.59  12232.43 253077.80  12231.58 708.904 15.931  681.948 16.560  26.95587       22.97923  
1 1 1 7   10  10 o 428.547 8.3951  99595.96   3896.67  97881.42   4772.75  103023.60  6748.30  424.686 10.376  435.282 14.314  -10.59558      17.67894  
1 1 1 7   10  11 f 477.928 9.1092  123935.50  4715.35  123594.10  8166.28  124106.30  5775.44  476.352 15.828  478.029 11.155  -1.677734      19.36375  
1 1 1 7   10  12 o 613.401 11.606  204560.80  7710.50  211582.20  9444.05  190523.91  13353.11 623.290 13.989  589.409 20.917  33.88165       25.16379  
1 1 1 7   10  13 o 186.480 3.5164  18840.77   710.228  20553.37   1005.01  17132.20   1003.82  194.735 4.7649  177.777 5.2133  16.95860       7.062773  
1 1 1 7   10  14 o 115.270 2.8633  7198.41    357.478  7200.08    502.318  7196.70    508.845  115.263 4.0236  115.235 4.0769  0.2819061E-01  5.728081  
1 1 1 7   10  15 o 189.435 4.7501  19458.33   974.624  18799.18   1244.07  20505.66   1568.18  186.118 6.1714  194.288 7.4521  -8.169769      9.675760  
1 1 1 7   10  16 o 197.136 4.0006  21067.87   854.203  21553.18   1142.85  20453.56   1285.80  199.316 5.2939  194.107 6.1159  5.209641       8.088871  
1 1 1 7   10  17 o 109.379 2.9254  6483.24    346.573  6353.60    499.650  6603.45    481.131  108.241 4.2619  110.357 4.0253  -2.115891      5.862289  
1 1 1 7   10  18 f 449.113 10.791  110318.70  5249.05  110203.30  7422.64  110434.10  7423.93  446.638 15.344  447.113 15.330  -0.4754639     21.68975  
1 1 1 7   10  19 o 128.017 4.4971  8892.35    623.545  9055.64    857.324  8708.96    908.555  129.080 6.1322  126.371 6.6615  2.709106       9.054214  
1 1 1 7   10  20 o 43.604  4.8459  1045.00    224.990  1154.07    371.881  982.030    282.573  45.371  7.8517  42.013  6.4130  3.358383       10.13786  
1 1 1 7   10  21 o 164.210 3.4800  14626.10   618.943  14291.62   872.858  14964.38   877.798  162.187 4.9689  165.970 4.8831  -3.782700      6.966644  
1 1 1 7   10  22 o 126.362 3.1754  8661.87    434.598  8562.50    611.268  8763.44    618.018  125.528 4.4959  126.993 4.4932  -1.464699      6.356254  
1 1 1 7   10  23 o 85.496  2.7796  3965.65    257.398  4145.95    330.947  3689.59    409.504  87.373  3.4971  82.210  4.6177  5.163170       5.792504  
1 1 1 7   10  24 o 15.534  6.3215  52.293     167.026  43.535     232.522  61.630     240.080  17.702  7.3565  18.303  7.5283  -0.6015453     10.52586  
1 1 1 7   10  25 o 82.410  3.0650  3693.80    273.576  3637.76    384.020  3751.55    389.834  81.489  4.3669  82.757  4.3646  -1.268402      6.174068  
1 1 1 7   10  26 o 108.094 2.9421  6359.81    344.448  6254.23    473.633  6478.35    501.836  106.942 4.0890  108.797 4.2587  -1.854538      5.903959  
1 1 1 7   10  27 o 28.941  7.1748  488.733    223.782  635.009    368.564  403.319    281.639  32.757  9.7009  26.732  8.5812  6.024755       12.95167  
1 1 1 7   10  28 o 77.408  3.3329  3277.59    279.434  3151.64    396.427  3401.96    393.944  75.330  4.8851  78.361  4.6626  -3.030945      6.753078  
1 1 1 7   10  29 o 64.192  2.3041  2245.12    160.196  2097.06    223.563  2401.38    229.663  61.743  3.3557  66.202  3.2030  -4.459255      4.638891  
1 1 1 7   10  30 o 69.733  2.7599  2661.85    208.447  2756.58    394.779  2625.23    245.451  69.814  5.2595  69.100  3.2796  0.7146835      6.198184  
1 1 1 7   10  31 f 40.485  7.9252  1008.02    335.075  1062.48    443.173  935.349    511.973  40.131  10.180  36.849  11.539  3.281914       15.38806  
1 1 1 7   10  32 o 30.780  7.4608  603.396    246.136  554.475    327.042  667.307    373.804  28.679  9.2514  30.958  9.8807  -2.278837      13.53573  
1 1 1 7   10  33 o 21.537  1.4471  254.053    33.561   4.1548     312.602  256.967    33.756   17.694  7.9219  21.661  1.4472  -3.966902      8.053008  
1 1 1 7   10  34 o 21.931  7.9862  320.030    245.963  -93.2766   326.049  865.846    374.688  16.516  7.6554  33.318  9.7574  -16.80158      12.40205  
1 1 1 7   10  35 o 25.591  9.3434  530.151    336.979  439.212    439.865  659.350    524.297  23.704  10.002  26.379  11.011  -2.675076      14.87580  
1 1 1 7   11  0  o 105.937 2.7213  6078.97    312.247  6193.91    441.522  5963.96    441.645  106.923 3.8125  104.919 3.8864  2.004402       5.444219  
1 1 1 7   11  1  o 179.332 3.5644  17422.29   692.336  16788.25   979.012  18056.58   979.209  176.005 5.1356  182.538 4.9528  -6.532074      7.134771  
1 1 1 7   11  2  o 354.213 8.6075  68072.41   3302.26  68013.71   4667.35  68131.24   4672.87  353.733 12.182  354.038 12.186  -0.3050842     17.23094  
1 1 1 7   11  3  o 499.894 16.784  136168.00  9087.43  0.0000     0.0000   136168.00  9087.43  ?       ?       499.894 16.784  0.000000       16.78391  
1 1 1 7   11  4  o 579.540 13.600  182524.20  8536.46  188309.91  12072.72 176739.20  12072.03 587.689 18.966  569.221 19.581  18.46765       27.26047  
1 1 1 7   11  5  o 247.392 4.4952  33155.59   1204.49  31886.51   1703.33  34424.88   1703.48  242.568 6.4833  252.044 6.2401  -9.476532      8.998438  
1 1 1 7   11  6  o 321.559 5.6115  56023.68   1954.36  55554.33   2764.20  56492.81   2763.58  320.129 7.9721  322.825 7.9038  -2.695343      11.22606  
1 1 1 7   11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   11  8  o 534.433 8.9474  154883.59  5179.17  151963.20  7324.76  157803.59  7324.15  529.004 12.784  539.101 12.543  -10.09698      17.90997  
1 1 1 7   11  9  o 649.527 10.787  228950.50  7588.53  234243.50  10732.19 223658.30  10731.42 656.337 15.097  641.274 15.451  15.06281       21.60184  
1 1 1 7   11  10 o 855.248 19.937  399268.31  18468.35 401861.59  26118.64 396675.31  26117.73 854.646 28.216  849.025 28.402  5.620789       40.03496  
1 1 1 7   11  11 o 208.666 4.4611  23591.00   1008.24  21678.14   1742.04  24554.50   1236.36  199.922 8.0451  212.862 5.3626  -12.94032      9.668521  
1 1 1 7   11  12 o 502.728 9.5707  137240.00  5211.29  143486.59  6383.27  124755.70  9024.04  513.739 11.472  477.822 17.437  35.91653       20.87202  
1 1 1 7   11  13 o 694.283 12.387  262508.31  9314.66  271643.91  12163.17 249552.41  14484.71 704.977 15.929  673.997 19.842  30.98010       25.44498  
1 1 1 7   11  14 o 86.662  2.6261  4068.49    246.495  4067.64    348.311  4069.34    348.884  86.639  3.7118  86.657  3.7171  -0.1805115E-01 5.253034  
1 1 1 7   11  15 o 214.431 4.7088  24932.10   1093.62  25060.17   1339.67  24676.24   1893.47  214.915 5.7552  213.058 8.2053  1.857498       10.02240  
1 1 1 7   11  16 o 94.243  3.1057  4813.00    317.013  4819.38    585.128  4810.35    377.163  94.057  5.7715  94.205  3.6964  -0.1477890     6.853789  
1 1 1 7   11  17 f 245.102 5.2037  32600.59   1381.42  31238.12   1691.83  35326.07   2392.85  239.786 6.5142  254.678 8.6747  -14.89145      10.84831  
1 1 1 7   11  18 o 91.648  4.1225  4555.31    409.217  4494.64    578.683  4615.99    578.756  90.774  5.9182  92.005  5.8381  -1.231064      8.313122  
1 1 1 7   11  19 o 197.705 5.4753  21228.66   1172.44  20960.67   1657.41  21497.09   1658.76  196.163 7.8008  198.671 7.7087  -2.507797      10.96709  
1 1 1 7   11  20 o 234.989 4.6391  29976.63   1180.74  28562.56   1565.33  31843.28   1798.47  229.146 6.3070  241.848 6.8658  -12.70291      9.322960  
1 1 1 7   11  21 o 113.311 3.0746  6961.91    377.333  6427.91    529.663  7512.21    537.685  108.801 4.4947  117.639 4.2199  -8.837845      6.165216  
1 1 1 7   11  22 o 101.430 2.9315  5579.74    322.054  5594.42    471.362  5566.89    441.054  101.479 4.2885  101.248 4.0219  0.2308502      5.879424  
1 1 1 7   11  23 o 190.309 4.0390  19689.29   832.534  19077.26   1174.31  20307.76   1180.48  186.947 5.7995  192.921 5.6495  -5.973801      8.096348  
1 1 1 7   11  24 o 92.371  3.0445  4635.08    304.592  4312.32    426.923  4969.71    434.699  88.944  4.4316  95.514  4.2019  -6.570549      6.107013  
1 1 1 7   11  25 o 79.381  3.0821  3427.57    264.991  3528.22    371.613  3323.46    377.975  80.261  4.2904  77.845  4.5021  2.415260       6.219043  
1 1 1 7   11  26 o 55.408  2.2255  1667.44    133.556  1788.62    149.411  1185.69    297.911  57.372  2.4044  45.904  6.1463  11.46843       6.599844  
1 1 1 7   11  27 f 74.399  3.3508  3022.85    270.017  3092.51    382.194  2953.45    381.530  74.797  4.7422  73.056  4.8493  1.741379       6.782626  
1 1 1 7   11  28 o 37.403  5.5760  794.463    218.987  674.240    324.920  894.525    296.426  33.507  8.8291  39.170  7.2541  -5.663471      11.42698  
1 1 1 7   11  29 o 65.703  2.4532  2354.05    174.578  1913.81    362.236  2487.24    199.244  58.057  5.8398  67.481  2.7260  -9.424355      6.444770  
1 1 1 7   11  30 o 87.888  2.6840  4226.13    255.492  4227.12    362.055  4225.15    360.591  87.442  3.8228  87.428  3.8080  0.1345825E-01  5.395789  
1 1 1 7   11  31 o 73.148  5.2128  3047.84    410.295  2781.66    553.833  3371.62    610.835  67.985  7.6546  74.919  7.6343  -6.934715      10.81089  
1 1 1 7   11  32 o 23.976  8.9593  345.513    312.981  418.617    409.305  242.584    485.672  26.029  10.118  24.223  10.375  1.805428       14.49194  
1 1 1 7   11  33 o 18.174  7.4801  137.509    237.215  212.117    314.154  38.542     361.820  20.794  8.5886  19.103  8.5400  1.690586       12.11183  
1 1 1 7   11  34 o 19.688  2.2656  216.796    47.430   479.397    426.000  213.500    47.727   25.205  10.153  19.526  2.3009  5.678602       10.41035  
1 1 1 7   11  35 o 23.904  1.6473  314.835    42.390   137.387    427.315  316.599    42.600   20.031  9.0884  23.971  1.6509  -3.939535      9.237093  
1 1 1 7   12  0  o 593.859 19.853  193008.09  12769.42 0.0000     0.0000   193008.09  12769.42 ?       ?       593.859 19.853  0.000000       19.85261  
1 1 1 7   12  1  o 147.990 3.1762  11863.60   509.111  12320.00   720.187  11407.70   719.797  150.792 4.4096  145.098 4.5801  5.693359       6.357830  
1 1 1 7   12  2  o 272.207 5.6177  40157.06   1656.27  40836.33   2866.51  39816.63   2029.29  274.302 9.6484  271.000 6.9136  3.302643       11.86968  
1 1 1 7   12  3  o 673.448 22.403  248161.00  16341.11 248161.00  16341.11 0.0000     0.0000   673.448 22.403  ?       ?       0.000000       22.40305  
1 1 1 7   12  4  o 708.738 23.530  274740.81  18062.28 274740.81  18062.28 0.0000     0.0000   708.738 23.530  ?       ?       0.000000       23.52971  
1 1 1 7   12  5  o 233.186 4.2261  29455.61   1067.35  29218.79   1509.60  29692.35   1509.32  232.212 6.0021  234.088 5.9530  -1.875336      8.453603  
1 1 1 7   12  6  o 196.486 3.8118  20912.33   811.207  21021.34   1148.22  20803.70   1146.22  196.976 5.3820  195.953 5.4007  1.022659       7.624478  
1 1 1 7   12  7  o 231.754 4.2088  29094.89   1056.47  30606.94   1494.66  27585.22   1493.48  237.670 5.8063  225.626 6.1114  12.04344       8.429836  
1 1 1 7   12  8  o 230.881 4.2728  28876.85   1068.49  28731.25   1511.57  29022.26   1510.59  230.262 6.0609  231.426 6.0265  -1.164032      8.547071  
1 1 1 7   12  9  o 760.375 14.519  314308.31  11957.23 310817.81  14644.99 321288.09  20709.30 755.391 17.900  765.917 24.964  -10.52545      30.71808  
1 1 1 7   12  10 o 947.001 19.084  489259.41  19574.87 501373.81  21461.96 429317.31  47740.27 958.040 20.683  866.433 51.098  91.60699       55.12552  
1 1 1 7   12  11 o 438.965 10.476  104627.70  4980.53  105076.60  7043.90  104178.90  7043.16  439.328 14.803  437.437 14.866  1.890381       20.97899  
1 1 1 7   12  12 o 508.299 9.6673  140314.30  5322.23  147749.70  6519.13  125453.90  9216.26  521.280 11.546  479.030 17.763  42.24942       21.18613  
1 1 1 7   12  13 o 181.881 3.4994  17923.06   689.370  19605.16   975.483  16244.87   974.351  190.188 4.7355  173.109 5.1967  17.07932       7.030682  
1 1 1 7   12  14 o 425.008 6.9390  98042.52   3194.22  101113.20  4517.49  94972.34   4517.12  431.154 9.6737  417.797 9.9822  13.35678       13.90057  
1 1 1 7   12  15 o 167.857 4.1923  15273.97   762.180  15622.93   878.292  14209.71   1533.81  169.738 4.7774  161.390 8.8078  8.347672       10.02005  
1 1 1 7   12  16 o 279.233 5.7837  42318.68   1749.21  45126.05   3028.56  40913.38   2142.74  287.769 9.7168  274.390 7.2099  13.37863       12.09955  
1 1 1 7   12  17 f 101.512 4.1041  5587.74    451.240  5648.02    639.802  5528.08    636.510  101.827 5.8253  100.732 5.8593  1.094376       8.262313  
1 1 1 7   12  18 o 139.671 5.0902  10588.13   770.037  11189.67   1088.99  9986.58    1089.00  143.440 7.0095  135.269 7.4618  8.171158       10.23771  
1 1 1 7   12  19 f 131.815 3.1500  9418.63    449.719  8507.38    632.893  10347.99   639.150  125.205 4.6670  138.110 4.2727  -12.90513      6.327497  
1 1 1 7   12  20 o 83.182  3.1258  3751.25    281.616  3708.72    401.661  3792.36    394.955  82.537  4.5101  83.477  4.3836  -0.9401627     6.289435  
1 1 1 7   12  21 o 192.962 4.1881  20211.81   875.295  20974.25   1107.32  18941.96   1429.04  196.443 5.2043  186.396 7.0784  10.04613       8.785729  
1 1 1 7   12  22 f 188.605 3.8071  19312.59   777.711  19605.44   1043.22  18946.22   1166.83  189.845 5.0735  186.503 5.7764  3.342072       7.688081  
1 1 1 7   12  23 o 48.357  2.3223  1267.99    121.628  1252.08    133.141  1348.19    299.007  47.977  2.5715  49.383  5.6947  -1.405830      6.248384  
1 1 1 7   12  24 o 159.445 3.4403  13823.11   594.119  14154.17   837.859  13488.30   842.583  161.036 4.8037  157.165 4.9498  3.871262       6.897533  
1 1 1 7   12  25 o 106.295 3.0295  6145.33    348.778  6246.06    490.063  6041.94    496.493  106.944 4.2308  105.155 4.3593  1.789093       6.074785  
1 1 1 7   12  26 o 95.104  3.0691  4925.60    316.142  5331.32    452.775  4539.64    441.619  98.695  4.2356  91.016  4.4798  7.679169       6.165133  
1 1 1 7   12  27 o 19.514  7.0930  180.391    193.890  11.694     265.023  374.665    284.404  17.974  7.6805  26.026  8.6412  -8.052053      11.56111  
1 1 1 7   12  28 o 32.270  6.0530  600.015    203.792  657.273    287.216  541.959    289.207  33.239  8.0609  30.187  8.4898  3.051683       11.70708  
1 1 1 7   12  29 o 48.465  4.6028  1314.21    238.712  1274.62    327.928  1358.84    348.160  46.935  6.6357  48.396  6.8320  -1.460907      9.524111  
1 1 1 7   12  30 o 53.456  1.9647  1556.06    113.750  1795.37    348.182  1527.47    120.354  55.971  5.8289  52.942  2.0989  3.029755       6.195319  
1 1 1 7   12  31 o 48.970  2.9739  1323.51    156.987  1175.71    169.504  2214.84    416.257  46.001  3.4267  61.556  6.3338  -15.55495      7.201359  
1 1 1 7   12  32 o 28.352  9.1536  542.478    320.115  653.731    419.066  386.612    496.026  30.310  10.485  26.127  10.792  4.182230       15.04631  
1 1 1 7   12  33 o 17.133  7.2893  83.006     236.835  -111.3522  313.704  340.609    361.156  16.335  7.5494  23.440  9.3813  -7.105345      12.04167  
1 1 1 7   12  34 o 26.464  8.9673  521.968    306.179  874.300    518.352  333.167    379.447  30.829  11.528  22.787  9.4275  8.042435       14.89208  
1 1 1 7   12  35 o 18.515  8.2134  113.232    328.072  302.698    428.264  -155.8725  510.396  21.876  9.5547  18.596  8.9029  3.279570       13.05968  
1 1 1 7   13  0  o 333.438 5.7641  60260.11   2081.68  59168.70   2943.78  61351.76   2944.11  330.262 8.2296  336.310 8.0825  -6.047455      11.53482  
1 1 1 7   13  1  o 543.765 18.205  161393.50  10722.06 0.0000     0.0000   161393.50  10722.06 ?       ?       543.765 18.205  0.000000       18.20525  
1 1 1 7   13  2  o 584.163 19.500  186342.41  12337.67 0.0000     0.0000   186342.41  12337.67 ?       ?       584.163 19.500  0.000000       19.49973  
1 1 1 7   13  3  o 568.758 13.383  175794.59  8244.28  172303.70  11659.33 179285.41  11659.02 562.062 19.152  573.416 18.773  -11.35388      26.81818  
1 1 1 7   13  4  o 183.732 3.9855  18286.51   793.125  18843.45   1121.59  17729.46   1121.70  186.486 5.5529  180.886 5.7254  5.599335       7.975863  
1 1 1 7   13  5  o 496.715 8.3485  133760.70  4491.45  132242.91  6352.03  135278.30  6351.71  493.613 11.881  499.258 11.746  -5.645325      16.70725  
1 1 1 7   13  6  o 219.531 4.7396  26108.55   1126.96  26336.60   1380.21  25652.38   1952.05  220.470 5.7800  217.528 8.2852  2.941345       10.10213  
1 1 1 7   13  7  o 527.610 8.8224  150939.80  5041.59  150409.09  7130.17  151470.41  7129.60  526.352 12.507  528.211 12.462  -1.858521      17.65578  
1 1 1 7   13  8  o 123.894 2.9780  8313.98    399.619  7735.25    566.781  8886.07    563.526  119.494 4.3792  128.078 4.0623  -8.583748      5.973255  
1 1 1 7   13  9  f 353.700 6.0603  67795.82   2321.65  71791.78   3283.93  63802.86   3282.70  363.865 8.3327  342.995 8.8363  20.86942       12.14554  
1 1 1 7   13  10 o 471.522 8.9876  120605.20  4590.04  119908.00  7948.60  120954.10  5622.18  469.366 15.635  472.008 10.997  -2.641479      19.11559  
1 1 1 7   13  11 o 599.476 11.508  195256.20  7471.89  189941.20  9151.51  205883.59  12940.69 590.735 14.303  613.710 19.468  -22.97510      24.15753  
1 1 1 7   13  12 o 136.197 3.0262  10048.37   446.418  10186.21   630.249  9909.58    632.416  137.109 4.2440  135.233 4.3177  1.875870       6.054252  
1 1 1 7   13  13 f 351.969 5.8500  67176.19   2230.12  70950.08   3154.24  63404.09   3153.49  361.509 8.0558  341.694 8.5209  19.81482       11.72606  
1 1 1 7   13  14 o 133.158 3.1322  9606.83    451.738  9969.52    625.888  9212.45    652.661  135.621 4.2609  130.360 4.6224  5.261124       6.286655  
1 1 1 7   13  15 o 298.622 6.0956  48396.35   1971.54  47905.06   2414.65  49378.90   3414.76  296.938 7.5079  301.010 10.474  -4.072296      12.88685  
1 1 1 7   13  16 o 169.547 5.3476  15597.47   982.028  16256.50   1260.09  14578.04   1567.20  172.996 6.7250  163.400 8.8888  9.596466       11.14614  
1 1 1 7   13  17 o 109.937 4.0619  6553.62    483.661  6732.74    699.990  6389.99    669.057  111.203 5.8321  108.338 5.7221  2.864632       8.170415  
1 1 1 7   13  18 o 141.314 3.7294  10827.58   570.809  10499.42   983.584  10994.22   700.915  138.983 6.5340  142.355 4.5459  -3.372604      7.959822  
1 1 1 7   13  19 o 62.748  3.2734  2140.31    221.699  2018.19    308.457  2270.80    318.862  60.799  4.7212  64.526  4.5924  -3.727612      6.586315  
1 1 1 7   13  20 o 81.956  3.1510  3641.60    279.703  3646.59    398.396  3636.74    392.783  81.840  4.5119  81.734  4.4537  0.1053467      6.339792  
1 1 1 7   13  21 o 53.716  3.7325  1573.08    215.808  2015.71    299.998  1098.35    310.681  60.750  4.5933  44.418  6.6634  16.33188       8.093127  
1 1 1 7   13  22 o 36.034  5.0549  719.967    191.854  835.956    265.583  593.378    277.451  38.614  6.5865  32.289  7.9795  6.325005       10.34668  
1 1 1 7   13  23 o 48.749  3.6539  1298.40    191.523  1226.08    251.347  1398.53    295.744  47.178  4.9948  50.335  5.5149  -3.157726      7.440625  
1 1 1 7   13  24 o 63.725  3.3652  2213.88    231.443  2186.23    322.307  2243.31    332.552  63.116  4.7496  63.924  4.8390  -0.8075371     6.780473  
1 1 1 7   13  25 o 60.855  3.3689  2022.47    221.184  2104.36    308.097  1935.38    317.727  61.852  4.6327  59.225  4.9999  2.626766       6.816188  
1 1 1 7   13  26 o 23.203  6.9253  304.161    187.287  350.253    290.296  271.297    245.125  25.651  8.7314  23.019  8.0156  2.631733       11.85271  
1 1 1 7   13  27 o 78.952  2.7742  3395.52    237.231  2953.46    388.619  3658.10    299.512  73.014  4.9433  81.832  3.3792  -8.818649      5.987944  
1 1 1 7   13  28 o 82.616  3.2654  3732.84    292.193  3790.98    411.598  3673.78    414.869  82.735  4.6115  81.397  4.7261  1.337883       6.603211  
1 1 1 7   13  29 o 61.090  3.9794  2066.83    261.868  1976.98    353.519  2176.07    389.810  59.111  5.5879  61.898  5.8853  -2.786110      8.115527  
1 1 1 7   13  30 o 16.931  7.0200  64.991     211.049  211.857    288.228  -104.7747  309.885  21.827  8.4889  17.299  7.8042  4.527992       11.53110  
1 1 1 7   13  31 o ?       ?       -146.4279  32.411   24.270     341.030  -147.9838  32.558   19.604  8.5452  ?       ?       0.000000       8.545191  
1 1 1 7   13  32 o 49.217  6.8706  1489.87    356.263  1342.95    467.936  1692.49    549.500  43.778  10.078  48.597  10.727  -4.819256      14.71811  
1 1 1 7   13  33 o 20.116  8.4638  173.047    313.534  -118.9285  408.948  589.413    488.351  18.322  8.5202  27.724  10.969  -9.401558      13.88930  
1 1 1 7   13  34 o 21.812  8.3986  311.343    279.948  47.162     422.491  518.119    373.781  19.655  8.9637  25.896  9.7680  -6.240456      13.25750  
1 1 1 7   13  35 o 44.618  7.9052  1407.67    368.046  1196.72    484.914  1694.33    565.266  35.718  11.238  42.260  11.864  -6.542187      16.34102  
1 1 1 7   14  0  o 367.994 6.2720  73403.76   2499.88  74826.53   2886.03  69128.59   5002.76  371.491 7.1727  356.586 12.953  14.90527       14.80647  
1 1 1 7   14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   14  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   14  3  o 331.619 5.3623  59586.51   1926.01  59285.00   2723.92  59887.98   2723.66  330.691 7.6050  332.370 7.5659  -1.679260      10.72752  
1 1 1 7   14  4  o 413.658 8.1015  92766.54   3629.73  93252.22   4444.84  91794.34   6288.74  414.630 9.8975  411.034 14.126  3.596130       17.24823  
1 1 1 7   14  5  o 448.067 8.7486  108851.90  4245.73  107706.00  5199.37  111145.00  7355.44  445.567 10.774  452.245 15.016  -6.678192      18.48146  
1 1 1 7   14  6  o 479.444 8.0584  124609.30  4184.64  124188.80  5918.27  125029.60  5917.67  478.394 11.422  480.014 11.382  -1.620056      16.12496  
1 1 1 7   14  7  o 645.333 12.433  226092.59  8690.08  208174.30  15053.30 235048.80  10642.55 617.493 22.508  657.629 14.942  -40.13574      27.01557  
1 1 1 7   14  8  o 731.954 13.872  291096.31  10997.68 294447.00  19050.61 289421.41  13468.63 733.767 23.971  729.234 17.052  4.532532       29.41734  
1 1 1 7   14  9  o 258.192 4.6081  36115.93   1288.66  38532.18   1824.55  33710.85   1820.33  266.643 6.3176  249.391 6.7390  17.25189       9.237281  
1 1 1 7   14  10 o 508.095 9.6959  140084.09  5335.87  139870.91  9240.65  140190.80  6535.55  506.701 16.838  508.037 11.877  -1.336609      20.60521  
1 1 1 7   14  11 o 325.918 6.4439  57585.81   2274.70  58856.17   2786.91  55050.47   3937.11  329.411 7.8111  318.302 11.420  11.10895       13.83587  
1 1 1 7   14  12 o 403.035 6.6929  88093.16   2921.64  90802.34   4131.83  85384.02   4131.81  408.913 9.3291  396.491 9.6214  12.42255       13.40163  
1 1 1 7   14  13 o 110.147 2.7708  6572.33    330.564  6790.57    463.890  6347.18    471.170  111.946 3.8259  108.226 4.0195  3.719666       5.549255  
1 1 1 7   14  14 o 381.066 6.4641  78800.47   2667.94  83879.97   3773.64  73724.23   3772.43  392.803 8.8698  368.159 9.4605  24.64331       12.96825  
1 1 1 7   14  15 o 102.341 4.0516  5677.48    449.100  5724.78    634.421  5629.97    635.828  102.558 5.7343  101.697 5.7965  0.8613358      8.153627  
1 1 1 7   14  16 o 291.268 7.3054  46110.59   2304.65  50392.91   3259.55  41829.79   3258.98  304.034 9.8984  276.811 10.870  27.22232       14.70151  
1 1 1 7   14  17 o 125.938 4.4152  8602.28    602.252  8411.87    877.339  8771.96    828.208  124.253 6.5422  127.091 6.0166  -2.838455      8.888219  
1 1 1 7   14  18 o 98.875  2.9968  5298.48    320.929  5329.51    456.895  5268.27    450.889  99.124  4.2557  98.554  4.2240  0.5699387      5.996061  
1 1 1 7   14  19 o 128.884 3.1934  9004.72    445.788  8786.21    618.061  9241.66    643.592  127.249 4.4844  130.501 4.5533  -3.252441      6.390824  
1 1 1 7   14  20 o 148.308 3.3332  11926.95   535.424  10705.06   758.009  13143.65   756.399  140.394 4.9849  155.608 4.4880  -15.21342      6.707526  
1 1 1 7   14  21 o 113.085 3.0901  6934.72    378.481  6668.56    530.582  7210.46    540.049  110.817 4.4205  115.238 4.3268  -4.421249      6.185659  
1 1 1 7   14  22 o 21.922  6.7708  261.616    176.950  197.985    244.088  332.100    256.894  21.470  7.9339  25.094  8.2069  -3.623459      11.41488  
1 1 1 7   14  23 o 98.000  3.0484  5213.21    323.566  5353.12    453.090  5067.60    462.230  99.200  4.2170  96.497  4.4226  2.703308       6.110810  
1 1 1 7   14  24 o 127.746 3.1651  8869.07    437.930  9236.68    616.406  8494.42    622.288  130.158 4.3725  124.773 4.6047  5.385040       6.349934  
1 1 1 7   14  25 o 22.978  2.6422  290.646    64.562   1105.80    247.358  231.055    66.880   44.603  5.2190  20.374  3.1309  24.22813       6.086057  
1 1 1 7   14  26 o 46.492  4.4130  1194.56    219.557  1249.43    296.115  1127.58    327.209  47.189  5.9241  44.479  7.0253  2.710293       9.189692  
1 1 1 7   14  27 o 42.796  1.7797  994.268    82.492   584.427    285.491  1031.60    86.167   31.460  8.2695  43.589  1.8251  -12.12904      8.468545  
1 1 1 7   14  28 o 96.114  3.1963  5050.81    332.739  4568.33    464.612  5558.82    476.752  90.776  4.7420  100.412 4.3837  -9.636429      6.457781  
1 1 1 7   14  29 o 99.905  3.3135  5475.48    358.544  5144.48    491.621  5851.57    524.045  96.207  4.7180  102.607 4.7154  -6.400330      6.670432  
1 1 1 7   14  30 o 32.487  6.6490  626.776    226.075  720.501    304.205  511.157    337.874  34.192  8.2983  28.898  9.4101  5.294237       12.54635  
1 1 1 7   14  31 o 40.611  5.5528  957.112    237.847  803.695    325.656  1132.51    348.208  35.625  8.5489  42.975  7.7667  -7.350437      11.55015  
1 1 1 7   14  32 o 16.199  7.1109  5.1401     239.862  -113.7441  311.805  177.479    375.416  16.602  7.6196  21.715  9.2056  -5.113390      11.94996  
1 1 1 7   14  33 o 20.926  1.9454  242.135    43.587   345.843    495.240  241.325    43.756   24.436  10.472  20.888  1.9569  3.548416       10.65314  
1 1 1 7   14  34 o 17.667  2.5420  176.683    47.243   378.658    419.275  174.085    47.546   23.588  9.8468  17.523  2.5826  6.064957       10.17986  
1 1 1 7   14  35 o 18.119  2.4629  185.957    47.080   471.751    429.102  182.475    47.366   24.051  9.9941  17.931  2.5074  6.119291       10.30383  
1 1 1 7   15  0  o 422.940 10.008  97079.84   4584.71  85856.73   6482.88  108309.10  6484.64  397.202 15.069  446.350 13.413  -49.14792      20.17417  
1 1 1 7   15  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   15  2  o 488.676 11.538  129652.20  6107.08  136193.20  8637.32  123112.90  8636.11  500.277 15.940  475.526 16.768  24.75189       23.13549  
1 1 1 7   15  3  o 555.764 13.040  167764.30  7849.13  153602.41  11100.04 181927.91  11100.65 530.860 19.305  578.028 17.731  -47.16803      26.21208  
1 1 1 7   15  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   15  5  o 291.559 4.9044  46052.29   1548.76  43861.78   2189.95  48244.07   2190.59  284.483 7.1074  298.366 6.7786  -13.88361      9.821638  
1 1 1 7   15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   15  7  o 599.271 9.9185  194795.70  6437.80  195593.41  9104.75  193998.09  9104.11  600.020 14.010  597.561 14.066  2.459656       19.85297  
1 1 1 7   15  8  o 506.024 8.3857  138838.59  4596.02  139661.30  6500.10  138016.00  6499.40  507.216 11.832  504.212 11.901  3.003754       16.78194  
1 1 1 7   15  9  o 621.632 10.209  209684.41  6873.62  219396.80  9721.62  199975.41  9719.92  635.292 14.128  606.411 14.799  28.88129       20.46013  
1 1 1 7   15  10 o 543.020 11.568  160147.59  6803.80  162190.50  10580.12 158707.09  8884.52  545.379 17.911  540.010 15.190  5.368164       23.48506  
1 1 1 7   15  11 o 759.195 14.288  313815.81  11748.88 322694.09  14390.00 296063.81  20347.92 768.909 17.279  733.077 25.627  35.83221       30.90810  
1 1 1 7   15  12 o 412.762 6.9214  92409.30   3094.32  91787.28   4375.96  93031.34   4376.09  411.046 9.8291  413.831 9.7632  -2.784851      13.85392  
1 1 1 7   15  13 o 121.898 2.9394  8049.82    388.081  7877.82    548.344  8222.43    549.317  120.567 4.1991  123.178 4.1174  -2.610573      5.880908  
1 1 1 7   15  14 o 174.516 4.0828  16507.23   771.727  16234.42   944.622  17054.75   1338.22  173.030 5.0404  177.245 6.9708  -4.215012      8.602208  
1 1 1 7   15  15 o 326.544 9.4178  58048.96   3330.90  58323.59   4021.69  57449.05   5943.96  326.929 11.358  322.507 17.077  4.421692       20.50913  
1 1 1 7   15  16 o 340.011 8.3564  62909.61   3077.40  63256.97   4351.73  62562.12   4352.47  340.135 11.812  338.243 11.881  1.891968       16.75358  
1 1 1 7   15  17 f 222.005 4.1788  26727.85   1004.81  26113.18   1419.49  27345.16   1422.54  219.279 5.9768  224.405 5.8528  -5.125992      8.365191  
1 1 1 7   15  18 o 131.286 3.1303  9342.29    445.120  9418.88    626.947  9264.45    632.072  131.768 4.3929  130.680 4.4657  1.088364       6.264172  
1 1 1 7   15  19 o 119.887 3.0383  7790.73    394.521  7403.87    554.365  8187.73    561.579  116.814 4.3816  122.851 4.2205  -6.036514      6.083627  
1 1 1 7   15  20 o 128.889 3.1899  9007.24    445.305  9241.70    631.940  8775.98    627.594  130.480 4.4716  127.144 4.5573  3.335945       6.384694  
1 1 1 7   15  21 o 123.978 3.1172  8335.44    418.580  8039.44    587.469  8640.67    596.559  121.669 4.4579  126.144 4.3663  -4.474747      6.240032  
1 1 1 7   15  22 o 18.985  6.7271  170.455    173.163  -50.8838   237.269  422.702    253.294  16.257  7.1060  27.511  8.0127  -11.25326      10.70977  
1 1 1 7   15  23 o 54.946  3.6110  1647.52    213.701  1728.88    296.437  1559.49    308.353  56.114  4.9273  53.190  5.4284  2.924149       7.331160  
1 1 1 7   15  24 o 155.160 3.3857  13091.81   568.975  12969.71   807.485  13212.22   801.850  154.103 4.8379  155.558 4.7592  -1.455154      6.786358  
1 1 1 7   15  25 o 15.427  1.5496  130.337    25.542   128.236    25.600   593.597    380.193  15.299  1.5670  32.229  9.9198  -16.93004      10.04276  
1 1 1 7   15  26 o 116.605 3.2002  7409.35    404.174  7342.29    563.102  7480.61    580.470  115.727 4.4924  116.781 4.5892  -1.054054      6.422052  
1 1 1 7   15  27 o 55.900  3.9210  1720.53    235.896  1595.04    319.589  1870.73    349.649  53.348  5.6153  57.804  5.6573  -4.455769      7.970929  
1 1 1 7   15  28 o 64.114  3.5170  2258.86    243.297  2054.48    347.444  2455.50    340.800  60.555  5.3526  66.461  4.7660  -5.906277      7.166920  
1 1 1 7   15  29 o 44.632  2.6206  1091.28    126.127  1718.09    352.479  999.239    135.071  54.862  6.0314  42.637  2.9429  12.22486       6.711096  
1 1 1 7   15  30 o 19.728  7.4232  183.796    215.581  87.553     288.140  306.174    324.917  19.496  8.1529  24.328  9.1211  -4.831505      12.23379  
1 1 1 7   15  31 f 18.397  7.3486  129.434    221.134  -181.4613  296.772  517.522    331.575  15.808  7.3189  28.577  9.3227  -12.76877      11.85239  
1 1 1 7   15  32 o 32.377  7.5732  675.753    260.848  680.841    332.501  667.611    420.639  31.396  9.1908  30.336  10.504  1.059832       13.95707  
1 1 1 7   15  33 o 18.207  8.0251  52.694     308.337  -39.6673   400.089  187.787    483.869  18.905  8.6597  22.513  9.9813  -3.608158      13.21432  
1 1 1 7   15  34 o 16.807  7.6776  -31.5845   311.608  -229.6105  403.550  260.848    490.398  16.815  8.0131  22.528  10.015  -5.713028      12.82635  
1 1 1 7   15  35 o 42.103  8.2237  1283.48    361.562  1310.01    474.040  1246.58    559.066  38.256  10.908  34.291  12.094  3.964741       16.28657  
1 1 1 7   16  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   16  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   16  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   16  3  o 409.003 7.8421  90683.75   3473.99  91123.25   4253.99  89803.80   6019.29  409.891 9.5820  406.596 13.668  3.294220       16.69237  
1 1 1 7   16  4  o 140.007 2.8158  10616.80   426.991  10730.38   603.884  10503.24   603.830  140.746 3.9614  139.248 4.0037  1.498032       5.632223  
1 1 1 7   16  5  o 454.110 7.4084  111769.50  3643.80  111758.50  5153.30  111780.50  5152.92  453.899 10.482  453.944 10.480  -0.4492188E-01 14.82292  
1 1 1 7   16  6  o 661.597 12.765  237644.20  9147.28  229169.80  11202.45 254598.59  15845.34 649.236 15.931  683.225 21.413  -33.98932      26.68874  
1 1 1 7   16  7  o 308.994 5.3752  51730.47   1798.94  50709.61   2544.47  52750.72   2543.71  305.854 7.6809  311.955 7.5284  -6.100708      10.75518  
1 1 1 7   16  8  o 596.305 9.7899  192889.09  6322.91  194129.91  8942.28  191648.50  8941.61  597.724 13.813  593.878 13.901  3.845032       19.59667  
1 1 1 7   16  9  o 408.837 8.8291  90655.64   3909.63  91468.91   6100.02  90088.66   5093.27  410.230 13.729  407.340 11.544  2.890411       17.93747  
1 1 1 7   16  10 o 367.075 8.8860  73098.28   3532.91  70137.04   4996.16  76059.84   4996.43  359.222 12.841  374.135 12.330  -14.91315      17.80228  
1 1 1 7   16  11 o 96.447  2.4384  5038.31    254.714  5191.92    379.616  4912.51    343.523  97.897  3.5802  95.228  3.3306  2.668427       4.889839  
1 1 1 7   16  12 o 409.341 7.4759  90912.11   3314.51  90572.48   4344.00  91385.35   5127.73  408.300 9.8229  409.876 11.551  -1.576050      15.16262  
1 1 1 7   16  13 o 172.106 3.5052  16049.19   653.399  15453.85   925.256  16641.43   922.839  168.837 5.0597  175.212 4.8629  -6.374283      7.017694  
1 1 1 7   16  14 o 119.287 4.1835  7712.84    540.505  7793.72    762.141  7630.99    766.658  119.859 5.8708  118.445 5.9956  1.413483       8.391249  
1 1 1 7   16  15 o 183.764 5.1516  18316.95   1025.36  18614.11   1455.74  18024.38   1444.47  185.104 7.2610  182.143 7.3219  2.960632       10.31179  
1 1 1 7   16  16 o 326.840 6.5778  58026.59   2328.56  64219.72   4033.44  54930.60   2851.80  342.945 10.859  317.719 8.2872  25.22607       13.65982  
1 1 1 7   16  17 o 155.161 3.3433  13049.51   561.854  12673.43   791.979  13430.57   797.210  152.838 4.7842  157.344 4.6779  -4.505508      6.691178  
1 1 1 7   16  18 o 90.037  2.7325  4393.08    266.471  4656.58    398.340  4179.66    358.495  92.664  3.9689  87.796  3.7700  4.867432       5.474037  
1 1 1 7   16  19 o 218.726 4.1423  25952.96   981.328  25147.88   1385.57  26763.27   1390.06  215.111 5.9470  221.933 5.7828  -6.822693      8.295031  
1 1 1 7   16  20 o 157.408 3.4161  13436.89   582.407  13306.39   820.874  13569.16   826.450  156.532 4.8418  158.071 4.8272  -1.539322      6.836980  
1 1 1 7   16  21 o 87.535  3.0818  4155.24    292.184  3988.07    407.564  4332.01    419.099  85.581  4.4119  89.317  4.3322  -3.736122      6.183291  
1 1 1 7   16  22 o 43.963  4.2141  1059.75    198.205  1287.85    273.042  805.657    288.179  48.353  5.3005  37.754  7.3115  10.59829       9.030665  
1 1 1 7   16  23 o 105.513 3.0310  6043.71    346.388  5906.07    485.168  6186.81    494.706  104.176 4.2998  106.626 4.2837  -2.449249      6.069468  
1 1 1 7   16  24 o 62.185  2.3873  2098.58    160.791  2346.54    308.471  2006.07    188.412  65.450  4.3767  60.770  2.8625  4.679249       5.229666  
1 1 1 7   16  25 o 63.964  2.1465  2220.81    148.707  2248.36    208.453  2192.26    212.204  64.290  2.9936  63.474  3.0866  0.8160629      4.299867  
1 1 1 7   16  26 o 100.733 3.1747  5529.52    346.369  5193.71    479.678  5895.36    500.677  97.309  4.5512  103.701 4.4577  -6.391586      6.370572  
1 1 1 7   16  27 o 92.322  3.2024  4652.97    320.224  4471.21    442.056  4853.66    464.508  90.028  4.5482  93.906  4.5670  -3.878288      6.445400  
1 1 1 7   16  28 o 41.585  4.9287  970.779    217.674  851.367    292.535  1118.91    325.823  38.107  7.3540  43.928  7.0895  -5.820740      10.21481  
1 1 1 7   16  29 o 70.539  2.7343  2718.85    208.906  2727.79    371.307  2714.71    252.695  69.794  4.9438  70.338  3.3169  -0.5435257     5.953437  
1 1 1 7   16  30 o 65.097  3.8954  2353.64    273.391  2323.18    369.657  2390.41    406.187  63.954  5.3867  64.603  5.8691  -0.6485977     7.966317  
1 1 1 7   16  31 o 76.419  3.7506  3245.16    310.431  3288.38    433.428  3199.63    444.824  75.806  5.3125  74.594  5.5454  1.211853       7.679405  
1 1 1 7   16  32 f 45.446  5.1902  1213.28    250.896  1108.42    338.519  1341.08    373.729  41.477  7.8222  45.702  7.8318  -4.224987      11.06909  
1 1 1 7   16  33 o 14.209  3.6973  118.560    57.446   468.893    326.472  107.366    58.357   25.752  9.2248  13.549  3.8148  12.20300       9.982424  
1 1 1 7   16  34 o 21.339  8.7304  276.460    320.747  387.946    415.440  111.932    504.683  23.624  9.8267  21.174  9.7091  2.450361       13.81414  
1 1 1 7   16  35 o 31.609  9.3767  810.699    344.126  668.242    447.736  1016.32    537.917  26.878  10.545  31.055  11.717  -4.176746      15.76317  
1 1 1 7   17  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   17  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   17  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   17  3  o 377.139 9.1172  77128.37   3724.19  75080.43   5266.98  79176.01   5266.61  371.841 13.078  381.875 12.733  -10.03397      18.25282  
1 1 1 7   17  4  o 437.240 8.2348  103639.90  3899.83  101053.40  4775.38  108819.00  6757.31  431.631 10.215  447.604 13.938  -15.97311      17.28053  
1 1 1 7   17  5  o 286.870 5.0901  44584.11   1581.55  42245.36   2236.69  46922.67   2236.60  279.183 7.3969  294.245 7.0179  -15.06183      10.19631  
1 1 1 7   17  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   17  7  o 446.193 7.5721  107919.30  3659.40  107018.20  5175.52  108820.00  5174.83  444.111 10.760  447.841 10.668  -3.730194      15.15202  
1 1 1 7   17  8  o 224.296 4.3040  27253.83   1045.60  26125.16   1479.79  28379.18   1477.61  219.563 6.2226  228.845 5.9614  -9.282257      8.617362  
1 1 1 7   17  9  o 867.110 28.825  413846.31  27071.24 0.0000     0.0000   413846.31  27071.24 ?       ?       867.110 28.825  0.000000       28.82463  
1 1 1 7   17  10 o 329.705 6.2093  58921.44   2217.39  63543.42   2717.56  49714.77   3835.46  342.333 7.3293  302.513 11.706  39.82004       13.81104  
1 1 1 7   17  11 o 322.541 5.9031  56394.60   2062.21  58925.08   2713.84  52936.86   3172.34  329.592 7.6022  312.263 9.3797  17.32852       12.07361  
1 1 1 7   17  12 f 297.833 5.2706  48083.95   1700.20  49675.80   2404.67  46492.69   2404.24  302.587 7.3373  292.714 7.5834  9.873474       10.55194  
1 1 1 7   17  13 o 139.524 4.7286  10552.43   714.578  10443.04   947.164  10696.95   1088.68  138.747 6.3027  140.205 7.1934  -1.457626      9.563950  
1 1 1 7   17  14 o 123.435 4.3346  8259.31    579.505  8275.76    793.256  8240.49    848.631  123.505 5.9301  123.058 6.3890  0.4463806      8.716955  
1 1 1 7   17  15 o 104.142 3.3452  5877.48    377.324  6360.65    632.450  5610.46    470.166  108.280 5.3927  101.728 4.2672  6.552071       6.876821  
1 1 1 7   17  16 o 122.011 3.5461  8069.16    468.620  9630.80    797.291  7244.91    579.235  133.211 5.5259  115.576 4.6272  17.63551       7.207430  
1 1 1 7   17  17 o 250.678 4.5671  34087.90   1240.02  33402.53   1752.41  34775.22   1754.90  247.930 6.5258  252.989 6.4044  -5.058975      9.143460  
1 1 1 7   17  18 o 146.731 3.4217  11671.84   543.792  11442.28   744.014  11935.11   796.769  145.212 4.7305  148.291 4.9608  -3.079437      6.854707  
1 1 1 7   17  19 o 191.899 3.8063  19972.14   791.120  18825.08   1118.15  21121.93   1119.47  186.154 5.5457  197.216 5.2408  -11.06238      7.630301  
1 1 1 7   17  20 o 93.204  2.6819  4708.58    270.740  4985.03    379.224  4421.19    386.652  95.866  3.6522  90.269  3.9547  5.596718       5.383143  
1 1 1 7   17  21 o 128.966 3.1781  9020.65    443.934  9275.81    623.986  8759.12    631.721  130.688 4.4083  126.980 4.5932  3.707588       6.366394  
1 1 1 7   17  22 o 111.298 2.9961  6720.02    361.175  6583.21    499.124  6870.39    523.289  110.069 4.1867  112.434 4.2971  -2.365044      5.999457  
1 1 1 7   17  23 o 46.109  3.9960  1164.91    197.590  1049.81    271.789  1293.92    287.764  43.432  5.9329  48.360  5.5973  -4.928879      8.156530  
1 1 1 7   17  24 o 22.407  1.1099  272.033    26.936   58.798     223.720  275.169    27.133   17.683  7.2696  22.536  1.1116  -4.852646      7.354094  
1 1 1 7   17  25 o 49.505  1.7920  1329.38    96.085   1381.65    135.057  1275.81    136.728  50.432  2.4725  48.383  2.6189  2.049232       3.601648  
1 1 1 7   17  26 o 24.500  7.0181  343.526    195.770  223.607    260.582  498.917    296.628  22.134  8.1939  29.378  8.7034  -7.244408      11.95364  
1 1 1 7   17  27 o 75.732  3.3624  3133.70    275.803  2872.38    377.068  3434.36    404.461  72.004  4.8635  78.796  4.7615  -6.792351      6.806263  
1 1 1 7   17  28 o 48.543  4.3951  1310.14    228.578  1351.01    308.837  1260.62    339.909  48.783  5.9697  46.735  6.9246  2.047684       9.142606  
1 1 1 7   17  29 o 42.916  1.9560  1002.04    90.920   1023.38    93.827   673.646    368.077  43.366  1.9976  32.965  9.6757  10.40135       9.879777  
1 1 1 7   17  30 o 65.599  2.1970  2347.01    156.101  1746.23    219.833  2958.03    221.699  56.130  3.6355  73.487  2.7854  -17.35757      4.579883  
1 1 1 7   17  31 o 63.776  2.0860  2220.79    144.093  1810.65    202.892  2638.18    204.677  57.152  3.2916  69.312  2.7264  -12.15984      4.274107  
1 1 1 7   17  32 o 3.9451  1.9255  -49.6847   26.936   95.130     297.247  -50.8837   27.047   18.954  8.1174  3.9295  1.9204  15.02423       8.341497  
1 1 1 7   17  33 o 20.258  7.9534  228.551    254.892  181.241    309.681  327.923    448.814  20.140  8.4394  23.800  10.076  -3.660009      13.14345  
1 1 1 7   17  34 f 53.048  7.7195  1908.81    430.525  1570.82    571.958  2350.66    653.954  41.452  12.031  52.232  11.834  -10.78026      16.87564  
1 1 1 7   17  35 o 11.314  3.1580  74.845     40.173   358.193    419.160  72.218     40.359   22.453  9.6284  11.130  3.1860  11.32374       10.14187  
1 1 1 7   18  0  o 843.894 27.988  390849.50  25581.97 0.0000     0.0000   390849.50  25581.97 ?       ?       843.894 27.988  0.000000       27.98825  
1 1 1 7   18  1  o 442.223 14.938  106299.70  7154.71  0.0000     0.0000   106299.70  7154.71  ?       ?       442.223 14.938  0.000000       14.93759  
1 1 1 7   18  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   18  3  o 706.209 15.930  271134.31  12184.69 317554.00  17233.55 224733.80  17229.97 763.228 20.847  641.188 24.810  122.0402       32.40606  
1 1 1 7   18  4  o 515.553 12.178  144262.50  6800.03  142485.09  9616.92  146039.70  9616.47  511.781 17.349  518.154 17.135  -6.373077      24.38460  
1 1 1 7   18  5  o 606.031 14.220  199511.91  9333.74  194204.80  13200.10 204818.59  13199.69 596.943 20.416  613.139 19.876  -16.19647      28.49361  
1 1 1 7   18  6  o 419.874 7.0066  95546.99   3186.35  98063.41   4506.72  93031.77   4505.64  425.209 9.7856  414.140 10.045  11.06927       14.02339  
1 1 1 7   18  7  o 501.279 8.2616  136237.70  4485.55  137026.09  6343.93  135449.50  6343.13  502.441 11.657  499.536 11.724  2.905487       16.53306  
1 1 1 7   18  8  o 523.783 8.6682  148777.20  4917.57  151134.00  6955.14  146421.20  6953.84  527.566 12.172  519.253 12.364  8.313049       17.35037  
1 1 1 7   18  9  o 746.601 16.973  303618.59  13725.26 0.0000     0.0000   303618.59  13725.26 ?       ?       746.601 16.973  0.000000       16.97313  
1 1 1 7   18  10 f 115.982 3.3219  7286.82    417.297  7610.32    513.844  6660.18    715.153  118.522 4.0028  110.689 5.9874  7.832809       7.202206  
1 1 1 7   18  11 o 177.585 3.5898  17085.02   690.472  17372.48   978.044  16799.38   974.915  179.040 5.0436  176.060 5.1125  2.979736       7.181608  
1 1 1 7   18  12 o 283.636 7.1346  43646.04   2191.81  43509.84   3098.92  43782.37   3100.46  282.936 10.112  283.823 10.086  -0.8874207     14.28224  
1 1 1 7   18  13 o 259.418 7.7435  36541.38   2175.74  36074.36   2658.13  37489.48   3787.36  257.581 9.5278  261.741 13.405  -4.159668      16.44576  
1 1 1 7   18  14 o 109.430 4.0278  6490.64    477.395  6227.84    678.426  6748.40    671.897  106.978 5.8777  111.537 5.5618  -4.559242      8.091974  
1 1 1 7   18  15 o 260.716 4.6700  36860.32   1318.72  35279.06   1863.06  38448.03   1866.86  254.876 6.7488  266.106 6.4772  -11.23053      9.354172  
1 1 1 7   18  16 o 164.087 5.3076  14610.70   943.287  14738.74   1215.94  14417.17   1494.86  164.697 6.8165  162.518 8.5220  2.178574       10.91279  
1 1 1 7   18  17 o 193.432 4.0082  20289.02   839.741  19785.34   1122.21  20929.93   1265.88  190.913 5.4271  196.310 5.9536  -5.397110      8.055979  
1 1 1 7   18  18 o 75.434  2.5439  3083.41    207.847  3264.40    265.456  2796.64    334.137  77.604  3.1582  71.671  4.3246  5.933090       5.355042  
1 1 1 7   18  19 o 324.804 5.6448  57319.44   1985.83  54483.71   2806.66  60162.14   2810.11  316.097 8.1978  332.266 7.8085  -16.16962      11.32152  
1 1 1 7   18  20 o 89.503  2.7253  4342.20    264.197  4255.12    389.521  4416.38    359.540  88.553  4.0613  90.231  3.6789  -1.678543      5.479803  
1 1 1 7   18  21 o 40.418  2.3407  888.381    102.029  824.552    108.911  1346.06    291.637  38.914  2.5990  49.436  5.5420  -10.52243      6.121165  
1 1 1 7   18  22 o 56.652  2.4120  1740.06    148.001  1773.75    167.433  1619.66    316.517  57.189  2.7031  54.259  5.4600  2.930325       6.092520  
1 1 1 7   18  23 o 88.782  3.0308  4279.55    291.442  4034.47    405.932  4540.27    418.685  85.974  4.3737  91.335  4.2323  -5.361549      6.086211  
1 1 1 7   18  24 o 100.583 2.8642  5496.35    312.034  5275.76    459.118  5685.71    425.375  98.346  4.3102  102.171 3.8439  -3.824524      5.775245  
1 1 1 7   18  25 o 55.962  2.4001  1701.06    145.476  1746.31    286.042  1685.28    168.960  56.269  4.7375  55.601  2.8148  0.6680336      5.510645  
1 1 1 7   18  26 o 67.579  3.4961  2499.09    255.026  2373.37    347.649  2645.58    375.253  65.515  4.9355  69.158  5.0445  -3.643288      7.057324  
1 1 1 7   18  27 o 70.857  3.5859  2753.64    274.304  2933.28    384.342  2567.15    391.609  72.746  4.9066  67.877  5.3705  4.868980       7.274437  
1 1 1 7   18  28 o 51.678  1.9837  1451.89    111.030  1492.11    117.691  1126.45    334.775  52.379  2.0745  43.976  7.2835  8.403000       7.573135  
1 1 1 7   18  29 o 121.239 3.2700  8064.60    429.404  6949.31    578.228  9435.93    641.176  111.726 4.7783  130.362 4.5411  -18.63544      6.591913  
1 1 1 7   18  30 o 17.852  7.2060  103.904    215.072  -21.9506   287.531  263.754    324.047  17.736  7.7855  23.450  9.0341  -5.714228      11.92593  
1 1 1 7   18  31 o 3.3901  1.7110  -97.6333   29.733   289.835    295.620  -101.5929  29.884   23.164  8.6971  3.3522  1.6946  19.81139       8.860704  
1 1 1 7   18  32 o 20.370  7.6423  233.566    228.173  512.410    303.915  -126.6577  345.427  27.377  8.9251  17.188  7.9361  10.18875       11.94321  
1 1 1 7   18  33 o 15.165  2.9854  132.475    47.290   126.232    47.714   478.615    355.283  14.771  3.0821  25.836  9.5670  -11.06513      10.05121  
1 1 1 7   18  34 o 29.404  9.7177  691.576    359.836  648.996    435.693  782.937    638.204  27.667  10.520  28.275  11.996  -0.6080208     15.95473  
1 1 1 7   18  35 o 31.706  9.3572  813.170    343.410  1176.62    445.678  282.036    538.768  36.548  10.624  22.190  10.121  14.35720       14.67305  
1 1 1 7   19  0  o 62.059  2.2010  2085.86    147.946  1977.94    167.786  2462.95    313.632  60.431  2.5634  67.289  4.3263  -6.857811      5.028689  
1 1 1 7   19  1  o 293.500 10.359  46729.57   3293.10  0.0000     0.0000   46729.57   3293.10  ?       ?       293.500 10.359  0.000000       10.35924  
1 1 1 7   19  2  o 491.632 11.598  131164.09  6175.94  120080.00  8733.68  142250.30  8734.51  469.825 17.163  511.541 15.765  -41.71561      23.30437  
1 1 1 7   19  3  o 305.935 10.729  50774.79   3555.32  0.0000     0.0000   50774.79   3555.32  ?       ?       305.935 10.729  0.000000       10.72949  
1 1 1 7   19  4  o 772.811 40.962  332422.00  34164.52 332422.00  34164.52 0.0000     0.0000   772.811 40.962  ?       ?       0.000000       40.96238  
1 1 1 7   19  5  o 270.164 4.7268  39540.66   1383.13  40373.68   1956.29  38708.06   1955.78  272.950 6.6173  267.256 6.7565  5.693451       9.457215  
1 1 1 7   19  6  o 225.391 4.2641  27519.53   1040.97  27209.44   1472.45  27829.36   1471.86  224.084 6.0668  226.624 5.9964  -2.539871      8.530099  
1 1 1 7   19  7  o 233.998 4.4304  29662.68   1122.86  29707.18   1589.35  29618.33   1586.58  234.134 6.2673  233.784 6.2658  0.3503723      8.862287  
1 1 1 7   19  8  o 495.900 9.3959  133394.70  5046.65  128947.90  8739.07  135619.59  6181.56  486.724 16.577  499.823 11.419  -13.09912      20.12929  
1 1 1 7   19  9  o 330.065 8.0945  59078.25   2893.75  58155.98   4092.54  60000.37   4092.22  327.249 11.546  332.412 11.366  -5.162933      16.20204  
1 1 1 7   19  10 o 406.589 6.9073  89631.76   3041.83  91073.42   4302.70  88191.30   4300.90  409.613 9.6983  403.065 9.8518  6.548279       13.82443  
1 1 1 7   19  11 o 195.352 4.4106  20678.99   933.224  21228.73   1143.12  19580.42   1615.94  197.905 5.3329  189.971 7.8536  7.933441       9.493076  
1 1 1 7   19  12 o 219.273 5.8336  26070.69   1385.46  27737.24   1959.77  24405.65   1958.89  226.049 8.0045  212.005 8.5309  14.04352       11.69818  
1 1 1 7   19  13 o 261.762 6.6901  37182.14   1896.74  37558.68   2681.42  36805.04   2683.37  262.823 9.4196  260.161 9.5229  2.661682       13.39456  
1 1 1 7   19  14 o 136.173 3.0516  10047.11   450.076  10186.09   636.485  9908.12    636.521  137.077 4.2870  135.192 4.3470  1.885178       6.105313  
1 1 1 7   19  15 o 145.138 3.2105  11415.15   504.694  11518.79   708.967  11308.67   718.622  145.750 4.4910  144.410 4.5944  1.339767       6.424814  
1 1 1 7   19  16 o 165.108 5.3452  14793.78   955.876  14695.01   1516.89  14858.84   1231.05  164.069 8.5658  165.359 6.8735  -1.289474      10.98261  
1 1 1 7   19  17 o 105.172 2.8978  5994.27    330.094  6005.73    478.011  5983.82    456.387  105.233 4.1939  105.047 4.0112  0.1856689      5.803346  
1 1 1 7   19  18 o 203.331 3.9235  22421.08   864.076  21322.14   1216.58  23539.76   1227.47  198.134 5.6691  208.207 5.4431  -10.07248      7.859093  
1 1 1 7   19  19 o 133.303 3.1669  9633.25    457.239  9682.85    641.614  9582.07    651.774  133.579 4.4347  132.876 4.5288  0.7027740      6.338501  
1 1 1 7   19  20 o 208.860 4.2553  23676.39   962.630  23245.84   1281.36  24234.22   1458.50  206.767 5.7216  211.014 6.3815  -4.246902      8.570958  
1 1 1 7   19  21 o 89.767  2.7792  4369.08    270.213  3928.39    349.347  5025.39    426.326  85.077  3.7912  96.208  4.0913  -11.13098      5.577812  
1 1 1 7   19  22 o 56.684  2.4507  1742.19    150.458  1746.12    170.675  1728.48    318.703  56.738  2.7773  56.088  5.3094  0.6503487      5.991935  
1 1 1 7   19  23 o 53.119  3.6205  1540.84    207.056  1399.04    285.019  1699.31    301.301  50.352  5.3061  55.588  5.0597  -5.236279      7.331794  
1 1 1 7   19  24 o 69.248  2.4195  2602.96    181.471  2146.09    322.595  2814.46    219.493  62.486  4.8034  71.977  2.8155  -9.491299      5.567711  
1 1 1 7   19  25 f 57.924  3.5482  1835.75    221.534  2231.34    318.048  1462.94    308.752  63.666  4.6443  51.251  5.6563  12.41526       7.318677  
1 1 1 7   19  26 o 85.094  3.2274  3947.87    297.458  3656.16    408.603  4276.77    433.871  81.469  4.6499  88.160  4.5594  -6.691231      6.512266  
1 1 1 7   19  27 f 112.642 3.1008  6924.47    378.302  6327.55    514.698  7625.83    557.911  107.250 4.4308  117.763 4.3741  -10.51302      6.226130  
1 1 1 7   19  28 o 77.537  2.6208  3278.25    220.099  3011.34    366.811  3428.41    275.133  73.649  4.6218  79.158  3.2090  -5.508911      5.626620  
1 1 1 7   19  29 o 39.677  5.3615  896.929    224.508  737.958    275.526  1211.03    387.288  35.146  7.4683  44.873  8.2734  -9.727283      11.14563  
1 1 1 7   19  30 f 23.228  7.6824  311.661    224.875  151.355    292.177  544.611    352.212  20.706  8.3846  29.645  9.6048  -8.938540      12.74961  
1 1 1 7   19  31 o 18.120  7.4171  106.886    231.635  224.614    324.395  -15.5844   330.864  22.276  8.8996  18.692  8.2722  3.583363       12.15042  
1 1 1 7   19  32 o 24.205  7.7376  380.566    229.167  681.765    305.912  -4.6308    345.949  31.533  8.6819  18.534  8.3133  12.99919       12.02026  
1 1 1 7   19  33 o 16.485  7.2967  16.144     257.557  358.692    391.530  -245.1625  341.963  23.788  9.6792  15.666  7.4400  8.122862       12.20821  
1 1 1 7   19  34 o 56.936  6.8646  2112.78    414.784  2032.31    507.798  2274.11    719.015  52.464  9.2756  47.895  13.357  4.568775       16.26180  
1 1 1 7   19  35 o 21.464  8.9508  308.430    345.919  536.348    422.391  -155.7518  602.795  25.033  10.101  19.611  9.4617  5.422506       13.84005  
1 1 1 7   20  0  o 561.425 18.725  171618.50  11386.12 0.0000     0.0000   171618.50  11386.12 ?       ?       561.425 18.725  0.000000       18.72466  
1 1 1 7   20  1  o 400.893 9.6316  87158.32   4182.12  87655.45   5914.65  86661.27   5914.19  401.755 13.592  399.464 13.669  2.291138       19.27706  
1 1 1 7   20  2  o 364.600 12.516  72158.65   4942.65  0.0000     0.0000   72158.65   4942.65  ?       ?       364.600 12.516  0.000000       12.51621  
1 1 1 7   20  3  o 382.875 9.2198  79488.09   3823.41  81943.10   5407.82  77034.38   5406.40  388.511 12.851  376.666 13.252  11.84564       18.46004  
1 1 1 7   20  4  o 257.083 5.3656  35807.61   1494.05  36518.89   2591.93  35453.68   1828.35  259.514 9.2213  255.781 6.5997  3.732880       11.33969  
1 1 1 7   20  5  o 808.890 26.796  358312.19  23475.87 358312.19  23475.87 0.0000     0.0000   808.890 26.796  ?       ?       0.000000       26.79551  
1 1 1 7   20  6  o 98.439  2.3981  5248.31    255.682  4832.33    362.028  5662.28    361.152  94.453  3.5388  102.244 3.2612  -7.791451      4.812366  
1 1 1 7   20  7  o 404.456 6.8108  88661.11   2983.59  93585.02   4220.74  83743.29   4218.13  415.385 9.3814  392.902 9.9121  22.48315       13.64772  
1 1 1 7   20  8  o 182.388 4.0571  18020.60   801.453  16016.08   1383.25  19033.58   983.324  171.882 7.4302  187.432 4.8438  -15.54977      8.869590  
1 1 1 7   20  9  o 458.295 8.8079  113932.70  4372.09  114651.40  5355.78  112497.10  7569.60  459.551 10.760  454.630 15.372  4.920746       18.76418  
1 1 1 7   20  10 o 532.819 10.160  154152.41  5863.23  154823.09  7180.79  152810.70  10155.87 533.627 12.424  529.067 17.723  4.560364       21.64398  
1 1 1 7   20  11 o 126.573 4.2866  8681.09    587.656  8694.68    834.956  8667.75    827.240  126.635 6.0875  126.440 6.0405  0.1951141      8.575868  
1 1 1 7   20  12 o 314.271 7.7876  53610.35   2650.79  52845.02   3749.35  54375.22   3748.22  311.649 11.108  316.150 10.946  -4.501221      15.59477  
1 1 1 7   20  13 o 265.627 5.4424  38263.61   1565.79  37651.80   2713.24  38569.09   1917.26  263.120 9.5206  266.595 6.6399  -3.475311      11.60731  
1 1 1 7   20  14 o 127.696 2.9824  8835.01    412.491  8694.39    585.102  8973.96    581.614  126.643 4.2656  128.665 4.1735  -2.022758      5.967733  
1 1 1 7   20  15 o 314.149 5.4568  53547.55   1856.72  51137.30   2624.10  55964.07   2627.51  306.678 7.9000  320.879 7.5602  -14.20087      10.93464  
1 1 1 7   20  16 f 146.003 3.7475  11556.17   592.612  11881.13   726.567  10910.37   1024.27  148.007 4.5324  141.706 6.6735  6.300232       8.067125  
1 1 1 7   20  17 o 460.305 8.3351  115403.30  4155.54  110250.00  5439.30  122628.00  6440.34  448.884 11.188  472.774 12.577  -23.89011      16.83301  
1 1 1 7   20  18 o 44.017  3.8643  1058.77    182.366  1102.70    248.972  1007.93    267.874  44.765  5.2338  42.663  5.9598  2.102093       7.931743  
1 1 1 7   20  19 o 240.626 4.4425  31421.89   1157.83  32199.69   1637.25  30643.79   1637.58  243.343 6.2119  237.366 6.3696  5.976852       8.897188  
1 1 1 7   20  20 o 132.994 3.1621  9590.57    455.490  9916.86    629.361  9231.67    660.056  135.167 4.2989  130.386 4.6739  4.780319       6.350281  
1 1 1 7   20  21 f 273.024 5.0806  40531.34   1502.39  39331.75   2295.03  41430.89   1987.41  268.189 7.9009  275.640 6.6569  -7.450592      10.33148  
1 1 1 7   20  22 f 162.784 3.4811  14386.86   613.756  13984.18   899.972  14736.97   839.178  160.242 5.1854  164.580 4.7077  -4.337662      7.003603  
1 1 1 7   20  23 o 11.956  5.4622  -105.3276  157.760  -234.4350  212.860  52.020     234.990  12.684  5.9777  17.965  7.4248  -5.280876      9.532054  
1 1 1 7   20  24 f 94.099  2.8062  4810.70    286.005  5036.43    430.693  4632.63    382.524  96.100  4.1378  92.213  3.8300  3.886856       5.638297  
1 1 1 7   20  25 o 33.784  5.1307  640.352    181.835  565.432    257.155  715.270    257.151  31.225  7.6613  35.310  6.9714  -4.084976      10.35837  
1 1 1 7   20  26 o 71.162  2.5227  2753.99    194.443  2311.81    338.650  2971.46    237.492  64.657  4.8715  73.859  2.9688  -9.201950      5.704841  
1 1 1 7   20  27 o 122.410 3.1893  8182.02    422.851  8061.18    581.166  8317.96    616.389  121.040 4.4330  122.864 4.6319  -1.823929      6.411427  
1 1 1 7   20  28 o 103.002 3.1647  5804.03    353.059  5626.57    484.572  6004.83    515.460  100.927 4.4328  104.202 4.5672  -3.274529      6.364690  
1 1 1 7   20  29 o 48.927  4.4719  1339.02    234.359  1108.21    290.409  1770.04    396.846  43.779  6.3066  55.264  6.7716  -11.48569      9.253487  
1 1 1 7   20  30 o 46.931  2.2326  1201.71    113.485  996.378    321.345  1230.97    121.301  40.673  7.5733  47.479  2.3588  -6.806332      7.932110  
1 1 1 7   20  31 o 46.281  4.9831  1229.84    245.853  1278.61    329.285  1168.40    369.567  46.135  6.7932  43.126  8.2118  3.008343       10.65743  
1 1 1 7   20  32 o 30.359  7.2847  596.324    236.476  891.768    316.840  224.777    355.311  36.578  8.2001  21.833  9.0852  14.74507       12.23856  
1 1 1 7   20  33 o 35.224  7.6310  827.382    282.718  1153.53    430.136  579.318    375.132  38.995  10.103  27.702  9.8921  11.29341       14.13915  
1 1 1 7   20  34 o 19.190  8.4723  119.192    345.026  -60.2479   401.281  627.985    675.710  18.127  8.4330  26.491  11.768  -8.363934      14.47740  
1 1 1 7   20  35 o 9.2920  3.7527  26.924     58.364   494.101    398.642  16.691     59.000   24.475  9.8346  8.9195  3.7061  15.55529       10.50977  
1 1 1 7   21  0  o 373.659 7.4427  75674.27   3012.15  76258.26   3688.12  74504.41   5220.02  375.023 9.0798  370.447 13.010  4.576172       15.86513  
1 1 1 7   21  1  o 408.633 9.6193  90552.85   4257.42  103478.10  6022.36  77640.12   6019.44  436.598 12.735  378.031 14.701  58.56714       19.45053  
1 1 1 7   21  2  o 503.072 11.893  137343.30  6480.18  138207.09  9164.73  136479.59  9163.98  504.129 16.784  500.956 16.889  3.173645       23.81114  
1 1 1 7   21  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   21  4  o 369.698 7.3882  74079.24   2958.40  74629.70   5127.86  73804.63   3621.95  370.763 12.769  368.935 9.0641  1.828247       15.65930  
1 1 1 7   21  5  o 252.714 4.8774  34599.00   1335.02  34864.92   2316.62  34466.78   1633.55  253.589 8.4344  252.207 5.9800  1.381454       10.33925  
1 1 1 7   21  6  o 631.435 14.797  216708.30  10119.87 215988.00  14312.71 217428.30  14310.60 629.229 21.001  631.339 20.928  -2.110596      29.64833  
1 1 1 7   21  7  o 485.948 9.3495  128084.00  4920.96  130667.70  8521.11  126791.10  6027.72  490.085 16.053  483.296 11.515  6.789337       19.75589  
1 1 1 7   21  8  o 550.412 12.869  164592.91  7672.17  171666.41  10850.94 157521.59  10849.23 561.284 17.849  537.514 18.635  23.76996       25.80438  
1 1 1 7   21  9  o 451.731 8.8951  110703.60  4352.12  108732.70  5331.09  114641.80  7535.65  447.484 10.999  458.931 15.160  -11.44620      18.73010  
1 1 1 7   21  10 o 349.698 8.5365  66355.33   3233.28  66066.66   4573.29  66643.82   4571.82  348.592 12.113  350.118 12.056  -1.525726      17.08993  
1 1 1 7   21  11 o 136.888 4.4664  10154.31   662.206  10181.36   950.125  10128.75   923.447  137.023 6.4020  136.673 6.2382  0.3498993      8.938706  
1 1 1 7   21  12 o 355.006 6.9898  68383.05   2687.62  73052.70   4658.87  66053.88   3290.32  366.284 11.743  348.722 8.7114  17.56247       14.62172  
1 1 1 7   21  13 o 206.782 3.9145  23173.31   876.721  23480.23   1239.76  22866.27   1239.99  208.072 5.5011  205.329 5.5757  2.742432       7.832652  
1 1 1 7   21  14 o 127.982 2.9543  8874.64    409.520  8777.04    578.711  8972.53    579.589  127.244 4.1991  128.654 4.1594  -1.410477      5.910374  
1 1 1 7   21  15 o 209.919 3.9904  23888.97   907.283  23843.64   1280.33  23934.69   1285.87  209.611 5.6394  210.010 5.6531  -0.3987274     7.985063  
1 1 1 7   21  16 o 244.944 5.1665  32556.57   1370.66  31592.78   1677.58  34491.96   2377.25  241.160 6.4225  251.657 8.7216  -10.49646      10.83123  
1 1 1 7   21  17 o 335.496 5.8297  61128.43   2118.38  59264.71   2995.47  62993.11   2996.23  329.844 8.3847  340.120 8.1334  -10.27567      11.68140  
1 1 1 7   21  18 o 152.051 3.3223  12533.16   547.135  12122.79   770.204  12951.22   777.376  149.460 4.7578  154.490 4.6458  -5.029968      6.649851  
1 1 1 7   21  19 o 90.738  2.9837  4463.11    293.231  4550.59    407.929  4369.58    421.801  91.584  4.1124  89.734  4.3399  1.849190       5.978841  
1 1 1 7   21  20 o 120.449 3.0759  7866.16    401.273  8130.65    567.730  7602.13    567.242  122.388 4.2828  118.334 4.4258  4.053932       6.158746  
1 1 1 7   21  21 o 145.898 3.2735  11547.37   517.279  10616.86   725.158  12511.38   738.099  139.759 4.7905  151.751 4.4907  -11.99178      6.566240  
1 1 1 7   21  22 o 70.898  2.6540  2726.26    203.798  2420.46    247.010  3378.24    360.672  66.682  3.4317  78.714  4.2462  -12.03291      5.459568  
1 1 1 7   21  23 f 148.298 3.3021  11949.20   530.395  11520.56   749.516  12379.16   750.669  145.356 4.7608  150.710 4.5987  -5.353500      6.619143  
1 1 1 7   21  24 o 150.932 3.3510  12395.36   547.802  12877.63   772.639  11907.88   776.796  153.505 4.6471  147.550 4.8607  5.955719       6.724727  
1 1 1 7   21  25 o 21.928  7.0896  261.050    191.978  148.225    255.964  406.128    290.254  20.414  7.9828  27.069  8.7138  -6.655622      11.81760  
1 1 1 7   21  26 o 83.769  2.7285  3819.21    247.558  3508.76    389.995  4028.72    320.380  79.821  4.5297  85.909  3.4432  -6.088394      5.689741  
1 1 1 7   21  27 o 87.652  3.2023  4195.92    304.012  4159.84    413.372  4238.42    448.671  86.841  4.4093  87.533  4.7503  -0.6911774     6.481280  
1 1 1 7   21  28 o 37.937  5.1235  813.585    205.134  950.606    265.991  612.484    322.241  40.679  6.2359  31.831  8.9649  8.847912       10.92040  
1 1 1 7   21  29 o 60.030  3.9457  1998.30    255.116  1996.20    319.477  2002.01    423.825  59.582  4.9967  58.782  6.7813  0.7998199      8.423369  
1 1 1 7   21  30 o 21.236  7.6955  236.106    227.974  262.155    286.954  191.530    375.380  22.793  8.5666  23.049  9.4391  -0.2561760     12.74686  
1 1 1 7   21  31 o ?       ?       -179.1828  44.040   117.574    283.108  -186.5419  44.582   19.492  8.1103  ?       ?       0.000000       8.110282  
1 1 1 7   21  32 o 12.544  3.5331  90.941     50.047   -329.2979  287.455  104.077    50.823   13.643  6.5700  13.375  3.4764  0.2677383      7.433028  
1 1 1 7   21  33 o 9.3755  2.6624  50.083     28.300   19.807     459.223  50.199     28.354   20.308  9.2935  9.3859  2.6648  10.92241       9.667971  
1 1 1 7   21  34 o 26.550  9.9708  573.880    388.583  559.236    471.682  604.813    685.519  25.937  10.597  26.228  11.738  -0.2906284     15.81333  
1 1 1 7   21  35 o 23.081  9.0462  404.163    329.265  487.254    378.041  143.048    670.157  24.435  9.6563  21.950  10.422  2.485312       14.20775  
1 1 1 7   22  0  o 644.687 15.086  225834.00  10534.23 224043.80  14897.66 227624.30  14897.66 641.034 21.457  646.170 21.286  -5.136353      30.22425  
1 1 1 7   22  1  o 74.288  3.5940  2989.23    289.177  3162.88    410.452  2818.08    407.479  76.245  4.9979  71.929  5.2669  4.315567       7.260858  
1 1 1 7   22  2  o 185.987 5.1722  18740.33   1041.90  17645.10   1473.75  19834.72   1473.19  180.430 7.5412  191.307 7.1098  -10.87663      10.36433  
1 1 1 7   22  3  o 416.734 9.9791  94190.56   4504.21  94695.95   6370.45  93685.34   6369.39  417.542 14.086  415.301 14.160  2.240479       19.97332  
1 1 1 7   22  4  o 729.990 17.026  289879.50  13461.72 291980.09  19038.25 287779.09  19037.24 731.010 24.045  725.685 24.221  5.325073       34.12952  
1 1 1 7   22  5  o 57.389  2.3012  1783.73    143.039  1994.77    309.906  1726.60    161.241  60.492  4.7686  56.461  2.6367  4.031021       5.449036  
1 1 1 7   22  6  o 648.141 15.161  228382.59  10643.17 229905.50  15052.92 226860.20  15050.52 649.051 21.413  644.705 21.554  4.345581       30.38195  
1 1 1 7   22  7  o 361.424 7.1560  70807.39   2801.29  72423.09   4850.26  69998.69   3431.47  365.195 12.262  359.267 8.8184  5.927887       15.10388  
1 1 1 7   22  8  o 583.829 11.362  185067.59  7184.91  187222.80  8800.64  180760.20  12441.90 586.852 13.846  575.451 19.962  11.40100       24.29388  
1 1 1 7   22  9  o 289.296 7.2661  45379.16   2276.75  43853.31   3221.19  46902.39   3218.43  284.204 10.464  293.944 10.109  -9.739075      14.54982  
1 1 1 7   22  10 o 366.578 8.8937  72935.15   3531.18  73942.99   4994.81  71928.09   4992.88  368.703 12.508  363.623 12.677  5.079895       17.80886  
1 1 1 7   22  11 o 90.284  3.9988  4416.69    391.033  4597.33    560.617  4245.53    545.694  91.914  5.6589  88.307  5.7365  3.606918       8.057940  
1 1 1 7   22  12 o 365.074 6.2699  72294.05   2479.20  71094.88   3506.56  73492.61   3505.67  361.731 8.9500  367.800 8.8001  -6.069275      12.55172  
1 1 1 7   22  13 o 110.801 2.7893  6651.21    334.738  7604.63    477.010  5726.17    469.854  118.459 3.7178  102.782 4.2206  15.67683       5.624553  
1 1 1 7   22  14 o 79.072  2.6732  3387.40    228.940  3759.26    323.656  3015.02    323.884  83.285  3.5879  74.471  4.0304  8.814384       5.396077  
1 1 1 7   22  15 o 245.123 4.4574  32582.66   1183.42  33018.00   1673.35  32147.06   1673.87  246.595 6.2651  243.312 6.3517  3.282928       8.921640  
1 1 1 7   22  16 f 119.761 3.4308  7774.33    445.018  7898.06    542.830  7520.72    777.139  120.686 4.1528  117.518 6.1267  3.167320       7.401525  
1 1 1 7   22  17 o 128.570 3.0931  8959.19    430.735  9022.88    604.456  8893.48    613.957  128.976 4.3270  128.043 4.4270  0.9329224      6.190409  
1 1 1 7   22  18 o 269.968 4.8566  39557.03   1420.09  38572.93   2007.82  40542.09   2008.81  266.279 6.9617  273.021 6.7932  -6.741699      9.726920  
1 1 1 7   22  19 o 54.856  3.4806  1638.37    205.728  1504.76    281.230  1792.18    301.737  52.402  5.0163  57.242  4.9145  -4.839645      7.022477  
1 1 1 7   22  20 o 129.535 3.1514  9098.57    442.139  8783.96    616.128  9432.59    634.850  127.193 4.4724  131.808 4.4469  -4.614464      6.306908  
1 1 1 7   22  21 o 171.629 3.5545  15985.53   660.744  15396.50   928.912  16588.79   940.055  168.252 5.0973  174.664 4.9691  -6.411713      7.118653  
1 1 1 7   22  22 o 113.480 2.9930  6988.06    367.875  6835.18    505.429  7160.29    536.463  112.127 4.1618  114.746 4.3165  -2.618744      5.996054  
1 1 1 7   22  23 o 94.338  2.7374  4830.93    279.696  4311.72    413.929  5267.18    379.421  88.972  4.2954  98.426  3.5591  -9.453773      5.578324  
1 1 1 7   22  24 o 108.808 3.0017  6436.57    353.752  6481.78    490.002  6387.35    511.234  108.995 4.1507  108.156 4.3641  0.8392181      6.022769  
1 1 1 7   22  25 o 28.241  6.1876  457.527    184.034  488.994    234.191  406.721    297.578  29.063  7.4154  27.149  8.8306  1.913933       11.53123  
1 1 1 7   22  26 o 94.934  3.1652  4914.29    325.460  4962.23    444.591  4858.93    477.733  95.118  4.3155  94.015  4.6916  1.103050       6.374502  
1 1 1 7   22  27 o 68.968  3.4390  2601.54    256.892  2515.02    343.454  2711.41    387.038  67.359  4.7378  69.806  5.1555  -2.447151      7.001872  
1 1 1 7   22  28 o 38.902  1.9406  822.796    81.766   742.020    263.217  831.423    86.021   35.543  7.0861  39.045  2.0412  -3.501884      7.374197  
1 1 1 7   22  29 o 27.308  2.0046  408.095    58.876   608.209    252.817  396.620    60.540   31.804  7.4670  26.906  2.0939  4.897593       7.755079  
1 1 1 7   22  30 o 32.033  6.9954  617.124    235.905  467.232    298.382  867.019    385.267  27.644  8.8283  36.815  9.5726  -9.170576      13.02199  
1 1 1 7   22  31 o 22.978  1.8252  289.767    45.052   288.742    45.407   354.512    360.923  22.934  1.8435  24.959  9.5542  -2.024296      9.730453  
1 1 1 7   22  32 o 24.928  1.7207  341.135    46.174   510.521    301.187  337.058    46.726   27.163  8.8864  24.772  1.7529  2.391230       9.057660  
1 1 1 7   22  33 o 30.158  7.9137  624.094    261.742  367.418    380.516  854.609    360.604  23.735  9.5834  33.879  9.4632  -10.14342      13.46821  
1 1 1 7   22  34 o 30.782  9.3337  740.479    338.232  671.401    392.673  939.081    665.816  28.331  10.120  29.549  12.378  -1.218714      15.98864  
1 1 1 7   22  35 o 29.918  9.4726  736.266    344.095  743.491    394.902  713.480    701.266  29.015  10.170  26.132  11.769  2.883171       15.55422  
1 1 1 7   23  0  o 366.848 6.2424  72922.09   2480.33  68731.99   3507.34  77113.97   3508.08  356.038 9.0952  377.148 8.5879  -21.11011      12.50898  
1 1 1 7   23  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   23  2  o 652.466 15.260  231344.70  10784.02 232755.09  15251.32 229934.50  15250.49 653.329 21.553  649.331 21.684  3.998047       30.57351  
1 1 1 7   23  3  o 565.348 13.229  173551.00  8100.81  182758.41  11457.25 164346.80  11455.30 579.455 18.255  549.336 19.253  30.11829       26.53178  
1 1 1 7   23  4  o 291.590 7.2826  46083.67   2300.01  43663.52   3252.62  48504.06   3252.78  283.699 10.585  299.037 10.043  -15.33847      14.59144  
1 1 1 7   23  5  o 243.854 4.4140  32213.41   1165.82  33807.14   2342.90  31688.94   1344.03  249.699 8.6630  241.847 5.1309  7.852722       10.06844  
1 1 1 7   23  6  o 415.934 8.2511  93799.34   3717.10  0.0000     0.0000   93799.34   3717.10  ?       ?       415.934 8.2511  0.000000       8.251069  
1 1 1 7   23  7  o 385.891 9.5773  80781.58   4002.94  0.0000     0.0000   80781.58   4002.94  ?       ?       385.891 9.5773  0.000000       9.577312  
1 1 1 7   23  8  o 750.688 24.958  309115.31  20292.47 309115.31  20292.47 0.0000     0.0000   750.688 24.958  ?       ?       0.000000       24.95772  
1 1 1 7   23  9  o 242.634 6.2593  31912.10   1644.93  33522.41   2328.82  30308.80   2323.74  248.572 8.6499  236.336 9.0780  12.23648       12.53916  
1 1 1 7   23  10 o 351.117 8.5787  66908.04   3262.44  63038.66   4614.16  70776.16   4613.42  340.401 12.515  360.778 11.806  -20.37680      17.20504  
1 1 1 7   23  11 o 502.081 8.3716  136852.30  4552.55  139330.00  6438.89  134375.59  6437.66  506.006 11.749  496.885 11.962  9.121582       16.76655  
1 1 1 7   23  12 o 294.935 5.2075  47162.28   1663.50  48492.42   2354.09  45835.64   2350.99  298.901 7.2715  290.579 7.4699  8.321442       10.42473  
1 1 1 7   23  13 o 421.491 7.1689  96463.95   3272.75  94841.43   4628.75  98085.95   4628.00  417.359 10.240  424.476 10.066  -7.117188      14.35898  
1 1 1 7   23  14 o 193.697 3.7508  20335.24   786.901  20301.30   1114.81  20368.94   1110.89  193.454 5.3205  193.778 5.2929  -0.3236389     7.504859  
1 1 1 7   23  15 o 94.921  2.7403  4881.92    281.729  5275.33    400.612  4497.00    396.274  98.650  3.7494  91.075  4.0172  7.574203       5.495067  
1 1 1 7   23  16 o 195.577 4.3813  20745.23   928.100  20284.54   1134.63  21676.72   1613.39  193.318 5.4189  199.640 7.4614  -6.322037      9.221561  
1 1 1 7   23  17 o 202.707 4.8506  22297.23   1064.97  20559.11   1704.59  23410.04   1363.93  194.298 8.0999  207.586 6.0663  -13.28883      10.11972  
1 1 1 7   23  18 o 53.282  3.3201  1545.04    190.649  1549.13    259.012  1540.20    281.646  53.240  4.5350  53.037  4.9605  0.2026253      6.721048  
1 1 1 7   23  19 o 95.333  2.9872  4926.73    308.445  4816.04    429.776  5044.30    442.937  94.209  4.2119  96.414  4.2416  -2.205360      5.977577  
1 1 1 7   23  20 o 85.257  2.7187  3940.25    251.053  3826.34    380.271  4028.26    334.249  83.959  4.1817  86.172  3.5812  -2.213486      5.505641  
1 1 1 7   23  21 o 201.645 3.9460  22078.31   861.817  21893.84   1217.82  22263.37   1219.77  200.530 5.6070  202.223 5.5690  -1.692520      7.902691  
1 1 1 7   23  22 o 159.169 3.5121  13759.64   605.473  13616.43   884.412  13885.96   830.651  158.074 5.1656  159.698 4.8023  -1.624069      7.053067  
1 1 1 7   23  23 o 130.599 3.1532  9266.60    446.028  8932.42    625.513  9612.29    636.181  128.007 4.5116  132.806 4.4228  -4.799179      6.317882  
1 1 1 7   23  24 f 109.928 2.9913  6570.29    356.157  6112.90    493.401  7067.90    514.633  105.807 4.3054  113.800 4.1753  -7.992920      5.997441  
1 1 1 7   23  25 o 87.379  2.7753  4152.62    262.655  3810.54    397.554  4417.59    349.894  83.315  4.4214  89.994  3.5897  -6.679008      5.695144  
1 1 1 7   23  26 o 108.220 2.9388  6380.95    344.469  5640.00    481.562  7157.34    492.943  101.369 4.3861  114.328 3.9808  -12.95889      5.923235  
1 1 1 7   23  27 o 68.490  2.5244  2554.19    187.268  2097.05    347.368  2741.48    222.346  61.292  5.2842  70.897  2.8956  -9.604988      6.025579  
1 1 1 7   23  28 o 24.989  7.1338  366.342    202.628  751.201    269.975  -130.1243  306.633  35.698  7.2304  17.089  7.7312  18.60910       10.58536  
1 1 1 7   23  29 o 18.452  7.0358  148.724    195.252  169.301    232.042  98.821     361.357  19.822  7.6424  21.527  9.0734  -1.704861      11.86311  
1 1 1 7   23  30 o 25.599  2.1048  359.712    57.841   353.959    58.544   595.104    374.479  25.385  2.1495  30.668  9.9003  -5.283314      10.13099  
1 1 1 7   23  31 o 64.751  2.6718  2306.56    187.377  2097.95    362.649  2382.53    218.855  59.940  5.6528  65.641  3.0783  -5.700924      6.436587  
1 1 1 7   23  32 o 60.232  4.1735  2078.55    270.594  2149.39    359.344  1985.78    411.240  59.980  5.5960  56.340  6.8823  3.640430       8.870261  
1 1 1 7   23  33 o 22.755  8.8979  331.981    318.002  270.569    361.906  540.028    666.116  22.049  9.1716  26.837  11.814  -4.788355      14.95601  
1 1 1 7   23  34 o 22.996  8.7153  377.944    298.453  409.214    369.024  318.811    507.456  23.622  9.4727  22.973  10.202  0.6494274      13.92145  
1 1 1 7   23  35 o 15.538  7.2807  -110.6562  307.973  83.188     344.587  -880.1658  686.562  18.350  8.2584  17.391  8.7002  0.9588547      11.99563  
1 1 1 7   24  0  o 690.770 22.906  260410.70  17137.38 260410.70  17137.38 0.0000     0.0000   690.770 22.906  ?       ?       0.000000       22.90556  
1 1 1 7   24  1  o 567.490 13.344  174865.91  8202.16  173548.70  11599.85 176183.09  11599.38 564.588 18.969  568.880 18.825  -4.291809      26.72503  
1 1 1 7   24  2  o 119.624 4.0656  7751.49    526.766  7998.42    746.396  7506.44    743.533  121.500 5.6718  117.702 5.8324  3.797653       8.135478  
1 1 1 7   24  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   24  4  o 567.137 15.211  174831.59  9343.55  152793.30  17219.01 184028.91  11123.65 526.475 30.325  581.490 17.662  -55.01550      35.09340  
1 1 1 7   24  5  o 328.407 5.5331  58436.61   1968.10  65285.40   3946.10  56168.91   2270.67  346.888 10.503  321.940 6.5119  24.94846       12.35781  
1 1 1 7   24  6  o 411.942 7.9474  92002.04   3545.95  0.0000     0.0000   92002.04   3545.95  ?       ?       411.942 7.9474  0.000000       7.947421  
1 1 1 7   24  7  o 612.084 20.392  204509.41  13519.19 204509.41  13519.19 0.0000     0.0000   612.084 20.392  ?       ?       0.000000       20.39246  
1 1 1 7   24  8  o 649.887 21.647  231038.50  15237.18 231038.50  15237.18 0.0000     0.0000   649.887 21.647  ?       ?       0.000000       21.64693  
1 1 1 7   24  9  o 249.917 6.4402  33860.37   1743.28  33919.15   2467.40  33801.79   2463.35  250.001 9.1123  249.568 9.1131  0.4329224      12.88731  
1 1 1 7   24  10 o 375.862 6.8431  76615.60   2785.80  77137.58   3655.85  75892.81   4301.98  376.949 8.9544  373.708 10.628  3.240204       13.89756  
1 1 1 7   24  11 o 105.030 2.7475  5975.66    312.555  6475.22    454.304  5526.70    430.681  109.318 3.8370  100.993 3.9373  8.324966       5.497663  
1 1 1 7   24  12 o 403.661 6.8498  88425.66   2994.77  87839.19   4236.01  89011.72   4234.48  401.894 9.7314  404.580 9.6633  -2.685272      13.71421  
1 1 1 7   24  13 o 288.135 5.4447  45031.17   1699.18  46397.50   2241.03  43183.43   2606.09  292.316 7.0782  281.840 8.5372  10.47586       11.08990  
1 1 1 7   24  14 o 149.440 3.2341  12101.77   523.471  12343.85   741.938  11861.82   738.674  150.882 4.5401  147.903 4.6111  2.978226       6.471045  
1 1 1 7   24  15 o 140.294 3.1105  10666.21   472.647  11163.14   672.288  10180.55   664.625  143.480 4.3261  137.013 4.4786  6.466431       6.226801  
1 1 1 7   24  16 o 69.803  3.2503  2640.84    245.737  2662.00    294.585  2592.44    445.584  69.960  3.9032  68.829  6.0381  1.131500       7.189817  
1 1 1 7   24  17 o 105.533 3.3019  6037.05    377.412  5841.13    658.631  6132.83    460.518  103.533 5.8979  106.343 3.9982  -2.810570      7.125356  
1 1 1 7   24  18 o 125.857 3.1038  8586.27    423.105  8334.27    587.808  8857.21    609.502  123.939 4.3788  127.767 4.4044  -3.827789      6.210687  
1 1 1 7   24  19 o 130.343 3.1562  9211.18    445.579  9359.21    636.949  9069.31    623.553  131.311 4.4785  129.263 4.4538  2.048004       6.316131  
1 1 1 7   24  20 o 195.574 3.8495  20756.08   815.424  20136.87   1149.61  21383.06   1156.79  192.429 5.5158  198.313 5.3856  -5.884216      7.709018  
1 1 1 7   24  21 f 172.518 3.5835  16154.53   669.600  16151.66   943.192  16157.45   950.768  172.311 5.0538  172.335 5.0937  -0.2471924E-01 7.175388  
1 1 1 7   24  22 o 111.916 3.0077  6797.99    364.579  6164.96    504.525  7489.78    527.422  106.447 4.3760  117.356 4.1494  -10.90887      6.030484  
1 1 1 7   24  23 o 171.696 3.6927  16038.22   686.719  15301.09   924.231  16946.74   1026.07  167.357 5.0988  176.040 5.3814  -8.682755      7.413291  
1 1 1 7   24  24 o 85.247  2.7302  3948.86    252.085  4072.44    390.521  3860.58    330.062  86.374  4.1744  84.180  3.6201  2.194168       5.525399  
1 1 1 7   24  25 o 99.442  2.8947  5380.74    311.780  5377.31    452.554  5383.83    430.147  99.148  4.2142  99.257  4.0012  -0.1088562     5.811079  
1 1 1 7   24  26 o 78.192  2.7437  3328.94    232.361  3387.33    282.456  3206.70    408.685  78.778  3.3104  76.119  4.9846  2.658745       5.983675  
1 1 1 7   24  27 o 54.666  3.8132  1646.35    224.364  1607.33    293.455  1701.25    348.094  53.651  5.1119  54.925  5.9463  -1.274307      7.841526  
1 1 1 7   24  28 o 85.118  3.2079  3967.55    295.745  3712.24    398.578  4280.31    441.148  81.773  4.5177  87.757  4.6579  -5.984055      6.488911  
1 1 1 7   24  29 o ?       ?       -202.2312  28.550   -206.7051  28.642   489.317    356.108  ?       ?       28.625  9.6710  0.000000       9.670965  
1 1 1 7   24  30 o 16.495  6.9359  47.896     210.328  -119.4611  257.992  379.569    363.194  15.404  7.0171  26.078  9.6697  -10.67345      11.94748  
1 1 1 7   24  31 o 38.865  5.8861  897.463    240.017  788.924    300.400  1089.07    399.133  35.085  8.0728  40.424  9.3083  -5.338947      12.32134  
1 1 1 7   24  32 o 43.085  5.6182  1115.97    255.937  1279.44    344.717  915.167    382.055  44.675  7.3819  35.551  9.6671  9.123905       12.16326  
1 1 1 7   24  33 o 17.690  8.1051  -48.2329   350.745  35.231     414.379  -259.1227  658.684  19.717  8.9474  20.830  10.010  -1.112780      13.42561  
1 1 1 7   24  34 o 22.539  9.2550  346.142    362.098  491.720    436.233  23.633     649.295  24.884  10.181  21.590  10.253  3.294622       14.44941  
1 1 1 7   24  35 o 17.969  8.2071  34.493     355.887  135.008    425.075  -201.1156  650.798  19.933  9.0518  19.844  9.6354  0.8905983E-01  13.22030  
1 1 1 7   25  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   25  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   25  2  o 99.423  5.4303  5371.55    582.554  0.0000     0.0000   5371.55    582.554  ?       ?       99.423  5.4303  0.000000       5.430347  
1 1 1 7   25  3  o 303.509 7.5417  49931.27   2479.19  46181.18   3506.23  53680.80   3505.97  291.737 11.096  314.577 10.290  -22.84030      15.13307  
1 1 1 7   25  4  o 319.278 5.5847  55232.99   1931.27  52851.79   3870.13  56022.58   2228.58  312.066 11.450  321.526 6.3994  -9.460144      13.11704  
1 1 1 7   25  5  o 333.712 6.6054  60354.29   2387.49  0.0000     0.0000   60354.29   2387.49  ?       ?       333.712 6.6054  0.000000       6.605391  
1 1 1 7   25  6  o 833.279 27.659  381267.91  24962.88 0.0000     0.0000   381267.91  24962.88 ?       ?       833.279 27.659  0.000000       27.65883  
1 1 1 7   25  7  o 159.416 6.7470  13775.11   1164.96  13775.11   1164.96  0.0000     0.0000   159.416 6.7470  ?       ?       0.000000       6.746963  
1 1 1 7   25  8  o 167.784 4.8720  15253.68   885.383  16024.01   1255.75  14492.18   1248.52  171.926 6.7436  163.494 7.0506  8.431961       9.756349  
1 1 1 7   25  9  o 391.718 8.5668  83262.06   3634.65  81961.36   5680.01  84163.98   4729.82  388.076 13.513  393.571 11.096  -5.494446      17.48490  
1 1 1 7   25  10 o 188.937 3.7244  19340.50   762.151  18704.11   1079.14  19973.84   1076.55  185.759 5.3636  191.966 5.1777  -6.207581      7.455029  
1 1 1 7   25  11 o 320.257 5.5805  55610.27   1935.72  55544.21   2738.49  55676.24   2736.55  319.875 7.9043  320.257 7.8892  -0.3814087     11.16768  
1 1 1 7   25  12 o 115.028 2.9156  7168.38    363.249  7588.80    518.647  6763.58    508.914  118.332 4.0467  111.710 4.2061  6.622314       5.836717  
1 1 1 7   25  13 o 409.786 7.4447  91213.03   3304.24  93767.68   4331.70  87657.95   5109.95  415.065 9.6354  400.821 11.771  14.24411       15.21142  
1 1 1 7   25  14 o 179.801 3.6888  17522.19   718.372  18829.96   970.347  15936.14   1068.61  186.335 4.8080  171.367 5.7573  14.96797       7.500884  
1 1 1 7   25  15 o 98.944  2.8246  5304.73    302.706  5207.71    433.669  5396.91    422.724  98.005  4.0855  99.774  3.9117  -1.769257      5.656199  
1 1 1 7   25  16 o 188.301 4.5814  19233.83   934.371  19587.95   1063.06  18031.11   1959.15  189.984 5.1662  181.484 10.006  8.500153       11.26058  
1 1 1 7   25  17 f 293.593 6.5643  46856.18   2087.38  44124.47   3282.92  48710.02   2704.46  284.030 10.671  298.997 8.3511  -14.96667      13.55070  
1 1 1 7   25  18 o 171.072 3.6817  15870.15   682.180  15314.12   920.260  16548.40   1016.38  167.949 5.0590  174.557 5.3759  -6.608551      7.381959  
1 1 1 7   25  19 o 84.868  2.6977  3903.90    247.980  3933.36    323.510  3861.92    386.135  85.163  3.5072  84.252  4.2451  0.9111557      5.506498  
1 1 1 7   25  20 o 231.386 4.3338  29071.46   1086.12  29305.63   1535.90  28837.23   1536.11  232.011 6.1120  230.140 6.1626  1.871719       8.679491  
1 1 1 7   25  21 o 120.996 3.0969  7942.25    405.858  7883.68    566.957  8003.81    581.250  120.447 4.3459  121.354 4.4222  -0.9068604     6.200248  
1 1 1 7   25  22 o 135.720 3.2415  10001.96   476.492  9916.26    652.521  10099.86   697.443  134.977 4.4634  136.179 4.7285  -1.201996      6.502381  
1 1 1 7   25  23 o 106.532 2.9221  6164.46    337.161  6027.62    483.314  6294.19    470.576  105.169 4.2430  107.501 4.0416  -2.331657      5.859798  
1 1 1 7   25  24 o 125.795 3.1167  8608.70    424.643  8635.97    593.096  8580.02    608.263  125.724 4.3555  125.283 4.4826  0.4406204      6.250127  
1 1 1 7   25  25 o 121.965 3.1530  8102.12    416.508  7404.22    586.974  8809.89    591.111  116.201 4.6638  126.869 4.3017  -10.66872      6.344741  
1 1 1 7   25  26 o 61.078  2.4849  2029.37    164.387  2086.68    184.949  1813.76    358.733  61.902  2.7585  56.868  5.9105  5.033688       6.522541  
1 1 1 7   25  27 o 24.969  6.8303  362.976    190.060  324.960    244.668  420.823    301.809  24.209  8.0137  27.200  8.8955  -2.991096      11.97282  
1 1 1 7   25  28 o 48.856  1.7379  1296.98    91.963   1504.01    128.805  1081.72    131.342  52.550  2.2630  44.425  2.7430  8.125191       3.556054  
1 1 1 7   25  29 o 86.078  3.3791  4074.76    315.039  3859.34    416.985  4361.25    480.880  83.089  4.6522  88.092  5.0613  -5.003212      6.874542  
1 1 1 7   25  30 o 34.421  2.3354  650.302    86.554   852.285    285.904  629.923    90.815   37.552  7.2922  33.843  2.4952  3.709282       7.707302  
1 1 1 7   25  31 f 45.473  2.3040  1136.68    113.105  1211.69    306.469  1124.85    121.696  44.790  6.5079  45.177  2.4967  -0.3878746     6.970371  
1 1 1 7   25  32 o 37.927  6.0035  879.566    238.403  614.388    299.341  1339.50    394.227  29.728  8.7257  44.679  8.4562  -14.95141      12.15092  
1 1 1 7   25  33 o 21.791  8.6837  287.543    308.093  347.060    352.440  94.681     634.437  23.162  9.2683  22.814  10.610  0.3479443      14.08809  
1 1 1 7   25  34 o 29.008  9.2760  662.643    329.331  632.351    379.352  755.323    663.543  27.593  9.9375  27.423  11.937  0.1700287      15.53242  
1 1 1 7   25  35 o 22.632  8.8838  379.115    317.965  367.378    365.381  415.737    645.416  22.486  9.2725  23.764  10.927  -1.277681      14.33116  
1 1 1 7   26  0  o 68.026  2.0596  2506.18    151.748  2514.27    193.232  2493.16    245.111  68.134  2.6185  67.845  3.3356  0.2887955      4.240590  
1 1 1 7   26  1  o 154.918 3.2329  12999.18   542.453  12651.99   800.318  13294.23   737.782  152.820 4.8352  156.656 4.3482  -3.836105      6.502743  
1 1 1 7   26  2  o 473.392 11.180  121599.10  5732.33  127316.60  8108.12  115885.50  8105.37  483.961 15.468  461.639 16.211  22.32166       22.40646  
1 1 1 7   26  3  o 176.441 5.6136  16867.85   1072.78  17528.98   1746.79  16467.48   1359.33  179.795 8.9700  174.306 7.2002  5.488907       11.50232  
1 1 1 7   26  4  o 497.748 11.615  134472.00  6261.57  0.0000     0.0000   134472.00  6261.57  ?       ?       497.748 11.615  0.000000       11.61458  
1 1 1 7   26  5  o 648.053 21.545  229288.30  15122.66 0.0000     0.0000   229288.30  15122.66 ?       ?       648.053 21.545  0.000000       21.54505  
1 1 1 7   26  6  o 159.487 6.7600  13786.77   1167.74  13786.77   1167.74  0.0000     0.0000   159.487 6.7600  ?       ?       0.000000       6.760045  
1 1 1 7   26  7  o 148.139 6.4972  11894.83   1042.47  11894.83   1042.47  0.0000     0.0000   148.139 6.4972  ?       ?       0.000000       6.497164  
1 1 1 7   26  8  o 428.119 7.2983  99385.20   3384.22  99042.85   6773.47  99499.09   3906.79  426.558 14.661  428.274 8.4223  -1.715759      16.90795  
1 1 1 7   26  9  o 629.013 10.456  214932.41  7123.82  207222.91  14251.10 217500.59  8225.21  614.610 21.408  632.449 12.007  -17.83905      24.54560  
1 1 1 7   26  10 o 401.557 7.8591  87503.99   3418.12  87483.42   5923.98  87514.27   4185.06  400.679 13.650  401.374 9.6268  -0.6943665     16.70357  
1 1 1 7   26  11 o 242.254 4.4685  31807.45   1172.47  32428.52   1659.29  31188.12   1656.96  244.513 6.2654  239.784 6.3800  4.728928       8.942035  
1 1 1 7   26  12 o 233.295 4.5441  29504.05   1148.20  30403.98   1525.76  28328.87   1743.55  236.742 5.9503  228.442 7.0467  8.299881       9.222953  
1 1 1 7   26  13 o 427.931 7.2080  99457.51   3340.87  103296.50  4725.60  95621.47   4723.81  435.529 10.018  418.944 10.410  16.58499       14.44751  
1 1 1 7   26  14 o 235.941 4.6278  30188.04   1182.63  30422.60   1569.73  29880.13   1798.50  236.735 6.1220  234.521 7.0804  2.214050       9.360073  
1 1 1 7   26  15 o 310.601 5.4154  52355.14   1821.82  53172.19   2577.30  51539.19   2575.57  312.696 7.6098  307.837 7.7247  4.858490       10.84344  
1 1 1 7   26  16 o 123.410 3.5618  8256.25    476.096  8264.70    576.788  8238.19    843.378  123.444 4.3140  122.976 6.3536  0.4677124      7.679705  
1 1 1 7   26  17 o 272.820 5.6563  40422.48   1671.40  39422.70   2891.88  40923.96   2048.12  268.633 9.9392  274.319 6.8933  -5.685760      12.09568  
1 1 1 7   26  18 o 153.023 3.4112  12695.98   565.367  12694.20   768.285  12698.07   834.971  152.937 4.6381  152.930 5.0409  0.6698608E-02  6.850019  
1 1 1 7   26  19 o 79.011  2.5758  3383.44    220.427  3480.20    343.865  3315.94    287.195  80.090  3.9640  78.197  3.3909  1.893562       5.216501  
1 1 1 7   26  20 o 64.108  3.1444  2228.91    218.335  2288.76    301.272  2162.70    316.862  64.779  4.3186  62.922  4.6830  1.857655       6.370307  
1 1 1 7   26  21 o 174.062 3.5903  16447.99   676.877  15688.09   954.294  17217.37   960.232  169.768 5.1899  177.885 4.9839  -8.117355      7.195379  
1 1 1 7   26  22 o 180.360 3.7256  17680.90   727.783  17665.03   977.132  17700.68   1090.69  180.014 5.0116  180.050 5.5929  -0.3642273E-01 7.509774  
1 1 1 7   26  23 o 36.184  4.7108  726.521    180.247  795.180    246.329  647.387    264.452  37.566  6.2755  33.600  7.4610  3.965885       9.749269  
1 1 1 7   26  24 o 58.737  3.6240  1887.12    229.425  1921.18    304.027  1842.08    349.646  59.048  4.7951  57.613  5.6770  1.435425       7.431130  
1 1 1 7   26  25 o 70.491  3.4417  2709.78    262.770  2577.13    361.850  2857.78    382.212  68.328  4.9224  71.966  4.9333  -3.638710      6.969043  
1 1 1 7   26  26 o 15.878  2.8366  141.441    46.993   524.199    251.032  127.540    47.839   29.904  7.7032  15.028  3.0434  14.87602       8.282618  
1 1 1 7   26  27 o 32.211  6.3219  600.443    212.685  704.099    292.048  483.389    310.350  34.445  7.9839  28.758  8.9808  5.686884       12.01658  
1 1 1 7   26  28 o 48.121  1.8364  1258.80    95.713   1298.84    100.112  832.979    326.459  48.875  1.8912  37.161  8.3183  11.71381       8.530560  
1 1 1 7   26  29 o 17.955  7.0040  128.162    196.671  228.417    254.337  -20.9403   310.169  21.603  8.0757  18.462  8.0956  3.141571       11.43483  
1 1 1 7   26  30 o 48.938  4.6487  1355.05    243.443  1040.48    304.259  1914.74    405.847  41.716  6.9806  57.035  6.6973  -15.31859      9.673788  
1 1 1 7   26  31 o 21.469  7.8174  264.108    235.666  190.412    300.848  381.147    379.131  20.880  8.4890  25.266  9.7611  -4.385927      12.93610  
1 1 1 7   26  32 f 28.091  2.7537  441.367    82.706   729.938    296.660  417.047    86.121   32.730  8.3435  27.229  2.9682  5.500322       8.855696  
1 1 1 7   26  33 o 30.992  9.1165  710.689    326.446  546.081    373.131  1247.80    674.009  26.785  9.8238  34.770  13.116  -7.985163      16.38751  
1 1 1 7   26  34 o 29.998  1.7005  495.048    55.024   200.723    359.024  502.128    55.681   20.307  8.8101  30.210  1.7087  -9.903202      8.974319  
1 1 1 7   27  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   27  1  f 655.101 18.008  233593.50  12777.53 222482.09  23659.13 238169.00  15182.03 634.142 34.577  660.837 21.211  -26.69537      40.56440  
1 1 1 7   27  2  o 223.223 5.7812  26999.15   1397.76  28975.17   1982.09  25044.38   1971.40  231.194 7.9155  214.925 8.4687  16.26877       11.59199  
1 1 1 7   27  3  o 444.859 15.024  107569.00  7239.16  0.0000     0.0000   107569.00  7239.16  ?       ?       444.859 15.024  0.000000       15.02436  
1 1 1 7   27  4  o 175.174 7.1012  16632.30   1347.31  0.0000     0.0000   16632.30   1347.31  ?       ?       175.174 7.1012  0.000000       7.101153  
1 1 1 7   27  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   27  6  o 556.937 18.613  169108.70  11227.77 169108.70  11227.77 0.0000     0.0000   556.937 18.613  ?       ?       0.000000       18.61303  
1 1 1 7   27  7  o 547.975 8.9675  162899.41  5322.35  173230.20  10650.81 159461.09  6144.55  563.716 17.444  541.990 10.467  21.72662       20.34361  
1 1 1 7   27  8  o 211.367 4.0379  24204.35   924.415  23078.37   1857.60  24574.97   1065.75  206.254 8.3153  212.965 4.6204  -6.711441      9.512759  
1 1 1 7   27  9  o 76.662  2.7314  3183.42    226.795  2701.35    479.005  3322.71    257.485  70.298  6.3600  78.319  3.0354  -8.020966      7.047185  
1 1 1 7   27  10 o 330.600 5.7046  59256.98   2042.65  58104.95   4090.15  59639.77   2357.72  326.795 11.556  331.605 6.5645  -4.810181      13.29006  
1 1 1 7   27  11 o 251.345 5.2186  34251.27   1420.69  36921.61   2465.99  32924.67   1738.12  260.691 8.7336  246.351 6.5141  14.34004       10.89540  
1 1 1 7   27  12 o 277.648 5.7695  41816.90   1735.02  39833.27   3009.33  42804.58   2123.47  270.496 10.272  280.800 6.9820  -10.30362      12.41991  
1 1 1 7   27  13 o 380.530 6.5434  78609.07   2696.89  79702.81   3814.88  77516.37   3813.08  382.713 9.2032  377.403 9.3283  5.310577       13.10399  
1 1 1 7   27  14 o 248.851 4.5147  33581.17   1216.85  34533.17   1722.87  32633.54   1718.92  252.194 6.3074  245.143 6.4739  7.051514       9.038477  
1 1 1 7   27  15 o 400.840 6.7985  87307.63   2951.59  91671.23   4174.50  82945.38   4173.87  410.103 9.3981  389.965 9.8820  20.13870       13.63736  
1 1 1 7   27  16 o 189.742 4.3212  19526.45   888.057  19315.12   1085.85  19953.32   1543.25  188.639 5.3146  191.521 7.4396  -2.881607      9.142903  
1 1 1 7   27  17 f 265.680 5.5304  38330.76   1591.42  37284.03   2755.38  38854.72   1949.44  261.279 9.7366  267.314 6.7332  -6.035034      11.83793  
1 1 1 7   27  18 o 164.238 3.4516  14625.79   613.996  14362.08   868.722  14889.01   867.922  162.646 4.9314  165.611 4.8386  -2.964539      6.908738  
1 1 1 7   27  19 o 40.993  1.7819  910.372    79.114   504.009    234.248  962.692    84.053   29.823  7.3088  42.154  1.8410  -12.33029      7.537124  
1 1 1 7   27  20 o 107.071 2.9918  6216.77    346.951  6089.32    487.860  6347.20    493.514  105.896 4.2535  108.117 4.2144  -2.221710      5.987771  
1 1 1 7   27  21 o 150.930 3.3743  12364.32   551.609  12434.06   754.779  12284.38   808.137  151.209 4.6086  150.245 4.9661  0.9634399      6.775071  
1 1 1 7   27  22 o 100.611 2.9702  5495.20    323.674  5554.51    455.971  5434.95    459.538  101.035 4.1667  99.933  4.2456  1.102333       5.948711  
1 1 1 7   27  23 o 81.778  2.6993  3631.60    239.084  3580.02    308.344  3709.37    378.599  81.118  3.5095  82.373  4.2581  -1.255058      5.517949  
1 1 1 7   27  24 o 92.557  3.1177  4661.60    312.545  4224.06    428.059  5161.20    457.410  87.764  4.5185  97.173  4.3460  -9.408783      6.269336  
1 1 1 7   27  25 o 97.824  3.1181  5212.96    330.371  4891.54    454.669  5572.46    480.860  94.476  4.4433  100.849 4.4023  -6.372482      6.254811  
1 1 1 7   27  26 o 99.487  3.1315  5399.62    337.439  4810.78    464.378  6058.38    491.171  93.516  4.5848  105.036 4.3174  -11.52020      6.297624  
1 1 1 7   27  27 o 29.145  1.1421  460.565    36.052   56.822     248.304  469.259    36.438   18.159  7.5789  29.419  1.1436  -11.25981      7.664654  
1 1 1 7   27  28 o 43.454  4.7039  1059.58    217.855  1040.38    288.211  1085.18    332.755  42.413  6.4797  42.932  7.4248  -0.5191078     9.854621  
1 1 1 7   27  29 o 42.472  5.1083  1024.83    230.279  1165.79    314.617  862.184    337.960  44.626  6.7174  37.433  8.5262  7.192799       10.85445  
1 1 1 7   27  30 o 29.063  7.0281  514.151    218.805  505.639    272.121  529.721    368.027  28.465  8.3094  29.027  9.8314  -0.5624905     12.87249  
1 1 1 7   27  31 o 26.320  1.4952  378.485    42.450   317.259    270.560  380.030    42.982   23.009  8.3765  26.372  1.5111  -3.362482      8.511689  
1 1 1 7   27  32 o 18.504  7.6918  132.538    254.306  144.759    333.650  115.597    392.842  20.145  8.6131  20.700  9.0931  -0.5551968     12.52479  
1 1 1 7   27  33 o 31.434  9.8346  769.743    371.970  837.062    445.893  615.680    674.544  31.572  10.821  27.239  11.942  4.332607       16.11514  
1 1 1 7   27  34 o 32.015  9.8610  842.879    375.622  849.209    455.348  829.398    664.512  30.457  10.896  27.992  12.065  2.465069       16.25697  
1 1 1 7   28  0  o 305.852 5.2686  50682.12   1745.33  49170.05   2468.88  52192.70   2467.66  301.185 7.5683  310.312 7.3420  -9.127625      10.54440  
1 1 1 7   28  1  o 425.970 8.7666  98385.68   4044.64  100486.20  7010.72  97337.75   4951.82  429.979 15.054  423.561 10.794  6.417603       18.52363  
1 1 1 7   28  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   28  3  o 588.794 19.620  188962.20  12512.21 0.0000     0.0000   188962.20  12512.21 ?       ?       588.794 19.620  0.000000       19.62006  
1 1 1 7   28  4  o 350.671 12.109  66766.80   4599.05  0.0000     0.0000   66766.80   4599.05  ?       ?       350.671 12.109  0.000000       12.10870  
1 1 1 7   28  5  o 549.931 18.384  164810.50  10949.97 164810.50  10949.97 0.0000     0.0000   549.931 18.384  ?       ?       0.000000       18.38378  
1 1 1 7   28  6  o 391.421 13.375  83272.37   5670.16  83272.37   5670.16  0.0000     0.0000   391.421 13.375  ?       ?       0.000000       13.37460  
1 1 1 7   28  7  o 251.701 4.6239  34325.95   1260.57  34436.07   2531.30  34289.63   1453.64  251.917 9.2772  251.547 5.3354  0.3698578      10.70200  
1 1 1 7   28  8  o 239.296 4.5109  31027.75   1169.14  27771.44   2346.14  32103.53   1348.50  226.175 9.5772  243.390 5.1154  -17.21574      10.85773  
1 1 1 7   28  9  o 422.518 7.2341  96836.59   3310.56  91699.13   6625.54  98546.03   3821.86  410.071 14.917  426.123 8.2807  -16.05197      17.06161  
1 1 1 7   28  10 o 424.993 7.2118  98001.95   3319.70  97812.47   6643.47  98065.00   3832.47  423.355 14.488  424.995 8.3258  -1.639343      16.71024  
1 1 1 7   28  11 o 123.023 2.9464  8199.31    392.599  7603.00    784.414  8398.60    453.486  118.230 6.1468  124.502 3.3629  -6.271652      7.006581  
1 1 1 7   28  12 f 278.447 5.7255  42058.84   1726.74  44924.22   2995.01  40632.18   2113.33  287.333 9.6237  273.556 7.1327  13.77716       11.97877  
1 1 1 7   28  13 o 312.732 6.3098  53087.26   2137.28  53105.92   3706.41  53077.96   2616.03  312.059 10.966  312.524 7.7284  -0.4650574     13.41566  
1 1 1 7   28  14 o 263.288 4.7737  37598.03   1361.30  37987.06   1925.67  37209.39   1924.68  264.449 6.7231  261.720 6.7897  2.728729       9.555098  
1 1 1 7   28  15 o 67.026  2.3778  2433.93    172.620  2617.97    299.303  2342.20    211.303  69.372  4.0004  65.743  2.9675  3.628952       4.980870  
1 1 1 7   28  16 o 107.072 3.3426  6214.34    387.648  6105.73    471.128  6442.00    682.094  106.108 4.0994  108.761 5.8113  -2.653061      7.111728  
1 1 1 7   28  17 o 263.852 5.5131  37805.93   1575.53  38092.93   2728.36  37662.36   1929.81  264.127 9.5371  263.166 6.7704  0.9609070      11.69595  
1 1 1 7   28  18 o 107.381 2.8828  6249.90    335.277  6403.45    463.165  6080.85    485.963  108.651 3.9358  105.865 4.2382  2.786041       5.783857  
1 1 1 7   28  19 f 223.141 4.2040  27023.62   1016.03  26169.58   1434.95  27882.28   1438.83  219.334 6.0403  226.426 5.8670  -7.092178      8.420630  
1 1 1 7   28  20 o 155.252 3.3640  13076.02   565.669  13416.95   800.713  12736.33   799.244  157.132 4.7048  153.081 4.8204  4.050430       6.735877  
1 1 1 7   28  21 o 113.108 3.0373  6941.43    372.093  7204.66    528.497  6682.69    523.971  115.129 4.2383  110.868 4.3635  4.261177       6.082994  
1 1 1 7   28  22 o 25.013  6.1862  355.947    166.658  388.437    243.707  327.406    228.417  26.396  7.9047  24.511  7.7129  1.885538       11.04413  
1 1 1 7   28  23 o 90.661  2.7523  4464.44    270.260  4539.59    361.800  4369.57    406.504  91.318  3.6580  89.518  4.1926  1.799438       5.564067  
1 1 1 7   28  24 o 106.406 3.0875  6161.06    355.830  5916.79    494.224  6423.97    512.724  104.021 4.3866  108.393 4.3673  -4.371284      6.189987  
1 1 1 7   28  25 o 51.428  3.9597  1454.55    218.869  1199.55    290.887  1787.30    332.284  46.205  5.9508  56.674  5.4817  -10.46885      8.090828  
1 1 1 7   28  26 o 63.490  3.6984  2212.96    253.222  2197.56    350.093  2229.86    366.704  62.859  5.1885  63.253  5.4045  -0.3934975     7.491937  
1 1 1 7   28  27 o 88.471  3.2014  4279.66    306.768  4222.72    419.599  4345.04    449.628  87.386  4.4479  88.538  4.7056  -1.151482      6.475102  
1 1 1 7   28  28 o 70.432  3.5941  2733.39    273.264  2644.69    377.430  2831.11    396.158  68.678  5.1105  71.034  5.1849  -2.355560      7.280182  
1 1 1 7   28  29 o 39.921  5.1078  907.201    215.793  725.122    284.576  1153.56    331.016  34.567  7.7877  44.153  7.1675  -9.586014      10.58401  
1 1 1 7   28  30 o 34.865  6.1955  719.824    225.384  728.401    281.772  704.589    375.544  34.314  7.7630  32.817  9.8092  1.496513       12.50938  
1 1 1 7   28  31 f 43.403  5.5431  1115.25    254.628  1160.33    331.416  1050.30    397.804  42.949  7.3909  39.047  9.4974  3.902786       12.03436  
1 1 1 7   28  32 o 46.279  5.9503  1303.95    291.349  1353.61    400.847  1248.32    424.204  44.666  8.5978  41.783  9.5782  2.882595       12.87101  
1 1 1 7   28  33 o 25.225  9.0542  464.124    314.656  599.028    360.405  31.646     645.298  27.786  9.7169  22.232  10.456  5.553745       14.27385  
1 1 1 7   28  34 o 24.910  11.395  501.000    689.583  0.0000     0.0000   501.000    689.583  ?       ?       24.910  11.395  0.000000       11.39511  
1 1 1 7   29  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   29  1  o 412.881 8.0352  92416.76   3593.31  96017.93   6220.05  90612.93   4402.21  420.428 13.659  408.717 9.9444  11.71112       16.89587  
1 1 1 7   29  2  o 672.883 22.348  247256.80  16287.12 0.0000     0.0000   247256.80  16287.12 ?       ?       672.883 22.348  0.000000       22.34778  
1 1 1 7   29  3  o 400.017 13.631  86935.59   5905.89  0.0000     0.0000   86935.59   5905.89  ?       ?       400.017 13.631  0.000000       13.63127  
1 1 1 7   29  4  o 386.310 20.120  81629.39   8389.50  81629.39   8389.50  0.0000     0.0000   386.310 20.120  ?       ?       0.000000       20.12032  
1 1 1 7   29  5  o 387.525 20.195  82188.32   8446.95  82188.32   8446.95  0.0000     0.0000   387.525 20.195  ?       ?       0.000000       20.19464  
1 1 1 7   29  6  o 462.272 7.8805  115881.00  3945.68  114327.40  7898.06  116397.70  4554.79  458.228 15.914  463.201 9.0788  -4.972992      18.32123  
1 1 1 7   29  7  o 326.151 5.7401  57653.79   2027.72  56549.51   4063.36  58019.97   2339.90  322.609 11.629  327.142 6.6037  -4.533569      13.37313  
1 1 1 7   29  8  o 162.287 3.2863  14267.28   577.654  16656.83   1172.45  13501.29   663.814  175.284 6.1756  157.861 3.8824  17.42279       7.294632  
1 1 1 7   29  9  o 335.781 5.8843  61128.89   2140.05  57212.87   4285.68  62429.71   2470.05  324.241 12.203  339.276 6.7217  -15.03537      13.93216  
1 1 1 7   29  10 o 297.574 5.2483  48005.85   1691.56  48306.28   3388.56  47906.13   1952.20  298.026 10.498  297.211 6.0644  0.8148499      12.12340  
1 1 1 7   29  11 o 272.771 4.9284  40338.63   1456.05  37676.71   2915.04  41223.54   1680.73  263.132 10.228  275.700 5.6285  -12.56796      11.67464  
1 1 1 7   29  12 o 233.463 4.2610  29545.62   1077.46  30140.57   2157.60  29347.96   1243.64  235.469 8.4600  232.642 4.9355  2.826294       9.794414  
1 1 1 7   29  13 o 227.052 4.1629  27947.24   1023.75  30254.11   2053.33  27184.09   1181.01  235.905 8.0362  223.888 4.8703  12.01720       9.396811  
1 1 1 7   29  14 o 75.064  3.2763  3053.71    266.374  2683.16    478.250  3220.36    320.728  70.004  6.3775  77.075  3.8420  -7.070801      7.445364  
1 1 1 7   29  15 o 104.966 3.2862  5971.58    373.601  6251.92    661.781  5840.43    452.627  107.161 5.7225  103.785 4.0266  3.375336       6.997115  
1 1 1 7   29  16 o 440.961 8.6846  105966.70  4147.84  108206.70  5079.61  101484.30  7185.49  444.940 10.540  428.624 15.478  16.31516       18.72602  
1 1 1 7   29  17 o 342.365 6.8428  63753.79   2537.43  62283.05   4394.76  64489.26   3107.78  336.862 12.045  343.971 8.3418  -7.108765      14.65164  
1 1 1 7   29  18 o 362.074 6.2354  71296.26   2445.28  67678.24   3456.94  74919.32   3459.35  351.942 9.0688  370.449 8.6218  -18.50717      12.51312  
1 1 1 7   29  19 o 155.465 3.3546  13107.67   564.855  13056.74   799.002  13158.55   798.648  155.050 4.7578  155.655 4.7372  -0.6052399     6.713993  
1 1 1 7   29  20 o 84.502  2.6620  3871.40    243.637  3706.65    375.568  3991.11    320.141  82.506  4.2168  85.765  3.4463  -3.259003      5.445987  
1 1 1 7   29  21 o 144.727 3.2452  11369.21   508.706  11772.25   720.151  10967.79   718.690  147.113 4.5196  141.976 4.6736  5.137131       6.501534  
1 1 1 7   29  22 o 196.252 4.0094  20957.44   852.252  20689.82   1283.29  21168.61   1139.94  194.391 6.0951  196.875 5.3459  -2.484344      8.107301  
1 1 1 7   29  23 o 81.078  2.4065  3568.35    211.326  3863.00    302.163  3286.24    295.663  84.270  3.3105  77.703  3.5131  6.566864       4.827142  
1 1 1 7   29  24 o 16.184  1.3414  142.953    23.302   139.916    31.206   146.781    35.034   15.954  1.8396  16.322  2.0253  -0.3671246     2.736049  
1 1 1 7   29  25 o 63.473  3.5253  2205.66    241.400  1970.36    323.954  2499.45    361.986  59.631  5.0637  67.226  5.0074  -7.594860      7.121410  
1 1 1 7   29  26 o 95.659  3.1861  4994.64    330.106  5408.02    454.494  4533.08    480.251  99.244  4.2282  90.519  4.9169  8.725624       6.484870  
1 1 1 7   29  27 o 43.528  2.2626  1033.87    106.304  1015.63    112.240  1192.75    331.285  43.119  2.4130  45.439  6.9525  -2.319916      7.359298  
1 1 1 7   29  28 o 56.852  2.3791  1762.04    146.498  1708.21    313.988  1777.01    165.632  55.016  5.3364  57.042  2.6809  -2.025658      5.971933  
1 1 1 7   29  29 o 65.103  3.6587  2345.36    256.941  2436.59    346.444  2233.84    383.045  65.816  4.8950  62.583  5.7140  3.232399       7.523987  
1 1 1 7   29  30 o 26.101  7.3906  418.759    218.397  433.591    269.940  390.655    371.594  26.459  8.3914  26.099  9.7603  0.3603306      12.87167  
1 1 1 7   29  31 o 15.875  6.8307  34.858     212.249  127.016    259.548  -151.1833  368.771  18.761  7.7824  17.587  8.1482  1.173784       11.26764  
1 1 1 7   29  32 o 23.414  10.682  134.254    600.724  0.0000     0.0000   134.254    600.724  ?       ?       23.414  10.682  0.000000       10.68182  
1 1 1 7   29  33 o 23.981  11.050  259.311    664.602  0.0000     0.0000   259.311    664.602  ?       ?       23.981  11.050  0.000000       11.04965  
1 1 1 7   29  34 o 45.906  14.055  2354.42    764.438  0.0000     0.0000   2354.42    764.438  ?       ?       45.906  14.055  0.000000       14.05544  
1 1 1 7   30  0  o 741.718 24.602  300950.09  19764.59 0.0000     0.0000   300950.09  19764.59 ?       ?       741.718 24.602  0.000000       24.60248  
1 1 1 7   30  1  o 335.747 8.5852  61123.43   3122.01  65460.06   4409.15  56762.95   4421.26  347.267 11.723  323.316 12.626  23.95108       17.22852  
1 1 1 7   30  2  o 347.810 12.023  65676.70   4529.05  0.0000     0.0000   65676.70   4529.05  ?       ?       347.810 12.023  0.000000       12.02251  
1 1 1 7   30  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   30  4  o 234.537 8.6860  29831.91   2206.48  29831.91   2206.48  0.0000     0.0000   234.537 8.6860  ?       ?       0.000000       8.685973  
1 1 1 7   30  5  o 307.711 5.2822  51306.40   1760.47  53954.74   3531.85  50430.87   2030.73  315.299 10.342  305.043 6.1464  10.25583       12.03071  
1 1 1 7   30  6  o 160.092 3.3102  13883.18   573.985  13976.16   1167.67  13853.55   659.117  160.565 6.7143  159.915 3.8054  0.6502380      7.717672  
1 1 1 7   30  7  o 84.185  2.6675  3838.73    243.222  3507.48    522.429  3930.40    274.823  80.212  6.0581  85.182  2.9788  -4.970215      6.750782  
1 1 1 7   30  8  o 475.931 8.0572  122904.70  4153.33  112283.90  8311.64  126439.30  4794.90  453.408 16.925  482.587 9.1735  -29.17938      19.25113  
1 1 1 7   30  9  o 280.555 4.9519  42662.39   1504.72  44132.15   3018.10  42176.20   1735.85  284.997 9.7774  278.911 5.7461  6.086182       11.34087  
1 1 1 7   30  10 o 91.759  2.6266  4560.98    261.038  4020.33    561.127  4710.29    294.891  85.883  6.0715  93.246  2.9199  -7.363007      6.737084  
1 1 1 7   30  11 o 77.299  2.6627  3236.93    222.925  3176.48    458.524  3255.65    255.104  76.326  5.5853  77.518  3.0384  -1.192039      6.358253  
1 1 1 7   30  12 o 166.994 3.5872  15112.86   648.817  14771.22   1241.81  15241.14   760.939  164.937 6.9513  167.680 4.1898  -2.743179      8.116371  
1 1 1 7   30  13 o 216.196 4.0622  25338.34   951.228  26610.15   1907.99  24917.67   1097.32  221.236 7.9625  214.355 4.7264  6.880493       9.259620  
1 1 1 7   30  14 o 173.097 3.6356  16241.21   681.606  16299.03   1299.87  16219.29   800.482  173.197 6.9293  172.950 4.2733  0.2462769      8.141043  
1 1 1 7   30  15 o 167.880 3.4378  15276.86   625.097  16208.09   1256.90  14970.84   720.524  172.700 6.7195  166.163 4.0035  6.536697       7.821761  
1 1 1 7   30  16 o 340.621 10.064  63371.90   3712.88  61677.50   4474.31  67118.80   6653.56  335.326 12.319  347.019 17.762  -11.69321      21.61598  
1 1 1 7   30  17 o 255.941 5.8421  35589.65   1619.49  36724.74   2562.46  34834.71   2089.77  259.388 9.1209  252.923 7.6285  6.464767       11.89051  
1 1 1 7   30  18 o 207.729 4.9568  23432.68   1115.25  23149.29   1784.41  23614.33   1428.66  206.020 7.9968  208.354 6.3308  -2.334045      10.19941  
1 1 1 7   30  19 o 135.732 3.1535  9990.28    463.598  9508.15    652.087  10483.02   659.224  132.322 4.5499  138.954 4.3802  -6.631912      6.315658  
1 1 1 7   30  20 f 126.698 3.0901  8707.11    424.045  8292.31    595.720  9133.16    603.742  123.537 4.4522  129.663 4.2990  -6.126709      6.188960  
1 1 1 7   30  21 o 99.329  2.9361  5353.64    315.873  5515.86    442.152  5184.55    451.414  100.734 4.0525  97.642  4.2684  3.092026       5.885798  
1 1 1 7   30  22 o 111.223 2.8659  6716.46    345.245  6602.98    491.977  6826.58    484.607  110.129 4.1245  111.996 3.9950  -1.867409      5.742091  
1 1 1 7   30  23 o 75.530  2.6744  3098.81    218.789  3657.56    378.538  2818.51    268.107  81.754  4.2899  71.963  3.4398  9.791916       5.498676  
1 1 1 7   30  24 o 45.124  2.2397  1105.63    109.464  1087.76    118.161  1213.81    290.706  44.680  2.4511  46.568  5.8958  -1.887714      6.384950  
1 1 1 7   30  25 o 67.919  2.6403  2509.51    194.229  2685.09    341.657  2425.67    236.089  69.803  4.5438  66.694  3.2683  3.109222       5.597111  
1 1 1 7   30  26 o 58.231  2.3823  1844.58    150.254  1527.23    308.571  1943.20    172.025  52.201  5.5424  59.735  2.6589  -7.533188      6.147168  
1 1 1 7   30  27 o 55.440  4.0497  1699.77    241.494  1820.67    332.591  1564.95    351.218  56.919  5.4620  52.411  6.3141  4.507427       8.348708  
1 1 1 7   30  28 o 20.291  7.1242  216.119    193.826  112.817    252.113  365.429    303.100  19.182  7.7811  25.582  8.9129  -6.400480      11.83155  
1 1 1 7   30  29 o 68.358  2.2250  2548.43    164.738  2256.36    229.690  2857.82    236.405  63.964  3.3269  72.175  3.0241  -8.211609      4.495950  
1 1 1 7   30  30 o 35.099  7.8891  769.298    292.613  681.385    459.618  829.216    379.447  31.849  10.982  35.442  9.6327  -3.592930      14.60824  
1 1 1 7   30  31 o ?       ?       -397.4379  34.463   140.614    432.604  -400.8744  34.573   21.957  9.5962  ?       ?       0.000000       9.596188  
1 1 1 7   30  32 o 25.980  11.317  416.391    597.304  0.0000     0.0000   416.391    597.304  ?       ?       25.980  11.317  0.000000       11.31729  
1 1 1 7   30  33 o 24.244  11.128  301.024    665.243  0.0000     0.0000   301.024    665.243  ?       ?       24.244  11.128  0.000000       11.12790  
1 1 1 7   30  34 o 24.283  10.325  461.337    474.668  0.0000     0.0000   461.337    474.668  ?       ?       24.283  10.325  0.000000       10.32505  
1 1 1 7   31  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   31  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   31  2  o 311.648 10.933  52711.04   3690.41  52711.04   3690.41  0.0000     0.0000   311.648 10.933  ?       ?       0.000000       10.93300  
1 1 1 7   31  3  o 361.145 12.436  70836.06   4864.36  70836.06   4864.36  0.0000     0.0000   361.145 12.436  ?       ?       0.000000       12.43579  
1 1 1 7   31  4  o 583.010 19.457  185452.30  12286.53 185452.30  12286.53 0.0000     0.0000   583.010 19.457  ?       ?       0.000000       19.45732  
1 1 1 7   31  5  o 255.301 4.5654  35313.39   1262.41  35194.14   2537.45  35352.62   1455.30  254.694 9.1983  255.423 5.2604  -0.7297821     10.59628  
1 1 1 7   31  6  o 349.885 5.6760  66348.51   2150.99  78979.76   4312.95  62166.57   2481.65  381.384 10.441  338.623 6.7663  42.76123       12.44177  
1 1 1 7   31  7  o 252.742 4.5061  34612.88   1233.53  38108.54   2478.69  33462.18   1422.13  264.999 8.6359  248.479 5.2842  16.52008       10.12432  
1 1 1 7   31  8  o 231.085 4.3230  28935.93   1082.00  27932.56   2174.59  29266.08   1247.37  226.829 8.8513  232.378 4.9560  -5.547974      10.14433  
1 1 1 7   31  9  o 89.590  2.7629  4347.94    268.104  3207.62    563.187  4682.08    304.865  76.590  6.8619  92.966  3.0277  -16.37692      7.500134  
1 1 1 7   31  10 f 154.920 3.2792  13003.39   550.240  12516.99   1111.51  13161.28   633.281  151.881 6.7568  155.847 3.7517  -3.965515      7.728489  
1 1 1 7   31  11 o 124.666 2.9814  8420.33    402.566  8776.64    814.022  8304.98    463.169  127.194 5.9088  123.800 3.4542  3.394081       6.844386  
1 1 1 7   31  12 o 297.995 5.2300  48164.00   1688.02  49380.73   3379.91  47759.67   1948.41  301.061 10.365  296.663 6.0638  4.398346       12.00868  
1 1 1 7   31  13 o 302.900 5.3400  49776.80   1751.90  48980.59   3507.22  50041.52   2022.27  299.627 10.807  303.614 6.1496  -3.987183      12.43432  
1 1 1 7   31  14 o 179.195 3.5884  17405.62   696.452  18180.75   1397.53  17149.52   803.309  182.903 7.0546  177.844 4.1704  5.059158       8.195079  
1 1 1 7   31  15 o 186.354 3.6710  18826.67   740.961  19777.04   1484.01  18511.06   855.188  190.716 7.1842  184.751 4.2737  5.965408       8.359263  
1 1 1 7   31  16 o 327.931 6.9525  58480.18   2469.41  60275.84   3873.61  57250.81   3205.13  331.966 10.773  323.979 9.1339  7.986542       14.12426  
1 1 1 7   31  17 o 105.686 3.3956  6055.71    388.696  6686.22    676.860  5745.48    474.790  110.798 5.6591  102.910 4.2596  7.887848       7.083054  
1 1 1 7   31  18 o 183.307 4.2763  18234.47   849.023  18540.71   1463.94  18079.27   1042.20  184.471 7.3270  182.426 5.2746  2.044525       9.028085  
1 1 1 7   31  19 o 127.427 3.5911  8809.17    495.628  8361.10    841.609  9047.07    613.248  123.759 6.2994  129.080 4.3864  -5.321152      7.676129  
1 1 1 7   31  20 o 63.905  3.6261  2223.82    249.951  2088.79    419.039  2298.40    311.418  61.563  6.3769  64.882  4.4585  -3.318848      7.780950  
1 1 1 7   31  21 o 66.206  2.7209  2377.94    195.109  2565.30    430.610  2329.53    218.864  68.297  5.8785  65.512  3.0845  2.784981       6.638587  
1 1 1 7   31  22 o 20.600  6.2224  234.462    150.535  224.027    206.714  246.245    219.652  21.216  7.3623  22.080  7.5934  -0.8639050     10.57655  
1 1 1 7   31  23 o 110.467 3.6475  6646.95    436.411  6322.57    774.007  6798.14    528.414  106.802 6.7254  111.576 4.3725  -4.773666      8.021861  
1 1 1 7   31  24 o 104.980 3.5693  6009.28    405.845  5939.16    712.044  6043.02    493.930  103.408 6.3887  105.103 4.3389  -1.695030      7.722802  
1 1 1 7   31  25 f 24.398  7.4790  336.602    216.369  925.794    404.463  100.394    256.093  39.409  9.5711  19.359  7.8460  20.05001       12.37597  
1 1 1 7   31  26 o 69.794  4.0556  2681.79    305.261  2541.44    533.131  2750.26    372.339  66.634  7.5185  70.417  4.9127  -3.783661      8.981229  
1 1 1 7   31  27 o 66.539  2.9079  2418.10    209.569  2504.76    526.710  2401.80    228.429  65.807  7.5250  66.259  3.1830  -0.4518509     8.170483  
1 1 1 7   31  28 o 17.183  7.3293  24.576     240.581  262.737    409.754  -100.7157  297.200  25.107  10.011  17.079  7.6794  8.028555       12.61759  
1 1 1 7   31  29 o 23.510  1.5930  301.805    40.325   567.979    430.461  299.449    40.503   30.430  10.621  23.416  1.6067  7.014074       10.74143  
1 1 1 7   31  30 o 49.928  5.8684  1457.91    311.289  1365.47    497.259  1517.48    399.184  44.934  10.420  49.729  7.6569  -4.794994      12.93056  
1 1 1 7   31  31 o 46.722  6.3971  1334.80    315.224  1333.72    501.740  1335.50    405.171  42.247  10.895  44.711  8.6798  -2.463448      13.92942  
1 1 1 7   31  32 o 21.517  9.4561  157.445    425.248  0.0000     0.0000   157.445    425.248  ?       ?       21.517  9.4561  0.000000       9.456085  
1 1 1 7   31  33 o 18.627  8.8220  -165.4155  474.395  0.0000     0.0000   -165.4155  474.395  ?       ?       18.627  8.8220  0.000000       8.822046  
1 1 1 7   31  34 o 28.411  11.350  782.465    527.605  0.0000     0.0000   782.465    527.605  ?       ?       28.411  11.350  0.000000       11.35012  
1 1 1 7   32  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   32  1  o 264.688 9.5513  38004.02   2738.21  38004.02   2738.21  0.0000     0.0000   264.688 9.5513  ?       ?       0.000000       9.551292  
1 1 1 7   32  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   32  3  o 814.748 27.072  364645.69  23889.72 364645.69  23889.72 0.0000     0.0000   814.748 27.072  ?       ?       0.000000       27.07184  
1 1 1 7   32  4  o 104.925 2.7302  5963.00    310.270  6139.56    646.964  5910.26    353.585  106.290 5.6399  104.457 3.1253  1.832916       6.447942  
1 1 1 7   32  5  o 302.744 5.2057  49666.36   1706.96  55774.45   3424.95  47647.76   1968.92  320.560 9.8645  296.492 6.1312  24.06845       11.61463  
1 1 1 7   32  6  o 318.372 5.6373  54937.48   1943.93  55324.10   3897.56  54809.46   2242.79  319.095 11.277  317.957 6.5125  1.137756       13.02265  
1 1 1 7   32  7  o 186.272 3.6085  18797.53   728.030  20407.98   1471.73  18275.77   837.704  193.985 7.0047  183.656 4.2113  10.32918       8.173196  
1 1 1 7   32  8  o 408.636 8.2237  90633.96   3639.75  87484.37   6308.99  92205.20   4456.09  400.516 14.544  411.943 9.9873  -11.42670      17.64255  
1 1 1 7   32  9  o 190.598 3.7204  19683.93   768.023  19168.12   1548.14  19852.32   884.545  187.924 7.6060  191.396 4.2670  -3.471512      8.721133  
1 1 1 7   32  10 o 145.128 3.2820  11411.74   515.892  11264.69   1010.53  11463.58   599.966  144.088 6.4752  145.445 3.8085  -1.356552      7.512169  
1 1 1 7   32  11 o 238.511 4.4365  30838.90   1146.10  27743.86   2297.15  31864.67   1322.45  225.828 9.3916  242.410 5.0368  -16.58192      10.65703  
1 1 1 7   32  12 o 140.290 3.1205  10664.39   474.155  9514.65    957.086  11038.37   545.849  132.209 6.7057  142.717 3.5312  -10.50815      7.578636  
1 1 1 7   32  13 o 136.521 3.1318  10099.89   463.093  9683.44    930.805  10236.88   533.854  133.539 6.4355  137.430 3.5865  -3.891083      7.367392  
1 1 1 7   32  14 o 292.934 5.1443  46559.93   1632.16  44271.61   3266.38  47321.42   1884.26  284.763 10.590  295.231 5.8926  -10.46866      12.11942  
1 1 1 7   32  15 o 122.527 3.0234  8136.14    401.239  7688.77    799.761  8286.62    463.838  118.808 6.2368  123.641 3.4636  -4.832458      7.134073  
1 1 1 7   32  16 o 203.505 4.5530  22468.48   1003.56  21044.95   1736.33  23182.56   1229.77  196.562 8.1557  206.628 5.4949  -10.06660      9.834130  
1 1 1 7   32  17 o 228.952 4.9638  28457.51   1230.92  26921.61   2135.07  29222.16   1506.48  222.088 8.8760  231.876 5.9984  -9.787811      10.71280  
1 1 1 7   32  18 o 276.515 4.9716  41525.16   1488.98  38755.18   2973.48  42452.21   1720.19  265.886 10.325  279.463 5.6831  -13.57690      11.78588  
1 1 1 7   32  19 o 14.916  6.1230  38.525     158.417  265.529    279.616  -68.7838   192.248  23.875  8.5388  14.175  6.2878  9.699551       10.60413  
1 1 1 7   32  20 o 96.717  2.9527  5073.93    309.309  4391.84    601.773  5318.84    360.586  89.520  6.2456  99.000  3.3628  -9.480415      7.093357  
1 1 1 7   32  21 o 182.254 4.2458  18069.98   838.119  17136.59   1447.24  18540.98   1028.06  176.619 7.5654  184.418 5.1469  -7.799316      9.150199  
1 1 1 7   32  22 o 109.795 3.3890  6554.13    403.021  6441.75    672.600  6617.09    503.398  108.302 5.7546  110.202 4.2175  -1.900291      7.134553  
1 1 1 7   32  23 o 149.046 3.8866  12112.29   627.430  11151.29   1104.55  12570.09   762.369  141.672 7.2223  151.619 4.6424  -9.946594      8.585620  
1 1 1 7   32  24 o 72.727  3.9012  2896.43    306.178  2813.38    559.498  2931.93    365.814  70.662  7.4213  73.003  4.6506  -2.341774      8.758103  
1 1 1 7   32  25 o 85.078  3.0829  3945.61    284.086  3971.95    395.142  3917.42    408.719  84.993  4.3065  84.351  4.4898  0.6421051      6.221282  
1 1 1 7   32  26 o 24.261  7.5651  334.122    220.309  303.490    409.863  346.568    261.260  26.317  10.154  25.006  8.2811  1.310600       13.10274  
1 1 1 7   32  27 o 15.805  6.9848  -52.4114   235.099  -87.4169   400.800  -34.0493   290.283  20.284  9.0337  17.893  7.8393  2.391106       11.96086  
1 1 1 7   32  28 o 62.291  2.7506  2121.36    185.580  2318.58    514.529  2091.87    198.972  62.749  7.7343  61.808  2.9722  0.9412689      8.285731  
1 1 1 7   32  29 o 34.117  6.4651  688.006    230.160  286.760    449.925  830.222    267.860  25.753  10.413  37.376  6.8699  -11.62344      12.47488  
1 1 1 7   32  30 o 21.595  8.1353  246.823    259.079  219.143    437.880  261.732    321.365  23.836  10.014  22.805  8.9373  1.030704       13.42240  
1 1 1 7   32  31 o 20.105  7.9695  202.896    258.226  468.493    448.547  71.236     315.809  26.529  10.507  18.926  8.2370  7.603300       13.35111  
1 1 1 7   32  32 o 34.202  11.091  954.989    469.588  0.0000     0.0000   954.989    469.588  ?       ?       34.202  11.091  0.000000       11.09121  
1 1 1 7   32  33 o 24.302  10.112  420.661    440.100  0.0000     0.0000   420.661    440.100  ?       ?       24.302  10.112  0.000000       10.11187  
1 1 1 7   32  34 o 24.258  10.537  452.385    514.734  0.0000     0.0000   452.385    514.734  ?       ?       24.258  10.537  0.000000       10.53677  
1 1 1 7   33  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   33  1  o 640.172 33.821  227366.70  23367.55 227366.70  23367.55 0.0000     0.0000   640.172 33.821  ?       ?       0.000000       33.82130  
1 1 1 7   33  2  o 148.796 3.4907  11992.96   562.570  12933.95   693.987  10189.52   960.750  154.516 4.1468  137.113 6.4694  17.40268       7.684295  
1 1 1 7   33  3  o 449.839 7.7141  109721.70  3758.50  109211.20  5315.47  110232.20  5315.18  448.511 10.942  450.608 10.891  -2.096924      15.43799  
1 1 1 7   33  4  o 715.839 16.707  279245.69  12953.67 287889.81  18320.22 270603.31  18318.30 724.688 23.340  702.321 24.081  22.36780       33.53632  
1 1 1 7   33  5  o 382.389 6.4081  79267.21   2654.04  78862.82   5316.14  79401.47   3063.07  380.823 12.889  382.649 7.3907  -1.825745      14.85722  
1 1 1 7   33  6  o 507.363 8.4345  139678.41  4635.00  148145.59  9277.69  136862.30  5350.56  521.088 16.438  502.045 9.8398  19.04309       19.15835  
1 1 1 7   33  7  o 363.468 6.7579  71645.05   2660.39  70279.74   7410.35  71847.05   2850.42  357.708 19.197  363.943 7.2311  -6.234406      20.51357  
1 1 1 7   33  8  o 59.407  2.6102  1911.70    167.951  2241.31    386.541  1834.99    186.472  64.050  5.6290  58.125  2.9719  5.925713       6.365401  
1 1 1 7   33  9  o 160.353 3.2918  13931.09   571.723  14407.01   1159.25  13778.13   657.208  162.961 6.5679  159.458 3.8053  3.502808       7.590597  
1 1 1 7   33  10 o 193.339 3.7330  20256.48   781.702  21173.62   1575.14  19956.79   900.406  197.479 7.3643  191.881 4.3325  5.597412       8.544168  
1 1 1 7   33  11 o 351.426 6.5130  67032.48   2479.07  62385.67   4608.93  68924.21   2940.70  337.990 12.590  356.203 7.6223  -18.21326      14.71759  
1 1 1 7   33  12 o 213.380 4.0647  24681.66   939.412  25394.57   1885.60  24446.29   1083.44  216.130 8.0550  212.324 4.7113  3.805145       9.331612  
1 1 1 7   33  13 o 129.250 3.0857  9052.69    431.970  8127.62    866.382  9358.74    498.329  122.156 6.5724  131.405 3.5013  -9.249130      7.446900  
1 1 1 7   33  14 o 99.733  2.7565  5389.69    297.758  5705.00    631.021  5299.38    337.721  102.356 5.7147  98.886  3.1532  3.470627       6.526945  
1 1 1 7   33  15 o 266.922 4.7834  38655.48   1382.90  38064.09   2769.55  38851.91   1596.12  264.118 9.6815  267.519 5.5086  -3.400299      11.13892  
1 1 1 7   33  16 o 403.455 7.9477  88648.02   3473.03  86129.54   6015.67  89907.13   4253.50  395.338 14.049  405.762 9.6784  -10.42377      17.06007  
1 1 1 7   33  17 o 213.432 4.7033  24725.61   1087.26  24517.77   1887.46  24828.83   1330.10  212.040 8.2185  213.758 5.7450  -1.717880      10.02738  
1 1 1 7   33  18 o 168.258 3.5534  15354.80   647.570  13931.48   1289.78  15834.52   748.789  159.865 7.4489  170.829 4.0470  -10.96353      8.477270  
1 1 1 7   33  19 o 166.156 3.4942  14978.03   628.823  14308.34   1247.80  15206.00   728.027  161.942 7.1140  167.367 4.0161  -5.425751      8.169383  
1 1 1 7   33  20 o 38.337  2.0203  798.760    83.594   462.809    327.586  822.160    86.456   29.200  9.2423  38.893  2.0597  -9.693428      9.469038  
1 1 1 7   33  21 o 38.626  4.3503  822.142    178.829  440.300    319.211  996.796    215.887  28.495  9.1345  42.513  4.7708  -14.01832      10.30536  
1 1 1 7   33  22 o 21.551  5.9667  262.385    144.025  91.317     207.453  421.554    200.108  17.855  7.1223  27.152  6.8150  -9.297314      9.857556  
1 1 1 7   33  23 o 69.851  2.6019  2650.60    196.850  2424.18    561.026  2682.39    210.216  65.471  8.0832  70.254  2.7626  -4.783127      8.542263  
1 1 1 7   33  24 o 83.164  2.7798  3761.85    250.393  3447.18    617.570  3823.75    273.917  78.275  7.3712  83.813  3.0174  -5.537476      7.964890  
1 1 1 7   33  25 o 67.770  2.5817  2498.94    189.504  2501.76    538.661  2498.54    202.446  66.231  7.6498  67.742  2.7592  -1.511375      8.132151  
1 1 1 7   33  26 o 60.618  2.6357  2001.70    173.049  2755.84    525.992  1910.17    183.250  69.553  7.0809  59.185  2.8587  10.36866       7.636184  
1 1 1 7   33  27 o 14.823  6.4746  -26.0470   196.671  53.548     399.352  -51.5321   225.973  21.998  9.4147  15.484  6.8451  6.514067       11.64009  
1 1 1 7   33  28 o 46.219  2.5086  1169.55    125.109  1090.11    139.508  1495.89    282.761  44.533  2.9083  51.461  5.1419  -6.928493      5.907371  
1 1 1 7   33  29 o 16.644  2.4729  154.650    43.225   -56.4602   428.030  156.826    43.448   20.828  9.3014  16.765  2.4665  4.063465       9.622900  
1 1 1 7   33  30 o 16.628  7.2541  7.5484     246.210  -298.8586  428.079  159.010    300.972  17.990  8.4778  20.518  8.4331  -2.528254      11.95785  
1 1 1 7   33  31 o 50.285  2.4708  1393.70    134.568  0.0000     0.0000   1393.70    134.568  ?       ?       50.285  2.4708  0.000000       2.470773  
1 1 1 7   33  32 f 25.334  10.173  441.355    426.243  0.0000     0.0000   441.355    426.243  ?       ?       25.334  10.173  0.000000       10.17307  
1 1 1 7   33  33 o 20.127  9.2645  40.179     465.619  0.0000     0.0000   40.179     465.619  ?       ?       20.127  9.2645  0.000000       9.264491  
1 1 1 7   33  34 o 20.017  9.1469  97.842     442.705  0.0000     0.0000   97.842     442.705  ?       ?       20.017  9.1469  0.000000       9.146911  
1 1 1 7   34  0  o 435.694 22.758  104132.30  10702.22 104132.30  10702.22 0.0000     0.0000   435.694 22.758  ?       ?       0.000000       22.75788  
1 1 1 7   34  1  o 835.208 19.443  380661.50  17588.80 392847.00  24875.20 368477.69  24873.44 845.420 27.166  818.375 28.062  27.04517       39.05688  
1 1 1 7   34  2  o 746.654 17.435  303841.19  14099.72 288586.19  19939.84 319096.81  19940.19 725.092 25.390  762.953 24.130  -37.86115      35.02724  
1 1 1 7   34  3  o 149.208 2.9700  12059.00   479.981  13021.20   678.838  11097.04   678.752  155.034 4.0427  143.117 4.3788  11.91690       5.959594  
1 1 1 7   34  4  o 198.636 4.9070  21380.13   1055.70  21707.10   2261.85  21289.05   1193.70  199.668 10.496  198.196 5.5607  1.471466       11.87779  
1 1 1 7   34  5  o 241.317 4.4725  31553.34   1168.99  29694.14   2347.39  32166.48   1348.04  233.895 9.2660  243.630 5.1086  -9.735062      10.58096  
1 1 1 7   34  6  o 378.461 6.5302  77664.73   2676.80  76172.77   5362.08  78159.96   3089.28  374.083 13.234  379.588 7.5140  -5.505585      15.21850  
1 1 1 7   34  7  o 105.208 2.7606  5995.83    314.571  6256.37    660.217  5919.31    357.795  107.275 5.7027  104.531 3.1602  2.743820       6.519831  
1 1 1 7   34  8  o 456.512 7.8507  113123.00  3881.78  100822.70  7769.00  117215.40  4481.25  429.227 16.711  464.541 8.9065  -35.31470      18.93647  
1 1 1 7   34  9  o 223.579 4.1977  27091.42   1016.50  25057.66   2042.69  27760.82   1171.91  214.746 8.7823  226.298 4.7812  -11.55182      9.999421  
1 1 1 7   34  10 o 124.750 2.9868  8431.63    403.564  8896.60    812.667  8279.44    464.944  128.063 5.8589  123.609 3.4728  4.453941       6.810820  
1 1 1 7   34  11 o 326.894 5.6818  57972.33   2011.71  57042.00   4029.45  58281.20   2321.76  323.376 11.504  327.669 6.5420  -4.292725      13.23447  
1 1 1 7   34  12 o 235.067 4.3479  29959.27   1106.99  30088.43   2219.58  29916.51   1277.16  235.161 8.7144  234.854 5.0209  0.3068085      10.05729  
1 1 1 7   34  13 o 395.676 6.7205  85046.40   2880.12  87844.55   5764.33  84115.45   3324.90  400.347 13.294  393.294 7.8053  7.052399       15.41567  
1 1 1 7   34  14 o 330.047 5.7054  59136.11   2039.56  59254.30   4082.41  59096.80   2354.44  329.164 11.451  329.803 6.5912  -0.6387939     13.21223  
1 1 1 7   34  15 o 247.100 4.5142  33121.69   1208.17  32805.28   2419.65  33226.77   1394.43  245.288 9.1077  247.424 5.2034  -2.135544      10.48926  
1 1 1 7   34  16 o 176.694 4.4168  16937.78   845.278  15972.62   1362.51  17541.66   1077.75  171.317 7.3429  179.725 5.5366  -8.407684      9.196313  
1 1 1 7   34  17 o 124.248 3.5852  8371.67    482.477  8750.30    838.000  8183.93    590.094  126.863 6.0988  122.802 4.4365  4.060226       7.541728  
1 1 1 7   34  18 o 119.593 3.0625  7754.55    396.695  7838.06    794.571  7726.82    457.837  119.871 6.1406  119.356 3.5416  0.5147858      7.088701  
1 1 1 7   34  19 o 154.372 3.3632  12928.08   562.333  11762.22   1113.08  13327.62   651.602  146.821 6.9995  156.698 3.8393  -9.876495      7.983312  
1 1 1 7   34  20 o 146.298 3.2961  11616.52   522.286  10537.26   1030.12  11989.95   605.944  138.827 6.8508  148.580 3.7653  -9.753220      7.817396  
1 1 1 7   34  21 o 158.117 3.3728  13581.85   577.609  11984.65   1139.68  14133.92   670.038  147.732 7.1226  161.224 3.8371  -13.49275      8.090419  
1 1 1 7   34  22 o 235.738 4.5026  30324.27   1149.65  34318.28   2175.28  28776.31   1354.23  248.710 8.0752  229.238 5.4542  19.47180       9.744611  
1 1 1 7   34  23 o 113.780 3.1544  7044.30    388.736  7277.39    800.626  6972.40    444.668  114.603 6.4766  113.110 3.6296  1.492371       7.424318  
1 1 1 7   34  24 o 87.504  3.2406  4172.02    307.128  4955.05    643.112  3940.67    349.567  94.360  6.3293  84.946  3.7994  9.413818       7.382079  
1 1 1 7   34  25 o 87.555  3.2815  4183.48    311.183  5010.92    651.201  3938.62    354.247  94.619  6.3917  84.830  3.8555  9.789261       7.464550  
1 1 1 7   34  26 o 95.349  3.2807  4969.76    338.811  5084.55    700.533  4934.71    387.096  94.742  6.8735  94.871  3.7672  -0.1291962     7.838188  
1 1 1 7   34  27 o 39.911  1.4933  864.694    64.552   543.361    452.693  871.363    65.219   30.747  10.879  40.064  1.5030  -9.316961      10.98201  
1 1 1 7   34  28 o 74.300  3.6592  3041.62    294.475  2698.64    566.647  3168.52    344.673  67.569  7.8914  75.508  4.2315  -7.938637      8.954313  
1 1 1 7   34  29 o 33.991  6.4831  685.768    229.966  473.939    448.884  761.148    267.775  28.597  10.721  35.520  7.2066  -6.923109      12.91804  
1 1 1 7   34  30 o 31.244  1.5537  531.574    52.579   206.320    453.734  536.001    52.936   23.671  10.080  31.374  1.5578  -7.703196      10.20006  
1 1 1 7   34  31 o 28.315  9.1237  557.856    318.146  0.0000     0.0000   557.856    318.146  ?       ?       28.315  9.1237  0.000000       9.123743  
1 1 1 7   34  32 o 31.959  11.131  846.679    472.746  0.0000     0.0000   846.679    472.746  ?       ?       31.959  11.131  0.000000       11.13138  
1 1 1 7   34  33 o 16.019  7.7497  -360.5804  411.296  0.0000     0.0000   -360.5804  411.296  ?       ?       16.019  7.7497  0.000000       7.749749  
1 1 1 7   34  34 o 37.112  2.0145  761.454    80.672   0.0000     0.0000   761.454    80.672   ?       ?       37.112  2.0145  0.000000       2.014529  
1 1 1 7   35  0  o 534.122 9.3541  154784.50  5411.42  162257.30  8397.21  149476.80  7076.86  546.203 14.194  524.508 12.457  21.69543       18.88533  
1 1 1 7   35  1  o 78.592  2.4662  3345.42    209.932  3242.66    298.937  3445.42    294.882  77.370  3.5673  79.753  3.4138  -2.383171      4.937540  
1 1 1 7   35  2  o 292.597 5.3953  46394.49   1709.83  47794.89   2418.29  44994.59   2417.85  296.888 7.5205  288.048 7.7499  8.840027       10.79898  
1 1 1 7   35  3  o 587.162 11.491  187298.30  7307.59  184354.50  8948.57  193191.41  12661.00 582.045 14.195  594.516 19.662  -12.47064      24.25070  
1 1 1 7   35  4  o 346.609 5.8562  65118.89   2198.50  65945.42   3109.57  64292.80   3108.73  348.651 8.2345  344.247 8.3376  4.403992       11.71852  
1 1 1 7   35  5  o 251.087 4.5272  34161.84   1231.19  37380.31   2473.10  33101.36   1419.61  262.445 8.7003  247.133 5.3036  15.31187       10.18936  
1 1 1 7   35  6  o 643.708 12.603  225508.70  8787.14  215229.70  15224.10 230643.91  10760.47 625.519 22.471  650.245 15.279  -24.72583      27.17313  
1 1 1 7   35  7  o 262.301 4.7153  37288.70   1339.61  36062.50   2689.50  37693.29   1544.88  257.633 9.6383  263.687 5.4092  -6.054230      11.05242  
1 1 1 7   35  8  o 214.160 3.9943  24853.96   926.504  27497.01   1866.77  23990.11   1067.22  225.068 7.6578  210.381 4.6836  14.68764       8.976559  
1 1 1 7   35  9  o 127.348 2.9884  8786.18    412.193  7848.69    842.480  9081.22    472.625  120.096 6.5010  129.461 3.3706  -9.365242      7.322852  
1 1 1 7   35  10 o 174.297 3.5444  16462.52   669.124  16073.63   1351.62  16588.77   770.116  172.050 7.2532  174.946 4.0643  -2.895905      8.314259  
1 1 1 7   35  11 o 403.711 7.3762  88534.15   3225.32  88605.69   5985.36  88504.88   3828.78  402.361 13.734  403.391 8.7632  -1.029938      16.29179  
1 1 1 7   35  12 o 290.311 5.1462  45719.20   1618.16  45681.75   3242.56  45731.63   1867.29  289.454 10.343  290.270 5.9394  -0.8157043     11.92685  
1 1 1 7   35  13 o 175.098 3.6267  16618.91   687.809  15817.12   1317.88  16919.07   806.337  170.596 7.1324  176.643 4.2145  -6.047302      8.284549  
1 1 1 7   35  14 o 108.370 2.9086  6364.15    341.398  6288.29    711.197  6386.87    389.168  107.429 6.1377  108.553 3.3100  -1.124107      6.973295  
1 1 1 7   35  15 o 148.080 3.2510  11885.45   521.409  12472.20   1051.76  11694.26   600.379  151.498 6.4097  146.861 3.7744  4.636551       7.438449  
1 1 1 7   35  16 o 161.937 3.9730  14222.48   696.843  14757.27   1199.88  13950.30   855.997  164.727 6.7252  160.316 4.9297  4.410355       8.338478  
1 1 1 7   35  17 o 257.572 5.4177  36042.88   1511.41  36605.42   2622.41  35763.08   1849.48  258.761 9.3569  256.362 6.6608  2.398865       11.48551  
1 1 1 7   35  18 o 152.595 3.3660  12628.66   556.317  12902.22   1108.20  12536.50   643.240  153.913 6.6477  151.999 3.9072  1.913971       7.710914  
1 1 1 7   35  19 o 109.660 3.0740  6522.35    365.104  6379.52    716.452  6572.46    424.337  108.034 6.1483  110.052 3.5599  -2.018517      7.104587  
1 1 1 7   35  20 o 31.578  5.0766  556.509    167.748  288.401    303.464  674.480    201.299  24.795  8.8926  34.755  5.5331  -9.959276      10.47342  
1 1 1 7   35  21 o 60.987  3.1835  2025.71    209.556  2110.80    399.070  1993.31    246.237  61.818  6.0373  60.426  3.7814  1.392174       7.123744  
1 1 1 7   35  22 o 46.403  4.1381  1183.09    205.797  1026.33    500.560  1214.98    225.760  41.796  10.932  46.970  4.4925  -5.173550      11.81948  
1 1 1 7   35  23 o 68.782  3.3765  2576.54    251.546  2862.06    559.735  2504.28    281.582  71.406  7.3419  67.645  3.8592  3.760368       8.294419  
1 1 1 7   35  24 o 41.425  4.8902  955.144    215.184  932.552    479.482  960.841    240.794  39.458  10.872  41.403  5.5061  -1.945168      12.18639  
1 1 1 7   35  25 o 79.408  3.3659  3443.09    289.496  3940.27    610.905  3299.11    328.752  83.649  6.8018  77.519  3.9284  6.129723       7.854682  
1 1 1 7   35  26 o 91.250  2.9718  4544.96    293.714  4355.25    471.878  4664.95    375.272  88.586  4.9377  92.230  3.7567  -3.643990      6.204302  
1 1 1 7   35  27 o 11.099  5.3593  -293.0551  194.349  -472.3239  442.186  -250.1330  216.368  17.723  8.4297  12.460  5.9177  5.263005       10.29946  
1 1 1 7   35  28 o 24.336  1.6121  323.223    42.252   -116.0407  455.399  327.037    42.435   21.033  9.4771  24.480  1.6094  -3.447544      9.612834  
1 1 1 7   35  29 o 40.879  5.8183  970.906    250.343  560.456    492.884  1113.61    290.620  30.275  11.257  43.562  6.3459  -13.28733      12.92242  
1 1 1 7   35  30 o 14.367  6.6453  -141.4638  243.788  -413.8742  429.380  -11.8760   296.150  17.001  8.1461  17.608  7.8077  -0.6072407     11.28357  
1 1 1 7   35  31 o 46.207  2.7873  1186.89    138.842  0.0000     0.0000   1186.89    138.842  ?       ?       46.207  2.7873  0.000000       2.787294  
1 1 1 7   35  32 o 32.286  10.577  834.411    426.654  0.0000     0.0000   834.411    426.654  ?       ?       32.286  10.577  0.000000       10.57730  
1 1 1 7   35  33 o 30.385  11.146  835.345    480.392  0.0000     0.0000   835.345    480.392  ?       ?       30.385  11.146  0.000000       11.14637  
1 1 1 7   36  0  o 448.190 8.1230  108948.60  3943.18  109612.30  6107.42  108474.20  5163.64  449.081 12.556  446.968 10.666  2.112885       16.47511  
1 1 1 7   36  1  o 598.444 10.226  194424.91  6628.37  191587.00  9374.23  197262.41  9373.62  593.309 14.588  602.076 14.374  -8.767151      20.47970  
1 1 1 7   36  2  o 270.173 5.0515  39554.47   1478.20  38112.77   2090.56  40995.96   2090.41  265.115 7.2805  274.972 7.0189  -9.857574      10.11290  
1 1 1 7   36  3  o 390.822 6.7072  82813.65   2839.18  84542.39   4015.49  81085.38   4014.93  394.659 9.3939  386.487 9.5912  8.171844       13.42520  
1 1 1 7   36  4  o 435.952 7.9782  103105.60  3767.16  106816.70  5832.93  100449.80  4934.26  443.215 12.151  430.013 10.594  13.20224       16.12075  
1 1 1 7   36  5  o 272.863 5.4999  40357.65   1625.42  42335.83   2822.17  39375.73   1988.32  279.233 9.3314  269.458 6.8128  9.774353       11.55376  
1 1 1 7   36  6  o 187.455 3.8872  19039.40   789.239  19004.79   1961.22  19046.08   862.128  186.787 9.7278  187.479 4.2457  -0.6918793     10.61394  
1 1 1 7   36  7  o 371.942 6.4063  75033.93   2580.77  74160.02   5169.65  75324.02   2978.47  368.900 12.938  372.567 7.3811  -3.667236      14.89575  
1 1 1 7   36  8  o 277.357 5.0754  41705.25   1524.68  38678.85   3058.55  42706.00   1758.79  266.616 10.592  280.619 5.7866  -14.00214      12.06921  
1 1 1 7   36  9  o 257.344 4.5916  35900.90   1279.82  36339.27   2569.38  35756.25   1475.94  258.521 9.1762  256.782 5.3068  1.739655       10.60024  
1 1 1 7   36  10 o 294.285 5.1975  46967.12   1656.65  43904.37   3320.55  47982.11   1911.55  283.860 10.800  297.384 5.9347  -13.52383      12.32343  
1 1 1 7   36  11 o 216.221 4.0929  25343.18   958.526  24076.65   1926.31  25759.97   1105.05  210.412 8.4525  217.959 4.6810  -7.546295      9.662113  
1 1 1 7   36  12 o 309.461 5.4315  51961.90   1820.51  50614.98   3646.98  52408.92   2100.99  304.508 11.058  310.694 6.2434  -6.185791      12.69854  
1 1 1 7   36  13 o 214.897 4.0613  25038.70   945.295  23657.72   1897.40  25494.64   1090.23  208.486 8.4026  216.806 4.6428  -8.320038      9.599924  
1 1 1 7   36  14 o 74.882  2.7954  3038.49    226.718  2704.27    463.754  3143.45    259.892  70.295  6.1530  76.158  3.1507  -5.862953      6.912791  
1 1 1 7   36  15 o 129.176 3.0817  9043.91    431.170  9655.96    870.044  8844.66    496.415  133.325 6.0250  127.727 3.5883  5.597458       7.012646  
1 1 1 7   36  16 o 117.761 3.5610  7519.33    454.197  7964.01    779.020  7290.33    559.049  121.061 5.9412  115.914 4.4529  5.146950       7.424691  
1 1 1 7   36  17 o 217.141 5.1249  25608.53   1205.32  23874.16   1926.13  26724.83   1545.27  209.128 8.5036  221.638 6.4371  -12.50941      10.66524  
1 1 1 7   36  18 o 183.758 3.7059  18320.37   737.589  17613.71   1466.34  18559.74   853.415  179.661 7.5355  184.900 4.2614  -5.238815      8.656987  
1 1 1 7   36  19 o 114.005 3.0950  7050.09    382.164  6976.43    751.782  7075.75    443.780  112.969 6.1675  114.180 3.5885  -1.211128      7.135481  
1 1 1 7   36  20 f 92.559  2.8305  4648.07    283.761  5221.94    579.065  4466.72    325.524  97.706  5.4942  90.704  3.3135  7.002251       6.415998  
1 1 1 7   36  21 o 107.580 3.0266  6285.37    352.663  5852.99    674.379  6448.12    413.746  103.204 6.0596  108.911 3.5075  -5.706909      7.001524  
1 1 1 7   36  22 o 141.970 3.3040  10964.11   508.056  12085.70   1036.62  10609.53   582.859  148.124 6.4614  139.542 3.8564  8.581436       7.524747  
1 1 1 7   36  23 o 51.465  2.2483  1438.04    125.324  1130.13    497.560  1458.89    129.499  43.627  10.628  51.833  2.3067  -8.205654      10.87527  
1 1 1 7   36  24 f 57.718  2.4827  1811.01    155.208  1539.83    523.252  1837.17    162.522  51.088  9.8131  58.124  2.5816  -7.036804      10.14695  
1 1 1 7   36  25 o 64.797  2.5324  2284.73    177.730  2327.44    548.370  2279.72    187.871  63.555  8.1543  64.708  2.6806  -1.152718      8.583648  
1 1 1 7   36  26 o 68.924  2.5594  2588.19    191.063  2684.15    564.439  2575.77    203.050  68.161  7.7852  68.731  2.7276  -0.5696106     8.249191  
1 1 1 7   36  27 o 32.929  6.3461  631.784    218.128  932.455    480.445  553.715    244.814  38.331  10.998  30.466  7.4752  7.865492       13.29829  
1 1 1 7   36  28 f 58.854  4.1002  1926.28    259.738  2316.35    559.091  1818.92    293.312  62.057  8.5447  56.906  4.8037  5.150757       9.802403  
1 1 1 7   36  29 o 47.493  2.0382  1230.23    104.847  1043.54    521.373  1238.10    107.034  38.885  11.543  47.639  2.0744  -8.754105      11.72798  
1 1 1 7   36  30 o 22.776  8.3076  307.363    266.312  78.447     473.775  413.102    321.997  22.204  9.8590  25.487  9.1580  -3.283085      13.45618  
1 1 1 7   36  31 o 22.362  9.4941  222.543    400.261  0.0000     0.0000   222.543    400.261  ?       ?       22.362  9.4941  0.000000       9.494078  
1 1 1 7   36  32 o 19.540  9.0316  -42.8263   449.161  0.0000     0.0000   -42.8263   449.161  ?       ?       19.540  9.0316  0.000000       9.031581  
1 1 1 7   36  33 o 25.207  10.517  501.676    477.871  0.0000     0.0000   501.676    477.871  ?       ?       25.207  10.517  0.000000       10.51662  
1 1 1 7   37  0  o 197.905 3.9833  21218.93   853.828  22466.43   1142.95  19643.57   1284.38  203.611 5.1827  190.362 6.2294  13.24911       8.103392  
1 1 1 7   37  1  o 235.451 4.8002  30039.56   1224.15  30925.02   1865.34  29369.73   1622.39  238.808 7.2117  232.757 6.4355  6.051407       9.665630  
1 1 1 7   37  2  o 422.843 7.6525  96975.98   3504.73  96601.47   5423.06  97244.58   4592.68  421.570 11.877  423.196 10.020  -1.625824      15.53883  
1 1 1 7   37  3  o 326.287 5.5281  57704.18   1953.66  59247.81   2763.22  56161.30   2762.56  330.491 7.7194  321.753 7.9272  8.737976       11.06480  
1 1 1 7   37  4  o 279.385 4.9620  42302.16   1501.51  42235.23   2123.69  42369.07   2123.22  279.062 7.0262  279.505 7.0135  -0.4425354     9.927567  
1 1 1 7   37  5  o 260.253 5.3448  36713.67   1506.59  36901.65   2616.06  36620.38   1842.88  260.679 9.2656  259.862 6.5476  0.8167419      11.34558  
1 1 1 7   37  6  o 450.933 7.5853  110344.80  3704.70  107245.00  7416.89  111375.30  4276.38  443.131 15.453  452.885 8.7180  -9.753937      17.74278  
1 1 1 7   37  7  o 222.974 4.1554  26943.08   1003.55  26485.38   2020.43  27092.98   1156.27  220.835 8.4471  223.569 4.7751  -2.734314      9.703337  
1 1 1 7   37  8  o 237.171 4.2298  30486.69   1086.56  34003.57   2186.11  29332.87   1252.18  250.213 8.0666  232.604 4.9702  17.60924       9.474913  
1 1 1 7   37  9  o 182.642 3.5853  18076.73   709.245  19035.62   1433.46  17765.89   816.143  187.252 7.0679  181.045 4.1621  6.206604       8.202324  
1 1 1 7   37  10 o 160.326 3.3396  13928.67   579.927  14531.19   1174.39  13734.37   666.913  163.611 6.6272  159.187 3.8680  4.424011       7.673404  
1 1 1 7   37  11 o 261.589 4.7505  37108.55   1345.95  36859.05   2699.93  37191.06   1552.63  260.161 9.5817  261.820 5.4751  -1.659607      11.03564  
1 1 1 7   37  12 o 314.293 5.4807  53601.76   1865.70  56202.71   3738.59  52739.20   2152.95  320.916 10.756  311.644 6.3783  9.272064       12.50487  
1 1 1 7   37  13 o 211.171 4.2126  24180.80   963.503  24777.15   1824.98  23950.34   1134.50  213.414 7.8952  210.108 4.9853  3.305435       9.337457  
1 1 1 7   37  14 o 49.381  3.0960  1326.75    164.751  1539.89    356.921  1269.04    185.720  52.862  6.3616  48.251  3.5792  4.611103       7.299341  
1 1 1 7   37  15 o 184.902 3.8696  18539.17   774.966  19068.24   1477.77  18338.48   910.159  187.211 7.2879  183.851 4.5707  3.359909       8.602618  
1 1 1 7   37  16 o 119.132 3.5715  7695.73    460.833  7898.48    796.745  7593.81    564.915  120.388 6.1307  118.301 4.4088  2.086578       7.551341  
1 1 1 7   37  17 o 385.850 7.6738  81168.00   3207.01  80610.52   5557.86  81446.27   3926.66  381.899 13.437  385.869 9.3954  -3.969849      16.39558  
1 1 1 7   37  18 o 245.132 4.4625  32632.51   1184.81  32140.46   2367.40  32796.94   1368.52  242.239 9.0231  245.637 5.1438  -3.397751      10.38633  
1 1 1 7   37  19 o 55.114  2.5145  1646.89    150.104  1988.03    421.096  1597.24    160.657  60.002  6.5880  54.202  2.7456  5.800331       7.137181  
1 1 1 7   37  20 o 153.664 3.4200  12823.90   569.206  12652.19   1120.02  12883.70   660.920  151.996 6.8033  153.947 3.9638  -1.951370      7.873813  
1 1 1 7   37  21 o 61.444  2.5335  2048.88    168.604  2320.23    408.691  1993.23    185.088  64.832  5.8843  60.589  2.8204  4.242580       6.525325  
1 1 1 7   37  22 o 42.496  4.7715  999.482    215.824  713.481    482.607  1070.98    241.297  35.441  11.218  43.929  5.1704  -8.487934      12.35222  
1 1 1 7   37  23 o 17.731  6.8935  112.150    190.025  -531.2925  439.416  260.161    210.750  17.594  8.3782  22.199  7.4401  -4.605173      11.20487  
1 1 1 7   37  24 o 54.046  4.0677  1607.47    236.366  2009.19    512.701  1499.04    266.361  59.144  8.2263  52.020  4.7810  7.123722       9.514688  
1 1 1 7   37  25 o 59.388  3.9090  1940.51    250.035  2608.20    537.348  1755.99    282.479  67.610  7.4622  56.288  4.6757  11.32235       8.806108  
1 1 1 7   37  26 o 101.974 3.1792  5685.24    351.142  6184.25    739.804  5540.13    398.944  104.573 6.5650  100.508 3.6647  4.064568       7.518632  
1 1 1 7   37  27 o 24.458  7.2022  350.788    203.650  270.573    483.123  368.121    224.577  26.524  10.767  25.062  7.6069  1.462429       13.18326  
1 1 1 7   37  28 f 39.960  5.3209  911.466    224.566  457.994    507.564  1021.84    250.409  29.299  11.301  42.229  5.6140  -12.92944      12.61870  
1 1 1 7   37  29 o 65.465  2.7607  2352.55    195.749  2219.36    251.564  2556.97    311.650  63.150  3.6941  67.490  4.2856  -4.340340      5.657988  
1 1 1 7   37  30 o 44.395  2.5809  1089.35    123.569  909.062    540.196  1099.30    126.934  34.117  11.898  44.577  2.6408  -10.46049      12.18763  
1 1 1 7   37  31 o 56.599  8.2772  2113.27    492.420  0.0000     0.0000   2113.27    492.420  ?       ?       56.599  8.2772  0.000000       8.277247  
1 1 1 7   37  32 o 33.434  10.741  914.717    441.217  0.0000     0.0000   914.717    441.217  ?       ?       33.434  10.741  0.000000       10.74147  
1 1 1 7   37  33 o 30.006  11.052  816.660    472.946  0.0000     0.0000   816.660    472.946  ?       ?       30.006  11.052  0.000000       11.05173  
1 1 1 7   38  0  o 404.314 7.0544  88644.37   3089.20  88019.13   4368.96  89269.52   4368.62  402.615 10.019  405.472 9.9475  -2.857391      14.11843  
1 1 1 7   38  1  f 232.342 4.2795  29249.05   1076.94  29490.95   1523.73  29007.60   1522.32  233.244 6.0315  231.323 6.0760  1.921005       8.561381  
1 1 1 7   38  2  o 286.414 5.1057  44457.72   1583.87  43363.64   2240.03  45551.59   2239.83  282.759 7.3142  289.815 7.1355  -7.056122      10.21825  
1 1 1 7   38  3  o 273.348 4.6480  40490.06   1376.11  40722.93   1946.28  40257.28   1945.96  274.046 6.5571  272.473 6.5939  1.573212       9.299152  
1 1 1 7   38  4  o 223.933 4.2439  27172.08   1029.33  28195.66   1456.34  26150.31   1455.05  228.051 5.8960  219.615 6.1171  8.436447       8.495996  
1 1 1 7   38  5  o 316.910 5.4040  54443.64   1854.91  57279.00   2624.26  51612.73   2622.21  324.910 7.4572  308.389 7.8505  16.52100       10.82774  
1 1 1 7   38  6  o 553.362 10.465  166518.80  6272.17  186891.09  10870.73 156352.41  7679.33  584.187 17.181  535.538 13.239  48.64868       21.68982  
1 1 1 7   38  7  o 385.535 6.5507  80640.89   2735.42  81426.77   5479.18  80379.98   3156.98  386.361 13.093  384.793 7.5749  1.567871       15.12666  
1 1 1 7   38  8  o 227.280 4.3244  27999.04   1064.54  25376.58   2140.07  28861.29   1227.12  216.045 9.1456  230.723 4.9105  -14.67838      10.38055  
1 1 1 7   38  9  o 162.736 3.3900  14350.42   597.528  14099.53   1211.94  14431.00   686.804  161.156 6.9433  163.177 3.8860  -2.021591      7.956800  
1 1 1 7   38  10 o 280.295 5.0241  42607.74   1525.25  42917.15   3059.21  42505.39   1759.55  280.712 10.062  279.892 5.8042  0.8198242      11.61591  
1 1 1 7   38  11 f 224.701 4.2312  27373.96   1029.77  26714.92   2069.51  27590.84   1187.18  221.589 8.6228  225.549 4.8596  -3.960678      9.897937  
1 1 1 7   38  12 o 243.880 5.1817  32269.51   1368.73  30762.88   2376.09  33017.73   1674.46  237.644 9.2314  246.586 6.2695  -8.941849      11.15908  
1 1 1 7   38  13 o 144.292 3.1323  11283.47   489.525  11745.23   993.097  11135.26   562.627  147.057 6.2350  143.324 3.6244  3.733185       7.211868  
1 1 1 7   38  14 o 140.325 3.1569  10672.33   479.808  9780.95    973.031  10958.71   551.523  134.148 6.6969  142.179 3.5814  -8.030350      7.594381  
1 1 1 7   38  15 o 183.651 3.6444  18287.03   724.919  19014.65   1454.25  18046.44   836.220  186.949 7.1820  182.401 4.2328  4.547897       8.336497  
1 1 1 7   38  16 o 167.548 4.0642  15228.73   737.532  14106.96   1279.34  15787.12   902.620  160.949 7.3388  170.528 4.8870  -9.578583      8.817084  
1 1 1 7   38  17 f 215.495 4.7624  25216.89   1111.57  24518.56   1928.02  25564.57   1360.42  211.887 8.4011  216.835 5.7926  -4.948624      10.20457  
1 1 1 7   38  18 o 122.364 3.1396  8120.38    416.100  7356.02    826.807  8379.63    481.522  115.990 6.6087  124.275 3.5774  -8.284996      7.514799  
1 1 1 7   38  19 o 115.189 3.0834  7198.66    384.697  6770.07    760.350  7346.12    445.991  111.206 6.3389  116.329 3.5397  -5.123169      7.260275  
1 1 1 7   38  20 o 124.229 3.1405  8378.89    422.558  8314.28    827.308  8401.70    491.506  123.143 6.2230  124.343 3.6495  -1.200661      7.214195  
1 1 1 7   38  21 o 100.278 3.0278  5462.86    328.854  6879.26    703.991  5067.52    371.927  111.908 5.8283  96.524  3.5576  15.38441       6.828249  
1 1 1 7   38  22 o 128.847 3.2816  9033.29    457.968  8728.27    939.663  9128.32    524.475  125.446 6.9429  129.431 3.7413  -3.985191      7.886739  
1 1 1 7   38  23 o 60.813  3.8130  2026.06    249.883  1664.88    530.706  2128.95    283.246  53.480  9.5106  62.264  4.2251  -8.784626      10.40688  
1 1 1 7   38  24 o 58.903  2.4028  1886.12    153.294  2207.52    522.375  1855.84    160.354  62.118  7.9462  58.415  2.5344  3.703106       8.340634  
1 1 1 7   38  25 o 79.382  2.8762  3434.73    247.290  4032.69    616.565  3320.11    269.954  84.534  6.7914  77.987  3.1959  6.546844       7.505808  
1 1 1 7   38  26 o 26.322  7.1865  407.116    210.634  824.795    474.661  304.699    235.044  36.473  11.056  23.484  7.8573  12.98924       13.56405  
1 1 1 7   38  27 o 51.003  4.5456  1453.66    248.473  1509.61    533.936  1438.19    280.723  49.075  10.370  50.488  5.2084  -1.413139      11.60443  
1 1 1 7   38  28 o 22.581  7.5937  288.088    219.549  -173.8308  479.518  410.603    246.954  20.932  9.5474  26.174  7.9841  -5.241718      12.44582  
1 1 1 7   38  29 o 56.438  2.5995  1747.03    158.907  2108.83    563.103  1715.72    165.639  57.422  9.3778  55.892  2.7361  1.529186       9.768806  
1 1 1 7   38  30 o 49.087  6.5726  1471.41    340.669  0.0000     0.0000   1471.41    340.669  ?       ?       49.087  6.5726  0.000000       6.572646  
1 1 1 7   38  31 o 33.158  9.6799  800.872    369.283  0.0000     0.0000   800.872    369.283  ?       ?       33.158  9.6799  0.000000       9.679914  
1 1 1 7   38  32 o 46.645  9.7426  1608.78    476.325  0.0000     0.0000   1608.78    476.325  ?       ?       46.645  9.7426  0.000000       9.742562  
1 1 1 7   38  33 o 15.186  7.4777  -568.2449  434.914  0.0000     0.0000   -568.2449  434.914  ?       ?       15.186  7.4777  0.000000       7.477692  
1 1 1 7   39  0  o 305.586 5.4523  50614.33   1804.61  50541.96   2552.52  50686.66   2551.68  305.237 7.7208  305.675 7.7072  -0.4375305     10.90925  
1 1 1 7   39  1  o 624.071 10.345  211571.00  6992.46  212343.80  9889.40  210798.41  9888.26  624.245 14.627  621.955 14.679  2.289490       20.72211  
1 1 1 7   39  2  o 401.418 6.7015  87381.29   2913.67  87705.34   4120.86  87057.32   4120.23  401.892 9.4669  400.400 9.5007  1.491333       13.41217  
1 1 1 7   39  3  o 564.365 10.129  173047.70  6191.67  177325.50  9613.87  170015.70  8093.72  570.043 15.571  558.728 13.375  11.31555       20.52650  
1 1 1 7   39  4  o 319.874 5.5605  55469.45   1926.47  58345.54   2725.14  52596.30   2723.75  327.907 7.6731  311.299 8.0783  16.60812       11.14157  
1 1 1 7   39  5  o 604.028 10.193  198342.41  6668.74  200837.30  9431.39  195847.91  9430.64  606.677 14.353  599.036 14.535  7.640930       20.42751  
1 1 1 7   39  6  o 212.777 4.7302  24540.58   1090.13  23534.28   1899.21  25035.02   1331.28  208.165 8.4236  214.865 5.7205  -6.700546      10.18236  
1 1 1 7   39  7  o 149.119 3.2008  12047.71   516.971  12481.09   1056.11  11911.14   592.856  151.672 6.4289  148.260 3.6919  3.411606       7.413551  
1 1 1 7   39  8  o 286.672 5.4349  44569.35   1687.51  45699.00   4567.98  44390.82   1815.97  288.618 14.661  286.063 5.8611  2.554901       15.78900  
1 1 1 7   39  9  o 239.669 4.3854  31139.14   1138.40  32709.32   2288.64  30622.93   1312.26  245.280 8.6148  237.631 5.0985  7.648315       10.01050  
1 1 1 7   39  10 o 87.040  2.7006  4104.57    254.593  3984.57    539.588  4138.93    288.756  85.491  5.8628  87.399  3.0504  -1.908127      6.608884  
1 1 1 7   39  11 o 150.719 3.2413  12310.26   529.116  12205.34   1073.46  12343.93   608.122  149.916 6.6110  150.909 3.7205  -0.9929047     7.586051  
1 1 1 7   39  12 o 211.690 4.0109  24295.72   919.637  25024.24   1848.69  24056.16   1060.11  214.488 7.9577  210.604 4.6475  3.884201       9.215458  
1 1 1 7   39  13 o 156.258 3.4319  13234.68   580.821  13350.18   1130.48  13193.25   677.011  156.746 6.6588  155.988 4.0071  0.7574005      7.771556  
1 1 1 7   39  14 o 335.651 5.8109  61181.07   2112.51  60232.92   4230.44  61496.04   2438.27  331.620 11.778  336.362 6.6927  -4.742432      13.54683  
1 1 1 7   39  15 o 290.820 5.5120  45931.21   1736.21  46350.27   3242.62  45762.79   2055.72  291.134 10.283  290.120 6.5421  1.013184       12.18794  
1 1 1 7   39  16 o 120.601 3.5577  7887.16    464.716  6702.10    803.216  8483.45    569.761  110.781 6.7260  125.043 4.2069  -14.26271      7.933311  
1 1 1 7   39  17 o 301.898 6.1792  49595.02   2020.53  51196.66   3504.69  48797.64   2472.86  305.324 10.598  299.086 7.6337  6.237305       13.06093  
1 1 1 7   39  18 o 151.942 3.4045  12525.00   560.275  12159.95   1083.12  12658.37   654.666  149.327 6.6968  152.701 3.9583  -3.373352      7.779169  
1 1 1 7   39  19 o 125.083 3.1287  8489.87    423.872  8363.22    843.302  8532.68    490.310  123.609 6.3200  125.356 3.6112  -1.746613      7.278946  
1 1 1 7   39  20 o 265.051 4.8156  38284.55   1382.45  36785.39   2761.17  38786.07   1597.04  257.221 9.9110  266.515 5.5325  -9.294373      11.35062  
1 1 1 7   39  21 o 116.607 3.1109  7389.48    392.901  7635.87    804.719  7312.37    450.210  117.725 6.3344  115.930 3.5855  1.794922       7.278748  
1 1 1 7   39  22 o 13.076  3.3289  96.648     47.270   539.031    457.955  91.884     47.524   31.815  10.963  12.767  3.3826  19.04762       11.47292  
1 1 1 7   39  23 o 97.397  3.2428  5167.19    342.088  5257.08    702.467  5139.25    391.668  97.106  6.7203  97.044  3.7263  0.6224060E-01  7.684252  
1 1 1 7   39  24 o 132.740 3.3145  9613.12    476.527  9574.74    962.414  9625.58    548.480  130.762 6.8189  132.666 3.8171  -1.904282      7.814605  
1 1 1 7   39  25 o 62.189  3.8500  2127.58    258.053  2518.44    542.659  2013.37    293.343  66.227  7.7096  60.311  4.5236  5.915756       8.938703  
1 1 1 7   39  26 o 59.375  4.0543  1949.17    259.171  2202.60    541.922  1874.02    295.107  61.203  8.3964  57.996  4.7394  3.207260       9.641653  
1 1 1 7   39  27 o 62.070  2.7845  2106.06    187.198  2518.97    568.519  2055.85    198.254  65.190  8.2356  61.283  2.9868  3.906528       8.760511  
1 1 1 7   39  28 o 13.965  6.3541  -105.6538  210.780  191.399    467.916  -181.2769  236.090  24.766  10.376  13.919  6.4730  10.84737       12.22928  
1 1 1 7   39  29 o 50.123  4.7969  1434.07    257.237  1635.26    542.013  1375.58    292.247  49.256  10.482  48.606  5.6571  0.6500511      11.91075  
1 1 1 7   39  30 o 34.407  2.7660  658.429    102.207  0.0000     0.0000   658.429    102.207  ?       ?       34.407  2.7660  0.000000       2.765974  
1 1 1 7   39  31 o 47.568  9.7530  1616.20    485.621  0.0000     0.0000   1616.20    485.621  ?       ?       47.568  9.7530  0.000000       9.753036  
1 1 1 7   39  32 o 57.654  7.6079  2202.11    463.478  0.0000     0.0000   2202.11    463.478  ?       ?       57.654  7.6079  0.000000       7.607944  
1 1 1 7   39  33 o 32.649  11.051  950.626    465.002  0.0000     0.0000   950.626    465.002  ?       ?       32.649  11.051  0.000000       11.05103  
1 1 1 7   40  0  o 176.884 3.5755  16950.62   685.009  15967.03   968.298  17936.04   969.200  171.637 5.2087  181.921 4.9188  -10.28351      7.164145  
1 1 1 7   40  1  o 349.727 6.2586  66317.31   2370.70  68265.33   3353.56  64371.34   3351.80  354.622 8.7311  344.335 8.9873  10.28696       12.53010  
1 1 1 7   40  2  f 295.849 5.6691  47449.21   1816.59  48571.86   2789.31  46622.32   2393.88  299.126 8.6094  293.143 7.5397  5.983032       11.44415  
1 1 1 7   40  3  o 55.042  2.8000  1645.38    166.375  1466.05    234.547  1827.00    236.038  51.843  4.2135  57.946  3.7816  -6.102165      5.661643  
1 1 1 7   40  4  o 134.434 2.9489  9790.28    429.372  10090.26   607.365  9490.58    607.084  136.458 4.1094  132.338 4.2354  4.119583       5.901358  
1 1 1 7   40  5  o 486.943 8.0502  128737.60  4245.75  129245.00  6004.91  128230.30  6003.88  487.283 11.378  485.357 11.421  1.925964       16.12110  
1 1 1 7   40  6  o 446.271 8.5307  108192.50  4123.40  119020.50  7149.18  102794.90  5047.57  466.797 14.140  434.603 10.723  32.19397       17.74632  
1 1 1 7   40  7  o 105.468 2.7056  6026.03    309.073  6743.17    651.342  5817.62    351.121  111.510 5.3929  103.622 3.1285  7.888222       6.234655  
1 1 1 7   40  8  o 93.504  2.6896  4736.50    272.384  4539.34    578.837  4792.58    308.699  91.285  5.8858  94.051  3.0304  -2.766083      6.620149  
1 1 1 7   40  9  o 246.926 4.5244  33057.05   1210.05  33609.03   2431.76  32875.40   1395.02  248.562 9.0327  246.200 5.2314  2.361603       10.43826  
1 1 1 7   40  10 o 344.508 6.4039  64434.89   2389.53  61138.37   6615.31  64929.54   2562.54  332.087 18.465  345.767 6.8425  -13.67938      19.69193  
1 1 1 7   40  11 o 272.221 5.2199  40203.65   1539.04  38653.81   2881.98  40821.96   1820.34  266.285 9.9925  274.213 6.1291  -7.927826      11.72242  
1 1 1 7   40  12 o 116.416 2.9260  7343.99    368.944  7158.05    754.571  7402.41    422.948  114.655 6.0982  116.867 3.3414  -2.212563      6.953618  
1 1 1 7   40  13 o 166.569 3.9675  15043.81   715.778  15739.10   1249.61  14704.29   873.227  170.177 6.7796  164.627 4.8973  5.550171       8.363389  
1 1 1 7   40  14 o 254.897 4.6575  35250.50   1285.86  34236.79   2578.05  35586.20   1483.57  250.483 9.5026  256.034 5.3498  -5.550613      10.90505  
1 1 1 7   40  15 o 100.151 2.8625  5436.17    310.507  4661.06    639.095  5675.68    355.255  92.370  6.4281  102.324 3.2055  -9.953766      7.182975  
1 1 1 7   40  16 o 264.251 5.5295  37941.06   1582.61  35755.72   2740.84  39034.12   1938.41  255.600 9.9004  267.827 6.6822  -12.22758      11.94446  
1 1 1 7   40  17 o 91.648  3.4651  4555.82    343.963  4955.97    604.459  4364.20    418.290  95.267  5.8869  89.661  4.3073  5.606049       7.294377  
1 1 1 7   40  18 o 173.154 3.5919  16271.41   673.635  15823.28   1350.84  16419.73   777.163  170.184 7.3285  173.882 4.1265  -3.698608      8.410432  
1 1 1 7   40  19 o 121.542 3.1201  8017.10    410.743  7766.36    816.931  8101.92    475.172  119.064 6.3578  122.142 3.5918  -3.077438      7.302274  
1 1 1 7   40  20 o 104.209 3.0099  5896.36    339.718  5778.50    674.800  5936.37    393.178  102.570 6.1017  104.516 3.4732  -1.946396      7.020977  
1 1 1 7   40  21 o 134.612 3.3028  9854.14    481.552  9843.36    967.026  9857.70    555.300  133.683 6.6787  134.544 3.8106  -0.8611908     7.689334  
1 1 1 7   40  22 o 157.532 3.4058  13513.27   581.112  14769.98   1169.28  13101.06   669.668  163.464 6.6043  154.952 3.9902  8.511139       7.716102  
1 1 1 7   40  23 o 76.943  3.3772  3226.98    281.447  4115.73    594.255  2969.98    319.559  85.944  6.4305  73.609  4.0235  12.33546       7.585484  
1 1 1 7   40  24 o 49.541  4.3644  1356.61    231.792  1208.23    501.065  1397.01    261.448  44.745  10.517  50.155  4.8744  -5.410416      11.59139  
1 1 1 7   40  25 o 45.895  4.7230  1173.58    231.425  1044.39    498.576  1209.06    261.277  41.133  10.984  46.429  5.2901  -5.296127      12.19161  
1 1 1 7   40  26 f 63.519  3.8687  2226.27    264.889  2588.70    558.766  2121.21    300.842  66.673  7.8907  61.785  4.5271  4.887989       9.097125  
1 1 1 7   40  27 o 51.932  4.7328  1512.04    263.289  1675.38    532.441  1459.17    302.916  52.029  9.8080  50.662  5.6148  1.367310       11.30144  
1 1 1 7   40  28 o 12.070  3.6011  81.469     50.648   61.350     51.705   558.314    251.719  10.897  3.6851  30.242  7.6726  -19.34495      8.511652  
1 1 1 7   40  29 o 18.579  7.3229  148.059    216.879  868.815    491.307  -26.3821   241.704  34.889  11.347  15.993  7.0743  18.89583       13.37129  
1 1 1 7   40  30 o 37.144  8.4868  918.543    333.963  0.0000     0.0000   918.543    333.963  ?       ?       37.144  8.4868  0.000000       8.486793  
1 1 1 7   40  31 o 18.992  8.7516  -75.9861   416.983  0.0000     0.0000   -75.9861   416.983  ?       ?       18.992  8.7516  0.000000       8.751619  
1 1 1 7   40  32 o 18.063  8.5020  -153.8459  428.142  0.0000     0.0000   -153.8459  428.142  ?       ?       18.063  8.5020  0.000000       8.501989  
1 1 1 7   40  33 o 23.681  10.059  389.605    449.774  0.0000     0.0000   389.605    449.774  ?       ?       23.681  10.059  0.000000       10.05942  
1 1 1 7   41  0  o 196.922 3.6542  21009.70   779.390  20974.12   1102.69  21045.22   1101.76  196.712 5.1755  197.045 5.1624  -0.3335876     7.309996  
1 1 1 7   41  1  o 268.325 5.1404  39025.50   1493.94  39702.94   2286.53  38520.91   1973.38  270.488 7.8048  266.494 6.8368  3.993652       10.37574  
1 1 1 7   41  2  o 89.977  2.8624  4385.56    278.954  3740.34    393.699  5036.07    395.308  82.962  4.3971  96.409  3.7857  -13.44669      5.802253  
1 1 1 7   41  3  o 378.609 6.9367  77765.15   2844.53  79007.13   4393.34  76868.70   3732.52  381.167 10.642  376.174 9.1610  4.992737       14.04169  
1 1 1 7   41  4  o 375.004 6.9606  76301.23   2827.18  75608.31   4366.13  76801.52   3710.00  372.800 10.813  375.978 9.1105  -3.177887      14.13944  
1 1 1 7   41  5  o 524.255 8.7941  149326.00  4993.50  150498.91  7062.38  148153.50  7061.37  525.466 12.409  521.329 12.506  4.136780       17.61745  
1 1 1 7   41  6  o 473.987 9.2808  122143.30  4764.55  122840.20  8257.77  121795.50  5833.47  473.485 16.102  472.845 11.390  0.6400757      19.72366  
1 1 1 7   41  7  o 363.559 6.3947  71722.49   2518.04  66378.67   5044.05  73496.28   2906.06  348.588 13.360  367.917 7.2926  -19.32898      15.22050  
1 1 1 7   41  8  o 235.582 4.4181  30086.38   1127.32  28618.29   2265.88  30569.30   1299.58  229.380 9.1203  237.428 5.0536  -8.047623      10.42683  
1 1 1 7   41  9  o 401.289 6.8733  87444.91   2987.38  83271.76   5981.77  88831.62   3448.19  389.882 14.165  404.287 7.8746  -14.40448      16.20698  
1 1 1 7   41  10 o 123.171 2.8904  8220.16    385.599  8934.90    796.775  8001.57    440.637  128.316 5.7331  121.511 3.3481  6.804642       6.639091  
1 1 1 7   41  11 o 71.508  2.6607  2770.48    206.072  3137.73    452.918  2674.61    231.413  75.837  5.5526  70.255  3.0412  5.582443       6.330914  
1 1 1 7   41  12 o 161.047 3.4028  14057.58   593.552  12389.78   1198.29  14599.82   683.261  150.961 7.3287  164.104 3.8441  -13.14342      8.275687  
1 1 1 7   41  13 o 509.223 8.6297  141252.80  4759.63  129009.00  9523.57  145329.09  5495.12  481.799 18.250  516.071 9.8310  -34.27151      20.72949  
1 1 1 7   41  14 o 269.956 4.8314  39546.36   1412.67  41486.59   2833.59  38904.63   1629.63  275.703 9.4891  267.661 5.6213  8.042053       11.02913  
1 1 1 7   41  15 o 248.809 4.8879  33604.93   1317.22  32159.58   2473.76  34176.91   1556.19  242.620 9.4137  250.806 5.7287  -8.185913      11.01980  
1 1 1 7   41  16 o 80.340  3.4682  3500.18    301.788  3293.17    518.235  3606.40    371.226  77.565  6.2210  81.414  4.2244  -3.848885      7.519715  
1 1 1 7   41  17 o 77.285  3.4365  3239.94    287.666  3065.24    510.573  3321.19    348.191  74.759  6.3662  78.112  4.1303  -3.352364      7.588617  
1 1 1 7   41  18 o 33.942  1.8245  626.075    66.827   697.525    360.474  623.532    68.006   35.013  9.3350  33.871  1.8609  1.142879       9.518628  
1 1 1 7   41  19 o 194.530 3.8318  20563.30   807.346  21292.86   1615.07  20320.27   932.169  196.980 7.5701  193.262 4.4533  3.718521       8.782792  
1 1 1 7   41  20 o 110.578 3.0458  6640.80    364.788  6111.82    728.837  6817.61    421.364  105.380 6.4162  111.993 3.4737  -6.613068      7.296188  
1 1 1 7   41  21 o 39.074  4.7280  846.059    196.025  1103.24    436.036  780.916    219.452  43.565  9.5080  37.343  5.5983  6.221508       11.03368  
1 1 1 7   41  22 o 103.993 2.9910  5882.20    336.891  6105.04    718.299  5819.36    381.447  104.969 6.3478  103.369 3.4070  1.599243       7.204314  
1 1 1 7   41  23 o 18.002  1.5478  177.044    29.886   -148.9824  413.430  178.757    29.964   20.302  9.0985  18.090  1.5441  2.212160       9.228567  
1 1 1 7   41  24 o 65.242  3.6944  2334.69    259.988  2358.82    553.304  2327.85    294.527  64.061  8.1597  65.025  4.2044  -0.9645386     9.179219  
1 1 1 7   41  25 o 81.314  3.4275  3617.18    301.865  3529.17    625.216  3643.93    344.704  78.567  7.4356  81.492  3.9054  -2.925194      8.398856  
1 1 1 7   41  26 o 40.312  2.3178  887.905    100.774  785.397    501.261  892.222    102.874  35.554  11.452  40.404  2.3610  -4.850239      11.69269  
1 1 1 7   41  27 o 30.922  6.4141  562.060    207.778  340.911    485.305  611.696    229.917  27.432  10.909  32.152  6.8139  -4.719885      12.86219  
1 1 1 7   41  28 o 47.744  4.7415  1288.63    241.945  1691.27    527.342  1181.27    272.295  51.632  9.7880  45.286  5.6761  6.345989       11.31478  
1 1 1 7   41  29 f 47.415  5.0344  1297.68    254.588  1150.31    537.379  1340.33    289.090  39.481  11.719  47.794  5.6968  -8.313583      13.03000  
1 1 1 7   41  30 o 32.927  10.446  800.114    418.315  0.0000     0.0000   800.114    418.315  ?       ?       32.927  10.446  0.000000       10.44642  
1 1 1 7   41  31 o 28.012  10.193  584.773    400.527  0.0000     0.0000   584.773    400.527  ?       ?       28.012  10.193  0.000000       10.19260  
1 1 1 7   41  32 o 32.579  10.460  868.609    418.439  0.0000     0.0000   868.609    418.439  ?       ?       32.579  10.460  0.000000       10.45986  
1 1 1 7   41  33 o 23.734  10.037  394.717    444.494  0.0000     0.0000   394.717    444.494  ?       ?       23.734  10.037  0.000000       10.03661  
1 1 1 7   42  0  o 471.645 8.6240  120786.20  4405.50  120515.50  6828.63  120979.20  5765.94  470.239 13.407  471.579 11.289  -1.339722      17.52696  
1 1 1 7   42  1  o 169.618 3.4101  15587.09   626.484  15804.01   886.850  15371.02   885.117  170.759 4.7951  168.402 4.8527  2.357101       6.822145  
1 1 1 7   42  2  o 358.752 6.2306  69800.69   2420.99  69848.51   3423.99  69752.88   3423.61  358.615 8.8152  358.369 8.8203  0.2461548      12.47022  
1 1 1 7   42  3  o 186.963 3.6690  18940.10   742.969  19295.07   1051.15  18585.71   1050.29  188.659 5.1442  185.155 5.2372  3.503906       7.341060  
1 1 1 7   42  4  o 226.824 4.2611  27883.48   1046.83  27600.44   1480.51  28166.47   1480.39  225.583 6.0595  227.888 5.9977  -2.304932      8.525810  
1 1 1 7   42  5  o 736.761 14.080  296558.09  11235.85 297280.91  13760.27 295112.19  19463.28 736.042 17.261  728.397 24.670  7.644348       30.10911  
1 1 1 7   42  6  o 373.369 6.3929  75641.09   2585.27  75075.67   3656.82  76206.08   3655.41  371.604 9.0856  374.403 9.0142  -2.798553      12.79858  
1 1 1 7   42  7  o 243.530 4.3930  32149.15   1158.73  33863.69   2331.11  31586.49   1335.40  249.592 8.6231  241.348 5.1085  8.243881       10.02269  
1 1 1 7   42  8  o 251.949 4.5809  34416.33   1250.07  34728.00   2512.11  34313.75   1441.17  252.651 9.1801  251.525 5.2901  1.125870       10.59523  
1 1 1 7   42  9  o 332.230 6.1892  59911.51   2227.11  51989.43   6141.19  61111.16   2389.79  306.160 18.608  335.490 6.5767  -29.33023      19.73598  
1 1 1 7   42  10 o 143.333 3.0747  11132.66   477.336  12180.02   976.150  10803.51   547.225  149.796 6.0166  141.183 3.5786  8.612137       7.000371  
1 1 1 7   42  11 o 85.023  2.6755  3916.75    246.378  3482.38    526.209  4038.71    278.830  79.853  6.1309  86.331  2.9820  -6.478676      6.817667  
1 1 1 7   42  12 o 318.226 5.5905  54969.36   1926.88  54912.65   3861.21  54988.17   2223.54  316.942 11.248  318.158 6.4526  -1.215698      12.96735  
1 1 1 7   42  13 o 387.926 6.5546  81776.86   2754.00  85333.43   5515.19  80595.45   3178.66  394.328 12.913  384.880 7.6251  9.447144       14.99644  
1 1 1 7   42  14 o 438.202 7.4568  104509.60  3539.13  103757.60  7086.43  104759.40  4085.07  433.293 15.100  438.365 8.6039  -5.071320      17.37915  
1 1 1 7   42  15 o 318.308 5.5573  55043.00   1915.95  54396.09   3837.02  55257.87   2211.37  314.903 11.250  318.764 6.4050  -3.860992      12.94540  
1 1 1 7   42  16 o 130.030 3.6159  9170.73    509.254  8448.79    881.177  9532.78    624.016  124.414 6.5624  132.526 4.3474  -8.111473      7.871736  
1 1 1 7   42  17 o 103.593 3.4151  5821.51    383.176  5633.53    667.827  5913.77    467.846  101.539 6.1007  104.369 4.1387  -2.830490      7.372067  
1 1 1 7   42  18 o 124.402 3.1049  8395.99    418.348  9106.62    841.301  8162.55    482.190  129.241 6.0101  122.619 3.6307  6.621605       7.021606  
1 1 1 7   42  19 o 73.494  3.0300  2931.79    241.195  2567.03    489.113  3048.99    277.249  68.152  6.7133  74.926  3.4164  -6.774132      7.532612  
1 1 1 7   42  20 o 187.649 3.7481  19156.82   761.767  20658.22   1543.80  18673.60   875.815  193.602 7.3622  185.116 4.3682  8.486816       8.560564  
1 1 1 7   42  21 o 24.950  1.1267  337.307    30.447   61.952     398.198  338.926    30.536   22.741  9.5516  25.010  1.1273  -2.269447      9.617924  
1 1 1 7   42  22 o 46.291  4.2527  1180.54    210.838  518.364    451.319  1365.40    238.458  31.278  10.877  49.769  4.4714  -18.49083      11.76038  
1 1 1 7   42  23 o 26.334  6.6432  400.482    189.464  625.937    410.103  339.304    213.628  32.892  10.332  24.491  7.4159  8.401003       12.71812  
1 1 1 7   42  24 o 26.874  6.8665  419.721    200.603  468.338    445.447  407.353    224.675  29.884  10.768  26.510  7.4925  3.374498       13.11814  
1 1 1 7   42  25 o 100.524 3.2185  5522.85    350.424  5618.58    727.828  5493.96    399.815  99.634  6.7850  100.118 3.6871  -0.4840240     7.722041  
1 1 1 7   42  26 o 58.584  4.0482  1899.97    255.292  2476.73    543.731  1736.87    289.144  65.114  7.8693  55.740  4.8373  9.374275       9.237209  
1 1 1 7   42  27 f 37.781  5.6475  819.349    224.008  184.685    499.238  979.337    250.657  25.465  10.695  41.326  5.7563  -15.86041      12.14612  
1 1 1 7   42  28 o 26.192  1.8638  375.466    52.528   -75.8811   491.282  380.685    52.831   21.887  9.8546  26.375  1.8614  -4.487566      10.02880  
1 1 1 7   42  29 o 30.964  7.6055  609.221    253.217  59.164     516.886  782.916    290.459  22.856  10.213  35.050  7.8466  -12.19452      12.87932  
1 1 1 7   42  30 o 55.833  7.5194  1973.76    443.159  0.0000     0.0000   1973.76    443.159  ?       ?       55.833  7.5194  0.000000       7.519382  
1 1 1 7   42  31 f 27.224  10.303  549.866    416.674  0.0000     0.0000   549.866    416.674  ?       ?       27.224  10.303  0.000000       10.30255  
1 1 1 7   42  32 o 16.575  7.9739  -322.7791  420.772  0.0000     0.0000   -322.7791  420.772  ?       ?       16.575  7.9739  0.000000       7.973923  
1 1 1 7   43  0  o 273.506 4.9652  40549.32   1470.88  38719.16   2080.17  42379.38   2080.11  267.125 7.1897  279.490 6.8715  -12.36472      9.945343  
1 1 1 7   43  1  o 191.060 3.9140  19780.54   809.949  19286.67   1146.00  20273.46   1144.89  188.601 5.6101  193.371 5.4664  -4.770584      7.832909  
1 1 1 7   43  2  o 133.488 2.9790  9653.39    430.711  9722.86    608.636  9583.70    609.598  133.944 4.1953  132.981 4.2324  0.9628448      5.959322  
1 1 1 7   43  3  o 64.680  2.2019  2266.08    154.255  2116.00    192.004  2539.28    259.058  62.498  2.8365  68.368  3.5103  -5.870087      4.513042  
1 1 1 7   43  4  o 298.308 5.2238  48249.54   1687.81  47643.39   2387.03  48855.59   2386.83  296.245 7.4394  300.000 7.3457  -3.754211      10.45480  
1 1 1 7   43  5  o 240.418 4.6292  31333.28   1205.43  30335.93   1705.23  32329.47   1704.23  236.434 6.6589  244.095 6.4461  -7.660889      9.267870  
1 1 1 7   43  6  o 298.144 5.6760  48214.82   1832.89  46985.15   2815.87  49118.84   2414.40  293.985 8.8434  300.758 7.4118  -6.772949      11.53861  
1 1 1 7   43  7  o 97.196  3.0883  5118.65    325.115  4698.79    538.150  5359.96    407.984  92.923  5.3699  99.448  3.7877  -6.525230      6.571322  
1 1 1 7   43  8  o 128.002 2.9273  8877.43    405.834  9942.30    839.257  8552.44    463.646  135.368 5.7241  125.626 3.4075  9.741806       6.661574  
1 1 1 7   43  9  o 165.803 3.3397  14897.76   599.746  16326.01   1217.95  14440.58   689.080  173.405 6.4848  163.219 3.8979  10.18587       7.566162  
1 1 1 7   43  10 o 384.889 6.9732  80483.02   2906.97  85507.84   5401.71  78434.46   3449.01  395.287 12.617  379.688 8.3868  15.59863       15.14997  
1 1 1 7   43  11 o 176.516 3.7665  16890.59   720.096  16132.59   1384.89  17171.46   843.019  172.262 7.4226  177.947 4.3740  -5.684982      8.615470  
1 1 1 7   43  12 o 192.870 3.7712  20166.89   787.803  21045.93   1587.51  19879.69   907.419  196.721 7.4507  191.456 4.3759  5.264526       8.640702  
1 1 1 7   43  13 o 220.880 4.1728  26459.30   998.284  25557.22   2004.71  26756.75   1151.17  216.584 8.5458  222.067 4.7861  -5.483322      9.794802  
1 1 1 7   43  14 o 289.619 5.4453  45550.52   1708.13  48258.71   3193.92  44465.62   2021.52  297.156 9.9236  285.978 6.5264  11.17853       11.87737  
1 1 1 7   43  15 o 102.317 2.9079  5674.40    322.251  5021.78    664.791  5874.85    368.431  95.875  6.4393  104.096 3.2678  -8.221550      7.220981  
1 1 1 7   43  16 o 156.814 3.9100  13342.65   664.103  12436.42   1150.46  13795.52   813.284  151.073 7.0310  159.385 4.7111  -8.311264      8.463403  
1 1 1 7   43  17 o 121.393 3.5458  7995.97    466.213  7998.69    802.367  7994.58    572.834  121.027 6.1411  121.323 4.3593  -0.2958984     7.531049  
1 1 1 7   43  18 o 200.444 4.1020  21831.82   890.550  20882.59   1684.93  22199.78   1049.05  195.128 7.9725  202.001 4.7948  -6.873611      9.303257  
1 1 1 7   43  19 o 74.996  2.9953  3053.08    243.301  3266.34    497.214  2985.94    278.983  77.072  6.0037  74.137  3.4744  2.934837       6.936543  
1 1 1 7   43  20 o 155.898 3.3843  13214.25   571.451  15002.72   1166.08  12648.97   655.569  165.232 6.5157  152.414 3.9712  12.81801       7.630555  
1 1 1 7   43  21 o 117.357 3.1167  7490.06    396.164  7440.36    810.104  7505.68    454.178  115.990 6.4742  117.402 3.5718  -1.411385      7.394087  
1 1 1 7   43  22 o 22.841  2.3499  286.312    57.305   508.463    414.235  281.977    57.862   30.656  10.430  22.660  2.3938  7.996796       10.70126  
1 1 1 7   43  23 f 56.292  2.3048  1721.89    140.524  1691.51    475.579  1724.80    147.091  54.140  8.3811  56.331  2.4109  -2.190819      8.720931  
1 1 1 7   43  24 o 49.822  2.1170  1348.78    114.241  1375.21    484.407  1347.22    117.557  48.024  9.6478  49.788  2.1800  -1.764484      9.890998  
1 1 1 7   43  25 o 50.216  2.3263  1372.46    126.526  1228.18    523.834  1381.40    130.387  44.417  10.957  50.373  2.3898  -5.955540      11.21423  
1 1 1 7   43  26 o 72.922  2.7578  2904.13    217.820  3493.37    602.828  2815.64    233.602  77.803  7.2365  71.746  3.0062  6.057861       7.836113  
1 1 1 7   43  27 f 18.050  7.1615  116.829    208.707  -46.5544   471.780  156.584    232.717  22.157  9.8380  19.566  7.6226  2.590691       12.44552  
1 1 1 7   43  28 o 17.408  7.1220  90.121     213.449  11.866     477.581  109.654    238.607  22.435  9.9330  18.488  7.5431  3.947424       12.47251  
1 1 1 7   43  29 o 49.548  4.8170  1416.12    255.243  1908.70    546.508  1278.70    288.660  52.979  9.8878  46.389  5.8769  6.589710       11.50249  
1 1 1 7   43  30 o 20.595  9.0149  99.505     383.070  0.0000     0.0000   99.505     383.070  ?       ?       20.595  9.0149  0.000000       9.014856  
1 1 1 7   43  31 o 44.115  8.7359  1346.19    402.647  0.0000     0.0000   1346.19    402.647  ?       ?       44.115  8.7359  0.000000       8.735930  
1 1 1 7   43  32 o 23.295  9.6271  359.856    395.043  0.0000     0.0000   359.856    395.043  ?       ?       23.295  9.6271  0.000000       9.627063  
1 1 1 7   44  0  o 304.808 5.4183  50374.87   1788.80  50660.43   2530.39  50089.60   2529.10  305.489 7.6475  303.759 7.6872  1.729736       10.84330  
1 1 1 7   44  1  o 325.421 6.0773  57437.52   2142.02  57743.42   3298.31  57214.39   2816.88  325.946 9.3428  324.605 8.0120  1.341400       12.30773  
1 1 1 7   44  2  o 432.583 7.3395  101572.90  3438.81  100529.60  4863.59  102615.90  4862.85  429.849 10.446  434.308 10.338  -4.458191      14.69683  
1 1 1 7   44  3  o 340.428 5.8363  62855.93   2151.96  65115.81   3044.00  60598.04   3042.67  346.250 8.1168  333.987 8.4111  12.26331       11.68887  
1 1 1 7   44  4  o 175.685 3.4822  16724.41   662.608  17000.34   937.183  16448.62   936.957  177.080 4.8864  174.180 4.9665  2.900284       6.967265  
1 1 1 7   44  5  o 308.832 5.4439  51725.89   1820.96  51941.15   2575.05  51510.58   2575.41  309.254 7.6878  307.965 7.7210  1.288269       10.89569  
1 1 1 7   44  6  o 244.697 4.5935  32461.26   1217.41  31835.81   1722.79  33085.11   1720.58  242.192 6.5675  246.909 6.4338  -4.717239      9.193816  
1 1 1 7   44  7  o 189.403 4.2732  19446.93   876.614  19716.57   1531.37  19315.50   1069.11  190.519 7.4212  188.715 5.2305  1.803925       9.079218  
1 1 1 7   44  8  o 333.438 5.8090  60330.67   2097.90  61556.84   4205.79  59924.53   2420.53  335.819 11.563  332.201 6.7273  3.617950       13.37761  
1 1 1 7   44  9  o 102.493 2.8103  5691.75    311.978  5455.04    653.172  5761.72    355.102  100.066 6.0551  103.114 3.1796  -3.047951      6.839139  
1 1 1 7   44  10 o 188.569 3.7633  19275.10   768.610  16387.77   1549.45  20217.46   885.197  173.558 8.2426  193.099 4.2324  -19.54117      9.265722  
1 1 1 7   44  11 o 187.956 3.7174  19150.82   756.768  19145.58   1528.17  19152.53   871.078  187.641 7.5193  187.934 4.2794  -0.2932129     8.651734  
1 1 1 7   44  12 o 185.510 3.6640  18656.32   736.201  19213.88   1486.20  18475.03   847.486  187.972 7.2998  184.574 4.2393  3.397827       8.441522  
1 1 1 7   44  13 o 100.103 2.7295  5430.18    295.934  6246.83    635.774  5204.30    334.364  107.123 5.4981  97.989  3.1505  9.134209       6.336782  
1 1 1 7   44  14 o 204.741 3.9366  22735.58   872.960  23257.97   1755.26  22563.91   1006.23  206.618 7.8433  203.915 4.5559  2.703674       9.070537  
1 1 1 7   44  15 o 30.027  4.5752  500.534    144.092  383.136    330.312  528.125    160.132  27.487  9.3140  30.800  4.9693  -3.312437      10.55672  
1 1 1 7   44  16 o 86.996  3.3971  4104.89    320.098  3952.88    554.488  4180.86    392.017  85.018  6.0613  87.766  4.1239  -2.748672      7.331158  
1 1 1 7   44  17 o 109.967 3.4584  6561.78    411.914  6303.56    715.241  6689.92    503.862  107.377 6.1760  110.985 4.1916  -3.608025      7.464064  
1 1 1 7   44  18 o 115.444 3.0258  7231.69    378.334  7792.49    753.115  7042.39    437.553  119.519 5.8177  113.881 3.5474  5.638229       6.813952  
1 1 1 7   44  19 o 104.283 2.9631  5903.96    334.681  6070.83    678.438  5850.29    384.757  105.184 5.9798  103.765 3.4234  1.418198       6.890462  
1 1 1 7   44  20 o 122.684 3.1844  8181.47    423.141  8331.11    862.239  8134.00    485.641  122.917 6.4997  122.254 3.6676  0.6632996      7.463071  
1 1 1 7   44  21 o 68.992  2.4789  2584.91    185.234  2266.84    521.415  2630.85    198.160  63.410  7.7535  69.591  2.6290  -6.180527      8.187098  
1 1 1 7   44  22 o 61.449  3.4989  2064.94    231.911  2528.19    496.267  1935.52    262.315  67.135  6.9243  59.376  4.1041  7.758900       8.049188  
1 1 1 7   44  23 o 24.184  6.8090  335.475    185.920  80.164     416.382  399.053    207.783  23.186  9.7545  26.273  7.1229  -3.086908      12.07831  
1 1 1 7   44  24 o 65.438  3.5345  2348.30    249.587  2261.00    519.826  2374.46    284.530  62.718  7.8224  65.684  4.0188  -2.965645      8.794347  
1 1 1 7   44  25 o 50.548  4.4182  1419.54    239.460  1382.21    498.861  1430.71    272.963  47.583  9.9974  50.554  5.0528  -2.971489      11.20178  
1 1 1 7   44  26 o 35.247  6.3025  721.663    231.776  675.475    502.713  734.131    261.193  33.314  11.486  35.274  7.0827  -1.959682      13.49398  
1 1 1 7   44  27 o 45.661  4.8219  1175.93    234.863  1239.46    523.536  1159.93    262.791  43.601  11.067  45.083  5.4955  -1.482002      12.35634  
1 1 1 7   44  28 o ?       ?       -228.2312  32.090   -22.6071   477.573  -229.1638  32.162   21.936  9.8084  ?       ?       0.000000       9.808408  
1 1 1 7   44  29 o 52.354  5.6012  1615.68    312.690  0.0000     0.0000   1615.68    312.690  ?       ?       52.354  5.6012  0.000000       5.601204  
1 1 1 7   44  30 o 26.122  9.9127  458.685    386.397  0.0000     0.0000   458.685    386.397  ?       ?       26.122  9.9127  0.000000       9.912674  
1 1 1 7   44  31 o 19.835  8.8691  67.119     390.471  0.0000     0.0000   67.119     390.471  ?       ?       19.835  8.8691  0.000000       8.869064  
1 1 1 7   44  32 o 20.187  9.0592  108.832    411.324  0.0000     0.0000   108.832    411.324  ?       ?       20.187  9.0592  0.000000       9.059163  
1 1 1 7   45  0  o 250.854 4.7458  34111.93   1289.44  35484.38   1709.07  32298.34   1964.62  255.765 6.1695  243.921 7.4363  11.84317       9.662387  
1 1 1 7   45  1  o 88.856  2.6279  4277.04    252.906  4658.21    358.512  3899.46    356.820  92.719  3.5700  84.828  3.8837  7.890999       5.275180  
1 1 1 7   45  2  o 241.029 4.7704  31493.80   1245.36  31127.39   1897.02  31771.31   1650.92  239.458 7.3143  241.997 6.2986  -2.539200      9.652528  
1 1 1 7   45  3  o 108.095 2.7478  6329.94    321.711  6402.70    450.301  6254.09    459.784  108.696 3.8249  107.425 3.9517  1.271240       5.499574  
1 1 1 7   45  4  f 405.832 7.0526  89406.82   3100.02  88268.83   4384.24  90544.66   4383.94  402.746 10.051  407.930 9.9222  -5.183929      14.12323  
1 1 1 7   45  5  o 511.700 8.5326  142317.91  4729.00  148403.80  6688.59  136234.80  6687.04  521.646 11.838  499.644 12.357  22.00131       17.11237  
1 1 1 7   45  6  o 102.768 2.6725  5721.62    297.466  5714.26    424.140  5728.74    417.305  102.681 3.8137  102.812 3.7475  -0.1314545     5.346769  
1 1 1 7   45  7  o 320.254 6.3975  55673.71   2219.10  58713.78   3852.16  54163.78   2714.82  328.163 10.838  315.681 7.9400  12.48111       13.43518  
1 1 1 7   45  8  o 123.240 2.8402  8229.12    379.109  9697.71    787.992  7786.81    432.446  133.698 5.4416  119.871 3.3308  13.82697       6.380075  
1 1 1 7   45  9  o 162.168 3.3072  14252.16   580.888  14804.56   1179.85  14075.42   667.378  165.107 6.5977  161.140 3.8238  3.966217       7.625681  
1 1 1 7   45  10 o 140.301 3.0621  10667.01   465.321  11073.45   951.729  10539.34   533.425  142.809 6.1530  139.444 3.5319  3.364731       7.094626  
1 1 1 7   45  11 o 133.000 3.0080  9585.89    433.308  10978.04   892.031  9155.95    495.721  142.202 5.7917  129.967 3.5216  12.23468       6.778277  
1 1 1 7   45  12 o 130.203 3.0330  9187.58    427.723  9144.80    875.501  9200.99    490.206  129.747 6.2300  130.283 3.4739  -0.5365753     7.133123  
1 1 1 7   45  13 o 109.911 2.8828  6546.96    343.176  7002.52    708.497  6407.32    392.263  113.397 5.7878  108.719 3.3312  4.678101       6.678020  
1 1 1 7   45  14 o 286.366 5.1153  44526.14   1586.57  44947.80   3181.32  44386.54   1830.45  286.597 10.249  285.792 5.9134  0.8053894      11.83227  
1 1 1 7   45  15 o 332.591 5.8199  60139.99   2096.52  58595.99   4198.38  60652.92   2419.83  326.280 11.880  333.796 6.6932  -7.516388      13.63586  
1 1 1 7   45  16 o 116.252 3.4959  7331.23    440.175  7044.71    763.883  7473.65    538.582  113.579 6.2334  117.328 4.2382  -3.749672      7.537700  
1 1 1 7   45  17 o 160.104 3.9569  13920.02   686.158  13846.18   1191.21  13956.69   839.401  159.232 6.9070  160.206 4.8375  -0.9743042     8.432551  
1 1 1 7   45  18 o 19.423  1.7232  206.044    35.873   596.312    298.815  200.337    36.135   32.328  8.4424  19.146  1.7623  13.18175       8.624374  
1 1 1 7   45  19 f 136.717 3.2132  10154.00   475.806  10739.70   985.274  9975.87    543.365  139.933 6.5008  135.443 3.7039  4.489868       7.481953  
1 1 1 7   45  20 o 101.308 3.0283  5577.73    332.290  5369.84    693.604  5639.66    378.560  98.563  6.5343  101.817 3.4328  -3.254303      7.381103  
1 1 1 7   45  21 o 59.001  3.5352  1902.87    224.871  1980.76    492.063  1882.31    252.815  59.156  7.8756  58.603  4.0071  0.5527000      8.836366  
1 1 1 7   45  22 o 82.266  2.6812  3679.80    238.902  3562.67    586.189  3703.14    261.615  79.795  6.8489  82.494  2.9280  -2.699112      7.448543  
1 1 1 7   45  23 o 87.696  2.8211  4187.04    267.956  3955.98    620.385  4240.04    297.097  83.893  6.8884  88.199  3.1100  -4.306267      7.557899  
1 1 1 7   45  24 o 55.340  2.2256  1665.18    133.403  1330.98    476.673  1693.58    138.956  47.108  9.6664  55.803  2.2991  -8.694893      9.936061  
1 1 1 7   45  25 o 94.316  2.9253  4857.62    298.828  3998.19    666.771  5073.63    334.279  83.409  7.4594  96.310  3.2045  -12.90154      8.118607  
1 1 1 7   45  26 o 116.318 3.1558  7412.23    397.585  8057.30    835.285  7223.26    452.082  118.921 6.5097  114.607 3.6420  4.313118       7.459198  
1 1 1 7   45  27 o 15.023  6.5653  -20.6937   202.474  -296.9571  478.428  39.582     223.473  19.791  9.2073  16.838  7.1183  2.952259       11.63810  
1 1 1 7   45  28 o 52.243  4.4088  1543.32    247.135  2079.55    543.466  1403.52    277.486  57.186  9.0775  49.361  5.2718  7.825855       10.49730  
1 1 1 7   45  29 o 64.490  5.0312  2411.43    348.647  0.0000     0.0000   2411.43    348.647  ?       ?       64.490  5.0312  0.000000       5.031195  
1 1 1 7   45  30 o 43.581  9.0235  1301.44    411.913  0.0000     0.0000   1301.44    411.913  ?       ?       43.581  9.0235  0.000000       9.023483  
1 1 1 7   45  31 f 29.844  10.268  697.852    401.689  0.0000     0.0000   697.852    401.689  ?       ?       29.844  10.268  0.000000       10.26832  
1 1 1 7   45  32 o 22.099  9.5300  261.990    415.039  0.0000     0.0000   261.990    415.039  ?       ?       22.099  9.5300  0.000000       9.530036  
1 1 1 7   46  0  o 241.990 4.5558  31742.62   1194.06  32039.73   1689.48  31446.09   1687.84  243.007 6.4190  240.741 6.4731  2.265564       9.116124  
1 1 1 7   46  1  o 270.509 5.0738  39674.85   1486.58  39031.08   2103.02  40317.78   2101.66  268.141 7.2412  272.536 7.1198  -4.394775      10.15512  
1 1 1 7   46  2  o 217.713 4.2271  25690.41   996.764  25068.87   1409.72  26311.80   1409.55  214.969 6.0546  220.242 5.9090  -5.273651      8.460165  
1 1 1 7   46  3  o 151.733 3.3633  12474.87   552.733  12232.57   781.783  12717.04   781.582  150.209 4.8053  153.158 4.7116  -2.948914      6.729749  
1 1 1 7   46  4  o 193.257 3.6077  20239.19   755.151  20396.48   1068.37  20082.15   1067.52  193.944 5.0860  192.442 5.1216  1.501999       7.217888  
1 1 1 7   46  5  o 312.556 5.4053  52986.50   1829.88  55103.71   2588.57  50871.68   2587.10  318.512 7.5035  306.000 7.8059  12.51266       10.82748  
1 1 1 7   46  6  o 271.327 4.8781  39921.47   1433.54  40065.53   2028.42  39777.72   2026.25  271.635 6.8945  270.656 6.9120  0.9792175      9.762704  
1 1 1 7   46  7  o 372.145 6.2572  75174.09   2522.11  79495.78   3568.65  70861.32   3564.96  382.296 8.6185  360.843 9.1215  21.45303       12.54915  
1 1 1 7   46  8  o 82.240  2.6808  3664.43    238.794  3960.32    522.518  3586.31    268.469  85.239  5.6924  81.354  3.0468  3.885712       6.456516  
1 1 1 7   46  9  f 78.814  2.7374  3365.62    233.678  3161.22    507.816  3420.53    263.200  76.052  6.2193  79.450  3.0586  -3.397141      6.930688  
1 1 1 7   46  10 o 172.637 3.3690  16153.17   629.951  16426.98   1276.66  16065.04   724.263  173.881 6.7788  172.143 3.8845  1.738464       7.812907  
1 1 1 7   46  11 o 157.007 3.3366  13361.20   567.404  13535.62   1153.84  13305.57   651.638  157.824 6.7500  156.659 3.8404  1.165207       7.766013  
1 1 1 7   46  12 o 95.692  2.7679  4962.07    286.879  5449.08    605.583  4821.15    325.749  100.023 5.6126  94.313  3.1889  5.709679       6.455222  
1 1 1 7   46  13 f 255.724 4.6149  35484.61   1278.21  37066.61   2566.73  34962.90   1473.98  260.624 9.0928  253.750 5.3631  6.874146       10.55657  
1 1 1 7   46  14 o 334.384 5.8313  60764.09   2111.95  57734.84   4230.09  61769.90   2437.47  324.101 12.050  336.957 6.6788  -12.85611      13.77738  
1 1 1 7   46  15 o 34.620  1.4403  649.248    54.008   354.904    336.347  657.038    54.718   26.943  9.3889  34.827  1.4506  -7.884249      9.500311  
1 1 1 7   46  16 o 85.564  3.0213  3970.17    279.994  4005.58    546.785  3957.58    325.976  85.577  5.9359  85.407  3.5239  0.1693420      6.903068  
1 1 1 7   46  17 o 48.334  2.2488  1266.40    117.727  1143.26    368.629  1280.39    124.232  45.055  7.8387  48.598  2.3602  -3.543324      8.186286  
1 1 1 7   46  18 o 102.976 2.9555  5754.92    329.637  5230.41    651.305  5935.54    382.203  97.627  6.1915  104.545 3.3754  -6.918312      7.051831  
1 1 1 7   46  19 o 42.569  4.1464  995.964    188.750  949.343    464.716  1005.17    206.554  40.414  10.516  42.706  4.5349  -2.291771      11.45190  
1 1 1 7   46  20 o 103.722 3.0448  5847.92    342.055  6310.71    715.741  5710.94    389.402  106.950 6.2055  102.437 3.5097  4.513100       7.129220  
1 1 1 7   46  21 o 74.400  2.6003  3007.38    209.536  2797.77    550.887  3042.83    226.565  70.630  7.3068  74.818  2.7959  -4.188217      7.823485  
1 1 1 7   46  22 o 69.060  3.2218  2598.57    240.988  3116.91    531.379  2464.35    270.394  74.632  6.6432  67.081  3.7364  7.550140       7.621847  
1 1 1 7   46  23 f 63.067  3.6389  2180.71    247.510  2609.03    512.561  2050.46    282.648  67.919  7.0713  60.997  4.3059  6.921703       8.279119  
1 1 1 7   46  24 o 80.027  3.2542  3498.92    282.068  3628.93    585.189  3459.56    321.935  80.067  6.8127  79.464  3.7405  0.6032104      7.772045  
1 1 1 7   46  25 o 55.178  3.9769  1683.19    236.079  1798.06    495.772  1649.51    268.471  55.115  8.5846  54.435  4.5965  0.6802216      9.737725  
1 1 1 7   46  26 o 45.957  4.5624  1182.56    224.093  991.209    468.925  1239.19    255.109  39.459  10.702  46.864  5.1086  -7.405193      11.85844  
1 1 1 7   46  27 o 93.380  3.3130  4798.18    335.078  5089.04    690.474  4708.58    383.229  93.566  6.8611  92.256  3.8352  1.310066       7.860307  
1 1 1 7   46  28 o 43.065  2.7766  1024.28    128.820  1982.17    517.448  960.991    133.008  55.798  8.8580  41.650  2.9679  14.14855       9.341990  
1 1 1 7   46  29 o 24.163  9.4383  339.551    357.494  0.0000     0.0000   339.551    357.494  ?       ?       24.163  9.4383  0.000000       9.438268  
1 1 1 7   46  30 o 16.219  7.7007  -273.8797  365.818  0.0000     0.0000   -273.8797  365.818  ?       ?       16.219  7.7007  0.000000       7.700665  
1 1 1 7   46  31 o 29.873  9.8817  686.248    372.053  0.0000     0.0000   686.248    372.053  ?       ?       29.873  9.8817  0.000000       9.881729  
1 1 1 7   46  32 o 25.745  10.075  510.170    407.966  0.0000     0.0000   510.170    407.966  ?       ?       25.745  10.075  0.000000       10.07518  
1 1 1 7   47  0  o 551.352 9.9775  165402.80  5958.26  167859.30  9250.76  163661.41  7789.02  553.627 15.427  547.501 13.135  6.125854       20.26150  
1 1 1 7   47  1  o 401.172 6.6846  87343.35   2904.51  90657.42   4108.51  84032.23   4106.69  408.305 9.2903  393.039 9.6469  15.26572       13.39297  
1 1 1 7   47  2  o 622.781 10.467  211167.59  7060.65  205941.30  9985.54  216393.50  9985.01  613.295 15.033  628.834 14.660  -15.53851      20.99763  
1 1 1 7   47  3  o 119.838 2.8557  7780.55    370.659  7576.29    526.820  7980.78    521.601  118.229 4.1140  121.348 3.9686  -3.118584      5.716212  
1 1 1 7   47  4  o 269.311 4.8057  39325.64   1401.80  39746.93   1982.82  38904.67   1982.06  270.589 6.7656  267.700 6.8359  2.889038       9.617841  
1 1 1 7   47  5  o 210.240 4.1850  23960.28   952.969  23707.52   1440.22  24157.13   1270.99  208.995 6.3624  211.023 5.5609  -2.028259      8.450055  
1 1 1 7   47  6  o 241.037 4.3795  31498.44   1143.35  33213.92   1618.84  29790.99   1615.05  247.389 6.0416  234.268 6.3651  13.12137       8.775815  
1 1 1 7   47  7  o 331.388 5.7220  59591.51   2053.78  60208.94   2906.15  58975.49   2902.82  332.773 8.0631  329.335 8.1379  3.438416       11.45593  
1 1 1 7   47  8  o 175.839 3.5623  16758.04   678.451  17117.70   1376.42  16642.62   779.757  177.495 7.1597  175.208 4.1090  2.286896       8.255000  
1 1 1 7   47  9  o 54.303  2.7943  1602.01    163.791  2009.70    389.487  1514.42    180.530  60.547  6.0191  52.768  3.1734  7.778454       6.804398  
1 1 1 7   47  10 o 60.554  2.7167  1986.81    178.179  2730.41    413.704  1817.46    197.428  70.722  5.4427  57.824  3.1643  12.89805       6.295713  
1 1 1 7   47  11 o 141.917 3.2491  10916.01   499.418  11042.07   989.999  10872.98   578.409  142.565 6.4114  141.617 3.7709  0.9484100      7.438125  
1 1 1 7   47  12 o 158.856 3.4673  13680.29   596.584  13552.30   1396.17  13708.89   659.858  157.527 8.2114  159.004 3.8315  -1.476746      9.061367  
1 1 1 7   47  13 o 279.465 5.0151  42397.52   1518.02  42374.81   3045.51  42405.03   1751.05  278.368 10.101  279.378 5.7868  -1.010345      11.64132  
1 1 1 7   47  14 o 215.250 4.1087  25137.43   957.904  24922.93   1924.96  25208.02   1104.35  213.726 8.3156  215.488 4.7317  -1.761841      9.567554  
1 1 1 7   47  15 o 234.271 4.3631  29794.67   1107.09  27497.35   2218.84  30556.17   1277.47  224.132 9.1401  237.159 4.9733  -13.02679      10.40553  
1 1 1 7   47  16 o 140.590 3.7226  10727.69   566.859  11086.01   985.058  10550.28   693.124  142.615 6.3772  139.342 4.5926  3.272354       7.858758  
1 1 1 7   47  17 o 163.928 3.4620  14588.65   614.685  13304.40   1232.42  15013.92   709.194  155.887 7.2993  166.240 3.9388  -10.35312      8.294166  
1 1 1 7   47  18 o 87.998  2.9241  4203.09    278.695  3151.43    548.836  4568.49    323.508  75.532  6.7810  91.718  3.2566  -16.18614      7.522403  
1 1 1 7   47  19 o 87.280  3.1708  4139.64    299.743  4205.72    696.332  4124.61    332.085  86.995  7.4623  87.086  3.5207  -0.9069824E-01 8.251172  
1 1 1 7   47  20 o 46.199  3.9895  1172.11    197.671  914.934    460.946  1230.06    218.813  39.489  10.569  47.280  4.3206  -7.791348      11.41765  
1 1 1 7   47  21 o 63.648  3.4203  2212.93    234.919  1576.96    511.933  2382.57    264.401  52.118  9.4155  66.000  3.7138  -13.88175      10.12142  
1 1 1 7   47  22 o 72.642  2.4958  2868.52    196.365  2382.61    536.038  2943.83    211.035  64.726  7.8036  73.572  2.6483  -8.845459      8.240704  
1 1 1 7   47  23 o 93.029  2.8493  4713.83    287.099  4298.83    655.496  4812.34    319.361  87.343  6.9876  93.938  3.1388  -6.595818      7.660178  
1 1 1 7   47  24 o 50.045  4.0911  1384.72    219.817  1464.10    473.309  1362.89    248.210  49.594  9.1485  49.489  4.6865  0.1046295      10.27902  
1 1 1 7   47  25 o 116.758 3.1395  7458.20    397.031  7174.71    825.602  7543.49    452.831  112.244 6.8234  117.252 3.5657  -5.007294      7.698898  
1 1 1 7   47  26 o 81.625  2.8778  3644.11    254.423  3440.14    613.076  3686.54    279.640  76.888  7.4555  82.020  3.1478  -5.131752      8.092777  
1 1 1 7   47  27 o 33.657  5.7256  659.372    201.246  482.439    454.778  702.456    224.414  28.894  10.799  34.560  6.2242  -5.665386      12.46456  
1 1 1 7   47  28 o 39.335  6.1842  923.865    254.777  1057.55    496.187  876.000    296.905  38.336  11.229  37.445  7.5807  0.8904419      13.54822  
1 1 1 7   47  29 o 62.065  6.3766  2326.21    422.557  0.0000     0.0000   2326.21    422.557  ?       ?       62.065  6.3766  0.000000       6.376572  
1 1 1 7   47  30 o 43.934  8.8429  1318.63    406.230  0.0000     0.0000   1318.63    406.230  ?       ?       43.934  8.8429  0.000000       8.842932  
1 1 1 7   47  31 o 26.124  9.9902  507.457    394.372  0.0000     0.0000   507.457    394.372  ?       ?       26.124  9.9902  0.000000       9.990223  
1 1 1 7   47  32 o 25.557  10.004  498.442    402.258  0.0000     0.0000   498.442    402.258  ?       ?       25.557  10.004  0.000000       10.00366  
1 1 1 7   48  0  o 290.364 4.9969  45715.06   1571.51  46544.76   2223.30  44886.62   2221.60  292.813 7.0103  287.537 7.1335  5.275299       10.00156  
1 1 1 7   48  1  o 123.505 3.1015  8264.45    414.887  8121.91    586.919  8406.81    586.559  122.404 4.4270  124.535 4.3486  -2.130508      6.205557  
1 1 1 7   48  2  f 259.520 4.4354  36510.50   1246.73  37973.27   1764.04  35050.69   1762.26  264.544 6.1566  254.140 6.4021  10.40405       8.882058  
1 1 1 7   48  3  o 236.197 4.3366  30242.64   1109.41  30520.79   1569.57  29964.93   1568.31  237.164 6.1103  234.991 6.1619  2.173523       8.677794  
1 1 1 7   48  4  o 248.049 4.8833  33364.58   1311.96  32362.22   2001.04  34120.31   1737.51  244.070 7.5696  250.725 6.3982  -6.654694      9.911424  
1 1 1 7   48  5  o 275.224 4.9366  41078.83   1471.57  40785.64   2081.50  41371.80   2080.73  274.046 7.0127  276.014 6.9601  -1.967987      9.880292  
1 1 1 7   48  6  o 326.309 5.6501  57773.45   1996.89  58177.63   2825.14  57369.89   2822.93  327.139 7.9733  324.853 8.0231  2.286652       11.31120  
1 1 1 7   48  7  o 88.315  2.7041  4225.76    258.658  4408.77    374.642  4059.07    357.550  90.186  3.8354  86.536  3.8148  3.650139       5.409516  
1 1 1 7   48  8  o 125.668 3.4963  8559.30    475.885  8667.87    847.431  8509.29    575.133  126.353 6.1922  125.276 4.2387  1.077042       7.504004  
1 1 1 7   48  9  o 143.008 3.2202  11083.42   498.787  11386.26   1132.37  11010.52   555.589  144.737 7.2234  142.524 3.5991  2.213318       8.070344  
1 1 1 7   48  10 o 481.082 8.6396  126029.20  4501.77  126414.30  8339.25  125870.90  5347.96  478.582 16.088  480.230 10.282  -1.648682      19.09286  
1 1 1 7   48  11 o 211.771 3.9662  24317.79   909.723  25264.53   1833.66  24008.67   1047.76  215.457 7.8576  210.376 4.5983  5.081482       9.104168  
1 1 1 7   48  12 o 133.925 3.0486  9721.32    442.218  9308.54    906.956  9850.06    506.507  130.866 6.3986  134.793 3.4694  -3.926193      7.278670  
1 1 1 7   48  13 o 148.309 3.2228  11923.98   517.694  12425.36   1055.31  11765.08   594.090  151.164 6.4456  147.293 3.7239  3.871109       7.444000  
1 1 1 7   48  14 o 99.138  2.8645  5327.64    307.577  5080.85    641.489  5401.31    350.493  96.454  6.1728  99.808  3.2422  -3.353828      6.972455  
1 1 1 7   48  15 o 158.484 3.4060  13623.89   584.655  13690.97   1176.64  13601.90   673.708  158.490 6.8544  158.314 3.9290  0.1757507      7.900640  
1 1 1 7   48  16 o 124.971 4.3740  8485.58    592.054  8649.51    837.122  8321.53    837.460  125.974 6.1353  123.386 6.2874  2.588036       8.784845  
1 1 1 7   48  17 o 56.287  2.3385  1717.81    142.564  1387.57    398.240  1766.36    152.683  49.746  7.6351  57.072  2.4700  -7.326550      8.024732  
1 1 1 7   48  18 o 110.503 2.9719  6629.58    355.702  5769.32    712.393  6915.27    410.539  102.411 6.4555  112.820 3.3597  -10.40854      7.277428  
1 1 1 7   48  19 o 181.228 3.7248  17876.13   731.135  17135.63   1483.05  18113.89   840.354  175.955 7.7818  182.289 4.2563  -6.333847      8.869787  
1 1 1 7   48  20 o 126.080 3.1483  8646.11    429.927  9003.18    893.072  8538.39    490.504  127.609 6.4828  125.205 3.6170  2.403442       7.423589  
1 1 1 7   48  21 o 175.983 3.6000  16884.91   686.187  19170.12   1389.14  16147.35   789.189  185.856 6.9008  171.874 4.2394  13.98248       8.098986  
1 1 1 7   48  22 o 94.025  3.0893  4816.23    314.616  4919.37    661.390  4786.07    357.676  93.853  6.5474  93.647  3.5264  0.2061386      7.436664  
1 1 1 7   48  23 o 40.803  4.6611  927.431    202.295  1008.96    451.000  906.896    226.342  40.848  10.219  40.172  5.3340  0.6767616      11.52747  
1 1 1 7   48  24 o 61.653  3.6118  2089.55    240.129  2467.85    514.525  1984.20    271.512  65.569  7.3728  59.913  4.2108  5.656075       8.490538  
1 1 1 7   48  25 o 10.749  5.1750  -258.6119  178.082  -3.8088    402.428  -320.6585  198.584  21.302  9.2842  11.014  5.3421  10.28811       10.71140  
1 1 1 7   48  26 o 27.831  7.1292  462.167    215.860  540.814    438.366  436.993    248.013  30.315  10.707  27.033  7.9446  3.282927       13.33286  
1 1 1 7   48  27 o 47.266  5.2399  1277.09    263.737  1521.84    484.263  1173.89    314.465  49.012  9.4650  44.559  6.7250  4.452972       11.61089  
1 1 1 7   48  28 o 20.413  8.3863  162.246    297.496  0.0000     0.0000   162.246    297.496  ?       ?       20.413  8.3863  0.000000       8.386262  
1 1 1 7   48  29 o 24.694  9.5364  372.341    361.776  0.0000     0.0000   372.341    361.776  ?       ?       24.694  9.5364  0.000000       9.536443  
1 1 1 7   48  30 o 22.829  9.4231  284.673    377.832  0.0000     0.0000   284.673    377.832  ?       ?       22.829  9.4231  0.000000       9.423141  
1 1 1 7   48  31 o 21.804  9.2838  243.275    384.738  0.0000     0.0000   243.275    384.738  ?       ?       21.804  9.2838  0.000000       9.283794  
1 1 1 7   49  0  o 191.094 3.6591  19789.58   757.342  20376.29   1072.22  19205.43   1069.88  193.842 5.1070  188.183 5.2491  5.658844       7.323524  
1 1 1 7   49  1  o 221.280 4.1996  26541.68   1006.52  26114.84   1423.80  26968.09   1423.08  219.388 5.9919  222.950 5.8932  -3.562088      8.404327  
1 1 1 7   49  2  o 254.384 4.5680  35083.93   1258.59  34986.47   1780.44  35181.29   1779.41  253.887 6.4746  254.595 6.4529  -0.7077942     9.141177  
1 1 1 7   49  3  o 241.044 4.6298  31502.53   1208.73  33047.17   1840.23  30330.42   1603.03  246.706 6.8869  236.401 6.2607  10.30446       9.307279  
1 1 1 7   49  4  o 205.748 3.7907  22943.80   844.741  23797.98   1195.49  22092.04   1193.80  209.463 5.2695  201.804 5.4617  7.659042       7.589348  
1 1 1 7   49  5  o 216.771 4.0341  25471.96   947.140  26441.58   1340.06  24504.07   1338.86  220.760 5.6044  212.503 5.8170  8.257172       8.077587  
1 1 1 7   49  6  o 311.735 5.4282  52722.99   1832.77  54803.50   2593.30  50646.88   2590.56  317.558 7.5398  305.235 7.8359  12.32294       10.87427  
1 1 1 7   49  7  o 183.328 3.5927  18216.29   713.383  18546.04   1011.28  17889.65   1006.48  184.905 5.0496  181.599 5.1171  3.305679       7.189072  
1 1 1 7   49  8  o 45.885  3.5511  1148.02    175.111  1023.73    367.386  1184.56    199.194  42.664  8.2489  46.574  3.9873  -3.909779      9.161987  
1 1 1 7   49  9  o 378.531 6.5016  77831.77   2665.58  77424.92   5340.80  77966.74   3076.10  375.802 13.121  378.671 7.5001  -2.868469      15.11359  
1 1 1 7   49  10 o 142.349 3.2455  10982.46   500.382  9178.60    1022.01  11551.20   573.868  129.720 7.3038  145.974 3.6297  -16.25426      8.156013  
1 1 1 7   49  11 o 165.595 3.3784  14864.45   605.940  15930.96   1230.27  14522.88   696.244  171.199 6.6348  163.654 3.9279  7.545578       7.710355  
1 1 1 7   49  12 o 167.331 3.5137  15180.65   636.813  13290.47   1287.54  15792.78   732.707  156.237 7.6087  170.644 3.9643  -14.40764      8.579488  
1 1 1 7   49  13 o 110.248 2.8599  6587.96    341.505  7344.25    711.636  6361.69    389.255  116.262 5.6513  108.323 3.3178  7.939690       6.553221  
1 1 1 7   49  14 o 144.990 3.2212  11398.90   505.854  11377.51   1028.28  11405.73   581.021  144.568 6.5671  145.005 3.6995  -0.4366302     7.537400  
1 1 1 7   49  15 o 59.924  2.2604  1946.08    146.706  2361.96    420.920  1888.57    156.520  65.600  5.9902  59.028  2.4482  6.572090       6.471220  
1 1 1 7   49  16 o 127.815 4.5313  8880.92    627.302  8866.90    862.903  8896.62    913.539  127.495 6.2488  127.481 6.6392  0.1406860E-01  9.117374  
1 1 1 7   49  17 o 59.083  3.2885  1901.13    209.608  1251.62    452.912  2078.16    236.455  46.823  9.2587  61.754  3.5501  -14.93027      9.915986  
1 1 1 7   49  18 o 78.589  3.0013  3353.98    255.470  3955.09    592.068  3216.46    283.189  84.673  6.5056  76.931  3.3986  7.741875       7.339875  
1 1 1 7   49  19 o 62.567  2.4866  2124.96    168.508  2489.92    524.995  2083.04    177.921  66.734  7.3872  61.937  2.6522  4.797722       7.848931  
1 1 1 7   49  20 o 91.052  3.0616  4508.78    301.927  4301.39    651.972  4565.40    340.657  87.925  6.9016  91.572  3.4347  -3.646484      7.708987  
1 1 1 7   49  21 o 79.521  3.1517  3443.04    271.458  3516.89    586.055  3422.87    306.297  79.292  6.8926  79.227  3.5694  0.6464386E-01  7.761961  
1 1 1 7   49  22 o 26.256  2.3712  377.698    66.704   79.774     439.418  384.725    67.486   23.725  10.003  26.500  2.3765  -2.775158      10.28144  
1 1 1 7   49  23 o 83.570  3.1217  3810.54    282.565  3532.65    605.054  3888.05    319.551  78.941  7.1543  84.335  3.4983  -5.394264      7.963781  
1 1 1 7   49  24 f 25.236  6.7839  371.879    189.424  547.130    427.658  329.105    211.280  30.883  10.597  23.977  7.3973  6.905228       12.92331  
1 1 1 7   49  25 o 29.609  6.7062  516.291    210.075  -58.9851   434.886  691.386    239.924  21.387  9.4732  34.377  6.6845  -12.98995      11.59417  
1 1 1 7   49  26 o 45.779  4.3571  1172.55    213.434  1379.73    474.943  1120.12    238.918  47.082  9.6382  44.494  5.0470  2.587852       10.87961  
1 1 1 7   49  27 o 28.893  1.1080  453.073    34.674   441.097    430.238  453.152    34.788   27.640  10.467  28.896  1.1115  -1.255428      10.52566  
1 1 1 7   49  28 o 74.353  4.4966  3148.62    360.420  0.0000     0.0000   3148.62    360.420  ?       ?       74.353  4.4966  0.000000       4.496615  
1 1 1 7   49  29 o 55.943  6.8632  1930.47    407.128  0.0000     0.0000   1930.47    407.128  ?       ?       55.943  6.8632  0.000000       6.863172  
1 1 1 7   49  30 o 34.217  9.9776  875.090    392.550  0.0000     0.0000   875.090    392.550  ?       ?       34.217  9.9776  0.000000       9.977645  
1 1 1 7   49  31 o 20.034  8.6945  150.106    349.881  0.0000     0.0000   150.106    349.881  ?       ?       20.034  8.6945  0.000000       8.694480  
1 1 1 7   50  0  o 28.324  3.8552  442.827    115.196  317.152    166.697  557.701    159.373  23.766  6.3534  31.717  4.7884  -7.950602      7.955832  
1 1 1 7   50  1  o 366.726 6.3015  72991.03   2502.98  71958.42   3540.14  74023.19   3539.35  363.714 8.9865  368.918 8.8577  -5.204376      12.61809  
1 1 1 7   50  2  o 136.736 3.1070  10130.67   460.141  9647.28    666.213  10571.61   636.292  133.391 4.6112  139.648 4.2068  -6.257919      6.241840  
1 1 1 7   50  3  o 293.955 5.0464  46863.18   1606.70  47857.51   2272.90  45870.04   2271.53  296.851 7.0692  290.604 7.2168  6.246674       10.10231  
1 1 1 7   50  4  o 197.913 3.9776  21232.11   852.646  20523.54   1282.54  21793.31   1141.41  194.461 6.0893  200.442 5.2576  -5.980927      8.044970  
1 1 1 7   50  5  f 213.638 4.1036  24742.37   949.546  24838.38   1343.51  24646.54   1342.21  213.942 5.7980  213.113 5.8149  0.8290863      8.211510  
1 1 1 7   50  6  o 177.470 3.7225  17071.58   715.527  16570.44   1070.35  17476.48   962.101  174.746 5.6552  179.502 4.9486  -4.756409      7.514634  
1 1 1 7   50  7  o 312.597 5.4509  53022.79   1845.55  51398.17   2611.33  54644.12   2608.68  307.448 7.8419  317.047 7.5967  -9.599091      10.91809  
1 1 1 7   50  8  o 169.913 3.9840  15652.04   733.191  15144.36   1287.18  15895.88   892.051  166.933 7.1192  171.188 4.8111  -4.255188      8.592398  
1 1 1 7   50  9  o 184.177 3.5875  18387.38   715.642  20714.44   1453.36  17642.56   822.231  195.240 6.8728  180.376 4.2087  14.86314       8.059064  
1 1 1 7   50  10 o 611.417 10.264  204137.59  6796.79  196418.09  13600.10 206707.50  7847.01  591.786 21.218  614.442 11.791  -22.65582      24.27424  
1 1 1 7   50  11 o 426.050 7.2835  98757.37   3361.03  93959.09   6729.51  100352.10  3879.55  412.465 15.064  429.166 8.3461  -16.70151      17.22114  
1 1 1 7   50  12 o 461.204 8.3866  115967.90  4189.38  116956.80  7763.78  115561.70  4976.00  459.403 15.603  459.751 9.9928  -0.3480835     18.52866  
1 1 1 7   50  13 o 177.968 3.5068  17175.65   675.972  19637.67   1369.77  16383.03   777.204  189.962 6.6575  173.768 4.1295  16.19421       7.834206  
1 1 1 7   50  14 o 160.926 3.3815  14045.42   589.395  13918.20   1194.45  14086.37   677.638  159.823 6.9002  161.123 3.8830  -1.299561      7.917711  
1 1 1 7   50  15 o 298.455 5.2774  48451.74   1705.96  45826.34   3417.02  49323.40   1968.89  288.172 10.948  300.922 6.0408  -12.75031      12.50381  
1 1 1 7   50  16 o 138.792 4.5383  10475.54   682.223  9942.81    964.706  11008.50   964.912  134.906 6.6023  142.012 6.2733  -7.106003      9.107375  
1 1 1 7   50  17 o 24.640  5.8286  344.892    153.119  429.831    306.319  316.599    176.791  28.112  8.9415  23.710  6.6272  4.401896       11.12964  
1 1 1 7   50  18 o 37.811  1.7279  775.000    70.765   230.165    455.600  788.469    71.634   26.675  10.582  38.138  1.7342  -11.46346      10.72297  
1 1 1 7   50  19 o 112.902 3.0936  6929.56    378.303  6895.85    796.880  6939.36    429.825  111.682 6.6173  112.919 3.5144  -1.237396      7.492640  
1 1 1 7   50  20 o 47.761  1.8243  1237.29    94.371   657.095    466.151  1262.09    96.367   34.141  11.048  48.237  1.8445  -14.09583      11.20131  
1 1 1 7   50  21 o 20.066  6.6715  213.227    169.508  338.857    424.465  189.391    184.891  27.525  10.403  19.649  6.9523  7.875582       12.51208  
1 1 1 7   50  22 o 97.351  3.1355  5165.96    330.611  4844.29    682.435  5264.61    377.920  92.924  6.8284  98.186  3.5537  -5.262024      7.697745  
1 1 1 7   50  23 f 18.923  6.8086  173.092    178.038  0.6165     417.824  211.355    196.798  22.004  9.5253  20.414  7.1779  1.589746       11.92705  
1 1 1 7   50  24 o 67.549  2.4310  2484.89    177.855  2119.23    522.236  2532.86    189.162  60.205  8.2238  68.176  2.5617  -7.971539      8.613583  
1 1 1 7   50  25 o 24.475  6.9460  351.638    192.682  233.115    433.201  380.868    215.134  25.187  10.206  25.430  7.3782  -0.2424717     12.59350  
1 1 1 7   50  26 f 19.833  7.3833  188.819    212.164  -78.5081   430.860  274.388    243.767  20.822  9.3129  22.541  7.9821  -1.719683      12.26558  
1 1 1 7   50  27 o 16.390  6.9635  39.331     215.610  327.741    428.250  -58.5985   249.545  25.582  10.224  15.856  7.0901  9.725396       12.44156  
1 1 1 7   50  28 o 19.542  8.4798  68.169     332.708  0.0000     0.0000   68.169     332.708  ?       ?       19.542  8.4798  0.000000       8.479813  
1 1 1 7   50  29 o 29.914  9.8046  638.607    366.577  0.0000     0.0000   638.607    366.577  ?       ?       29.914  9.8046  0.000000       9.804565  
1 1 1 7   50  30 o 33.352  9.4593  811.881    357.463  0.0000     0.0000   811.881    357.463  ?       ?       33.352  9.4593  0.000000       9.459315  
1 1 1 7   50  31 o 15.170  7.3271  -360.4270  363.892  0.0000     0.0000   -360.4270  363.892  ?       ?       15.170  7.3271  0.000000       7.327096  
1 1 1 7   51  0  o 119.451 2.8864  7730.78    373.437  7944.96    530.258  7520.01    526.006  121.067 4.0438  117.783 4.1232  3.284416       5.775251  
1 1 1 7   51  1  o 264.142 4.7176  37832.05   1349.67  37987.69   1909.37  37676.63   1908.08  264.519 6.6644  263.431 6.6874  1.087524       9.441208  
1 1 1 7   51  2  o 167.917 3.4791  15280.26   632.747  14598.97   894.454  15962.72   895.226  164.068 5.0334  171.571 4.8175  -7.502594      6.967312  
1 1 1 7   51  3  o 333.816 6.2122  60484.86   2246.06  62087.79   3459.86  59317.28   2952.86  337.703 9.4592  330.290 8.2543  7.412689       12.55423  
1 1 1 7   51  4  o 260.812 4.5994  36885.30   1299.28  38277.31   1838.30  35495.86   1836.60  265.530 6.3920  255.676 6.6321  9.853592       9.210994  
1 1 1 7   51  5  o 418.353 7.0934  95081.18   3214.18  98840.27   4546.40  91324.95   4544.67  425.921 9.8553  409.306 10.251  16.61407       14.22033  
1 1 1 7   51  6  o 190.171 3.7268  19602.84   767.632  20348.04   1086.95  18861.33   1084.25  193.670 5.1817  186.449 5.3691  7.221283       7.461728  
1 1 1 7   51  7  o 3.8909  1.7912  -13.6637   17.409   -14.4998   17.573   30.568     127.816  3.8763  1.7898  13.407  5.5012  -9.530307      5.785010  
1 1 1 7   51  8  o 271.988 4.8651  40130.30   1433.22  40179.91   2029.64  40080.95   2024.14  271.927 6.8912  271.593 6.8810  0.3337097      9.738432  
1 1 1 7   51  9  o 222.974 4.0977  26958.92   989.615  29180.96   1996.92  26235.55   1139.36  231.572 7.9617  219.911 4.7835  11.66049       9.288181  
1 1 1 7   51  10 o 263.433 4.5854  37647.40   1308.32  43374.53   2632.80  35769.40   1507.64  282.142 8.6155  256.690 5.4228  25.45261       10.18003  
1 1 1 7   51  11 o 204.764 4.0296  22739.94   893.678  20349.97   1801.75  23519.78   1029.20  193.197 8.6104  208.202 4.5640  -15.00508      9.745219  
1 1 1 7   51  12 o 91.704  2.8189  4557.87    279.992  4118.57    592.550  4684.15    317.697  86.804  6.3466  92.956  3.1555  -6.152840      7.087723  
1 1 1 7   51  13 o 50.810  3.0572  1404.70    167.465  1483.35    391.389  1387.07    185.283  51.695  7.1844  50.460  3.4101  1.234863       7.952659  
1 1 1 7   51  14 o 78.999  2.8074  3383.47    240.214  3522.07    515.927  3345.10    271.429  80.227  5.9804  78.538  3.1909  1.689552       6.778376  
1 1 1 7   51  15 o 84.512  3.3473  3875.36    306.396  3551.21    547.815  4022.93    369.614  80.457  6.3377  86.073  3.9647  -5.616096      7.475655  
1 1 1 7   51  16 o 89.640  3.3776  4362.36    327.928  3950.25    568.198  4568.19    401.554  84.826  6.2280  91.681  4.0439  -6.854919      7.425674  
1 1 1 7   51  17 o 164.857 3.5490  14769.61   633.701  13728.02   1220.24  15154.27   741.538  158.104 7.1258  166.892 4.1023  -8.787476      8.222245  
1 1 1 7   51  18 o 106.335 3.0938  6143.89    356.319  5855.78    753.010  6227.01    404.467  102.947 6.7915  107.004 3.4899  -4.056885      7.635688  
1 1 1 7   51  19 o 114.342 3.0969  7108.78    383.531  7196.24    808.912  7083.41    435.607  114.066 6.5754  114.070 3.5258  -0.4364014E-02 7.460984  
1 1 1 7   51  20 o 124.860 3.1996  8485.31    432.708  8144.47    896.306  8588.88    494.101  121.059 6.8641  125.529 3.6342  -4.469971      7.766754  
1 1 1 7   51  21 o 46.973  2.0694  1197.93    105.285  1524.33    470.598  1180.73    108.023  51.272  8.7906  46.630  2.1388  4.641220       9.047102  
1 1 1 7   51  22 o 34.921  5.4890  689.235    200.763  433.680    446.281  754.074    224.794  29.348  10.747  36.454  5.8946  -7.105873      12.25722  
1 1 1 7   51  23 o 94.809  3.1156  4907.08    319.939  4988.83    668.406  4882.78    364.395  94.087  6.6009  94.458  3.5618  -0.3712692     7.500497  
1 1 1 7   51  24 o 53.244  4.0688  1568.95    232.871  964.686    491.696  1743.68    264.405  39.227  11.083  56.051  4.3904  -16.82409      11.92102  
1 1 1 7   51  25 o 41.760  4.7514  980.050    211.083  1033.04    467.335  966.471    236.591  40.441  10.556  41.242  5.4284  -0.8003540     11.87026  
1 1 1 7   51  26 o 47.537  4.7178  1273.66    239.699  1081.18    484.999  1335.88    275.727  40.654  10.823  48.433  5.3452  -7.778713      12.07081  
1 1 1 7   51  27 o 38.208  1.1949  792.855    49.450   245.957    455.546  799.377    49.744   24.568  10.261  38.365  1.1971  -13.79690      10.33019  
1 1 1 7   51  28 o 85.443  5.2522  4235.53    483.701  0.0000     0.0000   4235.53    483.701  ?       ?       85.443  5.2522  0.000000       5.252174  
1 1 1 7   51  29 o 22.628  9.1963  268.960    352.916  0.0000     0.0000   268.960    352.916  ?       ?       22.628  9.1963  0.000000       9.196321  
1 1 1 7   51  30 o 34.054  9.8945  871.636    386.653  0.0000     0.0000   871.636    386.653  ?       ?       34.054  9.8945  0.000000       9.894473  
1 1 1 7   51  31 o 29.900  10.625  732.473    432.251  0.0000     0.0000   732.473    432.251  ?       ?       29.900  10.625  0.000000       10.62472  
1 1 1 7   52  0  o 212.527 4.1035  24484.71   944.578  24510.77   1337.12  24458.74   1334.56  212.535 5.8086  212.310 5.8036  0.2253571      8.211032  
1 1 1 7   52  1  o 198.223 3.7991  21297.01   815.652  21295.85   1155.73  21298.18   1151.29  198.133 5.3855  198.145 5.3645  -0.1217651E-01 7.601464  
1 1 1 7   52  2  o 61.606  2.1901  2055.94    146.136  2002.53    176.690  2171.56    259.989  60.796  2.6833  63.181  3.8172  -2.384865      4.665912  
1 1 1 7   52  3  o 126.646 3.0223  8690.95    414.575  8428.91    587.269  8951.27    585.330  124.686 4.3486  128.496 4.2057  -3.810287      6.049680  
1 1 1 7   52  4  o 223.104 4.2160  26985.94   1018.77  26968.36   1441.16  27003.49   1440.35  222.908 5.9692  223.053 5.9620  -0.1457214     8.436601  
1 1 1 7   52  5  o 158.171 3.3103  13558.05   567.104  13459.20   802.258  13656.77   801.756  157.536 4.7018  158.690 4.6647  -1.153854      6.623141  
1 1 1 7   52  6  o 137.273 3.1439  10211.66   467.441  9279.72    663.026  11132.64   659.114  130.807 4.6798  143.290 4.2469  -12.48390      6.319582  
1 1 1 7   52  7  o 249.239 4.5880  33690.67   1238.54  31895.60   1752.64  35481.34   1750.49  242.310 6.6781  255.609 6.3229  -13.29872      9.196467  
1 1 1 7   52  8  o 159.222 3.2886  13740.14   567.127  14125.81   808.325  13366.23   795.897  161.378 4.6246  156.977 4.6811  4.401855       6.580242  
1 1 1 7   52  9  o 107.092 3.2360  6216.03    375.347  7063.89    682.933  5849.07    449.291  114.072 5.5275  103.860 3.9940  10.21142       6.819492  
1 1 1 7   52  10 o 189.268 3.6833  19422.53   755.068  20304.74   1529.49  19138.23   868.246  193.186 7.3097  187.840 4.2676  5.345535       8.464305  
1 1 1 7   52  11 o 349.545 6.0714  66396.41   2298.60  65337.95   4606.22  66747.38   2652.47  344.897 12.331  350.271 6.9916  -5.373810      14.17485  
1 1 1 7   52  12 o 212.000 3.9659  24380.60   910.641  25821.42   1836.17  23910.61   1048.70  217.652 7.7889  209.885 4.6132  7.767776       9.052557  
1 1 1 7   52  13 o 99.065  2.8991  5320.27    311.069  4577.92    646.007  5544.35    354.927  91.466  6.5645  101.117 3.2408  -9.650375      7.320894  
1 1 1 7   52  14 o 43.578  1.4444  1028.74    68.176   469.578    344.618  1051.52    69.550   29.594  9.4915  44.057  1.4575  -14.46339      9.602775  
1 1 1 7   52  15 o 138.050 3.8143  10348.97   570.320  9374.86    961.370  10877.96   708.448  130.831 6.8079  141.444 4.6244  -10.61285      8.229975  
1 1 1 7   52  16 o 90.717  3.0926  4466.76    303.868  3703.29    578.244  4758.02    357.159  82.026  6.5636  93.597  3.5231  -11.57107      7.449387  
1 1 1 7   52  17 o 125.143 3.1163  8505.59    422.387  8555.50    893.566  8491.23    479.318  124.705 6.6396  124.984 3.5408  -0.2798157     7.524702  
1 1 1 7   52  18 f 137.226 3.2392  10237.30   481.445  10020.07   994.932  10303.72   550.144  134.706 6.8417  137.592 3.6916  -2.885849      7.774107  
1 1 1 7   52  19 o 142.879 3.3769  11110.14   522.590  11149.88   1056.20  11097.25   601.357  142.044 6.8652  142.681 3.8913  -0.6371918     7.891349  
1 1 1 7   52  20 o 73.909  3.2347  2974.19    258.940  3065.82    573.220  2950.70    290.241  73.922  7.2528  73.564  3.6427  0.3580322      8.116192  
1 1 1 7   52  21 o 54.371  3.6568  1621.02    214.096  1187.49    496.134  1720.22    237.330  44.558  10.460  55.963  3.9406  -11.40531      11.17722  
1 1 1 7   52  22 o 134.674 3.3208  9900.05    484.397  9014.24    987.114  10181.01   555.937  126.474 7.2361  136.420 3.7625  -9.945465      8.155809  
1 1 1 7   52  23 o 38.369  1.7839  799.449    74.134   1105.50    451.631  790.974    75.154   42.632  9.9604  38.163  1.8182  4.469288       10.12504  
1 1 1 7   52  24 o 49.592  2.2487  1338.79    120.788  856.695    483.013  1370.95    124.752  37.005  11.139  50.179  2.2954  -13.17456      11.37300  
1 1 1 7   52  25 o 36.935  2.3980  746.836    95.411   1154.69    465.582  728.957    97.480   42.911  10.172  36.475  2.4823  6.436714       10.47085  
1 1 1 7   52  26 o 49.961  2.2100  1361.78    119.588  797.735    483.318  1398.56    123.426  34.799  11.249  50.624  2.2510  -15.82557      11.47183  
1 1 1 7   52  27 o 46.216  5.1548  1234.43    253.636  567.263    491.537  1476.53    296.101  29.493  11.183  50.365  5.5183  -20.87293      12.47039  
1 1 1 7   52  28 o 43.518  8.0676  1214.21    366.263  0.0000     0.0000   1214.21    366.263  ?       ?       43.518  8.0676  0.000000       8.067624  
1 1 1 7   52  29 o 23.623  9.0452  343.099    323.535  0.0000     0.0000   343.099    323.535  ?       ?       23.623  9.0452  0.000000       9.045160  
1 1 1 7   52  30 o 24.188  9.5350  385.944    367.766  0.0000     0.0000   385.944    367.766  ?       ?       24.188  9.5350  0.000000       9.535041  
1 1 1 7   52  31 o 21.778  8.9806  270.513    342.730  0.0000     0.0000   270.513    342.730  ?       ?       21.778  8.9806  0.000000       8.980560  
1 1 1 7   53  0  o 55.805  2.8266  1691.62    170.289  1760.94    244.654  1626.49    237.171  56.856  3.9983  54.628  4.0371  2.228374       5.681962  
1 1 1 7   53  1  o 207.041 4.0473  23237.22   907.604  23319.66   1369.56  23172.66   1211.94  207.278 6.1004  206.673 5.4141  0.6051483      8.156415  
1 1 1 7   53  2  o 444.144 7.4342  107190.60  3576.25  108293.00  5058.31  106088.80  5056.85  445.681 10.479  441.092 10.585  4.589081       14.89437  
1 1 1 7   53  3  o 432.632 7.8186  101748.80  3663.69  104710.70  5671.24  99627.33   4799.62  437.771 11.961  427.483 10.366  10.28787       15.82777  
1 1 1 7   53  4  o 239.734 4.2727  31160.79   1109.45  30990.79   1569.58  31330.54   1568.42  238.938 6.0650  240.248 6.0274  -1.309647      8.550663  
1 1 1 7   53  5  o 439.011 7.4051  104752.20  3521.09  105244.40  4980.17  104260.20  4978.97  439.249 10.468  437.176 10.515  2.072968       14.83730  
1 1 1 7   53  6  o 362.702 6.6399  71458.14   2608.45  71351.26   4025.38  71535.51   3424.79  361.672 10.276  362.503 8.7227  -0.8308411     13.47892  
1 1 1 7   53  7  f 75.556  2.7591  3093.23    225.793  2803.76    325.622  3361.34    313.370  71.785  4.2064  78.746  3.6742  -6.960632      5.585104  
1 1 1 7   53  8  o 83.628  2.7876  3789.68    252.496  3897.50    372.507  3698.03    343.428  84.781  4.0566  82.589  3.8392  2.192627       5.585326  
1 1 1 7   53  9  o 228.477 4.9298  28326.77   1219.94  28690.37   2125.37  28148.12   1489.80  229.477 8.5512  227.641 6.0424  1.836441       10.47056  
1 1 1 7   53  10 o 110.120 2.9229  6572.15    348.616  6162.72    731.678  6692.40    396.517  106.292 6.3851  111.112 3.2948  -4.819733      7.185091  
1 1 1 7   53  11 o 126.044 3.0163  8611.34    411.784  9422.37    845.765  8359.36    471.435  131.676 5.9302  124.166 3.5055  7.510300       6.888829  
1 1 1 7   53  12 o 99.153  2.8069  5328.93    301.441  5964.11    637.218  5145.81    342.145  104.603 5.6453  97.420  3.2426  7.183098       6.510262  
1 1 1 7   53  13 o 108.454 2.9275  6377.12    343.882  5686.80    710.051  6588.66    393.053  101.989 6.4612  110.221 3.2924  -8.231758      7.251716  
1 1 1 7   53  14 o 110.728 2.8986  6648.87    347.628  6669.62    722.937  6642.62    396.473  110.484 6.0645  110.653 3.3081  -0.1696930     6.908110  
1 1 1 7   53  15 o 46.722  3.9409  1194.30    197.568  1239.85    373.652  1176.62    232.767  46.996  7.6001  46.271  4.7102  0.7245140      8.941355  
1 1 1 7   53  16 o 128.000 3.5848  8901.97    496.990  8951.71    864.026  8877.38    607.558  127.934 6.2355  127.719 4.3920  0.2153931      7.626983  
1 1 1 7   53  17 o 132.294 3.1244  9507.86    447.697  10215.04   932.245  9295.87    510.406  136.471 6.3069  130.744 3.6043  5.727951       7.264194  
1 1 1 7   53  18 o 143.449 3.3660  11192.65   522.977  12257.83   1056.85  10847.24   601.826  149.219 6.5392  141.104 3.9379  8.114304       7.633308  
1 1 1 7   53  19 f 63.446  3.3620  2197.09    230.208  1817.86    531.287  2284.75    255.432  56.293  9.0183  64.656  3.6625  -8.363949      9.733616  
1 1 1 7   53  20 o 79.688  2.6074  3451.60    225.047  3984.66    594.288  3362.36    243.156  84.568  6.5390  78.622  2.8554  5.945900       7.135226  
1 1 1 7   53  21 o 46.862  4.0574  1210.27    203.908  1237.76    483.056  1204.30    224.930  45.594  10.052  46.652  4.5077  -1.058258      11.01671  
1 1 1 7   53  22 o 29.677  5.9572  505.910    184.830  637.235    447.535  478.904    202.947  33.104  10.832  28.719  6.6547  4.384966       12.71327  
1 1 1 7   53  23 o 30.505  6.2995  539.299    201.245  470.407    455.410  556.016    224.337  29.771  10.863  30.834  6.8908  -1.062542      12.86429  
1 1 1 7   53  24 o 47.561  4.6121  1263.31    234.600  959.640    481.069  1358.06    268.720  39.025  10.941  49.159  5.1221  -10.13470      12.08022  
1 1 1 7   53  25 o 20.267  7.5987  192.111    225.500  272.278    433.231  162.321    264.095  25.647  10.271  20.463  8.0759  5.183683       13.06583  
1 1 1 7   53  26 o 61.046  4.0747  2081.40    267.868  1941.37    530.779  2129.25    310.279  55.773  9.1004  61.443  4.6980  -5.670227      10.24153  
1 1 1 7   53  27 o 67.602  4.6084  2603.19    335.419  0.0000     0.0000   2603.19    335.419  ?       ?       67.602  4.6084  0.000000       4.608443  
1 1 1 7   53  28 o 47.778  7.4265  1429.75    371.832  0.0000     0.0000   1429.75    371.832  ?       ?       47.778  7.4265  0.000000       7.426493  
1 1 1 7   53  29 o 17.441  7.9505  -66.1053   331.918  0.0000     0.0000   -66.1053   331.918  ?       ?       17.441  7.9505  0.000000       7.950501  
1 1 1 7   53  30 o 21.631  9.1065  234.289    363.291  0.0000     0.0000   234.289    363.291  ?       ?       21.631  9.1065  0.000000       9.106463  
1 1 1 7   54  0  o 51.711  1.8384  1448.43    102.968  1486.91    118.654  1331.07    207.213  52.392  2.0910  49.400  3.9046  2.991913       4.429226  
1 1 1 7   54  1  f 109.167 2.8682  6457.22    339.139  6386.90    480.234  6527.17    478.997  108.543 4.0849  109.730 4.0303  -1.186958      5.738461  
1 1 1 7   54  2  o 58.187  2.7949  1834.47    176.144  1541.72    246.134  2141.79    252.187  53.150  4.3128  62.750  3.7273  -9.599892      5.700228  
1 1 1 7   54  3  o 262.557 4.8056  37388.06   1366.60  37163.15   1933.25  37612.71   1932.09  261.570 6.8239  263.152 6.7788  -1.582520      9.618555  
1 1 1 7   54  4  o 491.178 8.2694  131241.00  4399.32  130139.80  6222.11  132341.91  6221.05  487.991 11.772  492.141 11.671  -4.149628      16.57687  
1 1 1 7   54  5  o 208.334 4.0008  23530.49   902.767  24079.18   1277.40  22982.99   1276.01  210.639 5.5991  205.779 5.7251  4.860382       8.007919  
1 1 1 7   54  6  o 371.766 6.4608  75067.74   2601.53  73483.55   3679.62  76651.07   3678.61  367.257 9.2504  375.137 9.0537  -7.879150      12.94370  
1 1 1 7   54  7  o 278.168 4.9663  41980.80   1496.27  43145.92   2118.12  40820.23   2113.98  281.755 6.9408  274.030 7.1225  7.724854       9.945056  
1 1 1 7   54  8  o 186.882 3.6689  18934.04   742.643  19076.07   1055.88  18794.99   1044.72  187.480 5.1998  186.095 5.1832  1.385117       7.341887  
1 1 1 7   54  9  o 162.635 3.9006  14343.10   687.086  15058.61   1210.28  14002.83   834.625  166.427 6.7141  160.640 4.7970  5.786713       8.251704  
1 1 1 7   54  10 o 65.926  2.7911  2355.45    199.300  2804.38    456.853  2249.93    221.487  71.599  5.9449  64.426  3.1741  7.173264       6.739174  
1 1 1 7   54  11 o 212.225 4.0296  24433.16   926.241  25381.62   1869.10  24124.43   1066.39  215.762 7.9981  210.818 4.6702  4.943802       9.261791  
1 1 1 7   54  12 o 206.574 3.9605  23153.47   886.136  22731.63   1786.35  23291.16   1020.55  204.073 8.0819  207.125 4.5492  -3.051956      9.274248  
1 1 1 7   54  13 o 239.050 4.3835  31032.78   1134.96  30622.21   2280.46  31167.96   1308.53  236.443 8.9048  239.463 5.0452  -3.019470      10.23473  
1 1 1 7   54  14 o 124.972 3.0750  8472.25    416.233  7279.31    845.554  8853.77    478.182  115.268 6.8029  127.727 3.4565  -12.45895      7.630621  
1 1 1 7   54  15 o 155.147 3.8726  13078.44   650.746  13473.96   1134.77  12884.63   794.336  156.968 6.6746  153.863 4.7665  3.105026       8.201826  
1 1 1 7   54  16 o 80.682  3.3909  3536.52    296.318  3466.30    516.386  3571.00    361.817  79.378  6.0519  80.906  4.1428  -1.528381      7.334020  
1 1 1 7   54  17 o 73.124  3.1342  2905.45    248.234  2664.43    536.184  2971.20    280.054  69.162  7.2664  73.916  3.4981  -4.754166      8.064547  
1 1 1 7   54  18 o 61.687  3.4093  2076.68    226.901  1946.66    509.447  2108.85    253.425  58.626  8.2513  62.109  3.7853  -3.482971      9.078178  
1 1 1 7   54  19 o 124.359 3.1377  8414.08    422.626  9105.66    885.955  8210.34    480.865  128.445 6.3683  122.751 3.6168  5.694267       7.323734  
1 1 1 7   54  20 o 109.627 3.0877  6543.42    366.629  7226.48    776.237  6347.29    415.948  114.082 6.3066  107.877 3.5599  6.205193       7.241981  
1 1 1 7   54  21 o 75.990  2.6643  3141.64    219.284  2846.90    584.233  3189.97    236.581  70.766  7.7490  76.547  2.8535  -5.780571      8.257725  
1 1 1 7   54  22 o 34.386  4.9743  665.245    179.878  497.566    459.108  695.652    195.509  30.494  10.938  35.091  5.3099  -4.597628      12.15842  
1 1 1 7   54  23 o 73.622  3.3828  2966.07    269.744  3055.48    656.337  2947.90    295.887  72.336  8.5421  73.219  3.7436  -0.8826523     9.326400  
1 1 1 7   54  24 o 97.007  3.2392  5153.58    340.336  4328.46    704.250  5405.00    388.743  86.496  7.5942  99.209  3.6178  -12.71327      8.411908  
1 1 1 7   54  25 o 68.689  3.7165  2608.01    275.464  2765.69    556.409  2556.81    317.045  68.605  7.6166  67.759  4.3429  0.8461151      8.767710  
1 1 1 7   54  26 o 41.280  1.7796  927.975    79.566   141.718    464.947  951.695    80.757   23.664  10.144  41.804  1.7836  -18.13972      10.29959  
1 1 1 7   54  27 o 14.741  2.9959  124.266    46.204   0.0000     0.0000   124.266    46.204   ?       ?       14.741  2.9959  0.000000       2.995935  
1 1 1 7   54  28 o 39.496  8.5199  1030.07    353.757  0.0000     0.0000   1030.07    353.757  ?       ?       39.496  8.5199  0.000000       8.519906  
1 1 1 7   54  29 o 21.139  8.8352  200.779    338.137  0.0000     0.0000   200.779    338.137  ?       ?       21.139  8.8352  0.000000       8.835160  
1 1 1 7   54  30 o 22.371  8.9777  301.378    331.730  0.0000     0.0000   301.378    331.730  ?       ?       22.371  8.9777  0.000000       8.977652  
1 1 1 7   55  0  o 184.972 3.7221  18545.34   745.708  17832.95   1055.35  19255.69   1053.83  181.298 5.3744  188.405 5.1643  -7.106537      7.453467  
1 1 1 7   55  1  o 268.744 4.8371  39171.12   1407.98  39394.85   1992.05  38947.78   1990.33  269.311 6.8293  267.774 6.8626  1.536346       9.681639  
1 1 1 7   55  2  o 207.959 3.8780  23443.33   873.482  22310.70   1233.04  24584.27   1237.56  202.765 5.6145  212.865 5.3677  -10.09944      7.767582  
1 1 1 7   55  3  o 258.688 4.9773  36299.51   1394.56  36110.18   2130.24  36441.51   1844.82  257.728 7.6313  259.036 6.5755  -1.307434      10.07338  
1 1 1 7   55  4  o 212.134 3.7759  24393.71   867.558  25402.02   1227.79  23388.27   1226.04  216.378 5.2389  207.608 5.4524  8.769775       7.561433  
1 1 1 7   55  5  f 207.491 4.1586  23343.35   934.575  23662.01   1410.88  23094.21   1247.52  208.745 6.2403  206.281 5.5837  2.463989       8.373664  
1 1 1 7   55  6  o 214.887 4.0771  25037.37   948.923  24366.51   1342.78  25706.63   1341.18  211.852 5.8520  217.614 5.6902  -5.762680      8.162369  
1 1 1 7   55  7  o 204.908 3.9296  22765.63   872.112  22847.23   1235.51  22684.59   1231.21  205.151 5.5604  204.419 5.5608  0.7315521      7.863851  
1 1 1 7   55  8  o 251.014 4.5851  34182.37   1246.56  33520.54   1765.27  34840.65   1760.53  248.342 6.5628  253.204 6.4195  -4.862640      9.180459  
1 1 1 7   55  9  o 209.661 4.6116  23850.71   1047.23  23678.65   1828.22  23934.73   1277.60  208.492 8.0960  209.934 5.6188  -1.441711      9.854744  
1 1 1 7   55  10 o 106.342 2.8910  6129.31    332.988  5618.01    704.653  6276.31    377.837  101.441 6.4469  107.599 3.2421  -6.157356      7.216231  
1 1 1 7   55  11 o 138.032 3.1354  10329.46   468.752  10484.14   963.727  10281.52   536.490  138.819 6.4097  137.687 3.5975  1.131683       7.350210  
1 1 1 7   55  12 o 205.961 3.9872  23020.37   889.461  22489.34   1792.26  23193.90   1024.53  202.904 8.1553  206.668 4.5770  -3.764343      9.351912  
1 1 1 7   55  13 o 153.979 3.3111  12862.03   552.217  12167.00   1122.08  13084.16   634.355  149.328 6.9376  155.264 3.7722  -5.935684      7.896857  
1 1 1 7   55  14 o 66.255  2.9459  2381.26    211.399  2407.01    448.821  2373.92    239.647  66.113  6.3458  66.051  3.3609  0.6226349E-01  7.180851  
1 1 1 7   55  15 o 100.390 3.3732  5472.68    366.778  4997.68    645.448  5699.21    445.739  95.414  6.2808  102.388 4.0194  -6.974045      7.456822  
1 1 1 7   55  16 o 140.605 3.7130  10750.42   565.455  11835.92   1009.55  10254.20   682.571  146.958 6.3425  137.173 4.5942  9.784744       7.831626  
1 1 1 7   55  17 o 107.589 2.9358  6288.16    342.107  5966.27    738.166  6376.21    386.072  103.952 6.5902  108.297 3.2914  -4.344276      7.366457  
1 1 1 7   55  18 o 100.092 3.0006  5445.99    325.293  5706.31    683.205  5369.68    369.914  101.641 6.2361  99.330  3.4384  2.311478       7.121213  
1 1 1 7   55  19 o 57.389  2.1857  1787.82    135.857  919.592    502.702  1856.23    141.108  39.426  11.230  58.474  2.2280  -19.04847      11.44888  
1 1 1 7   55  20 o 21.694  6.6761  262.045    172.212  206.476    435.411  272.350    187.501  25.545  10.273  22.201  6.9883  3.343956       12.42501  
1 1 1 7   55  21 o 16.162  6.4761  74.735     172.330  -337.1240  433.618  151.989    187.798  18.906  8.7855  18.628  6.9441  0.2774925      11.19851  
1 1 1 7   55  22 o 104.625 3.0956  5974.23    350.798  5319.64    743.823  6161.47    397.819  96.894  7.1379  106.150 3.4602  -9.255653      7.932374  
1 1 1 7   55  23 o 124.306 3.2515  8452.58    437.767  7353.64    907.416  8785.93    499.772  113.370 7.4310  126.571 3.6456  -13.20058      8.277092  
1 1 1 7   55  24 o 49.274  2.5907  1328.05    137.776  1296.32    509.615  1330.55    143.105  45.486  10.549  49.302  2.6901  -3.815823      10.88657  
1 1 1 7   55  25 o 14.634  1.9768  118.678    30.532   154.314    435.096  118.502    30.607   23.783  9.9866  14.622  1.9839  9.161167       10.18176  
1 1 1 7   55  26 o 23.736  7.8337  337.522    233.865  441.924    446.500  298.052    274.536  27.580  10.610  23.115  8.4343  4.465065       13.55423  
1 1 1 7   55  27 o 46.772  7.0836  1341.56    347.613  0.0000     0.0000   1341.56    347.613  ?       ?       46.772  7.0836  0.000000       7.083645  
1 1 1 7   55  28 o 57.046  6.2302  1961.22    378.689  0.0000     0.0000   1961.22    378.689  ?       ?       57.046  6.2302  0.000000       6.230206  
1 1 1 7   55  29 o 22.426  9.1544  273.359    351.642  0.0000     0.0000   273.359    351.642  ?       ?       22.426  9.1544  0.000000       9.154359  
1 1 1 7   55  30 o 20.396  8.7937  158.500    353.230  0.0000     0.0000   158.500    353.230  ?       ?       20.396  8.7937  0.000000       8.793726  
1 1 1 7   56  0  o 142.973 3.1743  11077.25   491.560  10894.46   696.560  11258.59   693.789  141.740 4.5373  144.093 4.4454  -2.353149      6.352082  
1 1 1 7   56  1  o 207.608 4.2499  23369.22   955.637  23210.68   1444.77  23492.54   1274.19  206.743 6.4521  208.061 5.6543  -1.317276      8.579021  
1 1 1 7   56  2  o 211.107 4.0361  24160.96   922.858  23669.51   1305.07  24652.48   1305.17  208.831 5.7699  213.132 5.6539  -4.301498      8.078250  
1 1 1 7   56  3  f 193.197 3.7400  20232.48   782.601  20453.08   1108.01  20012.87   1105.53  194.157 5.2689  192.053 5.3147  2.103882       7.483802  
1 1 1 7   56  4  o 289.561 4.9665  45485.01   1557.62  45884.05   2202.61  45085.82   2203.02  290.582 6.9984  288.034 7.0616  2.547546       9.942047  
1 1 1 7   56  5  f 438.870 7.4533  104728.30  3542.85  105164.30  5011.15  104292.60  5009.54  438.899 10.542  437.063 10.582  1.836395       14.93688  
1 1 1 7   56  6  f 318.431 5.9373  55061.08   2047.75  53438.01   3149.76  56249.34   2695.03  313.091 9.2883  321.545 7.7384  -8.454132      12.08950  
1 1 1 7   56  7  o 165.997 3.4445  14936.99   619.294  14494.71   879.753  15371.44   871.928  163.435 4.9699  168.318 4.7828  -4.882767      6.897435  
1 1 1 7   56  8  o 118.286 2.9271  7582.80    375.010  7696.83    539.439  7476.15    521.693  119.126 4.1809  117.409 4.1025  1.716835       5.857458  
1 1 1 7   56  9  o 131.617 3.4171  9391.59    487.119  10839.82   872.956  8736.75    587.008  141.263 5.7055  126.906 4.2706  14.35662       7.126772  
1 1 1 7   56  10 o 105.586 2.8376  6042.61    324.508  6654.37    691.015  5869.52    367.559  110.503 5.7938  104.049 3.2615  6.453957       6.648695  
1 1 1 7   56  11 o 124.530 2.9530  8407.05    398.294  9244.55    829.058  8155.76    454.134  130.384 5.8707  122.633 3.4191  7.750984       6.793776  
1 1 1 7   56  12 o 180.869 3.7435  17751.33   733.346  19739.27   1415.59  17022.12   857.363  190.282 6.8687  177.040 4.4712  13.24147       8.195730  
1 1 1 7   56  13 o 127.892 3.0428  8871.90    421.483  8357.24    864.622  9032.32    482.723  123.613 6.4805  129.013 3.4546  -5.399956      7.343752  
1 1 1 7   56  14 o 151.337 3.2899  12431.41   539.256  12873.92   1091.62  12288.57   620.216  153.487 6.5664  150.407 3.8072  3.080063       7.590297  
1 1 1 7   56  15 f 177.776 4.2050  17194.57   809.671  15776.97   1407.12  17896.26   989.981  169.386 7.6698  181.184 5.0447  -11.79874      9.180155  
1 1 1 7   56  16 o 95.759  3.0645  4980.91    317.838  4743.24    649.536  5055.73    364.451  92.740  6.5077  96.433  3.4894  -3.692711      7.384123  
1 1 1 7   56  17 o 74.764  3.1276  3038.31    253.264  2693.11    546.502  3132.73    285.807  69.438  7.3796  75.883  3.4774  -6.445503      8.157896  
1 1 1 7   56  18 o 53.442  3.5065  1561.57    201.841  1625.28    461.194  1546.48    224.480  53.431  8.2338  53.117  3.9298  0.3143005      9.123549  
1 1 1 7   56  19 o 30.777  6.6265  543.952    214.357  942.066    431.268  413.328    247.033  39.922  9.9962  26.933  7.9328  12.98973       12.76138  
1 1 1 7   56  20 o 59.854  2.5190  1947.50    163.304  1012.47    525.040  2047.64    171.827  40.993  11.408  61.367  2.5851  -20.37472      11.69677  
1 1 1 7   56  21 o 89.563  3.1906  4375.51    309.508  3503.09    655.443  4625.87    351.121  78.405  7.8227  92.018  3.5230  -13.61265      8.579423  
1 1 1 7   56  22 o 27.032  6.4325  425.132    185.607  144.831    455.117  481.052    203.281  24.700  10.281  28.728  6.6624  -4.028765      12.25061  
1 1 1 7   56  23 o 50.211  4.2479  1399.09    228.851  873.584    506.216  1534.08    256.566  37.373  11.437  52.500  4.5572  -15.12738      12.31145  
1 1 1 7   56  24 o 80.858  3.4188  3587.50    299.414  3254.22    622.074  3687.99    341.583  74.664  7.8079  81.838  3.8536  -7.174103      8.707098  
1 1 1 7   56  25 o 22.703  7.5218  295.408    215.538  423.803    457.286  258.737    244.388  28.056  10.751  22.095  7.9737  5.961201       13.38509  
1 1 1 7   56  26 o 26.917  7.4527  451.145    224.691  146.237    456.961  548.372    258.040  23.263  10.016  29.466  7.9165  -6.202408      12.76683  
1 1 1 7   56  27 o 30.459  9.0404  620.753    319.824  0.0000     0.0000   620.753    319.824  ?       ?       30.459  9.0404  0.000000       9.040441  
1 1 1 7   56  28 o 24.579  9.1514  381.381    325.963  0.0000     0.0000   381.381    325.963  ?       ?       24.579  9.1514  0.000000       9.151395  
1 1 1 7   56  29 o 22.356  9.1019  275.944    346.488  0.0000     0.0000   275.944    346.488  ?       ?       22.356  9.1019  0.000000       9.101869  
1 1 1 7   56  30 o 20.196  8.7212  149.457    348.526  0.0000     0.0000   149.457    348.526  ?       ?       20.196  8.7212  0.000000       8.721223  
1 1 1 7   57  0  o 241.067 4.5297  31514.46   1182.71  32198.92   1673.81  30831.96   1671.42  243.510 6.3463  238.271 6.4765  5.238266       9.067552  
1 1 1 7   57  1  o 149.487 3.2491  12110.32   526.065  12013.00   744.328  12207.45   743.611  148.831 4.6174  150.033 4.5760  -1.201630      6.500837  
1 1 1 7   57  2  o 225.662 4.1515  27610.33   1014.70  28187.49   1435.68  27034.26   1434.32  227.878 5.8168  223.158 5.9342  4.720871       8.309642  
1 1 1 7   57  3  o 270.548 5.2036  39715.36   1524.83  40701.84   2333.62  38980.36   2014.32  273.551 7.8763  267.834 6.9437  5.717377       10.50007  
1 1 1 7   57  4  o 312.006 5.8879  52852.24   1989.73  52490.79   3059.15  53117.27   2619.54  310.394 9.0995  312.501 7.7393  -2.106384      11.94561  
1 1 1 7   57  5  o 144.381 3.2076  11298.01   501.596  11394.59   710.182  11201.86   708.549  144.941 4.5239  143.708 4.5522  1.232407       6.417752  
1 1 1 7   57  6  o 346.449 6.0263  65191.84   2261.31  65770.17   3199.13  64614.33   3196.82  347.480 8.5003  344.397 8.5702  3.083344       12.07072  
1 1 1 7   57  7  o 291.220 5.0953  46030.13   1607.17  46518.39   2274.74  45543.47   2271.02  292.442 7.1816  289.350 7.2465  3.092163       10.20231  
1 1 1 7   57  8  o 49.968  3.0713  1358.42    165.417  1351.70    251.706  1363.53    219.465  49.685  4.7346  49.973  4.0905  -0.2884140     6.256882  
1 1 1 7   57  9  o 189.778 3.7573  19532.15   772.299  18511.77   1099.21  20526.90   1085.32  184.604 5.4975  194.428 5.1538  -9.824127      7.535556  
1 1 1 7   57  10 o 232.886 4.2582  29431.67   1074.09  31933.26   2165.99  28615.91   1236.88  241.898 8.2671  229.550 4.9749  12.34773       9.648534  
1 1 1 7   57  11 o 200.530 4.0878  21824.44   887.840  21200.99   2231.06  21941.75   967.768  196.172 10.539  201.028 4.4447  -4.855560      11.43789  
1 1 1 7   57  12 o 122.395 2.9600  8123.74    392.396  8375.03    819.149  8048.91    447.022  124.002 6.0991  121.804 3.3884  2.197296       6.977118  
1 1 1 7   57  13 o 138.934 3.1676  10473.28   476.666  11696.97   952.888  10064.88   550.492  146.467 6.0066  136.148 3.7331  10.31874       7.072171  
1 1 1 7   57  14 o 57.863  2.2756  1815.31    142.612  2186.95    411.102  1764.47    152.055  62.991  6.1021  57.041  2.4612  5.950680       6.579718  
1 1 1 7   57  15 o 175.367 5.6059  16802.22   1064.80  17332.32   1375.74  16010.24   1681.58  177.624 7.1510  169.705 9.1827  7.918625       11.63869  
1 1 1 7   57  16 o 65.300  3.0539  2316.53    215.990  1959.12    502.577  2397.49    239.207  58.984  8.0791  66.327  3.3405  -7.342793      8.742444  
1 1 1 7   57  17 o 199.951 3.9322  21784.53   851.593  21054.73   1717.10  22022.60   980.701  194.625 8.1457  200.847 4.5082  -6.222336      9.309971  
1 1 1 7   57  18 o 58.856  2.4707  1881.21    157.502  2490.57    488.241  1810.43    166.398  66.772  6.8480  57.725  2.6614  9.046539       7.346962  
1 1 1 7   57  19 o 75.853  3.0381  3131.56    249.603  3314.40    548.888  3083.89    280.257  77.048  6.6423  75.220  3.4399  1.827118       7.480195  
1 1 1 7   57  20 o 76.664  3.1706  3202.84    263.274  3283.09    594.792  3183.29    293.602  76.297  7.2862  76.369  3.5495  -0.7255554E-01 8.104779  
1 1 1 7   57  21 o 83.564  2.8267  3803.90    255.843  2967.07    628.357  3970.19    280.113  71.854  8.2220  85.333  3.0307  -13.47997      8.762786  
1 1 1 7   57  22 o 66.174  3.6669  2406.24    261.792  2455.20    555.100  2392.23    296.881  65.123  8.0406  65.837  4.1850  -0.7146988     9.064547  
1 1 1 7   57  23 o 75.186  3.4027  3097.29    277.094  2621.94    593.713  3229.66    313.310  66.830  8.3870  76.674  3.7728  -9.843086      9.196447  
1 1 1 7   57  24 o 37.922  5.4443  820.778    217.202  512.601    480.903  899.754    243.447  30.217  11.142  39.586  5.8545  -9.369101      12.58657  
1 1 1 7   57  25 o 28.900  7.3376  508.552    230.093  207.307    466.662  605.309    264.476  24.764  10.367  31.373  7.8129  -6.608944      12.98169  
1 1 1 7   57  26 o 32.489  1.8332  577.531    64.246   0.0000     0.0000   577.531    64.246   ?       ?       32.489  1.8332  0.000000       1.833223  
1 1 1 7   57  27 o 17.035  7.8375  -134.5842  332.677  0.0000     0.0000   -134.5842  332.677  ?       ?       17.035  7.8375  0.000000       7.837475  
1 1 1 7   57  28 o 60.851  5.5909  2196.77    364.366  0.0000     0.0000   2196.77    364.366  ?       ?       60.851  5.5909  0.000000       5.590892  
1 1 1 7   57  29 o 13.101  6.3952  -427.7115  297.521  0.0000     0.0000   -427.7115  297.521  ?       ?       13.101  6.3952  0.000000       6.395214  
1 1 1 7   57  30 o 15.469  7.3498  -246.0309  334.401  0.0000     0.0000   -246.0309  334.401  ?       ?       15.469  7.3498  0.000000       7.349774  
1 1 1 7   58  0  o 124.989 3.0918  8465.91    418.554  8452.84    592.857  8478.90    590.998  124.850 4.3842  125.044 4.3637  -0.1930618     6.185708  
1 1 1 7   58  1  o 56.881  2.8631  1757.59    175.825  1637.49    252.585  1870.51    244.900  54.785  4.2910  58.611  3.8797  -3.826126      5.784899  
1 1 1 7   58  2  o 323.760 5.6619  56896.51   1985.44  56950.86   2808.52  56842.21   2807.16  323.542 8.0145  323.232 8.0183  0.3094788      11.33691  
1 1 1 7   58  3  o 257.756 4.6716  36037.85   1304.20  38370.63   1845.76  33711.79   1843.09  265.779 6.4118  249.071 6.8321  16.70804       9.369602  
1 1 1 7   58  4  o 298.710 5.1686  48420.23   1672.23  48148.48   2365.76  48691.59   2364.03  297.562 7.3405  299.243 7.2939  -1.681305      10.34810  
1 1 1 7   58  5  o 241.094 4.3143  31525.74   1126.59  32463.56   1594.39  30590.64   1592.08  244.481 6.0212  237.303 6.1943  7.177307       8.638479  
1 1 1 7   58  6  o 227.074 4.1548  27964.26   1021.84  28090.82   1446.18  27838.06   1444.03  227.423 5.8711  226.395 5.8890  1.027496       8.315615  
1 1 1 7   58  7  o 42.775  2.3440  994.358    108.187  811.806    123.523  1595.64    224.179  38.587  2.9786  54.109  3.8503  -15.52176      4.867936  
1 1 1 7   58  8  o 126.485 3.0240  8671.76    414.274  8683.92    594.540  8660.29    577.571  126.514 4.3388  126.348 4.2205  0.1660233      6.052947  
1 1 1 7   58  9  o 147.587 3.3515  11810.34   535.743  11851.47   791.526  11775.57   727.790  147.739 4.9465  147.294 4.5619  0.4449463      6.728996  
1 1 1 7   58  10 o 185.038 4.2221  18582.60   846.180  19799.36   1483.30  17995.58   1030.27  190.608 7.1848  181.987 5.2269  8.621399       8.884938  
1 1 1 7   58  11 o 108.425 2.8814  6374.01    338.378  6454.72    713.477  6350.58    384.354  108.721 6.0834  108.207 3.2795  0.5137405      6.911029  
1 1 1 7   58  12 o 160.408 3.4439  13962.82   598.334  12729.63   1217.67  14355.35   686.992  152.611 7.3667  162.601 3.9008  -9.990417      8.335785  
1 1 1 7   58  13 o 189.051 3.8750  19414.91   793.458  20478.50   1521.71  19017.76   929.873  193.415 7.2640  186.991 4.5913  6.423096       8.593293  
1 1 1 7   58  14 o 234.846 5.4969  30094.86   1398.21  30028.85   2227.60  30137.78   1796.09  233.208 8.8191  234.434 7.0736  -1.226059      11.30540  
1 1 1 7   58  15 o 83.048  4.3749  3767.16    392.128  3900.32    596.857  3666.04    520.131  84.056  6.6092  81.632  5.9231  2.423843       8.874938  
1 1 1 7   58  16 f 94.110  2.9446  4811.35    300.141  4886.49    645.062  4790.59    339.082  94.099  6.3666  93.865  3.3353  0.2337723      7.187331  
1 1 1 7   58  17 o 40.265  4.3227  894.706    185.570  788.809    428.943  919.090    205.829  36.815  10.334  40.738  4.7542  -3.923397      11.37540  
1 1 1 7   58  18 o 24.971  5.9990  357.066    160.223  409.761    399.577  346.970    174.899  28.577  10.209  24.619  6.4732  3.958277       12.08811  
1 1 1 7   58  19 o 107.113 3.0677  6246.00    355.895  6182.90    742.536  6264.82    405.507  105.410 6.5360  107.191 3.4928  -1.781082      7.410752  
1 1 1 7   58  20 o 75.103  3.1909  3074.95    259.562  3087.53    572.517  3071.69    291.210  73.930  7.2429  74.998  3.5850  -1.067543      8.081538  
1 1 1 7   58  21 o 55.661  4.0126  1707.17    240.284  2040.60    518.711  1616.07    271.128  59.343  8.2972  53.978  4.6840  5.365288       9.528006  
1 1 1 7   58  22 o 78.813  2.7791  3387.32    237.234  2905.51    610.517  3473.01    257.467  70.795  8.1083  79.762  2.9803  -8.966881      8.638648  
1 1 1 7   58  23 o 48.755  2.2814  1294.22    120.472  1138.53    505.254  1303.61    124.050  42.528  10.914  48.925  2.3410  -6.396568      11.16251  
1 1 1 7   58  24 o 68.904  2.7178  2595.14    202.829  2067.53    573.984  2670.42    216.817  58.104  9.4450  69.861  2.8654  -11.75644      9.870080  
1 1 1 7   58  25 o 18.604  1.5694  189.549    31.329   24.294     454.372  190.338    31.403   22.126  9.7477  18.643  1.5698  3.482788       9.873256  
1 1 1 7   58  26 o 33.190  9.0815  730.228    335.936  0.0000     0.0000   730.228    335.936  ?       ?       33.190  9.0815  0.000000       9.081455  
1 1 1 7   58  27 o 22.443  8.7415  271.984    305.993  0.0000     0.0000   271.984    305.993  ?       ?       22.443  8.7415  0.000000       8.741541  
1 1 1 7   58  28 o 28.434  8.8731  556.297    303.011  0.0000     0.0000   556.297    303.011  ?       ?       28.434  8.8731  0.000000       8.873096  
1 1 1 7   58  29 o 22.636  9.4021  279.829    379.525  0.0000     0.0000   279.829    379.525  ?       ?       22.636  9.4021  0.000000       9.402113  
1 1 1 7   59  0  o 105.193 2.8972  5996.24    330.087  5671.41    468.114  6317.48    465.525  102.268 4.2261  107.944 3.9817  -5.675903      5.806396  
1 1 1 7   59  1  o 255.846 4.6566  35505.50   1290.39  35708.14   1825.79  35303.25   1823.99  256.371 6.5753  254.910 6.6064  1.461502       9.320869  
1 1 1 7   59  2  o 170.040 3.6548  15674.07   673.113  15446.82   1000.57  15861.94   909.747  168.697 5.4761  170.987 4.9123  -2.289459      7.356528  
1 1 1 7   59  3  o 102.434 2.7787  5685.73    308.283  5804.89    428.277  5557.60    444.108  103.474 3.8214  101.239 4.0502  2.235069       5.568394  
1 1 1 7   59  4  o 206.158 3.9400  23045.54   879.760  23233.96   1243.38  22856.65   1244.96  206.872 5.5492  205.180 5.6021  1.691528       7.885253  
1 1 1 7   59  5  o 98.124  2.8513  5217.75    303.032  5199.89    429.433  5235.45    427.676  97.922  4.0490  98.257  4.0187  -0.3352814     5.704715  
1 1 1 7   59  6  o 153.545 3.4078  12780.68   566.728  12766.54   833.558  12792.83   772.831  153.369 5.0180  153.551 4.6469  -0.1819305     6.839110  
1 1 1 7   59  7  o 143.288 3.1853  11129.54   494.337  11371.28   703.745  10894.08   694.544  144.766 4.4882  141.694 4.5256  3.072433       6.373820  
1 1 1 7   59  8  o 220.483 4.1605  26373.82   993.549  25733.70   1408.16  27008.38   1402.04  217.583 5.9753  222.930 5.8066  -5.346695      8.331886  
1 1 1 7   59  9  o 117.085 2.9962  7431.85    379.965  7103.45    547.709  7736.55    527.562  114.399 4.4204  119.408 4.0791  -5.009224      6.014887  
1 1 1 7   59  10 o 194.537 4.3447  20546.28   915.449  21514.79   1602.37  20076.99   1115.40  198.587 7.4498  192.177 5.3587  6.410126       9.176856  
1 1 1 7   59  11 o 161.156 3.4089  14090.36   595.014  13422.29   1212.40  14302.32   682.915  156.810 7.1384  162.320 3.8844  -5.510513      8.126844  
1 1 1 7   59  12 o 149.080 3.1981  12058.92   516.392  14175.53   1058.72  11398.19   591.526  161.235 6.0625  144.884 3.7695  16.35083       7.138850  
1 1 1 7   59  13 o 81.102  2.7837  3568.32    244.524  3306.28    528.795  3639.59    275.780  77.532  6.3528  81.891  3.1093  -4.358459      7.072869  
1 1 1 7   59  14 o 57.289  3.5505  1790.30    219.225  2070.31    412.633  1680.18    258.767  61.183  6.3177  55.390  4.3482  5.793446       7.669447  
1 1 1 7   59  15 o 51.430  4.1971  1450.10    231.756  971.289    465.626  1607.78    267.206  40.859  10.473  54.109  4.6032  -13.24938      11.43992  
1 1 1 7   59  16 o 46.390  3.6915  1178.77    183.949  1293.07    443.465  1155.02    202.161  47.429  8.9611  45.854  4.1143  1.574440       9.860460  
1 1 1 7   59  17 o 88.344  2.6980  4239.95    258.157  3744.06    616.444  4345.42    284.287  81.998  7.0083  89.410  2.9356  -7.411667      7.598295  
1 1 1 7   59  18 o 57.160  3.4008  1786.06    209.591  1662.00    478.739  1815.47    233.119  53.832  8.4924  57.571  3.7592  -3.739586      9.287243  
1 1 1 7   59  19 o 49.972  2.2187  1356.25    120.086  1043.03    458.495  1379.32    124.430  41.848  10.207  50.391  2.2798  -8.542999      10.45829  
1 1 1 7   59  20 o 39.747  4.6485  879.431    196.339  1175.64    434.734  803.532    220.061  44.564  9.3071  37.749  5.5478  6.814941       10.83515  
1 1 1 7   59  21 o 125.120 3.2427  8549.83    439.443  7476.93    913.425  8872.94    501.265  114.801 7.3853  127.326 3.6348  -12.52495      8.231319  
1 1 1 7   59  22 o 30.969  6.3017  556.511    204.182  1198.66    467.405  405.070    226.985  44.267  9.9863  26.301  7.5636  17.96616       12.52731  
1 1 1 7   59  23 o 128.719 3.2929  9076.05    459.089  8423.88    944.297  9277.92    525.356  121.225 7.2247  129.932 3.7331  -8.706657      8.132214  
1 1 1 7   59  24 o 33.583  6.4002  662.435    224.298  843.755    481.351  612.145    253.502  36.068  11.172  31.870  7.4735  4.198532       13.44095  
1 1 1 7   59  25 o 22.010  7.4026  281.456    208.639  573.412    464.728  207.756    233.492  30.004  10.970  20.437  7.7176  9.566551       13.41252  
1 1 1 7   59  26 o 27.608  8.5902  492.234    284.235  0.0000     0.0000   492.234    284.235  ?       ?       27.608  8.5902  0.000000       8.590228  
1 1 1 7   59  27 o 50.015  6.0071  1493.90    318.906  0.0000     0.0000   1493.90    318.906  ?       ?       50.015  6.0071  0.000000       6.007140  
1 1 1 7   59  28 o 34.617  8.8795  826.944    334.541  0.0000     0.0000   826.944    334.541  ?       ?       34.617  8.8795  0.000000       8.879467  
1 1 1 7   59  29 o 27.093  9.5435  530.281    348.015  0.0000     0.0000   530.281    348.015  ?       ?       27.093  9.5435  0.000000       9.543459  
1 1 1 7   60  0  o 217.997 4.0168  25768.18   948.424  26751.94   1342.88  24789.12   1339.67  221.990 5.5851  213.672 5.7887  8.318054       8.043798  
1 1 1 7   60  1  o 231.789 4.2295  29136.21   1061.81  29116.69   1501.92  29155.72   1501.33  231.548 5.9887  231.704 5.9824  -0.1558228     8.464847  
1 1 1 7   60  2  o 238.462 4.4419  30843.44   1147.26  29816.65   1622.78  31869.45   1622.17  234.262 6.3957  242.218 6.1833  -7.955704      8.895939  
1 1 1 7   60  3  o 308.996 5.3714  51827.86   1797.66  53007.80   2543.75  50650.64   2540.80  312.143 7.5240  305.092 7.6890  7.050079       10.75786  
1 1 1 7   60  4  o 338.520 5.8992  62240.05   2162.95  63315.25   3060.03  61166.45   3057.73  340.951 8.2863  335.083 8.4251  5.867889       11.81719  
1 1 1 7   60  5  f 299.941 5.3268  48841.15   1730.49  49304.32   2448.21  48378.69   2446.35  300.992 7.5097  298.140 7.5758  2.851685       10.66715  
1 1 1 7   60  6  o 132.405 3.0550  9502.33    438.106  9492.57    618.711  9512.14    620.444  132.279 4.3184  132.415 4.3261  -0.1358643     6.112616  
1 1 1 7   60  7  o 292.918 5.1905  46593.14   1646.75  45566.07   2330.84  47616.70   2326.87  289.254 7.4398  295.730 7.2645  -6.475739      10.39831  
1 1 1 7   60  8  o 199.222 3.7490  21527.69   808.956  22355.54   1148.55  20712.72   1139.58  202.866 5.2272  195.251 5.3886  7.614807       7.507420  
1 1 1 7   60  9  o 146.080 3.2568  11571.80   515.296  11148.77   737.080  11976.21   720.675  143.277 4.7497  148.522 4.4800  -5.244965      6.529198  
1 1 1 7   60  10 o 158.132 3.8406  13570.99   657.795  14768.74   1161.26  13005.09   798.203  164.633 6.5124  154.711 4.7635  9.921829       8.068565  
1 1 1 7   60  11 o 100.302 2.8637  5456.00    311.106  5019.36    660.738  5580.37    352.642  95.723  6.4100  101.420 3.2103  -5.697037      7.168952  
1 1 1 7   60  12 o 52.176  2.9657  1481.69    166.906  1699.25    396.455  1434.82    184.008  55.361  6.7517  51.308  3.3292  4.052895       7.527891  
1 1 1 7   60  13 o 52.857  3.0522  1521.52    173.992  1934.71    395.150  1422.15    193.789  59.164  6.2616  51.046  3.5267  8.117805       7.186453  
1 1 1 7   60  14 o 150.132 3.7994  12258.54   617.816  13487.23   1104.64  11699.25   745.280  156.833 6.5030  146.502 4.6968  10.33067       8.021796  
1 1 1 7   60  15 o 114.525 3.5665  7134.20    442.393  6353.07    795.017  7484.56    532.441  107.227 6.8818  117.205 4.1943  -9.978592      8.059230  
1 1 1 7   60  16 o 61.537  3.1459  2064.05    208.974  2923.46    486.985  1870.07    231.358  72.661  6.2487  58.495  3.6703  14.16520       7.246917  
1 1 1 7   60  17 o 71.964  3.0181  2816.29    235.243  2409.40    531.823  2915.26    262.299  65.424  7.6495  73.187  3.3090  -7.762825      8.334538  
1 1 1 7   60  18 o 107.533 3.0664  6293.37    357.142  6294.21    743.031  6293.11    407.273  106.447 6.4755  107.450 3.4995  -1.002838      7.360583  
1 1 1 7   60  19 o 163.301 3.4836  14547.74   616.156  13941.51   1254.72  14740.38   707.314  157.899 7.3367  164.198 3.9772  -6.298569      8.345329  
1 1 1 7   60  20 o 59.332  2.4908  1914.81    160.062  1625.34    491.268  1949.19    169.300  52.702  8.9249  59.849  2.6117  -7.146538      9.299209  
1 1 1 7   60  21 o 46.588  4.3530  1203.78    217.105  1358.05    476.258  1163.31    243.924  47.593  9.5708  45.614  5.0204  1.978939       10.80762  
1 1 1 7   60  22 o 24.565  7.1128  351.111    200.117  55.983     460.432  419.846    222.202  23.484  10.081  26.716  7.4163  -3.232847      12.51537  
1 1 1 7   60  23 o 22.314  7.2708  280.206    201.700  -126.8976  462.630  375.750    224.122  21.280  9.5738  25.304  7.5811  -4.023706      12.21189  
1 1 1 7   60  24 o 27.487  6.9779  454.100    208.111  178.461    471.782  520.692    231.891  24.645  10.377  29.340  7.3210  -4.694393      12.69913  
1 1 1 7   60  25 o 14.749  6.7341  -110.9327  239.363  0.0000     0.0000   -110.9327  239.363  ?       ?       14.749  6.7341  0.000000       6.734125  
1 1 1 7   60  26 o 22.181  8.3835  268.670    275.681  0.0000     0.0000   268.670    275.681  ?       ?       22.181  8.3835  0.000000       8.383539  
1 1 1 7   60  27 o 19.404  7.8588  160.903    256.745  0.0000     0.0000   160.903    256.745  ?       ?       19.404  7.8588  0.000000       7.858843  
1 1 1 7   60  28 o 22.657  8.7444  306.464    304.036  0.0000     0.0000   306.464    304.036  ?       ?       22.657  8.7444  0.000000       8.744430  
1 1 1 7   60  29 f 42.997  8.1253  1236.19    364.535  0.0000     0.0000   1236.19    364.535  ?       ?       42.997  8.1253  0.000000       8.125340  
1 1 1 7   61  0  o 403.269 7.0175  88419.52   3065.12  85894.78   4335.29  90942.98   4334.18  396.633 10.092  408.216 9.8027  -11.58279      14.06887  
1 1 1 7   61  1  o 160.282 3.4905  13926.42   605.959  13783.50   895.583  14047.08   822.932  159.362 5.1886  160.909 4.7219  -1.546677      7.015519  
1 1 1 7   61  2  o 59.608  1.9739  1924.82    127.441  2126.14    146.568  1300.94    258.014  62.646  2.1601  48.713  4.9594  13.93320       5.409439  
1 1 1 7   61  3  o 207.456 4.1662  23341.52   936.125  24445.57   1414.65  22481.44   1248.61  212.121 6.1574  203.471 5.6657  8.650146       8.367378  
1 1 1 7   61  4  o 276.406 4.9925  41465.98   1494.63  40983.45   2114.72  41947.61   2112.74  274.482 7.1133  277.707 7.0241  -3.225372      9.996788  
1 1 1 7   61  5  o 180.893 3.6122  17742.65   707.729  17560.94   1001.22  17924.12   1000.54  179.851 5.1398  181.706 5.0839  -1.855118      7.229340  
1 1 1 7   61  6  o 41.001  3.3744  917.610    148.522  879.453    216.550  951.501    204.088  39.920  5.1268  41.619  4.6046  -1.699055      6.891076  
1 1 1 7   61  7  o 182.782 3.6296  18118.88   718.550  18895.78   1019.98  17353.45   1012.43  186.534 5.0485  178.741 5.2296  7.792953       7.268876  
1 1 1 7   61  8  o 180.484 3.6355  17669.21   710.678  17442.61   1009.17  17892.14   1000.98  179.172 5.2002  181.479 5.0925  -2.306351      7.278460  
1 1 1 7   61  9  o 178.322 3.6354  17252.19   702.156  16432.63   997.842  18056.04   988.224  173.857 5.2991  182.281 5.0055  -8.423584      7.289369  
1 1 1 7   61  10 o 300.057 6.1749  49058.25   2006.80  46775.31   3485.18  50190.62   2454.54  291.035 11.056  303.068 7.4776  -12.03275      13.34748  
1 1 1 7   61  11 o 192.572 3.7171  20135.54   775.297  21413.69   1570.61  19723.77   891.479  197.845 7.3295  190.505 4.3205  7.339249       8.508140  
1 1 1 7   61  12 o 166.137 3.4519  14987.76   621.145  15686.57   1262.94  14764.78   713.391  169.294 6.8876  164.822 3.9962  4.471771       7.962963  
1 1 1 7   61  13 o 117.934 2.9269  7549.41    373.871  7759.92    774.150  7485.38    426.964  118.979 6.0271  117.390 3.3581  1.588234       6.899423  
1 1 1 7   61  14 o 36.084  4.7716  722.299    181.913  865.463    434.184  691.817    200.345  38.650  10.217  35.178  5.4333  3.472481       11.57160  
1 1 1 7   61  15 o 27.993  6.5312  447.909    194.401  821.201    413.915  342.263    220.198  37.594  9.9936  24.799  7.5335  12.79454       12.51500  
1 1 1 7   61  16 o 31.836  2.1563  552.455    73.917   547.968    425.502  552.595    75.058   31.735  10.571  31.837  2.1900  -0.1017456     10.79554  
1 1 1 7   61  17 o 31.571  4.7410  557.361    157.109  445.349    412.470  576.370    169.918  29.441  10.388  32.049  5.0633  -2.607456      11.55593  
1 1 1 7   61  18 o 42.212  1.7033  966.483    77.876   617.774    427.180  978.471    79.203   32.941  10.568  42.472  1.7218  -9.530762      10.70710  
1 1 1 7   61  19 o 43.141  4.5266  1031.81    208.356  616.052    444.438  1148.92    235.884  32.862  10.797  45.471  4.8651  -12.60832      11.84241  
1 1 1 7   61  20 o 94.803  3.1963  4904.61    328.206  4174.13    661.852  5142.82    377.949  85.883  7.1811  96.980  3.5982  -11.09723      8.032105  
1 1 1 7   61  21 o 70.523  2.6318  2709.59    201.023  2367.47    535.107  2765.81    216.911  64.011  7.8849  71.220  2.8119  -7.209587      8.371328  
1 1 1 7   61  22 o 66.068  2.5189  2378.67    180.245  1672.53    552.183  2462.88    190.691  52.327  10.109  67.210  2.6195  -14.88316      10.44265  
1 1 1 7   61  23 o 40.478  1.6748  890.298    73.428   270.189    482.272  905.014    74.295   26.445  10.749  40.811  1.6808  -14.36578      10.87996  
1 1 1 7   61  24 f 33.323  1.9321  606.912    69.437   688.643    478.580  605.154    70.179   32.601  11.209  33.271  1.9561  -0.6698074     11.37801  
1 1 1 7   61  25 o 47.898  2.4810  1261.49    128.272  0.0000     0.0000   1261.49    128.272  ?       ?       47.898  2.4810  0.000000       2.481041  
1 1 1 7   61  26 o 17.670  7.8072  -5.0328    293.530  0.0000     0.0000   -5.0328    293.530  ?       ?       17.670  7.8072  0.000000       7.807164  
1 1 1 7   61  27 o 17.708  7.5221  78.707     251.502  0.0000     0.0000   78.707     251.502  ?       ?       17.708  7.5221  0.000000       7.522135  
1 1 1 7   61  28 o 30.834  9.2865  678.621    335.651  0.0000     0.0000   678.621    335.651  ?       ?       30.834  9.2865  0.000000       9.286506  
1 1 1 7   61  29 o 27.289  9.2298  532.621    324.362  0.0000     0.0000   532.621    324.362  ?       ?       27.289  9.2298  0.000000       9.229781  
1 1 1 7   62  0  o 81.777  2.8773  3624.10    254.849  3547.27    366.392  3696.12    354.713  80.764  4.2030  82.559  3.9668  -1.795074      5.779351  
1 1 1 7   62  1  o 367.454 6.4713  73382.58   2575.51  71753.30   3643.12  75010.43   3641.51  362.672 9.2745  370.873 9.0654  -8.200287      12.96908  
1 1 1 7   62  2  o 344.060 6.0642  64314.17   2259.84  63277.42   3196.56  65350.06   3195.24  340.707 8.6623  346.279 8.5194  -5.571930      12.14967  
1 1 1 7   62  3  o 313.068 5.4848  53224.01   1859.82  54275.81   2631.73  52174.70   2628.63  315.727 7.6959  309.524 7.8409  6.203186       10.98665  
1 1 1 7   62  4  o 165.886 3.4145  14919.24   613.488  15257.50   866.808  14579.74   868.401  167.667 4.7731  163.892 4.8921  3.775330       6.834859  
1 1 1 7   62  5  o 97.663  2.8380  5169.59    300.201  5134.92    426.035  5203.78    423.078  97.295  4.0428  97.947  3.9880  -0.6523514     5.678818  
1 1 1 7   62  6  o 67.701  2.4001  2483.74    175.995  2384.71    219.812  2660.59    293.758  66.325  3.0599  69.926  3.8941  -3.601318      4.952455  
1 1 1 7   62  7  o 71.684  2.8329  2785.50    219.949  2951.29    323.648  2643.22    299.827  73.637  4.0738  69.683  3.9891  3.953842       5.701662  
1 1 1 7   62  8  o 75.188  2.8868  3064.91    235.092  2970.15    344.543  3147.47    321.585  73.839  4.3270  76.058  3.9170  -2.218452      5.836610  
1 1 1 7   62  9  o 83.997  2.6005  3824.85    236.586  3824.42    376.077  3825.14    304.355  83.926  4.1373  83.971  3.3464  -0.4578400E-01 5.321219  
1 1 1 7   62  10 o 97.717  3.1914  5180.44    337.768  6432.34    623.870  4661.32    401.741  108.713 5.2984  92.644  4.0037  16.06936       6.640960  
1 1 1 7   62  11 o 54.972  2.9244  1644.07    173.497  2127.47    413.989  1541.08    191.087  62.123  6.2369  53.180  3.3344  8.943562       7.072262  
1 1 1 7   62  12 o 138.483 3.1760  10411.53   476.370  9308.14    977.275  10755.41   545.574  130.147 6.9581  140.704 3.5800  -10.55733      7.825027  
1 1 1 7   62  13 o 131.109 3.0918  9334.97    439.048  10643.35   934.515  8964.38    497.355  139.414 6.1888  128.420 3.5757  10.99440       7.147559  
1 1 1 7   62  14 o 75.807  3.5944  3125.70    295.130  3537.02    560.144  2967.63    347.237  79.992  6.5220  73.662  4.3718  6.329308       7.851691  
1 1 1 7   62  15 o 38.429  5.1314  821.605    208.245  1033.51    433.092  757.880    237.502  42.143  9.6907  36.658  6.2030  5.484322       11.50589  
1 1 1 7   62  16 o 27.329  5.4717  423.892    156.311  529.400    411.915  406.143    168.948  31.187  10.402  26.663  5.9957  4.523821       12.00581  
1 1 1 7   62  17 o 27.218  5.3047  420.411    150.761  111.314    405.192  470.078    162.423  23.534  9.7399  28.799  5.4057  -5.265097      11.13940  
1 1 1 7   62  18 o 57.519  2.2809  1797.04    142.098  2312.45    481.301  1747.82    148.728  64.086  7.0506  56.715  2.4211  7.370949       7.454689  
1 1 1 7   62  19 o 14.884  6.4299  -14.5822   189.615  -352.3651  395.401  86.297     216.082  17.692  8.2771  17.878  7.2206  -0.1852531     10.98394  
1 1 1 7   62  20 o 14.973  6.2993  22.500     173.651  193.836    395.008  -18.5456   193.336  24.274  9.7771  14.921  6.4692  9.353168       11.72355  
1 1 1 7   62  21 o 45.722  4.5888  1164.52    224.178  494.357    454.898  1379.49    257.635  30.163  10.880  49.724  4.8453  -19.56099      11.90982  
1 1 1 7   62  22 o 69.127  3.6289  2629.25    270.753  1891.82    555.466  2859.06    310.085  56.029  9.4921  71.974  3.9934  -15.94481      10.29788  
1 1 1 7   62  23 o 51.723  2.4156  1459.50    135.324  1264.88    523.998  1473.41    140.075  44.289  10.979  51.957  2.4891  -7.668221      11.25715  
1 1 1 7   62  24 o 29.178  7.1111  518.921    222.680  808.780    482.343  440.409    251.033  34.595  11.242  26.744  8.0258  7.850479       13.81305  
1 1 1 7   62  25 o 24.637  8.4515  370.405    272.022  0.0000     0.0000   370.405    272.022  ?       ?       24.637  8.4515  0.000000       8.451528  
1 1 1 7   62  26 o 38.058  7.5283  911.683    299.332  0.0000     0.0000   911.683    299.332  ?       ?       38.058  7.5283  0.000000       7.528323  
1 1 1 7   62  27 o 40.520  7.9838  1066.43    337.925  0.0000     0.0000   1066.43    337.925  ?       ?       40.520  7.9838  0.000000       7.983796  
1 1 1 7   62  28 o 19.197  8.1159  131.630    290.534  0.0000     0.0000   131.630    290.534  ?       ?       19.197  8.1159  0.000000       8.115924  
1 1 1 7   63  0  o 62.610  2.9337  2124.53    198.944  1964.83    290.232  2266.07    273.236  60.011  4.4980  64.522  3.9285  -4.511410      5.972022  
1 1 1 7   63  1  o 191.236 3.7002  19830.39   766.411  19138.18   1084.42  20521.20   1083.32  187.741 5.3329  194.424 5.1444  -6.683014      7.409825  
1 1 1 7   63  2  o 227.529 4.2090  28083.07   1037.25  27303.51   1467.34  28861.68   1466.44  224.149 6.0440  230.479 5.8744  -6.329269      8.428416  
1 1 1 7   63  3  o 391.154 7.1894  83277.63   3045.86  86249.73   4707.88  81138.00   3994.50  396.754 10.956  385.348 9.5706  11.40607       14.54718  
1 1 1 7   63  4  o 119.606 2.9364  7754.09    380.404  8094.61    539.432  7417.23    536.524  122.154 4.0772  116.923 4.2366  5.230759       5.879804  
1 1 1 7   63  5  o 184.961 3.8715  18557.24   775.588  18447.22   1160.42  18646.06   1042.69  184.223 5.8157  185.282 5.1958  -1.059143      7.798648  
1 1 1 7   63  6  o 209.575 4.0224  23831.60   913.052  23209.23   1292.38  24451.81   1290.13  206.610 5.7752  212.092 5.6161  -5.481369      8.055688  
1 1 1 7   63  7  o 26.727  4.9362  400.370    137.630  367.836    209.182  425.203    182.759  25.635  7.2241  27.407  6.2899  -1.772533      9.578635  
1 1 1 7   63  8  o 219.469 4.1464  26151.08   985.623  25795.22   1397.69  26503.09   1390.11  217.683 5.9281  220.671 5.8161  -2.987946      8.304774  
1 1 1 7   63  9  o 109.721 2.9266  6529.12    347.790  5977.84    500.781  7042.76    483.381  104.891 4.4080  113.890 3.9186  -8.999420      5.897974  
1 1 1 7   63  10 o 171.485 3.5620  15964.86   661.602  15557.61   942.297  16360.82   929.135  169.058 5.1462  173.401 4.9472  -4.342880      7.138449  
1 1 1 7   63  11 f 119.482 2.9390  7746.44    380.339  7521.71    792.699  7813.64    433.495  117.163 6.2694  119.965 3.3363  -2.801857      7.101827  
1 1 1 7   63  12 o 51.256  2.8574  1430.31    158.003  2391.60    390.191  1241.77    172.804  65.961  5.5121  47.695  3.3668  18.26648       6.458969  
1 1 1 7   63  13 o 125.939 3.6219  8624.45    494.041  8344.23    896.886  8746.51    591.942  123.079 6.7537  126.719 4.3129  -3.639565      8.013353  
1 1 1 7   63  14 o 78.531  4.7442  3378.54    401.635  3365.35    579.711  3390.72    556.968  77.871  6.9462  78.249  6.6342  -0.3774872     9.605338  
1 1 1 7   63  15 o 139.606 3.9207  10619.49   592.842  9957.25    1022.84  10954.51   727.506  134.091 7.0676  141.591 4.7439  -7.499329      8.512049  
1 1 1 7   63  16 o 111.913 3.0181  6811.34    365.838  6485.08    776.138  6904.53    414.809  108.132 6.6593  112.612 3.4009  -4.480087      7.477479  
1 1 1 7   63  17 o 43.423  3.7969  1036.47    176.778  1396.34    441.447  967.736    192.922  49.200  8.5971  41.853  4.3178  7.346188       9.620462  
1 1 1 7   63  18 o 84.851  3.1995  3923.01    294.037  3119.54    603.192  4173.44    336.758  74.269  7.6059  87.454  3.5552  -13.18566      8.395769  
1 1 1 7   63  19 o 30.466  1.9439  506.033    63.812   591.332    423.909  504.055    64.548   32.118  10.544  30.404  1.9707  1.714308       10.72682  
1 1 1 7   63  20 o 82.409  3.2501  3709.15    290.093  3291.35    597.389  3838.07    331.846  76.015  7.3475  83.735  3.6590  -7.719612      8.208140  
1 1 1 7   63  21 o 52.946  4.0008  1549.06    227.734  1250.24    476.892  1637.33    259.198  45.247  9.9974  54.317  4.4447  -9.069805      10.94091  
1 1 1 7   63  22 o 18.806  7.0355  160.226    193.110  -129.1011  409.130  243.160    219.045  19.992  8.9979  21.537  7.5728  -1.544567      11.76054  
1 1 1 7   63  23 o 75.236  3.4051  3114.24    277.479  2559.32    610.875  3258.50    311.465  64.884  8.9291  76.834  3.7427  -11.95002      9.681726  
1 1 1 7   63  24 o 18.593  7.1500  157.224    202.707  339.076    465.476  114.665    225.181  26.218  10.595  18.172  7.3599  8.046490       12.90020  
1 1 1 7   63  25 o 25.362  8.8612  396.436    299.697  0.0000     0.0000   396.436    299.697  ?       ?       25.362  8.8612  0.000000       8.861250  
1 1 1 7   63  26 o 19.799  8.0762  159.111    273.443  0.0000     0.0000   159.111    273.443  ?       ?       19.799  8.0762  0.000000       8.076208  
1 1 1 7   63  27 o 22.080  8.4798  279.412    284.881  0.0000     0.0000   279.412    284.881  ?       ?       22.080  8.4798  0.000000       8.479753  
1 1 1 7   63  28 o 23.399  9.0242  340.294    323.608  0.0000     0.0000   340.294    323.608  ?       ?       23.399  9.0242  0.000000       9.024186  
1 1 1 7   64  0  o 33.749  4.1085  626.976    147.086  469.293    217.420  760.036    199.725  28.798  7.0316  37.069  5.1104  -8.270733      8.692485  
1 1 1 7   64  1  o 352.852 6.1221  67676.17   2339.72  67634.59   3310.11  67717.69   3307.62  352.086 8.6801  352.306 8.6681  -0.2197876     12.26704  
1 1 1 7   64  2  f 84.237  2.7999  3845.84    255.454  3838.12    361.121  3853.58    361.413  84.119  3.9636  84.288  3.9588  -0.1693878     5.602007  
1 1 1 7   64  3  o 90.414  2.8313  4430.80    277.260  5223.81    397.780  3681.50    386.665  98.141  3.7422  82.253  4.3557  15.88825       5.742494  
1 1 1 7   64  4  f 327.897 6.1249  58469.92   2175.23  58966.46   3348.59  58107.43   2861.08  328.354 9.4156  326.371 8.0937  1.982391       12.41622  
1 1 1 7   64  5  o 91.243  2.8027  4512.85    276.979  4504.52    393.504  4521.04    389.937  91.115  3.9874  91.284  3.9439  -0.1688385     5.608365  
1 1 1 7   64  6  o 150.326 3.2952  12255.23   536.522  12175.00   760.350  12334.80   757.174  149.724 4.6887  150.708 4.6386  -0.9839783     6.595496  
1 1 1 7   64  7  o 144.980 3.2158  11400.13   504.981  11209.53   717.580  11587.14   710.771  143.650 4.6121  146.061 4.4929  -2.410965      6.438729  
1 1 1 7   64  8  o 45.699  3.3364  1139.06    164.001  868.820    247.067  1351.92    219.277  39.505  5.9596  49.726  4.1081  -10.22151      7.238303  
1 1 1 7   64  9  o 100.303 2.8457  5456.63    309.152  5246.46    447.587  5648.37    427.516  98.265  4.2054  101.985 3.8703  -3.720032      5.715325  
1 1 1 7   64  10 o 156.324 3.5049  13269.09   593.442  13131.87   883.271  13381.99   801.222  155.259 5.2525  156.820 4.7172  -1.561325      7.059793  
1 1 1 7   64  11 o 44.600  3.8186  1089.03    182.687  589.115    375.289  1244.28    209.139  32.454  9.8297  47.660  4.0911  -15.20652      10.64706  
1 1 1 7   64  12 o 88.301  2.7979  4232.20    267.594  5027.78    620.834  4050.68    296.555  95.666  6.0224  86.359  3.1705  9.306526       6.806001  
1 1 1 7   64  13 o 148.469 3.8284  11995.49   615.639  12231.82   1091.42  11885.20   745.574  149.163 6.7555  147.612 4.6634  1.551224       8.208778  
1 1 1 7   64  14 o 143.752 3.8213  11251.58   594.969  11072.13   1057.86  11334.61   719.564  141.745 6.8905  144.105 4.6102  -2.360321      8.290535  
1 1 1 7   64  15 o 57.729  2.0890  1808.10    130.616  1769.96    477.422  1811.18    135.797  55.863  8.1290  57.774  2.1701  -1.910900      8.413713  
1 1 1 7   64  16 o 85.474  2.9733  3973.53    275.264  4073.65    603.166  3947.20    309.358  85.603  6.5553  85.140  3.3547  0.4625626      7.363807  
1 1 1 7   64  17 o 122.626 3.1375  8187.25    416.709  8047.07    860.566  8230.18    476.270  120.292 6.6307  122.848 3.5794  -2.556229      7.535118  
1 1 1 7   64  18 o 32.971  5.7801  617.616    198.888  1142.13    427.116  472.396    224.740  44.014  9.2532  28.525  7.2568  15.48923       11.75937  
1 1 1 7   64  19 o 20.861  6.8366  236.084    178.236  -225.9627  408.519  344.716    198.084  19.228  8.7864  24.489  7.0724  -5.260645      11.27921  
1 1 1 7   64  20 o 57.512  2.5130  1800.80    156.536  1217.57    493.399  1866.08    165.064  44.633  10.399  58.533  2.6036  -13.90007      10.72023  
1 1 1 7   64  21 o 27.861  7.3227  457.574    223.874  670.983    425.168  375.705    263.337  33.339  10.527  25.680  8.3034  7.659353       13.40748  
1 1 1 7   64  22 o 41.528  4.6560  968.046    205.814  1075.62    451.732  939.865    231.206  41.453  10.144  40.675  5.3801  0.7783852      11.48240  
1 1 1 7   64  23 o 22.023  7.1005  280.296    192.667  52.146     449.358  331.686    213.265  22.579  9.8262  23.708  7.4514  -1.129206      12.33201  
1 1 1 7   64  24 o 68.155  4.1674  2609.61    306.153  0.0000     0.0000   2609.61    306.153  ?       ?       68.155  4.1674  0.000000       4.167394  
1 1 1 7   64  25 o 37.169  7.5572  863.180    293.872  0.0000     0.0000   863.180    293.872  ?       ?       37.169  7.5572  0.000000       7.557183  
1 1 1 7   64  26 o 16.552  7.3851  -30.4858   269.166  0.0000     0.0000   -30.4858   269.166  ?       ?       16.552  7.3851  0.000000       7.385071  
1 1 1 7   64  27 o 22.517  8.5428  301.212    286.943  0.0000     0.0000   301.212    286.943  ?       ?       22.517  8.5428  0.000000       8.542780  
1 1 1 7   64  28 o 22.389  8.3265  309.859    269.702  0.0000     0.0000   309.859    269.702  ?       ?       22.389  8.3265  0.000000       8.326530  
1 1 1 7   65  0  o 217.009 3.9802  25546.15   935.509  26895.30   1324.40  24202.66   1321.62  222.496 5.4958  211.028 5.7822  11.46744       7.977324  
1 1 1 7   65  1  o 45.901  3.2068  1147.82    158.425  996.768    225.361  1295.39    222.754  42.556  4.9836  48.674  4.2684  -6.118015      6.561675  
1 1 1 7   65  2  o 183.699 3.6309  18301.71   722.430  17932.28   1021.27  18671.72   1022.07  181.697 5.1894  185.416 5.0894  -3.718887      7.268557  
1 1 1 7   65  3  o 72.351  2.5503  2837.01    199.850  2687.34    257.971  3061.66    316.054  70.397  3.3834  75.022  3.9030  -4.625465      5.165348  
1 1 1 7   65  4  o 27.209  4.6174  413.090    131.209  479.554    188.303  350.366    182.929  29.145  6.1580  24.936  6.6507  4.208563       9.063845  
1 1 1 7   65  5  o 142.650 3.0880  11033.95   477.112  11181.78   676.023  10887.25   673.461  143.514 4.3491  141.608 4.3909  1.906113       6.180180  
1 1 1 7   65  6  o 122.826 2.9628  8180.35    394.151  8278.60    560.782  8084.43    554.104  123.483 4.1929  122.026 4.1925  1.456635       5.929370  
1 1 1 7   65  7  o 75.009  2.7620  3050.73    224.393  2898.31    324.122  3191.04    310.964  72.941  4.1195  76.675  3.7444  -3.734207      5.566995  
1 1 1 7   65  8  o 221.691 4.4197  26709.77   1061.23  25336.80   1611.49  27761.14   1410.19  215.370 6.9083  225.732 5.7678  -10.36194      8.999616  
1 1 1 7   65  9  o 339.445 5.9513  62854.12   2188.03  61097.79   3096.46  64605.65   3092.22  333.372 8.5756  342.956 8.3246  -9.584167      11.95155  
1 1 1 7   65  10 o 68.357  2.8746  2535.47    212.832  2236.89    318.098  2777.47    286.375  63.942  4.6243  71.402  3.7158  -7.459785      5.932213  
1 1 1 7   65  11 o 54.153  3.4692  1599.85    202.410  1982.21    407.532  1474.64    233.208  59.838  6.3867  51.892  4.1849  7.946293       7.635661  
1 1 1 7   65  12 o 156.270 3.3160  13270.05   561.263  14193.03   1166.69  12992.12   640.214  160.772 6.7000  154.538 3.8249  6.233780       7.714929  
1 1 1 7   65  13 o 64.740  3.8825  2289.85    270.983  2061.38    515.487  2377.09    318.549  60.516  8.0655  65.870  4.4917  -5.354813      9.231895  
1 1 1 7   65  14 f 131.997 3.6575  9484.78    522.904  9599.78    937.530  9432.86    629.995  132.037 6.5557  131.477 4.4240  0.5608063      7.908800  
1 1 1 7   65  15 f 110.364 2.9434  6621.90    351.839  6350.54    678.810  6721.58    411.417  107.312 5.8624  111.117 3.4185  -3.805145      6.786330  
1 1 1 7   65  16 f 81.332  3.1153  3599.85    274.430  3381.77    590.269  3660.00    309.968  77.748  7.0874  81.958  3.4918  -4.209892      7.900924  
1 1 1 7   65  17 o 75.528  2.6887  3102.05    219.945  3235.14    568.575  3078.64    238.514  75.943  6.9909  75.214  2.9278  0.7294617      7.579208  
1 1 1 7   65  18 o 29.704  7.3798  513.791    236.370  813.468    426.629  381.058    283.932  36.894  10.289  26.269  8.6298  10.62530       13.42869  
1 1 1 7   65  19 o 55.460  3.9309  1693.44    234.595  809.597    484.325  1964.38    268.152  36.625  11.183  59.692  4.1738  -23.06703      11.93669  
1 1 1 7   65  20 o 87.297  2.9016  4157.64    274.354  4114.55    627.447  4167.82    305.062  85.175  6.8595  87.328  3.2253  -2.152763      7.579904  
1 1 1 7   65  21 o 64.041  2.6981  2236.97    187.150  1867.76    526.110  2290.46    200.247  56.015  8.9747  64.775  2.8542  -8.759964      9.417626  
1 1 1 7   65  22 o 51.398  4.1528  1469.59    229.208  1160.58    477.110  1562.31    261.341  42.808  10.394  52.844  4.6123  -10.03585      11.37153  
1 1 1 7   65  23 o 31.908  6.5979  608.640    220.493  680.899    437.834  584.088    255.218  32.347  10.721  30.823  7.6744  1.523937       13.18446  
1 1 1 7   65  24 o 7.2417  2.7651  20.045     30.184   0.0000     0.0000   20.045     30.184   ?       ?       7.2417  2.7651  0.000000       2.765138  
1 1 1 7   65  25 o 22.962  8.7302  291.548    300.067  0.0000     0.0000   291.548    300.067  ?       ?       22.962  8.7302  0.000000       8.730151  
1 1 1 7   65  26 o 17.025  7.5184  -0.4684    271.905  0.0000     0.0000   -0.4684    271.905  ?       ?       17.025  7.5184  0.000000       7.518400  
1 1 1 7   65  27 o 16.093  7.3037  -64.4683   276.194  0.0000     0.0000   -64.4683   276.194  ?       ?       16.093  7.3037  0.000000       7.303657  
1 1 1 7   65  28 o 19.079  7.8591  153.294    262.130  0.0000     0.0000   153.294    262.130  ?       ?       19.079  7.8591  0.000000       7.859084  
1 1 1 7   66  0  o 69.721  2.3821  2634.27    179.888  2522.36    223.712  2839.00    302.596  68.211  3.0281  72.236  3.8818  -4.025963      4.923161  
1 1 1 7   66  1  o 381.649 7.0834  79350.90   2928.03  79217.70   4523.61  79446.95   3841.28  379.744 10.998  381.060 9.3071  -1.316711      14.40776  
1 1 1 7   66  2  o 258.219 4.6677  36205.46   1305.45  36265.69   1846.62  36145.28   1845.76  258.089 6.6060  257.659 6.6139  0.4304504      9.347897  
1 1 1 7   66  3  o 182.003 3.5646  17968.17   702.677  18446.76   996.781  17495.38   990.719  184.267 4.9944  179.441 5.0975  4.826538       7.136424  
1 1 1 7   66  4  o 151.044 3.3186  12373.54   542.917  12340.60   770.269  12406.06   765.355  150.727 4.7182  151.131 4.6756  -0.4033356     6.642540  
1 1 1 7   66  5  o 158.210 3.3931  13578.24   581.433  13315.67   823.809  13838.85   820.741  156.533 4.8590  159.591 4.7482  -3.057968      6.793767  
1 1 1 7   66  6  o 69.090  2.7635  2588.29    206.798  2454.71    297.884  2712.56    287.316  67.108  4.1182  70.592  3.7715  -3.483925      5.584205  
1 1 1 7   66  7  o 192.614 3.7732  20142.81   787.173  19521.31   1114.78  20760.85   1111.69  189.361 5.4354  195.314 5.2551  -5.952850      7.560346  
1 1 1 7   66  8  o 213.171 4.0833  24691.16   942.769  24139.28   1336.37  25237.97   1330.21  210.404 5.8641  215.178 5.7076  -4.773636      8.183161  
1 1 1 7   66  9  o 151.873 3.3722  12523.56   554.711  12215.51   819.633  12783.89   753.492  149.752 5.0533  153.283 4.5385  -3.530258      6.792217  
1 1 1 7   66  10 o 103.529 2.8950  5817.12    324.624  5528.55    469.773  6080.84    449.100  100.796 4.3031  105.754 3.9208  -4.957901      5.821437  
1 1 1 7   66  11 o 36.537  4.4733  737.880    173.327  743.660    440.154  736.819    188.562  36.101  10.576  36.437  4.9024  -0.3353348     11.65723  
1 1 1 7   66  12 o 78.670  3.4142  3364.61    290.914  3619.79    564.927  3272.53    339.372  80.943  6.4986  77.420  4.0613  3.522919       7.663303  
1 1 1 7   66  13 o 162.550 3.9668  14391.42   698.388  15397.56   1230.25  13913.01   848.330  167.216 6.7928  159.584 4.9080  7.632050       8.380364  
1 1 1 7   66  14 o 151.366 3.8171  12482.56   625.801  12571.80   1109.80  12440.96   757.765  150.931 6.7888  150.898 4.6364  0.3253174E-01  8.220958  
1 1 1 7   66  15 o 104.786 3.0307  5972.19    343.972  4979.00    730.797  6254.84    389.857  94.481  7.1955  107.185 3.3582  -12.70364      7.940547  
1 1 1 7   66  16 f 105.473 3.0602  6054.22    349.592  5426.46    736.536  6236.77    397.183  98.634  6.9386  106.985 3.4277  -8.350861      7.739080  
1 1 1 7   66  17 o 143.258 3.2747  11186.08   508.117  10412.06   1040.84  11428.26   582.206  136.452 7.0669  144.667 3.7157  -8.214935      7.984164  
1 1 1 7   66  18 o 44.862  4.1721  1112.34    200.402  891.557    461.922  1163.53    222.424  38.433  10.702  45.808  4.5429  -7.375156      11.62593  
1 1 1 7   66  19 o 36.350  5.0132  742.692    192.122  606.752    441.982  774.362    213.331  32.378  10.773  37.001  5.4896  -4.623581      12.09129  
1 1 1 7   66  20 o 74.770  3.3546  3058.28    271.670  2045.99    564.096  3363.97    309.987  58.741  9.1655  78.344  3.6531  -19.60297      9.866695  
1 1 1 7   66  21 o 65.881  2.7460  2369.08    195.944  1727.85    534.515  2468.63    210.605  53.367  9.6004  67.222  2.8926  -13.85571      10.02670  
1 1 1 7   66  22 o 48.178  2.2219  1265.26    115.944  1008.36    469.946  1281.91    119.642  39.498  10.714  48.486  2.2783  -8.987133      10.95323  
1 1 1 7   66  23 o 18.915  1.8938  196.898    38.277   188.282    425.140  196.968    38.434   23.587  9.8864  18.917  1.9015  4.670092       10.06757  
1 1 1 7   66  24 o 48.605  6.2104  1396.48    319.471  0.0000     0.0000   1396.48    319.471  ?       ?       48.605  6.2104  0.000000       6.210423  
1 1 1 7   66  25 o 18.181  7.7354  72.086     266.747  0.0000     0.0000   72.086     266.747  ?       ?       18.181  7.7354  0.000000       7.735422  
1 1 1 7   66  26 o 48.701  6.8308  1460.88    350.402  0.0000     0.0000   1460.88    350.402  ?       ?       48.701  6.8308  0.000000       6.830802  
1 1 1 7   66  27 o 32.048  8.5516  700.805    302.345  0.0000     0.0000   700.805    302.345  ?       ?       32.048  8.5516  0.000000       8.551601  
1 1 1 7   67  0  o 356.802 6.1606  69281.80   2380.78  70173.70   3368.61  68391.67   3365.25  358.232 8.6819  353.612 8.7866  4.619141       12.35233  
1 1 1 7   67  1  o 170.567 3.4889  15780.63   644.540  15872.67   912.663  15689.05   910.377  170.928 4.9298  169.934 4.9462  0.9933167      6.983368  
1 1 1 7   67  2  o 243.834 4.5232  32287.44   1194.57  31824.00   1690.20  32749.98   1688.55  241.730 6.4556  245.243 6.3569  -3.512527      9.060119  
1 1 1 7   67  3  o 83.948  2.7610  3820.63    251.040  4011.29    357.595  3635.35    352.508  85.974  3.8402  81.839  3.9768  4.134102       5.528327  
1 1 1 7   67  4  o 337.207 5.8120  61896.04   2122.71  63345.27   3003.84  60450.43   3000.08  340.290 8.1500  332.347 8.3343  7.942627       11.65691  
1 1 1 7   67  5  o 32.078  3.8563  566.619    131.298  587.021    194.551  549.555    177.928  32.358  5.7624  31.335  5.4399  1.023134       7.924518  
1 1 1 7   67  6  o 152.961 3.2733  12694.88   542.298  12589.78   769.670  12798.49   764.209  152.176 4.6697  153.441 4.5983  -1.265213      6.553675  
1 1 1 7   67  7  o 115.451 2.9426  7230.64    367.956  6975.24    522.917  7481.13    517.857  113.288 4.2617  117.342 4.0746  -4.054306      5.896130  
1 1 1 7   67  8  o 143.659 3.2014  11201.98   498.132  11087.76   708.716  11313.49   700.288  142.755 4.5836  144.215 4.4833  -1.460266      6.411673  
1 1 1 7   67  9  o 64.235  2.8672  2239.10    199.479  2277.01    297.342  2208.07    268.996  64.556  4.2768  63.612  3.9234  0.9438934      5.803777  
1 1 1 7   67  10 o 122.159 3.0715  8103.02    406.390  7071.93    583.036  9077.33    566.754  113.916 4.7254  129.168 4.0511  -15.25217      6.224192  
1 1 1 7   67  11 o 187.508 4.2983  19151.20   872.954  20059.16   1544.17  18724.73   1058.29  190.790 7.4725  185.137 5.2777  5.653015       9.148368  
1 1 1 7   67  12 o 92.612  3.1260  4660.70    313.569  4643.11    476.232  4674.16    416.628  92.106  4.7903  92.626  4.1528  -0.5202026     6.339785  
1 1 1 7   67  13 o 115.012 4.3312  7215.60    539.541  7061.81    739.641  7390.50    788.779  113.237 6.0525  115.765 6.3147  -2.527649      8.746905  
1 1 1 7   67  14 o 82.477  2.9627  3698.13    264.659  3989.55    589.623  3624.60    296.171  84.818  6.4670  81.609  3.3507  3.209457       7.283472  
1 1 1 7   67  15 o 54.214  3.5603  1608.36    207.898  2150.96    485.776  1486.70    230.029  61.795  7.4055  52.021  4.1161  9.773319       8.472514  
1 1 1 7   67  16 o 12.788  5.7789  -88.6915   170.740  223.940    397.797  -159.2922  189.038  25.095  9.9091  12.542  5.8190  12.55270       11.49135  
1 1 1 7   67  17 o 63.985  3.3745  2239.19    233.031  1601.07    521.376  2398.49    260.498  52.186  9.5770  66.174  3.6486  -13.98740      10.24851  
1 1 1 7   67  18 o 70.531  2.4979  2706.19    190.818  2253.83    535.276  2772.05    204.236  62.603  8.0831  71.365  2.6423  -8.761578      8.503989  
1 1 1 7   67  19 o 61.506  3.5095  2076.20    232.820  2135.06    510.672  2060.76    261.587  60.778  7.9479  61.163  3.9702  -0.3843803     8.884389  
1 1 1 7   67  20 o 42.944  4.4801  1027.54    205.313  1556.32    459.832  895.878    229.455  51.344  8.5709  39.788  5.4691  11.55580       10.16714  
1 1 1 7   67  21 o 55.382  4.1331  1701.45    246.136  2060.29    498.927  1586.02    282.966  59.197  7.9854  53.177  4.9705  6.019306       9.406009  
1 1 1 7   67  22 f 31.674  6.3186  592.213    209.168  396.093    440.408  649.337    237.686  27.407  10.539  32.981  6.8766  -5.573355      12.58416  
1 1 1 7   67  23 o 14.398  6.5503  -99.9921   223.920  0.0000     0.0000   -99.9921   223.920  ?       ?       14.398  6.5503  0.000000       6.550342  
1 1 1 7   67  24 o 38.507  8.1429  938.194    329.006  0.0000     0.0000   938.194    329.006  ?       ?       38.507  8.1429  0.000000       8.142906  
1 1 1 7   67  25 o 96.094  4.6070  5254.42    479.490  0.0000     0.0000   5254.42    479.490  ?       ?       96.094  4.6070  0.000000       4.606953  
1 1 1 7   67  26 o 27.587  8.2540  504.905    265.806  0.0000     0.0000   504.905    265.806  ?       ?       27.587  8.2540  0.000000       8.253962  
1 1 1 7   67  27 o 18.570  7.9415  94.104     283.747  0.0000     0.0000   94.104     283.747  ?       ?       18.570  7.9415  0.000000       7.941474  
1 1 1 7   68  0  o 15.788  5.4967  120.756    115.267  7.5423     175.085  207.362    153.135  14.901  6.3000  19.754  6.3262  -4.853633      8.928095  
1 1 1 7   68  1  o 265.893 4.8130  38418.30   1386.09  37707.18   1961.46  39127.66   1959.01  262.952 6.8871  267.895 6.7515  -4.943420      9.644411  
1 1 1 7   68  2  o 318.590 5.6258  55232.72   1941.27  54189.84   2746.14  56274.44   2744.60  314.775 8.0548  320.832 7.8983  -6.057800      11.28103  
1 1 1 7   68  3  o 288.382 5.1947  45231.73   1622.54  44663.63   2295.78  45798.68   2293.47  285.930 7.4131  289.574 7.3125  -3.644409      10.41280  
1 1 1 7   68  4  o 205.153 3.8954  22851.15   865.556  24430.19   1227.35  21288.83   1220.84  211.883 5.3482  197.727 5.7006  14.15585       7.816634  
1 1 1 7   68  5  o 21.071  0.9872  240.484    22.531   241.379    22.793   202.201    149.060  21.110  0.9969  19.491  6.2414  1.619217       6.320504  
1 1 1 7   68  6  o 217.953 4.0352  25808.55   952.571  26745.50   1348.25  24874.67   1346.03  221.540 5.6189  213.604 5.8180  7.936615       8.088327  
1 1 1 7   68  7  o 174.986 3.5421  16628.11   671.334  16337.68   952.072  16915.31   946.770  173.201 5.0751  176.259 4.9593  -3.057556      7.095922  
1 1 1 7   68  8  o 93.543  2.8145  4747.87    285.155  4476.54    411.850  4997.72    395.205  90.725  4.1912  95.896  3.8050  -5.171753      5.660766  
1 1 1 7   68  9  o 209.764 4.0654  23936.22   923.655  22132.50   1309.26  25723.41   1303.25  201.172 6.0088  217.036 5.5440  -15.86400      8.175706  
1 1 1 7   68  10 o 203.151 3.8621  22450.49   849.787  22922.85   1212.59  21994.61   1191.25  204.818 5.4661  200.623 5.4822  4.195129       7.741581  
1 1 1 7   68  11 f 49.533  4.0600  1344.80    215.900  1599.02    468.901  1276.40    243.214  53.106  8.4340  48.143  4.7251  4.962631       9.667451  
1 1 1 7   68  12 o 93.905  3.5528  4797.46    361.349  3897.11    666.324  5172.56    430.084  83.684  7.4287  97.437  4.0753  -13.75282      8.473109  
1 1 1 7   68  13 o 20.594  6.8465  222.668    178.515  408.737    410.257  179.210    198.269  28.818  10.339  19.752  7.1737  9.066290       12.58406  
1 1 1 7   68  14 o 80.947  2.7075  3560.49    237.375  3819.80    584.182  3509.21    259.789  82.920  6.5581  80.332  2.9858  2.587845       7.205779  
1 1 1 7   68  15 o 83.216  3.0819  3768.46    277.780  4178.80    609.007  3660.67    312.141  86.669  6.5357  81.958  3.5163  4.711960       7.421611  
1 1 1 7   68  16 o 50.415  3.8060  1395.73    206.292  1569.18    479.699  1356.38    228.501  52.036  8.8268  49.600  4.2958  2.435505       9.816612  
1 1 1 7   68  17 o 70.220  3.3357  2690.19    253.695  2670.37    544.795  2695.68    286.674  68.599  7.4522  70.117  3.7889  -1.517746      8.360091  
1 1 1 7   68  18 o 42.960  2.0149  1002.55    93.756   1123.17    453.644  997.167    95.824   43.201  9.9063  42.842  2.0651  0.3591919      10.11926  
1 1 1 7   68  19 o 83.849  3.2493  3842.01    295.091  3996.22    613.121  3795.52    336.646  84.009  6.7965  83.220  3.7349  0.7888260      7.755140  
1 1 1 7   68  20 o 87.000  3.2951  4142.29    310.500  3807.60    631.857  4248.85    356.515  81.531  7.2303  87.979  3.7414  -6.447487      8.140904  
1 1 1 7   68  21 o 49.651  4.3235  1374.61    230.184  1186.87    482.356  1429.97    261.933  43.326  10.409  50.464  4.8521  -7.136997      11.48422  
1 1 1 7   68  22 o 41.447  5.2410  984.210    230.015  1187.20    467.043  919.209    264.289  42.677  10.236  39.524  6.3920  3.152882       12.06774  
1 1 1 7   68  23 o 25.610  8.1704  404.482    255.617  0.0000     0.0000   404.482    255.617  ?       ?       25.610  8.1704  0.000000       8.170387  
1 1 1 7   68  24 o 46.912  7.0327  1338.15    346.325  0.0000     0.0000   1338.15    346.325  ?       ?       46.912  7.0327  0.000000       7.032692  
1 1 1 7   68  25 o 25.618  9.1038  418.729    317.364  0.0000     0.0000   418.729    317.364  ?       ?       25.618  9.1038  0.000000       9.103827  
1 1 1 7   68  26 o 33.802  8.2269  758.224    298.349  0.0000     0.0000   758.224    298.349  ?       ?       33.802  8.2269  0.000000       8.226922  
1 1 1 7   68  27 o 13.298  6.3220  -234.6199  248.134  0.0000     0.0000   -234.6199  248.134  ?       ?       13.298  6.3220  0.000000       6.322028  
1 1 1 7   69  0  o 94.719  3.1610  4866.50    324.292  4221.42    521.144  5274.13    414.270  87.905  5.5013  98.566  3.8805  -10.66096      6.732194  
1 1 1 7   69  1  o 319.928 5.5728  55712.83   1931.06  55189.67   2730.98  56235.94   2730.87  317.593 7.9392  320.621 7.8639  -3.027313      11.17462  
1 1 1 7   69  2  f 49.731  3.1350  1346.89    167.999  1485.47    237.365  1207.78    237.810  52.123  4.2413  46.899  4.7471  5.224682       6.365767  
1 1 1 7   69  3  o 195.125 3.8073  20671.61   804.638  20601.92   1137.02  20741.51   1138.84  194.547 5.3960  195.206 5.3864  -0.6596985     7.624327  
1 1 1 7   69  4  o 179.956 3.5348  17578.77   688.967  18170.52   976.355  16991.86   972.351  182.758 4.9324  176.707 5.0804  6.051208       7.080911  
1 1 1 7   69  5  o 103.823 2.8557  5847.07    321.130  5663.02    457.797  6025.36    450.581  102.083 4.1405  105.315 3.9501  -3.231514      5.722511  
1 1 1 7   69  6  o 168.232 3.4502  15367.21   628.663  15770.54   892.028  14969.20   886.128  170.210 4.8386  165.812 4.9341  4.397736       6.910702  
1 1 1 7   69  7  o 61.072  2.8452  2023.81    188.202  1665.20    272.850  2349.26    259.934  55.120  4.6127  65.656  3.6700  -10.53514      5.894529  
1 1 1 7   69  8  o 50.499  3.1660  1390.14    172.292  1271.28    263.934  1478.40    227.436  48.011  5.1564  51.977  4.0726  -3.965935      6.570702  
1 1 1 7   69  9  o 198.971 3.8911  21534.51   838.559  20444.74   1189.54  22611.04   1182.29  193.391 5.6790  203.481 5.3645  -10.09001      7.812123  
1 1 1 7   69  10 o 112.152 2.9480  6830.72    358.101  7259.11    533.480  6479.40    483.120  115.440 4.2667  109.090 4.0889  6.349968       5.909609  
1 1 1 7   69  11 o 54.734  4.0526  1640.44    238.540  1419.83    487.450  1709.90    273.530  49.691  9.4013  55.806  4.5653  -6.115234      10.45111  
1 1 1 7   69  12 f 81.822  3.4754  3642.60    307.996  3684.14    584.703  3626.64    362.340  81.519  6.6809  81.464  4.1200  0.5529022E-01  7.849138  
1 1 1 7   69  13 o 139.270 3.7562  10568.96   566.597  10224.49   1004.85  10729.54   686.063  135.853 6.8511  140.132 4.5202  -4.278687      8.207929  
1 1 1 7   69  14 o 61.276  2.5250  2039.62    167.580  1942.46    503.397  2051.73    177.716  58.451  8.1752  61.447  2.6703  -2.995438      8.600210  
1 1 1 7   69  15 o 100.268 3.1005  5472.74    336.720  4846.15    705.421  5657.64    383.193  93.118  7.0465  101.881 3.4726  -8.763626      7.855715  
1 1 1 7   69  16 o 7.0052  2.5918  20.657     26.063   1.4132     413.405  20.733     26.115   22.093  9.5195  7.0147  2.5945  15.07844       9.866694  
1 1 1 7   69  17 o 34.441  5.3008  669.212    191.394  387.839    440.440  734.714    212.507  28.438  10.628  36.036  5.6286  -7.598188      12.02637  
1 1 1 7   69  18 o 30.768  6.0049  544.148    192.933  176.741    432.252  635.554    215.601  24.750  10.132  33.256  6.2141  -8.506062      11.88544  
1 1 1 7   69  19 o 34.469  1.9334  647.542    71.889   553.105    447.259  650.047    72.836   31.232  10.830  34.533  1.9554  -3.301212      11.00513  
1 1 1 7   69  20 o 81.396  3.3676  3630.35    296.891  2438.75    600.401  4016.02    341.575  64.065  8.8924  85.511  3.6880  -21.44596      9.626864  
1 1 1 7   69  21 o 74.664  3.4356  3066.37    277.836  2668.57    577.022  3186.44    317.002  66.963  8.1220  75.861  3.8710  -8.897888      8.997309  
1 1 1 7   69  22 o 15.931  6.8190  22.237     209.559  -298.0353  425.925  124.528    240.708  18.262  8.5585  18.828  7.6152  -0.5665092     11.45598  
1 1 1 7   69  23 o 31.126  8.3232  616.563    286.033  0.0000     0.0000   616.563    286.033  ?       ?       31.126  8.3232  0.000000       8.323177  
1 1 1 7   69  24 o 23.319  8.5820  313.600    285.109  0.0000     0.0000   313.600    285.109  ?       ?       23.319  8.5820  0.000000       8.582044  
1 1 1 7   69  25 o 54.811  5.8795  1783.82    343.593  0.0000     0.0000   1783.82    343.593  ?       ?       54.811  5.8795  0.000000       5.879511  
1 1 1 7   69  26 o 20.987  8.0988  240.940    260.767  0.0000     0.0000   240.940    260.767  ?       ?       20.987  8.0988  0.000000       8.098836  
1 1 1 7   70  0  o 121.057 3.5009  7953.65    459.027  7796.80    808.406  8028.29    557.643  119.408 6.2726  121.562 4.2353  -2.153778      7.568622  
1 1 1 7   70  1  o 148.673 3.2859  11993.80   529.126  11969.72   751.013  12017.54   745.611  148.375 4.6732  148.677 4.6302  -0.3014221     6.578574  
1 1 1 7   70  2  o 107.565 2.9068  6275.79    338.650  6156.17    475.251  6399.18    482.682  106.450 4.1220  108.532 4.1061  -2.082077      5.818199  
1 1 1 7   70  3  o 89.338  2.8069  4328.93    271.598  4127.34    385.181  4528.27    383.023  87.158  4.0803  91.307  3.8730  -4.149811      5.625730  
1 1 1 7   70  4  o 99.238  2.8006  5342.03    301.018  5435.23    429.514  5252.06    421.994  100.018 3.9649  98.318  3.9628  1.699524       5.605715  
1 1 1 7   70  5  o 220.639 4.1453  26464.77   990.612  26958.40   1403.30  25974.45   1398.58  222.272 5.8290  218.152 5.9191  4.119644       8.307453  
1 1 1 7   70  6  o 132.633 3.0545  9548.31    438.792  9835.94    624.181  9267.28    616.972  134.470 4.2856  130.514 4.3645  3.955734       6.116859  
1 1 1 7   70  7  o 74.076  2.8070  2977.78    225.208  2721.29    322.247  3222.66    314.865  70.595  4.2340  76.997  3.7756  -6.401405      5.672905  
1 1 1 7   70  8  o 243.498 4.4910  32294.27   1184.42  31981.74   1678.08  32604.54   1671.98  241.599 6.4128  243.977 6.3272  -2.378662      9.008757  
1 1 1 7   70  9  o 107.976 2.8501  6329.90    333.320  5998.53    471.458  6661.06    471.313  104.964 4.1470  110.639 3.9331  -5.674507      5.715460  
1 1 1 7   70  10 o 37.822  4.2242  788.874    170.093  586.477    291.114  893.785    209.590  31.952  8.3274  40.170  4.9202  -8.217695      9.672294  
1 1 1 7   70  11 o 45.180  4.4558  1124.11    215.204  1029.21    458.284  1150.96    243.751  41.991  10.182  45.622  5.0157  -3.631271      11.35016  
1 1 1 7   70  12 o 78.396  4.7748  3371.83    403.500  2796.80    579.240  3913.92    562.404  70.617  7.6979  84.124  6.2165  -13.50769      9.894567  
1 1 1 7   70  13 o 81.688  3.5922  3634.97    317.825  3486.33    593.154  3694.83    376.422  79.069  6.9985  82.156  4.2448  -3.086960      8.185128  
1 1 1 7   70  14 o 69.296  2.6076  2609.38    195.712  2593.06    537.064  2611.87    210.163  67.891  7.4247  69.311  2.7995  -1.419769      7.935001  
1 1 1 7   70  15 o 76.303  3.2034  3171.43    264.742  3360.86    563.982  3117.89    299.829  77.495  6.7877  75.589  3.6622  1.905983       7.712632  
1 1 1 7   70  16 o 66.505  2.5407  2405.25    183.010  1855.04    529.568  2479.87    195.026  56.493  8.9534  67.514  2.6670  -11.02131      9.342160  
1 1 1 7   70  17 o 63.654  3.5721  2221.40    245.282  2325.57    526.503  2192.52    277.201  63.733  7.7893  63.122  4.0763  0.6112404      8.791433  
1 1 1 7   70  18 o 23.605  6.5851  321.884    174.732  235.045    430.861  338.977    191.157  25.568  10.242  24.226  6.9335  1.342501       12.36808  
1 1 1 7   70  19 o ?       ?       -354.9673  41.693   74.945     405.579  -359.5588  41.915   22.575  9.5690  ?       ?       0.000000       9.569010  
1 1 1 7   70  20 o 41.363  4.8143  962.153    211.649  577.169    466.067  1062.17    237.556  31.392  11.046  43.372  5.1581  -11.98019      12.19058  
1 1 1 7   70  21 o 26.714  6.9449  428.438    202.811  360.508    441.354  446.622    228.348  26.849  10.487  27.168  7.5096  -0.3191319     12.89850  
1 1 1 7   70  22 f 60.425  4.4566  2058.35    289.611  0.0000     0.0000   2058.35    289.611  ?       ?       60.425  4.4566  0.000000       4.456585  
1 1 1 7   70  23 o 71.013  5.1614  2889.55    394.269  0.0000     0.0000   2889.55    394.269  ?       ?       71.013  5.1614  0.000000       5.161368  
1 1 1 7   70  24 o 41.895  7.7623  1102.66    339.258  0.0000     0.0000   1102.66    339.258  ?       ?       41.895  7.7623  0.000000       7.762293  
1 1 1 7   70  25 o 19.431  8.3207  96.555     312.240  0.0000     0.0000   96.555     312.240  ?       ?       19.431  8.3207  0.000000       8.320656  
1 1 1 7   70  26 o 27.248  8.8059  502.401    296.201  0.0000     0.0000   502.401    296.201  ?       ?       27.248  8.8059  0.000000       8.805891  
1 1 1 7   71  0  o 112.016 4.2223  6819.46    512.269  7003.37    724.217  6635.30    724.700  113.170 5.9290  110.116 6.1001  3.053894       8.506715  
1 1 1 7   71  1  o 124.730 3.4789  8445.98    469.980  8872.99    828.435  8243.33    570.708  127.536 5.9973  123.147 4.2788  4.388756       7.367196  
1 1 1 7   71  2  o 148.973 3.3006  12046.13   532.568  11090.32   753.808  12998.68   752.522  142.749 4.8755  154.601 4.4941  -11.85211      6.630759  
1 1 1 7   71  3  o 62.375  2.8075  2110.60    189.669  2198.75    268.915  2023.34    267.555  63.491  3.9298  60.878  4.0813  2.613186       5.665738  
1 1 1 7   71  4  o 109.588 2.8180  6515.66    334.483  6571.14    476.641  6461.83    469.500  109.952 4.0024  109.036 3.9755  0.9156647      5.641275  
1 1 1 7   71  5  o 18.213  5.5379  181.719    118.946  20.407     173.322  325.325    163.534  15.074  6.3150  23.955  6.2404  -8.881532      8.878178  
1 1 1 7   71  6  o 91.744  2.7733  4567.44    275.578  4629.46    394.934  4508.60    384.719  92.268  3.9519  91.061  3.9007  1.207588       5.552722  
1 1 1 7   71  7  o 185.541 3.6649  18714.07   736.510  18134.18   1041.86  19293.36   1041.31  182.274 5.2773  188.055 5.1124  -5.780670      7.347551  
1 1 1 7   71  8  o 154.411 3.2866  12954.67   549.668  13482.57   790.906  12461.48   764.464  157.268 4.6432  151.190 4.6684  6.077911       6.584268  
1 1 1 7   71  9  o 82.350  3.0252  3683.55    269.832  3652.41    397.355  3710.19    367.582  81.731  4.5061  82.543  4.1115  -0.8121490     6.100006  
1 1 1 7   71  10 o 44.650  3.9259  1093.81    187.931  955.388    301.124  1182.12    240.521  41.098  7.0167  46.276  4.8719  -5.178543      8.542235  
1 1 1 7   71  11 o 100.519 3.4654  5497.75    377.284  5646.04    699.030  5436.80    448.165  101.096 6.4172  99.859  4.1436  1.236946       7.638723  
1 1 1 7   71  12 o 93.269  3.5448  4736.87    358.092  4570.63    661.804  4805.69    425.808  90.723  6.7842  93.842  4.1893  -3.119720      7.973460  
1 1 1 7   71  13 o 136.432 3.2537  10131.11   480.806  9780.18    993.868  10238.34   549.370  132.705 6.9388  137.051 3.7009  -4.346832      7.864079  
1 1 1 7   71  14 o 115.388 3.0831  7246.97    385.321  6569.79    814.063  7442.49    437.425  108.545 6.9611  116.859 3.4560  -8.314293      7.771749  
1 1 1 7   71  15 o 18.907  6.5827  179.432    165.318  533.260    296.524  19.848     199.139  30.296  8.6233  15.945  6.7289  14.35134       10.93798  
1 1 1 7   71  16 o 30.014  1.0335  488.195    33.598   -70.0040   426.625  491.679    33.703   21.477  9.4543  30.121  1.0331  -8.643486      9.510572  
1 1 1 7   71  17 o 47.354  4.2823  1241.04    217.260  974.739    475.989  1311.12    244.179  39.975  10.757  48.580  4.6994  -8.604675      11.73875  
1 1 1 7   71  18 o 21.763  6.7851  266.246    177.226  246.871    432.752  270.150    194.264  25.761  10.283  22.078  7.1311  3.682903       12.51401  
1 1 1 7   71  19 o 3.9372  1.9834  -123.5208  38.943   -235.2472  409.461  -122.5010  39.120   18.973  8.7165  3.9661  1.9967  15.00669       8.942263  
1 1 1 7   71  20 o 36.004  2.0211  707.711    78.496   704.177    460.087  707.817    79.664   33.576  10.983  36.002  2.0514  -2.425991      11.17307  
1 1 1 7   71  21 o 20.685  2.8939  239.172    63.061   746.910    450.408  229.020    63.688   33.727  10.855  20.210  3.0006  13.51648       11.26169  
1 1 1 7   71  22 o 64.495  3.1119  2292.77    217.383  0.0000     0.0000   2292.77    217.383  ?       ?       64.495  3.1119  0.000000       3.111937  
1 1 1 7   71  23 o 38.769  7.9765  945.034    323.766  0.0000     0.0000   945.034    323.766  ?       ?       38.769  7.9765  0.000000       7.976475  
1 1 1 7   71  24 f 29.985  8.6085  591.822    294.258  0.0000     0.0000   591.822    294.258  ?       ?       29.985  8.6085  0.000000       8.608546  
1 1 1 7   71  25 o 46.879  6.7135  1348.81    331.147  0.0000     0.0000   1348.81    331.147  ?       ?       46.879  6.7135  0.000000       6.713499  
1 1 1 7   71  26 o 20.702  8.0993  224.933    263.589  0.0000     0.0000   224.933    263.589  ?       ?       20.702  8.0993  0.000000       8.099340  
1 1 1 7   72  0  o 43.983  5.2238  1068.53    243.987  888.741    342.166  1254.50    348.008  39.499  8.2634  47.383  6.9910  -7.883884      10.82401  
1 1 1 7   72  1  o 77.156  4.1471  3245.53    345.293  3081.13    488.961  3409.08    487.677  74.878  6.0817  78.844  5.7504  -3.966621      8.369798  
1 1 1 7   72  2  o 86.349  3.2392  4047.73    302.952  4551.70    528.933  3801.68    369.578  91.218  5.3774  83.624  4.0804  7.593857       6.750279  
1 1 1 7   72  3  o 78.869  2.7944  3374.93    238.708  3132.13    342.054  3605.45    333.284  75.776  4.1839  81.454  3.7777  -5.678116      5.637021  
1 1 1 7   72  4  o 170.285 3.5557  15753.57   655.794  15553.10   929.502  15952.26   925.376  168.917 5.0805  171.090 4.9937  -2.172638      7.123795  
1 1 1 7   72  5  o 68.864  2.7496  2573.38    205.088  2661.74    290.816  2485.96    289.266  69.863  3.8582  67.495  3.9745  2.368324       5.539141  
1 1 1 7   72  6  o 147.738 3.2029  11854.45   512.520  11902.28   728.267  11807.52   721.407  147.818 4.5488  147.233 4.5238  0.5849457      6.415298  
1 1 1 7   72  7  o 133.277 3.0931  9647.25    446.497  8994.75    634.622  10286.84   628.309  128.473 4.5607  137.453 4.2204  -8.979767      6.213824  
1 1 1 7   72  8  o 60.106  2.4145  1960.16    157.188  1836.37    193.801  2198.17    268.730  58.061  3.0929  63.433  3.9307  -5.372223      5.001696  
1 1 1 7   72  9  o 46.421  3.7492  1180.22    186.899  1042.78    293.524  1273.94    242.387  43.110  6.4873  48.092  4.7140  -4.981510      8.019135  
1 1 1 7   72  10 o 41.617  4.7297  957.777    209.408  1103.35    456.130  918.902    235.717  43.521  9.8999  40.603  5.5017  2.917809       11.32589  
1 1 1 7   72  11 o 23.413  2.0172  299.554    50.654   748.300    430.736  293.261    51.008   35.934  10.444  23.159  2.0548  12.77492       10.64424  
1 1 1 7   72  12 o 60.795  5.4098  2043.51    352.500  2038.85    513.813  2047.65    484.498  59.975  8.1185  60.272  7.5901  -0.2975197     11.11392  
1 1 1 7   72  13 o 130.762 3.1606  9305.94    447.629  10392.65   933.544  8981.50    510.092  137.187 6.2828  128.352 3.6692  8.834976       7.275764  
1 1 1 7   72  14 o 130.844 3.2590  9326.83    461.852  8802.25    942.836  9492.44    529.766  125.616 6.9569  131.885 3.7087  -6.269341      7.883725  
1 1 1 7   72  15 o 41.194  4.6060  942.458    201.990  1041.85    448.361  917.149    226.250  41.767  10.036  40.471  5.2879  1.296146       11.34398  
1 1 1 7   72  16 o 63.965  2.4215  2224.94    167.760  1937.76    517.106  2258.72    177.353  57.840  8.5086  64.435  2.5412  -6.595303      8.879965  
1 1 1 7   72  17 o 62.546  3.4972  2145.63    235.967  2347.80    530.678  2095.81    263.443  63.897  7.8319  61.702  3.9629  2.194969       8.777436  
1 1 1 7   72  18 o 32.763  5.7838  614.441    197.737  736.783    453.569  585.732    219.715  34.887  10.851  31.745  6.6052  3.142036       12.70317  
1 1 1 7   72  19 o 18.212  6.9428  139.933    190.094  44.468     432.362  162.809    211.648  22.631  9.7433  19.334  7.3365  3.296865       12.19656  
1 1 1 7   72  20 o ?       ?       -280.8403  28.291   6.2380     431.394  -282.0803  28.352   21.818  9.5579  ?       ?       0.000000       9.557885  
1 1 1 7   72  21 o 20.120  1.3993  221.007    30.303   62.784     435.740  221.776    30.377   22.217  9.6723  20.155  1.4002  2.061878       9.773172  
1 1 1 7   72  22 o 43.281  6.8826  1124.28    311.839  0.0000     0.0000   1124.28    311.839  ?       ?       43.281  6.8826  0.000000       6.882630  
1 1 1 7   72  23 o 35.082  8.4587  792.605    317.664  0.0000     0.0000   792.605    317.664  ?       ?       35.082  8.4587  0.000000       8.458749  
1 1 1 7   72  24 o 18.462  8.0412  40.547     301.440  0.0000     0.0000   40.547     301.440  ?       ?       18.462  8.0412  0.000000       8.041167  
1 1 1 7   72  25 o 28.608  8.7605  552.451    296.959  0.0000     0.0000   552.451    296.959  ?       ?       28.608  8.7605  0.000000       8.760543  
1 1 1 7   73  0  o 102.478 3.2895  5702.26    365.115  5480.56    442.054  6178.16    647.660  100.396 4.0653  106.250 5.6482  -5.853256      6.959075  
1 1 1 7   73  1  o 104.362 3.9672  5921.29    448.437  5951.30    609.449  5885.87    662.203  104.315 5.4127  103.638 5.9239  0.6769714      8.024326  
1 1 1 7   73  2  o 128.480 4.3730  8982.80    608.537  9191.93    861.335  8774.38    859.871  129.666 6.1330  126.660 6.2679  3.005905       8.769332  
1 1 1 7   73  3  o 52.355  3.5045  1495.81    197.577  1578.53    361.541  1460.58    235.922  53.338  6.3852  51.638  4.2561  1.699688       7.673674  
1 1 1 7   73  4  o 93.481  2.7064  4741.85    274.018  4603.70    370.717  4908.23    406.836  92.028  3.7192  95.000  3.9539  -2.971909      5.428280  
1 1 1 7   73  5  o 124.692 3.0321  8442.22    409.503  8487.83    588.769  8399.48    569.938  124.854 4.3538  124.221 4.2361  0.6336136      6.074549  
1 1 1 7   73  6  f 139.611 3.2020  10588.21   484.188  10390.87   707.666  10761.91   663.915  138.051 4.7328  140.566 4.3608  -2.514557      6.435495  
1 1 1 7   73  7  o 148.835 3.2165  12035.82   518.514  12910.33   749.519  11233.15   718.071  153.907 4.4963  143.537 4.6189  10.36993       6.445968  
1 1 1 7   73  8  o 148.630 3.2288  12005.73   519.775  12515.41   744.464  11520.98   726.028  151.492 4.5372  145.332 4.6124  6.159897       6.469903  
1 1 1 7   73  9  o 93.443  3.0883  4745.21    312.560  4851.19    468.715  4660.35    419.433  94.281  4.5900  92.467  4.1880  1.813377       6.213492  
1 1 1 7   73  10 o 81.832  4.7517  3671.72    419.340  3596.95    605.441  3740.67    581.363  80.408  7.0223  82.138  6.5903  -1.729767      9.630426  
1 1 1 7   73  11 o 76.872  4.8543  3245.55    402.095  3150.48    582.171  3332.27    556.026  75.091  7.2481  77.415  6.6973  -2.323814      9.868526  
1 1 1 7   73  12 o 24.879  8.6932  314.199    288.442  398.880    428.494  244.033    390.047  28.803  10.533  25.368  9.8726  3.434837       14.43649  
1 1 1 7   73  13 o 32.509  5.2652  594.884    179.050  1430.20    444.579  433.166    195.616  49.810  8.5485  27.427  6.6530  22.38256       10.83237  
1 1 1 7   73  14 o 96.727  2.8970  5092.09    303.509  4798.34    688.121  5163.04    338.181  92.591  6.9114  97.345  3.2075  -4.753517      7.619443  
1 1 1 7   73  15 f 58.105  3.6351  1851.42    227.619  1578.98    498.731  1923.09    255.816  51.907  9.2081  59.144  4.0173  -7.236240      10.04627  
1 1 1 7   73  16 o 50.479  2.3390  1385.55    127.881  1320.54    479.018  1390.54    132.697  47.015  9.7277  50.562  2.4231  -3.547062      10.02494  
1 1 1 7   73  17 o 70.233  2.6846  2686.97    204.217  2460.18    289.234  2912.43    288.382  66.848  4.0134  72.847  3.6667  -5.999489      5.436162  
1 1 1 7   73  18 o 101.651 3.2137  5650.09    353.827  5604.67    732.484  5663.91    404.099  99.364  6.8479  101.627 3.6712  -2.263077      7.769920  
1 1 1 7   73  19 o 49.429  4.2431  1359.69    224.961  821.578    494.898  1499.83    252.561  36.027  11.355  51.831  4.5448  -15.80382      12.23103  
1 1 1 7   73  20 o 53.688  4.0024  1606.33    231.067  1393.34    508.888  1661.65    259.343  46.460  10.375  54.436  4.4372  -7.975681      11.28403  
1 1 1 7   73  21 o 44.444  5.1512  1132.11    243.368  0.0000     0.0000   1132.11    243.368  ?       ?       44.444  5.1512  0.000000       5.151174  
1 1 1 7   73  22 o 29.047  8.9248  541.104    307.905  0.0000     0.0000   541.104    307.905  ?       ?       29.047  8.9248  0.000000       8.924837  
1 1 1 7   73  23 o 15.176  7.0828  -195.9698  286.712  0.0000     0.0000   -195.9698  286.712  ?       ?       15.176  7.0828  0.000000       7.082757  
1 1 1 7   73  24 o 47.740  6.4170  1376.33    323.405  0.0000     0.0000   1376.33    323.405  ?       ?       47.740  6.4170  0.000000       6.417034  
1 1 1 7   73  25 o 47.601  6.1175  1364.16    308.104  0.0000     0.0000   1364.16    308.104  ?       ?       47.601  6.1175  0.000000       6.117522  
1 1 1 7   74  0  f 3.1640  1.5875  -69.7680   23.672   -76.1496   23.899   261.312    172.141  3.0845  1.5539  21.811  6.6684  -18.72700      6.847090  
1 1 1 7   74  1  o 166.949 3.9765  15157.56   719.049  14682.55   878.696  16120.40   1251.02  164.124 4.9431  171.499 6.7349  -7.374710      8.354206  
1 1 1 7   74  2  o 88.387  4.1458  4250.56    396.888  3947.61    545.238  4591.99    578.835  84.763  5.9773  91.472  5.8735  -6.708923      8.380106  
1 1 1 7   74  3  o 50.525  4.6410  1402.35    251.135  1694.38    355.397  1111.10    354.920  55.337  6.0272  44.327  7.6701  11.00922       9.754854  
1 1 1 7   74  4  o 66.101  3.2680  2373.60    233.968  1991.46    428.988  2535.40    279.139  59.885  6.7305  68.176  3.7953  -8.290508      7.726811  
1 1 1 7   74  5  o 64.514  2.8049  2259.34    195.991  1983.44    282.904  2513.96    271.776  60.189  4.3694  67.891  3.7100  -7.702789      5.732024  
1 1 1 7   74  6  o 70.197  2.8551  2675.46    217.078  3013.88    330.302  2418.14    288.015  74.288  4.1212  66.533  4.0156  7.755486       5.754073  
1 1 1 7   74  7  o 132.170 3.1175  9491.33    446.288  9659.15    643.054  9335.39    619.878  133.106 4.4605  130.873 4.3731  2.232849       6.246553  
1 1 1 7   74  8  o 90.526  3.3896  4456.49    332.350  4869.13    638.559  4303.18    389.224  93.942  6.3125  88.877  4.0433  5.064804       7.496377  
1 1 1 7   74  9  o 81.225  3.6137  3591.41    317.913  3808.91    603.869  3508.02    373.927  82.849  6.7892  80.073  4.3276  2.775887       8.051151  
1 1 1 7   74  10 o 74.720  4.9248  3067.44    396.326  2899.86    572.532  3221.62    549.175  71.976  7.4522  76.121  6.7303  -4.145279      10.04150  
1 1 1 7   74  11 o 38.375  7.7933  847.350    312.867  517.513    457.190  1137.86    429.069  31.403  10.946  44.219  9.2557  -12.81585      14.33484  
1 1 1 7   74  12 o 38.536  4.9436  826.940    201.580  985.321    454.772  788.214    224.878  40.807  10.291  37.433  5.7288  3.374683       11.77817  
1 1 1 7   74  13 o 43.534  4.0264  1044.23    187.701  980.344    461.603  1056.89    205.454  40.573  10.443  43.728  4.3976  -3.154411      11.33087  
1 1 1 7   74  14 o 58.991  2.2308  1890.42    142.533  1263.17    495.901  1946.91    148.813  46.013  10.217  59.860  2.2953  -13.84686      10.47130  
1 1 1 7   74  15 o 68.051  3.3679  2527.64    248.239  2750.57    541.817  2468.41    279.274  69.658  7.2894  67.059  3.8614  2.598671       8.248990  
1 1 1 7   74  16 o 47.325  1.8323  1216.04    93.920   753.235    141.722  1578.46    125.414  36.943  3.5871  53.892  2.1486  -16.94928      4.181376  
1 1 1 7   74  17 f 47.258  4.1812  1236.50    211.807  1026.63    489.654  1284.81    234.922  40.800  10.881  48.080  4.5659  -7.280251      11.79993  
1 1 1 7   74  18 o 33.788  6.0208  657.834    212.257  68.096     460.828  816.638    239.133  23.599  10.107  37.723  6.0578  -14.12384      11.78345  
1 1 1 7   74  19 o 47.179  4.4191  1245.36    223.186  890.054    494.354  1336.32    250.128  37.080  11.293  48.749  4.7995  -11.66869      12.27067  
1 1 1 7   74  20 o 15.944  6.5666  63.767     182.970  217.730    442.058  31.938     200.995  24.472  10.154  15.874  6.7330  8.597120       12.18376  
1 1 1 7   74  21 o 51.754  4.4614  1512.00    247.638  0.0000     0.0000   1512.00    247.638  ?       ?       51.754  4.4614  0.000000       4.461410  
1 1 1 7   74  22 f 21.165  8.3340  206.908    280.653  0.0000     0.0000   206.908    280.653  ?       ?       21.165  8.3340  0.000000       8.334016  
1 1 1 7   74  23 o 24.104  8.5414  352.588    279.175  0.0000     0.0000   352.588    279.175  ?       ?       24.104  8.5414  0.000000       8.541450  
1 1 1 7   74  24 o 43.642  7.4912  1197.87    341.349  0.0000     0.0000   1197.87    341.349  ?       ?       43.642  7.4912  0.000000       7.491237  
1 1 1 7   74  25 o 18.021  7.7958  55.038     279.502  0.0000     0.0000   55.038     279.502  ?       ?       18.021  7.7958  0.000000       7.795835  
1 1 1 7   75  0  o 186.050 5.2426  18891.13   1056.44  18378.47   1495.74  19401.47   1492.34  182.751 7.5566  187.854 7.3346  -5.103714      10.53086  
1 1 1 7   75  1  o 142.171 3.2689  10979.57   503.365  10961.00   734.981  10995.98   690.803  141.804 4.7854  142.086 4.4888  -0.2816010     6.561223  
1 1 1 7   75  2  o 114.006 3.4384  7062.99    424.574  6984.84    518.437  7222.16    739.852  113.274 4.2257  114.736 5.9742  -1.461754      7.317578  
1 1 1 7   75  3  o 81.989  4.0476  3658.20    359.441  3399.99    509.536  3913.97    507.126  78.586  6.0323  84.444  5.5761  -5.857590      8.214716  
1 1 1 7   75  4  o 49.371  4.6785  1340.55    247.193  1349.13    353.723  1332.37    345.587  49.111  6.8352  48.828  6.7121  0.2833099      9.579747  
1 1 1 7   75  5  o 152.123 3.7303  12587.91   614.619  14208.64   1107.13  11865.92   738.943  160.945 6.3511  147.521 4.6247  13.42459       7.856530  
1 1 1 7   75  6  o 108.555 3.2870  6405.02    386.477  7806.22    727.516  5854.14    456.165  119.423 5.6245  103.682 4.0621  15.74152       6.937966  
1 1 1 7   75  7  o 21.936  6.6526  266.462    171.815  425.903    435.479  237.067    186.983  29.586  10.648  21.210  7.0049  8.375565       12.74565  
1 1 1 7   75  8  o 47.870  2.4443  1247.13    126.311  1245.39    132.075  1265.72    432.268  47.826  2.5590  46.931  8.8281  0.8952980      9.191474  
1 1 1 7   75  9  o 70.393  5.0229  2724.89    380.452  2682.27    560.489  2761.30    518.088  69.166  7.6075  70.403  6.8823  -1.236786      10.25871  
1 1 1 7   75  10 o 53.831  5.9957  1613.02    343.637  1687.66    502.448  1547.43    471.024  54.259  8.8552  51.964  8.6748  2.295059       12.39626  
1 1 1 7   75  11 o 32.318  7.5183  603.345    258.208  678.760    329.887  484.069    414.873  34.132  8.8496  30.234  10.434  3.898163       13.68119  
1 1 1 7   75  12 o 84.136  3.1151  3853.51    283.878  3590.60    622.749  3922.47    318.944  80.004  7.2660  84.833  3.4712  -4.829353      8.052563  
1 1 1 7   75  13 o 90.568  3.0294  4466.36    297.170  4267.49    652.855  4518.34    333.750  87.266  6.9652  91.032  3.3850  -3.766121      7.744197  
1 1 1 7   75  14 o 106.407 3.0987  6170.14    357.122  6115.39    756.965  6185.82    405.030  104.538 6.7211  106.448 3.5130  -1.909813      7.583844  
1 1 1 7   75  15 o 54.514  3.8014  1633.98    223.043  944.705    494.841  1809.72    249.864  39.390  11.115  57.327  4.0502  -17.93668      11.82971  
1 1 1 7   75  16 o 76.588  3.2148  3202.53    266.676  2929.43    582.933  3274.82    299.898  71.568  7.6383  77.372  3.5786  -5.804848      8.435023  
1 1 1 7   75  17 o 50.678  4.0011  1419.44    217.831  942.174    496.191  1533.38    242.443  38.932  11.179  52.606  4.2924  -13.67449      11.97485  
1 1 1 7   75  18 o 43.782  4.8171  1076.29    224.652  817.147    486.362  1146.57    253.291  36.052  11.240  45.045  5.2924  -8.993164      12.42373  
1 1 1 7   75  19 o 19.919  7.1342  205.509    195.258  149.860    450.459  218.384    216.671  23.951  10.115  20.652  7.4994  3.298590       12.59156  
1 1 1 7   75  20 o 29.991  6.5980  540.126    208.505  543.554    466.152  539.268    233.126  29.773  10.971  29.706  7.2981  0.6664085E-01  13.17683  
1 1 1 7   75  21 o 42.625  6.2989  1072.96    282.041  0.0000     0.0000   1072.96    282.041  ?       ?       42.625  6.2989  0.000000       6.298909  
1 1 1 7   75  22 o 17.579  7.5307  45.285     255.954  0.0000     0.0000   45.285     255.954  ?       ?       17.579  7.5307  0.000000       7.530668  
1 1 1 7   75  23 o 14.495  6.8350  -234.0210  279.048  0.0000     0.0000   -234.0210  279.048  ?       ?       14.495  6.8350  0.000000       6.835041  
1 1 1 7   75  24 o 18.949  7.9844  107.759    279.688  0.0000     0.0000   107.759    279.688  ?       ?       18.949  7.9844  0.000000       7.984365  
1 1 1 7   76  0  o 67.934  3.7861  2517.63    277.470  2751.46    400.201  2301.18    385.041  70.798  5.2565  64.658  5.5520  6.139587       7.645627  
1 1 1 7   76  1  o 74.822  3.6754  3044.12    297.856  3446.47    419.734  2635.98    422.746  79.340  4.9085  69.204  5.6904  10.13536       7.514934  
1 1 1 7   76  2  o 80.643  2.5362  3528.80    221.524  3575.29    287.595  3460.97    347.366  81.120  3.2733  79.643  4.0401  1.476326       5.199700  
1 1 1 7   76  3  o 79.912  3.2938  3470.06    285.089  3409.69    347.471  3594.40    498.677  79.039  4.0727  80.857  5.7313  -1.817444      7.031005  
1 1 1 7   76  4  o 158.463 4.8682  13703.72   835.532  13394.96   1193.26  14000.72   1170.32  156.008 7.0618  159.600 6.7702  -3.591934      9.782898  
1 1 1 7   76  5  o 206.188 5.6389  23273.07   1259.30  24413.57   1798.56  22176.22   1763.80  210.094 7.9039  200.111 8.1378  9.983673       11.34439  
1 1 1 7   76  6  o 171.895 5.5115  16177.29   1026.13  14692.53   1615.28  17181.90   1328.68  161.992 9.2446  176.589 6.9468  -14.59682      11.56378  
1 1 1 7   76  7  o 121.489 4.6070  8058.61    606.216  7178.11    869.016  8893.25    846.082  113.823 7.0841  127.224 6.1401  -13.40089      9.374740  
1 1 1 7   76  8  o 106.522 4.5626  6197.18    526.408  5688.64    761.399  6662.84    728.591  101.261 6.9849  109.913 6.1448  -8.651360      9.303107  
1 1 1 7   76  9  o 223.683 6.7559  27632.85   1636.78  28786.62   2043.46  25567.64   2733.94  227.181 8.3047  210.480 12.042  16.70111       14.62839  
1 1 1 7   76  10 o 197.129 4.8865  21278.85   1043.32  20521.11   1334.09  22472.01   1674.08  192.836 6.3874  200.952 7.6915  -8.115967      9.997935  
1 1 1 7   76  11 o 53.358  2.3425  1546.17    135.380  1517.60    152.535  1652.20    293.829  52.772  2.6774  54.661  5.0191  -1.888111      5.688610  
1 1 1 7   76  12 o 122.106 3.5933  8133.52    475.222  7425.26    825.613  8484.45    581.146  115.491 6.6280  124.515 4.3092  -9.024155      7.905655  
1 1 1 7   76  13 o 70.244  3.1753  2688.89    241.580  2845.21    560.602  2653.24    267.713  70.938  7.4055  69.632  3.5616  1.306404       8.217440  
1 1 1 7   76  14 o 84.657  3.0860  3906.67    282.958  4205.55    623.948  3829.28    317.482  86.555  6.7080  83.736  3.5006  2.819244       7.566416  
1 1 1 7   76  15 o 73.903  3.3091  2982.25    264.874  2571.37    574.109  3093.35    298.547  66.862  8.0924  75.198  3.6656  -8.335602      8.883896  
1 1 1 7   76  16 o 46.236  4.1371  1183.09    204.991  1440.08    480.709  1125.97    226.630  49.138  9.3743  44.949  4.7258  4.188618       10.49812  
1 1 1 7   76  17 o 22.816  6.9280  298.466    186.253  459.269    441.266  263.607    205.451  29.273  10.691  21.956  7.3461  7.316858       12.97179  
1 1 1 7   76  18 o 27.524  7.0055  450.921    209.376  516.314    463.970  434.198    234.624  30.083  10.967  26.957  7.6698  3.125984       13.38248  
1 1 1 7   76  19 o 58.408  3.7437  1894.61    235.583  1673.75    534.346  1947.89    262.469  51.227  9.9894  59.070  4.1284  -7.842293      10.80887  
1 1 1 7   76  20 o 20.220  7.3473  213.977    208.019  0.0000     0.0000   213.977    208.019  ?       ?       20.220  7.3473  0.000000       7.347321  
1 1 1 7   76  21 o 21.601  7.7898  257.306    233.192  0.0000     0.0000   257.306    233.192  ?       ?       21.601  7.7898  0.000000       7.789841  
1 1 1 7   76  22 o 20.325  8.2505  165.933    283.660  0.0000     0.0000   165.933    283.660  ?       ?       20.325  8.2505  0.000000       8.250523  
1 1 1 7   76  23 o 44.180  6.5415  1181.93    303.561  0.0000     0.0000   1181.93    303.561  ?       ?       44.180  6.5415  0.000000       6.541478  
1 1 1 7   76  24 o 44.407  7.3577  1233.37    341.493  0.0000     0.0000   1233.37    341.493  ?       ?       44.407  7.3577  0.000000       7.357684  
1 1 1 7   77  0  o 79.429  3.7090  3431.49    319.087  2969.77    449.287  3901.40    453.252  73.463  5.6910  84.403  4.9802  -10.93917      7.562332  
1 1 1 7   77  1  o 25.936  7.8644  374.198    240.127  374.198    240.127  0.0000     0.0000   25.936  7.8644  ?       ?       0.000000       7.864435  
1 1 1 7   77  2  o 52.183  4.0959  1491.75    229.641  1162.94    339.573  1768.86    311.732  45.444  7.1339  56.682  5.1334  -11.23759      8.788911  
1 1 1 7   77  3  o 91.972  2.8282  4593.23    281.731  4655.45    412.224  4538.69    385.929  92.455  4.1166  91.314  3.9021  1.140610       5.672080  
1 1 1 7   77  4  o 132.233 3.6769  9513.96    526.611  10012.09   650.160  8563.83    897.934  135.507 4.4299  124.616 6.6770  10.89076       8.012877  
1 1 1 7   77  5  o 185.252 5.3993  18784.06   1083.35  18306.73   1536.53  19255.91   1527.68  181.839 7.8016  186.618 7.5580  -4.779877      10.86227  
1 1 1 7   77  6  o 38.302  7.6379  839.514    305.746  649.946    443.749  1010.84    421.862  34.001  10.756  41.688  9.5483  -7.686855      14.38295  
1 1 1 7   77  7  o 121.438 4.5933  8054.41    604.160  8157.10    867.789  7957.82    841.635  121.488 6.6199  120.035 6.4978  1.452881       9.276029  
1 1 1 7   77  8  o 87.515  4.6919  4198.35    443.116  4316.57    648.035  4094.53    607.272  88.152  6.8408  85.925  6.5751  2.227791       9.488373  
1 1 1 7   77  9  o 113.095 3.6624  6969.02    448.618  6835.87    546.736  7243.40    784.861  111.833 4.5138  114.435 6.3574  -2.602020      7.796817  
1 1 1 7   77  10 o 81.633  2.7722  3622.67    245.105  3625.31    442.155  3621.50    294.496  81.153  5.0555  81.550  3.3341  -0.3976364     6.055960  
1 1 1 7   77  11 o 137.822 3.3147  10348.16   494.811  10158.65   712.200  10524.99   687.966  136.102 4.8313  138.621 4.5821  -2.519485      6.658665  
1 1 1 7   77  12 o 127.066 3.6832  8814.62    506.899  9627.87    914.054  8453.43    609.150  131.729 6.4065  124.180 4.5290  7.549660       7.845688  
1 1 1 7   77  13 o 46.103  2.3400  1158.11    116.462  1083.63    137.598  1346.25    218.687  44.522  2.8687  49.420  4.1232  -4.897663      5.022996  
1 1 1 7   77  14 o 16.810  6.3039  120.235    155.220  562.172    434.792  55.684     166.170  31.577  10.686  15.463  6.3002  16.11440       12.40500  
1 1 1 7   77  15 o 19.852  6.9598  199.537    184.956  195.956    437.620  200.316    204.079  25.168  10.236  20.270  7.2900  4.898199       12.56665  
1 1 1 7   77  16 o 35.847  1.9987  700.535    77.294   643.185    463.263  702.177    78.393   33.029  11.031  35.886  2.0251  -2.856789      11.21542  
1 1 1 7   77  17 o 99.301  3.1815  5398.13    342.183  4845.72    722.153  5558.07    388.574  91.743  7.3287  100.623 3.5654  -8.880249      8.149930  
1 1 1 7   77  18 o 35.723  5.4876  733.707    205.534  487.308    473.702  790.853    228.127  29.438  11.018  36.959  5.8971  -7.521328      12.49675  
1 1 1 7   77  19 o 20.927  7.2235  242.932    198.864  -92.7101   462.051  319.242    220.313  21.121  9.5289  23.322  7.5988  -2.201092      12.18776  
1 1 1 7   77  20 o 32.097  7.9689  641.830    275.759  0.0000     0.0000   641.830    275.759  ?       ?       32.097  7.9689  0.000000       7.968938  
1 1 1 7   77  21 o 66.194  5.1559  2509.31    366.738  0.0000     0.0000   2509.31    366.738  ?       ?       66.194  5.1559  0.000000       5.155886  
1 1 1 7   77  22 o 66.622  5.0085  2548.80    358.764  0.0000     0.0000   2548.80    358.764  ?       ?       66.622  5.0085  0.000000       5.008509  
1 1 1 7   77  23 o 17.985  7.8326  34.694     285.949  0.0000     0.0000   34.694     285.949  ?       ?       17.985  7.8326  0.000000       7.832580  
1 1 1 7   77  24 o 33.935  7.9431  744.554    286.790  0.0000     0.0000   744.554    286.790  ?       ?       33.935  7.9431  0.000000       7.943078  
1 1 1 7   78  0  o 86.272  2.7800  4041.25    259.766  4011.01    367.095  4071.59    367.636  85.835  3.9486  86.483  3.9248  -0.6484985     5.567376  
1 1 1 7   78  1  o 33.986  4.6918  641.884    168.104  629.839    274.591  649.104    212.600  33.115  7.7867  33.925  6.0057  -0.8104858     9.833683  
1 1 1 7   78  2  o 36.917  4.7946  756.153    187.184  848.086    284.618  686.083    248.482  38.663  7.0568  34.728  6.8495  3.934883       9.834297  
1 1 1 7   78  3  o 113.434 4.1033  7010.75    504.138  5800.98    715.401  8204.14    710.541  102.528 6.4755  122.448 5.3575  -19.92049      8.404500  
1 1 1 7   78  4  o 152.342 3.1983  12616.61   527.721  13771.50   753.304  11503.64   739.507  158.898 4.3771  145.146 4.7040  13.75175       6.425451  
1 1 1 7   78  5  o 181.319 4.5451  17947.06   892.606  17622.48   1127.51  18492.02   1460.98  179.221 5.8085  182.867 7.3763  -3.646103      9.388719  
1 1 1 7   78  6  o 111.134 3.6436  6724.36    438.585  6552.61    524.434  7123.95    799.942  109.569 4.4191  113.545 6.5321  -3.975922      7.886514  
1 1 1 7   78  7  o 165.899 4.1265  15012.53   741.467  14531.30   908.428  15972.96   1283.35  162.893 5.1489  169.997 6.9700  -7.104050      8.665611  
1 1 1 7   78  8  o 129.596 3.7919  9154.19    532.247  8944.38    655.120  9561.59    912.882  127.874 4.7301  131.669 6.4012  -3.794846      7.959189  
1 1 1 7   78  9  o 38.689  4.9444  833.090    202.454  911.745    327.765  784.569    257.434  39.786  7.8847  37.138  6.6439  2.648479       10.31067  
1 1 1 7   78  10 o 94.676  3.2089  4880.48    329.049  4970.71    494.427  4808.74    440.856  95.109  4.8153  93.768  4.3408  1.341431       6.483074  
1 1 1 7   78  11 o 116.919 3.2333  7447.82    409.452  7511.72    600.698  7392.37    559.589  117.017 4.7396  116.173 4.4473  0.8442841      6.499363  
1 1 1 7   78  12 f 49.901  4.6603  1378.15    248.965  1232.97    506.343  1424.44    285.914  45.358  10.512  50.584  5.2971  -5.226742      11.77138  
1 1 1 7   78  13 o 96.233  3.0530  5047.42    318.210  4970.29    697.455  5067.69    357.597  94.044  6.8953  96.346  3.4268  -2.301872      7.699877  
1 1 1 7   78  14 o 18.183  6.6061  155.081    168.158  179.727    442.472  150.920    181.799  25.071  10.255  18.416  6.8388  6.655418       12.32648  
1 1 1 7   78  15 o 35.151  5.3286  699.049    196.512  654.856    464.869  708.664    216.838  33.399  11.046  35.240  5.8889  -1.840893      12.51742  
1 1 1 7   78  16 o 54.708  2.2191  1628.53    131.488  1181.44    504.620  1661.09    136.193  43.552  10.760  55.245  2.2761  -11.69368      10.99839  
1 1 1 7   78  17 o 69.679  3.4162  2666.15    257.817  2842.10    572.163  2621.33    288.797  69.668  7.7119  68.847  3.8888  0.8208008      8.636909  
1 1 1 7   78  18 o 52.521  2.5997  1508.89    147.885  1371.61    175.903  1839.81    273.118  49.827  3.2777  57.296  4.4356  -7.469513      5.515254  
1 1 1 7   78  19 o 41.371  5.0285  977.573    220.692  784.110    501.027  1024.15    245.824  34.237  11.472  42.143  5.5181  -7.906685      12.72984  
1 1 1 7   78  20 o 54.372  5.2026  1693.15    302.646  0.0000     0.0000   1693.15    302.646  ?       ?       54.372  5.2026  0.000000       5.202621  
1 1 1 7   78  21 o 32.140  7.9895  654.222    276.922  0.0000     0.0000   654.222    276.922  ?       ?       32.140  7.9895  0.000000       7.989456  
1 1 1 7   78  22 f 38.144  8.1574  930.102    326.810  0.0000     0.0000   930.102    326.810  ?       ?       38.144  8.1574  0.000000       8.157404  
1 1 1 7   78  23 o 58.662  5.5001  2013.64    345.380  0.0000     0.0000   2013.64    345.380  ?       ?       58.662  5.5001  0.000000       5.500096  
1 1 1 7   79  0  o 106.986 2.9283  6217.95    339.323  6312.69    486.587  6128.26    473.433  107.624 4.1743  106.049 4.1217  1.575401       5.866276  
1 1 1 7   79  1  o 85.081  2.8391  3931.78    261.624  4069.12    383.731  3812.49    357.630  86.415  4.0998  83.665  3.9466  2.750504       5.690719  
1 1 1 7   79  2  o 62.505  3.7928  2134.84    255.552  2132.81    385.206  2136.44    341.533  62.108  5.7932  62.304  5.1060  -0.1959686     7.722218  
1 1 1 7   79  3  o 33.609  6.1382  639.156    215.212  607.711    332.642  661.794    282.243  32.510  9.0917  33.908  7.8415  -1.397652      12.00615  
1 1 1 7   79  4  o 116.633 4.2063  7417.80    531.364  7913.99    765.725  6956.94    737.968  120.075 5.8877  112.373 6.0859  7.702469       8.467841  
1 1 1 7   79  5  o 101.655 3.4122  5622.64    375.695  5972.44    658.101  5453.52    457.587  104.136 5.8586  99.989  4.2252  4.146652       7.223265  
1 1 1 7   79  6  o 90.943  3.0011  4496.08    295.607  4105.48    432.420  4838.75    405.026  86.555  4.6294  94.210  3.9693  -7.655106      6.098064  
1 1 1 7   79  7  o 90.064  3.0807  4411.52    300.515  4657.46    430.529  4177.85    419.664  92.354  4.3040  87.335  4.4513  5.019569       6.191823  
1 1 1 7   79  8  o 68.308  3.3737  2540.68    249.602  2469.96    379.921  2594.39    331.080  66.886  5.2874  68.744  4.4709  -1.857681      6.924298  
1 1 1 7   79  9  o 71.965  3.4253  2821.61    266.989  2747.19    401.146  2880.80    357.732  70.528  5.2899  72.404  4.5854  -1.876144      7.000636  
1 1 1 7   79  10 o 27.403  6.7959  433.279    200.720  752.232    338.933  260.997    249.098  35.815  8.8004  22.853  8.0715  12.96103       11.94135  
1 1 1 7   79  11 o 90.087  3.2809  4423.60    320.127  4622.04    483.244  4268.41    427.348  91.601  4.8884  88.134  4.4917  3.466812       6.638662  
1 1 1 7   79  12 o 111.557 3.6381  6798.60    439.587  7046.60    802.045  6692.12    525.555  112.273 6.6249  110.461 4.3928  1.812042       7.948993  
1 1 1 7   79  13 o 80.801  3.0386  3558.93    265.926  3165.13    619.346  3647.93    294.448  74.502  7.7905  81.752  3.3254  -7.249390      8.470517  
1 1 1 7   79  14 o 105.747 3.1257  6101.37    358.005  5701.27    770.414  6211.56    404.309  100.435 7.1285  106.596 3.5019  -6.160568      7.942222  
1 1 1 7   79  15 o 88.318  3.1290  4260.96    299.315  4057.25    658.427  4314.02    336.045  84.322  7.2808  88.772  3.4950  -4.449814      8.076189  
1 1 1 7   79  16 o 5.6095  2.4695  -8.2497    29.110   239.200    450.205  -9.2886    29.171   25.643  10.399  5.5701  2.4611  20.07250       10.68659  
1 1 1 7   79  17 o 29.720  6.1928  519.177    192.879  130.413    467.781  598.812    211.714  24.113  10.251  31.917  6.3478  -7.803778      12.05745  
1 1 1 7   79  18 o 21.302  7.3172  252.728    203.936  192.602    453.949  267.931    228.267  24.393  10.219  22.034  7.7315  2.358641       12.81462  
1 1 1 7   79  19 o 34.882  6.6126  726.077    240.688  0.0000     0.0000   726.077    240.688  ?       ?       34.882  6.6126  0.000000       6.612611  
1 1 1 7   79  20 o 76.492  4.9944  3328.85    411.512  0.0000     0.0000   3328.85    411.512  ?       ?       76.492  4.9944  0.000000       4.994421  
1 1 1 7   79  21 o 51.997  6.0907  1594.39    336.515  0.0000     0.0000   1594.39    336.515  ?       ?       51.997  6.0907  0.000000       6.090692  
1 1 1 7   79  22 o 25.546  8.8486  412.422    298.534  0.0000     0.0000   412.422    298.534  ?       ?       25.546  8.8486  0.000000       8.848612  
1 1 1 7   79  23 o 23.328  8.3951  327.380    270.678  0.0000     0.0000   327.380    270.678  ?       ?       23.328  8.3951  0.000000       8.395065  
1 1 1 7   80  0  o 76.161  2.9294  3151.56    241.650  3163.81    339.696  3139.01    343.832  76.075  4.1382  75.764  4.2065  0.3115158      5.900836  
1 1 1 7   80  1  o 85.558  2.9867  3977.82    276.769  4011.60    391.873  3944.20    390.948  85.775  4.2181  85.048  4.2441  0.7271729      5.983715  
1 1 1 7   80  2  o 85.590  2.7582  3978.97    255.694  3951.96    330.713  4019.12    403.169  85.212  3.5833  85.723  4.3566  -0.5108490     5.640919  
1 1 1 7   80  3  o 103.118 3.2809  5783.27    366.440  5566.19    446.526  6231.00    641.263  101.046 4.0800  106.464 5.5805  -5.418144      6.912936  
1 1 1 7   80  4  f 136.968 4.4986  10244.44   667.369  10156.98   955.556  10327.72   932.473  135.773 6.4979  136.985 6.2848  -1.212067      9.039974  
1 1 1 7   80  5  o 103.646 4.1366  5860.20    464.379  5961.51    671.777  5767.48    642.652  103.961 5.9914  102.301 5.8241  1.659889       8.355645  
1 1 1 7   80  6  o 69.677  4.2277  2659.96    317.545  2897.46    469.347  2459.48    431.224  72.309  6.0483  66.582  6.0455  5.726974       8.551645  
1 1 1 7   80  7  o 60.767  3.5810  2018.85    234.649  1674.00    346.059  2312.34    319.248  54.837  5.9204  64.864  4.5735  -10.02655      7.481153  
1 1 1 7   80  8  o 127.638 3.1948  8868.43    441.667  9253.70    637.507  8512.83    612.468  130.043 4.5261  124.727 4.5337  5.316475       6.406288  
1 1 1 7   80  9  o 74.134  3.3422  2994.59    268.358  2790.10    407.780  3150.81    356.415  71.031  5.3394  75.759  4.3621  -4.727737      6.894727  
1 1 1 7   80  10 o 76.510  2.7682  3184.41    229.398  3168.86    291.865  3209.53    371.035  76.216  3.5356  76.402  4.5036  -0.1865616     5.725696  
1 1 1 7   80  11 o 71.054  2.7782  2747.61    213.807  2513.06    265.493  3180.43    360.651  67.742  3.6317  76.044  4.3975  -8.302238      5.703313  
1 1 1 7   80  12 o 48.214  4.5361  1287.49    234.096  915.821    391.876  1493.71    291.903  39.226  9.3551  51.771  5.2796  -12.54498      10.74204  
1 1 1 7   80  13 o 71.595  2.4997  2788.62    193.836  2608.52    573.584  2811.84    205.952  67.431  8.0102  71.873  2.6457  -4.441391      8.435825  
1 1 1 7   80  14 o 100.108 3.1251  5471.23    338.849  4962.10    736.701  5607.85    381.612  93.405  7.3411  101.252 3.4797  -7.847214      8.124098  
1 1 1 7   80  15 o 90.818  3.1947  4510.84    314.253  3866.77    679.723  4685.93    354.402  81.843  7.7607  92.461  3.5389  -10.61782      8.529497  
1 1 1 7   80  16 o 73.374  2.7544  2941.98    218.901  2249.27    595.370  3050.26    235.389  60.884  9.3255  74.673  2.9104  -13.78946      9.769135  
1 1 1 7   80  17 o 63.656  3.6785  2244.54    252.539  2259.32    556.796  2240.71    283.361  60.931  8.6825  63.410  4.1487  -2.478600      9.622806  
1 1 1 7   80  18 o 47.762  4.3644  1282.25    223.279  708.093    504.361  1422.20    249.008  32.975  11.497  50.207  4.6313  -17.23233      12.39462  
1 1 1 7   80  19 o 93.461  4.6580  4911.04    471.525  0.0000     0.0000   4911.04    471.525  ?       ?       93.461  4.6580  0.000000       4.658040  
1 1 1 7   80  20 o 80.557  4.6862  3676.57    407.107  0.0000     0.0000   3676.57    407.107  ?       ?       80.557  4.6862  0.000000       4.686164  
1 1 1 7   80  21 o 47.829  6.4566  1367.63    325.928  0.0000     0.0000   1367.63    325.928  ?       ?       47.829  6.4566  0.000000       6.456616  
1 1 1 7   80  22 o 60.679  6.0597  2179.63    392.925  0.0000     0.0000   2179.63    392.925  ?       ?       60.679  6.0597  0.000000       6.059699  
1 1 1 7   81  0  o 102.161 2.9809  5672.28    329.837  5731.34    474.296  5616.98    459.001  102.499 4.2723  101.488 4.1757  1.011269       5.974006  
1 1 1 7   81  1  o 20.316  7.0005  208.255    186.734  153.100    377.810  226.085    214.806  23.650  9.5492  21.391  7.5004  2.259769       12.14265  
1 1 1 7   81  2  o 40.317  4.0140  894.707    172.952  1001.37    245.101  788.926    244.084  42.404  5.4637  37.389  6.2479  5.015469       8.299931  
1 1 1 7   81  3  o 17.807  6.4021  148.008    157.380  237.266    243.528  83.996     206.231  22.255  7.9677  17.624  7.0765  4.630705       10.65654  
1 1 1 7   81  4  o 82.571  3.0538  3707.35    273.111  3793.32    409.667  3638.58    366.416  83.192  4.5640  81.555  4.1620  1.636902       6.176717  
1 1 1 7   81  5  o 21.310  7.5583  221.206    218.652  275.358    323.925  175.880    296.351  24.673  9.1353  22.061  8.5999  2.612486       12.54638  
1 1 1 7   81  6  o 86.306  4.2106  4068.26    393.605  3563.11    562.693  4552.25    550.781  80.043  6.5478  90.829  5.6263  -10.78638      8.633062  
1 1 1 7   81  7  o 127.458 4.4829  8887.53    618.858  8817.93    887.872  8953.29    863.050  126.091 6.5236  127.320 6.2585  -1.228874      9.040243  
1 1 1 7   81  8  o 118.254 3.1580  7614.04    404.482  7652.77    586.083  7578.82    558.931  118.203 4.5778  117.686 4.3849  0.5178909      6.339097  
1 1 1 7   81  9  f 130.584 3.2418  9290.48    458.504  9072.10    662.192  9491.59    635.478  128.596 4.7543  131.638 4.4571  -3.041992      6.516818  
1 1 1 7   81  10 o 28.483  6.6700  468.841    202.148  365.373    335.599  527.758    253.244  26.593  9.3712  30.101  7.7280  -3.507687      12.14667  
1 1 1 7   81  11 o 27.044  6.9986  424.137    206.575  733.241    347.138  254.662    257.041  35.188  9.0554  22.766  8.1821  12.42284       12.20437  
1 1 1 7   81  12 o 17.291  7.1516  55.782     218.249  115.482    451.305  37.558     249.344  24.390  10.202  17.952  7.5502  6.438734       12.69184  
1 1 1 7   81  13 o 11.268  5.2615  -146.9945  158.534  -324.6696  450.429  -121.8724  169.372  19.389  8.9909  12.148  5.5904  7.240748       10.58717  
1 1 1 7   81  14 o 67.717  3.2750  2507.26    240.203  2892.48    576.365  2426.29    264.245  70.915  7.6237  66.432  3.6869  4.482613       8.468420  
1 1 1 7   81  15 o 78.873  2.8212  3398.14    241.013  2878.23    366.794  3793.18    319.722  71.886  4.7375  83.123  3.5512  -11.23776      5.920759  
1 1 1 7   81  16 o 74.562  2.7606  3041.12    222.941  3235.28    608.685  3011.04    239.590  74.139  7.6920  74.130  2.9841  0.9315491E-02  8.250577  
1 1 1 7   81  17 o 31.704  5.9579  589.336    197.077  74.129     481.746  692.888    215.976  23.457  10.191  34.419  6.0123  -10.96141      11.83254  
1 1 1 7   81  18 o 17.384  7.0337  98.081     205.432  0.0000     0.0000   98.081     205.432  ?       ?       17.384  7.0337  0.000000       7.033707  
1 1 1 7   81  19 o 39.597  7.6624  961.851    316.745  0.0000     0.0000   961.851    316.745  ?       ?       39.597  7.6624  0.000000       7.662380  
1 1 1 7   81  20 o 71.628  5.1664  2940.66    398.127  0.0000     0.0000   2940.66    398.127  ?       ?       71.628  5.1664  0.000000       5.166449  
1 1 1 7   81  21 o 24.427  9.0827  350.236    320.874  0.0000     0.0000   350.236    320.874  ?       ?       24.427  9.0827  0.000000       9.082690  
1 1 1 7   81  22 o 48.398  6.6817  1417.40    340.915  0.0000     0.0000   1417.40    340.915  ?       ?       48.398  6.6817  0.000000       6.681688  
1 1 1 7   82  0  o 132.756 3.2064  9586.35    461.040  10268.64   658.912  8931.91    645.319  137.125 4.4365  127.833 4.6608  9.291534       6.434715  
1 1 1 7   82  1  o 127.880 3.1698  8894.66    439.041  8546.58    623.942  9236.02    617.896  125.052 4.6066  130.054 4.3865  -5.001266      6.361034  
1 1 1 7   82  2  o 80.513  2.6946  3521.74    234.977  3513.89    297.815  3534.69    382.456  80.345  3.4223  80.328  4.4128  0.1688385E-01  5.584348  
1 1 1 7   82  3  o 74.903  2.5785  3047.43    209.189  3001.84    267.279  3119.51    336.076  74.267  3.3228  75.497  4.1256  -1.230515      5.297264  
1 1 1 7   82  4  o 16.273  6.2645  98.108     155.727  173.656    251.846  51.342     198.148  20.913  7.9868  16.612  6.8367  4.301258       10.51328  
1 1 1 7   82  5  o 63.379  3.2604  2192.27    223.054  2244.17    336.018  2151.39    298.242  63.823  4.8983  62.580  4.4287  1.242653       6.603516  
1 1 1 7   82  6  o 118.673 4.3516  7700.67    559.337  7372.53    796.609  8019.77    785.552  115.307 6.4037  120.581 6.0149  -5.273361      8.785573  
1 1 1 7   82  7  o 125.551 4.4797  8628.92    609.174  8462.94    875.040  8785.01    848.575  123.417 6.5698  126.058 6.2151  -2.641464      9.043744  
1 1 1 7   82  8  o 20.347  7.8817  155.756    247.710  74.630     395.995  207.907    317.497  22.709  9.5310  23.083  8.9283  -0.3737411     13.05969  
1 1 1 7   82  9  o 38.263  5.9281  827.508    237.727  717.568    454.346  868.951    278.959  35.014  10.855  38.975  6.8586  -3.960888      12.84039  
1 1 1 7   82  10 o 70.701  3.4767  2728.40    266.231  2908.35    415.807  2603.36    346.590  72.426  5.3383  68.690  4.6865  3.735870       7.103574  
1 1 1 7   82  11 o 82.039  3.3493  3672.97    297.610  3504.32    453.261  3800.77    394.582  79.514  5.2933  83.112  4.3990  -3.598747      6.882562  
1 1 1 7   82  12 o 61.560  3.9450  2084.30    261.651  2112.28    395.892  2062.60    348.655  61.353  6.0357  60.850  5.3443  0.5030212      8.061708  
1 1 1 7   82  13 o 35.600  6.2160  727.283    230.959  1167.54    491.999  602.843    261.571  43.641  10.530  31.977  7.6542  11.66386       13.01786  
1 1 1 7   82  14 o 29.302  6.0271  497.933    184.900  -75.5853   482.417  596.692    200.187  22.411  9.9498  32.162  5.9664  -9.751087      11.60158  
1 1 1 7   82  15 o 44.552  4.5082  1111.66    214.546  1024.13    514.725  1130.07    236.027  39.769  11.376  44.774  4.9499  -5.004597      12.40612  
1 1 1 7   82  16 o 49.230  2.2907  1322.32    122.143  1017.56    519.823  1340.13    125.662  39.086  11.506  49.552  2.3414  -10.46614      11.74174  
1 1 1 7   82  17 o 92.735  3.2946  4735.11    330.910  3968.76    705.700  4951.10    374.652  81.291  8.1238  94.647  3.6547  -13.35565      8.908036  
1 1 1 7   82  18 o 42.608  6.1260  1062.71    274.579  0.0000     0.0000   1062.71    274.579  ?       ?       42.608  6.1260  0.000000       6.126017  
1 1 1 7   82  19 o 34.537  8.3670  755.772    309.684  0.0000     0.0000   755.772    309.684  ?       ?       34.537  8.3670  0.000000       8.366981  
1 1 1 7   82  20 o 24.585  8.4940  366.709    275.000  0.0000     0.0000   366.709    275.000  ?       ?       24.585  8.4940  0.000000       8.494000  
1 1 1 7   82  21 o 23.053  8.5921  301.290    287.486  0.0000     0.0000   301.290    287.486  ?       ?       23.053  8.5921  0.000000       8.592108  
1 1 1 7   83  0  o 89.052  3.0837  4313.27    297.427  4338.58    429.549  4289.96    412.237  89.105  4.4508  88.632  4.2943  0.4732666      6.184688  
1 1 1 7   83  1  o 59.302  3.2366  1919.27    207.103  1973.56    291.417  1863.88    294.383  59.921  4.5236  58.185  4.7117  1.735683       6.531669  
1 1 1 7   83  2  o 28.254  5.5354  453.162    163.336  427.717    234.172  477.271    227.939  27.329  7.6231  28.783  7.3005  -1.454020      10.55503  
1 1 1 7   83  3  o 106.076 3.0743  6121.11    353.207  5896.08    510.663  6327.51    489.058  103.832 4.5408  107.641 4.1948  -3.808853      6.181884  
1 1 1 7   83  4  o 76.445  3.0667  3179.56    253.917  3264.83    378.088  3109.51    342.701  77.119  4.5466  75.328  4.2174  1.791237       6.201429  
1 1 1 7   83  5  o 46.303  2.1753  1163.93    109.095  1148.33    120.697  1233.59    255.009  45.913  2.4358  47.152  5.0731  -1.238686      5.627555  
1 1 1 7   83  6  f 169.940 3.5848  15748.21   659.830  15595.67   941.240  15895.62   925.248  168.496 5.1575  170.172 5.0199  -1.675919      7.197206  
1 1 1 7   83  7  o 126.265 3.6689  8699.54    501.759  9466.59    625.474  7314.76    840.401  131.500 4.3915  114.545 6.8045  16.95432       8.098536  
1 1 1 7   83  8  o 49.061  5.7033  1345.73    297.403  1599.17    458.636  1161.83    390.673  52.696  8.3110  44.739  8.3700  7.957291       11.79534  
1 1 1 7   83  9  o 23.690  8.3638  284.514    267.445  145.625    435.766  368.443    338.747  24.562  10.127  26.681  9.4137  -2.118748      13.82675  
1 1 1 7   83  10 o 102.505 4.4812  5767.06    497.526  6506.76    777.364  5253.83    647.516  107.815 6.6900  97.072  6.1910  10.74310       9.115027  
1 1 1 7   83  11 o 70.356  3.5884  2712.34    272.533  2235.43    422.580  3051.97    356.606  63.078  6.2683  74.416  4.4447  -11.33814      7.684226  
1 1 1 7   83  12 o 70.392  2.7393  2699.71    208.845  2437.34    437.556  2777.12    237.664  65.801  6.2130  71.338  3.0759  -5.536438      6.932707  
1 1 1 7   83  13 o 87.195  3.7459  4171.10    353.765  4320.25    668.916  4113.19    416.828  87.015  7.1611  86.241  4.4779  0.7743835      8.445879  
1 1 1 7   83  14 f 114.677 3.2006  7203.42    397.541  5947.42    851.176  7553.84    449.590  101.147 7.8306  117.286 3.5392  -16.13920      8.593250  
1 1 1 7   83  15 o 91.221  2.9141  4557.64    287.918  3672.08    697.669  4739.42    316.090  78.456  8.3380  92.938  3.1401  -14.48204      8.909668  
1 1 1 7   83  16 o 19.886  6.8974  213.498    181.417  62.548     477.271  238.992    196.139  23.299  10.133  20.856  7.1753  2.443811       12.41638  
1 1 1 7   83  17 o 50.548  4.8132  1446.05    260.336  0.0000     0.0000   1446.05    260.336  ?       ?       50.548  4.8132  0.000000       4.813218  
1 1 1 7   83  18 o 79.116  4.6743  3530.02    398.763  0.0000     0.0000   3530.02    398.763  ?       ?       79.116  4.6743  0.000000       4.674280  
1 1 1 7   83  19 o 55.574  5.8131  1797.50    344.722  0.0000     0.0000   1797.50    344.722  ?       ?       55.574  5.8131  0.000000       5.813056  
1 1 1 7   83  20 o 58.804  5.8374  2023.60    366.878  0.0000     0.0000   2023.60    366.878  ?       ?       58.804  5.8374  0.000000       5.837401  
1 1 1 7   83  21 o 49.684  6.8369  1493.98    358.163  0.0000     0.0000   1493.98    358.163  ?       ?       49.684  6.8369  0.000000       6.836852  
1 1 1 7   84  0  o 67.155  3.1525  2454.07    229.300  2400.00    333.145  2502.74    316.085  66.059  4.6867  67.536  4.3442  -1.477615      6.390354  
1 1 1 7   84  1  o 55.167  3.4578  1664.24    205.568  1905.56    297.873  1444.79    284.053  58.816  4.7156  51.058  5.2095  7.757668       7.026760  
1 1 1 7   84  2  o 91.510  2.8418  4553.28    281.665  4475.60    371.251  4658.63    432.367  90.585  3.7839  92.319  4.3241  -1.733368      5.745918  
1 1 1 7   84  3  o 22.935  6.4498  299.030    166.923  417.013    259.504  215.759    218.011  27.123  8.1647  21.121  7.5412  6.002598       11.11447  
1 1 1 7   84  4  o 114.398 3.0761  7122.51    381.139  7148.02    552.355  7099.32    526.592  114.291 4.4621  113.952 4.2666  0.3394623      6.173635  
1 1 1 7   84  5  o 128.677 3.1626  9015.60    440.771  9219.82    635.896  8826.74    611.509  129.760 4.5246  126.987 4.4460  2.772202       6.343405  
1 1 1 7   84  6  o 116.433 3.0739  7381.02    387.644  7322.61    542.106  7442.13    554.528  115.669 4.3271  116.591 4.3913  -0.9218140     6.164968  
1 1 1 7   84  7  o 41.145  4.7353  940.841    207.176  994.958    311.948  898.134    277.116  41.688  7.1671  39.696  6.6828  1.992451       9.799321  
1 1 1 7   84  8  o 119.592 3.1843  7795.05    412.460  7773.24    589.569  7815.96    577.241  119.022 4.5734  119.386 4.4641  -0.3633881     6.390914  
1 1 1 7   84  9  o 71.583  4.6464  2825.74    358.293  2918.19    567.532  2764.48    462.001  71.782  7.4061  70.336  6.1256  1.445419       9.611140  
1 1 1 7   84  10 o 100.386 4.6391  5539.76    504.404  4920.22    786.131  5973.30    657.618  93.026  7.8763  103.618 5.8839  -10.59231      9.831351  
1 1 1 7   84  11 o 88.335  4.7256  4311.00    450.490  4097.16    720.656  4448.15    577.154  84.596  7.9588  89.196  6.0092  -4.599968      9.972558  
1 1 1 7   84  12 o 69.713  4.2575  2683.45    319.930  2234.23    661.762  2820.47    365.479  60.755  10.432  71.309  4.7594  -10.55362      11.46673  
1 1 1 7   84  13 o 80.142  3.9834  3536.05    345.771  3252.38    643.801  3651.05    409.908  74.632  8.0942  81.054  4.6892  -6.422356      9.354414  
1 1 1 7   84  14 o 84.090  3.2188  3878.81    293.161  3973.51    663.167  3855.81    326.829  82.549  7.4991  83.705  3.6049  -1.156517      8.320538  
1 1 1 7   84  15 o 5.8843  2.7789  -52.7289   46.443   754.959    489.375  -60.0696   46.654   34.194  11.334  5.7289  2.7286  28.46501       11.65803  
1 1 1 7   84  16 f 48.721  4.3687  1331.95    228.085  745.039    538.960  1460.00    251.739  33.847  11.880  50.926  4.6141  -17.07842      12.74451  
1 1 1 7   84  17 o 24.536  7.2193  362.822    204.689  0.0000     0.0000   362.822    204.689  ?       ?       24.536  7.2193  0.000000       7.219313  
1 1 1 7   84  18 o 37.381  7.4383  854.953    290.563  0.0000     0.0000   854.953    290.563  ?       ?       37.381  7.4383  0.000000       7.438288  
1 1 1 7   84  19 o 16.685  7.4467  -48.7550   273.898  0.0000     0.0000   -48.7550   273.898  ?       ?       16.685  7.4467  0.000000       7.446716  
1 1 1 7   84  20 o 31.066  8.3688  622.469    287.908  0.0000     0.0000   622.469    287.908  ?       ?       31.066  8.3688  0.000000       8.368778  
1 1 1 7   85  0  o 121.287 3.1990  8008.34    420.235  7863.64    594.746  8152.61    593.860  119.857 4.5814  122.065 4.4918  -2.207573      6.416049  
1 1 1 7   85  1  o 85.312  3.0444  3960.36    281.307  3724.46    402.770  4185.03    393.063  82.372  4.5319  87.520  4.1465  -5.147179      6.142621  
1 1 1 7   85  2  o 57.188  3.3802  1787.90    208.443  2007.03    299.190  1581.22    290.566  60.371  4.6104  53.443  5.0809  6.928619       6.860919  
1 1 1 7   85  3  o 65.497  3.2712  2336.48    232.058  2508.17    343.941  2193.01    314.403  67.490  4.7351  63.110  4.6319  4.380558       6.623912  
1 1 1 7   85  4  o 26.598  6.2473  406.606    176.911  129.277    270.649  613.495    233.764  20.409  8.1370  32.663  6.8275  -12.25445      10.62195  
1 1 1 7   85  5  o 19.118  6.8037  177.098    177.317  162.772    286.088  186.035    225.950  21.455  8.4251  20.504  7.6222  0.9506626      11.36134  
1 1 1 7   85  6  o 87.144  3.0793  4136.08    290.639  4101.19    426.610  4166.29    397.032  86.363  4.5771  87.248  4.2014  -0.8852997     6.213017  
1 1 1 7   85  7  o 82.639  3.2883  3723.38    294.326  3579.54    421.416  3860.37    411.250  80.569  4.8518  83.770  4.5497  -3.200104      6.651264  
1 1 1 7   85  8  o 67.259  3.4757  2475.53    252.337  2177.69    381.996  2706.11    336.108  62.513  5.7047  70.104  4.4496  -7.591335      7.234782  
1 1 1 7   85  9  o 106.272 3.1933  6159.20    367.564  5719.27    538.690  6542.45    502.792  101.932 4.8793  109.235 4.2497  -7.302483      6.470510  
1 1 1 7   85  10 o 80.847  3.9173  3581.02    343.022  3491.49    455.103  3698.78    521.950  79.274  5.3314  81.349  5.9655  -2.074791      8.000648  
1 1 1 7   85  11 o 18.542  7.8086  44.023     267.264  991.671    534.818  -271.4031  308.554  39.947  11.646  15.668  7.3243  24.27904       13.75729  
1 1 1 7   85  12 o 14.872  6.8774  -189.5181  260.906  -271.5436  484.056  -155.9299  309.752  20.526  9.4474  16.913  7.6984  3.612419       12.18680  
1 1 1 7   85  13 f 29.950  9.8035  537.576    366.540  0.0000     0.0000   537.576    366.540  ?       ?       29.950  9.8035  0.000000       9.803476  
1 1 1 7   85  14 o 27.822  1.1919  420.010    35.916   0.0000     0.0000   420.010    35.916   ?       ?       27.822  1.1919  0.000000       1.191853  
1 1 1 7   85  15 o 19.787  6.9879  206.794    186.703  31.325     486.145  237.152    202.210  23.137  10.141  20.902  7.2801  2.234919       12.48342  
1 1 1 7   85  16 o 42.112  4.9149  1008.43    219.959  1048.36    527.015  1000.000   242.049  39.290  11.591  41.692  5.4940  -2.402164      12.82686  
1 1 1 7   85  17 o 38.412  6.8604  882.937    274.950  0.0000     0.0000   882.937    274.950  ?       ?       38.412  6.8604  0.000000       6.860420  
1 1 1 7   85  18 o 45.681  6.4027  1234.79    308.086  0.0000     0.0000   1234.79    308.086  ?       ?       45.681  6.4027  0.000000       6.402727  
1 1 1 7   85  19 o 38.288  7.1350  896.858    285.000  0.0000     0.0000   896.858    285.000  ?       ?       38.288  7.1350  0.000000       7.134973  
1 1 1 7   85  20 o 38.062  7.5302  900.845    299.440  0.0000     0.0000   900.845    299.440  ?       ?       38.062  7.5302  0.000000       7.530184  
1 1 1 7   86  0  o 68.449  3.3057  2552.30    245.079  2800.42    358.499  2334.59    335.802  71.345  4.6650  65.084  4.7975  6.261124       6.691653  
1 1 1 7   86  1  f 35.066  1.9369  669.304    73.278   651.939    77.511   815.388    224.816  34.594  2.0783  38.089  5.6182  -3.495350      5.990325  
1 1 1 7   86  2  o 47.879  4.0023  1261.01    205.645  1265.04    297.636  1257.33    284.463  47.529  5.9093  47.449  5.6460  0.7987976E-01  8.172994  
1 1 1 7   86  3  o 73.712  3.1577  2959.27    252.106  3172.53    371.403  2777.05    343.314  75.964  4.5348  71.067  4.4832  4.896881       6.376733  
1 1 1 7   86  4  o 57.860  3.4783  1832.35    216.971  1712.16    329.932  1923.94    288.009  55.462  5.5675  59.080  4.5354  -3.618191      7.181009  
1 1 1 7   86  5  o 54.997  3.6559  1658.35    216.529  1326.40    340.590  1883.52    280.515  48.426  6.6706  58.459  4.4641  -10.03275      8.026547  
1 1 1 7   86  6  f 62.439  3.4230  2132.99    230.611  1705.50    345.319  2477.10    309.825  55.240  5.8612  67.117  4.2844  -11.87713      7.260119  
1 1 1 7   86  7  o 19.748  7.0346  190.385    189.599  196.262    291.948  186.099    249.334  22.217  8.5705  21.016  7.9657  1.200214       11.70067  
1 1 1 7   86  8  o 36.272  5.2419  739.976    199.960  861.793    317.286  659.714    257.543  38.444  7.8846  33.694  7.2704  4.749382       10.72495  
1 1 1 7   86  9  o 47.012  4.3656  1223.93    219.753  1379.13    347.343  1120.35    283.763  49.243  6.6853  44.507  6.0428  4.736347       9.011579  
1 1 1 7   86  10 o 34.973  6.0755  700.420    221.785  869.735    354.922  591.951    284.079  38.188  8.7663  31.607  8.2207  6.581366       12.01780  
1 1 1 7   86  11 o 61.673  3.8393  2096.58    255.188  2196.18    404.509  2030.73    328.894  62.329  6.0689  60.297  5.0835  2.032688       7.916634  
1 1 1 7   86  12 o 29.131  9.2713  505.150    329.298  1261.16    589.523  162.284    397.009  44.020  12.024  23.443  9.6661  20.57723       15.42789  
1 1 1 7   86  13 o 63.711  7.0144  2359.80    476.018  0.0000     0.0000   2359.80    476.018  ?       ?       63.711  7.0144  0.000000       7.014416  
1 1 1 7   86  14 o 22.749  7.6968  291.474    225.560  0.0000     0.0000   291.474    225.560  ?       ?       22.749  7.6968  0.000000       7.696752  
1 1 1 7   86  15 o 67.782  4.6081  2577.19    336.293  0.0000     0.0000   2577.19    336.293  ?       ?       67.782  4.6081  0.000000       4.608098  
1 1 1 7   86  16 o 87.966  3.7125  4283.78    353.710  0.0000     0.0000   4283.78    353.710  ?       ?       87.966  3.7125  0.000000       3.712475  
1 1 1 7   86  17 o 71.079  4.7182  2855.11    361.169  0.0000     0.0000   2855.11    361.169  ?       ?       71.079  4.7182  0.000000       4.718170  
1 1 1 7   86  18 o 58.329  5.0101  1943.94    313.446  0.0000     0.0000   1943.94    313.446  ?       ?       58.329  5.0101  0.000000       5.010101  
1 1 1 7   86  19 o 37.150  6.7244  835.362    260.613  0.0000     0.0000   835.362    260.613  ?       ?       37.150  6.7244  0.000000       6.724366  
1 1 1 7   87  0  o 46.991  3.7896  1213.31    191.235  1114.08    282.853  1296.86    259.541  44.517  6.0208  48.335  5.0313  -3.818626      7.846312  
1 1 1 7   87  1  o 43.312  4.1048  1034.75    190.261  1015.54    275.480  1052.27    263.088  42.424  6.1765  43.310  5.7506  -0.8860321     8.439137  
1 1 1 7   87  2  o 80.419  3.1203  3522.36    271.784  3366.32    394.949  3662.71    374.581  78.204  4.6843  81.701  4.2477  -3.496056      6.323388  
1 1 1 7   87  3  o 81.639  3.0896  3629.95    273.190  4012.76    401.376  3299.54    372.893  85.492  4.3490  77.473  4.4628  8.018913       6.231396  
1 1 1 7   87  4  o 33.054  1.9831  595.216    70.669   583.682    74.099   711.214    234.998  32.719  2.1021  35.298  6.3815  -2.579655      6.718840  
1 1 1 7   87  5  o 25.934  6.2481  387.575    173.427  655.852    278.825  218.294    221.484  33.531  7.8209  21.194  7.5975  12.33681       10.90357  
1 1 1 7   87  6  o 62.605  3.4540  2145.25    233.306  2234.63    347.272  2071.72    314.975  63.514  5.0909  61.221  4.7883  2.293026       6.988899  
1 1 1 7   87  7  o 132.099 3.2391  9518.44    463.436  9601.15    668.139  9441.75    643.358  132.162 4.6676  131.116 4.5303  1.045471       6.504583  
1 1 1 7   87  8  o 39.507  4.9164  872.943    205.823  741.205    326.348  959.953    265.222  35.364  8.6026  41.114  6.1444  -5.750664      10.57155  
1 1 1 7   87  9  o 52.581  2.2605  1503.50    128.736  1495.09    143.060  1539.26    295.174  52.407  2.5203  52.477  5.2642  -0.7043457E-01 5.836396  
1 1 1 7   87  10 o 7.4492  2.7316  24.145     28.847   24.375     29.056   8.4055     240.479  7.4798  2.7417  17.036  7.2989  -9.556406      7.796819  
1 1 1 7   87  11 o 81.772  3.4742  3667.95    307.698  2954.69    472.693  4192.41    405.333  72.213  6.1007  87.129  4.2952  -14.91631      7.461032  
1 1 1 7   87  12 o 33.569  6.4633  660.358    226.474  584.762    369.012  706.039    286.851  30.911  9.8120  34.201  7.9024  -3.290291      12.59858  
1 1 1 7   87  13 o 37.036  7.8867  829.488    306.670  576.073    504.384  978.112    386.269  31.197  11.425  39.653  9.1758  -8.455290      14.65337  
1 1 1 7   87  14 o 28.385  7.6523  488.901    240.615  0.0000     0.0000   488.901    240.615  ?       ?       28.385  7.6523  0.000000       7.652310  
1 1 1 7   87  15 o 50.208  5.6134  1446.51    300.035  0.0000     0.0000   1446.51    300.035  ?       ?       50.208  5.6134  0.000000       5.613424  
1 1 1 7   87  16 o 26.861  7.6790  442.725    234.609  0.0000     0.0000   442.725    234.609  ?       ?       26.861  7.6790  0.000000       7.678994  
1 1 1 7   87  17 o 17.016  7.3572  17.030     248.667  0.0000     0.0000   17.030     248.667  ?       ?       17.016  7.3572  0.000000       7.357229  
1 1 1 7   87  18 o 17.661  7.1121  113.474    208.963  0.0000     0.0000   113.474    208.963  ?       ?       17.661  7.1121  0.000000       7.112061  
1 1 1 7   87  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   88  0  o 69.360  2.5821  2615.62    193.978  2570.05    240.262  2700.95    328.745  68.676  3.2301  70.097  4.3515  -1.420837      5.419319  
1 1 1 7   88  1  o 31.184  1.7861  529.367    60.075   522.707    61.968   633.418    244.939  30.980  1.8553  33.120  7.0447  -2.139124      7.284958  
1 1 1 7   88  2  o 100.896 3.0941  5544.92    338.122  5643.46    481.166  5448.80    475.242  101.496 4.3770  99.725  4.3999  1.771774       6.206201  
1 1 1 7   88  3  o 46.654  4.0262  1199.03    201.458  1085.20    307.673  1284.45    266.542  43.701  6.7150  48.036  5.2063  -4.334858      8.496894  
1 1 1 7   88  4  o 35.736  4.8820  714.334    184.022  420.331    288.843  915.201    238.748  27.329  8.6816  40.347  5.6155  -13.01810      10.33945  
1 1 1 7   88  5  o ?       ?       -218.6150  33.517   -234.1343  33.939   394.477    213.316  ?       ?       26.138  7.2703  0.000000       7.270312  
1 1 1 7   88  6  o 57.220  3.7332  1797.76    230.098  1419.95    335.259  2134.21    316.377  50.150  6.3120  62.118  4.7381  -11.96785      7.892446  
1 1 1 7   88  7  o 39.925  4.9676  891.855    210.166  1074.35    320.213  753.749    278.561  43.236  7.0833  35.978  7.3955  7.257584       10.24047  
1 1 1 7   88  8  o 35.986  5.3765  732.399    203.133  831.722    324.731  668.549    260.362  37.510  8.2200  33.804  7.3229  3.705574       11.00874  
1 1 1 7   88  9  o 38.468  5.4245  837.858    219.736  933.169    340.059  769.535    287.916  39.668  8.1863  36.140  7.5966  3.528030       11.16797  
1 1 1 7   88  10 o 40.782  5.1683  939.178    223.163  1104.63    371.589  845.839    279.102  43.055  8.2690  38.026  7.0358  5.028629       10.85719  
1 1 1 7   88  11 o 115.882 3.3058  7367.40    414.924  7278.32    616.889  7441.00    560.708  114.244 4.9854  115.843 4.4689  -1.598778      6.695173  
1 1 1 7   88  12 o 63.951  2.8460  2238.21    197.133  2023.92    235.507  2739.82    360.315  60.519  3.6093  69.942  4.7851  -9.423538      5.993672  
1 1 1 7   88  13 o 49.282  5.2010  1377.21    273.422  1350.51    520.083  1387.41    321.426  45.752  10.688  49.020  6.1921  -3.267780      12.35227  
1 1 1 7   88  14 o 59.393  3.8941  1961.06    249.119  1673.48    567.013  2029.85    277.319  50.855  10.636  60.272  4.2758  -9.416988      11.46342  
1 1 1 7   88  15 o 13.606  6.2951  -151.4531  219.000  0.0000     0.0000   -151.4531  219.000  ?       ?       13.606  6.2951  0.000000       6.295074  
1 1 1 7   88  16 o 28.671  8.0851  512.158    261.927  0.0000     0.0000   512.158    261.927  ?       ?       28.671  8.0851  0.000000       8.085091  
1 1 1 7   88  17 f 46.223  5.6664  1241.74    277.743  0.0000     0.0000   1241.74    277.743  ?       ?       46.223  5.6664  0.000000       5.666371  
1 1 1 7   88  18 o 24.356  9.6208  301.297    375.112  0.0000     0.0000   301.297    375.112  ?       ?       24.356  9.6208  0.000000       9.620804  
1 1 1 7   89  0  o 48.346  4.0308  1287.06    209.143  1163.82    306.177  1394.87    286.362  45.374  6.4084  50.037  5.3677  -4.662663      8.359469  
1 1 1 7   89  1  f 45.864  4.1621  1160.58    204.502  842.312    285.440  1496.24    293.132  38.265  7.1500  51.856  5.2933  -13.59093      8.896159  
1 1 1 7   89  2  o 85.386  3.0648  3971.95    283.438  4084.87    404.854  3863.39    396.947  86.226  4.3490  83.840  4.3866  2.386421       6.177054  
1 1 1 7   89  3  o 24.166  6.2311  336.377    164.144  369.203    278.053  318.818    203.361  25.912  8.5413  23.763  7.2445  2.148909       11.19981  
1 1 1 7   89  4  o 51.739  3.8473  1472.18    214.053  1374.01    341.296  1535.84    274.824  49.257  6.5603  52.614  4.8781  -3.356201      8.175200  
1 1 1 7   89  5  o 42.214  4.3033  987.609    194.007  1019.13    305.241  966.248    251.294  42.165  6.9242  41.381  5.7632  0.7842560      9.008810  
1 1 1 7   89  6  o 24.409  6.8922  343.718    190.211  248.702    283.276  421.731    256.684  23.051  8.5413  27.025  8.1168  -3.973322      11.78292  
1 1 1 7   89  7  o 45.307  4.3697  1139.18    211.774  1199.61    332.514  1097.94    274.690  45.710  6.9339  44.036  5.9082  1.673286       9.109658  
1 1 1 7   89  8  o 35.919  5.4195  732.267    204.277  775.425    327.978  704.914    261.108  35.978  8.5437  34.683  7.1870  1.295895       11.16463  
1 1 1 7   89  9  o 57.143  4.0042  1806.07    246.262  2130.82    374.625  1558.96    326.788  61.467  5.6917  52.440  5.8534  9.026604       8.164430  
1 1 1 7   89  10 o 58.113  4.0323  1872.08    252.233  1555.18    407.057  2069.60    321.365  51.481  7.5223  60.780  4.9239  -9.299778      8.990554  
1 1 1 7   89  11 o 18.710  7.2115  146.879    206.564  168.088    354.530  135.979    254.161  22.509  9.1904  19.661  7.8695  2.847822       12.09929  
1 1 1 7   89  12 o 51.008  4.5617  1458.48    249.357  1411.05    401.011  1488.38    318.399  48.603  7.8881  50.979  5.8740  -2.375854      9.834942  
1 1 1 7   89  13 o 57.243  4.6886  1840.91    288.147  1788.43    534.490  1862.41    342.120  53.567  9.5632  57.148  5.5992  -3.580704      11.08176  
1 1 1 7   89  14 o 25.180  7.1690  381.241    204.917  -221.2280  503.909  500.610    224.300  20.891  9.6243  28.746  7.2152  -7.855286      12.02858  
1 1 1 7   89  15 o 29.519  7.8149  538.234    253.787  0.0000     0.0000   538.234    253.787  ?       ?       29.519  7.8149  0.000000       7.814909  
1 1 1 7   89  16 o 40.018  6.7511  957.492    282.200  0.0000     0.0000   957.492    282.200  ?       ?       40.018  6.7511  0.000000       6.751054  
1 1 1 7   89  17 o 16.779  7.3282  -0.6661    251.884  0.0000     0.0000   -0.6661    251.884  ?       ?       16.779  7.3282  0.000000       7.328204  
1 1 1 7   89  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   90  0  o 12.583  5.6349  -65.9044   158.247  -57.3978   252.604  -71.3995   203.024  16.494  7.2673  14.419  6.4249  2.075828       9.700177  
1 1 1 7   90  1  o 50.569  2.1156  1389.06    115.874  1408.64    127.007  1291.83    283.013  50.909  2.3033  48.044  5.5402  2.865162       5.999953  
1 1 1 7   90  2  o 48.306  4.1152  1287.51    213.259  1217.66    308.837  1351.18    294.837  46.391  6.3102  49.108  5.6459  -2.716496      8.467282  
1 1 1 7   90  3  o 116.723 3.1402  7430.27    397.001  7255.80    573.930  7590.35    549.740  114.881 4.6126  117.609 4.3157  -2.728371      6.316699  
1 1 1 7   90  4  o 53.717  3.6970  1585.81    213.785  1763.57    328.888  1455.74    281.327  56.194  5.4731  51.100  5.1534  5.093887       7.517489  
1 1 1 7   90  5  f 36.733  4.9756  757.707    192.862  1045.31    319.723  593.199    241.810  42.556  7.1928  31.864  7.1788  10.69228       10.16225  
1 1 1 7   90  6  o 42.349  4.3706  997.111    197.589  1052.62    291.935  950.188    268.412  42.890  6.4869  40.777  6.2788  2.113258       9.027906  
1 1 1 7   90  7  o 56.912  3.7918  1785.39    232.397  1977.72    359.252  1646.98    304.750  59.297  5.6625  54.212  5.2562  5.084915       7.726009  
1 1 1 7   90  8  o 41.341  4.8267  959.843    212.053  1271.52    338.657  758.833    271.968  46.894  6.8716  35.899  7.2445  10.99500       9.985067  
1 1 1 7   90  9  o 15.570  6.5915  23.977     192.062  120.150    321.180  -29.5574   239.628  21.071  8.6918  16.273  7.1262  4.798025       11.23965  
1 1 1 7   90  10 o 14.255  6.4237  -86.2034   209.261  -185.5914  346.318  -29.0475   262.626  17.544  8.0438  16.997  7.4514  0.5469494      10.96474  
1 1 1 7   90  11 o 60.724  3.9761  2046.03    260.065  1929.21    419.221  2119.12    331.579  57.628  6.8507  61.368  5.0328  -3.740681      8.500659  
1 1 1 7   90  12 o 26.398  7.4519  418.543    222.386  393.579    370.228  432.635    278.157  26.711  9.7873  26.872  8.5177  -0.1609688     12.97466  
1 1 1 7   90  13 o 14.918  6.7343  -91.1806   231.182  -93.2656   447.377  -90.4210   270.029  20.932  9.4161  16.242  7.3099  4.690418       11.92053  
1 1 1 7   90  14 o 49.847  4.7360  1405.17    252.627  0.0000     0.0000   1405.17    252.627  ?       ?       49.847  4.7360  0.000000       4.736031  
1 1 1 7   90  15 o 13.982  6.5562  -212.8157  250.482  0.0000     0.0000   -212.8157  250.482  ?       ?       13.982  6.5562  0.000000       6.556188  
1 1 1 7   90  16 o 43.737  5.8011  1115.79    268.031  0.0000     0.0000   1115.79    268.031  ?       ?       43.737  5.8011  0.000000       5.801112  
1 1 1 7   90  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   91  0  o 62.879  3.3566  2164.88    227.773  2240.41    318.611  2085.93    325.745  63.653  4.6536  61.326  4.9462  2.327877       6.791270  
1 1 1 7   91  1  o 35.348  4.7767  699.925    178.195  528.740    249.229  878.957    254.877  30.035  7.6425  39.294  6.1938  -9.259197      9.837260  
1 1 1 7   91  2  o 43.303  4.3060  1039.57    199.280  1203.29    299.565  909.604    266.903  46.106  6.1523  39.915  6.3892  6.190670       8.869819  
1 1 1 7   91  3  o 38.323  4.7528  821.252    193.046  967.149    300.469  718.694    251.919  40.953  7.0269  35.232  6.8483  5.720993       9.812090  
1 1 1 7   91  4  o 49.624  3.9117  1358.80    208.539  1231.45    321.784  1451.03    273.825  46.438  6.5819  50.993  5.0230  -4.555080      8.279616  
1 1 1 7   91  5  o 83.568  3.1933  3816.72    289.039  3792.77    439.184  3835.02    383.898  82.651  4.9284  83.368  4.2658  -0.7170715     6.518176  
1 1 1 7   91  6  o 13.336  5.8961  -44.2557   167.691  37.772     252.267  -109.1973  224.461  17.911  7.5668  14.584  6.6048  3.326822       10.04392  
1 1 1 7   91  7  o 13.561  2.1311  102.466    30.270   102.085    30.527   124.813    233.584  13.531  2.1552  19.018  7.5666  -5.486723      7.867593  
1 1 1 7   91  8  o 58.962  3.8200  1922.06    242.644  1911.30    376.582  1929.70    317.287  57.899  6.0967  58.639  5.0448  -0.7404633     7.913294  
1 1 1 7   91  9  o 88.915  3.2963  4338.27    317.450  4189.74    476.439  4456.86    425.714  86.451  5.1109  89.671  4.3832  -3.220093      6.733085  
1 1 1 7   91  10 o 38.469  5.5765  848.018    225.578  798.918    380.345  874.661    280.174  35.717  9.6177  38.523  6.9715  -2.806309      11.87864  
1 1 1 7   91  11 o 9.8025  2.8174  53.779     31.503   54.481     31.714   1.6245     273.492  9.8619  2.8246  17.755  7.6962  -7.892958      8.198162  
1 1 1 7   91  12 o 47.438  5.0930  1276.52    257.585  1271.22    401.800  1280.21    335.625  45.650  8.4372  46.694  6.8390  -1.043873      10.86079  
1 1 1 7   91  13 o 35.079  8.5619  767.315    322.450  0.0000     0.0000   767.315    322.450  ?       ?       35.079  8.5619  0.000000       8.561867  
1 1 1 7   91  14 o 41.872  6.1964  1026.94    272.532  0.0000     0.0000   1026.94    272.532  ?       ?       41.872  6.1964  0.000000       6.196444  
1 1 1 7   91  15 o 24.693  8.1671  365.901    254.147  0.0000     0.0000   365.901    254.147  ?       ?       24.693  8.1671  0.000000       8.167130  
1 1 1 7   91  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   91  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   92  0  o 67.855  3.4519  2524.53    252.858  2462.24    353.258  2589.98    362.097  66.585  4.9334  68.302  4.9278  -1.716293      6.972882  
1 1 1 7   92  1  o 47.885  4.0322  1267.39    207.182  1044.09    297.294  1478.23    288.887  42.669  6.6496  51.397  5.2637  -8.728111      8.480737  
1 1 1 7   92  2  o 27.603  6.2796  442.708    183.508  544.334    280.356  366.528    242.731  30.301  8.2985  25.329  7.9477  4.971563       11.49049  
1 1 1 7   92  3  o 57.757  3.6125  1834.73    224.850  1813.77    341.054  1850.85    299.042  56.815  5.6158  57.666  4.8324  -0.8504333     7.408743  
1 1 1 7   92  4  o 26.473  6.5440  409.910    186.566  326.816    308.938  457.609    234.066  25.034  8.9730  27.846  7.5644  -2.812576      11.73604  
1 1 1 7   92  5  o 29.019  6.0797  489.326    184.973  218.264    296.877  661.325    236.486  22.465  8.6492  33.649  6.7240  -11.18334      10.95541  
1 1 1 7   92  6  o 15.823  1.7398  137.661    29.323   136.828    29.537   194.702    244.382  15.772  1.7590  20.815  7.8870  -5.042932      8.080750  
1 1 1 7   92  7  o 64.346  3.6135  2282.91    250.823  2022.87    383.339  2477.58    331.678  59.619  6.0189  66.673  4.6215  -7.054653      7.588508  
1 1 1 7   92  8  f 50.242  4.2406  1405.74    228.604  1697.63    361.174  1210.65    295.279  54.427  6.2395  45.926  6.0860  8.500668       8.716161  
1 1 1 7   92  9  o 49.394  4.4193  1363.36    233.927  1332.27    373.151  1383.48    300.253  47.503  7.5016  49.252  5.7359  -1.749210      9.443258  
1 1 1 7   92  10 o 59.366  4.0339  1957.73    257.840  2032.12    417.613  1911.91    327.774  59.273  6.6180  58.158  5.2604  1.114731       8.453946  
1 1 1 7   92  11 o 21.489  7.4615  252.029    212.332  166.198    368.416  294.719    259.826  22.636  9.3200  23.239  8.2396  -0.6028786     12.43997  
1 1 1 7   92  12 o 51.056  2.5209  1425.06    139.404  1380.13    154.219  1625.74    325.955  50.100  2.8538  53.233  5.7444  -3.132835      6.414207  
1 1 1 7   92  13 o 22.762  8.5189  266.586    283.180  0.0000     0.0000   266.586    283.180  ?       ?       22.762  8.5189  0.000000       8.518853  
1 1 1 7   92  14 o 21.228  7.8438  233.579    238.566  0.0000     0.0000   233.579    238.566  ?       ?       21.228  7.8438  0.000000       7.843772  
1 1 1 7   92  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   92  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   93  0  o 35.631  4.8838  715.033    183.517  924.396    278.839  555.048    243.750  40.017  6.6679  30.650  7.4215  9.366962       9.977008  
1 1 1 7   93  1  o 112.786 3.0709  6951.04    375.144  6759.89    534.291  7136.91    526.854  110.679 4.4570  113.809 4.2741  -3.129906      6.175164  
1 1 1 7   93  2  o 56.998  3.6592  1789.53    224.708  1768.61    333.987  1806.84    303.734  56.047  5.5759  56.871  4.9812  -0.8242950     7.476796  
1 1 1 7   93  3  o 87.920  2.7977  4219.53    266.417  4286.12    353.022  4131.41    406.064  88.353  3.6890  86.410  4.3527  1.943230       5.705654  
1 1 1 7   93  4  o 79.984  3.1918  3502.23    276.508  3262.66    410.131  3701.87    374.390  76.463  4.9794  81.792  4.2407  -5.329369      6.540470  
1 1 1 7   93  5  o 114.721 3.0857  7203.15    383.409  7523.07    534.482  6864.00    550.308  116.704 4.2284  111.294 4.5652  5.409485       6.222622  
1 1 1 7   93  6  o 73.174  3.3345  2937.09    264.277  2664.98    392.236  3163.32    357.645  68.852  5.3004  75.467  4.3945  -6.614822      6.885182  
1 1 1 7   93  7  o 55.534  3.9276  1708.70    234.715  1839.08    365.146  1616.89    306.403  56.786  6.0291  53.497  5.3601  3.288666       8.067277  
1 1 1 7   93  8  o 96.021  3.2270  5057.18    335.610  5139.19    499.199  4989.54    453.354  96.063  4.7978  94.856  4.4127  1.207367       6.518513  
1 1 1 7   93  9  o 69.447  3.6509  2663.77    273.648  2316.56    422.946  2913.78    358.890  63.573  6.2222  72.229  4.6116  -8.656334      7.744836  
1 1 1 7   93  10 o 29.267  6.9913  512.733    218.578  479.582    375.374  529.739    268.861  28.500  9.9194  29.466  8.1501  -0.9653912     12.83817  
1 1 1 7   93  11 o 19.773  7.3821  188.117    212.394  12.173     372.586  272.816    258.510  20.456  8.9239  22.649  8.1966  -2.193310      12.11692  
1 1 1 7   93  12 o 26.818  1.4250  391.823    41.244   -175.9545  633.751  394.238    41.332   23.745  10.885  26.901  1.4236  -3.156754      10.97760  
1 1 1 7   93  13 o 37.521  9.7034  911.472    397.278  0.0000     0.0000   911.472    397.278  ?       ?       37.521  9.7034  0.000000       9.703420  
1 1 1 7   93  14 o 42.302  10.482  1193.27    477.780  0.0000     0.0000   1193.27    477.780  ?       ?       42.302  10.482  0.000000       10.48154  
1 1 1 7   93  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   94  0  o 49.456  3.8609  1353.21    205.177  1343.18    284.699  1364.04    295.956  48.755  5.4866  49.068  5.6734  -0.3121109     7.892457  
1 1 1 7   94  1  o 16.537  6.6111  86.328     179.129  12.000     262.600  151.012    244.972  17.735  7.6136  19.867  7.7979  -2.131950      10.89835  
1 1 1 7   94  2  o 43.553  4.3696  1058.33    203.347  924.363    306.803  1163.29    271.563  39.602  7.4255  45.252  5.6649  -5.649178      9.339599  
1 1 1 7   94  3  o 53.399  3.8092  1576.55    218.867  1687.22    334.670  1493.84    289.311  54.559  5.7501  51.495  5.2611  3.063972       7.793741  
1 1 1 7   94  4  o 33.036  1.5803  592.704    56.545   609.167    57.950   265.526    258.341  33.490  1.5976  22.705  8.1975  10.78517       8.351675  
1 1 1 7   94  5  o 11.973  5.5886  -157.9094  178.589  29.194     304.087  -256.4240  220.652  19.173  8.2108  12.550  5.9649  6.622987       10.14874  
1 1 1 7   94  6  o 49.024  4.1755  1337.46    219.602  1188.96    335.160  1449.17    290.694  45.079  7.0993  50.610  5.3858  -5.530823      8.911058  
1 1 1 7   94  7  o 59.637  2.5237  1941.16    163.013  1935.90    189.596  1956.06    319.232  59.473  2.9433  58.989  5.0450  0.4843063      5.840816  
1 1 1 7   94  8  o 24.055  7.2084  340.433    202.616  363.123    333.505  327.158    255.089  25.787  9.3133  24.075  8.1849  1.711456       12.39880  
1 1 1 7   94  9  o 90.747  3.3267  4526.10    326.974  4517.19    493.441  4533.08    436.585  89.644  5.1032  90.289  4.4644  -0.6449738     6.780418  
1 1 1 7   94  10 o 59.731  2.6167  1951.00    169.288  1936.74    196.979  1991.29    331.109  59.326  3.0761  59.300  5.2080  0.2611923E-01  6.048554  
1 1 1 7   94  11 o 61.981  4.0673  2140.96    271.529  2242.45    440.682  2078.85    344.744  62.012  6.6658  60.472  5.3175  1.539631       8.526932  
1 1 1 7   94  12 o 79.998  5.4829  3647.53    472.205  3111.67    784.576  3951.88    591.289  69.189  10.824  82.301  6.6911  -13.11174      12.72538  
1 1 1 7   94  13 o 46.609  8.7655  1358.36    426.261  0.0000     0.0000   1358.36    426.261  ?       ?       46.609  8.7655  0.000000       8.765489  
1 1 1 7   94  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   95  0  o 55.652  3.6253  1708.67    217.332  1840.92    322.957  1599.21    293.814  57.207  5.2716  53.335  5.1502  3.871750       7.369860  
1 1 1 7   95  1  o 71.584  3.3525  2809.88    259.926  2581.92    376.470  3017.52    359.311  67.868  5.1601  73.679  4.5244  -5.811226      6.862722  
1 1 1 7   95  2  o 37.592  4.9479  798.551    196.564  912.658    299.629  712.341    260.439  39.365  7.2962  34.725  7.1624  4.640015       10.22421  
1 1 1 7   95  3  o 27.369  6.4294  440.520    187.349  608.674    294.739  326.517    242.686  31.694  8.4368  24.041  7.9823  7.653015       11.61449  
1 1 1 7   95  4  o 48.790  4.0558  1322.27    212.386  1405.05    328.348  1262.73    278.491  49.482  6.2670  47.159  5.5591  2.323483       8.377276  
1 1 1 7   95  5  o 26.181  6.6720  405.262    189.743  319.678    302.068  461.038    243.856  24.553  8.8642  27.754  7.7924  -3.201616      11.80230  
1 1 1 7   95  6  o 53.546  3.9748  1591.04    228.876  1324.96    329.542  1838.98    318.118  47.856  6.5281  57.120  5.1989  -9.263515      8.345320  
1 1 1 7   95  7  o 15.814  6.6396  37.699     192.299  -27.9951   318.281  75.465     241.324  18.640  8.1866  18.113  7.5081  0.5272522      11.10816  
1 1 1 7   95  8  o 42.834  4.9084  1037.43    223.609  870.265    357.757  1144.61    286.457  37.479  8.9385  44.533  6.0992  -7.053696      10.82115  
1 1 1 7   95  9  o 29.787  1.8240  484.537    58.563   524.676    352.930  483.400    59.386   29.295  9.6212  29.748  1.8523  -0.4530144     9.797928  
1 1 1 7   95  10 o 59.909  4.1202  2001.34    265.724  2121.32    409.899  1914.37    348.988  60.530  6.3466  57.869  5.6397  2.661804       8.490308  
1 1 1 7   95  11 o 28.927  8.3352  517.591    275.414  236.891    650.130  578.984    304.044  27.752  11.948  30.426  8.7550  -2.673735      14.81219  
1 1 1 7   95  12 o 40.926  9.1967  1064.29    397.732  0.0000     0.0000   1064.29    397.732  ?       ?       40.926  9.1967  0.000000       9.196726  
1 1 1 7   95  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   95  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   96  0  o 43.788  4.2634  1069.15    199.636  1131.95    299.771  1019.10    267.614  44.293  6.4371  42.144  6.0351  2.149242       8.823771  
1 1 1 7   96  1  o 16.070  6.4948  73.684     174.952  -12.1461   248.121  158.548    246.723  16.843  7.3158  20.029  7.8359  -3.185240      10.72021  
1 1 1 7   96  2  o 53.439  3.8458  1580.67    221.105  1635.15    331.163  1536.84    297.000  53.643  5.7917  52.176  5.3303  1.466530       7.871243  
1 1 1 7   96  3  o 51.422  3.7693  1463.38    208.470  1658.30    332.287  1336.86    267.710  54.016  5.7688  48.681  5.1558  5.335270       7.737042  
1 1 1 7   96  4  o 92.109  3.1954  4651.06    318.781  4757.34    461.674  4554.21    440.705  92.551  4.6056  90.609  4.4906  1.941734       6.432486  
1 1 1 7   96  5  o 74.584  3.3560  3054.94    271.108  3436.09    403.603  2741.57    365.964  78.413  4.7750  69.973  4.8589  8.440216       6.812436  
1 1 1 7   96  6  o 20.184  6.9465  219.408    183.838  72.412     278.346  333.143    244.838  19.092  8.0008  24.135  8.0178  -5.043123      11.32682  
1 1 1 7   96  7  o 111.573 3.1861  6832.64    385.022  6854.83    558.958  6812.60    531.115  110.920 4.6526  110.723 4.4287  0.1964188      6.423454  
1 1 1 7   96  8  o 75.055  3.4955  3103.01    284.156  3195.23    434.682  3034.20    375.497  75.133  5.3771  73.563  4.7380  1.570198       7.166719  
1 1 1 7   96  9  o 49.850  4.4846  1395.49    239.543  1598.15    385.726  1268.28    305.619  52.116  7.0113  46.765  6.1855  5.351044       9.349792  
1 1 1 7   96  10 o 48.437  5.7054  1349.40    293.581  1112.49    662.503  1407.29    327.491  39.624  13.190  49.177  6.2928  -9.553604      14.61432  
1 1 1 7   96  11 o 48.611  8.1589  1442.95    414.355  0.0000     0.0000   1442.95    414.355  ?       ?       48.611  8.1589  0.000000       8.158934  
1 1 1 7   96  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   96  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   97  0  o 27.487  6.4535  445.244    188.843  648.756    250.525  177.449    287.381  33.042  7.2035  21.320  8.4211  11.72174       11.08177  
1 1 1 7   97  1  o 88.032  3.2090  4248.53    305.967  4055.61    443.087  4424.37    423.016  85.237  4.8192  89.371  4.3701  -4.134407      6.505532  
1 1 1 7   97  2  o 37.971  4.9700  816.509    199.491  891.729    302.462  758.592    265.403  38.736  7.4799  35.811  7.0934  2.925320       10.30855  
1 1 1 7   97  3  o 17.324  6.7286  118.108    180.905  217.053    287.698  53.403     232.655  22.085  8.5111  17.461  7.3158  4.624067       11.22318  
1 1 1 7   97  4  o 36.369  5.3044  755.232    202.798  887.477    329.768  674.800    257.178  38.289  8.1991  33.635  7.2713  4.653275       10.95884  
1 1 1 7   97  5  o 19.363  7.0147  187.559    189.402  -139.3599  296.201  413.690    246.347  16.535  7.5268  26.336  7.9611  -9.801706      10.95593  
1 1 1 7   97  6  o 64.264  3.6397  2283.22    252.299  2465.18    361.747  2110.87    352.059  66.153  5.0878  61.048  5.3794  5.105194       7.404327  
1 1 1 7   97  7  o 24.212  1.1718  318.086    30.729   324.782    30.934   -183.0293  267.592  24.466  1.1673  15.032  6.9560  9.434586       7.053266  
1 1 1 7   97  8  o 29.895  6.7245  533.557    212.458  222.361    348.693  717.301    267.936  23.137  9.2325  34.494  7.3938  -11.35650      11.82827  
1 1 1 7   97  9  o 26.635  7.2663  428.837    215.440  137.380    358.805  593.156    269.411  21.880  9.1193  31.063  7.9687  -9.183245      12.11039  
1 1 1 7   97  10 o 38.954  9.1420  960.339    379.081  0.0000     0.0000   960.339    379.081  ?       ?       38.954  9.1420  0.000000       9.141968  
1 1 1 7   97  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   97  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   98  0  o 119.400 3.1761  7816.61    410.747  7308.90    583.450  8315.48    578.352  114.623 4.6996  122.489 4.3594  -7.865082      6.410185  
1 1 1 7   98  1  o 73.591  3.4663  2976.62    276.290  2887.05    393.162  3064.01    388.349  71.704  5.0956  73.990  4.8733  -2.285095      7.050777  
1 1 1 7   98  2  o 44.569  4.4251  1112.17    210.788  932.925    316.321  1255.34    282.703  39.518  7.6669  46.905  5.6805  -7.386997      9.542021  
1 1 1 7   98  3  o 21.639  6.9799  266.138    186.164  206.337    295.178  305.635    239.890  21.979  8.5787  23.355  7.9373  -1.375853      11.68738  
1 1 1 7   98  4  o 42.796  4.3800  1026.68    200.163  743.272    324.288  1201.11    254.409  34.732  8.6525  46.021  5.1948  -11.28949      10.09218  
1 1 1 7   98  5  o 75.272  2.7438  3099.65    223.700  3239.48    279.609  2851.00    372.870  76.757  3.3633  71.277  4.8588  5.479752       5.909314  
1 1 1 7   98  6  o 48.490  4.3346  1316.23    225.251  1285.63    346.160  1338.70    296.646  46.712  7.0624  48.309  5.7845  -1.596550      9.128934  
1 1 1 7   98  7  o 42.886  5.1209  1046.55    233.162  1079.34    359.219  1022.67    306.503  42.107  8.1713  41.525  7.0681  0.5824585      10.80405  
1 1 1 7   98  8  o 16.912  6.8784  84.484     197.625  403.004    316.263  -119.5642  253.131  26.266  9.1070  15.285  6.9580  10.98129       11.46086  
1 1 1 7   98  9  o 25.717  8.7134  391.008    289.085  0.0000     0.0000   391.008    289.085  ?       ?       25.717  8.7134  0.000000       8.713359  
1 1 1 7   98  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   98  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   99  0  o 31.687  6.0327  585.869    199.482  576.138    286.570  595.016    277.852  30.706  8.3819  31.255  8.1305  -0.5489731     11.67735  
1 1 1 7   99  1  o 39.156  5.0748  870.897    210.161  812.364    313.318  918.772    283.360  36.575  8.1208  39.519  6.8695  -2.943943      10.63662  
1 1 1 7   99  2  o 32.549  5.8689  615.630    199.290  550.431    306.210  663.540    262.491  29.968  8.8335  33.222  7.4756  -3.254087      11.57217  
1 1 1 7   99  3  o 51.489  4.0149  1474.99    222.135  1627.03    340.724  1362.60    292.953  53.250  6.0129  48.849  5.6407  4.401104       8.244562  
1 1 1 7   99  4  o 82.233  3.6902  3730.41    328.678  3609.13    604.425  3781.32    391.645  78.656  7.1738  82.365  4.4061  -3.709602      8.418826  
1 1 1 7   99  5  f 74.706  3.3818  3070.89    273.639  2936.57    400.643  3188.34    374.633  72.137  5.1619  75.487  4.6041  -3.349480      6.916856  
1 1 1 7   99  6  o 119.347 3.2480  7831.10    419.855  7737.89    608.438  7915.82    580.104  117.615 4.7762  119.177 4.4941  -1.562302      6.558121  
1 1 1 7   99  7  o 45.626  4.7551  1176.51    231.530  847.994    367.527  1392.66    298.125  36.633  9.2586  49.257  5.6930  -12.62391      10.86886  
1 1 1 7   99  8  o 20.774  8.0611  191.737    259.453  0.0000     0.0000   191.737    259.453  ?       ?       20.774  8.0611  0.000000       8.061072  
1 1 1 7   99  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   99  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   100 0  o 29.685  6.0431  516.557    187.692  576.177    284.331  470.513    249.870  30.673  8.3392  27.891  7.9079  2.781744       11.49251  
1 1 1 7   100 1  o 24.532  6.7511  357.244    185.029  639.602    297.459  179.042    236.311  32.261  8.4224  20.120  7.7240  12.14048       11.42792  
1 1 1 7   100 2  o 19.313  6.8942  192.050    182.197  373.956    265.923  31.106     250.132  25.305  8.3535  17.525  7.4745  7.779339       11.20929  
1 1 1 7   100 3  o 23.889  6.9751  337.991    191.730  262.534    302.564  388.622    247.843  23.159  8.7756  25.570  8.0322  -2.410849      11.89657  
1 1 1 7   100 4  o 68.876  3.4788  2619.26    258.674  2663.61    389.881  2584.38    345.728  68.611  5.2873  67.866  4.7330  0.7447281      7.096244  
1 1 1 7   100 5  o 62.923  3.8578  2197.99    261.648  1883.07    383.318  2472.71    358.028  57.061  6.3078  66.200  5.0310  -9.138828      8.068384  
1 1 1 7   100 6  o 41.231  1.7942  925.043    80.123   937.748    83.618   782.546    280.042  41.505  1.8601  36.016  7.4257  5.489529       7.655082  
1 1 1 7   100 7  o 63.779  8.0167  2441.35    541.553  0.0000     0.0000   2441.35    541.553  ?       ?       63.779  8.0167  0.000000       8.016682  
1 1 1 7   100 8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   100 9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   101 0  o 80.841  3.2150  3589.93    281.502  3108.37    392.671  4099.09    403.770  74.386  4.9013  85.774  4.3605  -11.38853      6.560248  
1 1 1 7   101 1  o 39.723  5.0545  897.482    212.540  970.248    318.245  838.896    285.559  40.218  7.5840  37.461  7.3003  2.757069       10.52668  
1 1 1 7   101 2  o 24.364  6.8036  353.105    186.419  287.336    306.974  391.531    234.641  23.724  8.8714  25.590  7.7773  -1.866076      11.79780  
1 1 1 7   101 3  o 33.126  5.5081  634.343    190.684  759.519    314.591  561.644    239.745  35.093  8.3903  30.483  7.3476  4.609755       11.15275  
1 1 1 7   101 4  o 19.226  6.8713  191.201    181.039  514.088    303.582  13.002     225.530  28.905  8.8588  16.394  7.0473  12.51037       11.32001  
1 1 1 7   101 5  o 12.766  5.7864  -82.8170   172.714  -158.7554  283.897  -38.1964   217.619  15.827  7.2665  15.249  6.7306  0.5782528      9.904662  
1 1 1 7   101 6  o 19.507  8.8911  -157.2231  414.963  0.0000     0.0000   -157.2231  414.963  ?       ?       19.507  8.8911  0.000000       8.891132  
1 1 1 7   101 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   102 0  o 14.563  6.3143  -8.1567    184.179  165.104    272.132  -154.5989  250.187  20.570  8.1725  14.760  6.7930  5.810275       10.62709  
1 1 1 7   102 1  o 28.606  1.0255  443.833    31.773   450.338    32.082   110.430    229.686  28.815  1.0279  18.417  7.4423  10.39814       7.512948  
1 1 1 7   102 2  o 58.586  3.8568  1905.88    243.364  2140.75    368.767  1724.66    323.916  61.285  5.6180  55.015  5.5101  6.270607       7.869167  
1 1 1 7   102 3  o 57.885  2.4703  1830.43    154.880  1890.59    177.988  1642.79    314.319  58.757  2.7968  53.692  5.4818  5.065266       6.154057  
1 1 1 7   102 4  o 47.817  5.0108  1295.41    255.660  1304.19    489.883  1292.12    299.711  45.069  10.265  47.325  5.9806  -2.255817      11.88027  
1 1 1 7   102 5  o 83.458  7.0444  4067.51    630.816  0.0000     0.0000   4067.51    630.816  ?       ?       83.458  7.0444  0.000000       7.044371  
1 1 1 7   102 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 7   103 0  o 46.636  4.2992  1217.92    214.715  1455.85    323.268  1030.09    287.223  50.257  6.0611  41.962  6.5322  8.295086       8.911064  
1 1 1 7   103 1  o 36.801  5.4678  778.736    211.318  688.937    319.241  848.767    281.924  33.297  8.7410  37.733  7.1603  -4.435387      11.29929  
1 1 1 7   103 2  o 46.453  1.6052  1172.88    80.764   1211.59    84.491   762.936    274.952  47.208  1.6524  35.634  7.3673  11.57406       7.550383  
1 1 1 7   103 3  o 19.365  7.4238  165.939    218.116  399.036    431.823  86.100     252.724  27.411  10.461  18.557  7.6871  8.853626       12.98136  
1 1 1 8   0   0  o 636.373 21.238  221330.91  14601.69 221330.91  14601.69 221330.91  14601.69 636.373 21.238  636.373 21.238  0.000000       0.000000  
1 1 1 8   0   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   0   2  o 485.046 11.517  127817.80  6042.98  127817.80  6042.98  127817.80  6042.98  485.046 11.517  485.046 11.517  0.000000       0.000000  
1 1 1 8   0   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   0   4  o 351.084 8.5684  66913.83   3253.82  66913.83   3253.82  66913.83   3253.82  351.084 8.5684  351.084 8.5684  0.000000       0.000000  
1 1 1 8   0   5  o 184.634 5.1435  18508.11   1026.78  18508.11   1026.78  18508.11   1026.78  184.634 5.1435  184.634 5.1435  0.000000       0.000000  
1 1 1 8   0   6  o 112.358 3.8891  6862.02    472.001  6862.02    472.001  6862.02    472.001  112.358 3.8891  112.358 3.8891  0.000000       0.000000  
1 1 1 8   0   7  o 509.757 12.073  141125.80  6657.25  141125.80  6657.25  141125.80  6657.25  509.757 12.073  509.757 12.073  0.000000       0.000000  
1 1 1 8   0   8  o 636.953 14.934  220496.30  10289.69 220496.30  10289.69 220496.30  10289.69 636.953 14.934  636.953 14.934  0.000000       0.000000  
1 1 1 8   0   9  o 819.217 19.089  365275.31  16917.07 365275.31  16917.07 365275.31  16917.07 819.217 19.089  819.217 19.089  0.000000       0.000000  
1 1 1 8   0   10 o 755.553 17.591  310657.19  14378.06 310657.19  14378.06 310657.19  14378.06 755.553 17.591  755.553 17.591  0.000000       0.000000  
1 1 1 8   0   11 o 48.614  3.7745  1303.09    195.985  1303.09    195.985  1303.09    195.985  48.614  3.7745  48.614  3.7745  0.000000       0.000000  
1 1 1 8   0   12 o 65.196  3.6163  2323.50    253.562  2323.50    253.562  2323.50    253.562  65.196  3.6163  65.196  3.6163  0.000000       0.000000  
1 1 1 8   0   13 o 265.580 9.6268  38416.44   2760.91  38416.44   2760.91  38416.44   2760.91  265.580 9.6268  265.580 9.6268  0.000000       0.000000  
1 1 1 8   0   14 o 267.499 9.6851  38992.00   2797.71  38992.00   2797.71  38992.00   2797.71  267.499 9.6851  267.499 9.6851  0.000000       0.000000  
1 1 1 8   0   15 o 279.405 7.0727  42420.88   2137.26  42420.88   2137.26  42420.88   2137.26  279.405 7.0727  279.405 7.0727  0.000000       0.000000  
1 1 1 8   0   16 o 299.948 7.5035  48908.34   2434.26  48908.34   2434.26  48908.34   2434.26  299.948 7.5035  299.948 7.5035  0.000000       0.000000  
1 1 1 8   0   17 o 133.293 4.4123  9660.76    635.424  9660.76    635.424  9660.76    635.424  133.293 4.4123  133.293 4.4123  0.000000       0.000000  
1 1 1 8   0   18 o 152.656 4.7101  12668.59   777.098  12668.59   777.098  12668.59   777.098  152.656 4.7101  152.656 4.7101  0.000000       0.000000  
1 1 1 8   0   19 o 28.976  8.4506  557.729    230.274  557.729    230.274  557.729    230.274  28.976  8.4506  28.976  8.4506  0.000000       0.000000  
1 1 1 8   0   20 o 152.814 4.7527  12699.87   784.917  12699.87   784.917  12699.87   784.917  152.814 4.7527  152.814 4.7527  0.000000       0.000000  
1 1 1 8   0   21 o 161.551 5.5038  14213.08   960.500  14213.08   960.500  14213.08   960.500  161.551 5.5038  161.551 5.5038  0.000000       0.000000  
1 1 1 8   0   22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   0   23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   0   24 o 38.335  7.9643  898.590    291.668  898.590    291.668  898.590    291.668  38.335  7.9643  38.335  7.9643  0.000000       0.000000  
1 1 1 8   0   25 o 40.247  7.4037  970.893    290.535  970.893    290.535  970.893    290.535  40.247  7.4037  40.247  7.4037  0.000000       0.000000  
1 1 1 8   0   26 o 10.758  7.2810  -118.5335  250.740  -118.5335  250.740  -118.5335  250.740  10.758  7.2810  10.758  7.2810  0.000000       0.000000  
1 1 1 8   0   27 o 29.633  9.9367  626.981    284.670  626.981    284.670  626.981    284.670  29.633  9.9367  29.633  9.9367  0.000000       0.000000  
1 1 1 8   0   28 o 21.660  11.166  395.843    335.497  395.843    335.497  395.843    335.497  21.660  11.166  21.660  11.166  0.000000       0.000000  
1 1 1 8   0   29 o 69.904  5.6585  2747.85    421.968  2747.85    421.968  2747.85    421.968  69.904  5.6585  69.904  5.6585  0.000000       0.000000  
1 1 1 8   0   30 o 15.161  9.6049  80.783     340.332  80.783     340.332  80.783     340.332  15.161  9.6049  15.161  9.6049  0.000000       0.000000  
1 1 1 8   0   31 f 21.553  11.426  416.874    358.592  416.874    358.592  416.874    358.592  21.553  11.426  21.553  11.426  0.000000       0.000000  
1 1 1 8   0   32 o 48.285  8.4029  1472.47    399.580  1472.47    399.580  1472.47    399.580  48.285  8.4029  48.285  8.4029  0.000000       0.000000  
1 1 1 8   0   33 o 29.743  12.101  784.619    382.673  784.619    382.673  784.619    382.673  29.743  12.101  29.743  12.101  0.000000       0.000000  
1 1 1 8   0   34 o 15.842  4.2215  165.485    62.587   165.485    62.587   165.485    62.587   15.842  4.2215  15.842  4.2215  0.000000       0.000000  
1 1 1 8   0   35 o 16.899  11.195  185.976    538.703  185.976    538.703  185.976    538.703  16.899  11.195  16.899  11.195  0.000000       0.000000  
1 1 1 8   1   0  o 352.845 6.0139  67486.51   2298.32  65349.16   3250.17  69624.27   3250.47  347.038 8.6469  358.231 8.3775  -11.19305      12.03952  
1 1 1 8   1   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   1   4  o 578.698 11.069  181752.00  6938.06  180397.20  8497.30  184461.59  12017.21 576.219 13.615  581.764 19.072  -5.545593      23.43283  
1 1 1 8   1   5  o 509.303 8.4634  140633.80  4668.65  144197.80  6602.54  137070.00  6602.41  515.435 11.827  502.506 12.131  12.92984       16.94197  
1 1 1 8   1   6  o 359.226 6.1373  69924.50   2387.88  68885.16   3376.84  70964.01   3377.10  356.438 8.7469  361.783 8.6184  -5.344696      12.27947  
1 1 1 8   1   7  o 159.969 3.3299  13860.88   576.953  13873.75   816.516  13848.05   815.354  160.029 4.7108  159.881 4.7085  0.1482697      6.660442  
1 1 1 8   1   8  o 133.031 2.9890  9585.51    430.682  9431.24    609.221  9739.63    608.931  131.946 4.2629  134.087 4.1929  -2.140533      5.979367  
1 1 1 8   1   9  o 458.936 7.7008  114189.90  3827.90  113206.00  5413.48  115173.70  5413.46  456.696 10.944  460.657 10.850  -3.960754      15.41084  
1 1 1 8   1   10 o 151.460 3.2110  12425.95   526.747  12193.16   744.937  12658.73   744.928  150.018 4.5847  152.856 4.4995  -2.838516      6.423737  
1 1 1 8   1   11 o 482.283 8.0795  126171.60  4220.42  123906.30  5968.52  128437.00  5968.62  477.523 11.540  486.204 11.334  -8.681000      16.17496  
1 1 1 8   1   12 o 178.849 3.5051  17329.42   678.986  18459.72   962.281  16208.69   958.195  184.558 4.8139  172.931 5.1158  11.62663       7.024580  
1 1 1 8   1   13 o 199.566 5.4574  21593.39   1179.61  20731.12   1667.81  22456.51   1668.63  195.417 7.8798  203.406 7.5740  -7.988297      10.92965  
1 1 1 8   1   14 o 124.409 4.2355  8389.31    570.719  8309.86    807.609  8468.56    806.628  123.763 6.0248  124.941 5.9607  -1.178566      8.475139  
1 1 1 8   1   15 o 83.146  2.7812  3745.60    250.463  3861.31    354.116  3629.76    354.300  84.402  3.8737  81.830  3.9975  2.572121       5.566427  
1 1 1 8   1   16 o 193.323 3.7817  20259.72   791.846  20271.99   1119.77  20247.46   1119.91  193.286 5.3488  193.169 5.3527  0.1172638      7.567137  
1 1 1 8   1   17 o 128.939 3.0660  9010.17    428.182  9335.61    605.310  8684.23    605.772  131.202 4.2596  126.535 4.4201  4.666893       6.138504  
1 1 1 8   1   18 o 168.091 3.4891  15317.94   635.223  14887.63   898.094  15748.72   898.589  165.619 5.0066  170.351 4.8702  -4.732498      6.984601  
1 1 1 8   1   19 o 201.936 4.4128  22126.27   965.162  21649.63   1364.84  22603.05   1365.05  199.547 6.3149  203.911 6.1807  -4.363495      8.836244  
1 1 1 8   1   20 o 112.728 3.0793  6889.46    375.973  6923.30    537.802  6857.12    525.814  112.939 4.3965  112.402 4.3190  0.5366058      6.163085  
1 1 1 8   1   21 o 157.637 3.4152  13479.42   583.098  13743.13   828.685  13220.81   820.625  159.043 4.8107  155.986 4.8572  3.056503       6.836317  
1 1 1 8   1   22 o 64.289  5.5143  2267.01    380.255  2202.25    513.107  2345.90    566.350  62.979  7.6814  64.914  8.2409  -1.935394      11.26567  
1 1 1 8   1   23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   1   24 o 17.492  7.5281  -15.6151   257.924  41.490     352.846  -81.1417   377.968  21.299  8.9709  20.310  8.9207  0.9883556      12.65131  
1 1 1 8   1   25 f 55.418  3.7916  1682.70    226.222  2096.49    319.527  1266.84    320.327  61.684  4.8209  47.489  6.3899  14.19485       8.004488  
1 1 1 8   1   26 o 38.625  4.9512  832.919    202.366  478.306    285.754  1189.70    286.626  28.809  8.5442  46.032  5.8835  -17.22305      10.37395  
1 1 1 8   1   27 o 91.918  3.1696  4611.78    315.553  5088.64    446.692  4136.77    445.827  96.240  4.2853  86.499  4.7772  9.740768       6.417556  
1 1 1 8   1   28 o 21.749  8.3053  206.076    272.324  271.315    329.460  65.364     483.852  24.189  9.1594  24.098  10.339  0.9144402E-01  13.81306  
1 1 1 8   1   29 o 44.091  5.5372  1106.86    258.596  1352.46    366.011  862.068    365.410  48.028  7.2629  37.385  9.1082  10.64321       11.64943  
1 1 1 8   1   30 o 48.625  2.7380  1298.68    143.616  1797.46    385.530  1218.31    154.754  55.572  6.5296  47.011  3.0559  8.561954       7.209314  
1 1 1 8   1   31 o 29.573  1.8151  478.294    57.858   487.614    58.620   126.900    359.946  29.860  1.8212  21.430  9.0453  8.430374       9.226816  
1 1 1 8   1   32 o 91.852  3.6588  4736.32    363.992  4522.42    513.010  4953.18    516.534  87.791  5.4217  92.177  5.1949  -4.386093      7.508779  
1 1 1 8   1   33 o 16.042  7.1615  -7.5875    253.511  164.313    358.926  -178.7092  358.112  20.582  8.8691  16.649  7.8171  3.932520       11.82237  
1 1 1 8   1   34 o 8.1214  2.9667  30.796     33.980   -194.7896  356.197  32.868     34.136   16.095  7.6291  8.2647  2.9804  7.830155       8.190635  
1 1 1 8   1   35 o 15.587  7.2645  -82.8148   299.937  -10.8313   528.654  -116.9856  364.236  19.645  9.3067  16.536  7.8010  3.108440       12.14367  
1 1 1 8   2   0  o 550.030 12.724  164522.80  7580.11  0.0000     0.0000   164522.80  7580.11  ?       ?       550.030 12.724  0.000000       12.72385  
1 1 1 8   2   1  o 327.602 5.6431  58166.57   2002.32  59831.61   2831.81  56501.76   2831.61  332.135 7.8719  322.746 8.1003  9.389038       11.29523  
1 1 1 8   2   2  o 293.200 5.1555  46582.93   1637.23  46644.78   2315.45  46521.08   2315.33  293.307 7.2886  292.917 7.2979  0.3896484      10.31419  
1 1 1 8   2   3  o 205.205 3.8849  22811.12   863.461  23409.52   1221.35  22213.19   1220.88  207.850 5.4253  202.466 5.5674  5.383774       7.773645  
1 1 1 8   2   4  o 656.624 15.363  234457.20  10926.13 0.0000     0.0000   234457.20  10926.13 ?       ?       656.624 15.363  0.000000       15.36312  
1 1 1 8   2   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   2   6  o 487.840 8.1716  129016.90  4317.74  126119.60  6106.08  131914.41  6106.33  482.069 11.695  493.043 11.435  -10.97339      16.35589  
1 1 1 8   2   7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   2   8  o 369.568 6.3207  74016.63   2530.05  74567.25   3578.13  73466.06   3577.93  370.814 8.9090  368.062 8.9751  2.751953       12.64609  
1 1 1 8   2   9  o 296.993 5.2134  47791.93   1677.03  47011.21   2371.66  48572.67   2371.71  294.479 7.4358  299.335 7.3153  -4.855560      10.43095  
1 1 1 8   2   10 o 640.701 10.591  222832.09  7349.43  224315.50  10393.74 221348.80  10393.59 642.078 14.946  637.798 15.046  4.280334       21.20717  
1 1 1 8   2   11 o 309.090 5.3958  51776.21   1806.40  53395.29   2554.89  50157.77   2554.38  313.776 7.5177  304.100 7.7553  9.675385       10.80092  
1 1 1 8   2   12 o 204.934 3.8848  22755.02   862.288  24306.68   1221.40  21213.19   1217.52  211.762 5.3253  197.816 5.6826  13.94612       7.787839  
1 1 1 8   2   13 o 219.854 5.7628  26210.52   1372.27  24366.45   1936.86  28069.25   1944.54  211.820 8.4423  227.386 7.8956  -15.56532      11.55906  
1 1 1 8   2   14 f 123.826 3.4537  8308.46    463.197  8931.61    804.137  7999.04    566.646  128.318 5.7859  121.479 4.3067  6.838943       7.212792  
1 1 1 8   2   15 o 171.444 3.6105  15930.20   670.448  15591.70   998.956  16207.65   904.394  169.530 5.4404  172.878 4.8300  -3.348236      7.275068  
1 1 1 8   2   16 o 238.150 4.3931  30755.12   1133.15  30532.04   1602.29  30978.33   1602.75  237.124 6.2387  238.855 6.1953  -1.731171      8.792211  
1 1 1 8   2   17 o 172.370 3.5285  16106.22   658.744  16362.25   931.422  15849.99   931.787  173.652 4.9522  170.906 5.0337  2.745422       7.061330  
1 1 1 8   2   18 o 174.443 3.5644  16498.20   673.450  16601.66   952.344  16394.72   952.462  174.891 5.0275  173.795 5.0599  1.095947       7.132913  
1 1 1 8   2   19 o 181.184 3.6590  17801.51   718.051  17691.05   1015.24  17912.07   1015.72  180.499 5.1931  181.626 5.1633  -1.126816      7.323069  
1 1 1 8   2   20 o 97.678  2.8623  5171.90    302.816  5562.17    464.520  4883.50    399.329  101.238 4.2364  94.876  3.8860  6.361244       5.748705  
1 1 1 8   2   21 o 156.396 5.0973  13294.97   863.446  13914.59   1132.99  12436.55   1333.57  159.809 6.5457  150.607 8.2062  9.202209       10.49706  
1 1 1 8   2   22 o 33.331  8.8660  631.752    325.648  559.347    434.293  724.750    492.194  32.450  10.674  36.243  11.309  -3.793034      15.55015  
1 1 1 8   2   23 o 28.083  6.3351  448.396    188.107  411.970    237.158  510.187    308.880  27.042  7.7171  30.129  8.8694  -3.086700      11.75666  
1 1 1 8   2   24 o 53.331  5.5629  1573.84    316.599  1741.51    437.891  1390.19    458.283  55.688  7.4464  49.262  8.9174  6.426224       11.61760  
1 1 1 8   2   25 f 48.470  5.9151  1312.44    304.093  1727.55    420.004  855.089    440.858  55.354  7.1742  38.088  10.396  17.26545       12.63106  
1 1 1 8   2   26 o 53.278  2.4809  1543.09    143.160  1477.10    159.916  1809.41    321.256  52.018  2.8492  57.088  5.2546  -5.069725      5.977332  
1 1 1 8   2   27 o 57.915  2.4800  1825.25    155.561  1887.20    176.042  1604.50    332.308  58.855  2.7616  53.426  5.8377  5.429268       6.457989  
1 1 1 8   2   28 o 51.467  2.3221  1441.97    129.445  1383.06    362.293  1450.59    138.594  48.956  7.0346  51.602  2.4797  -2.646088      7.458912  
1 1 1 8   2   29 o 58.630  2.6438  1877.38    167.889  2045.89    388.616  1838.71    186.157  59.871  6.0771  57.883  2.9794  1.987312       6.768170  
1 1 1 8   2   30 o 20.181  7.8118  178.579    243.202  216.904    344.548  140.523    343.334  22.934  9.1686  21.630  8.9598  1.304207       12.81955  
1 1 1 8   2   31 o 65.772  4.2063  2428.71    298.078  2555.04    420.476  2301.08    422.624  66.349  5.9130  62.654  6.3139  3.695580       8.650382  
1 1 1 8   2   32 o 46.948  5.6201  1310.11    280.098  1222.46    394.498  1399.21    397.759  42.728  8.8168  46.360  8.2225  -3.631870      12.05596  
1 1 1 8   2   33 o 19.018  7.7764  168.498    254.296  351.763    358.394  -17.3121   360.875  23.494  9.3647  18.345  8.3343  5.149677       12.53629  
1 1 1 8   2   34 o 19.069  2.7871  207.079    55.862   199.489    56.753   443.255    316.577  18.672  2.9003  24.460  9.0361  -5.788137      9.490192  
1 1 1 8   2   35 o 26.186  9.1065  557.565    316.336  806.934    550.934  434.916    386.375  27.679  11.397  23.388  9.5770  4.290234       14.88639  
1 1 1 8   3   0  o 625.484 11.952  212642.91  8097.03  185962.41  14024.19 225983.91  9916.90  582.337 22.235  644.324 14.210  -61.98712      26.38782  
1 1 1 8   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   3   2  f 477.385 9.2070  123650.20  4760.54  121091.50  8245.90  124929.40  5830.31  471.502 16.147  479.630 11.223  -8.127563      19.66407  
1 1 1 8   3   3  o 382.391 6.4650  79252.29   2677.59  76737.01   3786.50  81768.07   3786.88  376.109 9.2951  388.263 9.0050  -12.15378      12.94177  
1 1 1 8   3   4  o 572.807 13.387  178239.30  8305.24  172841.91  11744.45 183638.50  11746.30 563.135 19.255  580.566 18.680  -17.43079      26.82745  
1 1 1 8   3   5  o 486.164 8.1786  128134.40  4306.59  124585.80  6090.35  131683.30  6090.53  479.116 11.736  492.603 11.415  -13.48718      16.37224  
1 1 1 8   3   6  o 284.629 5.0039  43890.37   1542.62  42705.59   2181.51  45075.35   2181.69  280.704 7.1753  288.393 6.9845  -7.689117      10.01342  
1 1 1 8   3   7  o 73.534  2.4316  2928.60    193.663  2822.20    275.686  3032.25    272.110  72.182  3.5263  74.821  3.3578  -2.638725      4.869204  
1 1 1 8   3   8  o 366.003 6.2678  72594.74   2484.68  74360.18   3514.03  70829.63   3513.71  370.307 8.7614  361.397 8.9766  8.909760       12.54355  
1 1 1 8   3   9  o 619.373 10.224  208161.59  6858.98  208628.41  9700.15  207694.80  9699.97  619.459 14.458  618.066 14.490  1.393127       20.46898  
1 1 1 8   3   10 o 705.292 11.609  270157.00  8867.84  258209.80  12540.83 282104.91  12541.21 688.444 16.819  719.776 16.087  -31.33252      23.27338  
1 1 1 8   3   11 o 505.309 8.4252  138529.20  4611.13  141382.00  6521.34  135676.80  6520.89  510.040 11.805  499.606 12.051  10.43430       16.86929  
1 1 1 8   3   12 o 447.086 7.4091  108438.10  3587.79  119024.30  5075.02  97861.14   5072.78  468.063 10.011  424.270 11.039  43.79324       14.90220  
1 1 1 8   3   13 o 172.024 3.9372  16035.62   733.574  14858.93   894.002  18460.69   1283.43  165.562 4.9855  184.480 6.4232  -18.91837      8.130960  
1 1 1 8   3   14 o 456.019 10.897  113279.80  5382.02  113423.30  7611.10  113136.20  7611.55  454.968 15.445  454.385 15.466  0.5833130      21.85763  
1 1 1 8   3   15 o 70.891  2.4337  2722.51    186.866  2785.11    305.767  2685.19    236.084  71.571  3.9598  70.395  3.0964  1.175659       5.026688  
1 1 1 8   3   16 o 150.194 3.3313  12225.80   541.923  12918.34   739.531  11422.61   796.416  154.344 4.4238  145.103 5.0675  9.240677       6.726777  
1 1 1 8   3   17 o 139.768 3.1670  10587.69   479.435  10225.88   677.270  10951.13   678.780  137.301 4.5543  142.093 4.4105  -4.792786      6.339850  
1 1 1 8   3   18 o 191.250 3.7734  19833.25   781.630  20067.54   1105.07  19598.70   1105.72  192.257 5.3068  189.992 5.3733  2.265167       7.552113  
1 1 1 8   3   19 o 289.263 5.0820  45430.09   1592.21  45670.74   2252.88  45189.94   2250.57  289.657 7.1810  288.122 7.2119  1.535065       10.17731  
1 1 1 8   3   20 o 62.743  4.5547  2148.37    307.417  2038.69    435.882  2256.92    433.633  60.827  6.7288  64.097  6.3288  -3.269596      9.237435  
1 1 1 8   3   21 o 25.626  7.8509  359.126    238.459  639.719    340.348  88.580     334.200  33.619  9.1169  21.723  8.9024  11.89596       12.74249  
1 1 1 8   3   22 o 196.654 4.4392  21019.55   945.531  18618.97   1630.91  22234.95   1160.46  184.289 8.1707  202.104 5.3013  -17.81488      9.739841  
1 1 1 8   3   23 o 113.518 3.1112  6996.04    382.529  7075.13    550.907  6922.41    531.566  114.007 4.4614  112.784 4.3515  1.223106       6.232169  
1 1 1 8   3   24 f 82.067  4.5519  3685.86    403.018  3782.16    560.943  3583.11    579.413  82.744  6.3066  80.418  6.7135  2.325043       9.211150  
1 1 1 8   3   25 o 38.542  7.0528  848.334    283.570  508.704    387.749  1238.83    415.772  30.430  10.089  46.314  8.6052  -15.88420      13.26040  
1 1 1 8   3   26 o 97.412  2.9259  5166.14    308.701  5021.51    410.556  5354.27    468.250  95.830  3.9555  98.849  4.3736  -3.018646      5.896952  
1 1 1 8   3   27 o 121.685 3.2212  8084.72    424.551  8550.08    603.632  7629.17    597.231  124.669 4.4704  117.673 4.6859  6.995598       6.476272  
1 1 1 8   3   28 o 5.5587  2.5024  -16.0423   31.662   -15.2584   31.807   -101.1006  331.313  5.6050  2.5170  18.259  8.1667  -12.65449      8.545781  
1 1 1 8   3   29 o 32.928  1.0383  587.946    37.029   576.238    45.421   611.147    63.940   32.587  1.2869  33.483  1.7694  -0.8963890     2.187863  
1 1 1 8   3   30 o 49.395  5.0574  1384.01    266.753  1456.83    376.893  1310.91    377.599  49.580  7.2314  46.708  7.7346  2.871490       10.58853  
1 1 1 8   3   31 o 16.894  7.3122  14.983     246.160  -17.4184   344.511  48.780     351.849  19.077  8.4419  20.132  8.7281  -1.054863      12.14271  
1 1 1 8   3   32 o 21.648  8.0847  271.471    254.784  270.731    360.496  272.209    360.141  22.853  9.2919  22.872  9.2922  -0.1961708E-01 13.14091  
1 1 1 8   3   33 o 15.962  7.1346  -10.9932   252.411  181.936    352.648  -213.6631  361.440  20.743  8.8615  16.409  7.7500  4.334032       11.77236  
1 1 1 8   3   34 o 27.405  1.4276  411.252    42.229   421.385    364.859  411.114    42.514   23.977  9.4829  27.398  1.4377  -3.420752      9.591287  
1 1 1 8   3   35 f 19.949  8.3839  237.273    307.084  88.946     534.782  310.241    375.087  20.429  9.5794  21.504  9.1617  -1.074596      13.25521  
1 1 1 8   4   0  o 256.145 4.5986  35550.09   1275.81  36030.66   1804.29  35069.54   1804.24  257.804 6.4617  254.339 6.5496  3.465378       9.200564  
1 1 1 8   4   1  o 507.695 9.5985  139893.91  5278.10  144987.09  6464.27  129707.00  9142.11  516.601 11.553  487.659 17.309  28.94113       20.81000  
1 1 1 8   4   2  o 594.940 14.084  192512.41  9075.24  211577.41  12833.91 173445.00  12834.74 622.598 19.032  563.218 21.040  59.37976       28.37043  
1 1 1 8   4   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   4   4  o 441.861 7.4650  105833.90  3572.60  103639.80  5052.24  108028.40  5052.61  437.039 10.673  446.214 10.454  -9.174774      14.94031  
1 1 1 8   4   5  o 168.315 3.4329  15345.05   625.830  15668.73   884.667  15020.79   885.448  170.066 4.8028  166.511 4.9096  3.554779       6.868121  
1 1 1 8   4   6  o 378.103 6.4596  77471.90   2645.36  78248.09   3741.22  76695.81   3741.00  379.872 9.0930  376.080 9.1841  3.791687       12.92402  
1 1 1 8   4   7  f 156.796 3.2640  13316.38   554.314  13537.69   784.313  13095.51   783.526  158.080 4.5808  155.476 4.6528  2.603958       6.529369  
1 1 1 8   4   8  o 340.406 5.8976  62791.06   2174.41  62411.61   3075.34  63170.38   3074.81  339.273 8.3690  341.331 8.3171  -2.058655      11.79892  
1 1 1 8   4   9  o 284.204 5.0410  43763.23   1551.73  42714.32   2194.29  44812.51   2194.67  280.707 7.2173  287.525 7.0473  -6.818268      10.08729  
1 1 1 8   4   10 o 334.761 5.7857  60732.34   2097.79  61073.05   2967.09  60391.79   2966.36  335.580 8.1633  333.701 8.2072  1.879486       11.57573  
1 1 1 8   4   11 o 154.725 3.2582  12968.30   546.029  13205.09   772.691  12732.10   771.713  156.111 4.5698  153.288 4.6481  2.822723       6.518317  
1 1 1 8   4   12 o 274.157 5.4406  40742.97   1615.54  37035.73   2795.90  42601.18   1979.44  261.102 9.8865  280.282 6.5205  -19.17969      11.84308  
1 1 1 8   4   13 o 430.080 8.3441  100447.90  3886.88  99882.86   4760.29  101578.00  6732.69  428.567 10.255  431.313 14.412  -2.746033      17.68834  
1 1 1 8   4   14 o 227.944 4.9041  28171.82   1210.75  28067.85   1482.60  28379.98   2097.82  227.454 6.0181  228.513 8.4759  -1.058945      10.39514  
1 1 1 8   4   15 o 41.735  4.0162  952.913    179.307  903.797    313.651  976.758    218.539  40.143  7.4893  42.159  4.8759  -2.015923      8.936662  
1 1 1 8   4   16 o 313.804 5.4930  53439.91   1866.97  52678.39   2640.04  54201.71   2640.54  311.224 7.8319  315.711 7.7221  -4.486481      10.99858  
1 1 1 8   4   17 o 240.857 4.4366  31465.78   1157.40  32354.73   1636.74  30576.69   1636.87  244.054 6.1919  237.232 6.3705  6.821854       8.883841  
1 1 1 8   4   18 o 171.775 3.5308  15997.17   656.909  16551.07   931.471  15449.08   926.569  174.632 4.9247  168.707 5.0708  5.924728       7.068593  
1 1 1 8   4   19 o 203.911 3.9467  22552.78   871.657  22554.79   1234.61  22550.77   1230.81  203.760 5.5942  203.744 5.5775  0.1626587E-01  7.899596  
1 1 1 8   4   20 o 87.557  4.1932  4160.31    397.654  4449.92    563.644  3873.31    561.100  90.284  5.7946  84.154  6.1996  6.130196       8.486055  
1 1 1 8   4   21 o 128.666 4.4397  8990.64    618.714  9114.14    875.186  8867.25    874.800  129.369 6.2460  127.595 6.3300  1.773811       8.892741  
1 1 1 8   4   22 o 83.691  2.7855  3798.57    252.491  4241.45    400.444  3506.29    325.306  88.355  4.1844  80.360  3.7375  7.995049       5.610559  
1 1 1 8   4   23 o 132.544 3.2981  9540.82    473.472  9417.75    668.610  9664.60    670.574  131.496 4.6945  133.216 4.6475  -1.719727      6.605886  
1 1 1 8   4   24 o 59.354  3.7617  1925.29    240.574  1677.64    328.625  2211.27    353.144  55.072  5.5867  63.383  5.1896  -8.311321      7.625157  
1 1 1 8   4   25 f 26.039  8.3226  374.241    265.139  520.737    361.272  203.221    390.341  30.459  9.7128  24.655  9.7903  5.803885       13.79086  
1 1 1 8   4   26 o 71.595  4.7604  2826.85    367.045  3361.52    507.965  2242.67    530.958  77.675  6.0865  62.672  8.0048  15.00311       10.05599  
1 1 1 8   4   27 o 42.396  4.8124  1003.19    217.062  1142.79    310.670  870.048    303.405  44.739  6.6103  38.636  7.5210  6.103279       10.01307  
1 1 1 8   4   28 o 49.338  2.5083  1329.68    133.596  1477.76    329.146  1300.47    146.179  51.011  6.0769  48.744  2.7803  2.267582       6.682770  
1 1 1 8   4   29 o 23.359  7.9487  303.837    240.585  220.729    336.103  391.167    344.532  23.103  9.1128  26.577  9.4811  -3.474001      13.15047  
1 1 1 8   4   30 o 18.469  1.3003  186.094    25.844   252.938    36.323   117.554    36.781   21.515  1.5695  14.478  2.4318  7.037714       2.894288  
1 1 1 8   4   31 o 68.888  4.0888  2658.75    303.713  2746.73    426.410  2568.15    432.690  68.909  5.7662  66.380  6.0860  2.529106       8.383843  
1 1 1 8   4   32 o 34.156  7.3142  744.044    262.428  983.321    370.333  502.697    371.932  37.877  9.1333  27.131  9.8297  10.74615       13.41789  
1 1 1 8   4   33 o 25.962  2.2462  373.991    62.538   371.476    63.421   462.439    376.138  25.862  2.2877  25.513  9.7566  0.3485336      10.02124  
1 1 1 8   4   34 f 23.898  1.5595  313.712    40.145   127.548    363.300  316.014    40.393   19.581  8.6667  23.985  1.5634  -4.404037      8.806556  
1 1 1 8   4   35 o 26.391  9.6919  597.736    363.339  491.560    501.400  715.143    527.253  24.055  10.424  26.686  11.083  -2.630686      15.21462  
1 1 1 8   5   0  o 525.394 17.614  150620.41  10023.37 0.0000     0.0000   150620.41  10023.37 ?       ?       525.394 17.614  0.000000       17.61404  
1 1 1 8   5   1  o 366.982 6.3000  73001.31   2504.13  73889.80   3541.43  72112.88   3541.32  369.042 8.8600  364.569 8.9684  4.472626       12.60679  
1 1 1 8   5   2  o 387.856 6.5818  81541.84   2764.95  82441.23   3910.25  80642.47   3910.20  389.813 9.2614  385.529 9.3642  4.283905       13.17053  
1 1 1 8   5   3  o 476.435 9.1813  123123.80  4737.83  123129.20  5802.44  123113.10  8206.72  476.255 11.249  475.652 15.930  0.6034241      19.50104  
1 1 1 8   5   4  o 306.042 5.2924  50746.70   1754.31  48667.39   2480.70  52826.92   2481.24  299.630 7.6440  312.184 7.3382  -12.55402      10.59618  
1 1 1 8   5   5  f 559.429 9.3648  169717.09  5674.34  169149.70  8024.72  170284.50  8024.75  558.107 13.275  559.982 13.231  -1.874207      18.74265  
1 1 1 8   5   6  o 552.891 9.1569  165763.41  5483.50  167009.80  7754.88  164516.91  7754.81  554.608 12.910  550.442 13.007  4.165710       18.32631  
1 1 1 8   5   7  f 649.259 10.708  228711.91  7530.31  238046.50  10649.73 219378.09  10649.22 661.804 14.857  635.226 15.478  26.57758       21.45488  
1 1 1 8   5   8  o 118.237 2.8568  7571.93    365.855  7613.69    518.074  7530.39    516.723  118.554 4.0346  117.904 4.0463  0.6504898      5.714118  
1 1 1 8   5   9  o 295.117 5.2098  47190.26   1665.28  45958.26   2355.11  48422.17   2355.02  291.160 7.4681  298.871 7.2751  -7.710999      10.42593  
1 1 1 8   5   10 o 160.766 3.3300  14000.18   579.850  14323.96   821.384  13678.52   818.686  162.596 4.6641  158.889 4.7572  3.707016       6.662188  
1 1 1 8   5   11 o 505.940 8.9971  138915.91  4930.26  147204.09  6449.53  127263.00  7647.38  520.477 11.441  483.425 14.605  37.05212       18.55290  
1 1 1 8   5   12 o 554.961 10.595  167394.30  6368.48  163232.50  11030.04 169475.50  7799.95  545.949 18.653  557.912 12.908  -11.96332      22.68389  
1 1 1 8   5   13 o 514.422 9.7170  143853.80  5414.05  154183.30  6631.73  123211.60  9374.87  532.167 11.506  473.823 18.267  58.34354       21.58888  
1 1 1 8   5   14 o 176.355 4.1151  16857.24   786.028  17022.42   962.402  16526.31   1362.24  177.181 5.0150  174.463 7.2091  2.718185       8.781868  
1 1 1 8   5   15 o 227.071 4.8806  27962.81   1200.35  28847.83   2079.86  27520.81   1469.85  230.323 8.3373  225.185 6.0265  5.137634       10.28733  
1 1 1 8   5   16 o 324.215 5.6449  57051.98   1982.25  58169.77   2803.36  55934.23   2803.30  327.026 7.9146  320.652 8.0717  6.373505       11.30455  
1 1 1 8   5   17 o 256.036 4.6094  35561.68   1278.25  32622.03   1805.44  38516.21   1810.00  244.981 6.8043  266.267 6.2761  -21.28664      9.256771  
1 1 1 8   5   18 o 125.414 3.1098  8525.23    422.424  8396.19    600.757  8651.43    594.096  124.404 4.4585  126.287 4.3434  -1.882462      6.224442  
1 1 1 8   5   19 o 113.180 4.1283  6948.97    506.072  6568.16    703.486  7357.41    728.561  109.776 5.9388  116.363 5.7807  -6.587189      8.287685  
1 1 1 8   5   20 o 165.098 4.9243  14804.04   880.555  14403.04   1244.65  15205.87   1245.94  162.598 7.0674  167.094 6.8844  -4.495499      9.866273  
1 1 1 8   5   21 o 167.031 3.8941  15141.93   704.488  15562.60   999.967  14727.39   992.666  169.158 5.4579  164.542 5.5700  4.616318       7.798289  
1 1 1 8   5   22 o 229.348 4.2918  28583.91   1066.12  28391.71   1506.71  28776.63   1508.75  228.178 6.0966  229.728 6.0636  -1.550064      8.598575  
1 1 1 8   5   23 o 106.037 3.0455  6103.91    349.778  5996.29    492.191  6213.71    497.169  104.968 4.3292  106.858 4.2956  -1.890076      6.098689  
1 1 1 8   5   24 o 89.021  2.8305  4304.33    272.916  4027.02    425.357  4498.38    355.812  85.780  4.5949  90.921  3.6131  -5.141769      5.845360  
1 1 1 8   5   25 o 26.405  8.2861  388.678    263.835  397.257    359.148  378.620    388.859  27.742  9.7000  27.793  10.054  -0.5129051E-01 13.97021  
1 1 1 8   5   26 o 21.535  8.1316  198.407    259.207  175.471    350.703  226.022    384.814  23.175  9.2553  24.777  9.7580  -1.602791      13.44916  
1 1 1 8   5   27 o 111.450 3.1859  6780.90    384.572  6583.09    545.740  6976.02    542.012  109.335 4.6085  112.617 4.4436  -3.281372      6.401838  
1 1 1 8   5   28 o 104.356 3.2998  5960.18    372.970  5430.85    509.549  6571.07    547.400  99.059  4.7492  109.018 4.6359  -9.959068      6.636794  
1 1 1 8   5   29 o 71.868  3.9104  2857.25    303.243  2927.36    422.500  2782.76    435.497  72.042  5.4551  70.054  5.7916  1.987930       7.956153  
1 1 1 8   5   30 o 65.900  4.1297  2420.35    293.275  2451.58    412.576  2388.45    416.965  65.390  5.8886  64.442  6.0446  0.9478683      8.438729  
1 1 1 8   5   31 o 37.609  1.8389  770.858    74.908   892.645    367.869  765.589    76.512   37.106  9.1991  37.426  1.8936  -0.3199196     9.391934  
1 1 1 8   5   32 o 46.083  5.6006  1263.33    273.797  1195.69    382.244  1334.61    392.368  42.377  8.6213  45.103  8.3391  -2.725506      11.99450  
1 1 1 8   5   33 o 23.539  8.2169  371.401    257.669  284.388    362.004  460.756    366.843  22.398  9.2322  25.475  9.6606  -3.076591      13.36266  
1 1 1 8   5   34 o 14.468  6.7054  -98.1017   250.035  -313.3268  342.758  146.693    365.546  14.814  7.1443  19.839  8.7416  -5.025396      11.28965  
1 1 1 8   5   35 o 19.522  8.4529  196.108    329.206  39.863     429.786  417.922    512.088  18.928  8.7789  23.241  10.288  -4.313349      13.52450  
1 1 1 8   6   0  o 206.307 3.9233  23058.26   876.675  22489.92   1239.78  23626.65   1239.83  203.710 5.6191  208.798 5.4823  -5.088425      7.850463  
1 1 1 8   6   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   6   2  o 560.581 13.207  170797.50  8019.05  171503.80  11339.28 170090.80  11342.03 560.734 18.671  558.401 18.753  2.332397       26.46267  
1 1 1 8   6   3  o 272.636 4.8641  40271.39   1436.34  41073.57   2031.24  39469.12   2031.36  275.280 6.8127  269.845 6.9503  5.434906       9.732345  
1 1 1 8   6   4  o 245.010 4.4675  32520.12   1185.56  32921.23   1676.32  32118.71   1676.94  246.477 6.2793  243.452 6.3597  3.024765       8.937293  
1 1 1 8   6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   6   6  f 113.106 2.7640  6928.85    338.605  6826.42    478.864  7031.27    478.855  112.260 3.9384  113.932 3.8805  -1.672348      5.528940  
1 1 1 8   6   7  o 161.974 3.3317  14210.58   584.503  14396.99   827.388  14024.87   825.838  163.019 4.6860  160.898 4.7389  2.121170       6.664494  
1 1 1 8   6   8  o 251.887 4.5763  34372.50   1248.51  33818.71   1765.99  34925.89   1765.34  249.803 6.5271  253.862 6.4204  -4.059250      9.155577  
1 1 1 8   6   9  o 512.831 8.5622  142625.91  4755.87  143307.80  6726.11  141944.00  6725.51  513.699 12.089  511.242 12.146  2.456818       17.13659  
1 1 1 8   6   10 f 141.428 3.0704  10834.32   470.324  10982.72   665.452  10686.20   664.825  142.380 4.3152  140.444 4.3705  1.935867       6.141862  
1 1 1 8   6   11 o 298.746 5.2115  48367.79   1686.32  51050.52   2385.84  45689.69   2383.78  306.821 7.1794  290.242 7.5829  16.57913       10.44241  
1 1 1 8   6   12 o 72.022  2.8768  2809.89    224.416  2850.82    378.179  2787.65    278.812  72.364  4.8532  71.640  3.6047  0.7237473      6.045448  
1 1 1 8   6   13 o 395.971 7.6303  85112.23   3272.46  90351.13   4008.88  74649.45   5665.35  407.777 9.0768  369.776 14.146  38.00116       16.80722  
1 1 1 8   6   14 o 137.761 3.6037  10284.33   537.712  10246.64   657.992  10360.09   932.958  137.485 4.4187  138.177 6.2339  -0.6914215     7.641067  
1 1 1 8   6   15 o 206.361 4.9894  23096.29   1115.18  24469.42   1781.72  22211.91   1429.89  212.183 7.7528  202.264 6.5270  9.918839       10.13449  
1 1 1 8   6   16 o 217.793 4.1049  25718.29   968.310  25043.08   1369.09  26394.11   1369.71  214.781 5.8852  220.512 5.7349  -5.730942      8.217358  
1 1 1 8   6   17 o 245.126 4.4989  32593.02   1194.43  30863.26   1689.92  34319.77   1688.44  238.316 6.5470  251.351 6.2021  -13.03523      9.018237  
1 1 1 8   6   18 o 253.301 6.5342  34879.81   1792.66  33301.36   2534.17  36460.86   2536.24  246.984 9.4732  258.523 9.0578  -11.53961      13.10667  
1 1 1 8   6   19 o 204.660 5.6027  22755.16   1241.95  22997.34   1755.83  22512.66   1756.93  205.427 7.8914  203.236 7.9815  2.190842       11.22400  
1 1 1 8   6   20 o 44.040  2.1458  1050.95    102.356  1061.28    106.554  927.483    368.275  44.199  2.2331  40.443  8.6679  3.755680       8.950905  
1 1 1 8   6   21 o 158.881 3.6608  13697.02   629.969  14279.28   894.200  13123.26   887.659  162.076 5.0938  155.356 5.2753  6.720200       7.333229  
1 1 1 8   6   22 o 123.476 3.1422  8272.08    420.232  7800.56    591.665  8752.08    596.967  119.783 4.5605  126.901 4.3432  -7.118416      6.297762  
1 1 1 8   6   23 o 65.976  3.2892  2364.01    235.045  2205.52    328.509  2530.25    336.440  63.443  4.8167  68.012  4.5942  -4.568439      6.656336  
1 1 1 8   6   24 o 61.824  3.3620  2084.72    224.281  2070.68    314.378  2099.27    320.060  61.397  4.7649  61.812  4.8187  -0.4154396     6.776744  
1 1 1 8   6   25 o 60.964  3.6858  2033.72    242.232  1897.87    330.373  2191.66    356.219  58.566  5.2645  62.966  5.2718  -4.400410      7.450273  
1 1 1 8   6   26 o 38.449  7.0565  849.148    283.034  1124.02    384.404  523.698    418.279  43.952  8.3808  30.830  10.481  13.12260       13.41965  
1 1 1 8   6   27 f 39.073  1.5112  828.308    63.954   177.150    373.668  847.957    64.912   23.534  9.4987  39.534  1.5159  -16.00000      9.618870  
1 1 1 8   6   28 o 17.528  7.1541  78.529     214.729  -17.5227   276.517  224.439    340.809  17.745  7.7152  23.490  9.2043  -5.745262      12.01013  
1 1 1 8   6   29 o 60.590  4.3389  2043.53    282.859  2189.46    391.623  1884.38    408.989  62.033  5.8998  57.092  6.7442  4.940197       8.960631  
1 1 1 8   6   30 o 37.323  6.6442  823.365    258.748  591.067    358.193  1076.86    374.181  30.691  9.6587  41.783  8.5562  -11.09194      12.90342  
1 1 1 8   6   31 o 118.095 3.3565  7713.31    429.326  7862.62    628.027  7582.32    588.241  117.831 4.9209  115.950 4.6840  1.880959       6.793746  
1 1 1 8   6   32 f 23.509  8.1905  350.134    255.954  531.774    358.776  161.873    365.257  27.691  9.6942  21.202  9.0371  6.489460       13.25318  
1 1 1 8   6   33 o 17.885  7.5686  108.720    253.073  211.212    355.749  3.7121     360.089  21.204  8.9734  18.559  8.3890  2.644320       12.28400  
1 1 1 8   6   34 o 16.134  7.1207  36.761     243.531  -170.8553  325.328  301.384    367.286  15.600  7.3633  21.995  9.2018  -6.394870      11.78524  
1 1 1 8   6   35 o 33.926  2.4949  645.562    91.032   1101.75    459.519  626.928    92.872   34.280  10.957  33.386  2.5886  0.8938904      11.25823  
1 1 1 8   7   0  o 511.936 11.832  142383.80  6560.49  121025.00  9276.80  163753.00  9279.06  470.957 18.186  548.360 15.623  -77.40323      23.97557  
1 1 1 8   7   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   7   2  o 370.992 7.4002  74618.41   2973.57  77666.18   5149.32  73093.60   3642.23  378.102 12.574  367.075 9.1610  11.02722       15.55722  
1 1 1 8   7   3  o 285.968 4.9802  44306.82   1542.55  44995.04   2181.62  43618.76   2181.36  288.118 6.9910  283.673 7.0997  4.444519       9.963914  
1 1 1 8   7   4  o 497.270 11.730  134215.91  6317.79  122710.00  8934.46  145723.09  8934.96  474.841 17.372  517.657 15.936  -42.81589      23.57423  
1 1 1 8   7   5  o 286.134 5.0302  44355.70   1558.92  43623.23   2204.72  45088.08   2204.59  283.704 7.1749  288.431 7.0569  -4.727722      10.06377  
1 1 1 8   7   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   7   7  o 400.548 6.7439  86951.07   2925.74  87606.91   4137.98  86295.45   4137.27  401.908 9.5059  398.884 9.5763  3.023987       13.49323  
1 1 1 8   7   8  o 341.616 5.8570  63237.92   2167.11  63668.27   3065.05  62807.73   3064.45  342.674 8.2582  340.348 8.3130  2.326385       11.71770  
1 1 1 8   7   9  o 642.966 10.629  224368.20  7402.35  224051.41  10468.75 224684.91  10468.26 641.810 15.060  642.721 15.038  -0.9109497     21.28212  
1 1 1 8   7   10 o 188.451 3.8516  19238.82   786.167  20018.92   1052.24  18253.17   1182.79  192.211 5.0544  183.519 5.9505  8.692322       7.807397  
1 1 1 8   7   11 o 382.154 6.4482  79177.06   2668.98  83455.02   3775.37  74903.01   3773.65  392.146 8.8888  371.466 9.3793  20.67987       12.92215  
1 1 1 8   7   12 o 386.944 9.2805  81315.08   3889.48  85073.61   5502.04  77560.63   5499.06  395.271 12.852  377.315 13.456  17.95551       18.60720  
1 1 1 8   7   13 o 202.024 3.8078  22115.82   833.188  22855.54   1178.54  21376.69   1178.07  205.317 5.2997  198.556 5.4780  6.761398       7.621980  
1 1 1 8   7   14 o 279.860 5.6441  42484.39   1710.83  40485.31   2094.50  46491.97   2965.56  273.069 7.0817  292.346 9.3657  -19.27689      11.74166  
1 1 1 8   7   15 o 196.498 4.4112  20934.69   938.824  23073.93   1626.30  19865.47   1149.75  206.085 7.2859  191.349 5.5476  14.73584       9.157524  
1 1 1 8   7   16 o 166.904 3.4987  15098.94   632.476  15404.48   896.280  14795.88   892.643  168.513 4.9107  165.146 4.9904  3.366898       7.001360  
1 1 1 8   7   17 o 356.128 6.1402  68892.70   2368.41  68716.44   3349.92  69068.85   3348.94  355.126 8.7093  356.042 8.6843  -0.9156799     12.29916  
1 1 1 8   7   18 o 176.041 5.0814  16822.07   968.873  17227.58   1370.28  16416.66   1370.11  177.953 7.1094  173.695 7.2828  4.258148       10.17758  
1 1 1 8   7   19 o 202.909 5.5728  22366.99   1224.74  22557.32   1731.66  22176.50   1732.42  203.455 7.8582  201.718 7.9294  1.736145       11.16361  
1 1 1 8   7   20 o 17.748  1.6004  172.018    30.433   159.290    238.242  172.229    30.684   20.450  7.7781  17.757  1.6130  2.692757       7.943540  
1 1 1 8   7   21 o 159.786 3.4354  13850.41   594.550  13406.74   838.952  14298.06   842.701  157.062 4.9317  162.215 4.7964  -5.152542      6.879435  
1 1 1 8   7   22 o 80.136  3.1345  3484.25    272.066  2968.38    380.583  4023.40    389.076  73.721  4.7924  86.052  4.1745  -12.33058      6.355595  
1 1 1 8   7   23 o 76.926  3.1303  3213.09    260.810  3427.94    365.364  2989.86    372.418  79.254  4.2721  73.942  4.6742  5.311378       6.332386  
1 1 1 8   7   24 o 69.435  3.1794  2620.87    239.109  2457.80    334.837  2790.56    341.566  66.940  4.6470  71.385  4.4397  -4.445221      6.426956  
1 1 1 8   7   25 o 59.112  3.7615  1913.37    239.572  1955.63    326.654  1864.18    352.422  59.488  5.1196  57.934  5.6899  1.554813       7.654074  
1 1 1 8   7   26 o 25.482  6.9182  374.261    195.849  307.718    267.307  451.380    287.768  24.263  8.3748  28.111  8.6265  -3.848118      12.02308  
1 1 1 8   7   27 o 80.370  4.5863  3567.85    397.582  3360.25    549.315  3796.25    576.179  77.169  6.6367  82.103  6.5334  -4.933853      9.312951  
1 1 1 8   7   28 o 30.344  7.7907  547.682    257.360  341.897    375.812  729.415    353.166  26.272  9.8175  34.649  9.2408  -8.376886      13.48240  
1 1 1 8   7   29 o 69.298  3.9691  2659.11    296.671  2415.43    411.158  2923.76    428.491  65.180  5.8875  71.944  5.5416  -6.763161      8.085330  
1 1 1 8   7   30 o 46.653  5.3912  1243.93    267.401  1298.46    368.873  1183.54    388.189  46.559  7.5753  43.900  8.4711  2.659027       11.36416  
1 1 1 8   7   31 o ?       ?       -367.1509  36.941   293.425    349.799  -374.6011  37.148   23.977  9.3442  ?       ?       0.000000       9.344227  
1 1 1 8   7   32 o 41.676  6.1605  1055.77    269.703  1109.62    380.097  1001.16    382.752  40.459  8.9143  37.935  9.3706  2.524117       12.93339  
1 1 1 8   7   33 o 47.570  1.8124  1239.49    93.383   475.051    360.736  1294.40    96.679   25.731  9.6179  48.605  1.8364  -22.87424      9.791651  
1 1 1 8   7   34 o 25.043  8.0678  449.683    248.773  318.671    333.113  614.896    374.076  22.057  8.9453  27.500  9.8720  -5.442730      13.32197  
1 1 1 8   7   35 o 16.095  7.5101  -77.2739   322.042  14.858     418.047  -211.7539  505.065  18.551  8.6227  18.006  8.6809  0.5446510      12.23555  
1 1 1 8   8   0  o 455.805 10.827  112801.50  5345.18  108304.20  7558.84  117299.70  7559.62  446.004 15.648  464.252 15.034  -18.24808      21.69951  
1 1 1 8   8   1  o 173.261 3.5137  16261.29   659.381  16348.47   932.599  16174.15   932.412  173.703 4.9570  172.774 4.9826  0.9290466      7.028405  
1 1 1 8   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   8   3  o 336.367 5.7983  61308.82   2112.45  60205.26   2987.31  62412.61   2987.61  333.224 8.2770  339.284 8.1300  -6.060822      11.60196  
1 1 1 8   8   4  f 390.596 6.7080  82682.13   2837.85  83866.09   4013.32  81498.15   4013.34  393.244 9.4226  387.645 9.5588  5.599396       13.42222  
1 1 1 8   8   5  o 478.086 7.9315  123901.20  4107.08  119791.90  5808.06  128011.10  5808.52  469.846 11.413  485.729 11.041  -15.88260      15.87952  
1 1 1 8   8   6  o 430.395 7.2881  100401.00  3397.44  96745.78   4804.68  104056.40  4804.73  422.298 10.504  437.990 10.128  -15.69162      14.59198  
1 1 1 8   8   7  o 642.118 12.332  223852.50  8576.51  212148.91  14856.19 229702.80  10503.61 623.399 22.002  650.076 14.918  -26.67706      26.58285  
1 1 1 8   8   8  o 164.399 3.3783  14639.49   601.545  14573.05   851.391  14705.71   850.036  164.009 4.7928  164.754 4.7636  -0.7452240     6.757413  
1 1 1 8   8   9  o 372.006 6.3981  75004.23   2577.95  75752.19   3646.04  74256.48   3645.49  373.711 9.0077  369.997 9.0968  3.713623       12.80198  
1 1 1 8   8   10 o 293.396 5.2018  46645.35   1653.01  47367.57   2338.50  45924.09   2336.93  295.573 7.3047  291.029 7.4138  4.543640       10.40782  
1 1 1 8   8   11 o 159.224 3.6389  13734.51   627.552  13056.10   1081.96  14078.45   770.375  155.182 6.4372  161.192 4.4125  -6.009262      7.804394  
1 1 1 8   8   12 o 397.810 7.7574  85874.91   3342.41  87725.96   4094.03  82175.14   5788.00  401.884 9.4055  388.308 13.762  13.57654       16.66900  
1 1 1 8   8   13 o 331.077 5.5332  59436.17   1984.16  61207.64   2806.29  57665.35   2805.77  335.773 7.7164  325.887 7.9490  9.885590       11.07839  
1 1 1 8   8   14 o 282.961 4.9488  43415.33   1516.68  41110.75   2143.68  45725.22   2146.15  275.155 7.1930  290.225 6.8274  -15.07010      9.917306  
1 1 1 8   8   15 o 329.508 6.6275  58956.33   2365.30  62789.85   4097.25  57040.17   2896.74  339.227 11.151  323.871 8.2579  15.35544       13.87615  
1 1 1 8   8   16 o 285.837 5.1201  44329.03   1585.13  44857.48   2242.41  43801.23   2241.02  287.274 7.2069  283.859 7.2891  3.414368       10.25038  
1 1 1 8   8   17 f 256.018 6.5953  35621.48   1828.85  35683.41   2586.39  35559.54   2586.38  255.790 9.3356  255.342 9.3519  0.4474792      13.21402  
1 1 1 8   8   18 o 152.315 4.6974  12589.05   774.945  12333.26   1095.84  12844.93   1096.03  150.603 6.7181  153.708 6.5835  -3.104675      9.406127  
1 1 1 8   8   19 o 228.514 4.2752  28331.95   1058.13  27571.23   1495.37  29094.81   1497.47  225.204 6.1306  231.365 5.9757  -6.160782      8.561154  
1 1 1 8   8   20 o 104.981 2.9313  5974.75    333.311  5620.56    486.929  6287.03    457.219  101.755 4.4182  107.646 3.9216  -5.891045      5.907509  
1 1 1 8   8   21 o 86.737  3.0769  4079.96    289.058  3906.72    405.072  4259.70    412.613  84.698  4.4310  88.568  4.3012  -3.870773      6.175323  
1 1 1 8   8   22 o 113.259 3.0759  6959.42    377.328  7266.12    531.004  6646.60    536.279  115.633 4.2398  110.572 4.4779  5.061302       6.166651  
1 1 1 8   8   23 o 52.593  3.6837  1510.75    208.513  1127.27    290.585  1917.79    299.375  44.996  6.1213  59.147  4.7123  -14.15076      7.725034  
1 1 1 8   8   24 o 64.871  3.2685  2293.93    228.910  2264.81    319.718  2324.55    327.892  64.246  4.6256  65.082  4.6829  -0.8356323     6.582201  
1 1 1 8   8   25 o 103.115 2.9066  5782.91    324.619  5458.55    471.835  6074.42    447.307  99.914  4.3601  105.498 3.9146  -5.584137      5.859596  
1 1 1 8   8   26 o 67.074  3.6402  2463.89    263.459  2129.84    369.694  2808.61    375.551  61.869  5.5769  71.316  4.8915  -9.447090      7.418103  
1 1 1 8   8   27 o 27.212  8.3546  427.289    269.873  502.494    363.728  335.184    402.530  29.662  9.7685  26.784  10.129  2.878269       14.07169  
1 1 1 8   8   28 o 19.634  8.0513  99.548     273.576  115.563    352.375  75.246     434.063  21.876  9.0706  23.137  9.8564  -1.261223      13.39498  
1 1 1 8   8   29 o ?       ?       -212.5277  35.106   -227.5868  324.373  -212.3492  35.314   16.445  7.6270  ?       ?       0.000000       7.627028  
1 1 1 8   8   30 o 13.981  6.4982  -178.3024  237.353  -100.2871  326.842  -265.3526  345.249  17.809  8.0264  16.549  7.7397  1.260042       11.15017  
1 1 1 8   8   31 o 44.388  2.7660  1086.58    132.318  1780.81    385.635  993.943    140.870  54.792  6.6333  42.349  3.0925  12.44260       7.318758  
1 1 1 8   8   32 o 19.945  7.8027  203.996    244.618  301.422    334.816  92.452     358.257  23.015  9.0899  20.082  8.7560  2.933020       12.62116  
1 1 1 8   8   33 o 32.752  1.3552  584.641    48.075   592.320    48.493   144.714    367.043  32.966  1.3581  20.401  8.8795  12.56503       8.982773  
1 1 1 8   8   34 o 10.208  3.0419  59.582     36.156   -125.8294  312.712  62.095     36.400   15.739  7.3625  10.396  3.0402  5.342965       7.965533  
1 1 1 8   8   35 o 34.801  9.2183  963.032    352.996  901.786    465.401  1045.99    541.655  30.354  10.996  31.183  11.760  -0.8291454     16.09957  
1 1 1 8   9   0  o 501.597 16.835  137064.80  9146.12  137064.80  9146.12  0.0000     0.0000   501.597 16.835  ?       ?       0.000000       16.83494  
1 1 1 8   9   1  o 524.464 10.046  149262.70  5706.75  146495.50  6988.75  154799.80  9885.99  519.302 12.425  533.078 17.122  -13.77606      21.15558  
1 1 1 8   9   2  o 480.145 11.370  125149.80  5912.68  129065.80  8362.17  121234.50  8361.41  487.047 15.852  471.968 16.357  15.07861       22.77766  
1 1 1 8   9   3  o 463.484 7.7657  116454.50  3898.38  115903.60  5513.06  117005.50  5513.22  462.147 11.014  464.343 10.962  -2.196075      15.53947  
1 1 1 8   9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   9   5  o 462.218 7.8050  115808.90  3907.40  114823.40  5525.84  116794.30  5525.96  460.027 11.090  463.966 10.996  -3.938843      15.61784  
1 1 1 8   9   6  o 381.329 6.5532  78801.55   2706.60  78047.77   3827.83  79555.24   3827.59  379.370 9.3158  383.021 9.2264  -3.651184      13.11146  
1 1 1 8   9   7  o 656.081 10.680  233549.91  7589.44  230294.30  10733.27 236805.41  10732.92 650.855 15.226  660.027 15.014  -9.171814      21.38298  
1 1 1 8   9   8  o 172.048 3.5553  16033.76   662.511  15046.19   937.821  17017.60   936.045  166.644 5.1959  177.230 4.8763  -10.58629      7.125700  
1 1 1 8   9   9  o 739.235 14.059  297088.41  11256.92 294825.81  19499.04 298219.41  13786.32 733.520 24.543  739.931 17.202  -6.410889      29.97146  
1 1 1 8   9   10 o 995.836 22.913  543381.62  24713.94 592690.38  34952.22 494080.81  34949.36 1034.92 31.182  942.850 34.224  92.06512       46.29858  
1 1 1 8   9   11 o 204.781 4.4401  22722.53   984.803  22446.99   1702.13  22861.17   1207.41  203.423 7.7254  205.377 5.4279  -1.953888      9.441637  
1 1 1 8   9   12 o 138.683 3.4266  10419.81   514.700  11562.03   632.742  8185.78    884.906  146.076 3.9992  122.670 6.6855  23.40614       7.790332  
1 1 1 8   9   13 o 426.028 6.9697  98493.44   3216.05  103462.10  4548.55  93526.38   4547.83  436.236 9.6268  414.675 10.126  21.56097       13.97159  
1 1 1 8   9   14 o 171.445 3.4569  15928.07   641.916  16237.61   903.648  15612.77   912.021  173.052 4.8212  169.684 4.9624  3.368393       6.918768  
1 1 1 8   9   15 o 169.265 4.9271  15538.82   903.300  15621.64   1276.90  15455.86   1278.02  169.590 6.9516  168.685 6.9950  0.9054108      9.861821  
1 1 1 8   9   16 o 114.985 4.1562  7169.06    517.622  7222.38    730.424  7115.26    733.643  115.192 5.8739  114.325 5.9453  0.8666229      8.357595  
1 1 1 8   9   17 o 422.886 10.197  97666.56   4670.39  99523.75   6604.70  95809.12   6605.15  425.146 14.343  417.000 14.624  8.145416       20.48408  
1 1 1 8   9   18 o 79.571  3.4372  3432.50    296.233  3244.30    504.585  3531.49    365.934  77.031  6.0976  80.579  4.2075  -3.547615      7.408376  
1 1 1 8   9   19 o 254.901 4.9282  35274.93   1360.61  34393.96   1799.42  36451.09   2079.14  251.449 6.6071  258.708 7.4200  -7.259659      9.935314  
1 1 1 8   9   20 o 83.018  3.0620  3736.69    275.326  3880.19    386.028  3588.10    392.799  84.554  4.2152  81.175  4.4851  3.379311       6.154934  
1 1 1 8   9   21 o 259.247 4.7225  36518.13   1326.04  37241.16   1874.34  35793.63   1876.25  261.384 6.6206  256.218 6.7610  5.165833       9.462758  
1 1 1 8   9   22 o 81.487  3.0980  3602.68    273.430  3946.75    383.124  3245.51    390.354  85.226  4.1505  77.108  4.6964  8.118378       6.267568  
1 1 1 8   9   23 o 62.224  3.3658  2109.42    225.996  2279.50    315.117  1929.29    324.295  64.540  4.5367  59.261  5.1022  5.278862       6.827420  
1 1 1 8   9   24 o 116.789 3.0674  7413.32    388.013  7349.18    545.761  7478.87    551.755  116.073 4.3411  117.091 4.3506  -1.017838      6.146012  
1 1 1 8   9   25 o 85.765  3.0318  4002.28    281.629  3822.25    395.114  4188.20    401.531  83.488  4.3848  87.539  4.2349  -4.050659      6.096002  
1 1 1 8   9   26 o 88.024  2.7131  4215.80    258.665  4172.18    404.238  4246.04    336.596  87.265  4.2769  88.197  3.5236  -0.9328995     5.541435  
1 1 1 8   9   27 o 87.231  3.3408  4157.86    315.644  4651.21    435.893  3613.97    457.679  91.968  4.3759  80.633  5.2695  11.33539       6.849591  
1 1 1 8   9   28 o 26.933  8.4176  422.642    272.584  729.136    367.118  46.064     406.932  34.575  9.5073  22.135  9.4892  12.44084       13.43255  
1 1 1 8   9   29 o 58.729  6.1468  1973.22    385.203  2324.42    560.346  1658.54    530.404  62.353  8.5201  51.729  9.8261  10.62408       13.00550  
1 1 1 8   9   30 o 34.108  7.1818  699.909    256.932  1072.76    357.885  303.348    369.089  41.897  8.1802  24.845  9.6218  17.05211       12.62909  
1 1 1 8   9   31 o 49.582  2.2285  1344.06    119.674  973.974    374.574  1386.14    126.293  38.819  9.0719  50.332  2.3167  -11.51291      9.363050  
1 1 1 8   9   32 o 27.630  1.7778  418.852    52.919   575.601    322.207  414.506    53.647   28.770  9.1725  27.478  1.8127  1.291378       9.349918  
1 1 1 8   9   33 o 30.865  7.5219  637.060    249.158  628.815    333.188  647.521    375.281  29.174  9.3303  29.101  9.9274  0.7250023E-01  13.62381  
1 1 1 8   9   34 f 15.452  2.6882  136.735    43.357   133.471    43.652   375.517    373.353  15.246  2.7444  23.163  9.4413  -7.916956      9.832140  
1 1 1 8   9   35 o 33.586  1.9910  624.868    72.105   617.148    449.596  625.072    73.051   25.898  10.431  33.581  2.0178  -7.683281      10.62434  
1 1 1 8   10  0  o 390.164 6.5078  82509.43   2750.14  88568.51   3889.69  76452.88   3888.88  404.089 8.8873  375.388 9.5648  28.70123       13.05634  
1 1 1 8   10  1  o 394.966 6.6836  84553.53   2859.17  85989.75   4043.62  83117.52   4043.33  398.142 9.3770  391.424 9.5372  6.717224       13.37484  
1 1 1 8   10  2  o 410.583 8.0142  91399.22   3563.93  92943.43   4364.44  88308.86   6174.19  413.923 9.7351  403.091 14.142  10.83194       17.16867  
1 1 1 8   10  3  o 161.081 3.2829  14054.25   572.760  13504.54   809.945  14604.12   810.065  157.884 4.7364  164.189 4.5552  -6.304245      6.571375  
1 1 1 8   10  4  o 181.936 3.5913  17929.34   707.691  18496.94   1000.71  17361.47   1000.95  184.776 5.0002  179.012 5.1625  5.763504       7.187037  
1 1 1 8   10  5  o 225.044 4.0956  27433.96   998.299  27340.59   1411.72  27527.36   1411.89  224.632 5.8024  225.398 5.7834  -0.7663422     8.192392  
1 1 1 8   10  6  o 474.139 7.8816  121865.30  4047.53  121362.10  5724.15  122368.40  5723.98  472.924 11.175  474.884 11.129  -1.960449      15.77110  
1 1 1 8   10  7  o 534.169 8.8562  154727.91  5123.87  153285.59  7246.47  156170.09  7246.02  531.317 12.592  536.306 12.474  -4.989075      17.72493  
1 1 1 8   10  8  o 246.969 4.5285  33043.36   1211.35  31602.91   1713.48  34482.56   1712.73  241.477 6.5514  252.247 6.2689  -10.77010      9.067522  
1 1 1 8   10  9  o 761.646 14.503  315467.59  11963.98 324140.81  14652.99 298122.31  20721.76 771.304 17.540  737.045 25.957  34.25897       31.32799  
1 1 1 8   10  10 f 799.164 14.963  347639.59  12951.65 369406.59  22435.58 336760.00  15861.53 819.948 25.263  785.454 18.645  34.49359       31.39791  
1 1 1 8   10  11 o 539.190 12.721  158162.30  7429.06  160708.09  10506.59 155616.70  10505.96 542.308 17.887  533.570 18.179  8.738220       25.50369  
1 1 1 8   10  12 o 652.825 12.352  232018.00  8733.54  242982.30  10697.04 210097.80  15125.03 667.309 14.800  617.418 22.618  49.89117       27.02964  
1 1 1 8   10  13 o 146.346 3.0444  11603.10   482.565  12191.29   681.539  11011.74   683.364  149.982 4.1955  142.536 4.4265  7.446304       6.098813  
1 1 1 8   10  14 o 278.497 4.9751  42058.29   1500.69  43140.61   2121.96  40975.26   2122.65  281.882 6.9502  274.698 7.1343  7.184143       9.960134  
1 1 1 8   10  15 o 109.493 3.3847  6497.06    401.396  6573.11    500.715  6360.29    671.454  110.111 4.1985  108.109 5.7551  2.001396       7.123756  
1 1 1 8   10  16 o 158.684 4.7582  13659.04   817.805  13652.91   1155.45  13665.20   1157.66  158.519 6.7297  158.590 6.7396  -0.7057190E-01 9.524260  
1 1 1 8   10  17 o 103.059 4.0930  5759.79    456.872  5527.23    643.574  5996.07    648.685  100.709 5.9263  104.928 5.7295  -4.219223      8.243068  
1 1 1 8   10  18 o 190.386 3.7691  19654.99   777.219  19524.34   1097.85  19786.26   1100.47  189.628 5.3453  190.898 5.3224  -1.269775      7.543179  
1 1 1 8   10  19 o 67.081  3.2104  2439.49    233.253  2628.84    326.998  2243.33    332.820  69.468  4.3683  64.104  4.8290  5.363892       6.511612  
1 1 1 8   10  20 o 129.661 3.1637  9115.83    444.303  8530.78    625.461  9711.78    631.257  125.345 4.6070  133.759 4.3573  -8.413551      6.341171  
1 1 1 8   10  21 o 61.930  3.4329  2087.06    229.363  2100.17    319.642  2073.15    329.310  61.983  4.7987  61.558  4.9818  0.4248085      6.917086  
1 1 1 8   10  22 o 107.263 3.0408  6242.09    353.269  5924.17    495.707  6570.20    503.581  104.393 4.3841  109.952 4.2286  -5.559265      6.091094  
1 1 1 8   10  23 o 136.756 3.2014  10157.07   474.201  10020.99   667.536  10295.69   673.751  135.642 4.5437  137.492 4.5243  -1.849915      6.412081  
1 1 1 8   10  24 o 86.921  3.0332  4106.21    285.560  4102.38    400.198  4110.18    407.589  86.729  4.2603  86.801  4.3354  -0.7154083E-01 6.078284  
1 1 1 8   10  25 o 56.194  3.5122  1727.60    212.690  1786.91    296.497  1664.73    305.273  56.895  4.8580  54.824  5.2034  2.071327       7.118652  
1 1 1 8   10  26 o 25.147  6.1916  364.485    167.513  161.381    267.531  495.465    214.842  20.919  8.1665  29.239  6.8960  -8.319750      10.68861  
1 1 1 8   10  27 o 24.563  1.7625  329.240    46.579   334.860    47.104   81.292     312.874  24.773  1.7671  20.487  8.5252  4.285856       8.706457  
1 1 1 8   10  28 o 43.196  6.5383  1073.94    296.331  875.336    400.595  1313.94    440.374  37.756  9.7338  46.756  9.0228  -8.999424      13.27247  
1 1 1 8   10  29 o 26.843  9.7020  396.685    362.016  410.708    585.042  387.984    460.838  29.669  11.917  27.848  10.761  1.821581       16.05632  
1 1 1 8   10  30 o 47.272  2.5258  1225.21    128.852  1149.97    376.348  1235.20    137.141  43.327  8.3222  47.428  2.6807  -4.100800      8.743265  
1 1 1 8   10  31 o 37.336  1.9379  762.445    78.095   774.354    79.820   495.755    377.720  37.622  1.9657  28.062  9.9362  9.559793       10.12877  
1 1 1 8   10  32 o 23.947  7.9495  371.060    240.700  424.990    321.175  301.960    363.552  25.317  9.1402  23.252  9.3746  2.065565       13.09301  
1 1 1 8   10  33 o 18.796  7.6032  171.275    239.992  142.370    317.953  209.549    365.869  19.587  8.3923  21.256  9.0520  -1.668659      12.34380  
1 1 1 8   10  34 o 16.546  7.3988  22.031     271.774  73.572     406.484  -19.6339   365.472  19.507  8.8558  17.891  8.2251  1.616364       12.08624  
1 1 1 8   10  35 o 56.194  6.5854  2085.52    393.217  2016.68    521.293  2176.40    598.944  49.925  9.9891  49.127  11.465  0.7974854      15.20647  
1 1 1 8   11  0  o 84.071  2.3303  3828.05    212.189  3462.90    314.227  4134.12    287.687  79.955  3.6285  87.364  3.0403  -7.409233      4.733864  
1 1 1 8   11  1  o 320.721 5.4972  55736.15   1909.59  55747.38   2700.66  55724.93   2700.48  320.665 7.7759  320.600 7.7769  0.6463623E-01  10.99748  
1 1 1 8   11  2  f 164.996 3.5141  14746.25   628.005  15190.45   936.519  14383.29   846.546  167.442 5.1639  162.938 4.7969  4.504181       7.048131  
1 1 1 8   11  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   11  4  f 406.604 6.4271  89590.22   2830.47  95490.54   4003.24  83691.97   4002.54  419.663 8.8073  392.849 9.4067  26.81381       12.88623  
1 1 1 8   11  5  o 201.844 3.6202  22067.89   791.439  21938.73   1119.31  22197.03   1119.22  201.232 5.1355  202.414 5.1051  -1.181625      7.241227  
1 1 1 8   11  6  o 163.168 3.4122  14420.91   603.027  14353.04   852.918  14488.75   852.701  162.769 4.8380  163.536 4.8141  -0.7679749     6.825065  
1 1 1 8   11  7  o 310.944 5.4798  52387.04   1845.52  52068.25   2610.25  52705.69   2609.66  309.916 7.7762  311.810 7.7272  -1.893250      10.96265  
1 1 1 8   11  8  o 441.326 7.3919  105582.00  3533.34  105199.10  4997.22  105964.90  4996.58  440.304 10.479  441.907 10.439  -1.603058      14.79126  
1 1 1 8   11  9  o 234.898 4.1985  29891.83   1068.18  33435.88   1511.79  26358.55   1509.49  248.398 5.6192  220.529 6.3196  27.86890       8.456529  
1 1 1 8   11  10 o 460.694 10.787  115250.70  5382.55  127035.00  7613.17  103473.20  7610.98  483.138 14.549  435.793 16.125  47.34561       21.71794  
1 1 1 8   11  11 f 41.209  3.4742  926.516    153.619  1106.40    195.072  632.824    249.256  45.008  4.0448  33.528  7.0856  11.47915       8.158811  
1 1 1 8   11  12 o 31.567  3.5685  546.778    119.864  878.585    173.830  246.002    165.502  40.061  4.0624  21.312  6.5424  18.74913       7.701055  
1 1 1 8   11  13 o 324.992 5.6613  57278.88   1992.79  58244.07   2817.86  56313.17   2818.61  327.496 7.9441  322.006 8.0817  5.489807       11.33231  
1 1 1 8   11  14 o 327.794 6.0606  58304.11   2151.74  58732.73   2828.67  57715.46   3314.88  328.764 7.9438  325.684 9.3972  3.079620       12.30496  
1 1 1 8   11  15 f 379.159 9.2032  78265.75   3779.45  78531.38   5344.81  78000.09   5345.08  378.804 13.027  377.507 13.073  1.297363       18.45525  
1 1 1 8   11  16 o 170.967 5.4566  15863.72   1010.42  16057.28   1292.83  15559.93   1619.69  171.892 6.9441  168.790 8.8910  3.101898       11.28142  
1 1 1 8   11  17 o 108.406 2.9348  6368.70    344.582  6152.31    485.546  6588.26    489.100  106.508 4.2090  110.221 4.0970  -3.713127      5.873714  
1 1 1 8   11  18 o 261.376 4.7111  37072.92   1333.69  34614.90   1884.51  39539.39   1887.75  252.270 6.8970  269.689 6.4626  -17.41962      9.451716  
1 1 1 8   11  19 o 317.708 5.5622  54839.40   1914.00  54587.39   2706.20  55091.64   2707.41  316.462 7.8953  317.929 7.8624  -1.466827      11.14239  
1 1 1 8   11  20 o 125.974 3.1620  8604.78    431.427  8793.23    601.755  8405.47    618.865  127.275 4.3652  124.422 4.5923  2.853462       6.335954  
1 1 1 8   11  21 o 97.817  3.0436  5188.97    322.461  5054.35    452.026  5328.46    460.139  96.470  4.3261  99.054  4.2889  -2.583710      6.091800  
1 1 1 8   11  22 o 90.245  3.0445  4418.69    297.582  4381.36    416.549  4457.60    425.276  89.781  4.2836  90.555  4.3360  -0.7737045     6.095079  
1 1 1 8   11  23 o 45.891  4.0097  1154.31    197.302  1270.96    274.502  1029.63    283.784  47.957  5.3774  42.926  6.2904  5.030865       8.275618  
1 1 1 8   11  24 o 149.726 3.3829  12195.27   548.604  12189.19   778.793  12201.25   772.926  149.344 4.8146  149.429 4.7757  -0.8482361E-01 6.781424  
1 1 1 8   11  25 o 133.908 3.1770  9762.22    460.777  10089.64   649.557  9430.56    653.737  135.803 4.4161  131.236 4.5992  4.566574       6.376071  
1 1 1 8   11  26 o 40.994  4.5215  932.924    197.418  988.166    288.913  884.539    270.390  41.655  6.6255  39.379  6.5710  2.275799       9.331438  
1 1 1 8   11  27 o 86.097  3.2707  4049.34    305.003  4016.60    422.003  4085.15    441.324  85.277  4.5857  85.940  4.7598  -0.6622314     6.609476  
1 1 1 8   11  28 o 57.595  2.6855  1809.53    167.527  1896.61    345.943  1782.85    191.476  58.035  5.5721  57.016  3.1124  1.018761       6.382374  
1 1 1 8   11  29 o 26.346  9.3198  388.320    332.235  541.657    482.431  249.996    458.206  30.621  11.180  25.681  10.463  4.939930       15.31172  
1 1 1 8   11  30 o 49.083  6.9543  1421.05    359.359  1589.51    496.784  1236.14    520.465  50.328  9.4608  43.149  11.079  7.179241       14.56914  
1 1 1 8   11  31 o 21.296  7.8047  245.226    235.449  312.475    308.762  151.786    363.953  23.760  8.8947  21.776  9.1383  1.983450       12.75244  
1 1 1 8   11  32 o 59.173  2.8202  1940.64    180.746  1943.26    199.995  1928.97    422.253  58.975  3.1423  55.338  7.2168  3.636761       7.871225  
1 1 1 8   11  33 o 34.195  7.0978  762.536    254.273  655.615    339.759  898.668    383.371  29.667  9.4149  34.460  9.8040  -4.792803      13.59255  
1 1 1 8   11  34 o 16.234  2.1803  148.032    37.367   147.021    411.452  148.040    37.522   20.364  9.1051  16.232  2.1902  4.132586       9.364820  
1 1 1 8   11  35 o 20.589  8.6993  264.593    333.484  279.832    430.764  241.799    526.846  21.425  9.4624  21.625  9.9172  -0.1992111     13.70722  
1 1 1 8   12  0  f 621.414 20.680  210746.91  13918.99 0.0000     0.0000   210746.91  13918.99 ?       ?       621.414 20.680  0.000000       20.68030  
1 1 1 8   12  1  o 174.417 3.5182  16478.35   664.635  16172.00   940.444  16784.04   939.427  172.769 5.0257  176.009 4.9278  -3.240448      7.038567  
1 1 1 8   12  2  o 255.226 5.4384  35294.08   1503.37  34564.00   1842.01  36750.62   2601.76  252.539 6.7343  260.319 9.2276  -7.780106      11.42367  
1 1 1 8   12  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   12  4  o 534.550 10.279  154996.00  5951.44  152187.50  7288.21  160616.59  10310.44 529.459 12.709  543.320 17.521  -13.86078      21.64485  
1 1 1 8   12  5  o 228.795 4.2632  28356.69   1056.47  28431.25   1494.04  28282.12   1494.10  229.064 6.0219  228.462 6.0381  0.6018677      8.527708  
1 1 1 8   12  6  o 51.499  2.3742  1436.43    132.434  1451.14    186.895  1421.60    187.687  51.651  3.3591  51.117  3.4096  0.5342369      4.786275  
1 1 1 8   12  7  o 476.602 8.0386  123148.90  4149.62  119269.80  5868.67  127027.40  5868.23  468.760 11.559  483.799 11.199  -15.03827      16.09420  
1 1 1 8   12  8  o 402.588 6.8777  87849.57   2998.99  88302.95   4241.66  87396.39   4240.77  403.452 9.7068  401.372 9.7550  2.079803       13.76159  
1 1 1 8   12  9  o 220.722 4.0102  26392.19   958.692  27327.10   1357.83  25462.86   1353.77  224.563 5.5826  216.764 5.7662  7.799683       8.025842  
1 1 1 8   12  10 o 497.030 9.3285  134062.80  5021.87  135819.91  8697.06  133183.91  6150.88  499.256 16.083  495.136 11.469  4.120544       19.75412  
1 1 1 8   12  11 o 411.762 8.0069  91992.91   3570.91  94660.16   4374.31  86664.64   6182.60  417.508 9.6733  398.834 14.312  18.67395       17.27465  
1 1 1 8   12  12 o 343.099 6.2311  63838.76   2315.56  61993.52   3042.55  66378.70   3569.63  337.920 8.3129  349.543 9.4287  -11.62332      12.57001  
1 1 1 8   12  13 o 541.046 9.0216  159105.30  5286.74  159874.59  7476.77  158336.00  7476.39  541.375 12.751  538.744 12.813  2.630249       18.07632  
1 1 1 8   12  14 o 458.984 10.966  114834.50  5451.65  121625.90  7709.87  108043.40  7709.72  470.984 15.114  443.560 16.048  27.42410       22.04444  
1 1 1 8   12  15 o 108.176 4.0906  6344.00    479.285  6485.20    677.815  6202.80    677.808  109.167 5.7529  106.744 5.8854  2.422325       8.230022  
1 1 1 8   12  16 o 203.438 4.5451  22447.24   1001.49  24150.69   1733.26  21593.48   1227.06  210.730 7.5939  199.447 5.6803  11.28342       9.483292  
1 1 1 8   12  17 o 100.775 2.9007  5503.65    316.610  5349.35    445.133  5661.64    450.422  99.317  4.1381  102.177 4.0700  -2.860245      5.804177  
1 1 1 8   12  18 o 166.628 3.4804  15053.04   628.120  14010.65   885.729  16107.60   890.886  160.654 5.0903  172.282 4.7743  -11.62807      6.978906  
1 1 1 8   12  19 o 184.892 3.7013  18539.70   741.219  17328.22   1045.90  19762.09   1050.60  178.604 5.4067  190.769 5.0846  -12.16483      7.421956  
1 1 1 8   12  20 o 115.034 3.0725  7174.69    382.811  6880.73    538.318  7475.43    544.488  112.583 4.4147  117.355 4.2837  -4.772758      6.151339  
1 1 1 8   12  21 o 92.059  2.8091  4595.14    280.098  5020.74    423.076  4263.02    373.733  96.164  4.0620  88.620  3.8937  7.543945       5.626735  
1 1 1 8   12  22 f 116.880 3.0134  7411.80    381.471  7083.05    540.302  7738.57    538.665  114.142 4.3704  119.328 4.1678  -5.185898      6.039112  
1 1 1 8   12  23 o 151.557 3.4555  12481.82   567.235  12078.47   772.457  12953.86   835.645  148.854 4.7912  154.107 5.0064  -5.253448      6.929649  
1 1 1 8   12  24 o 64.044  2.5619  2227.12    177.713  2201.15    211.249  2290.00    328.705  63.634  3.0650  64.570  4.7331  -0.9357986     5.638841  
1 1 1 8   12  25 o 105.476 3.0223  6054.08    345.276  5588.74    484.901  6532.68    491.759  101.062 4.4299  109.332 4.1527  -8.270195      6.072019  
1 1 1 8   12  26 o 71.305  3.2734  2772.93    252.806  2612.39    363.401  2923.48    351.918  68.743  4.9131  72.861  4.4811  -4.117989      6.649740  
1 1 1 8   12  27 o 72.342  3.4385  2861.53    269.417  2870.06    370.873  2852.01    392.032  71.978  4.7845  71.646  5.0850  0.3313599      6.981994  
1 1 1 8   12  28 o 17.616  7.0741  95.517     206.119  114.038    273.490  71.164     313.604  19.881  8.0896  20.184  8.4770  -0.3022099     11.71755  
1 1 1 8   12  29 o 21.768  7.8548  244.911    237.150  124.702    319.051  393.320    354.504  21.016  8.6654  26.675  9.6066  -5.658373      12.93738  
1 1 1 8   12  30 o 19.465  8.1965  78.650     294.427  451.354    384.031  -452.8082  458.583  27.786  9.9995  17.991  8.5648  9.795166       13.16608  
1 1 1 8   12  31 o 30.594  1.1379  508.215    37.706   -81.0413   305.137  517.352    37.997   17.155  7.7411  30.868  1.1365  -13.71371      7.824084  
1 1 1 8   12  32 o 24.575  7.9891  396.620    243.572  197.161    319.774  672.276    375.924  20.886  8.6490  30.348  9.9279  -9.461927      13.16696  
1 1 1 8   12  33 o 19.037  7.6498  182.859    241.204  89.178     321.004  304.342    365.547  18.848  8.2510  22.661  9.3013  -3.813038      12.43359  
1 1 1 8   12  34 o 19.176  7.9972  185.819    276.168  35.387     417.136  303.213    368.493  19.242  8.8244  21.970  9.2062  -2.728622      12.75239  
1 1 1 8   12  35 o 38.370  8.8697  1125.05    361.237  1424.24    472.044  702.211    561.173  40.477  10.630  26.339  11.214  14.13832       15.45154  
1 1 1 8   13  0  o 486.505 9.4605  128376.70  4985.08  110335.90  8635.34  137394.20  6105.13  450.156 17.711  503.145 11.203  -52.98880      20.95685  
1 1 1 8   13  1  o 371.707 7.3236  74891.49   2948.45  63204.66   5108.12  80730.58   3610.65  341.083 13.827  385.858 8.6395  -44.77505      16.30426  
1 1 1 8   13  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   13  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   13  4  o 121.716 2.8187  8023.98    371.600  8036.70    525.302  8011.25    525.740  121.805 3.9817  121.612 3.9914  0.1931229      5.637857  
1 1 1 8   13  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   13  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   13  7  o 177.156 3.4983  16999.83   671.258  17157.44   949.953  16842.66   948.654  177.957 4.9285  176.316 4.9676  1.640579       6.997653  
1 1 1 8   13  8  o 438.528 7.4195  104251.10  3524.04  108305.50  4984.39  100198.70  4983.09  446.762 10.301  429.682 10.707  17.07968       14.85769  
1 1 1 8   13  9  o 670.417 10.793  243993.59  7837.44  262200.81  11084.84 225793.09  11082.79 694.258 14.741  644.024 15.888  50.23438       21.67364  
1 1 1 8   13  10 o 167.117 3.8366  15130.02   694.445  15208.34   1197.11  15090.29   852.554  167.490 6.5990  166.882 4.7167  0.6077728      8.111349  
1 1 1 8   13  11 o 496.437 9.5073  133829.30  5112.02  126562.00  6260.82  148365.30  8854.60  482.384 11.983  521.484 15.677  -39.10074      19.73211  
1 1 1 8   13  12 o 612.638 10.165  204029.91  6744.85  202253.41  9538.62  205806.50  9538.69  608.784 14.466  614.149 14.340  -5.365051      20.36909  
1 1 1 8   13  13 o 499.444 11.855  135953.41  6413.14  132515.00  9068.97  139392.59  9070.12  491.422 17.039  504.177 16.610  -12.75513      23.79482  
1 1 1 8   13  14 o 463.798 11.035  117277.10  5543.39  110752.60  7838.50  123805.10  7840.56  449.013 16.118  475.093 15.237  -26.07962      22.17986  
1 1 1 8   13  15 o 238.566 7.1581  30922.29   1849.59  30961.49   2275.49  30845.96   3175.27  238.519 8.8081  237.187 12.403  1.331238       15.21248  
1 1 1 8   13  16 o 130.387 3.5643  9215.48    503.355  8855.91    867.396  9398.05    618.070  127.693 6.2716  131.643 4.3348  -3.950279      7.623916  
1 1 1 8   13  17 o 100.312 2.9138  5453.18    316.583  5515.05    445.073  5389.82    450.407  100.845 4.0748  99.690  4.1714  1.154869       5.831350  
1 1 1 8   13  18 o 189.279 3.7569  19427.43   770.189  19428.97   1087.56  19425.88   1090.87  189.163 5.3082  189.147 5.3248  0.1658630E-01  7.518669  
1 1 1 8   13  19 o 139.714 3.2563  10583.06   492.759  10911.46   676.748  10212.47   718.892  141.799 4.4064  137.153 4.8393  4.646088       6.544883  
1 1 1 8   13  20 o 109.082 3.0465  6451.38    359.939  6803.81    505.285  6088.30    512.861  111.966 4.1666  105.897 4.4714  6.068237       6.111799  
1 1 1 8   13  21 o 108.833 3.0456  6423.72    359.009  5992.53    504.264  6866.92    511.237  105.032 4.4327  112.451 4.1975  -7.419701      6.104712  
1 1 1 8   13  22 o 102.590 2.9510  5709.97    327.897  5814.83    485.436  5621.99    444.673  103.420 4.3337  101.716 4.0363  1.703117       5.922191  
1 1 1 8   13  23 o 136.131 3.2249  10066.43   475.496  10205.15   656.204  9913.06    689.972  136.883 4.4261  134.856 4.7238  2.026535       6.473365  
1 1 1 8   13  24 o 50.315  3.5023  1384.39    189.673  1346.11    251.652  1434.73    288.607  49.407  4.7616  50.913  5.3119  -1.506611      7.133665  
1 1 1 8   13  25 o 67.859  3.2043  2507.47    235.506  2492.35    328.716  2523.43    337.572  67.322  4.5345  67.720  4.6301  -0.3983536     6.480731  
1 1 1 8   13  26 o 95.535  2.9409  4971.13    304.310  4620.49    396.212  5475.51    475.196  91.886  3.9812  99.914  4.3911  -8.028229      5.927207  
1 1 1 8   13  27 o 60.017  3.7730  1981.08    244.013  1899.56    333.061  2075.53    358.516  58.320  5.3317  60.927  5.4919  -2.606373      7.654272  
1 1 1 8   13  28 o 34.641  5.8480  689.105    211.606  564.456    287.011  837.554    313.214  30.669  8.3952  37.507  7.9565  -6.838284      11.56656  
1 1 1 8   13  29 o 39.835  2.6328  870.605    112.953  1177.16    330.260  829.996    120.202  44.797  7.0389  38.842  2.8777  5.954983       7.604386  
1 1 1 8   13  30 o 57.618  5.8532  1907.76    360.206  2269.94    483.753  1457.07    539.632  61.914  7.3579  47.147  10.800  14.76736       13.06792  
1 1 1 8   13  31 o 34.161  8.6871  753.717    322.154  1060.75    423.982  334.324    495.528  39.807  9.8801  26.226  10.805  13.58108       14.64093  
1 1 1 8   13  32 o 18.025  1.6769  178.946    32.363   7.1532     305.867  180.891    32.546   17.739  7.8967  18.124  1.6770  -0.3845329     8.072805  
1 1 1 8   13  33 o 26.527  8.2644  491.516    262.984  263.389    361.882  746.822    382.833  21.969  9.1576  31.035  10.009  -9.065619      13.56637  
1 1 1 8   13  34 o 20.373  8.5737  226.349    321.849  142.947    421.005  343.638    499.261  20.384  9.1551  23.208  10.222  -2.824150      13.72205  
1 1 1 8   13  35 o 25.739  9.3732  548.791    338.814  665.668    441.411  381.182    528.599  26.782  10.480  22.962  10.289  3.820189       14.68698  
1 1 1 8   14  0  o 339.922 7.1346  62626.97   2626.74  54863.55   4551.12  66504.91   3216.56  317.832 13.221  350.227 8.4795  -32.39487      15.70622  
1 1 1 8   14  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   14  2  o 637.382 21.176  221552.41  14619.00 0.0000     0.0000   221552.41  14619.00 ?       ?       637.382 21.176  0.000000       21.17619  
1 1 1 8   14  3  o 278.247 4.5678  41941.20   1376.61  40530.00   1946.81  43352.44   1946.84  273.480 6.5725  282.848 6.3549  -9.368164      9.142305  
1 1 1 8   14  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   14  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   14  6  o 663.339 10.905  238758.80  7835.16  240360.09  11080.81 237157.70  11080.38 664.918 15.386  660.457 15.490  4.461548       21.83265  
1 1 1 8   14  7  o 95.221  2.5464  4910.79    262.623  5318.66    373.259  4510.92    369.578  99.091  3.4778  91.256  3.7392  7.835663       5.106514  
1 1 1 8   14  8  o 989.195 32.940  540792.88  35292.07 540792.88  35292.07 0.0000     0.0000   989.195 32.940  ?       ?       0.000000       32.94011  
1 1 1 8   14  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   14  10 o 406.218 9.7542  89578.00   4291.62  89076.18   6069.33  90079.80   6069.20  404.587 13.850  406.871 13.772  -2.283905      19.53218  
1 1 1 8   14  11 o 802.168 13.218  350358.31  11484.03 364085.59  16241.44 336632.91  16240.30 815.685 18.384  783.996 19.125  31.68854       26.52808  
1 1 1 8   14  12 o 544.526 10.491  161240.70  6187.38  162249.00  7577.93  159224.00  10716.92 545.670 12.822  538.819 18.364  6.851257       22.39688  
1 1 1 8   14  13 o 305.025 7.5940  50521.89   2508.88  49712.10   3549.33  51330.55   3546.84  302.150 10.846  307.056 10.665  -4.906769      15.21071  
1 1 1 8   14  14 o 412.881 11.548  93010.30   5164.07  95217.34   6185.94  87935.71   9379.97  417.122 13.692  397.094 21.894  20.02783       25.82264  
1 1 1 8   14  15 o 204.353 4.5401  22645.36   1004.89  22424.32   1230.45  23088.05   1741.31  203.284 5.5884  206.074 7.8016  -2.790421      9.596624  
1 1 1 8   14  16 o 304.639 6.1983  50402.61   2045.16  52408.33   3542.28  49399.71   2504.81  309.801 10.557  301.363 7.6739  8.437500       13.05117  
1 1 1 8   14  17 o 230.551 4.2981  28830.05   1073.27  28317.50   1516.76  29344.07   1518.92  228.309 6.1337  232.422 6.0337  -4.113327      8.603987  
1 1 1 8   14  18 o 217.382 4.1448  25632.13   975.894  25167.39   1380.53  26096.32   1379.71  215.223 5.9223  219.172 5.8121  -3.949158      8.297828  
1 1 1 8   14  19 o 159.070 3.5770  13721.87   616.276  14279.62   908.172  13245.83   839.022  162.150 5.1711  156.188 4.9597  5.961899       7.165113  
1 1 1 8   14  20 o 174.599 3.5766  16535.71   676.373  16456.16   953.504  16616.29   959.597  174.038 5.0583  174.882 5.0661  -0.8437958     7.159065  
1 1 1 8   14  21 o 56.274  3.5494  1725.17    215.227  2039.08    298.042  1383.07    311.135  61.096  4.5364  50.066  5.8479  11.02956       7.401089  
1 1 1 8   14  22 o 44.444  4.1277  1082.72    196.427  901.144    273.054  1277.45    282.780  40.113  6.5078  48.102  5.5281  -7.989414      8.538843  
1 1 1 8   14  23 o 64.258  3.3091  2249.31    229.525  2447.30    320.022  2039.57    329.374  66.883  4.4430  60.936  5.0356  5.946751       6.715477  
1 1 1 8   14  24 o 46.084  4.0564  1166.72    200.403  1297.58    289.004  1045.51    278.134  48.319  5.6276  43.197  6.1155  5.122059       8.310834  
1 1 1 8   14  25 o 16.753  2.1277  154.804    37.737   300.938    232.633  150.855    38.243   23.649  7.8134  16.525  2.1907  7.123354       8.114732  
1 1 1 8   14  26 o 61.073  3.6917  2045.65    243.051  1998.57    331.489  2100.40    357.427  60.007  5.1502  61.447  5.4262  -1.439804      7.481217  
1 1 1 8   14  27 o 42.577  1.8532  984.550    85.463   748.594    287.044  1007.50    89.522   35.703  7.6528  43.066  1.9192  -7.362995      7.889800  
1 1 1 8   14  28 o 37.582  5.7198  806.785    225.478  886.932    317.690  725.431    320.072  38.650  7.8567  34.656  8.5740  3.993626       11.62935  
1 1 1 8   14  29 o 35.816  6.2611  747.510    234.040  940.859    304.785  469.676    365.355  39.815  7.3380  28.334  9.7904  11.48084       12.23513  
1 1 1 8   14  30 o 37.420  6.3377  822.869    247.699  892.331    324.990  726.586    382.621  38.129  8.1183  33.645  9.8620  4.484047       12.77365  
1 1 1 8   14  31 o 34.315  8.6230  760.490    320.105  594.045    421.431  987.477    492.143  29.922  10.505  37.267  11.250  -7.344780      15.39175  
1 1 1 8   14  32 o 19.509  7.6707  194.862    237.438  170.088    309.052  230.550    370.929  20.212  8.4471  22.052  9.2382  -1.839832      12.51795  
1 1 1 8   14  33 o 22.978  8.0358  352.769    246.492  295.082    321.847  434.610    383.348  22.108  8.8532  24.870  9.7569  -2.761908      13.17487  
1 1 1 8   14  34 o 20.847  8.2891  275.137    280.158  128.676    420.305  392.237    375.823  20.203  9.1039  23.341  9.4886  -3.138083      13.14970  
1 1 1 8   14  35 o 31.891  9.4354  832.567    348.794  1056.47    453.555  508.490    545.656  33.653  10.899  24.278  10.690  9.374542       15.26610  
1 1 1 8   15  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   15  1  o 594.881 19.802  192823.50  12758.93 0.0000     0.0000   192823.50  12758.93 ?       ?       594.881 19.802  0.000000       19.80222  
1 1 1 8   15  2  o 806.960 26.723  356485.00  23356.63 0.0000     0.0000   356485.00  23356.63 ?       ?       806.960 26.723  0.000000       26.72319  
1 1 1 8   15  3  o 535.786 12.633  155837.41  7331.26  152935.09  10368.19 158739.50  10367.76 530.107 18.058  540.122 17.722  -10.01483      25.30168  
1 1 1 8   15  4  o 545.610 12.790  161618.80  7558.00  170523.00  10689.44 152717.30  10687.83 559.810 17.630  529.631 18.631  30.17938       25.65025  
1 1 1 8   15  5  o 806.786 26.729  356483.31  23357.05 356483.31  23357.05 0.0000     0.0000   806.786 26.729  ?       ?       0.000000       26.72941  
1 1 1 8   15  6  o 463.301 7.5070  116351.90  3767.02  115653.60  5327.59  117050.00  5327.15  461.690 10.654  464.474 10.589  -2.784119      15.02123  
1 1 1 8   15  7  o 55.786  2.4167  1685.51    146.022  1616.42    208.054  1752.58    204.993  54.512  3.5430  56.783  3.3479  -2.271233      4.874593  
1 1 1 8   15  8  o 322.753 5.5124  56446.23   1926.99  58769.99   2726.40  54126.64   2723.94  329.241 7.6455  315.952 7.9599  13.28891       11.03690  
1 1 1 8   15  9  o 348.300 6.6801  65760.67   2520.03  62077.04   4361.72  67606.41   3087.49  338.049 11.913  353.076 8.0736  -15.02673      14.39076  
1 1 1 8   15  10 o 302.966 6.0881  49756.37   1997.76  51366.08   2448.41  46550.03   3455.54  307.760 7.3452  292.730 10.899  15.02994       13.14285  
1 1 1 8   15  11 f 288.962 5.1054  45256.56   1597.87  45968.55   2260.92  44546.06   2258.55  291.109 7.1706  286.563 7.2768  4.546539       10.21615  
1 1 1 8   15  12 o 422.906 10.151  97242.72   4649.85  94888.96   6576.17  99596.08   6575.61  416.880 14.564  427.178 14.212  -10.29803      20.34953  
1 1 1 8   15  13 o 218.997 5.8154  26014.59   1379.40  24849.30   1948.87  27184.42   1952.67  213.847 8.4141  223.701 8.0592  -9.853287      11.65108  
1 1 1 8   15  14 o 172.943 4.0132  16212.25   751.726  17851.73   1302.72  15393.82   920.426  181.333 6.6329  168.476 5.0441  12.85675       8.332957  
1 1 1 8   15  15 o 178.345 4.1617  17244.68   803.909  16569.86   984.219  18597.34   1393.44  174.765 5.1996  185.020 6.9534  -10.25493      8.682495  
1 1 1 8   15  16 f 229.871 5.3997  28678.79   1344.38  31069.73   2135.58  27109.31   1730.24  238.913 8.2529  223.308 7.1537  15.60434       10.92181  
1 1 1 8   15  17 o 235.658 4.3337  30122.70   1106.14  29386.76   1564.72  30857.87   1563.90  232.568 6.2118  238.337 6.0583  -5.769058      8.676935  
1 1 1 8   15  18 o 205.020 4.2295  22801.56   939.204  21884.95   1251.65  23982.75   1420.85  200.713 5.7575  210.055 6.2452  -9.341949      8.494212  
1 1 1 8   15  19 f 248.640 4.6760  33559.43   1259.28  31872.25   1920.05  34832.97   1668.17  241.892 7.3286  253.106 6.0851  -11.21394      9.525562  
1 1 1 8   15  20 o 34.672  5.0158  666.531    182.885  605.070    249.150  738.337    269.302  32.685  7.2297  36.187  7.1245  -3.502522      10.15019  
1 1 1 8   15  21 o 84.325  3.0357  3856.50    277.257  3439.37    384.387  4308.88    400.297  79.439  4.4859  89.076  4.1491  -9.637268      6.110469  
1 1 1 8   15  22 o 66.901  3.2451  2429.35    235.145  2555.80    326.237  2292.63    339.234  68.412  4.4266  64.718  4.8754  3.693886       6.585095  
1 1 1 8   15  23 o 153.786 3.3675  12851.91   560.916  12745.44   790.932  12959.64   795.597  152.883 4.7765  154.165 4.7647  -1.281906      6.746678  
1 1 1 8   15  24 o 82.030  3.0383  3658.29    269.940  3400.17    377.850  3927.35    385.779  78.785  4.4461  84.842  4.1981  -6.056953      6.114930  
1 1 1 8   15  25 o 73.837  2.5494  2963.07    203.881  3128.25    345.475  2874.80    252.549  75.514  4.2411  72.653  3.2094  2.860855       5.318552  
1 1 1 8   15  26 o 40.155  4.9354  900.312    210.135  758.770    283.165  1073.80    313.497  36.137  7.4811  43.346  6.9095  -7.208881      10.18370  
1 1 1 8   15  27 f 52.531  4.1230  1524.67    232.703  1411.68    315.278  1659.89    344.897  50.002  5.9376  54.260  5.9672  -4.258362      8.417974  
1 1 1 8   15  28 o 61.697  3.7682  2099.53    250.600  2126.68    342.664  2068.32    367.435  61.605  5.1837  60.551  5.6686  1.053936       7.681330  
1 1 1 8   15  29 o 63.222  2.5732  2183.17    176.201  2231.30    197.962  1999.68    386.561  63.850  2.8625  59.072  6.1311  4.777798       6.766388  
1 1 1 8   15  30 o 22.985  7.5268  307.035    216.054  288.474    267.630  341.766    366.094  23.076  8.3416  25.466  9.6523  -2.389717      12.75734  
1 1 1 8   15  31 o 29.279  9.0351  558.791    315.171  461.085    409.902  700.089    492.935  27.344  10.246  31.785  11.341  -4.441374      15.28372  
1 1 1 8   15  32 o 34.577  8.7478  825.588    327.859  1328.57    430.691  132.465    505.587  43.500  9.4145  22.534  10.083  20.96563       13.79482  
1 1 1 8   15  33 o 26.985  2.5682  407.156    74.159   779.839    333.533  387.774    76.063   32.645  9.0948  26.283  2.7109  6.362160       9.490227  
1 1 1 8   15  34 o 20.421  8.5622  233.272    319.048  59.251     414.503  486.249    499.768  19.388  8.8559  24.805  10.572  -5.417549      13.79098  
1 1 1 8   15  35 o 27.451  9.4733  631.367    342.023  550.515    442.774  750.985    538.562  25.011  10.248  27.127  11.228  -2.115295      15.20173  
1 1 1 8   16  0  o 272.204 4.9601  40141.42   1462.35  39679.65   1687.63  41532.92   2929.60  270.616 5.7578  276.730 9.7742  -6.114502      11.34405  
1 1 1 8   16  1  f 746.981 24.748  304984.00  20022.21 0.0000     0.0000   304984.00  20022.21 ?       ?       746.981 24.748  0.000000       24.74754  
1 1 1 8   16  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   16  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   16  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   16  5  o 188.620 3.7189  19271.44   759.757  19633.92   1073.85  18908.14   1075.06  190.366 5.2082  186.813 5.3132  3.553238       7.440128  
1 1 1 8   16  6  o 452.241 7.7437  110870.90  3793.05  111567.80  5364.48  110174.10  5363.90  453.435 10.923  450.588 10.991  2.846680       15.49551  
1 1 1 8   16  7  o 322.094 6.4522  56224.90   2250.93  55826.09   2756.39  57023.24   3899.93  320.888 7.9308  324.135 11.109  -3.246857      13.64913  
1 1 1 8   16  8  o 492.769 8.2107  131674.00  4382.22  134310.70  6198.20  129038.60  6196.60  497.362 11.506  487.478 11.736  9.884766       16.43550  
1 1 1 8   16  9  o 459.590 9.0025  114594.90  4481.29  118704.90  7761.56  112539.60  5488.53  466.959 15.346  455.234 11.131  11.72513       18.95824  
1 1 1 8   16  10 o 840.240 16.158  385028.69  14704.61 374046.31  18009.90 406989.59  25467.72 826.582 20.117  858.263 27.397  -31.68146      33.98913  
1 1 1 8   16  11 o 561.291 13.221  171588.30  8037.55  174027.50  11368.53 169150.59  11365.09 563.695 18.620  555.652 18.884  8.043396       26.52047  
1 1 1 8   16  12 o 260.294 7.6624  36777.79   2160.24  37078.71   2641.41  36169.95   3754.02  261.209 9.3363  257.152 13.526  4.057617       16.43523  
1 1 1 8   16  13 o 475.388 9.2157  122897.00  4745.12  118037.10  8219.04  125326.70  5811.47  463.831 16.360  479.594 11.188  -15.76337      19.81981  
1 1 1 8   16  14 o 301.346 5.2653  49256.81   1718.54  50151.16   2430.99  48363.35   2429.77  303.835 7.3871  298.354 7.5191  5.481628       10.54066  
1 1 1 8   16  15 f 312.951 5.4278  53142.92   1839.80  52196.69   2600.66  54090.91   2603.06  309.838 7.7496  315.431 7.6192  -5.592865      10.86779  
1 1 1 8   16  16 o 152.393 3.8153  12590.66   629.736  12865.33   1086.40  12451.67   772.812  153.883 6.5182  151.505 4.7095  2.377487       8.041566  
1 1 1 8   16  17 o 131.852 3.1951  9423.03    456.297  9528.90    633.892  9309.19    657.349  132.538 4.4157  130.990 4.6333  1.547852       6.400456  
1 1 1 8   16  18 o 193.506 3.9511  20308.25   828.109  19667.31   1107.64  21120.54   1246.94  190.309 5.3737  197.166 5.8391  -6.857117      7.935417  
1 1 1 8   16  19 o 112.324 3.0566  6839.68    371.860  7361.34    521.534  6300.21    530.357  116.480 4.1339  107.737 4.5450  8.742851       6.143810  
1 1 1 8   16  20 o 247.925 4.5457  33376.31   1220.65  33624.28   1724.62  33127.39   1727.90  248.517 6.4072  246.662 6.4676  1.855392       9.103962  
1 1 1 8   16  21 o 140.708 3.2512  10740.59   495.486  10810.12   696.382  10669.30   705.146  141.044 4.5585  140.113 4.6465  0.9309540      6.509248  
1 1 1 8   16  22 o 122.720 3.0831  8173.15    409.799  7763.58    573.907  8599.22    585.349  119.471 4.4351  125.754 4.2976  -6.282166      6.175737  
1 1 1 8   16  23 o 22.333  6.7053  276.604    175.193  319.454    249.443  234.892    246.110  24.552  8.0898  22.324  8.0080  2.227623       11.38304  
1 1 1 8   16  24 f 20.398  6.5841  223.676    165.629  422.957    229.354  6.4801     239.442  27.197  7.5294  17.200  7.3238  9.996401       10.50380  
1 1 1 8   16  25 o 59.277  3.5082  1922.51    224.236  2172.10    324.030  1693.13    310.630  62.752  4.8039  55.253  5.2538  7.499146       7.119021  
1 1 1 8   16  26 o 51.797  4.0684  1478.27    226.404  1431.39    307.400  1533.85    334.708  50.544  5.7156  52.249  6.0249  -1.705044      8.304628  
1 1 1 8   16  27 o 120.066 3.2062  7875.15    416.954  7948.93    591.600  7802.32    587.743  120.103 4.5478  118.984 4.5607  1.118507       6.440692  
1 1 1 8   16  28 o 84.377  2.9472  3890.97    269.339  3445.36    339.897  4642.96    441.549  79.006  3.9849  91.639  4.4487  -12.63287      5.972448  
1 1 1 8   16  29 o 32.144  2.0313  564.787    70.356   771.376    289.077  551.780    72.537   35.794  7.6860  31.757  2.1211  4.037672       7.973279  
1 1 1 8   16  30 o 56.302  4.1044  1770.33    248.566  1833.04    348.523  1705.41    354.607  56.478  5.7789  54.258  6.1422  2.219288       8.433430  
1 1 1 8   16  31 o 24.672  8.2128  376.181    256.846  277.321    351.353  489.645    376.412  23.445  9.2952  27.661  9.9056  -4.215872      13.58390  
1 1 1 8   16  32 o 16.429  7.5150  -82.2511   299.854  -210.6816  386.283  112.472    475.642  17.189  8.0859  21.914  9.7943  -4.725054      12.70083  
1 1 1 8   16  33 o 17.458  7.3967  103.149    242.159  207.669    317.934  -41.2667   373.719  20.507  8.5688  18.193  8.3470  2.313492       11.96229  
1 1 1 8   16  34 o 22.248  8.8766  339.602    322.296  462.940    418.295  159.399    505.608  24.438  9.9809  21.341  9.7606  3.096716       13.96023  
1 1 1 8   16  35 o 17.910  8.0324  79.828     322.859  69.688     416.121  95.164     511.758  19.080  8.7737  20.311  9.4739  -1.230732      12.91249  
1 1 1 8   17  0  o 396.371 7.5210  85155.77   3228.84  82114.06   3953.30  91250.44   5595.97  389.136 9.3797  409.995 12.602  -20.85934      15.70921  
1 1 1 8   17  1  o 676.364 22.438  249618.91  16437.54 249618.91  16437.54 0.0000     0.0000   676.364 22.438  ?       ?       0.000000       22.43811  
1 1 1 8   17  2  o 484.662 11.448  127459.00  6009.37  117276.00  8498.12  137644.00  8498.95  464.362 16.896  503.232 15.593  -38.86990      22.99194  
1 1 1 8   17  3  o 456.530 10.863  113072.10  5371.39  108095.20  7596.35  118048.80  7596.22  445.934 15.728  466.086 15.047  -20.15277      21.76658  
1 1 1 8   17  4  o 67.864  2.6790  2494.37    196.915  2919.18    277.915  2066.09    279.048  73.412  3.4952  61.615  4.2066  11.79750       5.469141  
1 1 1 8   17  5  o 327.779 5.5665  58213.05   1976.20  58943.43   2794.89  57482.80   2794.66  329.748 7.8255  325.633 7.9237  4.115326       11.13660  
1 1 1 8   17  6  o 713.740 16.676  277183.81  12891.77 260080.50  18231.79 294286.69  18231.63 689.518 24.413  733.893 22.936  -44.37457      33.49696  
1 1 1 8   17  7  o 196.699 3.7099  20958.06   790.368  21524.54   1121.14  20398.38   1114.39  199.315 5.1934  194.029 5.3027  5.286102       7.422273  
1 1 1 8   17  8  o 146.742 3.5883  11664.33   570.308  12380.79   985.648  11303.75   699.248  151.146 6.0208  144.446 4.4695  6.700424       7.498425  
1 1 1 8   17  9  o 294.760 6.0910  47092.12   1944.59  44958.50   2382.61  51348.75   3365.33  287.935 7.6399  307.564 10.102  -19.62912      12.66591  
1 1 1 8   17  10 o 317.211 7.8105  54585.22   2683.47  57218.23   3796.39  51956.07   3793.61  324.519 10.801  309.187 11.328  15.33252       15.65209  
1 1 1 8   17  11 o 290.678 7.9938  45856.00   2516.71  48770.91   3061.97  39786.41   4418.43  299.648 9.4345  269.585 15.194  30.06290       17.88496  
1 1 1 8   17  12 o 415.912 11.491  94187.80   5176.22  97064.66   6200.71  87574.61   9401.30  421.767 13.574  397.658 21.912  24.10858       25.77584  
1 1 1 8   17  13 o 250.693 4.5552  34070.36   1236.86  35089.21   1749.53  33052.32   1748.84  254.289 6.3522  246.783 6.5428  7.506119       9.119146  
1 1 1 8   17  14 o 150.444 3.2231  12264.59   525.195  12658.38   744.388  11874.27   741.098  152.796 4.4980  147.983 4.6237  4.813019       6.450639  
1 1 1 8   17  15 o 147.274 3.2211  11754.29   513.809  11362.07   722.547  12155.53   730.795  144.742 4.6089  149.716 4.5067  -4.973434      6.446121  
1 1 1 8   17  16 o 209.672 6.3551  23882.00   1443.22  23007.22   2416.09  24367.30   1799.56  204.891 10.927  211.619 7.8513  -6.727234      13.45497  
1 1 1 8   17  17 f 87.996  2.8956  4196.38    275.971  3998.06    386.470  4402.73    394.208  85.858  4.1559  90.103  4.0394  -4.244102      5.795527  
1 1 1 8   17  18 o 167.014 3.5038  15123.52   633.815  14814.15   896.984  15432.01   895.718  165.196 5.0132  168.614 4.9046  -3.418350      7.013402  
1 1 1 8   17  19 o 514.007 8.6023  144261.70  4789.12  137417.30  6771.93  151109.80  6773.73  499.384 12.520  524.086 11.933  -24.70172      17.29605  
1 1 1 8   17  20 o 89.956  2.7746  4386.67    270.333  4404.03    408.951  4373.20    360.276  90.075  4.1918  89.782  3.7049  0.2932434      5.594386  
1 1 1 8   17  21 o 24.765  6.4156  346.905    173.472  331.186    234.494  365.906    257.814  24.774  7.8173  26.012  8.1956  -1.237707      11.32594  
1 1 1 8   17  22 o 94.008  3.0073  4795.87    306.209  4752.90    426.269  4841.68    440.154  93.493  4.2095  94.354  4.3070  -0.8602753     6.022480  
1 1 1 8   17  23 o 114.467 3.0294  7116.54    375.580  7025.84    525.710  7211.08    536.763  113.571 4.2737  115.053 4.3074  -1.482170      6.067818  
1 1 1 8   17  24 o 109.685 3.0166  6541.61    358.379  6493.37    502.251  6591.64    511.525  109.064 4.2517  109.877 4.2982  -0.8125763     6.045840  
1 1 1 8   17  25 o 49.528  3.8672  1347.59    205.807  1469.57    295.865  1233.23    286.472  51.405  5.3944  46.954  5.7534  4.451168       7.886801  
1 1 1 8   17  26 o 111.344 3.1750  6761.33    382.896  6714.48    533.398  6811.15    549.977  110.582 4.4534  111.338 4.5607  -0.7559204     6.374404  
1 1 1 8   17  27 o 103.845 3.0264  5885.96    340.398  5586.94    500.678  6142.97    464.181  100.662 4.5922  105.761 4.0522  -5.098877      6.124429  
1 1 1 8   17  28 f ?       ?       -175.0022  27.108   138.968    258.756  -178.4864  27.258   19.957  7.9564  ?       ?       0.000000       7.956386  
1 1 1 8   17  29 o 24.948  1.3909  338.980    37.435   134.234    272.671  342.913    37.793   20.042  8.1053  25.092  1.3961  -5.050806      8.224667  
1 1 1 8   17  30 o 24.977  7.4827  375.627    218.346  379.094    298.075  371.613    320.745  25.485  8.8410  25.519  9.1433  -0.3411293E-01 12.71862  
1 1 1 8   17  31 o 26.599  7.8809  448.468    243.201  456.874    318.474  436.708    376.683  26.739  9.1451  26.554  9.8473  0.1857376      13.43886  
1 1 1 8   17  32 o 23.276  8.8988  338.914    312.858  -43.6663   406.024  898.027    490.840  19.153  8.7550  33.282  11.353  -14.12873      14.33703  
1 1 1 8   17  33 o 7.3193  3.0259  9.9115     39.047   576.602    492.597  6.3284     39.170   26.991  10.902  7.1605  3.0010  19.83019       11.30725  
1 1 1 8   17  34 o 26.992  2.0470  403.987    59.399   573.206    425.888  400.629    59.985   26.112  10.271  26.870  2.0773  -0.7580471     10.47926  
1 1 1 8   17  35 f 38.178  8.8765  1114.12    360.093  1264.14    468.833  898.300    562.317  37.333  10.909  28.800  11.642  8.533476       15.95476  
1 1 1 8   18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   18  1  o 646.553 21.468  227941.80  15033.83 0.0000     0.0000   227941.80  15033.83 ?       ?       646.553 21.468  0.000000       21.46818  
1 1 1 8   18  2  o 305.503 10.722  50631.31   3547.78  50631.31   3547.78  0.0000     0.0000   305.503 10.722  ?       ?       0.000000       10.72190  
1 1 1 8   18  3  f 425.446 8.5960  98133.59   3961.04  94834.60   4850.09  104741.20  6864.04  418.103 10.710  439.086 14.433  -20.98264      17.97283  
1 1 1 8   18  4  o 766.368 25.395  321292.59  21079.12 321292.59  21079.12 0.0000     0.0000   766.368 25.395  ?       ?       0.000000       25.39482  
1 1 1 8   18  5  o 183.470 3.5884  18233.17   713.086  18035.89   1008.56  18430.36   1008.35  182.455 5.1036  184.440 5.0476  -1.985321      7.178091  
1 1 1 8   18  6  o 638.963 14.959  221954.30  10352.54 204978.30  14640.66 238930.41  14640.76 612.659 22.063  661.850 20.424  -49.19055      30.06522  
1 1 1 8   18  7  o 424.998 7.0918  97908.45   3264.50  100791.70  4617.56  95027.41   4615.83  431.020 9.8911  418.491 10.183  12.52921       14.19634  
1 1 1 8   18  8  o 488.230 9.4521  129325.30  4998.32  134038.41  8656.51  126968.10  6121.96  496.185 16.108  483.526 11.690  12.65842       19.90225  
1 1 1 8   18  9  o 60.234  3.9977  1974.20    259.327  1974.20    259.327  0.0000     0.0000   60.234  3.9977  ?       ?       0.000000       3.997721  
1 1 1 8   18  10 o 130.153 4.3170  9178.74    608.558  8674.57    861.833  9680.11    859.435  126.490 6.2907  133.628 5.9380  -7.138626      8.650611  
1 1 1 8   18  11 f 365.300 10.185  72527.05   4029.94  74505.47   4847.11  68097.78   7252.54  369.977 12.096  351.887 19.101  18.08981       22.60846  
1 1 1 8   18  12 o 111.442 2.8913  6728.05    348.992  6037.37    493.275  7420.26    493.825  105.544 4.3151  117.017 3.8963  -11.47345      5.813856  
1 1 1 8   18  13 o 425.325 7.1612  98226.23   3298.98  100901.50  4666.16  95552.53   4664.77  430.538 10.006  418.911 10.281  11.62708       14.34671  
1 1 1 8   18  14 o 123.362 2.9824  8245.72    398.491  8572.81    561.084  7912.82    566.053  125.754 4.1194  120.810 4.3260  4.943947       5.973569  
1 1 1 8   18  15 o 110.540 2.8591  6621.00    342.311  6700.30    481.606  6540.04    486.633  111.170 3.9998  109.830 4.0908  1.340302       5.721286  
1 1 1 8   18  16 o 25.222  6.8775  356.853    193.054  315.907    259.023  408.024    289.563  24.785  8.2474  27.562  8.6857  -2.777155      11.97752  
1 1 1 8   18  17 o 300.239 5.2638  48934.63   1711.73  45432.89   2419.24  52445.19   2422.28  288.897 7.7315  310.498 7.2027  -21.60083      10.56671  
1 1 1 8   18  18 o 189.032 3.7693  19377.93   771.738  20281.76   1089.89  18469.09   1092.92  193.270 5.2065  184.406 5.4719  8.863937       7.553153  
1 1 1 8   18  19 o 181.898 3.6896  17945.97   726.904  17852.75   1025.22  18040.20   1030.79  181.285 5.2214  182.234 5.2224  -0.9491119     7.384893  
1 1 1 8   18  20 o 170.215 3.5729  15717.32   658.698  15926.63   892.701  15467.16   975.934  171.225 4.8136  168.676 5.3419  2.548508       7.190722  
1 1 1 8   18  21 f 117.164 3.0791  7446.24    390.746  7507.15    547.192  7382.86    558.167  117.551 4.2977  116.564 4.4211  0.9878845      6.165779  
1 1 1 8   18  22 o 109.260 3.0346  6478.95    359.112  6518.45    501.755  6437.47    514.197  109.481 4.2314  108.784 4.3641  0.6966858      6.078655  
1 1 1 8   18  23 o 38.833  4.3664  831.929    180.468  841.785    244.656  820.166    267.283  38.754  6.0243  38.095  6.7237  0.6594353      9.027743  
1 1 1 8   18  24 o 69.088  3.1892  2596.78    238.645  2253.61    336.454  2944.23    338.545  63.982  4.8921  73.308  4.2824  -9.325603      6.501705  
1 1 1 8   18  25 o 125.528 3.1302  8581.07    425.586  8601.59    603.494  8560.76    600.257  125.324 4.4460  125.030 4.4325  0.2936172      6.278067  
1 1 1 8   18  26 o 50.446  4.1274  1403.84    223.540  1477.77    301.322  1313.35    333.369  51.413  5.4963  48.108  6.5696  3.304413       8.565598  
1 1 1 8   18  27 o 88.084  2.8930  4232.40    276.002  4274.65    349.158  4162.04    450.622  88.334  3.6494  86.669  4.8195  1.665337       6.045295  
1 1 1 8   18  28 o 85.086  3.3661  3969.09    310.209  4098.52    436.902  3837.50    440.525  85.839  4.7173  82.954  4.9251  2.884750       6.819799  
1 1 1 8   18  29 o 74.827  2.8702  3065.87    232.618  3036.19    391.186  3082.10    289.331  73.528  4.9407  74.801  3.5712  -1.272781      6.096256  
1 1 1 8   18  30 o 49.426  4.8106  1383.61    254.267  1455.88    336.231  1287.09    388.602  49.927  6.3624  45.896  8.1142  4.031010       10.31117  
1 1 1 8   18  31 f 3.3585  1.6852  -78.1753   26.706   -3.8596    291.699  -78.8035   26.819   17.670  7.7961  3.3607  1.6867  14.30915       7.976422  
1 1 1 8   18  32 o 18.973  7.7927  155.157    256.780  388.236    352.534  -108.2486  374.767  24.419  9.4185  17.862  8.2539  6.557154       12.52332  
1 1 1 8   18  33 o 37.795  8.4902  1000.51    339.064  1225.36    444.911  689.009    523.676  39.747  10.264  28.495  11.332  11.25153       15.28903  
1 1 1 8   18  34 o 36.624  8.8232  999.723    345.848  897.594    451.059  1145.42    538.746  31.486  10.878  34.013  11.881  -2.526657      16.10886  
1 1 1 8   18  35 o 23.527  9.1342  435.073    333.272  428.373    428.331  445.351    530.539  23.309  9.8543  23.605  10.459  -0.2968292     14.37030  
1 1 1 8   19  0  o 288.333 5.9290  45046.02   1851.61  45731.71   2265.33  43665.82   3213.96  290.484 7.2001  283.725 10.459  6.758087       12.69736  
1 1 1 8   19  1  o 508.055 11.974  140084.59  6588.78  130531.90  9317.50  149639.20  9318.40  489.824 17.563  524.604 16.400  -34.78030      24.02916  
1 1 1 8   19  2  o 430.270 10.251  100418.00  4777.20  104738.50  6756.71  96099.41   6755.26  439.108 14.207  420.552 14.830  18.55637       20.53705  
1 1 1 8   19  3  o 593.644 13.925  191421.30  8953.59  193468.30  12662.81 189374.59  12661.78 595.934 19.618  589.558 19.829  6.376160       27.89377  
1 1 1 8   19  4  o 474.792 10.803  122308.10  5555.25  115951.10  7851.36  128681.10  7861.27  461.813 15.697  486.596 14.916  -24.78296      21.65355  
1 1 1 8   19  5  o 279.887 5.3209  42443.49   1613.02  40515.48   2473.26  43870.54   2127.82  273.362 8.3533  284.508 6.9051  -11.14560      10.83784  
1 1 1 8   19  6  o 396.487 6.7842  85201.87   2913.37  78392.94   4120.44  92008.70   4119.80  380.134 10.008  411.879 9.2350  -31.74472      13.61765  
1 1 1 8   19  7  o 255.486 5.3434  35367.84   1478.60  34699.36   2558.29  35703.14   1811.87  252.919 9.3389  256.660 6.5178  -3.740936      11.38847  
1 1 1 8   19  8  o 148.971 6.3637  12028.58   1026.79  12028.58   1026.79  0.0000     0.0000   148.971 6.3637  ?       ?       0.000000       6.363693  
1 1 1 8   19  9  f 175.909 7.1859  16779.21   1369.11  16779.21   1369.11  0.0000     0.0000   175.909 7.1859  ?       ?       0.000000       7.185914  
1 1 1 8   19  10 o 32.871  5.8894  603.567    201.975  649.338    286.839  558.555    284.447  33.917  7.9471  31.510  8.2408  2.406744       11.44847  
1 1 1 8   19  11 o 234.225 4.5449  29732.23   1153.01  30533.70   1530.68  28680.98   1753.05  237.298 5.9555  229.928 7.0393  7.369919       9.220649  
1 1 1 8   19  12 o 175.168 3.5310  16625.97   669.922  16136.24   947.420  17115.68   947.406  172.519 5.0703  177.683 4.9229  -5.164368      7.067027  
1 1 1 8   19  13 o 141.343 3.1448  10824.68   481.430  10173.71   681.732  11472.28   679.960  136.986 4.5948  145.476 4.3154  -8.489548      6.303559  
1 1 1 8   19  14 o 252.582 4.5882  34593.67   1255.20  34631.74   1774.99  34555.59   1775.27  252.560 6.4887  252.281 6.4969  0.2786560      9.182265  
1 1 1 8   19  15 o 162.812 3.5865  14368.24   632.443  14323.07   852.745  14423.47   942.846  162.495 4.8452  163.035 5.3394  -0.5398102     7.210025  
1 1 1 8   19  16 o 361.110 7.1710  70904.85   2804.70  69318.40   3434.38  74081.48   4859.78  356.661 8.8904  367.707 12.202  -11.04547      15.09762  
1 1 1 8   19  17 o 506.053 9.0772  139686.70  4975.30  131702.41  7716.49  145367.50  6508.91  488.618 14.581  515.038 11.668  -26.41946      18.67463  
1 1 1 8   19  18 o 258.088 4.9749  36160.06   1390.67  35998.00   2125.24  36281.42   1839.05  257.089 7.6323  258.288 6.5738  -1.199432      10.07310  
1 1 1 8   19  19 o 276.869 4.9625  41631.67   1488.13  41193.59   2104.66  42069.64   2104.41  275.007 7.0659  277.933 6.9907  -2.925781      9.939658  
1 1 1 8   19  20 o 89.485  2.7800  4341.14    269.438  4301.30    407.323  4372.12    359.270  89.012  4.2250  89.767  3.6952  -0.7557220     5.612879  
1 1 1 8   19  21 o 34.895  4.9469  675.294    181.731  722.657    246.255  618.652    269.302  35.839  6.5866  32.977  7.6825  2.862446       10.11946  
1 1 1 8   19  22 o 55.478  3.5208  1678.52    210.465  1564.31    287.794  1809.83    308.578  53.347  5.0405  57.420  5.0120  -4.072128      7.108217  
1 1 1 8   19  23 o 27.927  5.7472  442.418    168.044  204.309    226.422  734.411    250.735  21.112  7.6663  36.003  6.6757  -14.89151      10.16550  
1 1 1 8   19  24 o 97.732  2.9796  5193.83    315.402  4828.17    439.285  5582.91    453.130  94.019  4.3138  101.135 4.1367  -7.116386      5.976715  
1 1 1 8   19  25 o 105.463 3.1846  6058.64    363.769  5452.93    509.027  6690.85    520.043  99.708  4.7135  110.553 4.3431  -10.84502      6.409293  
1 1 1 8   19  26 o 17.370  6.7911  107.096    185.213  -7.3768    243.559  264.062    285.205  16.963  7.3078  23.457  8.5909  -6.494160      11.27868  
1 1 1 8   19  27 o 94.348  3.2322  4864.96    330.294  4775.81    456.311  4963.08    478.707  93.073  4.5265  94.830  4.6607  -1.756790      6.497058  
1 1 1 8   19  28 o 29.422  6.6185  509.183    205.803  803.076    274.920  134.538    310.400  36.945  7.1286  21.106  8.6065  15.83852       11.17540  
1 1 1 8   19  29 o 80.011  3.5067  3524.94    303.890  3239.93    395.499  3935.74    474.825  76.011  4.8290  83.534  5.2752  -7.522713      7.151721  
1 1 1 8   19  30 o 65.814  2.6195  2372.12    186.728  2165.67    364.082  2445.81    217.514  61.508  5.5239  66.710  3.0104  -5.201511      6.290988  
1 1 1 8   19  31 f 31.810  6.8513  625.592    229.080  575.952    310.868  684.581    338.877  29.479  8.9503  31.894  9.2619  -2.414467      12.87986  
1 1 1 8   19  32 o 21.868  7.9853  296.201    246.148  34.835     321.955  663.916    381.879  18.374  8.1442  29.843  10.015  -11.46895      12.90858  
1 1 1 8   19  33 o 29.118  9.1968  631.872    324.504  883.607    423.685  274.646    504.712  32.994  10.518  23.233  10.252  9.761066       14.68816  
1 1 1 8   19  34 o 36.622  8.8288  1001.48    346.110  1077.88    452.090  893.302    537.986  34.972  10.826  29.926  11.609  5.045744       15.87356  
1 1 1 8   19  35 o 32.067  9.2930  831.067    341.469  1021.75    443.221  552.596    535.614  33.251  10.775  24.758  10.751  8.492746       15.22096  
1 1 1 8   20  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   20  1  o 701.433 23.256  268616.31  17668.19 0.0000     0.0000   268616.31  17668.19 ?       ?       701.433 23.256  0.000000       23.25603  
1 1 1 8   20  2  o 162.150 4.7457  14243.76   833.461  13415.64   1179.05  15070.88   1178.34  157.336 6.9189  166.766 6.5237  -9.430664      9.509403  
1 1 1 8   20  3  o 607.043 14.240  200195.59  9362.38  191233.30  13240.46 209157.80  13240.36 592.269 20.640  619.581 19.730  -27.31238      28.55343  
1 1 1 8   20  4  o 250.288 5.1849  33939.82   1405.56  32193.67   2438.84  34808.25   1719.92  243.649 9.2416  253.445 6.2655  -9.795288      11.16529  
1 1 1 8   20  5  o 916.280 30.406  461753.91  30175.29 461753.91  30175.29 0.0000     0.0000   916.280 30.406  ?       ?       0.000000       30.40558  
1 1 1 8   20  6  o 375.608 6.1793  76455.04   2513.86  80492.18   3556.36  72423.43   3553.93  385.278 8.5224  365.431 8.9791  19.84665       12.37963  
1 1 1 8   20  7  o 546.752 12.852  162409.70  7610.68  161569.30  10759.76 163251.09  10766.49 544.453 18.246  547.295 18.163  -2.842285      25.74511  
1 1 1 8   20  8  o 427.193 14.492  99282.45   6705.18  99282.45   6705.18  0.0000     0.0000   427.193 14.492  ?       ?       0.000000       14.49161  
1 1 1 8   20  9  o 570.007 13.457  176780.09  8307.96  165835.91  11749.68 187722.70  11748.79 550.613 19.702  586.165 18.506  -35.55255      27.03006  
1 1 1 8   20  10 f 418.405 8.2033  95003.12   3717.56  97159.40   6443.94  93927.45   4551.32  422.271 14.089  415.806 10.106  6.465515       17.33894  
1 1 1 8   20  11 o 208.930 4.1821  23655.08   946.370  23633.12   1261.95  23683.30   1430.59  208.780 5.5806  208.968 6.3207  -0.1873779     8.431787  
1 1 1 8   20  12 o 318.365 5.5251  54965.52   1905.19  54634.99   2694.61  55295.91   2694.10  317.184 7.8436  319.103 7.7949  -1.918213      11.05815  
1 1 1 8   20  13 o 159.924 3.3248  13858.82   575.904  13982.72   816.960  13736.43   811.966  160.590 4.6969  159.169 4.7099  1.421127       6.651624  
1 1 1 8   20  14 o 266.315 4.7580  38462.14   1372.43  39537.64   1941.85  37388.75   1939.96  269.834 6.6443  262.379 6.8264  7.454926       9.526093  
1 1 1 8   20  15 o 82.348  2.5538  3674.07    227.776  3702.68    343.405  3651.59    304.365  82.644  3.8364  82.081  3.4236  0.5633011      5.141911  
1 1 1 8   20  16 o 189.973 4.3123  19573.32   887.293  18906.60   1085.23  20917.75   1541.05  186.633 5.3686  196.124 7.2546  -9.490479      9.025059  
1 1 1 8   20  17 o 314.293 5.4975  53637.57   1871.43  51932.44   2645.11  55346.53   2648.09  308.817 7.9081  318.859 7.6677  -10.04193      11.01505  
1 1 1 8   20  18 o 202.277 3.9088  22191.91   856.365  21563.54   1208.05  22826.63   1214.14  199.234 5.5982  205.001 5.4682  -5.766724      7.825668  
1 1 1 8   20  19 o 189.142 3.7651  19406.25   771.323  19860.67   1088.46  18947.87   1093.19  191.193 5.2562  186.730 5.4052  4.462738       7.539438  
1 1 1 8   20  20 o 175.726 3.7160  16755.52   707.261  17134.75   951.707  16287.74   1056.99  177.570 4.9484  173.036 5.6398  4.533661       7.502951  
1 1 1 8   20  21 o 120.006 3.0938  7812.75    402.134  7740.87    563.233  7887.49    574.334  119.351 4.3570  120.472 4.4016  -1.120728      6.193356  
1 1 1 8   20  22 o 189.831 3.7840  19585.63   778.018  19465.54   1097.08  19707.12   1103.52  188.907 5.3619  190.076 5.3602  -1.169052      7.581668  
1 1 1 8   20  23 o 110.691 2.9584  6655.62    354.688  6284.34    503.506  7021.34    499.724  107.373 4.3295  113.539 4.0637  -6.165474      5.937839  
1 1 1 8   20  24 o 78.155  2.6385  3318.75    223.349  3030.04    354.578  3508.65    287.571  74.330  4.4243  80.285  3.3070  -5.954659      5.523667  
1 1 1 8   20  25 o 83.029  3.2180  3755.91    289.392  3646.06    396.808  3880.72    422.966  81.448  4.5158  83.994  4.6677  -2.545967      6.494565  
1 1 1 8   20  26 o 29.079  5.9125  485.730    179.877  728.672    258.207  256.658    250.727  35.489  6.9662  22.650  8.0872  12.83903       10.67388  
1 1 1 8   20  27 o 46.997  4.5141  1228.32    226.954  1205.17    311.947  1254.36    330.806  45.937  6.4472  46.779  6.7222  -0.8422623     9.314208  
1 1 1 8   20  28 o 45.658  2.0944  1134.54    103.572  1087.94    302.643  1140.72    110.228  43.327  6.6625  45.768  2.2236  -2.441078      7.023769  
1 1 1 8   20  29 o 74.476  3.5155  3055.02    283.576  2703.86    361.987  3612.90    456.253  69.392  4.8468  79.991  5.2962  -10.59913      7.179164  
1 1 1 8   20  30 o 33.824  1.7307  624.257    63.190   680.951    88.208   564.492    90.567   35.227  2.3250  31.996  2.6369  3.231054       3.515493  
1 1 1 8   20  31 o 35.077  6.5583  751.523    240.002  638.484    315.649  906.429    369.508  30.930  8.9264  36.660  9.2934  -5.729340      12.88601  
1 1 1 8   20  32 o 19.412  7.4156  206.704    217.148  116.512    301.364  304.097    313.164  19.138  8.1843  22.566  8.8284  -3.428205      12.03841  
1 1 1 8   20  33 o 32.238  1.3816  566.870    48.242   489.905    414.140  567.928    48.573   25.640  10.115  32.267  1.3898  -6.627638      10.20993  
1 1 1 8   20  34 o 37.961  2.6120  807.583    106.740  1301.58    450.091  778.145    109.874  39.680  10.361  37.194  2.7469  2.486240       10.71871  
1 1 1 8   20  35 o 4.4897  2.2281  -96.9131   41.392   -394.5589  392.748  -93.5700   41.624   15.038  7.3423  4.5638  2.2595  10.47384       7.682127  
1 1 1 8   21  0  o 558.859 13.137  169579.09  7951.61  163749.80  11244.99 175409.00  11245.57 548.404 18.932  567.693 18.289  -19.28955      26.32313  
1 1 1 8   21  1  o 603.852 20.091  198683.41  13139.91 0.0000     0.0000   198683.41  13139.91 ?       ?       603.852 20.091  0.000000       20.09053  
1 1 1 8   21  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   21  3  o 321.077 7.9116  55884.43   2751.33  55402.09   3891.58  56366.47   3890.36  319.527 11.245  322.302 11.144  -2.774780      15.83167  
1 1 1 8   21  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   21  5  o 591.541 13.908  190130.20  8911.01  177327.91  12602.28 202931.70  12601.86 570.191 20.406  610.243 19.066  -40.05194      27.92709  
1 1 1 8   21  6  o 871.661 28.946  417791.41  27327.66 0.0000     0.0000   417791.41  27327.66 ?       ?       871.661 28.946  0.000000       28.94573  
1 1 1 8   21  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   21  8  o 348.422 12.050  65960.19   4547.47  65960.19   4547.47  0.0000     0.0000   348.422 12.050  ?       ?       0.000000       12.05019  
1 1 1 8   21  9  o 512.725 9.9649  142749.80  5533.86  138651.70  9589.29  144796.00  6776.02  503.890 17.570  516.055 12.123  -12.16531      21.34674  
1 1 1 8   21  10 o 357.497 6.1372  69296.30   2376.37  72470.89   3361.91  66126.31   3359.47  365.392 8.4949  348.993 8.8876  16.39890       12.29440  
1 1 1 8   21  11 o 126.951 2.9552  8730.97    406.349  9256.59    575.756  8209.32    573.580  130.697 4.0673  123.077 4.3027  7.619942       5.920825  
1 1 1 8   21  12 o 193.651 3.9226  20323.18   822.749  21112.44   1102.60  19331.64   1235.85  197.324 5.1591  188.775 6.0444  8.548950       7.946723  
1 1 1 8   21  13 o 309.741 5.4556  52041.46   1830.25  51638.86   2589.14  52443.57   2587.58  308.284 7.7542  310.685 7.6896  -2.401245      10.92049  
1 1 1 8   21  14 o 401.124 6.8064  87388.78   2957.11  86594.09   4182.40  88183.17   4181.58  398.706 9.6851  402.369 9.5950  -3.663422      13.63323  
1 1 1 8   21  15 o 244.916 4.8026  32538.37   1274.00  32373.87   1687.22  32756.57   1943.17  244.141 6.3806  245.468 7.3088  -1.326859      9.702069  
1 1 1 8   21  16 o 301.812 6.1438  49480.21   2008.39  48838.66   2458.89  50766.04   3481.09  299.613 7.5772  304.812 10.544  -5.198853      12.98439  
1 1 1 8   21  17 o 225.223 4.8791  27528.84   1190.22  28102.65   2057.86  27240.40   1459.01  227.091 8.3665  223.916 6.0159  3.174744       10.30486  
1 1 1 8   21  18 o 156.299 3.3463  13244.70   566.493  12111.81   799.148  14388.96   803.151  149.366 4.9398  162.832 4.5539  -13.46678      6.718596  
1 1 1 8   21  19 o 170.497 3.5301  15765.86   651.886  15712.72   918.195  15819.85   925.662  170.085 4.9842  170.661 5.0078  -0.5764465     7.065464  
1 1 1 8   21  20 o 52.477  2.2104  1492.42    125.636  1290.54    277.210  1544.61    140.943  48.421  5.3765  53.383  2.4376  -4.962250      5.903320  
1 1 1 8   21  21 o 141.293 3.2190  10832.42   492.616  9494.29    691.126  12214.32   702.339  132.119 4.8297  149.919 4.3253  -17.79959      6.483425  
1 1 1 8   21  22 o 127.795 3.1286  8866.94    433.054  8804.20    607.372  8931.81    617.618  127.183 4.4091  128.096 4.4516  -0.9121246     6.265558  
1 1 1 8   21  23 o 29.095  0.8744  458.562    27.556   -43.9869   215.304  466.931    27.785   15.467  6.7645  29.359  0.8738  -13.89261      6.820713  
1 1 1 8   21  24 o 160.750 3.4221  14072.65   595.819  14251.57   807.385  13858.71   882.900  161.398 4.6186  158.971 5.1277  2.427460       6.901097  
1 1 1 8   21  25 o 114.400 3.0796  7127.34    381.587  7102.47    544.981  7151.27    534.463  113.864 4.4190  114.284 4.3178  -0.4201202     6.178282  
1 1 1 8   21  26 o 38.761  4.8934  840.589    200.857  838.454    263.051  843.574    311.055  38.238  6.5894  37.978  7.8224  0.2599373      10.22792  
1 1 1 8   21  27 o 36.792  5.1293  763.839    198.838  847.201    255.627  636.136    316.391  38.397  6.3699  32.580  8.7714  5.817135       10.84040  
1 1 1 8   21  28 o 37.422  5.0549  793.194    199.643  630.625    256.884  1041.15    317.250  32.523  7.4522  42.125  7.2128  -9.601307      10.37107  
1 1 1 8   21  29 o 75.496  3.3522  3135.00    274.108  2954.63    342.595  3455.86    456.941  72.783  4.3661  78.128  5.4337  -5.344101      6.970484  
1 1 1 8   21  30 o 36.986  6.2115  806.448    240.010  729.262    305.614  930.666    387.698  34.121  8.3399  37.988  9.4590  -3.866959      12.61060  
1 1 1 8   21  31 o 51.760  4.9612  1549.50    274.726  1469.87    364.508  1654.23    418.006  48.857  7.0958  51.288  7.7681  -2.431095      10.52111  
1 1 1 8   21  32 o 43.664  5.2824  1135.88    244.736  1099.06    329.155  1181.41    365.984  40.980  7.6984  41.885  8.3602  -0.9050102     11.36483  
1 1 1 8   21  33 o 39.627  8.1485  1081.31    338.054  1099.56    440.661  1055.20    527.005  37.023  10.503  34.151  11.761  2.871571       15.76823  
1 1 1 8   21  34 o 29.986  9.3016  714.166    333.547  1128.02    433.630  114.504    521.972  36.506  10.441  20.964  9.7062  15.54152       14.25569  
1 1 1 8   21  35 o 23.553  8.9484  430.406    315.120  487.671    401.254  338.251    509.024  24.263  9.8255  22.521  10.094  1.742735       14.08656  
1 1 1 8   22  0  o 422.512 8.1189  96773.23   3715.39  95123.31   4547.84  100084.20  6442.50  418.784 10.026  429.266 13.857  -10.48181      17.10368  
1 1 1 8   22  1  o 482.843 11.448  126511.80  5986.98  124246.40  8466.90  128777.10  8466.82  477.999 16.354  486.671 16.063  -8.672668      22.92299  
1 1 1 8   22  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   22  3  o 583.768 13.714  185113.00  8671.06  175371.80  12262.76 194854.20  12262.71 567.242 19.960  598.112 18.929  -30.87061      27.50816  
1 1 1 8   22  4  o 357.743 8.6612  69394.59   3355.98  72476.43   4747.63  66316.81   4744.51  365.391 11.996  349.481 12.534  15.90997       17.34992  
1 1 1 8   22  5  o 512.585 17.176  143026.91  9535.56  0.0000     0.0000   143026.91  9535.56  ?       ?       512.585 17.176  0.000000       17.17552  
1 1 1 8   22  6  o 590.029 19.673  189904.09  12572.48 0.0000     0.0000   189904.09  12572.48 ?       ?       590.029 19.673  0.000000       19.67332  
1 1 1 8   22  7  o 326.140 11.372  57756.98   4017.23  57756.98   4017.23  0.0000     0.0000   326.140 11.372  ?       ?       0.000000       11.37240  
1 1 1 8   22  8  o 254.075 6.4808  34994.28   1783.45  37015.23   2524.88  32981.95   2519.49  261.192 8.9250  246.524 9.4359  14.66786       12.98817  
1 1 1 8   22  9  o 253.011 4.6330  34688.35   1269.62  34035.16   1796.64  35339.89   1794.38  250.539 6.6209  255.302 6.4892  -4.763245      9.270686  
1 1 1 8   22  10 o 417.220 7.0501  94425.63   3185.86  95860.16   4506.17  92991.95   4504.82  420.039 9.9048  413.686 10.054  6.352112       14.11339  
1 1 1 8   22  11 o 374.306 6.4418  76000.76   2611.58  73850.45   3693.55  78150.55   3693.11  368.648 9.2504  379.264 8.9904  -10.61682      12.89953  
1 1 1 8   22  12 o 137.865 3.1644  10298.08   472.520  10720.81   651.807  9829.83    685.992  140.638 4.2791  134.654 4.7036  5.983154       6.358766  
1 1 1 8   22  13 o 131.210 3.0635  9328.30    435.360  9413.76    617.330  9243.75    614.068  131.775 4.3253  130.579 4.3418  1.195862       6.128572  
1 1 1 8   22  14 o 251.796 4.5722  34381.22   1246.93  35300.99   1764.22  33463.11   1762.63  254.980 6.3882  248.236 6.5558  6.743469       9.153527  
1 1 1 8   22  15 o 160.363 3.4423  13938.83   597.902  15022.97   813.652  12666.21   881.546  166.432 4.5137  152.776 5.3275  13.65570       6.982504  
1 1 1 8   22  16 o 180.376 4.1748  17644.60   815.609  17549.81   997.255  17836.07   1417.40  179.826 5.1202  181.096 7.2263  -1.269363      8.856371  
1 1 1 8   22  17 o 199.928 4.4633  21685.39   966.487  19873.50   1668.26  22600.75   1185.75  191.006 8.0639  204.022 5.3659  -13.01666      9.686069  
1 1 1 8   22  18 o 191.602 3.7775  19910.32   783.934  19749.41   1105.20  20073.26   1112.13  190.686 5.3512  192.245 5.3411  -1.558075      7.560613  
1 1 1 8   22  19 o 95.818  2.9796  4977.33    309.228  5435.49    434.086  4505.28    440.616  100.088 4.0043  91.100  4.4655  8.987297       5.997912  
1 1 1 8   22  20 o 77.018  3.0757  3216.88    256.573  3220.09    355.193  3213.38    371.023  76.888  4.2822  76.786  4.4806  0.1013947      6.197807  
1 1 1 8   22  21 o 215.492 4.0988  25229.71   956.672  24299.15   1349.92  26168.63   1355.98  211.113 5.9037  219.131 5.7132  -8.017273      8.215467  
1 1 1 8   22  22 o 96.769  2.8270  5082.12    296.304  5191.62    435.213  4987.50    404.540  97.689  4.1132  95.772  3.8999  1.917801       5.668160  
1 1 1 8   22  23 o 43.085  3.7294  1017.94    172.320  995.580    250.419  1038.05    237.488  42.274  5.6076  43.268  5.1700  -0.9947624     7.627199  
1 1 1 8   22  24 o 31.213  5.4177  549.939    176.511  481.404    246.807  621.695    252.540  28.893  7.7338  32.842  7.2898  -3.949520      10.62787  
1 1 1 8   22  25 o 23.616  1.5279  303.716    38.872   253.623    223.134  305.284    39.476   22.174  7.6517  23.675  1.5480  -1.501539      7.806747  
1 1 1 8   22  26 o 3.4375  1.7237  -80.5583   27.705   -79.7362   27.786   -221.6407  364.007  3.4597  1.7336  17.979  8.2445  -14.51885      8.424774  
1 1 1 8   22  27 o 31.245  5.8849  561.885    191.846  420.053    244.459  789.290    309.542  26.794  7.8912  36.458  8.0537  -9.664671      11.27535  
1 1 1 8   22  28 o 12.013  5.5780  -140.9742  174.231  -128.1641  217.333  -164.0153  291.475  13.984  6.3971  16.152  7.3960  -2.167995      9.778757  
1 1 1 8   22  29 o 15.377  6.5716  14.787     194.072  39.044     228.886  -47.2594   366.063  16.999  7.1960  19.580  8.6813  -2.581345      11.27595  
1 1 1 8   22  30 o 29.635  7.2770  537.873    231.862  380.233    292.374  805.023    380.612  25.319  8.7576  35.129  9.6891  -9.809605      13.06039  
1 1 1 8   22  31 o 16.984  7.1829  66.937     227.700  -88.9948   286.296  335.366    375.632  16.268  7.4032  24.349  9.6244  -8.081236      12.14239  
1 1 1 8   22  32 o 50.887  4.7568  1514.56    259.135  1760.50    344.320  1193.29    393.534  53.747  6.0180  41.361  9.0373  12.38676       10.85764  
1 1 1 8   22  33 o 26.070  9.3451  506.919    335.099  528.477    411.820  464.675    576.481  26.189  10.158  25.487  11.110  0.7022285      15.05358  
1 1 1 8   22  34 o 46.850  7.2134  1478.72    354.283  1483.18    454.281  1471.80    566.008  43.213  9.9162  38.732  12.134  4.480877       15.67030  
1 1 1 8   23  0  o 444.028 8.4386  106891.00  4058.37  106891.00  4058.37  0.0000     0.0000   444.028 8.4386  ?       ?       0.000000       8.438614  
1 1 1 8   23  1  o 139.991 4.3473  10616.21   659.156  12444.10   934.036  8802.71    930.351  151.548 5.6904  127.268 6.7737  24.28083       8.846661  
1 1 1 8   23  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   23  3  o 311.460 7.6349  52584.83   2575.58  55950.32   3644.81  49228.19   3640.02  321.137 10.479  301.192 11.158  19.94479       15.30717  
1 1 1 8   23  4  o 690.393 16.152  259274.41  12078.21 254056.20  17081.72 264491.91  17080.61 681.827 23.131  695.815 22.664  -13.98804      32.38347  
1 1 1 8   23  5  o 288.658 10.241  45209.11   3201.81  0.0000     0.0000   45209.11   3201.81  ?       ?       288.658 10.241  0.000000       10.24098  
1 1 1 8   23  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   23  7  o 704.729 23.448  272125.59  17897.97 272125.59  17897.97 0.0000     0.0000   704.729 23.448  ?       ?       0.000000       23.44831  
1 1 1 8   23  8  o 114.722 2.8561  7128.87    354.888  7204.17    505.675  7055.78    498.183  115.314 4.0487  114.121 4.0305  1.193588       5.712862  
1 1 1 8   23  9  o 248.829 4.4784  33550.53   1206.96  34333.58   1708.67  32770.70   1705.14  251.645 6.2690  245.845 6.4037  5.800354       8.961444  
1 1 1 8   23  10 o 215.087 4.0889  25067.95   952.545  24436.38   1348.18  25697.50   1346.03  212.295 5.8632  217.711 5.7083  -5.415955      8.183024  
1 1 1 8   23  11 f 237.293 4.3681  30517.93   1122.66  31231.33   1588.42  29805.85   1586.94  239.959 6.1116  234.410 6.2505  5.548538       8.741899  
1 1 1 8   23  12 o 164.082 3.3387  14588.35   593.347  15164.97   841.587  14018.45   836.673  167.250 4.6458  160.798 4.8040  6.452621       6.682993  
1 1 1 8   23  13 o 376.106 6.4311  76787.33   2619.80  76690.58   3705.63  76884.02   3704.30  375.422 9.1132  375.898 9.0984  -0.4760742     12.87756  
1 1 1 8   23  14 o 185.055 3.6425  18561.86   730.077  19123.72   1033.97  18003.21   1031.01  187.758 5.0844  182.165 5.2255  5.592300       7.290871  
1 1 1 8   23  15 o 77.741  2.7690  3274.86    233.152  3251.26    337.029  3296.52    322.881  77.331  4.0379  77.978  3.8230  -0.6471405     5.560523  
1 1 1 8   23  16 o 307.337 6.2087  51315.17   2066.75  49226.76   2530.05  55503.81   3583.08  300.750 7.7670  318.732 10.379  -17.98206      12.96350  
1 1 1 8   23  17 o 278.221 5.7425  42045.79   1730.45  40715.73   2994.64  42712.54   2120.28  272.922 10.131  280.216 6.9860  -7.294312      12.30583  
1 1 1 8   23  18 o 203.274 3.9297  22413.18   865.188  22301.33   1222.42  22525.44   1224.70  202.601 5.5707  203.618 5.5532  -1.017502      7.865801  
1 1 1 8   23  19 o 108.215 2.9888  6348.69    350.306  6283.77    486.938  6418.32    504.336  107.604 4.1781  108.744 4.2820  -1.140106      5.982591  
1 1 1 8   23  20 o 161.270 3.4302  14109.75   599.167  13864.32   846.118  14356.60   848.586  159.714 4.8912  162.534 4.8204  -2.819183      6.867331  
1 1 1 8   23  21 o 231.109 4.3142  29032.75   1079.90  28407.07   1524.68  29662.59   1529.75  228.163 6.1697  233.183 6.0570  -5.019501      8.645906  
1 1 1 8   23  22 o 119.008 3.0061  7689.19    387.479  7715.93    542.682  7661.37    553.432  119.072 4.2079  118.636 4.3070  0.4355621      6.021374  
1 1 1 8   23  23 o 87.733  2.6818  4179.82    254.839  3900.29    384.530  4398.74    340.303  84.581  4.1975  89.915  3.4943  -5.334518      5.461614  
1 1 1 8   23  24 o 56.133  3.4412  1722.87    208.209  1725.16    289.454  1720.42    299.718  55.915  4.8268  55.796  5.0130  0.1182327      6.959032  
1 1 1 8   23  25 f 53.042  3.9200  1546.22    223.608  1185.72    301.697  1985.63    333.087  45.856  6.2362  59.843  5.1903  -13.98708      8.113544  
1 1 1 8   23  26 o 71.737  2.6220  2801.67    203.727  2538.35    357.003  2928.82    248.088  67.674  4.9039  73.266  3.1263  -5.592560      5.815634  
1 1 1 8   23  27 o 104.841 3.1478  6008.14    357.447  5852.45    490.577  6184.35    521.886  103.022 4.3965  105.835 4.5528  -2.812523      6.329055  
1 1 1 8   23  28 o 56.705  3.8027  1778.24    232.202  1792.21    305.824  1759.23    356.805  56.488  5.0519  55.547  6.0273  0.9404755      7.864485  
1 1 1 8   23  29 o 73.617  2.7397  2966.08    218.451  2810.59    357.803  3058.48    275.826  70.806  4.6922  74.538  3.4165  -3.731964      5.804229  
1 1 1 8   23  30 o ?       ?       -332.8820  42.123   3.8901     272.557  -341.1225  42.635   17.530  7.6403  ?       ?       0.000000       7.640304  
1 1 1 8   23  31 o 47.843  1.7374  1249.32    90.032   1244.03    326.908  1249.76    93.654   44.862  6.9528  47.836  1.8076  -2.973637      7.183906  
1 1 1 8   23  32 f 35.079  1.1905  669.451    45.232   -221.3640  293.165  691.173    45.780   14.703  6.9552  35.644  1.1858  -20.94104      7.055613  
1 1 1 8   23  33 o 42.260  2.0982  983.648    96.038   717.763    475.135  994.974    98.062   28.929  10.989  42.438  2.1403  -13.50886      11.19518  
1 1 1 8   23  34 o 5.7593  2.6202  -20.2270   35.829   282.824    436.191  -22.2856   35.951   21.852  9.5909  5.6993  2.6052  16.15271       9.938397  
1 1 1 8   24  0  o 154.828 3.2457  12984.10   544.284  12859.66   626.487  13367.17   1099.15  154.080 3.7540  157.057 6.4615  -2.976700      7.472824  
1 1 1 8   24  1  o 773.855 18.037  325994.50  15117.76 312489.19  21379.67 339500.00  21379.80 755.514 26.127  787.831 25.055  -32.31720      36.19928  
1 1 1 8   24  2  o 695.878 16.226  263367.00  12229.86 270042.69  17296.54 256692.80  17294.72 703.206 22.709  685.455 23.295  17.75116       32.53274  
1 1 1 8   24  3  o 386.247 9.3473  80910.55   3910.39  77685.55   5531.20  84133.04   5529.05  378.172 13.504  393.598 12.970  -15.42676      18.72343  
1 1 1 8   24  4  o 130.283 6.1180  9198.19    863.318  0.0000     0.0000   9198.19    863.318  ?       ?       130.283 6.1180  0.000000       6.118027  
1 1 1 8   24  5  o 737.860 24.499  298112.41  19579.39 0.0000     0.0000   298112.41  19579.39 ?       ?       737.860 24.499  0.000000       24.49937  
1 1 1 8   24  6  o 631.557 21.034  217913.20  14388.04 217913.20  14388.04 0.0000     0.0000   631.557 21.034  ?       ?       0.000000       21.03385  
1 1 1 8   24  7  o 182.801 4.3452  18104.28   860.325  18557.42   1790.41  17968.23   981.003  184.948 8.9379  182.101 4.9738  2.847168       10.22858  
1 1 1 8   24  8  o 203.212 3.7690  22371.90   829.561  23138.24   1175.21  21610.83   1171.16  206.627 5.2512  199.686 5.4150  6.940979       7.542988  
1 1 1 8   24  9  o 245.061 4.4757  32542.72   1187.96  32494.00   1681.22  32591.30   1678.85  244.801 6.3407  245.168 6.3223  -0.3670959     8.954159  
1 1 1 8   24  10 o 45.163  2.9104  1109.52    141.606  1453.35    212.130  833.143    190.185  51.649  3.8191  38.938  4.5983  12.71168       5.977435  
1 1 1 8   24  11 o 508.821 8.4723  140644.91  4669.15  139088.50  6603.58  142200.80  6602.77  505.189 12.069  510.846 11.933  -5.656677      16.97224  
1 1 1 8   24  12 o 159.587 3.2917  13799.96   568.967  14431.22   807.870  13178.69   801.451  163.154 4.5717  155.906 4.7462  7.247559       6.589846  
1 1 1 8   24  13 o 198.775 3.7823  21415.38   814.300  22286.83   1154.62  20553.01   1148.59  202.699 5.2592  194.644 5.4482  8.055740       7.572446  
1 1 1 8   24  14 f 229.153 4.1869  28471.00   1039.17  29318.97   1472.39  27629.40   1466.85  232.410 5.8492  225.600 6.0031  6.809753       8.381581  
1 1 1 8   24  15 o 60.847  2.8492  2006.25    187.771  1855.89    272.160  2142.83    259.396  58.338  4.3383  62.751  3.8349  -4.413021      5.790284  
1 1 1 8   24  16 o 202.479 4.5200  22240.25   991.268  22020.21   1213.26  22682.07   1719.18  201.387 5.5622  204.141 7.7754  -2.754013      9.560061  
1 1 1 8   24  17 o 221.445 5.2210  26623.09   1252.23  24685.04   1990.96  27891.57   1610.72  212.770 8.6394  226.494 6.5659  -13.72385      10.85124  
1 1 1 8   24  18 o 89.360  2.7134  4327.79    262.620  4511.41    389.132  4174.20    355.891  91.196  3.9396  87.729  3.7455  3.467491       5.435875  
1 1 1 8   24  19 o 205.325 3.9221  22874.64   872.236  21253.77   1230.20  24513.19   1236.89  197.701 5.7451  212.374 5.3772  -14.67273      7.868950  
1 1 1 8   24  20 o 47.701  3.6458  1241.96    186.933  1271.36    244.908  1200.93    289.339  48.135  4.7600  46.605  5.8616  1.529427       7.550857  
1 1 1 8   24  21 f 201.605 3.9091  22080.73   853.585  20884.55   1203.54  23291.38   1210.80  195.726 5.6773  206.760 5.4067  -11.03444      7.839922  
1 1 1 8   24  22 o 60.959  3.2359  2024.06    212.885  1952.02    286.643  2112.69    317.909  59.703  4.4651  62.079  4.7645  -2.375710      6.529757  
1 1 1 8   24  23 o 103.100 2.9678  5776.53    331.407  5492.22    459.045  6086.02    478.948  100.353 4.2233  105.646 4.1857  -5.292259      5.946126  
1 1 1 8   24  24 o 43.200  4.1843  1028.99    193.327  1051.04    277.386  1008.16    269.593  43.246  6.0908  42.349  6.0495  0.8971748      8.584537  
1 1 1 8   24  25 o 93.446  3.0966  4757.45    313.416  4389.37    427.056  5187.14    461.411  89.483  4.4063  97.283  4.3791  -7.799789      6.212199  
1 1 1 8   24  26 o 74.792  3.2631  3054.46    264.339  2781.78    354.546  3395.75    396.650  70.936  4.6402  78.385  4.6936  -7.448868      6.600133  
1 1 1 8   24  27 o 65.565  2.4809  2341.78    176.181  1997.29    323.495  2487.05    210.068  59.808  5.0408  67.501  2.8733  -7.692474      5.802225  
1 1 1 8   24  28 o 41.499  4.6640  967.593    206.005  1043.78    266.176  853.789    325.314  42.674  5.9182  37.609  8.2161  5.065323       10.12568  
1 1 1 8   24  29 o 18.999  6.9401  179.192    185.955  209.771    234.173  126.995    305.948  20.752  7.7507  20.626  8.4928  0.1261330      11.49788  
1 1 1 8   24  30 o 48.828  4.8380  1357.24    252.494  1159.23    322.873  1668.99    405.125  43.942  7.0202  52.678  7.2965  -8.735283      10.12528  
1 1 1 8   24  31 f 51.921  2.2181  1479.14    124.738  1488.32    130.844  1387.59    413.138  52.050  2.3209  45.868  8.6328  6.182518       8.939375  
1 1 1 8   24  32 o 18.414  7.3912  159.252    224.893  336.834    276.296  -189.3798  387.130  22.918  8.4462  17.302  8.1249  5.615467       11.71977  
1 1 1 8   24  33 o 26.977  9.2448  551.024    325.457  670.110    377.315  204.904    643.260  28.958  9.9526  23.332  10.793  5.625732       14.68128  
1 1 1 8   24  34 o 44.663  7.5659  1375.49    352.936  1547.08    427.223  1006.70    626.330  45.458  8.9956  29.978  12.225  15.48015       15.17792  
1 1 1 8   25  0  o 689.333 16.015  258397.00  11957.44 276602.00  16911.36 240196.30  16909.40 711.923 21.932  663.032 23.546  48.89166       32.17820  
1 1 1 8   25  1  o 238.791 6.2296  30899.46   1611.19  29229.95   2279.87  32565.14   2277.26  232.169 9.0664  245.074 8.5792  -12.90485      12.48209  
1 1 1 8   25  2  o 346.497 8.4841  65096.43   3184.00  62202.82   4503.92  67987.30   4501.79  338.487 12.285  353.914 11.744  -15.42685      16.99548  
1 1 1 8   25  3  o 915.101 30.375  460675.81  30105.71 0.0000     0.0000   460675.81  30105.71 ?       ?       915.101 30.375  0.000000       30.37453  
1 1 1 8   25  4  o 258.253 9.3571  36175.25   2617.32  0.0000     0.0000   36175.25   2617.32  ?       ?       258.253 9.3571  0.000000       9.357099  
1 1 1 8   25  5  o 308.410 10.841  51625.95   3621.47  51625.95   3621.47  0.0000     0.0000   308.410 10.841  ?       ?       0.000000       10.84142  
1 1 1 8   25  6  o 71.639  2.6472  2779.70    205.399  2592.39    305.257  2934.67    277.658  69.054  4.0997  73.605  3.4829  -4.550331      5.379415  
1 1 1 8   25  7  o 623.701 10.431  211206.80  7046.40  201108.59  14097.63 214569.80  8135.56  606.098 21.475  628.395 11.953  -22.29706      24.57753  
1 1 1 8   25  8  o 388.096 7.6119  81698.44   3199.66  84108.52   5547.43  80496.95   3916.83  393.174 13.027  385.072 9.3913  8.102325       16.05904  
1 1 1 8   25  9  o 421.184 7.2548  96231.54   3309.55  97030.71   4681.19  95432.89   4679.63  422.577 10.228  419.072 10.310  3.505096       14.52238  
1 1 1 8   25  10 o 239.737 4.6687  31150.74   1212.26  31562.48   1608.03  30608.63   1845.12  241.242 6.1542  237.508 7.1726  3.734314       9.450923  
1 1 1 8   25  11 o 266.242 5.0562  38432.14   1458.05  39773.79   1927.68  36638.37   2228.95  270.741 6.5737  259.736 7.9232  11.00525       10.29516  
1 1 1 8   25  12 o 152.079 3.2527  12532.10   535.770  12705.94   760.047  12360.41   755.361  153.088 4.5838  150.991 4.6188  2.097214       6.507327  
1 1 1 8   25  13 o 126.622 2.9694  8687.35    407.239  8793.26    581.919  8585.69    570.108  127.357 4.2186  125.846 4.1826  1.510986       5.940601  
1 1 1 8   25  14 o 181.210 3.5906  17798.61   704.730  17798.57   1000.23  17798.66   993.084  181.128 5.0985  181.131 5.0620  -0.2761841E-02 7.184642  
1 1 1 8   25  15 o 128.293 2.9899  8919.53    415.466  9558.55    591.455  8297.09    583.737  132.768 4.1130  123.688 4.3573  9.080460       5.991897  
1 1 1 8   25  16 o 69.360  2.6738  2606.88    200.869  2507.58    307.164  2681.07    265.510  67.867  4.1994  70.325  3.4858  -2.458565      5.457589  
1 1 1 8   25  17 o 235.723 5.3796  30173.02   1373.48  28996.95   2174.41  30953.76   1771.66  230.579 8.7067  238.552 6.8569  -7.972595      11.08254  
1 1 1 8   25  18 o 135.109 3.2005  9896.69    468.354  9652.34    641.077  10176.41   685.897  133.361 4.4382  136.921 4.6251  -3.559906      6.410078  
1 1 1 8   25  19 o 124.305 3.1188  8378.25    419.896  8165.59    579.701  8612.97    609.030  122.644 4.3640  125.952 4.4644  -3.307892      6.243027  
1 1 1 8   25  20 o 98.008  2.9663  5209.29    314.881  5276.80    432.147  5132.88    459.751  98.581  4.0473  97.206  4.3668  1.374657       5.953938  
1 1 1 8   25  21 o 132.621 3.1435  9545.36    451.539  8899.84    618.966  10279.68   660.169  127.920 4.4674  137.484 4.4334  -9.563744      6.293866  
1 1 1 8   25  22 o 130.356 3.1035  9228.68    438.184  8642.76    610.688  9850.45    629.092  125.956 4.4764  134.496 4.3185  -8.540070      6.219951  
1 1 1 8   25  23 o 111.507 2.9913  6758.17    361.274  6308.18    501.706  7242.80    520.659  107.520 4.3082  115.237 4.1715  -7.717186      5.996797  
1 1 1 8   25  24 f 12.702  5.7853  -107.0377  175.275  -208.7418  230.376  32.748     270.085  13.646  6.3622  18.621  7.8462  -4.974648      10.10152  
1 1 1 8   25  25 o 120.053 3.1369  7854.63    407.897  7697.31    563.987  8027.17    590.642  118.487 4.3947  120.960 4.5083  -2.473427      6.295866  
1 1 1 8   25  26 o 143.134 3.2743  11188.69   507.603  10607.79   706.780  11807.49   729.476  138.752 4.7030  146.443 4.5991  -7.690887      6.577991  
1 1 1 8   25  27 o 127.888 3.1987  8945.74    443.064  8170.77    614.043  9787.43    639.932  121.547 4.6643  133.161 4.4370  -11.61403      6.437551  
1 1 1 8   25  28 o 51.404  2.3250  1440.27    129.447  1607.53    309.851  1404.91    142.475  53.297  5.4440  50.662  2.6053  2.634716       6.035292  
1 1 1 8   25  29 o 51.737  4.2771  1496.90    237.528  1465.41    322.981  1534.01    350.539  50.418  6.0345  51.389  6.4392  -0.9717331     8.824918  
1 1 1 8   25  30 o 14.193  1.5479  110.865    23.410   -10.6536   31.661   257.421    34.770   5.7615  2.5539  21.707  1.4879  -15.94561      2.955682  
1 1 1 8   25  31 o 38.243  6.0009  884.753    240.384  1105.75    300.729  493.670    400.052  42.238  6.8047  27.004  10.122  15.23439       12.19636  
1 1 1 8   25  32 o 9.5405  3.4267  44.294     45.078   441.622    349.404  37.569     45.458   25.278  9.4623  9.1820  3.4177  16.09614       10.06059  
1 1 1 8   25  33 o 18.124  7.9657  81.028     301.800  68.612     344.337  122.173    626.835  18.711  8.3503  22.558  10.510  -3.847340      13.42313  
1 1 1 8   25  34 o 21.928  8.8084  334.329    319.681  317.185    362.055  394.976    680.977  21.823  9.1336  23.903  11.074  -2.080309      14.35453  
1 1 1 8   26  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   26  1  o 229.728 8.5389  28615.12   2124.66  0.0000     0.0000   28615.12   2124.66  ?       ?       229.728 8.5389  0.000000       8.538945  
1 1 1 8   26  2  o 366.487 12.591  72933.80   4997.77  0.0000     0.0000   72933.80   4997.77  ?       ?       366.487 12.591  0.000000       12.59062  
1 1 1 8   26  3  o 234.116 8.6782  29722.02   2200.54  0.0000     0.0000   29722.02   2200.54  ?       ?       234.116 8.6782  0.000000       8.678157  
1 1 1 8   26  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   26  5  o 266.789 5.7303  38570.56   1655.82  33688.42   2880.43  40980.14   2023.60  249.134 10.675  274.960 6.7949  -25.82582      12.65385  
1 1 1 8   26  6  o 93.169  2.5107  4701.59    253.355  5257.71    547.613  4550.14    285.779  98.369  5.1578  91.654  2.8788  6.714394       5.906777  
1 1 1 8   26  7  o 197.262 3.7662  21080.39   804.677  21172.75   1622.51  21050.26   926.669  197.586 7.5816  197.109 4.3406  0.4772644      8.736195  
1 1 1 8   26  8  o 230.627 4.2150  28819.35   1052.87  24086.89   2113.64  30381.21   1214.25  210.636 9.2646  236.778 4.7347  -26.14250      10.40438  
1 1 1 8   26  9  o 298.493 6.0288  48310.23   1949.10  51110.21   3382.66  46918.56   2384.78  306.676 10.184  294.065 7.4875  12.61011       12.64009  
1 1 1 8   26  10 o 277.644 4.9648  41787.24   1492.99  41404.46   2112.74  42169.05   2110.08  276.232 7.0616  278.776 6.9883  -2.544556      9.934948  
1 1 1 8   26  11 o 293.236 5.1242  46624.19   1627.47  46218.39   2302.62  47029.25   2300.55  291.772 7.2863  294.328 7.2166  -2.555328      10.25522  
1 1 1 8   26  12 o 296.831 5.1823  47784.91   1666.10  50411.41   2357.69  45164.91   2354.77  304.680 7.1445  288.344 7.5399  16.33536       10.38722  
1 1 1 8   26  13 o 416.327 7.6043  94198.22   3428.98  96164.88   4494.27  91458.60   5304.45  420.142 9.8763  409.164 11.969  10.97833       15.51797  
1 1 1 8   26  14 o 225.634 4.3980  27607.95   1074.80  29125.38   1431.35  25646.26   1627.45  231.645 5.7050  217.255 6.9162  14.39073       8.965538  
1 1 1 8   26  15 o 221.460 4.1153  26595.05   987.117  27189.18   1398.77  26005.62   1393.23  223.779 5.7711  218.843 5.8779  4.935303       8.237413  
1 1 1 8   26  16 o 414.056 8.9410  93480.19   4009.73  94873.45   4424.26  87072.91   9487.69  416.845 9.7993  392.061 22.436  24.78412       24.48259  
1 1 1 8   26  17 o 197.470 4.4256  21157.06   946.545  18940.12   1634.10  22276.50   1161.19  186.430 8.0927  202.546 5.2931  -16.11519      9.669953  
1 1 1 8   26  18 o 111.419 2.9626  6729.54    357.517  6023.91    498.476  7477.04    513.051  105.355 4.3684  117.395 4.0350  -12.03976      5.946732  
1 1 1 8   26  19 o 106.697 2.8734  6171.90    332.062  6347.93    474.918  6003.54    464.469  108.150 4.0544  105.174 4.0774  2.975899       5.750024  
1 1 1 8   26  20 o 230.427 4.2886  28842.71   1070.33  27821.45   1510.41  29872.84   1516.96  225.941 6.1721  234.167 5.9810  -8.226700      8.594617  
1 1 1 8   26  21 o 70.437  3.0161  2692.34    230.101  2378.70    308.140  3087.70    345.959  65.995  4.3350  75.235  4.2631  -9.240700      6.079960  
1 1 1 8   26  22 o 49.562  3.5709  1342.34    190.401  972.193    255.580  1803.97    285.420  41.765  5.8071  57.342  4.6352  -15.57673      7.430168  
1 1 1 8   26  23 o 41.357  1.8859  927.666    84.477   959.589    89.150   646.867    264.402  42.060  1.9569  33.535  7.4708  8.525375       7.722871  
1 1 1 8   26  24 o 53.993  3.8364  1598.98    222.892  1543.44    300.409  1667.01    332.454  52.729  5.3334  54.730  5.6916  -2.000496      7.799994  
1 1 1 8   26  25 o 43.373  4.3442  1041.31    201.336  1116.57    260.345  929.321    317.572  44.649  5.4998  40.075  7.5945  4.574455       9.376746  
1 1 1 8   26  26 o 62.340  3.5307  2132.27    237.416  1932.32    313.574  2400.86    363.431  58.959  4.9564  65.699  5.1485  -6.739761      7.146539  
1 1 1 8   26  27 o 42.919  4.8140  1032.30    219.926  767.602    298.791  1345.27    324.892  35.930  7.8936  48.525  6.3327  -12.59484      10.11983  
1 1 1 8   26  28 o 87.161  3.2378  4166.78    305.660  3838.68    416.621  4549.26    449.823  82.983  4.6541  90.381  4.6104  -7.398354      6.551110  
1 1 1 8   26  29 f 66.645  3.6409  2458.31    261.817  2741.40    355.768  2123.86    386.693  69.882  4.7282  60.843  5.9438  9.039112       7.595052  
1 1 1 8   26  30 o 41.989  5.3754  1021.17    238.854  742.536    296.803  1533.28    402.379  34.334  8.1105  50.074  7.6629  -15.74045      11.15793  
1 1 1 8   26  31 o 37.733  6.0748  865.988    239.841  801.683    296.335  988.107    408.369  34.911  8.0074  37.073  9.9585  -2.161922      12.77852  
1 1 1 8   26  32 o 36.284  7.3782  859.853    280.079  1163.79    380.718  501.338    413.492  40.885  8.8538  26.370  10.192  14.51501       13.50066  
1 1 1 8   26  33 f 44.344  2.6253  1097.67    125.532  1260.92    468.017  1085.02    130.306  39.180  10.719  44.025  2.7464  -4.845566      11.06481  
1 1 1 8   26  34 o 23.639  9.4743  428.853    368.920  705.698    437.318  -254.4191  687.031  27.921  10.558  20.086  9.7859  7.835680       14.39533  
1 1 1 8   27  0  o 315.421 6.5337  53918.12   2232.15  57934.36   3861.67  51902.93   2735.42  326.747 10.912  309.408 8.1625  17.33923       13.62686  
1 1 1 8   27  1  o 686.533 22.797  257516.91  16951.77 0.0000     0.0000   257516.91  16951.77 ?       ?       686.533 22.797  0.000000       22.79730  
1 1 1 8   27  2  o 786.363 26.088  338871.19  22219.33 0.0000     0.0000   338871.19  22219.33 ?       ?       786.363 26.088  0.000000       26.08780  
1 1 1 8   27  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   27  4  o 332.492 11.562  60021.64   4163.88  60021.64   4163.88  0.0000     0.0000   332.492 11.562  ?       ?       0.000000       11.56239  
1 1 1 8   27  5  o 152.337 3.5774  12570.84   590.258  14183.93   1050.02  11825.59   713.698  161.777 5.9925  147.742 4.4601  14.03587       7.470092  
1 1 1 8   27  6  o 323.548 5.5987  56732.21   1961.99  59464.68   3934.19  55827.67   2263.56  330.909 10.977  320.917 6.5122  9.991547       12.76321  
1 1 1 8   27  7  o 76.645  2.6140  3181.88    216.998  2947.64    473.888  3244.03    244.093  73.497  6.0055  77.388  2.9121  -3.891212      6.674313  
1 1 1 8   27  8  o 371.169 6.3696  74699.63   2560.69  73925.90   5127.84  74956.67   2955.59  368.548 12.846  371.732 7.3408  -3.184570      14.79557  
1 1 1 8   27  9  o 408.715 6.8945  90616.27   3052.08  89177.48   6109.59  91094.72   3523.19  404.414 13.948  409.681 7.9400  -5.266724      16.04973  
1 1 1 8   27  10 f 336.411 6.6820  61402.66   2434.72  60847.87   4222.29  61679.03   2980.06  334.253 11.663  337.013 8.1641  -2.759613      14.23633  
1 1 1 8   27  11 o 230.318 4.3010  28753.51   1072.92  28721.56   1518.37  28785.38   1516.30  230.085 6.0928  230.342 6.0777  -0.2565155     8.605882  
1 1 1 8   27  12 o 165.775 3.5750  14893.18   641.900  14989.62   870.175  14778.07   950.733  166.262 4.8322  165.062 5.3179  1.199966       7.185403  
1 1 1 8   27  13 o 377.197 6.4368  77252.16   2629.73  78766.77   3719.78  75738.84   3718.20  380.398 9.0284  372.977 9.2041  7.420685       12.89289  
1 1 1 8   27  14 o 267.465 4.7604  38803.57   1379.04  39907.27   1952.17  37704.18   1948.36  271.036 6.6500  263.426 6.8287  7.609924       9.531734  
1 1 1 8   27  15 o 230.749 4.2828  28876.65   1070.39  29415.80   1515.66  28340.19   1511.86  232.731 6.0128  228.425 6.1108  4.305252       8.572955  
1 1 1 8   27  16 o 94.212  3.3765  4811.53    344.543  5005.98    420.748  4415.74    600.289  96.076  4.0433  89.937  6.2003  6.139122       7.402145  
1 1 1 8   27  17 o 142.648 3.7255  11034.65   575.597  10252.64   984.795  11440.43   709.383  137.301 6.6222  145.202 4.5106  -7.900848      8.012465  
1 1 1 8   27  18 o 94.086  2.8954  4798.47    295.053  4760.73    405.538  4840.92    430.079  93.675  3.9971  94.451  4.2041  -0.7765274     5.800924  
1 1 1 8   27  19 o 71.460  3.0263  2768.95    234.233  2973.90    315.362  2516.75    349.824  73.920  3.9532  67.898  4.7876  6.022743       6.208766  
1 1 1 8   27  20 o 104.244 2.8424  5893.16    320.924  5475.23    456.162  6302.75    451.584  100.397 4.1950  107.741 3.8698  -7.344414      5.707272  
1 1 1 8   27  21 o 109.505 2.9952  6507.67    355.248  6769.54    491.252  6220.60    514.336  111.587 4.0646  106.927 4.4411  4.660202       6.020330  
1 1 1 8   27  22 o 123.258 3.0838  8252.79    411.697  7985.91    569.422  8545.11    595.937  121.066 4.3425  125.224 4.3938  -4.158012      6.177622  
1 1 1 8   27  23 o 117.231 2.9989  7471.79    380.775  7778.01    541.852  7173.04    535.203  119.387 4.1904  114.624 4.3109  4.762352       6.011956  
1 1 1 8   27  24 f 68.802  2.1776  2570.16    162.270  2500.83    227.746  2641.64    231.264  67.778  3.1024  69.664  3.0650  -1.886322      4.361052  
1 1 1 8   27  25 o 110.802 2.9986  6689.07    359.862  6645.67    516.575  6729.99    501.598  110.082 4.3326  110.826 4.1787  -0.7445602     6.019390  
1 1 1 8   27  26 o 92.554  2.9137  4671.25    292.088  4905.40    449.761  4500.46    384.112  94.430  4.3974  90.595  3.9146  3.835045       5.887391  
1 1 1 8   27  27 o 75.140  3.3696  3092.72    274.232  2703.94    372.411  3553.26    405.322  69.631  4.9706  79.983  4.6994  -10.35195      6.840432  
1 1 1 8   27  28 f 23.979  7.1156  337.764    198.147  483.908    259.376  132.936    307.066  28.333  8.0652  20.893  8.5444  7.440477       11.74968  
1 1 1 8   27  29 o 42.558  1.4566  983.928    67.143   769.571    315.156  994.120    68.721   35.302  8.3698  42.776  1.4833  -7.474140      8.500188  
1 1 1 8   27  30 o 36.176  6.5182  786.265    246.002  752.942    314.703  838.616    394.450  34.285  8.5137  35.355  9.9050  -1.070415      13.06110  
1 1 1 8   27  31 o 16.503  2.1633  151.926    37.737   154.475    267.235  151.875    38.119   19.316  7.9435  16.495  2.1876  2.821037       8.239193  
1 1 1 8   27  32 o 18.352  7.6638  130.957    254.113  181.594    334.269  61.625     391.134  20.542  8.6961  19.844  8.8745  0.6977425      12.42492  
1 1 1 8   27  33 o 25.501  9.0828  485.992    316.068  642.279    362.767  -6.5145    643.982  28.422  9.7594  21.719  10.284  6.702740       14.17794  
1 1 1 8   27  34 o 31.693  9.1938  790.137    334.066  919.005    385.850  404.363    667.594  33.255  9.9435  23.996  11.063  9.258640       14.87499  
1 1 1 8   28  0  o 423.250 10.361  97194.83   4749.90  100519.90  6711.29  93857.70   6723.48  430.055 14.408  415.503 14.940  14.55179       20.75576  
1 1 1 8   28  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   28  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   28  3  o 576.671 19.246  181344.50  12020.63 181344.50  12020.63 0.0000     0.0000   576.671 19.246  ?       ?       0.000000       19.24550  
1 1 1 8   28  4  o 772.075 25.656  327046.31  21454.91 327046.31  21454.91 0.0000     0.0000   772.075 25.656  ?       ?       0.000000       25.65648  
1 1 1 8   28  5  o 478.578 9.2144  124263.90  4776.27  119310.30  8277.25  126736.60  5848.12  468.021 16.329  483.106 11.176  -15.08551      19.78732  
1 1 1 8   28  6  o 301.486 5.3368  49258.08   1742.69  50058.87   3496.21  48993.35   2010.21  303.613 10.632  300.640 6.1734  2.973785       12.29415  
1 1 1 8   28  7  o 111.376 2.7164  6719.15    327.683  7484.16    685.051  6492.19    373.139  117.510 5.3824  109.475 3.1469  8.035255       6.234854  
1 1 1 8   28  8  o 323.158 5.6399  56612.20   1974.06  55335.01   3955.68  57035.77   2278.00  318.988 11.449  324.312 6.4852  -5.323517      13.15835  
1 1 1 8   28  9  o 347.730 5.9918  65569.40   2256.68  63830.51   4519.02  66147.10   2604.71  342.375 12.186  349.184 6.8871  -6.808685      13.99777  
1 1 1 8   28  10 o 204.837 3.8852  22737.45   861.976  20779.39   1731.40  23382.69   993.902  195.598 8.1727  207.703 4.4181  -12.10468      9.290405  
1 1 1 8   28  11 o 138.950 3.6411  10462.84   547.978  9615.17    958.322  10874.65   667.951  133.098 6.6477  141.638 4.3541  -8.539459      7.946660  
1 1 1 8   28  12 o 400.877 6.8243  87259.94   2963.07  88684.89   4190.93  85835.68   4189.89  403.617 9.5867  397.047 9.7430  6.570557       13.66860  
1 1 1 8   28  13 o 93.751  2.7421  4762.14    278.440  5226.21    399.758  4324.86    388.050  98.192  3.7588  89.318  4.0112  8.873543       5.497168  
1 1 1 8   28  14 o 270.153 4.7839  39589.34   1399.78  40981.33   1981.56  38202.89   1977.62  274.648 6.6613  265.145 6.8863  9.502808       9.580962  
1 1 1 8   28  15 o 284.789 5.3974  44024.35   1664.87  45712.92   2197.40  41748.76   2550.92  289.971 6.9966  276.856 8.5069  13.11508       11.01453  
1 1 1 8   28  16 o 313.283 5.5115  53293.23   1870.16  52389.30   2643.72  54198.66   2645.90  310.186 7.8690  315.525 7.7423  -5.338257      11.03925  
1 1 1 8   28  17 o 110.504 3.4593  6620.80    414.035  6348.10    721.366  6754.77    505.609  107.886 6.1994  111.585 4.1835  -3.699417      7.478899  
1 1 1 8   28  18 o 182.868 3.6787  18138.27   728.620  17875.66   1026.21  18405.25   1034.69  181.395 5.2232  184.067 5.1900  -2.671158      7.363288  
1 1 1 8   28  19 o 82.613  2.9946  3700.74    267.953  3359.46    371.537  4070.65    386.809  78.534  4.3855  86.595  4.1242  -8.061195      6.020038  
1 1 1 8   28  20 o 104.253 2.8619  5894.66    323.155  5744.65    466.897  6032.60    447.725  102.831 4.1921  105.397 3.9220  -2.566521      5.740699  
1 1 1 8   28  21 o 69.468  3.1612  2619.89    237.850  2283.72    320.136  3034.10    355.357  64.608  4.6050  74.542  4.4212  -9.933464      6.383803  
1 1 1 8   28  22 o 115.876 2.9169  7292.36    366.081  7262.77    515.435  7322.49    520.029  115.476 4.1211  115.946 4.1410  -0.4706421     5.842180  
1 1 1 8   28  23 o 73.395  3.1616  2930.36    251.327  3112.99    361.498  2759.51    349.657  75.355  4.4489  70.907  4.5773  4.448196       6.383139  
1 1 1 8   28  24 o 65.991  3.5581  2381.63    253.379  2281.37    353.839  2487.16    363.001  64.244  5.1279  67.121  5.0298  -2.876816      7.182908  
1 1 1 8   28  25 o 54.127  2.2423  1592.16    131.458  1653.53    142.956  1256.01    334.558  55.147  2.3934  46.982  6.7701  8.165180       7.180664  
1 1 1 8   28  26 o 92.276  3.1784  4650.00    317.660  4788.70    435.827  4492.81    463.972  93.316  4.3121  90.115  4.7706  3.200798       6.430644  
1 1 1 8   28  27 o 41.151  2.7063  927.918    119.946  1703.33    294.786  774.070    131.307  55.167  4.9874  37.462  3.2689  17.70539       5.963247  
1 1 1 8   28  28 o 43.777  4.8991  1081.44    228.309  975.101    313.663  1201.26    332.957  40.522  7.4201  45.271  7.0175  -4.749336      10.21294  
1 1 1 8   28  29 o 46.398  4.5213  1211.89    224.326  1172.93    298.003  1262.83    340.773  44.858  6.3077  46.194  7.0329  -1.336067      9.447207  
1 1 1 8   28  30 o 29.248  1.2755  464.843    40.408   94.425     261.510  473.904    40.899   18.571  7.7666  29.532  1.2787  -10.96083      7.871110  
1 1 1 8   28  31 f 31.968  6.8748  647.179    230.966  783.333    285.235  387.903    393.611  34.568  7.8032  24.897  9.8486  9.671368       12.56522  
1 1 1 8   28  32 o 21.805  8.9635  259.747    340.103  167.780    408.629  467.079    613.547  21.318  9.3215  26.279  11.458  -4.960686      14.77084  
1 1 1 8   28  33 o 30.028  9.1541  687.540    324.705  553.183    370.007  1137.66    677.237  26.489  9.7723  32.254  12.868  -5.764263      16.15792  
1 1 1 8   28  34 o 19.258  8.2497  178.308    307.143  112.599    345.040  429.109    674.095  18.851  8.3897  24.207  11.144  -5.356323      13.94938  
1 1 1 8   29  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   29  1  o 143.549 7.4305  11200.54   1151.32  11200.54   1151.32  0.0000     0.0000   143.549 7.4305  ?       ?       0.000000       7.430462  
1 1 1 8   29  2  o 608.751 20.283  202231.70  13373.39 202231.70  13373.39 0.0000     0.0000   608.751 20.283  ?       ?       0.000000       20.28297  
1 1 1 8   29  3  o 511.247 17.150  142362.00  9496.65  142362.00  9496.65  0.0000     0.0000   511.247 17.150  ?       ?       0.000000       17.15020  
1 1 1 8   29  4  f 268.259 6.8143  39009.50   1979.91  41241.79   2800.52  36778.80   2799.52  275.708 9.3782  260.334 9.9285  15.37381       13.65742  
1 1 1 8   29  5  o 342.911 5.4411  63723.62   2020.86  68818.45   4051.59  62036.35   2331.59  356.025 10.507  338.299 6.3633  17.72623       12.28359  
1 1 1 8   29  6  o 557.265 9.2053  168546.50  5556.09  177290.70  11119.88 165637.09  6414.14  569.768 18.019  552.218 10.724  17.55011       20.96880  
1 1 1 8   29  7  o 231.145 4.5478  28951.72   1138.55  24631.45   2973.66  29693.85   1232.47  212.350 12.992  234.079 4.8612  -21.72888      13.87127  
1 1 1 8   29  8  o 62.464  2.5512  2113.46    172.605  2746.66    394.097  1963.17    191.999  70.998  5.1602  60.200  2.9446  10.79810       5.941266  
1 1 1 8   29  9  o 137.293 3.1140  10211.74   463.054  9431.18    941.011  10461.14   531.910  131.855 6.5891  138.952 3.5343  -7.097046      7.477181  
1 1 1 8   29  10 o 109.252 2.8458  6466.38    336.748  6383.91    690.529  6492.12    385.723  108.326 5.9077  109.463 3.2534  -1.136734      6.744318  
1 1 1 8   29  11 o 276.993 4.8628  41602.13   1458.89  41563.76   2922.91  41614.86   1683.60  276.348 9.7653  276.979 5.6121  -0.6305237     11.26309  
1 1 1 8   29  12 o 247.051 5.2124  33105.73   1394.75  34434.30   2421.65  32446.28   1706.14  251.581 8.8872  244.476 6.4433  7.104095       10.97717  
1 1 1 8   29  13 o 221.658 4.7707  26647.99   1145.34  28211.04   1989.87  25873.59   1400.62  227.747 8.0668  218.324 5.9231  9.422195       10.00782  
1 1 1 8   29  14 o 283.947 5.0509  43745.26   1553.37  45792.64   2198.02  41702.41   2195.58  290.265 6.9914  276.951 7.3194  13.31442       10.12195  
1 1 1 8   29  15 o 169.459 3.4312  15566.24   629.760  16859.23   895.130  14299.01   886.168  176.284 4.6882  162.326 5.0403  13.95845       6.883590  
1 1 1 8   29  16 o 324.698 5.6754  57258.54   1995.94  59309.16   2823.83  55211.23   2821.55  330.020 7.9000  318.351 8.1830  11.66928       11.37415  
1 1 1 8   29  17 o 287.398 6.4467  44920.74   2006.74  45769.45   3163.62  44349.35   2595.80  289.214 10.099  285.144 8.4050  4.070313       13.13932  
1 1 1 8   29  18 o 261.800 4.9621  37224.88   1407.03  35954.93   1859.60  38925.52   2151.94  256.994 6.6808  267.233 7.4348  -10.23953      9.995455  
1 1 1 8   29  19 o 270.296 4.8375  39700.02   1416.21  38292.04   1998.90  41119.11   2006.78  264.980 6.9648  274.647 6.7461  -9.666718      9.696329  
1 1 1 8   29  20 o 99.075  2.9611  5324.63    317.754  5385.43    439.681  5258.15    459.735  99.566  4.0771  98.364  4.3152  1.202042       5.936677  
1 1 1 8   29  21 o 90.182  2.9252  4414.07    285.721  4091.54    393.135  4775.16    415.972  86.725  4.1853  93.699  4.0988  -6.973953      5.858080  
1 1 1 8   29  22 o 85.072  2.9321  3931.24    270.167  3776.34    370.478  4107.17    394.832  83.258  4.1083  86.817  4.1989  -3.558884      5.874451  
1 1 1 8   29  23 o 45.344  3.9975  1130.17    194.317  956.454    278.673  1294.57    271.095  41.163  6.4634  48.309  5.2664  -7.145939      8.337301  
1 1 1 8   29  24 o 79.551  3.3165  3448.43    285.758  3657.46    402.131  3235.20    406.145  81.578  4.5696  76.618  4.9202  4.959831       6.714876  
1 1 1 8   29  25 o 47.817  4.2149  1263.16    216.061  1250.88    289.237  1278.66    324.993  47.178  5.7814  47.489  6.4882  -0.3110847     8.690313  
1 1 1 8   29  26 o 31.259  6.0917  562.950    198.830  457.819    261.283  707.586    306.467  27.961  8.1365  34.507  8.3011  -6.545675      11.62369  
1 1 1 8   29  27 o 71.162  3.4310  2776.71    264.444  2911.19    358.199  2615.61    392.051  72.376  4.5932  68.280  5.3439  4.096870       7.046604  
1 1 1 8   29  28 o 24.898  1.2224  336.355    32.965   279.198    45.573   399.083    47.742   22.577  1.8808  27.050  1.6372  -4.473423      2.493564  
1 1 1 8   29  29 o 35.227  5.7049  720.824    210.222  787.581    277.384  630.735    322.228  36.128  7.3391  31.669  8.9806  4.458750       11.59800  
1 1 1 8   29  30 o 36.281  6.4160  793.200    242.902  788.613    311.642  800.299    387.717  35.031  8.3346  34.290  9.8923  0.7407227      12.93531  
1 1 1 8   29  31 o 4.1387  2.0273  -59.5177   30.660   -59.5620   30.760   -52.7261   380.571  4.1486  2.0318  18.681  8.5147  -14.53267      8.753802  
1 1 1 8   29  32 o 20.258  8.3769  198.930    299.368  45.572     337.510  764.717    648.275  18.632  8.2945  29.487  12.271  -10.85529      14.81149  
1 1 1 8   29  33 o 28.488  9.1432  621.700    319.749  620.046    363.002  627.425    675.422  27.850  9.7511  26.663  11.808  1.186914       15.31418  
1 1 1 8   29  34 o 27.114  11.988  780.024    693.391  0.0000     0.0000   780.024    693.391  ?       ?       27.114  11.988  0.000000       11.98847  
1 1 1 8   30  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   30  1  o 481.509 13.317  125980.70  6944.96  133105.50  12732.31 122963.00  8286.18  493.121 23.839  475.340 16.095  17.78088       28.76319  
1 1 1 8   30  2  o 386.426 13.219  81143.63   5532.71  81143.63   5532.71  0.0000     0.0000   386.426 13.219  ?       ?       0.000000       13.21907  
1 1 1 8   30  3  o 338.298 8.2591  62065.23   3026.22  56553.35   4278.81  67581.84   4280.65  322.656 12.244  352.805 11.202  -30.14877      16.59512  
1 1 1 8   30  4  o 155.659 4.7079  13128.05   793.723  12654.13   1121.31  13603.97   1123.68  152.783 6.7761  158.419 6.5489  -5.635651      9.423566  
1 1 1 8   30  5  o 688.067 16.110  258027.00  12005.98 242029.09  16978.93 274025.31  16979.10 663.984 23.609  707.076 22.171  -43.09235      32.38728  
1 1 1 8   30  6  o 460.914 8.6085  115282.50  4297.52  122439.40  7450.13  111713.60  5261.02  474.119 14.508  453.470 10.712  20.64847       18.03380  
1 1 1 8   30  7  o 119.325 2.8492  7712.79    368.234  7831.71    764.125  7676.82    420.251  120.192 5.8697  119.042 3.2594  1.150627       6.713968  
1 1 1 8   30  8  o 420.620 7.1927  95987.21   3276.79  95060.82   6560.59  96295.13   3782.37  417.417 14.511  421.167 8.2916  -3.750885      16.71303  
1 1 1 8   30  9  o 648.972 10.886  229194.09  7651.48  219341.70  15307.64 232475.59  8834.28  629.930 22.436  653.101 12.489  -23.17157      25.67772  
1 1 1 8   30  10 o 259.749 4.7336  36577.32   1331.72  33526.70   2670.02  37587.52   1536.47  248.231 9.9309  263.270 5.3883  -15.03882      11.29851  
1 1 1 8   30  11 f 79.850  2.7259  3454.32    235.750  3210.67    487.828  3528.56    269.282  76.698  5.9181  80.699  3.0808  -4.000610      6.671987  
1 1 1 8   30  12 f 110.722 2.8083  6642.19    336.786  5863.37    685.603  6889.89    386.651  103.756 6.1280  112.760 3.1659  -9.004456      6.897519  
1 1 1 8   30  13 o 322.199 6.4573  56378.73   2253.46  60091.41   3907.78  54529.04   2758.26  331.781 10.874  316.624 8.0431  15.15771       13.52570  
1 1 1 8   30  14 o 94.230  3.0316  4811.94    309.405  5467.21    578.777  4549.75    366.110  100.227 5.3509  91.612  3.6897  8.614738       6.499720  
1 1 1 8   30  15 o 145.008 3.6320  11399.74   570.432  12076.01   1001.63  11075.12   693.965  149.092 6.2027  142.888 4.4841  6.204575       7.653805  
1 1 1 8   30  16 o 317.226 5.8770  54668.04   2019.28  57875.69   2659.05  50298.18   3103.61  326.074 7.5291  303.536 9.4403  22.53790       12.07504  
1 1 1 8   30  17 o 223.776 4.8624  27185.51   1178.52  26943.64   2045.89  27305.63   1441.76  222.216 8.5003  224.134 5.9390  -1.917862      10.36955  
1 1 1 8   30  18 o 252.020 4.5961  34484.00   1254.58  35527.50   1775.61  33443.70   1772.88  255.497 6.4164  247.854 6.6041  7.642410       9.207826  
1 1 1 8   30  19 o 100.388 2.8201  5464.16    306.632  6103.48    454.859  4931.62    415.143  106.037 3.9605  95.312  4.0214  10.72501       5.644230  
1 1 1 8   30  20 o 97.374  2.9556  5143.67    311.714  5020.74    438.375  5269.39    443.327  96.119  4.2108  98.474  4.1565  -2.355804      5.916739  
1 1 1 8   30  21 o 121.744 3.0342  8046.60    400.100  7964.79    556.359  8134.23    575.794  120.980 4.2459  122.246 4.3487  -1.265610      6.077770  
1 1 1 8   30  22 o 214.074 4.0856  24969.73   947.312  25239.89   1336.18  24696.70   1343.25  214.591 5.7489  212.227 5.8437  2.363892       8.197439  
1 1 1 8   30  23 o 28.746  6.1958  472.535    187.217  372.553    248.211  604.485    285.145  25.845  8.0251  32.289  8.1521  -6.444038      11.43935  
1 1 1 8   30  24 o 72.764  3.5012  2887.70    275.936  2583.21    376.922  3239.34    405.060  68.363  5.1279  76.658  4.9042  -8.295349      7.095521  
1 1 1 8   30  25 o 53.347  4.0949  1568.67    234.799  1501.26    328.324  1639.23    335.920  51.672  5.9768  54.069  5.8283  -2.396637      8.348102  
1 1 1 8   30  26 o 35.560  1.8073  688.511    69.381   691.087    71.234   640.931    306.145  35.622  1.8527  32.772  8.5390  2.849873       8.737659  
1 1 1 8   30  27 o 44.447  4.7948  1108.13    227.169  991.873    315.436  1233.40    327.433  41.088  7.3583  46.189  6.7438  -5.101467      9.981172  
1 1 1 8   30  28 o 19.529  7.0697  191.807    192.340  217.403    250.065  154.729    300.975  21.305  7.9991  21.091  8.5206  0.2133961      11.68698  
1 1 1 8   30  29 o 25.992  1.5561  368.576    43.605   427.710    289.378  367.203    44.109   26.591  8.7110  25.941  1.5774  0.6503048      8.852665  
1 1 1 8   30  30 o ?       ?       -305.4739  35.641   -303.0103  35.809   -567.3377  369.181  ?       ?       14.508  7.0912  0.000000       7.091167  
1 1 1 8   30  31 o ?       ?       -192.7157  33.173   45.515     257.286  -196.7430  33.452   17.162  7.4519  ?       ?       0.000000       7.451929  
1 1 1 8   30  32 o 33.725  8.8027  808.986    324.978  954.505    371.917  339.178    668.262  36.091  9.4155  25.258  11.422  10.83253       14.80213  
1 1 1 8   30  33 o 32.773  12.870  1185.39    667.577  0.0000     0.0000   1185.39    667.577  ?       ?       32.773  12.870  0.000000       12.86985  
1 1 1 8   30  34 f 25.851  11.572  632.122    666.745  0.0000     0.0000   632.122    666.745  ?       ?       25.851  11.572  0.000000       11.57219  
1 1 1 8   31  0  o 392.053 9.9953  83401.45   4244.34  75803.45   6008.38  90969.27   5996.44  373.329 14.859  409.123 13.532  -35.79355      20.09770  
1 1 1 8   31  1  o 394.336 7.8576  84315.20   3356.03  81738.22   5817.69  85600.45   4108.56  387.763 13.852  397.214 9.5498  -9.451172      16.82491  
1 1 1 8   31  2  o 235.822 6.1701  30140.48   1575.98  29756.76   2230.26  30523.18   2227.28  234.221 8.7914  237.224 8.6686  -3.002365      12.34637  
1 1 1 8   31  3  o 334.225 8.1820  60583.37   2961.89  55846.86   4187.98  65323.38   4189.52  320.619 12.060  346.836 11.152  -26.21686      16.42619  
1 1 1 8   31  4  o 356.626 8.6846  68999.13   3354.53  65783.47   4743.87  72215.20   4744.17  347.874 12.590  364.544 12.015  -16.67059      17.40375  
1 1 1 8   31  5  o 384.141 6.6147  80005.32   2752.14  80475.84   5512.59  79849.11   3176.30  384.607 13.233  383.691 7.6431  0.9150391      15.28195  
1 1 1 8   31  6  o 128.820 2.9910  8989.11    417.316  8003.17    861.816  9291.10    476.965  121.311 6.5838  130.961 3.3626  -9.650009      7.392752  
1 1 1 8   31  7  o 273.744 4.9234  40613.74   1459.75  40411.75   2930.46  40680.40   1683.48  272.733 9.9204  273.933 5.6740  -1.200226      11.42840  
1 1 1 8   31  8  o 140.801 3.1156  10740.06   475.132  11337.04   972.074  10552.66   544.622  144.583 6.2074  139.558 3.6030  5.024643       7.177341  
1 1 1 8   31  9  o 135.844 3.1472  9997.92    463.056  7960.47    943.469  10644.45   531.471  120.889 7.2389  140.161 3.5009  -19.27210      8.041056  
1 1 1 8   31  10 o 282.097 5.0348  43150.28   1538.33  41380.71   3083.39  43736.72   1775.03  275.698 10.326  283.952 5.7715  -8.253479      11.82933  
1 1 1 8   31  11 o 77.642  2.6951  3265.97    226.648  3199.24    473.487  3285.81    258.144  76.576  5.7508  77.873  3.0606  -1.297714      6.514534  
1 1 1 8   31  12 o 211.717 3.9957  24298.71   916.262  26325.39   1839.65  23630.09   1056.65  220.072 7.7179  208.746 4.6735  11.32591       9.022629  
1 1 1 8   31  13 o 331.099 5.7327  59503.05   2055.82  59578.15   4114.66  59478.07   2373.28  330.179 11.506  330.904 6.6218  -0.7256165     13.27520  
1 1 1 8   31  14 o 35.353  4.0452  686.524    152.104  705.639    306.445  680.275    175.211  35.307  8.1747  35.097  4.7295  0.2094688      9.444272  
1 1 1 8   31  15 o 116.059 3.4416  7301.73    432.627  7080.42    762.662  7406.73    525.326  113.993 6.2004  116.864 4.1503  -2.871284      7.461236  
1 1 1 8   31  16 o 311.506 6.3311  52745.53   2136.08  53240.22   3702.43  52498.71   2615.23  311.811 10.963  310.484 7.7768  1.327240       13.44111  
1 1 1 8   31  17 o 322.310 6.5560  56519.46   2288.68  53095.42   3966.92  58227.86   2802.06  310.799 11.784  326.800 7.9164  -16.00137      14.19644  
1 1 1 8   31  18 o 405.326 6.9258  89505.62   3040.49  86962.63   4299.55  92049.42   4300.25  398.254 9.9677  409.876 9.6866  -11.62231      13.89907  
1 1 1 8   31  19 f 219.765 4.1753  26226.50   993.839  25674.40   1406.13  26777.61   1404.87  217.130 5.9791  221.772 5.8487  -4.642502      8.364036  
1 1 1 8   31  20 o 96.136  2.7584  5013.01    287.222  4799.42    422.706  5196.21    391.477  93.973  4.1530  97.816  3.6951  -3.843636      5.558907  
1 1 1 8   31  21 o 51.423  3.4885  1443.47    193.147  1563.82    269.144  1315.67    277.342  53.368  4.7043  48.812  5.3327  4.556488       7.111118  
1 1 1 8   31  22 o 49.946  3.4956  1363.78    187.906  1558.38    251.564  1118.18    282.619  53.269  4.3995  44.756  5.9797  8.513325       7.423778  
1 1 1 8   31  23 o 107.569 2.9825  6293.59    347.491  6216.25    506.846  6362.19    477.333  106.637 4.3883  107.949 4.0826  -1.312256      5.993728  
1 1 1 8   31  24 o 32.086  2.1879  561.717    75.583   762.928    292.231  547.292    78.246   36.265  7.6790  31.658  2.2976  4.607622       8.015369  
1 1 1 8   31  25 o 34.002  5.9232  659.319    210.209  559.092    292.836  765.869    301.932  30.823  8.4976  36.137  7.9318  -5.313719      11.62421  
1 1 1 8   31  26 o 21.773  1.4548  258.350    34.109   124.159    246.713  260.965    34.440   19.448  7.7642  21.882  1.4615  -2.434185      7.900557  
1 1 1 8   31  27 o 56.244  3.9274  1750.22    237.746  1693.52    321.961  1818.22    352.567  54.769  5.5018  56.628  5.8317  -1.859077      8.017381  
1 1 1 8   31  28 o 20.029  7.3615  197.791    209.679  338.904    289.373  41.795     304.249  24.701  8.7022  19.254  8.2284  5.447254       11.97641  
1 1 1 8   31  29 o 43.012  2.2929  1013.33    106.434  1010.26    300.061  1013.77    113.836  41.137  6.9843  42.986  2.4552  -1.849392      7.403316  
1 1 1 8   31  30 o 27.567  8.7740  496.447    294.917  629.591    454.100  399.322    387.844  30.132  10.870  25.779  9.8956  4.352598       14.69956  
1 1 1 8   31  31 o 20.147  8.8926  77.652     379.908  0.0000     0.0000   77.652     379.908  ?       ?       20.147  8.8926  0.000000       8.892612  
1 1 1 8   31  32 o 21.303  10.077  -115.3558  615.406  0.0000     0.0000   -115.3558  615.406  ?       ?       21.303  10.077  0.000000       10.07727  
1 1 1 8   31  33 o 23.896  11.028  312.927    665.780  0.0000     0.0000   312.927    665.780  ?       ?       23.896  11.028  0.000000       11.02789  
1 1 1 8   31  34 o 32.394  11.740  1058.48    530.626  0.0000     0.0000   1058.48    530.626  ?       ?       32.394  11.740  0.000000       11.74023  
1 1 1 8   32  0  o 462.994 8.2738  116252.90  4149.06  119147.60  5432.38  112200.30  6427.74  468.500 10.706  454.374 13.061  14.12589       16.88781  
1 1 1 8   32  1  o 501.302 8.6472  136309.20  4695.08  141312.91  6640.25  131306.70  6639.44  510.046 12.020  491.599 12.470  18.44644       17.31964  
1 1 1 8   32  2  o 460.053 12.826  115033.90  6391.12  110770.70  11678.20 116856.70  7636.15  448.777 24.114  463.343 15.216  -14.56616      28.51342  
1 1 1 8   32  3  o 115.749 4.1929  7258.56    525.655  7160.78    743.209  7356.44    743.568  114.785 5.9988  116.352 5.9199  -1.567177      8.427972  
1 1 1 8   32  4  o 149.615 4.6139  12129.00   747.672  11379.55   1055.91  12882.58   1058.83  144.875 6.7292  154.156 6.3416  -9.280914      9.246514  
1 1 1 8   32  5  o 500.731 10.793  136223.59  5853.44  144816.50  14027.42 134411.91  6441.02  512.591 25.266  497.207 11.960  15.38388       27.95395  
1 1 1 8   32  6  o 486.483 8.2303  128433.90  4336.64  124908.00  8680.84  129606.50  5006.07  478.197 16.760  488.536 9.4609  -10.33856      19.24628  
1 1 1 8   32  7  o 547.342 9.1294  162707.41  5412.17  160340.00  10831.24 163495.20  6248.12  540.942 18.487  548.408 10.519  -7.465576      21.26980  
1 1 1 8   32  8  o 591.368 9.9618  190133.41  6380.64  189800.59  12767.71 190244.30  7366.50  587.346 20.070  591.154 11.505  -3.808716      23.13385  
1 1 1 8   32  9  o 376.391 6.4352  76866.17   2623.45  76889.85   5254.35  76858.30   3027.86  375.380 12.923  376.254 7.4299  -0.8734131     14.90700  
1 1 1 8   32  10 o 158.034 3.3279  13532.83   569.621  13725.79   1153.40  13470.58   655.085  159.019 6.6967  157.656 3.8363  1.363754       7.717689  
1 1 1 8   32  11 o 32.341  3.6296  573.969    124.945  259.125    292.581  644.192    138.178  24.070  8.7186  34.267  3.7862  -10.19688      9.505276  
1 1 1 8   32  12 o 87.954  2.5972  4191.23    247.420  4402.11    539.503  4135.07    278.425  89.898  5.5682  87.358  2.9426  2.540573       6.297945  
1 1 1 8   32  13 o 98.370  2.6880  5243.15    286.390  5774.06    601.125  5087.26    325.733  103.009 5.4068  96.889  3.1040  6.120705       6.234408  
1 1 1 8   32  14 o 130.476 3.0516  9226.02    431.249  9270.44    861.570  9211.17    498.142  130.650 6.0885  130.355 3.5282  0.2945557      7.036928  
1 1 1 8   32  15 o 147.923 3.2022  11860.03   513.046  12033.22   1030.78  11802.99   591.521  148.806 6.3955  147.545 3.7015  1.260834       7.389424  
1 1 1 8   32  16 o 180.540 3.6857  17674.43   720.721  17437.18   1443.01  17753.28   831.915  178.970 7.4442  180.904 4.2458  -1.934296      8.569926  
1 1 1 8   32  17 o 299.334 6.1526  48725.98   1994.74  48228.94   3458.93  48973.64   2441.67  296.535 10.769  299.787 7.5198  -3.251434      13.13502  
1 1 1 8   32  18 o 283.778 5.8631  43807.02   1802.09  45136.97   3123.24  43143.28   2206.41  286.812 10.054  281.290 7.2421  5.522400       12.39071  
1 1 1 8   32  19 o 221.081 4.8550  26571.19   1162.55  26368.69   2017.26  26671.88   1422.54  219.372 8.4900  221.289 5.9352  -1.917221      10.35891  
1 1 1 8   32  20 o 36.337  4.9314  731.798    189.068  675.938    315.996  762.946    235.966  34.389  8.5262  36.905  6.1175  -2.516636      10.49376  
1 1 1 8   32  21 o 76.985  3.3900  3220.51    282.668  3342.82    480.476  3155.77    349.562  77.985  5.7285  76.015  4.2629  1.970070       7.140600  
1 1 1 8   32  22 o 62.438  2.7604  2117.68    186.677  2243.18    540.002  2100.65    198.942  63.065  8.0923  62.173  2.9543  0.8926811      8.614669  
1 1 1 8   32  23 o 94.447  3.1309  4854.62    320.275  4716.16    445.019  5003.39    461.293  92.863  4.4245  95.643  4.4530  -2.779984      6.277377  
1 1 1 8   32  24 o 109.886 3.1367  6578.62    373.322  6764.94    521.606  6382.94    534.547  111.130 4.3335  107.877 4.5750  3.253334       6.301567  
1 1 1 8   32  25 o 40.409  4.7607  910.936    204.366  997.705    273.800  801.784    307.090  41.908  6.2209  36.986  7.9054  4.921608       10.05956  
1 1 1 8   32  26 o 43.401  5.8541  1069.03    268.171  1322.22    494.815  963.735    319.098  46.540  10.106  40.583  7.5371  5.957253       12.60700  
1 1 1 8   32  27 o 20.311  7.8937  168.256    249.094  -190.3093  462.155  315.072    295.725  20.637  9.3971  24.427  8.7765  -3.790136      12.85820  
1 1 1 8   32  28 o 78.591  2.7249  3378.32    231.948  2954.00    628.756  3445.16    249.548  70.215  8.4366  79.311  2.9050  -9.096107      8.922710  
1 1 1 8   32  29 o 71.044  3.1057  2777.83    238.977  2645.00    296.206  3025.49    404.472  68.863  3.9884  72.973  5.1506  -4.109688      6.514281  
1 1 1 8   32  30 o 31.490  8.5868  656.440    300.940  183.564    488.942  944.832    381.834  23.663  10.274  37.241  9.4507  -13.57845      13.95937  
1 1 1 8   32  31 o 50.433  8.2996  1682.83    437.586  0.0000     0.0000   1682.83    437.586  ?       ?       50.433  8.2996  0.000000       8.299568  
1 1 1 8   32  32 o 17.250  2.9759  170.535    53.593   0.0000     0.0000   170.535    53.593   ?       ?       17.250  2.9759  0.000000       2.975942  
1 1 1 8   32  33 o 34.968  12.125  1206.54    560.599  0.0000     0.0000   1206.54    560.599  ?       ?       34.968  12.125  0.000000       12.12488  
1 1 1 8   33  0  o 456.984 7.8420  113248.20  3881.49  106733.90  5488.92  119764.00  5489.58  443.308 11.432  469.662 10.792  -26.35425      15.72075  
1 1 1 8   33  1  o 365.298 6.2343  72329.73   2466.64  70609.63   3488.30  74049.94   3488.41  360.762 8.9274  369.461 8.7174  -8.699646      12.47764  
1 1 1 8   33  2  o 278.429 5.6063  42013.80   1690.67  42818.00   2936.18  41614.91   2067.87  280.876 9.6515  277.052 6.8912  3.824799       11.85920  
1 1 1 8   33  3  o 301.285 7.4943  49227.68   2445.58  52635.52   3459.38  45823.05   3457.76  311.348 10.258  290.444 10.992  20.90308       15.03502  
1 1 1 8   33  4  o 331.219 8.1413  59517.89   2920.65  60591.30   4130.97  58445.04   4129.86  333.903 11.422  327.915 11.628  5.988007       16.29979  
1 1 1 8   33  5  o 88.420  2.7722  4234.84    265.490  3755.05    562.850  4372.13    301.089  82.982  6.3096  89.839  3.0943  -6.857208      7.027524  
1 1 1 8   33  6  o 252.673 4.5245  34597.64   1238.23  35943.34   2490.66  34155.85   1427.08  257.292 8.9376  251.025 5.2488  6.265961       10.36484  
1 1 1 8   33  7  o 539.529 9.8331  158201.00  5746.14  137335.20  16432.00 161108.09  6133.38  494.154 30.856  544.349 10.403  -50.19476      32.56218  
1 1 1 8   33  8  o 435.967 7.4560  103170.70  3520.71  101258.50  7048.77  103806.30  4063.96  430.357 15.122  437.143 8.5833  -6.786591      17.38833  
1 1 1 8   33  9  o 116.837 2.9336  7395.71    371.240  6162.05    765.101  7775.59    424.569  106.349 6.6761  119.794 3.2722  -13.44541      7.434918  
1 1 1 8   33  10 f 94.553  2.7597  4843.54    282.618  4331.35    590.067  4996.02    321.948  89.132  6.1498  96.025  3.0955  -6.892693      6.884965  
1 1 1 8   33  11 o 50.093  2.9409  1364.32    158.863  713.375    353.987  1528.48    177.771  35.540  9.1434  53.020  3.1092  -17.48011      9.657573  
1 1 1 8   33  12 o 243.424 4.4866  32132.15   1182.91  32617.13   2372.52  31971.71   1364.62  244.773 8.9491  242.761 5.1900  2.012024       10.34511  
1 1 1 8   33  13 o 358.392 6.2096  69753.02   2410.40  66992.65   4824.37  70671.33   2782.60  349.676 12.738  360.585 7.1248  -10.90894      14.59528  
1 1 1 8   33  14 o 60.219  2.9100  1965.19    189.802  1860.50    394.796  1996.65    216.458  58.176  6.3696  60.604  3.3102  -2.427425      7.178383  
1 1 1 8   33  15 o 119.725 3.0748  7768.94    398.723  7278.53    794.335  7934.12    461.008  115.556 6.3712  120.976 3.5184  -5.419640      7.278125  
1 1 1 8   33  16 o 111.161 2.9804  6697.59    358.834  7184.34    726.797  6540.69    412.633  114.838 5.8628  109.834 3.4686  5.004021       6.812046  
1 1 1 8   33  17 o 67.818  4.5869  2507.97    334.948  2210.04    477.430  2796.73    470.032  63.316  7.0832  71.453  6.1329  -8.136284      9.369341  
1 1 1 8   33  18 o 107.567 2.9891  6273.67    348.253  5425.50    712.388  6540.01    399.205  99.576  6.6434  109.809 3.3565  -10.23241      7.443171  
1 1 1 8   33  19 o 98.595  2.8095  5271.56    300.025  4499.77    634.962  5493.40    340.424  90.596  6.5145  100.632 3.1233  -10.03642      7.224473  
1 1 1 8   33  20 o 132.309 3.6342  9509.06    520.801  9691.87    902.967  9417.94    637.525  133.177 6.2600  131.570 4.4737  1.606659       7.694274  
1 1 1 8   33  21 o 139.129 3.7983  10529.80   572.374  9872.25    955.253  10898.11   714.923  134.118 6.5760  141.380 4.6688  -7.262299      8.064807  
1 1 1 8   33  22 o 82.600  3.5417  3714.16    316.861  4311.21    622.337  3505.22    368.152  88.208  6.5610  80.040  4.2621  8.167992       7.823778  
1 1 1 8   33  23 o 117.835 3.7023  7572.56    472.518  7928.09    840.930  7408.52    571.222  119.525 6.5204  116.348 4.5329  3.177444       7.941208  
1 1 1 8   33  24 o 30.910  7.4407  555.937    246.110  442.994    460.476  601.101    291.190  29.790  10.915  32.034  8.3186  -2.243511      13.72376  
1 1 1 8   33  25 o 58.119  4.6387  1870.45    289.570  1819.47    527.303  1892.46    346.491  55.667  9.0571  58.185  5.5660  -2.518051      10.63072  
1 1 1 8   33  26 o 79.314  4.0149  3466.59    343.780  3195.96    617.241  3588.30    413.924  74.409  7.7736  80.413  4.7739  -6.004395      9.122436  
1 1 1 8   33  27 o 60.836  4.3472  2057.19    284.560  2172.82    455.749  1983.30    364.297  61.330  6.9855  59.161  5.7583  2.169441       9.052930  
1 1 1 8   33  28 o 24.854  8.2836  357.458    261.265  -322.8232  483.409  638.162    310.524  19.733  9.2053  32.139  8.7053  -12.40661      12.66958  
1 1 1 8   33  29 f 15.904  2.5722  141.957    42.795   -116.3443  499.758  143.865    42.952   21.532  9.7921  16.015  2.5627  5.517481       10.12190  
1 1 1 8   33  30 o 32.602  7.7712  684.865    270.533  730.097    517.600  667.864    317.327  31.364  11.560  31.463  8.9085  -0.9888077E-01 14.59458  
1 1 1 8   33  31 o 20.273  8.6947  139.348    341.901  0.0000     0.0000   139.348    341.901  ?       ?       20.273  8.6947  0.000000       8.694736  
1 1 1 8   33  32 o 25.631  10.617  478.023    482.014  0.0000     0.0000   478.023    482.014  ?       ?       25.631  10.617  0.000000       10.61664  
1 1 1 8   33  33 o 21.372  9.7115  169.615    490.326  0.0000     0.0000   169.615    490.326  ?       ?       21.372  9.7115  0.000000       9.711457  
1 1 1 8   34  0  o 230.363 4.6390  28753.28   1157.46  27971.13   1759.94  29349.43   1536.50  227.128 7.1542  232.695 6.0964  -5.567429      9.399367  
1 1 1 8   34  1  o 642.600 12.378  224459.30  8615.17  217949.91  14926.03 227711.41  10549.94 630.740 21.849  646.661 15.063  -15.92108      26.53766  
1 1 1 8   34  2  o 324.010 6.5757  56916.04   2307.64  55098.19   4003.35  57820.62   2824.02  318.424 11.608  326.490 7.9860  -8.065521      14.08954  
1 1 1 8   34  3  o 949.955 22.222  495171.59  22864.45 497254.69  32335.86 493088.59  32334.56 945.684 31.570  941.609 31.705  4.075134       44.74188  
1 1 1 8   34  4  o 469.987 11.191  120052.70  5696.70  117206.80  8056.67  122898.10  8056.02  463.506 16.048  474.708 15.668  -11.20169      22.42871  
1 1 1 8   34  5  o 418.713 7.0344  95092.10   3190.17  101852.00  6389.22  92847.13   3681.98  432.419 13.642  413.624 8.2187  18.79501       15.92630  
1 1 1 8   34  6  o 579.859 11.268  182889.91  7076.92  180069.00  12262.88 184298.59  8665.56  572.771 19.767  581.463 13.760  -8.691956      24.08446  
1 1 1 8   34  7  o 256.828 4.6628  35751.23   1297.05  36873.43   2607.02  35382.08   1495.25  260.504 9.2397  255.461 5.4040  5.043533       10.70403  
1 1 1 8   34  8  o 70.069  2.6688  2659.65    202.542  2334.15    452.903  2741.02    226.448  65.270  6.4927  71.130  2.9393  -5.860298      7.127049  
1 1 1 8   34  9  o 84.211  2.7387  3841.85    249.795  2171.82    532.415  4313.22    282.859  62.722  8.0209  89.225  2.9269  -26.50359      8.538267  
1 1 1 8   34  10 o 164.821 3.3726  14720.84   602.062  16027.74   1220.45  14300.51   692.143  171.834 6.5575  162.432 3.9342  9.401260       7.647156  
1 1 1 8   34  11 o 266.917 4.8380  38637.68   1398.66  37712.55   2804.98  38943.82   1613.56  263.117 9.8426  267.912 5.5606  -4.794861      11.30477  
1 1 1 8   34  12 o 85.353  2.7290  3947.23    252.285  4180.67    524.611  3877.00    287.741  87.596  5.5582  84.583  3.1409  3.013138       6.384265  
1 1 1 8   34  13 o 301.408 5.3191  49300.41   1736.44  50086.90   3477.75  49039.23   2004.14  302.871 10.602  300.503 6.1576  2.368530       12.26006  
1 1 1 8   34  14 o 99.819  2.8431  5399.44    307.378  3975.83    620.570  5862.25    353.832  85.260  6.7760  104.002 3.1411  -18.74177      7.468643  
1 1 1 8   34  15 f 178.104 3.7330  17199.60   720.124  18031.85   1374.46  16884.70   845.455  182.086 6.9692  176.423 4.4245  5.663559       8.255093  
1 1 1 8   34  16 o 92.217  2.9879  4609.48    298.435  4762.26    598.331  4558.89    344.323  93.422  5.9441  91.695  3.4670  1.726837       6.881269  
1 1 1 8   34  17 o 287.419 7.2610  45007.96   2260.38  46334.60   3198.50  43684.39   3194.81  290.789 10.155  282.254 10.450  8.535858       14.57205  
1 1 1 8   34  18 f 30.010  5.5012  505.098    172.224  371.613    355.866  545.925    196.806  27.600  9.6553  31.144  6.0524  -3.544149      11.39543  
1 1 1 8   34  19 f 116.643 3.0922  7380.83    390.654  7756.51    780.895  7255.43    451.168  119.130 6.0722  115.612 3.6030  3.518074       7.060649  
1 1 1 8   34  20 o 119.455 3.0711  7745.47    397.342  8043.68    785.380  7642.88    460.644  121.346 5.9756  118.612 3.5856  2.734230       6.968838  
1 1 1 8   34  21 o 102.432 2.9904  5698.74    331.772  4949.25    642.964  5970.71    387.320  94.783  6.2989  104.801 3.4122  -10.01812      7.163749  
1 1 1 8   34  22 o 161.271 3.4771  14158.16   607.354  15237.33   1232.10  13811.75   698.059  166.072 6.8498  159.139 4.0499  6.932251       7.957512  
1 1 1 8   34  23 o 145.661 3.4298  11561.29   541.106  12501.72   1079.24  11245.51   625.390  150.210 6.6336  143.492 4.0239  6.717239       7.758698  
1 1 1 8   34  24 f 34.895  1.9962  663.267    75.130   637.518    467.441  663.950    76.120   33.412  11.077  34.910  2.0218  -1.497604      11.26041  
1 1 1 8   34  25 o 31.742  6.7205  584.531    223.854  424.336    466.842  632.362    255.092  29.295  10.943  32.884  7.3472  -3.589352      13.18074  
1 1 1 8   34  26 o 38.982  1.4992  824.704    63.300   193.511    476.349  836.050    63.866   25.617  10.578  39.249  1.5024  -13.63195      10.68402  
1 1 1 8   34  27 o 19.293  1.5511  203.439    32.138   158.281    461.919  203.659    32.216   24.578  10.304  19.303  1.5541  5.274614       10.42006  
1 1 1 8   34  28 o 66.551  3.8531  2455.13    276.550  3005.73    582.650  2295.01    314.197  71.370  7.6570  64.042  4.5595  7.328018       8.911734  
1 1 1 8   34  29 o 19.041  7.5813  143.816    234.647  51.108     484.717  172.191    268.162  22.873  10.073  20.362  8.1054  2.511154       12.92902  
1 1 1 8   34  30 o 18.500  1.6444  188.121    32.607   -619.6619  496.288  191.623    32.677   17.003  8.2911  18.675  1.6319  -1.672522      8.450222  
1 1 1 8   34  31 o 30.546  10.978  730.155    462.692  0.0000     0.0000   730.155    462.692  ?       ?       30.546  10.978  0.000000       10.97771  
1 1 1 8   34  32 o 25.384  10.616  463.427    488.651  0.0000     0.0000   463.427    488.651  ?       ?       25.384  10.616  0.000000       10.61624  
1 1 1 8   34  33 o 22.001  9.5556  281.849    423.262  0.0000     0.0000   281.849    423.262  ?       ?       22.001  9.5556  0.000000       9.555599  
1 1 1 8   35  0  o 520.207 9.2392  146871.80  5205.69  140343.20  8075.78  151513.09  6809.14  507.671 14.687  527.983 11.907  -20.31216      18.90722  
1 1 1 8   35  1  o 285.463 5.3450  44163.46   1652.61  43396.75   2337.21  44930.11   2337.09  282.865 7.6287  287.826 7.4968  -4.961395      10.69571  
1 1 1 8   35  2  o 424.921 8.7093  97982.05   4008.29  99877.62   6948.28  97036.60   4907.12  428.153 14.983  422.643 10.720  5.510040       18.42314  
1 1 1 8   35  3  o 105.755 3.2120  6058.54    367.913  5713.38    656.503  6216.57    444.225  102.490 5.9395  107.118 3.8288  -4.628502      7.066677  
1 1 1 8   35  4  o 166.899 3.3697  15090.37   609.131  14922.29   1235.29  15144.38   700.177  165.876 6.8756  167.189 3.8666  -1.312271      7.888294  
1 1 1 8   35  5  o 85.781  2.4609  3985.77    228.641  4796.45    494.556  3765.39    257.852  93.947  4.8770  83.373  2.8554  10.57427       5.651471  
1 1 1 8   35  6  o 212.957 4.2677  24576.30   984.358  24182.73   2526.08  24646.76   1068.85  210.546 11.117  213.250 4.6276  -2.703278      12.04130  
1 1 1 8   35  7  o 249.711 4.6279  33798.63   1251.68  32830.43   2515.33  34117.30   1443.03  245.764 9.4494  250.850 5.3112  -5.085968      10.83977  
1 1 1 8   35  8  o 261.070 4.7281  36949.12   1336.93  37568.96   2685.34  36744.85   1541.57  262.845 9.4326  260.302 5.4678  2.543121       10.90277  
1 1 1 8   35  9  o 210.906 4.0444  24109.05   923.880  23767.96   1860.08  24220.76   1064.46  209.136 8.2117  211.365 4.6497  -2.229431      9.436745  
1 1 1 8   35  10 o 176.834 3.5398  16946.41   677.986  17302.83   1370.78  16830.99   780.083  178.496 7.0904  176.210 4.0873  2.285355       8.184107  
1 1 1 8   35  11 o 203.101 3.8989  22360.44   857.687  23432.22   1727.38  22009.75   988.092  207.626 7.6813  201.469 4.5281  6.157700       8.916643  
1 1 1 8   35  12 o 394.711 6.7984  84640.43   2906.41  83310.24   5818.21  85082.73   3354.99  389.682 13.785  395.537 7.8313  -5.854919      15.85427  
1 1 1 8   35  13 o 212.871 3.9730  24568.90   916.018  24852.98   1839.33  24475.20   1056.33  213.721 7.9459  212.423 4.5912  1.297791       9.176975  
1 1 1 8   35  14 o 198.168 4.0211  21294.99   863.073  21212.51   1637.57  21326.71   1015.57  197.443 7.6575  198.265 4.7293  -0.8224945     9.000220  
1 1 1 8   35  15 o 117.306 2.9664  7458.00    376.897  7567.66    758.648  7422.07    434.280  117.873 5.9617  117.007 3.4268  0.8662872      6.876358  
1 1 1 8   35  16 o 298.383 5.3137  48356.93   1717.28  46573.02   3436.96  48950.47   1982.49  291.468 10.887  300.069 6.0999  -8.600739      12.47948  
1 1 1 8   35  17 o 396.081 11.362  86261.54   4874.29  86700.32   5846.98  85261.88   8825.39  395.771 13.640  386.139 21.183  9.631287       25.19443  
1 1 1 8   35  18 o 244.628 4.5204  32505.05   1197.72  34834.64   2398.98  31731.57   1382.33  252.200 8.7824  241.568 5.2833  10.63199       10.24904  
1 1 1 8   35  19 o 102.376 3.0136  5685.68    334.159  5568.75    669.508  5724.47    385.626  100.859 6.1583  102.696 3.4669  -1.837280      7.067091  
1 1 1 8   35  20 o 12.111  5.4463  -73.4628   149.518  -57.3238   300.418  -78.7769   172.385  18.329  8.0041  13.098  5.8722  5.231133       9.927174  
1 1 1 8   35  21 o 119.733 3.0718  7788.92    398.367  6819.97    785.618  8124.29    462.195  111.216 6.5508  122.226 3.4913  -11.00965      7.423129  
1 1 1 8   35  22 o 109.937 2.9730  6570.94    354.005  7492.76    773.163  6326.44    398.196  116.496 6.1494  107.805 3.4103  8.690720       7.031692  
1 1 1 8   35  23 o 74.950  3.4438  3061.57    279.559  3589.18    586.060  2906.15    318.080  80.146  6.8161  72.825  4.0486  7.320885       7.927812  
1 1 1 8   35  24 o 102.116 3.2165  5686.38    355.750  5531.93    731.092  5734.29    407.212  99.308  6.8387  102.439 3.6702  -3.131020      7.761333  
1 1 1 8   35  25 o 49.907  4.5262  1381.50    241.999  2066.27    506.448  1178.88    275.485  59.808  8.0202  45.749  5.6820  14.05868       9.828976  
1 1 1 8   35  26 o 67.032  3.8137  2475.97    275.737  1678.38    565.619  2724.61    315.805  52.276  10.356  70.211  4.1716  -17.93458      11.16442  
1 1 1 8   35  27 o 23.375  7.7072  309.729    226.395  689.916    473.836  197.264    257.715  33.368  11.156  21.082  8.0727  12.28635       13.77055  
1 1 1 8   35  28 o 31.597  1.4613  542.280    50.010   304.546    71.656   768.044    69.829   23.406  2.8877  37.582  1.7155  -14.17514      3.358855  
1 1 1 8   35  29 o 51.420  4.6792  1502.14    257.750  1681.40    546.266  1450.80    292.338  50.265  10.378  50.103  5.4763  0.1629524      11.73392  
1 1 1 8   35  30 o 79.880  3.1891  3551.30    275.917  3300.95    373.380  3852.49    409.532  75.833  4.5672  81.870  4.6374  -6.037186      6.508866  
1 1 1 8   35  31 o 25.933  10.443  453.987    450.572  0.0000     0.0000   453.987    450.572  ?       ?       25.933  10.443  0.000000       10.44326  
1 1 1 8   35  32 o 30.572  11.635  842.047    533.351  0.0000     0.0000   842.047    533.351  ?       ?       30.572  11.635  0.000000       11.63534  
1 1 1 8   35  33 o 18.649  8.8498  -140.1568  481.929  0.0000     0.0000   -140.1568  481.929  ?       ?       18.649  8.8498  0.000000       8.849796  
1 1 1 8   36  0  o 434.850 8.1257  102588.70  3827.11  100977.90  5926.19  103741.10  5012.52  430.865 12.699  437.011 10.590  -6.146545      16.53503  
1 1 1 8   36  1  o 202.958 4.2460  22318.79   933.375  22361.84   1410.31  22285.24   1245.06  203.089 6.4115  202.766 5.6693  0.3229065      8.558481  
1 1 1 8   36  2  o 352.809 6.2205  67484.65   2377.02  66500.65   3361.70  68468.55   3361.53  350.027 8.8672  355.179 8.7381  -5.152863      12.44921  
1 1 1 8   36  3  o 364.575 6.8017  72081.43   2685.78  74697.53   4658.72  70779.10   3287.00  370.635 11.605  361.133 8.4035  9.502014       14.32825  
1 1 1 8   36  4  f 321.874 5.4384  56160.41   1895.94  59393.59   3802.39  55090.61   2187.23  330.563 10.620  318.739 6.3356  11.82413       12.36640  
1 1 1 8   36  5  o 240.857 4.2169  31436.46   1100.07  34645.69   2212.95  30383.13   1267.81  252.639 8.0873  236.760 4.9440  15.87941       9.478759  
1 1 1 8   36  6  o 310.002 5.4057  52103.50   1815.05  49701.77   3639.65  52898.49   2094.01  302.214 11.119  312.302 6.1906  -10.08856      12.72640  
1 1 1 8   36  7  f 183.593 4.3228  18268.66   859.598  17231.94   1501.32  18774.28   1048.47  178.145 7.7809  186.082 5.2021  -7.937546      9.359729  
1 1 1 8   36  8  o 294.641 5.1291  47073.66   1636.83  50792.04   3285.14  45845.71   1887.86  305.523 9.9275  290.704 5.9958  14.81863       11.59762  
1 1 1 8   36  9  o 41.501  3.0264  938.135    135.097  120.784    336.490  1095.20    147.508  22.415  9.0255  44.856  3.0544  -22.44020      9.528308  
1 1 1 8   36  10 o 97.071  2.6805  5105.10    281.824  5213.51    593.849  5073.59    320.176  97.866  5.6261  96.765  3.0549  1.100723       6.401967  
1 1 1 8   36  11 o 27.626  3.7947  421.454    110.548  460.401    288.349  414.744    119.693  28.908  8.5850  27.346  4.1733  1.561525       9.545627  
1 1 1 8   36  12 o 323.724 6.0899  56900.94   2135.28  55053.20   3978.34  57648.61   2530.68  317.349 11.574  325.679 7.1742  -8.330902      13.61745  
1 1 1 8   36  13 o 246.266 4.4688  32893.25   1191.97  31694.96   2390.52  33289.74   1375.10  241.155 9.1522  247.686 5.1258  -6.531372      10.48988  
1 1 1 8   36  14 o 188.712 3.7032  19307.72   756.912  20510.65   1522.84  18913.04   872.291  194.191 7.2403  186.735 4.3129  7.455521       8.427499  
1 1 1 8   36  15 o 41.459  1.5972  931.079    71.721   80.821     332.383  972.600    73.451   21.585  8.8657  42.374  1.6004  -20.78872      9.009011  
1 1 1 8   36  16 f 282.893 5.0594  43457.61   1550.20  39490.43   3099.90  44780.57   1790.11  268.418 10.663  287.051 5.7577  -18.63303      12.11792  
1 1 1 8   36  17 o 49.692  5.4584  1358.21    288.936  1382.88    415.296  1335.07    402.252  49.727  7.9807  48.861  7.8680  0.8657227      11.20697  
1 1 1 8   36  18 o 188.372 3.7748  19258.46   770.157  17710.31   1539.00  19775.68   889.554  179.979 7.8949  190.822 4.3040  -10.84300      8.991894  
1 1 1 8   36  19 o 113.745 3.0250  7019.44    372.673  6937.43    749.309  7046.40    429.571  112.588 6.1682  113.929 3.4812  -1.341705      7.082733  
1 1 1 8   36  20 o 98.236  3.0161  5238.94    320.910  5323.94    641.044  5210.51    370.704  98.489  6.0385  97.928  3.4950  0.5611496      6.977012  
1 1 1 8   36  21 o 73.870  2.6894  2962.84    215.173  4484.25    552.365  2690.67    233.629  90.301  5.6765  70.368  3.0654  19.93314       6.451253  
1 1 1 8   36  22 o 77.760  3.2733  3290.76    275.690  2976.24    581.711  3381.87    313.084  72.849  7.4786  78.780  3.6692  -5.931404      8.330256  
1 1 1 8   36  23 o 121.540 3.2269  8046.10    424.792  9196.81    869.080  7684.88    486.921  128.936 6.2232  118.651 3.7889  10.28445       7.285914  
1 1 1 8   36  24 o 82.502  3.2768  3713.36    292.811  4063.94    625.438  3614.94    331.369  85.018  6.8502  81.307  3.7628  3.711411       7.815609  
1 1 1 8   36  25 o 39.460  1.7443  845.367    74.550   133.790    486.167  862.502    75.442   25.201  10.568  39.858  1.7475  -14.65713      10.71143  
1 1 1 8   36  26 o 44.415  5.0780  1109.31    239.893  1160.71    499.916  1093.93    273.432  43.052  10.753  43.821  5.9119  -0.7686119     12.27079  
1 1 1 8   36  27 o 32.244  6.8735  615.394    232.713  1045.18    487.477  488.540    264.839  40.336  10.900  28.471  8.1648  11.86483       13.61853  
1 1 1 8   36  28 o 50.594  4.7800  1443.62    258.832  1460.86    534.016  1438.32    295.914  47.476  10.648  50.165  5.5385  -2.689758      12.00200  
1 1 1 8   36  29 o 21.894  7.8813  268.739    238.577  684.581    495.853  143.471    272.149  31.696  11.367  19.762  8.0586  11.93446       13.93386  
1 1 1 8   36  30 o 52.692  5.2036  1628.49    293.094  1914.07    567.630  1524.68    342.247  51.706  10.494  49.960  6.4773  1.746948       12.33221  
1 1 1 8   36  31 o 21.492  9.5197  131.137    439.142  0.0000     0.0000   131.137    439.142  ?       ?       21.492  9.5197  0.000000       9.519717  
1 1 1 8   36  32 f 26.401  10.815  549.195    493.004  0.0000     0.0000   549.195    493.004  ?       ?       26.401  10.815  0.000000       10.81521  
1 1 1 8   36  33 o 22.652  10.217  269.364    530.864  0.0000     0.0000   269.364    530.864  ?       ?       22.652  10.217  0.000000       10.21723  
1 1 1 8   37  0  f 94.146  2.3919  4800.78    243.899  4684.85    328.652  4942.90    363.883  92.995  3.2629  95.520  3.5172  -2.524368      4.797644  
1 1 1 8   37  1  o 224.285 4.3650  27257.57   1060.36  26088.82   1499.94  28425.20   1499.22  219.357 6.3132  228.979 6.0450  -9.622879      8.740664  
1 1 1 8   37  2  o 501.553 8.3937  136525.80  4559.74  131739.70  6448.31  141312.30  6448.58  492.111 12.098  509.754 11.680  -17.64328      16.81599  
1 1 1 8   37  3  o 374.591 8.6357  76173.45   3503.69  58867.60   8255.89  79974.97   3869.42  325.982 23.541  383.750 9.3095  -57.76761      25.31524  
1 1 1 8   37  4  o 103.596 3.1988  5814.09    358.921  5863.83    641.401  5791.42    433.077  103.840 5.7250  103.385 3.8675  0.4545822      6.908960  
1 1 1 8   37  5  o 300.338 5.1506  48898.59   1675.48  51777.35   3361.52  47947.00   1932.66  308.616 10.057  297.348 6.0010  11.26862       11.71089  
1 1 1 8   37  6  o 232.258 4.1308  29234.16   1039.16  30991.10   2090.50  28657.55   1197.59  238.896 8.0793  229.927 4.8089  8.968567       9.402146  
1 1 1 8   37  7  o 92.886  2.4972  4673.73    251.234  5279.77    464.092  4422.51    298.803  98.696  4.3415  90.349  3.0535  8.347305       5.307722  
1 1 1 8   37  8  o 74.736  2.5700  3025.83    208.033  2742.65    429.112  3112.84    237.854  70.885  5.6356  75.800  2.8972  -4.914169      6.336719  
1 1 1 8   37  9  o 426.461 7.2509  98773.47   3349.19  99129.66   6706.15  98655.11   3865.82  425.394 14.555  426.002 8.3784  -0.6078796     16.79419  
1 1 1 8   37  10 o 313.057 5.5355  53172.94   1876.93  53109.61   3762.80  53193.91   2165.57  311.992 11.135  313.022 6.3874  -1.030487      12.83712  
1 1 1 8   37  11 o 72.403  2.5892  2840.15    203.041  3361.70    445.291  2703.25    228.138  78.541  5.2650  70.631  2.9822  7.909508       6.050936  
1 1 1 8   37  12 o 61.950  2.7273  2079.46    182.997  2275.85    403.686  2028.66    205.303  64.485  5.8433  61.104  3.1124  3.380699       6.620512  
1 1 1 8   37  13 o 217.107 4.1405  25560.40   973.646  24701.61   1955.50  25843.47   1122.70  212.977 8.4772  218.260 4.7492  -5.283096      9.716899  
1 1 1 8   37  14 o 51.026  2.2718  1410.65    125.557  1552.06    388.235  1394.13    132.687  52.982  6.9316  50.725  2.4151  2.256958       7.340303  
1 1 1 8   37  15 o 204.620 3.9228  22707.86   869.389  23261.04   1745.80  22525.43   1002.54  206.650 7.7999  203.746 4.5430  2.904617       9.026458  
1 1 1 8   37  16 o 213.498 4.0536  24728.69   937.344  25883.79   1877.63  24345.27   1081.79  217.874 7.9567  211.769 4.7164  6.104691       9.249516  
1 1 1 8   37  17 o 186.949 5.3043  18996.59   1074.05  19441.25   1519.94  18553.12   1517.93  188.792 7.4332  184.399 7.6002  4.392624       10.63082  
1 1 1 8   37  18 o 231.410 4.2673  29085.92   1069.57  30412.45   2139.32  28643.85   1234.99  235.638 8.3822  229.524 4.9678  6.114197       9.743763  
1 1 1 8   37  19 o 85.799  3.0519  3994.55    283.609  3769.33    560.760  4071.95    328.755  82.844  6.2967  86.598  3.5050  -3.754967      7.206475  
1 1 1 8   37  20 o 113.488 2.9877  6992.74    367.251  6798.77    734.992  7057.28    423.971  111.290 6.1211  113.964 3.4348  -2.674873      7.018949  
1 1 1 8   37  21 o 46.171  4.1520  1171.24    205.413  1180.37    452.456  1168.87    230.541  45.115  9.5567  46.033  4.6894  -0.9183769     10.64524  
1 1 1 8   37  22 o 85.408  2.7520  3964.60    254.574  3764.43    600.087  4008.54    281.124  82.211  6.8004  85.848  3.0234  -3.637054      7.442173  
1 1 1 8   37  23 o 43.431  1.9018  1023.64    89.462   723.339    464.087  1035.23    91.172   35.238  10.979  43.675  1.9273  -8.436932      11.14646  
1 1 1 8   37  24 o 47.038  4.4200  1224.81    222.546  1633.51    507.084  1127.31    247.673  52.740  9.2124  44.923  5.1854  7.816185       10.57153  
1 1 1 8   37  25 o 73.043  3.6259  2921.53    286.858  3464.83    596.634  2758.19    327.152  78.037  7.1380  70.692  4.2931  7.345032       8.329530  
1 1 1 8   37  26 o 28.832  6.9601  490.447    214.874  872.099    480.065  394.831    240.288  37.286  11.078  25.980  7.8647  11.30581       13.58599  
1 1 1 8   37  27 o 29.876  2.0876  488.340    67.127   542.600    486.376  487.286    67.775   30.672  11.221  29.840  2.1106  0.8314400      11.41781  
1 1 1 8   37  28 o 29.641  7.4356  534.020    238.308  758.972    493.209  465.507    272.190  34.065  11.382  27.598  8.3740  6.466722       14.13062  
1 1 1 8   37  29 o 42.880  5.6407  1076.60    255.614  1513.22    536.494  948.376    290.734  46.780  10.806  39.391  7.0744  7.389282       12.91587  
1 1 1 8   37  30 o 49.968  6.7274  1540.14    354.839  0.0000     0.0000   1540.14    354.839  ?       ?       49.968  6.7274  0.000000       6.727407  
1 1 1 8   37  31 o 27.658  10.439  570.753    427.060  0.0000     0.0000   570.753    427.060  ?       ?       27.658  10.439  0.000000       10.43903  
1 1 1 8   37  32 o 38.008  11.132  1219.57    487.681  0.0000     0.0000   1219.57    487.681  ?       ?       38.008  11.132  0.000000       11.13207  
1 1 1 8   37  33 o 21.284  9.8179  121.298    526.776  0.0000     0.0000   121.298    526.776  ?       ?       21.284  9.8179  0.000000       9.817900  
1 1 1 8   38  0  o 122.821 2.7932  8171.35    371.578  8277.40    525.276  8065.12    525.706  123.601 3.9237  122.005 3.9783  1.596062       5.587659  
1 1 1 8   38  1  o 256.988 4.5320  35788.88   1261.45  37314.69   1784.67  34265.46   1783.27  262.330 6.2811  251.370 6.5499  10.96049       9.074890  
1 1 1 8   38  2  o 231.010 4.2591  28917.53   1065.66  28807.01   1507.22  29028.01   1506.91  230.499 6.0372  231.382 6.0129  -0.8835754     8.520781  
1 1 1 8   38  3  f 520.955 8.6678  147357.91  4890.79  150852.80  6917.13  143864.00  6916.10  526.439 12.131  514.036 12.422  12.40271       17.36316  
1 1 1 8   38  4  o 229.558 4.8195  28562.73   1198.30  29481.95   2084.33  28108.91   1464.53  233.027 8.2583  227.676 5.9390  5.351547       10.17204  
1 1 1 8   38  5  o 296.964 5.0934  47808.32   1638.25  49739.06   3286.95  47170.17   1889.69  302.446 10.034  294.922 5.9158  7.523987       11.64812  
1 1 1 8   38  6  o 271.696 4.8613  40018.49   1430.56  38314.61   2870.63  40581.45   1650.05  265.404 9.9862  273.556 5.5690  -8.151855      11.43408  
1 1 1 8   38  7  o 457.651 7.7616  113753.90  3847.29  108450.50  7702.31  115517.00  4440.98  444.776 15.989  460.975 8.8947  -16.19977      18.29618  
1 1 1 8   38  8  o 253.152 4.6526  34744.73   1275.70  32724.72   2562.61  35410.26   1470.92  245.229 9.6481  255.521 5.3149  -10.29184      11.01512  
1 1 1 8   38  9  o 63.161  2.6380  2161.30    180.466  1782.95    414.618  2249.73    200.449  56.893  6.8674  64.438  2.8720  -7.544941      7.443759  
1 1 1 8   38  10 o 340.249 6.3196  62851.11   2328.92  52262.79   6438.74  64444.89   2498.05  306.466 19.499  344.483 6.6952  -38.01694      20.61639  
1 1 1 8   38  11 o 126.325 3.0162  8647.39    412.689  7875.56    850.032  8885.43    472.056  120.240 6.5517  128.041 3.4039  -7.800537      7.383204  
1 1 1 8   38  12 o 397.306 7.3370  85821.28   3157.31  80434.95   5860.23  88024.22   3747.75  382.608 14.141  402.078 8.6058  -19.46933      16.55406  
1 1 1 8   38  13 o 145.328 3.2121  11447.11   505.598  10667.61   1027.14  11696.38   580.840  140.097 6.7691  146.885 3.6510  -6.788101      7.690918  
1 1 1 8   38  14 o 479.030 8.1022  124977.60  4203.75  123228.80  8411.90  125559.70  4853.23  471.503 16.472  479.698 9.3410  -8.195160      18.93601  
1 1 1 8   38  15 o 97.572  3.2975  5161.23    348.482  5690.47    614.553  4910.40    423.078  102.200 5.5729  95.143  4.1056  7.056847       6.921902  
1 1 1 8   38  16 o 302.849 5.3632  49829.47   1759.21  47542.58   3518.96  50591.46   2031.25  294.296 11.040  305.002 6.1488  -10.70642      12.63661  
1 1 1 8   38  17 o 70.621  4.3917  2718.29    334.256  2815.18    467.036  2616.56    478.595  71.668  6.0738  69.015  6.4784  2.652573       8.880339  
1 1 1 8   38  18 o 195.627 4.0154  20782.44   850.793  19995.24   1615.69  21084.46   1000.79  191.156 7.8037  196.944 4.6917  -5.788315      9.105463  
1 1 1 8   38  19 f 220.678 4.1484  26476.41   991.547  25106.76   1983.50  26932.70   1144.86  213.532 8.5763  222.436 4.7520  -8.903732      9.804828  
1 1 1 8   38  20 o 157.948 3.4322  13558.52   587.160  13045.90   1167.12  13732.23   679.396  154.072 6.9940  158.865 3.9484  -4.792633      8.031536  
1 1 1 8   38  21 o 107.697 3.0432  6304.42    354.982  5513.99    746.129  6535.69    403.585  99.721  6.9516  109.604 3.3997  -9.883209      7.738336  
1 1 1 8   38  22 o 82.080  3.2413  3667.31    288.159  3924.17    587.918  3586.10    330.592  84.019  6.5114  81.094  3.7639  2.925003       7.520985  
1 1 1 8   38  23 o 73.048  3.3921  2909.48    268.378  2846.62    567.606  2927.57    304.575  70.973  7.4974  73.103  3.8604  -2.130157      8.432854  
1 1 1 8   38  24 o 68.393  3.5679  2562.99    263.381  2289.02    566.311  2638.61    297.515  62.919  8.5300  69.300  3.9804  -6.381710      9.413032  
1 1 1 8   38  25 o 69.406  3.5742  2644.54    267.778  3442.56    572.867  2421.43    302.907  77.884  6.8611  66.220  4.2457  11.66438       8.068450  
1 1 1 8   38  26 o 21.459  7.2852  249.594    202.090  793.267    474.937  129.394    223.315  35.670  11.105  18.844  7.4296  16.82668       13.36113  
1 1 1 8   38  27 o 31.747  6.9938  599.392    233.991  876.576    493.285  518.914    265.798  36.838  11.293  29.267  8.1066  7.570740       13.90113  
1 1 1 8   38  28 o 29.176  7.1946  516.241    225.919  484.609    491.502  524.715    254.385  29.181  11.154  29.220  7.8644  -0.3935623E-01 13.64799  
1 1 1 8   38  29 o 38.991  1.4928  827.383    63.042   308.879    513.450  835.320    63.523   25.812  10.844  39.177  1.4970  -13.36531      10.94694  
1 1 1 8   38  30 o 63.232  5.4975  2362.91    372.760  0.0000     0.0000   2362.91    372.760  ?       ?       63.232  5.4975  0.000000       5.497511  
1 1 1 8   38  31 o 17.194  8.2114  -306.7088  428.493  0.0000     0.0000   -306.7088  428.493  ?       ?       17.194  8.2114  0.000000       8.211393  
1 1 1 8   38  32 o 25.891  10.271  520.238    429.231  0.0000     0.0000   520.238    429.231  ?       ?       25.891  10.271  0.000000       10.27098  
1 1 1 8   38  33 o 17.799  8.5466  -255.3186  478.212  0.0000     0.0000   -255.3186  478.212  ?       ?       17.799  8.5466  0.000000       8.546614  
1 1 1 8   39  0  o 352.232 6.2773  67277.12   2394.81  67726.55   3387.05  66827.84   3386.49  353.177 8.8544  350.819 8.9124  2.357086       12.56313  
1 1 1 8   39  1  o 202.242 4.0231  22162.60   881.253  21584.52   1246.48  22740.29   1246.08  199.529 5.7678  204.807 5.6173  -5.278320      8.051216  
1 1 1 8   39  2  o 528.726 9.7331  151899.20  5573.80  147198.09  8650.02  155237.00  7288.73  519.183 15.382  533.901 12.604  -14.71753      19.88696  
1 1 1 8   39  3  o 56.401  2.7618  1723.22    168.716  1835.24    239.505  1612.87    237.706  58.072  3.8293  54.405  4.0633  3.666840       5.583381  
1 1 1 8   39  4  o 402.927 7.3813  88111.32   3221.26  98891.98   5587.25  82743.70   3942.45  426.087 12.107  390.209 9.3282  35.87805       15.28367  
1 1 1 8   39  5  o 470.740 8.5101  120378.80  4338.98  118359.40  12316.46 120665.00  4636.21  460.858 24.765  471.197 9.0843  -10.33929      26.37887  
1 1 1 8   39  6  o 215.905 3.8625  25261.95   903.246  25995.24   1819.04  25021.98   1040.60  218.793 7.6761  214.852 4.4717  3.941345       8.883584  
1 1 1 8   39  7  o 254.908 4.4225  35223.41   1221.03  40974.51   2457.88  33339.03   1406.92  274.600 8.2640  247.948 5.2389  26.65207       9.784652  
1 1 1 8   39  8  o 151.363 3.1902  12414.18   523.010  12525.95   1067.48  12378.87   599.954  151.913 6.4877  151.135 3.6651  0.7786713      7.451412  
1 1 1 8   39  9  o 218.009 4.1860  25765.49   988.433  24279.93   1989.97  26252.05   1138.85  211.270 8.6964  220.024 4.7789  -8.753784      9.922956  
1 1 1 8   39  10 o 120.209 2.9269  7829.87    381.077  7243.04    788.077  8008.96    435.359  115.328 6.3333  121.567 3.3064  -6.238953      7.144441  
1 1 1 8   39  11 o 195.804 3.7612  20782.91   797.668  21876.53   1609.44  20426.80   918.401  200.608 7.4073  194.086 4.3689  6.521881       8.599673  
1 1 1 8   39  12 o 129.512 2.9859  9089.74    418.846  9083.79    859.604  9091.59    479.634  129.332 6.1365  129.512 3.4192  -0.1803894     7.024826  
1 1 1 8   39  13 o 362.679 6.2706  71459.34   2463.21  68837.02   4932.84  72330.41   2843.03  354.173 12.859  364.700 7.1974  -10.52661      14.73634  
1 1 1 8   39  14 o 213.285 4.2332  24674.87   977.921  24152.37   1853.42  24876.45   1151.21  210.565 8.1268  214.091 4.9646  -3.526001      9.523238  
1 1 1 8   39  15 o 316.290 5.5329  54346.34   1895.42  55098.02   3796.72  54096.81   2187.52  316.991 11.058  315.396 6.4036  1.594727       12.77865  
1 1 1 8   39  16 o 164.665 3.4713  14704.64   619.109  14268.95   1240.45  14849.17   714.457  161.849 7.0762  165.436 3.9873  -3.586105      8.122251  
1 1 1 8   39  17 o 119.844 4.3247  7798.76    561.358  7576.07    791.231  8024.46    796.557  117.792 6.2239  121.411 6.0574  -3.619415      8.684994  
1 1 1 8   39  18 o 80.284  3.0654  3496.57    266.553  2795.04    535.658  3727.46    307.303  71.184  7.0399  82.875  3.4235  -11.69141      7.828181  
1 1 1 8   39  19 o 15.998  6.3280  76.430     162.489  280.690    390.057  33.541     178.736  26.313  9.9656  15.582  6.4605  10.73089       11.87652  
1 1 1 8   39  20 o 160.216 3.4807  13955.36   604.007  13980.24   1156.59  13946.03   708.261  159.526 6.6939  160.045 4.0858  -0.5191803     7.842301  
1 1 1 8   39  21 o 55.913  3.7856  1710.74    227.901  1887.13    478.237  1658.91    259.229  57.814  7.8395  54.956  4.3918  2.857933       8.985855  
1 1 1 8   39  22 o 20.368  6.9817  212.317    185.622  -187.9239  403.904  319.484    209.001  19.686  8.8928  23.927  7.3532  -4.241013      11.53914  
1 1 1 8   39  23 o 50.091  2.4531  1363.85    133.089  1820.71    468.636  1323.77    138.805  56.434  7.8821  49.269  2.6104  7.164513       8.303152  
1 1 1 8   39  24 o 32.028  0.9795  555.917    33.980   -469.6051  430.084  562.358    34.087   17.660  8.3747  32.213  0.9770  -14.55280      8.431471  
1 1 1 8   39  25 o 47.176  1.9521  1209.36    99.744   1398.89    496.910  1201.40    101.816  48.054  9.8773  47.016  1.9994  1.038048       10.07763  
1 1 1 8   39  26 o 34.587  1.9076  652.340    71.186   564.039    485.492  654.280    71.964   31.355  11.247  34.636  1.9259  -3.280855      11.41113  
1 1 1 8   39  27 f 36.774  1.5797  734.687    62.918   1099.62    492.404  728.630    63.438   41.277  10.865  36.620  1.5994  4.656757       10.98250  
1 1 1 8   39  28 o 49.427  5.0290  1389.42    265.476  1167.15    531.579  1463.27    306.425  41.406  11.463  50.395  5.7149  -8.989017      12.80828  
1 1 1 8   39  29 o 36.397  6.7329  810.816    255.644  874.196    518.227  790.432    293.892  34.293  11.666  35.190  7.9040  -0.8967400     14.09148  
1 1 1 8   39  30 o 40.262  9.5160  1134.17    408.406  0.0000     0.0000   1134.17    408.406  ?       ?       40.262  9.5160  0.000000       9.516001  
1 1 1 8   39  31 o 24.469  10.065  380.700    429.197  0.0000     0.0000   380.700    429.197  ?       ?       24.469  10.065  0.000000       10.06516  
1 1 1 8   39  32 o 60.475  7.7603  2463.51    496.580  0.0000     0.0000   2463.51    496.580  ?       ?       60.475  7.7603  0.000000       7.760282  
1 1 1 8   39  33 o 48.534  9.3104  1757.87    471.625  0.0000     0.0000   1757.87    471.625  ?       ?       48.534  9.3104  0.000000       9.310410  
1 1 1 8   40  0  o 137.048 2.9896  10174.84   443.775  10715.93   613.693  9581.80    642.481  140.627 4.0291  132.968 4.4611  7.658463       6.011272  
1 1 1 8   40  1  o 653.393 12.523  232526.80  8862.13  232083.09  15354.34 232748.41  10852.19 648.999 21.843  652.769 15.349  -3.770020      26.69693  
1 1 1 8   40  2  o 372.281 6.3054  75168.45   2542.48  76786.02   3595.89  73551.39   3595.32  375.993 8.8299  367.965 9.0211  8.028351       12.62330  
1 1 1 8   40  3  o 188.594 3.9915  19273.99   815.330  17724.54   1152.67  20825.52   1153.44  180.787 5.8866  195.985 5.4338  -15.19763      8.011107  
1 1 1 8   40  4  o 415.566 7.2886  93733.95   3280.60  91561.88   4639.62  95905.73   4639.31  410.239 10.442  419.901 10.201  -9.662476      14.59754  
1 1 1 8   40  5  o 718.816 16.937  283453.41  13186.04 265897.09  18648.07 301009.09  18647.70 691.061 24.914  736.480 23.377  -45.41833      34.16454  
1 1 1 8   40  6  f 331.456 5.7787  59592.59   2074.56  57921.60   4157.83  60146.48   2393.83  325.950 11.777  332.907 6.6390  -6.957703      13.51966  
1 1 1 8   40  7  o 75.258  2.6445  3068.31    215.560  2789.29    482.694  3137.82    240.917  71.417  6.3049  76.102  2.9228  -4.684906      6.949448  
1 1 1 8   40  8  f 245.714 4.5252  32733.79   1204.30  32958.47   2421.72  32659.98   1388.11  246.131 9.0842  245.390 5.2227  0.7402344      10.47856  
1 1 1 8   40  9  o 342.169 5.9428  63541.10   2202.43  65815.69   4414.70  62787.40   2541.27  347.158 11.741  340.006 6.9007  7.152161       13.61873  
1 1 1 8   40  10 o 260.528 4.5908  36808.65   1295.44  39899.66   2603.05  35791.11   1493.52  270.734 8.8771  256.836 5.3689  13.89749       10.37437  
1 1 1 8   40  11 o 97.469  2.7488  5147.65    290.186  4820.18    609.979  5243.44    329.911  94.032  6.0208  98.365  3.0966  -4.333282      6.770478  
1 1 1 8   40  12 o 125.974 3.0232  8600.17    412.495  8306.07    844.814  8692.23    472.668  123.495 6.3373  126.634 3.4462  -3.138435      7.213716  
1 1 1 8   40  13 o 202.972 4.0816  22341.13   897.294  22808.94   1707.79  22162.74   1054.59  204.728 7.7017  202.106 4.8176  2.622757       9.084354  
1 1 1 8   40  14 o 408.626 6.9903  90833.39   3093.81  88343.23   6193.56  91661.32   3571.29  400.140 14.291  410.187 8.0385  -10.04697      16.39651  
1 1 1 8   40  15 o 131.838 3.1435  9422.60    448.880  9682.98    916.902  9340.52    514.790  133.436 6.3442  131.240 3.6215  2.195480       7.305124  
1 1 1 8   40  16 o 191.762 3.8015  19949.64   789.572  18898.15   1581.81  20298.57   911.208  186.102 7.8475  193.378 4.3505  -7.276047      8.972744  
1 1 1 8   40  17 o 63.971  4.4999  2233.78    309.800  2126.12    433.309  2346.35    443.101  62.122  6.5381  65.324  6.3426  -3.201908      9.109069  
1 1 1 8   40  18 f 121.431 3.0456  7999.81    400.562  8700.89    798.751  7764.27    462.989  126.338 5.8372  119.590 3.5744  6.748497       6.844688  
1 1 1 8   40  19 o 71.572  3.1540  2781.22    244.496  2478.00    482.744  2885.83    283.554  66.928  6.7518  72.879  3.5922  -5.951065      7.647908  
1 1 1 8   40  20 o 149.428 3.3463  12138.00   541.587  13014.83   1100.57  11857.82   622.127  153.892 6.6028  147.595 3.8917  6.297302       7.664387  
1 1 1 8   40  21 o 140.859 3.2795  10794.78   500.335  12387.14   1007.29  10273.22   576.480  150.004 6.1999  137.288 3.8769  12.71564       7.312201  
1 1 1 8   40  22 o 82.951  3.2396  3746.51    291.056  3758.44    593.301  3742.74    334.009  82.097  6.7316  82.837  3.7227  -0.7408142     7.692400  
1 1 1 8   40  23 o 62.981  3.6248  2173.11    246.222  2649.86    503.496  2023.27    282.277  68.613  6.8673  60.613  4.3282  8.000740       8.117481  
1 1 1 8   40  24 o 24.703  7.0265  351.963    196.946  53.855     413.177  439.609    224.035  22.636  9.6290  27.458  7.3762  -4.821789      12.12961  
1 1 1 8   40  25 o 45.533  4.6871  1156.78    227.848  776.053    481.839  1266.43    258.585  35.618  11.201  47.538  5.1019  -11.91978      12.30846  
1 1 1 8   40  26 f 75.552  3.6842  3138.07    301.478  3504.46    610.006  3019.66    346.791  77.867  7.3188  73.773  4.3595  4.094269       8.518767  
1 1 1 8   40  27 o 15.492  6.7993  -30.6229   219.222  -463.8513  469.383  90.241     247.923  18.336  8.7107  18.575  7.6463  -0.2386398     11.59066  
1 1 1 8   40  28 o 31.316  7.4687  601.415    249.768  1124.76    507.338  433.994    286.952  40.667  11.174  26.637  8.6719  14.02969       14.14427  
1 1 1 8   40  29 o 17.132  7.3318  51.614     242.178  -196.4934  491.997  130.952    278.217  19.971  9.3066  19.386  8.0509  0.5852165      12.30566  
1 1 1 8   40  30 o 25.581  10.113  419.284    414.830  0.0000     0.0000   419.284    414.830  ?       ?       25.581  10.113  0.000000       10.11324  
1 1 1 8   40  31 o 20.827  9.2534  117.340    417.974  0.0000     0.0000   117.340    417.974  ?       ?       20.827  9.2534  0.000000       9.253364  
1 1 1 8   40  32 o 22.359  8.9765  326.178    331.788  0.0000     0.0000   326.178    331.788  ?       ?       22.359  8.9765  0.000000       8.976460  
1 1 1 8   41  0  o 213.970 3.9477  24808.81   914.883  25408.17   1294.21  24210.14   1293.47  216.477 5.5198  211.306 5.6516  5.171188       7.899935  
1 1 1 8   41  1  o 410.769 7.2959  91567.22   3245.98  89958.13   5019.31  92723.92   4255.64  406.535 11.399  413.055 9.5123  -6.519775      14.84678  
1 1 1 8   41  2  o 390.794 6.6944  82855.80   2833.52  84835.21   4007.47  80876.93   4006.94  395.092 9.3649  385.731 9.5909  9.360657       13.40468  
1 1 1 8   41  3  o 609.411 10.188  202007.80  6724.73  197771.30  9510.37  206244.00  9510.05  601.602 14.595  614.468 14.289  -12.86560      20.42583  
1 1 1 8   41  4  o 158.849 3.3984  13672.11   584.695  14053.84   827.824  13292.11   825.945  161.012 4.7469  156.584 4.8701  4.428421       6.800769  
1 1 1 8   41  5  o 275.018 5.3336  41015.36   1588.73  43250.20   2759.95  39907.84   1942.91  282.057 9.0343  271.181 6.6149  10.87579       11.19710  
1 1 1 8   41  6  o 77.415  2.4449  3246.54    205.001  4800.81    451.734  2843.43    230.053  94.107  4.4319  72.445  2.9319  21.66253       5.313920  
1 1 1 8   41  7  o 334.473 5.7423  60691.36   2080.26  61165.77   4171.54  60534.32   2399.97  334.893 11.501  333.942 6.6354  0.9512329      13.27748  
1 1 1 8   41  8  o 436.893 7.3594  103695.30  3482.49  100463.50  6973.16  104769.20  4019.66  427.894 15.046  438.928 8.4552  -11.03400      17.25907  
1 1 1 8   41  9  o 253.049 4.6566  34724.63   1276.26  32399.29   2563.64  35490.83   1471.58  243.878 9.7054  255.773 5.3120  -11.89505      11.06401  
1 1 1 8   41  10 o 353.502 6.6323  67874.72   2539.36  62469.72   4723.65  70071.66   3011.54  337.747 12.913  358.985 7.7454  -21.23761      15.05747  
1 1 1 8   41  11 o 302.442 5.3046  49636.70   1737.66  51760.41   3485.84  48934.48   2004.46  307.949 10.451  300.189 6.1650  7.760529       12.13387  
1 1 1 8   41  12 o 93.844  2.6394  4771.85    268.271  5102.99    590.401  4685.69    301.157  96.787  5.6566  92.986  2.9902  3.801521       6.398307  
1 1 1 8   41  13 o 328.603 5.7557  58640.93   2048.53  55561.49   4104.32  59662.59   2364.05  318.402 11.901  331.309 6.5880  -12.90720      13.60303  
1 1 1 8   41  14 o 57.390  2.9975  1790.03    185.674  2207.79    410.259  1682.42    208.219  63.455  6.0423  55.597  3.4752  7.857559       6.970387  
1 1 1 8   41  15 o 258.469 4.6464  36262.62   1300.75  38642.98   2610.30  35476.27   1500.30  265.958 9.0617  255.544 5.4205  10.41336       10.55917  
1 1 1 8   41  16 o 117.820 2.9993  7526.28    382.739  7547.45    777.395  7519.50    439.725  117.613 6.1238  117.745 3.4480  -0.1317139     7.027749  
1 1 1 8   41  17 o 23.345  7.6522  285.780    223.294  561.532    310.036  -11.4189   321.867  31.544  8.7617  19.756  8.4536  11.78777       12.17502  
1 1 1 8   41  18 o 97.855  2.9507  5195.02    312.731  4625.86    616.955  5391.84    362.794  91.845  6.2390  99.664  3.3609  -7.819534      7.086603  
1 1 1 8   41  19 o 141.438 3.2426  10864.51   496.742  10388.34   995.185  11022.51   573.262  137.669 6.6742  142.398 3.7169  -4.729294      7.639350  
1 1 1 8   41  20 o 153.084 3.3317  12741.67   552.411  14954.01   1132.79  12051.41   632.747  164.987 6.3391  148.765 3.9270  16.22198       7.456927  
1 1 1 8   41  21 f 15.388  6.3733  36.619     173.680  279.126    397.881  -20.4670   193.043  26.172  10.028  14.980  6.4796  11.19241       11.93959  
1 1 1 8   41  22 o 56.291  3.7996  1736.94    230.301  2280.52    485.741  1579.31    261.569  63.654  7.1703  53.518  4.5558  10.13557       8.495242  
1 1 1 8   41  23 o 61.010  2.2455  2022.46    148.387  1586.04    480.171  2068.54    156.024  52.196  8.8069  61.693  2.3350  -9.496853      9.111212  
1 1 1 8   41  24 o 78.554  2.6397  3359.89    224.596  3143.67    560.741  3401.21    245.117  74.480  7.0344  78.998  2.8647  -4.518005      7.595320  
1 1 1 8   41  25 o 47.880  1.8566  1245.58    96.282   775.667    451.552  1267.96    98.548   35.527  10.787  48.306  1.8836  -12.77861      10.95038  
1 1 1 8   41  26 o 41.936  1.8559  956.157    84.299   691.617    473.331  964.823    85.668   33.503  11.149  42.124  1.8777  -8.620342      11.30589  
1 1 1 8   41  27 o 57.332  4.2325  1831.84    260.963  1835.47    550.333  1830.78    296.407  54.352  9.7045  57.070  4.8409  -2.717518      10.84491  
1 1 1 8   41  28 o 18.232  7.4907  100.443    237.352  248.326    489.635  55.018     271.368  25.369  10.620  18.310  7.7966  7.058914       13.17457  
1 1 1 8   41  29 o 23.410  8.0406  340.623    246.251  499.505    498.381  289.306    283.240  27.740  11.048  22.491  8.4984  5.248907       13.93813  
1 1 1 8   41  30 o 28.783  10.376  605.313    413.708  0.0000     0.0000   605.313    413.708  ?       ?       28.783  10.376  0.000000       10.37637  
1 1 1 8   41  31 o 28.649  10.579  649.049    433.817  0.0000     0.0000   649.049    433.817  ?       ?       28.649  10.579  0.000000       10.57900  
1 1 1 8   41  32 o 19.195  8.8360  4.0540     423.587  0.0000     0.0000   4.0540     423.587  ?       ?       19.195  8.8360  0.000000       8.835969  
1 1 1 8   42  0  o 168.202 3.4887  15329.28   635.583  15612.23   899.538  15047.19   898.162  169.707 4.8938  166.605 4.9773  3.102158       6.980241  
1 1 1 8   42  1  o 431.559 7.6572  101107.70  3579.14  101920.20  5062.36  100295.60  5060.99  432.767 10.800  429.288 10.885  3.479309       15.33361  
1 1 1 8   42  2  o 248.841 4.6349  33564.86   1249.21  31797.20   1765.02  35339.05   1768.28  242.075 6.7318  255.226 6.3967  -13.15051      9.286246  
1 1 1 8   42  3  o 322.792 6.1006  56520.96   2132.87  56017.81   3282.53  56888.60   2805.91  320.980 9.4419  323.646 8.0045  -2.666168      12.37826  
1 1 1 8   42  4  o 465.394 7.6601  117617.60  3861.21  119266.80  5461.05  115969.00  5460.09  468.019 10.773  461.468 10.924  6.550995       15.34267  
1 1 1 8   42  5  o 252.873 5.2064  34675.47   1425.97  36324.85   2478.20  33859.07   1743.51  258.493 8.8515  249.790 6.4444  8.702591       10.94893  
1 1 1 8   42  6  o 538.932 9.1472  157975.59  5339.41  143611.30  10685.15 162756.20  6164.20  510.033 19.342  546.677 10.411  -36.64398      21.96617  
1 1 1 8   42  7  o 445.510 7.3906  107815.30  3566.21  112456.40  7142.17  106273.80  4116.02  453.016 14.556  442.076 8.5963  10.93951       16.90496  
1 1 1 8   42  8  o 143.034 3.1579  11086.13   489.232  11021.45   1004.08  11106.27   560.232  142.477 6.5066  143.151 3.6133  -0.6731567     7.442542  
1 1 1 8   42  9  o 166.656 3.4472  15052.77   622.239  14374.61   1263.25  15270.02   714.992  162.652 7.1707  167.835 3.9332  -5.183350      8.178571  
1 1 1 8   42  10 o 168.179 3.4158  15329.63   622.207  16226.88   1263.31  15042.27   714.933  172.829 6.7487  166.572 3.9627  6.257401       7.826145  
1 1 1 8   42  11 o 293.088 5.9332  46640.56   1883.45  47720.45   3270.22  46104.56   2303.94  295.712 10.210  291.205 7.3047  4.506775       12.55422  
1 1 1 8   42  12 o 196.551 3.8004  20945.17   809.054  19153.97   1620.51  21539.88   933.755  187.595 7.9756  199.288 4.3260  -11.69302      9.073225  
1 1 1 8   42  13 o 103.842 2.8421  5843.78    319.658  6515.15    666.587  5643.28    364.276  109.387 5.6455  102.033 3.2963  7.354088       6.537375  
1 1 1 8   42  14 o 100.187 2.8549  5440.19    309.794  4975.82    648.030  5577.75    352.707  95.460  6.3031  101.435 3.2104  -5.974564      7.073579  
1 1 1 8   42  15 o 267.206 5.1484  38780.89   1490.00  37996.59   2793.75  39092.67   1761.44  263.473 9.7899  268.124 6.0654  -4.650787      11.51661  
1 1 1 8   42  16 f 303.132 5.3381  49953.68   1752.62  48674.54   3509.84  50378.57   2022.86  297.431 10.895  304.231 6.1389  -6.799713      12.50557  
1 1 1 8   42  17 o 64.871  4.4465  2297.21    310.530  2267.91    435.344  2327.57    443.068  64.188  6.3450  65.030  6.3723  -0.8423080     8.992537  
1 1 1 8   42  18 o 131.563 3.1362  9394.12    446.891  9039.97    880.227  9517.10    518.715  128.631 6.3180  132.374 3.6179  -3.742889      7.280552  
1 1 1 8   42  19 o 49.449  3.5452  1335.77    188.611  1235.01    376.768  1369.47    217.877  46.769  7.7063  50.005  4.0578  -3.236038      8.709328  
1 1 1 8   42  20 o 36.519  5.0014  742.219    192.625  743.037    441.307  742.027    214.097  35.934  10.608  36.391  5.6124  -0.4570313     12.00127  
1 1 1 8   42  21 o 23.101  6.6372  301.843    174.860  439.063    407.953  270.958    193.540  29.291  10.331  22.295  7.1090  6.995825       12.54067  
1 1 1 8   42  22 o 37.055  1.8014  744.925    72.299   1184.95    429.263  732.078    73.347   45.024  9.1153  36.686  1.8519  8.338245       9.301517  
1 1 1 8   42  23 o 17.875  6.8222  127.706    183.677  104.136    402.452  133.907    206.431  23.185  9.6602  18.678  7.2064  4.506065       12.05201  
1 1 1 8   42  24 o 59.717  3.8297  1961.80    246.403  1463.40    501.368  2120.52    282.929  49.437  9.7098  61.989  4.2394  -12.55184      10.59494  
1 1 1 8   42  25 o 60.794  3.8081  2037.62    249.487  2619.63    509.570  1854.12    286.127  67.603  7.0637  57.740  4.6138  9.862980       8.436947  
1 1 1 8   42  26 o 17.219  6.9588  88.049     200.833  759.241    419.663  -111.3268  228.725  34.808  10.361  14.643  6.6458  20.16481       12.30960  
1 1 1 8   42  27 o 16.937  7.1585  40.412     225.927  210.562    448.506  -17.4443   261.532  24.769  10.249  17.068  7.4605  7.700764       12.67665  
1 1 1 8   42  28 o 55.441  2.6160  1686.28    157.085  1919.79    557.456  1666.14    163.720  54.297  9.8414  55.073  2.7447  -0.7758179     10.21694  
1 1 1 8   42  29 o 21.764  8.2919  264.027    271.045  0.0000     0.0000   264.027    271.045  ?       ?       21.764  8.2919  0.000000       8.291882  
1 1 1 8   42  30 o 25.648  9.8301  440.031    382.354  0.0000     0.0000   440.031    382.354  ?       ?       25.648  9.8301  0.000000       9.830059  
1 1 1 8   42  31 o 40.132  9.6809  1191.89    415.946  0.0000     0.0000   1191.89    415.946  ?       ?       40.132  9.6809  0.000000       9.680906  
1 1 1 8   42  32 o 28.023  10.603  664.143    441.292  0.0000     0.0000   664.143    441.292  ?       ?       28.023  10.603  0.000000       10.60317  
1 1 1 8   43  0  o 240.321 4.6020  31305.78   1197.87  30052.49   1694.30  32558.30   1693.79  235.344 6.6469  244.977 6.3836  -9.633469      9.215817  
1 1 1 8   43  1  o 565.790 9.4745  174048.50  5806.06  174593.30  8211.47  173503.70  8210.55  565.557 13.405  563.776 13.446  1.781006       18.98678  
1 1 1 8   43  2  o 357.478 6.0825  69321.39   2355.05  67698.97   3330.56  70943.78   3330.53  352.960 8.7121  361.348 8.5098  -8.388153      12.17854  
1 1 1 8   43  3  o 214.210 4.0149  24868.44   931.502  25458.94   1317.89  24278.92   1316.80  216.661 5.6160  211.573 5.7463  5.087997       8.034912  
1 1 1 8   43  4  o 506.704 8.3605  139515.09  4588.35  146027.70  6489.79  133006.00  6488.02  517.592 11.576  493.819 12.130  23.77298       16.76779  
1 1 1 8   43  5  o 372.003 7.4381  75154.77   2996.95  67689.79   5195.74  78876.77   3668.77  351.880 13.633  380.874 8.8934  -28.99377      16.27711  
1 1 1 8   43  6  o 350.071 6.1034  66501.09   2314.20  63415.38   4636.85  67524.66   2670.58  340.743 12.564  352.644 6.9920  -11.90118      14.37847  
1 1 1 8   43  7  o 127.398 2.9953  8794.17    413.304  8597.73    851.076  8854.79    472.797  125.857 6.2434  127.827 3.4149  -1.969261      7.116290  
1 1 1 8   43  8  o 132.104 2.8731  9455.68    411.086  10540.56   853.255  9127.74    469.121  139.375 5.6523  129.781 3.3374  9.593323       6.564019  
1 1 1 8   43  9  o 281.583 4.8500  43005.94   1479.17  45813.55   2971.20  42080.81   1705.55  290.000 9.4594  278.461 5.6550  11.53909       11.02084  
1 1 1 8   43  10 o 155.525 3.3279  13109.28   560.576  12826.72   1140.64  13199.26   643.673  153.646 6.8542  156.039 3.8086  -2.392776      7.841260  
1 1 1 8   43  11 o 192.888 3.7324  20170.02   779.765  21382.88   1575.72  19776.68   897.343  198.306 7.3363  190.963 4.3385  7.342636       8.523099  
1 1 1 8   43  12 o 171.712 3.5162  15983.73   653.942  16398.58   1323.19  15849.66   752.229  173.665 7.0346  170.962 4.0624  2.703094       8.123340  
1 1 1 8   43  13 o 209.289 4.1996  23758.98   951.978  24290.51   1808.87  23555.37   1119.57  211.189 7.9080  208.325 4.9618  2.864075       9.335734  
1 1 1 8   43  14 o 87.328  2.8131  4133.26    266.073  3846.09    563.144  4215.79    301.895  83.878  6.2434  88.186  3.1607  -4.308022      6.997905  
1 1 1 8   43  15 o 209.723 3.9915  23864.47   906.670  25161.51   1823.81  23438.69   1044.94  214.770 7.8404  207.775 4.6433  6.994919       9.112171  
1 1 1 8   43  16 o 49.786  3.3546  1350.55    179.839  1929.03    385.421  1189.54    203.330  59.218  6.0962  46.636  4.0661  12.58155       7.327818  
1 1 1 8   43  17 o 58.043  4.6479  1843.23    289.749  1846.40    407.416  1839.99    412.160  57.793  6.6286  57.673  6.7244  0.1193810      9.442234  
1 1 1 8   43  18 o 99.939  2.9070  5419.76    314.671  5035.95    631.536  5546.51    362.931  95.818  6.1172  101.071 3.3153  -5.252449      6.957841  
1 1 1 8   43  19 o 34.191  4.7179  649.261    170.063  653.335    447.019  648.572    183.890  34.235  10.792  34.096  5.1391  0.1384964      11.95334  
1 1 1 8   43  20 o 52.965  1.4983  1520.56    85.953   1179.52    443.928  1533.84    87.610   45.112  9.3908  53.195  1.5206  -8.082607      9.513127  
1 1 1 8   43  21 o 25.435  6.4023  370.924    176.248  477.452    412.440  347.125    194.944  30.083  10.402  24.696  6.9789  5.386820       12.52604  
1 1 1 8   43  22 o 26.274  6.4392  397.636    181.818  558.070    414.248  359.355    202.351  31.571  10.426  25.062  7.1201  6.509336       12.62546  
1 1 1 8   43  23 o 5.1711  2.4078  -30.6185   32.828   -31.7422   404.911  -30.6111   32.937   21.377  9.3150  5.1831  2.4128  16.19438       9.622450  
1 1 1 8   43  24 o 32.554  1.1958  574.582    42.161   1280.22    420.586  567.419    42.375   46.567  8.6576  32.350  1.2094  14.21721       8.741628  
1 1 1 8   43  25 o 40.540  1.8648  893.157    81.883   591.197    452.629  903.373    83.256   31.768  10.902  40.770  1.8854  -9.002184      11.06355  
1 1 1 8   43  26 f 88.057  2.8896  4241.17    275.597  4547.66    636.326  4170.40    305.762  89.108  6.6409  87.209  3.2371  1.898460       7.387799  
1 1 1 8   43  27 o 56.922  4.1755  1807.87    255.629  1941.66    510.854  1763.18    295.253  56.472  8.6257  55.890  4.9279  0.5819435      9.934133  
1 1 1 8   43  28 o 33.406  6.9840  682.747    244.561  490.095    485.382  748.296    283.126  28.441  11.029  34.590  7.7495  -6.148544      13.47901  
1 1 1 8   43  29 o 62.046  5.0339  2236.48    335.374  0.0000     0.0000   2236.48    335.374  ?       ?       62.046  5.0339  0.000000       5.033919  
1 1 1 8   43  30 o 32.636  10.474  810.455    419.628  0.0000     0.0000   810.455    419.628  ?       ?       32.636  10.474  0.000000       10.47437  
1 1 1 8   43  31 o 21.037  9.2928  150.693    415.668  0.0000     0.0000   150.693    415.668  ?       ?       21.037  9.2928  0.000000       9.292768  
1 1 1 8   43  32 o 24.241  10.061  419.734    434.053  0.0000     0.0000   419.734    434.053  ?       ?       24.241  10.061  0.000000       10.06052  
1 1 1 8   44  0  o 197.154 4.0266  21065.56   859.828  21059.46   1295.23  21070.38   1149.69  197.033 6.0693  197.119 5.3850  -0.8628845E-01 8.113842  
1 1 1 8   44  1  o 227.270 4.1608  27994.30   1024.21  28613.98   1449.00  27375.58   1447.89  229.683 5.8247  224.650 5.9506  5.032928       8.326819  
1 1 1 8   44  2  o 309.830 5.2650  52053.96   1766.82  54176.88   2499.40  49933.56   2497.92  315.894 7.3051  303.239 7.6054  12.65509       10.54546  
1 1 1 8   44  3  o 197.618 3.8616  21164.61   826.545  21117.82   1241.44  21201.86   1107.77  197.310 5.8091  197.735 5.1724  -0.4257507     7.778140  
1 1 1 8   44  4  o 462.741 7.6076  116300.80  3812.92  121641.10  5393.09  110963.70  5391.46  472.614 10.536  451.274 11.031  21.33981       15.25360  
1 1 1 8   44  5  o 155.066 3.3858  13029.76   568.652  12948.19   839.592  13098.90   772.928  154.523 5.0165  155.437 4.5911  -0.9135742     6.800269  
1 1 1 8   44  6  o 331.289 5.6900  59545.78   2041.70  59926.93   4093.01  59419.53   2355.71  331.431 11.402  330.835 6.5741  0.5956116      13.16145  
1 1 1 8   44  7  o 163.499 3.5199  14487.52   623.322  15359.84   1484.74  14300.88   686.775  168.077 8.1559  162.429 3.9037  5.648315       9.042017  
1 1 1 8   44  8  o 394.947 6.6622  84713.11   2849.87  84180.38   5709.50  84889.88   3288.88  391.999 13.448  395.174 7.6840  -3.174774      15.48808  
1 1 1 8   44  9  o 231.985 4.6186  29186.77   1160.49  27081.32   3032.22  29548.08   1256.12  222.072 12.659  233.390 4.9691  -11.31792      13.59936  
1 1 1 8   44  10 o 168.376 3.6030  15367.61   657.074  16445.98   1573.36  15139.80   723.157  173.828 8.3567  167.105 3.9955  6.722870       9.262786  
1 1 1 8   44  11 o 39.954  3.1245  870.412    134.133  1258.46    341.639  799.694    145.844  47.644  6.8147  38.244  3.5619  9.400158       7.689384  
1 1 1 8   44  12 o 229.993 5.3477  28715.00   1332.14  28821.79   2126.85  28646.06   1708.86  229.995 8.5379  229.538 6.8736  0.4568176      10.96088  
1 1 1 8   44  13 o 220.590 4.1457  26394.69   990.506  26491.57   1991.98  26362.86   1141.65  220.452 8.3426  220.398 4.7825  0.5361938E-01  9.616190  
1 1 1 8   44  14 f 384.569 7.0178  80505.14   2923.12  79984.69   5430.44  80717.46   3468.50  380.872 13.164  384.675 8.3249  -3.803040      15.57541  
1 1 1 8   44  15 o 242.966 4.4430  32047.48   1169.20  33588.67   2348.60  31539.66   1348.13  247.868 8.7482  240.929 5.1662  6.938919       10.15975  
1 1 1 8   44  16 o 227.139 4.2691  28017.06   1050.26  26891.02   2105.95  28389.84   1211.69  221.544 8.7764  228.546 4.8949  -7.001587      10.04916  
1 1 1 8   44  17 o 89.801  4.1561  4381.83    404.235  4591.64    570.664  4170.53    572.690  91.604  5.7814  87.232  6.0998  4.371719       8.404271  
1 1 1 8   44  18 o 66.233  3.1024  2381.44    222.561  2313.30    434.644  2405.65    259.107  64.743  6.2771  66.443  3.6141  -1.699699      7.243169  
1 1 1 8   44  19 o 98.260  2.9808  5244.01    317.234  5673.50    695.686  5131.26    356.451  101.491 6.3609  97.157  3.3873  4.333305       7.206578  
1 1 1 8   44  20 o 115.144 3.1033  7208.46    387.024  6924.07    804.028  7294.22    441.544  111.864 6.6663  115.760 3.5216  -3.896744      7.539358  
1 1 1 8   44  21 o 62.345  3.4303  2123.44    230.747  2108.80    505.917  2127.28    259.286  61.036  7.8337  62.330  3.8597  -1.294224      8.732918  
1 1 1 8   44  22 o 67.108  2.6269  2448.99    190.935  2558.37    530.623  2432.72    204.642  67.263  7.4062  66.862  2.8258  0.4008865      7.926962  
1 1 1 8   44  23 o 13.161  5.8845  -67.5932   171.853  403.284    397.727  -175.6875  190.560  28.109  10.168  12.354  5.7688  15.75470       11.69025  
1 1 1 8   44  24 o 63.044  3.6020  2183.21    244.937  1610.83    518.508  2347.63    277.898  51.884  9.5797  65.291  3.9483  -13.40722      10.36144  
1 1 1 8   44  25 o 111.228 3.2339  6772.03    389.599  6809.35    784.297  6759.80    448.901  109.499 6.6444  110.930 3.7362  -1.431168      7.622848  
1 1 1 8   44  26 o 52.708  4.3787  1549.33    247.708  1470.89    580.679  1566.78    273.878  47.693  11.397  52.839  4.8393  -5.145412      12.38157  
1 1 1 8   44  27 o 25.099  7.2975  378.282    210.261  252.351    444.751  414.530    238.610  25.153  10.285  26.181  7.8174  -1.027422      12.91836  
1 1 1 8   44  28 o 25.322  1.7938  351.351    48.880   180.624    445.612  353.430    49.177   23.395  9.9770  25.397  1.7994  -2.001600      10.13802  
1 1 1 8   44  29 o 23.605  9.2979  316.919    349.430  0.0000     0.0000   316.919    349.430  ?       ?       23.605  9.2979  0.000000       9.297859  
1 1 1 8   44  30 o 31.264  10.430  744.134    414.180  0.0000     0.0000   744.134    414.180  ?       ?       31.264  10.430  0.000000       10.43022  
1 1 1 8   44  31 o 17.148  8.1271  -219.1591  403.931  0.0000     0.0000   -219.1591  403.931  ?       ?       17.148  8.1271  0.000000       8.127071  
1 1 1 8   44  32 o 20.257  9.1279  107.372    422.474  0.0000     0.0000   107.372    422.474  ?       ?       20.257  9.1279  0.000000       9.127901  
1 1 1 8   45  0  o 276.196 5.0174  41361.23   1500.93  41632.35   2123.42  41090.50   2121.86  276.936 7.0792  275.124 7.1206  1.811890       10.04088  
1 1 1 8   45  1  o 106.297 2.7575  6121.24    317.476  5811.83    444.073  6444.71    454.051  103.555 3.9592  109.050 3.8442  -5.494957      5.518474  
1 1 1 8   45  2  o 306.258 5.6589  50874.13   1877.12  47948.71   2654.72  53799.24   2654.58  297.059 8.2510  314.718 7.7876  -17.65887      11.34572  
1 1 1 8   45  3  o 340.205 6.0106  62793.43   2214.78  61877.45   3132.55  63708.97   3131.80  337.397 8.5721  342.373 8.4455  -4.975494      12.03356  
1 1 1 8   45  4  o 220.365 3.8611  26318.76   921.555  26229.39   1303.72  26408.01   1302.83  219.903 5.4737  220.652 5.4514  -0.7489319     7.725276  
1 1 1 8   45  5  o 100.354 2.7013  5456.12    293.618  5439.10    417.801  5472.73    412.724  100.176 3.8507  100.486 3.7921  -0.3104401     5.404421  
1 1 1 8   45  6  o 256.584 5.3936  35714.20   1498.91  34810.69   2603.51  36162.16   1833.21  252.864 9.5061  258.083 6.5582  -5.218765      11.54881  
1 1 1 8   45  7  o 179.132 3.5549  17391.04   689.723  17221.49   1393.57  17446.05   793.758  178.039 7.2268  179.393 4.0852  -1.353561      8.301521  
1 1 1 8   45  8  o 190.637 3.7501  19699.45   774.315  19858.84   1567.56  19648.00   890.547  191.137 7.5719  190.360 4.3193  0.7777252      8.717260  
1 1 1 8   45  9  o 198.742 3.7744  21411.46   812.479  22117.40   1643.11  21183.00   934.754  201.698 7.5213  197.646 4.3666  4.051651       8.696971  
1 1 1 8   45  10 o 219.536 4.0179  26131.78   955.373  26936.05   1925.43  25869.09   1100.39  222.499 7.9897  218.386 4.6521  4.113449       9.245375  
1 1 1 8   45  11 o 165.712 3.4412  14885.15   617.642  14571.08   1256.79  14985.16   709.192  163.708 7.0880  166.244 3.9387  -2.536301      8.108809  
1 1 1 8   45  12 o 147.821 3.2410  11844.25   518.903  12613.82   1060.54  11602.04   594.985  152.344 6.4274  146.279 3.7554  6.065018       7.444065  
1 1 1 8   45  13 o 157.530 3.3701  13453.86   575.014  12912.27   1166.17  13627.83   660.946  154.045 6.9895  158.518 3.8496  -4.472946      7.979488  
1 1 1 8   45  14 o 169.547 3.5010  15588.62   642.923  16064.48   1300.99  15434.85   739.536  171.770 6.9929  168.671 4.0481  3.099396       8.080060  
1 1 1 8   45  15 o 306.819 5.8236  51206.80   1935.29  50072.21   3612.53  51663.48   2291.91  301.672 11.056  307.918 6.8721  -6.246063      13.01793  
1 1 1 8   45  16 o 149.572 3.3714  12137.73   546.174  12142.34   1086.69  12136.17   631.768  149.192 6.7250  149.515 3.9012  -0.3235931     7.774621  
1 1 1 8   45  17 o 108.028 3.3263  6334.55    389.196  6103.21    693.283  6441.01    470.295  105.578 6.0885  108.876 3.9881  -3.298172      7.278400  
1 1 1 8   45  18 o 49.405  3.4004  1332.19    180.850  1205.35    362.420  1374.24    208.690  46.266  7.4882  50.125  3.8740  -3.858967      8.430997  
1 1 1 8   45  19 o 106.489 3.0964  6161.80    357.135  6755.20    747.268  5986.14    406.573  110.759 6.2547  104.901 3.5784  5.857803       7.206003  
1 1 1 8   45  20 o 114.772 3.0102  7161.51    374.203  7706.20    802.532  7010.19    423.001  118.124 6.2954  113.485 3.4414  4.639160       7.174617  
1 1 1 8   45  21 o 94.329  3.1259  4842.75    319.372  4570.55    674.060  4921.55    362.662  90.519  6.9278  95.029  3.5235  -4.510071      7.772381  
1 1 1 8   45  22 o 51.934  3.9401  1483.01    219.982  1957.06    476.349  1354.50    248.012  58.601  7.6907  49.462  4.6853  9.138977       9.005505  
1 1 1 8   45  23 o 42.969  1.8657  1002.43    86.832   934.693    447.545  1005.08    88.514   39.320  10.363  43.024  1.8995  -3.704308      10.53538  
1 1 1 8   45  24 o ?       ?       -205.6917  30.566   -484.9436  412.595  -204.1506  30.650   16.953  8.0853  ?       ?       0.000000       8.085334  
1 1 1 8   45  25 o 60.311  2.5376  1983.37    165.763  1993.04    515.103  1982.26    175.076  58.038  8.4416  60.270  2.6820  -2.231651      8.857450  
1 1 1 8   45  26 o 48.097  2.0332  1259.16    105.918  1612.65    478.079  1240.92    108.617  51.593  8.8754  47.739  2.1007  3.854179       9.120591  
1 1 1 8   45  27 o 57.185  4.4041  1835.00    270.676  1030.13    514.918  2142.33    318.184  38.992  11.444  61.613  4.8060  -22.62099      12.41214  
1 1 1 8   45  28 o 30.642  7.4403  591.193    244.459  201.962    458.614  745.679    288.927  23.709  10.116  34.192  7.9520  -10.48331      12.86766  
1 1 1 8   45  29 o 37.983  9.0957  983.698    369.250  0.0000     0.0000   983.698    369.250  ?       ?       37.983  9.0957  0.000000       9.095724  
1 1 1 8   45  30 o 62.336  7.0956  2456.61    470.533  0.0000     0.0000   2456.61    470.533  ?       ?       62.336  7.0956  0.000000       7.095562  
1 1 1 8   45  31 o 42.989  9.0579  1324.87    408.441  0.0000     0.0000   1324.87    408.441  ?       ?       42.989  9.0579  0.000000       9.057935  
1 1 1 8   45  32 o 16.066  7.6795  -259.2335  376.541  0.0000     0.0000   -259.2335  376.541  ?       ?       16.066  7.6795  0.000000       7.679514  
1 1 1 8   46  0  f 84.311  2.5951  3850.86    236.979  3906.35    337.639  3796.98    332.694  84.903  3.6717  83.706  3.6696  1.197014       5.191059  
1 1 1 8   46  1  o 200.898 3.9780  21874.44   865.582  21730.28   1224.83  22018.27   1223.41  200.155 5.6499  201.479 5.6062  -1.324402      7.959324  
1 1 1 8   46  2  f 205.067 3.9400  22791.73   875.100  22183.46   1237.75  23399.67   1237.40  202.227 5.6510  207.706 5.5004  -5.478516      7.885915  
1 1 1 8   46  3  o 247.439 4.4392  33191.83   1189.71  32437.54   1682.52  33946.09   1682.48  244.478 6.3540  250.110 6.2108  -5.632217      8.885279  
1 1 1 8   46  4  o 353.178 6.2303  67695.74   2383.25  66949.16   3370.74  68442.05   3370.11  350.839 8.8705  354.746 8.7712  -3.907227      12.47473  
1 1 1 8   46  5  o 384.839 6.5225  80401.63   2718.73  81502.54   3845.68  79301.66   3844.04  387.000 9.1747  381.715 9.2978  5.285980       13.06230  
1 1 1 8   46  6  o 260.185 5.6388  36731.43   1589.04  33121.89   2756.86  38527.29   1944.57  246.516 10.325  266.361 6.7404  -19.84421      12.33054  
1 1 1 8   46  7  f 227.497 4.1815  28059.23   1030.33  28459.62   2072.67  27927.81   1187.44  228.733 8.3662  226.922 4.8313  1.811600       9.661040  
1 1 1 8   46  8  f 125.137 3.0210  8485.47    409.461  8280.34    849.554  8547.54    467.321  123.321 6.3823  125.582 3.4357  -2.261681      7.248265  
1 1 1 8   46  9  o 308.690 5.8854  51731.03   1967.75  48839.05   3674.32  52894.01   2330.06  298.944 11.348  311.999 6.8952  -13.05432      13.27851  
1 1 1 8   46  10 o 298.040 5.5863  48217.80   1803.30  49167.93   3372.61  47837.42   2133.96  300.103 10.376  296.719 6.6400  3.384155       12.31866  
1 1 1 8   46  11 o 163.605 3.4316  14509.36   608.088  13847.84   1233.94  14721.54   698.838  159.577 7.1392  164.773 3.9158  -5.195313      8.142629  
1 1 1 8   46  12 o 466.156 7.9460  118351.60  4011.88  111144.90  8030.78  120748.20  4631.17  447.512 16.569  470.441 9.0890  -22.92963      18.89774  
1 1 1 8   46  13 o 162.202 3.5351  14265.70   621.057  14498.87   1210.73  14182.44   723.494  163.242 6.8477  161.691 4.1312  1.550873       7.997408  
1 1 1 8   46  14 o 80.649  2.7866  3525.59    243.417  3832.17    524.041  3441.25    274.869  83.756  5.8126  79.667  3.1855  4.088982       6.628283  
1 1 1 8   46  15 o 229.607 4.3101  28623.92   1071.86  26165.90   2151.67  29435.22   1236.16  218.559 9.0894  232.750 4.9036  -14.19086      10.32777  
1 1 1 8   46  16 o 126.912 3.0651  8736.78    421.320  8764.91    854.929  8727.76    484.201  126.794 6.2253  126.813 3.5253  -0.1906586E-01 7.154167  
1 1 1 8   46  17 o 100.002 3.3830  5429.66    366.417  5117.40    637.424  5583.77    447.798  96.613  6.1231  101.352 4.0792  -4.739143      7.357510  
1 1 1 8   46  18 o 117.605 3.0019  7509.84    382.374  6982.78    769.919  7682.41    440.546  112.726 6.3316  118.903 3.4208  -6.177177      7.196616  
1 1 1 8   46  19 o 62.842  2.4051  2143.23    163.699  2967.17    520.734  2052.87    172.441  73.138  6.6461  61.493  2.5891  11.64552       7.132636  
1 1 1 8   46  20 o 94.414  3.0722  4847.78    314.167  4278.80    673.119  5006.24    355.232  87.616  7.1556  95.896  3.4201  -8.279984      7.930954  
1 1 1 8   46  21 o 77.298  2.6885  3248.19    225.089  3448.77    584.407  3213.25    243.906  78.519  6.9434  76.853  2.9301  1.665596       7.536319  
1 1 1 8   46  22 o 75.083  3.2404  3073.42    263.518  3035.21    565.251  3084.03    297.868  73.342  7.2089  75.144  3.6598  -1.801811      8.084673  
1 1 1 8   46  23 o 103.741 3.1162  5871.25    350.139  5803.12    724.951  5891.99    399.872  101.643 6.6212  103.809 3.5565  -2.165558      7.515908  
1 1 1 8   46  24 o 16.843  6.6790  93.536     181.442  491.729    414.388  -0.9120    201.816  29.694  10.417  15.523  6.6695  14.17086       12.36931  
1 1 1 8   46  25 o 34.470  5.6854  681.843    204.863  48.576     447.330  849.912    230.451  22.955  9.8965  38.568  5.6873  -15.61386      11.41427  
1 1 1 8   46  26 o 52.333  4.1771  1524.98    234.793  741.878    493.068  1754.62    267.010  34.242  11.378  56.063  4.4334  -21.82069      12.21141  
1 1 1 8   46  27 o 25.657  7.6043  400.651    226.403  -81.2614   442.108  571.954    263.588  20.748  9.3445  30.378  7.9271  -9.630075      12.25393  
1 1 1 8   46  28 o 17.388  7.3128  76.482     233.889  -304.3817  437.353  229.037    276.796  18.017  8.5143  21.275  8.3063  -3.257893      11.89492  
1 1 1 8   46  29 o 27.683  9.6991  529.211    359.167  0.0000     0.0000   529.211    359.167  ?       ?       27.683  9.6991  0.000000       9.699073  
1 1 1 8   46  30 o 17.467  8.2040  -188.9781  395.091  0.0000     0.0000   -188.9781  395.091  ?       ?       17.467  8.2040  0.000000       8.203997  
1 1 1 8   46  31 o 33.660  10.563  926.172    428.736  0.0000     0.0000   926.172    428.736  ?       ?       33.660  10.563  0.000000       10.56288  
1 1 1 8   47  0  o 55.533  2.7396  1670.73    164.779  1405.78    235.948  1922.98    230.223  50.740  4.3350  59.461  3.5916  -8.721077      5.629529  
1 1 1 8   47  1  o 107.363 2.8831  6245.10    335.267  6383.79    473.774  6105.99    474.504  108.526 4.0306  106.136 4.1277  2.389816       5.769170  
1 1 1 8   47  2  o 105.898 2.8142  6075.75    322.783  6215.97    456.005  5934.94    456.964  107.091 3.9314  104.640 4.0319  2.451035       5.631365  
1 1 1 8   47  3  o 554.875 9.3825  167552.09  5638.77  169054.50  7974.95  166050.09  7973.88  556.016 13.243  551.005 13.361  5.010681       18.81184  
1 1 1 8   47  4  o 226.364 4.2725  27778.64   1047.53  28108.72   1481.79  27448.87   1481.06  227.589 6.0113  224.896 6.0802  2.692551       8.550118  
1 1 1 8   47  5  o 212.553 4.0190  24490.20   925.241  23647.50   1309.28  25330.86   1307.69  208.757 5.7906  216.074 5.5877  -7.317307      8.046950  
1 1 1 8   47  6  o 224.576 4.8251  27352.46   1173.65  26404.94   2041.05  27820.52   1434.53  220.309 8.5536  226.412 5.8498  -6.102585      10.36267  
1 1 1 8   47  7  o 240.836 4.7100  31456.57   1228.61  30370.12   3231.16  31640.20   1328.39  235.238 12.729  241.510 5.0783  -6.271973      13.70478  
1 1 1 8   47  8  o 182.346 3.6058  18022.73   712.138  18489.77   1445.02  17872.91   818.428  184.446 7.2333  181.560 4.1619  2.885681       8.345145  
1 1 1 8   47  9  o 187.056 3.7408  18968.16   757.898  18634.06   1536.32  19075.62   871.300  185.102 7.6630  187.555 4.2891  -2.453430      8.781731  
1 1 1 8   47  10 o 330.314 5.8433  59242.91   2090.52  56239.30   4191.38  60237.54   2411.94  320.457 12.076  332.939 6.6885  -12.48224      13.80442  
1 1 1 8   47  11 o 261.293 4.6673  37042.14   1320.87  39718.64   2655.31  36162.05   1522.62  269.878 9.0840  258.085 5.4470  11.79327       10.59195  
1 1 1 8   47  12 f 362.646 6.2734  71485.44   2464.07  71749.66   4937.69  71397.82   2843.43  361.283 12.618  362.199 7.2481  -0.9158630     14.55199  
1 1 1 8   47  13 o 241.174 4.4993  31565.72   1175.29  28814.67   2360.59  32472.41   1355.20  229.594 9.4927  244.538 5.1167  -14.94449      10.78389  
1 1 1 8   47  14 o 63.653  2.2516  2195.57    155.230  1202.60    435.184  2340.33    166.160  46.116  9.0359  65.716  2.3344  -19.60062      9.332571  
1 1 1 8   47  15 o 402.739 6.8773  88456.31   2999.93  92253.97   6007.49  87194.70   3462.56  407.162 13.622  399.363 8.0050  7.798981       15.80035  
1 1 1 8   47  16 o 157.138 3.4202  13401.61   582.100  12638.14   1175.21  13649.80   670.071  152.038 7.1366  158.534 3.9024  -6.495697      8.133885  
1 1 1 8   47  17 f 110.340 3.4344  6612.04    410.445  6029.87    719.979  6892.33    499.574  104.823 6.3717  112.588 4.0967  -7.764801      7.575123  
1 1 1 8   47  18 o 78.292  2.6435  3326.73    224.167  3799.29    594.135  3248.29    242.057  82.932  6.6709  77.347  2.8894  5.584358       7.269749  
1 1 1 8   47  19 o 27.509  6.0803  431.577    176.342  1082.19    439.856  306.979    192.488  43.130  9.6563  23.450  7.0258  19.68060       11.94176  
1 1 1 8   47  20 o 108.769 2.9215  6432.18    344.177  7000.42    757.276  6284.24    386.391  112.525 6.2379  107.449 3.3201  5.075760       7.066422  
1 1 1 8   47  21 o 150.852 3.3667  12401.13   550.084  11591.53   1124.01  12656.10   630.786  144.247 7.1944  152.257 3.8250  -8.009171      8.147985  
1 1 1 8   47  22 o 95.449  3.0656  4964.13    316.919  5310.58    668.952  4863.87    359.867  97.549  6.3663  94.388  3.5201  3.161507       7.274687  
1 1 1 8   47  23 o 37.649  1.3628  768.754    55.573   759.890    436.951  768.900    56.028   35.515  10.573  37.652  1.3739  -2.137085      10.66177  
1 1 1 8   47  24 o 77.727  2.7229  3294.70    229.227  3619.88    583.119  3235.26    249.297  79.772  6.8143  76.967  2.9905  2.804985       7.441619  
1 1 1 8   47  25 o 24.109  1.1681  315.262    30.503   2.5813     421.632  316.908    30.583   21.780  9.4976  24.172  1.1682  -2.391603      9.569159  
1 1 1 8   47  26 o 75.714  2.8417  3137.78    233.032  3340.66    581.938  3099.03    254.312  75.720  7.1816  75.162  3.1239  0.5581131      7.831662  
1 1 1 8   47  27 f 10.404  2.7939  61.465     32.148   -256.3849  428.797  63.262     32.239   18.646  8.6888  10.546  2.7821  8.099754       9.123350  
1 1 1 8   47  28 o 22.676  8.4851  295.385    280.915  0.0000     0.0000   295.385    280.915  ?       ?       22.676  8.4851  0.000000       8.485107  
1 1 1 8   47  29 f 13.887  6.7674  -464.0381  329.158  0.0000     0.0000   -464.0381  329.158  ?       ?       13.887  6.7674  0.000000       6.767390  
1 1 1 8   47  30 o 51.947  8.0470  1789.70    438.110  0.0000     0.0000   1789.70    438.110  ?       ?       51.947  8.0470  0.000000       8.046975  
1 1 1 8   47  31 o 23.925  9.8789  385.735    415.460  0.0000     0.0000   385.735    415.460  ?       ?       23.925  9.8789  0.000000       9.878917  
1 1 1 8   48  0  o 216.442 3.9325  25391.50   921.883  25193.10   1304.49  25589.45   1302.99  215.502 5.5888  217.194 5.5389  -1.691849      7.868560  
1 1 1 8   48  1  o 289.885 5.5655  45586.20   1747.45  45175.66   2681.56  45889.21   2303.77  288.238 8.5895  290.667 7.3177  -2.428680      11.28394  
1 1 1 8   48  2  o 164.334 3.2165  14633.46   572.508  15051.72   809.939  14215.81   809.357  166.620 4.4880  161.922 4.6149  4.698044       6.437364  
1 1 1 8   48  3  o 409.656 7.0389  91140.47   3123.15  89601.68   4417.10  92678.84   4416.50  405.586 10.055  412.532 9.8844  -6.945679      14.09982  
1 1 1 8   48  4  o 395.726 6.7546  85035.16   2895.09  83585.55   4094.55  86484.39   4094.00  391.791 9.6490  398.564 9.4837  -6.772980      13.52940  
1 1 1 8   48  5  o 133.697 3.0086  9685.51    435.673  9556.86    617.692  9812.86    614.589  132.767 4.2955  134.536 4.2177  -1.769180      6.019962  
1 1 1 8   48  6  o 207.848 4.0433  23420.04   910.231  22436.80   1288.63  24399.11   1285.90  203.322 5.8516  212.047 5.5989  -8.724472      8.098689  
1 1 1 8   48  7  o 99.664  2.7850  5381.95    300.631  4327.58    627.193  5696.45    342.546  89.026  6.5505  102.528 3.0846  -13.50192      7.240423  
1 1 1 8   48  8  o 367.601 6.3333  73386.61   2521.59  75453.11   5054.44  72701.86   2909.52  371.209 12.571  365.704 7.3455  5.504425       14.56012  
1 1 1 8   48  9  o 102.373 2.8676  5679.03    317.956  4967.00    676.602  5880.83    360.207  95.391  6.5891  104.168 3.1926  -8.777275      7.321819  
1 1 1 8   48  10 o 571.289 9.3744  177988.00  5800.52  190582.80  11610.41 173798.80  6696.07  585.437 18.310  563.802 10.965  21.63483       21.34266  
1 1 1 8   48  11 o 187.587 3.7097  19079.61   753.725  18783.84   1524.97  19175.21   867.031  185.771 7.5790  188.020 4.2576  -2.249039      8.693028  
1 1 1 8   48  12 o 233.407 4.3249  29556.61   1093.36  29929.06   2203.77  29435.00   1259.27  234.231 8.6866  232.856 4.9930  1.375031       10.01936  
1 1 1 8   48  13 o 189.738 3.6956  19525.59   759.475  19760.24   1534.85  19449.50   873.969  190.435 7.4413  189.320 4.2622  1.114578       8.575493  
1 1 1 8   48  14 o 139.118 3.2569  10495.59   490.745  10212.41   1090.88  10567.44   549.486  136.642 7.3985  139.570 3.6349  -2.928192      8.243225  
1 1 1 8   48  15 f 251.935 4.8491  34501.88   1323.18  36392.71   2489.02  33757.02   1562.21  257.601 8.9210  249.002 5.7925  8.598923       10.63657  
1 1 1 8   48  16 o 109.819 3.3168  6545.91    394.521  7038.17    709.068  6325.19    474.801  113.470 5.7887  107.892 4.0631  5.578117       7.072345  
1 1 1 8   48  17 o 29.289  5.8153  484.836    177.976  357.804    314.174  544.867    215.973  26.503  9.0831  30.965  6.6389  -4.462526      11.25068  
1 1 1 8   48  18 o 72.795  3.0491  2878.58    240.406  3626.20    566.712  2714.52    265.477  81.011  6.5139  70.658  3.4689  10.35242       7.379954  
1 1 1 8   48  19 o 55.293  3.4825  1670.38    207.497  1509.41    499.132  1704.01    228.145  51.169  9.3506  55.804  3.7973  -4.634174      10.09226  
1 1 1 8   48  20 o 80.909  3.1550  3561.96    276.478  3143.52    599.615  3674.95    311.577  74.847  7.4973  82.137  3.5023  -7.289536      8.275036  
1 1 1 8   48  21 o 93.270  2.8051  4732.66    283.370  5306.98    663.526  4604.54    313.385  97.680  6.3053  91.944  3.1469  5.735664       7.046988  
1 1 1 8   48  22 o 73.888  3.2981  2978.30    263.939  3251.57    569.827  2903.66    297.813  75.945  7.0065  72.775  3.7914  3.170265       7.966511  
1 1 1 8   48  23 o 103.686 3.1397  5868.78    352.601  5151.05    730.095  6087.11    402.675  95.347  7.1211  105.488 3.5244  -10.14021      7.945507  
1 1 1 8   48  24 o 73.123  3.4478  2929.10    273.068  3446.12    566.728  2772.78    311.627  77.789  6.7946  70.873  4.0768  6.916382       7.923829  
1 1 1 8   48  25 o 18.254  7.2572  115.475    214.730  -133.6251  423.131  201.878    249.204  20.235  9.1249  21.044  7.9666  -0.8085461     12.11330  
1 1 1 8   48  26 o 21.023  7.6279  227.351    224.092  297.279    433.979  201.926    261.677  25.825  10.301  21.133  8.1245  4.691324       13.11971  
1 1 1 8   48  27 o 43.812  5.3764  1110.33    249.773  1141.17    480.946  1098.94    292.279  40.853  10.731  42.992  6.4780  -2.138477      12.53451  
1 1 1 8   48  28 f 26.759  8.6063  469.428    283.186  0.0000     0.0000   469.428    283.186  ?       ?       26.759  8.6063  0.000000       8.606330  
1 1 1 8   48  29 o 28.714  9.7010  585.180    358.326  0.0000     0.0000   585.180    358.326  ?       ?       28.714  9.7010  0.000000       9.701042  
1 1 1 8   48  30 o 31.911  10.803  817.720    444.354  0.0000     0.0000   817.720    444.354  ?       ?       31.911  10.803  0.000000       10.80288  
1 1 1 8   48  31 o 28.366  10.024  635.415    384.210  0.0000     0.0000   635.415    384.210  ?       ?       28.366  10.024  0.000000       10.02362  
1 1 1 8   49  0  f 101.155 2.6934  5543.60    295.087  5772.86    409.362  5295.62    425.753  103.208 3.6621  98.843  3.9769  4.364769       5.406135  
1 1 1 8   49  1  o 122.998 3.0223  8197.16    402.629  8612.80    569.371  7781.43    569.436  126.049 4.1705  119.804 4.3884  6.244232       6.053986  
1 1 1 8   49  2  o 15.220  4.7688  124.095    87.425   251.126    126.197  6.8707     121.228  21.124  5.4718  12.468  5.2552  8.656090       7.586724  
1 1 1 8   49  3  o 98.458  2.7539  5252.14    293.678  5145.27    415.512  5358.82    415.134  97.428  3.9376  99.431  3.8547  -2.003159      5.510310  
1 1 1 8   49  4  o 176.309 3.2827  16845.21   626.875  17704.29   887.526  15989.96   885.547  180.695 4.5349  171.713 4.7614  8.982224       6.575436  
1 1 1 8   49  5  o 144.878 3.0617  11373.77   480.434  11476.77   681.417  11271.95   677.472  145.490 4.3242  144.186 4.3381  1.304596       6.125202  
1 1 1 8   49  6  o 45.175  2.0568  1105.52    100.639  1067.93    115.964  1220.21    202.559  44.332  2.4243  47.275  3.9933  -2.942604      4.671592  
1 1 1 8   49  7  o 53.079  3.3347  1532.94    190.736  1204.10    369.737  1652.18    222.649  46.463  7.6107  55.080  3.7545  -8.617252      8.486410  
1 1 1 8   49  8  o 43.008  1.8573  1001.93    86.517   1005.27    105.368  995.018    151.571  43.017  2.2696  42.720  3.3014  0.2965279      4.006256  
1 1 1 8   49  9  o 411.493 6.9570  92038.81   3100.65  93489.47   6211.79  91557.43   3578.31  412.450 13.905  410.158 8.0548  2.291779       16.06965  
1 1 1 8   49  10 o 189.404 3.8667  19451.73   793.240  18666.53   1963.86  19604.81   867.124  184.656 9.8549  190.126 4.2109  -5.470200      10.71678  
1 1 1 8   49  11 o 526.642 8.8917  151295.00  5071.91  149614.70  10151.78 151854.00  5855.01  517.853 18.099  526.983 10.258  -9.130005      20.80422  
1 1 1 8   49  12 o 36.334  1.0629  714.998    41.830   793.247    61.548   647.830    57.024   38.268  1.4849  34.583  1.5224  3.685265       2.126673  
1 1 1 8   49  13 o 216.183 4.1016  25359.44   960.389  24603.68   1933.77  25606.88   1106.49  212.269 8.4110  217.168 4.7042  -4.898666      9.637132  
1 1 1 8   49  14 o 142.546 3.2042  11019.65   494.700  11246.60   1008.43  10947.73   567.703  143.690 6.4796  142.047 3.6899  1.643219       7.456627  
1 1 1 8   49  15 o 82.516  2.8222  3692.41    252.230  3623.69    534.875  3712.06    286.030  81.313  6.1181  82.719  3.1925  -1.406006      6.900952  
1 1 1 8   49  16 o 155.290 3.9159  13103.45   658.642  11714.16   1146.50  13787.82   804.677  146.236 7.2385  159.182 4.6672  -12.94543      8.612703  
1 1 1 8   49  17 o 107.976 3.4222  6334.45    400.219  6012.85    696.520  6492.96    489.005  104.639 6.1730  109.237 4.1331  -4.597786      7.428920  
1 1 1 8   49  18 o 110.754 3.0832  6665.16    369.857  6427.95    787.308  6732.34    418.966  107.875 6.7727  111.260 3.4767  -3.384605      7.612952  
1 1 1 8   49  19 o 70.760  3.1584  2723.01    242.058  2411.36    558.284  2795.16    268.620  65.383  8.0538  71.661  3.4609  -6.277878      8.765938  
1 1 1 8   49  20 o 43.166  4.2901  1028.11    197.923  1287.84    469.597  972.011    218.255  46.941  9.5612  41.839  4.9097  5.101944       10.74809  
1 1 1 8   49  21 o 54.805  3.6420  1646.61    214.956  1945.82    499.495  1578.61    238.135  58.304  8.1311  53.561  4.1370  4.742725       9.123028  
1 1 1 8   49  22 f 52.774  2.2837  1513.75    130.533  1589.16    577.829  1509.69    133.997  51.348  10.735  52.698  2.3477  -1.350117      10.98902  
1 1 1 8   49  23 o 38.508  5.1492  834.453    209.382  717.829    460.045  864.923    235.150  34.579  10.953  39.047  5.7306  -4.468510      12.36194  
1 1 1 8   49  24 o 71.137  3.4599  2773.49    266.582  3531.03    559.481  2550.99    303.215  78.793  6.6171  67.931  4.1409  10.86169       7.805986  
1 1 1 8   49  25 o 55.478  4.2897  1711.90    255.756  1471.07    504.378  1795.26    296.734  48.761  9.8886  56.602  4.8881  -7.841911      11.03080  
1 1 1 8   49  26 o 59.115  4.3657  1954.56    277.545  1859.57    520.581  1992.29    328.058  54.933  9.0659  59.319  5.1574  -4.386242      10.43018  
1 1 1 8   49  27 f 32.540  1.4619  575.928    51.523   479.749    451.385  577.198    51.862   28.011  10.694  32.575  1.4699  -4.564203      10.79422  
1 1 1 8   49  28 o 41.338  8.5134  1118.21    368.479  0.0000     0.0000   1118.21    368.479  ?       ?       41.338  8.5134  0.000000       8.513375  
1 1 1 8   49  29 o 29.627  9.6926  628.765    358.317  0.0000     0.0000   628.765    358.317  ?       ?       29.627  9.6926  0.000000       9.692650  
1 1 1 8   49  30 o 33.796  9.5310  845.125    363.971  0.0000     0.0000   845.125    363.971  ?       ?       33.796  9.5310  0.000000       9.530955  
1 1 1 8   49  31 o 33.113  10.458  891.214    419.622  0.0000     0.0000   891.214    419.622  ?       ?       33.113  10.458  0.000000       10.45819  
1 1 1 8   50  0  o 209.494 4.0622  23790.27   921.727  24399.39   1304.57  23183.11   1302.47  212.061 5.6798  206.699 5.8178  5.362595       8.130643  
1 1 1 8   50  1  o 222.847 4.2576  26922.54   1027.63  25394.34   1452.90  28452.38   1453.68  216.300 6.2017  228.981 5.8614  -12.68120      8.533237  
1 1 1 8   50  2  o 104.428 2.7075  5908.39    306.235  5840.77    424.977  5981.43    441.669  103.808 3.7798  105.048 3.8819  -1.240128      5.418080  
1 1 1 8   50  3  o 145.682 3.0818  11500.09   486.273  12010.53   687.992  10990.53   687.395  148.840 4.2677  142.373 4.4577  6.467514       6.171240  
1 1 1 8   50  4  o 250.214 4.4792  33947.54   1213.91  34586.77   1717.36  33309.26   1716.08  252.405 6.2819  247.688 6.3968  4.716614       8.965578  
1 1 1 8   50  5  o 189.692 3.6609  19503.52   752.144  20409.87   1065.25  18602.45   1062.15  193.972 5.0704  185.170 5.2959  8.801758       7.331828  
1 1 1 8   50  6  o 147.791 3.1834  11836.69   509.573  11967.63   722.500  11707.09   718.806  148.556 4.4903  146.928 4.5168  1.627151       6.369063  
1 1 1 8   50  7  o 399.849 8.6489  87038.09   3745.64  77947.55   8844.85  89024.63   4134.70  372.506 22.020  404.183 9.4449  -31.67706      23.96029  
1 1 1 8   50  8  o 213.532 4.1662  24724.09   963.555  21794.16   1941.23  25681.94   1109.94  200.018 8.9607  217.590 4.7097  -17.57246      10.12296  
1 1 1 8   50  9  o 175.766 3.6114  16747.83   687.512  15918.84   1397.42  17012.57   789.697  171.064 7.5422  177.122 4.1164  -6.058578      8.592409  
1 1 1 8   50  10 o 172.331 3.4923  16099.97   651.836  15789.92   1326.42  16198.69   748.446  170.372 7.1881  172.830 3.9983  -2.457870      8.225222  
1 1 1 8   50  11 o 439.919 7.3221  105337.60  3488.81  112461.00  6987.78  102972.40  4026.58  451.360 14.294  434.552 8.5551  16.80807       16.65835  
1 1 1 8   50  12 o 184.518 3.6318  18464.32   725.823  19297.56   1470.40  18195.88   834.590  188.245 7.2118  183.128 4.2077  5.117188       8.349535  
1 1 1 8   50  13 o 86.301  2.5552  4036.65    238.841  3479.28    555.639  4162.98    264.527  79.685  6.4944  87.634  2.7869  -7.948860      7.067121  
1 1 1 8   50  14 o 37.835  3.7411  784.382    151.296  902.289    354.007  758.033    167.350  39.866  8.4604  37.124  4.2379  2.742237       9.462470  
1 1 1 8   50  15 o 100.415 2.8918  5469.14    314.514  5148.39    654.495  5565.45    358.637  96.949  6.2665  101.273 3.2696  -4.324875      7.068172  
1 1 1 8   50  16 o 59.704  3.6177  1943.38    232.835  1488.47    413.388  2154.75    281.781  51.541  7.6362  62.814  4.1654  -11.27298      8.698417  
1 1 1 8   50  17 o 163.191 4.0584  14493.36   717.336  13300.58   1262.59  15061.91   871.689  155.412 7.5008  166.188 4.8428  -10.77568      8.928255  
1 1 1 8   50  18 o 133.258 3.1228  9651.52    450.715  10602.56   946.514  9372.63    512.558  138.905 6.2913  131.240 3.6058  7.665329       7.251372  
1 1 1 8   50  19 o 59.255  3.6834  1920.06    235.225  0.0000     0.0000   1920.06    235.225  ?       ?       59.255  3.6834  0.000000       3.683359  
1 1 1 8   50  20 o 86.737  2.7981  4090.90    262.866  4116.77    639.988  4085.66    288.308  85.858  6.9414  86.646  3.0721  -0.7870560     7.590894  
1 1 1 8   50  21 o 63.198  3.3865  2184.30    230.960  2450.17    528.840  2121.64    256.738  65.729  7.5666  62.197  3.8297  3.531979       8.480548  
1 1 1 8   50  22 o 43.245  4.5289  1038.59    208.981  1161.88    476.171  1009.18    232.577  43.890  10.209  42.463  5.1632  1.427387       11.44056  
1 1 1 8   50  23 o 35.270  5.5547  707.241    205.177  778.638    457.602  689.276    229.544  35.736  10.861  34.571  6.3648  1.165134       12.58863  
1 1 1 8   50  24 o 53.063  4.3329  1564.32    246.853  1215.45    500.948  1676.20    283.687  44.081  10.618  54.775  4.8312  -10.69404      11.66574  
1 1 1 8   50  25 o 46.099  4.9357  1196.42    242.609  919.405    486.205  1288.26    279.952  37.884  11.121  47.630  5.5296  -9.746231      12.41964  
1 1 1 8   50  26 o 23.206  7.7471  311.060    228.489  568.603    446.104  219.470    266.033  30.369  10.793  21.496  8.2088  8.873163       13.56033  
1 1 1 8   50  27 o 39.075  6.0538  908.029    247.921  1096.58    475.755  837.740    290.478  39.463  10.811  36.618  7.5740  2.845642       13.20034  
1 1 1 8   50  28 o 34.674  8.9156  810.331    336.703  0.0000     0.0000   810.331    336.703  ?       ?       34.674  8.9156  0.000000       8.915635  
1 1 1 8   50  29 o 27.341  10.151  529.911    400.456  0.0000     0.0000   529.911    400.456  ?       ?       27.341  10.151  0.000000       10.15054  
1 1 1 8   50  30 o 39.679  9.3648  1139.65    395.990  0.0000     0.0000   1139.65    395.990  ?       ?       39.679  9.3648  0.000000       9.364841  
1 1 1 8   50  31 o 16.139  7.7008  -261.5571  375.165  0.0000     0.0000   -261.5571  375.165  ?       ?       16.139  7.7008  0.000000       7.700782  
1 1 1 8   51  0  o 287.663 5.1878  44885.82   1616.36  43321.45   2286.41  46448.74   2285.34  282.361 7.4762  292.408 7.2159  -10.04742      10.39050  
1 1 1 8   51  1  f 114.779 2.8545  7138.07    354.869  7028.84    500.617  7248.39    503.113  113.869 4.0591  115.635 4.0170  -1.765892      5.710774  
1 1 1 8   51  2  o 134.710 2.9641  9832.73    432.476  10166.18   612.462  9501.13    610.769  136.940 4.1293  132.381 4.2597  4.559433       5.932658  
1 1 1 8   51  3  o 145.752 3.2867  11512.33   518.853  10907.87   758.614  12043.61   711.215  141.814 4.9389  149.037 4.4059  -7.223328      6.618548  
1 1 1 8   51  4  o 71.130  2.2891  2740.92    176.356  2870.67    223.648  2527.59    286.765  72.788  2.8368  68.173  3.8999  4.614799       4.822511  
1 1 1 8   51  5  o 120.310 2.9387  7843.24    382.935  7729.26    546.206  7953.41    537.015  119.396 4.2237  121.120 4.0936  -1.723228      5.881924  
1 1 1 8   51  6  o 61.866  2.7707  2073.82    185.656  2235.07    269.892  1928.98    255.788  64.090  3.9067  59.516  3.9912  4.574577       5.584928  
1 1 1 8   51  7  o 238.520 4.9666  30864.32   1283.09  32762.45   2232.72  29928.36   1567.83  245.341 8.4022  234.763 6.1660  10.57813       10.42192  
1 1 1 8   51  8  o 273.164 5.0290  40487.96   1487.91  36767.09   2985.71  41717.35   1716.20  259.442 10.625  277.201 5.7161  -17.75955      12.06520  
1 1 1 8   51  9  o 75.931  2.7205  3124.22    223.737  3394.86    510.339  3059.82    248.936  78.829  6.0228  75.138  3.0588  3.690926       6.755084  
1 1 1 8   51  10 o 207.276 3.9166  23299.22   879.281  24199.20   1778.76  23008.20   1011.51  210.809 7.7904  205.929 4.5350  4.880325       9.014244  
1 1 1 8   51  11 o 121.146 2.9825  7954.92    391.344  8523.04    810.612  7782.27    446.870  125.232 5.9762  119.806 3.4437  5.425583       6.897451  
1 1 1 8   51  12 o 37.866  3.5623  784.461    144.379  1320.62    364.600  684.749    157.233  48.739  7.1165  35.276  4.1977  13.46301       8.262298  
1 1 1 8   51  13 f 185.732 3.7294  18716.05   750.225  18464.45   1515.14  18797.78   863.513  183.945 7.6049  186.082 4.2844  -2.137527      8.728777  
1 1 1 8   51  14 o 136.438 3.2206  10098.07   475.931  9412.08    949.930  10327.98   549.930  131.189 6.7078  137.947 3.6806  -6.758057      7.651215  
1 1 1 8   51  15 f 162.314 3.5296  14303.75   620.508  14321.99   1205.33  14297.17   723.787  161.846 6.8760  162.202 4.1199  -0.3558502     8.015755  
1 1 1 8   51  16 o 124.454 3.4943  8414.14    471.021  9166.51    817.179  8039.81    576.407  129.542 5.8242  121.547 4.3784  7.995438       7.286383  
1 1 1 8   51  17 o 56.181  3.8338  1725.27    231.895  1980.07    476.090  1646.02    265.521  59.472  7.5620  54.769  4.5163  4.703293       8.807988  
1 1 1 8   51  18 f 70.054  3.1171  2667.77    236.513  2702.57    543.897  2659.66    262.645  69.558  7.3298  69.916  3.4684  -0.3583755     8.108933  
1 1 1 8   51  19 o 88.157  2.7304  4223.00    260.706  4463.04    640.731  4175.37    285.399  89.654  6.6457  87.627  3.0071  2.027138       7.294364  
1 1 1 8   51  20 o 64.939  3.4532  2305.05    242.012  1926.72    539.900  2400.19    270.735  57.822  8.9067  66.208  3.7912  -8.385601      9.680039  
1 1 1 8   51  21 o 58.705  2.2220  1872.20    141.283  1679.35    509.624  1888.26    147.047  53.666  9.0923  58.949  2.3031  -5.283443      9.379406  
1 1 1 8   51  22 o 26.087  6.6945  395.247    190.099  177.946    443.471  444.164    210.410  25.043  10.258  27.606  7.0209  -2.563629      12.43058  
1 1 1 8   51  23 o 22.296  6.8314  282.602    180.546  94.419     443.167  320.051    197.696  23.687  10.019  23.617  7.1302  0.7004738E-01  12.29747  
1 1 1 8   51  24 o 83.815  3.4077  3851.81    309.353  3890.92    630.669  3839.41    354.993  82.278  7.1480  83.513  3.9246  -1.234512      8.154531  
1 1 1 8   51  25 o 92.540  3.3706  4703.46    337.841  4924.43    676.946  4630.17    389.863  92.517  6.8033  91.587  3.9302  0.9300613      7.856920  
1 1 1 8   51  26 o 62.666  4.0728  2193.48    274.940  1967.21    542.515  2271.68    318.929  55.977  9.2728  63.477  4.6716  -7.500290      10.38308  
1 1 1 8   51  27 o 53.503  5.4358  1668.38    310.626  0.0000     0.0000   1668.38    310.626  ?       ?       53.503  5.4358  0.000000       5.435807  
1 1 1 8   51  28 o 62.054  6.2056  2311.56    411.493  0.0000     0.0000   2311.56    411.493  ?       ?       62.054  6.2056  0.000000       6.205620  
1 1 1 8   51  29 o 18.190  8.2101  -20.1537   343.427  0.0000     0.0000   -20.1537   343.427  ?       ?       18.190  8.2101  0.000000       8.210073  
1 1 1 8   51  30 o 33.128  9.9441  842.457    385.342  0.0000     0.0000   842.457    385.342  ?       ?       33.128  9.9441  0.000000       9.944076  
1 1 1 8   52  0  o 219.515 4.3080  26125.61   1024.26  26682.52   1449.84  25570.72   1447.21  221.720 6.0373  217.042 6.1563  4.678116       8.622578  
1 1 1 8   52  1  o 262.741 5.6970  37460.36   1621.23  34726.11   2813.07  38820.19   1983.83  252.396 10.290  267.347 6.8511  -14.95123      12.36234  
1 1 1 8   52  2  o 405.301 7.1222  89244.35   3126.52  85404.77   4421.84  93082.99   4421.30  395.795 10.315  413.318 9.8763  -17.52344      14.28068  
1 1 1 8   52  3  f 363.993 6.3037  71934.08   2485.17  70479.33   3514.76  73388.48   3514.36  359.813 9.0188  367.202 8.8363  -7.389221      12.62613  
1 1 1 8   52  4  o 148.334 3.1567  11923.62   507.164  12452.19   718.196  11397.86   716.285  151.540 4.3757  144.975 4.5617  6.565277       6.321016  
1 1 1 8   52  5  o 87.005  2.7471  4101.55    258.869  4140.79    368.527  4063.33    363.714  87.397  3.8932  86.576  3.8787  0.8209076      5.495577  
1 1 1 8   52  6  o 85.805  2.6379  3989.13    245.155  4104.31    351.982  3880.61    341.653  87.013  3.7348  84.609  3.7282  2.404305       5.277114  
1 1 1 8   52  7  o 107.840 3.2826  6303.05    383.413  6287.24    683.801  6310.30    463.052  107.448 5.8983  107.882 3.9629  -0.4345474     7.105923  
1 1 1 8   52  8  o 170.313 3.3672  15722.70   621.128  18020.96   1262.12  14988.20   713.511  182.121 6.3984  166.258 3.9623  15.86305       7.525921  
1 1 1 8   52  9  o 321.665 5.6033  56186.44   1952.17  57590.96   3917.80  55722.54   2251.60  324.355 11.152  320.185 6.4926  4.170319       12.90429  
1 1 1 8   52  10 o 139.111 3.1731  10489.84   478.090  9103.76    985.786  10916.12   546.686  129.163 7.0734  141.892 3.5572  -12.72868      7.917475  
1 1 1 8   52  11 o 276.354 5.1282  41473.57   1534.96  47135.79   2883.52  39234.66   1813.21  293.755 9.0629  268.614 6.2323  25.14133       10.99899  
1 1 1 8   52  12 o 163.062 3.4080  14419.51   601.899  15282.02   1225.36  14145.22   691.007  167.526 6.7532  161.464 3.9513  6.061172       7.824233  
1 1 1 8   52  13 o 183.557 3.6243  18280.87   720.542  19674.27   1457.48  17830.16   828.926  189.922 7.0853  181.219 4.2232  8.702667       8.248423  
1 1 1 8   52  14 o 243.857 4.4319  32315.37   1170.56  31923.61   2352.78  32444.23   1349.42  241.077 9.0107  244.206 5.1018  -3.129333      10.35471  
1 1 1 8   52  15 o 136.776 3.1133  10152.72   461.219  11093.60   940.715  9854.98    529.187  142.546 6.0930  134.704 3.6271  7.841461       7.090883  
1 1 1 8   52  16 o 129.962 3.6008  9179.62    506.861  9264.01    886.658  9138.66    617.750  130.082 6.2932  129.557 4.4023  0.5244751      7.680134  
1 1 1 8   52  17 o 53.965  4.3448  1597.42    251.804  1619.81    467.217  1588.26    298.933  53.467  8.3402  53.661  5.2090  -0.1938477     9.833206  
1 1 1 8   52  18 f 30.037  5.2151  507.836    163.513  435.457    405.425  521.897    178.691  29.269  10.302  30.377  5.6386  -1.108780      11.74377  
1 1 1 8   52  19 o 75.780  3.1412  3124.54    257.819  3381.72    580.870  3061.45    287.712  77.839  6.9634  74.963  3.5436  2.876183       7.813176  
1 1 1 8   52  20 o 120.987 3.1594  7972.42    414.010  7663.55    864.215  8064.42    471.654  117.220 6.8366  121.585 3.5816  -4.365517      7.717940  
1 1 1 8   52  21 o 175.206 3.6088  16766.68   684.834  17475.60   1395.43  16541.77   786.001  176.567 7.2967  173.776 4.1760  2.790710       8.407222  
1 1 1 8   52  22 o 52.168  3.9699  1500.37    222.632  1723.93    504.415  1446.28    248.106  54.180  8.9051  51.077  4.5319  3.103481       9.991951  
1 1 1 8   52  23 o 70.684  2.7431  2724.68    210.005  2722.77    569.269  2724.98    225.941  68.627  7.7971  70.649  2.9527  -2.022354      8.337456  
1 1 1 8   52  24 o 74.797  2.8218  3056.14    228.605  2424.55    592.902  3166.42    247.762  63.814  8.8134  76.091  3.0063  -12.27652      9.312076  
1 1 1 8   52  25 o 87.434  2.9748  4188.07    281.715  4003.65    653.430  4230.17    312.223  82.831  7.3602  87.762  3.2846  -4.931313      8.059834  
1 1 1 8   52  26 o 32.870  1.5608  587.654    55.569   65.064     457.181  595.491    55.984   22.575  9.8656  33.088  1.5621  -10.51386      9.988535  
1 1 1 8   52  27 o 52.716  5.7866  1638.13    324.966  0.0000     0.0000   1638.13    324.966  ?       ?       52.716  5.7866  0.000000       5.786638  
1 1 1 8   52  28 o 40.587  8.6044  1092.98    366.508  0.0000     0.0000   1092.98    366.508  ?       ?       40.587  8.6044  0.000000       8.604358  
1 1 1 8   52  29 o 28.308  9.3541  572.881    333.417  0.0000     0.0000   572.881    333.417  ?       ?       28.308  9.3541  0.000000       9.354115  
1 1 1 8   52  30 o 17.496  8.0636  -74.8425   354.231  0.0000     0.0000   -74.8425   354.231  ?       ?       17.496  8.0636  0.000000       8.063606  
1 1 1 8   53  0  o 300.464 5.7166  48991.69   1860.39  49422.80   2858.12  48674.75   2450.61  301.364 8.7563  299.259 7.5606  2.105255       11.56872  
1 1 1 8   53  1  o 332.135 5.7575  59867.15   2071.19  59619.68   2929.28  60114.56   2928.92  331.093 8.1685  332.470 8.1336  -1.377319      11.52735  
1 1 1 8   53  2  o 356.852 6.1838  69134.16   2390.07  69648.97   3380.75  68619.75   3379.40  357.740 8.7252  355.074 8.7872  2.665466       12.38321  
1 1 1 8   53  3  o 288.473 5.4702  45155.26   1709.13  46967.27   2620.96  43814.65   2254.40  293.836 8.2354  283.935 7.3306  9.901245       11.02542  
1 1 1 8   53  4  o 124.718 2.9824  8428.65    402.866  8496.95    576.727  8363.55    562.998  125.183 4.2536  124.199 4.1852  0.9841309      5.967338  
1 1 1 8   53  5  f 77.117  2.6900  3222.24    224.683  3217.44    320.572  3226.87    315.001  77.039  3.8419  77.153  3.7695  -0.1142349     5.382314  
1 1 1 8   53  6  o 316.539 5.5415  54383.98   1899.88  54267.86   2688.08  54499.88   2685.60  315.842 7.8578  316.521 7.8337  -0.6788635     11.09561  
1 1 1 8   53  7  o 197.967 4.0341  21250.75   864.985  19549.88   1303.80  22587.91   1156.03  189.703 6.3455  204.012 5.2317  -14.30963      8.224132  
1 1 1 8   53  8  o 190.837 3.6662  19744.84   757.791  21171.14   1533.19  19283.77   871.711  197.297 7.1747  188.558 4.2683  8.738632       8.348360  
1 1 1 8   53  9  o 111.016 2.9026  6679.49    349.012  6703.22    739.460  6672.69    395.881  110.894 6.1811  110.948 3.2944  -0.5335999E-01 7.004204  
1 1 1 8   53  10 f 105.727 2.8350  6058.36    324.641  6490.48    694.392  5937.49    367.247  109.132 5.8965  104.655 3.2399  4.477791       6.727983  
1 1 1 8   53  11 o 45.055  3.8034  1108.91    183.867  765.968    387.628  1208.48    208.858  36.752  9.6241  47.012  4.1441  -10.26060      10.47842  
1 1 1 8   53  12 o 102.623 2.8559  5709.33    317.433  5726.09    672.839  5704.52    360.017  102.403 6.0939  102.564 3.2408  -0.1609573     6.902068  
1 1 1 8   53  13 o 273.918 4.8738  40782.66   1445.96  41784.70   2903.18  40452.09   1667.50  275.763 9.7200  272.635 5.6470  3.128326       11.24131  
1 1 1 8   53  14 o 229.147 4.2431  28534.56   1053.11  30487.56   2119.50  27894.36   1213.50  235.712 8.3020  226.422 4.9482  9.290421       9.664770  
1 1 1 8   53  15 o 109.511 2.9128  6507.70    345.494  6027.02    716.673  6653.23    394.343  104.809 6.3431  110.698 3.2890  -5.888794      7.145105  
1 1 1 8   53  16 o 105.311 3.4518  6027.20    393.721  6538.80    728.759  5816.33    467.882  109.095 6.1930  103.368 4.1791  5.727287       7.471176  
1 1 1 8   53  17 o 75.400  3.7125  3094.14    303.186  3007.88    549.070  3131.97    363.653  73.570  6.9739  75.648  4.4580  -2.077995      8.277037  
1 1 1 8   53  18 o 43.061  1.8295  1005.61    85.328   691.218    422.265  1019.00    87.125   34.676  10.410  43.346  1.8558  -8.669937      10.57390  
1 1 1 8   53  19 o 62.941  3.3154  2163.04    225.221  2792.25    512.395  2012.36    250.742  70.701  6.7743  60.617  3.8389  10.08315       7.786389  
1 1 1 8   53  20 o 41.774  1.8622  946.976    84.255   402.209    468.734  965.166    85.650   29.277  10.960  42.173  1.8751  -12.89580      11.11877  
1 1 1 8   53  21 f 59.152  3.6296  1918.98    231.415  1230.12    615.438  2032.41    249.743  44.614  12.327  60.843  3.8089  -16.22944      12.90201  
1 1 1 8   53  22 o 81.448  3.2476  3623.64    286.492  3080.02    615.910  3773.74    323.635  73.207  7.8926  83.036  3.5985  -9.829460      8.674200  
1 1 1 8   53  23 f 107.421 3.2321  6312.32    376.047  6049.89    773.626  6393.51    430.302  103.096 6.9691  107.950 3.6803  -4.853256      7.881162  
1 1 1 8   53  24 o 58.863  4.1686  1921.52    264.047  1867.93    532.947  1938.96    303.979  55.667  9.1577  58.906  4.8064  -3.238384      10.34240  
1 1 1 8   53  25 o 82.771  3.5577  3774.81    318.947  3502.80    631.968  3867.78    369.450  77.075  7.6722  83.558  4.0822  -6.482544      8.690647  
1 1 1 8   53  26 o 52.773  4.5395  1577.42    256.948  1806.84    518.073  1502.57    295.907  53.076  9.3538  51.018  5.4389  2.057758       10.82016  
1 1 1 8   53  27 o 20.820  8.6548  162.138    321.977  0.0000     0.0000   162.138    321.977  ?       ?       20.820  8.6548  0.000000       8.654834  
1 1 1 8   53  28 o 20.545  8.6845  151.103    332.595  0.0000     0.0000   151.103    332.595  ?       ?       20.545  8.6845  0.000000       8.684511  
1 1 1 8   53  29 o 19.751  8.5867  109.329    342.449  0.0000     0.0000   109.329    342.449  ?       ?       19.751  8.5867  0.000000       8.586727  
1 1 1 8   53  30 o 25.028  9.6218  443.524    367.028  0.0000     0.0000   443.524    367.028  ?       ?       25.028  9.6218  0.000000       9.621845  
1 1 1 8   54  0  o 105.370 2.7397  6015.75    312.672  6020.16    444.650  6011.44    439.759  105.383 3.8956  105.307 3.8555  0.7531738E-01  5.480989  
1 1 1 8   54  1  o 265.461 4.8706  38222.51   1400.41  37692.72   1980.78  38751.96   1980.16  263.404 6.9430  267.091 6.8450  -3.687225      9.749776  
1 1 1 8   54  2  o 274.945 4.8506  41002.81   1444.49  41139.67   2043.26  40866.07   2042.39  275.189 6.8552  274.270 6.8753  0.9191284      9.708935  
1 1 1 8   54  3  o 204.743 3.7984  22723.87   842.323  22881.34   1191.74  22566.66   1190.71  205.352 5.3581  203.932 5.3908  1.419388       7.600655  
1 1 1 8   54  4  o 101.965 2.8420  5633.56    313.866  5701.33    444.742  5566.32    443.011  102.548 4.0042  101.325 4.0367  1.222382       5.685795  
1 1 1 8   54  5  o 114.755 3.0065  7136.24    373.683  6513.75    525.618  7772.41    531.364  109.594 4.4281  119.727 4.0976  -10.13335      6.033073  
1 1 1 8   54  6  o 168.112 3.4069  15318.65   620.333  15340.33   879.601  15297.19   874.982  168.156 4.8295  167.920 4.8109  0.2354431      6.816824  
1 1 1 8   54  7  o 225.305 4.0959  27527.83   999.524  27533.51   1416.16  27522.19   1410.94  225.173 5.8067  225.129 5.7864  0.4414368E-01  8.197509  
1 1 1 8   54  8  o 165.637 3.9131  14877.70   702.010  14668.09   1229.05  14979.20   855.251  164.234 6.9093  166.148 4.7526  -1.914490      8.386038  
1 1 1 8   54  9  o 161.458 3.3697  14132.58   589.279  14904.23   1206.87  13891.03   675.242  165.546 6.7309  160.044 3.8954  5.501877       7.776819  
1 1 1 8   54  10 f 165.993 3.4204  14940.08   614.940  15285.48   1255.36  14831.03   705.363  167.583 6.9162  165.353 3.9385  2.230255       7.959015  
1 1 1 8   54  11 o 179.227 3.5611  17422.20   691.288  18608.84   1405.46  17043.50   793.969  184.829 7.0206  177.222 4.1363  7.607254       8.148521  
1 1 1 8   54  12 o 127.033 3.0365  8750.41    417.791  9296.05    866.627  8585.21    476.863  130.676 6.1230  125.801 3.4998  4.874771       7.052655  
1 1 1 8   54  13 o 97.121  2.8093  5115.04    295.517  5162.37    591.682  5099.31    341.110  97.212  5.6438  96.950  3.2484  0.2618561      6.511908  
1 1 1 8   54  14 o 78.445  2.8629  3338.21    243.246  2992.85    516.674  3436.55    275.712  73.730  6.5378  79.575  3.1990  -5.845345      7.278458  
1 1 1 8   54  15 o 128.861 3.0650  9014.35    427.775  8393.71    869.226  9212.71    491.402  123.655 6.5131  130.225 3.4840  -6.570251      7.386352  
1 1 1 8   54  16 o 191.776 4.4391  20042.86   922.056  19793.03   1610.85  20164.60   1124.50  189.317 7.8559  192.068 5.4055  -2.750351      9.535935  
1 1 1 8   54  17 o 132.968 3.8151  9627.99    549.445  9074.67    952.531  9903.90    672.625  128.118 6.8896  134.688 4.6108  -6.570114      8.290133  
1 1 1 8   54  18 f 38.171  4.5038  806.838    182.619  216.979    422.519  942.344    202.512  25.630  10.183  41.273  4.6089  -15.64248      11.17761  
1 1 1 8   54  19 f 91.000  3.0270  4506.12    298.349  4476.83    627.873  4514.67    339.074  89.711  6.5061  91.023  3.4393  -1.311981      7.359226  
1 1 1 8   54  20 o 130.719 3.1776  9310.31    449.887  9967.69    938.073  9113.95    512.695  133.982 6.4643  129.204 3.6637  4.778946       7.430274  
1 1 1 8   54  21 f 108.097 2.9423  6367.23    344.491  6650.78    768.873  6296.01    385.332  108.983 6.5439  107.402 3.3125  1.581200       7.334554  
1 1 1 8   54  22 o 58.544  2.4740  1865.79    156.873  1798.81    521.429  1872.46    164.494  55.173  9.0388  58.634  2.5902  -3.460865      9.402576  
1 1 1 8   54  23 o 60.806  3.8757  2040.36    253.923  2327.77    545.438  1960.84    286.909  63.062  8.1781  59.415  4.4916  3.647377       9.330361  
1 1 1 8   54  24 o 82.750  3.4920  3759.98    312.977  3503.61    631.014  3843.63    360.436  77.614  7.6041  83.492  3.9858  -5.878365      8.585343  
1 1 1 8   54  25 o 64.443  3.8904  2306.66    270.275  2285.03    557.291  2313.31    309.053  61.297  8.6333  64.284  4.4665  -2.986797      9.720238  
1 1 1 8   54  26 o 29.024  7.2620  523.032    227.727  132.289    466.588  645.217    260.914  23.231  10.061  32.113  7.6167  -8.881557      12.61915  
1 1 1 8   54  27 o 33.634  8.9826  758.377    333.408  0.0000     0.0000   758.377    333.408  ?       ?       33.634  8.9826  0.000000       8.982577  
1 1 1 8   54  28 o 19.635  8.4672  99.446     327.606  0.0000     0.0000   99.446     327.606  ?       ?       19.635  8.4672  0.000000       8.467235  
1 1 1 8   54  29 o 14.583  7.0229  -344.7447  328.398  0.0000     0.0000   -344.7447  328.398  ?       ?       14.583  7.0229  0.000000       7.022875  
1 1 1 8   54  30 o 17.492  7.9180  -16.4816   322.135  0.0000     0.0000   -16.4816   322.135  ?       ?       17.492  7.9180  0.000000       7.917967  
1 1 1 8   55  0  o 40.577  3.2941  898.187    143.523  775.037    206.989  1012.22    199.181  37.433  5.2497  42.988  4.3371  -5.555611      6.809561  
1 1 1 8   55  1  o 184.568 3.5794  18464.06   715.541  18360.25   1011.64  18567.98   1012.21  183.968 5.0771  185.008 5.0514  -1.039459      7.161945  
1 1 1 8   55  2  o 277.727 5.3983  41854.20   1623.85  42408.14   2488.13  41443.19   2143.22  279.193 8.2281  276.152 7.1655  3.041412       10.91081  
1 1 1 8   55  3  o 46.461  2.2726  1169.45    114.362  968.295    132.019  1774.15    228.901  42.172  2.9081  57.088  3.7223  -14.91587      4.723623  
1 1 1 8   55  4  o 205.126 4.1393  22814.94   919.643  23154.25   1387.18  22548.87   1228.39  206.486 6.2026  203.824 5.5643  2.661942       8.332668  
1 1 1 8   55  5  o 243.681 4.5093  32207.11   1190.15  30477.84   1683.84  33933.41   1682.40  236.846 6.5640  249.954 6.2144  -13.10840      9.039039  
1 1 1 8   55  6  o 568.220 9.3877  176084.09  5777.55  176787.70  8171.69  175380.91  8169.69  567.361 13.298  565.069 13.349  2.291931       18.84189  
1 1 1 8   55  7  o 357.423 6.1507  69407.50   2381.11  70546.68   3369.20  68270.76   3365.60  359.778 8.6461  353.892 8.7805  5.886200       12.32288  
1 1 1 8   55  8  o 152.897 3.7193  12675.85   615.928  13213.29   1083.36  12419.17   748.704  155.913 6.4153  151.293 4.5690  4.620163       7.876060  
1 1 1 8   55  9  f 157.057 3.2785  13372.68   557.706  14967.74   1141.31  12872.34   639.221  165.916 6.3511  154.061 3.8308  11.85509       7.416958  
1 1 1 8   55  10 o 121.469 3.0076  7998.45    395.684  7598.47    826.657  8117.32    450.664  117.999 6.4931  122.351 3.4008  -4.351753      7.329753  
1 1 1 8   55  11 o 66.214  2.7841  2376.69    199.669  2640.61    468.475  2318.11    220.721  69.371  6.3039  65.385  3.1167  3.985794       7.032259  
1 1 1 8   55  12 o 80.729  2.4418  3532.59    213.507  4472.53    525.676  3346.91    233.647  90.520  5.3860  78.570  2.7456  11.95100       6.045435  
1 1 1 8   55  13 o 167.434 3.4242  15214.94   620.971  15691.60   1260.81  15062.29   713.512  169.481 6.8684  166.531 3.9558  2.949753       7.926159  
1 1 1 8   55  14 o 155.833 3.3411  13184.09   563.928  13192.41   1143.74  13181.42   648.196  155.271 6.8009  155.754 3.8423  -0.4829712     7.811246  
1 1 1 8   55  15 o 55.277  3.1405  1664.61    187.250  1759.35    481.289  1647.71    203.265  55.919  8.1892  54.963  3.4316  0.9559212      8.879129  
1 1 1 8   55  16 o 117.328 3.5118  7486.23    446.273  7330.10    814.656  7553.17    533.434  115.325 6.5490  117.749 4.1827  -2.423431      7.770719  
1 1 1 8   55  17 o 26.137  6.7802  390.684    193.575  103.658    410.439  472.792    219.524  23.667  9.7994  28.702  7.1006  -5.035427      12.10152  
1 1 1 8   55  18 o 154.237 3.3963  12951.72   567.364  12175.44   1153.23  13199.61   651.687  148.183 7.1853  155.584 3.8673  -7.400345      8.159942  
1 1 1 8   55  19 o 110.778 2.9913  6678.50    358.907  6750.86    764.952  6658.08    406.418  110.228 6.4352  110.531 3.3948  -0.3029785     7.275787  
1 1 1 8   55  20 o 40.529  4.4826  911.325    193.477  1408.72    459.022  803.866    213.356  49.116  8.9588  37.834  5.3563  11.28166       10.43788  
1 1 1 8   55  21 o 30.513  6.3432  537.252    202.797  500.532    459.658  546.126    225.979  30.606  10.948  30.632  6.9683  -0.2530670E-01 12.97734  
1 1 1 8   55  22 o 26.649  6.7788  415.050    196.123  462.714    457.516  404.320    217.079  29.676  10.879  26.303  7.3405  3.372761       13.12392  
1 1 1 8   55  23 o 150.341 3.5580  12400.23   579.368  12477.79   1142.85  12373.40   672.140  147.962 7.1313  149.836 4.1416  -1.874359      8.246735  
1 1 1 8   55  24 o 89.801  2.9849  4413.94    290.325  3913.07    674.528  4527.83    321.642  81.853  7.6989  90.856  3.2685  -9.002815      8.363971  
1 1 1 8   55  25 o 41.541  2.2573  944.792    101.184  983.708    495.590  943.100    103.361  38.238  11.228  41.493  2.3090  -3.255093      11.46330  
1 1 1 8   55  26 o 25.188  1.4127  346.146    38.385   0.0000     0.0000   346.146    38.385   ?       ?       25.188  1.4127  0.000000       1.412710  
1 1 1 8   55  27 o 53.515  6.9143  1751.74    391.399  0.0000     0.0000   1751.74    391.399  ?       ?       53.515  6.9143  0.000000       6.914319  
1 1 1 8   55  28 o 19.712  8.6777  65.167     359.442  0.0000     0.0000   65.167     359.442  ?       ?       19.712  8.6777  0.000000       8.677675  
1 1 1 8   55  29 o 31.883  10.150  776.895    394.675  0.0000     0.0000   776.895    394.675  ?       ?       31.883  10.150  0.000000       10.15033  
1 1 1 8   55  30 o 24.857  9.8988  429.649    400.108  0.0000     0.0000   429.649    400.108  ?       ?       24.857  9.8988  0.000000       9.898808  
1 1 1 8   56  0  o 72.985  2.8340  2886.36    224.031  2806.32    320.262  2963.05    313.500  71.825  4.1343  73.825  3.9349  -1.999908      5.707513  
1 1 1 8   56  1  o 208.902 4.0316  23660.25   912.193  22507.50   1289.48  24815.00   1290.59  203.622 5.8468  213.829 5.5725  -10.20656      8.077026  
1 1 1 8   56  2  o 68.359  2.5983  2531.86    192.379  2699.55    271.691  2363.25    272.441  70.481  3.5707  65.914  3.8327  4.567390       5.238277  
1 1 1 8   56  3  o 60.905  2.7971  2009.99    184.514  2011.11    261.449  2008.88    260.437  60.773  3.9942  60.741  3.9807  0.3253174E-01  5.639144  
1 1 1 8   56  4  o 85.166  2.8829  3930.52    265.934  3614.22    375.879  4247.52    376.296  81.526  4.2717  88.510  3.9252  -6.984703      5.801249  
1 1 1 8   56  5  o 296.292 5.1522  47642.34   1653.43  49147.08   2339.65  46141.05   2336.97  300.637 7.1852  291.260 7.4080  9.376465       10.32016  
1 1 1 8   56  6  o 132.489 3.0889  9513.69    443.249  9256.40    629.628  9766.48    624.106  130.629 4.4501  134.188 4.2941  -3.558609      6.184127  
1 1 1 8   56  7  o 252.592 4.9116  34625.91   1343.74  34003.21   2052.08  35093.35   1777.93  249.945 7.5802  254.095 6.4602  -4.150131      9.959629  
1 1 1 8   56  8  o 60.981  2.5087  2015.07    165.699  1832.59    214.594  2284.51    260.763  58.038  3.4290  64.799  3.7312  -6.761234      5.067499  
1 1 1 8   56  9  o 53.239  2.9075  1540.92    167.022  1237.40    382.856  1612.26    185.616  47.038  7.7873  54.442  3.1614  -7.404686      8.404555  
1 1 1 8   56  10 o 320.820 5.5444  55944.37   1926.58  60026.61   3867.65  54597.16   2221.86  330.631 10.800  316.722 6.4769  13.90912       12.59347  
1 1 1 8   56  11 o 75.718  2.3792  3107.24    195.118  3068.08    314.764  3131.68    248.656  75.090  3.8835  75.996  3.0209  -0.9064789     4.920084  
1 1 1 8   56  12 o 49.888  2.9851  1354.62    160.555  1358.51    397.002  1353.86    175.552  49.275  7.6899  49.849  3.2696  -0.5741577     8.356103  
1 1 1 8   56  13 o 124.862 3.0714  8459.13    415.370  8072.19    844.935  8582.45    476.987  121.413 6.4484  125.733 3.5026  -4.319809      7.338207  
1 1 1 8   56  14 o 69.270  2.3258  2602.02    174.493  3343.10    456.927  2475.49    188.803  78.101  5.4355  67.555  2.5804  10.54604       6.016873  
1 1 1 8   56  15 o 125.561 3.1364  8563.26    426.542  7926.32    886.683  8755.04    486.536  119.945 6.8537  126.908 3.5396  -6.963150      7.713736  
1 1 1 8   56  16 o 136.933 3.7568  10205.84   557.180  8991.59    984.846  10777.46   675.718  127.496 7.1608  140.575 4.4380  -13.07907      8.424561  
1 1 1 8   56  17 o 185.019 3.7406  18645.84   749.593  17638.14   1518.76  18970.37   861.885  178.199 7.8689  186.460 4.2677  -8.260635      8.951672  
1 1 1 8   56  18 o 114.579 3.0379  7141.49    377.013  7055.16    797.845  7166.31    427.787  112.790 6.5593  114.705 3.4433  -1.915497      7.408155  
1 1 1 8   56  19 o 41.718  4.3165  962.279    192.222  150.615    437.526  1156.42    213.979  24.772  10.173  45.762  4.3703  -20.99022      11.07191  
1 1 1 8   56  20 o 78.831  2.6539  3380.93    226.597  3290.95    567.394  3398.00    247.163  76.480  6.9248  78.997  2.8887  -2.517090      7.503131  
1 1 1 8   56  21 o 96.918  3.2068  5127.55    336.625  4824.92    708.366  5215.83    382.585  92.332  7.1387  97.643  3.6176  -5.310295      8.003012  
1 1 1 8   56  22 o 49.276  4.3074  1346.78    227.579  659.236    594.585  1464.79    246.338  34.139  12.419  51.359  4.4731  -17.21963      13.20020  
1 1 1 8   56  23 o 59.785  3.9997  1976.52    257.500  1412.69    541.779  2141.06    292.669  47.486  10.780  62.109  4.3786  -14.62336      11.63555  
1 1 1 8   56  24 o 40.048  5.4085  915.031    228.596  654.758    493.479  986.141    257.940  32.645  11.373  41.400  5.9210  -8.755424      12.82174  
1 1 1 8   56  25 o 23.267  7.7757  316.804    230.181  155.635    471.435  367.252    263.757  24.012  10.252  24.836  8.3234  -0.8242321     13.20513  
1 1 1 8   56  26 o 18.518  7.6171  116.465    245.807  0.0000     0.0000   116.465    245.807  ?       ?       18.518  7.6171  0.000000       7.617150  
1 1 1 8   56  27 o 44.310  7.3578  1227.59    340.737  0.0000     0.0000   1227.59    340.737  ?       ?       44.310  7.3578  0.000000       7.357837  
1 1 1 8   56  28 o 25.337  9.2068  427.768    326.633  0.0000     0.0000   427.768    326.633  ?       ?       25.337  9.2068  0.000000       9.206768  
1 1 1 8   56  29 o 44.204  7.9816  1303.04    368.078  0.0000     0.0000   1303.04    368.078  ?       ?       44.204  7.9816  0.000000       7.981575  
1 1 1 8   57  0  o 599.855 10.067  196287.91  6540.82  201024.50  9251.25  191553.70  9249.00  604.931 14.120  590.302 14.466  14.62964       20.21464  
1 1 1 8   57  1  o 202.792 4.0495  22297.83   889.451  21995.96   1257.46  22600.08   1258.29  201.292 5.7677  204.043 5.6936  -2.751831      8.104495  
1 1 1 8   57  2  o 91.550  2.8393  4541.68    281.541  4271.08    397.321  4814.58    399.003  88.751  4.1333  94.235  3.9093  -5.484100      5.689163  
1 1 1 8   57  3  o 187.036 3.6704  18964.35   743.540  18601.76   1052.75  19325.26   1050.30  185.139 5.2500  188.714 5.1386  -3.574432      7.346208  
1 1 1 8   57  4  o 335.684 6.1909  61210.48   2250.89  63628.56   3466.10  59447.04   2959.96  341.581 9.3687  330.419 8.2709  11.16147       12.49716  
1 1 1 8   57  5  o 119.699 2.9904  7765.01    387.694  7574.39    549.237  7954.30    547.331  118.174 4.2911  121.106 4.1727  -2.932388      5.985379  
1 1 1 8   57  6  o 63.231  2.1659  2166.11    148.337  2260.42    180.892  1972.50    259.185  64.587  2.5858  60.178  3.9993  4.409836       4.762446  
1 1 1 8   57  7  f 146.381 3.2597  11615.44   516.816  10803.12   734.597  12411.56   727.236  141.088 4.8072  151.251 4.4392  -10.16255      6.543367  
1 1 1 8   57  8  f 60.780  3.3536  2009.02    219.920  2078.94    418.512  1982.34    258.485  61.504  6.3751  60.322  3.9786  1.182068       7.514721  
1 1 1 8   57  9  o 40.857  3.1715  910.472    139.244  1126.30    343.439  868.015    152.326  44.900  7.3139  39.848  3.5671  5.051994       8.137426  
1 1 1 8   57  10 o 63.883  2.8587  2212.41    197.800  2133.17    465.052  2229.91    218.554  62.174  7.0294  64.128  3.1466  -1.953842      7.701568  
1 1 1 8   57  11 f 161.348 3.3433  14122.14   584.263  14464.67   1194.09  14014.33   669.935  162.867 6.7692  160.687 3.8493  2.180679       7.787079  
1 1 1 8   57  12 o 42.274  3.2486  975.378    147.607  768.092    372.613  1013.96    160.759  36.673  9.3518  43.084  3.4746  -6.410656      9.976418  
1 1 1 8   57  13 o 196.819 3.9956  21051.78   851.768  22161.18   1629.79  20634.89   999.068  201.063 7.4839  194.723 4.7370  6.339920       8.857112  
1 1 1 8   57  14 o 144.801 3.3268  11388.56   521.753  10855.00   1030.94  11572.28   604.947  140.716 6.7642  145.894 3.8283  -5.177673      7.772439  
1 1 1 8   57  15 o 108.465 3.0356  6390.15    356.618  5766.14    754.442  6569.69    404.683  102.192 6.8559  109.936 3.3986  -7.744637      7.652043  
1 1 1 8   57  16 o 104.373 4.5183  5945.12    510.778  6035.82    723.572  5855.02    721.132  104.571 6.4196  102.963 6.4998  1.607819       9.135516  
1 1 1 8   57  17 o 112.425 3.0930  6873.17    376.632  6642.69    785.550  6941.97    429.176  109.519 6.6539  112.919 3.5091  -3.400757      7.522541  
1 1 1 8   57  18 o 40.396  1.7784  885.137    77.808   1187.03    430.018  874.919    79.113   45.136  9.1102  40.160  1.8188  4.975548       9.290007  
1 1 1 8   57  19 o 60.864  3.4203  2026.08    224.560  1777.64    493.162  2091.07    252.226  55.592  8.4571  61.767  3.7885  -6.175156      9.266921  
1 1 1 8   57  20 o 84.683  3.1747  3910.40    291.186  3669.34    602.591  3983.83    332.596  80.714  6.9610  85.391  3.5961  -4.676743      7.835000  
1 1 1 8   57  21 o 126.906 3.2520  8796.72    446.993  8302.86    914.198  8951.87    512.422  121.258 6.9904  127.860 3.7002  -6.601692      7.909340  
1 1 1 8   57  22 o 95.394  3.2397  4977.25    334.730  4612.12    701.542  5084.87    380.881  89.806  7.2748  96.292  3.6520  -6.485123      8.140054  
1 1 1 8   57  23 o 144.540 3.4026  11454.38   532.687  10825.14   1090.57  11651.55   610.464  137.288 7.3610  145.515 3.8733  -8.226913      8.317842  
1 1 1 8   57  24 o 109.313 3.3222  6566.84    393.337  5188.21    804.056  7000.54    450.983  93.689  8.0004  112.670 3.6956  -18.98087      8.812679  
1 1 1 8   57  25 o 13.736  6.2698  -104.1811  207.283  291.031    454.232  -208.1273  232.952  25.401  10.391  13.370  6.2862  12.03095       12.14420  
1 1 1 8   57  26 o 19.390  8.1224  113.955    286.697  0.0000     0.0000   113.955    286.697  ?       ?       19.390  8.1224  0.000000       8.122427  
1 1 1 8   57  27 o 26.121  9.0513  447.695    312.382  0.0000     0.0000   447.695    312.382  ?       ?       26.121  9.0513  0.000000       9.051324  
1 1 1 8   57  28 o 20.638  8.5810  186.696    316.608  0.0000     0.0000   186.696    316.608  ?       ?       20.638  8.5810  0.000000       8.581017  
1 1 1 8   57  29 o 26.717  9.4251  515.830    339.564  0.0000     0.0000   515.830    339.564  ?       ?       26.717  9.4251  0.000000       9.425149  
1 1 1 8   58  0  o 285.414 5.2061  44205.82   1609.36  44942.64   2276.99  43470.29   2274.98  287.496 7.3124  282.729 7.4291  4.766815       10.42414  
1 1 1 8   58  1  o 94.675  2.9859  4857.48    306.187  4550.89    426.575  5183.30    439.753  91.605  4.2994  97.768  4.1528  -6.162567      5.977484  
1 1 1 8   58  2  f 124.243 2.9075  8365.03    391.250  8320.92    553.062  8409.22    553.559  123.873 4.1222  124.529 4.1041  -0.6562347     5.816897  
1 1 1 8   58  3  o 67.587  2.7574  2475.37    201.853  2234.46    285.967  2714.59    284.961  64.056  4.1440  70.661  3.7366  -6.604881      5.579875  
1 1 1 8   58  4  o 309.529 5.4624  52013.80   1831.29  51477.69   2590.76  52549.14   2588.92  307.539 7.7778  310.740 7.6922  -3.201080      10.93914  
1 1 1 8   58  5  o 136.419 3.1041  10086.65   458.649  9742.46    658.386  10411.17   639.290  134.008 4.5361  138.545 4.2603  -4.537201      6.223010  
1 1 1 8   58  6  o 107.279 2.8448  6237.16    330.550  6115.31    472.588  6353.86    462.513  106.183 4.1092  108.241 3.9452  -2.057732      5.696470  
1 1 1 8   58  7  o 156.002 3.3306  13194.22   562.756  12956.74   799.625  13427.28   792.141  154.501 4.7784  157.291 4.6497  -2.789948      6.667324  
1 1 1 8   58  8  o 23.226  5.2453  304.680    128.834  84.947     201.924  455.543    167.314  17.637  7.0295  28.460  5.6272  -10.82326      9.004398  
1 1 1 8   58  9  o 145.330 3.2677  11453.03   514.365  9922.23    1047.40  11939.54   590.471  134.742 7.2031  148.359 3.6746  -13.61766      8.086220  
1 1 1 8   58  10 o 145.062 3.3470  11413.96   525.866  9577.66    1198.00  11852.23   585.264  132.068 8.4189  147.799 3.6560  -15.73065      9.178522  
1 1 1 8   58  11 o 19.379  5.1990  211.265    111.384  -99.1377   334.253  250.039    118.136  18.901  8.3419  21.028  5.2130  -2.126829      9.836839  
1 1 1 8   58  12 o 141.661 3.1678  10889.51   486.045  11736.82   1000.30  10627.63   556.105  146.637 6.2982  139.899 3.6700  6.737778       7.289488  
1 1 1 8   58  13 o 137.052 3.1032  10195.58   460.641  11051.84   945.771  9929.28    527.428  142.213 6.1401  135.196 3.6019  7.017410       7.118597  
1 1 1 8   58  14 o 38.744  3.4477  822.112    143.165  682.147    440.275  838.661    151.392  34.821  10.668  39.114  3.6145  -4.292465      11.26344  
1 1 1 8   58  15 o 102.133 3.0101  5666.53    332.976  5855.08    709.739  5613.32    377.046  103.071 6.3891  101.606 3.4261  1.465332       7.249734  
1 1 1 8   58  16 o 147.824 4.8303  11943.06   773.373  10504.63   1094.26  13378.64   1093.17  137.620 7.3679  155.889 6.4745  -18.26868      9.808393  
1 1 1 8   58  17 o 94.533  2.8249  4857.17    289.241  3978.46    660.374  5065.76    321.745  84.403  7.2955  96.509  3.0780  -12.10614      7.918222  
1 1 1 8   58  18 f 56.366  3.4949  1738.36    212.313  1693.13    478.478  1749.44    236.913  54.337  8.4012  56.477  3.8968  -2.140152      9.260942  
1 1 1 8   58  19 o 37.973  2.3397  786.438    95.761   1687.06    440.724  741.812    98.104   54.364  7.7001  36.860  2.4716  17.50417       8.087090  
1 1 1 8   58  20 o 29.020  6.3520  486.446    194.113  316.308    417.272  533.434    219.286  26.809  10.270  30.313  6.8414  -3.504343      12.34045  
1 1 1 8   58  21 o 71.502  3.4107  2795.74    264.138  2182.66    543.622  2985.21    302.210  61.225  8.4207  73.706  3.7985  -12.48099      9.237792  
1 1 1 8   58  22 f 60.593  2.5861  2001.37    169.721  2038.92    547.459  1997.38    178.517  58.615  8.9032  60.511  2.7238  -1.895580      9.310572  
1 1 1 8   58  23 o 34.017  1.3681  627.961    50.406   948.194    472.662  624.277    50.695   38.683  10.844  33.916  1.3800  4.767120       10.93189  
1 1 1 8   58  24 o 30.204  1.9714  498.894    64.140   80.790     483.404  506.387    64.712   23.659  10.244  30.431  1.9740  -6.771301      10.43228  
1 1 1 8   58  25 o 46.690  2.4094  1197.18    121.428  1128.97    515.446  1201.19    124.944  39.978  11.366  46.751  2.4763  -6.772697      11.63259  
1 1 1 8   58  26 o 19.279  7.9001  137.888    263.148  0.0000     0.0000   137.888    263.148  ?       ?       19.279  7.9001  0.000000       7.900069  
1 1 1 8   58  27 o 30.712  9.5241  657.228    349.725  0.0000     0.0000   657.228    349.725  ?       ?       30.712  9.5241  0.000000       9.524117  
1 1 1 8   58  28 o 19.190  8.2745  101.845    312.819  0.0000     0.0000   101.845    312.819  ?       ?       19.190  8.2745  0.000000       8.274532  
1 1 1 8   58  29 o 21.511  8.6023  261.818    303.402  0.0000     0.0000   261.818    303.402  ?       ?       21.511  8.6023  0.000000       8.602276  
1 1 1 8   59  0  o 408.582 6.8795  90748.84   3044.42  94274.77   4306.73  87227.06   4304.19  415.713 9.5650  399.756 9.9409  15.95697       13.79529  
1 1 1 8   59  1  o 172.783 3.4113  16182.59   638.402  16440.19   902.414  15924.50   903.260  174.073 4.7863  171.316 4.8679  2.757309       6.826842  
1 1 1 8   59  2  o 260.420 4.8478  36798.01   1367.38  34855.91   1933.99  38739.19   1933.53  253.184 7.0526  266.970 6.6868  -13.78587      9.718659  
1 1 1 8   59  3  o 62.454  2.8737  2113.80    194.392  1687.70    278.062  2521.14    271.867  55.580  4.6622  68.091  3.7002  -12.51136      5.952094  
1 1 1 8   59  4  f 217.579 4.2569  25677.57   1003.20  25527.46   1516.84  25794.27   1337.49  216.721 6.4620  217.942 5.6660  -1.220184      8.594291  
1 1 1 8   59  5  o 231.220 4.2485  29000.61   1063.99  29513.84   1505.76  28488.81   1503.65  233.071 5.9648  228.975 6.0630  4.095444       8.505234  
1 1 1 8   59  6  o 261.763 4.7107  37188.41   1335.56  37797.90   1890.83  36581.57   1886.72  263.619 6.6223  259.326 6.7172  4.292450       9.432696  
1 1 1 8   59  7  o 163.431 3.5454  14484.06   627.585  13981.61   932.174  14900.61   848.758  160.433 5.3645  165.678 4.7299  -5.244949      7.151906  
1 1 1 8   59  8  o 70.827  2.4874  2718.68    190.813  2403.99    246.699  3187.30    301.045  66.491  3.4373  76.658  3.6258  -10.16605      4.996163  
1 1 1 8   59  9  o 66.658  3.1826  2409.52    229.773  2782.17    435.636  2265.89    270.452  71.297  5.6887  64.502  3.8894  6.794861       6.891165  
1 1 1 8   59  10 o 98.148  2.8126  5223.18    298.994  5663.64    645.984  5103.09    337.299  101.825 5.8823  96.995  3.2107  4.830132       6.701499  
1 1 1 8   59  11 o 141.924 3.2043  10928.82   492.554  9667.39    1011.12  11321.29   563.998  132.820 7.0539  144.414 3.6058  -11.59383      7.922042  
1 1 1 8   59  12 o 66.948  2.7196  2431.12    197.202  2453.57    456.089  2425.96    218.701  66.717  6.3898  66.864  3.0199  -0.1465149     7.067440  
1 1 1 8   59  13 o 118.514 2.8712  7622.81    368.553  8518.06    768.750  7355.64    419.961  124.888 5.6832  116.375 3.3318  8.512840       6.587870  
1 1 1 8   59  14 o 34.713  3.9763  664.236    146.804  539.611    429.472  680.724    156.214  31.778  10.621  35.113  4.1904  -3.334339      11.41784  
1 1 1 8   59  15 o 66.756  3.7517  2433.24    270.163  2029.65    525.184  2578.47    315.043  59.947  8.3123  68.647  4.2582  -8.699886      9.339527  
1 1 1 8   59  16 o 70.551  3.7284  2718.37    283.893  3133.57    531.821  2552.90    335.728  75.124  6.6031  68.218  4.5702  6.906265       8.030474  
1 1 1 8   59  17 f 105.596 2.9045  6063.08    332.190  6310.62    729.066  5998.22    373.178  106.748 6.3341  104.971 3.2823  1.776413       7.134017  
1 1 1 8   59  18 o 109.896 3.0420  6573.68    362.088  5279.15    757.470  6957.10    412.238  97.090  7.2556  112.991 3.3685  -15.90107      7.999391  
1 1 1 8   59  19 o 36.232  1.5649  712.054    61.412   335.331    420.219  720.275    62.078   27.298  10.343  36.441  1.5728  -9.142488      10.46148  
1 1 1 8   59  20 o 19.212  6.6074  190.490    166.314  -229.2160  400.419  277.990    182.830  18.958  8.6765  22.244  6.8843  -3.286037      11.07594  
1 1 1 8   59  21 o 85.388  3.1873  3983.32    294.774  3128.26    615.291  4238.04    335.821  73.722  7.8254  87.990  3.5237  -14.26843      8.582178  
1 1 1 8   59  22 o 80.879  3.3387  3582.11    292.471  3376.55    611.198  3643.16    333.081  76.551  7.4667  81.440  3.7761  -4.889534      8.367215  
1 1 1 8   59  23 f 68.071  3.6637  2556.39    269.124  2431.27    579.851  2590.74    303.830  63.835  8.6059  68.362  4.1227  -4.526775      9.542446  
1 1 1 8   59  24 o 46.172  4.5897  1203.10    226.482  1262.02    509.965  1188.63    252.779  43.665  10.834  45.631  5.2079  -1.965549      12.02113  
1 1 1 8   59  25 o 50.019  5.2628  1445.91    280.835  0.0000     0.0000   1445.91    280.835  ?       ?       50.019  5.2628  0.000000       5.262756  
1 1 1 8   59  26 o 28.757  8.0109  533.591    258.780  0.0000     0.0000   533.591    258.780  ?       ?       28.757  8.0109  0.000000       8.010860  
1 1 1 8   59  27 o 21.950  8.6000  262.286    297.503  0.0000     0.0000   262.286    297.503  ?       ?       21.950  8.6000  0.000000       8.599955  
1 1 1 8   59  28 f 21.235  8.6441  230.461    312.431  0.0000     0.0000   230.461    312.431  ?       ?       21.235  8.6441  0.000000       8.644079  
1 1 1 8   59  29 o 17.099  7.6534  -1.9848    291.543  0.0000     0.0000   -1.9848    291.543  ?       ?       17.099  7.6534  0.000000       7.653430  
1 1 1 8   60  0  o 84.447  2.5070  3863.96    229.306  3946.06    298.866  3746.46    357.540  85.325  3.2339  83.120  3.9714  2.204132       5.121582  
1 1 1 8   60  1  o 212.576 4.3738  24510.99   1007.03  23611.32   1523.26  25209.47   1342.17  208.409 6.7482  215.459 5.7514  -7.049179      8.866578  
1 1 1 8   60  2  o 190.057 3.9068  19587.24   804.212  18811.01   1202.55  20215.27   1081.68  186.093 5.9663  192.986 5.1749  -6.893112      7.897868  
1 1 1 8   60  3  o 155.990 3.3246  13190.27   561.706  12907.82   795.242  13471.50   793.507  154.232 4.7605  157.571 4.6495  -3.338898      6.654330  
1 1 1 8   60  4  o 255.733 4.5607  35485.53   1263.25  35438.66   1787.61  35532.29   1785.39  255.316 6.4643  255.656 6.4477  -0.3395691     9.130229  
1 1 1 8   60  5  o 215.176 3.9453  25112.64   919.479  25703.91   1301.80  24524.02   1298.88  217.534 5.5252  212.469 5.6442  5.065262       7.898437  
1 1 1 8   60  6  o 45.221  3.1826  1114.08    154.884  1326.77    231.814  942.561    208.167  49.253  4.3916  41.403  4.7268  7.849300       6.451984  
1 1 1 8   60  7  f 146.057 3.2143  11566.39   508.488  11960.05   724.089  11183.38   714.235  148.436 4.5038  143.529 4.5944  4.907303       6.433753  
1 1 1 8   60  8  o 116.072 2.9603  7304.44    372.164  7284.68    535.010  7322.97    518.039  115.845 4.2640  116.158 4.1176  -0.3132019     5.927546  
1 1 1 8   60  9  o 192.585 4.6620  20149.40   972.435  17374.32   2051.68  20953.44   1104.36  177.319 10.733  196.314 5.1938  -18.99524      11.92395  
1 1 1 8   60  10 o 156.244 3.2334  13244.11   547.182  15097.57   1120.07  12663.11   627.107  166.418 6.2140  152.727 3.7910  13.69095       7.279157  
1 1 1 8   60  11 o 176.475 3.4860  16906.79   666.311  19254.49   1356.58  16160.33   764.940  187.724 6.6720  172.456 4.0952  15.26846       7.828568  
1 1 1 8   60  12 o 21.081  4.8989  251.735    109.729  -244.2430  326.825  314.746    116.490  16.866  7.7629  23.632  4.7163  -6.766392      9.083318  
1 1 1 8   60  13 o 122.308 2.9639  8121.43    392.636  8794.72    849.646  7938.60    442.746  126.747 6.1891  120.878 3.3817  5.869179       7.052761  
1 1 1 8   60  14 f 36.054  3.8640  715.419    148.538  517.415    435.688  741.460    158.004  31.377  10.697  36.684  4.0439  -5.306673      11.43554  
1 1 1 8   60  15 o 51.387  4.1929  1448.97    231.333  1806.59    466.682  1332.48    266.361  56.607  7.8206  49.108  5.0813  7.499172       9.326372  
1 1 1 8   60  16 o 45.189  1.9456  1107.70    95.227   1532.71    442.762  1087.09    97.509   51.888  8.1467  44.764  2.0111  7.123669       8.391230  
1 1 1 8   60  17 o 85.214  3.0126  3950.52    278.046  4584.97    602.453  3778.81    313.422  90.948  6.1521  83.278  3.4748  7.669525       7.065575  
1 1 1 8   60  18 o 64.914  3.4417  2303.77    241.114  2426.09    513.347  2269.14    273.114  65.552  7.3573  64.328  3.9389  1.224060       8.345303  
1 1 1 8   60  19 o 64.949  3.4893  2309.53    244.563  2136.22    513.603  2360.34    278.117  61.085  7.9514  65.567  3.9345  -4.481659      8.871543  
1 1 1 8   60  20 o 31.411  1.2751  534.996    43.381   528.784    415.528  535.065    43.620   30.655  10.446  31.413  1.2821  -0.7579079     10.52465  
1 1 1 8   60  21 o 55.813  3.6502  1714.40    219.440  943.531    492.383  1905.45    245.130  38.972  11.119  58.796  3.8709  -19.82418      11.77337  
1 1 1 8   60  22 o 75.925  3.2595  3155.69    268.048  2428.77    569.254  3362.78    303.840  64.288  8.3741  78.289  3.5832  -14.00101      9.108475  
1 1 1 8   60  23 f 52.970  4.2658  1563.46    242.664  1998.18    536.373  1451.59    272.104  57.479  8.9035  50.755  5.0154  6.724548       10.21894  
1 1 1 8   60  24 o 34.253  5.6117  683.627    200.981  668.344    488.840  686.736    220.478  32.034  11.308  34.082  6.2011  -2.048347      12.89652  
1 1 1 8   60  25 o 56.584  5.4103  1856.25    327.539  0.0000     0.0000   1856.25    327.539  ?       ?       56.584  5.4103  0.000000       5.410349  
1 1 1 8   60  26 o 51.592  5.4712  1559.40    301.061  0.0000     0.0000   1559.40    301.061  ?       ?       51.592  5.4712  0.000000       5.471178  
1 1 1 8   60  27 o 25.301  9.0659  419.911    315.349  0.0000     0.0000   419.911    315.349  ?       ?       25.301  9.0659  0.000000       9.065935  
1 1 1 8   60  28 o 15.925  7.3216  -98.6411   289.625  0.0000     0.0000   -98.6411   289.625  ?       ?       15.925  7.3216  0.000000       7.321633  
1 1 1 8   61  0  f 114.958 2.9999  7162.38    373.526  7161.09    528.516  7163.66    527.975  114.902 4.2468  114.923 4.2417  -0.2083588E-01 6.002243  
1 1 1 8   61  1  o 171.578 3.3633  15958.82   625.027  15937.79   883.140  15979.93   884.705  171.379 4.7577  171.605 4.7599  -0.2262421     6.729987  
1 1 1 8   61  2  o 203.189 3.9579  22390.46   871.033  21541.92   1232.76  23236.44   1230.89  199.147 5.7152  206.855 5.4939  -7.707764      7.927638  
1 1 1 8   61  3  o 387.347 6.5955  81589.08   2767.04  78964.24   3913.74  84212.43   3912.63  380.224 9.5035  392.762 9.1975  -12.53799      13.22536  
1 1 1 8   61  4  o 276.354 4.8993  41457.92   1466.45  42329.27   2075.07  40588.57   2072.69  278.923 6.8688  273.102 7.0071  5.821198       9.812220  
1 1 1 8   61  5  o 245.519 4.3891  32710.68   1167.15  33546.20   1651.97  31877.93   1649.23  248.394 6.1403  242.115 6.2891  6.278625       8.789552  
1 1 1 8   61  6  o 24.942  4.9224  349.620    128.255  204.894    196.466  457.101    169.309  20.571  7.1753  28.501  5.6840  -7.929596      9.153873  
1 1 1 8   61  7  o 95.035  2.7773  4895.83    285.876  5150.00    412.772  4661.53    396.310  97.424  3.9118  92.687  3.9477  4.736977       5.557550  
1 1 1 8   61  8  o 76.829  2.8431  3200.27    236.586  2886.72    346.646  3473.67    323.699  72.777  4.4186  80.011  3.7353  -7.233612      5.785838  
1 1 1 8   61  9  o 71.244  2.6477  2751.90    204.306  2961.35    461.318  2700.80    227.871  73.516  5.8418  70.569  2.9813  2.947342       6.558526  
1 1 1 8   61  10 o 36.796  3.4308  741.218    135.156  520.286    328.403  786.269    148.297  30.593  9.1793  37.881  3.6601  -7.287779      9.882131  
1 1 1 8   61  11 o 164.394 3.4359  14673.60   611.788  14547.34   1246.94  14713.62   702.101  163.005 7.0628  164.551 3.9394  -1.545334      8.087127  
1 1 1 8   61  12 o 148.577 3.1934  11986.52   513.889  12767.08   1055.36  11743.92   588.351  152.735 6.3796  147.000 3.6953  5.735260       7.372530  
1 1 1 8   61  13 o 121.901 2.9668  8069.12    391.717  8594.28    842.642  7924.34    442.428  125.237 6.2121  120.754 3.3828  4.482712       7.073461  
1 1 1 8   61  14 o 96.404  2.8264  5047.18    295.122  5468.44    659.607  4941.74    329.994  99.646  6.1415  95.354  3.1952  4.291977       6.922949  
1 1 1 8   61  15 o 119.455 3.6124  7767.59    467.381  7069.17    838.756  8082.12    562.868  112.999 6.8860  121.726 4.2693  -8.726479      8.102069  
1 1 1 8   61  16 o 61.756  2.6374  2071.93    176.413  2159.05    499.674  2059.52    188.556  61.899  7.6135  61.556  2.8281  0.3432236      8.121799  
1 1 1 8   61  17 o 96.776  3.1027  5097.59    325.226  4126.91    673.544  5392.72    371.390  85.814  7.3165  99.480  3.4469  -13.66577      8.087802  
1 1 1 8   61  18 o 95.237  2.8385  4935.48    292.800  4675.30    663.769  4998.34    326.258  91.455  6.7487  95.790  3.1446  -4.334496      7.445342  
1 1 1 8   61  19 o 92.538  3.1592  4669.70    316.647  3852.80    651.372  4922.48    362.341  82.513  7.3659  94.930  3.5241  -12.41704      8.165523  
1 1 1 8   61  20 o 131.305 3.2843  9418.48    467.081  7909.05    951.260  9898.01    536.164  118.000 7.4817  134.457 3.6817  -16.45731      8.338483  
1 1 1 8   61  21 o 59.321  2.3894  1915.97    153.522  1533.79    495.579  1956.54    161.465  50.522  9.4026  59.933  2.4874  -9.411022      9.726094  
1 1 1 8   61  22 o 54.321  3.8998  1631.84    227.921  1726.26    487.043  1605.37    257.904  53.838  8.6449  53.701  4.4748  0.1367798      9.734368  
1 1 1 8   61  23 o 60.342  3.7610  2016.77    244.581  1734.73    531.770  2092.44    275.444  52.824  9.6500  61.312  4.1726  -8.487675      10.51346  
1 1 1 8   61  24 o 27.061  6.9149  446.833    203.430  289.191    481.981  481.003    224.396  25.745  10.636  27.946  7.3246  -2.200672      12.91437  
1 1 1 8   61  25 o 32.227  7.4503  650.338    254.855  0.0000     0.0000   650.338    254.855  ?       ?       32.227  7.4503  0.000000       7.450311  
1 1 1 8   61  26 o 19.860  7.9936  172.744    263.840  0.0000     0.0000   172.744    263.840  ?       ?       19.860  7.9936  0.000000       7.993593  
1 1 1 8   61  27 o 21.130  8.3315  236.549    280.843  0.0000     0.0000   236.549    280.843  ?       ?       21.130  8.3315  0.000000       8.331528  
1 1 1 8   61  28 o 19.952  7.9916  201.905    262.309  0.0000     0.0000   201.905    262.309  ?       ?       19.952  7.9916  0.000000       7.991559  
1 1 1 8   62  0  o 510.926 8.6108  142360.91  4765.07  145517.20  6740.17  139207.00  6737.49  514.821 12.088  503.380 12.358  11.44089       17.28645  
1 1 1 8   62  1  o 291.387 5.2383  46102.23   1653.22  45543.00   2338.28  46661.22   2337.75  289.223 7.4644  292.771 7.3722  -3.548248      10.49127  
1 1 1 8   62  2  o 120.241 2.9117  7836.15    379.198  8069.79    538.674  7606.64    533.890  121.971 4.0775  118.415 4.1627  3.555946       5.827039  
1 1 1 8   62  3  o 109.289 2.9143  6473.96    344.972  6184.60    486.669  6766.18    489.067  106.769 4.2084  111.684 4.0430  -4.915123      5.835815  
1 1 1 8   62  4  o 132.760 3.0701  9554.62    441.454  9559.66    625.764  9549.63    622.867  132.728 4.3529  132.659 4.3350  0.6857300E-01  6.143272  
1 1 1 8   62  5  o 101.074 2.7804  5537.38    304.381  5376.80    432.277  5695.28    428.665  99.550  4.0091  102.463 3.8626  -2.912605      5.567119  
1 1 1 8   62  6  o 349.099 6.4110  66336.58   2424.05  64444.55   3736.87  67711.13   3185.11  342.809 10.064  352.072 8.3526  -9.263763      13.07889  
1 1 1 8   62  7  o 277.997 5.3192  42015.17   1601.59  42855.25   2455.00  41392.71   2113.23  280.049 8.0937  275.517 7.0815  4.531494       10.75435  
1 1 1 8   62  8  o 86.115  2.7744  4020.82    258.774  4095.60    374.392  3952.43    358.078  86.856  3.9797  85.330  3.8744  1.526131       5.554205  
1 1 1 8   62  9  o 190.066 4.2840  19627.99   881.919  20746.35   1540.71  19082.98   1075.55  194.799 7.3024  187.246 5.3033  7.553299       9.024968  
1 1 1 8   62  10 o 282.915 5.0053  43569.52   1533.75  44984.27   3079.74  43102.90   1768.69  285.313 9.9660  281.146 5.8083  4.166382       11.53509  
1 1 1 8   62  11 f 162.535 3.3382  14345.11   587.665  15748.52   1202.23  13904.52   673.627  169.652 6.5427  159.943 3.8885  9.709656       7.611049  
1 1 1 8   62  12 o 61.972  2.8482  2084.66    191.176  2079.28    505.750  2085.56    206.497  60.959  7.8418  61.974  3.0763  -1.014400      8.423600  
1 1 1 8   62  13 o 89.221  2.8360  4322.25    274.056  4299.38    621.009  4327.78    305.404  88.256  6.5432  89.250  3.1593  -0.9943085     7.265988  
1 1 1 8   62  14 o 110.658 2.9299  6652.41    351.163  7113.66    760.703  6527.50    395.867  113.643 6.2036  109.562 3.3359  4.080719       7.043695  
1 1 1 8   62  15 o 124.684 3.6386  8465.55    491.371  8963.23    884.638  8243.49    590.909  127.400 6.4318  122.872 4.4401  4.527802       7.815539  
1 1 1 8   62  16 o 67.793  4.0116  2516.93    293.250  2060.00    526.996  2721.88    352.940  60.168  8.3084  70.376  4.6566  -10.20815      9.524324  
1 1 1 8   62  17 o 53.596  3.7979  1575.52    219.041  2037.37    477.794  1452.62    246.466  59.997  7.5177  51.323  4.4787  8.673950       8.750637  
1 1 1 8   62  18 f 62.655  3.5299  2149.25    238.573  1873.92    507.577  2227.32    270.290  57.016  8.4772  63.704  3.9367  -6.687393      9.346703  
1 1 1 8   62  19 o 83.304  3.2153  3786.68    290.110  3919.79    602.966  3746.58    330.932  83.459  6.7275  82.763  3.6917  0.6956329      7.673889  
1 1 1 8   62  20 o 23.820  7.0815  325.749    196.116  209.102    419.119  358.449    221.909  24.919  10.059  24.973  7.5575  -0.5354500E-01 12.58178  
1 1 1 8   62  21 o 51.306  4.1507  1458.12    228.679  874.952    474.394  1634.65    261.006  37.518  10.977  54.244  4.4826  -16.72615      11.85673  
1 1 1 8   62  22 o 21.326  1.9358  249.359    44.226   87.684     423.814  251.139    44.469   22.918  9.7507  21.402  1.9394  1.515755       9.941748  
1 1 1 8   62  23 o 29.202  0.9860  462.489    31.185   204.053    412.072  463.978    31.275   23.943  9.8572  29.249  0.9872  -5.306128      9.906547  
1 1 1 8   62  24 o 36.993  2.4983  753.504    99.514   0.0000     0.0000   753.504    99.514   ?       ?       36.993  2.4983  0.000000       2.498270  
1 1 1 8   62  25 o 57.011  5.3412  1884.36    325.969  0.0000     0.0000   1884.36    325.969  ?       ?       57.011  5.3412  0.000000       5.341229  
1 1 1 8   62  26 o 37.223  7.0019  862.046    271.929  0.0000     0.0000   862.046    271.929  ?       ?       37.223  7.0019  0.000000       7.001942  
1 1 1 8   62  27 o 23.875  8.6264  365.353    286.164  0.0000     0.0000   365.353    286.164  ?       ?       23.875  8.6264  0.000000       8.626414  
1 1 1 8   62  28 o 26.869  9.2717  509.809    327.615  0.0000     0.0000   509.809    327.615  ?       ?       26.869  9.2717  0.000000       9.271711  
1 1 1 8   63  0  o 113.642 2.8454  6999.60    350.225  7051.57    489.519  6945.10    501.276  114.019 3.9639  113.149 4.0903  0.8699188      5.695870  
1 1 1 8   63  1  o 243.709 4.7322  32238.91   1249.11  30450.82   1900.66  33598.36   1657.26  236.458 7.4213  248.597 6.1550  -12.13867      9.641557  
1 1 1 8   63  2  o 235.414 4.3452  30072.51   1107.94  29445.57   1567.51  30698.41   1566.22  232.704 6.2192  237.624 6.0855  -4.919510      8.701229  
1 1 1 8   63  3  o 140.349 3.1871  10679.38   484.473  10070.55   686.410  11283.74   683.892  136.204 4.6529  144.194 4.3789  -7.990585      6.389421  
1 1 1 8   63  4  o 127.955 3.0163  8875.94    418.019  8812.72    592.376  8938.66    589.968  127.429 4.2920  128.339 4.2442  -0.9103622     6.036108  
1 1 1 8   63  5  o 129.359 3.0051  9072.48    421.043  8836.68    596.887  9306.02    594.013  127.590 4.3192  130.944 4.1883  -3.353569      6.016459  
1 1 1 8   63  6  o 132.038 3.1432  9454.22    449.509  9419.44    635.448  9489.06    635.954  131.706 4.4546  132.193 4.4417  -0.4868774     6.290615  
1 1 1 8   63  7  o 125.277 3.0519  8511.35    414.105  8121.16    590.950  8887.80    580.456  122.273 4.4622  127.937 4.1889  -5.664162      6.120350  
1 1 1 8   63  8  o 15.444  5.4986  111.090    115.826  220.154    201.146  56.987     141.671  21.076  7.2654  14.697  5.8780  6.378276       9.345402  
1 1 1 8   63  9  f 73.579  3.2190  2937.81    256.535  2780.30    475.816  3002.36    304.596  71.115  6.2405  74.257  3.7999  -3.142075      7.306424  
1 1 1 8   63  10 o 59.107  2.7516  1895.22    176.151  1826.42    398.630  1911.92    196.363  57.438  6.5234  59.275  3.0691  -1.837132      7.209302  
1 1 1 8   63  11 o 49.593  3.0676  1340.28    163.962  912.216    394.503  1429.67    180.270  39.816  9.3137  51.205  3.2675  -11.38869      9.870192  
1 1 1 8   63  12 o 16.851  5.4751  149.973    114.403  -410.6970  408.378  197.720    119.175  17.803  8.3553  18.846  5.4982  -1.043238      10.00206  
1 1 1 8   63  13 o 41.210  3.4669  929.997    153.306  993.137    440.396  921.291    163.535  41.326  9.9568  40.981  3.7250  0.3448982      10.63075  
1 1 1 8   63  14 o 72.746  2.8595  2874.90    225.301  3987.62    539.006  2639.33    248.006  85.049  5.8875  69.667  3.2867  15.38247       6.742819  
1 1 1 8   63  15 o 97.092  3.2396  5128.75    340.680  5686.08    682.756  4943.98    393.116  101.417 6.2460  95.243  3.8108  6.173950       7.316766  
1 1 1 8   63  16 o 50.698  4.7067  1419.12    255.500  1325.30    470.460  1458.37    304.283  47.663  9.4471  51.206  5.5766  -3.542755      10.97026  
1 1 1 8   63  17 f 47.365  5.1053  1246.51    257.772  889.719    466.089  1403.73    309.397  38.660  10.744  50.119  5.8071  -11.45903      12.21326  
1 1 1 8   63  18 o 100.659 3.1145  5522.15    339.554  4392.25    707.039  5860.87    387.119  88.169  7.4742  103.625 3.4491  -15.45596      8.231636  
1 1 1 8   63  19 o 72.765  2.6351  2882.56    207.680  2398.44    553.331  2961.94    224.060  64.531  8.0949  73.734  2.8056  -9.203285      8.567299  
1 1 1 8   63  20 o 36.544  5.4235  756.683    208.157  283.844    441.944  891.485    235.971  26.455  10.445  39.655  5.6542  -13.20022      11.87715  
1 1 1 8   63  21 o 42.017  4.6589  987.528    208.450  1050.80    454.035  970.631    234.639  41.234  10.218  41.444  5.3523  -0.2097549     11.53515  
1 1 1 8   63  22 o 60.297  3.8279  2011.15    248.697  1884.91    513.020  2049.93    284.341  56.002  8.7437  60.693  4.3544  -4.691200      9.767928  
1 1 1 8   63  23 o 19.611  7.2433  191.857    203.397  92.215     417.629  222.841    232.883  22.346  9.5973  20.938  7.7472  1.407398       12.33396  
1 1 1 8   63  24 o 47.181  5.1009  1281.52    256.520  0.0000     0.0000   1281.52    256.520  ?       ?       47.181  5.1009  0.000000       5.100944  
1 1 1 8   63  25 o 74.596  4.7790  3180.98    384.093  0.0000     0.0000   3180.98    384.093  ?       ?       74.596  4.7790  0.000000       4.779013  
1 1 1 8   63  26 o 21.210  7.9633  252.769    247.834  0.0000     0.0000   252.769    247.834  ?       ?       21.210  7.9633  0.000000       7.963346  
1 1 1 8   63  27 o 22.996  8.5438  328.487    283.822  0.0000     0.0000   328.487    283.822  ?       ?       22.996  8.5438  0.000000       8.543844  
1 1 1 8   63  28 o 21.411  8.4679  256.297    290.934  0.0000     0.0000   256.297    290.934  ?       ?       21.411  8.4679  0.000000       8.467944  
1 1 1 8   64  0  o 224.730 4.1809  27402.93   1017.65  26937.76   1440.09  27866.93   1438.27  222.592 5.9732  226.414 5.8650  -3.822327      8.371236  
1 1 1 8   64  1  o 334.168 5.9458  60713.60   2152.02  59099.11   3044.00  62326.87   3042.84  329.005 8.5422  337.942 8.3132  -8.937500      11.91967  
1 1 1 8   64  2  o 101.283 2.8259  5560.52    310.006  5115.72    439.297  6001.76    437.538  97.095  4.1773  105.184 3.8406  -8.089149      5.674469  
1 1 1 8   64  3  o 213.860 4.1628  24820.36   964.248  23548.61   1364.37  26089.42   1362.93  208.067 6.0543  219.052 5.7445  -10.98553      8.345886  
1 1 1 8   64  4  o 153.522 3.2145  12780.76   534.500  13051.80   757.647  12512.20   754.159  155.042 4.5118  151.796 4.5870  3.245422       6.434045  
1 1 1 8   64  5  o 123.307 3.0343  8244.58    405.247  7971.13    575.789  8513.00    570.459  121.161 4.3876  125.225 4.2059  -4.063988      6.077932  
1 1 1 8   64  6  o 252.202 4.4830  34551.37   1224.58  35246.19   1733.89  33859.86   1729.75  254.349 6.2939  249.270 6.4068  5.079346       8.981142  
1 1 1 8   64  7  o 89.342  2.7392  4328.15    265.064  4381.75    381.602  4278.17    368.457  89.833  3.9220  88.770  3.8322  1.062965       5.483382  
1 1 1 8   64  8  o 159.131 3.3687  13743.00   580.617  13784.61   826.603  13702.48   815.737  159.197 4.7939  158.729 4.7449  0.4679260      6.745050  
1 1 1 8   64  9  o 161.121 3.8998  14104.96   680.549  13931.14   1192.59  14188.89   828.730  159.567 6.9004  161.473 4.7385  -1.905731      8.370763  
1 1 1 8   64  10 o 80.386  2.7036  3505.83    235.394  3596.20    504.016  3480.63    266.211  80.951  5.7866  80.076  3.0694  0.8758240      6.550260  
1 1 1 8   64  11 o 105.165 2.8939  6003.81    329.630  6006.06    737.421  6003.24    368.495  104.472 6.5501  105.129 3.2362  -0.6564102     7.305936  
1 1 1 8   64  12 o 174.483 3.5827  16555.70   677.078  16436.78   1611.23  16581.20   746.156  171.928 8.6806  174.540 3.9470  -2.612518      9.535798  
1 1 1 8   64  13 o 129.227 2.9795  9072.81    417.028  9370.36    883.536  8987.52    473.036  130.620 6.2452  128.556 3.3973  2.063599       7.109412  
1 1 1 8   64  14 o 172.326 3.5493  16164.64   662.469  15045.58   1352.63  16517.77   759.838  164.763 7.5796  174.070 4.0302  -9.306442      8.584494  
1 1 1 8   64  15 o 173.441 5.6541  16535.28   1062.15  16938.68   1375.09  15938.59   1672.38  174.704 7.2671  168.009 9.2257  6.695190       11.74411  
1 1 1 8   64  16 o 139.103 3.7813  10557.09   569.699  11025.39   1012.47  10340.13   689.147  141.077 6.6261  137.412 4.6304  3.664307       8.083638  
1 1 1 8   64  17 o 128.918 3.1688  9054.66    442.466  10065.81   911.527  8742.97    506.089  134.770 6.2446  126.545 3.6924  8.224976       7.254625  
1 1 1 8   64  18 o 83.394  3.2049  3792.96    289.482  3619.95    605.998  3844.11    329.509  80.114  7.0559  83.871  3.6273  -3.757454      7.933634  
1 1 1 8   64  19 o 30.431  2.5483  507.545    83.218   1460.66    447.119  473.344    84.698   49.915  8.5795  29.359  2.6936  20.55655       8.992373  
1 1 1 8   64  20 o 51.640  3.9579  1472.90    219.684  709.655    479.900  1675.23    247.094  34.353  11.216  55.033  4.1766  -20.68025      11.96854  
1 1 1 8   64  21 o 88.145  3.2251  4252.85    307.902  3755.83    640.357  4402.31    351.160  80.742  7.4048  89.557  3.6202  -8.814880      8.242435  
1 1 1 8   64  22 o 62.666  3.5412  2167.74    239.370  1980.64    522.033  2217.55    269.356  57.290  8.6854  63.239  3.9524  -5.948978      9.542365  
1 1 1 8   64  23 o 24.195  6.8540  353.311    187.790  -76.8943   430.352  454.494    208.709  20.477  9.2211  27.317  7.0169  -6.840258      11.58733  
1 1 1 8   64  24 o 44.178  6.8489  1177.59    317.109  0.0000     0.0000   1177.59    317.109  ?       ?       44.178  6.8489  0.000000       6.848918  
1 1 1 8   64  25 o 24.800  8.4646  385.281    272.832  0.0000     0.0000   385.281    272.832  ?       ?       24.800  8.4646  0.000000       8.464567  
1 1 1 8   64  26 o 16.219  7.4112  -95.7431   290.631  0.0000     0.0000   -95.7431   290.631  ?       ?       16.219  7.4112  0.000000       7.411189  
1 1 1 8   64  27 o 16.225  7.3159  -42.5730   271.936  0.0000     0.0000   -42.5730   271.936  ?       ?       16.225  7.3159  0.000000       7.315867  
1 1 1 8   65  0  o 143.469 3.1361  11160.31   487.326  11228.71   688.876  11091.78   689.491  143.824 4.4222  142.942 4.4535  0.8820038      6.276104  
1 1 1 8   65  1  o 231.932 4.2392  29196.02   1064.93  29585.95   1506.57  28806.65   1505.50  233.223 5.9641  230.118 6.0403  3.105042       8.488579  
1 1 1 8   65  2  o 101.804 2.9035  5618.74    320.159  5439.79    453.991  5795.79    451.566  100.112 4.1869  103.344 4.0343  -3.232124      5.814223  
1 1 1 8   65  3  o 279.812 5.0414  42544.16   1527.89  41292.75   2161.25  43794.41   2160.26  275.171 7.2516  283.441 7.0368  -8.270355      10.10452  
1 1 1 8   65  4  o 109.586 2.9185  6511.46    346.406  6243.19    492.421  6774.28    487.401  107.233 4.2397  111.715 4.0281  -4.481834      5.848181  
1 1 1 8   65  5  o 133.852 3.1323  9717.40    454.114  9863.93    656.614  9583.06    628.722  134.750 4.4990  132.829 4.3701  1.920624       6.272066  
1 1 1 8   65  6  o 153.896 3.2747  12849.33   545.851  12777.39   774.752  12920.23   769.177  153.322 4.6654  154.183 4.6059  -0.8618317     6.555964  
1 1 1 8   65  7  o 153.096 3.4113  12720.58   565.657  12477.31   835.968  12926.04   768.238  151.423 5.0971  154.191 4.6001  -2.767700      6.865983  
1 1 1 8   65  8  f 88.369  2.7988  4235.94    267.882  4121.68    386.403  4341.68    371.708  87.087  4.0965  89.400  3.8388  -2.313065      5.614071  
1 1 1 8   65  9  o 178.921 3.6257  17391.07   702.635  16694.83   999.349  18071.72   988.098  174.998 5.2725  182.130 5.0090  -7.131989      7.272445  
1 1 1 8   65  10 f 119.632 3.3915  7774.85    439.449  7423.91    779.281  7938.49    532.128  116.314 6.2082  120.802 4.0670  -4.487541      7.421723  
1 1 1 8   65  11 o 105.207 2.7519  6008.03    313.583  8091.63    715.625  5512.87    348.860  121.688 5.4296  100.737 3.1974  20.95046       6.301088  
1 1 1 8   65  12 o 74.941  2.7980  3049.59    227.111  3823.11    548.880  2889.80    249.469  83.268  6.1290  72.924  3.1585  10.34443       6.894973  
1 1 1 8   65  13 o 70.051  2.8399  2665.58    215.467  3726.82    530.520  2455.95    235.790  82.188  6.0012  67.209  3.2391  14.97839       6.819543  
1 1 1 8   65  14 o 26.655  7.0174  407.049    205.372  224.285    415.611  466.094    236.228  25.618  10.124  28.483  7.5393  -2.865822      12.62313  
1 1 1 8   65  15 o 26.052  8.7001  363.801    288.164  426.369    425.027  310.573    392.021  29.243  10.520  26.576  10.008  2.666508       14.52016  
1 1 1 8   65  16 o 84.044  3.0723  3844.90    279.670  3096.97    612.574  4041.85    314.343  74.053  7.7523  86.125  3.3698  -12.07183      8.453065  
1 1 1 8   65  17 o 178.768 3.8941  17471.59   753.981  15222.02   1457.37  18293.76   881.055  164.230 8.1931  182.660 4.4534  -18.43042      9.325205  
1 1 1 8   65  18 o 148.317 3.4351  12014.99   551.829  9687.83    1117.31  12765.80   634.633  130.591 7.9370  152.721 3.8367  -22.12959      8.815629  
1 1 1 8   65  19 o 115.761 3.1946  7318.54    400.542  6976.85    820.794  7425.35    458.891  111.175 6.8498  116.458 3.6381  -5.282524      7.755956  
1 1 1 8   65  20 o 115.322 3.1313  7267.79    391.116  6991.60    816.020  7350.16    445.639  111.071 6.8161  115.824 3.5523  -4.753082      7.686219  
1 1 1 8   65  21 o 80.131  3.2729  3518.28    284.055  3133.71    594.776  3631.91    323.309  73.464  7.5841  81.292  3.6720  -7.828308      8.426269  
1 1 1 8   65  22 o 43.722  4.6586  1078.01    217.212  851.391    468.243  1140.14    245.190  36.102  10.990  44.787  5.1482  -8.685280      12.13592  
1 1 1 8   65  23 o 55.338  4.5390  1732.53    269.660  0.0000     0.0000   1732.53    269.660  ?       ?       55.338  4.5390  0.000000       4.539037  
1 1 1 8   65  24 o 49.108  5.8956  1416.46    307.317  0.0000     0.0000   1416.46    307.317  ?       ?       49.108  5.8956  0.000000       5.895626  
1 1 1 8   65  25 o 106.761 4.6975  6499.85    543.185  0.0000     0.0000   6499.85    543.185  ?       ?       106.761 4.6975  0.000000       4.697487  
1 1 1 8   65  26 o 52.506  5.5125  1631.08    308.815  0.0000     0.0000   1631.08    308.815  ?       ?       52.506  5.5125  0.000000       5.512493  
1 1 1 8   65  27 o 39.609  8.1270  1039.14    336.959  0.0000     0.0000   1039.14    336.959  ?       ?       39.609  8.1270  0.000000       8.126957  
1 1 1 8   66  0  o 97.238  2.6351  5125.21    277.521  5337.31    378.155  4877.65    408.552  99.193  3.5198  94.804  3.9788  4.389320       5.312238  
1 1 1 8   66  1  o 161.929 3.4800  14223.55   610.349  13432.49   863.039  15015.07   863.288  157.217 5.0683  166.251 4.7943  -9.034180      6.976579  
1 1 1 8   66  2  o 442.746 7.5738  107018.60  3631.93  107634.80  5137.58  106403.10  5135.07  442.232 10.726  439.657 10.784  2.575470       15.20962  
1 1 1 8   66  3  o 223.100 4.2045  27025.83   1015.98  26125.49   1437.36  27924.79   1436.26  219.042 6.0585  226.501 5.8545  -7.458038      8.425051  
1 1 1 8   66  4  o 66.245  2.7790  2379.49    199.397  2379.51    283.721  2379.47    280.291  66.084  3.9825  66.088  3.9335  -0.4318237E-02 5.597619  
1 1 1 8   66  5  o 192.634 3.7589  20144.40   784.263  19676.64   1110.98  20609.03   1107.26  190.142 5.3946  194.620 5.2528  -4.477783      7.529528  
1 1 1 8   66  6  o 110.748 2.8916  6652.54    346.852  6503.17    492.946  6799.00    488.136  109.408 4.1599  111.879 4.0283  -2.471939      5.790666  
1 1 1 8   66  7  o 52.092  2.9461  1476.86    165.540  1596.18    247.334  1380.04    222.801  54.023  4.2617  50.224  4.1324  3.798561       5.936234  
1 1 1 8   66  8  o 90.737  2.7870  4466.78    273.905  4470.53    395.047  4463.31    380.105  90.687  4.0219  90.626  3.8724  0.6094360E-01  5.583133  
1 1 1 8   66  9  o 121.026 3.0376  7951.36    398.172  7461.22    571.029  8415.20    555.495  117.067 4.5035  124.379 4.1235  -7.312073      6.106106  
1 1 1 8   66  10 o 103.482 3.3899  5818.75    379.951  5735.71    728.127  5849.82    445.400  102.054 6.6231  103.694 3.9658  -1.640251      7.719652  
1 1 1 8   66  11 o 31.313  4.0612  542.640    134.491  929.264    436.319  502.050    141.375  40.005  10.075  30.026  4.4846  9.978645       11.02844  
1 1 1 8   66  12 o 147.060 3.1521  11753.63   502.075  12544.68   1047.82  11517.89   572.016  151.092 6.4029  145.493 3.6299  5.598877       7.360241  
1 1 1 8   66  13 o 203.112 4.0071  22485.51   881.537  20987.73   1780.76  22971.71   1014.57  194.085 8.4712  205.099 4.5672  -11.01494      9.623935  
1 1 1 8   66  14 o 101.299 3.5653  5589.50    391.177  5856.89    704.690  5470.40    470.290  102.861 6.3564  100.075 4.3388  2.786705       7.696030  
1 1 1 8   66  15 o 23.593  7.4048  307.811    210.687  240.721    416.327  330.909    244.276  25.801  10.153  24.641  8.0001  1.160116       12.92641  
1 1 1 8   66  16 o 77.993  3.1539  3313.07    266.428  3168.13    586.254  3350.79    299.099  75.020  7.3078  78.381  3.5232  -3.360550      8.112770  
1 1 1 8   66  17 o 51.519  3.8855  1459.66    215.216  1315.16    485.730  1494.96    240.068  47.038  9.8498  52.054  4.2964  -5.016758      10.74606  
1 1 1 8   66  18 o 71.360  3.3144  2780.51    256.172  3185.58    552.725  2669.70    289.096  75.095  6.8718  69.723  3.8430  5.371346       7.873422  
1 1 1 8   66  19 o 17.994  6.9270  128.062    190.402  471.841    417.444  37.754     213.954  29.429  10.443  16.719  7.0108  12.71005       12.57797  
1 1 1 8   66  20 o 72.780  3.3515  2899.40    264.195  2643.69    565.612  2970.76    298.794  67.517  7.8830  73.475  3.7672  -5.958618      8.736944  
1 1 1 8   66  21 o 79.243  2.8088  3432.09    241.075  3267.49    594.167  3464.53    263.761  75.008  7.4105  79.548  3.0613  -4.540939      8.017968  
1 1 1 8   66  22 o 30.748  1.7014  515.853    56.443   -231.4758  441.415  528.275    56.911   19.372  8.9539  31.118  1.6949  -11.74599      9.112862  
1 1 1 8   66  23 o 34.928  2.4078  671.191    90.533   0.0000     0.0000   671.191    90.533   ?       ?       34.928  2.4078  0.000000       2.407806  
1 1 1 8   66  24 o 34.677  8.2982  771.945    307.503  0.0000     0.0000   771.945    307.503  ?       ?       34.677  8.2982  0.000000       8.298158  
1 1 1 8   66  25 o 28.849  8.4807  549.664    282.581  0.0000     0.0000   549.664    282.581  ?       ?       28.849  8.4807  0.000000       8.480733  
1 1 1 8   66  26 o 26.802  8.5577  481.761    280.381  0.0000     0.0000   481.761    280.381  ?       ?       26.802  8.5577  0.000000       8.557667  
1 1 1 8   66  27 o 27.829  8.7461  534.011    293.815  0.0000     0.0000   534.011    293.815  ?       ?       27.829  8.7461  0.000000       8.746094  
1 1 1 8   67  0  o 233.589 4.4024  29635.18   1113.81  28470.09   1575.86  30798.22   1574.48  228.590 6.3649  237.809 6.1128  -9.218658      8.824848  
1 1 1 8   67  1  o 199.822 3.7111  21669.01   803.188  21636.54   1136.44  21701.41   1135.31  199.460 5.2604  199.761 5.2473  -0.3008881     7.430095  
1 1 1 8   67  2  o 267.353 5.0145  38863.02   1452.06  39697.37   2219.36  38238.53   1920.05  269.515 7.6028  264.786 6.6949  4.728943       10.13039  
1 1 1 8   67  3  o 101.940 2.8895  5635.47    319.032  5485.38    452.753  5783.49    449.623  100.499 4.1594  103.203 4.0224  -2.704308      5.786196  
1 1 1 8   67  4  o 247.789 4.5243  33370.32   1214.22  33016.24   1718.49  33723.33   1715.86  246.017 6.4493  248.659 6.3710  -2.642197      9.065474  
1 1 1 8   67  5  o 195.600 3.6997  20772.76   783.809  21203.88   1110.31  20344.49   1106.64  197.373 5.1938  193.315 5.2853  4.058411       7.410151  
1 1 1 8   67  6  o 68.595  2.3779  2551.12    176.664  2428.73    222.384  2760.48    290.859  66.903  3.0689  71.191  3.7858  -4.287270      4.873431  
1 1 1 8   67  7  o 268.551 4.8810  39269.48   1419.72  38422.29   2009.68  40113.49   2005.90  264.879 7.0050  270.715 6.8411  -5.836212      9.791384  
1 1 1 8   67  8  o 309.588 5.4562  52297.53   1829.53  52646.16   2589.78  51950.20   2584.93  309.452 7.7268  307.377 7.7644  2.074615       10.95395  
1 1 1 8   67  9  o 148.028 3.3781  11904.90   541.615  10889.15   800.594  12762.11   735.464  141.254 5.2329  153.086 4.4356  -11.83194      6.859872  
1 1 1 8   67  10 o 80.905  3.4465  3557.97    302.013  3560.54    591.872  3557.06    351.172  80.212  6.8793  80.842  4.0106  -0.6301880     7.963007  
1 1 1 8   67  11 o 140.532 3.1363  10731.47   477.373  11129.76   1002.80  10614.76   542.825  142.327 6.5051  139.693 3.5877  2.633163       7.428883  
1 1 1 8   67  12 o 52.764  3.3159  1519.90    188.538  1403.18    480.864  1541.10    204.948  49.351  9.3381  53.097  3.5847  -3.745899      10.00256  
1 1 1 8   67  13 o 87.003  3.0466  4115.51    287.092  4321.10    619.913  4059.38    323.922  88.298  6.5283  86.358  3.4631  1.940483       7.389974  
1 1 1 8   67  14 o 110.443 3.6352  6647.27    434.843  5963.32    777.105  6959.06    524.675  103.526 6.9710  112.865 4.2920  -9.338486      8.186361  
1 1 1 8   67  15 o 68.472  3.8797  2567.26    286.544  2834.35    531.876  2458.04    340.123  71.112  6.9961  66.814  4.7306  4.297531       8.445346  
1 1 1 8   67  16 o 103.539 3.1058  5839.56    348.298  6204.53    733.618  5733.35    395.744  105.535 6.4490  102.499 3.5647  3.035835       7.368616  
1 1 1 8   67  17 o 108.993 3.1140  6476.79    367.611  5560.92    767.667  6749.31    418.745  99.336  7.1835  111.171 3.4777  -11.83520      7.981036  
1 1 1 8   67  18 o 52.692  3.8769  1529.28    219.706  1161.68    486.699  1623.36    246.221  43.693  10.429  54.213  4.2266  -10.52084      11.25307  
1 1 1 8   67  19 o 52.841  3.9221  1540.77    222.867  1277.16    488.415  1610.09    250.463  45.775  10.120  53.916  4.3254  -8.141811      11.00584  
1 1 1 8   67  20 o 22.170  7.1886  275.150    197.266  276.353    428.424  274.827    222.224  25.917  10.268  22.478  7.6394  3.439121       12.79792  
1 1 1 8   67  21 o 65.282  3.5648  2351.84    251.101  2270.92    539.146  2374.26    283.755  61.724  8.2727  65.427  4.0237  -3.702755      9.199389  
1 1 1 8   67  22 o 46.392  1.8818  1172.52    94.558   369.199    466.789  1206.89    96.560   26.936  10.703  47.066  1.8942  -20.12969      10.86923  
1 1 1 8   67  23 o 46.728  6.0125  1282.41    297.243  0.0000     0.0000   1282.41    297.243  ?       ?       46.728  6.0125  0.000000       6.012513  
1 1 1 8   67  24 o 29.476  8.7996  569.586    302.361  0.0000     0.0000   569.586    302.361  ?       ?       29.476  8.7996  0.000000       8.799645  
1 1 1 8   67  25 o 44.925  7.1101  1251.82    334.448  0.0000     0.0000   1251.82    334.448  ?       ?       44.925  7.1101  0.000000       7.110122  
1 1 1 8   67  26 o 20.013  7.9053  202.002    253.270  0.0000     0.0000   202.002    253.270  ?       ?       20.013  7.9053  0.000000       7.905327  
1 1 1 8   68  0  o 132.843 3.0420  9571.63    437.697  9307.01    619.768  9834.94    618.228  130.886 4.3718  134.560 4.2419  -3.673538      6.091553  
1 1 1 8   68  1  f 119.298 2.9441  7718.67    380.415  7543.97    537.710  7893.73    538.266  117.849 4.2126  120.558 4.1222  -2.708588      5.893961  
1 1 1 8   68  2  o 316.152 5.4727  54412.15   1873.98  55134.93   2651.50  53690.79   2648.92  317.432 7.7121  313.207 7.8085  4.225281       10.97493  
1 1 1 8   68  3  o 98.807  2.6756  5293.97    286.343  5443.84    392.533  5123.51    418.625  100.142 3.6190  97.127  3.9794  3.015167       5.378934  
1 1 1 8   68  4  o 83.719  2.7550  3801.30    249.819  3866.35    354.458  3737.10    352.148  84.372  3.8788  82.947  3.9197  1.424721       5.514469  
1 1 1 8   68  5  f 182.761 3.6009  18137.84   712.785  18368.93   1008.00  17906.72   1008.06  183.677 5.0668  181.339 5.1324  2.338242       7.212114  
1 1 1 8   68  6  o 324.630 5.6262  57483.84   1978.22  57507.59   2799.32  57460.14   2795.95  323.520 7.9888  323.390 7.9824  0.1297302      11.29333  
1 1 1 8   68  7  o 90.896  2.7826  4483.04    273.945  4646.76    394.148  4330.05    381.018  92.451  3.9362  89.245  3.9418  3.206749       5.570580  
1 1 1 8   68  8  o 36.327  3.7022  724.715    143.629  639.701    218.211  789.702    190.785  33.672  6.2121  37.775  4.7694  -4.102558      7.831824  
1 1 1 8   68  9  f 80.207  2.9129  3492.84    253.055  3472.16    390.216  3507.86    332.435  79.697  4.5394  80.305  3.8220  -0.6083527     5.934088  
1 1 1 8   68  10 o 143.419 3.6826  11189.24   572.052  11888.24   1026.38  10874.25   688.987  147.155 6.4397  141.229 4.5042  5.925735       7.858560  
1 1 1 8   68  11 o 248.343 4.3182  33623.67   1161.52  37286.82   2349.57  32438.90   1336.22  259.153 8.3707  243.624 5.0639  15.52840       9.783277  
1 1 1 8   68  12 o 78.477  2.6203  3344.41    222.719  3167.05    348.078  3467.37    289.812  76.083  4.2408  79.837  3.3515  -3.753860      5.405305  
1 1 1 8   68  13 o 113.176 3.0773  6966.41    377.222  6202.43    793.080  7189.78    428.837  105.648 6.9700  114.914 3.4455  -9.266136      7.775095  
1 1 1 8   68  14 o 65.943  3.9537  2381.47    281.083  2078.87    526.408  2502.16    332.444  60.444  8.2568  67.473  4.5761  -7.029064      9.440063  
1 1 1 8   68  15 o 38.111  5.6563  817.051    226.402  1066.63    441.590  728.055    263.696  42.470  9.7992  35.582  7.0913  6.888428       12.09587  
1 1 1 8   68  16 o 27.293  6.4332  430.005    187.068  450.557    438.141  425.423    206.871  29.630  10.679  27.105  6.9983  2.524097       12.76771  
1 1 1 8   68  17 f 108.730 3.1209  6447.36    367.534  5877.46    770.998  6614.94    418.096  102.167 7.0098  110.033 3.5082  -7.865776      7.838667  
1 1 1 8   68  18 o 43.295  2.3542  1022.74    109.981  1625.77    477.551  988.970    113.019  52.614  8.6829  42.557  2.4624  10.05706       9.025336  
1 1 1 8   68  19 o 18.771  6.9070  163.776    184.664  -42.1699   423.168  212.220    205.237  21.497  9.4404  20.549  7.3191  0.9475117      11.94533  
1 1 1 8   68  20 o 33.825  5.5533  655.267    196.387  463.801    449.469  700.445    218.331  29.259  10.774  34.851  6.0005  -5.591938      12.33260  
1 1 1 8   68  21 o 63.376  3.6231  2222.00    247.664  1937.70    532.478  2300.48    279.767  56.200  9.0554  64.327  4.0359  -8.127068      9.914104  
1 1 1 8   68  22 o 50.578  4.0933  1435.77    222.316  1289.45    494.800  1472.78    248.848  43.882  10.542  51.022  4.5508  -7.140587      11.48256  
1 1 1 8   68  23 o 22.120  8.1428  268.613    256.692  0.0000     0.0000   268.613    256.692  ?       ?       22.120  8.1428  0.000000       8.142779  
1 1 1 8   68  24 o 33.068  7.4653  687.889    261.044  0.0000     0.0000   687.889    261.044  ?       ?       33.068  7.4653  0.000000       7.465294  
1 1 1 8   68  25 o 42.714  6.8420  1125.93    305.846  0.0000     0.0000   1125.93    305.846  ?       ?       42.714  6.8420  0.000000       6.841959  
1 1 1 8   68  26 o 30.058  8.4918  612.426    288.665  0.0000     0.0000   612.426    288.665  ?       ?       30.058  8.4918  0.000000       8.491842  
1 1 1 8   69  0  o 119.657 2.9900  7766.55    387.500  7824.25    550.903  7710.04    545.159  120.001 4.2386  119.123 4.2253  0.8778763      5.984878  
1 1 1 8   69  1  o 205.674 4.0083  22977.69   892.908  21714.47   1262.93  24240.26   1262.60  199.603 5.8417  210.963 5.5257  -11.36015      8.041089  
1 1 1 8   69  2  o 148.794 3.3021  12015.08   532.169  11309.30   779.882  12630.07   727.996  144.161 4.9947  152.428 4.4096  -8.266739      6.662677  
1 1 1 8   69  3  o 51.061  3.0963  1419.88    170.431  1119.48    241.555  1717.67    240.501  45.074  5.0338  56.088  3.9849  -11.01326      6.420181  
1 1 1 8   69  4  o 149.633 3.2725  12153.38   530.371  11332.64   747.765  12984.27   752.373  144.302 4.7843  154.504 4.4960  -10.20232      6.565330  
1 1 1 8   69  5  o 54.838  2.9119  1636.34    172.333  1695.49    247.657  1580.81    239.958  55.692  4.1352  53.762  4.1530  1.929565       5.860693  
1 1 1 8   69  6  o 152.034 3.2725  12551.35   538.874  11744.51   764.711  13347.19   759.481  146.838 4.8083  156.597 4.4778  -9.758728      6.570385  
1 1 1 8   69  7  o 113.679 2.9591  7015.11    364.346  6566.68    521.209  7443.64    509.517  109.830 4.3815  116.982 4.0213  -7.151985      5.947155  
1 1 1 8   69  8  o 115.437 2.9350  7234.94    366.964  7143.66    537.328  7314.73    502.365  114.536 4.3314  115.946 4.0003  -1.410240      5.896049  
1 1 1 8   69  9  o 106.384 2.8841  6145.48    332.323  5469.98    500.573  6677.84    444.380  100.159 4.6143  110.800 3.7029  -10.64156      5.916370  
1 1 1 8   69  10 o 44.668  1.8235  1081.74    88.219   745.739    131.318  1358.12    119.096  36.890  3.3222  50.036  2.1976  -13.14621      3.983275  
1 1 1 8   69  11 f 127.794 3.1353  8877.48    433.975  8901.16    910.270  8870.51    493.694  126.973 6.6420  127.673 3.5702  -0.6998291     7.540728  
1 1 1 8   69  12 o 56.609  3.4259  1750.49    209.064  1416.57    496.517  1822.45    230.493  49.406  9.6248  57.724  3.7063  -8.318092      10.31369  
1 1 1 8   69  13 o 78.143  3.6828  3327.95    311.705  3385.53    582.978  3304.90    368.858  77.890  6.9846  77.646  4.4042  0.2440414      8.257202  
1 1 1 8   69  14 o 173.149 5.2228  16466.03   979.482  15510.24   1391.14  17405.68   1379.33  166.684 7.7056  176.913 7.1985  -10.22855      10.54486  
1 1 1 8   69  15 o 129.178 3.7165  9110.40    519.981  8446.87    922.382  9419.51    629.552  122.970 6.9538  131.128 4.4327  -8.157242      8.246484  
1 1 1 8   69  16 o 111.874 3.1301  6822.59    379.278  6989.14    790.154  6772.73    432.341  111.826 6.5524  111.351 3.5848  0.4746475      7.468906  
1 1 1 8   69  17 o 107.570 3.1655  6313.80    368.809  5708.23    768.180  6495.20    420.434  100.553 7.0990  108.996 3.5614  -8.443245      7.942267  
1 1 1 8   69  18 o 76.996  2.6596  3229.77    221.793  2761.96    584.458  3308.47    239.725  69.210  7.9404  77.895  2.8414  -8.685005      8.433500  
1 1 1 8   69  19 o 29.942  6.0437  518.912    189.241  535.207    446.644  515.347    208.921  30.750  10.814  29.679  6.6625  1.070930       12.70124  
1 1 1 8   69  20 o 29.105  6.6285  499.738    204.281  1000.52    448.181  368.416    229.508  39.843  10.307  25.081  7.7052  14.76248       12.86908  
1 1 1 8   69  21 o 63.894  3.7379  2265.49    257.548  2348.19    541.282  2241.29    292.818  62.327  8.2187  63.307  4.2959  -0.9802666     9.273663  
1 1 1 8   69  22 o 13.274  6.1308  -134.3970  206.390  0.0000     0.0000   -134.3970  206.390  ?       ?       13.274  6.1308  0.000000       6.130785  
1 1 1 8   69  23 o 19.455  7.8179  152.133    251.916  0.0000     0.0000   152.133    251.916  ?       ?       19.455  7.8179  0.000000       7.817896  
1 1 1 8   69  24 o 22.480  8.3041  290.525    267.352  0.0000     0.0000   290.525    267.352  ?       ?       22.480  8.3041  0.000000       8.304098  
1 1 1 8   69  25 o 41.616  7.0510  1079.85    306.473  0.0000     0.0000   1079.85    306.473  ?       ?       41.616  7.0510  0.000000       7.050984  
1 1 1 8   69  26 o 28.567  8.2226  546.575    268.156  0.0000     0.0000   546.575    268.156  ?       ?       28.567  8.2226  0.000000       8.222615  
1 1 1 8   70  0  o 84.398  2.8204  3863.84    257.821  3815.88    357.632  3915.75    372.021  83.808  3.9399  84.890  4.0461  -1.082214      5.647449  
1 1 1 8   70  1  o 56.180  2.9489  1717.02    178.805  1752.54    250.920  1680.38    254.865  56.638  4.1185  55.434  4.2779  1.204235       5.938234  
1 1 1 8   70  2  o 213.073 4.0197  24672.41   927.677  24580.76   1313.23  24763.70   1310.64  212.300 5.7111  213.097 5.6785  -0.7970428     8.053718  
1 1 1 8   70  3  o 183.281 3.8538  18252.44   765.027  17873.72   1145.49  18557.38   1027.86  180.978 5.8438  184.566 5.1418  -3.587555      7.783836  
1 1 1 8   70  4  o 252.751 4.6399  34773.14   1270.21  33914.20   1797.28  35630.29   1795.41  248.937 6.6659  255.225 6.4948  -6.288101      9.306817  
1 1 1 8   70  5  o 241.885 4.4321  31843.55   1161.16  31391.73   1643.92  32293.40   1640.34  239.542 6.3362  242.998 6.2325  -3.455734      8.887677  
1 1 1 8   70  6  f 70.920  2.6978  2729.23    207.226  2646.04    299.116  2806.00    287.361  69.638  3.9823  71.753  3.7103  -2.115036      5.442850  
1 1 1 8   70  7  o 108.017 2.9034  6334.12    339.673  6372.88    499.867  6300.87    462.989  108.193 4.2657  107.618 3.9721  0.5752106      5.828647  
1 1 1 8   70  8  o 44.752  3.4745  1095.20    167.095  1121.05    276.117  1080.27    209.891  44.898  5.8146  44.309  4.4330  0.5889511      7.311766  
1 1 1 8   70  9  o 58.645  2.3941  1866.09    152.066  1782.74    182.531  2055.15    274.919  57.215  2.9556  61.285  4.1665  -4.069637      5.108296  
1 1 1 8   70  10 o 144.934 3.6880  11432.71   578.938  12658.98   1035.70  10875.43   698.205  151.785 6.2999  141.170 4.5664  10.61526       7.780786  
1 1 1 8   70  11 o 129.697 3.1418  9146.23    441.347  10229.25   923.240  8825.42    502.480  136.355 6.2513  127.314 3.6439  9.041428       7.235840  
1 1 1 8   70  12 o 24.258  6.1642  336.469    162.293  693.331    428.422  276.679    175.363  34.704  10.501  22.272  6.7134  12.43198       12.46320  
1 1 1 8   70  13 o 29.880  6.4946  511.866    204.188  587.017    432.214  490.275    231.671  32.451  10.647  29.148  7.3420  3.303160       12.93282  
1 1 1 8   70  14 o 26.106  1.4938  370.741    42.063   372.578    42.302   209.924    395.826  26.170  1.4986  24.820  9.8579  1.350290       9.971121  
1 1 1 8   70  15 o 35.101  5.0498  690.948    186.458  428.019    439.574  748.635    205.900  29.264  10.673  36.487  5.3707  -7.223576      11.94843  
1 1 1 8   70  16 o 88.496  3.1013  4269.67    297.260  4018.99    637.865  4339.21    335.973  84.436  7.0389  89.137  3.4800  -4.700653      7.852187  
1 1 1 8   70  17 o 32.706  5.8442  611.426    199.426  203.247    454.773  708.606    221.900  25.586  10.424  35.215  6.0350  -9.628077      12.04465  
1 1 1 8   70  18 f 65.011  3.5879  2321.15    251.660  2377.86    541.651  2305.54    284.198  64.115  7.9721  64.661  4.0789  -0.5462189     8.954949  
1 1 1 8   70  19 o 66.938  2.6147  2443.50    189.565  2712.03    547.735  2406.96    202.051  68.479  7.5080  66.399  2.8095  2.079681       8.016402  
1 1 1 8   70  20 o 31.442  5.8778  575.067    192.809  1103.32    455.944  460.029    212.770  41.693  10.184  27.746  7.0622  13.94746       12.39312  
1 1 1 8   70  21 o 16.198  6.7961  48.781     201.238  478.991    435.155  -68.2529   226.965  28.464  10.578  15.033  6.7390  13.43052       12.54263  
1 1 1 8   70  22 o 44.754  6.1560  1179.22    290.503  0.0000     0.0000   1179.22    290.503  ?       ?       44.754  6.1560  0.000000       6.156010  
1 1 1 8   70  23 o 18.545  7.4846  131.277    231.999  0.0000     0.0000   131.277    231.999  ?       ?       18.545  7.4846  0.000000       7.484628  
1 1 1 8   70  24 o 43.437  6.0990  1129.57    279.034  0.0000     0.0000   1129.57    279.034  ?       ?       43.437  6.0990  0.000000       6.099030  
1 1 1 8   70  25 o 15.910  7.1994  -63.9672   266.025  0.0000     0.0000   -63.9672   266.025  ?       ?       15.910  7.1994  0.000000       7.199378  
1 1 1 8   70  26 o 45.429  6.7559  1279.05    322.304  0.0000     0.0000   1279.05    322.304  ?       ?       45.429  6.7559  0.000000       6.755925  
1 1 1 8   71  0  o 35.709  3.7005  700.071    141.044  655.734    195.394  748.307    203.804  34.268  5.4467  36.688  5.2810  -2.419743      7.586566  
1 1 1 8   71  1  o 182.150 3.6553  18023.33   721.154  17808.39   1020.33  18237.88   1019.41  180.774 5.2111  182.956 5.1444  -2.181381      7.322587  
1 1 1 8   71  2  o 94.211  2.7804  4815.47    283.708  4947.92    403.236  4685.63    399.242  95.413  3.9020  92.843  3.9702  2.569328       5.566694  
1 1 1 8   71  3  o 54.081  2.8917  1591.68    168.770  1446.11    239.651  1734.90    237.715  51.374  4.3478  56.358  3.9187  -4.984741      5.853117  
1 1 1 8   71  4  o 104.440 2.7906  5919.06    315.670  5894.40    448.543  5943.27    444.337  104.114 3.9776  104.550 3.9239  -0.4364395     5.587359  
1 1 1 8   71  5  o 70.944  2.7616  2731.38    212.201  2741.65    298.737  2720.91    301.476  70.897  3.9054  70.621  3.9573  0.2761459      5.559891  
1 1 1 8   71  6  o 106.163 2.8270  6117.83    325.070  6097.75    464.327  6137.13    455.244  105.860 4.0497  106.212 3.9573  -0.3527222     5.662190  
1 1 1 8   71  7  o 26.702  4.6403  399.742    129.331  331.279    221.084  435.358    159.462  24.522  7.5672  27.747  5.5003  -3.225121      9.355029  
1 1 1 8   71  8  o 129.185 3.0521  9065.59    427.046  8919.38    613.372  9203.14    594.919  127.923 4.4270  129.979 4.2259  -2.056015      6.120114  
1 1 1 8   71  9  o 80.626  3.2124  3533.40    280.530  3040.38    426.301  3909.96    372.564  74.367  5.3279  84.721  4.0601  -10.35413      6.698561  
1 1 1 8   71  10 o 38.103  5.5392  811.633    221.903  1002.84    456.118  752.344    253.987  41.402  10.231  36.409  6.6871  4.993000       12.22225  
1 1 1 8   71  11 o 64.441  3.1878  2258.79    222.499  2237.35    530.839  2263.36    245.065  62.961  7.9623  64.380  3.5279  -1.418804      8.708860  
1 1 1 8   71  12 o 61.230  3.2857  2046.39    217.108  2139.44    514.070  2026.19    239.517  61.505  7.8995  60.871  3.6498  0.6340179      8.701860  
1 1 1 8   71  13 o 65.742  3.7850  2365.51    268.377  2819.19    528.741  2208.06    311.484  70.953  6.9702  63.354  4.5700  7.598701       8.334765  
1 1 1 8   71  14 o 38.865  5.7134  850.147    233.327  744.215    451.553  888.734    272.529  35.606  10.782  39.522  6.5992  -3.915878      12.64109  
1 1 1 8   71  15 o 42.643  4.3098  1006.52    196.325  702.201    457.010  1075.39    217.408  34.622  10.912  44.021  4.6291  -9.399143      11.85322  
1 1 1 8   71  16 o 62.397  2.5857  2118.76    174.745  1890.80    521.367  2147.61    185.473  56.980  8.7257  62.803  2.7266  -5.822758      9.141832  
1 1 1 8   71  17 o 72.845  3.3602  2900.24    265.114  2796.80    574.064  2928.28    298.897  69.822  7.7202  73.011  3.7928  -3.188904      8.601558  
1 1 1 8   71  18 o 38.293  5.2964  828.448    213.787  520.867    463.950  911.364    240.886  30.723  10.998  40.067  5.7126  -9.344120      12.39291  
1 1 1 8   71  19 o 44.292  2.0038  1067.07    96.128   736.134    476.658  1081.10    98.145   34.470  11.174  44.579  2.0327  -10.10909      11.35740  
1 1 1 8   71  20 o 60.181  3.7736  2008.24    244.726  2165.95    530.015  1965.50    275.898  59.916  8.3979  59.319  4.3240  0.5973053      9.445748  
1 1 1 8   71  21 o 108.488 3.7480  6531.86    440.407  0.0000     0.0000   6531.86    440.407  ?       ?       108.488 3.7480  0.000000       3.748040  
1 1 1 8   71  22 o 41.840  6.5707  1045.63    287.954  0.0000     0.0000   1045.63    287.954  ?       ?       41.840  6.5707  0.000000       6.570719  
1 1 1 8   71  23 o 24.104  8.3153  354.018    263.502  0.0000     0.0000   354.018    263.502  ?       ?       24.104  8.3153  0.000000       8.315303  
1 1 1 8   71  24 o 44.509  6.4518  1200.59    301.960  0.0000     0.0000   1200.59    301.960  ?       ?       44.509  6.4518  0.000000       6.451798  
1 1 1 8   71  25 o 38.872  7.4613  961.735    302.715  0.0000     0.0000   961.735    302.715  ?       ?       38.872  7.4613  0.000000       7.461270  
1 1 1 8   72  0  o 164.722 3.3389  14735.06   595.704  15149.75   843.238  14321.92   841.669  166.803 4.6674  162.158 4.7922  4.645096       6.689522  
1 1 1 8   72  1  o 161.397 3.3548  14147.16   586.449  13675.20   829.855  14618.01   828.874  158.440 4.8358  163.843 4.6708  -5.403000      6.723186  
1 1 1 8   72  2  o 61.367  2.7781  2043.54    184.655  2193.65    264.379  1900.55    258.020  63.405  3.8682  58.976  4.0641  4.429089       5.610725  
1 1 1 8   72  3  o 75.192  2.4492  3066.80    199.463  2898.45    257.663  3318.56    315.091  73.055  3.2564  78.136  3.7232  -5.081337      4.946323  
1 1 1 8   72  4  o 87.775  2.5921  4180.19    246.429  4081.97    330.176  4303.71    370.267  86.670  3.5173  88.963  3.8427  -2.293320      5.209373  
1 1 1 8   72  5  o 82.988  2.4786  3736.40    222.788  3874.25    293.941  3550.30    341.526  84.453  3.2135  80.787  3.9031  3.665886       5.055744  
1 1 1 8   72  6  o 17.435  1.9531  166.883    36.249   156.795    37.233   350.149    158.695  16.877  2.0810  24.801  5.9779  -7.924156      6.329710  
1 1 1 8   72  7  o 68.823  2.9878  2572.58    222.721  2654.52    333.090  2506.33    299.528  69.650  4.4385  67.722  4.1029  1.928329       6.044330  
1 1 1 8   72  8  o 112.660 3.0474  6895.86    371.856  6984.36    539.889  6815.99    512.915  113.181 4.4041  111.837 4.2344  1.344009       6.109517  
1 1 1 8   72  9  o 133.444 3.1981  9681.00    462.237  9834.68    672.671  9543.52    636.252  134.215 4.6273  132.255 4.4417  1.959671       6.414104  
1 1 1 8   72  10 o 82.050  3.6319  3665.93    322.764  3693.76    606.704  3654.95    381.182  81.494  6.9397  81.722  4.3218  -0.2284546     8.175388  
1 1 1 8   72  11 o 67.216  2.5084  2453.63    182.620  2301.29    257.589  2607.59    258.944  64.888  3.6803  69.206  3.4546  -4.317101      5.047627  
1 1 1 8   72  12 o 96.774  3.2261  5097.62    338.146  4785.13    524.622  5319.72    442.273  93.240  5.2158  98.698  4.1372  -5.458374      6.657423  
1 1 1 8   72  13 o 102.874 3.5411  5770.57    394.561  5314.69    723.384  5963.63    470.751  97.582  6.8886  104.445 4.1613  -6.863281      8.047935  
1 1 1 8   72  14 o 109.773 3.6395  6578.88    432.728  5939.65    776.316  6867.03    521.211  102.973 7.0022  111.974 4.2976  -9.001175      8.215846  
1 1 1 8   72  15 o 78.278  3.1535  3340.81    267.360  3095.92    588.711  3404.44    300.092  73.889  7.4582  78.956  3.5091  -5.067017      8.242474  
1 1 1 8   72  16 o 97.889  2.9234  5223.40    309.947  5399.87    697.610  5180.00    345.970  98.023  6.6093  97.400  3.2795  0.6233902      7.378251  
1 1 1 8   72  17 f 59.338  3.5936  1934.17    229.867  1622.18    516.635  2011.18    256.673  52.155  9.4955  60.426  3.9435  -8.270557      10.28184  
1 1 1 8   72  18 o 62.616  3.6023  2157.03    243.275  2093.38    538.843  2173.33    272.644  59.585  8.5983  62.730  4.0342  -3.144798      9.497642  
1 1 1 8   72  19 o 39.854  2.1916  867.741    94.240   984.641    475.861  862.969    96.144   39.229  10.839  39.736  2.2431  -0.5065041     11.06909  
1 1 1 8   72  20 o 7.6305  3.0078  18.218     36.592   -8.8125    444.511  18.403     36.716   21.712  9.5993  7.6500  3.0137  14.06178       10.06130  
1 1 1 8   72  21 o 6.7671  2.6739  13.973     28.984   0.0000     0.0000   13.973     28.984   ?       ?       6.7671  2.6739  0.000000       2.673898  
1 1 1 8   72  22 o 72.931  4.9795  3036.34    390.993  0.0000     0.0000   3036.34    390.993  ?       ?       72.931  4.9795  0.000000       4.979530  
1 1 1 8   72  23 o 66.853  4.9931  2570.09    358.934  0.0000     0.0000   2570.09    358.934  ?       ?       66.853  4.9931  0.000000       4.993051  
1 1 1 8   72  24 o 37.320  7.4591  881.124    290.961  0.0000     0.0000   881.124    290.961  ?       ?       37.320  7.4591  0.000000       7.459055  
1 1 1 8   72  25 o 16.433  7.4881  -84.9166   294.117  0.0000     0.0000   -84.9166   294.117  ?       ?       16.433  7.4881  0.000000       7.488068  
1 1 1 8   73  0  o 49.478  3.7069  1338.02    197.207  1202.77    359.614  1396.18    235.829  46.230  7.4338  50.462  4.3576  -4.231239      8.616883  
1 1 1 8   73  1  o 25.531  4.9249  367.204    131.250  395.624    180.639  335.421    191.027  26.363  6.3924  24.411  6.9120  1.951166       9.414794  
1 1 1 8   73  2  o 20.971  4.9911  249.408    111.728  231.914    166.528  263.729    150.674  20.751  6.5919  21.675  6.1392  -0.9241199     9.007944  
1 1 1 8   73  3  o 91.802  2.7918  4574.19    277.594  4453.00    394.275  4693.33    390.900  90.469  4.0237  92.893  3.8852  -2.423820      5.593332  
1 1 1 8   73  4  o 45.109  3.0980  1110.29    150.445  1172.87    215.178  1050.44    210.426  46.206  4.3508  43.681  4.5128  2.525311       6.268574  
1 1 1 8   73  5  o 59.007  2.8481  1890.31    182.021  1992.07    275.657  1811.64    242.377  60.335  4.2453  57.571  3.9102  2.764122       5.771677  
1 1 1 8   73  6  o 65.628  2.8978  2338.86    205.979  2342.54    294.934  2335.35    287.793  65.453  4.1822  65.366  4.0855  0.8689117E-01  5.846507  
1 1 1 8   73  7  o 38.113  1.4121  787.200    58.290   807.140    60.320   505.842    226.587  38.592  1.4431  29.719  7.1305  8.873020       7.275088  
1 1 1 8   73  8  o 54.430  3.6662  1619.65    214.877  1797.75    322.840  1478.00    287.915  57.084  5.2814  51.727  5.2099  5.357101       7.418681  
1 1 1 8   73  9  f 62.576  3.2965  2135.80    222.635  2370.21    324.926  1928.37    305.663  65.719  4.5937  59.205  4.8082  6.513546       6.649908  
1 1 1 8   73  10 o 15.575  6.3298  55.125     167.188  12.307     303.350  73.806     200.365  19.363  8.2440  17.195  6.9501  2.168072       10.78276  
1 1 1 8   73  11 o 18.440  6.9982  136.352    192.595  -157.0211  428.013  210.834    215.662  20.721  9.2739  20.964  7.4988  -0.2429352     11.92638  
1 1 1 8   73  12 o 55.480  2.3972  1671.90    144.052  1539.84    502.807  1683.70    150.354  51.460  9.3661  55.669  2.4936  -4.208305      9.692406  
1 1 1 8   73  13 o 27.057  1.8231  399.009    53.116   396.969    53.579   515.422    404.716  26.985  1.8442  30.614  10.310  -3.628937      10.47370  
1 1 1 8   73  14 o 13.611  6.1592  -101.2107  194.715  350.069    414.164  -229.2608  220.617  27.453  10.297  12.977  6.1065  14.47560       11.97141  
1 1 1 8   73  15 o 19.292  6.6922  189.676    170.788  598.283    427.579  112.109    186.295  32.255  10.590  17.534  6.8231  14.72100       12.59760  
1 1 1 8   73  16 o 71.653  2.6378  2795.74    204.712  3175.01    561.281  2737.55    219.857  74.838  7.0060  70.869  2.8643  3.969368       7.568923  
1 1 1 8   73  17 o 71.476  3.3898  2794.60    262.423  3058.64    562.006  2720.98    296.762  73.211  7.1800  70.307  3.9126  2.903328       8.176805  
1 1 1 8   73  18 o 74.647  3.2735  3051.44    264.665  2971.51    593.124  3071.32    295.740  71.501  7.7846  74.788  3.6510  -3.287178      8.598252  
1 1 1 8   73  19 o 84.469  3.3634  3922.34    307.717  3412.54    641.776  4074.53    350.653  75.960  7.9169  85.929  3.7676  -9.969452      8.767716  
1 1 1 8   73  20 o 43.887  2.0140  1050.14    95.733   664.001    484.496  1065.83    97.658   31.989  11.261  44.210  2.0395  -12.22075      11.44437  
1 1 1 8   73  21 o 35.056  6.8246  741.513    249.807  0.0000     0.0000   741.513    249.807  ?       ?       35.056  6.8246  0.000000       6.824624  
1 1 1 8   73  22 o 21.744  8.0304  257.996    249.992  0.0000     0.0000   257.996    249.992  ?       ?       21.744  8.0304  0.000000       8.030414  
1 1 1 8   73  23 o 23.247  8.3644  321.891    268.691  0.0000     0.0000   321.891    268.691  ?       ?       23.247  8.3644  0.000000       8.364376  
1 1 1 8   73  24 o 28.918  8.8685  564.392    304.194  0.0000     0.0000   564.392    304.194  ?       ?       28.918  8.8685  0.000000       8.868495  
1 1 1 8   73  25 o 28.015  8.5787  526.165    284.759  0.0000     0.0000   526.165    284.759  ?       ?       28.015  8.5787  0.000000       8.578701  
1 1 1 8   74  0  o 91.497  4.1050  4555.71    406.807  4936.29    576.061  4177.12    574.566  94.878  5.6309  87.147  6.1261  7.730865       8.320884  
1 1 1 8   74  1  o 41.207  3.3817  928.790    149.599  821.293    211.994  1035.42    211.138  38.446  5.2265  43.359  4.5645  -4.912922      6.939037  
1 1 1 8   74  2  o 97.758  2.7360  5186.94    289.692  5510.98    413.218  4873.75    406.244  100.663 3.7900  94.646  3.9629  6.017273       5.483509  
1 1 1 8   74  3  o 64.988  2.2593  2290.74    159.025  2365.37    195.184  2143.38    274.267  66.014  2.7298  62.624  4.0655  3.390057       4.896991  
1 1 1 8   74  4  o 93.493  2.6397  4744.02    267.304  4527.15    358.569  5015.30    401.036  91.243  3.6283  96.011  3.8565  -4.767746      5.295012  
1 1 1 8   74  5  o 170.544 3.5345  15815.54   652.880  15267.96   963.157  16281.04   888.034  167.137 5.3205  172.754 4.7460  -5.617737      7.129717  
1 1 1 8   74  6  o 49.106  3.8747  1320.74    204.410  1442.36    302.586  1218.64    277.234  51.043  5.5633  46.867  5.5706  4.175785       7.872873  
1 1 1 8   74  7  o 93.785  3.0632  4779.84    311.161  4542.32    447.924  5001.35    432.573  91.238  4.5327  95.793  4.1692  -4.554680      6.158559  
1 1 1 8   74  8  o 136.050 3.2809  10067.00   483.456  9643.17    695.543  10463.17   672.461  132.822 4.8348  138.444 4.4846  -5.621536      6.594499  
1 1 1 8   74  9  o 131.912 3.2142  9464.71    459.221  8851.35    664.249  10026.25   635.573  127.219 4.8207  135.528 4.3298  -8.308289      6.479661  
1 1 1 8   74  10 f 41.059  4.7206  933.995    206.110  924.849    334.773  939.578    261.560  40.087  7.9909  40.885  6.0927  -0.7979698     10.04866  
1 1 1 8   74  11 o 19.792  7.1456  184.012    196.298  -424.6304  432.289  342.113    220.323  18.249  8.5747  24.708  7.5423  -6.459364      11.41982  
1 1 1 8   74  12 o 23.414  7.0770  308.034    194.678  -101.9058  437.212  409.411    217.421  21.508  9.5142  26.676  7.3088  -5.167681      11.99749  
1 1 1 8   74  13 f 59.386  4.1627  1939.34    266.057  1282.74    520.335  2171.77    309.588  46.271  10.609  62.762  4.5860  -16.49148      11.55770  
1 1 1 8   74  14 o 111.188 3.0786  6737.64    370.754  7596.02    790.783  6495.80    419.746  116.744 6.2770  109.060 3.5535  7.684494       7.213002  
1 1 1 8   74  15 o 48.012  3.9779  1271.56    204.995  1346.34    482.657  1255.10    226.432  47.472  9.7144  47.591  4.4442  -0.1189461     10.68271  
1 1 1 8   74  16 o 19.728  1.3559  212.084    28.797   246.542    426.480  211.926    28.863   25.686  10.223  19.721  1.3596  5.965225       10.31276  
1 1 1 8   74  17 o 103.725 3.0155  5876.48    338.773  5135.10    607.357  6211.32    408.166  95.660  5.8906  106.468 3.5395  -10.80861      6.872256  
1 1 1 8   74  18 o 79.481  3.3684  3465.80    289.970  3535.52    619.590  3446.25    328.121  78.081  7.4154  79.107  3.8295  -1.026733      8.345866  
1 1 1 8   74  19 o 52.090  4.3209  1519.22    241.580  642.427    518.014  1762.91    273.096  32.118  11.606  56.046  4.5378  -23.92776      12.46161  
1 1 1 8   74  20 o 25.731  1.6514  361.686    45.780   0.0000     0.0000   361.686    45.780   ?       ?       25.731  1.6514  0.000000       1.651408  
1 1 1 8   74  21 o 18.673  7.5100  130.597    232.686  0.0000     0.0000   130.597    232.686  ?       ?       18.673  7.5100  0.000000       7.509955  
1 1 1 8   74  22 o 22.622  8.3198  288.601    267.881  0.0000     0.0000   288.601    267.881  ?       ?       22.622  8.3198  0.000000       8.319781  
1 1 1 8   74  23 o 35.329  8.2667  810.682    310.708  0.0000     0.0000   810.682    310.708  ?       ?       35.329  8.2667  0.000000       8.266662  
1 1 1 8   74  24 o 23.809  8.8168  344.809    301.760  0.0000     0.0000   344.809    301.760  ?       ?       23.809  8.8168  0.000000       8.816820  
1 1 1 8   75  0  f 83.699  4.1026  3813.27    371.926  3992.77    526.386  3634.32    525.579  85.254  5.7339  81.260  6.0143  3.993835       8.309604  
1 1 1 8   75  1  o 69.760  2.6403  2641.10    199.495  2673.45    263.372  2597.55    305.561  70.132  3.4672  68.958  4.1098  1.174461       5.376990  
1 1 1 8   75  2  o 68.008  2.7588  2510.70    203.216  2699.18    292.205  2334.15    282.806  70.332  3.8505  65.366  4.0139  4.966164       5.562189  
1 1 1 8   75  3  o 61.150  2.9360  2030.65    194.459  1914.13    289.690  2126.21    262.350  59.083  4.5623  62.387  3.9022  -3.304180      6.003440  
1 1 1 8   75  4  o 143.399 3.2310  11174.84   501.822  10668.06   709.503  11682.14   709.866  139.842 4.6843  146.384 4.4773  -6.541702      6.479860  
1 1 1 8   75  5  o 90.924  3.0542  4491.69    300.780  4293.05    429.368  4683.10    421.477  88.613  4.4883  92.708  4.1975  -4.094643      6.145210  
1 1 1 8   75  6  o 134.202 3.2012  9790.53    465.312  10195.64   661.982  9394.91    654.188  136.706 4.4708  131.199 4.6037  5.507019       6.417337  
1 1 1 8   75  7  o 182.104 3.7512  18058.96   739.881  17328.23   1051.19  18776.37   1041.57  177.833 5.4576  185.217 5.1920  -7.384247      7.532773  
1 1 1 8   75  8  o 206.285 3.9729  23196.62   887.660  23508.96   1262.59  22891.36   1248.22  206.987 5.6318  204.245 5.6425  2.741989       7.972124  
1 1 1 8   75  9  o 50.383  3.9859  1392.90    215.738  1778.20    346.710  1149.46    275.589  56.613  5.7334  45.397  5.7327  11.21580       8.107753  
1 1 1 8   75  10 o 72.824  3.3524  2887.54    264.424  2622.93    419.289  3062.27    340.723  68.842  5.6739  74.761  4.2251  -5.919640      7.074179  
1 1 1 8   75  11 o 132.971 3.7671  9647.09    542.545  8397.40    968.789  10218.11   654.872  122.597 7.3295  136.657 4.4244  -14.06033      8.561340  
1 1 1 8   75  12 o 33.018  8.6272  638.287    311.937  482.317    460.748  770.277    423.849  30.576  10.958  36.099  10.322  -5.522892      15.05399  
1 1 1 8   75  13 o 22.438  7.3806  272.492    207.659  224.082    438.341  286.501    235.798  25.792  10.331  23.238  7.8695  2.554014       12.98668  
1 1 1 8   75  14 o 42.070  4.2601  980.332    191.438  1078.24    473.109  961.163    209.341  42.242  10.408  41.543  4.7372  0.6985664      11.43553  
1 1 1 8   75  15 o 94.272  3.0930  4848.48    315.818  5239.70    681.849  4741.62    356.347  96.569  6.5579  93.123  3.5330  3.445839       7.449042  
1 1 1 8   75  16 o 37.945  1.6839  781.626    69.205   666.616    101.835  880.324    94.337   34.871  2.7177  40.178  2.1759  -5.307777      3.481479  
1 1 1 8   75  17 o 33.144  5.9282  632.672    204.997  608.389    460.129  638.685    228.977  32.121  10.992  33.088  6.6204  -0.9666443     12.83210  
1 1 1 8   75  18 o 73.335  3.4639  2957.16    275.136  2783.62    590.649  3005.25    310.930  68.512  8.1175  73.679  3.9102  -5.167389      9.010201  
1 1 1 8   75  19 o 38.449  5.5697  854.675    225.194  818.367    490.468  864.374    253.493  35.007  11.333  38.336  6.3257  -3.329300      12.97920  
1 1 1 8   75  20 o 14.696  6.6863  -105.3357  233.346  0.0000     0.0000   -105.3357  233.346  ?       ?       14.696  6.6863  0.000000       6.686317  
1 1 1 8   75  21 o 39.591  7.0643  951.642    291.813  0.0000     0.0000   951.642    291.813  ?       ?       39.591  7.0643  0.000000       7.064323  
1 1 1 8   75  22 o 21.777  8.2966  250.768    271.353  0.0000     0.0000   250.768    271.353  ?       ?       21.777  8.2966  0.000000       8.296622  
1 1 1 8   75  23 o 49.097  5.7879  1427.23    301.866  0.0000     0.0000   1427.23    301.866  ?       ?       49.097  5.7879  0.000000       5.787857  
1 1 1 8   75  24 o 21.156  8.2408  234.336    271.962  0.0000     0.0000   234.336    271.962  ?       ?       21.156  8.2408  0.000000       8.240791  
1 1 1 8   76  0  o 54.023  3.5017  1593.35    203.793  1627.76    243.104  1512.01    373.786  54.518  4.1481  52.034  6.7946  2.484573       7.960732  
1 1 1 8   76  1  o 27.281  7.3928  423.840    223.890  441.869    343.419  410.513    295.265  28.730  9.4934  27.445  8.7839  1.285540       12.93370  
1 1 1 8   76  2  o 82.324  3.1018  3681.98    276.575  4795.15    528.011  3261.07    324.680  93.530  5.2332  77.309  3.8900  16.22144       6.520590  
1 1 1 8   76  3  o 93.863  2.6556  4782.71    269.980  5027.70    366.760  4492.94    398.878  96.149  3.5218  90.829  4.0546  5.319534       5.370543  
1 1 1 8   76  4  o ?       ?       -91.4805   23.233   -90.3141   23.399   -172.8030  195.381  ?       ?       12.683  5.8952  0.000000       5.895154  
1 1 1 8   76  5  o 156.460 3.4032  13314.80   576.713  12898.32   818.476  13725.47   812.744  153.632 4.9187  158.534 4.7333  -4.902420      6.826260  
1 1 1 8   76  6  o 60.138  3.4545  1974.19    224.066  1986.56    323.350  1962.75    310.778  60.066  5.0161  59.735  4.8452  0.3307762      6.974069  
1 1 1 8   76  7  o 95.178  3.0761  4924.97    317.108  4845.83    455.383  4999.47    441.841  94.208  4.4629  95.724  4.2616  -1.516129      6.170815  
1 1 1 8   76  8  o 33.967  5.2775  646.820    187.859  720.164    312.703  605.400    234.991  35.257  8.3225  32.510  6.8877  2.746208       10.80300  
1 1 1 8   76  9  o 146.327 3.3528  11656.51   531.380  11526.56   763.617  11778.52   739.914  145.093 4.8591  146.736 4.6556  -1.642960      6.729471  
1 1 1 8   76  10 o 100.838 2.9801  5531.67    325.483  5121.15    446.830  5995.73    475.071  96.796  4.2620  104.752 4.1872  -7.956383      5.974748  
1 1 1 8   76  11 o 38.536  5.9306  837.809    239.593  630.207    474.441  908.877    277.589  33.506  11.163  39.984  6.6430  -6.477833      12.98965  
1 1 1 8   76  12 o 141.137 3.8352  10884.59   586.265  9501.36    1091.23  11445.86   695.104  129.856 7.7947  144.510 4.4410  -14.65417      8.971027  
1 1 1 8   76  13 o 121.931 3.7154  8125.97    490.671  7326.99    883.256  8482.60    590.103  114.156 7.1802  124.355 4.3812  -10.19959      8.411336  
1 1 1 8   76  14 o 15.390  6.2544  57.453     163.223  357.505    435.617  8.4472     176.049  27.777  10.529  14.780  6.2864  12.99707       12.26276  
1 1 1 8   76  15 o 48.115  3.9938  1277.97    206.248  1148.20    491.073  1305.76    227.264  43.372  10.554  48.549  4.3687  -5.177372      11.42240  
1 1 1 8   76  16 o 35.798  2.1310  699.361    82.251   1337.29    470.869  679.283    83.536   47.049  9.5660  35.270  2.1976  11.77889       9.815194  
1 1 1 8   76  17 o 14.177  6.2592  -42.9598   188.336  224.449    434.395  -104.8614  209.001  25.079  10.199  14.002  6.3539  11.07778       12.01621  
1 1 1 8   76  18 o 22.418  7.2737  289.096    201.943  136.646    446.978  328.195    226.363  23.705  10.047  23.750  7.7005  -0.4462433E-01 12.65838  
1 1 1 8   76  19 o 34.712  6.1596  710.182    223.099  494.399    485.792  767.857    251.150  29.132  11.100  35.872  6.7108  -6.740103      12.97124  
1 1 1 8   76  20 o 29.987  8.2367  565.460    275.720  0.0000     0.0000   565.460    275.720  ?       ?       29.987  8.2367  0.000000       8.236678  
1 1 1 8   76  21 o 21.480  8.4475  216.984    288.019  0.0000     0.0000   216.984    288.019  ?       ?       21.480  8.4475  0.000000       8.447506  
1 1 1 8   76  22 f 45.503  6.4846  1245.25    310.549  0.0000     0.0000   1245.25    310.549  ?       ?       45.503  6.4846  0.000000       6.484614  
1 1 1 8   76  23 f 50.499  6.1225  1525.64    328.025  0.0000     0.0000   1525.64    328.025  ?       ?       50.499  6.1225  0.000000       6.122465  
1 1 1 8   77  0  o 22.174  2.3505  269.775    55.593   239.339    57.997   614.161    195.090  20.834  2.6287  33.046  5.6539  -12.21165      6.235159  
1 1 1 8   77  1  o 81.747  4.5686  3656.42    402.886  3829.45    572.207  3486.31    567.359  83.265  6.3937  79.356  6.6626  3.908470       9.234162  
1 1 1 8   77  2  o 95.643  4.3184  4986.86    447.352  4586.02    628.746  5397.81    636.631  91.143  6.4100  99.038  5.9628  -7.894974      8.754556  
1 1 1 8   77  3  o 130.741 3.1059  9289.82    439.817  9003.90    625.976  9568.58    618.089  128.463 4.4989  132.471 4.3078  -4.007919      6.228787  
1 1 1 8   77  4  o 133.300 3.1551  9659.43    455.531  9762.37    648.838  9559.37    639.695  133.752 4.4789  132.357 4.4623  1.394241       6.322330  
1 1 1 8   77  5  o 38.585  4.3905  822.657    180.220  877.586    264.889  775.317    245.908  39.453  6.4197  37.044  6.3578  2.408257       9.035179  
1 1 1 8   77  6  o 73.068  3.2683  2903.97    258.653  2583.50    376.966  3189.07    355.554  68.517  5.1166  76.327  4.3186  -7.810196      6.695451  
1 1 1 8   77  7  o 64.963  3.3966  2303.09    238.163  2628.86    346.388  2011.01    327.992  69.198  4.6487  60.398  5.0605  8.799103       6.871568  
1 1 1 8   77  8  o 86.451  3.1345  4065.78    293.502  4231.20    430.701  3922.37    401.034  87.861  4.5415  84.619  4.3907  3.242111       6.316915  
1 1 1 8   77  9  o 63.872  3.4640  2228.94    238.739  2292.74    378.598  2186.83    307.606  64.362  5.4832  63.065  4.5336  1.297039       7.114716  
1 1 1 8   77  10 o 36.478  5.1516  744.690    197.876  544.539    327.909  859.316    248.150  30.754  9.1599  39.015  6.0697  -8.260559      10.98842  
1 1 1 8   77  11 o 51.509  6.3260  1491.10    345.505  1705.29    506.433  1304.60    472.560  54.237  8.9319  47.066  9.5954  7.171642       13.10918  
1 1 1 8   77  12 o 57.582  4.1522  1824.46    257.225  1829.73    528.732  1822.83    294.414  56.097  9.0070  57.410  4.7782  -1.312798      10.19592  
1 1 1 8   77  13 f 48.991  1.7182  1302.51    91.170   1361.98    138.110  1256.58    121.372  49.969  2.5605  48.077  2.3308  1.891415       3.462454  
1 1 1 8   77  14 o 43.541  4.1791  1049.41    194.661  1444.00    485.808  973.939    212.463  49.315  9.4391  41.790  4.7799  7.525101       10.58034  
1 1 1 8   77  15 o 54.739  3.6669  1648.32    216.145  1727.39    518.022  1631.66    237.838  53.976  9.1903  54.363  4.0688  -0.3873520     10.05071  
1 1 1 8   77  16 o 27.671  1.6825  417.356    50.186   524.197    458.097  416.059    50.490   30.574  10.930  27.626  1.6956  2.947241       11.06063  
1 1 1 8   77  17 o 30.854  6.2757  557.972    202.580  479.861    463.959  576.371    225.179  29.417  10.925  31.180  6.8546  -1.762980      12.89718  
1 1 1 8   77  18 o 19.457  7.1908  187.013    200.517  -178.8570  449.170  278.073    224.085  20.054  9.1824  22.266  7.6689  -2.211296      11.96360  
1 1 1 8   77  19 o 44.623  5.2607  1141.75    249.370  0.0000     0.0000   1141.75    249.370  ?       ?       44.623  5.2607  0.000000       5.260725  
1 1 1 8   77  20 o 41.833  7.3530  1065.12    320.997  0.0000     0.0000   1065.12    320.997  ?       ?       41.833  7.3530  0.000000       7.352993  
1 1 1 8   77  21 o 46.272  6.9168  1294.84    336.015  0.0000     0.0000   1294.84    336.015  ?       ?       46.272  6.9168  0.000000       6.916801  
1 1 1 8   77  22 o 22.642  8.0443  303.516    247.777  0.0000     0.0000   303.516    247.777  ?       ?       22.642  8.0443  0.000000       8.044300  
1 1 1 8   77  23 o 19.908  7.9232  182.345    256.185  0.0000     0.0000   182.345    256.185  ?       ?       19.908  7.9232  0.000000       7.923175  
1 1 1 8   78  0  o 102.942 3.9461  5772.00    439.984  5397.83    626.635  6135.83    617.918  99.040  5.8678  105.736 5.4137  -6.696609      7.983711  
1 1 1 8   78  1  o 135.144 3.6972  9941.46    541.179  9938.56    658.326  9947.52    950.418  134.958 4.5037  134.463 6.5259  0.4952698      7.929150  
1 1 1 8   78  2  o 70.429  4.7764  2721.66    362.196  2664.61    516.963  2776.67    507.610  69.171  6.9965  70.701  6.7092  -1.529915      9.693516  
1 1 1 8   78  3  o 76.640  4.2181  3212.32    348.794  3184.46    466.765  3247.55    524.872  75.997  5.7124  76.582  6.3861  -0.5853500     8.568213  
1 1 1 8   78  4  o 20.301  6.2179  227.168    149.589  208.610    238.714  239.167    191.951  21.461  7.8596  21.339  7.0997  0.1218071      10.59150  
1 1 1 8   78  5  f 134.500 3.1199  9836.22    454.499  10350.95   645.338  9329.64    640.208  137.720 4.3263  130.702 4.5224  7.017166       6.258532  
1 1 1 8   78  6  o 82.815  3.0228  3728.83    271.140  3539.40    394.362  3898.65    373.396  80.358  4.5497  84.543  4.0778  -4.184471      6.109637  
1 1 1 8   78  7  o 74.649  3.2136  3032.07    259.829  3222.20    386.151  2874.77    351.235  76.614  4.6759  72.387  4.5022  4.227066       6.491031  
1 1 1 8   78  8  o 116.457 3.1506  7380.55    397.401  7291.31    575.143  7462.09    549.737  115.434 4.6001  116.843 4.3439  -1.409241      6.326988  
1 1 1 8   78  9  o 55.122  3.9439  1667.20    233.905  1827.39    377.392  1567.27    298.058  57.201  6.1902  53.166  5.2444  4.035374       8.113046  
1 1 1 8   78  10 o 74.593  3.8447  3046.74    309.566  3292.71    589.554  2953.11    363.747  76.537  7.1964  73.259  4.6077  3.277412       8.545087  
1 1 1 8   78  11 f 34.385  1.4611  641.125    54.415   18.796     461.253  649.908    54.798   23.466  10.083  34.619  1.4614  -11.15326      10.18792  
1 1 1 8   78  12 o 41.644  5.3310  971.813    234.931  1117.14    484.049  927.032    268.701  43.047  10.480  40.377  6.3541  2.669308       12.25597  
1 1 1 8   78  13 o 53.998  1.9296  1583.36    112.855  1093.02    498.102  1609.89    115.868  42.368  10.817  54.446  1.9648  -12.07858      10.99414  
1 1 1 8   78  14 o 66.169  3.3454  2398.04    238.980  2709.11    559.113  2328.51    264.343  68.797  7.6321  65.102  3.7650  3.694290       8.510210  
1 1 1 8   78  15 o 105.367 3.1386  6066.57    358.185  5794.57    766.352  6142.59    405.162  100.956 7.0528  105.899 3.5324  -4.942940      7.887985  
1 1 1 8   78  16 o 106.608 3.0104  6217.04    347.610  5730.08    776.423  6339.12    388.748  99.781  7.2333  107.527 3.3380  -7.745468      7.966359  
1 1 1 8   78  17 o 63.850  3.6166  2254.32    249.078  2734.49    552.049  2131.59    279.102  68.070  7.6184  61.863  4.1902  6.206711       8.694719  
1 1 1 8   78  18 o 57.197  3.9918  1824.86    245.745  1877.30    533.505  1810.74    276.866  54.726  9.3356  56.733  4.5439  -2.006886      10.38271  
1 1 1 8   78  19 o 44.386  6.2222  1155.65    290.914  0.0000     0.0000   1155.65    290.914  ?       ?       44.386  6.2222  0.000000       6.222232  
1 1 1 8   78  20 o 80.026  4.9152  3641.37    423.966  0.0000     0.0000   3641.37    423.966  ?       ?       80.026  4.9152  0.000000       4.915156  
1 1 1 8   78  21 o 45.100  7.2192  1245.22    340.751  0.0000     0.0000   1245.22    340.751  ?       ?       45.100  7.2192  0.000000       7.219223  
1 1 1 8   78  22 o 65.874  5.1337  2510.31    363.384  0.0000     0.0000   2510.31    363.384  ?       ?       65.874  5.1337  0.000000       5.133655  
1 1 1 8   78  23 o 37.263  7.8866  889.452    308.374  0.0000     0.0000   889.452    308.374  ?       ?       37.263  7.8866  0.000000       7.886562  
1 1 1 8   79  0  o 96.068  4.0678  5030.06    423.263  4969.12    624.377  5081.87    575.745  94.920  6.1056  96.144  5.5525  -1.224144      8.252838  
1 1 1 8   79  1  o 93.434  3.9597  4756.61    400.721  4557.45    578.560  4940.25    555.550  90.935  5.9061  94.817  5.4323  -3.881210      8.024468  
1 1 1 8   79  2  o 90.220  3.5367  4429.88    345.599  4472.45    418.973  4339.24    611.333  90.550  4.2720  88.573  6.4159  1.977013       7.708044  
1 1 1 8   79  3  o 110.342 4.4891  6647.60    536.504  7101.76    772.613  6224.67    745.572  113.432 6.3136  106.108 6.5189  7.323990       9.075152  
1 1 1 8   79  4  o 54.327  5.5922  1635.70    324.353  1832.63    432.204  1381.80    490.764  57.151  7.1379  48.801  9.6268  8.349358       11.98435  
1 1 1 8   79  5  o 128.331 3.6658  8970.89    509.528  7624.13    909.057  9587.81    615.258  117.132 7.2004  132.529 4.2862  -15.39701      8.379577  
1 1 1 8   79  6  o 130.393 3.1691  9250.40    447.571  9454.60    640.521  9055.57    625.662  131.518 4.4965  128.715 4.4879  2.802917       6.352943  
1 1 1 8   79  7  o 27.595  6.1945  436.199    180.604  499.500    275.453  388.467    239.194  29.457  8.2858  26.207  7.8274  3.250372       11.39835  
1 1 1 8   79  8  o 83.939  3.1794  3835.67    289.050  3873.71    425.190  3802.98    394.130  83.969  4.6939  83.272  4.3853  0.6968536      6.423728  
1 1 1 8   79  9  o 118.448 3.6285  7654.25    465.505  7965.24    849.474  7520.78    556.503  119.661 6.5796  117.213 4.3835  2.447617       7.906082  
1 1 1 8   79  10 o 28.465  1.4964  440.604    45.974   443.850    46.258   178.829    415.447  28.570  1.5001  24.676  9.9960  3.893724       10.10791  
1 1 1 8   79  11 o 17.650  2.5590  172.917    47.494   166.399    47.804   670.620    417.714  17.295  2.6352  33.820  10.396  -16.52516      10.72458  
1 1 1 8   79  12 o 49.115  3.9028  1328.44    205.906  1481.83    505.040  1297.86    225.498  49.974  9.6802  48.447  4.3435  1.526943       10.61004  
1 1 1 8   79  13 o 82.155  3.0939  3681.47    275.305  3346.92    629.282  3760.66    306.159  76.602  7.6884  82.972  3.4068  -6.369469      8.409361  
1 1 1 8   79  14 o 15.579  6.3370  59.816     167.762  -446.8113  454.694  139.650    180.497  18.425  8.6993  18.026  6.7905  0.3982716      11.03574  
1 1 1 8   79  15 o 15.773  6.4038  65.181     170.913  503.632    454.463  -7.0461    184.454  30.162  10.875  14.722  6.3510  15.44019       12.59386  
1 1 1 8   79  16 o 30.524  5.7118  539.905    181.897  591.909    472.156  530.841    197.111  31.480  11.113  30.092  6.2520  1.388056       12.75099  
1 1 1 8   79  17 o 13.653  6.1237  -66.1953   187.695  -80.0430   447.428  -63.2380   206.767  21.054  9.4482  14.440  6.4556  6.613360       11.44299  
1 1 1 8   79  18 o 25.170  7.7198  382.550    230.488  0.0000     0.0000   382.550    230.488  ?       ?       25.170  7.7198  0.000000       7.719769  
1 1 1 8   79  19 o 52.465  5.5773  1588.71    312.070  0.0000     0.0000   1588.71    312.070  ?       ?       52.465  5.5773  0.000000       5.577331  
1 1 1 8   79  20 o 29.927  8.8942  579.656    309.406  0.0000     0.0000   579.656    309.406  ?       ?       29.927  8.8942  0.000000       8.894182  
1 1 1 8   79  21 o 57.417  6.0187  1944.25    368.729  0.0000     0.0000   1944.25    368.729  ?       ?       57.417  6.0187  0.000000       6.018719  
1 1 1 8   79  22 o 32.012  8.3349  668.789    291.825  0.0000     0.0000   668.789    291.825  ?       ?       32.012  8.3349  0.000000       8.334902  
1 1 1 8   80  0  o 93.015  4.1381  4718.10    416.897  4695.88    606.630  4737.98    573.893  92.227  6.1074  92.744  5.7414  -0.5163956     8.382388  
1 1 1 8   80  1  o 49.823  4.3553  1364.89    232.668  1231.98    317.405  1519.26    342.060  46.887  6.4186  52.213  6.1677  -5.325798      8.901644  
1 1 1 8   80  2  o 40.931  5.3681  933.299    232.242  1326.98    380.903  700.348    293.004  48.404  7.5087  34.839  7.9415  13.56482       10.92917  
1 1 1 8   80  3  o 167.927 5.1247  15443.02   932.100  14963.13   1327.36  15909.87   1309.20  164.279 7.4600  169.568 7.1284  -5.288818      10.31820  
1 1 1 8   80  4  o 136.900 4.7168  10250.40   699.394  9884.75    1002.69  10596.86   976.034  133.498 6.9587  138.583 6.5026  -5.085144      9.524036  
1 1 1 8   80  5  o 65.197  5.2946  2346.71    370.649  2244.45    532.021  2443.16    516.669  62.997  7.9758  65.964  7.3569  -2.967194      10.85072  
1 1 1 8   80  6  o 81.681  4.7929  3665.89    422.167  3575.36    608.725  3749.79    585.992  79.981  7.1008  82.077  6.6489  -2.095764      9.727748  
1 1 1 8   80  7  o 194.937 5.5825  20911.47   1178.67  21373.96   1675.27  20458.13   1658.62  195.521 7.9108  191.211 8.0087  4.309464       11.25704  
1 1 1 8   80  8  o 186.417 5.8940  19181.98   1190.04  17312.42   1915.65  20356.89   1518.62  173.577 10.235  191.050 7.3389  -17.47296      12.59403  
1 1 1 8   80  9  o 111.588 4.6380  6828.55    560.558  6788.24    812.675  6865.14    774.219  110.259 6.8388  111.061 6.4642  -0.8021164     9.410351  
1 1 1 8   80  10 o 26.555  9.0379  378.847    311.035  224.997    464.640  503.766    418.681  26.322  10.603  30.424  10.482  -4.101858      14.91000  
1 1 1 8   80  11 o 81.323  4.9637  3654.61    435.119  3988.55    635.451  3359.81    597.045  84.144  7.0371  77.097  7.2345  7.046928       10.09253  
1 1 1 8   80  12 o 100.755 3.1153  5536.09    339.971  4375.57    742.676  5843.74    382.388  87.623  7.9107  103.445 3.4129  -15.82137      8.615557  
1 1 1 8   80  13 o 52.129  3.8156  1496.49    213.932  1445.36    520.537  1506.89    234.667  48.925  10.156  52.223  4.1839  -3.298191      10.98373  
1 1 1 8   80  14 o 94.356  3.1299  4865.03    319.868  4799.06    699.075  4882.50    359.734  91.797  7.0860  94.413  3.5178  -2.616379      7.911141  
1 1 1 8   80  15 o 81.238  2.7226  3603.73    239.559  3172.48    631.625  3676.19    258.903  73.563  8.0593  82.001  2.9151  -8.438103      8.570328  
1 1 1 8   80  16 o 19.913  7.0099  209.353    187.736  461.463    463.419  159.855    205.340  28.893  10.881  18.954  7.2181  9.939220       13.05763  
1 1 1 8   80  17 o 48.640  4.3280  1327.62    225.626  1125.25    517.972  1375.01    250.656  40.930  11.309  49.335  4.7496  -8.405102      12.26567  
1 1 1 8   80  18 o 37.549  7.2330  851.741    283.493  0.0000     0.0000   851.741    283.493  ?       ?       37.549  7.2330  0.000000       7.232955  
1 1 1 8   80  19 o 23.985  8.2472  339.465    259.103  0.0000     0.0000   339.465    259.103  ?       ?       23.985  8.2472  0.000000       8.247208  
1 1 1 8   80  20 o 74.508  5.0978  3180.24    408.918  0.0000     0.0000   3180.24    408.918  ?       ?       74.508  5.0978  0.000000       5.097781  
1 1 1 8   80  21 o 51.447  6.5692  1591.63    357.694  0.0000     0.0000   1591.63    357.694  ?       ?       51.447  6.5692  0.000000       6.569240  
1 1 1 8   80  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   81  0  o 120.513 3.1116  7898.12    406.155  8331.30    575.786  7469.12    573.003  123.538 4.3032  116.923 4.5247  6.615959       6.244203  
1 1 1 8   81  1  o 104.603 4.0991  5969.21    464.413  6122.52    659.769  5818.65    653.828  105.399 5.8018  102.712 5.9021  2.687759       8.276148  
1 1 1 8   81  2  o 95.417  4.0724  4967.10    420.870  4915.98    608.357  5014.02    582.862  94.344  5.9845  95.378  5.6677  -1.034653      8.242380  
1 1 1 8   81  3  o 78.946  4.0860  3409.95    348.185  3468.48    514.088  3360.34    473.259  79.151  6.0423  78.011  5.6391  1.139641       8.264917  
1 1 1 8   81  4  o 75.437  6.5890  3167.57    532.953  0.0000     0.0000   3167.57    532.953  ?       ?       75.437  6.5890  0.000000       6.588965  
1 1 1 8   81  5  f 153.213 4.8147  12857.72   798.980  12592.87   1127.35  13125.00   1132.52  150.730 6.9054  153.939 6.7925  -3.208984      9.686172  
1 1 1 8   81  6  o 41.715  7.3469  994.985    319.818  709.179    463.750  1254.19    441.643  35.058  10.983  46.410  9.1112  -11.35218      14.27033  
1 1 1 8   81  7  o 113.375 4.3448  7033.30    533.531  7183.42    725.207  6856.18    787.716  113.944 5.8964  111.023 6.5800  2.920822       8.835416  
1 1 1 8   81  8  o 44.681  6.9808  1135.69    326.774  1186.04    483.469  1093.33    443.385  44.658  10.217  42.984  9.7479  1.673954       14.12109  
1 1 1 8   81  9  f 26.020  8.9701  357.595    306.615  113.473    468.820  540.062    405.316  24.851  10.397  31.054  10.316  -6.202084      14.64611  
1 1 1 8   81  10 o 103.493 4.3088  5872.19    482.992  4774.83    767.284  6592.39    621.599  91.769  7.7932  109.332 5.2492  -17.56339      9.396184  
1 1 1 8   81  11 o 39.775  5.5914  891.383    234.226  1167.10    495.954  812.232    265.727  43.934  10.554  37.604  6.7734  6.329796       12.54099  
1 1 1 8   81  12 o 34.768  1.3724  655.564    51.680   382.344    478.564  658.788    51.984   28.786  11.006  34.853  1.3771  -6.066584      11.09167  
1 1 1 8   81  13 o 19.190  1.6805  201.439    34.577   203.259    35.214   152.515    182.609  19.274  1.7044  18.428  6.8518  0.8466930      7.060637  
1 1 1 8   81  14 o 47.104  4.0853  1230.87    206.361  1912.60    515.576  1100.82    225.185  56.785  8.6566  44.334  4.7643  12.45086       9.880995  
1 1 1 8   81  15 o 52.573  1.7944  1502.82    102.174  1352.70    156.065  1615.43    135.169  49.632  2.9160  54.438  2.2925  -4.805855      3.709208  
1 1 1 8   81  16 o 43.543  4.4739  1066.85    207.995  1128.78    513.034  1054.67    227.533  41.241  11.197  43.108  4.9639  -1.866951      12.24828  
1 1 1 8   81  17 o 15.384  6.7097  -13.1405   210.544  0.0000     0.0000   -13.1405   210.544  ?       ?       15.384  6.7097  0.000000       6.709731  
1 1 1 8   81  18 o 40.787  6.8267  993.494    290.922  0.0000     0.0000   993.494    290.922  ?       ?       40.787  6.8267  0.000000       6.826734  
1 1 1 8   81  19 f 41.820  6.6347  1046.01    290.485  0.0000     0.0000   1046.01    290.485  ?       ?       41.820  6.6347  0.000000       6.634726  
1 1 1 8   81  20 o 26.512  9.0286  443.707    310.396  0.0000     0.0000   443.707    310.396  ?       ?       26.512  9.0286  0.000000       9.028598  
1 1 1 8   81  21 o 24.832  9.0628  373.598    317.002  0.0000     0.0000   373.598    317.002  ?       ?       24.832  9.0628  0.000000       9.062831  
1 1 1 8   82  0  o 96.269  2.8960  5038.32    301.959  4866.29    401.722  5261.75    457.827  94.458  3.9266  98.151  4.3066  -3.692848      5.827951  
1 1 1 8   82  1  o 52.369  2.3086  1488.88    130.943  1424.54    147.846  1723.02    282.015  51.133  2.6789  55.927  4.6992  -4.794044      5.409142  
1 1 1 8   82  2  f 198.289 4.8603  21531.45   1043.83  21487.00   1338.19  21600.52   1668.13  197.365 6.2601  196.880 7.8227  0.4851990      10.01915  
1 1 1 8   82  3  o 97.553  4.0588  5194.92    428.854  5645.02    625.073  4794.62    589.472  101.140 5.7296  93.141  5.8733  7.998970       8.205174  
1 1 1 8   82  4  o 15.277  6.5109  3.0681     189.553  112.108    344.748  -44.1799   226.934  22.073  9.0433  15.851  6.9383  6.222171       11.39833  
1 1 1 8   82  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   82  6  o 18.618  7.7735  48.852     261.355  -195.8331  425.709  196.863    331.097  20.171  9.1190  23.192  9.0764  -3.021046      12.86608  
1 1 1 8   82  7  o 68.071  5.1849  2562.17    379.400  2428.84    553.114  2680.65    521.396  65.355  7.9796  69.041  7.0724  -3.686249      10.66267  
1 1 1 8   82  8  o 37.776  7.9553  830.318    315.207  899.204    467.749  773.012    426.625  38.758  10.761  36.104  10.365  2.654137       14.94099  
1 1 1 8   82  9  o 25.625  8.9718  341.313    307.301  330.404    472.602  349.304    404.483  28.050  10.881  27.274  10.186  0.7761879      14.90493  
1 1 1 8   82  10 o 22.804  7.0923  291.145    193.774  424.405    348.208  231.364    233.222  27.958  9.5625  21.727  7.7954  6.230925       12.33732  
1 1 1 8   82  11 o 60.123  4.2397  1992.90    274.316  1811.93    549.458  2052.98    316.594  55.400  9.4989  60.865  4.8426  -5.464119      10.66201  
1 1 1 8   82  12 o 69.298  3.3018  2624.16    247.823  2710.97    583.982  2605.09    273.689  68.561  8.0154  68.876  3.6821  -0.3148499     8.820692  
1 1 1 8   82  13 o 22.912  6.8610  301.634    183.603  314.109    475.996  299.453    199.003  27.367  10.829  22.962  7.1949  4.404539       13.00116  
1 1 1 8   82  14 o 107.117 3.1785  6285.84    368.766  6146.98    795.127  6323.89    416.238  103.349 7.1472  107.274 3.5824  -3.925690      7.994768  
1 1 1 8   82  15 o 61.529  3.4179  2089.27    226.877  2269.09    567.250  2055.03    247.538  61.112  8.8256  60.898  3.7715  0.2149048      9.597693  
1 1 1 8   82  16 o 39.112  4.9127  870.081    203.521  617.380    508.322  918.324    222.100  31.606  11.485  40.067  5.2437  -8.461496      12.62567  
1 1 1 8   82  17 o 63.717  4.0824  2266.66    280.254  0.0000     0.0000   2266.66    280.254  ?       ?       63.717  4.0824  0.000000       4.082433  
1 1 1 8   82  18 o 29.100  8.3001  531.722    274.417  0.0000     0.0000   531.722    274.417  ?       ?       29.100  8.3001  0.000000       8.300078  
1 1 1 8   82  19 o 20.525  7.8800  205.591    245.965  0.0000     0.0000   205.591    245.965  ?       ?       20.525  7.8800  0.000000       7.880012  
1 1 1 8   82  20 o 25.572  8.9954  405.517    309.086  0.0000     0.0000   405.517    309.086  ?       ?       25.572  8.9954  0.000000       8.995365  
1 1 1 8   82  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   83  0  o 47.763  3.9058  1252.80    200.285  1214.60    294.276  1285.76    273.370  46.593  5.9685  48.108  5.3363  -1.515026      8.006221  
1 1 1 8   83  1  o 17.711  6.1935  154.672    146.423  145.794    224.788  161.215    192.980  19.554  7.5268  19.092  7.0546  0.4616833      10.31600  
1 1 1 8   83  2  o 52.766  3.4688  1523.44    197.139  1600.67    298.142  1463.44    262.786  53.763  5.1843  51.476  4.7675  2.287231       7.043107  
1 1 1 8   83  3  o 39.827  4.4309  878.122    187.893  833.390    296.876  908.014    242.683  38.069  7.4669  40.223  5.7327  -2.154503      9.413726  
1 1 1 8   83  4  o 43.780  5.3153  1068.33    246.876  1033.47    407.030  1088.62    310.513  41.996  9.2027  43.832  6.7578  -1.836048      11.41740  
1 1 1 8   83  5  o 68.614  4.1930  2583.59    310.112  2665.52    467.101  2519.02    414.692  69.134  6.3075  67.361  5.7386  1.772789       8.527363  
1 1 1 8   83  6  o 69.878  4.0983  2678.87    308.825  2778.98    450.050  2589.78    424.554  70.686  5.9332  68.263  5.7970  2.423576       8.295094  
1 1 1 8   83  7  o 85.622  3.1264  3993.90    289.936  3851.77    428.907  4113.50    393.448  83.630  4.7548  86.690  4.1903  -3.059937      6.337720  
1 1 1 8   83  8  o 37.977  2.0433  785.423    83.739   773.786    88.922   876.600    248.909  37.679  2.1884  39.354  6.0319  -1.674927      6.416631  
1 1 1 8   83  9  o 38.308  5.2943  823.999    213.794  1116.36    355.814  658.809    267.458  43.947  7.7588  33.623  7.5313  10.32398       10.81292  
1 1 1 8   83  10 o 31.744  6.3530  579.951    210.805  948.818    345.020  360.219    266.291  40.250  8.1928  25.503  8.3564  14.74731       11.70259  
1 1 1 8   83  11 o 22.748  7.5281  282.650    215.921  246.736    480.093  291.757    241.751  26.679  10.767  23.353  7.9679  3.325739       13.39469  
1 1 1 8   83  12 o 20.467  6.6604  230.199    169.277  134.152    481.693  243.732    180.809  25.003  10.504  21.059  6.8850  3.943863       12.55919  
1 1 1 8   83  13 o 35.826  5.0606  726.964    190.901  1031.51    504.236  676.008    206.253  40.301  11.167  34.310  5.7540  5.991184       12.56181  
1 1 1 8   83  14 o 52.884  2.5328  1526.98    145.078  2154.19    555.592  1481.08    150.292  59.699  8.8614  51.992  2.6780  7.707413       9.257250  
1 1 1 8   83  15 o 30.820  6.2021  559.586    199.863  592.734    502.167  553.347    217.862  31.260  11.407  30.440  6.7817  0.8201675      13.27064  
1 1 1 8   83  16 o 15.724  6.5141  54.840     181.496  511.865    481.392  -20.8892   195.957  29.592  11.101  14.736  6.4489  14.85651       12.83809  
1 1 1 8   83  17 o 16.723  7.1455  29.899     229.381  0.0000     0.0000   29.899     229.381  ?       ?       16.723  7.1455  0.000000       7.145538  
1 1 1 8   83  18 o 42.828  6.6566  1094.06    298.756  0.0000     0.0000   1094.06    298.756  ?       ?       42.828  6.6566  0.000000       6.656646  
1 1 1 8   83  19 o 23.071  8.1306  310.979    252.628  0.0000     0.0000   310.979    252.628  ?       ?       23.071  8.1306  0.000000       8.130602  
1 1 1 8   83  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   84  0  o 122.827 3.1589  8212.43    420.239  8208.04    602.326  8216.60    586.602  122.457 4.5413  122.556 4.4192  -0.9828186E-01 6.336564  
1 1 1 8   84  1  o 135.256 3.2874  9963.34    481.589  9715.97    683.014  10207.92   679.143  133.164 4.7356  136.540 4.5923  -3.376907      6.596581  
1 1 1 8   84  2  o 82.219  2.6834  3674.91    238.962  3691.02    308.466  3650.72    377.892  82.295  3.4607  81.596  4.2910  0.6986237      5.512606  
1 1 1 8   84  3  o 88.373  3.0506  4250.85    291.999  4201.43    423.524  4295.64    403.127  87.492  4.4844  88.638  4.1990  -1.146393      6.143419  
1 1 1 8   84  4  o 165.030 3.5641  14854.12   637.060  14562.12   910.968  15133.61   891.233  162.768 5.1673  166.029 4.9561  -3.261185      7.159871  
1 1 1 8   84  5  o 127.699 4.3920  8930.74    607.458  8848.42    873.615  9007.80    845.240  126.163 6.4143  127.581 6.1168  -1.418190      8.863338  
1 1 1 8   84  6  o 108.170 4.1470  6403.26    485.861  6412.04    696.179  6394.93    678.390  107.475 6.0046  107.396 5.8541  0.7933807E-01  8.386057  
1 1 1 8   84  7  o 94.684  4.1732  4908.83    427.969  5155.57    639.002  4708.13    576.320  96.231  6.1632  92.086  5.8081  4.145042       8.468684  
1 1 1 8   84  8  o 33.841  5.9391  651.930    209.749  521.534    420.799  695.039    241.948  30.754  10.512  34.779  6.6656  -4.025398      12.44730  
1 1 1 8   84  9  o 29.434  6.2598  499.303    193.423  521.371    334.241  488.192    237.169  30.030  9.3106  28.923  7.5058  1.107441       11.95930  
1 1 1 8   84  10 o 46.043  4.6594  1178.64    229.161  1067.50    373.479  1245.74    290.214  42.605  8.3921  47.018  5.8234  -4.413273      10.21461  
1 1 1 8   84  11 o 35.438  5.9096  717.661    218.839  574.833    346.081  812.818    282.484  31.133  9.4416  37.335  7.2471  -6.201641      11.90230  
1 1 1 8   84  12 o 68.029  4.2087  2560.68    308.588  2446.17    593.486  2603.10    361.263  64.303  8.7485  68.332  4.9140  -4.029434      10.03413  
1 1 1 8   84  13 o 48.982  4.1455  1334.92    217.863  923.595    535.552  1416.49    238.489  37.778  11.798  50.378  4.4153  -12.59999      12.59668  
1 1 1 8   84  14 o 13.021  2.1825  94.881     29.690   -88.6120   484.829  95.572     29.746   21.901  9.8313  13.070  2.1779  8.830871       10.06968  
1 1 1 8   84  15 o 53.083  3.9665  1569.30    226.402  1248.39    551.966  1634.21    248.246  43.126  11.575  54.056  4.2749  -10.93031      12.33906  
1 1 1 8   84  16 o 39.279  5.4316  888.859    224.896  0.0000     0.0000   888.859    224.896  ?       ?       39.279  5.4316  0.000000       5.431603  
1 1 1 8   84  17 o 54.501  5.1294  1695.18    299.227  0.0000     0.0000   1695.18    299.227  ?       ?       54.501  5.1294  0.000000       5.129374  
1 1 1 8   84  18 f 23.298  8.3203  311.452    265.396  0.0000     0.0000   311.452    265.396  ?       ?       23.298  8.3203  0.000000       8.320279  
1 1 1 8   84  19 f 62.006  5.3167  2219.11    353.606  0.0000     0.0000   2219.11    353.606  ?       ?       62.006  5.3167  0.000000       5.316669  
1 1 1 8   84  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   85  0  o 69.015  3.1526  2593.41    235.659  2659.12    340.299  2532.87    326.664  69.539  4.5432  67.878  4.4683  1.660858       6.372254  
1 1 1 8   85  1  o 42.351  3.9423  987.914    178.760  1056.91    245.515  910.067    260.785  43.531  5.3178  40.131  6.1995  3.399544       8.167792  
1 1 1 8   85  2  o 21.293  6.5319  252.272    165.005  132.111    247.522  348.379    221.366  19.834  7.8213  24.859  7.5539  -5.024584      10.87358  
1 1 1 8   85  3  o 30.903  5.3791  540.263    173.502  169.962    265.911  814.786    228.954  21.106  8.1689  38.029  5.7371  -16.92257      9.982202  
1 1 1 8   85  4  o 105.662 2.8990  6076.40    331.767  6074.36    460.103  6078.60    478.837  105.399 4.0304  105.394 4.1947  0.5203247E-02  5.817164  
1 1 1 8   85  5  o 133.229 3.2199  9673.77    464.629  9519.97    667.290  9818.50    647.334  131.703 4.6779  133.830 4.4658  -2.127792      6.467337  
1 1 1 8   85  6  o 83.890  3.5321  3841.31    320.932  3842.16    414.488  3840.04    507.134  83.550  4.5980  83.184  5.6624  0.3658371      7.294151  
1 1 1 8   85  7  o 74.560  4.3105  3056.96    346.614  3177.24    533.809  2969.28    455.763  75.261  6.6157  73.029  5.8100  2.231888       8.804807  
1 1 1 8   85  8  o 87.948  4.2242  4240.99    402.382  4865.28    615.914  3776.13    531.485  93.386  6.1232  82.272  6.0059  11.11376       8.577011  
1 1 1 8   85  9  o 27.531  7.9777  440.749    251.658  289.129    499.110  492.435    291.412  27.677  11.045  29.054  8.6310  -1.377224      14.01747  
1 1 1 8   85  10 o 37.817  5.2601  806.556    209.618  1064.71    354.094  667.279    260.088  42.622  7.9632  33.750  7.3253  8.871876       10.82004  
1 1 1 8   85  11 o 62.710  3.7773  2166.83    255.366  1661.02    407.983  2492.64    327.440  53.636  7.2051  67.029  4.5369  -13.39334      8.514564  
1 1 1 8   85  12 o 15.305  6.6931  -27.0549   210.722  -217.4827  449.618  26.546     238.542  20.053  9.1835  17.197  7.3160  2.855448       11.74143  
1 1 1 8   85  13 o 52.728  2.2952  1516.11    131.082  1888.94    552.866  1493.90    134.929  55.288  9.5796  52.327  2.3807  2.960770       9.870970  
1 1 1 8   85  14 o 41.829  4.9254  991.799    218.871  349.232    526.900  1125.80    240.613  27.829  11.263  44.538  5.0788  -16.70841      12.35496  
1 1 1 8   85  15 o 42.083  2.2561  969.168    102.459  934.819    113.404  1121.80    239.048  41.268  2.5496  44.406  5.0606  -3.138103      5.666585  
1 1 1 8   85  16 o 48.890  5.3528  1369.18    278.813  0.0000     0.0000   1369.18    278.813  ?       ?       48.890  5.3528  0.000000       5.352792  
1 1 1 8   85  17 o 24.565  8.0217  363.982    245.464  0.0000     0.0000   363.982    245.464  ?       ?       24.565  8.0217  0.000000       8.021672  
1 1 1 8   85  18 o 38.795  6.9346  911.852    280.690  0.0000     0.0000   911.852    280.690  ?       ?       38.795  6.9346  0.000000       6.934566  
1 1 1 8   85  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   86  0  o 108.888 3.0689  6456.13    361.943  6671.17    517.070  6249.54    506.813  110.391 4.3246  106.831 4.3801  3.560196       6.155255  
1 1 1 8   86  1  o 59.032  3.4023  1906.21    216.618  1743.86    309.509  2062.08    303.275  56.086  5.1527  61.159  4.6123  -5.073452      6.915440  
1 1 1 8   86  2  o 66.018  2.5372  2369.33    181.421  2312.32    218.835  2494.63    324.429  65.157  3.1009  67.327  4.4744  -2.169937      5.443881  
1 1 1 8   86  3  f 104.856 3.0384  5987.57    345.072  6003.20    497.761  5973.11    478.801  104.677 4.3903  104.457 4.2320  0.2200012      6.097935  
1 1 1 8   86  4  o 15.197  6.2152  49.101     162.478  169.160    254.414  -33.5933   211.146  20.777  8.0046  15.392  6.7162  5.384916       10.44895  
1 1 1 8   86  5  o 75.540  2.6134  3103.60    213.819  3053.78    272.807  3182.97    344.290  74.825  3.3662  76.132  4.1915  -1.306152      5.375829  
1 1 1 8   86  6  o 92.889  3.0758  4701.65    309.453  4773.13    453.140  4639.18    423.616  93.269  4.4856  92.012  4.2507  1.257011       6.179711  
1 1 1 8   86  7  o 84.784  3.1681  3920.14    290.929  3969.50    431.587  3879.03    393.867  84.832  4.7158  83.973  4.3454  0.8596497      6.412587  
1 1 1 8   86  8  o 79.662  4.3481  3495.92    373.746  3909.78    581.480  3204.59    487.870  83.419  6.4867  75.680  6.0011  7.739395       8.836882  
1 1 1 8   86  9  o 163.168 5.1576  14736.99   911.487  14546.38   1334.83  14903.53   1247.65  159.995 7.7029  162.534 7.0873  -2.539322      10.46726  
1 1 1 8   86  10 o 105.556 4.6238  6156.62    528.633  5830.01    804.010  6405.32    701.609  100.930 7.4065  106.732 6.0944  -5.802139      9.591570  
1 1 1 8   86  11 f 39.290  6.1991  889.271    255.059  1458.00    556.468  738.011    286.979  48.076  10.934  35.176  7.7422  12.90032       13.39719  
1 1 1 8   86  12 o 65.510  4.2505  2386.32    299.961  1792.89    565.034  2619.19    353.957  53.592  10.105  68.400  4.8083  -14.80755      11.19055  
1 1 1 8   86  13 o 53.482  3.9774  1590.57    228.752  1369.76    544.309  1637.94    252.095  45.826  11.087  54.146  4.3350  -8.319759      11.90420  
1 1 1 8   86  14 o 61.682  3.7852  2110.60    251.660  1740.44    586.943  2193.99    278.565  51.838  10.804  62.757  4.1211  -10.91889      11.56352  
1 1 1 8   86  15 o 24.972  7.2613  375.501    208.166  0.0000     0.0000   375.501    208.166  ?       ?       24.972  7.2613  0.000000       7.261290  
1 1 1 8   86  16 o 21.974  7.4616  276.633    211.996  0.0000     0.0000   276.633    211.996  ?       ?       21.974  7.4616  0.000000       7.461612  
1 1 1 8   86  17 o 37.620  6.2761  839.985    246.723  0.0000     0.0000   839.985    246.723  ?       ?       37.620  6.2761  0.000000       6.276137  
1 1 1 8   86  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   86  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   87  0  o 19.235  6.6718  187.010    169.745  65.130     246.389  297.117    234.186  18.425  7.6077  23.524  7.8427  -5.098969      10.92640  
1 1 1 8   87  1  o 63.664  3.2946  2215.26    226.401  2150.34    323.490  2277.58    316.969  62.395  4.8242  64.286  4.5823  -1.890285      6.653603  
1 1 1 8   87  2  o 87.135  3.0783  4135.68    290.515  3856.41    417.862  4396.96    404.181  83.716  4.6264  89.631  4.1634  -5.915680      6.223946  
1 1 1 8   87  3  o 106.457 3.0841  6173.69    355.604  6299.98    511.991  6055.99    494.276  107.212 4.4091  105.134 4.3406  2.077225       6.187195  
1 1 1 8   87  4  o 59.107  2.4815  1899.40    158.864  1828.21    188.955  2071.07    293.417  57.856  3.0259  61.300  4.4497  -3.444008      5.381028  
1 1 1 8   87  5  o 20.302  6.6893  221.303    170.554  376.145    268.118  116.062    221.041  25.974  8.3764  18.682  7.3834  7.292015       11.16597  
1 1 1 8   87  6  o 10.778  5.1162  -194.2061  161.334  -188.5477  256.180  -197.9252  207.694  14.818  6.8392  12.803  5.9927  2.014902       9.093253  
1 1 1 8   87  7  o 74.985  3.2664  3069.69    265.289  2955.28    398.759  3160.54    355.335  72.996  5.0752  75.732  4.3502  -2.736801      6.684488  
1 1 1 8   87  8  o 86.708  3.2644  4107.56    306.570  3934.55    464.477  4241.11    408.088  84.182  5.1185  87.828  4.2900  -3.645531      6.678516  
1 1 1 8   87  9  o 124.917 3.8274  8566.69    517.848  8624.30    655.164  8470.79    845.357  124.827 4.8458  122.594 6.3886  2.233444       8.018511  
1 1 1 8   87  10 o 50.399  6.3397  1453.57    338.408  1538.77    620.470  1417.50    403.746  48.947  11.834  49.082  7.8600  -0.1355972     14.20652  
1 1 1 8   87  11 o 20.415  8.0552  161.210    262.693  -15.8322   597.372  203.654    292.491  25.035  11.095  21.922  8.5443  3.113008       14.00403  
1 1 1 8   87  12 o 50.346  7.3804  1495.50    390.502  0.0000     0.0000   1495.50    390.502  ?       ?       50.346  7.3804  0.000000       7.380386  
1 1 1 8   87  13 o 65.887  3.5427  2398.65    251.889  2320.62    575.027  2417.18    280.203  61.754  8.8501  65.988  3.9384  -4.233776      9.686873  
1 1 1 8   87  14 o 31.017  6.2808  568.943    203.763  474.788    520.305  585.999    221.451  29.373  11.411  31.319  6.7288  -1.945765      13.24676  
1 1 1 8   87  15 o 38.637  7.4098  903.038    298.800  0.0000     0.0000   903.038    298.800  ?       ?       38.637  7.4098  0.000000       7.409779  
1 1 1 8   87  16 o 50.218  5.3175  1447.94    284.827  0.0000     0.0000   1447.94    284.827  ?       ?       50.218  5.3175  0.000000       5.317509  
1 1 1 8   87  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   87  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   88  0  o 21.056  6.2237  249.986    151.820  259.269    217.578  241.176    211.945  22.223  7.5591  21.625  7.4577  0.5975075      10.61876  
1 1 1 8   88  1  o 28.377  5.8492  461.035    173.801  139.385    249.706  763.280    242.056  20.007  7.8665  36.597  6.3360  -16.59032      10.10080  
1 1 1 8   88  2  o 54.681  3.5347  1638.85    208.222  1617.34    313.293  1655.87    278.678  53.880  5.4431  54.704  4.7506  -0.8234787     7.224675  
1 1 1 8   88  3  o 44.949  4.0607  1114.79    195.558  1113.63    295.358  1115.69    260.948  44.354  6.3276  44.624  5.5165  -0.2702827     8.394633  
1 1 1 8   88  4  o 40.383  4.4797  905.856    192.634  1093.75    312.628  790.856    244.581  43.777  6.8152  37.240  6.2877  6.537437       9.272675  
1 1 1 8   88  5  o 51.833  3.7935  1477.80    211.490  1509.39    320.025  1453.30    281.794  51.866  5.7959  51.065  5.1660  0.8008575      7.764077  
1 1 1 8   88  6  o 20.689  6.4792  238.269    161.404  69.649     253.842  352.710    209.122  18.646  7.7125  24.772  7.2994  -6.125732      10.61901  
1 1 1 8   88  7  o 73.500  3.3113  2952.51    263.604  3352.77    406.290  2661.53    346.414  77.779  4.8470  69.334  4.6397  8.444313       6.709702  
1 1 1 8   88  8  f 52.248  4.0403  1509.52    226.864  1822.33    369.092  1319.58    287.607  56.733  6.1025  48.364  5.5936  8.369125       8.278240  
1 1 1 8   88  9  o 79.893  3.4114  3498.97    295.195  3751.80    451.648  3310.43    390.034  81.969  5.1127  77.166  4.6889  4.803345       6.937260  
1 1 1 8   88  10 o 17.200  6.8622  98.361     192.607  503.704    340.587  -92.2188   233.537  29.053  9.4471  15.089  6.7941  13.96397       11.63649  
1 1 1 8   88  11 o 71.629  5.0101  2881.11    386.246  2477.31    663.564  3088.03    475.010  63.171  10.034  73.604  6.0109  -10.43274      11.69644  
1 1 1 8   88  12 o 36.096  9.7106  823.613    387.950  0.0000     0.0000   823.613    387.950  ?       ?       36.096  9.7106  0.000000       9.710584  
1 1 1 8   88  13 f 26.833  7.7437  435.643    237.547  0.0000     0.0000   435.643    237.547  ?       ?       26.833  7.7437  0.000000       7.743687  
1 1 1 8   88  14 o 26.265  7.7942  418.818    237.741  0.0000     0.0000   418.818    237.741  ?       ?       26.265  7.7942  0.000000       7.794220  
1 1 1 8   88  15 f 32.939  7.6352  667.278    267.082  0.0000     0.0000   667.278    267.082  ?       ?       32.939  7.6352  0.000000       7.635157  
1 1 1 8   88  16 o 44.098  5.8651  1135.11    273.185  0.0000     0.0000   1135.11    273.185  ?       ?       44.098  5.8651  0.000000       5.865130  
1 1 1 8   88  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   88  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   89  0  o 34.595  2.1000  652.423    78.312   613.345    82.781   985.360    241.627  33.516  2.2941  41.908  5.4525  -8.391026      5.915442  
1 1 1 8   89  1  o 26.255  5.9068  396.696    163.906  554.529    254.217  284.405    214.425  30.801  7.6539  22.848  7.4992  7.952864       10.71542  
1 1 1 8   89  2  o 70.361  3.2435  2700.78    247.183  2505.22    358.241  2878.49    341.499  67.267  4.9518  72.294  4.3820  -5.027130      6.612313  
1 1 1 8   89  3  o 54.634  3.6266  1638.77    213.385  1515.97    318.336  1738.97    287.550  51.999  5.7484  56.011  4.7858  -4.012608      7.479840  
1 1 1 8   89  4  o 47.684  3.9136  1253.59    200.344  1136.14    307.751  1339.99    263.929  44.661  6.5573  49.034  5.0414  -4.372581      8.271313  
1 1 1 8   89  5  o 9.4760  4.5927  -239.7298  146.087  -154.3749  226.824  -300.2324  190.968  14.109  6.4840  10.933  5.2873  3.175633       8.366456  
1 1 1 8   89  6  o 74.545  3.1769  3035.70    256.506  2984.97    377.441  3079.25    349.659  73.375  4.7753  74.678  4.3417  -1.303261      6.453998  
1 1 1 8   89  7  o 41.576  2.3662  944.080    106.112  899.473    114.482  1216.11    282.711  40.539  2.6213  46.342  5.7564  -5.803104      6.325193  
1 1 1 8   89  8  o 24.349  6.8567  346.848    188.518  331.010    316.583  355.550    234.658  25.128  9.0742  24.826  7.8184  0.3016415      11.97785  
1 1 1 8   89  9  o 24.843  7.2861  363.194    208.792  347.197    347.131  372.262    261.354  25.752  9.4708  25.387  8.2766  0.3647995      12.57770  
1 1 1 8   89  10 f 80.167  3.4026  3531.29    295.444  3393.96    459.748  3627.90    385.605  77.518  5.5117  80.742  4.4262  -3.224121      7.068930  
1 1 1 8   89  11 o 47.654  4.7361  1277.44    241.211  1099.48    387.747  1389.79    308.080  42.359  8.7413  49.241  5.8937  -6.881435      10.54257  
1 1 1 8   89  12 o 14.039  6.5400  -192.5209  242.663  -52.6652   448.020  -250.5840  288.674  21.455  9.5534  14.993  7.0328  6.461641       11.86290  
1 1 1 8   89  13 o 25.789  7.7576  400.760    234.333  0.0000     0.0000   400.760    234.333  ?       ?       25.789  7.7576  0.000000       7.757580  
1 1 1 8   89  14 o 42.752  6.0055  1064.58    270.414  0.0000     0.0000   1064.58    270.414  ?       ?       42.752  6.0055  0.000000       6.005549  
1 1 1 8   89  15 o 33.661  7.5744  697.082    269.477  0.0000     0.0000   697.082    269.477  ?       ?       33.661  7.5744  0.000000       7.574376  
1 1 1 8   89  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   89  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   90  0  o 13.340  5.8792  -41.7132   165.438  1.9366     236.685  -83.4118   231.335  16.887  7.2381  15.306  6.8365  1.580579       9.956325  
1 1 1 8   90  1  o 24.196  6.2913  338.368    166.413  345.845    230.948  330.293    240.002  24.742  7.7506  24.398  7.9302  0.3436775      11.08874  
1 1 1 8   90  2  o 20.426  6.7290  225.502    172.587  295.009    258.346  169.481    231.933  23.705  8.2303  20.142  7.6711  3.563328       11.25098  
1 1 1 8   90  3  o 53.111  3.6782  1551.20    210.288  1564.40    316.428  1540.76    281.424  52.812  5.6181  52.595  5.0004  0.2169800      7.521143  
1 1 1 8   90  4  o 24.046  6.4722  335.243    172.287  673.530    274.162  114.469    221.482  33.819  7.6621  18.570  7.3745  15.24902       10.63442  
1 1 1 8   90  5  o 26.030  6.2418  394.369    173.703  363.864    277.761  413.961    222.602  25.552  8.5416  26.583  7.4385  -1.030542      11.32653  
1 1 1 8   90  6  o 62.472  3.4665  2144.69    233.635  2011.81    357.634  2243.62    308.586  59.809  5.5854  63.587  4.5099  -3.777565      7.178827  
1 1 1 8   90  7  o 25.182  7.0468  372.591    199.767  501.872    323.661  293.036    253.898  29.079  9.1849  23.361  8.1565  5.718130       12.28376  
1 1 1 8   90  8  o 79.532  3.3046  3469.38    284.665  3217.80    430.575  3664.73    379.414  75.687  5.2856  81.267  4.3261  -5.580856      6.830272  
1 1 1 8   90  9  o 45.503  4.8498  1165.82    235.335  1226.21    389.199  1131.01    295.469  45.160  8.2615  44.225  6.3507  0.9351158      10.42033  
1 1 1 8   90  10 o 16.883  6.9751  65.409     207.284  -76.5990   348.513  143.142    257.849  18.836  8.4037  19.881  7.9374  -1.045818      11.55960  
1 1 1 8   90  11 o 38.727  5.4410  859.201    221.929  1036.51    377.987  765.922    274.159  41.025  8.7723  35.774  7.3222  5.250847       11.42664  
1 1 1 8   90  12 f 74.255  4.1236  3068.52    330.335  3048.79    612.107  3076.62    392.379  71.414  8.0543  73.931  4.9284  -2.516998      9.442452  
1 1 1 8   90  13 o 43.219  5.5690  1075.38    254.620  0.0000     0.0000   1075.38    254.620  ?       ?       43.219  5.5690  0.000000       5.568957  
1 1 1 8   90  14 o 40.197  6.6723  959.745    280.308  0.0000     0.0000   959.745    280.308  ?       ?       40.197  6.6723  0.000000       6.672252  
1 1 1 8   90  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   90  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   90  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   91  0  o 78.571  3.1572  3370.85    268.680  3163.19    381.489  3575.24    378.469  75.605  4.6817  80.508  4.3565  -4.903214      6.395125  
1 1 1 8   91  1  o 19.707  6.7756  202.365    174.883  263.495    258.617  150.859    237.388  22.877  8.2087  19.808  7.7038  3.069496       11.25751  
1 1 1 8   91  2  o 18.828  6.7185  174.792    173.013  135.157    258.761  206.836    232.668  20.007  7.9628  20.988  7.7479  -0.9806499     11.11019  
1 1 1 8   91  3  o 106.802 3.1296  6232.11    362.027  6210.02    529.192  6251.53    496.351  106.070 4.6063  106.552 4.3009  -0.4828568     6.302018  
1 1 1 8   91  4  o 120.976 3.1684  8001.52    415.159  7820.06    603.253  8164.78    572.221  118.930 4.6832  121.699 4.3412  -2.768532      6.385748  
1 1 1 8   91  5  o 50.782  3.8144  1424.90    208.267  1445.46    321.141  1409.97    273.605  50.431  5.9968  50.122  5.1114  0.3090973      7.879645  
1 1 1 8   91  6  o 35.811  5.2001  728.488    195.799  406.013    307.145  949.252    254.132  26.672  8.9817  40.711  5.9381  -14.03975      10.76715  
1 1 1 8   91  7  o 52.100  4.1821  1509.09    234.009  1268.42    364.398  1678.01    305.274  46.418  7.5041  54.573  5.2287  -8.154991      9.146120  
1 1 1 8   91  8  o 47.432  4.3130  1255.57    219.155  1613.98    353.119  1031.03    279.496  53.018  6.2707  42.226  6.3043  10.79264       8.891941  
1 1 1 8   91  9  o 15.566  6.6110  21.956     194.188  -145.2266  360.987  90.035     230.358  18.386  8.3462  18.095  7.4005  0.2907200      11.15462  
1 1 1 8   91  10 o 92.743  3.4192  4730.71    343.457  4635.60    527.301  4800.80    452.645  90.633  5.3960  92.907  4.4982  -2.274597      7.025012  
1 1 1 8   91  11 o 33.766  6.1800  668.012    217.689  851.738    375.062  574.677    267.324  36.753  9.3882  30.657  7.9751  6.095991       12.31825  
1 1 1 8   91  12 o 54.555  5.7828  1709.19    336.488  0.0000     0.0000   1709.19    336.488  ?       ?       54.555  5.7828  0.000000       5.782780  
1 1 1 8   91  13 o 16.938  7.2810  20.888     240.749  0.0000     0.0000   20.888     240.749  ?       ?       16.938  7.2810  0.000000       7.281021  
1 1 1 8   91  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   91  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   91  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   92  0  o 31.083  5.1836  549.632    168.365  506.493    239.866  591.526    236.381  29.270  7.5246  31.744  7.0578  -2.473724      10.31658  
1 1 1 8   92  1  o 89.253  3.1051  4353.67    300.171  4134.74    437.511  4548.37    412.596  86.356  4.6953  90.887  4.1913  -4.531013      6.293864  
1 1 1 8   92  2  o 72.000  3.2494  2836.53    253.398  2963.01    368.241  2722.78    349.231  73.047  4.6790  70.029  4.6304  3.017647       6.582817  
1 1 1 8   92  3  o 34.258  5.1885  666.388    186.492  654.286    287.496  675.180    245.042  33.052  8.0952  33.946  6.8998  -0.8945122     10.63671  
1 1 1 8   92  4  o 80.621  3.1598  3557.67    275.914  3483.25    406.905  3621.01    375.401  79.106  4.7715  80.864  4.3017  -1.757767      6.424259  
1 1 1 8   92  5  o 15.090  6.2442  44.583     166.499  139.462    270.909  -13.0096   211.067  20.233  8.1153  15.566  6.7542  4.666544       10.55832  
1 1 1 8   92  6  o 58.582  3.7582  1896.69    237.198  1899.32    353.141  1894.53    320.173  57.876  5.7079  58.044  5.1462  -0.1678810     7.685238  
1 1 1 8   92  7  o 24.594  7.1761  356.171    202.998  643.049    330.572  182.501    257.206  32.355  9.0687  20.749  8.0332  11.60554       12.11496  
1 1 1 8   92  8  o 62.031  3.6738  2126.02    245.728  2116.18    385.671  2132.75    318.818  60.942  5.9176  61.698  4.8089  -0.7566948     7.625129  
1 1 1 8   92  9  o 52.257  4.2439  1523.03    238.128  1221.90    393.815  1696.58    298.977  44.908  8.4055  54.834  5.0921  -9.926514      9.827616  
1 1 1 8   92  10 o 41.407  1.6766  932.138    75.194   958.847    77.928   571.451    286.372  41.992  1.7134  30.494  8.4018  11.49849       8.574718  
1 1 1 8   92  11 o 25.411  7.5404  387.635    222.514  534.877    370.988  304.904    278.087  29.494  9.8714  23.652  8.5094  5.842031       13.03285  
1 1 1 8   92  12 o 23.773  9.0428  286.451    322.038  0.0000     0.0000   286.451    322.038  ?       ?       23.773  9.0428  0.000000       9.042772  
1 1 1 8   92  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   92  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   92  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   93  0  o 53.620  3.7718  1587.80    217.655  1695.31    310.557  1484.01    305.136  54.916  5.2866  51.237  5.5891  3.678505       7.693187  
1 1 1 8   93  1  o 42.006  4.5120  986.771    202.064  981.562    298.995  991.151    274.142  41.034  6.9772  41.502  6.2963  -0.4680214     9.398104  
1 1 1 8   93  2  o 16.351  6.5346  84.647     174.947  111.423    264.174  63.731     233.484  19.539  7.9505  17.752  7.3740  1.787310       10.84378  
1 1 1 8   93  3  f 32.403  5.4824  602.143    185.543  566.363    285.924  628.171    243.862  30.632  8.3769  32.583  7.1099  -1.950867      10.98734  
1 1 1 8   93  4  o 13.996  6.0387  -6.0291    166.807  -67.0583   267.151  32.968     213.552  16.623  7.3910  16.497  6.9654  0.1262589      10.15595  
1 1 1 8   93  5  o 48.529  1.9003  1280.79    99.884   1317.15    108.248  1072.43    259.150  49.198  2.0314  43.376  5.6503  5.822788       6.004364  
1 1 1 8   93  6  o 14.544  6.2303  5.2341     175.171  150.422    288.230  -79.8000   220.582  20.805  8.3616  14.792  6.6365  6.012166       10.67513  
1 1 1 8   93  7  o 66.818  3.5707  2462.80    257.478  2553.86    405.033  2401.05    333.547  67.159  5.6199  65.523  4.7317  1.635056       7.346624  
1 1 1 8   93  8  o 54.466  3.9911  1648.03    233.806  1709.76    372.923  1608.05    300.115  54.417  6.4530  53.307  5.2668  1.109543       8.329542  
1 1 1 8   93  9  o 25.515  7.1214  388.734    204.299  500.783    359.212  335.160    248.382  28.857  9.7132  24.158  8.0772  4.699194       12.63281  
1 1 1 8   93  10 o 83.588  2.8457  3828.09    257.632  3042.75    479.602  4146.62    305.444  72.783  6.1413  86.844  3.2473  -14.06170      6.946930  
1 1 1 8   93  11 o 64.451  4.5582  2331.76    316.140  2564.56    669.919  2265.06    358.578  63.622  10.056  63.134  5.2927  0.4879646      11.36376  
1 1 1 8   93  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   93  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   93  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   94  0  o 46.732  4.2773  1216.40    214.094  1156.85    296.079  1281.65    309.945  44.866  6.2636  47.287  6.2011  -2.420738      8.813994  
1 1 1 8   94  1  o 26.614  6.5345  417.218    186.977  265.945    278.518  541.328    252.277  23.049  8.4824  30.061  7.7108  -7.011957      11.46328  
1 1 1 8   94  2  o 45.268  4.2599  1142.01    206.407  1268.40    307.124  1037.90    278.742  47.036  6.1780  42.453  6.2490  4.582523       8.787341  
1 1 1 8   94  3  o 46.948  4.1089  1225.51    206.833  1241.46    313.017  1213.15    275.561  46.429  6.3941  46.196  5.6234  0.2335129      8.515152  
1 1 1 8   94  4  o 100.562 2.9506  5532.69    321.376  5451.56    444.303  5621.72    465.422  99.340  4.1294  100.813 4.2624  -1.473457      5.934669  
1 1 1 8   94  5  o 78.750  3.1676  3399.01    270.179  3547.27    397.324  3271.50    368.486  79.794  4.6171  76.693  4.4552  3.100311       6.416083  
1 1 1 8   94  6  o 40.564  4.7565  927.488    205.007  1088.31    322.314  818.225    265.673  43.003  7.1727  37.309  6.8260  5.694023       9.901567  
1 1 1 8   94  7  o 44.799  4.5482  1126.61    217.628  921.635    349.227  1256.74    278.266  38.818  8.5383  46.939  5.5828  -8.121494      10.20153  
1 1 1 8   94  8  o 15.819  6.6043  45.033     188.638  19.761     324.531  57.929     231.824  19.443  8.4058  17.466  7.3091  1.977489       11.13917  
1 1 1 8   94  9  o 19.401  7.1788  183.266    199.971  374.698    358.115  96.531     241.054  26.142  9.6187  18.441  7.5595  7.701017       12.23376  
1 1 1 8   94  10 o 43.431  5.6743  1086.16    260.539  367.316    618.043  1241.51    287.316  28.950  12.009  46.392  5.8480  -17.44212      13.35730  
1 1 1 8   94  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   94  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   94  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   94  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   95  0  o 25.877  6.0442  392.001    166.339  349.736    237.283  432.839    233.246  24.616  7.8739  26.974  7.6378  -2.357441      10.96967  
1 1 1 8   95  1  o 71.284  2.6004  2773.38    200.771  2819.40    244.476  2678.04    351.861  71.744  3.1462  69.287  4.7167  2.456841       5.669732  
1 1 1 8   95  2  o 22.986  6.6218  308.434    173.840  412.829    282.868  245.076    220.367  26.583  8.6069  21.554  7.5940  5.029015       11.47814  
1 1 1 8   95  3  f 47.566  4.0972  1258.39    209.023  916.412    316.549  1522.77    278.331  39.198  7.7307  52.041  4.9995  -12.84278      9.206469  
1 1 1 8   95  4  o 90.196  3.1562  4459.17    308.337  4555.15    446.047  4371.34    426.703  90.464  4.5671  88.785  4.4373  1.679016       6.367697  
1 1 1 8   95  5  o 73.470  3.2509  2962.10    258.693  3129.65    388.579  2828.73    346.689  74.791  4.8226  71.231  4.5170  3.559364       6.607644  
1 1 1 8   95  6  o 39.292  2.2924  844.588    97.134   809.861    104.020  1081.11    271.474  38.434  2.5126  43.356  5.9371  -4.921860      6.446895  
1 1 1 8   95  7  o 55.542  3.9272  1713.26    234.730  2061.35    371.292  1481.52    302.952  60.122  5.7727  50.982  5.5773  9.140011       8.026904  
1 1 1 8   95  8  o 44.356  4.6935  1109.87    222.062  834.152    361.143  1277.49    281.584  36.466  9.1567  47.235  5.6139  -10.76886      10.74068  
1 1 1 8   95  9  o 53.163  4.7883  1594.06    272.752  1612.00    619.134  1589.74    303.823  48.932  11.816  52.816  5.3865  -3.883686      12.98561  
1 1 1 8   95  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   95  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   95  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   95  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   96  0  o 75.276  3.2643  3107.69    266.143  3135.09    378.223  3080.81    374.571  74.978  4.6808  74.326  4.6768  0.6523743      6.616807  
1 1 1 8   96  1  o 21.242  7.0042  251.681    186.973  106.472    277.867  371.829    252.754  19.736  8.1061  25.291  8.1304  -5.555080      11.48099  
1 1 1 8   96  2  o 16.123  6.5726  68.509     180.962  445.184    276.378  -214.1634  239.421  27.333  8.4651  13.723  6.4266  13.60979       10.62826  
1 1 1 8   96  3  o 21.083  6.9050  249.335    181.831  458.822    279.841  96.266     239.209  27.672  8.5094  18.480  7.5476  9.192266       11.37438  
1 1 1 8   96  4  o 19.130  1.4221  199.774    29.254   204.837    29.525   -72.6319   216.569  19.372  1.4170  14.732  6.5950  4.639884       6.745535  
1 1 1 8   96  5  o 14.073  6.1031  -11.0013   172.161  151.840    280.066  -109.9089  218.270  20.572  8.2514  14.231  6.4717  6.340724       10.48653  
1 1 1 8   96  6  f 41.549  4.6437  972.938    205.398  848.369    311.782  1068.46    273.016  37.427  7.9374  43.020  6.0246  -5.593143      9.964866  
1 1 1 8   96  7  o 19.597  7.0691  196.164    192.053  131.991    322.723  231.352    238.975  21.102  8.7095  21.369  7.8582  -0.2667389     11.73061  
1 1 1 8   96  8  o 15.371  6.5514  19.483     191.949  144.704    330.861  -44.0450   235.663  21.445  8.8311  15.781  6.9826  5.664329       11.25815  
1 1 1 8   96  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   96  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   96  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   96  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   97  0  o 57.479  3.7139  1826.99    229.977  1727.64    326.161  1925.21    324.319  55.200  5.5297  58.454  5.1761  -3.253895      7.574328  
1 1 1 8   97  1  o 53.463  2.3873  1558.96    138.241  1627.30    157.294  1327.04    289.779  54.576  2.6610  48.259  5.6509  6.316193       6.246050  
1 1 1 8   97  2  o 42.003  4.4200  988.973    198.066  959.340    314.575  1008.44    254.945  40.149  7.5101  41.938  5.7651  -1.789497      9.467760  
1 1 1 8   97  3  o 27.983  1.5522  426.676    46.859   433.195    47.939   286.894    221.997  28.194  1.5762  22.637  7.6358  5.557245       7.796818  
1 1 1 8   97  4  o 11.980  5.6059  -164.4147  181.551  -62.9504   293.942  -226.9951  230.847  17.430  7.7511  13.223  6.2296  4.206595       9.944211  
1 1 1 8   97  5  o 19.583  6.9141  201.063    182.772  -4.6366    285.823  343.363    237.729  18.002  7.8356  24.285  7.8925  -6.282814      11.12156  
1 1 1 8   97  6  o 35.035  5.6250  709.256    206.226  833.958    329.239  628.740    264.554  36.808  8.4386  32.170  7.6960  4.638466       11.42092  
1 1 1 8   97  7  o ?       ?       -323.1904  35.542   -328.1688  35.994   -128.6146  225.021  ?       ?       14.175  6.4936  0.000000       6.493574  
1 1 1 8   97  8  o 21.662  9.4644  26.671     420.502  0.0000     0.0000   26.671     420.502  ?       ?       21.662  9.4644  0.000000       9.464358  
1 1 1 8   97  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   97  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   97  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   98  0  o 29.912  5.8863  521.928    183.910  560.243    276.466  491.515    246.313  30.318  8.2148  28.527  7.7641  1.790960       11.30328  
1 1 1 8   98  1  f 36.888  5.2665  777.310    204.440  857.673    302.382  709.645    277.465  37.801  7.6482  34.307  7.6609  3.494190       10.82516  
1 1 1 8   98  2  o 50.481  1.9569  1387.10    106.995  1458.66    114.401  887.537    302.276  51.755  2.0408  38.517  7.5156  13.23864       7.787793  
1 1 1 8   98  3  o 35.853  5.4316  737.976    204.319  449.223    322.568  931.452    264.041  27.519  9.2047  40.008  6.3019  -12.48815      11.15533  
1 1 1 8   98  4  o 18.681  6.8177  172.158    179.394  274.552    285.846  105.621    230.422  23.154  8.5798  18.357  7.4416  4.796581       11.35739  
1 1 1 8   98  5  o 17.787  6.7184  142.516    176.968  122.907    264.386  158.433    238.199  19.565  7.9565  19.663  7.6976  -0.9801102E-01 11.07067  
1 1 1 8   98  6  o 44.974  4.5962  1139.73    220.745  1111.31    347.827  1158.91    285.641  42.943  7.7640  44.741  6.0496  -1.797459      9.842627  
1 1 1 8   98  7  o 101.826 6.8237  6030.18    748.223  0.0000     0.0000   6030.18    748.223  ?       ?       101.826 6.8237  0.000000       6.823706  
1 1 1 8   98  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   98  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   98  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   99  0  o 56.917  3.8879  1798.10    238.245  1508.21    328.594  2119.39    345.932  51.223  6.0389  61.217  5.2687  -9.994370      8.014186  
1 1 1 8   99  1  o 73.948  2.7054  2990.93    216.686  2927.27    271.694  3102.19    359.184  72.935  3.4393  74.554  4.4687  -1.619278      5.639024  
1 1 1 8   99  2  o 62.626  3.5130  2166.51    237.324  2034.54    364.443  2263.68    312.717  59.734  5.7022  63.593  4.5706  -3.859364      7.307967  
1 1 1 8   99  3  o 33.532  5.3372  646.806    187.340  821.103    303.468  539.481    238.133  36.797  7.8535  29.880  7.3974  6.916275       10.78888  
1 1 1 8   99  4  f 34.216  5.2870  672.677    189.616  831.551    327.439  592.519    232.582  36.748  8.4087  31.447  7.0078  5.301651       10.94602  
1 1 1 8   99  5  o 46.312  5.0592  1217.53    249.647  1357.89    484.017  1166.66    291.399  46.176  9.9696  44.838  6.1632  1.337784       11.72084  
1 1 1 8   99  6  o 26.230  10.323  335.977    430.410  0.0000     0.0000   335.977    430.410  ?       ?       26.230  10.323  0.000000       10.32317  
1 1 1 8   99  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   99  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   99  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   100 0  o ?       ?       -137.2093  26.404   -142.6519  26.579   271.402    230.299  ?       ?       22.255  7.7683  0.000000       7.768268  
1 1 1 8   100 1  o 53.263  4.0158  1579.47    229.964  1656.29    336.814  1512.38    314.745  53.737  5.8830  51.388  5.7537  2.349197       8.228857  
1 1 1 8   100 2  o 45.662  2.0185  1135.71    99.829   1172.65    105.726  832.024    303.161  46.387  2.1043  37.049  7.8014  9.338272       8.080264  
1 1 1 8   100 3  o 43.484  4.6956  1067.62    217.641  823.815    341.324  1234.67    282.527  36.387  8.7648  46.349  5.7515  -9.962708      10.48339  
1 1 1 8   100 4  o 40.919  5.4659  961.047    236.191  820.983    473.381  1007.47    272.539  35.354  11.100  41.568  6.2465  -6.214714      12.73690  
1 1 1 8   100 5  o 24.959  10.174  249.970    433.533  0.0000     0.0000   249.970    433.533  ?       ?       24.959  10.174  0.000000       10.17376  
1 1 1 8   100 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   100 7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   101 0  o 62.230  3.6936  2145.62    247.843  2128.76    356.203  2161.43    345.067  61.196  5.4305  61.784  5.2050  -0.5882759     7.522160  
1 1 1 8   101 1  o 35.164  5.3906  711.649    198.760  820.119    279.302  600.358    282.910  37.018  7.2254  31.221  8.2443  5.797716       10.96245  
1 1 1 8   101 2  o 42.272  5.0964  1016.90    228.630  919.674    464.112  1048.05    262.719  37.452  10.828  42.609  5.8469  -5.156918      12.30618  
1 1 1 8   101 3  o 24.473  8.6259  336.404    284.353  522.552    436.476  199.144    374.804  29.601  10.660  23.218  9.4613  6.382557       14.25286  
1 1 1 8   101 4  o 19.306  8.5584  -43.9588   355.632  0.0000     0.0000   -43.9588   355.632  ?       ?       19.306  8.5584  0.000000       8.558385  
1 1 1 8   101 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   101 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 8   102 0  o 12.741  5.8825  -132.6502  189.760  -74.9979   277.560  -183.2461  260.020  16.711  7.4744  14.753  6.8377  1.957262       10.13015  
1 1 1 8   102 1  o 13.305  6.2340  -200.4054  225.763  -59.5395   405.239  -263.8032  271.860  20.366  9.0758  14.278  6.7369  6.087652       11.30293  
1 1 1 8   102 2  o 57.286  7.8023  1958.55    471.509  0.0000     0.0000   1958.55    471.509  ?       ?       57.286  7.8023  0.000000       7.802289  
1 1 1 8   102 3  o 32.435  10.145  668.589    395.863  0.0000     0.0000   668.589    395.863  ?       ?       32.435  10.145  0.000000       10.14518  
1 1 1 8   102 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   0   0  o 397.706 9.5381  85872.09   4103.28  85872.09   4103.28  85872.09   4103.28  397.706 9.5381  397.706 9.5381  0.000000       0.000000  
1 1 1 9   0   1  o 324.881 7.9940  57293.63   2809.08  57293.63   2809.08  57293.63   2809.08  324.881 7.9940  324.881 7.9940  0.000000       0.000000  
1 1 1 9   0   2  o 568.257 19.000  175969.20  11664.46 175969.20  11664.46 175969.20  11664.46 568.257 19.000  568.257 19.000  0.000000       0.000000  
1 1 1 9   0   3  o 494.758 11.730  132929.00  6277.74  132929.00  6277.74  132929.00  6277.74  494.758 11.730  494.758 11.730  0.000000       0.000000  
1 1 1 9   0   4  o 27.659  4.2917  443.177    119.352  443.177    119.352  443.177    119.352  27.659  4.2917  27.659  4.2917  0.000000       0.000000  
1 1 1 9   0   5  o 217.314 5.7652  25635.59   1354.82  25635.59   1354.82  25635.59   1354.82  217.314 5.7652  217.314 5.7652  0.000000       0.000000  
1 1 1 9   0   6  o 84.497  3.4562  3886.34    315.108  3886.34    315.108  3886.34    315.108  84.497  3.4562  84.497  3.4562  0.000000       0.000000  
1 1 1 9   0   7  o 301.297 7.4812  49277.02   2437.97  49277.02   2437.97  49277.02   2437.97  301.297 7.4812  301.297 7.4812  0.000000       0.000000  
1 1 1 9   0   8  o 418.606 10.068  95153.52   4558.87  95153.52   4558.87  95153.52   4558.87  418.606 10.068  418.606 10.068  0.000000       0.000000  
1 1 1 9   0   9  o 707.318 16.542  272178.00  12657.50 272178.00  12657.50 272178.00  12657.50 707.318 16.542  707.318 16.542  0.000000       0.000000  
1 1 1 9   0   10 o 226.427 5.9620  27835.23   1459.85  27835.23   1459.85  27835.23   1459.85  226.427 5.9620  226.427 5.9620  0.000000       0.000000  
1 1 1 9   0   11 o 292.678 7.3257  46515.78   2318.95  46515.78   2318.95  46515.78   2318.95  292.678 7.3257  292.678 7.3257  0.000000       0.000000  
1 1 1 9   0   12 o 15.315  7.2569  186.363    136.685  186.363    136.685  186.363    136.685  15.315  7.2569  15.315  7.2569  0.000000       0.000000  
1 1 1 9   0   13 o 410.601 14.059  92050.93   6235.85  92050.93   6235.85  92050.93   6235.85  410.601 14.059  410.601 14.059  0.000000       0.000000  
1 1 1 9   0   14 o 197.744 5.4410  21242.19   1163.34  21242.19   1163.34  21242.19   1163.34  197.744 5.4410  197.744 5.4410  0.000000       0.000000  
1 1 1 9   0   15 o 17.573  8.2690  245.317    177.154  245.317    177.154  245.317    177.154  17.573  8.2690  17.573  8.2690  0.000000       0.000000  
1 1 1 9   0   16 o 31.157  6.9129  597.787    203.922  597.787    203.922  597.787    203.922  31.157  6.9129  31.157  6.9129  0.000000       0.000000  
1 1 1 9   0   17 o 12.793  7.6537  91.435     188.757  91.435     188.757  91.435     188.757  12.793  7.6537  12.793  7.6537  0.000000       0.000000  
1 1 1 9   0   18 o 94.165  4.5491  4840.21    461.500  4840.21    461.500  4840.21    461.500  94.165  4.5491  94.165  4.5491  0.000000       0.000000  
1 1 1 9   0   19 o 71.000  5.2066  2777.75    395.445  2777.75    395.445  2777.75    395.445  71.000  5.2066  71.000  5.2066  0.000000       0.000000  
1 1 1 9   0   20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   0   21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   0   22 o 56.124  5.8760  1767.39    348.226  1767.39    348.226  1767.39    348.226  56.124  5.8760  56.124  5.8760  0.000000       0.000000  
1 1 1 9   0   23 o 12.638  8.2562  -30.7544   277.649  -30.7544   277.649  -30.7544   277.649  12.638  8.2562  12.638  8.2562  0.000000       0.000000  
1 1 1 9   0   24 o 159.860 4.9518  13951.97   855.520  13951.97   855.520  13951.97   855.520  159.860 4.9518  159.860 4.9518  0.000000       0.000000  
1 1 1 9   0   25 o 31.858  9.2836  682.599    278.122  682.599    278.122  682.599    278.122  31.858  9.2836  31.858  9.2836  0.000000       0.000000  
1 1 1 9   0   26 o 41.488  7.1646  1025.31    293.144  1025.31    293.144  1025.31    293.144  41.488  7.1646  41.488  7.1646  0.000000       0.000000  
1 1 1 9   0   27 f 70.080  4.8919  2725.09    367.160  2725.09    367.160  2725.09    367.160  70.080  4.8919  70.080  4.8919  0.000000       0.000000  
1 1 1 9   0   28 o 20.520  10.943  353.369    330.638  353.369    330.638  353.369    330.638  20.520  10.943  20.520  10.943  0.000000       0.000000  
1 1 1 9   0   29 o 14.544  9.3126  46.411     330.303  46.411     330.303  46.411     330.303  14.544  9.3126  14.544  9.3126  0.000000       0.000000  
1 1 1 9   0   30 o 27.501  2.1550  418.551    63.285   418.551    63.285   418.551    63.285   27.501  2.1550  27.501  2.1550  0.000000       0.000000  
1 1 1 9   0   31 o 32.229  11.482  808.475    365.494  808.475    365.494  808.475    365.494  32.229  11.482  32.229  11.482  0.000000       0.000000  
1 1 1 9   0   32 o 69.387  5.9606  2806.28    440.360  2806.28    440.360  2806.28    440.360  69.387  5.9606  69.387  5.9606  0.000000       0.000000  
1 1 1 9   0   33 o 23.865  11.867  572.242    371.556  572.242    371.556  572.242    371.556  23.865  11.867  23.865  11.867  0.000000       0.000000  
1 1 1 9   0   34 o 15.744  9.9592  184.616    364.369  184.616    364.369  184.616    364.369  15.744  9.9592  15.744  9.9592  0.000000       0.000000  
1 1 1 9   0   35 f 24.429  13.846  792.245    565.985  792.245    565.985  792.245    565.985  24.429  13.846  24.429  13.846  0.000000       0.000000  
1 1 1 9   1   0  f 191.149 3.7049  19791.97   767.050  19901.42   1084.81  19682.53   1084.74  191.655 5.2259  190.597 5.2546  1.057419       7.410856  
1 1 1 9   1   1  o 330.914 5.7119  59334.63   2047.23  59553.26   2895.14  59115.98   2895.29  331.434 8.0650  330.214 8.0952  1.220398       11.42698  
1 1 1 9   1   2  o 707.694 23.469  273637.50  17989.04 273637.50  17989.04 0.0000     0.0000   707.694 23.469  ?       ?       0.000000       23.46889  
1 1 1 9   1   3  o 262.555 4.6953  37344.89   1335.23  39302.05   1888.54  35388.72   1888.07  269.306 6.4746  255.538 6.8217  13.76813       9.405080  
1 1 1 9   1   4  o 158.317 3.2740  13575.84   561.414  13400.40   793.867  13751.37   794.050  157.277 4.6603  159.324 4.6015  -2.047012      6.549173  
1 1 1 9   1   5  o 666.083 12.730  240888.30  9183.64  244681.59  11247.69 233301.80  15906.32 670.894 15.479  653.735 22.465  17.15924       27.28097  
1 1 1 9   1   6  o 483.350 8.0777  126659.10  4228.81  124120.80  5980.36  129197.60  5980.53  478.211 11.546  487.914 11.317  -9.703217      16.16743  
1 1 1 9   1   7  o 503.840 8.4185  137648.00  4594.08  136984.41  6496.96  138311.70  6497.06  502.306 11.942  504.740 11.884  -2.433777      16.84778  
1 1 1 9   1   8  o 622.139 10.236  210034.00  6897.38  208638.30  9754.42  211429.80  9754.31  619.434 14.539  623.581 14.442  -4.147034      20.49294  
1 1 1 9   1   9  o 340.837 5.8884  62958.93   2173.79  61685.89   3074.35  64231.73   3074.05  337.242 8.4167  344.142 8.2472  -6.899292      11.78372  
1 1 1 9   1   10 o 357.961 6.1441  69459.86   2382.12  70320.77   3369.19  68599.31   3368.47  360.002 8.6407  355.560 8.7468  4.442139       12.29508  
1 1 1 9   1   11 o 539.023 8.9787  157746.00  5241.95  160726.80  7413.35  154765.41  7413.12  543.425 12.595  533.200 12.836  10.22443       17.98362  
1 1 1 9   1   12 o 125.297 2.9094  8504.83    394.837  8423.17    557.362  8587.10    559.412  124.674 4.1275  125.882 4.1030  -1.207809      5.819881  
1 1 1 9   1   13 o 151.048 6.5234  12380.96   1067.24  12380.96   1067.24  0.0000     0.0000   151.048 6.5234  ?       ?       0.000000       6.523439  
1 1 1 9   1   14 o 175.655 4.3898  16727.95   835.171  17137.54   1351.50  16474.91   1062.28  177.639 7.0243  174.260 5.6282  3.379898       9.001002  
1 1 1 9   1   15 o 97.126  2.7989  5111.31    294.436  4948.55    415.068  5276.16    417.735  95.541  4.0111  98.655  3.9094  -3.114548      5.601084  
1 1 1 9   1   16 o 151.325 3.2771  12411.28   537.126  12929.01   760.031  11894.70   759.191  154.390 4.5451  148.076 4.7336  6.314133       6.562395  
1 1 1 9   1   17 o 183.923 3.6645  18340.48   730.003  19307.43   1032.96  17375.71   1031.80  188.610 5.0565  178.905 5.3248  9.705292       7.343119  
1 1 1 9   1   18 f 53.064  2.3897  1525.74    137.347  1644.64    306.030  1495.75    153.695  54.790  5.2201  52.466  2.7140  2.324249       5.883424  
1 1 1 9   1   19 o 299.992 7.4850  49038.29   2432.03  46632.88   3430.82  51467.96   3448.08  291.553 10.865  306.464 10.388  -14.91104      15.03150  
1 1 1 9   1   20 o 61.968  8.9634  2143.28    584.125  0.0000     0.0000   2143.28    584.125  ?       ?       61.968  8.9634  0.000000       8.963392  
1 1 1 9   1   21 o 212.162 5.7791  24509.55   1327.99  26580.15   1885.71  22472.23   1870.49  220.424 7.8985  202.507 8.5280  17.91666       11.62383  
1 1 1 9   1   22 o 75.905  4.8915  3149.34    399.999  3223.45    588.437  3085.68    545.381  76.391  7.1967  74.806  6.8057  1.585419       9.905053  
1 1 1 9   1   23 o 60.933  2.3849  2014.23    157.394  1660.11    336.759  2113.21    178.036  54.795  5.7605  62.400  2.6342  -7.605755      6.334255  
1 1 1 9   1   24 o 68.192  3.4352  2537.43    252.906  2058.05    351.760  3050.41    363.875  61.040  5.3754  74.590  4.5255  -13.54930      7.026747  
1 1 1 9   1   25 o 43.068  1.8669  1006.44    87.082   1001.89    91.418   1051.07    286.154  42.965  1.9645  43.153  6.3087  -0.1872063     6.607521  
1 1 1 9   1   26 o 38.720  1.9905  816.290    83.194   1030.71    283.182  796.036    87.035   42.614  6.3275  38.223  2.1105  4.391514       6.670238  
1 1 1 9   1   27 o 75.460  3.3685  3113.75    275.311  3342.72    393.091  2893.29    385.712  77.699  4.6930  72.173  4.9644  5.526718       6.831524  
1 1 1 9   1   28 o 78.047  2.8684  3327.89    242.478  3442.23    435.218  3276.42    291.996  78.463  5.1498  77.279  3.4885  1.183830       6.220144  
1 1 1 9   1   29 o 44.654  2.4299  1091.48    117.081  1250.66    365.765  1073.31    123.584  45.839  7.6358  44.248  2.5900  1.590462       8.063100  
1 1 1 9   1   30 o 20.017  7.7804  175.016    242.023  222.709    341.678  126.990    342.869  22.889  9.1373  21.318  8.9023  1.570860       12.75697  
1 1 1 9   1   31 o 9.1768  3.3850  37.442     44.393   30.510     44.752   464.584    351.310  8.8201  3.3672  27.061  9.5824  -18.24080      10.15681  
1 1 1 9   1   32 o 34.272  7.3676  763.570    265.347  1100.77    372.884  417.648    377.677  39.929  8.8543  25.058  9.7251  14.87068       13.15201  
1 1 1 9   1   33 f 18.403  7.6770  143.724    254.613  175.670    357.617  110.883    362.589  20.495  8.8423  19.704  8.6928  0.7907085      12.39965  
1 1 1 9   1   34 o 35.943  1.4171  705.902    55.167   718.980    55.790   130.444    370.083  36.274  1.4200  19.489  8.6800  16.78528       8.795372  
1 1 1 9   1   35 o 20.105  8.9023  205.909    383.699  398.639    540.613  10.274     544.673  22.990  10.346  19.848  9.4156  3.142117       13.98873  
1 1 1 9   2   0  o 649.917 21.594  230574.80  15200.67 230574.80  15200.67 0.0000     0.0000   649.917 21.594  ?       ?       0.000000       21.59407  
1 1 1 9   2   1  o 375.114 6.3951  76253.79   2598.25  77528.34   3674.49  74979.26   3674.46  378.111 8.9724  371.835 9.1238  6.276428       12.79634  
1 1 1 9   2   2  o 461.932 7.7396  115668.60  3872.29  117580.10  5476.34  113757.30  5476.15  465.516 10.861  457.872 11.042  7.644745       15.48880  
1 1 1 9   2   3  o 372.681 6.3719  75264.32   2572.03  72629.47   3637.34  77899.33   3637.45  365.975 9.1762  379.037 8.8602  -13.06155      12.75563  
1 1 1 9   2   4  o 485.068 8.1057  127552.00  4258.56  128965.40  6022.59  126138.60  6022.43  487.505 11.406  482.122 11.533  5.383392       16.22063  
1 1 1 9   2   5  o 435.296 7.3618  102703.40  3470.85  103138.90  4908.64  102267.90  4908.41  436.031 10.394  434.183 10.438  1.848206       14.72999  
1 1 1 9   2   6  o 370.760 6.3361  74493.34   2544.42  74521.20   3598.23  74465.46   3598.46  370.705 8.9617  370.566 8.9656  0.1388855      12.67654  
1 1 1 9   2   7  o 264.293 4.6905  37842.42   1342.70  38613.46   1898.98  37071.58   1898.74  266.922 6.5685  261.534 6.7030  5.387665       9.384840  
1 1 1 9   2   8  o 282.284 4.9892  43173.80   1525.42  44794.76   2157.65  41554.00   2156.89  287.470 6.9298  276.866 7.1926  10.60388       9.987782  
1 1 1 9   2   9  o 690.900 11.380  259228.50  8515.94  266703.00  12043.56 251754.41  12043.15 699.865 15.888  679.859 16.355  20.00623       22.80168  
1 1 1 9   2   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   2   11 o 820.936 13.499  367077.41  12002.70 378273.31  16974.61 355882.09  16974.16 831.097 18.857  805.839 19.448  25.25812       27.08895  
1 1 1 9   2   12 o 110.961 3.2108  6670.46    385.882  5983.54    661.619  7024.60    475.048  104.882 5.8475  113.859 3.8521  -8.977097      7.002289  
1 1 1 9   2   13 o 241.318 6.2685  31596.36   1638.42  31596.36   1638.42  0.0000     0.0000   241.318 6.2685  ?       ?       0.000000       6.268514  
1 1 1 9   2   14 o 126.339 3.4622  8649.98    473.758  8741.71    820.000  8604.01    580.436  126.921 5.9650  125.981 4.2538  0.9403687      7.326400  
1 1 1 9   2   15 o 133.674 3.0804  9682.95    445.994  9306.96    629.809  10061.15   631.656  131.009 4.4385  136.220 4.2812  -5.210953      6.166798  
1 1 1 9   2   16 o 162.266 3.4023  14271.74   597.955  14360.37   845.522  14183.07   845.750  162.697 4.7981  161.688 4.8294  1.009308       6.807745  
1 1 1 9   2   17 o 316.802 5.4230  54489.71   1860.80  55093.69   2633.56  53887.55   2629.59  318.158 7.6424  314.641 7.7162  3.517151       10.86029  
1 1 1 9   2   18 o 17.231  6.7678  92.268     184.646  61.568     242.839  134.345    284.292  18.516  7.5884  21.204  8.3756  -2.688131      11.30196  
1 1 1 9   2   19 o 154.758 4.7520  13002.45   796.531  12973.91   1126.11  13031.03   1126.82  154.394 6.7341  154.735 6.7235  -0.3406830     9.515982  
1 1 1 9   2   20 o 106.896 4.1321  6201.88    478.413  5768.19    725.996  6534.76    636.048  102.713 6.5601  109.645 5.3559  -6.932030      8.468810  
1 1 1 9   2   21 o 122.395 4.5752  8140.46    606.513  9254.56    875.126  7110.70    841.348  130.316 6.2002  113.950 6.8488  16.36580       9.238391  
1 1 1 9   2   22 o 23.305  8.6909  228.997    294.220  131.109    444.009  305.629    392.851  25.085  10.269  26.854  10.037  -1.768686      14.35912  
1 1 1 9   2   23 o 105.134 3.1581  6004.29    359.615  5659.66    500.904  6370.85    516.605  101.906 4.5382  108.138 4.4107  -6.232262      6.328515  
1 1 1 9   2   24 o 73.983  3.3330  2978.40    267.078  2750.26    368.631  3230.48    387.484  70.746  4.8399  76.733  4.6848  -5.986938      6.735837  
1 1 1 9   2   25 o 73.302  3.2769  2927.45    260.165  3048.94    366.860  2804.53    369.006  74.462  4.5709  71.347  4.8031  3.115150       6.630488  
1 1 1 9   2   26 o 24.499  6.8405  345.554    188.460  221.292    264.381  473.926    268.717  22.113  8.2400  28.554  8.2348  -6.441286      11.64948  
1 1 1 9   2   27 o 75.160  3.3651  3089.09    273.944  3326.02    390.709  2859.98    384.203  77.510  4.6759  71.750  4.9746  5.759750       6.827211  
1 1 1 9   2   28 o 17.539  7.3260  54.087     232.281  3.5202     323.756  107.728    333.450  19.382  8.3875  21.229  8.8149  -1.847670      12.16772  
1 1 1 9   2   29 o 56.681  2.2739  1751.83    139.600  1269.66    376.202  1828.82    150.333  46.095  7.8143  57.891  2.3976  -11.79585      8.173883  
1 1 1 9   2   30 o 70.960  3.9621  2802.78    303.298  2503.51    427.905  3104.92    429.960  65.865  6.0664  73.851  5.4130  -7.985329      8.130276  
1 1 1 9   2   31 o 31.120  7.6317  610.562    255.274  487.568    360.988  733.589    361.036  27.563  9.7186  33.047  9.5493  -5.484024      13.62498  
1 1 1 9   2   32 o 15.662  2.0380  136.752    33.753   135.051    33.906   324.788    356.451  15.557  2.0631  23.307  9.3228  -7.749822      9.548342  
1 1 1 9   2   33 o 23.174  8.2107  364.856    257.962  342.936    365.029  386.724    364.597  23.102  9.3657  23.839  9.4633  -0.7375927     13.31431  
1 1 1 9   2   34 o 22.306  2.0835  276.910    49.754   271.767    369.274  277.005    50.212   21.339  9.0908  22.304  2.1033  -0.9656105     9.330929  
1 1 1 9   2   35 o 24.599  9.7731  517.861    389.159  681.058    548.387  352.302    552.341  25.971  11.072  22.596  10.283  3.374786       15.11038  
1 1 1 9   3   0  o 581.287 13.544  183557.09  8527.41  173914.41  12058.56 193203.00  12060.59 564.833 19.711  595.528 18.698  -30.69434      27.16863  
1 1 1 9   3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   3   2  o 400.443 6.7260  86903.09   2917.19  85184.05   4125.44  88622.30   4125.63  396.313 9.6108  404.243 9.4227  -7.930573      13.45943  
1 1 1 9   3   3  o 524.216 8.7289  148996.00  4956.10  148639.80  7008.98  149352.09  7009.00  523.277 12.367  524.532 12.337  -1.255127      17.46822  
1 1 1 9   3   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   3   5  o 400.103 6.7958  86756.99   2944.99  83927.87   4164.53  89586.99   4165.17  393.371 9.7745  406.436 9.4617  -13.06534      13.60384  
1 1 1 9   3   6  o 390.868 6.6525  82798.60   2816.34  82321.01   3982.85  83276.23   3982.96  389.593 9.4387  391.851 9.3846  -2.257202      13.31012  
1 1 1 9   3   7  o 494.006 8.1613  132317.30  4366.78  125126.50  6175.31  139509.30  6175.83  480.079 11.876  506.985 11.247  -26.90637      16.35647  
1 1 1 9   3   8  o 231.937 4.2693  29142.92   1072.50  29443.60   1517.12  28842.53   1516.37  233.090 6.0093  230.697 6.0687  2.393036       8.540539  
1 1 1 9   3   9  o 214.419 4.0358  24906.88   937.270  25902.62   1325.37  23910.75   1325.63  218.627 5.5971  210.047 5.8269  8.580139       8.079597  
1 1 1 9   3   10 o 233.486 4.2675  29536.98   1079.21  30032.35   1526.48  29041.93   1525.98  235.382 5.9875  231.464 6.0869  3.917435       8.538191  
1 1 1 9   3   11 o 279.590 5.2123  42370.03   1578.40  44030.84   2082.82  40129.55   2419.14  284.934 6.7490  271.923 8.2138  13.01041       10.63087  
1 1 1 9   3   12 o 391.965 8.7344  83448.50   3708.09  78801.10   5788.16  86683.54   4829.20  380.003 14.063  399.116 11.171  -19.11386      17.96030  
1 1 1 9   3   13 o 113.200 3.9658  6944.82    486.233  6944.82    486.233  0.0000     0.0000   113.200 3.9658  ?       ?       0.000000       3.965776  
1 1 1 9   3   14 o 270.563 5.6047  39715.83   1642.45  40864.49   2844.86  39141.53   2011.57  273.971 9.5871  268.473 6.9178  5.498474       11.82230  
1 1 1 9   3   15 o 236.747 4.6374  30396.70   1189.12  30980.60   1576.65  29626.40   1810.91  238.886 6.0936  233.498 7.1605  5.388458       9.402380  
1 1 1 9   3   16 o 195.759 3.8247  20776.29   810.946  20798.31   1149.99  20754.51   1143.73  195.752 5.4240  195.547 5.4001  0.2043152      7.653817  
1 1 1 9   3   17 o 210.087 4.0288  23935.71   916.747  23672.74   1300.06  24195.78   1292.92  208.779 5.7492  211.083 5.6552  -2.303558      8.064404  
1 1 1 9   3   18 o 203.765 5.5735  22552.35   1230.05  21548.21   1738.68  23558.52   1740.43  198.852 8.0727  207.976 7.7264  -9.123322      11.17430  
1 1 1 9   3   19 o 60.026  4.5675  1967.05    294.725  1746.61    416.348  2188.46    417.263  56.214  6.9891  63.138  6.1810  -6.924271      9.330175  
1 1 1 9   3   20 o 121.916 3.2480  8060.37    428.884  8254.39    601.178  7859.28    612.034  123.297 4.5017  120.296 4.6974  3.001106       6.506236  
1 1 1 9   3   21 o 215.071 4.1729  25121.36   972.051  24900.13   1294.17  25407.71   1472.39  213.880 5.5866  215.901 6.2965  -2.020355      8.417593  
1 1 1 9   3   22 o 213.752 5.8470  24930.04   1353.66  26163.25   1913.62  23694.88   1915.13  218.227 8.0961  207.518 8.5206  10.70842       11.75364  
1 1 1 9   3   23 o 184.949 5.3440  18688.44   1070.51  19959.72   1512.30  17411.66   1515.56  190.400 7.3333  177.608 7.8785  12.79247       10.76325  
1 1 1 9   3   24 o 99.574  2.9422  5389.60    317.310  4945.67    472.310  5754.79    428.388  95.131  4.5839  102.755 3.8491  -7.624039      5.985621  
1 1 1 9   3   25 o 63.742  3.5414  2222.58    243.532  2016.21    337.264  2447.41    352.021  60.342  5.2115  66.599  4.9148  -6.257336      7.163453  
1 1 1 9   3   26 o 102.826 2.9830  5761.56    332.226  5872.96    489.929  5666.73    452.033  103.450 4.3725  101.697 4.1038  1.752739       5.996722  
1 1 1 9   3   27 o 14.475  6.3301  -30.9736   188.500  229.557    270.189  -278.0325  263.111  22.294  8.3256  14.017  6.6180  8.277247       10.63553  
1 1 1 9   3   28 o 52.538  4.7161  1541.90    265.508  1500.76    368.780  1586.18    382.570  50.987  6.8513  52.412  6.9075  -1.425148      9.728994  
1 1 1 9   3   29 o 76.849  3.7449  3258.08    311.706  2905.18    435.931  3627.27    445.875  71.529  5.6734  80.283  5.1549  -8.754135      7.665573  
1 1 1 9   3   30 o 67.647  4.0607  2551.49    296.144  2680.82    418.839  2422.20    418.784  68.410  5.7047  64.796  6.0366  3.613884       8.305704  
1 1 1 9   3   31 o 25.582  1.3775  356.887    38.026   12.173     347.816  361.057    38.255   19.319  8.5190  25.731  1.3776  -6.412016      8.629631  
1 1 1 9   3   32 o 54.420  4.8742  1735.04    284.253  1663.96    402.035  1806.08    401.955  50.785  7.5377  53.361  7.1333  -2.575588      10.37790  
1 1 1 9   3   33 o 28.934  1.1457  455.613    35.906   461.800    36.081   -177.4469  364.993  29.131  1.1436  16.656  7.8426  12.47489       7.925549  
1 1 1 9   3   34 o 17.722  7.5766  123.966    258.136  53.584     364.293  194.943    365.830  18.507  8.3948  20.248  8.8377  -1.741205      12.18919  
1 1 1 9   3   35 o 17.914  8.2269  32.760     364.265  -2.9189    530.457  64.598     501.093  19.619  9.3027  19.837  9.2925  -0.2181091     13.14880  
1 1 1 9   4   0  o 620.253 20.625  209828.20  13856.16 0.0000     0.0000   209828.20  13856.16 ?       ?       620.253 20.625  0.000000       20.62547  
1 1 1 9   4   1  o 538.422 10.082  157256.80  5879.35  166294.09  7201.23  139189.80  10181.88 553.483 12.012  505.538 18.595  47.94489       22.13787  
1 1 1 9   4   2  o 463.921 7.8231  116667.80  3930.89  114354.60  5559.09  118981.10  5559.14  459.067 11.180  468.279 10.961  -9.212494      15.65681  
1 1 1 9   4   3  o 397.458 6.6961  85609.88   2882.60  86232.08   4076.64  84987.71   4076.58  398.763 9.4388  395.871 9.5076  2.891571       13.39726  
1 1 1 9   4   4  o 271.963 4.8458  40069.75   1427.40  40066.60   2018.54  40072.91   2018.74  271.902 6.8542  271.924 6.8543  -0.2142334E-01 9.693367  
1 1 1 9   4   5  o 662.016 10.943  237798.20  7846.71  248505.20  11097.09 227091.91  11096.77 676.163 15.153  646.263 15.853  29.90002       21.93001  
1 1 1 9   4   6  o 635.600 10.478  219183.50  7212.94  221078.09  10200.69 217289.00  10200.58 637.763 14.767  632.254 14.896  5.509216       20.97513  
1 1 1 9   4   7  o 457.033 7.6397  113236.40  3781.74  113214.50  5348.29  113258.30  5348.07  456.751 10.811  456.840 10.808  -0.8862305E-01 15.28724  
1 1 1 9   4   8  f 467.387 7.8342  118443.50  3965.88  120263.20  5608.78  116623.90  5608.42  470.692 11.002  463.499 11.172  7.193512       15.67951  
1 1 1 9   4   9  o 592.654 9.8404  190615.09  6316.62  186039.91  8933.10  195190.20  8933.00  584.850 14.102  599.121 13.766  -14.27094      19.70735  
1 1 1 9   4   10 o 653.776 10.792  232177.00  7641.77  236847.50  10807.33 227506.80  10806.86 659.353 15.133  646.141 15.442  13.21167       21.62097  
1 1 1 9   4   11 o 490.567 8.1518  130604.80  4331.32  134331.80  6125.76  126878.70  6125.06  497.017 11.379  482.974 11.709  14.04324       16.32754  
1 1 1 9   4   12 o 161.610 3.8326  14152.19   670.864  14483.45   1157.97  13984.84   823.061  163.400 6.5430  160.627 4.7309  2.773224       8.074146  
1 1 1 9   4   13 o 50.804  3.3466  1404.58    183.119  1449.15    212.953  1278.13    358.734  51.568  3.8402  48.006  7.1147  3.562504       8.084945  
1 1 1 9   4   14 o 79.410  3.9174  3418.01    336.935  3474.86    475.849  3360.86    477.149  79.841  5.5369  78.503  5.6495  1.337967       7.910334  
1 1 1 9   4   15 o 227.932 4.2487  28169.12   1048.88  28176.96   1481.97  28161.26   1484.73  227.828 6.0057  227.763 6.0186  0.6465149E-01  8.502426  
1 1 1 9   4   16 o 308.026 5.8556  51517.64   1953.59  52105.79   3003.07  51086.14   2572.27  309.235 8.9662  306.432 7.7502  2.803162       11.85149  
1 1 1 9   4   17 o 355.013 8.6830  68698.14   3338.77  66871.52   4720.79  70526.23   4722.68  349.060 12.487  358.594 12.159  -9.534698      17.42896  
1 1 1 9   4   18 o 249.927 6.4690  33963.43   1751.15  32264.86   2475.55  35664.60   2477.44  243.055 9.4037  255.642 8.9475  -12.58682      12.98024  
1 1 1 9   4   19 o 129.375 3.6081  9077.55    505.593  8754.87    868.087  9243.21    621.972  126.866 6.3176  130.504 4.4002  -3.638542      7.698930  
1 1 1 9   4   20 o 51.088  3.8412  1424.11    210.992  1407.16    303.925  1439.89    293.141  50.559  5.6465  51.190  5.3669  -0.6315651     7.790189  
1 1 1 9   4   21 o 251.981 4.9055  34521.98   1338.81  35393.38   1769.80  33356.20   2047.03  254.785 6.4133  246.992 7.6519  7.793228       9.984110  
1 1 1 9   4   22 o 93.008  4.4720  4705.49    450.500  5055.19    632.300  4344.96    642.017  96.029  6.1110  88.882  6.7186  7.146866       9.082093  
1 1 1 9   4   23 o 95.888  3.8682  5002.49    401.742  4798.12    641.412  5134.42    515.351  93.327  6.3837  96.882  4.9275  -3.554871      8.064246  
1 1 1 9   4   24 o 111.003 3.1608  6701.86    380.018  6932.62    530.084  6457.86    545.083  112.681 4.3433  108.694 4.6301  3.987106       6.348398  
1 1 1 9   4   25 o 113.422 3.1596  7006.10    388.144  6700.58    541.027  7330.10    557.164  110.598 4.5165  115.697 4.4462  -5.099083      6.337813  
1 1 1 9   4   26 o 62.181  3.5623  2119.21    238.916  1860.19    334.648  2388.48    341.204  57.782  5.4102  65.708  4.8281  -7.926701      7.251248  
1 1 1 9   4   27 o 18.314  6.9715  139.327    191.498  168.881    274.356  111.250    267.415  21.085  8.2593  19.766  8.0153  1.318407       11.50916  
1 1 1 9   4   28 o 32.308  6.6207  611.055    223.891  384.772    288.992  950.774    354.094  26.020  8.7125  39.745  8.4837  -13.72517      12.16064  
1 1 1 9   4   29 o 48.362  2.1557  1274.50    112.919  1275.29    118.333  1266.47    377.658  48.362  2.2591  46.003  7.8620  2.359413       8.180096  
1 1 1 9   4   30 o 75.545  3.0387  3136.09    248.633  3608.24    447.754  2925.60    298.960  79.771  5.2110  72.569  3.8170  7.201660       6.459359  
1 1 1 9   4   31 o 52.912  4.8719  1605.88    276.072  1924.28    388.304  1280.43    392.582  56.845  6.4192  44.853  8.3894  11.99183       10.56358  
1 1 1 9   4   32 o 17.044  7.3657  56.564     248.974  116.226    351.337  -3.6213    352.874  20.020  8.7006  18.528  8.3461  1.492010       12.05643  
1 1 1 9   4   33 o 42.243  6.2319  1119.55    276.568  1048.62    388.482  1192.44    393.826  37.424  9.5519  40.507  9.1877  -3.082470      13.25340  
1 1 1 9   4   34 o 31.725  7.9295  719.025    271.718  784.185    385.043  654.388    383.496  30.475  10.051  27.830  9.9950  2.644266       14.17498  
1 1 1 9   4   35 o 22.002  9.2601  351.148    375.501  1001.66    538.519  -264.4387  523.863  30.379  11.661  17.868  8.6688  12.51088       14.52992  
1 1 1 9   5   0  o 550.862 18.390  165253.80  10972.01 0.0000     0.0000   165253.80  10972.01 ?       ?       550.862 18.390  0.000000       18.38966  
1 1 1 9   5   1  f 645.946 21.458  227652.91  15012.87 0.0000     0.0000   227652.91  15012.87 ?       ?       645.946 21.458  0.000000       21.45841  
1 1 1 9   5   2  o 510.833 8.5547  141481.09  4733.21  145586.30  6693.91  137376.30  6693.62  517.909 11.933  503.061 12.285  14.84879       17.12654  
1 1 1 9   5   3  o 557.880 10.815  168852.20  6534.93  168967.91  8003.40  168620.80  11319.45 557.818 13.247  556.484 18.780  1.334229       22.98211  
1 1 1 9   5   4  o 408.180 6.9439  90296.25   3069.90  87779.12   4341.42  92813.55   4341.56  402.291 9.9637  413.684 9.6896  -11.39285      13.89835  
1 1 1 9   5   5  o 689.243 16.124  258340.80  12036.60 247520.80  17022.55 269160.19  17022.09 673.123 23.349  702.178 22.382  -29.05414      32.34348  
1 1 1 9   5   6  o 477.963 7.9755  123849.60  4128.78  121077.80  5838.83  126621.70  5839.13  472.320 11.414  483.035 11.161  -10.71545      15.96352  
1 1 1 9   5   7  o 587.910 9.6467  187492.50  6142.71  192387.91  8687.37  182597.59  8686.85  595.065 13.479  579.677 13.836  15.38885       19.31607  
1 1 1 9   5   8  o 323.891 5.6540  56847.27   1983.48  55862.50   2805.08  57832.00   2805.06  320.970 8.0688  326.586 7.9300  -5.616150      11.31332  
1 1 1 9   5   9  o 293.838 5.1318  46785.05   1633.23  48987.79   2310.15  44583.83   2309.34  300.597 7.0955  286.751 7.4355  13.84534       10.27783  
1 1 1 9   5   10 o 197.663 3.8195  21166.96   817.708  20237.05   1156.74  22095.81   1156.08  193.232 5.5270  201.918 5.2862  -8.686096      7.647982  
1 1 1 9   5   11 o 673.070 11.049  246301.59  8055.02  255578.80  11392.05 237026.20  11390.99 684.375 15.369  658.872 15.962  25.50348       22.15821  
1 1 1 9   5   12 o 335.871 8.1964  61253.61   2981.71  64760.38   4217.65  57749.74   4215.90  344.943 11.289  325.639 11.953  19.30408       16.44138  
1 1 1 9   5   13 o 129.251 3.0558  9051.17    427.783  8688.55    588.371  9457.83    623.074  126.607 4.2906  132.092 4.3551  -5.484276      6.113600  
1 1 1 9   5   14 o 478.753 10.244  124882.50  5311.75  125858.90  5848.82  120286.60  12689.64 480.323 11.243  462.054 25.455  18.26950       27.82673  
1 1 1 9   5   15 o 169.767 3.5360  15621.00   650.185  15573.88   923.198  15667.37   915.848  169.438 5.0305  169.949 4.9755  -0.5109253     7.075416  
1 1 1 9   5   16 o 269.822 6.0164  39536.75   1758.28  40003.37   1963.09  37644.08   3953.63  271.322 6.6801  261.324 14.020  9.997650       15.52973  
1 1 1 9   5   17 o 67.399  2.8763  2461.84    209.971  2401.08    380.749  2488.39    251.705  66.290  5.3485  67.664  3.4459  -1.373413      6.362464  
1 1 1 9   5   18 o 104.326 4.1454  5903.94    468.409  5960.77    660.682  5846.51    664.193  104.578 5.8564  103.557 5.9466  1.020790       8.346222  
1 1 1 9   5   19 o 130.363 3.1263  9213.51    441.431  10045.86   628.424  8402.77    620.214  136.061 4.2643  124.417 4.6025  11.64420       6.274330  
1 1 1 9   5   20 o 37.825  4.8243  789.674    193.144  841.395    279.902  742.660    266.859  38.720  6.9285  36.305  7.0406  2.415344       9.877958  
1 1 1 9   5   21 o 156.804 3.3795  13340.66   573.955  13810.24   811.121  12869.76   812.270  159.400 4.6982  153.855 4.8744  5.544693       6.769953  
1 1 1 9   5   22 o 94.770  3.2302  4875.19    331.569  5074.63    454.800  4648.91    484.420  96.598  4.3469  92.282  4.8637  4.315613       6.523184  
1 1 1 9   5   23 o 58.569  2.7950  1862.25    177.306  1856.45    449.610  1863.32    192.942  57.616  7.3740  58.493  3.0561  -0.8763847     7.982154  
1 1 1 9   5   24 o 79.617  4.3176  3470.80    370.932  3825.24    491.297  3000.88    565.690  83.326  5.4742  73.276  7.2216  10.04992       9.061861  
1 1 1 9   5   25 o 82.079  3.2506  3670.31    288.976  3610.28    398.536  3736.86    419.626  81.048  4.5585  82.418  4.7204  -1.369774      6.562183  
1 1 1 9   5   26 o 64.738  3.5242  2296.04    246.180  2121.68    339.461  2489.47    357.546  61.826  5.1152  67.049  4.9586  -5.223373      7.124127  
1 1 1 9   5   27 o 53.909  2.5678  1582.81    149.929  1471.27    168.537  2005.93    328.242  51.833  3.0151  59.986  5.1005  -8.153515      5.925008  
1 1 1 9   5   28 o 51.389  4.5207  1472.15    249.056  1433.41    328.415  1524.58    382.082  50.093  6.1844  51.293  7.0649  -1.200665      9.389300  
1 1 1 9   5   29 o 58.064  4.4882  1885.38    280.071  1813.41    387.557  1964.04    405.192  55.984  6.5132  58.276  6.5318  -2.292645      9.224262  
1 1 1 9   5   30 o 41.898  6.0364  1022.46    266.027  1021.37    371.358  1023.62    381.275  40.432  8.7351  40.346  8.9584  0.8606720E-01  12.51223  
1 1 1 9   5   31 o 19.731  1.9915  214.771    41.977   215.166    42.277   187.261    352.975  19.747  2.0045  21.922  9.0832  -2.175600      9.301768  
1 1 1 9   5   32 o 44.492  2.3455  1093.67    112.630  901.233    382.635  1111.93    117.851  35.080  9.7299  44.828  2.4364  -9.747707      10.03031  
1 1 1 9   5   33 o 48.619  5.4528  1434.34    282.193  1548.89    397.958  1318.50    400.213  47.868  7.9550  43.046  8.8788  4.821999       11.92119  
1 1 1 9   5   34 o 15.464  6.8863  17.126     232.819  80.309     365.004  -26.2135   302.302  18.815  8.4806  16.470  7.5381  2.345163       11.34654  
1 1 1 9   5   35 o 19.138  8.4854  155.593    349.750  126.109    482.943  188.111    507.191  20.181  9.3409  20.912  9.6419  -0.7315540     13.42455  
1 1 1 9   6   0  o 223.701 4.1692  27108.10   1010.15  26851.36   1428.58  27364.83   1428.55  222.607 5.9251  224.726 5.8691  -2.119537      8.339877  
1 1 1 9   6   1  o 342.509 5.8483  63565.68   2169.56  65545.70   3068.26  61585.77   3068.18  347.713 8.1471  337.034 8.4050  10.67868       11.70549  
1 1 1 9   6   2  o 454.780 7.6634  112108.60  3774.78  110388.80  5338.31  113828.50  5338.36  451.065 10.927  458.051 10.760  -6.986542      15.33557  
1 1 1 9   6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   6   4  o 126.118 2.8349  8614.93    387.251  8824.27    547.896  8405.97    547.416  127.634 3.9633  124.571 4.0572  3.062607       5.671791  
1 1 1 9   6   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   6   6  o 727.764 13.665  287733.41  10771.03 283454.09  13191.52 296293.00  18656.69 721.735 16.875  736.275 23.395  -14.53925      28.84612  
1 1 1 9   6   7  o 406.721 6.7907  89658.83   2991.45  93447.92   4231.00  85871.39   4230.08  415.068 9.4114  397.858 9.8164  17.20981       13.59908  
1 1 1 9   6   8  o 278.577 4.9752  42047.51   1501.15  41398.90   2123.16  42695.86   2122.74  276.350 7.0934  280.650 6.9833  -4.299713      9.954020  
1 1 1 9   6   9  o 455.075 7.6833  112298.40  3787.04  114271.00  5355.99  110326.20  5355.39  458.765 10.779  450.756 10.969  8.008759       15.37897  
1 1 1 9   6   10 o 347.326 6.0065  65393.30   2259.58  65258.06   3196.02  65528.45   3195.03  346.798 8.5087  347.518 8.4885  -0.7192993     12.01879  
1 1 1 9   6   11 o 440.448 8.4947  105304.90  4052.41  99678.46   7017.51  108119.80  4963.68  427.427 15.158  446.054 10.274  -18.62720      18.31211  
1 1 1 9   6   12 o 147.020 3.6398  11711.74   579.595  12347.52   711.754  10460.28   998.581  150.941 4.3537  138.858 6.6396  12.08257       7.939688  
1 1 1 9   6   13 o 320.241 5.5017  55621.23   1908.29  53321.26   2697.72  57924.65   2699.74  313.298 7.9500  326.581 7.6324  -13.28366      11.02072  
1 1 1 9   6   14 o 146.069 3.7350  11564.08   590.906  11062.35   727.993  12533.03   1011.68  142.831 4.7058  151.960 6.1467  -9.128906      7.741225  
1 1 1 9   6   15 o 79.597  3.2721  3433.58    282.091  3590.92    479.692  3350.40    348.773  81.163  5.4890  78.503  4.1163  2.659683       6.860973  
1 1 1 9   6   16 o 209.875 5.6720  23913.22   1289.34  24081.47   1822.68  23744.71   1824.12  210.355 8.0000  208.871 8.0632  1.484131       11.35844  
1 1 1 9   6   17 o 224.259 5.9374  27319.04   1442.17  25748.23   2037.67  28895.60   2041.40  217.344 8.6560  230.324 8.1831  -12.97975      11.91172  
1 1 1 9   6   18 o 185.791 3.6830  18718.02   741.130  19329.59   1049.70  18110.14   1046.54  188.686 5.1364  182.623 5.2909  6.062912       7.374020  
1 1 1 9   6   19 f 205.301 4.2128  22870.91   936.761  22707.83   1251.74  23078.50   1412.30  204.405 5.6540  205.973 6.3306  -1.568314      8.487885  
1 1 1 9   6   20 o 53.352  3.7007  1551.63    212.523  1370.04    302.942  1727.60    298.219  49.869  5.7116  56.174  4.9521  -6.305355      7.559534  
1 1 1 9   6   21 o 247.034 4.5099  33160.89   1206.68  33431.63   1705.86  32889.74   1707.15  247.626 6.3603  245.596 6.4177  2.029999       9.035492  
1 1 1 9   6   22 o 120.688 3.2118  7906.31    419.832  7438.97    580.656  8418.26    607.733  116.925 4.5850  124.393 4.5107  -7.467789      6.431864  
1 1 1 9   6   23 o 78.646  2.7981  3357.86    238.345  3398.16    387.559  3333.34    302.263  78.827  4.5588  78.298  3.5642  0.5285645      5.786748  
1 1 1 9   6   24 o 90.249  4.4106  4448.83    431.135  4617.18    600.159  4269.31    619.746  91.393  6.0980  87.723  6.5705  3.670135       8.964191  
1 1 1 9   6   25 o 177.901 5.2481  17408.63   1011.23  17386.77   1424.76  17430.82   1435.48  176.405 7.4569  176.593 7.5051  -0.1881866     10.57978  
1 1 1 9   6   26 o 19.135  7.0256  168.287    190.911  69.582     254.960  294.261    288.034  18.714  7.7341  24.207  8.6654  -5.493095      11.61487  
1 1 1 9   6   27 o 74.472  3.5029  3035.52    282.545  2965.19    384.500  3118.08    416.583  73.088  4.8853  74.848  5.1704  -1.760368      7.113300  
1 1 1 9   6   28 o 56.995  4.1982  1801.90    257.339  1646.31    339.354  2012.44    394.761  53.838  5.9173  59.442  6.2239  -5.604019      8.587841  
1 1 1 9   6   29 f 16.877  7.2504  14.066     238.455  197.217    326.696  -194.7613  348.845  22.373  8.9337  17.454  8.0287  4.918283       12.01127  
1 1 1 9   6   30 o 60.040  4.4513  2024.07    287.408  1743.58    398.754  2327.34    414.622  54.353  6.9312  63.445  6.1092  -9.091869      9.239245  
1 1 1 9   6   31 o 35.679  6.9426  781.729    258.637  453.592    362.869  1120.56    368.738  26.809  9.7098  41.818  8.4321  -15.00911      12.86002  
1 1 1 9   6   32 o 30.538  7.8274  624.109    260.098  731.890    366.330  514.540    369.356  31.490  9.7447  26.827  9.7839  4.662289       13.80885  
1 1 1 9   6   33 o 28.344  8.1529  565.487    263.709  309.471    370.455  828.491    375.476  22.562  9.3234  32.687  9.8169  -10.12512      13.53869  
1 1 1 9   6   34 o 20.219  7.9986  256.873    259.639  251.721    365.328  262.131    369.071  21.004  8.9974  21.181  9.0576  -0.1775455     12.76682  
1 1 1 9   6   35 o 26.186  9.4812  582.003    345.951  627.331    452.191  518.026    537.221  25.900  10.451  24.189  10.630  1.710949       14.90649  
1 1 1 9   7   0  o 384.095 6.5353  79949.48   2718.80  83090.81   3845.17  76808.84   3844.75  391.443 9.0694  376.334 9.4324  15.10840       13.08527  
1 1 1 9   7   1  o 647.044 21.491  228390.41  15061.08 0.0000     0.0000   228390.41  15061.08 ?       ?       647.044 21.491  0.000000       21.49078  
1 1 1 9   7   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   7   3  o 589.612 9.7369  188541.09  6218.07  190494.59  8793.71  186587.70  8793.66  592.235 13.709  586.112 13.852  6.122437       19.48902  
1 1 1 9   7   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   7   5  o 212.586 3.9542  24480.43   910.456  24432.62   1287.49  24528.27   1287.67  212.351 5.5978  212.767 5.5877  -0.4154663     7.909334  
1 1 1 9   7   6  o 465.029 7.7584  117231.50  3907.72  112922.40  5526.25  121540.90  5526.44  456.151 11.185  473.274 10.781  -17.12268      15.53529  
1 1 1 9   7   7  o 180.601 3.6033  17667.71   704.842  17668.38   997.072  17667.05   996.523  180.583 5.0978  180.576 5.0952  0.6759644E-02  7.207483  
1 1 1 9   7   8  o 504.831 8.4760  138212.70  4634.55  142192.59  6554.54  134233.50  6553.96  511.704 11.826  497.136 12.172  14.56778       16.97113  
1 1 1 9   7   9  o 429.670 7.2781  100097.70  3387.08  99165.40   4790.59  101029.50  4789.50  427.405 10.349  431.414 10.250  -4.008270      14.56558  
1 1 1 9   7   10 o 210.109 3.9160  23917.24   891.162  24434.33   1262.00  23402.94   1258.59  212.326 5.4877  207.793 5.5922  4.532791       7.834997  
1 1 1 9   7   11 o 268.316 5.4386  39026.21   1580.52  37033.77   2734.93  40025.29   1936.66  261.102 9.6709  271.667 6.5818  -10.56506      11.69811  
1 1 1 9   7   12 o 310.329 6.1343  52232.65   2061.85  55547.25   2526.35  45620.79   3568.12  319.924 7.2908  289.488 11.380  30.43549       13.51512  
1 1 1 9   7   13 o 178.608 3.5916  17286.93   694.791  17514.99   983.539  17059.77   981.630  179.725 5.0526  177.372 5.1097  2.353500       7.185893  
1 1 1 9   7   14 f 143.104 3.6870  11099.09   571.466  11172.44   703.877  10957.25   978.842  143.547 4.5272  142.074 6.3610  1.472229       7.807591  
1 1 1 9   7   15 o 188.216 5.2583  19220.58   1071.94  18918.43   1515.46  19523.13   1516.44  186.550 7.5003  189.519 7.3876  -2.968719      10.52764  
1 1 1 9   7   16 o 81.546  3.3579  3604.29    296.576  3431.54    493.774  3701.78    370.940  79.289  5.7897  82.517  4.1638  -3.227638      7.131495  
1 1 1 9   7   17 o 134.546 3.6276  9814.73    528.641  9509.37    907.997  9971.31    650.202  132.282 6.3375  135.577 4.4278  -3.295517      7.731043  
1 1 1 9   7   18 o 62.651  2.4097  2126.89    163.514  1946.30    309.492  2196.82    192.588  59.688  4.8287  63.667  2.7928  -3.978836      5.578178  
1 1 1 9   7   19 o 41.184  4.2869  930.360    188.421  824.028    266.442  1036.73    266.493  38.369  6.6525  43.285  5.8329  -4.915630      8.847479  
1 1 1 9   7   20 o 41.404  2.2327  931.699    99.755   1142.63    274.783  899.680    107.059  45.485  5.7031  40.670  2.4417  4.814610       6.203814  
1 1 1 9   7   21 o 203.326 3.9529  22447.55   870.519  23210.20   1230.55  21683.53   1231.65  206.498 5.5019  199.554 5.6985  6.943619       7.921072  
1 1 1 9   7   22 o 131.398 3.1306  9371.04    445.534  9816.96    628.552  8920.76    631.618  134.353 4.3194  128.043 4.5544  6.309616       6.276910  
1 1 1 9   7   23 o 146.230 3.3983  11622.76   538.227  11380.74   734.175  11903.96   791.375  144.459 4.6923  147.685 4.9474  -3.225922      6.818650  
1 1 1 9   7   24 o 139.218 4.7266  10600.91   712.714  10475.93   1015.75  10722.12   1000.29  137.665 6.8123  139.348 6.6276  -1.683899      9.504307  
1 1 1 9   7   25 o 152.145 4.8507  12704.86   799.336  12775.20   1123.88  12632.86   1137.10  151.569 6.8461  150.651 6.9688  0.9179993      9.768960  
1 1 1 9   7   26 o 53.083  2.7087  1537.87    155.215  1387.66    173.138  2152.79    350.306  50.339  3.1921  62.235  5.2458  -11.89672      6.140622  
1 1 1 9   7   27 o 20.851  7.3445  222.073    206.113  253.753    275.285  181.656    310.935  22.924  8.4335  22.168  8.7584  0.7561817      12.15868  
1 1 1 9   7   28 o 66.234  2.8198  2396.33    202.284  2765.11    369.797  2238.86    241.642  70.392  4.8804  63.777  3.5117  6.614723       6.012524  
1 1 1 9   7   29 o 19.409  7.6754  144.125    239.008  249.660    327.681  24.152     349.378  23.359  9.0605  20.135  8.7133  3.223858       12.57039  
1 1 1 9   7   30 o 17.168  7.3387  31.181     242.132  -56.2709   332.937  129.367    352.778  18.455  8.2254  21.539  9.0154  -3.083715      12.20382  
1 1 1 9   7   31 o 35.440  2.0672  688.958    79.006   628.523    362.176  691.978    80.955   30.517  9.7243  35.507  2.1146  -4.989954      9.951534  
1 1 1 9   7   32 o 28.347  8.0273  544.411    257.631  930.466    362.611  150.880    366.105  36.169  9.2266  20.708  8.9403  15.46165       12.84753  
1 1 1 9   7   33 o 23.386  1.7524  301.231    44.065   257.131    360.736  301.899    44.398   21.664  9.0950  23.409  1.7640  -1.744888      9.264446  
1 1 1 9   7   34 o 17.720  7.5117  132.794    249.962  15.909     342.823  265.467    365.241  17.718  8.0780  21.190  9.0346  -3.471806      12.11931  
1 1 1 9   7   35 o 19.076  8.3659  167.161    331.321  181.266    429.780  146.500    520.170  20.231  9.1528  20.657  9.6070  -0.4261494     13.26907  
1 1 1 9   8   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   8   1  o 74.818  2.4131  3031.72    195.548  3111.43    277.346  2952.93    275.754  75.792  3.3786  73.836  3.4481  1.955971       4.827454  
1 1 1 9   8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   8   3  o 465.499 7.9265  117461.60  3996.39  111254.60  5651.56  123669.40  5651.94  452.790 11.524  477.434 10.930  -24.64398      15.88278  
1 1 1 9   8   4  o 491.256 8.0107  130825.20  4262.33  124204.40  6027.54  137447.41  6028.17  478.397 11.633  503.307 11.058  -24.90936      16.05000  
1 1 1 9   8   5  o 575.752 11.041  179874.91  6884.88  174278.91  8431.71  191071.00  11926.40 566.417 13.744  592.326 18.590  -25.90845      23.11884  
1 1 1 9   8   6  o 409.843 6.9744  91040.89   3095.96  91896.29   4378.45  90185.59   4378.24  411.596 9.8215  407.741 9.9139  3.855377       13.95523  
1 1 1 9   8   7  o 386.623 6.5344  81012.73   2736.31  81419.45   3869.97  80606.10   3869.50  387.443 9.2221  385.500 9.2675  1.943024       13.07413  
1 1 1 9   8   8  o 603.095 10.054  197372.70  6567.46  197440.80  9287.99  197304.59  9287.59  602.591 14.231  602.383 14.235  0.2086792      20.12842  
1 1 1 9   8   9  o 180.763 3.5144  17700.29   688.058  18818.65   974.800  16589.87   971.330  186.363 4.8293  174.973 5.1254  11.38947       7.042139  
1 1 1 9   8   10 o 867.047 16.311  410106.00  15318.10 417692.09  18761.37 394936.69  26530.05 873.512 19.830  844.241 29.014  29.27100       35.14289  
1 1 1 9   8   11 o 290.776 7.2676  45869.36   2288.86  45940.71   3236.75  45797.99   3237.12  290.746 10.278  290.292 10.296  0.4537354      14.54803  
1 1 1 9   8   12 o 320.135 6.3651  55593.53   2207.04  54061.76   2703.24  58655.87   3822.21  315.552 7.9094  328.332 10.748  -12.78015      13.34468  
1 1 1 9   8   13 o 436.425 7.3667  103428.80  3482.19  105326.50  4924.88  101531.70  4924.24  439.830 10.338  431.792 10.529  8.038849       14.75601  
1 1 1 9   8   14 o 476.146 11.345  123711.50  5850.75  120319.10  8273.45  127105.20  8274.97  467.683 16.333  480.892 15.887  -13.20892      22.78531  
1 1 1 9   8   15 o 216.334 5.7865  25402.90   1355.86  25996.84   1920.38  24812.55   1914.57  218.608 8.1106  213.551 8.2775  5.057251       11.58874  
1 1 1 9   8   16 o 157.881 4.7461  13522.72   811.598  13588.23   1147.13  13457.06   1148.41  158.126 6.6979  157.357 6.7382  0.7683716      9.500800  
1 1 1 9   8   17 o 223.654 4.2104  27130.84   1019.94  27340.80   1443.60  26921.57   1441.22  224.346 5.9410  222.615 5.9773  1.730835       8.427543  
1 1 1 9   8   18 o 98.938  2.9559  5305.56    316.755  5374.54    450.463  5238.10    445.496  99.537  4.1784  98.265  4.1858  1.271767       5.914343  
1 1 1 9   8   19 o 148.750 3.2861  11997.34   529.424  11069.65   746.422  12936.54   751.037  142.782 4.8266  154.381 4.4916  -11.59840      6.593185  
1 1 1 9   8   20 o 83.590  3.0468  3788.63    275.843  3883.24    386.974  3690.89    393.305  84.579  4.2243  82.330  4.4269  2.249031       6.118969  
1 1 1 9   8   21 o 126.152 3.2250  8633.62    440.645  8400.47    614.636  8880.18    632.061  124.327 4.5644  127.827 4.5653  -3.500443      6.455653  
1 1 1 9   8   22 o 92.022  2.7974  4594.21    278.817  5126.28    422.137  4182.48    371.343  97.112  4.0134  87.727  3.9082  9.385559       5.601860  
1 1 1 9   8   23 o 47.254  1.7804  1210.51    91.121   1644.86    278.791  1158.56    96.416   54.711  4.7519  46.225  1.9258  8.485672       5.127316  
1 1 1 9   8   24 o 85.978  3.2161  4021.96    299.498  3710.85    412.508  4368.77    435.537  82.251  4.6495  89.296  4.5179  -7.045006      6.482974  
1 1 1 9   8   25 o 170.448 5.1365  15972.40   948.265  16360.14   1334.80  15577.31   1347.39  171.275 7.1954  166.952 7.4512  4.322845       10.35829  
1 1 1 9   8   26 o 94.454  4.4125  4898.84    451.419  4899.10    627.368  4898.56    650.043  93.635  6.2215  93.519  6.4572  0.1159058      8.966692  
1 1 1 9   8   27 o 51.524  1.9088  1442.26    106.521  797.248    308.506  1529.56    113.502  36.717  7.9849  53.054  1.9752  -16.33686      8.225616  
1 1 1 9   8   28 o 64.403  3.9161  2291.96    271.868  2459.50    361.331  2073.36    412.738  66.285  5.0714  60.232  6.4259  6.053165       8.186066  
1 1 1 9   8   29 f 76.392  3.7735  3221.66    312.225  3166.07    432.983  3281.89    450.654  74.831  5.3781  76.119  5.5032  -1.288109      7.694737  
1 1 1 9   8   30 o 22.252  8.0355  267.486    248.255  -102.1752  339.663  691.417    363.742  18.067  8.1588  32.807  9.6155  -14.73926      12.61050  
1 1 1 9   8   31 o 40.908  6.2515  1002.54    268.194  1192.24    371.750  796.651    387.295  43.261  8.2346  34.053  9.9051  9.207874       12.88101  
1 1 1 9   8   32 o 16.077  7.1348  -1.4893    247.795  -27.6005   346.040  25.992     355.002  18.077  8.1925  18.893  8.4517  -0.8163223     11.77065  
1 1 1 9   8   33 o 23.573  8.1409  382.170    252.599  515.182    347.147  232.500    368.243  26.213  9.4966  21.375  9.0915  4.838095       13.14687  
1 1 1 9   8   34 o 23.006  8.5312  385.423    282.716  434.033    429.661  348.307    375.444  23.839  9.9613  22.459  9.3418  1.380733       13.65637  
1 1 1 9   8   35 o 24.753  9.3121  507.591    339.221  469.714    444.149  560.615    525.511  23.701  10.028  24.670  10.681  -0.9681091     14.65088  
1 1 1 9   9   0  o 446.427 8.4252  108049.40  4073.81  112027.80  4990.23  100100.80  7053.65  454.459 10.138  429.160 15.175  25.29892       18.24984  
1 1 1 9   9   1  o 373.681 6.3049  75667.23   2551.80  76511.63   3608.93  74822.96   3608.66  375.648 8.8701  371.474 8.9691  4.173584       12.61438  
1 1 1 9   9   2  o 598.416 19.913  195111.50  12906.34 0.0000     0.0000   195111.50  12906.34 ?       ?       598.416 19.913  0.000000       19.91269  
1 1 1 9   9   3  o 436.765 7.4441  103396.40  3521.50  100651.40  4980.08  106141.60  4980.23  430.735 10.675  442.346 10.395  -11.61160      14.89972  
1 1 1 9   9   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   9   5  o 702.612 23.309  269721.09  17738.39 269721.09  17738.39 0.0000     0.0000   702.612 23.309  ?       ?       0.000000       23.30924  
1 1 1 9   9   6  o 273.707 4.8329  40587.02   1432.72  39554.14   2026.07  41620.11   2026.28  270.145 6.9245  277.116 6.7510  -6.970886      9.670794  
1 1 1 9   9   7  o 378.516 6.4436  77649.68   2641.70  74489.76   3735.77  80810.11   3736.07  370.580 9.3074  386.006 8.9362  -15.42557      12.90281  
1 1 1 9   9   8  o 697.801 11.269  264370.59  8516.73  257073.41  12044.61 271667.41  12044.34 687.172 16.183  706.508 15.740  -19.33643      22.57486  
1 1 1 9   9   9  o 234.344 4.2583  29752.89   1080.84  29474.76   1529.87  30030.05   1527.22  233.196 6.0571  235.385 5.9904  -2.188614      8.518949  
1 1 1 9   9   10 o 189.059 4.1688  19366.29   853.642  18808.96   1473.18  19648.03   1047.41  186.225 7.3038  190.407 5.0788  -4.181885      8.896049  
1 1 1 9   9   11 o 343.288 6.7333  63918.08   2503.53  66660.45   3067.48  58447.17   4332.60  350.456 8.0813  327.693 12.207  22.76340       14.63967  
1 1 1 9   9   12 o 156.810 3.3335  13322.55   566.164  13094.45   803.739  13547.22   797.650  155.424 4.7745  158.092 4.6584  -2.667786      6.670529  
1 1 1 9   9   13 o 164.909 3.9071  14738.93   697.854  14558.20   854.153  15101.76   1210.25  163.862 4.8127  166.801 6.6989  -2.938980      8.248502  
1 1 1 9   9   14 o 334.502 9.6454  60930.85   3494.54  61054.73   4213.97  60658.06   6253.22  334.424 11.634  331.236 17.492  3.188232       21.00754  
1 1 1 9   9   15 o 347.355 8.5104  65667.95   3201.81  65670.61   4527.14  65665.27   4528.95  346.494 12.063  346.478 12.068  0.1559448E-01  17.06357  
1 1 1 9   9   16 o 213.762 4.0945  24778.28   947.973  24984.71   1342.00  24572.69   1339.28  214.510 5.7761  212.731 5.8126  1.779633       8.194472  
1 1 1 9   9   17 o 336.992 5.8420  61684.28   2132.32  60898.50   3016.11  62469.50   3015.02  334.325 8.3293  338.636 8.2203  -4.311401      11.70256  
1 1 1 9   9   18 o 249.422 4.5713  33759.19   1234.93  34318.68   1746.02  33199.15   1746.89  251.232 6.4166  247.083 6.5276  4.149033       9.153221  
1 1 1 9   9   19 o 70.616  2.2549  2702.07    172.461  2978.45    349.559  2613.15    198.272  73.951  4.3838  69.437  2.6363  4.513893       5.115447  
1 1 1 9   9   20 o 51.169  3.6794  1427.80    202.555  1326.48    279.296  1540.22    294.195  49.111  5.3365  52.983  5.1934  -3.871353      7.446447  
1 1 1 9   9   21 o 74.742  3.1459  3030.48    254.669  2936.24    355.626  3129.68    364.866  73.369  4.4969  75.760  4.4663  -2.390350      6.337949  
1 1 1 9   9   22 o 85.739  3.0390  3989.70    282.216  4128.06    396.573  3847.74    401.705  87.128  4.2024  83.983  4.4319  3.145042       6.107510  
1 1 1 9   9   23 o 93.882  2.9500  4786.72    299.963  4720.18    430.916  4849.28    417.810  93.081  4.2742  94.370  4.0877  -1.288246      5.914240  
1 1 1 9   9   24 o 167.034 3.5808  15197.60   647.815  14857.66   908.706  15548.92   923.778  164.666 5.0951  168.465 5.0628  -3.799438      7.182690  
1 1 1 9   9   25 o 175.841 5.2237  17009.51   994.884  17752.04   1401.70  16255.70   1412.31  178.353 7.2561  170.388 7.6528  7.965225       10.54594  
1 1 1 9   9   26 o 40.737  1.9708  901.235    86.956   710.992    380.933  911.693    89.314   34.538  9.7541  40.970  2.0127  -6.432117      9.959622  
1 1 1 9   9   27 o 12.615  5.8721  -167.5439  195.020  -207.2068  260.839  -117.2685  293.669  14.702  6.8259  16.935  7.6226  -2.233753      10.23220  
1 1 1 9   9   28 o 32.296  6.7175  612.427    227.327  624.861    294.923  594.226    356.827  32.151  8.3829  31.289  9.6067  0.8617744      12.75000  
1 1 1 9   9   29 o 59.697  2.8722  1951.76    185.708  1926.48    208.011  2051.06    412.227  59.128  3.2607  59.553  6.4963  -0.4251633     7.268667  
1 1 1 9   9   30 o 28.728  2.5240  454.968    77.740   430.713    79.454   999.060    376.314  27.918  2.6597  39.800  8.9472  -11.88172      9.334112  
1 1 1 9   9   31 o 21.099  1.8503  244.804    41.857   245.698    42.133   177.206    366.348  21.137  1.8593  21.900  9.1781  -0.7629395     9.364517  
1 1 1 9   9   32 o 51.554  5.1793  1575.44    285.291  1503.31    398.394  1651.36    408.729  47.708  7.9926  50.291  7.7529  -2.582680      11.13505  
1 1 1 9   9   33 o 29.624  7.7087  602.007    249.718  672.697    335.437  514.125    374.011  29.822  9.3406  26.074  9.7840  3.748394       13.52676  
1 1 1 9   9   34 o 14.909  6.9358  -98.3293   271.394  -88.7151   405.378  -106.1386  365.353  17.727  8.3213  16.870  7.9126  0.8576317      11.48273  
1 1 1 9   9   35 o 20.997  8.8011  295.497    336.949  817.787    436.393  -475.5637  530.232  29.254  10.640  16.822  8.2780  12.43237       13.48096  
1 1 1 9   10  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   10  1  o 75.984  2.4776  3126.99    203.907  2982.15    288.676  3271.22    288.061  74.200  3.5920  77.713  3.4223  -3.513695      4.961327  
1 1 1 9   10  2  o 685.825 22.748  256737.41  16897.31 0.0000     0.0000   256737.41  16897.31 ?       ?       685.825 22.748  0.000000       22.74751  
1 1 1 9   10  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   10  4  o 220.950 3.9323  26444.34   941.043  25391.84   1330.51  27497.86   1331.16  216.479 5.6746  225.282 5.4555  -8.803055      7.871649  
1 1 1 9   10  5  o 625.870 10.250  212500.59  6948.35  210699.80  9826.36  214301.50  9826.53  622.664 14.570  627.982 14.447  -5.317810      20.51863  
1 1 1 9   10  6  o 472.393 7.9518  120982.60  4068.56  121462.00  5753.87  120503.20  5753.76  473.071 11.230  471.196 11.274  1.874969       15.91248  
1 1 1 9   10  7  o 389.930 6.7027  82409.08   2830.78  83512.12   4003.51  81306.25   4003.13  392.371 9.4205  387.146 9.5467  5.225250       13.41217  
1 1 1 9   10  8  o 478.737 7.9919  124279.30  4143.98  123425.30  5860.72  125133.10  5860.23  476.774 11.349  480.070 11.270  -3.295837      15.99464  
1 1 1 9   10  9  o 221.385 4.0360  26552.31   967.772  28845.04   1372.00  24281.90   1365.30  230.707 5.4906  211.661 5.9555  19.04672       8.100298  
1 1 1 9   10  10 o 406.935 7.8574  89837.63   3463.19  87882.74   5997.19  90815.66   4241.95  401.748 13.782  408.969 9.5764  -7.221313      16.78280  
1 1 1 9   10  11 o 228.839 4.8638  28382.84   1205.52  29894.77   1477.19  25368.07   2085.92  234.814 5.8082  216.137 8.9104  18.67720       10.63628  
1 1 1 9   10  12 o 302.595 5.3140  49645.62   1741.61  48836.04   2463.54  50454.49   2462.48  299.932 7.5835  304.874 7.4573  -4.941620      10.63579  
1 1 1 9   10  13 o 286.350 7.1975  44523.85   2232.28  44694.59   3156.14  44352.94   3157.69  286.518 10.170  285.414 10.215  1.103821       14.41439  
1 1 1 9   10  14 o 160.327 4.7683  13939.39   828.023  14136.35   1168.40  13740.67   1173.62  161.349 6.6858  159.067 6.8121  2.282272       9.544851  
1 1 1 9   10  15 o 138.009 4.3985  10328.56   657.476  9746.90    925.460  10921.30   934.225  133.967 6.3781  141.827 6.0817  -7.859573      8.812860  
1 1 1 9   10  16 o 110.858 3.0171  6660.26    362.265  6445.63    520.682  6861.63    504.348  109.013 4.4099  112.486 4.1396  -3.473160      6.048415  
1 1 1 9   10  17 o 184.991 3.9605  18558.41   793.552  18458.17   1064.63  18683.73   1190.37  184.387 5.3309  185.456 5.9261  -1.068649      7.971019  
1 1 1 9   10  18 f 72.473  2.5394  2846.19    199.328  2584.27    331.464  2994.56    249.477  68.868  4.4679  74.326  3.0990  -5.458145      5.437409  
1 1 1 9   10  19 o 154.417 3.3646  12929.88   562.736  12808.02   798.021  13050.41   793.654  153.584 4.7973  155.037 4.7263  -1.452454      6.734426  
1 1 1 9   10  20 o 84.055  3.0323  3830.94    276.063  3667.24    384.800  4004.55    396.277  82.071  4.3443  85.886  4.2600  -3.814720      6.084452  
1 1 1 9   10  21 o 177.386 3.6155  17079.21   694.641  16704.14   979.735  17458.36   985.028  175.221 5.1624  179.147 5.0766  -3.925720      7.240304  
1 1 1 9   10  22 o 101.657 3.0131  5608.54    331.758  5514.94    464.888  5705.69    473.586  100.696 4.2625  102.422 4.2691  -1.725952      6.032765  
1 1 1 9   10  23 o 39.671  4.3764  867.932    184.915  980.234    257.912  749.137    265.263  41.919  5.8392  36.310  6.9988  5.608814       9.114757  
1 1 1 9   10  24 o 36.857  1.7379  736.670    69.376   843.092    251.014  727.869    72.188   38.657  6.2051  36.633  1.8194  2.023499       6.466301  
1 1 1 9   10  25 o 63.532  2.1393  2191.70    147.212  2141.50    205.021  2245.12    211.508  62.717  3.0181  64.214  3.0411  -1.496868      4.284533  
1 1 1 9   10  26 o 81.505  4.5132  3661.67    396.871  3631.91    548.296  3694.41    575.190  80.494  6.3403  81.071  6.6080  -0.5765991     9.157778  
1 1 1 9   10  27 o 73.001  4.7185  2954.65    371.085  3199.25    510.631  2680.90    540.203  75.297  6.3197  68.365  7.4142  6.931572       9.742146  
1 1 1 9   10  28 o 56.895  2.5561  1765.80    157.515  1778.44    173.731  1707.41    373.371  57.055  2.8113  54.578  6.4403  2.477325       7.027143  
1 1 1 9   10  29 o ?       ?       -336.2761  36.061   -26.7237   321.492  -340.2203  36.290   18.686  8.2169  ?       ?       0.000000       8.216855  
1 1 1 9   10  30 o 36.635  6.7448  800.620    257.770  428.319    355.828  1211.76    373.929  26.942  9.6328  44.489  8.0566  -17.54720      12.55785  
1 1 1 9   10  31 o 42.538  6.0245  1077.78    269.810  1034.04    371.497  1126.61    392.507  39.657  8.8710  41.321  9.0230  -1.663776      12.65341  
1 1 1 9   10  32 o 51.043  5.1252  1542.38    279.520  1523.09    381.228  1564.81    411.058  48.523  7.4954  48.556  8.1016  -0.3328323E-01 11.03705  
1 1 1 9   10  33 o 23.266  1.2461  295.705    31.287   308.282    44.637   283.559    43.865   23.659  1.7545  22.674  1.8010  0.9840469      2.514279  
1 1 1 9   10  34 o 16.267  7.3325  10.094     272.918  -183.1599  411.891  161.343    364.388  17.051  8.1174  19.738  8.7107  -2.686579      11.90660  
1 1 1 9   10  35 o 16.238  7.5727  -67.4561   326.738  -502.2279  422.588  578.785    515.210  14.921  7.3518  24.903  10.677  -9.981441      12.96299  
1 1 1 9   11  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   11  1  o 568.687 13.367  175618.00  8233.14  173388.70  11643.35 177847.41  11643.50 564.275 19.051  571.524 18.810  -7.248657      26.77197  
1 1 1 9   11  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   11  3  f 454.500 8.8042  112002.50  4334.03  113913.40  5307.60  108178.70  7508.12  458.230 10.694  446.109 15.539  12.12103       18.86323  
1 1 1 9   11  4  o 557.118 10.546  168384.91  6363.67  169379.30  7793.36  166395.30  11023.67 558.518 12.883  552.817 18.411  5.700928       22.47073  
1 1 1 9   11  5  o 390.866 6.4188  82792.98   2717.38  82231.78   3842.81  83354.27   3843.10  389.404 9.1112  392.057 9.0503  -2.652344      12.84222  
1 1 1 9   11  6  o 672.106 12.711  245322.50  9252.90  235546.09  11331.88 264880.91  16028.09 658.056 15.899  696.631 21.243  -38.57556      26.53352  
1 1 1 9   11  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   11  8  o 450.065 7.5156  109823.90  3663.62  105842.10  5181.28  113805.30  5181.01  441.553 10.834  457.901 10.447  -16.34830      15.05003  
1 1 1 9   11  9  o 534.642 8.8290  155088.30  5112.65  164802.20  7231.54  145380.70  7229.21  550.675 12.125  517.089 12.908  33.58606       17.70926  
1 1 1 9   11  10 o 280.462 5.7759  42639.45   1754.55  43889.05   3038.76  42014.52   2148.95  284.276 9.8693  278.328 7.1285  5.947998       12.17451  
1 1 1 9   11  11 o 152.304 3.7638  12568.39   620.888  12873.37   762.891  11970.06   1068.54  154.123 4.5701  148.557 6.6410  5.566208       8.061519  
1 1 1 9   11  12 o 459.529 10.970  114950.20  5459.87  113913.20  7721.82  115987.10  7721.01  456.242 15.626  460.421 15.483  -4.178223      21.99763  
1 1 1 9   11  13 o 154.427 5.1232  12932.53   856.906  12557.67   1111.26  13482.38   1345.86  152.096 6.7457  157.328 7.9235  -5.232117      10.40609  
1 1 1 9   11  14 o 328.259 6.6066  58508.65   2348.90  58775.77   4065.77  58374.83   2877.74  328.143 11.440  327.664 8.1087  0.4788208      14.02195  
1 1 1 9   11  15 o 103.743 3.2187  5832.81    361.663  5722.62    456.637  6018.26    592.403  102.735 4.1038  105.318 5.1933  -2.582794      6.619001  
1 1 1 9   11  16 o 168.797 3.5081  15445.36   641.372  15167.85   906.904  15723.03   907.170  167.189 5.0082  170.227 4.9203  -3.038177      7.020794  
1 1 1 9   11  17 o 70.917  2.9930  2725.75    229.893  3035.12    322.965  2408.00    327.313  74.703  4.0062  66.464  4.5747  8.239372       6.080913  
1 1 1 9   11  18 o 158.814 3.3966  13674.52   584.248  13016.54   824.313  14338.73   828.204  154.850 4.9149  162.540 4.7044  -7.690643      6.803492  
1 1 1 9   11  19 o 83.799  3.0465  3806.99    276.510  3739.21    394.171  3872.66    387.992  82.884  4.4066  84.368  4.2597  -1.483887      6.128924  
1 1 1 9   11  20 o 67.224  2.5527  2449.47    185.864  2564.61    326.331  2394.19    226.126  68.583  4.4166  66.445  3.1421  2.137611       5.420232  
1 1 1 9   11  21 o 105.590 3.0135  6047.62    344.645  5612.74    482.219  6501.73    492.755  101.632 4.3807  109.404 4.1584  -7.771210      6.040119  
1 1 1 9   11  22 o 53.265  3.5582  1547.99    204.098  1569.09    281.056  1524.46    296.868  53.450  4.9097  52.620  5.2801  0.8297653      7.210029  
1 1 1 9   11  23 o 60.291  3.3307  1981.89    216.656  2154.41    301.080  1796.61    312.008  62.707  4.4621  57.126  5.0962  5.580433       6.773571  
1 1 1 9   11  24 o 78.750  2.6561  3369.55    226.554  3550.92    367.952  3258.82    287.517  80.530  4.2334  77.361  3.4314  3.169655       5.449419  
1 1 1 9   11  25 o 33.894  5.7578  650.797    203.813  597.700    274.104  716.453    304.805  32.022  7.9419  35.027  8.1822  -3.004986      11.40271  
1 1 1 9   11  26 o 48.018  1.7778  1251.60    92.464   874.745    297.840  1291.80    97.270   38.851  7.3472  48.779  1.8411  -9.928574      7.574376  
1 1 1 9   11  27 o 21.886  8.1694  221.545    260.088  668.174    348.592  -339.2883  390.625  33.316  9.3036  17.526  8.2082  15.78932       12.40691  
1 1 1 9   11  28 o 51.674  4.9562  1498.42    273.987  1325.97    427.138  1618.98    357.140  46.926  8.7252  53.169  6.3258  -6.243504      10.77705  
1 1 1 9   11  29 o 59.488  4.3844  1977.33    280.502  1953.52    386.393  2003.87    407.856  58.239  6.2218  58.829  6.5101  -0.5898476     9.005140  
1 1 1 9   11  30 o 18.142  7.5163  86.727     241.656  -160.2330  331.480  366.867    353.046  17.150  7.8655  25.660  9.5299  -8.510740      12.35658  
1 1 1 9   11  31 o 17.097  7.3343  45.464     243.369  -94.6350   326.127  221.523    365.594  17.355  7.8995  22.512  9.2783  -5.156666      12.18560  
1 1 1 9   11  32 o 18.632  7.5639  157.728    238.423  212.106    311.300  80.569     370.818  20.803  8.5664  19.824  8.7661  0.9788399      12.25674  
1 1 1 9   11  33 o 16.760  7.2238  71.926     238.221  16.607     314.236  146.681    365.289  17.597  7.9061  20.148  8.8115  -2.550489      11.83843  
1 1 1 9   11  34 o 18.331  7.8372  146.144    276.206  -116.5829  416.842  351.788    368.787  17.657  8.3345  22.437  9.2895  -4.780375      12.48039  
1 1 1 9   11  35 o 37.029  9.0277  1071.45    358.795  1431.12    468.540  561.499    557.906  40.502  10.569  24.605  10.822  15.89623       15.12659  
1 1 1 9   12  0  o 636.848 21.155  221133.80  14592.36 221133.80  14592.36 0.0000     0.0000   636.848 21.155  ?       ?       0.000000       21.15530  
1 1 1 9   12  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   12  2  o 37.766  2.3896  775.580    97.243   784.220    138.837  767.260    136.246  37.896  3.4193  37.483  3.3927  0.4128799      4.816882  
1 1 1 9   12  3  o 438.346 8.6518  104179.00  4107.66  109688.40  5030.47  93155.32   7115.73  449.677 10.329  413.938 15.871  35.73895       18.93616  
1 1 1 9   12  4  o 115.803 2.7626  7263.27    346.500  7441.49    489.577  7084.40    490.474  117.208 3.8565  114.361 3.9598  2.847450       5.527409  
1 1 1 9   12  5  o 567.741 10.621  174888.30  6531.38  176990.80  7998.81  170681.59  11313.99 570.884 12.936  559.772 18.661  11.11218       22.70635  
1 1 1 9   12  6  o 300.895 5.1702  49054.04   1684.98  46065.99   2382.36  52044.89   2383.48  291.509 7.5455  309.867 7.1017  -18.35822      10.36188  
1 1 1 9   12  7  o 245.363 4.4625  32615.39   1185.91  32111.26   1677.32  33119.30   1676.95  243.412 6.3621  247.206 6.2632  -3.794037      8.927706  
1 1 1 9   12  8  o 359.395 6.0509  70003.38   2355.39  71163.72   3331.99  68844.38   3330.07  362.226 8.4929  356.266 8.6300  5.960510       12.10805  
1 1 1 9   12  9  o 174.084 4.0407  16418.39   761.874  15727.71   1317.64  16765.28   933.798  170.310 7.1431  175.896 4.9015  -5.586456      8.663036  
1 1 1 9   12  10 o 329.597 8.1343  58947.23   2903.83  58947.23   2903.83  0.0000     0.0000   329.597 8.1343  ?       ?       0.000000       8.134261  
1 1 1 9   12  11 o 264.504 6.7521  37950.19   1934.36  36887.83   2736.83  39010.65   2734.38  260.550 9.6981  267.967 9.4212  -7.417572      13.52082  
1 1 1 9   12  12 f 347.177 8.4984  65481.38   3195.66  63193.01   4519.73  67768.96   4518.96  340.477 12.256  352.668 11.830  -12.19080      17.03451  
1 1 1 9   12  13 o 349.287 8.5415  66326.78   3231.38  67086.76   4570.03  65566.91   4569.70  350.615 12.034  346.590 12.173  4.025085       17.11748  
1 1 1 9   12  14 o 39.412  2.0083  843.613    85.447   962.281    220.668  822.682    92.677   41.829  4.9679  38.907  2.2083  2.921162       5.436603  
1 1 1 9   12  15 o 289.157 5.9469  45394.25   1862.50  44897.85   2281.96  46384.75   3223.46  287.384 7.3312  291.582 10.207  -4.198334      12.56685  
1 1 1 9   12  16 o 141.075 3.6795  10789.83   562.222  11017.62   966.247  10673.24   691.295  142.410 6.2644  140.271 4.5502  2.139236       7.742498  
1 1 1 9   12  17 o 220.167 4.1545  26291.40   990.690  25496.55   1400.18  27088.22   1401.92  216.637 5.9674  223.316 5.7960  -6.679626      8.318856  
1 1 1 9   12  18 o 200.996 3.9062  21911.77   850.388  22472.94   1201.71  21348.88   1203.55  203.407 5.4546  198.238 5.6054  5.168732       7.821328  
1 1 1 9   12  19 o 71.587  2.6156  2777.54    202.806  2875.27    250.983  2593.69    344.255  72.822  3.1821  68.963  4.6358  3.858231       5.622827  
1 1 1 9   12  20 o 176.253 3.6092  16854.13   689.002  16842.17   972.141  16866.20   976.665  176.031 5.0988  176.154 5.1190  -0.1229553     7.225079  
1 1 1 9   12  21 o 81.610  3.0538  3612.92    269.936  3694.32    375.758  3526.12    388.033  82.354  4.2269  80.424  4.4723  1.930443       6.153691  
1 1 1 9   12  22 o 67.960  3.1837  2507.50    234.343  2502.36    324.591  2513.09    338.679  67.665  4.4538  67.784  4.6410  -0.1191101     6.432368  
1 1 1 9   12  23 o 95.316  2.9758  4935.08    307.217  4949.90    429.262  4919.51    439.873  95.321  4.1578  95.012  4.2744  0.3091049      5.963076  
1 1 1 9   12  24 o 56.028  3.5382  1716.74    213.610  1649.74    305.532  1780.81    298.762  54.602  5.2303  56.819  4.9027  -2.217186      7.168868  
1 1 1 9   12  25 o 97.238  3.0033  5147.75    316.307  5272.89    444.717  5019.63    449.981  98.169  4.1825  95.745  4.3392  2.423912       6.026796  
1 1 1 9   12  26 o 36.295  1.2194  714.177    47.934   379.646    275.748  724.601    48.675   26.070  8.5016  36.558  1.2293  -10.48772      8.590002  
1 1 1 9   12  27 o 39.167  6.9518  889.357    284.110  940.654    384.530  827.690    421.610  39.500  9.1651  36.777  10.218  2.722797       13.72615  
1 1 1 9   12  28 o 68.421  3.3642  2567.84    249.312  3465.66    553.968  2339.81    279.184  77.833  6.6346  65.032  3.9828  12.80128       7.738305  
1 1 1 9   12  29 o 43.350  5.6250  1077.76    257.881  1184.88    359.764  964.540    369.842  44.450  7.7547  39.443  8.8721  5.006554       11.78344  
1 1 1 9   12  30 o ?       ?       -148.4168  37.142   150.248    313.173  -152.6778  37.406   20.991  8.6119  ?       ?       0.000000       8.611874  
1 1 1 9   12  31 o 57.607  4.4666  1892.61    276.514  1690.11    368.200  2154.55    418.762  52.923  6.5644  59.808  6.5730  -6.885002      9.289541  
1 1 1 9   12  32 o 18.948  2.7374  202.953    54.551   559.861    322.775  192.459    55.347   27.958  9.2019  18.405  2.8700  9.552853       9.639114  
1 1 1 9   12  33 o 14.057  6.5811  -146.0826  250.759  -41.7002   344.753  -263.3428  365.401  17.524  8.0314  15.893  7.5878  1.631347       11.04884  
1 1 1 9   12  34 o 21.071  8.7312  280.624    326.190  531.944    422.422  -90.5603   513.368  25.224  10.128  19.211  9.1216  6.012115       13.63005  
1 1 1 9   12  35 o 31.745  2.4271  564.881    82.821   980.469    449.723  550.291    84.262   32.013  10.868  31.295  2.5069  0.7172012      11.15320  
1 1 1 9   13  0  o 81.227  2.7295  3573.47    240.134  3230.88    295.838  4235.17    411.144  77.232  3.5366  88.421  4.2931  -11.18860      5.562195  
1 1 1 9   13  1  o 327.839 5.6178  58232.84   1994.78  61271.77   2821.60  55196.30   2820.49  336.211 7.7484  319.092 8.1609  17.11963       11.25338  
1 1 1 9   13  2  o 466.416 15.697  118257.20  7929.61  0.0000     0.0000   118257.20  7929.61  ?       ?       466.416 15.697  0.000000       15.69668  
1 1 1 9   13  3  o 801.502 26.551  351740.09  23049.45 0.0000     0.0000   351740.09  23049.45 ?       ?       801.502 26.551  0.000000       26.55131  
1 1 1 9   13  4  o 224.105 4.3824  27206.81   1063.73  27525.78   1503.53  26887.14   1505.15  225.380 6.1592  222.749 6.2387  2.631699       8.766822  
1 1 1 9   13  5  o 469.611 7.8403  119555.10  3987.86  124324.50  5639.85  114786.20  5639.53  478.657 10.879  459.891 11.322  18.76617       15.70122  
1 1 1 9   13  6  o 203.027 3.9854  22329.00   876.379  23150.00   1239.38  21508.00   1239.39  206.698 5.5360  199.229 5.7436  7.469421       7.977277  
1 1 1 9   13  7  o 438.187 7.3280  104090.10  3477.88  103857.90  4918.65  104322.30  4918.27  437.470 10.381  438.449 10.357  -0.9789124     14.66361  
1 1 1 9   13  8  o 398.538 7.0553  86108.13   3045.47  87809.34   3994.07  83745.28   4707.10  402.308 9.1661  392.727 11.066  9.581909       14.36928  
1 1 1 9   13  9  o 408.498 7.9621  90513.97   3522.82  92905.84   6100.94  89317.59   4314.82  413.221 13.632  405.620 9.8214  7.601746       16.80113  
1 1 1 9   13  10 o 465.433 11.047  117752.20  5568.91  117752.20  5568.91  0.0000     0.0000   465.433 11.047  ?       ?       0.000000       11.04696  
1 1 1 9   13  11 o 338.607 9.4963  62296.77   3482.72  64040.89   4201.03  58463.84   6227.78  343.079 11.306  326.238 17.691  16.84109       20.99503  
1 1 1 9   13  12 o 232.495 6.8922  29335.48   1735.56  29963.94   2141.73  28133.44   2962.01  234.850 8.4199  226.865 12.098  7.985168       14.73977  
1 1 1 9   13  13 f 283.569 5.0045  43605.75   1537.05  41688.11   2173.94  45522.59   2173.48  277.058 7.2445  289.555 6.9304  -12.49637      10.02558  
1 1 1 9   13  14 o 249.799 4.5479  33836.05   1230.47  33330.02   1739.10  34343.30   1741.21  247.761 6.4807  251.508 6.3919  -3.746811      9.102508  
1 1 1 9   13  15 o 156.335 3.8438  13249.89   650.864  12959.17   796.496  13834.17   1129.16  154.567 4.7577  159.585 6.5327  -5.018234      8.081611  
1 1 1 9   13  16 f 213.754 5.0766  24795.42   1175.32  23936.79   1867.03  25359.04   1512.65  209.668 8.2215  216.031 6.4648  -6.362839      10.45879  
1 1 1 9   13  17 o 259.677 4.7147  36590.97   1326.04  37681.85   1874.81  35498.93   1875.80  263.272 6.5748  255.502 6.7783  7.770523       9.443178  
1 1 1 9   13  18 o 153.996 3.3504  12857.35   558.834  13155.89   792.432  12561.97   788.206  155.689 4.6993  152.128 4.7837  3.560974       6.705743  
1 1 1 9   13  19 o 149.404 3.4243  12105.17   554.126  12015.80   781.302  12195.63   786.023  148.747 4.8495  149.857 4.8427  -1.109512      6.853467  
1 1 1 9   13  20 o 154.816 3.3761  13000.93   566.103  12757.92   797.365  13247.91   803.855  153.235 4.8043  156.155 4.7528  -2.920364      6.758008  
1 1 1 9   13  21 o 174.293 3.6960  16492.45   697.721  15754.73   939.242  17400.80   1042.23  170.160 5.0963  178.779 5.3824  -8.619629      7.412287  
1 1 1 9   13  22 f 108.487 3.0348  6388.65    356.598  6193.72    505.296  6582.05    503.321  106.686 4.3729  109.997 4.2247  -3.311241      6.080292  
1 1 1 9   13  23 o 118.657 3.0461  7649.69    391.483  7544.27    549.318  7758.48    558.066  117.645 4.3110  119.302 4.3188  -1.657097      6.102235  
1 1 1 9   13  24 o 42.793  4.0290  1008.04    184.544  1090.69    253.412  914.714    269.279  44.256  5.3985  40.241  6.3920  4.015675       8.366696  
1 1 1 9   13  25 o 18.541  6.5235  169.660    162.564  342.824    224.810  -20.1260   235.352  24.706  7.6319  16.523  7.1508  8.182413       10.45850  
1 1 1 9   13  26 o 39.218  1.9317  835.296    82.056   998.745    280.264  819.971    85.816   41.874  6.3812  38.797  2.0495  3.077572       6.702270  
1 1 1 9   13  27 o 62.145  3.8345  2127.13    256.838  1686.70    350.516  2637.76    377.424  54.618  6.0255  68.807  5.1007  -14.18942      7.894553  
1 1 1 9   13  28 o 34.567  7.7388  715.148    282.516  934.425    379.947  443.992    422.510  39.020  9.1489  28.527  10.455  10.49297       13.89284  
1 1 1 9   13  29 o 44.938  7.9498  1216.82    372.781  1921.64    574.751  705.016    489.772  55.290  9.9642  33.265  11.341  22.02480       15.09658  
1 1 1 9   13  30 o 45.695  2.2782  1140.81    112.755  1070.25    338.588  1149.62    119.580  41.871  7.7514  45.784  2.4200  -3.912479      8.120418  
1 1 1 9   13  31 o 33.051  6.6471  672.233    229.700  693.716    288.154  634.787    380.431  32.658  8.1675  30.287  9.9911  2.370771       12.90468  
1 1 1 9   13  32 o 16.403  7.1495  35.707     238.675  223.678    312.537  -227.2994  369.690  21.021  8.6113  16.585  7.8348  4.436417       11.64207  
1 1 1 9   13  33 o 20.943  7.9263  275.480    246.649  268.222    323.166  285.608    381.733  21.437  8.7661  22.222  9.3438  -0.7847672     12.81214  
1 1 1 9   13  34 o 17.493  7.8819  42.857     314.937  227.968    407.744  -230.8946  495.848  20.964  9.2349  18.015  8.6638  2.948704       12.66274  
1 1 1 9   13  35 o 19.063  8.3363  169.629    326.896  457.491    422.534  -259.5578  515.932  23.566  9.8654  17.794  8.6259  5.771938       13.10465  
1 1 1 9   14  0  o 181.840 3.8505  17910.93   758.368  18432.89   1139.35  17495.72   1016.18  184.446 5.7032  179.703 5.2209  4.742859       7.731996  
1 1 1 9   14  1  o 725.615 24.049  287650.50  18900.24 287650.50  18900.24 0.0000     0.0000   725.615 24.049  ?       ?       0.000000       24.04867  
1 1 1 9   14  2  o 178.271 3.5121  17214.12   678.136  17525.38   959.295  16903.20   958.763  179.859 4.9244  176.636 5.0114  3.222641       7.025927  
1 1 1 9   14  3  o 541.624 12.714  159274.09  7458.26  144164.50  10547.18 174385.91  10547.96 514.496 18.927  566.137 17.202  -51.64093      25.57619  
1 1 1 9   14  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   14  5  o 479.669 8.0238  124738.30  4168.62  126542.20  5895.34  122934.50  5895.31  482.867 11.272  475.919 11.437  6.948151       16.05813  
1 1 1 9   14  6  o 631.561 10.522  216442.00  7197.48  210353.20  10178.77 222530.91  10178.76 621.954 15.110  639.776 14.689  -17.82220      21.07336  
1 1 1 9   14  7  o 740.439 13.759  298008.41  11034.36 301603.19  13514.06 290818.19  19112.67 744.224 16.765  728.629 24.218  15.59534       29.45514  
1 1 1 9   14  8  o 647.678 12.308  227929.50  8633.99  223766.80  14952.85 230011.59  10575.03 639.541 21.587  650.103 15.019  -10.56281      26.29719  
1 1 1 9   14  9  o 808.418 26.981  360648.09  23624.28 360648.09  23624.28 0.0000     0.0000   808.418 26.981  ?       ?       0.000000       26.98065  
1 1 1 9   14  10 o 501.604 16.894  137475.00  9178.32  137475.00  9178.32  0.0000     0.0000   501.604 16.894  ?       ?       0.000000       16.89399  
1 1 1 9   14  11 o 428.995 10.281  100060.80  4776.88  99941.98   6756.45  100179.60  6754.61  427.886 14.579  428.399 14.557  -0.5133972     20.60232  
1 1 1 9   14  12 o 245.818 4.4895  32754.22   1195.30  31588.04   1690.33  33920.62   1690.49  241.282 6.4681  250.048 6.2419  -8.766418      8.988753  
1 1 1 9   14  13 o 347.167 6.0007  65399.58   2256.36  64554.58   3191.37  66244.16   3190.59  344.567 8.5513  349.065 8.4391  -4.498230      12.01429  
1 1 1 9   14  14 o 102.987 2.8168  5746.77    314.206  5858.85    443.139  5633.46    445.579  103.962 3.9355  101.940 4.0356  2.021820       5.636830  
1 1 1 9   14  15 o 148.209 3.7360  11907.67   599.731  11843.02   733.717  12037.83   1041.04  147.768 4.5844  148.867 6.4565  -1.098999      7.918515  
1 1 1 9   14  16 f 296.586 6.0674  47779.02   1949.04  47707.75   3371.67  47814.78   2388.56  295.479 10.535  296.475 7.4384  -0.9960022     12.89663  
1 1 1 9   14  17 o 33.778  4.4179  629.483    157.756  680.508    213.649  568.312    233.928  34.925  5.8553  31.709  6.9986  3.215633       9.124969  
1 1 1 9   14  18 o 139.847 3.2061  10602.29   485.631  10482.87   684.835  10723.08   688.753  138.984 4.5494  140.568 4.5238  -1.584991      6.415750  
1 1 1 9   14  19 o 89.821  2.6899  4372.94    261.684  4243.37    388.106  4480.95    354.347  88.431  4.0520  90.892  3.5994  -2.460754      5.419849  
1 1 1 9   14  20 o 121.374 3.0641  7988.84    402.811  7211.40    564.833  8793.44    574.616  115.225 4.5259  127.266 4.1686  -12.04144      6.153141  
1 1 1 9   14  21 o 243.111 4.6827  32138.19   1233.03  31912.25   1633.53  32437.39   1879.83  241.874 6.2354  243.588 7.1251  -1.713882      9.468283  
1 1 1 9   14  22 o 89.720  2.7807  4368.04    270.222  4366.80    354.072  4369.76    418.182  89.643  3.6468  89.612  4.3085  0.3047943E-01  5.644649  
1 1 1 9   14  23 o 127.742 3.1167  8867.82    431.218  9094.64    605.906  8635.03    613.840  129.156 4.3313  125.816 4.5045  3.340149       6.249096  
1 1 1 9   14  24 o 110.554 3.0131  6648.12    360.792  6800.87    506.061  6490.21    514.518  111.590 4.1870  108.973 4.3593  2.616966       6.044372  
1 1 1 9   14  25 o 63.698  3.3065  2217.58    227.337  2204.22    322.645  2230.76    320.374  63.201  4.7481  63.598  4.6840  -0.3970985     6.669631  
1 1 1 9   14  26 o 41.683  2.1466  946.709    96.583   942.680    99.259   1018.41    418.774  41.586  2.2116  41.208  9.5666  0.3779488      9.818910  
1 1 1 9   14  27 o 44.237  2.7089  1070.84    129.170  1577.84    323.680  974.802    140.874  52.902  5.7412  42.128  3.1093  10.77314       6.529140  
1 1 1 9   14  28 o 57.944  5.2701  1890.62    327.132  2202.46    445.440  1525.51    481.987  61.847  6.7598  50.072  9.2272  11.77458       11.43837  
1 1 1 9   14  29 o 21.947  8.5553  212.242    293.279  147.921    383.842  302.462    454.594  22.636  9.4332  26.164  10.506  -3.527451      14.11961  
1 1 1 9   14  30 o 26.566  8.0526  434.280    251.788  652.774    347.768  193.564    365.023  31.841  9.4218  22.679  9.3002  9.161896       13.23870  
1 1 1 9   14  31 o 60.296  2.5154  1999.73    164.272  1604.64    366.916  2098.78    183.713  51.311  6.7672  61.678  2.7500  -10.36693      7.304660  
1 1 1 9   14  32 o 40.448  6.4580  1020.77    273.402  1014.34    377.442  1027.87    396.564  37.685  9.3033  37.517  9.6909  0.1673393      13.43368  
1 1 1 9   14  33 o 5.6966  2.7689  -90.5036   54.128   241.997    326.388  -99.9070   54.888   21.010  8.7222  5.5962  2.7351  15.41356       9.140954  
1 1 1 9   14  34 o ?       ?       -430.0192  53.797   -357.4956  486.145  -430.9183  54.130   17.074  8.2991  ?       ?       0.000000       8.299113  
1 1 1 9   14  35 o 30.220  9.4425  761.047    343.024  1103.79    449.208  281.636    531.271  34.521  10.809  21.902  10.013  12.61864       14.73378  
1 1 1 9   15  0  o 470.258 9.2527  119916.10  4712.74  112626.30  8164.50  123558.60  5771.28  455.088 16.564  477.205 11.166  -22.11694      19.97607  
1 1 1 9   15  1  o 231.222 4.2655  28961.35   1068.25  28733.27   1510.78  29189.41   1510.68  230.277 6.0573  232.098 6.0094  -1.821609      8.532516  
1 1 1 9   15  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   15  3  o 276.675 4.7700  41470.32   1429.42  43858.16   2021.86  39084.15   2021.15  284.483 6.5618  268.542 6.9489  15.94031       9.557446  
1 1 1 9   15  4  o 266.563 4.5991  38493.80   1327.82  35378.28   1877.36  41612.38   1878.28  255.495 6.7841  277.109 6.2581  -21.61360      9.229721  
1 1 1 9   15  5  o 500.901 8.0853  136029.80  4386.50  135978.41  6203.52  136081.09  6203.37  500.524 11.443  500.714 11.438  -0.1895142     16.17970  
1 1 1 9   15  6  o 386.405 6.5129  80921.64   2725.78  77689.47   3854.80  84153.91   3854.86  378.449 9.4042  393.905 9.0354  -15.45517      13.04141  
1 1 1 9   15  7  o 871.179 20.168  414350.09  19029.98 433345.09  26914.02 395359.50  26910.90 887.616 27.995  847.185 29.328  40.43085       40.54442  
1 1 1 9   15  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   15  9  o 728.119 24.299  291668.81  19162.85 291668.81  19162.85 0.0000     0.0000   728.119 24.299  ?       ?       0.000000       24.29894  
1 1 1 9   15  10 o 547.679 12.955  163315.20  7684.92  157938.80  10868.71 168690.50  10867.52 537.036 18.686  555.213 18.072  -18.17737      25.99494  
1 1 1 9   15  11 o 445.312 8.7889  107711.50  4239.03  99159.55   7345.36  111982.00  5190.63  425.825 15.926  453.754 10.562  -27.92920      19.10993  
1 1 1 9   15  12 o 377.594 6.4760  77365.16   2648.53  77313.09   3746.49  77417.19   3744.68  377.094 9.1728  377.350 9.1622  -0.2555542     12.96484  
1 1 1 9   15  13 o 190.595 3.7156  19687.82   767.019  20116.19   1088.85  19265.87   1080.66  192.585 5.2200  188.467 5.2940  4.118362       7.434726  
1 1 1 9   15  14 o 354.411 6.0772  68182.10   2332.83  67065.84   3298.69  69298.95   3299.57  351.073 8.6751  356.897 8.5358  -5.824036      12.17033  
1 1 1 9   15  15 o 245.845 5.1808  32795.50   1379.53  31830.82   1688.58  34731.64   2392.23  242.072 6.4403  252.540 8.7458  -10.46736      10.86129  
1 1 1 9   15  16 o 510.089 9.9000  142037.70  5469.54  141226.20  9473.19  142443.41  6698.90  504.496 17.337  509.799 12.132  -5.303864      21.16012  
1 1 1 9   15  17 o 66.361  2.3991  2386.11    172.434  2281.54    294.817  2440.48    212.589  64.717  4.2292  67.104  2.9250  -2.386864      5.142142  
1 1 1 9   15  18 o 105.789 2.8916  6065.83    331.318  6047.25    474.665  6083.48    462.674  105.578 4.1509  105.899 4.0338  -0.3209381     5.788030  
1 1 1 9   15  19 o 325.045 5.6648  57439.71   1994.33  55664.12   2819.32  59218.03   2821.49  319.319 8.1517  329.433 7.9075  -10.11353      11.35693  
1 1 1 9   15  20 o 124.782 3.1118  8444.23    420.562  8209.03    590.554  8686.26    599.067  122.941 4.4350  126.469 4.3734  -3.528145      6.228629  
1 1 1 9   15  21 o 184.507 3.7063  18484.27   740.675  19061.15   1048.46  17909.57   1046.48  187.133 5.1729  181.364 5.3273  5.768738       7.425584  
1 1 1 9   15  22 o 136.809 3.1987  10163.60   473.980  10090.19   681.198  10232.50   659.927  136.115 4.6206  137.100 4.4441  -0.9853821     6.410950  
1 1 1 9   15  23 o 216.119 4.1788  25456.84   978.164  25157.35   1476.30  25691.21   1305.97  213.943 6.3710  216.578 5.5674  -2.634460      8.460791  
1 1 1 9   15  24 o 128.627 3.1220  9002.83    434.944  9220.17    611.223  8779.88    619.060  129.881 4.3449  126.696 4.5113  3.184448       6.263390  
1 1 1 9   15  25 o 52.267  3.7383  1499.37    210.229  1821.67    302.910  1199.86    292.007  57.376  4.9219  46.215  5.9735  11.16158       7.740045  
1 1 1 9   15  26 o 34.495  1.8130  647.815    67.501   628.127    269.392  649.134    69.725   32.695  7.7293  34.525  1.8716  -1.829670      7.952631  
1 1 1 9   15  27 o 100.638 3.1948  5536.94    348.233  5422.33    481.891  5662.21    503.791  99.137  4.4879  101.262 4.5934  -2.124855      6.421867  
1 1 1 9   15  28 o 42.689  4.7605  1024.49    216.364  1170.65    279.671  806.609    341.467  45.272  5.8398  36.331  8.7761  8.940865       10.54150  
1 1 1 9   15  29 o 40.919  7.1432  994.777    305.069  814.565    390.216  1278.07    489.255  35.755  9.7895  44.586  10.333  -8.831005      14.23418  
1 1 1 9   15  30 o 24.038  8.8025  321.212    299.413  543.869    391.831  8.7545     464.169  29.355  10.139  22.096  9.7872  7.259462       14.09227  
1 1 1 9   15  31 o 33.153  7.0911  689.130    246.923  730.382    324.456  632.355    380.638  32.955  8.8868  30.110  9.9968  2.844954       13.37572  
1 1 1 9   15  32 o 25.448  8.0305  437.809    247.461  545.173    321.914  282.718    386.905  27.594  9.1949  22.788  9.4814  4.805916       13.20770  
1 1 1 9   15  33 o 27.125  7.9863  517.032    250.422  489.609    328.742  554.945    386.535  25.656  9.2496  26.659  9.9576  -1.002451      13.59076  
1 1 1 9   15  34 o 19.224  8.3279  167.729    319.855  208.090    415.357  108.919    501.375  20.761  9.2241  20.587  9.5249  0.1740398      13.25925  
1 1 1 9   16  0  f 207.584 4.0747  23341.97   916.132  22244.96   1295.49  24439.37   1295.72  202.619 5.9032  212.383 5.6328  -9.763947      8.159376  
1 1 1 9   16  1  o 601.436 13.989  196486.00  9112.73  214865.91  12888.29 178111.41  12886.40 628.148 18.944  571.578 20.815  56.56976       28.14505  
1 1 1 9   16  2  o 553.590 13.029  166408.70  7812.14  167174.20  11048.35 165643.30  11047.72 554.127 18.408  551.570 18.493  2.556519       26.09320  
1 1 1 9   16  3  f 88.615  2.5364  4253.04    243.445  4269.36    344.689  4236.79    343.880  88.780  3.5846  88.441  3.5899  0.3392944      5.073150  
1 1 1 9   16  4  o 656.036 15.342  233992.41  10901.53 238116.91  15417.44 229868.30  15416.73 660.534 21.550  648.902 21.935  11.63177       30.74992  
1 1 1 9   16  5  o 520.030 12.269  146838.80  6910.26  149203.50  9773.26  144474.80  9771.92  523.531 17.236  515.125 17.514  8.406433       24.57281  
1 1 1 9   16  6  o 360.129 6.2552  70286.70   2439.87  72352.42   3451.35  68223.03   3449.65  365.256 8.7241  354.665 8.9802  10.59134       12.52017  
1 1 1 9   16  7  o 231.091 4.9490  28934.91   1238.71  31647.77   2144.40  27576.37   1517.50  241.576 8.1956  225.568 6.2113  16.00816       10.28336  
1 1 1 9   16  8  o 336.033 11.666  61344.89   4246.11  0.0000     0.0000   61344.89   4246.11  ?       ?       336.033 11.666  0.000000       11.66647  
1 1 1 9   16  9  o 151.823 6.5758  12497.84   1081.33  12497.84   1081.33  0.0000     0.0000   151.823 6.5758  ?       ?       0.000000       6.575846  
1 1 1 9   16  10 o 406.540 9.7638  89786.55   4299.25  91707.23   6081.18  87867.27   6078.95  410.244 13.686  401.510 13.979  8.734009       19.56285  
1 1 1 9   16  11 o 484.025 8.0715  127203.20  4231.50  132844.41  5985.45  121566.60  5983.03  494.054 11.185  472.510 11.691  21.54437       16.17980  
1 1 1 9   16  12 o 191.794 3.7542  19934.52   779.861  20364.00   1104.11  19506.94   1101.67  193.786 5.2604  189.659 5.3630  4.126724       7.512252  
1 1 1 9   16  13 o 393.298 7.1023  84008.19   3025.45  88476.98   3968.26  77804.66   4675.46  403.259 9.0855  377.645 11.431  25.61346       14.60154  
1 1 1 9   16  14 f 153.997 3.2806  12851.91   547.182  12384.33   774.508  13317.86   773.157  151.113 4.7321  156.714 4.5550  -5.600296      6.568170  
1 1 1 9   16  15 o 88.872  2.6778  4279.56    257.757  4264.15    384.404  4292.15    347.439  88.683  4.0020  88.983  3.6050  -0.3004990     5.386261  
1 1 1 9   16  16 o 43.154  4.2105  1019.59    194.295  924.978    314.033  1078.26    247.314  40.610  7.4128  44.261  5.2621  -3.650936      9.090560  
1 1 1 9   16  17 o 124.921 3.0593  8458.25    413.926  8259.03    585.249  8657.64    585.511  123.385 4.3793  126.333 4.2791  -2.947449      6.122819  
1 1 1 9   16  18 o 210.989 4.1732  24151.46   953.665  23550.87   1269.74  24928.71   1444.46  208.195 5.6309  214.120 6.2285  -5.925079      8.396441  
1 1 1 9   16  19 o 377.440 6.4727  77545.22   2646.09  77433.34   3741.32  77657.20   3742.96  376.199 9.1820  376.747 9.1727  -0.5473022     12.97870  
1 1 1 9   16  20 o 215.986 4.1114  25327.52   961.806  24725.79   1358.13  25932.93   1362.28  213.123 5.8836  218.286 5.7619  -5.163528      8.235066  
1 1 1 9   16  21 o 112.026 3.0784  6808.93    373.521  7092.06    529.323  6528.12    527.161  114.233 4.2782  109.582 4.4415  4.650940       6.166854  
1 1 1 9   16  22 o 79.712  3.0480  3449.66    263.153  3346.27    365.532  3560.91    379.152  78.290  4.3275  80.766  4.3503  -2.475746      6.136141  
1 1 1 9   16  23 o 58.642  3.3706  1876.38    213.182  1894.41    294.004  1856.38    309.569  58.725  4.6606  58.072  4.9696  0.6528435      6.813105  
1 1 1 9   16  24 o 84.423  3.0016  3877.11    274.462  3835.46    382.051  3921.53    394.546  83.680  4.2290  84.596  4.3205  -0.9153366     6.045730  
1 1 1 9   16  25 f 94.946  3.0590  4910.03    314.572  5152.17    448.591  4675.75    441.244  96.996  4.2700  92.369  4.4105  4.627670       6.138803  
1 1 1 9   16  26 o 78.691  2.7257  3372.79    232.312  3333.96    382.369  3395.52    292.483  77.709  4.5630  78.825  3.4258  -1.115845      5.705903  
1 1 1 9   16  27 o 56.284  3.9090  1748.36    236.821  1722.06    319.921  1780.25    352.237  55.390  5.4014  56.149  5.8791  -0.7585907     7.983656  
1 1 1 9   16  28 o 35.790  5.8983  738.586    220.674  598.406    296.675  912.201    330.165  31.375  8.5134  38.962  8.0886  -7.587414      11.74322  
1 1 1 9   16  29 o 48.423  5.2803  1334.20    272.449  1183.42    324.735  1692.65    500.691  44.820  6.9116  52.323  9.1692  -7.502872      11.48236  
1 1 1 9   16  30 o 14.623  6.8892  -251.9310  282.301  -602.2983  361.795  293.406    451.371  14.266  6.9827  25.478  10.383  -11.21235      12.51223  
1 1 1 9   16  31 o 15.794  6.9495  -4.5349    230.290  2.9834     299.362  -15.4336   360.433  17.790  7.8708  18.966  8.4978  -1.175966      11.58283  
1 1 1 9   16  32 o 41.216  6.0374  1044.03    261.528  1160.71    342.790  881.502    404.549  41.887  7.8440  34.003  10.185  7.884224       12.85537  
1 1 1 9   16  33 o 40.282  7.7513  1100.87    325.909  1092.65    535.293  1105.71    410.831  34.325  11.851  37.761  9.9174  -3.435867      15.45330  
1 1 1 9   16  34 o 23.578  9.0879  424.560    328.041  832.457    426.065  -169.2435  514.070  30.349  10.568  18.619  8.9192  11.73043       13.82852  
1 1 1 9   17  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   17  1  o 137.523 3.0320  10243.69   451.624  10646.33   638.841  9841.42    638.544  140.191 4.2073  134.786 4.3740  5.405212       6.069022  
1 1 1 9   17  2  o 543.547 12.748  160412.09  7505.17  145882.59  10613.38 174944.59  10614.46 517.542 18.934  567.021 17.283  -49.47980      25.63599  
1 1 1 9   17  3  o 914.131 30.319  459345.59  30018.75 459345.59  30018.75 0.0000     0.0000   914.131 30.319  ?       ?       0.000000       30.31892  
1 1 1 9   17  4  o 396.821 7.1062  85349.57   3054.26  79189.57   4721.10  89783.40   4005.36  381.976 11.411  406.888 9.0886  -24.91193      14.58840  
1 1 1 9   17  5  o 651.881 12.685  230791.80  8956.00  225443.80  10967.93 241493.00  15514.73 643.789 15.729  665.035 21.539  -21.24567      26.67113  
1 1 1 9   17  6  o 418.953 7.3205  95151.31   3321.81  96409.06   4698.48  93894.34   4697.03  421.503 10.292  415.958 10.426  5.544525       14.64967  
1 1 1 9   17  7  f 395.755 13.500  85142.35   5786.90  0.0000     0.0000   85142.35   5786.90  ?       ?       395.755 13.500  0.000000       13.50048  
1 1 1 9   17  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   17  9  o 65.781  5.8831  2364.41    414.732  2364.41    414.732  0.0000     0.0000   65.781  5.8831  ?       ?       0.000000       5.883088  
1 1 1 9   17  10 o 341.791 5.9244  63340.06   2193.19  63538.60   3102.44  63141.72   3100.84  342.123 8.3724  341.050 8.3944  1.072296       11.85597  
1 1 1 9   17  11 o 258.372 4.6533  36184.05   1302.19  37114.76   1843.84  35257.88   1839.33  261.563 6.5084  254.926 6.6616  6.637558       9.313211  
1 1 1 9   17  12 o 187.487 3.6821  19049.01   747.716  20021.64   1057.80  18077.72   1057.07  192.155 5.0825  182.577 5.3455  9.578751       7.376056  
1 1 1 9   17  13 o 278.724 6.1942  42164.26   1869.96  42322.05   2949.37  42058.19   2418.10  278.790 9.7674  278.166 8.0260  0.6243591      12.64199  
1 1 1 9   17  14 o 64.030  2.8144  2221.45    195.186  2163.58    285.232  2272.42    267.673  63.031  4.2021  64.632  3.8410  -1.601204      5.693086  
1 1 1 9   17  15 o 322.456 5.9914  56460.16   2092.51  53857.23   2751.80  60028.66   3222.02  314.592 8.0761  331.942 8.9618  -17.34979      12.06386  
1 1 1 9   17  16 o 387.605 9.3865  81959.15   3940.60  78919.84   5571.67  85001.04   5574.04  378.844 13.579  393.383 13.082  -14.53891      18.85536  
1 1 1 9   17  17 o 270.298 4.8556  39652.57   1421.53  39017.80   2009.08  40288.93   2011.60  267.825 6.9259  272.170 6.8239  -4.345245      9.722844  
1 1 1 9   17  18 o 236.282 4.3476  30294.64   1112.64  29123.29   1571.35  31472.46   1575.68  231.421 6.2690  240.608 6.0463  -9.187195      8.709633  
1 1 1 9   17  19 o 109.814 3.0103  6537.89    358.042  6458.22    504.775  6618.56    507.935  109.081 4.2725  110.428 4.2468  -1.347298      6.024044  
1 1 1 9   17  20 o 80.468  3.0557  3511.60    266.324  3469.17    370.555  3556.94    383.033  79.810  4.3026  80.806  4.3930  -0.9964981     6.149049  
1 1 1 9   17  21 o 47.624  3.9701  1240.61    202.921  1293.94    288.144  1188.13    285.816  48.412  5.5985  46.325  5.8252  2.087029       8.079309  
1 1 1 9   17  22 f 45.935  3.8798  1155.55    191.221  1151.24    262.013  1160.46    279.709  45.610  5.4093  45.727  5.7765  -0.1171989     7.913826  
1 1 1 9   17  23 o 106.296 2.9986  6140.07    345.227  5879.48    483.074  6412.08    493.544  103.828 4.2957  108.445 4.2019  -4.617218      6.009054  
1 1 1 9   17  24 o 67.668  3.1567  2492.25    231.357  2734.44    320.614  2229.13    334.185  70.619  4.2108  63.593  4.8893  7.026711       6.452661  
1 1 1 9   17  25 o 123.793 3.1511  8350.59    422.504  9247.09    606.385  7504.71    589.015  129.921 4.3092  116.932 4.6507  12.98887       6.340252  
1 1 1 9   17  26 o 42.726  2.2721  995.389    104.769  1301.95    287.955  948.616    112.477  48.136  5.6294  41.677  2.5033  6.459354       6.160937  
1 1 1 9   17  27 o 88.693  3.2245  4302.57    309.760  4041.10    426.253  4595.18    450.919  85.395  4.6258  91.094  4.5849  -5.699387      6.513031  
1 1 1 9   17  28 o 52.174  2.2643  1483.14    127.955  1342.64    307.076  1512.66    140.756  48.455  5.9778  52.660  2.4678  -4.204960      6.467156  
1 1 1 9   17  29 o 34.472  1.3967  645.334    52.148   124.770    288.047  662.975    53.025   20.156  8.2631  34.939  1.4012  -14.78287      8.381077  
1 1 1 9   17  30 o 14.276  6.7624  -274.7272  278.932  -190.0975  355.483  -410.3072  449.941  17.413  8.0438  17.893  8.5083  -0.4795742     11.70868  
1 1 1 9   17  31 o 61.508  5.7153  2239.07    376.401  2171.08    501.055  2327.14    570.257  58.117  8.1868  59.009  9.2244  -0.8913803     12.33344  
1 1 1 9   17  32 o 33.333  1.7183  609.182    61.824   612.664    62.663   481.640    379.277  33.424  1.7369  26.030  9.8345  7.394053       9.986714  
1 1 1 9   17  33 o 52.570  5.7583  1704.58    322.509  1662.86    487.112  1737.14    430.341  46.762  9.9247  50.173  8.2025  -3.411385      12.87563  
1 1 1 9   17  34 o 30.140  8.6335  692.679    296.269  946.679    438.679  479.665    401.731  32.256  10.733  24.335  9.8394  7.921122       14.56058  
1 1 1 9   18  0  o 562.367 13.127  171731.41  7995.40  155632.50  11306.27 187835.59  11308.14 534.487 19.530  587.486 17.771  -52.99939      26.40575  
1 1 1 9   18  1  o 739.496 24.514  298967.69  19634.16 298967.69  19634.16 0.0000     0.0000   739.496 24.514  ?       ?       0.000000       24.51356  
1 1 1 9   18  2  o 554.173 13.024  166770.09  7817.60  156325.80  11055.48 177215.50  11056.04 535.707 19.054  570.575 17.890  -34.86786      26.13632  
1 1 1 9   18  3  o 349.625 5.7967  66235.05   2195.11  65838.35   3104.56  66631.63   3104.14  348.479 8.2253  350.574 8.1751  -2.095490      11.59690  
1 1 1 9   18  4  o 698.205 16.308  265207.50  12332.59 267265.00  17441.48 263150.41  17440.36 699.330 23.027  693.877 23.206  5.453064       32.69178  
1 1 1 9   18  5  o 126.242 3.0231  8632.18    413.362  8595.92    587.087  8667.83    582.109  125.966 4.3031  126.492 4.2488  -0.5262756     6.047240  
1 1 1 9   18  6  o 555.841 18.576  168441.59  11183.17 0.0000     0.0000   168441.59  11183.17 ?       ?       555.841 18.576  0.000000       18.57564  
1 1 1 9   18  7  f 468.529 15.792  119518.70  8013.72  0.0000     0.0000   119518.70  8013.72  ?       ?       468.529 15.792  0.000000       15.79165  
1 1 1 9   18  8  o 299.577 10.577  48738.48   3431.99  48738.48   3431.99  0.0000     0.0000   299.577 10.577  ?       ?       0.000000       10.57710  
1 1 1 9   18  9  o 720.233 11.933  282109.31  9308.92  283143.91  13165.35 281074.81  13164.26 720.038 16.881  717.381 16.942  2.657532       23.91707  
1 1 1 9   18  10 o 760.925 12.684  315330.41  10453.74 311078.69  14784.24 319581.59  14783.41 753.584 18.113  763.931 17.867  -10.34692      25.44244  
1 1 1 9   18  11 o 72.635  2.7378  2858.04    215.388  2968.67    315.062  2760.96    295.123  73.909  3.9501  71.276  3.8370  2.632851       5.506835  
1 1 1 9   18  12 o 280.522 5.0154  42670.45   1523.86  40716.81   2155.35  44623.06   2154.78  273.833 7.2671  286.702 6.9391  -12.86835      10.04797  
1 1 1 9   18  13 o 215.934 4.2914  25278.42   1003.67  25837.01   1337.90  24559.44   1517.88  218.221 5.6605  212.687 6.5891  5.533951       8.686668  
1 1 1 9   18  14 o 94.569  2.6525  4845.57    271.687  5187.11    406.288  4569.30    365.404  97.820  3.8347  91.814  3.6745  6.006317       5.311007  
1 1 1 9   18  15 o 95.669  2.6946  4959.31    279.215  5218.51    407.089  4729.04    383.689  98.110  3.8310  93.396  3.7930  4.713348       5.390993  
1 1 1 9   18  16 o 175.778 4.1167  16756.58   783.761  16324.93   958.501  17627.51   1361.52  173.433 5.1026  180.048 6.9818  -6.615112      8.647644  
1 1 1 9   18  17 o 108.442 2.9522  6373.59    346.741  6193.61    489.779  6554.44    490.954  106.854 4.2319  109.927 4.1235  -3.073158      5.908698  
1 1 1 9   18  18 o 271.288 4.8624  39957.66   1428.73  39167.41   2018.93  40750.42   2022.13  268.240 6.9491  273.632 6.8229  -5.392273      9.738711  
1 1 1 9   18  19 o 214.921 4.0774  25066.54   949.138  23972.90   1339.30  26169.98   1345.28  209.944 5.8899  219.390 5.6614  -9.445572      8.169607  
1 1 1 9   18  20 o 104.845 3.0006  5961.35    340.740  5969.35    476.203  5952.97    487.763  104.846 4.1934  104.695 4.3014  0.1513214      6.007274  
1 1 1 9   18  21 o 130.135 3.1182  9189.58    439.511  8856.28    618.961  9528.55    624.197  127.618 4.4780  132.389 4.3531  -4.770035      6.245144  
1 1 1 9   18  22 o 76.317  3.0517  3162.56    252.252  3561.96    351.055  2736.19    362.707  80.916  4.0056  70.695  4.7647  10.22064       6.224770  
1 1 1 9   18  23 o 181.542 3.6548  17941.98   718.640  17907.13   1016.67  17976.79   1015.95  180.886 5.1892  181.243 5.1754  -0.3565826     7.328915  
1 1 1 9   18  24 o 87.208  2.9778  4137.50    281.273  4295.96    392.386  3970.02    403.402  88.685  4.0850  85.088  4.3922  3.596977       5.998247  
1 1 1 9   18  25 o 160.787 3.5075  14109.86   610.831  13804.95   857.901  14423.37   869.914  158.408 5.0002  161.937 4.9598  -3.529663      7.042841  
1 1 1 9   18  26 o 49.132  4.1874  1334.54    220.703  1544.73    297.685  1077.98    328.885  52.580  5.2994  43.200  7.2884  9.380589       9.011315  
1 1 1 9   18  27 o 27.963  1.5022  425.602    45.331   444.213    261.912  425.027    46.025   27.484  8.1865  27.942  1.5266  -0.4573860     8.327615  
1 1 1 9   18  28 o 43.594  4.7166  1067.91    219.153  1007.47    294.177  1143.28    328.517  41.556  6.7690  44.172  7.1077  -2.615997      9.815235  
1 1 1 9   18  29 o 15.674  6.7249  11.777     204.687  -165.2681  258.941  306.668    334.188  14.921  6.8830  24.467  9.2344  -9.545438      11.51740  
1 1 1 9   18  30 o 20.033  1.6723  219.949    35.954   223.313    36.149   -89.2645   346.552  20.187  1.6683  18.267  8.2458  1.920246       8.412848  
1 1 1 9   18  31 o 22.182  8.6996  268.014    304.666  476.559    394.208  -41.3174   480.107  26.750  10.043  20.879  9.5348  5.871052       13.84850  
1 1 1 9   18  32 o 29.845  7.6943  597.093    250.309  584.361    327.280  615.036    388.528  28.400  9.2620  28.553  10.081  -0.1531944     13.68972  
1 1 1 9   18  33 o 28.605  8.6180  600.419    289.032  981.171    429.655  285.690    390.631  34.389  10.539  22.133  9.3869  12.25587       14.11311  
1 1 1 9   18  34 o 22.781  9.2719  384.130    359.405  51.621     505.706  723.485    510.885  20.067  9.3793  27.284  11.073  -7.217175      14.51182  
1 1 1 9   19  0  o 258.220 4.9107  36123.15   1373.42  35380.11   1584.62  38366.66   2753.48  255.533 5.7254  265.976 9.5581  -10.44318      11.14168  
1 1 1 9   19  1  o 630.188 14.722  215818.20  10048.72 201811.70  14210.56 229826.50  14211.51 608.187 21.573  649.324 20.207  -41.13708      29.55867  
1 1 1 9   19  2  o 122.877 3.4531  8178.40    459.567  8233.08    560.434  8066.13    802.967  123.282 4.1972  122.006 6.0764  1.275604       7.385037  
1 1 1 9   19  3  o 203.926 3.6255  22525.89   800.776  21794.33   1132.92  23256.28   1132.02  200.564 5.2153  207.184 5.0446  -6.620758      7.255819  
1 1 1 9   19  4  o 453.952 8.6837  111746.30  4269.60  111285.10  5228.24  112669.90  7397.77  452.863 10.659  455.229 15.004  -2.365814      18.40460  
1 1 1 9   19  5  o 814.882 27.052  364484.19  23876.10 0.0000     0.0000   364484.19  23876.10 ?       ?       814.882 27.052  0.000000       27.05195  
1 1 1 9   19  6  o 298.674 10.538  48416.64   3408.85  0.0000     0.0000   48416.64   3408.85  ?       ?       298.674 10.538  0.000000       10.53758  
1 1 1 9   19  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   19  8  o 329.997 8.2991  59079.89   2966.27  56271.39   4201.11  61871.98   4188.81  321.738 12.056  337.431 11.461  -15.69254      16.63435  
1 1 1 9   19  9  o 556.761 9.4251  168329.41  5683.59  165065.91  8038.23  171592.30  8037.39  550.555 13.480  561.394 13.218  -10.83820      18.87947  
1 1 1 9   19  10 o 482.309 8.0695  126273.90  4215.41  125902.20  5961.92  126645.50  5961.07  481.026 11.443  482.451 11.408  -1.424988      16.15808  
1 1 1 9   19  11 o 272.196 4.8630  40165.28   1433.69  39849.26   2028.92  40480.44   2026.18  270.980 6.9129  273.123 6.8494  -2.142853      9.731461  
1 1 1 9   19  12 o 132.483 3.0046  9509.65    431.138  9973.07    612.052  9053.22    607.417  135.643 4.1660  129.232 4.3396  6.411621       6.015613  
1 1 1 9   19  13 o 139.618 3.1175  10562.70   471.439  11674.88   653.093  9352.64    681.226  146.754 4.1088  131.326 4.7893  15.42731       6.310268  
1 1 1 9   19  14 o 197.915 4.0692  21236.81   872.283  20760.77   1166.53  21840.58   1313.73  195.593 5.5065  200.572 6.0474  -4.979446      8.178756  
1 1 1 9   19  15 o 364.543 6.6686  72213.46   2633.01  72418.30   3455.76  71929.96   4065.35  364.612 8.7507  362.959 10.341  1.652100       13.54675  
1 1 1 9   19  16 o 282.661 5.7909  43391.54   1772.91  41418.02   2170.27  47350.46   3073.85  275.934 7.2617  294.537 9.6355  -18.60233      12.06541  
1 1 1 9   19  17 o 126.682 3.0584  8698.63    419.649  8473.94    589.432  8929.58    597.598  124.979 4.3544  128.298 4.3005  -3.318825      6.120053  
1 1 1 9   19  18 o 167.021 3.4684  15126.94   627.430  14636.25   886.688  15619.04   887.954  164.176 4.9865  169.612 4.8335  -5.436295      6.944620  
1 1 1 9   19  19 o 124.892 2.9888  8456.64    404.298  7988.52    561.646  8960.08    582.448  121.314 4.2745  128.486 4.1854  -7.171608      5.982321  
1 1 1 9   19  20 o 130.465 3.1366  9232.16    443.228  9108.75    625.634  9356.51    628.011  129.486 4.4609  131.240 4.4181  -1.753220      6.278477  
1 1 1 9   19  21 o 136.042 3.7254  10052.02   548.924  10944.78   944.496  9596.67    674.542  141.597 6.1585  132.811 4.6892  8.785339       7.740569  
1 1 1 9   19  22 o 107.333 3.0051  6255.31    349.345  6575.56    489.755  5923.60    498.456  109.919 4.1137  104.289 4.4128  5.630112       6.032894  
1 1 1 9   19  23 o 173.573 3.5818  16399.94   673.368  15992.70   949.313  16812.33   955.289  170.944 5.1273  175.304 5.0312  -4.359818      7.183457  
1 1 1 9   19  24 o 75.570  3.0472  3107.80    249.415  3380.23    346.788  2815.87    358.979  78.557  4.0899  71.556  4.6572  7.000992       6.198147  
1 1 1 9   19  25 o 131.748 3.1963  9461.93    456.100  9070.07    630.393  9892.41    660.721  128.568 4.5270  134.264 4.5435  -5.695419      6.413796  
1 1 1 9   19  26 o 103.469 3.1383  5843.28    351.707  5453.38    486.784  6269.11    508.719  99.544  4.5149  106.773 4.3989  -7.228920      6.303587  
1 1 1 9   19  27 o 79.641  2.7155  3459.81    234.241  2945.29    385.057  3762.06    295.131  72.732  4.9168  82.908  3.2866  -10.17564      5.914133  
1 1 1 9   19  28 o 44.608  4.6111  1116.19    219.573  995.130    294.741  1267.16    329.147  41.257  6.8352  46.724  6.6954  -5.466793      9.568049  
1 1 1 9   19  29 o 83.559  2.5653  3817.60    232.170  3450.28    321.099  4220.02    336.089  79.009  3.7523  87.472  3.5474  -8.463821      5.163696  
1 1 1 9   19  30 o 63.977  4.2460  2300.21    292.549  2404.55    411.384  2193.46    416.111  64.303  5.9750  61.105  6.3814  3.198135       8.742053  
1 1 1 9   19  31 o 24.953  8.9151  403.299    304.733  548.033    398.044  198.346    473.667  28.015  10.166  23.248  10.103  4.767939       14.33224  
1 1 1 9   19  32 o 18.559  8.0844  81.798     304.786  324.290    392.156  -288.1399  484.367  23.385  9.6204  18.364  8.7591  5.020548       13.01049  
1 1 1 9   19  33 o 44.695  2.3352  1108.56    112.656  1536.28    449.658  1079.91    116.367  45.396  9.4524  44.060  2.4481  1.335785       9.764292  
1 1 1 9   19  34 o 40.612  8.3011  1198.74    352.815  1235.66    459.896  1145.93    550.025  37.375  10.771  33.007  11.954  4.367668       16.09124  
1 1 1 9   20  0  o 426.770 10.982  98825.69   5076.21  110501.30  7174.70  87123.03   7183.00  450.931 14.690  400.210 16.571  50.72086       22.14483  
1 1 1 9   20  1  o 405.525 7.0185  89130.02   3082.71  90340.02   3558.65  85492.20   6170.40  408.217 8.0487  396.657 14.362  11.56003       16.46391  
1 1 1 9   20  2  o 168.777 4.8726  15432.54   890.718  14830.68   1260.18  16033.41   1259.15  165.418 7.0336  172.000 6.7589  -6.582138      9.754767  
1 1 1 9   20  3  o 556.262 15.555  168264.00  9371.88  167517.41  17272.44 168575.50  11157.04 551.488 29.019  556.300 18.517  -4.811707      34.42330  
1 1 1 9   20  4  o 364.102 8.1121  71878.30   3199.09  73149.13   4159.34  70037.67   5005.71  367.164 10.459  359.090 12.870  8.073792       16.58433  
1 1 1 9   20  5  o 680.364 22.616  253110.30  16665.49 0.0000     0.0000   253110.30  16665.49 ?       ?       680.364 22.616  0.000000       22.61554  
1 1 1 9   20  6  o 469.849 15.832  120166.80  8056.67  0.0000     0.0000   120166.80  8056.67  ?       ?       469.849 15.832  0.000000       15.83169  
1 1 1 9   20  7  o 376.338 9.3477  76855.46   3810.25  72982.02   5394.20  80712.59   5382.83  366.319 13.596  385.314 12.898  -18.99503      18.74036  
1 1 1 9   20  8  o 647.826 10.978  228022.41  7702.79  225980.50  10893.84 230064.09  10892.95 643.843 15.622  649.673 15.480  -5.829895      21.99276  
1 1 1 9   20  9  o 537.849 9.0012  157064.70  5243.62  153000.59  7415.96  161128.00  7415.23  530.125 12.916  544.096 12.583  -13.97095      18.03174  
1 1 1 9   20  10 o 273.097 4.7874  40424.71   1416.07  41159.52   2003.24  39690.80   2002.01  275.453 6.7145  270.486 6.8336  4.967377       9.580375  
1 1 1 9   20  11 o 227.856 4.2171  28138.98   1040.74  28425.77   1474.18  27854.02   1469.49  228.923 5.9455  226.607 5.9872  2.316452       8.437764  
1 1 1 9   20  12 o 319.408 5.5215  55339.55   1910.18  53853.71   2702.01  56824.06   2700.80  314.821 7.9242  323.415 7.7101  -8.594269      11.05615  
1 1 1 9   20  13 o 291.229 5.3907  46011.96   1700.40  48303.48   2243.01  42915.50   2607.37  298.221 6.9442  280.884 8.5705  17.33719       11.03066  
1 1 1 9   20  14 o 95.894  2.7544  4982.57    286.082  5245.68    409.233  4731.09    400.084  98.369  3.8410  93.417  3.9542  4.952324       5.512590  
1 1 1 9   20  15 o 74.560  2.4586  3012.03    198.548  3001.47    329.131  3018.07    248.947  74.285  4.1066  74.625  3.0800  -0.3399506     5.133309  
1 1 1 9   20  16 o 182.589 4.2290  18082.33   836.331  18273.13   1024.78  17701.82   1447.19  183.481 5.1567  180.372 7.4077  3.109161       9.025841  
1 1 1 9   20  17 o 33.635  5.2088  628.626    183.623  993.320    295.537  399.319    234.345  42.228  6.6842  26.777  7.6808  15.45053       10.18204  
1 1 1 9   20  18 o 231.537 4.3113  29091.95   1081.18  28805.29   1527.12  29380.04   1530.93  230.154 6.1261  232.446 6.0808  -2.291824      8.631678  
1 1 1 9   20  19 o 138.619 3.1706  10419.54   476.035  10320.17   689.378  10510.12   658.138  137.857 4.6170  139.140 4.3671  -1.283005      6.355198  
1 1 1 9   20  20 f 120.809 3.0471  7915.83    398.716  7982.06    561.839  7848.62    565.921  121.225 4.2791  120.201 4.3469  1.023247       6.099653  
1 1 1 9   20  21 o 158.992 3.4031  13724.10   586.034  13527.09   824.778  13924.98   832.836  157.646 4.8304  159.951 4.8073  -2.305573      6.814919  
1 1 1 9   20  22 f 40.919  4.1470  920.635    181.255  838.704    247.460  1015.47    266.234  38.682  6.1093  42.685  5.9177  -4.003624      8.505494  
1 1 1 9   20  23 o 96.132  2.9743  5023.06    309.687  4891.16    431.631  5163.00    444.583  94.688  4.2087  97.282  4.2194  -2.593880      5.959563  
1 1 1 9   20  24 o 42.756  4.3786  1010.26    199.910  1102.42    299.602  936.290    268.397  44.199  6.4483  40.707  6.2903  3.491947       9.008224  
1 1 1 9   20  25 o 54.865  3.8444  1653.75    227.008  1906.40    306.367  1346.17    338.039  58.686  4.8637  48.774  6.5658  9.912834       8.171014  
1 1 1 9   20  26 o 46.914  4.3002  1219.33    216.077  976.239    289.533  1524.93    324.629  41.243  6.7124  52.049  5.8604  -10.80583      8.910673  
1 1 1 9   20  27 o 57.391  2.5098  1794.94    156.010  1908.63    320.902  1759.76    178.529  58.399  5.1252  56.691  2.9174  1.708675       5.897357  
1 1 1 9   20  28 o 23.465  7.4079  318.319    210.556  446.242    293.623  182.902    302.100  27.424  8.7575  21.710  8.6154  5.714113       12.28492  
1 1 1 9   20  29 o 31.621  6.4074  591.692    211.925  578.836    272.008  611.548    338.061  30.692  8.0740  31.231  9.3004  -0.5386562     12.31609  
1 1 1 9   20  30 o 29.455  1.2051  471.169    38.447   373.309    296.820  472.839    38.774   25.032  8.8140  29.507  1.2132  -4.475231      8.897110  
1 1 1 9   20  31 o 14.092  6.4821  -109.0444  227.419  -71.4041   300.995  -159.1158  347.159  16.731  7.6051  16.926  7.8641  -0.1950817     10.93997  
1 1 1 9   20  32 o 40.012  8.6678  1109.08    364.775  1144.41    514.829  1073.45    516.918  36.932  11.573  35.559  11.642  1.373371       16.41536  
1 1 1 9   20  33 o 20.661  8.5423  240.119    311.221  492.046    400.296  -144.8884  494.855  25.275  9.9529  18.998  9.0015  6.276781       13.41963  
1 1 1 9   20  34 o 17.781  7.9480  74.869     313.327  219.761    400.632  -153.3357  502.790  20.662  9.1253  18.502  8.8521  2.159695       12.71342  
1 1 1 9   21  0  o 225.074 4.1380  27441.80   1008.76  26723.00   1163.33  29620.38   2025.28  222.095 4.8361  233.748 7.9996  -11.65280      9.347756  
1 1 1 9   21  1  o 277.816 6.5562  41827.75   1972.79  41505.05   2552.11  42306.84   3109.71  276.675 8.5165  279.258 10.281  -2.583160      13.35038  
1 1 1 9   21  2  o 422.238 10.120  96717.43   4627.97  94952.19   6545.77  98481.78   6544.10  417.992 14.458  425.717 14.192  -7.725250      20.26016  
1 1 1 9   21  3  o 492.189 11.638  131501.20  6204.12  114973.40  8773.76  148030.50  8774.15  459.520 17.628  521.727 15.527  -62.20789      23.49150  
1 1 1 9   21  4  o 474.738 15.980  122622.60  8216.57  0.0000     0.0000   122622.60  8216.57  ?       ?       474.738 15.980  0.000000       15.97963  
1 1 1 9   21  5  o 167.086 6.9137  15133.00   1251.19  0.0000     0.0000   15133.00   1251.19  ?       ?       167.086 6.9137  0.000000       6.913729  
1 1 1 9   21  6  o 329.137 7.9115  58744.81   2820.38  60592.92   3997.09  56912.28   3980.21  334.064 11.047  323.736 11.351  10.32843       15.83945  
1 1 1 9   21  7  o 340.581 6.7727  62887.20   2498.36  63510.46   3061.59  61644.94   4322.38  342.172 8.2610  336.815 11.848  5.356293       14.44401  
1 1 1 9   21  8  o 155.020 3.4369  13018.47   577.063  11744.49   817.948  14280.94   814.244  147.209 5.1300  162.340 4.6308  -15.13109      6.910990  
1 1 1 9   21  9  o 291.836 5.1406  46163.21   1624.88  45417.94   2298.70  46907.48   2297.17  289.340 7.3350  294.055 7.2126  -4.714996      10.28713  
1 1 1 9   21  10 o 90.965  2.7364  4482.50    269.607  4941.11    384.078  4037.00    378.546  95.494  3.7134  86.312  4.0493  9.181923       5.494193  
1 1 1 9   21  11 o 414.535 7.5849  93309.41   3405.52  92512.23   4463.27  94420.20   5268.55  412.355 9.9934  416.231 11.687  -3.876282      15.37670  
1 1 1 9   21  12 o 444.953 7.5659  107552.40  3646.24  107683.60  5157.16  107421.20  5155.96  444.531 10.711  443.987 10.722  0.5446777      15.15546  
1 1 1 9   21  13 o 204.344 4.0791  22636.33   902.805  23716.37   1206.44  21261.81   1361.01  209.087 5.3273  197.899 6.3496  11.18761       8.288420  
1 1 1 9   21  14 o 292.204 5.1644  46326.47   1634.48  46719.25   2312.67  45934.48   2310.35  293.169 7.2832  290.688 7.3380  2.480865       10.33888  
1 1 1 9   21  15 o 412.862 7.5235  92720.21   3364.31  97465.77   4409.92  86112.48   5203.71  422.699 9.6323  396.485 12.118  26.21451       15.47957  
1 1 1 9   21  16 o 129.984 3.5932  9160.17    505.874  9157.86    620.876  9164.73    872.531  129.930 4.4119  129.872 6.2029  0.5812073E-01  7.611876  
1 1 1 9   21  17 o 179.467 4.1770  17471.90   811.929  16517.24   1400.87  17954.81   996.342  174.179 7.4256  181.859 5.0583  -7.679749      8.984764  
1 1 1 9   21  18 o 80.518  2.6588  3513.79    231.871  3485.13    367.473  3532.76    298.882  80.027  4.2548  80.714  3.4188  -0.6873856     5.458211  
1 1 1 9   21  19 o 117.603 3.0170  7498.88    384.287  7164.15    536.761  7850.87    550.425  114.876 4.3140  120.261 4.2257  -5.385674      6.038831  
1 1 1 9   21  20 o 197.180 3.8463  21107.79   821.451  21266.39   1158.44  20947.39   1165.00  197.681 5.4105  196.180 5.4828  1.501099       7.702901  
1 1 1 9   21  21 o 42.953  2.1072  1000.15    98.032   1029.98    245.771  994.505    106.905  43.144  5.3761  42.765  2.3167  0.3788033      5.854048  
1 1 1 9   21  22 o 90.128  2.9566  4410.95    288.619  4483.46    400.392  4332.51    416.416  90.755  4.0733  89.187  4.3108  1.568344       5.930806  
1 1 1 9   21  23 o 145.903 3.2841  11581.47   518.975  11815.63   730.213  11342.45   737.729  147.050 4.5847  144.035 4.7289  3.015518       6.586508  
1 1 1 9   21  24 o 67.375  3.2309  2472.27    235.771  2749.27    337.135  2207.13    329.845  70.742  4.4222  63.258  4.8512  7.483616       6.564297  
1 1 1 9   21  25 o 98.742  3.1817  5315.84    340.278  5018.53    476.062  5626.42    486.562  95.593  4.5980  101.265 4.4362  -5.672821      6.389142  
1 1 1 9   21  26 o 83.643  2.8608  3814.10    259.171  3951.52    324.645  3572.63    430.353  84.990  3.5267  80.269  4.9745  4.720108       6.097824  
1 1 1 9   21  27 o 65.532  3.5690  2362.38    252.366  2220.68    343.196  2529.22    372.388  63.033  5.0698  67.261  5.1508  -4.227757      7.227345  
1 1 1 9   21  28 o 51.007  2.2939  1418.16    126.725  1553.14    273.246  1381.17    143.039  52.586  4.8522  50.217  2.6391  2.368809       5.523497  
1 1 1 9   21  29 o 59.558  3.8206  1969.93    245.155  1664.10    318.993  2411.19    383.167  53.980  5.5343  65.092  5.4860  -11.11214      7.792574  
1 1 1 9   21  30 o 78.446  3.6481  3419.46    309.955  3414.69    433.677  3424.44    443.163  77.227  5.2153  77.245  5.3295  -0.1876831E-01 7.456744  
1 1 1 9   21  31 o 17.495  3.4877  177.088    63.767   743.378    323.987  154.267    65.039   32.838  8.8909  16.241  3.7699  16.59714       9.657119  
1 1 1 9   21  32 o 15.296  7.1538  -159.8895  294.931  -19.1282   377.162  -381.4338  473.169  18.661  8.4942  17.480  8.4210  1.180346       11.96100  
1 1 1 9   21  33 o 22.820  8.8652  358.647    314.081  499.671    406.392  149.476    494.936  25.367  10.016  21.441  9.7484  3.925629       13.97670  
1 1 1 9   21  34 o 16.303  7.5146  -39.6482   307.786  -56.5798   392.862  -12.7397   495.262  17.671  8.2618  19.429  9.1445  -1.757870      12.32390  
1 1 1 9   22  0  o 43.404  2.5155  1023.75    117.748  1024.10    130.346  1022.19    274.533  43.394  2.7881  43.010  6.0614  0.3838959      6.671854  
1 1 1 9   22  1  o 104.995 5.6697  5990.70    642.369  5990.70    642.369  0.0000     0.0000   104.995 5.6697  ?       ?       0.000000       5.669678  
1 1 1 9   22  2  o 713.756 16.683  277216.59  12897.16 271596.19  18239.74 282836.50  18238.93 704.716 23.896  719.292 23.411  -14.57587      33.45335  
1 1 1 9   22  3  o 34.138  8.1850  657.341    298.720  0.0000     0.0000   657.341    298.720  ?       ?       34.138  8.1850  0.000000       8.185041  
1 1 1 9   22  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   22  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   22  6  o 463.884 9.1421  116751.10  4593.31  116670.80  5627.12  116911.30  7951.65  463.510 11.209  463.347 15.845  0.1626587      19.40844  
1 1 1 9   22  7  o 269.682 4.7709  39409.10   1393.54  40159.65   1971.78  38660.10   1969.75  272.163 6.6890  267.027 6.8106  5.135162       9.546032  
1 1 1 9   22  8  o 317.771 5.5290  54734.25   1902.98  57540.06   2692.74  51934.78   2689.69  325.681 7.6336  309.384 8.0267  16.29752       11.07699  
1 1 1 9   22  9  o 54.489  2.8141  1612.61    165.510  1231.63    237.230  1973.93    231.026  47.442  4.6777  60.255  3.5557  -12.81364      5.875661  
1 1 1 9   22  10 o 122.617 2.9729  8145.12    394.825  8385.93    561.327  7909.31    555.454  124.395 4.1662  120.807 4.2451  3.588371       5.947968  
1 1 1 9   22  11 o 76.891  2.7307  3202.89    227.417  3169.40    325.924  3234.67    317.474  76.370  3.9538  77.258  3.7940  -0.8878403     5.479656  
1 1 1 9   22  12 o 133.596 3.0515  9670.50    441.549  9577.61    626.739  9762.04    622.175  132.917 4.3535  134.193 4.2807  -1.276031      6.105493  
1 1 1 9   22  13 o 491.970 8.1485  131619.70  4341.98  139059.41  6141.33  124184.00  6139.65  504.742 11.234  476.757 11.890  27.98477       16.35740  
1 1 1 9   22  14 o 165.658 3.3880  14873.71   607.890  15786.26   861.251  13967.77   858.130  170.602 4.6610  160.460 4.9376  10.14192       6.790046  
1 1 1 9   22  15 o 177.401 3.7531  17062.32   721.143  17159.08   973.338  16944.58   1073.74  177.823 5.0537  176.666 5.6115  1.156540       7.551682  
1 1 1 9   22  16 o 403.452 7.9526  88639.17   3475.15  88928.70   4256.12  88060.09   6019.27  403.555 9.7373  399.874 13.898  3.681763       16.96965  
1 1 1 9   22  17 o 186.413 4.5591  18857.16   920.506  17851.56   1476.13  19497.04   1177.50  181.057 7.5273  189.437 5.7389  -8.379959      9.465448  
1 1 1 9   22  18 o 134.941 3.2126  9872.87    469.544  9686.62    645.509  10082.14   684.253  133.588 4.4613  136.276 4.6358  -2.687546      6.433847  
1 1 1 9   22  19 o 66.507  3.1001  2398.50    223.309  2117.50    304.755  2724.30    328.154  62.278  4.5495  70.707  4.3055  -8.428993      6.263768  
1 1 1 9   22  20 o 164.044 3.4468  14603.20   612.423  14498.98   861.299  14709.78   870.976  163.291 4.8699  164.471 4.8893  -1.180069      6.900827  
1 1 1 9   22  21 o 58.647  2.3475  1865.07    149.119  1630.53    280.809  1957.18    175.982  54.516  4.8049  60.065  2.7050  -5.549362      5.513977  
1 1 1 9   22  22 o 157.881 3.3840  13548.61   578.676  13265.43   813.175  13839.15   823.669  155.929 4.8149  159.275 4.7746  -3.346069      6.780827  
1 1 1 9   22  23 o 63.964  3.1607  2225.40    218.974  2256.69    300.022  2189.72    320.327  64.144  4.3440  63.109  4.7205  1.035576       6.415122  
1 1 1 9   22  24 o 54.036  3.5805  1599.28    208.367  1746.81    297.498  1457.22    291.930  56.210  4.9365  51.207  5.3422  5.002953       7.273825  
1 1 1 9   22  25 o 57.206  3.7593  1796.76    231.629  1831.99    313.175  1754.21    344.159  57.445  5.0860  56.012  5.7548  1.433891       7.680157  
1 1 1 9   22  26 o 90.540  3.2353  4477.88    317.265  4486.37    442.584  4468.91    455.036  90.139  4.5480  89.909  4.6890  0.2303314      6.532278  
1 1 1 9   22  27 o 113.566 3.1965  7057.72    393.181  6535.92    548.388  7609.70    564.023  108.654 4.6598  117.360 4.4372  -8.705498      6.434494  
1 1 1 9   22  28 o 13.363  2.8085  101.282    39.359   281.949    238.767  96.235     39.905   22.733  7.9112  13.010  2.9054  9.723045       8.427861  
1 1 1 9   22  29 o 47.786  4.3787  1281.74    224.109  1005.71    286.961  1713.33    358.823  41.339  6.6334  54.415  6.1989  -13.07602      9.079024  
1 1 1 9   22  30 o 18.276  7.2853  132.590    216.922  0.4469     287.073  308.461    331.182  17.753  7.7865  23.905  9.1518  -6.152458      12.01605  
1 1 1 9   22  31 o 25.417  7.6604  423.044    228.336  556.356    303.603  249.443    346.456  28.376  8.8861  22.147  9.0687  6.229689       12.69661  
1 1 1 9   22  32 o 51.497  4.9494  1567.81    272.661  1553.50    365.446  1585.78    409.507  49.259  7.0507  48.704  8.0437  0.5550652      10.69648  
1 1 1 9   22  33 o 5.8716  2.7527  -42.4383   44.120   912.776    485.092  -50.4059   44.304   31.661  11.255  5.6847  2.6935  25.97595       11.57269  
1 1 1 9   22  34 o 38.369  8.5234  1087.89    345.005  1087.65    444.460  1088.26    547.240  34.890  10.723  32.207  11.884  2.682976       16.00673  
1 1 1 9   23  0  o 254.718 5.2340  35153.04   1443.98  35033.71   1765.06  35394.52   2510.90  254.256 6.4094  255.473 9.0743  -1.216507      11.10963  
1 1 1 9   23  1  o 658.380 21.880  236679.00  15602.36 0.0000     0.0000   236679.00  15602.36 ?       ?       658.380 21.880  0.000000       21.87980  
1 1 1 9   23  2  o 309.909 10.872  52121.27   3649.47  0.0000     0.0000   52121.27   3649.47  ?       ?       309.909 10.872  0.000000       10.87240  
1 1 1 9   23  3  f 262.217 9.4755  37297.15   2691.13  0.0000     0.0000   37297.15   2691.13  ?       ?       262.217 9.4755  0.000000       9.475530  
1 1 1 9   23  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   23  5  o 744.490 39.754  310776.19  31939.90 310776.19  31939.90 0.0000     0.0000   744.490 39.754  ?       ?       0.000000       39.75378  
1 1 1 9   23  6  o 478.126 9.0721  124037.10  4698.09  128558.30  5755.71  115011.30  8132.37  486.554 10.922  459.422 16.343  27.13223       19.65669  
1 1 1 9   23  7  o 284.798 5.0262  43954.68   1550.40  43688.63   2193.50  44220.29   2191.69  283.838 7.1351  285.562 7.0861  -1.724457      10.05597  
1 1 1 9   23  8  o 157.063 3.1996  13363.61   544.296  13851.68   771.543  12880.05   767.971  159.882 4.4554  154.169 4.5991  5.712524       6.403362  
1 1 1 9   23  9  o 56.346  2.7128  1719.83    165.561  1727.50    239.781  1712.83    228.876  56.325  3.9555  56.097  3.7892  0.2283440      5.477604  
1 1 1 9   23  10 o 179.492 3.4834  17456.42   677.204  18654.06   960.173  16270.98   955.267  185.506 4.7788  173.240 5.0910  12.26526       6.982536  
1 1 1 9   23  11 o 402.134 6.7818  87775.87   2953.84  89500.02   4178.11  86052.94   4176.62  405.616 9.5103  397.693 9.6963  7.923096       13.58179  
1 1 1 9   23  12 o 136.199 3.2410  10051.92   478.100  9229.73    658.847  10966.46   694.861  130.469 4.6624  142.221 4.5109  -11.75179      6.487381  
1 1 1 9   23  13 o 172.728 3.4282  16169.46   641.360  17161.12   908.666  15184.95   905.382  177.886 4.7162  167.316 4.9960  10.56992       6.870416  
1 1 1 9   23  14 o 231.861 4.3207  29152.92   1085.06  29483.57   1535.36  28823.01   1533.65  233.018 6.0835  230.387 6.1461  2.631470       8.647731  
1 1 1 9   23  15 o 415.094 7.0896  93687.95   3187.43  91797.20   4507.83  95578.48   4507.58  410.019 10.151  418.447 9.9456  -8.428192      14.21096  
1 1 1 9   23  16 o 89.354  3.3671  4328.21    325.866  4294.37    400.710  4394.30    559.948  88.981  4.1578  89.761  5.7905  -0.7798920     7.128587  
1 1 1 9   23  17 o 124.285 3.4864  8375.37    469.312  9341.33    803.128  7874.48    578.329  131.128 5.6548  120.466 4.4324  10.66104       7.184940  
1 1 1 9   23  18 o 99.564  2.7981  5373.30    301.738  5036.80    437.151  5679.50    417.006  96.341  4.1894  102.324 3.7627  -5.982338      5.631021  
1 1 1 9   23  19 o 203.586 4.0950  22498.61   902.964  21525.90   1205.68  23741.08   1362.64  198.934 5.5957  208.847 6.0240  -9.912857      8.221913  
1 1 1 9   23  20 o 200.493 3.8600  21826.87   838.211  21179.87   1183.89  22477.21   1186.94  197.222 5.5422  203.202 5.3930  -5.979950      7.733094  
1 1 1 9   23  21 o 133.558 3.1657  9683.63    457.944  9944.56    641.645  9412.74    653.787  135.195 4.3819  131.500 4.5903  3.694458       6.346017  
1 1 1 9   23  22 o 147.706 3.2637  11857.10   522.127  11473.41   732.614  12253.16   744.322  145.030 4.6639  149.895 4.5846  -4.865417      6.539920  
1 1 1 9   23  23 o 136.546 3.1601  10142.47   467.352  9892.77    654.894  10401.61   667.146  134.547 4.4939  137.972 4.4644  -3.425018      6.334507  
1 1 1 9   23  24 o 49.075  2.3766  1308.38    126.326  1480.38    295.229  1269.83    139.768  51.606  5.3600  48.252  2.6850  3.354374       5.994945  
1 1 1 9   23  25 o 156.084 3.5931  13312.15   607.436  12799.09   826.777  13913.93   895.411  152.407 5.0086  158.796 5.2061  -6.389297      7.224198  
1 1 1 9   23  26 f 108.932 3.1145  6478.68    367.464  6428.04    505.964  6535.22    534.560  108.100 4.3214  108.914 4.5315  -0.8134460     6.261705  
1 1 1 9   23  27 o 65.766  3.4616  2377.99    245.707  2150.90    327.376  2670.91    371.813  62.064  4.9101  69.164  4.9970  -7.099766      7.005650  
1 1 1 9   23  28 o 55.102  3.8251  1682.80    226.871  1589.24    298.983  1809.81    348.330  52.996  5.2790  56.349  5.7897  -3.352818      7.835051  
1 1 1 9   23  29 o 71.435  2.3017  2785.78    178.084  2745.05    356.840  2799.28    205.505  69.866  4.7437  71.514  2.6531  -1.647774      5.435216  
1 1 1 9   23  30 o 70.220  3.8700  2761.01    293.201  2738.34    408.846  2785.01    420.706  68.770  5.5358  69.258  5.6578  -0.4880142     7.915538  
1 1 1 9   23  31 o 37.430  6.4014  866.457    250.187  693.634    345.889  1056.09    362.319  31.174  9.4357  39.426  8.7164  -8.252375      12.84549  
1 1 1 9   23  32 o 33.728  7.8698  769.575    282.239  1142.25    417.402  455.652    383.093  39.116  9.8562  25.352  9.8070  13.76433       13.90402  
1 1 1 9   23  33 o 34.779  8.7371  888.531    328.695  883.661    427.175  895.600    514.639  32.148  10.586  30.839  11.496  1.309059       15.62741  
1 1 1 9   23  34 o 25.071  9.0909  497.538    318.222  861.345    399.675  -132.4861  525.957  31.441  10.234  18.970  9.0699  12.47078       13.67501  
1 1 1 9   24  0  o 137.789 3.6794  10284.19   549.114  11248.64   665.673  8230.39    971.406  144.099 4.2651  123.004 7.3246  21.09512       8.475878  
1 1 1 9   24  1  o 508.662 26.628  142246.80  14619.41 0.0000     0.0000   142246.80  14619.41 ?       ?       508.662 26.628  0.000000       26.62827  
1 1 1 9   24  2  o 390.080 13.323  82668.84   5628.96  0.0000     0.0000   82668.84   5628.96  ?       ?       390.080 13.323  0.000000       13.32307  
1 1 1 9   24  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   24  4  o 634.956 21.144  220279.91  14541.46 220279.91  14541.46 0.0000     0.0000   634.956 21.144  ?       ?       0.000000       21.14434  
1 1 1 9   24  5  o 323.595 8.0903  56788.41   2835.54  55568.01   4018.11  57999.07   4002.04  319.861 11.598  326.806 11.306  -6.945526      16.19727  
1 1 1 9   24  6  o 450.492 8.7709  110110.10  4279.58  113123.60  7418.30  108606.90  5239.34  455.790 15.027  447.189 10.817  8.601990       18.51538  
1 1 1 9   24  7  o 221.054 4.0689  26475.21   974.207  28257.44   1379.69  24703.02   1375.80  228.327 5.5790  213.472 5.9504  14.85551       8.156687  
1 1 1 9   24  8  o 449.845 7.6985  109796.50  3750.94  108734.90  5305.22  110857.50  5304.02  447.231 10.952  451.592 10.844  -4.361176      15.41241  
1 1 1 9   24  9  o 247.880 4.5391  33301.05   1218.66  32752.03   1724.33  33848.96   1722.57  245.731 6.4787  249.819 6.3662  -4.087845      9.083105  
1 1 1 9   24  10 f 241.450 4.3684  31597.86   1142.39  32246.74   1616.74  30950.83   1614.44  243.818 6.1222  238.861 6.2403  4.957092       8.741978  
1 1 1 9   24  11 o 122.390 2.9248  8115.63    387.712  7969.56    549.434  8260.51    547.188  121.256 4.1835  123.452 4.0923  -2.195915      5.852273  
1 1 1 9   24  12 o 182.667 3.6270  18083.89   717.594  17940.31   1016.21  18226.70   1013.46  181.870 5.1588  183.319 5.1042  -1.448883      7.257184  
1 1 1 9   24  13 o 173.667 3.5413  16346.79   666.120  15944.10   943.115  16747.64   940.960  171.439 5.0791  175.714 4.9442  -4.274765      7.088144  
1 1 1 9   24  14 o 228.266 4.2080  28254.48   1040.36  28485.28   1472.12  28024.20   1470.47  229.049 5.9340  227.183 5.9760  1.865509       8.421669  
1 1 1 9   24  15 o 289.651 5.1249  45531.91   1607.79  46135.58   2274.89  44929.46   2272.61  291.261 7.2112  287.414 7.3004  3.847473       10.26147  
1 1 1 9   24  16 o 64.657  2.6087  2265.34    182.691  2201.12    298.387  2303.85    231.062  63.550  4.3614  65.110  3.2872  -1.559502      5.461464  
1 1 1 9   24  17 o 125.284 3.5595  8511.17    483.013  7914.89    837.485  8808.38    591.256  120.470 6.4418  127.416 4.2843  -6.946007      7.736384  
1 1 1 9   24  18 o 58.138  3.3814  1839.14    212.008  1783.89    288.094  1904.42    313.116  57.127  4.6977  59.010  4.9446  -1.882637      6.820350  
1 1 1 9   24  19 f 73.925  2.5384  2962.26    203.246  2701.34    329.601  3122.36    258.174  70.398  4.3439  75.877  3.1414  -5.479385      5.360840  
1 1 1 9   24  20 o 93.939  2.9642  4786.67    301.596  5172.63    417.928  4367.25    435.668  97.591  3.9539  89.522  4.5077  8.069382       5.995997  
1 1 1 9   24  21 o 134.769 3.1358  9860.54    457.728  9593.30    644.686  10132.20   649.996  132.759 4.4835  136.450 4.3981  -3.690872      6.280532  
1 1 1 9   24  22 o 25.289  5.9679  364.502    160.831  160.538    217.309  611.539    239.156  19.788  7.4514  32.731  6.9603  -12.94311      10.19653  
1 1 1 9   24  23 o 41.187  2.0381  920.423    90.918   929.203    229.724  918.792    99.001   40.827  5.3216  41.082  2.2333  -0.2555656     5.771255  
1 1 1 9   24  24 o 22.764  6.6885  293.040    175.805  107.283    225.610  580.214    280.517  18.672  7.4341  31.557  8.1502  -12.88424      11.03135  
1 1 1 9   24  25 o 50.678  3.9302  1414.31    214.038  1340.02    281.649  1515.88    329.296  48.958  5.4014  51.938  5.9617  -2.980370      8.044708  
1 1 1 9   24  26 o 22.007  2.2674  266.191    53.271   524.624    234.355  252.111    54.703   29.881  7.3029  21.391  2.4026  8.490007       7.687997  
1 1 1 9   24  27 o 40.614  1.6898  896.027    74.335   758.946    252.751  909.006    77.774   36.070  6.7168  40.902  1.7556  -4.832924      6.942482  
1 1 1 9   24  28 o 25.111  6.7710  374.339    188.362  375.604    240.045  372.313    303.869  25.237  7.9012  25.647  8.9249  -0.4106655     11.91980  
1 1 1 9   24  29 o ?       ?       -434.5843  28.699   -442.5338  28.831   430.056    300.682  ?       ?       26.736  8.8854  0.000000       8.885392  
1 1 1 9   24  30 o 25.530  7.5338  407.316    222.622  117.529    291.570  812.422    344.737  19.624  8.2033  35.134  9.0147  -15.51047      12.18845  
1 1 1 9   24  31 o 51.890  4.6085  1561.49    256.312  1688.09    342.457  1400.26    386.483  52.697  6.1135  46.243  8.0063  6.454323       10.07354  
1 1 1 9   24  32 o 48.436  5.7247  1430.47    294.522  1476.01    449.545  1396.23    389.839  45.128  9.4978  45.320  8.2457  -0.1918030     12.57775  
1 1 1 9   24  33 o 34.564  8.6114  872.575    321.197  751.928    406.063  1074.24    524.992  29.833  10.321  33.590  11.729  -3.757027      15.62294  
1 1 1 9   24  34 o 21.121  8.4814  299.051    296.270  226.491    361.850  446.620    516.033  20.444  8.8572  23.867  10.455  -3.422722      13.70212  
1 1 1 9   25  0  o 250.764 9.1438  34105.12   2483.48  0.0000     0.0000   34105.12   2483.48  ?       ?       250.764 9.1438  0.000000       9.143763  
1 1 1 9   25  1  o 712.908 23.675  278037.59  18281.03 0.0000     0.0000   278037.59  18281.03 ?       ?       712.908 23.675  0.000000       23.67537  
1 1 1 9   25  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   25  3  o 325.382 11.350  57479.46   4000.02  57479.46   4000.02  0.0000     0.0000   325.382 11.350  ?       ?       0.000000       11.35007  
1 1 1 9   25  4  o 59.167  6.0512  1917.06    382.328  1917.06    382.328  0.0000     0.0000   59.167  6.0512  ?       ?       0.000000       6.051224  
1 1 1 9   25  5  o 135.774 6.2431  9992.18    918.101  0.0000     0.0000   9992.18    918.101  ?       ?       135.774 6.2431  0.000000       6.243137  
1 1 1 9   25  6  o 265.328 4.9861  38149.11   1432.89  42424.88   2492.28  36037.96   1751.26  279.649 8.2284  257.834 6.2710  21.81439       10.34563  
1 1 1 9   25  7  o 281.509 5.9824  42961.36   1824.04  40253.68   3166.41  44306.16   2231.49  272.178 10.741  285.813 7.2085  -13.63583      12.93564  
1 1 1 9   25  8  o 340.578 5.8684  62888.85   2164.75  64636.92   3062.35  61142.91   3060.48  345.091 8.1931  335.614 8.4194  9.477692       11.74792  
1 1 1 9   25  9  o 180.661 3.5925  17684.18   702.950  17992.71   996.568  17378.65   991.694  182.185 5.0504  179.047 5.1138  3.138077       7.187277  
1 1 1 9   25  10 o 447.517 7.6411  108746.90  3703.70  108821.70  5238.85  108672.10  5236.79  447.073 10.819  446.765 10.822  0.3082886      15.30264  
1 1 1 9   25  11 o 193.689 3.9307  20333.12   824.608  20831.07   1105.32  19708.13   1238.32  195.986 5.2071  190.586 5.9989  5.400284       7.943597  
1 1 1 9   25  12 o 35.925  3.2333  705.026    124.462  890.676    181.511  540.271    170.991  40.314  4.2195  31.134  5.2580  9.179873       6.741696  
1 1 1 9   25  13 o 365.396 6.2837  72497.59   2486.85  73511.45   3517.70  71484.61   3516.19  367.464 8.8384  362.337 8.9596  5.127502       12.58539  
1 1 1 9   25  14 o 267.279 4.7796  38753.86   1383.64  38541.70   1957.68  38965.62   1955.84  266.314 6.7870  267.781 6.7435  -1.466522      9.567519  
1 1 1 9   25  15 f 256.790 4.5708  35771.84   1271.26  37456.79   1799.42  34092.80   1796.26  262.562 6.3275  250.455 6.6217  12.10675       9.158813  
1 1 1 9   25  16 o 133.385 3.7270  9647.25    538.437  9666.10    640.335  9601.74    994.816  133.481 4.4291  132.685 6.9464  0.7960052      8.238338  
1 1 1 9   25  17 f 55.250  3.9030  1663.99    232.062  1291.95    404.321  1846.76    283.387  48.043  8.0553  58.159  4.5346  -10.11614      9.243910  
1 1 1 9   25  18 o 61.909  3.1818  2083.62    212.630  2055.31    292.457  2115.35    309.691  61.375  4.4292  62.248  4.6264  -0.8736496     6.404838  
1 1 1 9   25  19 o 57.209  3.3723  1781.57    208.035  1807.26    288.297  1753.66    300.493  57.488  4.6705  56.589  4.9525  0.8992081      6.807440  
1 1 1 9   25  20 o 89.283  2.7223  4323.06    263.249  4553.71    391.140  4132.07    355.928  91.562  3.9441  87.232  3.7672  4.330536       5.454121  
1 1 1 9   25  21 o 80.547  2.9145  3521.32    254.262  3254.24    345.392  3837.29    375.675  77.235  4.1440  83.989  4.1297  -6.754135      5.850389  
1 1 1 9   25  22 o 68.403  2.4822  2539.49    183.900  2475.97    309.248  2574.25    228.738  67.264  4.2669  68.829  3.0683  -1.564957      5.255523  
1 1 1 9   25  23 o 122.695 3.0880  8189.26    410.371  9115.88    583.938  7285.05    576.833  129.212 4.1725  115.405 4.6148  13.80685       6.221413  
1 1 1 9   25  24 o 111.415 3.1287  6760.50    377.554  6664.33    525.537  6863.08    542.762  110.318 4.3983  111.928 4.4771  -1.610512      6.276147  
1 1 1 9   25  25 o 57.630  3.6544  1823.13    226.922  1644.56    303.321  2050.12    341.977  54.337  5.2181  60.709  5.2526  -6.371887      7.403968  
1 1 1 9   25  26 o 46.813  4.1631  1213.68    208.879  1023.94    273.825  1477.74    323.036  42.400  6.1415  51.148  5.9419  -8.748150      8.545381  
1 1 1 9   25  27 o 37.276  5.3327  789.816    209.166  655.602    279.619  960.330    315.173  33.072  7.9122  40.355  7.4864  -7.282684      10.89257  
1 1 1 9   25  28 o 46.321  4.5192  1203.81    223.841  1277.70    301.158  1112.60    334.594  47.118  6.0403  43.298  7.4007  3.820061       9.552775  
1 1 1 9   25  29 o 24.645  7.1945  365.152    203.997  199.530    272.120  577.651    308.235  21.155  8.2424  30.353  8.8387  -9.198616      12.08551  
1 1 1 9   25  30 o 12.691  6.0399  -243.3046  227.703  -204.1176  301.527  -295.3084  347.354  15.530  7.2532  15.960  7.5562  -0.4303217     10.47404  
1 1 1 9   25  31 o 33.480  7.0111  715.574    246.089  560.265    336.977  893.058    360.232  28.087  9.4080  35.547  9.2629  -7.459631      13.20273  
1 1 1 9   25  32 o 24.068  8.5246  397.141    278.047  458.940    443.926  357.248    356.674  25.432  10.322  23.470  9.3463  1.961548       13.92480  
1 1 1 9   25  33 o 20.220  8.5681  211.663    325.012  182.114    426.926  252.395    501.237  20.936  9.3239  22.335  10.013  -1.398811      13.68215  
1 1 1 9   25  34 o 20.818  8.4173  283.611    293.995  181.827    359.006  490.845    512.261  19.816  8.6991  24.353  10.545  -4.536943      13.66979  
1 1 1 9   26  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   26  1  o 195.857 7.6312  20796.49   1618.84  20796.49   1618.84  0.0000     0.0000   195.857 7.6312  ?       ?       0.000000       7.631235  
1 1 1 9   26  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   26  3  o 1038.94 34.702  598779.31  39049.63 598779.31  39049.63 0.0000     0.0000   1038.94 34.702  ?       ?       0.000000       34.70203  
1 1 1 9   26  4  o 53.356  4.5064  1553.39    257.987  1571.18    360.010  1534.62    369.888  53.466  6.3404  52.796  6.6135  0.6695099      9.161841  
1 1 1 9   26  5  o 132.352 4.3660  9490.67    625.863  9672.82    883.901  9307.53    886.310  133.586 6.1090  131.037 6.2449  2.549362       8.736037  
1 1 1 9   26  6  o 227.385 4.1857  28013.62   1030.86  26871.81   2075.38  28387.59   1187.74  222.532 8.6106  228.881 4.7912  -6.348816      9.853860  
1 1 1 9   26  7  o 297.838 6.5111  48101.94   2100.42  44391.86   3644.70  49946.83   2570.13  285.702 11.778  303.409 7.8209  -17.70721      14.13834  
1 1 1 9   26  8  o 327.119 6.7876  58043.02   2404.87  55258.47   4171.23  59429.43   2943.28  318.621 12.087  330.879 8.2128  -12.25873      14.61324  
1 1 1 9   26  9  o 244.536 4.4232  32409.44   1171.52  34527.46   1658.45  30299.93   1655.11  252.311 6.0687  236.336 6.4659  15.97461       8.867727  
1 1 1 9   26  10 o 202.572 3.8107  22238.25   836.085  23097.47   1184.81  21385.99   1180.01  206.382 5.3004  198.579 5.4863  7.802887       7.628484  
1 1 1 9   26  11 o 202.528 3.9270  22231.63   861.416  21925.77   1220.02  22535.71   1216.44  201.043 5.6028  203.826 5.5101  -2.782822      7.858320  
1 1 1 9   26  12 f 30.216  3.7714  502.572    120.741  502.302    187.874  502.762    157.594  29.891  6.0114  30.043  5.0203  -0.1521740     7.831988  
1 1 1 9   26  13 o 306.485 5.4477  50973.45   1808.40  51244.22   2558.51  50703.13   2556.41  306.988 7.6948  305.357 7.7295  1.630676       10.90664  
1 1 1 9   26  14 o 320.587 5.9475  55808.06   2065.14  57045.34   2718.22  54118.91   3176.03  323.818 7.7502  315.087 9.3065  8.731354       12.11099  
1 1 1 9   26  15 o 204.814 3.9129  22746.57   868.026  23352.22   1228.42  22142.57   1226.73  207.397 5.4686  201.941 5.6086  5.456085       7.833374  
1 1 1 9   26  16 o 154.228 3.3464  12894.81   559.005  13049.00   792.447  12742.08   788.672  155.069 4.7182  153.232 4.7520  1.836792       6.696469  
1 1 1 9   26  17 f 210.826 4.6729  24126.33   1067.04  23007.56   1849.85  24684.19   1306.25  205.367 8.3164  213.135 5.6585  -7.767807      10.05889  
1 1 1 9   26  18 o 185.585 3.7037  18683.42   744.474  18016.52   1049.53  19358.83   1056.20  182.081 5.3218  188.761 5.1661  -6.679886      7.416883  
1 1 1 9   26  19 o 79.529  2.9443  3429.79    253.621  3539.10    345.757  3302.48    373.158  80.744  3.9536  77.848  4.4440  2.895935       5.948125  
1 1 1 9   26  20 o 57.764  3.2898  1816.70    204.973  1686.45    278.965  1969.52    302.176  55.488  4.6856  59.994  4.6875  -4.506603      6.627762  
1 1 1 9   26  21 o 108.160 2.9323  6350.23    343.513  5965.82    475.260  6770.73    497.074  104.707 4.1907  111.557 4.1139  -6.849869      5.872471  
1 1 1 9   26  22 o 23.228  0.8899  292.281    22.388   -69.2385   193.173  297.203    22.540   14.139  6.2858  23.423  0.8885  -9.283941      6.348318  
1 1 1 9   26  23 o 128.476 3.1124  8980.74    433.096  9012.36    607.410  8948.03    617.699  128.412 4.3672  127.928 4.4580  0.4836731      6.240705  
1 1 1 9   26  24 o 85.182  3.1546  3952.55    291.044  4109.04    399.330  3775.24    425.071  86.645  4.2552  82.810  4.7592  3.834465       6.384138  
1 1 1 9   26  25 o 69.348  3.2460  2624.63    243.806  2604.37    320.633  2652.40    375.394  68.743  4.3284  69.163  5.0460  -0.4199677     6.648127  
1 1 1 9   26  26 o 31.088  6.2339  559.088    202.597  801.297    275.133  272.192    299.440  37.089  7.1077  23.748  8.7851  13.34126       11.30035  
1 1 1 9   26  27 o 72.922  3.4588  2917.93    273.179  2692.17    375.015  3173.17    398.744  69.376  5.0248  75.399  4.9094  -6.022774      7.025044  
1 1 1 9   26  28 o 28.490  2.0446  444.283    62.671   426.751    63.938   873.413    316.334  27.906  2.1315  37.991  7.9432  -10.08502      8.224233  
1 1 1 9   26  29 o 20.470  7.0022  233.151    186.710  286.172    235.457  143.335    306.454  22.556  7.8558  20.771  8.5200  1.785076       11.58896  
1 1 1 9   26  30 o 38.070  5.9570  863.909    237.574  786.843    299.432  994.855    390.311  35.031  8.0595  38.449  9.4416  -3.417820      12.41368  
1 1 1 9   26  31 o 27.782  1.9575  424.903    58.524   267.367    286.458  431.765    59.785   21.673  8.4534  28.000  1.9842  -6.326477      8.683136  
1 1 1 9   26  32 o 30.700  8.6176  671.526    298.271  849.365    371.721  350.019    499.802  33.515  9.6911  24.210  10.449  9.304968       14.25142  
1 1 1 9   26  33 o 13.081  6.3106  -283.1133  268.005  -179.7522  324.528  -504.7814  475.254  15.466  7.3168  16.249  7.9641  -0.7829018     10.81492  
1 1 1 9   26  34 o 21.627  8.8818  318.377    333.532  19.210     393.853  1076.89    627.131  18.422  8.4946  30.630  12.326  -12.20856      14.96931  
1 1 1 9   27  0  o 245.417 8.9988  32667.81   2392.01  32667.81   2392.01  0.0000     0.0000   245.417 8.9988  ?       ?       0.000000       8.998844  
1 1 1 9   27  1  o 195.457 7.6236  20712.57   1613.92  20712.57   1613.92  0.0000     0.0000   195.457 7.6236  ?       ?       0.000000       7.623608  
1 1 1 9   27  2  o 606.701 32.014  203965.70  20962.53 203965.70  20962.53 0.0000     0.0000   606.701 32.014  ?       ?       0.000000       32.01395  
1 1 1 9   27  3  o 370.609 8.8746  74507.22   3562.36  63544.91   5036.22  85484.50   5039.65  341.877 13.601  396.726 11.728  -54.84930      17.95935  
1 1 1 9   27  4  o 691.706 16.138  260659.50  12090.13 272553.09  17099.04 248768.91  17097.00 705.376 22.381  673.527 23.437  31.84943       32.40659  
1 1 1 9   27  5  o 558.654 15.123  169999.20  9150.39  152561.80  16852.96 177288.70  10896.41 524.077 29.813  569.907 17.653  -45.83081      34.64746  
1 1 1 9   27  6  o 372.252 6.2168  75126.28   2506.53  77082.07   5022.86  74477.74   2892.41  376.462 12.319  370.572 7.2064  5.890137       14.27159  
1 1 1 9   27  7  o 452.455 7.8101  111080.70  3827.39  103711.10  7661.42  113531.60  4418.21  435.780 16.232  457.283 8.9205  -21.50369      18.52173  
1 1 1 9   27  8  o 311.851 6.2313  52741.47   2104.72  55331.28   3652.93  51454.46   2575.12  318.989 10.573  307.905 7.7217  11.08408       13.09241  
1 1 1 9   27  9  o 230.183 4.8257  28722.22   1203.11  29583.35   2092.47  28296.94   1470.48  233.383 8.2779  228.414 5.9438  4.969269       10.19078  
1 1 1 9   27  10 o 526.935 9.4270  151028.30  5380.25  157300.59  7036.66  142200.50  8347.92  537.006 12.098  509.551 15.126  27.45511       19.36894  
1 1 1 9   27  11 o 295.498 5.2875  47361.14   1692.29  45942.06   2394.22  48777.94   2392.29  290.798 7.6015  299.667 7.3706  -8.869263      10.58818  
1 1 1 9   27  12 o 251.765 4.5633  34370.99   1244.36  35181.55   1760.88  33562.43   1758.70  254.558 6.3866  248.617 6.5312  5.941040       9.134839  
1 1 1 9   27  13 o 361.807 6.3100  71088.65   2472.74  70425.98   3498.15  71750.43   3495.82  359.607 8.9813  362.992 8.8916  -3.385834      12.63825  
1 1 1 9   27  14 o 157.594 3.3391  13461.46   569.952  13866.81   807.695  13059.42   804.383  159.884 4.6642  155.152 4.7867  4.731323       6.683305  
1 1 1 9   27  15 o 203.698 4.0829  22502.18   900.803  23303.43   1206.59  21493.22   1353.97  207.185 5.3769  198.887 6.2854  8.298691       8.271454  
1 1 1 9   27  16 o 102.260 2.9520  5667.75    326.960  5744.14    455.917  5586.85    469.151  102.909 4.0904  101.483 4.2682  1.425842       5.911777  
1 1 1 9   27  17 o 228.331 4.9378  28308.52   1221.15  29274.57   2114.75  27825.26   1495.72  231.609 8.4301  226.215 6.1046  5.393555       10.40832  
1 1 1 9   27  18 o 156.366 3.3800  13260.17   572.443  12710.50   807.429  13815.68   811.701  152.973 4.8733  159.501 4.6985  -6.528580      6.769409  
1 1 1 9   27  19 o 173.816 3.5502  16393.83   668.359  16058.57   940.441  16735.96   950.038  171.856 5.0524  175.450 4.9994  -3.594513      7.107788  
1 1 1 9   27  20 o 117.840 3.0362  7534.48    387.515  7574.53    538.929  7491.60    557.606  118.048 4.2150  117.383 4.3858  0.6657867      6.082946  
1 1 1 9   27  21 o 33.678  1.9255  616.893    69.946   587.857    222.718  620.070    73.674   32.176  6.6119  33.758  2.0243  -1.582035      6.914860  
1 1 1 9   27  22 o 39.454  3.8883  855.947    163.995  726.186    213.624  1042.17    255.911  35.977  5.6700  43.263  5.5923  -7.286079      7.963813  
1 1 1 9   27  23 f 99.992  3.0268  5439.26    327.812  5989.08    471.559  4925.08    456.023  104.714 4.1578  94.902  4.4365  9.812035       6.080295  
1 1 1 9   27  24 o 72.344  3.3713  2853.84    264.163  2639.86    349.559  3138.76    403.357  69.206  4.6912  75.413  4.9660  -6.207230      6.831423  
1 1 1 9   27  25 o 108.434 3.1405  6414.42    368.835  5672.05    515.845  7190.94    527.576  101.509 4.6918  114.460 4.2556  -12.95045      6.334327  
1 1 1 9   27  26 o 94.652  3.1902  4896.78    327.056  4580.21    456.329  5231.15    468.985  90.963  4.6473  97.410  4.4451  -6.447670      6.430885  
1 1 1 9   27  27 o 34.322  5.5007  674.245    197.577  591.514    255.161  798.124    312.232  31.464  7.5778  36.437  8.1192  -4.973753      11.10607  
1 1 1 9   27  28 o 14.006  6.1898  -40.4252   184.620  -36.3803   237.127  -46.6511   294.187  15.993  7.0441  17.646  7.8051  -1.652853      10.51374  
1 1 1 9   27  29 o 71.454  2.7391  2799.72    211.986  2922.00    374.805  2742.20    257.050  71.915  4.8401  70.493  3.3667  1.421478       5.895800  
1 1 1 9   27  30 f 43.057  1.8665  1012.34    87.046   1028.53    89.222   692.539    396.550  43.394  1.8983  31.502  10.190  11.89234       10.36513  
1 1 1 9   27  31 o 17.885  7.4490  114.137    239.163  143.089    303.190  66.447     389.123  19.654  8.2990  20.109  8.9315  -0.4546680     12.19202  
1 1 1 9   27  32 o 17.958  8.0642  17.360     326.536  1.2373     404.407  47.562     553.501  19.203  8.7622  21.682  10.023  -2.478653      13.31315  
1 1 1 9   27  33 o 20.115  8.5213  210.625    321.332  169.246    420.841  268.478    497.611  20.669  9.2273  22.399  10.014  -1.729218      13.61703  
1 1 1 9   27  34 o 21.767  9.2084  314.100    374.407  218.969    469.672  479.942    620.127  21.261  9.5980  24.329  11.002  -3.068336      14.60008  
1 1 1 9   28  0  o 754.787 25.083  312378.69  20505.57 312378.69  20505.57 0.0000     0.0000   754.787 25.083  ?       ?       0.000000       25.08287  
1 1 1 9   28  1  o 577.659 19.288  182073.41  12068.08 182073.41  12068.08 0.0000     0.0000   577.659 19.288  ?       ?       0.000000       19.28842  
1 1 1 9   28  2  o 221.472 5.8967  26582.63   1414.49  24883.51   2001.24  28278.90   1999.56  214.188 8.6265  228.355 8.0845  -14.16774      11.82264  
1 1 1 9   28  3  o 152.514 4.7109  12603.14   778.194  10057.28   1189.61  14507.49   1028.87  135.934 8.1170  163.611 5.8060  -27.67662      9.979732  
1 1 1 9   28  4  o 131.248 4.5172  9333.44    642.138  9014.31    948.107  9603.88    872.802  128.764 6.8225  133.109 6.0539  -4.346069      9.121237  
1 1 1 9   28  5  o 50.534  4.5991  1395.19    248.972  1232.88    347.271  1566.86    357.134  47.170  7.0104  53.392  6.2969  -6.221600      9.423203  
1 1 1 9   28  6  o 359.172 6.2402  69943.93   2427.55  69744.20   4865.05  70010.14   2801.19  358.026 12.546  359.273 7.1986  -1.246735      14.46443  
1 1 1 9   28  7  o 470.129 7.7400  119935.80  3941.18  117456.80  7889.81  120760.00  4549.46  463.795 15.706  471.588 8.9069  -7.793762      18.05593  
1 1 1 9   28  8  o 367.718 6.2269  73336.42   2480.01  74738.63   4968.01  72871.02   2862.14  370.399 12.383  366.456 7.2111  3.942993       14.33005  
1 1 1 9   28  9  o 210.477 4.6551  24014.27   1061.21  24751.94   1847.56  23651.08   1296.39  213.485 7.9903  208.827 5.7316  4.657410       9.833425  
1 1 1 9   28  10 o 288.878 6.0420  45276.92   1890.46  42448.89   3280.33  46683.26   2313.24  279.134 10.850  293.206 7.2841  -14.07269      13.06844  
1 1 1 9   28  11 o 110.837 2.8849  6656.04    346.323  6617.67    493.442  6693.29    486.189  110.490 4.1233  111.122 4.0396  -0.6316147     5.772320  
1 1 1 9   28  12 f 232.188 4.3582  29231.40   1096.01  29079.42   1550.94  29383.00   1549.04  231.441 6.1871  232.650 6.1474  -1.208572      8.721805  
1 1 1 9   28  13 o 239.773 4.4491  31178.27   1155.44  31637.20   1635.17  30720.62   1632.90  241.366 6.2548  237.835 6.3389  3.531021       8.905304  
1 1 1 9   28  14 o 293.959 5.1887  46895.03   1652.01  46179.09   2336.45  47610.77   2336.13  291.389 7.4031  295.891 7.2895  -4.501709      10.38952  
1 1 1 9   28  15 o 98.659  2.7919  5274.77    298.332  5232.53    426.365  5315.28    417.581  98.228  4.0075  99.006  3.8941  -0.7774429     5.587873  
1 1 1 9   28  16 o 87.954  2.8961  4192.77    275.897  3946.87    387.979  4444.31    392.413  85.298  4.1995  90.521  4.0024  -5.222763      5.801309  
1 1 1 9   28  17 o 85.521  3.5460  3966.41    328.463  4501.18    557.188  3681.59    406.631  90.827  5.6927  82.228  4.5840  8.599594       7.308841  
1 1 1 9   28  18 o 66.520  2.4822  2398.27    178.841  2290.49    315.106  2449.49    217.216  64.792  4.5185  67.215  2.9837  -2.423111      5.414736  
1 1 1 9   28  19 o 85.901  2.7102  4000.91    252.158  4179.88    387.513  3869.47    332.082  87.735  4.0780  84.438  3.6311  3.296898       5.460266  
1 1 1 9   28  20 o 72.400  3.0032  2844.22    235.500  2485.22    323.079  3251.21    343.999  67.453  4.4471  77.231  4.1274  -9.777489      6.067303  
1 1 1 9   28  21 o 101.783 2.9301  5624.54    323.023  5526.61    445.940  5732.65    468.546  100.773 4.0856  102.618 4.2156  -1.845024      5.870574  
1 1 1 9   28  22 o 125.512 3.0494  8562.97    414.540  8067.25    577.377  9090.37    595.540  121.584 4.3844  129.091 4.2594  -7.507553      6.112720  
1 1 1 9   28  23 o 28.086  6.3583  452.692    188.917  530.222    254.779  358.003    281.563  30.263  7.7416  25.806  8.5993  4.456436       11.57069  
1 1 1 9   28  24 o 32.412  1.4945  569.718    52.466   316.497    229.021  583.744    53.899   23.981  7.7424  32.808  1.5168  -8.827206      7.889612  
1 1 1 9   28  25 o 42.830  2.4447  1001.15    112.940  1408.81    304.329  936.034    121.625  50.089  5.7118  41.369  2.7298  8.719875       6.330543  
1 1 1 9   28  26 o 33.867  1.7384  624.531    63.553   636.637    257.861  623.748    65.576   32.858  7.4209  33.840  1.7956  -0.9818802     7.635070  
1 1 1 9   28  27 o 87.673  2.8578  4201.47    271.371  4082.32    428.714  4281.13    350.535  85.661  4.6380  88.237  3.6678  -2.575684      5.913070  
1 1 1 9   28  28 o 93.673  3.3271  4824.22    337.559  4784.62    476.810  4864.02    477.954  92.443  4.7784  93.228  4.7491  -0.7842026     6.737035  
1 1 1 9   28  29 o 16.764  7.0083  59.711     212.829  97.507     302.023  22.431     299.958  19.828  8.3229  18.597  8.0606  1.231184       11.58636  
1 1 1 9   28  30 o 30.247  2.6682  507.900    86.519   1062.32    295.588  455.950    90.481   41.616  6.7922  28.562  2.9681  13.05339       7.412376  
1 1 1 9   28  31 o 41.528  5.6744  1040.29    248.553  1134.08    310.676  873.510    414.293  42.303  7.0271  33.971  10.337  8.332108       12.49899  
1 1 1 9   28  32 o 20.759  8.4158  239.038    294.732  370.790    341.366  -146.7817  584.161  23.522  9.2132  20.561  9.7531  2.961382       13.41662  
1 1 1 9   28  33 o 49.937  6.7817  1631.36    357.316  1934.24    461.722  1179.15    564.179  52.077  8.4775  34.168  12.139  17.90867       14.80591  
1 1 1 9   29  0  o 220.796 5.2646  26416.41   1259.01  27053.84   1613.51  25424.20   2013.07  223.405 6.6682  216.505 8.5846  6.899307       10.87018  
1 1 1 9   29  1  o 328.875 8.0907  58655.99   2881.95  58489.98   4075.71  58822.00   4075.69  328.178 11.466  329.111 11.434  -0.9327393     16.19280  
1 1 1 9   29  2  o 403.977 9.6612  88564.42   4227.23  94351.98   5979.78  82782.98   5976.62  416.585 13.253  390.103 14.145  26.48108       19.38359  
1 1 1 9   29  3  o 331.212 8.1434  59503.11   2921.34  59715.79   4131.44  59290.44   4131.36  331.542 11.505  330.355 11.546  1.186615       16.29985  
1 1 1 9   29  4  o 238.946 6.2329  30951.14   1613.10  31032.22   2281.27  30870.06   2281.28  239.139 8.8076  238.512 8.8308  0.6269073      12.47221  
1 1 1 9   29  5  o 353.521 10.045  67875.52   3846.40  65948.49   6908.66  68741.16   4630.42  346.814 18.458  355.548 12.024  -8.734283      22.02929  
1 1 1 9   29  6  o 271.923 5.2420  40078.01   1543.88  37136.84   4153.84  40549.44   1663.01  260.563 14.779  273.500 5.6140  -12.93661      15.80975  
1 1 1 9   29  7  o 348.241 6.1576  65763.05   2322.52  61629.11   4653.98  67133.99   2680.10  336.373 12.774  351.780 7.0341  -15.40692      14.58282  
1 1 1 9   29  8  o 271.424 5.3038  39942.36   1559.22  38413.96   4195.80  40187.25   1679.50  264.777 14.688  272.231 5.6960  -7.453766      15.75402  
1 1 1 9   29  9  o 54.244  2.1509  1593.80    126.371  1976.85    371.859  1543.79    134.367  60.095  5.7846  53.385  2.3238  6.709663       6.233884  
1 1 1 9   29  10 o 248.396 4.4515  33448.86   1197.61  34477.06   2403.76  33109.35   1381.26  251.803 8.8138  247.088 5.1612  4.714859       10.21374  
1 1 1 9   29  11 o 263.794 5.5489  37752.71   1585.41  37883.48   2752.90  37687.82   1939.29  263.776 9.6357  263.450 6.7963  0.3263245      11.79143  
1 1 1 9   29  12 o 178.524 3.6749  17275.00   710.573  18637.30   958.581  15613.39   1058.66  185.373 4.7743  169.611 5.7628  15.76166       7.483585  
1 1 1 9   29  13 o 306.079 5.6684  50853.59   1879.16  53685.72   2476.15  47007.13   2885.69  314.249 7.2750  293.741 9.0702  20.50797       11.62726  
1 1 1 9   29  14 o 89.388  2.5355  4329.31    245.476  4738.46    378.574  4032.47    322.451  93.489  3.7387  86.250  3.4517  7.238243       5.088443  
1 1 1 9   29  15 o 204.727 3.9059  22728.22   866.089  23842.27   1226.60  21620.58   1223.07  209.557 5.4042  199.531 5.6594  10.02675       7.825249  
1 1 1 9   29  16 o 110.057 2.9269  6565.11    348.893  7379.71    498.956  5785.76    488.042  116.646 3.9493  103.266 4.3635  13.37994       5.885319  
1 1 1 9   29  17 o 150.183 4.6972  12245.14   764.063  12923.47   1083.61  11574.42   1077.51  154.112 6.4918  145.810 6.8228  8.301514       9.417790  
1 1 1 9   29  18 o 201.439 3.9214  22020.63   855.564  23160.22   1210.07  20881.47   1209.84  206.391 5.4131  195.933 5.7010  10.45859       7.861482  
1 1 1 9   29  19 o 146.827 3.2998  11696.54   524.763  12177.10   738.722  11207.01   745.578  149.688 4.5564  143.575 4.7945  6.113251       6.614261  
1 1 1 9   29  20 o 41.113  2.1925  918.971    97.279   1149.32    237.322  872.451    106.650  45.690  4.8708  40.034  2.4717  5.656319       5.462008  
1 1 1 9   29  21 o 100.619 2.9351  5497.31    319.865  5035.81    436.530  6032.40    470.043  96.170  4.1909  105.266 4.1227  -9.095894      5.878742  
1 1 1 9   29  22 o 91.508  2.9231  4550.89    289.711  4304.86    404.033  4811.26    415.639  88.833  4.1993  93.931  4.0854  -5.097946      5.858729  
1 1 1 9   29  23 f 18.908  6.9294  161.790    185.595  357.106    256.646  -52.3223   268.711  25.477  8.1930  17.200  7.5389  8.276550       11.13379  
1 1 1 9   29  24 o 37.984  4.9503  806.192    198.817  755.239    266.838  869.779    298.092  36.202  7.0589  38.830  7.3571  -2.627987      10.19583  
1 1 1 9   29  25 o 103.337 3.2016  5828.72    358.333  6248.82    505.863  5405.63    507.661  106.632 4.3800  99.056  4.7317  7.575447       6.447781  
1 1 1 9   29  26 f 60.974  3.6917  2046.64    242.654  2195.22    331.026  1874.07    356.744  62.775  4.9076  57.654  5.7912  5.121319       7.590983  
1 1 1 9   29  27 o 44.832  4.5906  1125.72    219.761  1078.89    297.235  1182.20    326.385  43.153  6.5665  45.061  6.9077  -1.907593      9.530746  
1 1 1 9   29  28 o 40.003  1.8498  870.744    80.146   807.418    287.908  876.064    83.445   36.653  7.5049  40.118  1.9204  -3.465195      7.746677  
1 1 1 9   29  29 o 26.927  2.6719  401.342    76.897   374.933    79.218   832.389    320.042  25.975  2.8634  36.468  8.2904  -10.49283      8.770967  
1 1 1 9   29  30 o 38.194  5.9983  877.521    239.962  1156.61    302.747  405.879    393.561  43.490  6.6375  25.651  9.9352  17.83901       11.94842  
1 1 1 9   29  31 o 18.122  7.5260  123.684    243.124  -200.1606  312.685  618.794    386.625  15.485  7.2814  28.920  10.067  -13.43472      12.42419  
1 1 1 9   29  32 o 20.600  8.7494  199.400    340.182  170.446    407.118  266.384    619.231  21.045  9.2505  23.947  10.894  -2.902151      14.29176  
1 1 1 9   29  33 o 15.954  7.4211  -92.8859   310.611  -26.6663   361.280  -280.5492  608.192  17.648  8.1371  19.339  9.3725  -1.690725      12.41192  
1 1 1 9   30  0  o 220.391 4.4574  26316.10   1064.02  26505.09   1613.84  26170.79   1415.16  221.119 6.7385  219.744 5.9459  1.374344       8.986753  
1 1 1 9   30  1  o 183.295 5.1621  18205.53   1024.81  16856.93   1448.25  19558.06   1450.36  176.313 7.5838  189.931 7.0503  -13.61832      10.35477  
1 1 1 9   30  2  o 484.053 11.369  127281.30  5960.30  139356.41  8431.01  115216.90  8427.27  505.846 15.388  459.681 16.926  46.16498       22.87571  
1 1 1 9   30  3  o 112.075 4.1573  6805.36    504.655  6591.38    710.773  7022.90    716.643  110.111 5.9822  113.679 5.8401  -3.567574      8.360277  
1 1 1 9   30  4  o 472.003 11.223  121067.60  5737.69  122575.00  8114.96  119560.70  8113.69  474.131 15.802  468.225 15.999  5.906036       22.48730  
1 1 1 9   30  5  o 266.987 6.7982  38656.20   1965.87  37938.22   2780.12  39374.21   2780.19  264.306 9.7115  269.275 9.5325  -4.969452      13.60819  
1 1 1 9   30  6  o 210.730 4.1582  24062.44   949.078  22266.22   1911.69  24649.97   1093.33  202.515 8.7154  213.269 4.7332  -10.75349      9.917762  
1 1 1 9   30  7  o 515.437 8.7281  144287.09  4872.66  135135.80  9751.99  147331.91  5625.19  496.487 18.135  520.620 9.9758  -24.13321      20.69761  
1 1 1 9   30  8  o 392.206 6.8631  83472.04   2915.43  75823.70   5837.94  86013.26   3365.09  372.520 14.469  398.014 7.8060  -25.49374      16.44040  
1 1 1 9   30  9  o 337.391 5.8802  61750.16   2148.81  57937.38   4304.79  63015.45   2479.86  325.907 12.195  340.743 6.7194  -14.83609      13.92381  
1 1 1 9   30  10 o 81.135  2.6909  3566.41    236.469  1783.92    495.174  4093.00    269.142  56.694  8.3107  86.917  2.8589  -30.22254      8.788671  
1 1 1 9   30  11 o 75.923  2.3986  3122.75    197.242  3622.20    464.564  3012.92    217.853  81.545  5.2885  74.573  2.6972  6.972107       5.936550  
1 1 1 9   30  12 o 246.931 5.2525  33082.25   1404.79  32503.04   2439.38  33369.66   1718.33  244.290 9.2194  247.890 6.4000  -3.600266      11.22306  
1 1 1 9   30  13 o 311.507 6.3265  52705.63   2134.53  53081.07   3702.25  52518.68   2612.45  311.696 10.966  310.723 7.7626  0.9727783      13.43577  
1 1 1 9   30  14 o 163.827 3.3692  14548.17   597.835  15423.60   848.758  13686.20   842.211  168.615 4.6475  158.819 4.8961  9.795654       6.750614  
1 1 1 9   30  15 o 108.222 2.8560  6347.17    334.772  6014.93    481.731  6657.48    465.563  105.306 4.2236  110.802 3.8794  -5.495552      5.734803  
1 1 1 9   30  16 o 267.007 4.8336  38699.17   1397.87  37327.84   1976.87  40070.55   1976.90  261.903 6.9689  271.400 6.7252  -9.496552      9.684752  
1 1 1 9   30  17 o 93.043  3.4293  4694.60    345.590  4837.92    423.519  4409.01    597.847  94.424  4.1412  89.822  6.1828  4.601311       7.441560  
1 1 1 9   30  18 o 397.765 6.8072  86237.87   2932.67  82871.27   4146.60  89607.16   4148.26  388.557 9.8530  404.244 9.4744  -15.68680      13.66914  
1 1 1 9   30  19 f 44.073  4.0270  1063.69    190.105  916.955    268.156  1211.94    269.548  40.535  6.3134  46.879  5.4079  -6.343983      8.312958  
1 1 1 9   30  20 o 154.016 3.3569  12880.77   559.989  12931.03   791.436  12830.38   792.451  154.109 4.7415  153.504 4.7663  0.6052551      6.723069  
1 1 1 9   30  21 o 84.983  2.9591  3922.23    272.367  4247.46    382.737  3588.54    387.682  88.333  4.0004  81.027  4.4343  7.306541       5.972172  
1 1 1 9   30  22 o 61.608  3.4274  2072.19    227.799  2154.32    338.805  2004.43    307.743  62.534  5.0452  60.365  4.7451  2.168419       6.926038  
1 1 1 9   30  23 o 44.686  4.2449  1101.28    202.982  1061.73    274.596  1148.92    301.392  43.482  5.9896  45.170  6.3346  -1.688595      8.717963  
1 1 1 9   30  24 o 97.736  3.1118  5205.77    329.410  4751.73    458.018  5692.28    474.113  93.046  4.5448  101.911 4.2953  -8.865570      6.253363  
1 1 1 9   30  25 o 106.836 3.1983  6231.02    370.094  6179.61    522.033  6282.96    524.761  105.962 4.5486  106.849 4.5344  -0.8877945     6.422669  
1 1 1 9   30  26 o 42.844  4.8153  1028.21    219.578  1067.00    284.319  970.874    345.648  43.180  6.2620  40.432  8.1740  2.748146       10.29695  
1 1 1 9   30  27 o 44.123  4.8933  1096.16    229.913  1088.04    322.839  1104.51    327.503  43.059  7.1747  43.368  7.2266  -0.3082619     10.18336  
1 1 1 9   30  28 o 75.483  3.4527  3136.96    282.278  3421.67    387.778  2816.04    411.698  78.218  4.5975  70.488  5.4345  7.730064       7.118309  
1 1 1 9   30  29 o 32.834  1.7803  588.895    63.077   523.789    278.614  592.412    64.758   28.840  8.4048  32.925  1.8230  -4.085480      8.600219  
1 1 1 9   30  30 o 58.265  4.4940  1946.75    281.412  2128.81    370.293  1697.85    432.971  59.886  5.7807  51.440  8.0338  8.445339       9.897417  
1 1 1 9   30  31 o 49.668  5.5961  1481.26    295.801  1660.81    407.067  1280.38    430.574  50.596  7.6685  42.313  9.6136  8.282360       12.29751  
1 1 1 9   30  32 o 29.274  9.3808  650.993    336.680  516.961    391.860  1028.93    658.011  26.052  9.9594  31.808  12.686  -5.756378      16.12821  
1 1 1 9   30  33 o 26.177  1.8904  378.840    53.236   255.230    377.499  381.348    53.773   21.190  9.1133  26.260  1.9035  -5.070675      9.310008  
1 1 1 9   31  0  o 142.678 3.4527  11027.57   533.565  10631.93   754.416  11423.55   754.734  140.074 4.9726  145.198 4.7991  -5.124008      6.910732  
1 1 1 9   31  1  o 345.071 8.4376  64596.74   3153.53  62736.34   4459.60  66457.41   4459.92  339.753 12.119  349.718 11.774  -9.965698      16.89685  
1 1 1 9   31  2  o 561.935 13.138  171759.20  7996.50  184953.91  11310.41 158572.30  11307.11 582.018 17.942  538.546 19.385  43.47205       26.41369  
1 1 1 9   31  3  o 297.976 7.4424  48156.04   2401.94  47875.56   3396.77  48436.54   3396.94  296.882 10.564  298.621 10.503  -1.739471      14.89613  
1 1 1 9   31  4  o 210.309 5.6783  23975.05   1293.43  24317.75   1829.14  23632.30   1829.24  211.710 7.9769  208.699 8.0924  3.010651       11.36304  
1 1 1 9   31  5  o 278.484 7.5113  42074.05   2265.60  33216.62   3947.78  46423.89   2766.54  246.363 14.864  292.434 8.7345  -46.07106      17.24068  
1 1 1 9   31  6  o 516.081 10.238  144766.20  5722.46  135040.00  9916.16  149622.59  7006.93  496.407 18.443  524.231 12.341  -27.82388      22.19098  
1 1 1 9   31  7  o 413.926 7.0938  92971.31   3180.34  93062.23   6369.64  92941.13   3670.62  412.888 14.243  413.722 8.1915  -0.8344727     16.43088  
1 1 1 9   31  8  o 572.390 9.7342  178183.09  6034.77  172921.59  12076.27 179934.41  6967.06  560.116 19.906  574.805 11.191  -14.68878      22.83600  
1 1 1 9   31  9  f 463.902 7.9129  116912.50  3975.87  111656.50  7958.16  118660.80  4589.71  451.063 16.289  467.127 9.0715  -16.06384      18.64503  
1 1 1 9   31  10 o 293.974 5.4222  46877.76   1726.45  46271.58   3226.55  47120.94   2043.61  291.462 10.221  294.641 6.4038  -3.179169      12.06123  
1 1 1 9   31  11 o 203.848 3.8887  22524.71   858.575  21143.59   1725.86  22978.93   989.737  197.193 8.0806  205.864 4.4388  -8.670395      9.219521  
1 1 1 9   31  12 o 144.813 3.1594  11364.55   495.549  11180.55   1000.61  11424.34   570.414  143.482 6.4387  145.178 3.6276  -1.696014      7.390280  
1 1 1 9   31  13 o 290.200 5.9831  45729.96   1880.58  43031.09   3262.04  47073.47   2301.54  280.675 10.730  294.253 7.2215  -13.57767      12.93413  
1 1 1 9   31  14 o 182.883 4.2077  18139.21   833.469  18599.51   1451.92  17912.98   1017.89  184.926 7.2489  181.672 5.1730  3.253891       8.905433  
1 1 1 9   31  15 o 115.925 3.4131  7285.27    428.544  7171.16    751.400  7340.28    521.713  114.725 6.0686  116.333 4.1406  -1.608101      7.346613  
1 1 1 9   31  16 o 87.986  2.9734  4196.27    283.356  4528.63    391.233  3829.56    410.946  91.372  3.9532  83.881  4.5402  7.491333       6.020042  
1 1 1 9   31  17 o 184.512 4.5244  18481.36   904.182  18844.25   1033.82  17300.48   1864.92  186.251 5.1248  177.488 9.7383  8.763123       11.00447  
1 1 1 9   31  18 o 157.420 3.4974  13443.97   596.317  13764.50   806.265  13056.89   886.003  159.176 4.6766  154.963 5.2788  4.212265       7.052416  
1 1 1 9   31  19 o 106.395 3.0010  6140.58    345.828  5853.00    488.660  6429.13    489.489  103.779 4.3474  108.783 4.1544  -5.004295      6.013252  
1 1 1 9   31  20 o 143.250 3.2453  11142.39   503.525  11261.47   708.727  11021.01   715.505  143.830 4.5494  142.271 4.6433  1.559204       6.500577  
1 1 1 9   31  21 o 131.308 3.1455  9368.69    447.354  9626.36    618.602  9086.20    647.711  132.909 4.2972  129.061 4.6336  3.848083       6.319479  
1 1 1 9   31  22 o 66.266  3.2072  2388.91    230.194  2500.14    331.564  2285.41    319.840  67.485  4.5630  64.499  4.6087  2.985275       6.485446  
1 1 1 9   31  23 o 20.742  6.7872  230.776    175.692  200.907    232.303  270.695    268.553  21.036  7.7459  23.459  8.3705  -2.422720      11.40458  
1 1 1 9   31  24 o 46.569  2.2244  1178.38    112.196  1512.94    283.952  1116.48    122.134  52.167  5.0904  45.241  2.5022  6.925430       5.672110  
1 1 1 9   31  25 o 79.340  2.7877  3430.29    239.559  3435.87    403.250  3427.24    297.807  78.805  4.7466  79.169  3.4731  -0.3634186     5.881502  
1 1 1 9   31  26 o 42.095  0.7511  960.180    34.244   -151.8065  243.190  982.674    34.588   14.698  6.7396  42.586  0.7499  -27.88768      6.781201  
1 1 1 9   31  27 o 71.158  3.6076  2792.18    277.135  2932.82    388.481  2646.43    395.469  72.352  4.9878  68.530  5.3710  3.822037       7.329803  
1 1 1 9   31  28 o 38.466  5.3653  847.823    217.443  1079.12    291.691  558.523    326.221  42.992  6.4642  30.036  9.1794  12.95662       11.22713  
1 1 1 9   31  29 o 15.942  6.8253  25.309     210.007  38.291     292.723  11.540     301.459  18.539  7.9991  18.366  8.0191  0.1731434      11.32653  
1 1 1 9   31  30 o 23.553  1.2860  302.684    32.683   -262.0457  262.612  311.569    32.939   13.556  6.4612  23.899  1.2772  -10.34271      6.586185  
1 1 1 9   31  31 o 18.175  7.5671  124.886    246.665  194.829    320.481  23.233     386.358  20.675  8.6179  19.447  8.7490  1.227905       12.28061  
1 1 1 9   31  32 o 27.041  9.2631  549.381    326.746  406.444    381.072  946.247    634.975  24.112  9.6414  30.919  12.416  -6.806164      15.72004  
1 1 1 9   31  33 o 19.079  9.2735  -317.5913  607.042  0.0000     0.0000   -317.5913  607.042  ?       ?       19.079  9.2735  0.000000       9.273463  
1 1 1 9   32  0  o 282.220 5.2723  43164.14   1611.61  44091.38   2468.88  42475.66   2127.38  285.104 7.9951  279.884 7.0177  5.220367       10.63815  
1 1 1 9   32  1  o 266.819 6.7888  38600.66   1961.92  39796.00   2775.13  37406.29   2774.01  270.766 9.4628  262.491 9.7572  8.274750       13.59216  
1 1 1 9   32  2  o 427.761 10.255  99374.80   4751.21  94409.51   6719.52  104339.20  6718.94  416.281 14.903  437.751 14.171  -21.46976      20.56520  
1 1 1 9   32  3  o 369.460 8.9121  74089.89   3566.29  81206.91   5044.88  66980.69   5042.11  386.435 12.053  350.804 13.270  35.63113       17.92706  
1 1 1 9   32  4  o 266.012 6.7540  38375.08   1945.94  34340.06   2751.01  42415.80   2752.95  251.421 10.102  279.508 9.0936  -28.08652      13.59227  
1 1 1 9   32  5  o 351.482 8.5848  67067.81   3268.17  66650.22   4622.31  67485.24   4621.46  349.949 12.195  352.145 12.117  -2.196472      17.19116  
1 1 1 9   32  6  o 387.649 6.5479  81509.67   2749.23  80577.42   5507.01  81819.14   3172.90  384.486 13.224  388.283 7.5446  -3.797546      15.22491  
1 1 1 9   32  7  o 175.384 3.5225  16666.54   669.140  16647.65   1358.05  16672.59   768.961  175.143 7.1590  175.401 4.0476  -0.2584381     8.224051  
1 1 1 9   32  8  o 182.684 3.6758  18085.00   727.317  17653.32   1472.06  18224.41   836.558  180.308 7.5378  183.369 4.2121  -3.061264      8.634800  
1 1 1 9   32  9  o 107.306 2.8430  6238.33    330.425  5454.05    688.430  6473.08    376.645  100.047 6.3864  109.300 3.1816  -9.253349      7.135035  
1 1 1 9   32  10 o 204.816 3.9108  22737.56   867.550  20987.80   1745.80  23311.35   999.726  196.486 8.2034  207.357 4.4514  -10.87048      9.333256  
1 1 1 9   32  11 o 105.249 2.7747  6001.89    316.298  5440.00    657.705  6170.94    360.754  99.921  6.1065  106.714 3.1212  -6.792702      6.857952  
1 1 1 9   32  12 o 92.369  2.8047  4623.13    280.596  3986.10    575.223  4822.05    321.433  85.449  6.2588  94.329  3.1461  -8.879967      7.005045  
1 1 1 9   32  13 o 196.486 3.7904  20930.42   806.646  21497.94   1619.04  20743.03   930.337  198.812 7.5187  195.567 4.3921  3.245041       8.707576  
1 1 1 9   32  14 o 388.950 6.6221  82225.89   2789.70  80052.80   5582.82  82949.07   3220.61  381.590 13.508  390.428 7.6160  -8.837250      15.50694  
1 1 1 9   32  15 o 269.850 5.5593  39547.45   1624.86  41750.40   2819.56  38452.08   1988.20  276.533 9.4138  265.882 6.9040  10.65033       11.67410  
1 1 1 9   32  16 o 329.773 7.1943  59217.56   2569.65  54321.26   4030.57  62570.54   3335.40  314.383 11.837  338.427 9.0994  -24.04370      14.93019  
1 1 1 9   32  17 o 37.210  6.6457  776.336    258.013  764.022    373.209  787.610    357.095  36.670  9.3637  37.219  8.9649  -0.5484390     12.96336  
1 1 1 9   32  18 o 66.756  3.1748  2417.00    229.551  2659.83    325.596  2177.02    323.680  69.851  4.3249  63.117  4.7700  6.733612       6.438750  
1 1 1 9   32  19 o 82.067  2.6983  3652.54    239.849  4032.29    370.782  3379.30    314.516  86.157  3.9734  78.890  3.6809  7.266937       5.416319  
1 1 1 9   32  20 o 20.025  6.5917  210.101    165.625  283.284    223.777  121.448    246.297  23.215  7.6629  19.753  7.7979  3.462856       10.93287  
1 1 1 9   32  21 o 50.841  3.4657  1412.21    189.705  1481.45    259.186  1332.33    278.411  51.899  4.6606  49.075  5.3232  2.823650       7.075131  
1 1 1 9   32  22 o 130.279 3.2549  9236.01    459.277  9691.55    643.943  8764.35    655.237  133.170 4.4645  126.556 4.7802  6.614021       6.540775  
1 1 1 9   32  23 o 61.013  2.4939  2022.90    164.806  2051.94    318.728  2012.30    192.544  60.969  4.8671  60.814  2.9232  0.1557922      5.677509  
1 1 1 9   32  24 o 74.016  3.2872  2988.96    263.526  3218.97    364.198  2736.21    381.788  76.461  4.4165  70.293  5.0483  6.167892       6.707518  
1 1 1 9   32  25 f 24.803  7.0930  355.972    200.135  222.503    279.747  495.903    286.440  22.364  8.4469  29.072  8.5362  -6.708347      12.00903  
1 1 1 9   32  26 o 14.727  6.3093  2.8604     179.692  107.580    235.323  -143.5948  278.294  18.724  7.5447  16.027  7.2958  2.696819       10.49527  
1 1 1 9   32  27 o 36.775  5.4164  773.232    209.282  766.048    278.650  782.529    316.980  35.842  7.4221  35.874  8.3196  -0.3142929E-01 11.14914  
1 1 1 9   32  28 o 24.488  2.2364  329.771    58.661   684.353    307.355  316.366    59.759   33.230  8.5043  23.965  2.3318  9.264915       8.818174  
1 1 1 9   32  29 o 17.455  6.9470  117.890    196.950  297.036    260.171  -122.5597  301.417  22.855  8.2299  16.551  7.5568  6.304560       11.17306  
1 1 1 9   32  30 o 19.532  8.2640  125.978    301.607  135.503    512.181  120.921    373.170  22.977  10.224  20.755  8.9934  2.221645       13.61664  
1 1 1 9   32  31 o 28.171  11.845  610.947    613.445  0.0000     0.0000   610.947    613.445  ?       ?       28.171  11.845  0.000000       11.84502  
1 1 1 9   32  32 o 30.772  12.486  955.095    649.392  0.0000     0.0000   955.095    649.392  ?       ?       30.772  12.486  0.000000       12.48622  
1 1 1 9   32  33 o 22.622  10.547  208.790    633.130  0.0000     0.0000   208.790    633.130  ?       ?       22.622  10.547  0.000000       10.54693  
1 1 1 9   33  0  o 208.750 4.3319  23610.98   979.435  22526.28   1481.61  24452.92   1305.33  203.827 6.7113  212.401 5.6741  -8.574524      8.788406  
1 1 1 9   33  1  o 156.237 5.1473  13229.00   871.028  13382.15   1365.07  13123.83   1131.25  156.850 8.0626  155.575 6.7135  1.274490       10.49172  
1 1 1 9   33  2  o 280.109 8.1232  42571.32   2464.48  40976.29   4322.19  43339.72   2999.93  273.849 14.625  282.504 9.8043  -8.655060      17.60725  
1 1 1 9   33  3  o 196.794 5.4302  20992.00   1157.44  21273.14   1636.48  20710.61   1637.24  198.022 7.6301  195.381 7.7368  2.640564       10.86625  
1 1 1 9   33  4  o 203.553 5.5455  22461.07   1222.60  21108.65   1728.23  23815.98   1729.82  197.219 8.0906  209.510 7.6230  -12.29086      11.11613  
1 1 1 9   33  5  o 331.746 9.2020  59779.88   3306.40  53234.82   5895.67  62782.93   3993.54  311.351 17.554  339.777 10.852  -28.42667      20.63775  
1 1 1 9   33  6  o 286.192 5.1973  44403.50   1611.03  41026.51   3231.43  45520.49   1858.46  274.603 10.865  289.724 5.9224  -15.12033      12.37407  
1 1 1 9   33  7  o 264.416 5.1243  37906.80   1467.56  36530.13   3930.99  38129.75   1581.93  258.217 14.109  265.169 5.5080  -6.951874      15.14598  
1 1 1 9   33  8  f 451.977 7.7205  110952.30  3779.47  109884.50  7567.11  111307.20  4362.59  447.794 15.602  452.483 8.9017  -4.688080      17.96283  
1 1 1 9   33  9  o 267.657 4.7899  38844.53   1388.60  39278.18   2788.71  38701.55   1601.22  268.653 9.5839  267.109 5.5347  1.544037       11.06722  
1 1 1 9   33  10 o 108.168 2.9486  6339.62    345.446  5264.21    712.984  6669.51    394.892  98.232  6.7421  110.940 3.2864  -12.70823      7.500395  
1 1 1 9   33  11 o 121.750 3.0012  8032.23    395.764  6846.17    806.708  8408.18    454.176  112.075 6.6759  124.558 3.3665  -12.48272      7.476727  
1 1 1 9   33  12 o 180.187 3.5688  17598.81   696.496  17564.92   1402.62  17609.90   802.416  179.762 7.2040  180.217 4.1109  -0.4551239     8.294378  
1 1 1 9   33  13 o 114.946 2.9148  7160.00    362.891  6253.37    735.112  7452.13    417.280  107.102 6.3657  117.257 3.2856  -10.15498      7.163604  
1 1 1 9   33  14 o 194.868 3.7791  20589.59   797.634  21650.00   1601.44  20239.74   919.851  199.482 7.4120  193.165 4.3966  6.316772       8.617909  
1 1 1 9   33  15 o 276.142 5.1352  41398.50   1535.91  40695.52   2870.62  41680.46   1818.02  272.918 9.7112  276.947 6.0608  -4.028534      11.44734  
1 1 1 9   33  16 o 102.491 2.9955  5694.17    332.526  4556.54    646.336  6103.69    387.783  91.279  6.5818  106.098 3.3745  -14.81945      7.396426  
1 1 1 9   33  17 o 96.845  4.2097  5090.63    441.568  5086.88    625.018  5094.36    623.927  96.513  6.0089  96.585  5.9938  -0.7274628E-01 8.487221  
1 1 1 9   33  18 o 130.302 3.6311  9213.81    512.463  9991.14    893.312  8832.52    625.651  135.434 6.0898  127.504 4.5304  7.929764       7.590184  
1 1 1 9   33  19 o 80.746  3.6006  3540.25    314.896  3835.91    535.278  3383.78    389.408  83.652  5.9467  78.744  4.5856  4.907516       7.509386  
1 1 1 9   33  20 o 72.815  3.5245  2881.16    277.967  2918.43    481.167  2862.50    340.539  72.779  6.1620  72.384  4.3640  0.3945770      7.550821  
1 1 1 9   33  21 o 82.543  3.4456  3706.01    308.051  3385.93    530.764  3868.60    378.284  78.253  6.3160  84.252  4.1454  -5.999031      7.554905  
1 1 1 9   33  22 o 150.056 3.3468  12258.55   543.940  12063.26   769.816  12453.26   768.679  148.448 4.7879  150.856 4.7045  -2.408417      6.712367  
1 1 1 9   33  23 o 121.661 3.1612  8061.49    416.562  7663.97    582.829  8476.61    595.594  118.265 4.5500  124.418 4.4197  -6.153122      6.343245  
1 1 1 9   33  24 o 14.196  6.1212  -10.9606   171.191  -40.5906   224.173  30.494     265.158  15.730  6.8905  18.325  7.7507  -2.594987      10.37071  
1 1 1 9   33  25 o 82.113  3.2370  3683.76    287.886  3779.23    398.357  3579.40    416.514  82.730  4.4622  80.383  4.8061  2.347198       6.558191  
1 1 1 9   33  26 o 72.534  4.1551  2909.58    325.074  2837.30    593.171  2940.61    388.630  69.725  7.9993  72.599  4.9723  -2.873589      9.418757  
1 1 1 9   33  27 o 16.883  7.2935  1.6957     243.970  4.9773     462.586  0.4311     287.153  22.568  9.8917  18.181  7.8834  4.387434       12.64884  
1 1 1 9   33  28 o 62.128  4.6671  2169.50    311.759  2293.17    570.857  2116.94    372.158  61.149  8.8787  60.820  5.7166  0.3289909      10.55984  
1 1 1 9   33  29 o 19.143  1.6380  201.006    33.635   -362.8553  489.926  203.676    33.714   18.942  8.9697  19.272  1.6304  -0.3299217     9.116699  
1 1 1 9   33  30 o 65.823  5.1671  2537.35    365.421  2130.34    611.804  2763.07    455.621  53.995  10.838  67.496  6.3054  -13.50110      12.53884  
1 1 1 9   33  31 o 25.906  11.389  410.577    617.394  0.0000     0.0000   410.577    617.394  ?       ?       25.906  11.389  0.000000       11.38929  
1 1 1 9   33  32 o 29.936  11.329  803.246    503.785  0.0000     0.0000   803.246    503.785  ?       ?       29.936  11.329  0.000000       11.32857  
1 1 1 9   33  33 o 28.329  11.478  782.166    547.892  0.0000     0.0000   782.166    547.892  ?       ?       28.329  11.478  0.000000       11.47799  
1 1 1 9   34  0  o 324.136 6.0505  56957.33   2124.15  57340.25   3268.88  56677.47   2794.57  324.992 9.2866  323.213 7.9828  1.779510       12.24606  
1 1 1 9   34  1  o 179.204 4.3749  17401.11   849.157  16133.68   1764.29  17783.23   968.744  172.114 9.5010  181.146 4.9375  -9.032516      10.70740  
1 1 1 9   34  2  o 524.245 12.415  149535.41  7049.13  143042.30  9969.23  156027.70  9968.71  511.422 17.997  534.351 17.224  -22.92874      24.91158  
1 1 1 9   34  3  o 338.756 8.3096  62284.11   3048.85  60391.33   4311.58  64177.14   4311.88  333.176 11.948  343.507 11.589  -10.33069      16.64535  
1 1 1 9   34  4  o 543.825 12.795  161067.59  7536.35  143470.91  10657.30 178668.91  10658.73 511.449 19.239  571.466 17.220  -60.01740      25.81996  
1 1 1 9   34  5  o 242.384 6.3006  31863.89   1654.07  30415.12   2338.88  33313.47   2339.53  236.615 9.1263  247.666 8.7215  -11.05110      12.62356  
1 1 1 9   34  6  o 166.462 3.2744  15012.97   590.357  14283.11   1393.76  15172.55   651.707  162.190 7.9340  167.337 3.5958  -5.147568      8.710812  
1 1 1 9   34  7  o 195.183 3.6643  20644.03   774.651  22290.44   1568.28  20112.69   890.924  202.641 7.1454  192.634 4.2701  10.00748       8.324089  
1 1 1 9   34  8  o 135.345 2.9757  9924.70    436.215  9707.51    898.844  9991.61    498.905  133.755 6.2044  135.791 3.3922  -2.035736      7.071201  
1 1 1 9   34  9  o 133.469 3.0244  9651.98    437.211  9441.72    897.685  9717.37    500.597  131.897 6.2838  133.910 3.4515  -2.013031      7.169275  
1 1 1 9   34  10 o 145.813 3.2421  11521.55   512.029  10623.06   1042.10  11807.50   587.886  139.855 6.8796  147.598 3.6774  -7.742706      7.800766  
1 1 1 9   34  11 o 51.377  2.8228  1434.56    156.479  1165.18    355.720  1499.19    174.242  45.718  7.4395  52.508  3.0772  -6.789921      8.050804  
1 1 1 9   34  12 o 230.511 4.3195  28814.55   1078.43  27448.35   2163.64  29266.16   1243.97  224.487 8.8986  232.261 4.9450  -7.774231      10.18028  
1 1 1 9   34  13 o 257.584 4.7309  35995.18   1319.87  34872.32   2645.77  36367.20   1522.90  252.827 9.6618  258.839 5.4322  -6.011169      11.08416  
1 1 1 9   34  14 o 80.637  2.5037  3523.24    218.667  3810.06    503.070  3456.42    242.803  83.580  5.5894  79.863  2.8070  3.716988       6.254645  
1 1 1 9   34  15 o 163.337 3.4030  14464.25   602.030  14269.10   1208.26  14528.71   694.362  161.950 6.8883  163.671 3.9169  -1.720566      7.924048  
1 1 1 9   34  16 o 172.244 3.6306  16090.25   677.315  16690.93   1297.89  15865.45   794.009  175.105 6.8434  170.988 4.2874  4.116882       8.075481  
1 1 1 9   34  17 o 102.129 3.2898  5656.65    363.910  5301.66    649.403  5819.15    439.378  98.512  6.1165  103.554 3.9174  -5.042282      7.263485  
1 1 1 9   34  18 o 126.805 3.1399  8722.07    431.246  8053.70    848.166  8955.10    500.812  121.361 6.4760  128.455 3.5996  -7.094315      7.409118  
1 1 1 9   34  19 o 350.199 7.0665  67138.25   2680.36  60642.41   4643.30  70384.52   3282.48  328.596 13.047  357.725 8.4719  -29.12924      15.55586  
1 1 1 9   34  20 o 116.348 3.5096  7357.08    442.266  8540.61    769.075  6772.30    540.595  124.997 5.6807  111.503 4.4762  13.49332       7.232349  
1 1 1 9   34  21 o 69.283  2.9209  2608.13    219.183  3481.14    537.100  2433.69    240.084  79.326  6.3032  66.894  3.3136  12.43224       7.121155  
1 1 1 9   34  22 o 87.762  3.7024  4198.95    351.930  3458.67    616.483  4556.83    428.638  78.581  7.3277  91.313  4.3340  -12.73189      8.513453  
1 1 1 9   34  23 o 60.085  4.3905  1987.46    283.753  1683.28    515.380  2119.77    339.910  53.793  9.1748  61.888  5.1168  -8.094540      10.50518  
1 1 1 9   34  24 o 95.341  3.3389  4962.04    344.791  5059.74    695.666  4930.22    396.980  94.873  6.8154  94.908  3.8618  -0.3557587E-01 7.833498  
1 1 1 9   34  25 o 19.114  2.6656  202.839    53.681   423.065    467.126  199.892    54.039   29.125  10.933  18.964  2.7077  10.16085       11.26355  
1 1 1 9   34  26 o 47.914  2.1914  1249.63    113.727  1283.39    511.410  1247.88    116.647  45.272  10.614  47.874  2.2496  -2.601818      10.84978  
1 1 1 9   34  27 o 64.074  2.6733  2243.76    185.522  2385.63    564.681  2226.59    196.426  63.123  8.4733  63.791  2.8430  -0.6681633     8.937536  
1 1 1 9   34  28 o 56.496  4.9738  1806.92    301.250  2564.42    553.617  1488.28    359.063  65.316  7.9923  50.321  6.7589  14.99586       10.46709  
1 1 1 9   34  29 o 20.354  8.0391  189.431    261.884  -122.9361  500.613  307.121    307.284  21.033  9.6537  23.449  8.8538  -2.415890      13.09899  
1 1 1 9   34  30 o 38.087  6.2918  890.138    250.490  925.569    531.542  880.024    284.002  33.838  11.802  37.121  7.3238  -3.282791      13.89003  
1 1 1 9   34  31 o 19.996  9.3493  -112.9811  503.138  0.0000     0.0000   -112.9811  503.138  ?       ?       19.996  9.3493  0.000000       9.349257  
1 1 1 9   34  32 o 20.939  9.6539  65.524     508.391  0.0000     0.0000   65.524     508.391  ?       ?       20.939  9.6539  0.000000       9.653866  
1 1 1 9   34  33 o 21.814  9.8358  226.345    491.488  0.0000     0.0000   226.345    491.488  ?       ?       21.814  9.8358  0.000000       9.835791  
1 1 1 9   35  0  o 841.741 23.954  390423.69  21839.12 408575.41  40653.59 383060.50  25892.46 842.292 44.722  830.601 28.781  11.69073       53.18324  
1 1 1 9   35  1  o 202.154 5.0168  22148.50   1098.45  20653.26   2368.09  22558.42   1239.92  194.578 11.285  203.996 5.6118  -9.417847      12.60334  
1 1 1 9   35  2  o 164.210 4.8523  14614.08   863.011  15593.75   1221.51  13637.68   1219.46  169.568 6.6509  158.561 7.1007  11.00732       9.729055  
1 1 1 9   35  3  o 625.768 14.415  213573.59  9769.95  243423.00  13819.22 183745.30  13814.36 666.269 19.150  577.685 22.078  88.58337       29.22626  
1 1 1 9   35  4  o 394.894 11.232  84842.81   4804.10  84297.28   8701.81  85081.98   5761.76  390.966 20.622  395.051 13.466  -4.084930      24.62948  
1 1 1 9   35  5  o 132.462 4.5962  9510.17    659.412  10033.54   982.338  9080.91    889.637  135.994 6.6691  129.388 6.3482  6.606110       9.207429  
1 1 1 9   35  6  o 540.822 10.519  159169.09  6161.92  145389.50  10677.33 166050.00  7545.17  513.997 19.179  551.800 12.625  -37.80383      22.96138  
1 1 1 9   35  7  o 141.748 3.1395  10886.24   482.000  10426.85   989.783  11029.05   551.856  138.612 6.5928  142.664 3.5714  -4.051956      7.497971  
1 1 1 9   35  8  o 285.727 5.1506  44273.54   1593.98  41430.29   3198.81  45212.75   1838.50  275.768 10.710  288.681 5.8800  -12.91394      12.21764  
1 1 1 9   35  9  o 67.796  2.6649  2490.16    195.685  2276.41    440.474  2542.72    218.424  64.445  6.3949  68.505  2.9438  -4.060326      7.039972  
1 1 1 9   35  10 o 231.515 4.2948  29060.42   1076.93  26741.21   2165.23  29822.73   1241.37  221.646 9.0193  234.491 4.8877  -12.84540      10.25855  
1 1 1 9   35  11 f 154.992 3.2846  13019.13   551.397  12524.32   1118.88  13177.85   633.692  151.834 6.8037  155.917 3.7525  -4.082596      7.769860  
1 1 1 9   35  12 o 137.361 3.1162  10225.45   463.619  10679.12   943.482  10081.03   532.321  140.225 6.2121  136.371 3.6040  3.854065       7.181810  
1 1 1 9   35  13 o 262.835 4.7670  37480.01   1357.05  37453.82   2720.97  37488.68   1565.67  262.017 9.5879  262.786 5.5008  -0.7691650     11.05385  
1 1 1 9   35  14 o 228.431 4.1988  28302.45   1038.85  29819.86   2084.59  27801.08   1198.24  233.962 8.2263  226.337 4.8879  7.624832       9.568877  
1 1 1 9   35  15 o 70.045  2.4249  2658.59    183.967  2345.71    452.324  2720.61    201.375  65.361  6.4746  70.854  2.6240  -5.493034      6.986132  
1 1 1 9   35  16 o 206.697 3.9746  23178.41   889.800  22963.38   1778.76  23250.18   1027.61  205.177 8.0042  206.956 4.5844  -1.778717      9.224113  
1 1 1 9   35  17 o 99.561  3.4837  5377.06    375.671  4365.93    630.755  5932.91    467.666  89.287  6.5685  104.546 4.1301  -15.25909      7.759027  
1 1 1 9   35  18 o 243.191 4.5115  32141.46   1188.34  29490.00   2376.87  33025.09   1372.14  231.559 9.4770  246.382 5.1418  -14.82269      10.78205  
1 1 1 9   35  19 o 82.255  3.0616  3671.97    272.758  4275.15    544.811  3470.21    315.090  88.335  5.7252  79.927  3.6397  8.407600       6.784191  
1 1 1 9   35  20 o 189.314 3.8625  19498.05   791.991  19500.31   1501.19  19497.18   932.292  188.198 7.3646  189.143 4.5508  -0.9445343     8.657248  
1 1 1 9   35  21 o 192.711 3.8287  20231.37   799.146  22401.92   1611.89  19523.97   920.201  201.167 7.3979  189.101 4.4928  12.06584       8.655325  
1 1 1 9   35  22 o 63.466  2.3931  2187.59    164.499  1942.29    495.477  2217.97    174.391  58.458  8.0381  63.895  2.5199  -5.436878      8.423798  
1 1 1 9   35  23 o 38.151  5.3184  816.282    213.786  671.511    430.457  863.682    246.311  33.974  10.571  39.087  6.0106  -5.112709      12.16068  
1 1 1 9   35  24 o 67.538  3.6558  2501.39    266.428  2901.24    546.084  2376.48    305.219  71.558  7.1412  65.663  4.3157  5.894783       8.343986  
1 1 1 9   35  25 o 89.137  3.3486  4345.90    323.291  5260.72    664.640  4062.38    370.013  96.631  6.3864  86.008  3.9720  10.62349       7.520820  
1 1 1 9   35  26 o 52.607  4.4565  1541.19    251.538  1807.55    524.357  1461.57    286.676  54.789  9.1595  50.941  5.2721  3.848049       10.56846  
1 1 1 9   35  27 o 46.222  5.3468  1213.91    262.734  1251.81    528.039  1201.44    302.889  43.904  11.098  45.577  6.3046  -1.672703      12.76412  
1 1 1 9   35  28 f 17.032  3.1998  164.666    56.862   656.391    492.564  158.024    57.244   32.003  11.345  16.659  3.2892  15.34342       11.81220  
1 1 1 9   35  29 o 23.111  7.9138  323.040    238.488  104.523    495.212  389.023    272.124  23.082  10.172  24.956  8.4539  -1.874395      13.22660  
1 1 1 9   35  30 f 22.397  9.0550  266.147    340.198  0.0000     0.0000   266.147    340.198  ?       ?       22.397  9.0550  0.000000       9.055010  
1 1 1 9   35  31 o 37.652  11.579  1187.07    518.148  0.0000     0.0000   1187.07    518.148  ?       ?       37.652  11.579  0.000000       11.57907  
1 1 1 9   35  32 o 26.026  10.951  546.519    525.005  0.0000     0.0000   546.519    525.005  ?       ?       26.026  10.951  0.000000       10.95140  
1 1 1 9   35  33 o 18.985  2.4841  203.584    49.854   0.0000     0.0000   203.584    49.854   ?       ?       18.985  2.4841  0.000000       2.484114  
1 1 1 9   36  0  o 757.820 28.210  319051.31  23154.40 328807.59  32745.28 309294.91  32745.27 758.849 39.981  734.651 41.320  24.19849       57.49685  
1 1 1 9   36  1  o 223.385 4.0177  27038.30   972.084  26876.14   1374.86  27200.40   1374.61  222.653 5.7011  223.994 5.6660  -1.340622      8.037770  
1 1 1 9   36  2  o 395.109 9.5352  84808.42   4080.53  85126.22   5771.38  84490.76   5770.11  395.230 13.482  393.743 13.530  1.486694       19.10057  
1 1 1 9   36  3  o 321.531 7.8769  56113.93   2743.14  62948.80   3881.11  49291.18   3877.67  340.247 10.532  300.914 11.898  39.33264       15.88913  
1 1 1 9   36  4  o 363.986 8.8626  71968.71   3493.95  69459.97   4941.35  74477.11   4941.02  356.995 12.779  369.743 12.338  -12.74805      17.76351  
1 1 1 9   36  5  o 97.786  4.0278  5181.93    426.593  4871.60    601.723  5495.53    604.876  94.592  5.9026  100.515 5.5779  -5.923096      8.121226  
1 1 1 9   36  6  o 229.671 4.1975  28589.46   1044.17  27919.67   2100.97  28809.16   1203.29  226.673 8.5576  230.522 4.8194  -3.848434      9.821301  
1 1 1 9   36  7  o 122.509 2.8575  8131.23    379.160  8530.85    791.116  8012.06    432.009  125.403 5.8245  121.601 3.2801  3.802620       6.684638  
1 1 1 9   36  8  o 228.455 4.5379  28295.88   1122.86  26438.88   2927.55  28616.19   1215.85  219.713 12.352  229.724 4.8865  -10.01134      13.28363  
1 1 1 9   36  9  o 266.007 4.7326  38370.82   1363.52  40303.14   2739.44  37734.46   1572.08  272.109 9.2950  263.731 5.5036  8.378601       10.80213  
1 1 1 9   36  10 o 76.432  2.6723  3165.15    221.227  3110.84    484.510  3179.45    248.661  75.470  5.9762  76.600  2.9971  -1.130684      6.685673  
1 1 1 9   36  11 o 59.888  2.7321  1943.32    177.217  1730.88    401.335  1994.77    197.516  56.045  6.7471  60.672  3.0057  -4.627071      7.386268  
1 1 1 9   36  12 o 217.851 4.1380  25734.64   976.377  23871.96   1962.15  26347.65   1125.63  209.364 8.6528  220.388 4.7156  -11.02345      9.854373  
1 1 1 9   36  13 o 330.376 5.8080  59272.50   2078.27  54957.27   4162.26  60705.66   2398.69  316.660 12.136  334.208 6.6266  -17.54736      13.82702  
1 1 1 9   36  14 o 126.922 3.0406  8731.24    417.985  8914.94    837.958  8670.39    482.267  128.093 6.0399  126.461 3.5210  1.632149       6.991203  
1 1 1 9   36  15 o 157.765 3.3226  13494.52   567.760  14160.92   1142.04  13275.74   654.354  161.350 6.5349  156.450 3.8616  4.900085       7.590612  
1 1 1 9   36  16 o 116.946 2.9709  7414.07    376.301  6548.58    761.026  7694.16    432.929  109.511 6.4445  119.117 3.3556  -9.606003      7.265805  
1 1 1 9   36  17 o 260.801 5.8615  37016.11   1655.72  35977.35   2612.53  37713.40   2140.48  256.126 9.4175  262.831 7.5191  -6.704803      12.05098  
1 1 1 9   36  18 o 138.344 3.7002  10390.80   554.450  10864.75   970.097  10160.87   675.686  141.122 6.3467  136.716 4.5630  4.406250       7.816781  
1 1 1 9   36  19 o 145.613 3.2918  11512.88   519.160  11882.13   1041.81  11390.89   598.807  147.361 6.5273  144.773 3.8188  2.587997       7.562347  
1 1 1 9   36  20 o 71.042  3.1209  2741.80    240.140  2535.26    474.039  2813.10    278.523  67.649  6.5518  71.924  3.5753  -4.275261      7.463864  
1 1 1 9   36  21 o 25.595  6.8822  374.148    194.921  827.971    416.934  247.215    220.501  37.646  10.041  22.066  7.6069  15.58051       12.59683  
1 1 1 9   36  22 o 125.239 3.2392  8539.76    439.390  9235.92    888.205  8314.20    505.588  129.268 6.3438  123.454 3.7811  5.813583       7.385202  
1 1 1 9   36  23 o 102.880 3.1957  5768.63    356.101  6433.73    716.337  5550.31    410.403  107.555 6.1751  100.792 3.7594  6.763062       7.229402  
1 1 1 9   36  24 o 99.393  3.2192  5391.48    346.561  5350.69    690.992  5405.19    400.587  97.633  6.5727  99.391  3.7212  -1.757393      7.552947  
1 1 1 9   36  25 o 27.524  7.1907  445.192    216.723  523.628    446.497  421.017    247.881  30.606  10.807  26.842  7.9572  3.763834       13.42012  
1 1 1 9   36  26 o 53.899  4.3839  1616.62    253.712  1702.84    528.349  1590.78    289.242  52.858  9.5815  53.223  5.0792  -0.3643265     10.84451  
1 1 1 9   36  27 o 76.055  3.6599  3187.74    301.488  3840.19    620.219  2985.87    344.990  81.298  7.1153  73.219  4.3702  8.078758       8.350181  
1 1 1 9   36  28 o 54.708  4.5403  1686.31    266.602  1587.20    555.261  1716.00    303.926  49.004  10.756  54.878  5.1744  -5.873455      11.93634  
1 1 1 9   36  29 o 14.784  6.6343  -53.8019   220.579  -127.2205  486.692  -34.8225   247.453  20.520  9.4552  15.923  7.0945  4.596196       11.82082  
1 1 1 9   36  30 o 57.738  3.1174  1861.84    194.224  0.0000     0.0000   1861.84    194.224  ?       ?       57.738  3.1174  0.000000       3.117357  
1 1 1 9   36  31 o 24.932  9.9624  424.839    406.570  0.0000     0.0000   424.839    406.570  ?       ?       24.932  9.9624  0.000000       9.962429  
1 1 1 9   36  32 o 22.373  10.081  224.082    515.304  0.0000     0.0000   224.082    515.304  ?       ?       22.373  10.081  0.000000       10.08118  
1 1 1 9   36  33 o 22.339  9.9144  284.764    478.607  0.0000     0.0000   284.764    478.607  ?       ?       22.339  9.9144  0.000000       9.914446  
1 1 1 9   37  0  o 593.819 10.867  191747.59  6989.23  192309.41  10857.46 191350.00  9133.19  592.967 16.905  592.335 14.236  0.6317139      22.10104  
1 1 1 9   37  1  o 361.742 6.2197  70963.52   2436.91  69549.34   3446.43  72377.50   3446.20  357.862 8.8917  365.086 8.7151  -7.223755      12.45052  
1 1 1 9   37  2  o 516.351 19.002  146316.91  10626.99 148366.70  15028.84 144267.09  15028.83 515.860 26.992  508.447 27.391  7.412567       38.45596  
1 1 1 9   37  3  o 192.250 5.3277  20037.84   1109.36  17859.85   1567.29  22224.68   1570.47  181.376 7.9781  202.378 7.1646  -21.00174      10.72295  
1 1 1 9   37  4  o 70.030  4.1139  2666.89    310.668  3013.36    437.461  2314.38    441.266  74.347  5.4710  65.010  6.3478  9.337158       8.380145  
1 1 1 9   37  5  o 561.897 13.279  172335.09  8081.46  174739.80  11429.99 169931.30  11427.83 563.624 18.723  555.693 18.987  7.930969       26.66604  
1 1 1 9   37  6  o 552.758 10.501  166347.41  6287.04  152740.41  10894.21 173142.09  7698.35  526.459 19.106  563.273 12.619  -36.81384      22.89653  
1 1 1 9   37  7  o 351.404 5.9001  66993.48   2245.61  73857.12   4503.77  64722.56   2590.60  368.087 11.297  345.279 6.9272  22.80780       13.25157  
1 1 1 9   37  8  o 280.547 4.9057  42680.75   1490.66  46951.05   2995.12  41274.73   1718.63  293.721 9.4148  275.818 5.7529  17.90283       11.03332  
1 1 1 9   37  9  o 104.869 2.8310  5958.68    321.556  5932.10    676.064  5966.45    365.552  104.373 6.0057  104.930 3.2165  -0.5567398     6.812789  
1 1 1 9   37  10 o 174.855 3.6891  16572.50   698.667  15980.04   1699.14  16693.06   766.461  171.057 9.2049  175.475 4.0328  -4.417786      10.04952  
1 1 1 9   37  11 o 177.538 3.7851  17087.11   727.853  16403.59   1399.45  17340.56   852.182  173.698 7.4386  178.818 4.4000  -5.120636      8.642520  
1 1 1 9   37  12 o 236.796 4.5966  30415.58   1178.92  31561.12   2223.75  29967.75   1390.39  240.737 8.5285  234.968 5.4633  5.769257       10.12835  
1 1 1 9   37  13 o 261.938 4.6711  37223.96   1325.23  39669.14   2659.69  36416.41   1528.48  269.723 9.1042  258.997 5.4487  10.72614       10.61015  
1 1 1 9   37  14 o 56.013  3.0799  1705.71    186.135  1578.95    398.856  1741.01    210.457  53.414  7.0679  56.563  3.4518  -3.149261      7.865772  
1 1 1 9   37  15 o 121.254 2.9800  7969.72    391.361  8476.97    792.054  7805.88    450.151  124.886 5.8556  119.982 3.4640  4.904182       6.803459  
1 1 1 9   37  16 o 25.208  5.6999  359.233    151.974  286.660    323.578  379.772    172.141  25.241  9.1649  25.905  6.2149  -0.6631756     11.07339  
1 1 1 9   37  17 o 261.966 5.4275  37329.11   1539.97  35621.04   2662.70  38187.60   1887.71  254.691 9.6525  264.686 6.5847  -9.995056      11.68455  
1 1 1 9   37  18 o 123.649 3.5537  8300.11    475.927  7916.59    822.918  8492.86    583.389  120.276 6.3393  125.005 4.3088  -4.729012      7.665054  
1 1 1 9   37  19 o 166.966 3.5822  15147.08   647.807  15185.44   1236.44  15132.57   760.550  166.450 6.8583  166.782 4.2103  -0.3320923     8.047555  
1 1 1 9   37  20 o 138.790 3.2134  10468.47   483.056  11159.30   967.797  10239.26   557.461  142.596 6.2662  137.174 3.7521  5.421432       7.303689  
1 1 1 9   37  21 o 181.230 3.7236  17894.26   730.897  18361.36   1468.37  17740.40   842.713  181.946 7.4511  180.263 4.3162  1.682922       8.611004  
1 1 1 9   37  22 o 159.980 3.5156  13950.13   609.162  12771.21   1224.32  14338.00   702.256  151.368 7.4678  162.035 4.0014  -10.66621      8.472258  
1 1 1 9   37  23 o 64.217  2.6127  2243.16    181.724  2672.22    515.326  2182.23    194.199  68.833  7.0100  63.314  2.8319  5.518597       7.560448  
1 1 1 9   37  24 o 18.581  7.1297  137.665    201.282  688.028    407.248  -40.2387   231.540  33.972  10.229  15.979  7.0011  17.99323       12.39508  
1 1 1 9   37  25 f 42.608  5.0310  1019.33    227.694  1079.46    451.663  998.835    263.647  41.941  10.070  41.871  5.9838  0.7059479E-01  11.71362  
1 1 1 9   37  26 o 68.458  3.7371  2585.53    276.048  2976.06    560.066  2460.22    317.262  71.678  7.3167  66.526  4.4284  5.152054       8.552487  
1 1 1 9   37  27 o 51.146  2.6589  1433.71    146.784  1355.00    541.250  1439.95    152.499  45.674  11.059  51.234  2.7583  -5.560642      11.39785  
1 1 1 9   37  28 o 48.274  2.4410  1278.14    127.217  1145.36    541.074  1285.91    130.886  40.604  11.678  48.404  2.5051  -7.800480      11.94366  
1 1 1 9   37  29 o 53.891  4.9305  1679.08    284.603  1344.84    559.145  1795.96    330.639  42.087  11.794  55.252  5.6025  -13.16505      13.05661  
1 1 1 9   37  30 o 73.530  6.6336  3326.55    522.622  0.0000     0.0000   3326.55    522.622  ?       ?       73.530  6.6336  0.000000       6.633649  
1 1 1 9   37  31 o 36.506  11.616  1141.96    516.972  0.0000     0.0000   1141.96    516.972  ?       ?       36.506  11.616  0.000000       11.61646  
1 1 1 9   37  32 o 21.783  9.7798  201.836    479.936  0.0000     0.0000   201.836    479.936  ?       ?       21.783  9.7798  0.000000       9.779803  
1 1 1 9   38  0  o 363.546 6.7138  71694.77   2643.60  71037.05   4079.41  72170.94   3471.07  361.449 10.420  364.534 8.7914  -3.084747      13.63344  
1 1 1 9   38  1  o 352.325 5.8241  67311.24   2222.50  67696.07   3143.47  66926.59   3142.72  353.105 8.2193  351.088 8.2646  2.017548       11.65588  
1 1 1 9   38  2  o 411.327 8.2699  91872.20   3684.31  90785.76   6387.35  92413.91   4510.24  407.761 14.463  412.266 10.101  -4.504517      17.64059  
1 1 1 9   38  3  o 229.245 6.0504  28503.54   1502.30  28741.97   2124.66  28265.13   2124.49  230.030 8.5277  228.108 8.5989  1.921875       12.11048  
1 1 1 9   38  4  o 333.665 8.1832  60470.07   2957.36  54408.39   4181.64  66535.73   4183.02  315.929 12.220  349.578 11.048  -33.64841      16.47403  
1 1 1 9   38  5  o 318.542 7.8861  55111.10   2720.82  55281.80   3848.58  54940.53   3847.07  318.571 11.154  317.581 11.184  0.9898682      15.79538  
1 1 1 9   38  6  o 251.035 4.3290  34159.82   1177.05  34292.50   2366.56  34116.21   1356.77  251.166 8.6993  250.836 4.9940  0.3299255      10.03087  
1 1 1 9   38  7  o 391.738 6.5432  83295.81   2776.22  85370.65   5562.52  82607.53   3203.77  395.265 12.993  389.964 7.5852  5.300659       15.04514  
1 1 1 9   38  8  f 111.183 2.8158  6697.55    339.091  6113.15    711.301  6869.42    385.744  105.945 6.2261  112.594 3.1631  -6.648804      6.983529  
1 1 1 9   38  9  o 65.939  2.3445  2355.43    167.439  2138.70    263.888  2501.50    216.633  62.691  3.9058  67.946  2.9437  -5.254219      4.890839  
1 1 1 9   38  10 o 22.749  4.1106  289.242    97.556   286.956    295.156  289.522    103.366  24.741  8.7809  22.727  4.3577  2.014194       9.802746  
1 1 1 9   38  11 o 136.492 3.1255  10096.33   462.063  9540.71    945.658  10270.58   529.585  132.521 6.5884  137.651 3.5521  -5.129318      7.484937  
1 1 1 9   38  12 o 148.010 3.2163  11873.35   515.604  12809.33   1051.44  11577.01   591.623  153.555 6.3219  146.130 3.7380  7.424530       7.344331  
1 1 1 9   38  13 o 198.966 3.8977  21466.41   839.952  20674.09   1691.36  21725.79   967.718  194.854 8.0142  200.124 4.4646  -5.270554      9.173824  
1 1 1 9   38  14 o 79.388  2.5116  3415.17    215.959  3368.32    506.112  3425.59    238.789  78.503  5.9977  79.504  2.7730  -1.000557      6.607771  
1 1 1 9   38  15 o 159.379 3.3894  13773.36   585.095  13456.17   1177.26  13877.41   674.265  157.225 6.9132  159.948 3.8921  -2.723038      7.933527  
1 1 1 9   38  16 o 312.174 5.3517  52970.88   1809.49  55889.46   3623.54  52001.29   2088.54  318.994 10.488  309.100 6.2384  9.894531       12.20286  
1 1 1 9   38  17 o 265.707 5.5183  38418.50   1588.12  35945.71   2746.79  39660.18   1946.42  255.647 9.9201  269.670 6.6640  -14.02348      11.95059  
1 1 1 9   38  18 o 111.528 3.4694  6752.87    419.094  6028.96    730.683  7107.77    511.614  104.866 6.4647  114.363 4.1304  -9.496086      7.671484  
1 1 1 9   38  19 o 102.305 3.0216  5682.08    334.818  5361.25    656.066  5795.06    389.336  98.805  6.1612  103.275 3.4806  -4.470688      7.076418  
1 1 1 9   38  20 o 85.228  3.0607  3946.92    282.532  4604.06    615.111  3771.21    318.070  91.360  6.2538  83.263  3.5270  8.096939       7.179829  
1 1 1 9   38  21 o 101.594 3.1570  5614.75    347.386  5851.93    709.597  5539.99    398.391  102.814 6.4040  100.840 3.6476  1.974129       7.369964  
1 1 1 9   38  22 o 125.145 3.2188  8528.95    436.288  7826.50    885.825  8753.93    501.307  118.498 6.9321  126.683 3.6536  -8.184929      7.835951  
1 1 1 9   38  23 o 77.594  3.3246  3284.65    279.409  3726.46    569.260  3144.44    320.697  81.574  6.4968  75.713  3.9242  5.861748       7.589998  
1 1 1 9   38  24 o 115.258 3.2637  7254.33    407.423  7490.65    808.263  7173.83    471.739  115.552 6.4843  114.446 3.8057  1.106430       7.518597  
1 1 1 9   38  25 o 79.059  3.4219  3423.34    293.017  3579.71    586.924  3371.43    338.176  79.230  6.9086  78.197  4.0063  1.032394       7.986173  
1 1 1 9   38  26 o 62.153  3.9118  2137.37    261.990  1435.09    517.714  2379.13    303.756  47.896  10.287  65.441  4.3096  -17.54532      11.15307  
1 1 1 9   38  27 o 70.213  3.7719  2728.81    285.796  3135.28    578.472  2597.56    328.716  73.120  7.4064  68.200  4.4749  4.920197       8.653312  
1 1 1 9   38  28 o 33.344  7.2397  679.473    253.965  759.859    505.922  652.392    293.643  33.433  11.523  32.145  8.3566  1.288399       14.23392  
1 1 1 9   38  29 f 29.636  1.2962  477.729    41.608   437.279    506.467  478.004    41.749   26.820  10.972  29.644  1.3003  -2.823818      11.04836  
1 1 1 9   38  30 o 75.845  6.8628  3575.14    557.662  0.0000     0.0000   3575.14    557.662  ?       ?       75.845  6.8628  0.000000       6.862826  
1 1 1 9   38  31 o 26.278  10.643  516.617    470.844  0.0000     0.0000   516.617    470.844  ?       ?       26.278  10.643  0.000000       10.64278  
1 1 1 9   38  32 o 17.029  8.3085  -453.3907  500.284  0.0000     0.0000   -453.3907  500.284  ?       ?       17.029  8.3085  0.000000       8.308496  
1 1 1 9   39  0  o 179.104 3.6398  17381.13   706.086  17042.10   998.892  17719.70   998.221  177.300 5.2016  180.794 5.0977  -3.494232      7.283085  
1 1 1 9   39  1  o 206.307 4.0240  23064.87   899.178  21521.17   1271.42  24609.61   1271.84  199.208 5.8926  213.042 5.5119  -13.83363      8.068691  
1 1 1 9   39  2  o 456.956 8.6126  113433.10  4262.65  109862.20  7388.60  115214.60  5218.74  448.232 15.219  460.190 10.470  -11.95715      18.47289  
1 1 1 9   39  3  o 385.769 9.3418  80901.43   3903.28  80282.98   5520.51  81519.69   5519.64  383.543 13.289  386.509 13.185  -2.965973      18.72015  
1 1 1 9   39  4  o 216.654 5.7912  25459.18   1358.95  23133.29   1920.93  27789.50   1922.76  206.328 8.5957  226.205 7.8479  -19.87733      11.63941  
1 1 1 9   39  5  o 285.657 7.1810  44301.80   2221.78  46022.57   3143.36  42583.85   3140.79  290.813 9.9795  279.684 10.368  11.12903       14.39063  
1 1 1 9   39  6  o 258.476 4.6639  36221.78   1305.69  32764.03   2621.97  37361.99   1505.65  245.351 9.8666  262.470 5.2963  -17.11909      11.19829  
1 1 1 9   39  7  o 131.581 3.0272  9380.89    431.427  9031.99    888.583  9488.50    493.497  128.999 6.3598  132.323 3.4433  -3.324249      7.232090  
1 1 1 9   39  8  f 288.472 5.1285  45137.25   1602.36  46338.01   3217.55  44741.24   1847.80  291.604 10.187  287.126 5.9417  4.478424       11.79349  
1 1 1 9   39  9  o 333.264 5.8141  60278.32   2098.67  60944.73   4208.31  60057.71   2421.24  334.016 11.632  332.533 6.7225  1.483002       13.43525  
1 1 1 9   39  10 o 165.794 3.4016  14897.86   610.840  14355.84   1240.64  15071.29   701.799  162.536 7.0474  166.736 3.8861  -4.199768      8.047798  
1 1 1 9   39  11 o 219.829 4.1694  26204.12   992.717  27207.84   1999.08  25875.58   1143.70  223.579 8.2552  218.398 4.8350  5.181320       9.566909  
1 1 1 9   39  12 o 201.908 3.9218  22104.39   857.635  20084.70   1728.64  22763.87   987.779  192.051 8.3103  204.861 4.4517  -12.80968      9.427565  
1 1 1 9   39  13 o 278.300 5.2794  42046.19   1591.37  43084.26   2981.01  41632.45   1881.96  280.880 9.7988  276.788 6.2776  4.091553       11.63722  
1 1 1 9   39  14 o 323.410 5.6536  56823.09   1980.39  56356.86   3967.71  56977.78   2285.43  320.516 11.429  323.681 6.5190  -3.164642      13.15777  
1 1 1 9   39  15 o 173.166 3.5885  16262.63   673.055  16182.98   1296.92  16291.99   787.385  172.402 6.9455  173.277 4.1954  -0.8746033     8.114251  
1 1 1 9   39  16 o 137.646 3.1826  10274.40   474.475  8901.21    956.255  10722.89   546.492  127.607 6.9449  140.592 3.5888  -12.98500      7.817382  
1 1 1 9   39  17 f 188.145 4.2751  19228.89   871.182  16040.89   1500.89  20848.71   1069.85  171.166 8.0958  195.791 5.0450  -24.62550      9.539107  
1 1 1 9   39  18 o 160.021 3.9730  13915.70   688.606  13350.10   1197.16  14195.36   841.802  156.148 7.0786  161.491 4.8127  -5.342316      8.559707  
1 1 1 9   39  19 o 124.391 3.0359  8401.76    409.017  7823.81    803.185  8604.12    475.257  119.370 6.2339  125.826 3.4873  -6.456154      7.143000  
1 1 1 9   39  20 o 170.238 3.5393  15769.28   652.600  17011.36   1316.33  15364.49   751.453  175.648 6.9191  167.895 4.1323  7.753204       8.059157  
1 1 1 9   39  21 o 80.395  3.2087  3517.12    279.405  3972.16    580.680  3380.02    318.727  84.613  6.3832  78.745  3.7370  5.867554       7.396685  
1 1 1 9   39  22 o 45.001  4.4773  1119.59    215.331  1241.92    453.470  1083.97    244.676  46.011  9.4166  44.110  5.2228  1.901428       10.76802  
1 1 1 9   39  23 o 33.532  6.1136  642.407    213.856  113.516    427.240  819.225    247.031  23.871  9.9502  37.940  6.2276  -14.06950      11.73843  
1 1 1 9   39  24 o 54.267  2.3935  1602.28    140.684  1736.01    486.532  1590.08    146.962  54.491  8.5228  54.047  2.5105  0.4437103      8.884871  
1 1 1 9   39  25 o 31.651  1.2324  543.337    42.248   409.079    425.497  544.674    42.458   28.154  10.461  31.690  1.2370  -3.535328      10.53384  
1 1 1 9   39  26 o 26.249  2.1672  377.754    61.063   285.989    440.152  379.555    61.659   26.009  10.375  26.310  2.1835  -0.3007851     10.60188  
1 1 1 9   39  27 o 35.945  1.9396  705.430    75.235   141.242    448.006  721.803    76.319   23.791  10.069  36.360  1.9450  -12.56931      10.25538  
1 1 1 9   39  28 o 22.090  7.7556  278.155    229.707  237.998    463.834  291.204    264.408  24.684  10.335  22.814  8.2845  1.869795       13.24558  
1 1 1 9   39  29 o 22.075  7.9822  290.886    245.091  198.734    507.956  318.850    279.818  23.795  10.399  23.017  8.4968  0.7784405      13.42890  
1 1 1 9   39  30 o 33.857  11.024  902.150    463.743  0.0000     0.0000   902.150    463.743  ?       ?       33.857  11.024  0.000000       11.02434  
1 1 1 9   39  31 o 24.656  10.505  396.011    493.175  0.0000     0.0000   396.011    493.175  ?       ?       24.656  10.505  0.000000       10.50494  
1 1 1 9   39  32 o 16.466  7.9812  -374.5746  441.433  0.0000     0.0000   -374.5746  441.433  ?       ?       16.466  7.9812  0.000000       7.981201  
1 1 1 9   40  0  o 51.053  2.4241  1411.87    134.044  1339.88    191.372  1481.20    187.813  49.598  3.5866  52.179  3.3408  -2.581116      4.901455  
1 1 1 9   40  1  o 302.279 5.6244  49550.27   1841.42  47798.64   2827.47  50840.39   2426.57  296.596 8.8016  306.044 7.3205  -9.448395      11.44805  
1 1 1 9   40  2  o 305.558 6.1555  50647.39   2037.18  55665.96   3536.97  48156.09   2492.04  319.869 10.209  297.804 7.7260  22.06482       12.80303  
1 1 1 9   40  3  o 203.583 4.6573  22467.62   1026.94  19844.50   1787.18  23760.68   1254.79  191.097 8.6346  209.316 5.5347  -18.21878      10.25622  
1 1 1 9   40  4  f 132.538 3.2223  9517.84    462.569  10505.11   818.812  9055.08    560.594  139.178 5.4318  129.258 4.0042  9.920197       6.748190  
1 1 1 9   40  5  o 163.192 4.3292  14436.00   765.205  12559.67   1335.46  15353.15   933.676  151.818 8.1513  168.264 5.1231  -16.44609      9.627607  
1 1 1 9   40  6  o 153.654 2.9464  12791.67   490.352  14778.84   1002.94  12167.45   562.117  165.057 5.6101  149.844 3.4635  15.21312       6.593093  
1 1 1 9   40  7  o 322.573 5.4721  56447.70   1911.84  61440.65   3835.05  54796.49   2205.43  335.751 10.546  317.718 6.4089  18.03302       12.34055  
1 1 1 9   40  8  o 254.727 4.6182  35185.30   1274.13  36650.42   2563.48  34704.61   1468.34  259.480 9.1213  252.923 5.3601  6.557541       10.57960  
1 1 1 9   40  9  o 102.867 2.7545  5733.38    306.898  6046.54    651.346  5644.02    347.942  105.396 5.7273  102.054 3.1478  3.341316       6.535362  
1 1 1 9   40  10 o 235.699 4.5684  30129.90   1166.25  32090.57   2203.72  29367.14   1374.51  242.824 8.3790  232.624 5.4554  10.20062       9.998467  
1 1 1 9   40  11 o 197.965 3.8027  21246.74   815.360  23691.33   1647.94  20454.30   938.253  208.738 7.2890  194.198 4.4607  14.54012       8.545612  
1 1 1 9   40  12 o 146.220 3.2830  11588.66   519.940  11834.32   1028.65  11504.36   602.583  147.578 6.4354  145.665 3.8194  1.913651       7.483441  
1 1 1 9   40  13 o 160.001 3.4177  13878.59   592.287  12540.55   1200.57  14309.00   680.916  151.808 7.3017  162.439 3.8702  -10.63144      8.263986  
1 1 1 9   40  14 o 161.913 3.3947  14213.99   595.317  15244.01   1206.74  13882.68   684.395  167.396 6.6557  159.982 3.9497  7.414886       7.739451  
1 1 1 9   40  15 o 24.341  5.4051  334.630    138.790  139.990    321.158  379.328    153.904  22.291  8.8712  25.919  5.6424  -3.628439      10.51353  
1 1 1 9   40  16 o 249.379 4.5486  33777.35   1228.60  33105.11   2461.85  34000.30   1417.77  245.767 9.2484  250.083 5.2342  -4.315659      10.62688  
1 1 1 9   40  17 o 195.047 4.6506  20681.86   982.466  21252.56   1581.92  20323.51   1253.52  197.139 7.4087  193.106 5.9933  4.033844       9.529354  
1 1 1 9   40  18 o 126.327 3.5738  8668.29    488.991  8835.09    848.027  8585.20    598.512  127.164 6.1571  125.624 4.3988  1.540131       7.566944  
1 1 1 9   40  19 o 52.018  3.4289  1476.97    192.102  1501.16    372.224  1468.19    224.279  51.861  6.7897  51.785  4.0304  0.7651901E-01  7.895835  
1 1 1 9   40  20 o 87.502  3.2119  4163.41    304.404  4535.99    629.535  4049.72    347.762  90.555  6.4610  86.239  3.7232  4.316048       7.456956  
1 1 1 9   40  21 o 11.394  5.3632  -182.5736  170.394  -191.6761  488.655  -181.3136  181.805  21.932  9.8560  11.939  5.5940  9.993805       11.33280  
1 1 1 9   40  22 o 89.631  2.8581  4371.25    277.467  4032.81    633.532  4451.58    308.643  84.852  6.9545  90.404  3.1521  -5.551857      7.635500  
1 1 1 9   40  23 o 88.000  3.3504  4226.49    319.335  4344.24    627.030  4185.26    371.060  88.007  6.6268  87.446  3.9177  0.5607834      7.698222  
1 1 1 9   40  24 o 108.640 3.2603  6448.77    383.637  5955.71    759.413  6617.72    444.531  102.651 6.8700  109.902 3.7345  -7.250908      7.819432  
1 1 1 9   40  25 o 26.172  7.3942  402.995    218.864  1047.32    428.424  175.460    254.593  41.297  9.7368  20.659  7.9939  20.63879       12.59786  
1 1 1 9   40  26 o 82.873  3.5141  3775.42    315.430  3868.33    613.292  3742.01    367.807  81.871  6.9830  82.169  4.1461  -0.2986679     8.121116  
1 1 1 9   40  27 o 21.600  7.2480  262.957    200.011  320.131    319.539  226.126    256.466  24.533  9.0753  21.522  8.0968  3.010975       12.16222  
1 1 1 9   40  28 o 37.742  6.2276  848.359    245.698  841.063    466.250  851.164    289.095  34.692  11.031  37.120  7.4496  -2.427349      13.31095  
1 1 1 9   40  29 o 7.7480  3.0635  19.122     38.068   0.0000     0.0000   19.122     38.068   ?       ?       7.7480  3.0635  0.000000       3.063472  
1 1 1 9   40  30 o 57.139  7.5376  2099.79    455.094  0.0000     0.0000   2099.79    455.094  ?       ?       57.139  7.5376  0.000000       7.537578  
1 1 1 9   40  31 o 20.669  9.3856  74.030     456.919  0.0000     0.0000   74.030     456.919  ?       ?       20.669  9.3856  0.000000       9.385599  
1 1 1 9   40  32 o 23.302  10.162  341.075    482.718  0.0000     0.0000   341.075    482.718  ?       ?       23.302  10.162  0.000000       10.16159  
1 1 1 9   41  0  o 225.415 4.0864  27537.78   997.676  27271.68   1411.40  27803.52   1410.45  224.238 5.8113  226.417 5.7515  -2.179413      8.176207  
1 1 1 9   41  1  o 532.877 9.0220  154344.80  5207.17  150621.50  7363.76  158068.70  7364.33  525.391 12.940  538.318 12.631  -12.92755      18.08274  
1 1 1 9   41  2  o 452.101 8.2207  111038.70  4025.46  108479.00  6234.46  112868.80  5271.63  445.837 12.911  455.320 10.690  -9.482391      16.76167  
1 1 1 9   41  3  o 416.375 8.1993  94190.35   3697.69  97583.12   6411.65  92499.55   4526.24  422.507 14.011  412.271 10.136  10.23566       17.29311  
1 1 1 9   41  4  o 356.368 5.9557  68897.87   2298.82  71142.31   4608.50  68154.41   2652.37  361.198 11.780  354.332 6.9112  6.866608       13.65767  
1 1 1 9   41  5  o 525.676 8.3783  150199.41  4770.31  155631.59  9550.21  148393.59  5506.43  532.273 16.566  522.172 9.7361  10.10071       19.21493  
1 1 1 9   41  6  o 576.271 12.181  181334.20  7602.98  164676.50  18322.75 184798.91  8356.35  535.803 31.714  581.303 13.272  -45.50073      34.37936  
1 1 1 9   41  7  o 271.978 4.8482  40115.92   1428.19  39976.44   2867.75  40161.92   1646.96  270.922 9.7730  272.070 5.5890  -1.148651      11.25822  
1 1 1 9   41  8  o 215.990 4.0111  25289.99   938.360  24045.93   1893.57  25694.94   1080.34  210.257 8.3150  217.678 4.5822  -7.421188      9.493963  
1 1 1 9   41  9  o 116.313 2.8892  7330.63    363.982  7194.89    759.792  7371.06    414.659  114.955 6.1244  116.624 3.2827  -1.668083      6.948710  
1 1 1 9   41  10 o 204.724 3.9306  22722.80   871.571  21207.54   1759.55  23215.47   1003.30  197.409 8.2293  206.897 4.4772  -9.488434      9.368413  
1 1 1 9   41  11 o 65.051  2.7364  2292.95    192.801  2723.53    435.979  2188.27    214.962  70.593  5.7521  63.543  3.1234  7.050514       6.545367  
1 1 1 9   41  12 o 105.762 2.8846  6061.86    330.440  6028.85    691.000  6071.65    376.249  105.173 6.0921  105.837 3.2822  -0.6643524     6.920048  
1 1 1 9   41  13 f 262.915 4.7009  37511.71   1338.66  38882.39   2688.56  37059.89   1543.60  266.873 9.3013  261.233 5.4555  5.640350       10.78319  
1 1 1 9   41  14 o 217.954 4.1115  25771.34   970.596  26253.38   1952.96  25613.23   1118.51  219.403 8.2183  217.219 4.7541  2.183228       9.494328  
1 1 1 9   41  15 o 120.012 3.0057  7808.63    390.701  8073.04    800.111  7725.84    447.708  121.819 6.0641  119.353 3.4633  2.466545       6.983383  
1 1 1 9   41  16 o 44.056  3.6672  1060.46    173.400  798.067    367.368  1135.68    196.689  37.421  9.1421  45.562  4.0272  -8.141483      9.989825  
1 1 1 9   41  17 o 70.716  3.5795  2721.66    273.268  2289.28    458.685  2959.57    340.241  64.409  6.6717  73.674  4.2823  -9.264648      7.927835  
1 1 1 9   41  18 o 97.332  3.3714  5144.87    355.417  5507.43    617.085  4964.90    434.772  100.282 5.7049  95.540  4.2015  4.741798       7.085141  
1 1 1 9   41  19 o 61.852  2.5046  2076.02    167.788  2118.59    523.025  2071.13    177.151  61.409  8.0580  61.771  2.6478  -0.3620949     8.481897  
1 1 1 9   41  20 o 50.356  3.9266  1390.18    212.469  1315.61    476.112  1408.72    237.421  47.622  9.5627  50.619  4.3734  -2.996475      10.51533  
1 1 1 9   41  21 o 80.811  2.7723  3550.05    242.656  2987.41    591.804  3663.76    266.048  72.874  7.6100  82.070  2.9930  -9.195274      8.177453  
1 1 1 9   41  22 o 68.474  3.4154  2557.06    253.303  2875.78    529.821  2462.62    288.399  71.540  6.9244  66.997  3.9925  4.542801       7.992911  
1 1 1 9   41  23 o 67.142  3.6939  2472.40    267.592  2469.05    532.488  2473.53    309.513  65.791  7.6133  67.013  4.2868  -1.222000      8.737171  
1 1 1 9   41  24 o 69.090  2.7266  2601.74    204.033  2458.82    539.120  2625.63    220.429  65.308  7.7745  69.372  2.9337  -4.064171      8.309552  
1 1 1 9   41  25 o 42.119  2.2631  968.583    102.863  1257.77    459.607  953.334    105.540  45.341  9.6548  41.773  2.3421  3.568607       9.934802  
1 1 1 9   41  26 o 17.435  1.6626  166.674    31.016   -369.5160  421.639  169.591    31.100   17.896  8.4275  17.590  1.6518  0.3064499      8.587890  
1 1 1 9   41  27 o 66.309  2.7611  2408.82    198.301  2361.43    543.661  2416.09    212.974  62.521  8.2284  66.351  2.9635  -3.830635      8.745762  
1 1 1 9   41  28 o 39.987  5.9838  947.180    251.191  261.000    480.867  1204.68    294.576  24.933  10.486  45.040  6.2031  -20.10680      12.18310  
1 1 1 9   41  29 o 21.136  8.2892  234.469    276.600  0.0000     0.0000   234.469    276.600  ?       ?       21.136  8.2892  0.000000       8.289213  
1 1 1 9   41  30 o 20.064  8.9900  48.108     403.438  0.0000     0.0000   48.108     403.438  ?       ?       20.064  8.9900  0.000000       8.990029  
1 1 1 9   41  31 o 28.066  10.417  632.696    421.741  0.0000     0.0000   632.696    421.741  ?       ?       28.066  10.417  0.000000       10.41735  
1 1 1 9   41  32 o 31.114  11.320  889.815    494.010  0.0000     0.0000   889.815    494.010  ?       ?       31.114  11.320  0.000000       11.31999  
1 1 1 9   42  0  o 323.777 5.6252  56855.29   1972.68  58039.22   2790.24  55672.10   2789.35  326.899 7.8806  320.144 8.0443  6.755066       11.26118  
1 1 1 9   42  1  o 353.393 6.2126  67755.90   2377.94  65511.39   3363.06  70000.00   3362.76  347.152 8.9443  358.892 8.6509  -11.73935      12.44341  
1 1 1 9   42  2  o 37.645  0.9795  767.509    39.938   532.058    130.237  791.948    41.959   31.082  3.9584  38.240  1.0131  -7.157711      4.085989  
1 1 1 9   42  3  o 212.272 4.3229  24424.66   993.881  24934.60   1731.92  24174.27   1213.60  214.279 7.4624  211.131 5.3071  3.147949       9.157070  
1 1 1 9   42  4  o 194.244 4.6955  20456.42   987.864  18840.01   2096.77  20917.57   1119.95  185.702 10.467  196.392 5.2651  -10.69014      11.71696  
1 1 1 9   42  5  o 419.089 6.6541  95346.08   3020.42  102166.60  6051.93  93083.65   3485.56  432.377 12.923  413.905 7.7750  18.47171       15.08156  
1 1 1 9   42  6  o 172.062 3.3509  16043.38   624.481  16272.89   1266.76  15969.70   717.759  173.115 6.7560  171.648 3.8607  1.466782       7.781287  
1 1 1 9   42  7  o 331.917 5.6856  59780.52   2043.97  60256.39   4098.37  59622.96   2358.18  332.245 11.389  331.369 6.5705  0.8760071      13.14831  
1 1 1 9   42  8  o 244.896 4.4017  32520.29   1167.55  34845.94   2352.21  31759.98   1344.93  253.052 8.5821  241.961 5.1320  11.09106       9.999506  
1 1 1 9   42  9  o 119.188 2.9010  7697.67    374.493  7935.31    782.811  7627.14    426.459  120.899 5.9781  118.630 3.3190  2.269279       6.837661  
1 1 1 9   42  10 o 312.267 5.4610  52923.44   1847.01  55197.90   3706.33  52171.98   2130.39  317.900 10.764  309.923 6.3465  7.977295       12.49588  
1 1 1 9   42  11 o 85.179  2.6892  3931.46    248.097  4133.52    541.008  3877.65    279.183  87.062  5.7700  84.587  3.0473  2.474243       6.525241  
1 1 1 9   42  12 o 164.384 3.3902  14648.45   603.602  15835.22   1227.63  14270.08   693.177  170.674 6.6409  162.219 3.9452  8.454834       7.724440  
1 1 1 9   42  13 o 170.125 3.6249  15693.91   667.932  16077.15   1295.88  15555.27   779.444  171.894 6.9604  169.331 4.2499  2.563080       8.155272  
1 1 1 9   42  14 o 172.452 3.5480  16127.64   662.708  15973.46   1341.13  16177.45   762.275  171.259 7.2301  172.681 4.0757  -1.421967      8.299743  
1 1 1 9   42  15 o 48.391  3.0793  1274.84    160.557  1789.74    379.410  1162.51    177.205  57.009  6.2470  46.156  3.5725  10.85249       7.196336  
1 1 1 9   42  16 o 144.410 3.3073  11313.15   517.301  11468.86   1019.58  11259.18   600.305  145.043 6.4902  144.021 3.8484  1.022324       7.545351  
1 1 1 9   42  17 o 129.288 3.5726  9075.84    500.277  9580.92    847.616  8805.84    619.734  132.539 5.9045  127.254 4.4964  5.285042       7.421668  
1 1 1 9   42  18 o 93.194  3.3309  4717.23    336.221  4504.55    590.983  4819.01    408.833  90.568  6.0596  94.132  4.0099  -3.564957      7.266252  
1 1 1 9   42  19 o 54.342  3.6157  1613.41    211.600  1511.92    500.125  1635.54    233.531  51.341  9.3378  54.665  3.9714  -3.324245      10.14724  
1 1 1 9   42  20 o 58.697  3.6073  1883.22    228.221  1483.94    503.568  1986.43    256.023  50.622  9.5341  60.236  3.9460  -9.614311      10.31845  
1 1 1 9   42  21 o 108.343 3.0892  6387.83    362.505  6851.42    748.831  6245.93    414.285  111.214 6.2419  107.046 3.5732  4.168083       7.192283  
1 1 1 9   42  22 o 138.665 3.3580  10486.52   504.331  11537.55   999.074  10127.11   584.232  144.123 6.4002  136.080 3.9639  8.042603       7.528292  
1 1 1 9   42  23 o 36.105  5.4479  736.305    206.413  384.210    438.463  836.553    233.960  28.288  10.598  38.434  5.8009  -10.14605      12.08140  
1 1 1 9   42  24 o 27.207  6.9903  433.751    207.095  257.563    430.883  486.678    236.160  25.833  10.277  28.739  7.5053  -2.905552      12.72606  
1 1 1 9   42  25 o 46.106  5.1262  1196.75    251.652  1184.35    470.246  1201.72    297.899  43.682  10.135  45.828  6.1574  -2.146107      11.85897  
1 1 1 9   42  26 o 46.564  4.9445  1222.31    245.550  1518.07    479.020  1116.89    285.981  49.784  9.2233  44.013  6.1686  5.771366       11.09599  
1 1 1 9   42  27 o 40.442  5.7110  946.542    243.199  1021.43    470.543  919.245    284.086  39.236  10.753  39.276  6.9315  -0.3966522E-01 12.79345  
1 1 1 9   42  28 o 75.135  3.8058  3164.37    308.701  2717.00    594.589  3329.45    361.196  65.287  8.6193  76.667  4.3679  -11.37998      9.662851  
1 1 1 9   42  29 o 24.119  9.2441  355.294    338.130  0.0000     0.0000   355.294    338.130  ?       ?       24.119  9.2441  0.000000       9.244076  
1 1 1 9   42  30 o 23.942  9.8659  341.168    413.275  0.0000     0.0000   341.168    413.275  ?       ?       23.942  9.8659  0.000000       9.865926  
1 1 1 9   42  31 o 30.224  10.886  773.776    455.272  0.0000     0.0000   773.776    455.272  ?       ?       30.224  10.886  0.000000       10.88644  
1 1 1 9   42  32 f 27.777  10.984  679.721    489.404  0.0000     0.0000   679.721    489.404  ?       ?       27.777  10.984  0.000000       10.98378  
1 1 1 9   43  0  o 153.908 3.2712  12834.77   545.299  12549.36   771.955  13119.03   770.387  152.146 4.6845  155.565 4.5722  -3.418884      6.545961  
1 1 1 9   43  1  o 206.575 3.9708  23127.65   888.443  23037.49   1256.68  23217.73   1256.22  206.092 5.6298  206.898 5.6058  -0.8059845     7.944814  
1 1 1 9   43  2  o 525.764 9.0497  150314.70  5153.40  145470.70  7287.93  155158.91  7288.09  516.089 13.038  533.139 12.621  -17.05023      18.14621  
1 1 1 9   43  3  o 188.128 4.7036  19188.58   958.422  18326.59   2025.27  19437.32   1087.96  183.181 10.249  189.314 5.3059  -6.132889      11.54091  
1 1 1 9   43  4  o 178.838 4.2281  17337.29   818.994  16853.80   1429.18  17573.69   999.359  176.145 7.4911  180.013 5.1256  -3.867355      9.076834  
1 1 1 9   43  5  o 217.635 3.7934  25671.67   894.178  30226.80   1805.87  24192.11   1029.20  235.916 7.0674  211.235 4.4985  24.68086       8.377595  
1 1 1 9   43  6  o 484.226 8.1568  127487.20  4277.97  121976.30  8563.82  129319.70  4938.26  470.622 16.801  487.389 9.3547  -16.76657      19.22942  
1 1 1 9   43  7  o 306.170 5.4877  50862.14   1819.80  47184.18   3649.31  52079.45   2099.46  293.953 11.462  309.724 6.2584  -15.77118      13.05935  
1 1 1 9   43  8  o 387.366 6.5929  81497.39   2766.11  82661.63   5543.59  81111.43   3191.85  388.442 13.176  386.258 7.6295  2.183929       15.22579  
1 1 1 9   43  9  o 205.415 3.8640  22875.05   859.686  24201.57   1738.61  22445.76   989.059  210.967 7.6088  203.441 4.4886  7.526077       8.834149  
1 1 1 9   43  10 o 69.690  2.6960  2631.61    203.500  2952.39    463.414  2554.97    226.509  73.508  5.8695  68.663  3.0457  4.844894       6.612706  
1 1 1 9   43  11 o 165.904 3.3464  14919.23   601.312  16702.29   1226.01  14354.44   690.004  175.322 6.4563  162.706 3.9154  12.61597       7.550813  
1 1 1 9   43  12 o 116.965 2.9043  7414.53    367.931  7830.73    767.511  7290.34    419.244  120.062 5.9022  115.968 3.3378  4.093849       6.780581  
1 1 1 9   43  13 o 128.657 3.0381  8972.42    423.357  8965.32    868.641  8974.63    484.840  128.415 6.2453  128.654 3.4794  -0.2394714     7.149128  
1 1 1 9   43  14 o 167.359 3.4495  15189.02   625.274  15969.25   1268.33  14938.50   718.677  171.264 6.8375  165.935 3.9988  5.329132       7.920938  
1 1 1 9   43  15 o 240.261 4.3836  31342.69   1140.72  31950.39   2291.69  31142.52   1315.24  241.641 8.7562  239.387 5.0726  2.254364       10.11940  
1 1 1 9   43  16 o 80.660  2.8296  3528.09    247.204  3684.20    517.292  3481.89    281.417  82.037  5.8603  80.113  3.2432  1.924713       6.697908  
1 1 1 9   43  17 o 75.480  3.4728  3093.53    283.916  3003.00    485.216  3140.66    350.109  73.917  6.1156  75.882  4.2773  -1.965523      7.462950  
1 1 1 9   43  18 o 62.310  3.4978  2116.46    235.105  2064.50    421.118  2139.99    283.379  61.053  6.4668  62.566  4.2062  -1.512611      7.714337  
1 1 1 9   43  19 o 150.990 3.4672  12400.57   567.015  12738.93   1130.68  12286.89   655.381  152.068 6.8649  150.181 4.0291  1.886383       7.959918  
1 1 1 9   43  20 o 20.056  6.5924  213.363    165.686  474.045    426.540  167.041    179.805  30.234  10.571  18.940  6.8387  11.29380       12.59022  
1 1 1 9   43  21 o 136.879 3.2458  10203.25   481.210  10344.30   986.787  10159.24   551.191  136.602 6.6695  136.462 3.7292  0.1401367      7.641333  
1 1 1 9   43  22 o 46.784  4.2089  1208.15    210.987  1527.64    476.336  1130.16    235.332  51.185  8.9162  45.083  4.8983  6.102173       10.17307  
1 1 1 9   43  23 o 46.762  4.2795  1210.21    214.346  1604.62    464.961  1103.78    241.543  52.472  8.4697  44.434  5.1121  8.037846       9.892872  
1 1 1 9   43  24 o 21.945  1.8814  263.550    44.286   293.138    425.630  263.226    44.527   26.268  10.288  21.930  1.8932  4.338394       10.46067  
1 1 1 9   43  25 o 56.284  2.3948  1726.47    145.993  1309.65    494.178  1766.33    152.814  45.874  10.209  56.917  2.4788  -11.04338      10.50562  
1 1 1 9   43  26 o 33.449  1.3373  607.305    48.449   -139.4057  438.630  616.528    48.748   20.435  9.2457  33.702  1.3354  -13.26773      9.341680  
1 1 1 9   43  27 o 40.615  2.1988  903.109    96.367   921.471    471.106  902.308    98.448   37.006  10.970  40.587  2.2483  -3.581055      11.19762  
1 1 1 9   43  28 o 23.016  7.8463  323.015    234.426  677.882    455.151  194.886    273.492  30.951  10.913  20.538  8.1824  10.41324       13.63967  
1 1 1 9   43  29 o 26.100  9.4463  455.209    343.352  0.0000     0.0000   455.209    343.352  ?       ?       26.100  9.4463  0.000000       9.446254  
1 1 1 9   43  30 o 40.565  10.038  1220.42    438.617  0.0000     0.0000   1220.42    438.617  ?       ?       40.565  10.038  0.000000       10.03762  
1 1 1 9   43  31 o 25.043  10.112  460.220    423.677  0.0000     0.0000   460.220    423.677  ?       ?       25.043  10.112  0.000000       10.11199  
1 1 1 9   43  32 o 21.612  9.6881  193.344    469.061  0.0000     0.0000   193.344    469.061  ?       ?       21.612  9.6881  0.000000       9.688088  
1 1 1 9   44  0  o 269.762 4.7834  39454.94   1397.62  40275.47   1977.19  38635.52   1975.86  272.402 6.7014  266.786 6.8379  5.615875       9.574255  
1 1 1 9   44  1  o 36.819  2.8710  738.927    113.589  632.920    161.996  841.453    159.314  33.869  4.5295  39.220  3.7979  -5.351337      5.911058  
1 1 1 9   44  2  o 298.771 5.6085  48420.49   1814.90  46869.31   2785.50  49564.76   2392.42  293.601 8.7594  302.108 7.3115  -8.507019      11.40986  
1 1 1 9   44  3  o 207.608 4.7606  23370.04   1070.48  22420.37   1863.04  23838.12   1307.95  203.077 8.4702  209.617 5.7609  -6.540283      10.24365  
1 1 1 9   44  4  o 100.832 3.3746  5509.61    368.542  4725.68    633.153  5911.31    453.235  93.096  6.3166  104.430 4.0071  -11.33410      7.480420  
1 1 1 9   44  5  o 81.498  2.6345  3598.38    232.546  3052.68    502.861  3746.83    262.276  74.731  6.2706  83.158  2.9120  -8.426735      6.913756  
1 1 1 9   44  6  o 114.024 2.8193  7044.41    348.179  7198.03    723.601  6998.13    397.181  115.021 5.8273  113.640 3.2269  1.381264       6.661145  
1 1 1 9   44  7  o 252.429 4.6510  34556.36   1271.60  41187.43   3357.03  33445.56   1373.98  274.645 11.285  248.303 5.1089  26.34283       12.38787  
1 1 1 9   44  8  o 446.399 7.3323  108313.30  3545.13  114220.00  7101.54  106352.70  4091.40  456.038 14.377  442.050 8.5454  13.98730       16.72526  
1 1 1 9   44  9  o 325.348 5.5433  57451.70   1953.38  60006.55   3919.89  56607.65   2253.06  331.444 10.919  322.823 6.4437  8.620880       12.67880  
1 1 1 9   44  10 o 89.189  2.7547  4310.36    266.101  3931.58    574.328  4413.90    300.276  84.844  6.2947  90.247  3.0720  -5.403076      7.004303  
1 1 1 9   44  11 o 104.578 2.8639  5926.77    324.390  5775.36    686.711  5970.26    368.042  102.920 6.1891  104.951 3.2377  -2.030968      6.984838  
1 1 1 9   44  12 o 304.962 5.4875  50506.46   1812.55  47861.54   3636.00  51381.08   2090.87  295.517 11.360  307.459 6.2787  -11.94186      12.97951  
1 1 1 9   44  13 o 447.232 7.6861  108976.00  3723.14  99639.93   7452.88  112080.70  4297.84  423.236 16.258  453.151 8.7566  -29.91455      18.46636  
1 1 1 9   44  14 o 71.639  2.7785  2781.88    215.589  2856.75    477.678  2762.73    241.594  72.205  6.1672  71.383  3.1248  0.8218689      6.913629  
1 1 1 9   44  15 o 99.099  2.7565  5324.14    295.870  5434.71    640.885  5294.19    333.541  99.747  5.9594  98.804  3.1168  0.9422760      6.725217  
1 1 1 9   44  16 o 115.748 2.9290  7266.78    367.196  7224.54    751.643  7280.02    420.831  114.964 6.0578  115.826 3.3545  -0.8619385     6.924585  
1 1 1 9   44  17 o 115.830 3.4770  7286.28    436.207  7014.80    759.015  7420.17    533.025  113.135 6.2180  116.812 4.2130  -3.676964      7.510871  
1 1 1 9   44  18 o 101.233 3.2191  5567.26    352.960  5376.42    641.424  5650.14    422.716  98.921  6.0152  101.917 3.8294  -2.995972      7.130725  
1 1 1 9   44  19 o 50.873  3.8190  1417.20    208.891  1710.79    492.901  1352.93    230.626  54.836  8.5803  49.619  4.3349  5.217285       9.613117  
1 1 1 9   44  20 o 129.158 3.1929  9076.65    446.654  9012.14    926.791  9096.17    509.759  127.503 6.7350  129.205 3.6426  -1.702507      7.656940  
1 1 1 9   44  21 o 110.684 3.0888  6669.42    370.296  7528.54    775.620  6415.79    421.425  116.538 6.1668  108.460 3.5874  8.078140       7.134315  
1 1 1 9   44  22 o 155.607 3.5176  13219.65   592.845  14577.63   1173.98  12754.80   686.858  161.696 6.7033  152.603 4.1556  9.092270       7.886924  
1 1 1 9   44  23 o 32.802  5.5880  612.391    191.416  680.026    434.836  596.135    213.182  33.841  10.641  32.154  6.3466  1.686779       12.38966  
1 1 1 9   44  24 o 44.484  4.5060  1102.83    214.108  1269.85    463.547  1057.54    241.401  45.721  9.6631  43.334  5.2505  2.387409       10.99741  
1 1 1 9   44  25 o 26.233  7.1861  407.575    210.204  1320.15    440.558  138.588    239.186  46.630  9.0494  19.417  7.6784  27.21346       11.86798  
1 1 1 9   44  26 o 26.188  7.4845  410.368    222.909  506.209    445.789  378.415    257.399  29.590  10.755  25.398  8.2090  4.192326       13.53003  
1 1 1 9   44  27 o 19.004  7.4441  153.346    222.872  -724.3598  441.508  453.484    258.181  15.661  7.6758  27.055  8.1438  -11.39409      11.19100  
1 1 1 9   44  28 o 51.091  4.8320  1506.28    264.211  1107.15    507.842  1654.41    309.378  38.460  11.387  53.127  5.4539  -14.66739      12.62542  
1 1 1 9   44  29 o 33.500  9.4014  790.572    355.042  0.0000     0.0000   790.572    355.042  ?       ?       33.500  9.4014  0.000000       9.401422  
1 1 1 9   44  30 o 33.159  10.077  839.461    393.955  0.0000     0.0000   839.461    393.955  ?       ?       33.159  10.077  0.000000       10.07741  
1 1 1 9   44  31 o 35.554  10.063  998.171    404.959  0.0000     0.0000   998.171    404.959  ?       ?       35.554  10.063  0.000000       10.06266  
1 1 1 9   45  0  o 417.478 7.1557  94640.30   3235.59  93543.98   4576.06  95736.40   4575.57  414.480 10.193  419.336 10.074  -4.855499      14.33162  
1 1 1 9   45  1  o 347.970 6.4060  65716.66   2414.35  68284.20   3721.96  63851.44   3172.33  354.202 9.7018  342.704 8.5465  11.49753       12.92931  
1 1 1 9   45  2  o 197.117 3.7647  21058.30   803.765  21184.15   1136.46  20932.35   1136.93  197.629 5.3093  196.449 5.3433  1.179977       7.532572  
1 1 1 9   45  3  o 235.828 4.3452  30150.46   1109.87  29066.25   1569.51  31234.90   1569.68  231.416 6.2618  239.912 6.0407  -8.496170      8.700625  
1 1 1 9   45  4  o 154.658 3.9164  12964.98   656.044  13185.82   1149.42  12858.27   798.968  155.828 6.8102  153.986 4.7905  1.842484       8.326331  
1 1 1 9   45  5  o 268.637 4.8088  39136.32   1399.16  38723.48   2810.60  39272.34   1613.27  266.640 9.7320  269.042 5.5363  -2.402466      11.19655  
1 1 1 9   45  6  o 396.452 6.4279  85341.90   2760.14  92765.66   5531.76  82880.96   3184.94  411.867 12.400  390.503 7.5302  21.36432       14.50771  
1 1 1 9   45  7  o 111.670 2.7428  6756.60    331.744  7130.33    691.838  6645.00    378.040  114.627 5.5725  110.735 3.1520  3.892044       6.402145  
1 1 1 9   45  8  o 226.411 4.2652  27796.47   1045.93  26785.96   2106.96  28126.92   1204.87  221.803 8.7704  227.708 4.8853  -5.905197      10.03923  
1 1 1 9   45  9  o 199.849 4.5835  21662.95   992.134  21213.13   1733.66  21882.02   1209.83  197.436 8.1071  200.783 5.5632  -3.346191      9.832342  
1 1 1 9   45  10 o 142.100 3.2498  10944.36   500.172  9399.29    1030.38  11420.68   572.098  131.269 7.2755  145.144 3.6392  -13.87453      8.134896  
1 1 1 9   45  11 o 222.646 4.2200  26886.90   1017.65  25981.75   2051.28  27182.40   1172.05  218.324 8.6747  223.812 4.8349  -5.488159      9.931096  
1 1 1 9   45  12 o 237.456 4.7025  30600.85   1209.44  29648.69   3169.65  30763.11   1308.44  231.859 12.670  238.043 5.0749  -6.183609      13.64826  
1 1 1 9   45  13 o 205.910 3.9437  22999.53   879.537  23731.02   1773.83  22761.06   1012.81  208.646 7.8493  204.782 4.5663  3.863739       9.080939  
1 1 1 9   45  14 o 188.749 3.7111  19327.03   758.682  19853.44   1531.93  19155.96   873.299  190.808 7.4126  187.857 4.2921  2.951263       8.565555  
1 1 1 9   45  15 f 187.737 3.7520  19128.31   762.929  18823.13   1541.09  19227.39   878.080  185.599 7.6662  188.158 4.3087  -2.559021      8.794083  
1 1 1 9   45  16 o 153.901 3.2896  12854.03   548.353  14503.73   1113.27  12325.58   630.088  163.021 6.3050  150.645 3.8617  12.37642       7.393663  
1 1 1 9   45  17 o 22.781  6.5707  290.238    171.077  313.419    304.623  279.558    206.762  25.346  8.9286  22.859  7.3541  2.487234       11.56734  
1 1 1 9   45  18 o 96.710  3.4549  5084.44    361.888  5782.85    689.494  4818.89    425.157  102.514 6.2395  94.068  4.1729  8.445930       7.506282  
1 1 1 9   45  19 o 33.017  4.9567  608.986    171.781  702.239    448.098  592.921    185.990  35.073  10.765  32.463  5.4852  2.609890       12.08189  
1 1 1 9   45  20 o 35.238  5.0071  693.519    185.727  488.457    457.888  733.901    203.192  30.843  10.938  36.195  5.3438  -5.351568      12.17349  
1 1 1 9   45  21 o 95.237  3.1473  4939.86    324.646  5524.43    676.730  4765.12    370.001  99.685  6.3002  93.445  3.6558  6.240227       7.284029  
1 1 1 9   45  22 o 43.761  4.3181  1059.94    202.000  1400.61    471.164  983.218    223.591  48.773  9.2577  41.970  5.0181  6.803089       10.53025  
1 1 1 9   45  23 o 44.784  1.6304  1088.47    79.085   460.709    451.305  1108.36    80.328   29.680  10.816  45.190  1.6412  -15.51023      10.94019  
1 1 1 9   45  24 f 51.306  2.1332  1431.89    118.544  1044.25    483.563  1456.67    122.275  40.904  10.767  51.743  2.1818  -10.83903      10.98632  
1 1 1 9   45  25 o 29.467  2.1576  475.260    68.384   1029.68    451.534  462.245    69.182   40.450  10.284  29.050  2.2155  11.39999       10.51962  
1 1 1 9   45  26 o 42.285  2.1284  976.793    97.168   389.042    472.172  1002.78    99.293   27.784  10.848  42.896  2.1371  -15.11200      11.05700  
1 1 1 9   45  27 o 60.516  2.7050  2010.66    177.298  2102.62    616.391  2002.36    185.122  56.290  10.496  60.352  2.8320  -4.061821      10.87157  
1 1 1 9   45  28 o 36.058  7.5629  826.885    285.938  0.0000     0.0000   826.885    285.938  ?       ?       36.058  7.5629  0.000000       7.562868  
1 1 1 9   45  29 o 20.848  8.7175  182.920    329.390  0.0000     0.0000   182.920    329.390  ?       ?       20.848  8.7175  0.000000       8.717542  
1 1 1 9   45  30 o 41.784  9.7067  1278.04    430.896  0.0000     0.0000   1278.04    430.896  ?       ?       41.784  9.7067  0.000000       9.706655  
1 1 1 9   45  31 o 26.015  10.231  527.615    422.420  0.0000     0.0000   527.615    422.420  ?       ?       26.015  10.231  0.000000       10.23064  
1 1 1 9   46  0  o 232.338 4.6211  29267.93   1162.88  30659.43   1768.91  28208.84   1543.22  237.627 6.8729  227.984 6.2496  9.643097       9.289462  
1 1 1 9   46  1  o 166.875 3.6433  15091.96   658.495  14114.41   931.572  16068.18   930.935  161.312 5.3319  172.132 4.9933  -10.81976      7.304930  
1 1 1 9   46  2  o 243.187 4.4451  32063.36   1170.83  33271.26   1656.07  30856.24   1655.53  247.596 6.1754  238.421 6.4110  9.175293       8.901467  
1 1 1 9   46  3  o 100.844 2.6168  5509.54    285.822  5272.94    403.923  5746.83    404.505  98.634  3.7810  102.974 3.6268  -4.340317      5.239230  
1 1 1 9   46  4  o 329.032 5.6182  58740.82   2002.18  58831.08   2832.55  58650.69   2830.48  328.973 7.9496  328.467 7.9560  0.5057373      11.24701  
1 1 1 9   46  5  o 442.857 8.5842  106701.60  4117.52  103359.00  7138.23  108368.40  5040.62  433.741 15.195  445.812 10.439  -12.07074      18.43505  
1 1 1 9   46  6  o 240.101 4.6578  31263.72   1211.28  31136.64   3181.46  31285.27   1309.93  238.285 12.370  240.155 5.0360  -1.869949      13.35546  
1 1 1 9   46  7  o 179.281 3.5171  17421.09   682.942  18547.30   1384.21  17058.73   785.159  184.763 6.9170  177.381 4.0868  7.382080       8.034082  
1 1 1 9   46  8  o 82.631  2.7662  3699.72    247.574  3475.15    541.675  3759.02    278.349  79.744  6.3234  83.285  3.0857  -3.541664      7.036066  
1 1 1 9   46  9  o 225.081 4.4764  27477.26   1091.28  27317.83   2069.59  27538.66   1284.34  223.982 8.5310  225.267 5.2640  -1.285278      10.02436  
1 1 1 9   46  10 o 124.614 2.9126  8415.46    393.115  9145.48    822.715  8199.47    447.507  129.771 5.8533  122.991 3.3594  6.779762       6.748836  
1 1 1 9   46  11 o 163.981 3.3259  14576.73   590.711  16682.68   1205.49  13911.27   677.644  175.196 6.3529  160.164 3.9063  15.03229       7.457749  
1 1 1 9   46  12 o 134.860 3.1042  9858.76    453.425  9352.52    935.968  10014.00   518.306  130.965 6.6198  135.899 3.5213  -4.933990      7.498082  
1 1 1 9   46  13 o 185.516 3.6645  18666.62   736.314  20246.57   1489.79  18155.92   846.995  192.797 7.1344  182.910 4.2754  9.886978       8.317321  
1 1 1 9   46  14 o 121.074 3.0413  7948.39    398.825  6685.83    819.268  8340.53    456.578  110.552 6.8761  124.006 3.3994  -13.45327      7.670552  
1 1 1 9   46  15 o 195.007 3.7901  20642.69   800.520  21112.18   1614.20  20489.56   921.869  196.518 7.5838  194.205 4.3827  2.312210       8.759076  
1 1 1 9   46  16 o 143.074 3.1846  11109.27   493.495  11920.78   1002.56  10849.77   566.935  147.757 6.2646  141.340 3.7034  6.416763       7.277378  
1 1 1 9   46  17 o 57.013  3.6936  1774.05    226.859  1524.68    402.236  1890.37    274.721  52.202  7.3150  58.775  4.3463  -6.572357      8.508763  
1 1 1 9   46  18 o 97.586  3.4377  5178.09    363.352  5487.25    699.116  5063.67    425.306  99.735  6.5076  96.423  4.0724  3.311752       7.676795  
1 1 1 9   46  19 o 63.913  3.2998  2228.10    227.647  2631.02    525.093  2134.84    252.622  68.616  7.1714  62.492  3.7497  6.124851       8.092518  
1 1 1 9   46  20 o 125.134 3.1210  8520.59    422.999  8172.85    883.626  8623.97    481.790  121.318 6.7514  125.806 3.5358  -4.487976      7.621273  
1 1 1 9   46  21 o 37.698  4.9590  793.756    197.568  1168.21    461.466  709.716    218.617  44.387  9.8555  35.385  5.9128  9.001881       11.49319  
1 1 1 9   46  22 o 22.249  6.9962  275.627    187.975  -140.6756  430.762  373.547    208.915  20.761  9.2969  25.456  7.2356  -4.694944      11.78077  
1 1 1 9   46  23 o 66.587  3.4413  2431.28    247.343  2305.65    542.099  2464.31    277.963  63.097  8.1208  66.935  3.8503  -3.838234      8.987370  
1 1 1 9   46  24 o 100.132 3.1940  5485.34    346.399  6208.89    712.323  5261.24    396.430  104.842 6.3022  97.882  3.7393  6.959846       7.328081  
1 1 1 9   46  25 o 38.475  5.9078  851.319    238.320  461.695    459.849  994.398    278.663  29.173  10.868  41.441  6.4156  -12.26866      12.62036  
1 1 1 9   46  26 o 33.158  6.6648  652.514    231.053  1190.73    458.029  468.804    267.596  43.184  9.9911  27.741  8.2775  15.44220       12.97458  
1 1 1 9   46  27 o 17.215  7.2943  54.935     235.529  -34.8823   443.586  90.198     277.945  20.959  9.4066  18.947  7.9703  2.012403       12.32923  
1 1 1 9   46  28 o 24.507  8.4015  381.716    268.795  0.0000     0.0000   381.716    268.795  ?       ?       24.507  8.4015  0.000000       8.401531  
1 1 1 9   46  29 o 30.359  10.071  676.849    386.318  0.0000     0.0000   676.849    386.318  ?       ?       30.359  10.071  0.000000       10.07067  
1 1 1 9   46  30 o 21.324  9.2253  189.266    391.423  0.0000     0.0000   189.266    391.423  ?       ?       21.324  9.2253  0.000000       9.225324  
1 1 1 9   46  31 f 42.135  10.714  1429.29    490.040  0.0000     0.0000   1429.29    490.040  ?       ?       42.135  10.714  0.000000       10.71376  
1 1 1 9   47  0  o 351.776 5.9946  67152.59   2284.00  69363.78   3230.95  64943.82   3229.19  357.178 8.3517  345.565 8.6277  11.61322       12.00784  
1 1 1 9   47  1  o 598.637 9.7730  195141.50  6336.68  201598.20  8962.17  188687.09  8960.66  606.891 13.634  586.921 14.096  19.96936       19.61085  
1 1 1 9   47  2  o 75.697  2.5619  3104.28    210.043  2600.67    275.039  3808.97    325.349  69.173  3.6843  83.834  3.5831  -14.66130      5.139339  
1 1 1 9   47  3  o 222.222 4.2109  26771.71   1013.53  26359.62   1433.33  27183.82   1433.37  220.383 6.0048  223.810 5.9130  -3.426285      8.427388  
1 1 1 9   47  4  o 338.374 5.5455  62124.72   2032.40  62628.54   2875.17  61621.55   2873.33  339.424 7.8208  336.674 7.8796  2.749451       11.10195  
1 1 1 9   47  5  o 128.237 3.2825  8911.88    455.915  9647.61    808.089  8568.34    552.192  133.338 5.5955  125.718 4.0553  7.619537       6.910453  
1 1 1 9   47  6  o 453.483 7.5218  111788.30  3694.48  118641.30  7399.66  109512.70  4263.97  464.720 14.701  448.539 8.7770  16.18137       17.12185  
1 1 1 9   47  7  o 245.892 4.7514  32795.51   1265.42  31283.70   3338.26  33049.20   1367.48  238.609 12.966  246.811 5.1155  -8.201263      13.93836  
1 1 1 9   47  8  o 244.967 4.3358  32542.81   1150.40  37190.71   2316.07  31020.55   1325.46  261.417 8.1799  239.105 5.1181  22.31238       9.649141  
1 1 1 9   47  9  o 310.776 5.4506  52425.20   1834.67  51430.31   3682.71  52753.63   2115.94  306.702 11.086  311.631 6.2689  -4.929657      12.73588  
1 1 1 9   47  10 o 464.294 7.9191  117363.80  3982.34  107432.80  7973.13  120664.90  4596.79  440.200 16.723  470.407 9.0222  -30.20731      19.00134  
1 1 1 9   47  11 o 313.391 5.8613  53359.92   1989.54  46833.17   5443.63  54366.14   2137.41  289.476 17.444  316.264 6.2397  -26.78775      18.52615  
1 1 1 9   47  12 o 284.573 5.1433  43975.16   1585.27  43185.09   3183.15  44235.74   1828.11  280.811 10.466  285.290 5.9162  -4.479034      12.02229  
1 1 1 9   47  13 o 127.024 2.9897  8747.35    411.329  8786.13    848.165  8735.42    470.341  127.084 6.1620  126.916 3.4216  0.1680450      7.048179  
1 1 1 9   47  14 o 82.489  2.5596  3688.36    228.684  3791.28    539.368  3665.81    252.502  83.241  6.0231  82.227  2.8352  1.013939       6.657028  
1 1 1 9   47  15 o 169.180 3.6603  15536.92   670.703  14631.24   1297.95  15866.86   783.401  163.594 7.3252  170.898 4.2323  -7.304031      8.459954  
1 1 1 9   47  16 o 158.704 3.3786  13675.15   580.751  12901.71   1179.17  13922.84   667.294  153.480 7.0934  160.073 3.8488  -6.593521      8.070312  
1 1 1 9   47  17 o 171.825 4.3343  16075.12   806.622  15477.93   1317.53  16433.16   1020.16  167.793 7.2496  173.462 5.4299  -5.668869      9.057649  
1 1 1 9   47  18 o 67.023  3.7301  2452.43    269.704  2478.25    527.958  2443.31    313.728  66.591  7.4476  66.799  4.3601  -0.2082520     8.630032  
1 1 1 9   47  19 o 55.384  3.5344  1676.89    210.913  1317.47    499.957  1754.71    232.626  47.472  10.037  56.616  3.8158  -9.144157      10.73818  
1 1 1 9   47  20 o 72.195  2.5834  2832.32    202.010  3494.86    564.870  2735.16    216.316  79.178  6.6483  70.923  2.8160  8.255402       7.220082  
1 1 1 9   47  21 o 30.764  6.0944  541.608    195.890  310.783    449.587  595.697    217.635  27.406  10.618  32.214  6.4624  -4.807512      12.42979  
1 1 1 9   47  22 o 48.255  4.1961  1286.26    217.126  1045.73    487.656  1345.73    242.488  41.484  10.762  49.272  4.5969  -7.788033      11.70221  
1 1 1 9   47  23 o 21.940  1.2360  261.859    29.252   165.865    430.950  262.303    29.319   24.465  10.077  21.959  1.2378  2.506031       10.15293  
1 1 1 9   47  24 o 61.454  3.9593  2086.66    262.133  2326.18    533.112  2010.29    301.039  63.089  7.9802  60.084  4.6624  3.005024       9.242388  
1 1 1 9   47  25 o 64.126  4.0561  2279.18    280.266  2270.93    538.041  2282.25    328.327  61.893  8.2302  63.887  4.7795  -1.994160      9.517308  
1 1 1 9   47  26 o 56.628  4.3348  1795.38    263.851  1359.00    515.817  1950.03    307.064  45.636  10.633  58.785  4.8665  -13.14874      11.69359  
1 1 1 9   47  27 o 19.314  1.7417  204.933    36.041   262.896    443.256  204.547    36.161   24.473  10.163  19.294  1.7494  5.178532       10.31201  
1 1 1 9   47  28 o 23.934  9.0422  344.511    320.621  0.0000     0.0000   344.511    320.621  ?       ?       23.934  9.0422  0.000000       9.042223  
1 1 1 9   47  29 o 37.994  8.8036  989.477    355.191  0.0000     0.0000   989.477    355.191  ?       ?       37.994  8.8036  0.000000       8.803605  
1 1 1 9   47  30 o 27.143  10.159  560.648    402.774  0.0000     0.0000   560.648    402.774  ?       ?       27.143  10.159  0.000000       10.15947  
1 1 1 9   47  31 o 21.844  9.4506  242.399    410.805  0.0000     0.0000   242.399    410.805  ?       ?       21.844  9.4506  0.000000       9.450635  
1 1 1 9   48  0  o 241.569 4.4883  31639.95   1174.35  32037.27   1661.48  31243.31   1660.08  242.940 6.3143  239.904 6.3888  3.035889       8.982631  
1 1 1 9   48  1  o 162.585 3.2526  14324.26   572.765  15030.29   810.605  13620.30   809.421  166.495 4.4951  158.484 4.7154  8.011307       6.514648  
1 1 1 9   48  2  o 134.843 3.0383  9852.36    443.739  9692.36    626.578  10013.34   628.510  133.705 4.3267  135.903 4.2699  -2.197937      6.078820  
1 1 1 9   48  3  o 102.146 2.7464  5653.12    303.852  5239.15    420.690  6104.61    439.341  98.311  3.9509  106.124 3.8222  -7.813087      5.497166  
1 1 1 9   48  4  o 157.306 3.2299  13409.75   550.300  13117.15   779.289  13700.79   777.199  155.526 4.6262  158.954 4.5143  -3.427597      6.463797  
1 1 1 9   48  5  o 246.330 4.8469  32911.26   1293.15  36740.01   2251.51  31026.52   1579.69  259.919 7.9977  239.065 6.1008  20.85440       10.05895  
1 1 1 9   48  6  f 188.054 3.7387  19169.87   761.500  21615.13   1877.36  18688.33   833.115  199.267 8.6984  185.656 4.1431  13.61104       9.634729  
1 1 1 9   48  7  o 354.833 6.0253  68362.08   2315.67  68838.30   4642.35  68204.34   2671.79  354.682 12.084  354.270 6.9630  0.4122925      13.94697  
1 1 1 9   48  8  o 195.830 3.8117  20790.87   808.469  20287.05   1632.46  20954.60   930.608  193.108 7.8050  196.566 4.3711  -3.458450      8.945650  
1 1 1 9   48  9  o 84.931  2.7360  3908.74    251.687  3674.23    561.303  3967.76    281.582  81.989  6.3708  85.564  3.0384  -3.574425      7.058231  
1 1 1 9   48  10 o 58.642  2.8500  1863.65    181.017  1171.17    438.075  2006.23    198.781  45.529  9.2001  60.841  3.0165  -15.31176      9.682052  
1 1 1 9   48  11 o 98.645  2.7844  5273.74    297.492  6064.11    639.436  5055.41    336.079  105.510 5.6156  96.570  3.2131  8.940269       6.469899  
1 1 1 9   48  12 o 281.700 5.2863  43106.35   1612.92  46683.06   3025.73  41686.54   1906.36  292.144 9.5623  276.834 6.3579  15.31042       11.48307  
1 1 1 9   48  13 o 19.222  5.2272  207.303    111.702  -314.2149  326.370  276.498    118.882  16.176  7.5520  22.121  5.0703  -5.944725      9.096203  
1 1 1 9   48  14 o 124.029 3.0149  8342.34    405.009  7940.44    833.438  8466.59    463.404  120.543 6.4066  124.924 3.4249  -4.380974      7.264559  
1 1 1 9   48  15 o 122.771 2.9885  8176.67    397.391  8631.08    815.123  8035.00    455.145  125.813 5.9817  121.668 3.4539  4.145012       6.907269  
1 1 1 9   48  16 o 75.764  2.7800  3114.38    228.123  3503.12    492.206  3008.03    257.443  79.913  5.7246  74.437  3.1932  5.476257       6.554952  
1 1 1 9   48  17 o 154.152 3.8955  12928.86   650.395  13713.04   1151.80  12561.76   788.061  158.031 6.7292  151.766 4.7942  6.264832       8.262336  
1 1 1 9   48  18 o 66.916  3.8045  2446.08    274.600  2585.85    508.059  2388.40    326.380  68.134  6.9833  65.989  4.5952  2.145256       8.359529  
1 1 1 9   48  19 o 61.442  2.2057  2048.93    146.784  1654.99    509.654  2084.56    153.279  53.626  9.0999  61.969  2.2837  -8.343136      9.382092  
1 1 1 9   48  20 o 41.548  4.2884  953.790    190.208  658.542    463.843  1013.47    208.549  34.023  11.022  42.786  4.5710  -8.762749      11.93234  
1 1 1 9   48  21 o 89.140  2.7311  4323.47    263.685  4623.05    642.976  4262.90    289.116  90.943  6.5719  88.468  3.0173  2.475266       7.231403  
1 1 1 9   48  22 o 106.409 3.1340  6177.22    361.201  5970.21    755.224  6238.62    411.292  103.016 6.8070  106.825 3.5547  -3.808685      7.679300  
1 1 1 9   48  23 o 73.619  3.3010  2964.07    263.215  3080.53    581.520  2934.06    295.184  73.294  7.4279  73.052  3.7433  0.2418289      8.317823  
1 1 1 9   48  24 o 78.531  3.4930  3383.54    297.109  2973.43    603.916  3514.50    341.265  71.371  7.9474  79.895  3.9437  -8.523956      8.872047  
1 1 1 9   48  25 o 46.002  4.9441  1192.68    242.471  951.780    488.775  1271.31    279.256  38.435  11.112  47.274  5.5602  -8.839180      12.42583  
1 1 1 9   48  26 o 22.118  7.8846  266.997    238.226  727.504    444.949  81.944     282.059  33.335  10.795  19.154  8.0417  14.18057       13.46102  
1 1 1 9   48  27 o 26.163  7.6595  432.333    230.923  21.378     456.917  573.308    267.616  21.560  9.6206  29.857  8.0790  -8.297338      12.56289  
1 1 1 9   48  28 o 60.536  5.9781  2186.55    386.845  0.0000     0.0000   2186.55    386.845  ?       ?       60.536  5.9781  0.000000       5.978058  
1 1 1 9   48  29 o 21.323  8.7645  223.900    325.137  0.0000     0.0000   223.900    325.137  ?       ?       21.323  8.7645  0.000000       8.764542  
1 1 1 9   48  30 o 36.331  10.151  1020.32    414.848  0.0000     0.0000   1020.32    414.848  ?       ?       36.331  10.151  0.000000       10.15058  
1 1 1 9   48  31 o 17.533  8.2170  -131.9896  392.567  0.0000     0.0000   -131.9896  392.567  ?       ?       17.533  8.2170  0.000000       8.216967  
1 1 1 9   49  0  o 271.083 4.8045  39852.38   1410.66  40479.97   1995.98  39226.05   1993.95  273.023 6.7497  268.750 6.8501  4.272980       9.616784  
1 1 1 9   49  1  o 480.024 8.7064  125365.40  4526.58  126331.60  7016.42  124676.60  5924.36  480.319 13.487  477.900 11.445  2.419281       17.68894  
1 1 1 9   49  2  o 91.482  2.6927  4534.28    266.802  4701.16    376.232  4365.46    378.408  93.131  3.7298  89.741  3.8931  3.390175       5.391493  
1 1 1 9   49  3  o 214.932 4.1274  25044.59   960.824  24596.73   1359.11  25492.04   1358.51  212.882 5.8945  216.731 5.7872  -3.848404      8.260580  
1 1 1 9   49  4  f 384.537 6.5917  80305.51   2745.42  79756.77   3883.23  80853.88   3881.98  382.670 9.3691  385.309 9.3020  -2.638580      13.20253  
1 1 1 9   49  5  o 220.683 4.7880  26414.92   1144.44  25653.68   1992.08  26789.94   1398.21  217.122 8.4709  222.163 5.8107  -5.040207      10.27236  
1 1 1 9   49  6  o 355.920 5.8792  68769.57   2266.43  77983.48   4546.27  65722.35   2614.48  377.842 11.109  347.780 6.9408  30.06241       13.09905  
1 1 1 9   49  7  o 55.587  2.7199  1674.23    163.755  1361.17    386.696  1742.64    180.763  49.491  7.4446  56.631  2.9573  -7.140297      8.010427  
1 1 1 9   49  8  o 83.833  2.4239  3807.78    220.093  4125.70    380.684  3648.15    269.746  87.228  4.0294  82.047  3.0355  5.181015       5.044806  
1 1 1 9   49  9  o 71.265  2.7033  2752.07    208.664  2951.92    490.557  2707.92    230.562  73.449  6.2250  70.686  3.0115  2.763489       6.915167  
1 1 1 9   49  10 o 379.099 6.3667  78121.16   2614.18  83741.04   5241.28  76260.14   3016.12  390.473 12.393  374.302 7.4397  16.17160       14.45459  
1 1 1 9   49  11 o 359.414 6.1801  70224.66   2405.79  69286.67   4822.64  70535.41   2775.85  354.900 12.546  359.984 7.1194  -5.084320      14.42536  
1 1 1 9   49  12 o 111.053 2.9024  6685.41    349.107  6219.99    734.589  6821.19    396.778  106.730 6.3839  112.161 3.2661  -5.430656      7.170864  
1 1 1 9   49  13 o 179.944 3.7832  17569.29   737.334  16510.05   1799.33  17783.05   808.318  173.263 9.6261  181.002 4.1231  -7.739227      10.47195  
1 1 1 9   49  14 o 151.951 3.3007  12526.40   543.225  11486.82   1106.42  12856.59   623.555  145.049 7.0427  153.902 3.7408  -8.852737      7.974477  
1 1 1 9   49  15 o 135.321 3.1168  9936.82    456.813  9937.03    933.941  9936.75    523.739  134.887 6.3926  135.278 3.5745  -0.3903809     7.324121  
1 1 1 9   49  16 o 251.808 4.6108  34528.72   1257.53  35275.21   2524.92  34282.47   1450.18  252.427 9.2351  250.672 5.3413  1.755295       10.66846  
1 1 1 9   49  17 o 270.851 5.7044  40154.63   1673.45  40087.50   2910.52  40187.79   2045.34  267.662 10.040  270.246 6.9877  -2.584320      12.23196  
1 1 1 9   49  18 o 126.438 3.6925  8704.78    505.671  8356.17    890.534  8870.67    614.315  122.942 6.7132  127.481 4.4491  -4.539566      8.053637  
1 1 1 9   49  19 o 30.093  5.4956  512.270    172.521  717.963    427.729  472.306    188.537  35.193  10.457  28.736  6.2366  6.457018       12.17556  
1 1 1 9   49  20 o 35.598  4.9674  708.602    186.306  503.064    457.752  749.410    203.964  30.956  10.941  36.550  5.3075  -5.593941      12.16011  
1 1 1 9   49  21 o 121.566 3.1329  8054.48    412.502  7855.99    863.233  8113.22    469.586  118.516 6.7528  121.896 3.5568  -3.380524      7.632222  
1 1 1 9   49  22 o 54.541  2.4356  1618.43    143.878  1300.81    516.274  1645.17    149.813  46.249  10.541  54.982  2.5157  -8.732658      10.83707  
1 1 1 9   49  23 o 20.403  7.5629  193.608    222.143  560.709    444.248  71.213     256.516  31.263  10.796  18.667  7.7395  12.59676       13.28374  
1 1 1 9   49  24 o 58.298  4.1088  1883.53    257.783  1907.17    526.650  1876.09    295.618  56.417  8.9149  57.962  4.7506  -1.545261      10.10168  
1 1 1 9   49  25 o 70.227  3.7504  2726.46    284.236  2762.02    574.595  2714.93    327.053  68.376  7.9044  69.835  4.3454  -1.459518      9.020103  
1 1 1 9   49  26 o 65.260  3.9773  2377.09    279.789  2599.53    557.597  2302.24    323.456  65.421  8.0384  63.841  4.7112  1.580124       9.317234  
1 1 1 9   49  27 o 61.799  4.8771  2195.49    323.795  0.0000     0.0000   2195.49    323.795  ?       ?       61.799  4.8771  0.000000       4.877112  
1 1 1 9   49  28 o 31.027  9.1337  662.960    327.565  0.0000     0.0000   662.960    327.565  ?       ?       31.027  9.1337  0.000000       9.133664  
1 1 1 9   49  29 o 19.250  8.3295  102.444    319.209  0.0000     0.0000   102.444    319.209  ?       ?       19.250  8.3295  0.000000       8.329536  
1 1 1 9   49  30 o 20.222  8.9471  119.135    386.850  0.0000     0.0000   119.135    386.850  ?       ?       20.222  8.9471  0.000000       8.947139  
1 1 1 9   50  0  o 101.683 2.7689  5602.05    304.951  5777.73    434.299  5431.19    428.296  103.242 3.8839  100.096 3.9505  3.145653       5.539967  
1 1 1 9   50  1  o 233.706 4.4048  29614.98   1114.99  29927.43   1577.05  29302.71   1576.62  234.795 6.2013  232.326 6.2655  2.469391       8.815535  
1 1 1 9   50  2  o 32.477  1.4964  571.299    52.639   544.401    55.715   794.911    160.643  31.661  1.6302  38.089  3.9514  -6.428003      4.274530  
1 1 1 9   50  3  o 85.289  2.5679  3941.10    237.220  3933.34    335.345  3948.88    335.615  85.187  3.6345  85.355  3.6303  -0.1681976     5.136993  
1 1 1 9   50  4  o 82.114  2.4988  3653.03    222.235  3824.67    318.293  3489.77    310.429  84.004  3.4983  80.240  3.5719  3.763458       4.999669  
1 1 1 9   50  5  o 276.310 4.7342  41410.22   1416.81  41549.21   2005.04  41271.60   2002.30  276.560 6.6937  275.633 6.7070  0.9271851      9.475696  
1 1 1 9   50  6  o 357.780 6.2553  69516.62   2424.02  66890.45   4858.77  70386.88   2796.97  349.390 12.839  359.853 7.1761  -10.46317      14.70876  
1 1 1 9   50  7  o 142.388 3.1843  10988.05   491.092  9272.33    1003.42  11528.47   563.147  130.407 7.1311  145.833 3.5653  -15.42659      7.972739  
1 1 1 9   50  8  o 220.834 4.1251  26446.60   986.670  26296.90   1988.50  26495.49   1136.44  219.740 8.3550  220.989 4.7479  -1.248718      9.609816  
1 1 1 9   50  9  o 366.258 6.1766  72890.68   2450.22  78902.89   4914.82  70902.20   2826.52  379.319 11.963  361.004 7.2289  18.31488       13.97732  
1 1 1 9   50  10 o 133.394 3.0252  9644.68    437.086  10998.82   912.129  9241.05    497.984  142.276 5.9191  130.553 3.5218  11.72379       6.887540  
1 1 1 9   50  11 o 69.543  2.8843  2621.40    217.254  1747.62    494.617  2830.27    241.831  55.988  8.4169  72.256  3.0901  -16.26775      8.966240  
1 1 1 9   50  12 o 289.099 5.0955  45405.71   1595.54  46656.07   3204.19  44993.46   1839.86  291.689 10.142  287.628 5.9059  4.061523       11.73633  
1 1 1 9   50  13 o 127.152 3.0981  8767.90    426.664  8381.52    869.241  8890.54    489.716  123.858 6.5023  128.012 3.5320  -4.153633      7.399658  
1 1 1 9   50  14 f 216.007 4.0816  25343.66   954.921  25978.60   1924.44  25136.26   1099.88  217.729 8.1605  215.013 4.7229  2.715363       9.428679  
1 1 1 9   50  15 o 90.958  2.8108  4488.35    276.910  4627.82    586.061  4448.26    314.194  91.896  5.9196  90.527  3.2044  1.369453       6.731271  
1 1 1 9   50  16 o 112.135 2.8566  6825.26    346.950  7625.15    717.469  6581.12    396.377  118.138 5.6072  110.066 3.3249  8.071381       6.518870  
1 1 1 9   50  17 o 82.489  3.0650  3697.13    273.845  4175.12    593.862  3568.04    308.615  86.970  6.3483  80.994  3.5180  5.975342       7.257896  
1 1 1 9   50  18 o 68.490  3.7442  2562.73    276.697  2173.12    514.859  2720.96    328.108  62.104  7.8281  70.479  4.3190  -8.374603      8.940513  
1 1 1 9   50  19 o 86.811  3.0346  4099.58    285.326  4271.95    607.887  4050.88    323.133  87.711  6.4439  86.236  3.4596  1.474152       7.313886  
1 1 1 9   50  20 o 76.482  2.6169  3180.49    216.781  3273.37    583.497  3165.62    233.494  76.311  7.1427  76.277  2.8262  0.3375244E-01  7.681507  
1 1 1 9   50  21 o 124.159 3.1165  8402.96    419.103  9532.52    878.348  8069.98    476.891  130.989 6.1910  121.535 3.6228  9.454536       7.173105  
1 1 1 9   50  22 o 87.562  3.3035  4188.69    313.298  3971.79    652.337  4253.71    357.189  83.599  7.2771  88.131  3.7420  -4.532265      8.182795  
1 1 1 9   50  23 o 124.803 3.3387  8524.90    451.301  7562.29    905.036  8843.47    520.651  115.080 7.2987  126.921 3.7874  -11.84097      8.222892  
1 1 1 9   50  24 o 44.316  2.2959  1072.66    109.824  1172.10    492.705  1067.46    112.658  43.105  10.622  44.197  2.3620  -1.091866      10.88134  
1 1 1 9   50  25 o 29.108  1.9790  463.378    62.021   999.736    566.874  456.880    62.395   38.678  12.147  28.899  2.0059  9.778875       12.31177  
1 1 1 9   50  26 o 54.174  2.3561  1605.55    138.248  655.349    516.493  1678.88    143.484  31.572  11.561  55.388  2.3917  -23.81612      11.80611  
1 1 1 9   50  27 o 16.893  7.4298  1.3555     262.953  0.0000     0.0000   1.3555     262.953  ?       ?       16.893  7.4298  0.000000       7.429781  
1 1 1 9   50  28 o 24.362  9.1708  370.800    329.114  0.0000     0.0000   370.800    329.114  ?       ?       24.362  9.1708  0.000000       9.170820  
1 1 1 9   50  29 o 23.301  9.0485  339.956    327.112  0.0000     0.0000   339.956    327.112  ?       ?       23.301  9.0485  0.000000       9.048549  
1 1 1 9   50  30 o 25.405  9.9032  472.078    392.980  0.0000     0.0000   472.078    392.980  ?       ?       25.405  9.9032  0.000000       9.903239  
1 1 1 9   51  0  o 197.670 4.2977  21185.33   920.132  21580.41   1302.45  20791.69   1300.08  199.391 6.0310  195.706 6.1333  3.685318       8.601745  
1 1 1 9   51  1  o 343.675 6.0176  64113.47   2239.97  62300.82   3167.70  65926.36   3167.90  338.363 8.6435  348.115 8.4019  -9.752136      12.05416  
1 1 1 9   51  2  o 420.405 7.2938  96048.06   3321.16  93984.32   4696.92  98111.64   4696.73  415.106 10.447  424.186 10.223  -9.080719      14.61647  
1 1 1 9   51  3  o 175.708 3.4448  16732.83   655.588  16589.67   927.515  16875.76   926.769  174.884 4.8967  176.388 4.8510  -1.504120      6.892717  
1 1 1 9   51  4  o 246.813 4.5679  33036.93   1221.10  32749.04   1727.66  33324.32   1726.13  245.556 6.4959  247.710 6.4337  -2.154205      9.142692  
1 1 1 9   51  5  o 233.053 4.2472  29451.27   1072.08  29730.01   1517.82  29173.76   1514.48  234.006 5.9886  231.802 6.0322  2.203781       8.500010  
1 1 1 9   51  6  o 220.164 4.7392  26293.93   1130.11  27440.11   1969.26  25731.08   1379.97  224.554 8.0968  217.700 5.8525  6.853775       9.990459  
1 1 1 9   51  7  o 352.803 6.0638  67601.65   2317.13  68204.23   4644.62  67401.98   2673.61  352.842 12.153  352.111 7.0105  0.7314453      14.03042  
1 1 1 9   51  8  f 241.171 4.2890  31547.56   1120.35  32414.46   2256.25  31263.87   1290.72  243.902 8.5409  240.021 4.9649  3.881165       9.879101  
1 1 1 9   51  9  o 209.786 3.9679  23868.04   901.585  23537.41   1822.25  23975.21   1037.46  207.857 8.0942  210.208 4.5567  -2.351456      9.288698  
1 1 1 9   51  10 o 192.871 3.8343  20174.54   800.973  20252.31   1625.31  20149.59   920.516  192.806 7.7830  192.706 4.4103  0.9948730E-01  8.945686  
1 1 1 9   51  11 o 248.486 4.8598  33527.80   1307.94  33918.79   3459.27  33462.58   1412.81  247.607 12.944  248.188 5.2557  -0.5809784     13.97015  
1 1 1 9   51  12 o 143.181 3.1113  11116.24   482.504  11421.54   992.921  11021.86   552.071  144.846 6.3290  142.542 3.5759  2.303848       7.269340  
1 1 1 9   51  13 o 192.059 3.7822  20020.82   786.772  18964.91   1590.11  20363.13   905.364  186.230 7.8833  193.628 4.3170  -7.398483      8.987933  
1 1 1 9   51  14 o 109.566 2.8896  6511.81    342.918  6027.13    723.581  6652.20    389.427  104.887 6.4000  110.717 3.2474  -5.830574      7.176736  
1 1 1 9   51  15 o 99.382  2.7700  5358.69    298.165  4841.82    641.391  5501.19    336.766  93.893  6.3442  100.672 3.0885  -6.779411      7.056023  
1 1 1 9   51  16 o 178.605 3.7271  17347.65   720.989  18720.58   1405.57  16857.42   839.903  184.555 7.0317  175.917 4.4081  8.638580       8.299129  
1 1 1 9   51  17 o 105.865 3.6029  6098.49    413.119  5661.96    737.158  6298.37    498.811  101.185 6.7653  107.480 4.2849  -6.295631      8.008069  
1 1 1 9   51  18 o 40.528  4.7807  910.383    205.817  817.663    428.621  938.170    234.638  37.399  10.268  41.021  5.4133  -3.621883      11.60791  
1 1 1 9   51  19 o 87.291  2.7373  4142.19    258.794  4383.77    613.125  4089.82    285.470  88.829  6.4159  86.699  3.0400  2.130051       7.099670  
1 1 1 9   51  20 o 55.428  3.6800  1684.49    219.667  1375.55    493.829  1760.70    245.269  48.274  9.7799  56.606  4.0267  -8.331722      10.57648  
1 1 1 9   51  21 o 33.645  1.2712  613.735    46.323   352.046    450.091  616.537    46.570   27.964  10.678  33.722  1.2750  -5.757479      10.75361  
1 1 1 9   51  22 o 30.971  6.5283  556.681    212.085  462.138    458.810  582.372    239.171  29.743  10.896  31.534  7.1654  -1.790707      13.04079  
1 1 1 9   51  23 o 51.278  4.3908  1461.20    241.514  1637.47    509.460  1410.10    274.294  52.160  9.3618  50.138  5.1229  2.021660       10.67186  
1 1 1 9   51  24 o 51.372  4.6278  1474.85    254.729  1134.34    602.713  1548.90    281.065  41.553  12.428  52.521  5.0012  -10.96797      13.39669  
1 1 1 9   51  25 o 67.725  3.9730  2547.45    290.153  2615.96    571.861  2523.70    336.714  66.102  8.1606  67.094  4.6624  -0.9918594     9.398639  
1 1 1 9   51  26 o 52.479  4.6083  1563.86    259.284  1797.96    523.620  1487.81    298.441  52.683  9.5272  50.673  5.5273  2.009354       11.01447  
1 1 1 9   51  27 o 15.192  7.1679  -247.3512  307.729  0.0000     0.0000   -247.3512  307.729  ?       ?       15.192  7.1679  0.000000       7.167887  
1 1 1 9   51  28 o 21.074  8.7313  194.654    326.134  0.0000     0.0000   194.654    326.134  ?       ?       21.074  8.7313  0.000000       8.731255  
1 1 1 9   51  29 o 19.582  8.6828  69.671     366.272  0.0000     0.0000   69.671     366.272  ?       ?       19.582  8.6828  0.000000       8.682848  
1 1 1 9   51  30 o 20.796  9.0834  164.788    387.084  0.0000     0.0000   164.788    387.084  ?       ?       20.796  9.0834  0.000000       9.083405  
1 1 1 9   52  0  o 60.020  2.7357  1951.85    177.842  2076.83    255.807  1834.94    247.417  61.778  3.8421  58.045  3.9591  3.733425       5.516894  
1 1 1 9   52  1  o 179.017 3.5925  17370.00   696.568  17760.42   984.653  16978.87   985.539  180.944 5.0242  176.911 5.1434  4.033096       7.190094  
1 1 1 9   52  2  o 68.601  2.5249  2549.66    187.602  2392.30    263.992  2710.18    266.645  66.331  3.6891  70.713  3.4815  -4.382172      5.072485  
1 1 1 9   52  3  o 202.642 3.8567  22260.81   846.478  21958.80   1197.42  22562.50   1196.78  201.157 5.4959  203.909 5.4189  -2.752258      7.718125  
1 1 1 9   52  4  o 274.232 4.9782  40797.29   1478.64  40103.51   2091.75  41490.23   2090.48  271.645 7.1095  276.318 6.9850  -4.673553      9.966680  
1 1 1 9   52  5  o 234.108 4.4950  29724.46   1139.76  29435.25   1731.93  29945.39   1513.75  232.736 6.8706  234.846 5.9512  -2.109161      9.089641  
1 1 1 9   52  6  o 235.462 4.9110  30080.55   1252.46  31387.22   2180.77  29437.43   1529.94  240.096 8.3860  232.818 6.0672  7.278259       10.35066  
1 1 1 9   52  7  o 145.598 3.1516  11489.52   496.997  13789.44   1119.88  10925.45   554.605  159.296 6.4908  141.961 3.6070  17.33502       7.425701  
1 1 1 9   52  8  o 91.616  2.6742  4548.44    265.357  4727.92    570.748  4498.94    299.721  93.131  5.6855  91.108  3.0373  2.022392       6.445926  
1 1 1 9   52  9  o 177.990 3.7604  17179.55   724.940  16557.71   1768.80  17305.09   794.757  173.880 9.4272  178.617 4.1081  -4.736649      10.28346  
1 1 1 9   52  10 o 386.302 6.6236  81191.22   2771.36  79664.29   5554.81  81697.25   3197.78  379.889 13.500  387.213 7.6248  -7.323486      15.50466  
1 1 1 9   52  11 o 184.386 3.8496  18444.46   768.800  18559.87   1484.09  18402.13   898.798  184.517 7.4260  184.113 4.5072  0.4032745      8.686795  
1 1 1 9   52  12 o 195.240 3.8931  20687.26   823.264  18830.57   1664.92  21288.16   947.162  185.577 8.2832  197.995 4.4167  -12.41766      9.387158  
1 1 1 9   52  13 o 339.479 5.8415  62774.80   2147.85  64397.69   4306.52  62237.45   2478.06  340.909 11.663  337.686 6.7753  3.222290       13.48834  
1 1 1 9   52  14 o 211.518 3.9484  24308.60   904.552  28040.98   1826.35  23095.47   1041.23  226.228 7.4536  206.038 4.6658  20.18950       8.793558  
1 1 1 9   52  15 o 82.743  2.7482  3714.98    246.294  4258.89    531.561  3566.29    277.927  88.147  5.5967  81.044  3.1662  7.102989       6.430269  
1 1 1 9   52  16 o 115.310 2.9904  7221.62    373.482  7239.44    790.781  7216.51    423.718  114.690 6.3913  115.221 3.3953  -0.5312729     7.237190  
1 1 1 9   52  17 f 114.974 3.6008  7194.86    448.399  6523.89    800.211  7501.97    541.378  108.573 6.8397  117.285 4.2618  -8.712311      8.058814  
1 1 1 9   52  18 o 17.953  6.1173  164.174    142.492  -290.6680  390.553  234.017    153.042  18.276  8.4385  20.568  6.2876  -2.291435      10.52340  
1 1 1 9   52  19 o 19.306  6.6159  190.500    166.677  196.273    393.262  189.236    184.022  24.558  9.8031  19.642  6.9375  4.916073       12.00951  
1 1 1 9   52  20 o 93.010  3.0571  4711.96    307.970  5123.73    662.074  4598.26    347.900  95.858  6.4139  91.799  3.4990  4.058685       7.306263  
1 1 1 9   52  21 o 54.369  3.8944  1626.56    227.808  2037.01    517.123  1527.72    253.758  59.384  8.2639  52.541  4.5027  6.843857       9.410943  
1 1 1 9   52  22 o 80.003  2.7920  3489.81    241.929  3284.50    611.649  3527.88    263.410  75.693  7.5619  80.391  3.0252  -4.698700      8.144549  
1 1 1 9   52  23 o 74.126  2.6975  2997.90    216.574  1968.72    589.834  3158.27    232.838  56.882  9.9353  76.055  2.8265  -19.17284      10.32959  
1 1 1 9   52  24 o 28.793  7.1289  493.255    221.141  -109.5869  469.403  665.220    250.705  21.565  9.6776  33.505  7.1276  -11.93983      12.01908  
1 1 1 9   52  25 o 56.092  4.4003  1763.17    265.184  1172.24    530.424  1960.09    306.197  41.812  11.399  58.956  4.8378  -17.14460      12.38344  
1 1 1 9   52  26 f 20.648  7.4932  233.339    216.262  465.381    463.031  168.598    244.578  27.768  10.770  19.629  7.7638  8.138397       13.27703  
1 1 1 9   52  27 o 25.128  9.2134  394.530    328.161  0.0000     0.0000   394.530    328.161  ?       ?       25.128  9.2134  0.000000       9.213369  
1 1 1 9   52  28 o 15.588  7.3495  -228.9266  322.482  0.0000     0.0000   -228.9266  322.482  ?       ?       15.588  7.3495  0.000000       7.349496  
1 1 1 9   52  29 o 17.965  7.9150  47.618     299.631  0.0000     0.0000   47.618     299.631  ?       ?       17.965  7.9150  0.000000       7.915000  
1 1 1 9   52  30 o 18.816  8.7362  -76.0277   427.205  0.0000     0.0000   -76.0277   427.205  ?       ?       18.816  8.7362  0.000000       8.736182  
1 1 1 9   53  0  o 113.110 2.8398  6932.33    347.908  6990.87    495.430  6875.38    488.671  113.555 4.0281  112.614 4.0064  0.9412384      5.681289  
1 1 1 9   53  1  o 253.994 4.4586  34984.52   1226.57  35494.68   1734.58  34474.30   1734.69  255.671 6.2639  251.960 6.3565  3.711746       8.924200  
1 1 1 9   53  2  o 55.472  2.0959  1666.93    125.927  1572.51    148.591  1907.58    237.223  53.874  2.5465  59.205  3.7182  -5.331291      4.506645  
1 1 1 9   53  3  o 121.009 2.8191  7934.49    369.489  7834.52    521.526  8035.24    523.553  120.210 4.0056  121.741 3.9706  -1.531326      5.640033  
1 1 1 9   53  4  o 322.174 5.5848  56339.08   1948.82  54885.38   2756.60  57791.61   2755.49  317.609 8.0133  325.948 7.8051  -8.339355      11.18627  
1 1 1 9   53  5  o 292.522 5.0921  46431.73   1613.33  46118.49   2282.78  46744.32   2280.41  291.242 7.2367  293.220 7.1804  -1.978455      10.19452  
1 1 1 9   53  6  o 196.722 4.6195  20993.79   984.279  23864.58   2081.45  20166.93   1117.07  209.212 9.1856  192.752 5.3507  16.45955       10.63042  
1 1 1 9   53  7  o 127.466 2.9813  8805.73    411.601  8261.27    849.076  8972.98    470.592  123.130 6.3887  128.657 3.3771  -5.527794      7.226308  
1 1 1 9   53  8  o 158.170 3.3868  13562.65   580.215  12733.35   1180.89  13826.56   666.172  152.985 7.1267  159.678 3.8519  -6.692581      8.101055  
1 1 1 9   53  9  o 94.459  2.7399  4835.65    280.317  5242.84    599.802  4721.86    317.075  98.073  5.6708  93.330  3.1367  4.742538       6.480501  
1 1 1 9   53  10 o 130.757 3.0848  9269.06    436.874  8630.34    949.884  9440.42    491.999  125.701 7.0047  131.943 3.4428  -6.242340      7.805061  
1 1 1 9   53  11 o 158.495 3.3735  13624.10   579.111  12909.94   1185.81  13847.77   663.632  153.898 7.1140  159.757 3.8353  -5.859100      8.081973  
1 1 1 9   53  12 o 292.223 5.1958  46435.61   1644.52  49425.19   3303.66  45450.77   1896.14  299.746 10.176  288.894 6.0598  10.85208       11.84357  
1 1 1 9   53  13 o 110.666 2.9077  6642.86    348.522  6422.85    726.647  6708.60    397.190  108.339 6.2186  111.187 3.2982  -2.848412      7.039085  
1 1 1 9   53  14 o 181.383 3.6390  17870.36   714.894  18396.03   1447.39  17700.74   822.183  183.205 7.2942  180.429 4.2072  2.776306       8.420551  
1 1 1 9   53  15 o 61.603  2.8593  2059.92    190.782  2791.76    502.129  1936.45    206.249  71.069  6.5986  59.625  3.2055  11.44329       7.335983  
1 1 1 9   53  16 o 212.917 4.0512  24689.66   934.262  24598.04   1890.04  24719.29   1074.75  210.643 8.2843  212.851 4.6619  -2.208054      9.505889  
1 1 1 9   53  17 o 134.082 3.7126  9790.67    539.166  9809.22    955.755  9782.00    652.988  133.402 6.6147  133.847 4.5043  -0.4442596     8.002710  
1 1 1 9   53  18 o 42.391  2.2431  978.196    102.625  1386.31    441.606  954.898    105.514  49.096  8.6189  41.873  2.3358  7.223694       8.929855  
1 1 1 9   53  19 o 68.094  3.2052  2525.52    236.390  2598.29    521.596  2506.71    265.188  67.942  7.1977  67.690  3.6303  0.2513962      8.061346  
1 1 1 9   53  20 o 51.781  1.9375  1455.58    108.666  1291.50    448.777  1465.80    111.999  46.883  9.1663  51.959  1.9901  -5.076286      9.379832  
1 1 1 9   53  21 o 63.653  3.5938  2222.62    246.757  1564.34    548.353  2389.77    276.314  50.984  10.285  65.940  3.8860  -14.95617      10.99458  
1 1 1 9   53  22 o 62.742  3.6858  2165.00    249.369  1846.12    543.740  2249.93    280.621  55.656  9.3517  63.857  4.0787  -8.200726      10.20246  
1 1 1 9   53  23 o 118.221 3.2738  7654.44    419.199  6830.38    861.650  7909.97    479.811  109.045 7.3382  119.996 3.6918  -10.95094      8.214515  
1 1 1 9   53  24 o 81.179  3.4565  3621.27    303.912  3297.34    629.402  3719.76    347.051  74.909  7.8755  82.112  3.9022  -7.203697      8.789252  
1 1 1 9   53  25 o 67.543  3.8043  2535.87    277.174  2205.35    569.610  2638.42    317.269  59.513  9.1281  68.663  4.2876  -9.149239      10.08491  
1 1 1 9   53  26 o 43.503  6.2192  1129.02    284.701  0.0000     0.0000   1129.02    284.701  ?       ?       43.503  6.2192  0.000000       6.219214  
1 1 1 9   53  27 o 24.527  9.1412  368.471    325.397  0.0000     0.0000   368.471    325.397  ?       ?       24.527  9.1412  0.000000       9.141196  
1 1 1 9   53  28 f 19.495  8.6762  37.967     369.009  0.0000     0.0000   37.967     369.009  ?       ?       19.495  8.6762  0.000000       8.676228  
1 1 1 9   53  29 o 18.844  8.2905  73.043     327.659  0.0000     0.0000   73.043     327.659  ?       ?       18.844  8.2905  0.000000       8.290493  
1 1 1 9   53  30 o 17.839  8.2488  -79.2581   375.236  0.0000     0.0000   -79.2581   375.236  ?       ?       17.839  8.2488  0.000000       8.248819  
1 1 1 9   54  0  o 126.526 3.0495  8675.21    417.910  9086.83    594.339  8272.67    587.746  129.454 4.2388  123.513 4.3935  5.941193       6.104937  
1 1 1 9   54  1  o 349.959 6.1857  66502.14   2344.63  64324.31   3315.62  68680.45   3315.99  343.688 8.9070  355.198 8.6193  -11.50922      12.39463  
1 1 1 9   54  2  f 137.744 3.0803  10282.03   459.548  10390.96   648.935  10172.44   650.867  138.426 4.3283  136.960 4.3876  1.465775       6.163201  
1 1 1 9   54  3  o 227.057 4.3123  27957.80   1060.50  27115.79   1500.26  28798.72   1499.29  223.450 6.1989  230.299 6.0107  -6.849121      8.634501  
1 1 1 9   54  4  o 120.754 2.9987  7901.99    392.195  7485.82    555.216  8316.45    554.081  117.486 4.3632  123.842 4.1308  -6.356041      6.008428  
1 1 1 9   54  5  o 49.625  2.1691  1334.15    116.585  1303.56    136.316  1417.48    224.976  48.981  2.5786  50.962  4.1109  -1.980431      4.852658  
1 1 1 9   54  6  f 38.573  3.8376  814.751    158.202  735.489    341.423  836.421    178.523  36.023  8.8211  39.035  4.2935  -3.011509      9.810497  
1 1 1 9   54  7  o 113.870 2.8667  7027.13    353.556  6735.53    738.516  7113.83    402.702  111.167 6.1576  114.559 3.2455  -3.391716      6.960577  
1 1 1 9   54  8  o 96.217  2.7562  5017.12    287.228  5345.38    609.759  4923.52    325.616  99.033  5.7089  95.304  3.1545  3.729118       6.522417  
1 1 1 9   54  9  o 164.549 3.3635  14681.06   599.463  15672.32   1220.75  14366.07   688.147  169.717 6.6410  162.740 3.9041  6.976395       7.703525  
1 1 1 9   54  10 o 159.914 3.3982  13868.02   588.580  12793.82   1205.59  14204.17   674.415  153.219 7.2647  161.809 3.8482  -8.590302      8.220978  
1 1 1 9   54  11 o 245.474 4.3773  32719.59   1163.80  35554.22   2346.72  31795.04   1340.22  254.949 8.4984  241.863 5.1161  13.08592       9.919526  
1 1 1 9   54  12 o 181.061 3.8036  17796.48   745.912  16362.84   1824.01  18084.38   817.384  172.183 9.8213  182.480 4.1356  -10.29720      10.65653  
1 1 1 9   54  13 o 140.396 3.1394  10695.95   477.396  11352.41   981.552  10492.54   546.374  144.209 6.2842  139.008 3.6289  5.200516       7.256749  
1 1 1 9   54  14 o 71.261  2.7555  2755.27    212.682  2856.07    467.931  2729.02    238.771  72.048  6.0525  70.903  3.1092  1.144859       6.804382  
1 1 1 9   54  15 o 99.675  2.8392  5393.56    306.520  5373.22    688.435  5398.60    342.323  98.778  6.4705  99.691  3.1704  -0.9131088     7.205451  
1 1 1 9   54  16 o 129.852 3.0679  9162.70    431.474  9857.47    904.636  8958.10    490.910  133.973 6.2343  128.323 3.5320  5.649353       7.165323  
1 1 1 9   54  17 o 66.813  2.5698  2424.18    185.964  3043.79    509.776  2329.07    199.728  74.066  6.4180  65.471  2.8166  8.595825       7.008871  
1 1 1 9   54  18 o 141.848 3.2481  10953.13   499.028  11196.92   1024.68  10877.33   571.364  142.251 6.6506  141.239 3.7350  1.011215       7.627647  
1 1 1 9   54  19 o 137.346 3.1828  10275.47   473.471  10200.65   975.968  10298.50   541.455  135.529 6.6486  137.378 3.6389  -1.848373      7.579315  
1 1 1 9   54  20 o 38.142  4.8829  812.724    197.092  611.197    430.915  866.035    221.633  32.626  10.627  39.277  5.3489  -6.651054      11.89734  
1 1 1 9   54  21 o 129.160 3.2620  9110.54    456.339  8350.18    934.542  9348.60    522.920  121.565 7.1289  130.682 3.6944  -9.117622      8.029366  
1 1 1 9   54  22 o 42.498  4.8135  1010.96    217.657  640.097    491.306  1101.52    242.781  33.063  11.357  44.280  5.1588  -11.21697      12.47402  
1 1 1 9   54  23 o 31.046  7.0463  569.542    231.512  382.208    476.218  627.518    264.926  28.228  10.930  32.431  7.6636  -4.202772      13.34910  
1 1 1 9   54  24 o 53.363  4.4751  1592.33    256.260  2268.42    526.426  1382.36    293.366  61.785  8.0584  49.254  5.5986  12.53078       9.812340  
1 1 1 9   54  25 o 43.794  5.1214  1098.62    238.341  946.159    501.997  1142.99    270.810  37.086  11.396  44.365  5.7725  -7.278782      12.77446  
1 1 1 9   54  26 o 28.078  8.1802  508.353    263.961  0.0000     0.0000   508.353    263.961  ?       ?       28.078  8.1802  0.000000       8.180196  
1 1 1 9   54  27 o 47.098  7.2850  1384.60    359.629  0.0000     0.0000   1384.60    359.629  ?       ?       47.098  7.2850  0.000000       7.284976  
1 1 1 9   54  28 o 44.908  7.8364  1312.86    367.301  0.0000     0.0000   1312.86    367.301  ?       ?       44.908  7.8364  0.000000       7.836390  
1 1 1 9   54  29 o 24.964  9.3143  435.766    338.025  0.0000     0.0000   435.766    338.025  ?       ?       24.964  9.3143  0.000000       9.314349  
1 1 1 9   55  0  o 413.722 7.6274  93083.90   3417.86  93694.45   5287.70  92645.74   4479.41  413.876 11.796  412.118 10.035  1.757202       15.48699  
1 1 1 9   55  1  o 287.127 5.0073  44728.16   1557.21  45742.30   2202.50  43714.54   2201.94  290.110 7.0094  283.583 7.1689  6.526489       10.02627  
1 1 1 9   55  2  o 267.742 4.9546  38892.52   1436.80  38083.96   2032.02  39700.96   2031.88  264.692 7.0879  270.274 6.9410  -5.581421      9.920477  
1 1 1 9   55  3  o 127.508 2.9253  8810.50    404.003  9176.80    571.679  8445.05    571.015  130.092 4.0572  124.791 4.2247  5.301109       5.857394  
1 1 1 9   55  4  o 377.738 6.9650  77570.01   2849.59  76485.45   4400.04  78353.52   3739.83  374.060 10.860  379.123 9.1075  -5.063812      14.17376  
1 1 1 9   55  5  o 503.731 8.1813  138188.59  4463.67  137927.30  6313.61  138449.59  6311.56  501.831 11.616  502.793 11.590  -0.9617615     16.40889  
1 1 1 9   55  6  o 160.354 3.3284  13938.72   578.087  13857.86   817.998  14019.40   817.079  159.810 4.7258  160.741 4.6932  -0.9309387     6.660286  
1 1 1 9   55  7  o 92.513  3.3233  4639.72    333.001  4112.93    603.408  4870.42    399.315  86.741  6.4692  94.767  3.8903  -8.026001      7.548850  
1 1 1 9   55  8  o 156.748 3.3211  13321.00   563.846  13094.31   1149.20  13392.87   647.086  155.125 6.8398  157.143 3.8019  -2.017960      7.825435  
1 1 1 9   55  9  o 189.741 3.9099  19530.46   803.513  20900.72   1994.89  19265.10   877.874  195.473 9.4224  188.413 4.3018  7.060501       10.35794  
1 1 1 9   55  10 o 35.264  3.3798  680.635    127.512  1269.70    373.589  602.962    135.658  47.687  7.4790  33.113  3.8546  14.57410       8.413909  
1 1 1 9   55  11 o 209.260 4.2483  23778.97   962.867  22518.29   2452.56  24008.69   1046.92  201.692 11.272  210.219 4.5980  -8.526764      12.17376  
1 1 1 9   55  12 o 133.614 3.1851  9686.06    460.940  9187.72    932.945  9847.00    530.169  129.559 6.6711  134.682 3.6344  -5.122696      7.596835  
1 1 1 9   55  13 o 49.538  3.0723  1336.83    164.031  1085.17    387.964  1391.61    181.005  43.701  8.5026  50.522  3.3264  -6.821358      9.130141  
1 1 1 9   55  14 o 113.409 2.9264  6981.29    359.463  7048.60    744.120  6960.80    410.542  113.363 6.0826  113.202 3.3484  0.1612930      6.943313  
1 1 1 9   55  15 o 87.044  2.8660  4114.15    270.195  3714.22    613.339  4210.46    300.974  81.883  6.9824  88.032  3.1566  -6.148735      7.662801  
1 1 1 9   55  16 o 135.106 3.1531  9922.92    461.405  10277.30   952.916  9814.39    527.347  136.678 6.4370  134.283 3.6258  2.395004       7.387972  
1 1 1 9   55  17 o 43.740  6.8590  1081.17    314.263  1158.31    444.822  1004.29    444.049  44.594  9.5003  41.375  10.016  3.219612       13.80507  
1 1 1 9   55  18 f 79.653  3.0028  3451.98    259.061  3421.61    569.383  3459.91    290.917  78.286  6.7821  79.696  3.3703  -1.410294      7.573354  
1 1 1 9   55  19 o 88.832  2.7425  4292.60    263.873  4487.55    623.538  4250.07    291.237  89.708  6.4607  88.346  3.0436  1.362701       7.141699  
1 1 1 9   55  20 o 84.411  3.1373  3885.14    286.832  3845.74    599.446  3896.84    326.655  82.716  6.7498  84.453  3.5711  -1.736481      7.636303  
1 1 1 9   55  21 o 54.813  3.7096  1652.90    218.935  1688.16    481.179  1643.69    245.858  53.682  8.5636  54.542  4.1939  -0.8606148     9.535425  
1 1 1 9   55  22 o 90.373  2.9225  4459.59    286.065  4470.73    660.030  4457.01    317.428  88.589  6.9342  90.261  3.2470  -1.671753      7.656724  
1 1 1 9   55  23 o 34.703  2.0161  657.287    75.453   931.585    479.669  650.328    76.404   38.369  10.984  34.514  2.0531  3.855530       11.17404  
1 1 1 9   55  24 o 101.433 3.1012  5644.91    340.706  5851.45    745.276  5590.34    383.079  100.558 6.8842  100.758 3.5102  -0.2003860     7.727458  
1 1 1 9   55  25 o 70.453  3.8365  2769.56    291.647  3170.80    594.026  2642.12    334.773  72.335  7.7005  68.405  4.5443  3.930115       8.941374  
1 1 1 9   55  26 o 18.565  8.1985  5.7466     323.307  0.0000     0.0000   5.7466     323.307  ?       ?       18.565  8.1985  0.000000       8.198453  
1 1 1 9   55  27 o 17.326  7.9556  -113.7037  340.442  0.0000     0.0000   -113.7037  340.442  ?       ?       17.326  7.9556  0.000000       7.955618  
1 1 1 9   55  28 o 16.332  7.5609  -129.4615  316.595  0.0000     0.0000   -129.4615  316.595  ?       ?       16.332  7.5609  0.000000       7.560883  
1 1 1 9   55  29 o 19.833  8.5746  135.353    337.690  0.0000     0.0000   135.353    337.690  ?       ?       19.833  8.5746  0.000000       8.574553  
1 1 1 9   56  0  o 56.527  2.8984  1736.06    176.858  1734.40    258.406  1737.53    242.574  56.393  4.2621  56.468  3.9919  -0.7513046E-01 5.839579  
1 1 1 9   56  1  o 174.412 3.8328  16492.34   724.037  16178.47   1023.74  16806.46   1024.15  172.644 5.4748  175.970 5.3735  -3.326141      7.671198  
1 1 1 9   56  2  f 237.273 4.6762  30540.42   1201.74  28572.07   1827.12  32041.13   1595.38  229.211 7.3597  242.891 6.0643  -13.68027      9.536328  
1 1 1 9   56  3  o 210.260 3.9656  23971.84   903.103  24537.25   1278.02  23407.91   1276.34  212.596 5.5503  207.634 5.6754  4.961807       7.938243  
1 1 1 9   56  4  o 128.356 3.0269  8929.02    420.802  9227.11    596.333  8633.38    593.883  130.433 4.2211  126.161 4.3461  4.271851       6.058628  
1 1 1 9   56  5  o 214.529 4.3028  24963.59   999.792  24659.96   1510.83  25200.15   1333.55  212.996 6.5490  215.411 5.7157  -2.415298      8.692447  
1 1 1 9   56  6  o 187.097 3.6111  18979.69   731.768  18735.71   1037.77  19220.97   1032.01  185.776 5.1575  188.174 5.0635  -2.398666      7.227668  
1 1 1 9   56  7  o 404.382 7.8768  89103.79   3449.95  89360.10   5983.84  88976.16   4222.37  402.455 13.728  403.468 9.6622  -1.012482      16.78700  
1 1 1 9   56  8  o 157.556 3.2470  13458.88   554.103  15034.50   1132.80  12963.32   635.292  166.261 6.2906  154.596 3.7941  11.66533       7.346172  
1 1 1 9   56  9  o 296.026 5.2335  47615.57   1678.01  46729.65   3368.52  47907.97   1935.21  291.734 10.661  296.774 6.0205  -5.039825      12.24314  
1 1 1 9   56  10 o 212.577 3.9287  24525.18   904.560  27017.71   1830.06  23719.36   1040.56  222.461 7.5953  208.972 4.5973  13.48853       8.878274  
1 1 1 9   56  11 o 241.017 4.3424  31556.43   1133.56  34461.95   2286.76  30609.89   1305.21  250.794 8.4185  237.238 5.0795  13.55513       9.832221  
1 1 1 9   56  12 o 136.226 3.1424  10069.56   463.657  11256.86   938.183  9685.86    533.341  143.656 6.0297  133.556 3.6870  10.10051       7.067575  
1 1 1 9   56  13 o 138.776 3.1802  10454.92   478.010  10335.46   979.717  10492.24   547.614  137.437 6.5815  138.972 3.6381  -1.534546      7.520122  
1 1 1 9   56  14 o 189.947 3.6488  19614.57   750.671  22867.19   1539.72  18600.38   859.776  204.057 6.9666  184.834 4.2947  19.22285       8.183972  
1 1 1 9   56  15 o 60.485  1.6923  1983.22    110.864  1955.30    178.335  2000.82    141.536  60.010  2.7437  60.735  2.1516  -0.7248268     3.486759  
1 1 1 9   56  16 o 195.759 3.7711  20871.47   799.569  20355.20   1622.38  21037.10   918.917  191.540 7.8203  196.361 4.3207  -4.820282      8.934480  
1 1 1 9   56  17 o 72.562  4.9401  2896.31    385.941  3367.81    546.857  2428.44    544.755  77.836  6.5476  65.623  7.8182  12.21203       10.19777  
1 1 1 9   56  18 o 18.908  6.4801  182.543    159.908  -113.8626  402.073  238.235    174.284  20.435  9.0774  20.958  6.7528  -0.5233612     11.31372  
1 1 1 9   56  19 o 24.229  6.3695  337.626    169.359  -85.2702   410.738  424.253    185.898  20.940  9.2443  27.118  6.4272  -6.178703      11.25903  
1 1 1 9   56  20 o 83.471  2.7801  3794.40    251.344  3581.10    602.532  3839.33    276.555  79.608  7.0613  83.917  3.0427  -4.308693      7.688941  
1 1 1 9   56  21 o 93.695  3.1211  4793.70    316.731  4604.97    662.954  4849.52    360.540  90.204  6.8364  94.129  3.5364  -3.925110      7.696912  
1 1 1 9   56  22 o 20.950  7.1906  233.698    196.920  197.096    440.227  242.853    220.175  24.939  10.219  21.591  7.5923  3.348261       12.73032  
1 1 1 9   56  23 o 29.605  6.6237  516.129    207.080  339.907    476.421  557.178    229.937  27.468  10.845  30.652  7.0702  -3.184341      12.94591  
1 1 1 9   56  24 o 32.027  6.5516  608.409    219.604  744.139    487.117  573.787    246.024  33.890  11.312  30.759  7.4611  3.130335       13.55062  
1 1 1 9   56  25 f 40.271  5.5063  945.352    233.880  1221.24    503.292  869.368    264.131  41.917  10.961  37.991  6.6619  3.925636       12.82703  
1 1 1 9   56  26 o 19.532  8.1970  118.441    292.870  0.0000     0.0000   118.441    292.870  ?       ?       19.532  8.1970  0.000000       8.197016  
1 1 1 9   56  27 o 37.414  8.3873  926.046    331.481  0.0000     0.0000   926.046    331.481  ?       ?       37.414  8.3873  0.000000       8.387266  
1 1 1 9   56  28 o 35.235  8.9155  867.457    340.512  0.0000     0.0000   867.457    340.512  ?       ?       35.235  8.9155  0.000000       8.915459  
1 1 1 9   56  29 o 48.118  8.1897  1559.18    411.529  0.0000     0.0000   1559.18    411.529  ?       ?       48.118  8.1897  0.000000       8.189656  
1 1 1 9   57  0  o 288.166 5.2080  45067.01   1625.49  44926.02   2300.00  45207.71   2297.58  287.402 7.3887  288.307 7.3578  -0.9047852     10.42734  
1 1 1 9   57  1  o 340.207 5.9348  62857.43   2186.83  61044.30   3092.49  64670.94   3092.81  334.760 8.5291  344.617 8.2860  -9.856995      11.89134  
1 1 1 9   57  2  o 81.400  2.7916  3590.60    246.118  3404.73    347.113  3778.51    349.022  79.133  4.0636  83.478  3.8602  -4.345474      5.604811  
1 1 1 9   57  3  o 78.705  2.7345  3356.70    233.103  3423.68    330.442  3290.35    328.878  79.462  3.8394  77.799  3.9154  1.662560       5.483789  
1 1 1 9   57  4  o 379.438 6.9338  78292.72   2849.57  75558.62   4399.58  80268.56   3740.07  371.614 10.931  383.653 9.0006  -12.03867      14.15949  
1 1 1 9   57  5  o 180.685 3.4187  17698.81   669.037  17598.40   948.813  17798.11   943.532  180.074 4.8647  181.098 4.8103  -1.023148      6.841399  
1 1 1 9   57  6  o 132.074 3.0374  9455.16    434.500  9088.37    618.454  9812.67    610.573  129.423 4.4119  134.493 4.1915  -5.070770      6.085514  
1 1 1 9   57  7  o 148.950 3.7643  12032.93   607.294  12720.44   1070.50  11706.67   737.445  152.923 6.4631  146.860 4.6361  6.062881       7.954001  
1 1 1 9   57  8  o 188.349 3.6934  19242.38   753.467  18542.46   1524.84  19468.48   866.663  184.412 7.6342  189.406 4.2246  -4.993774      8.725160  
1 1 1 9   57  9  o 92.578  2.6952  4645.94    270.253  5747.53    580.384  4340.96    305.380  102.702 5.2349  89.472  3.1512  13.22949       6.110231  
1 1 1 9   57  10 o 60.122  2.6578  1959.60    173.071  2723.68    420.867  1804.10    189.867  70.537  5.5538  57.596  3.0545  12.94045       6.338326  
1 1 1 9   57  11 o 102.677 2.8693  5717.91    319.098  4982.21    680.735  5925.08    361.245  95.309  6.6358  104.502 3.1916  -9.193039      7.363410  
1 1 1 9   57  12 o 186.103 3.7068  18811.64   747.173  18791.85   1515.62  18818.00   858.782  185.146 7.5580  186.046 4.2618  -0.9000244     8.676734  
1 1 1 9   57  13 o 201.729 4.0720  22133.77   889.700  23672.48   1701.63  21554.87   1043.73  207.526 7.5705  198.895 4.8450  8.630722       8.988100  
1 1 1 9   57  14 o 87.805  2.6378  4184.36    250.863  4387.78    625.077  4145.30    273.888  89.193  6.5155  87.375  2.8941  1.817345       7.129366  
1 1 1 9   57  15 o 75.681  2.9209  3111.44    239.423  3909.29    559.261  2932.40    264.927  84.161  6.1785  73.437  3.3308  10.72408       7.019079  
1 1 1 9   57  16 o 20.881  5.9997  245.170    142.878  458.164    411.253  215.932    152.370  29.784  10.382  19.937  6.3025  9.847101       12.14504  
1 1 1 9   57  17 o 183.747 5.8944  18592.01   1173.09  17856.95   1883.85  19057.57   1499.25  177.233 9.8526  185.103 7.4781  -7.869568      12.36911  
1 1 1 9   57  18 f 102.361 2.9365  5701.60    325.561  5229.81    713.879  5825.48    365.817  96.785  6.8543  103.408 3.2662  -6.623444      7.592740  
1 1 1 9   57  19 f 78.666  3.1344  3372.51    267.064  3230.83    578.342  3410.92    301.087  75.706  7.1374  79.049  3.5166  -3.342659      7.956724  
1 1 1 9   57  20 o 31.017  5.8950  551.180    190.801  397.120    425.252  590.011    213.498  28.294  10.469  31.992  6.3852  -3.697218      12.26244  
1 1 1 9   57  21 o 83.803  2.8377  3830.31    257.568  2954.82    608.466  4021.44    284.296  71.513  7.9923  85.820  3.0585  -14.30651      8.557512  
1 1 1 9   57  22 o 75.571  3.3663  3128.59    275.538  2728.99    566.117  3252.64    315.420  68.554  7.7610  76.938  3.7851  -8.383911      8.634847  
1 1 1 9   57  23 f 77.912  3.3301  3331.28    281.016  2484.17    597.915  3571.46    318.371  64.364  8.8080  80.565  3.6485  -16.20190      9.533755  
1 1 1 9   57  24 o 74.687  3.5192  3080.22    284.684  2848.73    610.008  3144.68    321.887  68.455  8.4038  75.172  3.9675  -6.716705      9.293324  
1 1 1 9   57  25 o 14.506  6.6272  -107.0286  232.230  0.0000     0.0000   -107.0286  232.230  ?       ?       14.506  6.6272  0.000000       6.627190  
1 1 1 9   57  26 o 20.099  8.2907  154.169    292.212  0.0000     0.0000   154.169    292.212  ?       ?       20.099  8.2907  0.000000       8.290721  
1 1 1 9   57  27 o 37.234  8.4319  923.327    332.143  0.0000     0.0000   923.327    332.143  ?       ?       37.234  8.4319  0.000000       8.431891  
1 1 1 9   57  28 o 34.238  9.0128  827.616    338.799  0.0000     0.0000   827.616    338.799  ?       ?       34.238  9.0128  0.000000       9.012822  
1 1 1 9   57  29 o 25.666  9.3350  469.186    335.911  0.0000     0.0000   469.186    335.911  ?       ?       25.666  9.3350  0.000000       9.335023  
1 1 1 9   58  0  o 258.696 4.7463  36310.13   1329.88  36461.23   1881.61  36159.30   1879.87  258.994 6.7076  257.916 6.7294  1.077667       9.501474  
1 1 1 9   58  1  o 509.776 8.6608  141615.30  4781.98  137001.00  6762.93  146229.00  6762.57  499.723 12.495  516.491 12.089  -16.76843      17.38564  
1 1 1 9   58  2  o 87.084  2.7174  4109.54    256.306  4286.60    360.688  3928.93    364.283  88.916  3.7453  85.120  3.9513  3.796082       5.444240  
1 1 1 9   58  3  o 30.276  1.3067  496.466    42.849   507.244    44.384   348.681    164.352  30.602  1.3391  24.845  6.1423  5.757395       6.286583  
1 1 1 9   58  4  o 265.717 4.9818  38322.90   1433.74  37050.53   2028.36  39593.42   2026.88  260.952 7.1765  269.800 6.9361  -8.847900      9.980580  
1 1 1 9   58  5  o 159.620 3.4622  13814.11   598.556  13512.08   884.457  14069.32   813.019  157.752 5.1765  161.012 4.6620  -3.259613      6.966349  
1 1 1 9   58  6  f 67.860  2.8523  2495.98    209.645  2230.25    308.120  2725.05    286.071  63.951  4.4766  70.786  3.7446  -6.834507      5.836279  
1 1 1 9   58  7  o 42.043  3.7113  966.175    167.265  1099.68    355.068  928.098    189.624  44.290  7.6801  41.129  4.3213  3.161381       8.812341  
1 1 1 9   58  8  o 188.402 3.6373  19254.78   742.232  21502.35   1505.11  18532.56   853.191  198.646 6.9955  184.777 4.2631  13.86905       8.192128  
1 1 1 9   58  9  o 108.476 2.7884  6379.63    327.610  7126.38    688.745  6161.27    372.442  114.459 5.5557  106.583 3.2263  7.875763       6.424514  
1 1 1 9   58  10 o 104.529 2.8132  5925.09    318.503  5552.09    666.950  6035.28    362.511  100.749 6.1413  105.478 3.1732  -4.728439      6.912632  
1 1 1 9   58  11 o 142.105 3.1638  10957.81   486.950  10629.82   1005.06  11058.42   556.646  139.489 6.6525  142.714 3.6012  -3.225037      7.564616  
1 1 1 9   58  12 o 90.581  2.5349  4450.13    248.693  4877.13    445.260  4256.53    299.818  94.689  4.3416  88.554  3.1259  6.134758       5.349831  
1 1 1 9   58  13 o 128.410 3.0388  8952.99    422.641  9927.00    915.720  8689.35    476.420  134.644 6.2792  126.454 3.4785  8.189857       7.178308  
1 1 1 9   58  14 o 69.078  2.9502  2591.67    220.729  2866.12    532.398  2534.71    242.558  71.861  6.9260  68.292  3.2793  3.569298       7.663121  
1 1 1 9   58  15 o 100.355 2.8594  5471.13    310.800  6062.58    685.045  5317.83    348.760  104.902 6.0550  98.893  3.2561  6.009125       6.874968  
1 1 1 9   58  16 o 74.740  3.0584  3037.49    247.583  3028.62    558.503  3039.65    276.205  73.663  7.0876  74.729  3.4125  -1.066597      7.866352  
1 1 1 9   58  17 o 29.855  8.6978  512.434    298.426  324.036    425.109  695.486    419.034  27.364  10.394  34.601  10.366  -7.236923      14.67962  
1 1 1 9   58  18 o 79.617  3.1303  3452.33    269.940  3408.22    577.005  3464.68    305.425  77.982  6.9028  79.697  3.5383  -1.714645      7.756770  
1 1 1 9   58  19 o 93.581  3.0758  4772.90    311.760  3981.82    660.615  4999.56    353.615  83.950  7.3391  95.708  3.4112  -11.75754      8.093140  
1 1 1 9   58  20 o 96.266  3.1147  5057.40    324.761  4655.26    682.336  5175.18    369.270  90.728  6.9977  97.282  3.5046  -6.554306      7.826268  
1 1 1 9   58  21 o 88.174  3.1928  4249.98    304.923  4065.00    634.008  4305.64    347.787  84.507  6.9895  88.631  3.6229  -4.124298      7.872650  
1 1 1 9   58  22 o 36.272  2.3988  719.849    93.709   699.791    453.809  720.743    95.773   33.831  10.896  36.287  2.4512  -2.456081      11.16855  
1 1 1 9   58  23 o 40.907  4.5139  939.985    196.667  840.702    352.464  984.869    236.988  36.917  8.9155  41.578  5.3893  -4.660950      10.41777  
1 1 1 9   58  24 o 44.146  4.9918  1112.35    234.490  1200.19    515.559  1089.44    263.300  42.026  11.145  43.331  5.7525  -1.304573      12.54158  
1 1 1 9   58  25 o 48.801  6.5333  1427.66    336.666  0.0000     0.0000   1427.66    336.666  ?       ?       48.801  6.5333  0.000000       6.533337  
1 1 1 9   58  26 o 38.384  7.9166  943.152    318.200  0.0000     0.0000   943.152    318.200  ?       ?       38.384  7.9166  0.000000       7.916637  
1 1 1 9   58  27 o 56.358  6.1180  1919.25    367.453  0.0000     0.0000   1919.25    367.453  ?       ?       56.358  6.1180  0.000000       6.118007  
1 1 1 9   58  28 o 53.537  7.1409  1826.43    403.747  0.0000     0.0000   1826.43    403.747  ?       ?       53.537  7.1409  0.000000       7.140883  
1 1 1 9   59  0  o 160.018 3.5172  13881.54   609.582  13963.39   900.024  13812.17   828.562  160.389 5.1809  159.544 4.7948  0.8445129      7.059221  
1 1 1 9   59  1  o 208.066 4.0648  23478.26   916.028  22413.10   1378.28  24321.01   1225.97  203.090 6.2658  211.656 5.3479  -8.565521      8.237732  
1 1 1 9   59  2  o 69.870  2.7239  2645.50    206.136  2408.66    291.522  2882.34    291.519  66.518  4.0659  72.816  3.7086  -6.297531      5.503189  
1 1 1 9   59  3  o 134.677 3.0946  9831.39    451.413  9597.56    638.840  10064.57   637.949  133.003 4.4347  136.207 4.3243  -3.203659      6.194021  
1 1 1 9   59  4  f 165.611 3.4459  14870.53   618.104  14898.66   913.484  14846.77   839.462  165.654 5.0913  165.397 4.6860  0.2565765      6.919554  
1 1 1 9   59  5  o 203.997 3.9650  22573.50   876.064  21827.27   1240.83  23315.21   1237.06  200.421 5.7161  207.164 5.5132  -6.743057      7.941623  
1 1 1 9   59  6  o 218.589 4.0856  25924.32   967.276  25447.67   1370.46  26397.48   1365.42  216.359 5.8482  220.377 5.7204  -4.018875      8.180770  
1 1 1 9   59  7  f 45.508  3.8676  1131.69    188.825  825.884    377.228  1233.92    218.117  38.100  9.2371  47.488  4.2870  -9.387527      10.18338  
1 1 1 9   59  8  f 35.302  3.4179  682.303    129.050  478.833    332.828  718.306    140.002  29.698  9.3046  36.207  3.6185  -6.509007      9.983440  
1 1 1 9   59  9  o 137.459 3.0665  10247.94   456.550  10721.95   938.272  10100.90   522.588  140.283 6.1752  136.436 3.5364  3.847229       7.116142  
1 1 1 9   59  10 o 112.076 2.8066  6812.38    340.688  7484.31    711.803  6612.72    388.019  117.218 5.6065  110.394 3.2452  6.823700       6.477997  
1 1 1 9   59  11 o 27.030  4.0323  405.718    114.441  194.941    345.418  431.708    121.292  23.810  9.2838  27.882  4.1423  -4.072210      10.16598  
1 1 1 9   59  12 o 30.575  3.6282  515.043    117.803  521.575    342.209  514.165    125.472  30.642  9.4078  30.510  3.8851  0.1322899      10.17847  
1 1 1 9   59  13 o 167.785 3.3542  15298.14   609.557  16389.70   1254.21  14960.56   697.472  172.785 6.7018  165.827 3.8833  6.957840       7.745599  
1 1 1 9   59  14 o 49.517  2.3308  1330.37    125.006  1160.02    158.384  1611.80    203.572  46.090  3.1924  54.330  3.4777  -8.239555      4.720812  
1 1 1 9   59  15 o 199.885 3.7836  21760.52   819.140  22588.62   1666.56  21496.73   940.600  201.910 7.6207  198.480 4.3754  3.430389       8.787425  
1 1 1 9   59  16 o 63.709  3.3901  2215.84    233.087  1806.28    516.026  2320.83    261.259  56.174  8.7678  65.153  3.7176  -8.979473      9.523379  
1 1 1 9   59  17 o 79.946  2.9659  3477.42    256.815  3497.64    577.037  3472.43    286.784  79.129  6.7989  79.842  3.3163  -0.7129898     7.564557  
1 1 1 9   59  18 f 100.609 3.1028  5513.46    338.111  4510.18    706.085  5811.95    385.138  89.545  7.3449  103.227 3.4447  -13.68256      8.112587  
1 1 1 9   59  19 o 40.246  2.0802  882.187    90.366   695.790    444.457  890.225    92.294   34.351  10.751  40.426  2.1152  -6.074902      10.95683  
1 1 1 9   59  20 o 68.545  3.3101  2567.30    245.749  2450.86    537.921  2598.01    276.264  65.291  7.7585  68.776  3.7225  -3.484520      8.605360  
1 1 1 9   59  21 o 37.882  5.1040  809.625    204.085  483.065    444.156  897.025    229.779  29.764  10.748  39.793  5.4765  -10.02885      12.06292  
1 1 1 9   59  22 f 133.143 3.3128  9713.69    477.728  7874.01    971.091  10301.07   548.719  116.676 7.7281  136.911 3.7003  -20.23499      8.568314  
1 1 1 9   59  23 o 48.606  1.7805  1284.96    93.737   639.463    454.357  1313.65    95.798   32.060  10.923  49.144  1.7998  -17.08360      11.07073  
1 1 1 9   59  24 o 71.668  2.7078  2819.34    210.193  2649.14    579.007  2845.18    225.582  65.524  8.3482  71.927  2.8956  -6.403252      8.836152  
1 1 1 9   59  25 o 52.206  5.6187  1593.10    312.702  0.0000     0.0000   1593.10    312.702  ?       ?       52.206  5.6187  0.000000       5.618666  
1 1 1 9   59  26 o 31.508  8.4929  658.391    296.408  0.0000     0.0000   658.391    296.408  ?       ?       31.508  8.4929  0.000000       8.492917  
1 1 1 9   59  27 o 29.637  9.0747  612.943    318.647  0.0000     0.0000   612.943    318.647  ?       ?       29.637  9.0747  0.000000       9.074708  
1 1 1 9   59  28 o 20.418  8.5350  187.069    315.603  0.0000     0.0000   187.069    315.603  ?       ?       20.418  8.5350  0.000000       8.535049  
1 1 1 9   60  0  o 68.827  2.9763  2567.49    221.875  2497.23    314.736  2636.91    312.830  67.711  4.3140  69.599  4.1691  -1.887917      5.999331  
1 1 1 9   60  1  o 409.847 7.0265  91389.11   3119.12  90002.51   4411.60  92775.09   4410.61  405.752 10.038  412.013 9.8836  -6.261505      14.08745  
1 1 1 9   60  2  o 43.217  3.2312  1018.14    150.152  621.796    209.426  1437.38    215.393  33.319  6.0250  51.333  3.9033  -18.01461      7.178906  
1 1 1 9   60  3  o 145.332 3.3637  11451.35   529.481  11359.24   774.571  11532.15   725.440  144.652 4.9439  145.773 4.5947  -1.121033      6.749290  
1 1 1 9   60  4  f 199.686 3.8312  21627.35   828.609  22737.66   1173.40  20522.98   1170.27  204.605 5.2949  194.356 5.5592  10.24873       7.677343  
1 1 1 9   60  5  o 138.004 3.0863  10324.89   461.313  10407.23   654.493  10243.60   650.317  138.479 4.3636  137.386 4.3703  1.093384       6.175846  
1 1 1 9   60  6  o 83.990  2.4956  3823.20    227.029  3757.40    302.004  3908.70    344.267  83.239  3.3498  84.884  3.7446  -1.644882      5.024210  
1 1 1 9   60  7  o 173.046 3.6685  16246.10   687.575  15525.32   1026.24  16833.20   926.196  168.959 5.6078  176.025 4.8580  -7.065491      7.419443  
1 1 1 9   60  8  o 75.264  2.6764  3071.08    218.177  3451.90    482.383  2973.14    244.628  79.448  5.6425  74.042  3.0504  5.406067       6.414236  
1 1 1 9   60  9  o 104.229 2.7870  5891.27    314.624  6560.90    660.726  5694.91    357.792  109.629 5.5830  102.454 3.2243  7.174835       6.447160  
1 1 1 9   60  10 o 174.872 3.6998  16606.52   700.763  14794.56   1697.80  16978.59   769.354  163.494 9.6302  176.777 4.0182  -13.28271      10.43489  
1 1 1 9   60  11 o 89.783  2.6420  4372.71    256.921  4913.43    569.239  4234.38    287.915  94.742  5.5718  88.330  3.0094  6.411919       6.332633  
1 1 1 9   60  12 o 49.433  2.9501  1331.27    157.229  2016.97    466.787  1243.51    166.987  60.157  7.3146  47.739  3.2489  12.41839       8.003704  
1 1 1 9   60  13 o 73.915  2.9075  2966.89    232.771  2694.73    552.367  3025.66    256.674  69.540  7.4496  74.624  3.1756  -5.083755      8.098213  
1 1 1 9   60  14 o 73.590  2.8801  2941.79    229.561  2763.91    549.134  2979.46    252.702  70.389  7.3095  74.037  3.1513  -3.648354      7.959830  
1 1 1 9   60  15 o 89.530  2.8288  4355.35    274.309  5456.31    626.242  4093.97    305.140  99.506  5.8361  86.756  3.2474  12.75086       6.678760  
1 1 1 9   60  16 o 78.377  4.7715  3375.53    403.127  3390.80    577.762  3361.05    562.751  77.942  6.9158  77.648  6.7588  0.2937012      9.670033  
1 1 1 9   60  17 o 104.894 3.6294  6001.64    412.341  5700.68    733.641  6140.61    498.536  101.141 6.7356  105.938 4.3449  -4.796158      8.015364  
1 1 1 9   60  18 o 42.041  4.2488  977.607    190.812  807.488    450.411  1014.82    210.649  36.815  10.674  42.761  4.6217  -5.946423      11.63174  
1 1 1 9   60  19 o 17.329  6.6732  115.794    176.754  19.820     404.785  138.406    196.475  21.991  9.4469  18.482  7.0553  3.509209       11.79078  
1 1 1 9   60  20 o 34.770  1.1842  655.478    44.597   556.919    420.626  656.599    44.850   31.152  10.511  34.799  1.1899  -3.647160      10.57781  
1 1 1 9   60  21 o 34.111  5.6047  664.792    199.878  486.378    437.507  711.852    224.698  29.724  10.676  35.161  6.1226  -5.437077      12.30667  
1 1 1 9   60  22 o 37.649  5.3655  806.951    212.605  391.373    449.672  926.594    241.276  27.932  10.671  40.276  5.6892  -12.34431      12.09291  
1 1 1 9   60  23 o 74.314  3.3089  3039.03    266.336  2438.11    571.156  3206.00    301.073  63.399  8.5345  76.198  3.6480  -12.79900      9.281497  
1 1 1 9   60  24 o 29.859  7.1712  550.386    229.009  0.0000     0.0000   550.386    229.009  ?       ?       29.859  7.1712  0.000000       7.171206  
1 1 1 9   60  25 o 16.192  7.1750  -25.0462   249.693  0.0000     0.0000   -25.0462   249.693  ?       ?       16.192  7.1750  0.000000       7.174950  
1 1 1 9   60  26 o 37.963  8.0686  934.229    321.536  0.0000     0.0000   934.229    321.536  ?       ?       37.963  8.0686  0.000000       8.068572  
1 1 1 9   60  27 o 37.024  8.6972  935.080    342.838  0.0000     0.0000   935.080    342.838  ?       ?       37.024  8.6972  0.000000       8.697241  
1 1 1 9   60  28 o 29.297  9.6269  631.605    353.327  0.0000     0.0000   631.605    353.327  ?       ?       29.297  9.6269  0.000000       9.626881  
1 1 1 9   61  0  o 163.841 3.4309  14554.37   608.841  14661.64   861.571  14447.36   860.493  164.349 4.8401  163.142 4.8698  1.207733       6.865969  
1 1 1 9   61  1  o 51.377  2.8979  1435.21    160.600  1321.25    221.391  1561.78    233.325  49.172  4.1971  53.505  4.0564  -4.332748      5.836973  
1 1 1 9   61  2  o 133.376 3.1180  9643.40    450.424  10932.08   649.999  8452.91    624.743  141.949 4.2278  124.797 4.6220  17.15144       6.263905  
1 1 1 9   61  3  o 85.917  2.7088  4000.70    252.072  4066.60    356.033  3934.47    356.937  86.588  3.7963  85.168  3.8694  1.420967       5.420734  
1 1 1 9   61  4  o 93.020  2.6730  4689.67    269.309  4647.61    364.734  4740.08    399.334  92.570  3.6378  93.474  3.9444  -0.9039688     5.365774  
1 1 1 9   61  5  o 185.628 3.6481  18690.99   733.463  18255.94   1039.27  19122.72   1035.29  183.298 5.2348  187.615 5.0947  -4.317490      7.304770  
1 1 1 9   61  6  o 125.749 2.9868  8573.58    406.803  8504.41    577.091  8641.89    573.540  125.164 4.2569  126.176 4.1968  -1.011879      5.977830  
1 1 1 9   61  7  o 78.055  2.7925  3303.27    236.081  2719.47    345.574  3814.16    323.277  70.611  4.5427  83.844  3.5599  -13.23335      5.771345  
1 1 1 9   61  8  o 24.716  5.5231  345.605    144.130  305.348    309.426  356.759    162.878  25.331  8.9906  25.091  6.0613  0.2397137      10.84299  
1 1 1 9   61  9  o 109.765 2.8457  6534.92    338.320  6114.19    704.462  6661.05    385.713  105.691 6.1808  110.795 3.2142  -5.104218      6.966595  
1 1 1 9   61  10 o 121.898 2.8548  8061.55    376.908  9515.41    782.617  7622.52    430.068  132.116 5.4692  118.492 3.3510  13.62427       6.414168  
1 1 1 9   61  11 o 110.808 2.8073  6662.97    336.923  7509.93    709.625  6416.48    382.824  117.286 5.5861  108.701 3.2516  8.585426       6.463559  
1 1 1 9   61  12 o 139.958 3.0259  10637.46   458.691  10600.99   963.614  10648.15   521.573  139.053 6.3981  139.972 3.4404  -0.9190063     7.264444  
1 1 1 9   61  13 o 120.709 2.9401  7914.25    384.388  8217.78    821.252  7829.10    434.974  122.218 6.2246  120.005 3.3465  2.213348       7.067162  
1 1 1 9   61  14 o 89.459  2.8666  4347.72    277.749  3618.50    624.163  4527.78    310.149  80.630  7.2237  91.264  3.1376  -10.63364      7.875690  
1 1 1 9   61  15 o 155.143 3.4547  13103.42   580.507  11917.58   1190.27  13473.53   664.953  146.346 7.5347  157.205 3.9053  -10.85854      8.486686  
1 1 1 9   61  16 o 80.055  2.9392  3485.97    254.855  3771.65    582.842  3418.43    283.382  82.301  6.5938  79.230  3.3023  3.070679       7.374531  
1 1 1 9   61  17 o 87.611  3.6994  4189.33    351.042  3628.14    630.077  4441.93    422.730  80.326  7.3226  90.084  4.3326  -9.757828      8.508349  
1 1 1 9   61  18 o 85.648  3.1434  3998.62    291.603  3482.33    620.389  4145.04    330.373  78.474  7.3860  87.134  3.5006  -8.659752      8.173536  
1 1 1 9   61  19 o 53.967  3.7910  1602.30    220.186  1742.60    484.468  1565.77    247.192  54.708  8.4482  53.219  4.3258  1.488277       9.491323  
1 1 1 9   61  20 o 45.529  1.9963  1126.58    98.443   1353.61    458.159  1115.59    100.798  47.564  9.2263  45.302  2.0543  2.262131       9.452203  
1 1 1 9   61  21 o 16.421  1.6241  147.840    28.507   76.509     412.643  148.182    28.575   22.673  9.6333  16.440  1.6261  6.232311       9.769529  
1 1 1 9   61  22 o 38.311  5.2620  834.998    212.581  712.238    452.631  869.739    240.789  33.756  10.883  38.882  5.9031  -5.126122      12.38103  
1 1 1 9   61  23 o 36.418  5.3561  764.714    204.955  568.552    447.579  816.761    230.547  30.273  10.806  37.438  5.8794  -7.164803      12.30163  
1 1 1 9   61  24 o 22.835  7.8794  307.725    236.607  0.0000     0.0000   307.725    236.607  ?       ?       22.835  7.8794  0.000000       7.879404  
1 1 1 9   61  25 o 61.099  5.4291  2172.92    355.535  0.0000     0.0000   2172.92    355.535  ?       ?       61.099  5.4291  0.000000       5.429053  
1 1 1 9   61  26 o 23.595  8.4682  346.485    275.238  0.0000     0.0000   346.485    275.238  ?       ?       23.595  8.4682  0.000000       8.468164  
1 1 1 9   61  27 o 17.683  7.4944  90.606     248.722  0.0000     0.0000   90.606     248.722  ?       ?       17.683  7.4944  0.000000       7.494442  
1 1 1 9   61  28 o 35.512  8.3088  859.452    313.906  0.0000     0.0000   859.452    313.906  ?       ?       35.512  8.3088  0.000000       8.308766  
1 1 1 9   62  0  o 184.295 3.6379  18419.55   726.159  18777.46   1027.85  18062.89   1026.04  185.950 5.1035  182.368 5.1945  3.581512       7.282035  
1 1 1 9   62  1  o 91.375  2.6834  4525.14    265.571  4140.57    355.587  5010.22    399.361  87.373  3.7575  96.109  3.8365  -8.735489      5.370046  
1 1 1 9   62  2  o 128.262 3.0236  8918.33    420.041  8960.99    593.304  8875.46    594.755  128.504 4.2628  127.887 4.2938  0.6166458      6.050424  
1 1 1 9   62  3  o 86.771  2.7975  4081.21    262.912  3889.74    371.358  4273.63    372.272  84.669  4.0495  88.756  3.8725  -4.087074      5.603087  
1 1 1 9   62  4  o 68.672  2.7008  2556.17    200.882  2354.78    286.886  2749.89    281.373  65.750  4.0482  71.105  3.6660  -5.355026      5.461427  
1 1 1 9   62  5  o 80.185  2.7127  3485.42    235.596  3484.36    334.961  3486.45    331.434  80.133  3.8594  80.158  3.8175  -0.2574158E-01 5.428427  
1 1 1 9   62  6  o 170.011 3.4683  15680.49   638.644  15625.53   903.400  15735.40   902.959  169.562 4.9191  170.159 4.8994  -0.5974426     6.942709  
1 1 1 9   62  7  o 108.113 2.8429  6338.33    332.898  6408.60    478.775  6272.55    463.190  108.635 4.0690  107.482 3.9788  1.152946       5.691031  
1 1 1 9   62  8  o 80.899  3.2091  3551.02    281.183  3201.39    515.838  3698.82    335.392  76.353  6.2937  82.537  3.7518  -6.183556      7.327084  
1 1 1 9   62  9  o 65.827  2.6791  2350.21    191.016  2161.80    427.007  2397.34    213.576  62.596  6.3877  66.473  2.9665  -3.876652      7.042947  
1 1 1 9   62  10 o 75.862  2.6774  3122.08    219.993  2963.44    479.156  3164.46    247.637  73.397  6.0822  76.358  2.9943  -2.960556      6.779254  
1 1 1 9   62  11 o 19.837  4.9040  223.023    104.766  352.918    304.695  205.607    111.569  26.222  8.9452  19.111  5.2354  7.111097       10.36466  
1 1 1 9   62  12 o 43.495  1.8404  1025.63    86.699   1044.29    102.693  979.328    161.769  43.880  2.1608  42.290  3.5649  1.589676       4.168663  
1 1 1 9   62  13 o 83.738  2.8101  3808.30    254.870  4404.07    594.893  3674.36    282.068  89.355  6.1848  82.220  3.1674  7.134819       6.948715  
1 1 1 9   62  14 o 127.357 3.1429  8819.10    433.537  8341.90    900.571  8963.05    494.623  122.788 6.7981  128.320 3.5588  -5.531845      7.673281  
1 1 1 9   62  15 o 102.417 3.0030  5704.39    333.119  6568.25    716.965  5466.57    376.190  109.025 6.0960  100.189 3.4667  8.836174       7.012770  
1 1 1 9   62  16 o 68.032  2.5563  2515.06    188.359  2279.36    520.557  2550.57    202.050  63.464  7.7329  68.494  2.7235  -5.029812      8.198472  
1 1 1 9   62  17 o 86.224  3.5504  4056.52    331.574  3923.02    554.652  4130.77    413.619  83.962  6.1417  86.724  4.4181  -2.761566      7.565746  
1 1 1 9   62  18 o 70.259  2.5516  2685.28    194.171  3021.34    539.933  2635.37    208.092  73.210  6.8904  69.576  2.7614  3.633690       7.423091  
1 1 1 9   62  19 o 44.807  4.2979  1112.92    206.021  1243.33    461.000  1080.37    230.299  45.520  9.6499  43.985  4.9183  1.535091       10.83098  
1 1 1 9   62  20 o 34.425  5.1297  670.576    185.423  580.609    333.420  710.859    223.107  31.175  9.2256  35.184  6.0741  -4.009592      11.04564  
1 1 1 9   62  21 o 83.975  2.8179  3850.39    256.304  3311.57    619.764  3961.55    281.504  75.608  7.6745  85.119  3.0534  -9.510475      8.259608  
1 1 1 9   62  22 o 32.841  1.7701  588.138    62.732   496.378    438.179  590.058    63.385   29.407  10.667  32.893  1.7859  -3.486170      10.81538  
1 1 1 9   62  23 o 22.014  7.2876  281.409    202.341  183.362    429.343  309.403    229.416  23.634  9.9220  23.040  7.7624  0.5937996      12.59767  
1 1 1 9   62  24 o 22.883  8.4517  293.908    276.924  0.0000     0.0000   293.908    276.924  ?       ?       22.883  8.4517  0.000000       8.451706  
1 1 1 9   62  25 o 23.888  8.3114  351.619    263.529  0.0000     0.0000   351.619    263.529  ?       ?       23.888  8.3114  0.000000       8.311438  
1 1 1 9   62  26 o 32.299  8.1448  689.842    284.875  0.0000     0.0000   689.842    284.875  ?       ?       32.299  8.1448  0.000000       8.144819  
1 1 1 9   62  27 o 26.706  8.2718  484.257    263.888  0.0000     0.0000   484.257    263.888  ?       ?       26.706  8.2718  0.000000       8.271752  
1 1 1 9   63  0  o 143.410 3.2905  11151.79   511.106  11059.33   705.740  11253.77   741.189  142.731 4.5652  143.965 4.7534  -1.234604      6.590528  
1 1 1 9   63  1  o 413.772 7.0048  93256.73   3139.25  89827.65   4440.03  96684.38   4439.11  404.819 10.126  420.167 9.7545  -15.34821      14.06034  
1 1 1 9   63  2  o 373.784 6.5802  76064.13   2663.99  74826.06   3768.00  77301.46   3766.91  369.712 9.4097  375.844 9.2535  -6.132080      13.19739  
1 1 1 9   63  3  o 104.105 2.8529  5875.40    321.687  5594.26    456.748  6152.12    453.142  101.524 4.1537  106.479 3.9292  -4.954102      5.717669  
1 1 1 9   63  4  o 101.280 2.7737  5560.85    304.268  5251.92    419.991  5902.09    441.408  98.374  3.9418  104.287 3.9079  -5.913437      5.550569  
1 1 1 9   63  5  o 65.470  2.8745  2324.09    203.834  2073.81    285.972  2582.56    290.615  61.648  4.3100  68.868  3.9122  -7.220215      5.820796  
1 1 1 9   63  6  o 66.475  2.7744  2396.08    199.752  2593.25    293.540  2226.02    272.605  69.000  3.9442  63.909  3.9577  5.090508       5.587456  
1 1 1 9   63  7  o 82.631  2.7701  3702.76    247.915  3486.62    358.987  3899.83    342.782  80.006  4.1570  84.753  3.7342  -4.746727      5.587931  
1 1 1 9   63  8  o 88.881  2.9404  4285.66    283.067  4381.83    438.871  4217.15    370.414  89.651  4.5345  88.110  3.8814  1.540756       5.968803  
1 1 1 9   63  9  o 35.050  3.3683  673.147    126.294  1007.02    320.056  611.573    137.448  42.291  7.2482  33.324  3.8808  8.966862       8.221740  
1 1 1 9   63  10 o 83.193  2.5218  3754.48    227.231  3477.97    392.992  3893.36    278.506  79.790  4.5664  84.686  3.0364  -4.896233      5.483757  
1 1 1 9   63  11 o 80.070  2.7897  3480.16    241.929  4076.83    580.840  3354.92    266.111  86.031  6.2768  78.592  3.1262  7.438782       7.012241  
1 1 1 9   63  12 o 86.401  2.8128  4053.69    263.227  3708.79    607.938  4133.27    292.020  81.809  6.9260  87.221  3.0912  -5.411133      7.584514  
1 1 1 9   63  13 o 164.509 3.4518  14722.15   615.039  14809.01   1260.38  14695.00   704.629  163.810 7.1038  164.241 3.9610  -0.4308777     8.133502  
1 1 1 9   63  14 o 26.662  5.6749  404.739    158.851  661.542    421.614  362.254    171.488  34.033  10.441  25.165  6.3048  8.868443       12.19724  
1 1 1 9   63  15 o 74.278  3.1553  3002.51    253.848  2671.01    560.364  3088.11    284.740  68.861  7.6421  75.288  3.4918  -6.426872      8.402015  
1 1 1 9   63  16 o 116.326 3.5867  7379.79    451.897  7563.09    817.891  7299.24    542.166  116.665 6.4985  115.504 4.3338  1.161758       7.810989  
1 1 1 9   63  17 o 82.667  3.7246  3733.17    333.488  3610.30    608.583  3785.90    398.673  80.110  7.0871  82.981  4.4520  -2.870293      8.369409  
1 1 1 9   63  18 o 35.634  4.8534  711.596    182.443  541.351    440.095  746.925    200.482  31.203  10.747  36.428  5.2314  -5.224657      11.95292  
1 1 1 9   63  19 o 25.549  6.6634  379.876    186.309  267.464    426.097  406.447    207.162  25.987  10.257  26.391  7.0944  -0.4044685     12.47171  
1 1 1 9   63  20 o 47.281  4.2783  1241.04    216.719  1218.60    471.589  1247.05    244.011  44.629  10.003  47.238  4.8375  -2.608135      11.11174  
1 1 1 9   63  21 o 86.895  3.2364  4136.21    304.594  3726.43    635.460  4258.45    347.062  80.298  7.3895  88.037  3.6398  -7.739098      8.237265  
1 1 1 9   63  22 o 20.565  1.6999  231.506    37.523   69.433     427.259  232.766    37.668   22.452  9.6758  20.621  1.7018  1.831186       9.824300  
1 1 1 9   63  23 o 19.276  2.4004  206.431    49.030   0.0000     0.0000   206.431    49.030   ?       ?       19.276  2.4004  0.000000       2.400404  
1 1 1 9   63  24 o 26.980  8.2206  462.775    261.910  0.0000     0.0000   462.775    261.910  ?       ?       26.980  8.2206  0.000000       8.220627  
1 1 1 9   63  25 o 43.189  6.4669  1129.40    293.202  0.0000     0.0000   1129.40    293.202  ?       ?       43.189  6.4669  0.000000       6.466883  
1 1 1 9   63  26 o 15.295  7.0946  -146.9600  280.747  0.0000     0.0000   -146.9600  280.747  ?       ?       15.295  7.0946  0.000000       7.094630  
1 1 1 9   63  27 o 20.525  7.9561  232.962    252.543  0.0000     0.0000   232.962    252.543  ?       ?       20.525  7.9561  0.000000       7.956115  
1 1 1 9   64  0  o 180.981 3.6624  17768.44   717.907  18247.84   1016.25  17290.87   1014.30  183.256 5.1200  178.371 5.2501  4.885315       7.333401  
1 1 1 9   64  1  o 264.456 4.7845  37987.48   1370.43  37135.77   1938.75  38838.02   1937.42  261.065 6.8565  267.019 6.6990  -5.953308      9.585842  
1 1 1 9   64  2  o 115.351 2.9031  7214.02    362.704  7072.21    513.323  7355.41    512.558  114.144 4.1521  116.413 4.0651  -2.268585      5.810768  
1 1 1 9   64  3  o 116.287 2.9979  7332.56    377.593  6327.75    534.267  8335.33    533.727  107.935 4.5701  123.924 3.9764  -15.98885      6.057879  
1 1 1 9   64  4  o 136.595 3.0585  10118.75   452.491  10395.20   641.979  9845.82    637.879  138.354 4.2841  134.640 4.3741  3.713562       6.122628  
1 1 1 9   64  5  o 58.248  2.7905  1839.78    176.052  2008.02    249.846  1673.87    248.112  60.700  3.8197  55.361  4.1684  5.339451       5.653872  
1 1 1 9   64  6  o 52.898  3.0042  1522.71    171.415  1404.38    255.378  1619.74    231.250  50.606  4.7134  54.471  3.9464  -3.865185      6.147350  
1 1 1 9   64  7  o 47.104  3.1258  1209.20    158.566  1172.97    244.364  1235.55    208.399  46.164  4.9653  47.512  4.0895  -1.347847      6.432590  
1 1 1 9   64  8  o 46.398  3.5088  1175.69    175.028  1549.65    352.689  1053.49    201.606  52.898  6.2783  43.806  4.3047  9.091682       7.612357  
1 1 1 9   64  9  o 106.589 2.8163  6165.00    325.131  6701.81    680.908  6006.45    370.041  110.646 5.7011  105.174 3.2484  5.471672       6.561642  
1 1 1 9   64  10 o 128.808 2.9753  9008.09    415.095  10831.16   902.657  8519.18    467.453  140.711 5.9228  125.209 3.4469  15.50247       6.852761  
1 1 1 9   64  11 o 46.931  3.2081  1202.29    162.096  1629.98    466.540  1143.57    172.866  53.685  8.2906  45.728  3.5172  7.957214       9.005805  
1 1 1 9   64  12 o 75.938  2.8683  3132.16    235.915  3017.93    555.712  3157.28    260.560  73.677  7.0498  76.219  3.1563  -2.541153      7.724152  
1 1 1 9   64  13 o 108.605 3.0444  6411.23    358.116  6230.38    759.633  6462.90    406.072  106.132 6.6417  108.986 3.4400  -2.853470      7.479677  
1 1 1 9   64  14 o 91.344  3.0101  4537.26    297.801  4260.31    649.366  4611.02    335.119  87.494  6.9086  92.037  3.3618  -4.543007      7.683084  
1 1 1 9   64  15 o 85.890  3.0428  4013.88    283.065  4072.23    610.078  3997.88    319.542  85.523  6.6381  85.662  3.4440  -0.1391296     7.478396  
1 1 1 9   64  16 o 15.323  6.4444  21.351     181.642  452.501    416.362  -79.9951   201.865  29.499  10.433  14.265  6.3777  15.23419       12.22832  
1 1 1 9   64  17 o 97.755  3.6715  5221.06    388.731  4400.12    697.643  5590.72    468.139  88.304  7.3614  100.997 4.2795  -12.69374      8.514956  
1 1 1 9   64  18 o 62.961  3.4880  2172.96    236.926  2018.56    519.168  2213.57    266.270  59.026  8.3540  63.455  3.8930  -4.429035      9.216583  
1 1 1 9   64  19 o 73.316  2.6810  2929.15    212.894  2192.08    564.808  3051.21    229.848  61.109  8.7862  74.800  2.8371  -13.69102      9.232872  
1 1 1 9   64  20 o 70.653  3.4102  2733.68    260.964  1914.09    556.376  2964.84    295.483  56.514  9.4212  73.410  3.7285  -16.89602      10.13214  
1 1 1 9   64  21 o 42.634  4.7730  1021.97    216.623  906.340    467.565  1053.58    244.440  37.754  10.855  43.097  5.3518  -5.343315      12.10262  
1 1 1 9   64  22 o 58.222  3.8827  1885.92    243.440  1645.71    512.152  1956.04    276.696  51.084  9.6090  59.099  4.3533  -8.014847      10.54916  
1 1 1 9   64  23 o 66.484  4.0703  2479.95    291.686  0.0000     0.0000   2479.95    291.686  ?       ?       66.484  4.0703  0.000000       4.070263  
1 1 1 9   64  24 o 23.753  8.5592  333.879    281.452  0.0000     0.0000   333.879    281.452  ?       ?       23.753  8.5592  0.000000       8.559180  
1 1 1 9   64  25 o 31.760  7.5226  643.838    254.788  0.0000     0.0000   643.838    254.788  ?       ?       31.760  7.5226  0.000000       7.522615  
1 1 1 9   64  26 o 16.169  7.0755  15.864     235.839  0.0000     0.0000   15.864     235.839  ?       ?       16.169  7.0755  0.000000       7.075507  
1 1 1 9   64  27 o 25.959  8.6580  459.525    285.394  0.0000     0.0000   459.525    285.394  ?       ?       25.959  8.6580  0.000000       8.657956  
1 1 1 9   65  0  o 84.232  2.7830  3846.51    253.900  3765.21    359.824  3927.13    358.319  83.288  3.9887  85.065  3.8891  -1.776749      5.570911  
1 1 1 9   65  1  o 352.264 5.9971  67551.55   2288.11  67169.35   3236.42  67933.48   3235.32  350.337 8.5292  352.347 8.4777  -2.009277      12.02575  
1 1 1 9   65  2  o 32.037  3.9687  565.618    134.763  583.100    188.142  547.199    193.122  32.283  5.5828  31.194  5.9327  1.088438       8.146497  
1 1 1 9   65  3  o 276.315 4.9187  41505.93   1472.06  41291.46   2082.69  41720.04   2080.91  275.065 6.9907  276.501 6.9484  -1.436646      9.856488  
1 1 1 9   65  4  o 93.523  2.5951  4742.14    262.877  4934.40    355.513  4510.21    390.469  95.359  3.4421  91.139  3.9556  4.220123       5.243526  
1 1 1 9   65  5  o 355.223 6.1939  68809.73   2383.04  64652.48   3370.78  72963.79   3369.48  342.970 9.0741  364.660 8.5311  -21.69003      12.45468  
1 1 1 9   65  6  o 148.421 3.1613  11953.29   508.191  11647.48   719.556  12257.64   717.830  146.357 4.5392  150.158 4.4137  -3.801163      6.331298  
1 1 1 9   65  7  o 188.387 3.9657  19286.11   809.178  18462.87   1216.98  19938.48   1083.34  183.887 6.1103  191.303 5.2285  -7.416275      8.041936  
1 1 1 9   65  8  f 160.230 3.8609  13954.47   670.037  14499.98   1176.42  13692.55   815.176  162.742 6.6741  158.571 4.7463  4.171280       8.189705  
1 1 1 9   65  9  o 157.473 3.1449  13466.14   536.387  17338.14   1134.67  12351.86   608.694  178.077 5.8829  150.734 3.7284  27.34334       6.964840  
1 1 1 9   65  10 o 223.392 4.1151  27166.35   995.677  26893.83   2019.99  27253.81   1144.35  220.432 8.4606  223.566 4.7259  -3.134003      9.691056  
1 1 1 9   65  11 o 83.290  2.8938  3767.61    261.055  3467.16    610.070  3834.96    288.835  79.003  7.2090  84.006  3.1744  -5.002869      7.876949  
1 1 1 9   65  12 o 45.992  3.6885  1158.66    182.192  1222.95    463.591  1146.92    198.135  45.933  9.6263  45.704  4.0443  0.2285538      10.44136  
1 1 1 9   65  13 o 119.221 3.0561  7727.73    394.632  7224.87    832.127  7873.65    448.245  114.219 6.7564  120.278 3.4408  -6.058235      7.582088  
1 1 1 9   65  14 o 95.890  3.0191  5001.26    313.565  5507.90    675.435  4862.07    354.027  99.723  6.2856  94.482  3.4595  5.241463       7.174725  
1 1 1 9   65  15 o 83.497  2.5202  3788.25    227.918  3527.58    400.053  3913.51    277.326  80.125  4.6295  84.804  3.0193  -4.678841      5.527042  
1 1 1 9   65  16 o 50.417  4.5932  1405.14    248.068  1369.53    482.445  1417.94    289.233  48.235  9.5723  50.461  5.3748  -2.225563      10.97807  
1 1 1 9   65  17 o 61.319  4.2293  2070.94    279.174  1704.36    520.520  2218.97    330.773  53.891  9.2509  63.317  4.8604  -9.426052      10.44999  
1 1 1 9   65  18 o 59.813  3.5534  1963.34    229.168  1627.44    514.100  2046.65    256.011  52.385  9.4067  60.993  3.8956  -8.608749      10.18142  
1 1 1 9   65  19 o 6.1647  2.7586  -16.7521   37.853   526.667    428.327  -21.0297   38.002   30.538  10.598  6.0248  2.7241  24.51363       10.94233  
1 1 1 9   65  20 o 31.426  5.6975  567.822    186.787  421.393    444.331  599.253    205.860  28.577  10.676  32.174  6.1312  -3.597490      12.31107  
1 1 1 9   65  21 o 29.171  6.5645  502.992    202.396  -8.2694    442.408  638.319    227.611  21.987  9.6544  32.927  6.6119  -10.93992      11.70144  
1 1 1 9   65  22 o 31.322  6.4310  585.272    210.867  189.381    449.471  696.997    238.775  24.132  10.143  34.132  6.6981  -10.00032      12.15464  
1 1 1 9   65  23 o 21.027  7.9275  227.916    246.119  0.0000     0.0000   227.916    246.119  ?       ?       21.027  7.9275  0.000000       7.927496  
1 1 1 9   65  24 o 53.736  5.4674  1683.17    313.777  0.0000     0.0000   1683.17    313.777  ?       ?       53.736  5.4674  0.000000       5.467391  
1 1 1 9   65  25 o 21.486  8.1707  255.142    262.880  0.0000     0.0000   255.142    262.880  ?       ?       21.486  8.1707  0.000000       8.170734  
1 1 1 9   65  26 o 29.200  8.3446  576.360    277.096  0.0000     0.0000   576.360    277.096  ?       ?       29.200  8.3446  0.000000       8.344585  
1 1 1 9   65  27 o 17.663  7.6747  56.673     273.253  0.0000     0.0000   56.673     273.253  ?       ?       17.663  7.6747  0.000000       7.674689  
1 1 1 9   66  0  o 42.854  1.4551  994.876    67.540   1027.23    71.775   744.799    199.559  43.544  1.5219  36.651  5.1707  6.893543       5.390031  
1 1 1 9   66  1  o 106.269 2.7899  6123.53    321.122  6026.67    454.611  6219.99    453.661  105.357 3.9839  107.038 3.9131  -1.681198      5.584257  
1 1 1 9   66  2  o 122.487 3.0220  8137.33    400.915  7794.15    570.984  8471.04    563.058  119.774 4.4014  124.888 4.1626  -5.113914      6.058005  
1 1 1 9   66  3  o 62.850  2.7972  2142.14    190.417  2038.07    271.826  2242.41    266.823  61.117  4.1306  64.150  3.8582  -3.032925      5.652240  
1 1 1 9   66  4  o 173.622 3.4519  16360.81   649.140  15871.46   919.655  16846.69   916.400  170.804 4.9711  176.000 4.8073  -5.195297      6.915385  
1 1 1 9   66  5  o 216.686 4.0626  25511.39   953.465  24959.36   1349.39  26061.81   1347.41  213.958 5.8229  218.665 5.6892  -4.707611      8.140851  
1 1 1 9   66  6  o 112.455 2.8719  6860.90    349.792  6542.39    500.095  7165.97    489.438  109.700 4.2090  114.837 3.9350  -5.137001      5.761933  
1 1 1 9   66  7  o 95.132  2.6990  4909.74    278.099  4775.06    403.112  5032.05    384.155  93.723  3.9711  96.237  3.6855  -2.514267      5.417798  
1 1 1 9   66  8  o 78.150  2.8445  3314.68    240.773  2981.62    355.000  3598.39    327.651  73.871  4.4579  81.363  3.7180  -7.492508      5.804859  
1 1 1 9   66  9  o 118.957 2.9552  7683.20    380.756  8062.67    838.442  7584.61    427.366  121.116 6.4143  118.149 3.3396  2.967163       7.231666  
1 1 1 9   66  10 o 245.037 4.9036  32772.70   1301.43  30485.65   2466.36  33655.21   1532.08  233.654 9.7457  247.972 5.7044  -14.31859      11.29243  
1 1 1 9   66  11 o 183.662 3.6954  18356.65   735.106  18820.76   1500.99  18210.21   843.142  184.574 7.5083  182.783 4.2589  1.790878       8.632038  
1 1 1 9   66  12 o 40.793  4.0506  915.788    176.598  341.510    457.775  1016.20    191.415  28.399  10.786  42.973  4.1648  -14.57381      11.56254  
1 1 1 9   66  13 o 98.388  2.8425  5261.41    302.908  4223.23    550.004  5713.40    362.904  87.452  5.8402  102.467 3.2699  -15.01426      6.693317  
1 1 1 9   66  14 o 39.935  4.2901  881.279    182.653  903.886    446.506  876.735    200.168  39.124  10.370  39.743  4.7439  -0.6184883     11.40324  
1 1 1 9   66  15 o 69.722  2.5277  2641.90    190.885  2167.00    536.549  2710.72    204.248  61.628  8.2449  70.610  2.6707  -8.982357      8.666661  
1 1 1 9   66  16 o 98.762  4.5908  5352.84    491.077  4893.30    700.992  5795.72    688.159  93.388  6.9807  102.015 6.2584  -8.626060      9.375387  
1 1 1 9   66  17 o 68.548  2.5756  2556.89    191.223  2575.63    549.847  2554.31    203.955  67.157  7.6983  68.491  2.7494  -1.333366      8.174497  
1 1 1 9   66  18 o 117.920 3.0918  7589.77    394.887  7597.71    777.126  7587.00    458.490  116.474 6.1823  117.736 3.5954  -1.262428      7.151804  
1 1 1 9   66  19 f 126.986 3.2034  8814.84    440.597  8741.20    868.555  8840.36    511.262  124.542 6.4611  126.965 3.7178  -2.423424      7.454393  
1 1 1 9   66  20 o 79.762  2.7340  3473.22    236.189  2928.25    601.675  3572.50    256.803  70.777  7.9885  80.845  2.9328  -10.06821      8.509822  
1 1 1 9   66  21 o 34.622  5.4285  689.590    196.871  336.962    451.547  772.353    218.758  26.711  10.554  36.575  5.7086  -9.863895      11.99909  
1 1 1 9   66  22 o 27.624  6.6404  462.089    196.224  377.362    443.123  482.756    218.851  26.623  10.476  28.060  7.1733  -1.437128      12.69625  
1 1 1 9   66  23 o 28.916  8.5014  535.799    283.945  0.0000     0.0000   535.799    283.945  ?       ?       28.916  8.5014  0.000000       8.501429  
1 1 1 9   66  24 o 25.074  8.2986  396.107    262.378  0.0000     0.0000   396.107    262.378  ?       ?       25.074  8.2986  0.000000       8.298594  
1 1 1 9   66  25 o 20.439  8.3136  186.169    288.726  0.0000     0.0000   186.169    288.726  ?       ?       20.439  8.3136  0.000000       8.313606  
1 1 1 9   66  26 o 19.735  8.0237  177.756    268.775  0.0000     0.0000   177.756    268.775  ?       ?       19.735  8.0237  0.000000       8.023652  
1 1 1 9   67  0  o 326.604 5.7575  58102.37   2036.70  57721.92   2881.30  58482.31   2879.37  324.574 8.1960  326.733 8.1365  -2.158325      11.54889  
1 1 1 9   67  1  o 134.612 3.1028  9829.94    452.380  9548.08    639.575  10112.13   639.950  132.548 4.4550  136.420 4.3311  -3.872070      6.213337  
1 1 1 9   67  2  o 238.844 4.3328  30999.93   1120.87  30478.39   1585.83  31520.57   1584.47  236.403 6.1935  240.440 6.0842  -4.037201      8.682005  
1 1 1 9   67  3  o 240.674 4.3570  31483.91   1135.76  30371.07   1606.96  32594.69   1605.46  235.916 6.2889  244.465 6.0634  -8.549088      8.735847  
1 1 1 9   67  4  f 213.864 4.2961  24863.63   995.140  24311.29   1505.56  25292.16   1326.14  210.936 6.5899  215.394 5.6844  -4.457550      8.702806  
1 1 1 9   67  5  o 59.063  2.7861  1892.45    178.230  1742.37    254.606  2036.67    249.581  56.458  4.1936  61.111  3.7894  -4.653778      5.652035  
1 1 1 9   67  6  o 71.283  2.1430  2754.79    165.451  2925.19    208.097  2461.98    272.787  73.435  2.6164  67.207  3.7626  6.227882       4.582857  
1 1 1 9   67  7  o 13.900  5.1878  79.465     104.876  202.286    177.361  13.432     130.048  20.008  6.8248  13.023  5.4637  6.985418       8.742368  
1 1 1 9   67  8  o 76.446  2.8917  3172.52    239.430  2897.51    364.734  3380.76    317.391  72.773  4.6517  78.854  3.7162  -6.080315      5.953877  
1 1 1 9   67  9  o 183.510 4.3669  18347.33   867.963  20941.31   1782.64  17541.29   993.707  194.450 8.4642  179.232 5.1189  15.21829       9.891672  
1 1 1 9   67  10 o 165.104 3.4103  14821.58   609.856  15939.65   1259.07  14478.86   697.088  170.199 6.8300  163.074 3.9467  7.124741       7.888336  
1 1 1 9   67  11 o 95.442  2.7430  4947.12    283.558  5045.88    675.241  4925.97    312.442  95.539  6.5653  95.208  3.0299  0.3306122      7.230676  
1 1 1 9   67  12 o 160.452 3.4497  14012.02   599.511  13607.64   1232.46  14137.36   686.161  156.785 7.2577  161.047 3.9337  -4.262390      8.255205  
1 1 1 9   67  13 o 81.895  3.0303  3647.80    268.788  3551.66    598.418  3672.10    300.842  79.786  6.9954  82.124  3.3822  -2.338264      7.770140  
1 1 1 9   67  14 o 82.546  3.0223  3707.50    270.211  3300.23    600.578  3810.86    302.565  76.687  7.3195  83.645  3.3397  -6.957581      8.045399  
1 1 1 9   67  15 o 59.720  2.3196  1937.51    150.037  1646.88    497.538  1966.58    157.363  53.289  8.9365  60.158  2.4151  -6.868752      9.257142  
1 1 1 9   67  16 o 46.550  6.6481  1230.06    325.665  1541.64    468.655  939.108    452.872  51.457  8.7203  39.513  10.429  11.94421       13.59466  
1 1 1 9   67  17 o 94.401  2.8688  4855.93    293.325  4754.33    679.762  4879.18    325.155  91.845  6.8834  94.561  3.1747  -2.716522      7.580222  
1 1 1 9   67  18 o 149.256 3.4213  12185.53   553.093  11700.77   1133.39  12337.06   633.667  143.573 7.3127  149.958 3.9014  -6.384827      8.288346  
1 1 1 9   67  19 o 53.318  3.8939  1569.59    223.311  1584.08    502.797  1566.03    249.242  51.356  9.3851  53.126  4.3703  -1.769913      10.35276  
1 1 1 9   67  20 o 57.401  2.3896  1796.11    148.565  1887.47    509.856  1787.63    155.304  56.178  8.6575  57.247  2.5047  -1.069454      9.012534  
1 1 1 9   67  21 o 19.706  1.7454  212.908    36.869   -18.5879   437.129  214.566    37.001   21.495  9.5106  19.784  1.7446  1.711193       9.669303  
1 1 1 9   67  22 o 32.365  1.2655  569.006    44.362   0.0000     0.0000   569.006    44.362   ?       ?       32.365  1.2655  0.000000       1.265497  
1 1 1 9   67  23 o 25.938  7.7700  421.238    235.444  0.0000     0.0000   421.238    235.444  ?       ?       25.938  7.7700  0.000000       7.769997  
1 1 1 9   67  24 o 21.879  8.1413  269.047    257.901  0.0000     0.0000   269.047    257.901  ?       ?       21.879  8.1413  0.000000       8.141259  
1 1 1 9   67  25 o 27.798  8.4439  515.853    276.638  0.0000     0.0000   515.853    276.638  ?       ?       27.798  8.4439  0.000000       8.443863  
1 1 1 9   67  26 o 17.047  7.6400  -22.7971   291.509  0.0000     0.0000   -22.7971   291.509  ?       ?       17.047  7.6400  0.000000       7.639987  
1 1 1 9   68  0  o 162.294 3.3160  14294.56   582.899  14659.09   826.056  13933.04   822.643  164.182 4.6453  160.050 4.7455  4.132080       6.640693  
1 1 1 9   68  1  o 125.149 3.0605  8497.71    414.849  8250.98    587.671  8742.79    585.704  123.197 4.4042  126.831 4.2637  -3.633720      6.129887  
1 1 1 9   68  2  o 100.331 2.9247  5461.01    317.829  5270.87    448.509  5652.81    450.453  98.477  4.2050  101.994 4.0776  -3.516518      5.857375  
1 1 1 9   68  3  f 126.007 2.9683  8614.91    405.116  8599.02    570.799  8631.03    575.065  125.773 4.1901  126.004 4.2137  -0.2312317     5.942410  
1 1 1 9   68  4  o 218.130 4.0611  25864.25   959.461  26203.80   1358.22  25526.04   1355.55  219.154 5.7220  216.283 5.7866  2.870956       8.137954  
1 1 1 9   68  5  o 61.978  2.8017  2084.24    188.077  1666.46    268.189  2488.54    263.828  55.152  4.5296  67.585  3.6173  -12.43277      5.796754  
1 1 1 9   68  6  o 80.071  2.7648  3479.08    239.781  3471.50    347.344  3485.98    331.418  79.792  4.0322  80.077  3.8212  -0.2843246     5.555167  
1 1 1 9   68  7  o 61.940  2.9097  2082.69    195.202  2074.78    304.794  2088.18    254.165  61.542  4.6061  61.852  3.8125  -0.3104477     5.979230  
1 1 1 9   68  8  o 52.291  3.3336  1491.88    187.824  1219.29    288.522  1692.35    247.433  46.859  5.8094  55.603  4.1382  -8.744122      7.132535  
1 1 1 9   68  9  o 218.425 4.8886  26043.85   1156.53  23297.53   2022.60  27377.99   1409.72  204.580 9.1280  223.580 5.8215  -18.99924      10.82634  
1 1 1 9   68  10 o 115.470 3.0565  7245.01    382.267  7382.27    819.443  7206.83    432.173  115.680 6.5673  115.110 3.4664  0.5701370      7.425945  
1 1 1 9   68  11 o 24.727  5.7528  348.711    151.169  70.482     432.408  387.450    161.350  23.722  9.9581  26.066  5.8578  -2.344017      11.55324  
1 1 1 9   68  12 o 37.739  4.4477  788.607    178.310  978.009    452.552  753.800    194.003  40.774  10.257  36.777  4.9999  3.996998       11.41049  
1 1 1 9   68  13 o 74.174  3.1235  2993.69    250.935  3034.01    570.048  2984.00    279.469  73.585  7.2464  74.011  3.4863  -0.4257278     8.041457  
1 1 1 9   68  14 o 38.757  4.3119  831.487    177.934  532.038    449.976  886.989    193.723  31.446  10.865  39.996  4.5530  -8.550184      11.78063  
1 1 1 9   68  15 o 102.008 3.3819  5674.87    373.654  5293.43    721.169  5814.84    436.865  97.232  6.8926  103.137 3.9108  -5.904961      7.924763  
1 1 1 9   68  16 o 64.250  4.1192  2271.03    285.146  2089.32    525.233  2346.97    339.540  60.211  8.2724  65.127  4.8482  -4.915916      9.588425  
1 1 1 9   68  17 o 27.646  6.5380  444.214    192.697  828.982    447.333  356.549    213.523  36.960  10.615  24.900  7.3860  12.05961       12.93169  
1 1 1 9   68  18 f 39.930  4.6517  891.000    197.408  947.011    469.690  878.983    217.557  39.189  10.745  39.503  5.2121  -0.3140831     11.94204  
1 1 1 9   68  19 o 21.818  6.6695  271.724    172.204  302.840    438.133  266.039    187.275  26.509  10.421  21.783  6.9980  4.725405       12.55261  
1 1 1 9   68  20 o 63.540  3.6317  2229.45    248.896  2372.60    537.685  2190.41    280.791  63.307  8.0215  62.794  4.1519  0.5129929      9.032358  
1 1 1 9   68  21 o 42.065  2.3012  969.398    104.447  1453.83    479.732  945.293    107.014  47.745  9.6095  41.518  2.3899  6.226917       9.902250  
1 1 1 9   68  22 o 25.492  8.4011  398.806    269.008  0.0000     0.0000   398.806    269.008  ?       ?       25.492  8.4011  0.000000       8.401137  
1 1 1 9   68  23 f 17.977  7.7094  52.093     268.760  0.0000     0.0000   52.093     268.760  ?       ?       17.977  7.7094  0.000000       7.709447  
1 1 1 9   68  24 o 18.688  7.7581  117.027    258.225  0.0000     0.0000   117.027    258.225  ?       ?       18.688  7.7581  0.000000       7.758122  
1 1 1 9   68  25 o 18.229  7.9185  55.828     290.731  0.0000     0.0000   55.828     290.731  ?       ?       18.229  7.9185  0.000000       7.918488  
1 1 1 9   68  26 o 32.792  8.2560  721.716    293.039  0.0000     0.0000   721.716    293.039  ?       ?       32.792  8.2560  0.000000       8.256006  
1 1 1 9   69  0  o 23.464  1.6744  299.856    42.275   302.384    43.471   255.835    181.419  23.560  1.7154  21.779  6.8763  1.781067       7.087030  
1 1 1 9   69  1  o 112.494 2.9124  6866.02    354.852  6418.39    501.665  7314.27    502.008  108.649 4.2630  116.012 3.9952  -7.363159      5.842487  
1 1 1 9   69  2  o 90.375  2.7685  4430.88    270.996  4253.84    382.472  4609.35    384.025  88.469  3.9915  92.103  3.8496  -3.634186      5.545424  
1 1 1 9   69  3  o 137.040 3.1822  10194.58   472.328  9639.78    686.065  10694.49   651.241  133.063 4.7603  140.223 4.2880  -7.160690      6.406834  
1 1 1 9   69  4  o 145.307 3.2702  11465.08   514.679  11129.24   751.961  11761.07   705.947  142.933 4.8573  147.007 4.4337  -4.073380      6.576523  
1 1 1 9   69  5  o 95.469  2.6246  4944.91    271.386  4913.86    369.075  4981.45    400.435  95.093  3.5834  95.719  3.8625  -0.6253891     5.268713  
1 1 1 9   69  6  o 90.309  2.4674  4424.36    241.347  4612.38    324.355  4191.13    361.249  92.150  3.2498  87.793  3.7991  4.356827       4.999418  
1 1 1 9   69  7  o 99.459  2.8622  5370.41    308.332  5064.06    455.348  5629.81    419.008  96.422  4.3601  101.735 3.8026  -5.313644      5.785359  
1 1 1 9   69  8  o 54.624  3.6550  1630.09    214.992  1623.06    337.979  1634.87    278.631  54.137  5.8574  54.539  4.7647  -0.4017067     7.550621  
1 1 1 9   69  9  o 141.843 3.6171  10945.57   555.698  13003.61   1002.63  10033.06   667.621  153.987 6.0115  135.623 4.5449  18.36403       7.536247  
1 1 1 9   69  10 o 96.844  2.9562  5096.09    310.085  5414.35    689.322  5015.35    347.198  98.997  6.4643  96.029  3.3381  2.968208       7.275276  
1 1 1 9   69  11 o 17.458  1.6089  166.637    30.080   169.312    30.771   109.043    142.777  17.596  1.6331  16.178  6.0501  1.418715       6.266615  
1 1 1 9   69  12 o 86.936  2.4665  4104.52    232.251  4016.55    421.574  4142.85    278.290  85.589  4.5641  87.288  2.9435  -1.699623      5.430998  
1 1 1 9   69  13 o 105.172 3.0753  6019.17    350.318  5080.33    750.570  6280.65    396.110  95.297  7.3279  107.373 3.4060  -12.07623      8.080827  
1 1 1 9   69  14 o 27.283  5.9099  426.446    169.588  243.012    431.112  460.028    184.459  26.037  10.305  28.308  6.1888  -2.270245      12.02038  
1 1 1 9   69  15 o 36.864  1.8334  737.545    73.202   840.888    446.637  734.692    74.205   37.484  10.553  36.743  1.8708  0.7400970      10.71802  
1 1 1 9   69  16 o 35.394  6.3631  717.755    234.963  717.673    445.702  717.787    276.506  34.764  10.747  35.081  7.5041  -0.3172188     13.10770  
1 1 1 9   69  17 o 107.503 3.1630  6310.28    368.288  5597.72    766.337  6524.28    419.965  99.358  7.1692  109.194 3.5509  -9.835907      8.000444  
1 1 1 9   69  18 o 38.945  4.5995  847.930    190.272  792.542    468.684  858.860    208.202  35.979  11.004  39.080  5.0360  -3.100479      12.10148  
1 1 1 9   69  19 o 66.107  3.3745  2401.71    240.812  1914.72    547.726  2518.40    268.115  56.352  9.2984  67.607  3.6753  -11.25548      9.998368  
1 1 1 9   69  20 o 40.569  4.8571  932.082    209.182  910.613    474.812  937.252    233.014  37.347  10.997  40.458  5.4567  -3.110683      12.27657  
1 1 1 9   69  21 o 17.408  7.1348  89.735     214.693  0.0000     0.0000   89.735     214.693  ?       ?       17.408  7.1348  0.000000       7.134847  
1 1 1 9   69  22 o 37.435  7.3713  860.878    288.243  0.0000     0.0000   860.878    288.243  ?       ?       37.435  7.3713  0.000000       7.371325  
1 1 1 9   69  23 o 13.667  6.4915  -260.5770  260.477  0.0000     0.0000   -260.5770  260.477  ?       ?       13.667  6.4915  0.000000       6.491475  
1 1 1 9   69  24 f 31.390  8.6233  656.843    302.190  0.0000     0.0000   656.843    302.190  ?       ?       31.390  8.6233  0.000000       8.623338  
1 1 1 9   69  25 o 23.196  8.4276  334.130    273.671  0.0000     0.0000   334.130    273.671  ?       ?       23.196  8.4276  0.000000       8.427566  
1 1 1 9   70  0  o 89.775  2.8395  4373.03    276.103  4249.49    388.986  4498.48    391.970  88.410  4.0622  90.970  3.9782  -2.560516      5.685729  
1 1 1 9   70  1  o 147.582 3.3048  11826.46   528.256  11753.43   773.148  11890.40   723.460  146.901 4.8592  147.811 4.5189  -0.9102783     6.635725  
1 1 1 9   70  2  o 122.336 3.0016  8123.09    397.717  7719.33    563.083  8525.07    561.834  119.108 4.3648  125.199 4.1432  -6.091225      6.018077  
1 1 1 9   70  3  o 54.744  2.9151  1631.13    172.224  1466.16    243.631  1795.92    243.492  51.720  4.3907  57.337  3.9448  -5.617630      5.902513  
1 1 1 9   70  4  o 164.164 3.4477  14641.77   613.034  14173.01   868.621  15106.96   865.311  161.236 4.9739  166.502 4.7983  -5.266113      6.911087  
1 1 1 9   70  5  o 131.646 2.9153  9408.15    415.686  9762.85    597.977  9076.46    578.255  133.943 4.1219  129.146 4.1340  4.796097       5.837770  
1 1 1 9   70  6  f 228.179 4.1376  28342.62   1022.56  29728.24   1453.26  26983.91   1439.09  233.128 5.7555  222.017 5.9845  11.11060       8.303018  
1 1 1 9   70  7  o 53.625  2.4647  1560.36    143.155  1416.76    164.108  2017.48    292.792  50.988  2.9846  60.676  4.4870  -9.688240      5.389021  
1 1 1 9   70  8  o 120.706 3.1379  7916.94    410.234  7763.14    593.253  8057.88    567.895  119.299 4.5913  121.594 4.3121  -2.294937      6.298693  
1 1 1 9   70  9  o 189.651 4.6023  19631.78   945.373  20186.12   1965.62  19464.97   1078.27  189.621 9.6020  188.611 5.2783  1.010345       10.95714  
1 1 1 9   70  10 o 75.401  2.9965  3090.24    244.719  2478.53    578.227  3223.71    270.101  66.273  8.2328  76.989  3.2391  -10.71551      8.847129  
1 1 1 9   70  11 o 72.480  3.0074  2856.45    236.091  2566.48    563.477  2918.19    260.014  67.500  7.8542  73.231  3.2782  -5.731285      8.510855  
1 1 1 9   70  12 o 107.075 2.9140  6234.56    337.943  6040.21    756.694  6282.98    377.703  104.263 6.7367  107.437 3.2458  -3.173637      7.477877  
1 1 1 9   70  13 f 146.149 3.3911  11639.34   536.786  12195.19   1190.35  11497.46   601.407  147.678 7.4662  145.133 3.8259  2.545517       8.389374  
1 1 1 9   70  14 o 107.440 3.0549  6286.58    355.495  6710.68    760.370  6167.95    402.153  109.785 6.4225  106.331 3.4919  3.454819       7.310425  
1 1 1 9   70  15 o 61.096  4.0951  2053.37    269.418  2279.47    520.573  1970.66    314.866  63.179  7.7713  59.642  4.9181  3.537193       9.196718  
1 1 1 9   70  16 o 20.033  7.4998  177.430    219.508  486.835    421.793  62.509     257.061  29.917  10.509  18.615  7.7353  11.30269       13.04897  
1 1 1 9   70  17 o 21.198  7.0394  243.692    188.736  63.019     431.056  286.544    209.928  23.071  9.8253  22.755  7.4178  0.3167877      12.31093  
1 1 1 9   70  18 o 51.082  2.2687  1420.07    125.517  1123.28    499.847  1440.04    129.672  42.433  10.837  51.433  2.3277  -8.999454      11.08440  
1 1 1 9   70  19 o 64.962  3.5201  2324.96    246.751  2501.93    554.534  2281.27    275.532  65.186  8.0236  64.195  3.9825  0.9916534      8.957532  
1 1 1 9   70  20 o 31.911  5.6684  593.047    188.741  564.230    463.236  598.782    206.674  30.412  10.977  31.862  6.2120  -1.450235      12.61321  
1 1 1 9   70  21 o 18.585  7.1441  156.866    202.319  0.0000     0.0000   156.866    202.319  ?       ?       18.585  7.1441  0.000000       7.144084  
1 1 1 9   70  22 o 40.793  5.8960  979.646    252.946  0.0000     0.0000   979.646    252.946  ?       ?       40.793  5.8960  0.000000       5.896025  
1 1 1 9   70  23 o 42.765  6.3581  1098.73    285.537  0.0000     0.0000   1098.73    285.537  ?       ?       42.765  6.3581  0.000000       6.358109  
1 1 1 9   70  24 o 50.113  6.3005  1515.37    334.413  0.0000     0.0000   1515.37    334.413  ?       ?       50.113  6.3005  0.000000       6.300467  
1 1 1 9   70  25 o 17.809  7.6354  70.048     263.492  0.0000     0.0000   70.048     263.492  ?       ?       17.809  7.6354  0.000000       7.635403  
1 1 1 9   71  0  o 103.325 2.8610  5793.94    320.181  4921.97    450.311  6685.48    455.339  95.099  4.3719  110.902 3.7908  -15.80274      5.786444  
1 1 1 9   71  1  o 129.332 3.0523  9080.58    427.572  8292.89    604.513  9869.13    604.843  123.415 4.5224  134.692 4.1460  -11.27638      6.135252  
1 1 1 9   71  2  o 69.646  2.8137  2632.43    212.245  2203.96    301.660  3052.48    298.683  63.477  4.4151  74.941  3.6798  -11.46375      5.747541  
1 1 1 9   71  3  o 46.471  2.0587  1170.89    103.620  1098.23    117.491  1425.23    219.826  44.931  2.4233  51.031  4.0094  -6.100601      4.684841  
1 1 1 9   71  4  o 65.490  2.2307  2326.01    158.228  2400.51    195.677  2185.27    268.942  66.507  2.7165  63.259  3.9449  3.247604       4.789692  
1 1 1 9   71  5  o 119.109 2.9894  7703.87    385.652  7691.04    549.341  7716.35    541.530  118.842 4.2678  119.048 4.1998  -0.2057724     5.987697  
1 1 1 9   71  6  f 32.194  5.0687  579.323    170.900  410.876    261.902  704.234    225.532  27.138  8.2098  35.363  6.1091  -8.225483      10.23339  
1 1 1 9   71  7  o 63.075  3.3572  2168.83    228.531  2008.90    336.230  2306.15    311.560  60.415  5.1887  64.888  4.4601  -4.473232      6.842154  
1 1 1 9   71  8  o 69.444  2.6253  2618.18    197.460  2530.31    246.314  2776.20    330.321  68.217  3.3337  71.232  4.3017  -3.015015      5.442237  
1 1 1 9   71  9  o 70.078  3.7800  2682.25    285.849  1645.19    562.947  3042.52    331.807  53.253  10.130  74.592  4.1230  -21.33901      10.93722  
1 1 1 9   71  10 o 33.794  4.5635  635.037    162.764  777.966    456.257  614.196    174.227  36.606  10.781  33.137  5.0107  3.468296       11.88815  
1 1 1 9   71  11 o 112.315 3.0448  6860.98    370.392  6854.46    797.729  6862.77    418.204  111.176 6.6554  112.263 3.4394  -1.087158      7.491601  
1 1 1 9   71  12 o 75.314  3.0676  3086.53    250.238  2734.25    576.695  3168.24    277.748  69.599  7.7835  76.268  3.3623  -6.669037      8.478639  
1 1 1 9   71  13 o 28.232  5.4963  453.499    162.022  278.561    445.046  480.227    173.960  26.873  10.521  29.023  5.7373  -2.149677      11.98397  
1 1 1 9   71  14 o 49.351  3.7859  1338.66    200.822  1545.52    485.511  1295.96    220.575  51.446  9.0432  48.461  4.2452  2.985466       9.990099  
1 1 1 9   71  15 o 63.575  4.0102  2222.21    274.718  2046.40    529.279  2287.03    321.402  59.487  8.4524  64.337  4.6435  -4.849766      9.643958  
1 1 1 9   71  16 o 41.588  5.6083  975.986    246.177  853.014    466.701  1023.39    289.767  37.424  10.870  42.314  6.5330  -4.889610      12.68187  
1 1 1 9   71  17 o 120.447 3.6748  7948.58    479.403  0.0000     0.0000   7948.58    479.403  ?       ?       120.447 3.6748  0.000000       3.674804  
1 1 1 9   71  18 o 36.600  2.4902  733.384    98.130   773.135    487.163  731.703    100.183  35.349  11.280  36.549  2.5467  -1.200031      11.56348  
1 1 1 9   71  19 o 18.041  6.8826  140.602    186.899  668.577    447.837  29.250     205.665  32.721  10.842  16.100  6.8188  16.62074       12.80832  
1 1 1 9   71  20 o 58.750  3.7539  1919.98    237.626  2294.46    530.797  1826.11    265.743  61.422  8.1823  57.040  4.3338  4.381546       9.259167  
1 1 1 9   71  21 o 19.239  7.2915  178.086    208.901  0.0000     0.0000   178.086    208.901  ?       ?       19.239  7.2915  0.000000       7.291525  
1 1 1 9   71  22 o 59.058  5.3353  2014.38    337.594  0.0000     0.0000   2014.38    337.594  ?       ?       59.058  5.3353  0.000000       5.335311  
1 1 1 9   71  23 o 17.193  7.3342  54.917     240.923  0.0000     0.0000   54.917     240.923  ?       ?       17.193  7.3342  0.000000       7.334192  
1 1 1 9   71  24 o 22.529  8.2306  303.665    261.551  0.0000     0.0000   303.665    261.551  ?       ?       22.529  8.2306  0.000000       8.230647  
1 1 1 9   71  25 o 27.083  8.1291  485.970    257.521  0.0000     0.0000   485.970    257.521  ?       ?       27.083  8.1291  0.000000       8.129096  
1 1 1 9   72  0  o 145.254 3.2159  11458.91   505.938  11606.44   716.423  11312.13   714.588  145.980 4.5311  144.109 4.5782  1.871246       6.441340  
1 1 1 9   72  1  o 29.943  4.1613  497.157    131.311  528.596    189.812  468.301    181.848  30.580  5.9449  28.732  6.0355  1.848171       8.471691  
1 1 1 9   72  2  f 84.258  2.7273  3852.98    248.894  3624.05    351.706  4082.66    352.274  81.618  3.9785  86.650  3.7535  -5.032158      5.469700  
1 1 1 9   72  3  o 42.427  3.2761  983.704    149.380  1064.77    218.324  912.345    204.831  43.958  4.6564  40.639  4.7427  3.319355       6.646508  
1 1 1 9   72  4  o 41.221  3.2134  928.672    142.335  786.680    208.791  1051.95    194.548  37.596  5.2724  43.763  4.1541  -6.167419      6.712328  
1 1 1 9   72  5  o 202.906 3.9489  22407.53   867.851  22726.89   1229.29  22090.21   1225.37  203.848 5.5677  200.950 5.6300  2.897812       7.918138  
1 1 1 9   72  6  o 138.725 3.1692  10457.12   476.180  10667.18   677.542  10252.09   669.373  139.878 4.4722  137.122 4.5070  2.755692       6.349288  
1 1 1 9   72  7  o 110.374 3.0838  6619.94    368.654  6296.09    528.485  6926.89    514.506  107.426 4.5421  112.737 4.2136  -5.310982      6.195554  
1 1 1 9   72  8  o 119.312 3.1228  7738.37    403.554  7825.15    586.892  7660.55    555.799  119.731 4.5257  118.504 4.3303  1.226440       6.263605  
1 1 1 9   72  9  o 44.083  4.7819  1074.67    224.660  1072.23    476.199  1075.37    254.798  42.719  10.392  43.959  5.4698  -1.240540      11.74321  
1 1 1 9   72  10 o 89.483  2.9567  4353.31    286.556  4299.83    650.955  4366.17    319.141  87.920  6.8910  89.573  3.2895  -1.652916      7.635923  
1 1 1 9   72  11 o 234.649 4.2988  30087.25   1092.53  29733.75   2210.18  30201.55   1256.82  229.935 8.8747  234.756 4.9429  -4.821732      10.15838  
1 1 1 9   72  12 o 74.524  3.1421  3023.76    253.618  2763.24    580.074  3085.33    282.000  69.903  7.7943  75.236  3.4606  -5.333733      8.528020  
1 1 1 9   72  13 o 48.695  3.6664  1301.66    191.953  1134.70    488.337  1332.17    208.757  43.548  10.480  49.213  3.9497  -5.665215      11.19971  
1 1 1 9   72  14 o 66.128  3.3318  2391.60    237.865  2015.41    542.197  2481.26    264.697  58.976  8.7538  67.295  3.6452  -8.318802      9.482434  
1 1 1 9   72  15 o 93.010  4.6497  4760.57    468.407  4617.34    674.850  4893.72    650.668  90.487  6.9386  93.407  6.4713  -2.920723      9.488019  
1 1 1 9   72  16 o 60.288  2.7325  1980.36    178.426  1924.40    212.008  2116.23    330.355  59.255  3.3167  61.698  4.9862  -2.443333      5.988544  
1 1 1 9   72  17 o 67.683  3.4978  2515.32    255.539  2149.08    553.068  2614.73    288.139  60.435  8.7001  68.904  3.8766  -8.469715      9.524681  
1 1 1 9   72  18 o 8.1117  2.9505  29.428     33.557   62.500     446.464  29.241     33.652   23.099  9.9220  8.1054  2.9537  14.99319       10.35227  
1 1 1 9   72  19 o 14.417  6.3291  -28.2498   190.041  -158.9418  445.281  0.8573     210.140  20.265  9.2264  15.675  6.7705  4.589881       11.44404  
1 1 1 9   72  20 o 25.657  7.3825  401.676    216.192  0.0000     0.0000   401.676    216.192  ?       ?       25.657  7.3825  0.000000       7.382475  
1 1 1 9   72  21 o 57.830  5.1191  1914.12    317.327  0.0000     0.0000   1914.12    317.327  ?       ?       57.830  5.1191  0.000000       5.119107  
1 1 1 9   72  22 o 33.284  7.3784  690.215    259.009  0.0000     0.0000   690.215    259.009  ?       ?       33.284  7.3784  0.000000       7.378406  
1 1 1 9   72  23 o 41.469  6.0708  1029.63    264.591  0.0000     0.0000   1029.63    264.591  ?       ?       41.469  6.0708  0.000000       6.070758  
1 1 1 9   72  24 o 25.694  8.3585  432.109    266.602  0.0000     0.0000   432.109    266.602  ?       ?       25.694  8.3585  0.000000       8.358464  
1 1 1 9   73  0  o 118.497 2.9392  7623.73    377.229  6990.44    531.777  8265.22    535.205  113.298 4.3335  123.246 4.0094  -9.947449      5.903738  
1 1 1 9   73  1  o 43.011  3.2123  1010.52    148.569  797.687    208.539  1229.89    211.714  37.877  5.2221  47.351  4.1707  -9.474224      6.683172  
1 1 1 9   73  2  o 84.799  2.4552  3901.40    225.504  3869.52    297.115  3944.71    346.335  84.393  3.2505  85.163  3.7547  -0.7702026     4.966212  
1 1 1 9   73  3  o 109.323 2.8850  6489.28    341.606  6537.36    489.315  6443.56    477.122  109.579 4.1228  108.801 4.0488  0.7787552      5.778422  
1 1 1 9   73  4  f 139.933 3.2993  10641.56   500.043  10337.41   727.428  10914.04   688.511  137.632 4.8798  141.501 4.4924  -3.868942      6.632793  
1 1 1 9   73  5  o 148.034 3.3942  11913.91   544.215  11874.07   795.089  11949.04   746.481  147.456 4.9783  147.998 4.6569  -0.5418549     6.816890  
1 1 1 9   73  6  o 84.972  3.0610  3923.31    281.717  3937.46    404.905  3910.04    392.214  84.858  4.4207  84.585  4.2953  0.2738647      6.163767  
1 1 1 9   73  7  o 40.949  4.4829  925.773    195.579  756.318    299.579  1051.64    258.193  36.276  7.8525  43.457  5.6169  -7.181362      9.654602  
1 1 1 9   73  8  o 83.797  3.1406  3818.29    285.047  3554.85    425.841  4032.15    383.682  80.474  4.9091  85.986  4.1198  -5.512222      6.408762  
1 1 1 9   73  9  f 57.024  2.6678  1766.49    164.770  1640.12    198.495  2046.54    295.488  54.795  3.3608  61.042  4.5011  -6.246559      5.617325  
1 1 1 9   73  10 o 69.615  3.1170  2636.56    235.024  2344.03    565.866  2697.54    258.362  64.264  8.3253  70.386  3.3890  -6.121674      8.988688  
1 1 1 9   73  11 o 60.655  3.3260  2009.77    217.670  2997.99    532.180  1811.23    238.536  73.243  6.7855  57.484  3.8535  15.75896       7.803352  
1 1 1 9   73  12 o 91.985  3.0387  4606.28    302.740  3992.04    671.330  4763.07    339.186  84.245  7.4336  93.484  3.3499  -9.239586      8.153529  
1 1 1 9   73  13 o 87.893  2.9570  4206.86    281.501  4191.87    648.179  4210.35    312.511  86.395  6.9866  87.873  3.2835  -1.478157      7.719756  
1 1 1 9   73  14 o 106.217 3.5714  6164.25    410.871  5784.63    757.787  6322.32    488.986  101.447 6.9383  107.387 4.2041  -5.940834      8.112623  
1 1 1 9   73  15 o 43.059  2.5709  1012.77    119.353  1650.67    483.407  971.358    123.166  53.095  8.7080  42.145  2.7126  10.94967       9.120672  
1 1 1 9   73  16 o 70.588  3.3122  2723.26    253.229  2301.73    559.547  2831.83    283.974  62.887  8.4269  71.818  3.6629  -8.930809      9.188539  
1 1 1 9   73  17 o 32.874  5.8964  621.861    202.236  489.058    458.491  653.940    225.341  29.962  10.905  33.565  6.4326  -3.602709      12.66066  
1 1 1 9   73  18 o 56.825  2.5909  1763.17    159.466  1845.89    524.734  1754.76    167.382  55.124  9.1067  56.664  2.7273  -1.539917      9.506349  
1 1 1 9   73  19 o 49.699  2.1518  1347.26    115.831  1854.60    508.145  1319.46    118.963  54.817  8.8609  49.170  2.2338  5.647236       9.138152  
1 1 1 9   73  20 o 25.652  7.5185  402.487    222.390  0.0000     0.0000   402.487    222.390  ?       ?       25.652  7.5185  0.000000       7.518506  
1 1 1 9   73  21 o 55.713  5.2158  1784.11    311.072  0.0000     0.0000   1784.11    311.072  ?       ?       55.713  5.2158  0.000000       5.215805  
1 1 1 9   73  22 o 18.516  7.6176  116.277    245.881  0.0000     0.0000   116.277    245.881  ?       ?       18.516  7.6176  0.000000       7.617558  
1 1 1 9   73  23 o 45.361  6.6842  1254.83    318.556  0.0000     0.0000   1254.83    318.556  ?       ?       45.361  6.6842  0.000000       6.684160  
1 1 1 9   73  24 o 24.609  7.9882  389.072    243.552  0.0000     0.0000   389.072    243.552  ?       ?       24.609  7.9882  0.000000       7.988153  
1 1 1 9   74  0  o 15.846  5.4970  123.334    115.232  155.488    158.903  87.669     167.351  18.118  6.4415  16.439  6.4475  1.678482       9.113925  
1 1 1 9   74  1  o 96.016  2.7866  5004.84    289.796  5140.40    413.258  4873.67    406.493  97.191  3.9258  94.631  3.9660  2.559898       5.580364  
1 1 1 9   74  2  o 44.945  3.5235  1104.99    170.150  1006.03    253.920  1185.64    229.227  42.522  5.6535  46.406  4.6221  -3.884724      7.302451  
1 1 1 9   74  3  o 50.530  3.3399  1393.85    181.762  1162.68    261.533  1609.81    252.789  45.812  5.3728  54.181  4.3441  -8.369164      6.909314  
1 1 1 9   74  4  o 34.452  4.3786  657.221    159.695  412.992    231.576  878.677    220.515  26.977  7.6005  39.757  5.2493  -12.78039      9.237016  
1 1 1 9   74  5  o 14.382  5.8962  38.859     146.680  191.532    219.647  -84.0306   197.061  20.616  7.5409  14.062  6.2932  6.553499       9.821906  
1 1 1 9   74  6  o 87.731  2.8473  4181.14    270.552  3651.76    358.584  4880.80    412.237  81.859  4.0444  94.641  4.0216  -12.78133      5.703542  
1 1 1 9   74  7  o 109.725 3.0597  6545.04    363.632  6631.72    524.505  6464.82    504.581  110.226 4.3933  108.852 4.2798  1.374100       6.133348  
1 1 1 9   74  8  o 112.348 3.0264  6862.39    368.267  6115.25    519.008  7619.99    522.627  105.799 4.5292  118.197 4.0824  -12.39839      6.097513  
1 1 1 9   74  9  o 92.289  3.5667  4639.60    356.523  4541.86    672.130  4677.87    420.566  90.341  6.9218  92.566  4.1948  -2.225449      8.093647  
1 1 1 9   74  10 o 118.338 3.0374  7618.84    389.315  8528.62    838.387  7368.73    439.583  124.134 6.2558  116.294 3.4899  7.840210       7.163416  
1 1 1 9   74  11 o 167.566 3.4753  15306.64   630.743  15590.31   1298.84  15219.09   721.533  167.333 7.1665  166.912 3.9912  0.4207306      8.202903  
1 1 1 9   74  12 o 113.630 3.1112  7033.40    382.909  6355.77    819.938  7222.40    433.029  106.479 7.1512  115.063 3.4746  -8.585037      7.950604  
1 1 1 9   74  13 o 8.2137  2.9607  30.637     33.680   444.797    443.715  28.237     33.778   29.554  10.732  8.0631  2.9560  21.49113       11.13164  
1 1 1 9   74  14 o 29.652  6.5516  509.221    204.802  391.250    458.615  538.607    228.893  28.693  10.821  30.402  7.0827  -1.709332      12.93254  
1 1 1 9   74  15 o 46.184  2.3718  1163.29    118.240  1456.10    488.691  1145.08    121.861  49.438  9.4713  45.807  2.4653  3.631336       9.786865  
1 1 1 9   74  16 o 61.801  3.5914  2099.18    239.359  1641.81    529.839  2216.46    268.298  52.229  9.7241  63.420  3.9252  -11.19157      10.48640  
1 1 1 9   74  17 o 22.901  7.1066  300.718    194.677  488.533    446.900  256.730    216.276  29.702  10.773  21.864  7.5339  7.838207       13.14579  
1 1 1 9   74  18 o 32.097  6.1951  603.877    207.566  741.224    463.478  569.419    232.148  34.054  11.016  30.838  7.0976  3.215969       13.10475  
1 1 1 9   74  19 o 49.285  2.2284  1326.24    118.952  1597.69    505.716  1310.34    122.385  50.029  9.6828  48.974  2.3073  1.055264       9.953934  
1 1 1 9   74  20 o 18.353  7.4856  110.335    234.879  0.0000     0.0000   110.335    234.879  ?       ?       18.353  7.4856  0.000000       7.485620  
1 1 1 9   74  21 o 21.812  8.0630  258.501    252.142  0.0000     0.0000   258.501    252.142  ?       ?       21.812  8.0630  0.000000       8.062992  
1 1 1 9   74  22 o 22.020  7.7174  285.385    227.400  0.0000     0.0000   285.385    227.400  ?       ?       22.020  7.7174  0.000000       7.717359  
1 1 1 9   74  23 o 44.446  6.5546  1203.51    306.064  0.0000     0.0000   1203.51    306.064  ?       ?       44.446  6.5546  0.000000       6.554580  
1 1 1 9   74  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   75  0  o 56.457  3.0178  1736.28    183.866  1599.82    253.289  1888.28    267.331  54.008  4.3674  58.725  4.2313  -4.717068      6.080967  
1 1 1 9   75  1  o 77.837  2.6190  3288.60    220.794  3343.52    276.836  3192.60    366.016  78.435  3.2587  76.401  4.4423  2.033806       5.509399  
1 1 1 9   75  2  o 51.047  3.3419  1422.58    183.753  1488.38    259.485  1356.39    260.248  52.029  4.6538  49.605  4.9082  2.423561       6.763791  
1 1 1 9   75  3  o 43.228  3.6401  1023.81    168.843  879.839    244.577  1154.90    233.377  39.653  5.8722  45.752  4.7801  -6.099144      7.571756  
1 1 1 9   75  4  o 67.727  2.5930  2490.22    190.208  2175.63    237.818  3048.73    316.877  63.146  3.4907  74.717  3.9295  -11.57067      5.256037  
1 1 1 9   75  5  o 139.566 3.2596  10592.28   492.730  10361.51   700.456  10818.34   693.252  137.733 4.6954  140.774 4.5467  -3.040787      6.536003  
1 1 1 9   75  6  o 170.247 3.5196  15775.28   648.998  15687.41   917.955  15863.11   917.688  169.339 5.0049  170.295 4.9754  -0.9557800     7.057127  
1 1 1 9   75  7  o 79.699  2.6529  3450.17    229.003  3344.94    293.811  3613.05    365.530  78.392  3.4604  81.277  4.1663  -2.884712      5.415919  
1 1 1 9   75  8  o 16.996  6.5843  103.633    172.880  -213.6282  290.346  277.895    215.183  15.852  7.3040  22.813  7.5136  -6.961004      10.47867  
1 1 1 9   75  9  o 19.993  6.7787  206.510    174.964  190.980    295.008  214.936    217.308  22.306  8.6124  21.099  7.5295  1.207735       11.43968  
1 1 1 9   75  10 o 19.363  7.0710  171.708    193.016  639.072    446.661  64.394     214.031  33.536  10.811  17.409  7.1282  16.12751       12.94947  
1 1 1 9   75  11 o 108.219 2.9997  6375.52    351.602  7542.04    768.851  6067.05    395.366  116.605 6.1090  105.478 3.4607  11.12656       7.021119  
1 1 1 9   75  12 f 145.528 3.3106  11548.77   521.829  11259.66   1086.53  11635.45   594.934  141.967 7.0662  145.926 3.7641  -3.959381      8.006251  
1 1 1 9   75  13 o 36.159  4.8025  731.382    183.431  768.235    468.823  724.720    199.320  35.907  11.009  35.872  5.2887  0.3433228E-01  12.21389  
1 1 1 9   75  14 o 46.253  2.1101  1162.50    105.708  1185.70    115.765  1046.07    259.291  46.699  2.2888  43.076  5.6974  3.622772       6.139901  
1 1 1 9   75  15 o 37.663  2.3004  774.413    93.393   953.973    474.238  767.169    95.259   39.423  10.791  37.479  2.3587  1.944122       11.04624  
1 1 1 9   75  16 o 72.149  3.3182  2849.03    259.305  2761.17    579.072  2871.06    290.006  68.996  7.8908  72.239  3.7191  -3.243240      8.723328  
1 1 1 9   75  17 o 126.038 3.2148  8708.90    438.854  6904.49    883.116  9300.61    505.717  109.088 7.5203  130.054 3.5902  -20.96635      8.333274  
1 1 1 9   75  18 o 66.034  2.5604  2384.48    183.126  2474.11    242.927  2266.50    278.702  67.034  3.3459  63.797  4.0544  3.237099       5.256706  
1 1 1 9   75  19 o 9.5756  2.6979  51.623     29.178   0.0000     0.0000   51.623     29.178   ?       ?       9.5756  2.6979  0.000000       2.697874  
1 1 1 9   75  20 o 38.617  7.2499  907.897    292.100  0.0000     0.0000   907.897    292.100  ?       ?       38.617  7.2499  0.000000       7.249913  
1 1 1 9   75  21 o 36.587  6.4785  806.138    247.329  0.0000     0.0000   806.138    247.329  ?       ?       36.587  6.4785  0.000000       6.478484  
1 1 1 9   75  22 o 17.935  7.1510  132.915    209.039  0.0000     0.0000   132.915    209.039  ?       ?       17.935  7.1510  0.000000       7.150999  
1 1 1 9   75  23 o 23.225  8.3180  328.516    265.432  0.0000     0.0000   328.516    265.432  ?       ?       23.225  8.3180  0.000000       8.318014  
1 1 1 9   76  0  o 65.691  3.1308  2345.12    222.761  2219.90    317.047  2467.20    313.053  63.618  4.6331  67.137  4.3282  -3.519279      6.340227  
1 1 1 9   76  1  o 47.615  3.6075  1240.52    184.666  1266.81    264.887  1215.67    257.581  47.861  5.1932  46.881  5.1582  0.9802322      7.319551  
1 1 1 9   76  2  o 74.099  2.9608  2983.11    237.623  2835.64    335.201  3132.09    336.904  71.987  4.3191  75.702  4.1245  -3.714928      5.972090  
1 1 1 9   76  3  o 149.993 3.3095  12234.62   537.650  11813.04   759.079  12659.05   761.633  147.059 4.7657  152.274 4.6180  -5.214752      6.636055  
1 1 1 9   76  4  o 252.861 4.6840  34924.91   1282.83  33990.57   1815.75  35856.05   1812.65  248.314 6.7513  255.163 6.5588  -6.849289      9.412626  
1 1 1 9   76  5  o 64.988  3.1891  2296.65    224.474  2110.70    320.514  2475.66    314.479  61.958  4.8140  67.218  4.3427  -5.260803      6.483353  
1 1 1 9   76  6  o 112.300 3.0226  6856.13    367.645  6523.19    517.784  7194.64    522.099  109.310 4.3734  114.834 4.1977  -5.524284      6.061976  
1 1 1 9   76  7  o 85.941  3.1124  4017.20    289.710  3788.85    423.813  4217.49    396.929  83.098  4.7284  87.907  4.1689  -4.808945      6.303747  
1 1 1 9   76  8  o 180.263 3.7208  17714.33   726.458  16730.41   1031.19  18683.81   1023.59  174.526 5.4551  184.588 5.1198  -10.06204      7.481361  
1 1 1 9   76  9  o 82.020  2.7261  3657.16    242.174  3600.47    316.377  3737.38    376.348  81.267  3.5943  82.589  4.2213  -1.322189      5.544264  
1 1 1 9   76  10 o 83.440  3.6816  3799.05    332.720  3374.82    634.960  3959.62    390.646  77.329  7.6828  85.080  4.2392  -7.750923      8.774748  
1 1 1 9   76  11 o 134.229 3.1257  9815.45    454.421  9713.77    965.325  9844.40    515.059  131.933 6.7783  134.314 3.5405  -2.380524      7.647227  
1 1 1 9   76  12 f 125.563 3.1131  8593.06    423.370  9246.75    867.519  8388.71    485.054  129.029 6.2076  123.923 3.6138  5.106133       7.182861  
1 1 1 9   76  13 f 42.571  4.8924  1010.99    221.487  1393.01    485.433  910.553    248.906  48.400  9.5991  40.101  5.9077  8.298172       11.27137  
1 1 1 9   76  14 f 30.398  6.5132  535.284    207.992  704.485    462.248  492.331    232.900  34.449  10.987  28.995  7.3933  5.453461       13.24281  
1 1 1 9   76  15 o 44.589  2.1314  1081.06    102.937  1069.47    487.802  1081.60    105.308  41.586  10.751  44.596  2.1802  -3.009789      10.96979  
1 1 1 9   76  16 o 99.234  2.9254  5380.83    314.425  4644.93    554.601  5729.40    381.695  90.935  5.6589  102.220 3.4475  -11.28468      6.626404  
1 1 1 9   76  17 o 69.810  3.4713  2681.03    262.474  3021.46    580.604  2593.58    294.259  71.721  7.5894  68.383  3.9903  3.338570       8.574481  
1 1 1 9   76  18 o 23.574  7.2392  330.593    202.613  179.721    456.655  367.574    226.085  24.223  10.204  24.751  7.6548  -0.5281200     12.75627  
1 1 1 9   76  19 o 47.099  6.1196  1296.05    304.807  0.0000     0.0000   1296.05    304.807  ?       ?       47.099  6.1196  0.000000       6.119613  
1 1 1 9   76  20 o 31.466  8.2367  627.702    284.000  0.0000     0.0000   627.702    284.000  ?       ?       31.466  8.2367  0.000000       8.236732  
1 1 1 9   76  21 f 28.648  8.6367  531.665    290.219  0.0000     0.0000   531.665    290.219  ?       ?       28.648  8.6367  0.000000       8.636735  
1 1 1 9   76  22 o 20.413  8.0358  200.628    260.867  0.0000     0.0000   200.628    260.867  ?       ?       20.413  8.0358  0.000000       8.035777  
1 1 1 9   76  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   77  0  o 89.449  3.4690  4352.90    336.085  3659.14    592.068  4682.73    408.231  81.221  6.7926  92.698  4.0660  -11.47640      7.916577  
1 1 1 9   77  1  o 27.759  5.1136  434.504    148.081  466.484    206.052  400.345    212.956  28.540  6.7684  26.494  7.2228  2.045187       9.898487  
1 1 1 9   77  2  o 52.345  3.4645  1497.21    195.308  1538.61    274.475  1454.74    277.972  52.844  4.8496  51.331  5.0659  1.513279       7.012978  
1 1 1 9   77  3  f 65.182  3.0832  2309.60    217.672  2084.81    300.570  2557.52    315.653  61.632  4.5345  68.340  4.2862  -6.708576      6.239641  
1 1 1 9   77  4  o 131.450 3.1856  9396.35    453.548  8414.86    651.365  10320.07   631.906  124.059 4.8476  137.540 4.2418  -13.48154      6.441451  
1 1 1 9   77  5  o 150.891 3.3261  12388.15   543.586  12487.01   770.156  12290.01   767.346  151.137 4.7047  149.934 4.7252  1.203018       6.667994  
1 1 1 9   77  6  o 155.515 3.4461  13166.82   580.451  12863.89   827.592  13460.11   814.331  153.275 4.9851  156.852 4.7934  -3.576691      6.915744  
1 1 1 9   77  7  o 190.467 3.8332  19783.55   790.773  18786.92   1124.01  20760.28   1112.72  184.874 5.6134  194.506 5.2818  -9.631836      7.707615  
1 1 1 9   77  8  o 103.080 3.1173  5782.63    348.029  5444.03    508.775  6080.42    477.124  99.702  4.7114  105.495 4.1757  -5.792656      6.295536  
1 1 1 9   77  9  f 86.973  3.2034  4119.44    301.766  4114.02    458.468  4123.58    400.838  86.455  4.9164  86.830  4.2621  -0.3749313     6.506652  
1 1 1 9   77  10 o 80.602  3.6870  3546.60    321.879  3814.12    618.331  3447.16    376.985  82.468  6.9883  79.209  4.4117  3.259125       8.264336  
1 1 1 9   77  11 o 14.671  6.0472  39.265     155.314  327.024    448.878  0.1293     165.538  27.628  10.636  14.207  6.0705  13.42095       12.24625  
1 1 1 9   77  12 o 56.756  3.5327  1766.36    216.087  1575.77    524.802  1805.27    237.121  51.544  9.7577  57.316  3.8419  -5.771652      10.48678  
1 1 1 9   77  13 o 75.356  3.0004  3095.97    244.885  2847.98    332.414  3390.28    362.131  71.902  4.2880  78.474  4.2767  -6.572159      6.056168  
1 1 1 9   77  14 o 47.889  6.7216  1310.19    339.043  1187.49    502.180  1412.97    459.601  44.013  10.650  48.827  9.0230  -4.813717      13.95815  
1 1 1 9   77  15 o 17.603  1.2790  168.958    24.219   161.590    35.808   175.172    32.881   17.131  1.9654  17.878  1.7193  -0.7468700     2.611261  
1 1 1 9   77  16 o 47.642  4.1382  1262.73    211.418  1031.10    503.259  1312.37    232.972  40.064  11.175  48.465  4.4892  -8.400597      12.04318  
1 1 1 9   77  17 o 42.838  4.7255  1037.04    215.607  483.726    496.432  1165.68    239.361  29.416  11.218  45.356  4.9530  -15.93922      12.26306  
1 1 1 9   77  18 o 27.618  7.5076  466.449    230.467  0.0000     0.0000   466.449    230.467  ?       ?       27.618  7.5076  0.000000       7.507557  
1 1 1 9   77  19 o 28.000  8.4536  490.846    277.891  0.0000     0.0000   490.846    277.891  ?       ?       28.000  8.4536  0.000000       8.453553  
1 1 1 9   77  20 o 25.262  8.5291  391.168    276.979  0.0000     0.0000   391.168    276.979  ?       ?       25.262  8.5291  0.000000       8.529113  
1 1 1 9   77  21 o 48.124  6.4208  1386.39    326.320  0.0000     0.0000   1386.39    326.320  ?       ?       48.124  6.4208  0.000000       6.420774  
1 1 1 9   77  22 o 19.353  7.7909  159.324    250.677  0.0000     0.0000   159.324    250.677  ?       ?       19.353  7.7909  0.000000       7.790905  
1 1 1 9   78  0  o 51.522  5.4192  1469.73    297.881  1206.29    407.752  1771.23    436.222  45.862  8.5223  56.147  7.3497  -10.28427      11.25378  
1 1 1 9   78  1  o 142.681 3.2913  11072.56   508.635  10330.10   717.969  11820.63   720.675  137.475 4.8218  147.141 4.5221  -9.665619      6.610519  
1 1 1 9   78  2  o 22.066  5.9533  276.486    145.566  405.378    205.343  146.286    206.383  26.617  7.0214  19.109  7.2462  7.508070       10.08998  
1 1 1 9   78  3  o 167.779 3.5600  15325.29   646.923  14245.88   916.044  16399.25   913.735  161.267 5.2445  173.161 4.8719  -11.89435      7.158215  
1 1 1 9   78  4  o 209.197 4.0771  23870.25   923.789  24082.57   1309.08  23659.64   1303.81  209.377 5.7725  207.516 5.8009  1.861115       8.183639  
1 1 1 9   78  5  o 20.263  7.1863  199.022    197.653  40.335     225.971  715.800    407.788  17.361  7.2366  35.118  10.149  -17.75739      12.46483  
1 1 1 9   78  6  o 56.260  3.6375  1731.94    220.464  1821.99    312.150  1642.31    311.418  57.438  5.0696  54.449  5.3497  2.989395       7.370223  
1 1 1 9   78  7  o 120.520 3.2274  7907.40    421.292  6916.10    605.604  8836.97    586.451  112.309 4.9786  127.161 4.2580  -14.85271      6.551088  
1 1 1 9   78  8  o 210.186 4.0515  24136.12   922.339  24127.94   1311.65  24144.12   1297.24  209.198 5.7888  209.311 5.7222  -0.1125641     8.139617  
1 1 1 9   78  9  o 130.829 3.2071  9324.47    454.452  9486.13    659.941  9178.68    626.729  131.535 4.6323  129.441 4.4703  2.094543       6.437510  
1 1 1 9   78  10 o 88.978  3.6328  4322.50    350.103  4354.22    662.360  4310.21    412.424  88.090  6.9999  88.709  4.2924  -0.6189423     8.211199  
1 1 1 9   78  11 o 105.971 3.0425  6119.61    349.211  6875.63    763.134  5919.37    392.743  110.997 6.3745  104.123 3.4825  6.873642       7.263758  
1 1 1 9   78  12 o 44.946  1.8332  1096.67    89.242   1047.92    489.703  1098.34    90.762   41.509  10.792  44.978  1.8631  -3.469585      10.95157  
1 1 1 9   78  13 o 53.952  4.4433  1610.82    257.339  1641.93    521.583  1600.81    295.856  52.593  9.5063  53.585  5.1614  -0.9919548     10.81711  
1 1 1 9   78  14 o 18.476  7.1062  136.855    200.257  648.332    458.553  16.318     222.607  33.111  10.971  16.595  7.0638  16.51629       13.04864  
1 1 1 9   78  15 o 27.217  6.3216  433.629    182.790  485.492    473.598  424.551    198.143  29.939  11.054  26.847  6.8052  3.092703       12.98063  
1 1 1 9   78  16 o 62.125  3.5083  2129.97    235.097  1795.80    552.016  2204.01    259.840  53.729  9.8487  63.090  3.8206  -9.360649      10.56376  
1 1 1 9   78  17 o 41.170  4.5969  958.336    201.481  1815.14    498.934  791.390    220.237  54.296  8.7840  36.952  5.6849  17.34400       10.46315  
1 1 1 9   78  18 o 27.896  8.2545  481.996    266.934  0.0000     0.0000   481.996    266.934  ?       ?       27.896  8.2545  0.000000       8.254459  
1 1 1 9   78  19 o 69.005  4.9948  2709.83    370.786  0.0000     0.0000   2709.83    370.786  ?       ?       69.005  4.9948  0.000000       4.994828  
1 1 1 9   78  20 o 39.632  7.2465  963.333    299.596  0.0000     0.0000   963.333    299.596  ?       ?       39.632  7.2465  0.000000       7.246500  
1 1 1 9   78  21 o 48.422  6.4259  1406.34    328.695  0.0000     0.0000   1406.34    328.695  ?       ?       48.422  6.4259  0.000000       6.425946  
1 1 1 9   78  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   79  0  o 104.860 4.4684  6004.41    507.500  5904.35    717.671  6104.50    717.756  103.333 6.4445  105.112 6.3341  -1.779282      9.036182  
1 1 1 9   79  1  o 46.960  4.2801  1213.22    215.304  1415.88    397.793  1129.25    256.051  50.006  7.5823  45.088  5.3473  4.917881       9.278224  
1 1 1 9   79  2  o 103.002 3.0084  5767.82    335.621  5507.21    472.829  6032.47    476.473  100.437 4.3465  105.148 4.1837  -4.711670      6.032902  
1 1 1 9   79  3  o 151.252 3.3065  12448.81   541.675  11996.86   768.096  12895.96   764.008  148.092 4.7887  153.603 4.5923  -5.510803      6.634780  
1 1 1 9   79  4  o 97.690  2.8569  5187.62    302.285  4761.03    410.241  5694.37    447.129  93.410  4.0548  102.160 4.0410  -8.749031      5.724597  
1 1 1 9   79  5  o 152.197 3.3911  12613.56   559.004  11869.64   792.145  13351.53   788.968  147.178 4.9693  156.204 4.6633  -9.026276      6.814695  
1 1 1 9   79  6  o 129.060 3.1804  9066.22    444.573  9328.30    636.000  8815.79    621.687  130.582 4.4968  126.937 4.5218  3.644997       6.377168  
1 1 1 9   79  7  o 70.805  3.2884  2730.74    252.183  2651.86    375.396  2795.62    340.441  69.333  5.0333  71.342  4.4277  -2.009018      6.703596  
1 1 1 9   79  8  o 56.659  2.3396  1743.92    143.575  1816.49    164.726  1514.52    292.877  57.802  2.6312  52.225  5.2488  5.577255       5.871378  
1 1 1 9   79  9  o 87.327  3.2715  4156.59    309.427  3537.12    469.513  4632.23    411.413  79.925  5.4563  92.013  4.1282  -12.08768      6.841995  
1 1 1 9   79  10 o 50.825  4.3983  1426.79    239.730  2601.85    515.033  1101.79    270.861  67.865  7.1125  44.272  5.7871  23.59221       9.169468  
1 1 1 9   79  11 o 27.047  5.9704  421.209    170.223  748.538    471.843  372.233    182.514  35.513  11.071  25.366  6.5852  10.14713       12.88136  
1 1 1 9   79  12 o 60.704  4.2578  2032.02    278.177  2300.78    549.035  1939.20    322.658  63.166  8.2197  59.067  5.0933  4.099579       9.669796  
1 1 1 9   79  13 o 72.512  3.9826  2893.56    311.590  2975.67    592.029  2862.11    366.450  72.009  7.7107  71.880  4.7334  0.1284027      9.047606  
1 1 1 9   79  14 o 60.760  4.1334  2041.18    270.403  2398.68    550.349  1927.41    310.460  64.142  8.1026  58.783  4.9216  5.359455       9.480161  
1 1 1 9   79  15 o 37.687  5.0797  805.345    202.069  1028.48    492.185  760.109    221.607  40.078  11.003  36.345  5.8262  3.732998       12.45052  
1 1 1 9   79  16 o 63.250  3.5982  2213.38    245.477  1909.67    565.674  2283.84    272.469  55.169  9.8270  64.117  3.9426  -8.947979      10.58837  
1 1 1 9   79  17 o 15.103  6.5845  -12.9757   202.557  0.0000     0.0000   -12.9757   202.557  ?       ?       15.103  6.5845  0.000000       6.584489  
1 1 1 9   79  18 o 17.790  7.5254  56.792     250.027  0.0000     0.0000   56.792     250.027  ?       ?       17.790  7.5254  0.000000       7.525414  
1 1 1 9   79  19 o 18.717  7.8842  81.569     272.578  0.0000     0.0000   81.569     272.578  ?       ?       18.717  7.8842  0.000000       7.884241  
1 1 1 9   79  20 o 30.000  7.9747  572.953    263.572  0.0000     0.0000   572.953    263.572  ?       ?       30.000  7.9747  0.000000       7.974681  
1 1 1 9   79  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   79  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   80  0  o 41.211  1.9809  921.350    88.419   928.141    90.439   774.419    420.677  41.361  2.0188  36.434  10.237  4.927567       10.43384  
1 1 1 9   80  1  o 4.7845  2.1852  -17.1688   25.226   -17.2591   25.284   2.5576     373.817  4.7878  2.1871  21.229  9.0979  -16.44171      9.357069  
1 1 1 9   80  2  o 91.432  2.9822  4545.69    295.325  4397.82    419.275  4691.29    416.050  89.734  4.3139  92.710  4.1433  -2.976082      5.981413  
1 1 1 9   80  3  o 92.551  2.9728  4658.11    298.005  4808.44    428.938  4517.85    414.327  93.836  4.2204  90.959  4.2056  2.876892       5.958111  
1 1 1 9   80  4  o 140.345 3.1808  10719.44   483.506  11088.20   688.597  10360.83   679.063  142.400 4.4646  137.623 4.5556  4.777100       6.378600  
1 1 1 9   80  5  o 136.667 3.2014  10167.68   473.892  10566.37   672.127  9773.57    668.258  138.982 4.4650  133.620 4.6175  5.362061       6.423196  
1 1 1 9   80  6  o 83.725  3.1384  3816.26    284.601  3609.00    413.753  4002.39    392.093  81.015  4.7359  85.558  4.2311  -4.543762      6.350684  
1 1 1 9   80  7  o 35.326  2.0904  679.832    79.624   655.752    83.789   904.133    255.725  34.677  2.2429  40.017  6.0924  -5.340145      6.492190  
1 1 1 9   80  8  o 106.153 3.1327  6138.16    360.178  5971.05    521.433  6290.65    498.104  104.344 4.6138  107.191 4.2903  -2.846962      6.300315  
1 1 1 9   80  9  o 76.707  3.3935  3209.97    281.933  3007.68    434.744  3356.79    370.373  73.623  5.4914  78.129  4.3947  -4.505905      7.033422  
1 1 1 9   80  10 o 95.275  3.6443  4960.49    376.068  4304.91    702.245  5224.10    445.304  87.209  7.5078  97.627  4.2113  -10.41783      8.608244  
1 1 1 9   80  11 o 45.897  4.0054  1162.38    197.115  1079.27    506.554  1177.21    213.980  42.079  10.994  46.118  4.3347  -4.039558      11.81723  
1 1 1 9   80  12 o 62.484  4.2108  2153.39    283.312  2021.79    558.949  2198.89    328.658  58.654  9.0928  62.957  4.8574  -4.303192      10.30890  
1 1 1 9   80  13 o 49.856  6.7118  1422.40    353.225  1118.97    522.821  1677.21    479.107  42.339  11.220  53.372  8.5786  -11.03279      14.12419  
1 1 1 9   80  14 f 48.625  1.8949  1285.42    99.795   846.205    505.333  1303.25    101.800  36.641  11.463  48.959  1.9198  -12.31721      11.62231  
1 1 1 9   80  15 o 24.442  6.4857  353.353    174.536  584.739    477.857  317.733    187.490  31.244  11.164  23.270  6.9253  7.973415       13.13737  
1 1 1 9   80  16 o 65.320  2.3371  2329.74    165.350  2645.00    214.254  1865.44    260.013  69.462  2.8478  57.793  4.1821  11.66922       5.059666  
1 1 1 9   80  17 o 28.621  6.9868  495.916    214.696  0.0000     0.0000   495.916    214.696  ?       ?       28.621  6.9868  0.000000       6.986840  
1 1 1 9   80  18 o 37.565  7.2228  856.326    283.198  0.0000     0.0000   856.326    283.198  ?       ?       37.565  7.2228  0.000000       7.222760  
1 1 1 9   80  19 o 43.257  6.8260  1126.14    309.207  0.0000     0.0000   1126.14    309.207  ?       ?       43.257  6.8260  0.000000       6.825998  
1 1 1 9   80  20 o 22.258  8.4226  267.777    278.467  0.0000     0.0000   267.777    278.467  ?       ?       22.258  8.4226  0.000000       8.422607  
1 1 1 9   80  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   81  0  o 70.597  4.1907  2730.76    318.998  3124.72    465.624  2382.31    437.912  75.162  5.7635  65.442  6.2544  9.720573       8.504999  
1 1 1 9   81  1  o 228.223 6.1886  28722.81   1529.75  29702.30   2166.55  27749.02   2160.25  230.080 8.6940  222.128 8.9790  7.951477       12.49835  
1 1 1 9   81  2  o 130.527 4.7337  9326.88    669.224  9433.54    933.018  9213.87    960.428  130.443 6.6257  128.780 6.9109  1.662582       9.573926  
1 1 1 9   81  3  o 61.931  3.1748  2092.95    212.245  2032.50    306.091  2148.94    294.559  60.755  4.6878  62.546  4.3757  -1.790718      6.412639  
1 1 1 9   81  4  o 89.007  2.7282  4306.84    263.005  4345.32    350.500  4257.26    397.879  89.272  3.6250  88.268  4.1618  1.004242       5.519126  
1 1 1 9   81  5  o 57.163  3.4520  1787.34    212.725  2232.79    302.372  1350.81    299.328  63.729  4.4077  49.195  5.7247  14.53339       7.224932  
1 1 1 9   81  6  o 52.460  2.4194  1495.32    137.473  1432.49    154.832  1729.30    298.809  51.243  2.8003  55.906  4.9871  -4.663303      5.719535  
1 1 1 9   81  7  o 42.472  4.5015  999.232    203.920  807.291    315.211  1137.38    267.419  37.239  8.0498  45.087  5.5964  -7.848804      9.804027  
1 1 1 9   81  8  o 69.031  3.4300  2599.84    256.451  2127.41    387.841  2966.88    341.849  61.748  5.8697  73.463  4.3153  -11.71550      7.285272  
1 1 1 9   81  9  o 15.017  6.4194  1.0852     185.268  318.430    308.715  -177.5388  231.612  25.119  8.9733  14.036  6.4870  11.08266       11.07257  
1 1 1 9   81  10 o 22.367  7.5106  267.705    214.765  99.987     468.057  312.432    241.712  24.552  10.336  23.969  7.9666  0.5823498      13.05006  
1 1 1 9   81  11 o 47.727  2.1818  1238.05    112.785  1277.25    514.674  1236.07    115.594  45.843  10.580  47.684  2.2382  -1.841255      10.81442  
1 1 1 9   81  12 o 82.410  3.6978  3721.06    330.058  3717.09    640.056  3722.50    385.227  80.680  7.4073  82.136  4.3457  -1.456032      8.587941  
1 1 1 9   81  13 o 119.015 3.7551  7778.89    484.059  7544.26    879.607  7880.82    579.740  114.986 7.0974  119.441 4.4813  -4.455070      8.393796  
1 1 1 9   81  14 o 60.161  3.6534  1998.37    236.930  1734.62    560.942  2055.64    261.392  52.783  10.181  60.910  3.9841  -8.126762      10.93262  
1 1 1 9   81  15 o 7.1907  2.8734  14.148     33.823   8.2847     34.440   173.426    179.495  6.9280  2.8507  18.701  6.8205  -11.77289      7.392225  
1 1 1 9   81  16 o 40.875  4.6786  946.095    203.398  930.682    515.596  948.935    221.350  37.169  11.570  40.763  5.1270  -3.593857      12.65550  
1 1 1 9   81  17 o 46.713  5.4897  1255.70    272.457  0.0000     0.0000   1255.70    272.457  ?       ?       46.713  5.4897  0.000000       5.489703  
1 1 1 9   81  18 o 23.183  8.4699  298.381    276.986  0.0000     0.0000   298.381    276.986  ?       ?       23.183  8.4699  0.000000       8.469921  
1 1 1 9   81  19 f 51.296  5.9074  1542.24    322.214  0.0000     0.0000   1542.24    322.214  ?       ?       51.296  5.9074  0.000000       5.907366  
1 1 1 9   81  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   81  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   82  0  o 72.252  4.1728  2861.11    325.162  2885.15    468.572  2838.79    451.594  72.088  6.0575  71.553  5.8790  0.5340729      8.441308  
1 1 1 9   82  1  o 68.305  5.8593  2588.57    429.280  2588.57    429.280  0.0000     0.0000   68.305  5.8593  ?       ?       0.000000       5.859284  
1 1 1 9   82  2  o 130.497 6.6164  9454.34    932.120  0.0000     0.0000   9454.34    932.120  ?       ?       130.497 6.6164  0.000000       6.616420  
1 1 1 9   82  3  o 155.010 3.9379  13119.81   661.139  12543.92   1168.29  13391.13   801.893  150.148 7.1839  156.320 4.7362  -6.171906      8.604678  
1 1 1 9   82  4  o 94.305  3.0963  4841.47    316.262  4796.03    457.237  4883.15    437.914  93.588  4.5108  94.486  4.2791  -0.8981552     6.217506  
1 1 1 9   82  5  o 116.615 3.0166  7402.51    381.010  7279.09    535.245  7529.30    542.485  115.339 4.2846  117.309 4.2696  -1.969788      6.048735  
1 1 1 9   82  6  o 71.366  3.3021  2776.03    255.242  2618.67    370.147  2918.69    352.438  68.856  4.9972  72.845  4.4888  -3.989403      6.717270  
1 1 1 9   82  7  o 80.563  3.1860  3537.27    278.000  3727.37    406.610  3370.40    380.948  82.300  4.5797  78.266  4.5130  4.033951       6.429680  
1 1 1 9   82  8  o 83.273  2.7704  3774.35    249.873  3599.71    323.315  4033.39    393.754  81.169  3.6776  85.795  4.2373  -4.626503      5.610701  
1 1 1 9   82  9  o 74.914  3.4461  3064.03    279.619  2735.97    432.891  3298.90    366.284  70.066  5.7551  77.419  4.3862  -7.353569      7.236038  
1 1 1 9   82  10 o 41.157  5.4185  952.222    235.671  1436.95    508.695  819.751    265.932  49.018  9.9220  37.759  6.7502  11.25893       12.00046  
1 1 1 9   82  11 o 15.936  1.9995  140.125    33.751   140.584    34.095   117.710    238.253  15.960  2.0175  19.121  7.6310  -3.161129      7.893210  
1 1 1 9   82  12 o 74.795  5.2502  3122.07    422.628  2977.41    618.198  3249.01    579.089  71.592  8.1158  75.358  7.1818  -3.765770      10.83718  
1 1 1 9   82  13 o 15.706  6.7598  0.7327     207.985  -99.8074   478.039  24.208     230.994  21.919  9.8062  16.920  7.1987  4.998781       12.16480  
1 1 1 9   82  14 o 32.036  5.4377  591.656    181.931  389.259    370.118  656.140    208.912  26.680  9.7843  33.588  5.9610  -6.908045      11.45711  
1 1 1 9   82  15 o 39.672  4.7631  892.064    200.576  473.917    514.981  966.839    217.773  29.380  11.369  41.241  4.9758  -11.86179      12.41017  
1 1 1 9   82  16 o 31.381  6.3647  584.725    208.931  0.0000     0.0000   584.725    208.931  ?       ?       31.381  6.3647  0.000000       6.364701  
1 1 1 9   82  17 o 31.522  7.6626  613.524    259.064  0.0000     0.0000   613.524    259.064  ?       ?       31.522  7.6626  0.000000       7.662565  
1 1 1 9   82  18 o 23.725  8.3256  329.296    264.700  0.0000     0.0000   329.296    264.700  ?       ?       23.725  8.3256  0.000000       8.325634  
1 1 1 9   82  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   82  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   83  0  o 61.649  3.7317  2080.86    247.999  1975.04    314.750  2254.13    402.743  59.818  4.9011  63.672  5.9072  -3.854042      7.675697  
1 1 1 9   83  1  o 70.489  4.1134  2724.16    312.681  2757.62    446.117  2691.85    438.380  70.472  5.8989  69.631  5.8674  0.8418274      8.320090  
1 1 1 9   83  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   83  3  o 77.366  6.6678  3344.13    553.272  0.0000     0.0000   3344.13    553.272  ?       ?       77.366  6.6678  0.000000       6.667777  
1 1 1 9   83  4  o 72.423  3.0078  2855.23    235.937  2771.58    334.780  2937.77    332.561  71.020  4.3735  73.162  4.2146  -2.142662      6.073733  
1 1 1 9   83  5  o 105.213 3.0021  6027.32    342.108  6141.35    488.821  5917.84    478.959  105.915 4.2611  103.972 4.2532  1.943047       6.020501  
1 1 1 9   83  6  o 119.484 3.1188  7778.65    403.609  7597.06    576.487  7953.23    565.257  117.688 4.5226  120.478 4.3318  -2.790260      6.262470  
1 1 1 9   83  7  o 89.371  3.1156  4352.86    301.586  4372.03    448.640  4337.05    407.356  89.104  4.6649  88.974  4.2271  0.1301651      6.295203  
1 1 1 9   83  8  o 90.308  3.1417  4446.09    307.298  4146.72    461.123  4685.26    412.158  86.662  4.9331  92.486  4.1145  -5.824593      6.423736  
1 1 1 9   83  9  f 20.256  6.9718  212.342    185.183  369.395    318.301  131.984    227.682  26.337  9.1361  19.194  7.5225  7.142891       11.83450  
1 1 1 9   83  10 o 76.785  3.8307  3230.54    318.586  2536.50    622.118  3477.24    370.912  65.870  8.9518  79.423  4.3281  -13.55236      9.943209  
1 1 1 9   83  11 f 73.920  5.2977  3048.11    421.336  2724.51    617.705  3329.66    576.179  68.302  8.5362  76.446  7.0378  -8.143822      11.06333  
1 1 1 9   83  12 o 19.769  7.2334  188.529    202.122  207.739    483.464  184.461    222.500  25.794  10.654  20.112  7.5465  5.682261       13.05610  
1 1 1 9   83  13 o 47.697  2.5916  1245.92    133.380  1675.55    541.109  1218.13    137.626  51.877  9.9928  47.137  2.7071  4.739967       10.35302  
1 1 1 9   83  14 o 11.203  5.3427  -220.6028  180.068  -93.4993   472.595  -242.1889  194.759  21.542  9.6853  11.591  5.5354  9.950900       11.15554  
1 1 1 9   83  15 o 65.489  3.4225  2369.73    241.921  3026.35    595.131  2239.74    264.785  71.212  7.8462  63.487  3.8691  7.724880       8.748281  
1 1 1 9   83  16 o 47.492  5.3477  1292.81    270.291  0.0000     0.0000   1292.81    270.291  ?       ?       47.492  5.3477  0.000000       5.347656  
1 1 1 9   83  17 o 29.230  7.6356  529.627    244.386  0.0000     0.0000   529.627    244.386  ?       ?       29.230  7.6356  0.000000       7.635598  
1 1 1 9   83  18 o 24.691  9.3522  340.190    343.536  0.0000     0.0000   340.190    343.536  ?       ?       24.691  9.3522  0.000000       9.352242  
1 1 1 9   83  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   83  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   84  0  o 62.038  3.9436  2110.58    263.604  2562.13    489.913  1926.58    312.733  67.609  6.7817  59.048  4.9352  8.561798       8.387299  
1 1 1 9   84  1  o 95.206  3.0243  4934.03    311.857  4742.67    442.926  5122.15    439.163  93.076  4.3936  96.775  4.1898  -3.699379      6.071097  
1 1 1 9   84  2  o 55.600  4.6137  1705.82    275.327  2044.58    423.389  1457.60    362.424  60.365  6.5823  50.808  6.7532  9.557446       9.430437  
1 1 1 9   84  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   84  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   84  5  o 100.420 2.8393  5488.73    308.821  5179.98    422.757  5842.00    452.208  97.311  4.0111  103.334 4.0404  -6.023804      5.693284  
1 1 1 9   84  6  o 69.771  3.1825  2653.58    240.497  2637.84    374.666  2664.62    313.642  69.049  5.0447  69.631  4.1780  -0.5819626     6.550157  
1 1 1 9   84  7  o 80.741  3.1824  3554.37    278.302  3398.22    421.717  3674.83    370.412  78.412  4.9915  81.791  4.1954  -3.379051      6.520510  
1 1 1 9   84  8  o 86.364  3.2307  4069.55    302.200  4064.78    461.694  4073.12    399.723  85.734  4.9936  86.159  4.2834  -0.4252625     6.579052  
1 1 1 9   84  9  o 35.910  5.4236  729.289    204.373  759.544    344.715  712.890    253.787  35.675  8.9394  35.068  6.9274  0.6064148      11.30934  
1 1 1 9   84  10 o 51.149  4.7406  1456.19    259.641  1158.19    541.813  1545.02    295.820  43.064  11.427  52.536  5.2698  -9.471992      12.58378  
1 1 1 9   84  11 o 25.666  9.2364  347.149    327.655  697.257    492.586  69.310     438.811  33.945  11.375  23.133  9.8839  10.81224       15.06897  
1 1 1 9   84  12 o 63.054  4.2224  2207.68    286.702  2615.64    581.658  2076.76    329.512  66.489  8.2546  60.826  5.0472  5.662216       9.675342  
1 1 1 9   84  13 o 62.299  2.4092  2118.38    162.565  2267.73    205.561  1869.00    265.618  64.333  2.9501  57.892  4.2662  6.440517       5.186863  
1 1 1 9   84  14 o 40.314  4.6229  917.942    198.206  1397.33    524.603  838.114    214.074  46.412  10.660  38.249  5.3107  8.163269       11.90997  
1 1 1 9   84  15 f 81.135  3.6500  3639.01    320.753  0.0000     0.0000   3639.01    320.753  ?       ?       81.135  3.6500  0.000000       3.650013  
1 1 1 9   84  16 f 64.349  4.7573  2339.80    329.217  0.0000     0.0000   2339.80    329.217  ?       ?       64.349  4.7573  0.000000       4.757282  
1 1 1 9   84  17 o 38.578  6.4424  886.140    259.694  0.0000     0.0000   886.140    259.694  ?       ?       38.578  6.4424  0.000000       6.442418  
1 1 1 9   84  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   84  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   85  0  o 5.7854  2.5435  -8.5503    30.791   -1.9684    31.256   -225.0320  179.253  6.1376  2.6305  11.257  5.3580  -5.119833      5.968932  
1 1 1 9   85  1  o 100.795 3.0411  5532.48    332.004  5253.86    472.192  5804.89    466.903  97.917  4.4524  102.994 4.1855  -5.077072      6.110804  
1 1 1 9   85  2  o 20.475  6.6143  227.507    167.125  644.760    243.882  -141.9119  229.477  33.434  6.9610  14.440  6.5934  18.99368       9.587934  
1 1 1 9   85  3  o 57.853  6.6300  1883.75    407.941  1883.75    407.941  0.0000     0.0000   57.853  6.6300  ?       ?       0.000000       6.630046  
1 1 1 9   85  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   85  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   85  6  o 88.528  4.6463  4317.03    443.957  4308.11    663.130  4324.28    597.662  87.485  7.0584  87.981  6.3138  -0.4959793     9.470262  
1 1 1 9   85  7  o 81.559  2.7741  3622.27    245.054  3547.93    316.280  3733.93    387.617  80.561  3.6247  82.363  4.3606  -1.802361      5.670422  
1 1 1 9   85  8  o 86.940  3.2529  4127.11    306.311  4238.37    467.734  4043.56    405.317  87.500  4.9557  85.663  4.3832  1.837418       6.615991  
1 1 1 9   85  9  o 62.043  4.6152  2133.75    307.918  2106.31    383.410  2183.61    516.780  61.216  5.8540  61.428  7.9540  -0.2117729     9.876021  
1 1 1 9   85  10 o 63.111  5.8441  2246.41    394.944  2095.79    586.460  2371.41    534.254  59.102  9.4821  63.851  7.8932  -4.749355      12.33745  
1 1 1 9   85  11 o 36.216  1.7972  712.893    70.497   725.286    73.845   585.471    236.791  36.476  1.8755  31.422  7.1221  5.053846       7.364935  
1 1 1 9   85  12 o 32.824  6.7536  637.515    232.096  911.102    516.256  568.210    259.836  37.349  11.570  30.628  7.8089  6.720570       13.95855  
1 1 1 9   85  13 o 28.958  6.0699  493.133    184.290  309.988    509.272  520.730    197.688  27.080  11.031  29.686  6.3410  -2.605593      12.72378  
1 1 1 9   85  14 o 17.591  6.8528  124.889    188.069  0.0000     0.0000   124.889    188.069  ?       ?       17.591  6.8528  0.000000       6.852759  
1 1 1 9   85  15 f 43.270  5.7156  1082.58    261.311  0.0000     0.0000   1082.58    261.311  ?       ?       43.270  5.7156  0.000000       5.715599  
1 1 1 9   85  16 o 52.847  5.0504  1593.34    285.556  0.0000     0.0000   1593.34    285.556  ?       ?       52.847  5.0504  0.000000       5.050361  
1 1 1 9   85  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   85  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   85  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   86  0  o 30.871  5.0809  537.394    163.976  635.636    243.889  456.350    221.516  33.176  7.0070  28.058  7.2405  5.117702       10.07586  
1 1 1 9   86  1  o 70.435  3.1896  2703.62    243.330  2502.10    348.164  2896.04    340.216  67.329  4.8059  72.579  4.3479  -5.249825      6.480803  
1 1 1 9   86  2  o 114.948 3.0795  7197.98    383.397  7003.91    547.379  7384.89    537.175  113.020 4.4716  116.116 4.2713  -3.095993      6.183764  
1 1 1 9   86  3  o 106.509 3.0903  6180.68    356.499  5793.82    514.429  6538.14    494.492  102.740 4.6229  109.274 4.1780  -6.533920      6.231152  
1 1 1 9   86  4  o 35.468  10.870  743.521    457.078  743.521    457.078  0.0000     0.0000   35.468  10.870  ?       ?       0.000000       10.86999  
1 1 1 9   86  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   86  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   86  7  o 90.690  6.7210  4633.19    655.482  0.0000     0.0000   4633.19    655.482  ?       ?       90.690  6.7210  0.000000       6.721008  
1 1 1 9   86  8  o 51.531  6.4491  1509.52    352.063  1515.91    517.727  1504.01    480.176  50.155  9.8819  50.300  9.1510  -0.1441956     13.46822  
1 1 1 9   86  9  o 86.568  4.9003  4165.13    457.575  4071.44    664.282  4249.72    631.203  84.257  7.3528  86.439  6.7969  -2.182152      10.01303  
1 1 1 9   86  10 o 63.717  5.8245  2297.29    397.517  2039.50    580.941  2524.27    545.115  57.964  9.5887  65.737  7.8089  -7.772865      12.36615  
1 1 1 9   86  11 o 50.161  2.0505  1369.84    111.402  1370.27    541.050  1369.82    113.841  46.153  10.982  50.155  2.0956  -4.001678      11.18063  
1 1 1 9   86  12 o 28.392  2.1832  441.907    66.622   417.119    70.380   655.654    206.668  27.546  2.3824  33.584  5.8967  -6.037771      6.359750  
1 1 1 9   86  13 o 51.724  4.1313  1492.87    229.514  1472.76    559.533  1496.94    251.660  47.402  11.095  51.636  4.5461  -4.233536      11.98984  
1 1 1 9   86  14 o 22.165  7.5301  278.311    215.906  0.0000     0.0000   278.311    215.906  ?       ?       22.165  7.5301  0.000000       7.530081  
1 1 1 9   86  15 o 35.061  7.0981  742.458    260.300  0.0000     0.0000   742.458    260.300  ?       ?       35.061  7.0981  0.000000       7.098108  
1 1 1 9   86  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   86  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   86  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  0  o 71.313  3.1774  2771.72    245.417  2555.78    346.684  2988.63    347.461  68.058  4.7325  73.717  4.3713  -5.658836      6.442421  
1 1 1 9   87  1  o 65.504  2.4792  2332.86    175.897  2347.47    213.131  2301.65    311.492  65.650  2.9974  64.630  4.4774  1.019829       5.388116  
1 1 1 9   87  2  o 65.903  3.3755  2375.69    240.130  2406.31    341.845  2345.86    337.390  65.991  4.8160  65.152  4.8153  0.8382111      6.810313  
1 1 1 9   87  3  o 18.661  6.6076  171.164    167.040  192.327    265.652  157.326    214.822  21.511  8.2057  19.471  7.3906  2.040546       11.04332  
1 1 1 9   87  4  o 60.813  3.4148  2025.45    224.013  1854.56    342.651  2153.01    296.040  57.645  5.5569  62.478  4.4030  -4.832409      7.089784  
1 1 1 9   87  5  o 26.471  10.439  273.757    440.898  273.757    440.898  0.0000     0.0000   26.471  10.439  ?       ?       0.000000       10.43862  
1 1 1 9   87  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  9  o 105.616 4.2368  6158.54    484.654  6119.15    633.880  6213.98    751.957  104.382 5.6275  104.434 6.6829  -0.5139923E-01 8.736724  
1 1 1 9   87  10 o 93.350  4.8729  4868.44    490.980  5277.49    713.266  4500.08    676.865  95.738  6.9253  88.204  7.1465  7.534645       9.951478  
1 1 1 9   87  11 f 37.620  6.2184  823.406    244.523  682.903    497.484  868.163    280.781  33.057  11.424  38.309  7.0259  -5.252613      13.41181  
1 1 1 9   87  12 o 31.337  5.8830  572.976    192.345  617.989    523.776  565.959    206.793  31.915  11.649  30.967  6.3778  0.9476852      13.28085  
1 1 1 9   87  13 o 57.423  4.1671  1840.66    257.407  0.0000     0.0000   1840.66    257.407  ?       ?       57.423  4.1671  0.000000       4.167080  
1 1 1 9   87  14 o 31.589  7.0994  603.511    236.984  0.0000     0.0000   603.511    236.984  ?       ?       31.589  7.0994  0.000000       7.099388  
1 1 1 9   87  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   87  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  0  o 93.809  3.0613  4796.42    311.041  4833.24    439.776  4759.56    439.981  93.869  4.3255  93.141  4.3613  0.7280807      6.142583  
1 1 1 9   88  1  o 76.111  3.2162  3159.75    265.128  3480.84    373.049  2832.03    376.876  79.536  4.3469  71.562  4.8917  7.973625       6.544015  
1 1 1 9   88  2  o 84.914  3.0651  3930.96    281.898  4296.48    407.218  3594.61    390.628  88.502  4.2482  80.775  4.4826  7.727676       6.175779  
1 1 1 9   88  3  o 92.907  3.0469  4706.46    306.608  4777.84    442.117  4640.33    425.574  93.273  4.3763  91.951  4.2732  1.322159       6.116566  
1 1 1 9   88  4  o 108.112 3.0697  6375.62    359.454  6357.50    524.531  6391.68    493.570  107.514 4.5044  107.903 4.2232  -0.3888397     6.174575  
1 1 1 9   88  5  o 70.741  3.2070  2732.86    245.723  2612.32    362.273  2835.57    334.408  68.617  4.9069  71.689  4.3271  -3.072556      6.542283  
1 1 1 9   88  6  o 43.764  1.5709  1039.50    74.460   1094.05    78.735   577.691    229.078  44.895  1.6192  31.432  6.9166  13.46262       7.103565  
1 1 1 9   88  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  10 o 107.340 4.4035  6396.19    511.948  0.0000     0.0000   6396.19    511.948  ?       ?       107.340 4.4035  0.000000       4.403459  
1 1 1 9   88  11 o 44.242  2.2544  1069.98    107.668  1065.96    115.965  1095.10    289.858  44.124  2.4360  43.421  6.3511  0.7025795      6.802207  
1 1 1 9   88  12 o 24.053  6.8061  344.000    185.283  167.913    482.410  374.471    200.674  24.715  10.454  25.028  7.0836  -0.3122997     12.62789  
1 1 1 9   88  13 o 42.031  6.2688  1032.21    276.652  0.0000     0.0000   1032.21    276.652  ?       ?       42.031  6.2688  0.000000       6.268763  
1 1 1 9   88  14 o 27.108  9.2807  445.848    327.989  0.0000     0.0000   445.848    327.989  ?       ?       27.108  9.2807  0.000000       9.280695  
1 1 1 9   88  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   88  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   89  0  o 26.943  6.1128  419.401    174.290  165.813    244.152  682.911    248.883  20.367  7.8430  34.333  6.9317  -13.96660      10.46709  
1 1 1 9   89  1  o 29.872  2.0756  487.130    66.736   469.650    69.199   719.673    252.399  29.314  2.1954  35.280  6.8522  -5.966566      7.195292  
1 1 1 9   89  2  o 53.692  3.6767  1584.85    212.530  1545.14    314.436  1618.24    288.377  52.495  5.6174  53.924  4.9942  -1.428917      7.516486  
1 1 1 9   89  3  o 72.100  3.2332  2839.13    252.484  3088.65    375.199  2632.62    341.332  74.726  4.6589  68.988  4.5944  5.738403       6.543232  
1 1 1 9   89  4  o 36.207  4.8634  736.501    185.901  872.867    274.962  621.685    252.303  38.885  6.7749  32.539  7.3344  6.345985       9.984676  
1 1 1 9   89  5  o 24.892  6.2010  360.712    166.566  477.821    265.879  285.059    213.699  28.447  8.1876  22.710  7.4880  5.736958       11.09533  
1 1 1 9   89  6  o 52.528  3.6943  1521.81    208.842  1603.81    331.859  1468.03    268.727  53.229  5.8529  51.236  4.9023  1.992661       7.634747  
1 1 1 9   89  7  o 27.734  6.5866  452.632    194.908  216.509    323.046  587.787    244.405  22.883  8.9626  31.457  7.3122  -8.574207      11.56705  
1 1 1 9   89  8  o 26.112  8.0849  402.232    252.125  355.487    465.105  421.685    300.032  27.457  10.754  26.886  8.8729  0.5713387      13.94209  
1 1 1 9   89  9  o 40.713  8.0773  998.630    343.605  0.0000     0.0000   998.630    343.605  ?       ?       40.713  8.0773  0.000000       8.077276  
1 1 1 9   89  10 f 18.313  7.4358  101.924    230.466  -60.4618   509.991  143.595    258.350  22.776  10.164  19.885  7.9430  2.891079       12.89920  
1 1 1 9   89  11 f 77.159  5.9358  3399.35    492.251  0.0000     0.0000   3399.35    492.251  ?       ?       77.159  5.9358  0.000000       5.935775  
1 1 1 9   89  12 o 54.847  2.2472  1641.31    133.493  0.0000     0.0000   1641.31    133.493  ?       ?       54.847  2.2472  0.000000       2.247189  
1 1 1 9   89  13 o 56.859  5.1049  1837.09    311.033  0.0000     0.0000   1837.09    311.033  ?       ?       56.859  5.1049  0.000000       5.104941  
1 1 1 9   89  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   89  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   89  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   90  0  o 43.466  4.1888  1047.42    194.763  925.406    274.307  1171.46    276.579  40.162  6.5303  45.556  5.7323  -5.393684      8.689264  
1 1 1 9   90  1  o 15.631  6.3527  61.060     168.412  21.831     249.099  94.089     228.565  17.585  7.4785  18.330  7.4182  -0.7450008     10.53361  
1 1 1 9   90  2  o 51.598  3.7856  1467.66    210.088  1727.47    310.987  1249.55    284.938  55.582  5.2272  47.046  5.7088  8.535851       7.740461  
1 1 1 9   90  3  o 41.534  4.6055  963.420    203.693  507.580    303.053  1339.05    275.102  29.311  8.8232  48.836  5.2852  -19.52566      10.28506  
1 1 1 9   90  4  o 64.743  3.3710  2301.13    235.569  2294.26    353.564  2306.62    315.899  64.080  5.1374  64.465  4.5536  -0.3845062     6.864987  
1 1 1 9   90  5  o 41.137  4.3575  944.354    191.196  1092.96    307.747  850.934    244.000  43.462  6.7569  38.500  6.0510  4.962322       9.070310  
1 1 1 9   90  6  o 60.098  3.5448  1990.14    229.719  2272.61    353.112  1782.87    302.477  63.643  5.1673  56.387  5.0047  7.255714       7.193621  
1 1 1 9   90  7  o 24.279  1.2268  320.621    32.155   327.359    32.536   37.611     210.855  24.564  1.2229  16.478  6.9374  8.086012       7.044389  
1 1 1 9   90  8  o 47.369  4.5092  1256.22    228.555  1223.47    382.622  1274.39    284.984  45.178  8.1179  47.272  5.6797  -2.094658      9.907522  
1 1 1 9   90  9  o 77.034  2.8659  3247.91    239.120  3058.54    306.858  3540.68    381.547  74.358  3.8231  79.734  4.4356  -5.375954      5.855840  
1 1 1 9   90  10 o 18.908  7.7911  95.743     257.705  -218.0196  513.851  201.181    297.874  21.309  9.7803  21.863  8.5932  -0.5547714     13.01917  
1 1 1 9   90  11 o 33.876  9.2417  722.600    348.502  0.0000     0.0000   722.600    348.502  ?       ?       33.876  9.2417  0.000000       9.241694  
1 1 1 9   90  12 o 55.906  4.8621  1766.45    291.477  0.0000     0.0000   1766.45    291.477  ?       ?       55.906  4.8621  0.000000       4.862095  
1 1 1 9   90  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   90  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   90  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   90  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   91  0  o 27.085  5.6065  423.175    159.052  404.503    223.818  442.224    226.066  26.271  7.4968  27.398  7.4305  -1.126484      10.55529  
1 1 1 9   91  1  o 98.052  3.0642  5253.88    325.417  5545.78    476.609  4998.96    445.393  100.265 4.3888  95.221  4.3186  5.043793       6.157197  
1 1 1 9   91  2  f 44.472  4.2050  1099.11    200.141  1318.25    297.966  918.976    270.157  48.215  5.8238  39.922  6.4693  8.292522       8.704479  
1 1 1 9   91  3  o 41.715  4.3615  970.777    194.148  1059.94    290.021  898.377    261.345  42.914  6.4383  39.485  6.3244  3.428310       9.024950  
1 1 1 9   91  4  o 33.744  5.4828  651.482    193.507  726.688    293.439  593.611    257.407  34.825  7.9540  31.532  7.6215  3.293121       11.01603  
1 1 1 9   91  5  o 84.436  2.6640  3892.47    243.626  4057.62    317.752  3656.92    379.488  85.985  3.4119  81.194  4.3309  4.790947       5.513370  
1 1 1 9   91  6  o 22.772  6.6389  302.533    173.810  337.283    295.449  284.141    214.939  24.855  8.7891  22.533  7.5136  2.322069       11.56296  
1 1 1 9   91  7  o 71.962  3.3676  2843.48    262.481  3067.44    411.391  2689.72    340.880  73.894  5.1728  69.457  4.5565  4.436317       6.893412  
1 1 1 9   91  8  o 14.428  6.3443  -33.4783   191.646  253.892    347.799  -158.7759  229.657  23.861  9.3124  14.010  6.4695  9.850904       11.33909  
1 1 1 9   91  9  f 20.536  7.0517  229.404    189.397  -78.3808   344.489  362.742    226.740  18.671  8.3407  24.786  7.6659  -6.115688      11.32840  
1 1 1 9   91  10 o 13.097  6.0335  -131.5497  197.995  -58.6702   359.211  -163.3541  237.296  19.249  8.5640  14.191  6.5611  5.058495       10.78847  
1 1 1 9   91  11 o 46.905  7.8959  1328.62    386.884  0.0000     0.0000   1328.62    386.884  ?       ?       46.905  7.8959  0.000000       7.895921  
1 1 1 9   91  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   91  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   91  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   91  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   92  0  o 20.346  6.7495  226.741    173.530  231.629    244.822  221.806    245.999  21.705  7.9580  21.493  7.9604  0.2123108      11.25596  
1 1 1 9   92  1  o 13.956  6.0592  -15.5535   170.073  -108.8070  251.681  62.816     230.723  15.541  7.0202  17.654  7.3316  -2.112540      10.15062  
1 1 1 9   92  2  o 28.556  6.1200  475.967    183.598  619.696    275.693  361.428    246.111  32.113  7.9651  25.032  8.0203  7.081314       11.30345  
1 1 1 9   92  3  o 25.564  6.7378  385.448    189.195  494.031    288.944  303.956    250.318  28.713  8.6091  23.539  8.1055  5.174576       11.82434  
1 1 1 9   92  4  o 29.237  5.9808  498.044    183.007  613.824    289.114  420.639    236.395  31.823  8.3011  26.607  7.7383  5.215693       11.34855  
1 1 1 9   92  5  o 20.132  6.6532  223.875    168.670  -8.4968    271.589  369.773    215.202  17.619  7.6533  25.049  7.4115  -7.430716      10.65374  
1 1 1 9   92  6  o 40.093  4.6585  904.631    198.523  840.402    319.366  945.079    253.437  37.290  8.1360  40.531  5.9504  -3.240562      10.07975  
1 1 1 9   92  7  o 25.703  6.6417  391.537    186.223  593.991    316.911  284.762    230.150  31.099  8.9353  22.690  7.7742  8.408909       11.84386  
1 1 1 9   92  8  o 29.935  6.5738  530.784    207.308  480.523    350.838  557.747    256.966  28.414  9.5991  30.332  7.7832  -1.918081      12.35805  
1 1 1 9   92  9  o 25.338  1.0668  348.232    29.278   25.406     341.565  350.621    29.386   19.929  8.6196  25.425  1.0671  -5.495998      8.685452  
1 1 1 9   92  10 o 21.077  7.9982  210.878    251.558  0.0000     0.0000   210.878    251.558  ?       ?       21.077  7.9982  0.000000       7.998234  
1 1 1 9   92  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   92  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   92  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   92  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   93  0  o 49.100  3.9432  1336.80    207.932  1189.05    293.361  1485.96    294.766  45.549  6.0995  51.286  5.3870  -5.736797      8.137816  
1 1 1 9   93  1  o 86.090  3.1468  4059.51    293.423  4077.33    421.148  4042.70    409.042  85.639  4.5568  85.329  4.4413  0.3102798      6.363104  
1 1 1 9   93  2  o 32.780  5.5248  617.111    189.177  681.510    283.386  565.343    254.081  33.663  7.9070  30.706  7.6639  2.956280       11.01162  
1 1 1 9   93  3  o 48.843  3.9589  1323.75    207.632  1476.86    310.900  1200.49    278.962  50.969  5.7312  45.893  5.7375  5.075428       8.109538  
1 1 1 9   93  4  o 75.000  3.1764  3083.05    258.029  3443.47    377.878  2768.19    353.188  78.694  4.4517  70.444  4.6553  8.249939       6.441206  
1 1 1 9   93  5  o 81.469  2.6636  3625.61    235.035  3742.89    300.047  3439.38    378.109  82.568  3.3551  78.624  4.4584  3.943176       5.579813  
1 1 1 9   93  6  o 65.703  3.4505  2379.38    244.693  2572.21    376.216  2237.99    322.139  67.600  5.1777  63.228  4.7384  4.371658       7.018632  
1 1 1 9   93  7  o 48.339  4.3486  1306.87    225.240  1123.75    350.126  1436.16    294.199  43.347  7.7415  50.235  5.4968  -6.887642      9.494532  
1 1 1 9   93  8  o 18.465  7.0664  148.223    197.402  159.440    340.695  142.554    242.201  21.979  8.9957  19.440  7.7142  2.539278       11.85040  
1 1 1 9   93  9  o 22.885  7.8330  295.249    233.645  0.0000     0.0000   295.249    233.645  ?       ?       22.885  7.8330  0.000000       7.833032  
1 1 1 9   93  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   93  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   93  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   93  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   93  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   94  0  o 60.175  3.6390  1998.22    236.056  1762.28    324.508  2263.38    344.012  55.853  5.4330  63.530  5.0409  -7.676701      7.411364  
1 1 1 9   94  1  o 26.494  6.2071  412.153    175.000  261.374    271.457  519.380    228.919  22.794  8.3763  29.522  7.2193  -6.727970      11.05805  
1 1 1 9   94  2  o 44.533  4.1417  1104.67    197.482  998.844    304.531  1181.48    259.424  41.259  7.0690  45.661  5.3469  -4.402267      8.863419  
1 1 1 9   94  3  o 70.962  3.4378  2766.05    264.224  3035.93    386.829  2530.00    361.768  73.674  4.8753  67.169  5.0087  6.504807       6.989648  
1 1 1 9   94  4  o 29.541  5.9940  509.470    185.230  565.619    291.018  471.233    240.158  30.474  8.4973  28.015  7.6839  2.459848       11.45629  
1 1 1 9   94  5  o 27.031  6.2064  430.351    177.868  563.859    283.194  343.373    228.579  30.412  8.3451  24.284  7.7240  6.127996       11.37104  
1 1 1 9   94  6  o 44.348  4.5396  1104.44    214.979  1147.45    332.205  1073.46    281.982  44.088  7.2059  43.059  6.2271  1.029045       9.523767  
1 1 1 9   94  7  o 24.848  7.0783  367.622    199.704  350.974    321.057  378.128    255.051  25.294  9.1375  25.337  8.1696  -0.4363251E-01 12.25705  
1 1 1 9   94  8  o 17.989  7.2363  108.303    216.083  -327.5573  469.781  225.262    243.355  19.288  9.0232  21.275  7.9100  -1.986828      11.99938  
1 1 1 9   94  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   94  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   94  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   94  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   94  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   95  0  o 45.356  4.0399  1144.45    196.381  1426.19    290.674  907.873    266.365  50.167  5.4366  39.529  6.4434  10.63734       8.430503  
1 1 1 9   95  1  o 46.964  4.1783  1228.83    210.317  1289.79    305.394  1173.83    290.065  47.408  6.0882  45.201  6.0790  2.207458       8.603464  
1 1 1 9   95  2  o 28.108  6.3216  465.136    187.786  544.956    280.808  400.563    252.570  29.957  8.3448  26.036  8.0971  3.920740       11.62745  
1 1 1 9   95  3  o 30.754  5.9857  551.597    192.208  761.709    306.726  415.741    246.641  35.412  8.1641  26.410  7.9619  9.002403       11.40375  
1 1 1 9   95  4  o 16.506  6.5505  93.996     174.645  39.070     279.204  129.299    223.842  18.549  7.9036  18.738  7.4222  -0.1885052     10.84235  
1 1 1 9   95  5  o 15.662  6.3571  68.535     168.383  96.016     268.274  50.672     216.293  19.215  7.9367  16.855  7.0574  2.359982       10.62062  
1 1 1 9   95  6  o 8.3908  2.8168  36.163     30.209   34.442     30.490   128.361    223.137  8.2763  2.8296  18.653  7.4037  -10.37672      7.925972  
1 1 1 9   95  7  o 27.189  2.1589  405.520    63.055   390.003    65.219   627.689    246.787  26.641  2.2823  32.292  7.2353  -5.651697      7.586752  
1 1 1 9   95  8  o 47.834  9.8262  1452.46    492.050  0.0000     0.0000   1452.46    492.050  ?       ?       47.834  9.8262  0.000000       9.826177  
1 1 1 9   95  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   95  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   95  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   95  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   96  0  o 53.493  3.8566  1586.32    221.945  1476.06    315.848  1693.88    311.944  50.837  5.8424  54.726  5.3304  -3.888924      7.908681  
1 1 1 9   96  1  o 22.990  6.9079  308.622    185.888  127.907    271.922  467.161    254.692  19.941  8.0839  27.854  8.0125  -7.912344      11.38194  
1 1 1 9   96  2  o 23.369  6.8780  320.622    185.767  406.899    278.828  251.758    249.106  26.300  8.5476  22.119  8.0398  4.180882       11.73453  
1 1 1 9   96  3  o 38.916  4.9641  858.800    204.468  1066.17    299.768  678.381    279.607  42.709  6.7009  33.465  7.8497  9.243599       10.32086  
1 1 1 9   96  4  o 17.075  1.9887  160.841    36.089   157.170    36.536   308.177    231.464  16.868  2.0414  23.285  7.7972  -6.417152      8.060019  
1 1 1 9   96  5  o 37.150  5.2282  789.110    204.550  1080.62    317.880  583.105    267.224  42.731  7.1187  30.910  7.9399  11.82083       10.66388  
1 1 1 9   96  6  o 38.738  5.7263  866.340    233.019  867.187    494.041  866.097    264.259  36.279  11.331  38.363  6.5977  -2.084713      13.11216  
1 1 1 9   96  7  o 22.495  9.6621  85.906     423.317  0.0000     0.0000   85.906     423.317  ?       ?       22.495  9.6621  0.000000       9.662069  
1 1 1 9   96  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   96  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   96  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   96  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   97  0  o 91.068  3.1812  4551.33    313.779  4324.76    447.092  4771.27    440.482  87.969  4.7095  92.692  4.3875  -4.723068      6.436587  
1 1 1 9   97  1  o 76.232  3.2729  3192.15    270.235  3270.65    387.885  3118.10    376.700  76.458  4.7068  74.660  4.6821  1.798172       6.638978  
1 1 1 9   97  2  o 48.066  4.1908  1289.89    215.991  1017.80    318.343  1521.98    294.019  41.359  7.3771  51.790  5.3169  -10.43182      9.093513  
1 1 1 9   97  3  o 16.445  6.6419  82.011     182.838  228.382    295.324  -8.9633    232.825  22.348  8.6202  16.291  7.0814  6.056629       11.15587  
1 1 1 9   97  4  o 24.305  6.7568  351.196    184.301  360.248    288.392  344.947    239.617  25.124  8.6973  24.317  7.9248  0.8062935      11.76631  
1 1 1 9   97  5  o 38.780  7.6149  906.266    308.431  825.076    470.401  967.493    408.496  35.526  11.050  39.002  9.7082  -3.475685      14.70930  
1 1 1 9   97  6  o 22.304  9.6097  74.395     421.212  0.0000     0.0000   74.395     421.212  ?       ?       22.304  9.6097  0.000000       9.609658  
1 1 1 9   97  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   97  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   97  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   97  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   98  0  o 52.611  3.8496  1537.11    217.838  1336.59    326.012  1698.85    292.798  47.981  6.4355  54.879  4.9802  -6.898048      8.137442  
1 1 1 9   98  1  o 43.069  4.5742  1044.10    210.111  1032.82    304.381  1054.36    290.395  41.841  6.9610  42.490  6.5181  -0.6486053     9.536331  
1 1 1 9   98  2  o 40.959  4.8933  950.797    212.785  889.137    325.359  996.881    281.277  38.204  8.1135  41.287  6.5053  -3.083221      10.39941  
1 1 1 9   98  3  o 77.935  3.8475  3358.73    324.772  3459.74    591.773  3315.19    388.509  76.886  7.1897  76.918  4.6858  -0.3182220E-01 8.581839  
1 1 1 9   98  4  o 46.766  2.2353  1192.99    113.222  1210.88    117.554  963.592    420.947  47.104  2.3041  38.763  9.9698  8.341476       10.23259  
1 1 1 9   98  5  o 19.930  8.7453  -7.3494    362.483  0.0000     0.0000   -7.3494    362.483  ?       ?       19.930  8.7453  0.000000       8.745295  
1 1 1 9   98  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   98  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   98  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   98  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   99  0  o 53.260  2.0214  1545.07    116.604  1625.60    126.377  1083.97    302.391  54.611  2.1366  42.970  6.7171  11.64106       7.048755  
1 1 1 9   99  1  o 13.284  6.0317  -92.9048   188.688  -335.8510  291.100  83.129     247.790  14.237  6.7904  18.367  7.6103  -4.130190      10.19930  
1 1 1 9   99  2  o 37.476  5.6134  810.030    220.839  644.837    454.899  860.967    252.603  32.002  10.930  38.373  6.2962  -6.370789      12.61362  
1 1 1 9   99  3  o 23.581  9.5033  223.645    373.411  0.0000     0.0000   223.645    373.411  ?       ?       23.581  9.5033  0.000000       9.503267  
1 1 1 9   99  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   99  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   99  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   99  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   99  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   100 0  o 37.727  6.1156  830.205    241.343  991.903    441.034  761.086    288.347  39.141  10.273  35.383  7.7394  3.757435       12.86243  
1 1 1 9   100 1  o 38.519  2.0526  810.737    85.325   811.823    87.039   783.976    432.022  38.538  2.0931  34.765  10.550  3.772770       10.75595  
1 1 1 9   100 2  o 32.174  10.372  659.013    411.106  0.0000     0.0000   659.013    411.106  ?       ?       32.174  10.372  0.000000       10.37181  
1 1 1 9   100 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   100 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   100 5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   100 6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   101 0  f 29.784  10.507  536.667    421.972  0.0000     0.0000   536.667    421.972  ?       ?       29.784  10.507  0.000000       10.50682  
1 1 1 9   101 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   101 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   101 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   101 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 9   102 0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  0   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  0   1  o 239.519 6.2000  31140.18   1605.98  31140.18   1605.98  31140.18   1605.98  239.519 6.2000  239.519 6.2000  0.000000       0.000000  
1 1 1 10  0   2  o 176.426 4.9732  16899.93   948.609  16899.93   948.609  16899.93   948.609  176.426 4.9732  176.426 4.9732  0.000000       0.000000  
1 1 1 10  0   3  o 414.230 9.8482  93153.02   4412.78  93153.02   4412.78  93153.02   4412.78  414.230 9.8482  414.230 9.8482  0.000000       0.000000  
1 1 1 10  0   4  f 140.423 4.3658  10711.26   662.552  10711.26   662.552  10711.26   662.552  140.423 4.3658  140.423 4.3658  0.000000       0.000000  
1 1 1 10  0   5  o 34.114  4.0908  657.037    145.399  657.037    145.399  657.037    145.399  34.114  4.0908  34.114  4.0908  0.000000       0.000000  
1 1 1 10  0   6  o 198.679 5.4296  21430.54   1166.43  21430.54   1166.43  21430.54   1166.43  198.679 5.4296  198.679 5.4296  0.000000       0.000000  
1 1 1 10  0   7  o 695.159 16.209  262822.19  12189.04 262822.19  12189.04 262822.19  12189.04 695.159 16.209  695.159 16.209  0.000000       0.000000  
1 1 1 10  0   8  o 212.544 5.5646  24523.38   1279.01  24523.38   1279.01  24523.38   1279.01  212.544 5.5646  212.544 5.5646  0.000000       0.000000  
1 1 1 10  0   9  o 251.589 6.4167  34364.70   1745.95  34364.70   1745.95  34364.70   1745.95  251.589 6.4167  251.589 6.4167  0.000000       0.000000  
1 1 1 10  0   10 o 182.650 5.1255  18117.16   1012.17  18117.16   1012.17  18117.16   1012.17  182.650 5.1255  182.650 5.1255  0.000000       0.000000  
1 1 1 10  0   11 o 155.897 4.6703  13202.74   786.993  13202.74   786.993  13202.74   786.993  155.897 4.6703  155.897 4.6703  0.000000       0.000000  
1 1 1 10  0   12 o 44.632  6.8337  1153.05    307.341  1153.05    307.341  1153.05    307.341  44.632  6.8337  44.632  6.8337  0.000000       0.000000  
1 1 1 10  0   13 o 84.548  5.6037  3925.37    507.980  3925.37    507.980  3925.37    507.980  84.548  5.6037  84.548  5.6037  0.000000       0.000000  
1 1 1 10  0   14 o 250.358 6.4668  34057.81   1750.91  34057.81   1750.91  34057.81   1750.91  250.358 6.4668  250.358 6.4668  0.000000       0.000000  
1 1 1 10  0   15 o 65.275  4.1362  2336.62    289.736  2336.62    289.736  2336.62    289.736  65.275  4.1362  65.275  4.1362  0.000000       0.000000  
1 1 1 10  0   16 o 164.611 4.8973  14727.99   871.395  14727.99   871.395  14727.99   871.395  164.611 4.8973  164.611 4.8973  0.000000       0.000000  
1 1 1 10  0   17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  0   18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  0   19 o 231.258 8.7575  29224.05   2186.40  29224.05   2186.40  29224.05   2186.40  231.258 8.7575  231.258 8.7575  0.000000       0.000000  
1 1 1 10  0   20 o 26.680  1.6104  389.758    46.149   389.758    46.149   389.758    46.149   26.680  1.6104  26.680  1.6104  0.000000       0.000000  
1 1 1 10  0   21 o 14.434  8.9866  72.420     284.295  72.420     284.295  72.420     284.295  14.434  8.9866  14.434  8.9866  0.000000       0.000000  
1 1 1 10  0   22 o 90.196  3.7096  4436.26    361.008  4436.26    361.008  4436.26    361.008  90.196  3.7096  90.196  3.7096  0.000000       0.000000  
1 1 1 10  0   23 o 163.087 5.0139  14512.97   883.753  14512.97   883.753  14512.97   883.753  163.087 5.0139  163.087 5.0139  0.000000       0.000000  
1 1 1 10  0   24 o 18.985  10.089  289.349    280.139  289.349    280.139  289.349    280.139  18.985  10.089  18.985  10.089  0.000000       0.000000  
1 1 1 10  0   25 o 17.981  9.6433  258.831    258.134  258.831    258.134  258.831    258.134  17.981  9.6433  17.981  9.6433  0.000000       0.000000  
1 1 1 10  0   26 o 62.561  5.0771  2182.18    338.809  2182.18    338.809  2182.18    338.809  62.561  5.0771  62.561  5.0771  0.000000       0.000000  
1 1 1 10  0   27 o 35.068  9.2089  809.474    302.211  809.474    302.211  809.474    302.211  35.068  9.2089  35.068  9.2089  0.000000       0.000000  
1 1 1 10  0   28 o 18.250  10.543  253.161    337.265  253.161    337.265  253.161    337.265  18.250  10.543  18.250  10.543  0.000000       0.000000  
1 1 1 10  0   29 o 23.940  11.556  497.410    348.242  497.410    348.242  497.410    348.242  23.940  11.556  23.940  11.556  0.000000       0.000000  
1 1 1 10  0   30 o 81.776  5.2746  3756.47    462.727  3756.47    462.727  3756.47    462.727  81.776  5.2746  81.776  5.2746  0.000000       0.000000  
1 1 1 10  0   31 o 31.633  11.583  804.233    366.261  804.233    366.261  804.233    366.261  31.633  11.583  31.633  11.583  0.000000       0.000000  
1 1 1 10  0   32 o 11.255  7.8378  -230.1752  342.559  -230.1752  342.559  -230.1752  342.559  11.255  7.8378  11.255  7.8378  0.000000       0.000000  
1 1 1 10  0   33 o 16.152  10.133  196.781    368.549  196.781    368.549  196.781    368.549  16.152  10.133  16.152  10.133  0.000000       0.000000  
1 1 1 10  0   34 o 12.306  8.4409  -105.4565  361.645  -105.4565  361.645  -105.4565  361.645  12.306  8.4409  12.306  8.4409  0.000000       0.000000  
1 1 1 10  1   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  1   1  o 741.971 24.587  300940.69  19758.59 0.0000     0.0000   300940.69  19758.59 ?       ?       741.971 24.587  0.000000       24.58661  
1 1 1 10  1   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  1   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  1   4  o 765.492 25.379  320763.69  21041.76 0.0000     0.0000   320763.69  21041.76 ?       ?       765.492 25.379  0.000000       25.37880  
1 1 1 10  1   5  o 496.500 8.3051  133660.09  4466.15  128633.20  6315.90  138687.59  6316.28  486.757 11.980  505.468 11.537  -18.71143      16.63199  
1 1 1 10  1   6  o 428.094 7.2352  99343.99   3354.74  96647.91   4744.09  102040.60  4744.56  422.027 10.379  433.664 10.101  -11.63708      14.48277  
1 1 1 10  1   7  o 797.186 13.032  345341.31  11252.53 358431.59  15913.71 332251.91  15913.24 810.861 18.120  780.483 18.825  30.37799       26.12842  
1 1 1 10  1   8  o 517.840 8.6172  145467.50  4833.16  148147.09  6835.25  142788.00  6834.99  522.162 12.086  512.598 12.311  9.563232       17.25189  
1 1 1 10  1   9  o 267.427 4.7804  38754.34   1384.65  39799.79   1958.38  37709.30   1957.99  270.930 6.6737  263.710 6.8551  7.220093       9.567176  
1 1 1 10  1   10 o 193.083 3.7393  20198.91   782.002  20494.23   1105.92  19903.58   1105.92  194.447 5.2511  191.622 5.3285  2.825058       7.481138  
1 1 1 10  1   11 o 423.937 6.9604  97513.78   3196.00  103782.00  4521.06  91252.30   4518.61  436.985 9.5522  409.658 10.184  27.32672       13.96266  
1 1 1 10  1   12 o 435.438 8.3970  103027.60  3960.25  92268.40   6856.93  108413.00  4851.15  410.442 15.424  446.353 10.035  -35.91095      18.40118  
1 1 1 10  1   13 o 185.534 7.3367  18698.87   1474.33  18698.87   1474.33  0.0000     0.0000   185.534 7.3367  ?       ?       0.000000       7.336698  
1 1 1 10  1   14 o 144.571 3.2760  11326.77   512.977  11126.99   700.313  11558.06   753.526  143.246 4.5138  145.983 4.7657  -2.737305      6.563978  
1 1 1 10  1   15 o 165.071 3.4314  14769.40   613.488  14915.37   870.196  14625.16   865.033  165.812 4.8454  164.190 4.8643  1.622131       6.865798  
1 1 1 10  1   16 o 80.983  2.9490  3554.22    258.669  3291.69    370.649  3803.49    361.162  77.774  4.4183  83.750  3.9815  -5.975090      5.947566  
1 1 1 10  1   17 o 227.311 6.8853  28105.71   1695.16  28271.63   2097.05  27792.87   2879.49  227.718 8.5024  224.768 11.870  2.949966       14.60104  
1 1 1 10  1   18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  1   19 o 178.092 5.1963  17233.86   1002.32  18336.78   1433.91  16180.05   1401.63  183.417 7.2180  172.247 7.5130  11.17006       10.41844  
1 1 1 10  1   20 o 122.495 3.2423  8138.96    430.178  8510.74    608.918  7768.53    607.811  125.170 4.4915  119.571 4.6932  5.599152       6.496133  
1 1 1 10  1   21 o 107.804 3.2036  6306.46    374.060  6253.81    524.560  6360.93    533.557  107.247 4.5159  108.158 4.5546  -0.9108658     6.413855  
1 1 1 10  1   22 o 122.821 3.2043  8192.16    426.266  8096.06    602.988  8288.16    602.675  121.922 4.5662  123.369 4.5103  -1.446495      6.418195  
1 1 1 10  1   23 o 80.805  3.2993  3550.67    288.759  3408.32    409.037  3692.09    407.702  78.843  4.8130  82.113  4.6027  -3.270073      6.659535  
1 1 1 10  1   24 o 94.068  3.1527  4816.25    321.214  4694.85    450.927  4941.32    457.678  92.636  4.4942  95.047  4.4458  -2.410805      6.321667  
1 1 1 10  1   25 o 58.341  3.6775  1866.03    231.192  1676.76    320.703  2070.82    333.586  54.876  5.4686  61.144  5.0832  -6.268383      7.466243  
1 1 1 10  1   26 o 49.557  4.0600  1356.04    216.011  1386.13    305.680  1326.01    305.292  49.626  5.7963  48.479  5.9384  1.146996       8.298304  
1 1 1 10  1   27 o 44.992  2.0237  1100.56    98.616   1129.58    104.016  842.601    310.109  45.573  2.1073  37.729  7.8445  7.843952       8.122562  
1 1 1 10  1   28 o 21.207  2.6859  249.486    60.311   233.335    61.244   767.453    346.837  20.469  2.8389  35.294  9.0347  -14.82554      9.470232  
1 1 1 10  1   29 f 44.806  5.4611  1149.26    259.544  1110.86    367.756  1187.36    366.351  42.647  8.2600  44.318  7.9229  -1.670925      11.44552  
1 1 1 10  1   30 o 36.538  2.2994  732.751    90.534   736.454    93.488   676.920    363.016  36.616  2.3700  32.197  9.6488  4.418381       9.935571  
1 1 1 10  1   31 o 22.146  8.0513  291.085    249.840  360.031    354.759  223.241    351.912  24.483  9.4467  22.085  9.1028  2.397507       13.11876  
1 1 1 10  1   32 o 30.924  7.8448  646.560    263.161  686.880    372.387  606.336    371.945  30.125  9.8824  28.416  9.8749  1.709488       13.97050  
1 1 1 10  1   33 o 28.323  8.1827  573.949    265.114  493.253    372.933  656.394    376.955  25.406  9.7151  28.555  9.9402  -3.148806      13.89929  
1 1 1 10  1   34 o 15.094  6.9172  -41.8052   255.644  46.382     363.146  -128.4453  359.945  18.200  8.3041  16.427  7.7510  1.773808       11.35938  
1 1 1 10  2   0  o 787.618 26.087  339479.81  22253.80 339479.81  22253.80 0.0000     0.0000   787.618 26.087  ?       ?       0.000000       26.08666  
1 1 1 10  2   1  o 311.209 5.4201  52473.99   1826.97  52109.75   2583.72  52838.23   2583.75  310.056 7.6937  312.217 7.6405  -2.161682      10.84300  
1 1 1 10  2   2  o 353.193 6.0733  67595.57   2323.31  66329.52   3285.57  68861.75   3285.73  349.764 8.6729  356.386 8.5122  -6.621643      12.15223  
1 1 1 10  2   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  2   4  o 245.836 4.4706  32739.78   1190.38  32981.32   1683.66  32498.35   1683.24  246.700 6.3011  244.886 6.3462  1.814148       8.943013  
1 1 1 10  2   5  o 415.558 7.0158  93600.27   3157.75  87596.52   4465.38  99605.94   4466.10  401.812 10.260  428.520 9.6225  -26.70712      14.06657  
1 1 1 10  2   6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  2   7  o 475.915 7.9825  122817.40  4114.69  122778.40  5818.90  122856.40  5819.20  475.533 11.298  475.684 11.295  -0.1511841     15.97525  
1 1 1 10  2   8  o 393.250 6.6595  83833.23   2836.46  80572.49   4011.08  87094.91   4011.65  385.315 9.6111  400.638 9.2449  -15.32385      13.33573  
1 1 1 10  2   9  o 438.286 7.3813  104183.80  3503.98  101061.70  4955.35  107305.80  4955.38  431.329 10.607  444.494 10.293  -13.16476      14.78025  
1 1 1 10  2   10 o 188.714 3.6515  19294.72   746.355  18969.62   1054.79  19620.70   1056.22  187.076 5.2057  190.262 5.1255  -3.185898      7.305459  
1 1 1 10  2   11 o 88.548  2.6154  4247.33    250.837  4824.67    364.473  3727.80    345.743  94.364  3.5661  82.943  3.8486  11.42068       5.246774  
1 1 1 10  2   12 o 91.185  3.0506  4504.89    301.291  3865.30    509.056  4849.75    373.792  84.234  5.6118  94.602  3.6480  -10.36845      6.693310  
1 1 1 10  2   13 o 241.709 6.2466  31709.64   1635.34  31709.64   1635.34  0.0000     0.0000   241.709 6.2466  ?       ?       0.000000       6.246610  
1 1 1 10  2   14 o 64.899  3.2126  2282.50    225.825  1931.21    374.337  2483.48    283.152  59.359  5.9007  67.574  3.8851  -8.215862      7.064853  
1 1 1 10  2   15 o 214.633 4.0707  24978.89   946.312  24409.42   1339.86  25545.69   1336.72  212.034 5.8342  216.926 5.6893  -4.892517      8.149009  
1 1 1 10  2   16 o 108.557 4.0889  6390.88    480.767  6375.39    678.289  6406.53    681.537  108.193 5.8095  108.456 5.8231  -0.2632065     8.225501  
1 1 1 10  2   17 o 23.341  8.0418  268.901    246.417  355.041    317.985  139.411    389.872  26.674  9.1380  24.065  9.7062  2.608559       13.33091  
1 1 1 10  2   18 o 117.562 3.6772  7495.42    468.225  8066.93    833.916  7232.29    565.836  121.627 6.3523  115.438 4.5255  6.188309       7.799535  
1 1 1 10  2   19 o 150.350 5.1639  12282.47   840.920  13457.25   1284.94  11402.37   1112.16  157.080 7.5525  144.650 7.0987  12.42992       10.36494  
1 1 1 10  2   20 o 23.963  8.6250  264.419    285.717  369.545    442.183  189.067    374.363  29.006  10.686  24.453  9.6264  4.553568       14.38246  
1 1 1 10  2   21 o 36.529  5.8103  745.077    222.183  595.549    309.636  903.786    319.001  32.367  8.6618  39.974  7.6465  -7.607903      11.55403  
1 1 1 10  2   22 o 61.205  3.7683  2044.22    248.592  2625.23    351.966  1465.86    351.161  69.256  4.7203  51.345  6.4574  17.91130       7.998695  
1 1 1 10  2   23 o 69.983  2.5747  2659.01    195.158  2639.75    364.916  2666.73    230.962  69.335  4.8907  70.050  3.0441  -0.7150345     5.760674  
1 1 1 10  2   24 o 85.787  3.1816  4005.99    295.626  3870.76    410.560  4151.61    426.026  83.988  4.5300  86.989  4.5375  -3.000046      6.411639  
1 1 1 10  2   25 o 32.057  5.9370  585.829    198.546  526.213    270.460  655.508    292.396  30.044  8.1187  33.462  8.1445  -3.418364      11.49984  
1 1 1 10  2   26 o 86.112  3.1730  4047.85    295.937  3928.79    416.818  4168.86    420.240  84.357  4.5792  86.939  4.4781  -2.581947      6.404836  
1 1 1 10  2   27 o 54.115  2.2434  1593.62    131.493  1676.76    144.788  1202.28    314.129  55.488  2.4091  45.788  6.5181  9.700386       6.949095  
1 1 1 10  2   28 o 32.574  7.1513  630.828    245.391  342.623    340.572  941.997    353.880  25.536  9.3825  39.370  8.5443  -13.83378      12.69000  
1 1 1 10  2   29 o 35.037  1.5069  667.025    57.184   582.959    341.487  669.451    58.003   30.540  9.4015  35.099  1.5258  -4.559052      9.524488  
1 1 1 10  2   30 o 41.015  5.9973  986.602    258.548  1099.69    364.460  872.035    366.834  41.975  8.3106  36.719  9.2332  5.256428       12.42252  
1 1 1 10  2   31 o 38.535  6.5716  911.841    264.441  873.734    373.387  950.189    374.569  35.462  9.5209  37.215  9.3146  -1.753223      13.31955  
1 1 1 10  2   32 o 28.044  8.1340  541.373    261.507  768.162    369.455  313.671    370.199  31.974  9.7683  23.001  9.3913  8.972589       13.55054  
1 1 1 10  2   33 o 18.879  7.7834  176.217    257.368  -153.3470  365.701  499.623    362.269  16.724  7.8673  25.556  9.6214  -8.831999      12.42840  
1 1 1 10  2   34 o 23.656  8.3350  419.299    265.476  556.989    372.595  277.321    378.351  25.688  9.7374  21.190  9.1186  4.498774       13.34039  
1 1 1 10  3   0  o 453.978 7.6237  111711.80  3748.60  112099.90  5301.35  111323.70  5301.28  454.562 10.768  452.983 10.805  1.579376       15.25429  
1 1 1 10  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  3   2  o 528.863 10.065  151713.00  5765.58  151628.41  7061.26  151882.30  9986.59  528.504 12.336  528.311 17.452  0.1927490      21.37193  
1 1 1 10  3   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  3   4  o 359.488 6.1753  70030.70   2404.45  70789.30   3400.40  69272.11   3400.41  361.317 8.6890  357.419 8.7838  3.897888       12.35536  
1 1 1 10  3   5  o 791.666 26.258  343515.00  22515.38 0.0000     0.0000   343515.00  22515.38 ?       ?       791.666 26.258  0.000000       26.25831  
1 1 1 10  3   6  o 581.641 9.6809  183532.09  6098.78  190278.59  8625.08  176786.00  8624.87  591.753 13.457  570.312 13.963  21.44006       19.39206  
1 1 1 10  3   7  o 415.364 7.0323  93526.52   3163.72  91790.17   4473.90  95263.30   4474.44  411.276 10.043  419.000 9.8595  -7.724152      14.07411  
1 1 1 10  3   8  o 516.766 8.6270  144866.91  4828.61  147593.70  6828.85  142140.41  6828.51  521.177 12.097  511.425 12.327  9.751831       17.27175  
1 1 1 10  3   9  o 198.476 3.8237  21341.84   821.986  21532.72   1162.88  21151.23   1162.04  199.323 5.3865  197.548 5.4310  1.774857       7.649220  
1 1 1 10  3   10 f 551.397 9.1885  165108.41  5487.58  159707.41  7760.43  170509.91  7760.79  541.502 13.232  559.617 12.804  -18.11530      18.41248  
1 1 1 10  3   11 o 357.627 5.9536  69359.69   2306.10  74070.79   3263.04  64658.49   3259.61  369.347 8.1568  345.018 8.7228  24.32858       11.94234  
1 1 1 10  3   12 o 125.261 4.1201  8504.12    558.973  7954.85    786.474  9064.80    794.604  121.093 5.9964  129.277 5.6749  -8.184059      8.256007  
1 1 1 10  3   13 o 98.667  3.2551  5275.30    347.857  5319.06    430.131  5192.57    591.403  99.060  4.0090  97.671  5.6141  1.388710       6.898513  
1 1 1 10  3   14 o 191.582 4.2836  19900.55   888.867  18217.97   1531.48  20755.27   1091.53  183.058 7.7242  195.600 5.1522  -12.54204      9.284830  
1 1 1 10  3   15 o 280.305 7.0870  42710.67   2151.61  44020.57   3042.29  41399.83   3043.39  284.066 9.8880  275.416 10.202  8.650391       14.20776  
1 1 1 10  3   16 o 276.604 7.0115  41605.24   2100.58  41541.66   2970.10  41668.86   2971.25  275.820 9.9420  276.244 9.9306  -0.4245911     14.05207  
1 1 1 10  3   17 f 188.508 4.3082  19277.59   879.614  18434.21   1518.09  19703.84   1079.24  184.000 7.6174  190.503 5.2306  -6.502472      9.240356  
1 1 1 10  3   18 o 207.407 4.0249  23336.16   904.172  23062.35   1279.29  23609.47   1278.10  206.006 5.7335  208.444 5.6612  -2.438293      8.057385  
1 1 1 10  3   19 o 166.411 5.0048  15043.82   902.073  16167.92   1294.34  13982.14   1257.89  172.270 6.9370  160.158 7.2514  12.11169       10.03517  
1 1 1 10  3   20 o 89.877  4.5588  4399.62    442.332  4964.85    649.087  3909.54    604.404  95.253  6.3275  84.423  6.6641  10.82971       9.189559  
1 1 1 10  3   21 o 177.393 3.6687  17087.04   704.896  17666.96   994.441  16501.40   999.325  180.157 5.0963  174.076 5.3003  6.080521       7.352923  
1 1 1 10  3   22 o 135.547 3.2472  9978.72    476.724  10764.25   677.480  9208.27    670.947  140.603 4.4487  129.992 4.7654  10.61040       6.519208  
1 1 1 10  3   23 o 38.533  5.0067  824.995    204.019  609.487    279.029  1072.57    299.066  32.523  7.9808  43.695  6.5186  -11.17206      10.30466  
1 1 1 10  3   24 o 57.232  3.7665  1794.18    232.171  1739.79    319.654  1854.91    337.774  56.034  5.3312  57.844  5.4558  -1.809818      7.628072  
1 1 1 10  3   25 o 92.039  3.1594  4616.31    314.957  4543.76    438.096  4693.92    453.116  91.036  4.4431  92.507  4.5223  -1.471626      6.339792  
1 1 1 10  3   26 o 39.311  5.0062  866.383    208.315  1013.05    287.458  704.170    302.307  42.104  6.5137  34.499  8.2093  7.605274       10.47960  
1 1 1 10  3   27 o 42.379  5.0554  1009.59    227.465  1057.98    306.163  949.965    339.832  42.783  6.8374  40.006  8.1202  2.777054       10.61547  
1 1 1 10  3   28 o 17.940  7.4237  73.528     235.344  116.515    322.624  24.638     344.064  21.005  8.6919  20.121  8.6770  0.8841782      12.28170  
1 1 1 10  3   29 o 20.747  7.8309  205.912    240.322  292.138    331.152  109.972    349.308  24.118  9.1708  21.287  8.9438  2.830944       12.81000  
1 1 1 10  3   30 o 22.804  1.3002  283.404    31.980   -405.0287  333.837  289.780    32.128   14.835  7.1280  23.061  1.2915  -8.225963      7.244077  
1 1 1 10  3   31 o 21.607  8.0157  268.934    249.630  419.454    349.424  112.037    356.749  25.573  9.4842  20.485  8.8348  5.088226       12.96158  
1 1 1 10  3   32 o 49.608  5.2620  1469.56    278.418  1802.21    392.920  1134.10    394.571  53.209  6.9867  39.732  9.3283  13.47678       11.65470  
1 1 1 10  3   33 f 30.478  8.0215  655.432    268.401  727.694    380.236  583.670    378.920  29.990  9.9931  27.071  9.9042  2.919302       14.06965  
1 1 1 10  3   34 o 28.238  8.3163  601.112    271.509  766.472    383.487  434.911    384.459  29.679  10.036  23.529  9.5846  6.149393       13.87740  
1 1 1 10  4   0  o 387.372 6.5940  81318.25   2766.60  79957.02   3912.57  82679.48   3912.56  383.982 9.4076  390.473 9.2512  -6.491211      13.19428  
1 1 1 10  4   1  o 337.888 5.7681  61859.99   2110.94  65815.59   2985.78  57906.79   2984.87  348.444 7.9114  326.816 8.4324  21.62708       11.56271  
1 1 1 10  4   2  o 293.703 5.1862  46735.09   1649.78  46782.71   2333.14  46687.45   2333.16  293.790 7.3322  293.491 7.3397  0.2995300      10.37459  
1 1 1 10  4   3  o 583.093 11.193  184502.00  7069.02  190229.59  8657.76  173046.91  12243.88 591.800 13.507  563.435 20.063  28.36523       24.18638  
1 1 1 10  4   4  o 481.708 8.1083  125802.30  4230.44  126329.10  5982.75  125275.50  5982.75  482.450 11.449  480.430 11.497  2.020477       16.22581  
1 1 1 10  4   5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  4   6  o 813.537 27.010  363335.00  23800.05 363335.00  23800.05 0.0000     0.0000   813.537 27.010  ?       ?       0.000000       27.01037  
1 1 1 10  4   7  o 468.907 7.8518  119222.80  3987.71  114341.60  5639.35  124104.40  5639.60  458.894 11.346  478.133 10.890  -19.23904      15.72663  
1 1 1 10  4   8  o 607.255 10.017  200165.50  6588.50  193984.41  9317.52  206346.70  9317.58  597.068 14.408  615.888 13.968  -18.81982      20.06728  
1 1 1 10  4   9  o 241.135 4.4025  31505.90   1149.81  30508.63   1626.27  32502.67   1625.87  237.220 6.3295  244.858 6.1306  -7.638046      8.811749  
1 1 1 10  4   10 f 151.956 3.2202  12509.02   529.993  12634.56   750.408  12384.07   748.642  152.691 4.5375  151.169 4.5724  1.521973       6.441692  
1 1 1 10  4   11 f 292.318 5.9250  46340.19   1875.92  47544.41   3247.58  45737.20   2298.09  295.695 10.140  290.305 7.3087  5.390442       12.49963  
1 1 1 10  4   12 o 275.210 5.5484  41078.54   1653.88  42910.31   2026.66  37426.66   2861.56  281.188 6.6545  262.245 10.075  18.94260       12.07389  
1 1 1 10  4   13 o 296.936 6.0176  47848.21   1935.35  49281.30   2371.29  44989.13   3349.35  301.207 7.2686  287.274 10.765  13.93268       12.98872  
1 1 1 10  4   14 o 210.603 5.6801  24070.33   1295.66  23480.27   1833.13  24659.37   1831.54  207.775 8.1457  212.951 7.9408  -5.175751      11.37585  
1 1 1 10  4   15 o 61.077  4.1872  2032.38    275.326  2234.13    394.239  1840.29    384.676  63.892  5.7588  57.877  6.2349  6.015285       8.487522  
1 1 1 10  4   16 o 117.309 4.1896  7463.58    532.321  7417.60    751.734  7509.82    753.904  116.707 5.9669  117.435 5.9466  -0.7273254     8.424119  
1 1 1 10  4   17 o 296.487 5.2403  47727.14   1682.80  47885.24   2382.47  47569.74   2377.21  296.596 7.4164  295.616 7.4246  0.9803772      10.49411  
1 1 1 10  4   18 o 223.708 4.2193  27153.09   1022.34  25712.41   1448.30  28583.88   1443.33  217.462 6.1490  229.332 5.8107  -11.87033      8.460179  
1 1 1 10  4   19 o 198.612 3.9094  21403.12   840.985  21517.95   1188.29  21287.88   1190.38  198.956 5.5143  197.884 5.5540  1.071884       7.826536  
1 1 1 10  4   20 o 105.626 4.4551  6060.34    509.684  6700.48    739.035  5479.69    703.856  110.739 6.1863  100.056 6.5307  10.68342       8.995593  
1 1 1 10  4   21 o 201.286 5.6100  22078.66   1223.06  22819.86   1737.57  21350.80   1721.86  204.027 7.8629  197.290 8.0579  6.736542       11.25857  
1 1 1 10  4   22 o 178.457 3.6930  17311.79   713.817  17174.45   1006.19  17450.96   1012.82  177.411 5.2363  178.836 5.2289  -1.424393      7.400027  
1 1 1 10  4   23 o 73.398  3.3162  2929.81    263.628  2909.19    364.273  2952.50    382.012  72.849  4.6409  73.353  4.8354  -0.5045166     6.702139  
1 1 1 10  4   24 o 98.491  3.1329  5279.60    334.210  4804.88    465.723  5783.63    479.883  93.692  4.5894  102.857 4.3076  -9.165611      6.294261  
1 1 1 10  4   25 o 134.768 3.2636  9901.87    476.374  9497.56    667.643  10321.18   679.915  131.523 4.6868  137.150 4.5771  -5.627579      6.550971  
1 1 1 10  4   26 o 83.074  3.2420  3768.73    291.705  3670.06    404.543  3875.59    421.018  81.514  4.6009  83.751  4.6597  -2.237122      6.548344  
1 1 1 10  4   27 o 46.982  2.0006  1200.04    101.805  1018.13    305.409  1222.78    107.980  41.899  6.9752  47.416  2.1026  -5.517288      7.285219  
1 1 1 10  4   28 o 88.569  3.4238  4308.56    328.439  4445.03    441.964  4140.23    490.835  89.359  4.5818  85.837  5.3055  3.522621       7.010110  
1 1 1 10  4   29 o 24.340  8.0114  346.346    244.656  433.971    336.213  247.725    356.686  27.122  9.3907  23.695  9.3746  3.426750       13.26909  
1 1 1 10  4   30 o 54.532  4.4300  1678.08    259.393  1783.08    389.826  1594.64    347.488  54.863  6.6995  52.118  6.2824  2.744957       9.184314  
1 1 1 10  4   31 o 45.847  5.5305  1243.62    269.079  826.396    378.932  1667.99    382.158  34.246  9.7484  51.971  6.9642  -17.72532      11.98049  
1 1 1 10  4   32 o 27.171  8.1555  508.681    259.199  448.732    362.751  571.216    370.497  25.309  9.6044  27.689  9.8368  -2.380053      13.74801  
1 1 1 10  4   33 o 23.547  8.2571  389.904    260.340  445.511    364.860  332.228    371.586  24.539  9.5489  22.655  9.3476  1.883947       13.36259  
1 1 1 10  4   34 o 28.612  8.2646  614.279    270.472  609.230    384.905  619.203    380.150  26.528  9.9311  26.769  9.8994  -0.2412796     14.02232  
1 1 1 10  5   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  5   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  5   2  o 51.809  2.4609  1453.78    138.092  1486.81    196.992  1421.87    193.635  52.275  3.4995  51.114  3.5191  1.160854       4.962872  
1 1 1 10  5   3  o 711.908 13.604  275295.19  10489.38 293456.31  18167.58 266213.81  12847.00 732.998 22.884  699.484 16.957  33.51355       28.48165  
1 1 1 10  5   4  o 461.029 7.6564  115219.50  3823.15  112112.80  5406.56  118326.80  5406.94  454.533 10.982  466.984 10.690  -12.45157      15.32592  
1 1 1 10  5   5  o 616.315 11.875  206217.41  7927.16  199165.59  9708.29  220325.20  13731.54 605.268 14.809  635.611 19.946  -30.34320      24.84255  
1 1 1 10  5   6  o 136.773 3.0038  10132.43   444.983  9564.92    630.794  10694.60   627.820  132.874 4.3830  140.505 4.1255  -7.630692      6.019174  
1 1 1 10  5   7  o 576.679 9.3850  180423.50  5861.92  179819.09  8289.97  181028.00  8290.03  575.188 13.307  577.126 13.262  -1.937256      18.78712  
1 1 1 10  5   8  o 62.832  2.5153  2138.28    171.173  2271.72    249.232  2019.13    235.502  64.659  3.5727  60.946  3.5834  3.713074       5.060092  
1 1 1 10  5   9  o 288.407 5.0533  45077.73   1578.51  45112.78   2232.75  45042.71   2231.95  288.417 7.1474  288.193 7.1504  0.2242737      10.11010  
1 1 1 10  5   10 o 280.824 4.9815  42743.25   1515.17  43564.90   2143.66  41922.95   2141.89  283.398 6.9837  277.997 7.1135  5.400330       9.968714  
1 1 1 10  5   11 o 191.893 4.2539  19956.05   884.142  19017.72   1526.10  20430.11   1084.73  187.183 7.5274  194.126 5.1590  -6.942947      9.125665  
1 1 1 10  5   12 o 320.696 6.4686  55809.98   2246.86  55030.33   2752.03  57368.64   3891.13  318.279 7.9832  324.507 11.071  -6.228485      13.64898  
1 1 1 10  5   13 o 151.539 3.7567  12446.36   616.604  12802.77   754.932  11732.13   1068.70  153.665 4.5359  146.996 6.7124  6.668793       8.101291  
1 1 1 10  5   14 o 277.357 6.9856  41793.17   2098.53  39795.51   2966.18  43795.11   2969.35  270.172 10.136  283.509 9.6700  -13.33691      14.00917  
1 1 1 10  5   15 o 293.017 7.3425  46686.28   2330.28  46227.24   3294.16  47146.07   3296.88  290.969 10.453  293.868 10.358  -2.899109      14.71560  
1 1 1 10  5   16 o 279.481 5.0332  42390.89   1523.59  42621.96   2156.23  42160.49   2153.14  279.944 7.1114  278.420 7.1401  1.524353       10.07732  
1 1 1 10  5   17 o 63.659  3.2316  2202.42    222.089  2241.29    322.698  2167.45    306.119  64.097  4.6806  63.043  4.5130  1.053677       6.501975  
1 1 1 10  5   18 o 194.541 3.8119  20527.39   803.200  21443.24   1139.25  19622.22   1132.57  198.692 5.2938  190.045 5.5022  8.646500       7.635379  
1 1 1 10  5   19 o 99.316  3.1235  5348.23    335.998  5328.59    473.013  5368.24    477.362  99.074  4.4080  99.440  4.4322  -0.3666458     6.250972  
1 1 1 10  5   20 o 132.581 3.7688  9539.95    541.191  9906.44    940.938  9358.77    661.570  134.821 6.4437  131.240 4.6541  3.580627       7.948690  
1 1 1 10  5   21 o 165.932 5.0367  14986.34   905.209  15512.96   1290.14  14475.71   1270.41  168.410 7.0729  162.650 7.2114  5.759460       10.10101  
1 1 1 10  5   22 f 143.055 4.6928  11150.61   727.122  11532.81   1025.61  10764.37   1031.02  145.073 6.5272  140.088 6.7951  4.985275       9.422172  
1 1 1 10  5   23 o 83.338  3.2311  3776.42    291.649  3632.87    402.608  3934.92    423.059  81.448  4.5825  84.768  4.6253  -3.319832      6.510985  
1 1 1 10  5   24 o 107.831 2.9525  6325.04    344.829  6415.24    510.129  6249.16    467.924  108.316 4.3483  106.975 4.0385  1.340714       5.934399  
1 1 1 10  5   25 o 145.590 3.3720  11561.51   531.723  11559.11   746.201  11564.00   757.875  145.066 4.7492  145.065 4.8235  0.1541138E-02  6.769141  
1 1 1 10  5   26 o 30.044  6.6135  524.276    209.379  614.839    294.454  431.650    297.787  32.212  8.3652  27.517  8.8228  4.695440       12.15807  
1 1 1 10  5   27 o 19.143  7.1964  162.607    202.524  29.792     272.797  325.697    302.293  18.392  7.8239  24.892  8.8809  -6.500017      11.83567  
1 1 1 10  5   28 o 86.655  3.5745  4129.67    335.491  3947.63    468.919  4320.58    480.194  83.873  5.1873  87.827  5.0696  -3.953453      7.253162  
1 1 1 10  5   29 o ?       ?       -161.0417  32.558   -162.6049  32.708   8.5867     340.711  ?       ?       19.606  8.5439  0.000000       8.543883  
1 1 1 10  5   30 o 13.650  2.4613  105.065    35.051   -42.3220   342.172  106.628    35.236   18.718  8.3409  13.755  2.4552  4.962961       8.694701  
1 1 1 10  5   31 o 35.559  6.5200  778.626    241.858  654.637    315.943  954.133    375.894  31.001  8.9259  37.223  9.3391  -6.221956      12.91861  
1 1 1 10  5   32 o 53.968  4.6212  1701.66    267.520  1794.20    356.038  1581.68    405.413  53.904  6.2119  48.792  7.9448  5.111759       10.08504  
1 1 1 10  5   33 o 35.645  7.2484  849.877    270.311  363.663    381.738  1338.85    382.818  23.191  9.5104  43.603  8.4107  -20.41268      12.69598  
1 1 1 10  5   34 o 25.610  8.3535  498.118    266.216  240.779    373.302  764.429    379.753  20.646  8.9705  29.695  9.9871  -9.048578      13.42429  
1 1 1 10  6   0  o 522.363 8.7073  147943.50  4926.34  147498.70  6966.93  148388.30  6966.85  521.268 12.340  522.841 12.303  -1.573303      17.42487  
1 1 1 10  6   1  o 357.321 6.1700  69185.71   2387.88  66446.71   3376.91  71924.93   3377.04  350.064 8.9064  364.225 8.5604  -14.16199      12.35333  
1 1 1 10  6   2  o 481.065 8.0155  125456.10  4176.44  131782.20  5906.66  119131.30  5906.10  492.815 11.066  468.515 11.639  24.30014       16.05976  
1 1 1 10  6   3  o 472.708 7.8459  121133.40  4017.02  123053.20  5681.06  119213.80  5680.80  476.206 11.014  468.703 11.190  7.502808       15.70165  
1 1 1 10  6   4  f 167.798 3.4138  15251.12   620.441  15628.83   876.644  14872.03   878.231  169.848 4.7653  165.683 4.8940  4.165070       6.830771  
1 1 1 10  6   5  o 552.598 9.1964  165619.30  5504.26  162951.00  7783.91  168288.09  7784.49  547.703 13.121  556.627 12.912  -8.924072      18.40907  
1 1 1 10  6   6  o 558.005 9.2247  168895.41  5575.20  164777.30  7884.39  173013.80  7884.67  550.692 13.219  564.332 12.900  -13.63995      18.46984  
1 1 1 10  6   7  o 241.060 4.4277  31482.38   1156.03  31229.72   1634.70  31735.16   1635.05  240.042 6.2876  241.978 6.2386  -1.936203      8.857388  
1 1 1 10  6   8  o 316.276 5.3706  54208.41   1839.73  55954.41   2602.59  52464.60   2600.96  321.226 7.4804  311.034 7.7207  10.19193       10.75013  
1 1 1 10  6   9  f 194.681 3.7657  20533.48   794.037  20781.64   1123.10  20285.45   1122.78  195.816 5.2954  193.462 5.3583  2.353622       7.533442  
1 1 1 10  6   10 o 282.648 5.1856  43303.73   1587.51  45753.10   2095.13  40001.64   2432.64  290.447 6.6600  271.469 8.2735  18.97806       10.62102  
1 1 1 10  6   11 f 619.990 14.604  209962.50  9806.72  207554.50  13868.76 212370.59  13868.83 613.696 20.865  620.900 20.623  -7.203308      29.33668  
1 1 1 10  6   12 o 111.988 3.3370  6795.50    404.762  6585.97    494.249  7222.19    705.313  110.232 4.1397  115.392 5.6433  -5.159897      6.998891  
1 1 1 10  6   13 o 123.129 4.1966  8218.64    559.657  8139.60    790.597  8298.04    792.356  122.472 5.9600  123.660 5.9159  -1.188042      8.397624  
1 1 1 10  6   14 o 67.412  3.8984  2471.72    283.427  2502.40    393.716  2438.72    408.336  67.695  5.4151  66.793  5.6990  0.9028854      7.861360  
1 1 1 10  6   15 o 100.400 3.2524  5463.30    353.681  5153.30    601.890  5626.80    437.109  97.259  5.7391  101.872 3.9616  -4.612213      6.973613  
1 1 1 10  6   16 f 185.932 3.6939  18743.38   743.889  18477.18   1054.20  19007.40   1049.85  184.496 5.2755  187.132 5.1798  -2.636322      7.393311  
1 1 1 10  6   17 o 373.053 6.3656  75654.09   2572.05  76233.05   3638.73  75075.95   3636.13  373.774 8.9882  370.906 9.0512  2.867157       12.75581  
1 1 1 10  6   18 o 170.024 3.5217  15675.96   648.542  17046.77   920.414  14324.27   913.974  177.202 4.7956  162.402 5.1960  14.80002       7.070834  
1 1 1 10  6   19 o 65.847  2.5598  2350.03    182.566  2549.40    335.847  2266.41    217.510  68.371  4.5614  64.653  3.1062  3.718834       5.518548  
1 1 1 10  6   20 o 73.021  3.3659  2892.61    266.204  2718.55    372.170  3074.95    380.921  70.552  4.9007  75.078  4.7082  -4.525650      6.795905  
1 1 1 10  6   21 o 233.849 6.2127  29845.51   1573.57  30842.45   2227.83  28852.98   2222.90  236.852 8.6843  228.974 8.9632  7.878220       12.48024  
1 1 1 10  6   22 o 108.643 4.3889  6426.60    516.448  6547.66    726.739  6303.09    734.052  109.207 6.1693  107.096 6.3567  2.110542       8.858240  
1 1 1 10  6   23 o 154.199 3.4216  12935.43   571.457  12814.31   799.325  13062.05   817.298  153.133 4.8193  154.589 4.8813  -1.455215      6.859473  
1 1 1 10  6   24 o 36.746  5.2704  756.101    203.756  883.374    277.555  607.342    300.070  39.413  6.7443  32.309  8.4710  7.104404       10.82792  
1 1 1 10  6   25 o 104.444 3.1692  5945.29    358.514  5839.08    498.841  6058.76    515.606  103.186 4.4635  105.089 4.5299  -1.903404      6.359466  
1 1 1 10  6   26 o 77.279  3.3124  3262.56    277.254  3141.03    381.429  3398.71    403.712  75.357  4.6966  78.369  4.7790  -3.012138      6.700508  
1 1 1 10  6   27 o 38.441  5.4236  837.894    219.538  928.117    299.604  733.277    322.618  39.870  7.2030  34.907  8.5913  4.963902       11.21127  
1 1 1 10  6   28 o 99.114  3.3581  5393.04    360.496  5232.33    492.478  5578.57    529.128  97.005  4.6873  100.052 4.8828  -3.047180      6.768478  
1 1 1 10  6   29 o 63.269  4.2286  2234.32    288.102  2334.34    401.075  2127.69    414.115  63.817  5.8683  60.588  6.4077  3.228672       8.688793  
1 1 1 10  6   30 o 34.299  7.1352  717.168    256.432  634.587    355.947  806.278    369.747  31.213  9.5968  35.104  9.4953  -3.891634      13.50035  
1 1 1 10  6   31 o 48.495  5.3789  1385.31    277.771  1409.69    385.275  1358.91    400.841  46.926  7.8582  45.535  8.4383  1.390881       11.53066  
1 1 1 10  6   32 o 23.650  8.1762  374.380    254.826  273.269    360.463  475.396    360.294  22.251  9.1959  25.808  9.6188  -3.557409      13.30735  
1 1 1 10  6   33 o 30.737  8.0031  666.375    269.049  899.878    381.440  435.177    379.552  33.729  9.8355  24.336  9.6571  9.392357       13.78389  
1 1 1 10  6   34 o 13.750  6.4916  -151.4530  253.115  -257.8851  354.023  -40.1522   362.030  15.223  7.3209  17.269  8.0260  -2.046651      10.86332  
1 1 1 10  7   0  o 747.859 17.281  304294.59  13997.62 277923.50  19794.71 330670.50  19796.54 712.739 25.642  778.072 23.491  -65.33276      34.77533  
1 1 1 10  7   1  o 514.347 9.9881  143494.09  5564.27  146316.41  6814.51  137848.00  9638.46  519.188 12.118  503.285 17.682  15.90329       21.43579  
1 1 1 10  7   2  o 570.888 10.972  176839.80  6784.29  169063.00  11751.68 180727.30  8308.68  557.041 19.478  576.869 13.298  -19.82776      23.58443  
1 1 1 10  7   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  7   4  o 457.558 7.6726  113493.00  3802.40  115154.40  5377.43  111831.70  5377.39  460.670 10.777  453.962 10.937  6.708099       15.35452  
1 1 1 10  7   5  f 708.273 13.629  272572.50  10455.49 269160.41  12804.94 279397.81  18110.48 703.219 16.812  714.788 23.393  -11.56830      28.80736  
1 1 1 10  7   6  o 361.894 6.2464  70978.66   2448.39  71343.95   3462.67  70613.43   3462.42  362.690 8.8147  360.826 8.8596  1.864380       12.49759  
1 1 1 10  7   7  o 414.888 7.0707  93315.57   3177.34  89429.34   4493.39  97201.95   4493.48  405.926 10.220  423.236 9.8023  -17.30957      14.16112  
1 1 1 10  7   8  o 404.149 6.8575  88554.62   3001.76  85941.33   4245.16  91167.84   4245.10  397.904 9.8502  409.852 9.5629  -11.94794      13.72867  
1 1 1 10  7   9  o 186.595 3.6489  18862.70   737.449  19433.38   1044.81  18296.14   1041.02  189.362 5.0942  183.734 5.2312  5.627960       7.301770  
1 1 1 10  7   10 o 179.432 4.0930  17445.74   795.443  17086.65   1379.09  17624.76   973.741  177.471 7.1745  180.326 4.9856  -2.854340      8.736704  
1 1 1 10  7   11 o 250.960 5.2601  34146.20   1429.78  34013.55   1751.74  34410.93   2474.70  250.400 6.4590  251.650 9.0794  -1.249069      11.14243  
1 1 1 10  7   12 o 143.811 4.5039  11211.52   701.533  10924.21   993.824  11496.86   990.419  141.881 6.4672  145.561 6.2821  -3.679703      9.016051  
1 1 1 10  7   13 o 144.385 4.8012  11304.90   750.832  11547.20   991.189  10978.66   1150.12  145.855 6.2743  141.953 7.5072  3.902496       9.783905  
1 1 1 10  7   14 o 91.674  3.8848  4555.86    385.732  4529.68    540.245  4583.09    550.926  91.200  5.4949  91.731  5.5714  -0.5311890     7.825247  
1 1 1 10  7   15 o 129.313 3.5326  9064.28    494.770  9234.81    848.597  8976.45    608.992  130.407 6.0080  128.652 4.3704  1.754288       7.429473  
1 1 1 10  7   16 o 176.509 3.6044  16890.94   689.084  16138.17   974.172  17644.77   974.852  172.427 5.2163  180.314 4.9916  -7.886520      7.219809  
1 1 1 10  7   17 o 92.654  2.9730  4652.97    298.350  4652.86    419.952  4653.09    423.937  92.615  4.1865  92.616  4.2262  -0.8621216E-03 5.948700  
1 1 1 10  7   18 o 99.297  2.9691  5344.69    319.325  5355.46    455.645  5334.29    447.650  99.348  4.2344  99.155  4.1683  0.1935577      5.941782  
1 1 1 10  7   19 o 125.922 3.1152  8597.49    424.873  8918.18    604.133  8283.66    597.641  128.174 4.3517  123.522 4.4671  4.651733       6.236381  
1 1 1 10  7   20 o 50.031  4.1848  1368.69    224.689  1264.44    312.243  1480.65    323.576  47.789  6.1770  51.824  5.8681  -4.034973      8.520010  
1 1 1 10  7   21 o 55.347  3.9258  1672.42    233.809  1399.94    308.881  2038.04    357.795  50.351  5.7679  60.918  5.4814  -10.56696      7.957087  
1 1 1 10  7   22 o 47.423  5.8524  1247.79    294.231  994.723    408.554  1520.48    424.091  41.565  9.3068  52.004  7.7674  -10.43859      12.12221  
1 1 1 10  7   23 o 89.436  4.3853  4364.54    424.804  4605.42    594.196  4112.71    607.553  91.374  6.0380  86.183  6.5579  5.191261       8.914181  
1 1 1 10  7   24 o 87.926  3.1653  4208.46    301.438  3695.78    412.156  4798.09    442.004  82.022  4.6586  93.667  4.3568  -11.64538      6.378438  
1 1 1 10  7   25 o 152.445 3.4297  12680.09   566.293  12247.37   795.153  13125.47   806.691  149.233 4.9194  154.538 4.8195  -5.304535      6.886831  
1 1 1 10  7   26 o 48.484  2.0397  1277.28    107.113  1120.16    306.584  1299.12    114.317  44.283  6.5933  48.887  2.1590  -4.604527      6.937737  
1 1 1 10  7   27 o 42.702  2.7935  999.250    128.492  915.980    138.536  1511.82    343.712  40.808  3.1590  51.507  6.2919  -10.69858      7.040423  
1 1 1 10  7   28 o 110.086 3.3096  6650.85    394.614  6191.62    540.294  7175.92    577.722  105.494 4.7286  113.591 4.6958  -8.097084      6.664073  
1 1 1 10  7   29 o 31.383  7.4718  597.945    250.324  516.813    344.220  689.013    364.690  28.999  9.5007  32.941  9.6204  -3.941675      13.52090  
1 1 1 10  7   30 o 22.453  8.0342  282.732    247.574  207.815    340.666  366.587    360.413  22.357  9.0534  25.507  9.5979  -3.150141      13.19409  
1 1 1 10  7   31 o 41.175  6.2228  1029.67    268.863  974.130    373.168  1089.61    387.707  37.669  9.2208  39.989  9.1497  -2.319347      12.99003  
1 1 1 10  7   32 o 37.009  6.9327  879.219    267.683  997.337    375.372  757.001    381.832  37.105  9.3454  31.490  9.9794  5.615036       13.67205  
1 1 1 10  7   33 o 45.670  5.7890  1295.30    279.924  1146.46    394.087  1446.86    397.682  38.931  9.4429  45.334  8.4088  -6.403515      12.64425  
1 1 1 10  7   34 o 24.494  8.9200  472.014    306.851  261.887    536.930  573.927    373.931  21.964  10.050  25.939  9.7732  -3.975090      14.01882  
1 1 1 10  8   0  o 195.979 3.7468  20804.44   795.318  21152.52   1124.78  20456.40   1124.72  197.591 5.2557  194.311 5.3441  3.279922       7.495468  
1 1 1 10  8   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  8   2  o 226.090 4.2057  27690.23   1029.89  27558.31   1456.55  27822.14   1456.41  225.518 5.9631  226.596 5.9342  -1.077545      8.412691  
1 1 1 10  8   3  o 477.167 7.8862  123432.10  4075.77  126907.40  5764.17  119957.10  5763.84  483.602 11.005  470.146 11.319  13.45639       15.78683  
1 1 1 10  8   4  o 684.481 12.949  254454.41  9600.22  247660.70  11757.21 268045.91  16629.76 674.756 16.087  700.654 21.914  -25.89783      27.18473  
1 1 1 10  8   5  o 514.825 8.5450  143724.41  4764.78  147489.91  6738.46  139959.00  6738.38  521.200 11.937  507.684 12.254  13.51578       17.10720  
1 1 1 10  8   6  o 143.793 3.0830  11199.43   480.159  11088.05   678.553  11311.14   679.542  143.063 4.3791  144.495 4.3420  -1.432465      6.166830  
1 1 1 10  8   7  o 423.228 7.1405  97108.07   3273.22  94289.13   4629.06  99926.95   4629.00  416.801 10.254  429.108 9.9598  -12.30692      14.29483  
1 1 1 10  8   8  o 956.511 22.173  501385.31  22970.77 528291.00  32486.91 474484.00  32484.23 976.563 30.714  924.296 32.448  52.26764       44.67936  
1 1 1 10  8   9  o 616.767 10.076  206615.20  6730.91  211679.30  9519.68  201552.50  9518.21  623.402 14.099  608.219 14.449  15.18231       20.18760  
1 1 1 10  8   10 o 597.318 11.474  194095.70  7423.30  197818.41  12856.80 192234.00  9091.90  600.356 19.772  593.753 14.138  6.603882       24.30663  
1 1 1 10  8   11 o 369.478 8.9412  74174.98   3578.14  74174.98   3578.14  0.0000     0.0000   369.478 8.9412  ?       ?       0.000000       8.941243  
1 1 1 10  8   12 o 263.577 6.7010  37708.12   1913.00  39661.46   2706.92  35759.19   2703.87  270.042 9.2550  256.354 9.7381  13.68741       13.43447  
1 1 1 10  8   13 o 249.936 6.4533  33912.15   1746.96  32539.92   2470.89  35283.67   2470.25  244.503 9.3304  254.653 8.9562  -10.15034      12.93325  
1 1 1 10  8   14 o 195.970 4.4232  20825.20   938.860  19882.57   1151.27  22696.76   1622.21  191.411 5.5531  204.353 7.3292  -12.94177      9.195333  
1 1 1 10  8   15 o 324.646 6.5430  57263.10   2300.67  57877.40   3983.72  56955.69   2818.15  325.332 11.306  323.504 8.0429  1.828583       13.87457  
1 1 1 10  8   16 o 247.413 4.4627  33206.34   1195.89  32950.86   1692.86  33460.85   1689.64  246.245 6.3472  248.152 6.2865  -1.906403      8.933464  
1 1 1 10  8   17 o 201.416 3.8792  22001.22   846.271  22230.44   1197.77  21772.74   1195.85  202.321 5.4659  200.222 5.5143  2.098679       7.764289  
1 1 1 10  8   18 o 40.831  4.1811  913.993    182.299  920.234    262.619  908.189    253.255  40.688  6.1513  40.445  5.9598  0.2420998      8.564928  
1 1 1 10  8   19 o 182.469 3.6544  18061.31   722.230  18297.80   1023.36  17826.63   1019.42  183.507 5.1488  181.123 5.1965  2.383713       7.315318  
1 1 1 10  8   20 o 56.427  3.4812  1734.15    211.719  1850.99    295.410  1610.75    303.588  58.171  4.7296  54.171  5.2397  3.999668       7.058557  
1 1 1 10  8   21 o 214.935 4.1108  25105.13   956.970  24473.07   1347.62  25748.07   1359.18  211.830 5.8737  217.303 5.7748  -5.473511      8.237029  
1 1 1 10  8   22 f 99.755  4.3402  5418.08    468.935  5582.05    657.984  5248.83    668.489  100.822 6.0535  97.686  6.3527  3.135895       8.775029  
1 1 1 10  8   23 o 138.456 4.6227  10469.64   693.234  10303.22   975.030  10639.76   985.821  136.762 6.5824  138.990 6.5486  -2.227661      9.284995  
1 1 1 10  8   24 o 89.764  3.1937  4386.89    310.507  3990.86    426.518  4833.45    452.916  85.245  4.6370  93.989  4.4491  -8.743362      6.426199  
1 1 1 10  8   25 o 42.029  4.7053  981.797    210.518  681.866    280.236  1370.30    318.941  34.192  7.7466  49.369  6.0939  -15.17779      9.856250  
1 1 1 10  8   26 o 62.473  3.4986  2140.91    235.781  2348.42    344.581  1958.22    323.323  65.043  4.9278  59.315  5.0818  5.728340       7.078740  
1 1 1 10  8   27 o 41.289  5.0898  959.901    222.797  1035.65    302.748  870.412    329.058  42.300  6.8417  38.205  8.1976  4.094963       10.67754  
1 1 1 10  8   28 o 3.9173  1.9832  -146.7796  41.832   631.630    284.748  -163.9499  42.291   32.263  8.1469  ?       ?       0.000000       8.146919  
1 1 1 10  8   29 o 32.318  7.3274  631.533    250.576  590.332    343.974  678.119    365.763  30.691  9.4336  32.677  9.6606  -1.986481      13.50262  
1 1 1 10  8   30 o 28.170  7.9528  496.294    253.278  290.927    352.870  714.526    363.755  23.998  9.3761  32.990  9.6004  -8.991837      13.41936  
1 1 1 10  8   31 o 60.949  4.5062  2133.42    295.361  2266.76    413.315  1994.26    422.234  61.200  6.3266  56.706  7.0251  4.493984       9.453980  
1 1 1 10  8   32 o 33.504  2.4900  624.013    89.715   972.074    379.218  603.377    92.336   36.415  9.5110  32.900  2.6127  3.514580       9.863379  
1 1 1 10  8   33 o 15.534  7.0216  -22.2699   252.288  3.3544     356.687  -47.9237   356.891  18.069  8.2385  17.524  8.0827  0.5440426      11.54135  
1 1 1 10  8   34 o 23.742  8.7636  435.020    297.646  545.861    487.613  369.193    375.776  24.854  10.511  22.449  9.3424  2.405396       14.06300  
1 1 1 10  9   0  o 957.092 31.742  503937.81  32904.59 503937.81  32904.59 0.0000     0.0000   957.092 31.742  ?       ?       0.000000       31.74187  
1 1 1 10  9   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  9   2  o 265.140 4.7648  38084.63   1368.31  36923.96   1934.97  39245.58   1935.21  261.017 6.8444  269.104 6.6395  -8.086761      9.535677  
1 1 1 10  9   3  o 378.853 6.5814  77784.66   2700.59  78215.39   3819.23  77353.95   3819.18  379.764 9.2852  377.664 9.3367  2.100098       13.16774  
1 1 1 10  9   4  o 376.183 6.5116  76693.14   2653.13  77419.16   3752.04  75967.08   3752.16  377.824 9.1687  374.259 9.2563  3.565216       13.02861  
1 1 1 10  9   5  o 443.452 7.4213  106602.50  3564.49  109172.30  5040.98  104032.90  5040.91  448.551 10.376  437.844 10.630  10.70645       14.85439  
1 1 1 10  9   6  f 354.638 5.9693  68157.28   2292.88  68630.20   3242.90  67684.52   3242.35  355.744 8.4164  353.282 8.4736  2.462799       11.94310  
1 1 1 10  9   7  o 315.184 5.4518  53832.36   1861.10  54143.38   2632.04  53521.36   2631.96  315.993 7.6903  314.171 7.7347  1.822632       10.90717  
1 1 1 10  9   8  o 452.764 7.5705  111172.90  3712.52  108683.00  5250.45  113662.40  5250.14  447.334 10.837  457.496 10.595  -10.16187      15.15564  
1 1 1 10  9   9  o 279.350 5.7118  42301.37   1728.19  45710.40   2994.14  40598.26   2116.30  290.139 9.5279  273.594 7.1417  16.54498       11.90731  
1 1 1 10  9   10 o 309.749 10.872  52173.39   3647.54  52173.39   3647.54  0.0000     0.0000   309.749 10.872  ?       ?       0.000000       10.87228  
1 1 1 10  9   11 o 295.968 10.481  47658.25   3359.91  47658.25   3359.91  0.0000     0.0000   295.968 10.481  ?       ?       0.000000       10.48123  
1 1 1 10  9   12 o 290.631 7.2794  45866.24   2291.42  46740.13   3241.81  44993.71   3239.29  293.004 10.215  287.450 10.404  5.554474       14.58084  
1 1 1 10  9   13 o 201.587 3.8177  22026.25   833.550  22985.28   1179.78  21070.32   1177.86  205.848 5.2915  197.072 5.5182  8.775543       7.645337  
1 1 1 10  9   14 o 76.392  3.2773  3162.66    271.162  3234.90    338.052  3032.29    454.098  77.138  4.0605  74.533  5.6676  2.604980       6.972002  
1 1 1 10  9   15 o 181.800 4.1959  17923.20   826.208  17287.13   1426.51  18244.27   1013.51  178.293 7.3870  183.362 5.1032  -5.069077      8.978375  
1 1 1 10  9   16 o 76.322  2.5573  3156.35    211.401  3297.44    340.398  3067.77    269.720  77.871  4.0499  75.229  3.3102  2.642067       5.230564  
1 1 1 10  9   17 f 147.532 3.2175  11798.79   514.123  11802.38   728.379  11795.24   725.789  147.481 4.5599  147.437 4.5450  0.4365540E-01  6.438109  
1 1 1 10  9   18 o 154.714 3.3559  12978.64   562.355  13305.92   797.244  12654.55   793.350  156.560 4.7015  152.672 4.7977  3.887726       6.717333  
1 1 1 10  9   19 o 137.669 3.2094  10277.36   478.552  10678.10   663.078  9841.72    691.356  140.250 4.3651  134.616 4.7417  5.633926       6.444986  
1 1 1 10  9   20 o 117.452 3.0669  7481.76    390.143  7334.93    549.178  7631.36    554.349  116.205 4.3633  118.534 4.3179  -2.328545      6.138617  
1 1 1 10  9   21 o 143.862 3.3280  11233.96   518.555  10611.47   710.745  11942.44   758.254  139.660 4.6986  148.156 4.7253  -8.496094      6.663739  
1 1 1 10  9   22 o 70.876  3.3722  2729.45    258.873  2644.92    346.519  2836.20    389.428  69.518  4.6286  71.933  5.0301  -2.414345      6.835582  
1 1 1 10  9   23 o 123.139 4.4571  8277.06    594.449  8386.72    834.780  8164.24    846.702  123.325 6.2702  121.610 6.4513  1.714645       8.996399  
1 1 1 10  9   24 o 99.504  4.3413  5415.21    467.882  5553.06    653.570  5270.29    670.110  100.127 6.0551  97.413  6.3866  2.713600       8.800710  
1 1 1 10  9   25 o 143.370 3.3009  11210.36   512.581  10418.36   715.234  12046.67   734.965  137.676 4.7965  148.140 4.5806  -10.46443      6.632349  
1 1 1 10  9   26 o 48.215  4.1371  1285.35    213.956  1471.31    281.890  1032.65    328.615  51.338  5.1386  42.179  7.4664  9.158909       9.063764  
1 1 1 10  9   27 o 28.112  6.9483  465.344    210.353  467.819    283.343  462.304    313.978  28.159  8.5438  28.168  9.0624  -0.8573532E-02 12.45490  
1 1 1 10  9   28 o 47.373  4.4043  1254.30    223.398  1282.96    319.529  1226.90    312.455  47.121  6.4284  46.060  6.4392  1.061638       9.098799  
1 1 1 10  9   29 o 17.800  7.4464  65.802     240.497  147.458    335.292  -20.7248   345.149  21.563  8.8861  19.313  8.5026  2.249790       12.29868  
1 1 1 10  9   30 o 22.706  8.0837  292.399    250.332  83.038     349.754  512.304    358.453  20.553  8.8040  28.431  9.7023  -7.877468      13.10131  
1 1 1 10  9   31 o 21.282  7.7196  267.615    229.488  397.030    353.699  173.526    301.586  25.009  9.4854  20.348  8.4106  4.660826       12.67719  
1 1 1 10  9   32 o 15.904  7.1896  -39.1173   264.586  -131.7159  388.692  40.838     361.182  17.750  8.2717  19.037  8.5197  -1.286606      11.87461  
1 1 1 10  9   33 o 29.446  1.3632  473.176    43.478   477.814    43.777   136.854    372.802  29.590  1.3659  19.865  8.7864  9.725285       8.891962  
1 1 1 10  9   34 o 19.949  8.1555  247.676    279.617  614.860    429.695  -22.0087   368.254  26.117  10.303  17.523  8.1270  8.593493       13.12259  
1 1 1 10  10  0  o 595.122 13.893  192387.80  8955.27  179334.91  12663.91 205443.91  12665.43 573.573 20.385  614.163 19.040  -40.59058      27.89382  
1 1 1 10  10  1  o 348.858 5.8702  65944.34   2218.06  62085.05   3136.59  69804.72   3137.04  338.391 8.5579  358.836 8.0715  -20.44482      11.76381  
1 1 1 10  10  2  o 871.688 28.897  417103.91  27282.25 0.0000     0.0000   417103.91  27282.25 ?       ?       871.688 28.897  0.000000       28.89672  
1 1 1 10  10  3  o 474.105 9.3788  121907.40  4816.06  121331.20  5897.89  123060.40  8343.22  472.806 11.517  475.647 16.195  -2.841187      19.87256  
1 1 1 10  10  4  o 407.839 6.9975  90154.49   3091.04  91580.96   4371.15  88727.71   4371.64  410.884 9.8222  404.421 9.9802  6.462250       14.00284  
1 1 1 10  10  5  o 352.064 6.1001  67170.91   2326.11  63764.02   3289.01  70580.31   3290.23  342.890 8.8561  360.777 8.4201  -17.88696      12.21997  
1 1 1 10  10  6  o 652.544 10.605  231111.30  7495.36  227472.00  10600.03 234750.70  10600.06 646.646 15.135  656.956 14.897  -10.31018      21.23627  
1 1 1 10  10  7  o 450.265 7.5705  109930.20  3691.99  105156.20  5221.20  114704.50  5221.34  440.081 10.954  459.677 10.487  -19.59573      15.16471  
1 1 1 10  10  8  o 230.007 4.2323  28662.67   1054.36  29425.46   1493.92  27905.63   1488.29  232.997 5.9198  226.895 6.0561  6.101593       8.468780  
1 1 1 10  10  9  o 298.106 6.0411  48178.81   1950.55  49789.89   3377.57  47372.63   2389.24  302.733 10.301  295.516 7.4646  7.217316       12.72119  
1 1 1 10  10  10 o 429.251 14.596  100540.10  6786.04  100540.10  6786.04  0.0000     0.0000   429.251 14.596  ?       ?       0.000000       14.59603  
1 1 1 10  10  11 o 380.134 9.1800  78538.43   3779.64  81819.62   5346.27  75259.81   5344.17  387.347 12.743  371.383 13.286  15.96378       18.40934  
1 1 1 10  10  12 f 238.191 4.9788  30764.30   1284.46  33540.04   2230.29  29386.73   1571.19  248.424 8.2889  232.713 6.2336  15.71080       10.37131  
1 1 1 10  10  13 o 159.638 3.3184  13810.10   573.768  14338.91   814.055  13288.07   808.830  162.616 4.6219  156.537 4.7706  6.078568       6.642317  
1 1 1 10  10  14 o 34.694  3.8865  660.688    143.536  622.865    199.583  701.208    206.578  33.410  5.7212  35.524  5.5505  -2.114552      7.971226  
1 1 1 10  10  15 o 267.286 6.1351  38802.08   1776.10  41007.35   2801.00  37319.14   2296.91  274.235 9.4302  261.847 8.0989  12.38815       12.43064  
1 1 1 10  10  16 o 54.120  3.2133  1593.18    187.511  1560.81    266.040  1625.13    264.330  53.435  4.6429  54.546  4.5147  -1.111359      6.476042  
1 1 1 10  10  17 o 163.011 3.5021  14407.32   618.329  15005.04   843.848  13714.29   908.640  166.281 4.6854  158.924 5.2788  7.357422       7.058234  
1 1 1 10  10  18 o 103.321 2.9031  5786.49    324.875  5977.26    473.142  5616.32    446.868  104.959 4.1620  101.745 4.0550  3.213425       5.810823  
1 1 1 10  10  19 o 46.470  3.8361  1179.59    191.350  1277.82    267.075  1075.98    274.290  48.215  5.1963  44.091  5.8910  4.124516       7.855276  
1 1 1 10  10  20 o 164.722 3.4681  14722.31   618.743  15134.82   873.656  14307.19   876.420  166.863 4.8340  162.217 4.9882  4.645996       6.946229  
1 1 1 10  10  21 o 192.574 3.8176  20145.31   796.271  20979.31   1124.82  19307.51   1127.38  196.243 5.2920  188.210 5.5304  8.032410       7.654445  
1 1 1 10  10  22 o 36.866  0.9916  736.235    39.596   29.375     242.492  755.598    40.135   17.787  7.4614  37.348  0.9922  -19.56104      7.527059  
1 1 1 10  10  23 o 54.348  3.9599  1618.16    231.497  1683.91    313.996  1539.86    342.649  55.200  5.3177  52.585  6.1313  2.615082       8.116037  
1 1 1 10  10  24 o 24.570  8.0560  327.449    247.473  215.011    334.716  463.023    367.542  23.629  9.1595  29.202  9.8252  -5.572786      13.43245  
1 1 1 10  10  25 o 47.750  5.7837  1278.91    293.021  1155.60    397.997  1424.87    433.001  44.473  8.5733  49.582  8.3603  -5.109249      11.97482  
1 1 1 10  10  26 o 90.239  3.2460  4447.71    317.263  4516.29    439.804  4373.30    458.110  90.584  4.4827  88.922  4.7740  1.661522       6.548685  
1 1 1 10  10  27 o 63.040  3.7849  2190.53    257.231  2584.72    353.339  1746.03    375.205  68.139  4.8188  55.346  6.3756  12.79267       7.991800  
1 1 1 10  10  28 o 47.177  2.2131  1212.62    113.083  1112.57    286.371  1231.11    123.086  43.926  6.1909  47.450  2.4028  -3.523708      6.640806  
1 1 1 10  10  29 o 53.598  4.7373  1619.28    272.180  1544.91    381.487  1696.39    388.449  51.153  7.0749  53.786  6.8213  -2.632767      9.827793  
1 1 1 10  10  30 o 50.879  2.1839  1414.63    120.349  1337.76    372.174  1423.61    127.182  46.787  7.6055  51.015  2.3017  -4.228031      7.946187  
1 1 1 10  10  31 o 42.782  6.0163  1105.99    271.075  1049.87    376.828  1166.19    390.239  39.201  9.0573  41.498  8.9457  -2.296833      12.73028  
1 1 1 10  10  32 o 33.198  7.5791  733.752    266.527  786.815    370.779  677.018    383.388  32.313  9.7668  29.721  10.035  2.592045       14.00294  
1 1 1 10  10  33 o 17.630  7.5136  115.225    252.424  97.037     340.995  137.274    375.449  18.881  8.3748  19.881  8.8045  -1.000017      12.15139  
1 1 1 10  10  34 o 16.528  7.6192  -28.5000   316.483  -101.9725  412.209  77.000     493.948  17.496  8.2677  20.004  9.3230  -2.507975      12.46085  
1 1 1 10  11  0  o 99.598  2.7117  5372.75    292.530  5535.21    414.190  5211.05    413.212  101.088 3.7830  98.082  3.8897  3.005272       5.425895  
1 1 1 10  11  1  o 178.017 3.6663  17165.54   706.895  17688.67   949.938  16516.38   1058.20  180.695 4.8538  174.593 5.5959  6.101120       7.407667  
1 1 1 10  11  2  o 601.469 14.102  196555.91  9186.75  188269.70  12991.85 204842.50  12992.20 587.606 20.413  613.093 19.565  -25.48700      28.27552  
1 1 1 10  11  3  o 581.637 11.442  183613.20  7207.90  187334.30  8827.38  176168.70  12485.77 587.195 13.880  568.380 20.282  18.81464       24.57633  
1 1 1 10  11  4  o 247.638 4.5288  33222.43   1214.71  31637.84   1717.47  34808.47   1718.26  241.612 6.5630  253.439 6.2596  -11.82639      9.069448  
1 1 1 10  11  5  o 479.608 7.9786  124717.00  4144.60  121651.80  5861.29  127782.20  5861.42  473.383 11.432  485.192 11.154  -11.80917      15.97148  
1 1 1 10  11  6  o 437.849 7.3345  103933.20  3478.27  100200.10  4918.89  107666.60  4919.16  429.666 10.570  445.421 10.196  -15.75525      14.68633  
1 1 1 10  11  7  o 286.736 5.1149  44550.78   1588.50  45043.81   2246.93  44058.14   2246.04  288.237 7.1973  285.062 7.2746  3.174622       10.23331  
1 1 1 10  11  8  o 558.345 9.3589  169210.30  5659.75  172321.70  8004.67  166099.70  8003.50  562.840 13.131  552.540 13.374  10.30023       18.74211  
1 1 1 10  11  9  o 259.250 9.3779  36495.95   2633.28  0.0000     0.0000   36495.95   2633.28  ?       ?       259.250 9.3779  0.000000       9.377940  
1 1 1 10  11  10 o 359.761 12.420  70483.35   4839.41  70483.35   4839.41  0.0000     0.0000   359.761 12.420  ?       ?       0.000000       12.41960  
1 1 1 10  11  11 o 469.512 11.163  120030.80  5676.79  123775.50  8029.27  116288.00  8027.10  475.558 15.588  460.794 16.084  14.76443       22.39821  
1 1 1 10  11  12 o 243.044 4.7623  32027.70   1253.63  32397.61   1661.94  31539.34   1909.55  244.336 6.2799  240.989 7.3158  3.346985       9.641513  
1 1 1 10  11  13 o 108.267 2.8306  6351.04    331.932  6482.25    472.439  6223.12    466.464  109.354 3.9888  107.145 4.0195  2.208893       5.662768  
1 1 1 10  11  14 o 141.087 3.1708  10787.34   484.542  10369.47   681.472  11214.59   689.083  138.276 4.5502  143.806 4.4241  -5.530106      6.346402  
1 1 1 10  11  15 o 313.140 7.7664  53352.72   2634.09  51860.98   3724.05  54846.27   3726.30  307.963 11.165  316.785 10.860  -8.821716      15.57552  
1 1 1 10  11  16 o 124.262 3.0024  8368.68    404.093  8345.83    572.848  8391.31    570.110  124.044 4.2638  124.382 4.2318  -0.3389587     6.007360  
1 1 1 10  11  17 o 127.720 3.0677  8841.97    424.363  9196.60    601.198  8489.84    599.087  130.201 4.2632  125.090 4.4218  5.111267       6.142200  
1 1 1 10  11  18 o 137.368 3.1704  10230.39   471.707  9484.93    668.049  10971.60   666.143  132.182 4.6662  142.189 4.3255  -10.00632      6.362631  
1 1 1 10  11  19 o 65.771  3.1518  2345.64    224.522  2296.11    312.153  2398.73    323.178  64.878  4.4695  66.313  4.5267  -1.434830      6.361367  
1 1 1 10  11  20 o 192.732 3.7830  20162.70   789.704  20785.86   1118.91  19544.21   1114.72  195.473 5.2849  189.521 5.4305  5.951965       7.577650  
1 1 1 10  11  21 o 192.307 3.7942  20089.45   790.276  19636.76   1115.62  20545.40   1119.63  189.822 5.4262  194.187 5.3233  -4.365051      7.601441  
1 1 1 10  11  22 f 79.332  2.6596  3415.52    228.530  3477.59    362.160  3374.45    294.586  79.815  4.2042  78.797  3.4517  1.017906       5.439598  
1 1 1 10  11  23 o 28.999  1.1971  455.671    37.601   -32.0172   237.660  468.192    38.080   16.485  7.1600  29.394  1.1961  -12.90948      7.259243  
1 1 1 10  11  24 o 27.608  7.9909  436.770    252.625  669.184    341.372  155.401    375.609  33.822  9.1134  23.496  9.5092  10.32610       13.17114  
1 1 1 10  11  25 f 108.022 4.3852  6399.52    513.057  6577.71    715.593  6211.04    735.982  108.720 6.1016  105.460 6.4747  3.260818       8.896668  
1 1 1 10  11  26 o 34.246  5.9602  670.756    213.044  607.779    288.652  746.111    315.746  32.024  8.2658  35.459  8.3580  -3.434792      11.75498  
1 1 1 10  11  27 o 60.534  3.8705  2022.30    252.443  1817.91    345.311  2256.94    369.982  56.760  5.6936  63.403  5.4403  -6.643002      7.874938  
1 1 1 10  11  28 o 60.903  2.4899  2024.28    164.244  2126.55    348.421  1995.06    186.234  61.398  5.2911  60.391  2.8472  1.006451       6.008498  
1 1 1 10  11  29 o 54.472  4.6342  1669.54    270.813  1341.32    378.880  2012.39    387.232  47.276  7.6616  59.039  6.1458  -11.76320      9.821904  
1 1 1 10  11  30 o 31.591  1.3132  542.264    44.932   -62.5079   371.195  551.257    45.265   19.129  8.5937  31.852  1.3121  -12.72298      8.693249  
1 1 1 10  11  31 o 26.941  8.1418  482.249    257.678  658.058    357.530  292.220    371.707  30.406  9.6588  23.236  9.4401  7.169346       13.50591  
1 1 1 10  11  32 o 21.955  1.6328  264.854    38.548   122.267    339.430  266.717    38.799   19.691  8.5546  22.031  1.6377  -2.340773      8.709939  
1 1 1 10  11  33 o 17.621  7.4336  125.210    242.893  335.668    316.926  -174.3757  378.125  22.318  8.8345  16.710  7.9030  5.608438       11.85351  
1 1 1 10  11  34 o 29.560  1.9603  484.066    62.406   553.795    436.430  482.611    63.054   25.089  10.215  29.507  1.9845  -4.418055      10.40596  
1 1 1 10  12  0  o 539.390 11.638  157903.20  6798.87  0.0000     0.0000   157903.20  6798.87  ?       ?       539.390 11.638  0.000000       11.63760  
1 1 1 10  12  1  f 674.375 22.388  248296.50  16352.26 0.0000     0.0000   248296.50  16352.26 ?       ?       674.375 22.388  0.000000       22.38751  
1 1 1 10  12  2  o 710.837 16.600  274891.50  12780.28 268355.81  18074.04 281427.31  18074.06 700.649 23.817  717.667 23.252  -17.01831      33.28519  
1 1 1 10  12  3  o 393.121 6.6375  83756.66   2826.19  88830.97   3997.27  78684.57   3996.40  404.720 9.1188  380.871 9.6877  23.84915       13.30431  
1 1 1 10  12  4  o 222.949 4.1319  26926.80   997.760  28606.86   1411.16  25247.31   1410.93  229.769 5.6704  215.848 6.0351  13.92125       8.281108  
1 1 1 10  12  5  f 389.199 6.6098  82099.34   2786.32  81704.59   3940.31  82494.15   3940.59  388.101 9.3738  389.974 9.3294  -1.873779      13.22523  
1 1 1 10  12  6  o 546.000 9.1938  161721.41  5436.98  158800.70  7688.85  164642.50  7689.24  540.567 13.132  550.454 12.897  -9.887024      18.40632  
1 1 1 10  12  7  o 546.155 9.0204  161834.00  5335.94  171364.41  7546.97  152307.80  7545.35  561.546 12.408  529.288 13.162  32.25830       18.08877  
1 1 1 10  12  8  o 410.611 13.978  91778.84   6216.37  0.0000     0.0000   91778.84   6216.37  ?       ?       410.611 13.978  0.000000       13.97770  
1 1 1 10  12  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  12  10 f 132.181 6.2389  9475.49    893.193  9475.49    893.193  0.0000     0.0000   132.181 6.2389  ?       ?       0.000000       6.238882  
1 1 1 10  12  11 o 513.041 8.6031  143012.80  4780.55  143996.50  6761.17  142029.41  6760.26  513.964 12.146  510.419 12.228  3.545349       17.23506  
1 1 1 10  12  12 o 171.839 3.4810  16001.59   647.872  15827.38   917.210  16175.05   915.252  170.844 4.9568  172.714 4.8927  -1.869156      6.964736  
1 1 1 10  12  13 o 172.171 3.5127  16065.17   655.045  16475.78   926.274  15654.40   926.472  174.295 4.9066  169.889 5.0350  4.406769       7.030373  
1 1 1 10  12  14 o 132.899 3.0872  9571.38    444.378  9695.12    627.723  9447.06    629.169  133.712 4.3344  131.988 4.4011  1.724304       6.177112  
1 1 1 10  12  15 o 199.976 4.4760  21691.15   969.474  22124.96   1188.45  20828.29   1676.11  201.891 5.4349  195.631 7.9103  6.259323       9.597478  
1 1 1 10  12  16 o 199.654 3.8560  21615.11   833.834  21029.30   1179.88  22199.62   1178.56  196.795 5.5354  202.212 5.3812  -5.416656      7.719974  
1 1 1 10  12  17 o 157.859 3.3834  13510.00   578.493  14004.83   816.497  13011.25   819.737  160.642 4.6927  154.825 4.8884  5.817184       6.776270  
1 1 1 10  12  18 o 183.800 3.6684  18322.50   730.294  18191.56   1030.75  18454.48   1034.85  183.003 5.2002  184.323 5.1835  -1.319473      7.342452  
1 1 1 10  12  19 o 117.262 3.0142  7455.31    382.827  7599.76    536.706  7305.71    546.217  118.327 4.1878  116.005 4.3473  2.322044       6.036246  
1 1 1 10  12  20 o 72.825  2.6491  2875.43    208.955  3153.37    360.450  2734.74    256.442  76.061  4.3940  70.997  3.3349  5.063965       5.516233  
1 1 1 10  12  21 o 72.481  3.1115  2851.05    244.263  2763.10    339.701  2945.20    351.481  71.141  4.4306  73.455  4.4387  -2.314133      6.271540  
1 1 1 10  12  22 o 67.208  3.1534  2453.54    229.546  2341.47    318.596  2574.53    331.014  65.398  4.5257  68.597  4.4798  -3.198997      6.367929  
1 1 1 10  12  23 o 102.523 2.8466  5711.58    316.097  5975.54    458.387  5472.25    436.476  104.686 4.0427  100.184 4.0225  4.502190       5.702956  
1 1 1 10  12  24 o 55.033  2.0872  1644.04    124.410  1250.50    285.681  1736.14    138.204  47.318  5.6882  56.542  2.2567  -9.224251      6.119527  
1 1 1 10  12  25 o 95.790  4.3622  5032.28    452.583  5386.51    629.299  4652.77    651.370  98.416  5.9313  91.136  6.6446  7.280136       8.906818  
1 1 1 10  12  26 o 62.703  4.9492  2184.70    333.389  2363.75    456.213  1979.49    488.397  64.616  6.6118  58.529  7.9067  6.086834       10.30689  
1 1 1 10  12  27 o 48.126  4.2825  1287.20    220.894  1318.69    288.514  1242.58    343.384  48.281  5.6225  46.288  7.0738  1.993256       9.036128  
1 1 1 10  12  28 o 53.330  2.3946  1551.34    138.319  1334.71    331.471  1597.02    152.203  48.002  6.5462  54.076  2.5987  -6.073578      7.043179  
1 1 1 10  12  29 o 21.896  7.9145  254.180    240.916  547.124    338.097  -47.9848   343.377  29.657  9.3897  18.906  8.3940  10.75044       12.59468  
1 1 1 10  12  30 o 18.691  1.8763  192.372    37.473   -331.1094  340.799  198.778    37.701   15.599  7.4140  19.006  1.8551  -3.406937      7.642569  
1 1 1 10  12  31 o 71.716  3.0052  2857.79    233.434  2969.67    272.349  2548.05    453.160  72.811  3.4535  64.478  6.5811  8.333153       7.432199  
1 1 1 10  12  32 o 64.190  4.0276  2364.88    278.597  2407.36    360.528  2301.90    438.935  63.496  5.2904  60.267  6.8458  3.228931       8.651788  
1 1 1 10  12  33 o 32.376  2.0210  579.491    70.516   586.421    71.663   368.150    395.746  32.563  2.0422  23.173  9.6110  9.389925       9.825536  
1 1 1 10  12  34 o 18.246  8.2681  70.970     352.337  167.857    503.038  -22.3358   493.653  20.846  9.6081  19.210  9.0684  1.635542       13.21174  
1 1 1 10  13  0  o 565.712 10.500  173623.00  6433.86  193521.59  11146.86 163682.00  7878.75  596.345 17.258  548.988 13.250  47.35760       21.75775  
1 1 1 10  13  1  o 672.589 15.727  245980.41  11456.97 245324.50  16202.59 246636.30  16202.61 670.319 22.317  672.124 22.257  -1.804382      31.51845  
1 1 1 10  13  2  o 542.964 18.142  160535.00  10669.12 0.0000     0.0000   160535.00  10669.12 ?       ?       542.964 18.142  0.000000       18.14208  
1 1 1 10  13  3  o 544.888 10.782  161109.80  6362.96  160524.70  7792.26  162280.70  11023.08 543.622 13.234  545.781 18.647  -2.157959      22.86620  
1 1 1 10  13  4  o 170.753 3.5148  15793.37   650.036  15601.02   918.106  15986.72   920.478  169.691 4.9953  171.777 4.9474  -2.085541      7.030668  
1 1 1 10  13  5  o 687.185 13.279  256593.09  9883.27  254997.09  12103.85 259786.00  17120.11 684.457 16.327  689.160 22.936  -4.702576      28.15366  
1 1 1 10  13  6  o 482.228 8.1635  126107.50  4263.84  123781.20  6029.94  128433.90  6030.02  477.419 11.661  486.334 11.448  -8.914673      16.34109  
1 1 1 10  13  7  o 256.457 5.4290  35642.36   1508.01  36743.73   1847.35  33442.66   2610.74  260.349 6.5512  248.231 9.7104  12.11771       11.71370  
1 1 1 10  13  8  o 201.653 7.7686  22057.84   1696.76  0.0000     0.0000   22057.84   1696.76  ?       ?       201.653 7.7686  0.000000       7.768626  
1 1 1 10  13  9  o 192.115 7.5356  20023.95   1568.01  20023.95   1568.01  0.0000     0.0000   192.115 7.5356  ?       ?       0.000000       7.535576  
1 1 1 10  13  10 o 267.188 4.8256  38695.05   1396.49  39511.81   1975.63  37879.43   1974.25  269.879 6.7588  264.236 6.8983  5.643158       9.657495  
1 1 1 10  13  11 f 258.986 4.7017  36360.57   1318.88  35697.21   1867.62  37020.49   1862.76  256.478 6.7231  261.200 6.5843  -4.721497      9.410276  
1 1 1 10  13  12 o 264.732 4.6550  37998.14   1334.73  40008.34   1888.79  35993.04   1886.39  271.501 6.4231  257.486 6.7641  14.01553       9.327836  
1 1 1 10  13  13 o 172.563 3.5364  16138.69   660.967  15996.39   935.908  16280.29   933.594  171.733 5.0316  173.253 4.9752  -1.520233      7.075990  
1 1 1 10  13  14 o 346.078 5.9922  65026.58   2246.11  62883.89   3176.90  67168.14   3176.05  339.865 8.6303  351.312 8.3469  -11.44629      12.00637  
1 1 1 10  13  15 o 251.177 5.2960  34242.61   1440.77  34701.06   1765.43  33328.38   2493.08  252.717 6.4498  247.227 9.3104  5.489853       11.32625  
1 1 1 10  13  16 o 113.958 3.3639  7039.80    415.195  7227.94    713.268  6943.38    510.622  115.363 5.7084  113.145 4.1667  2.218399       7.067344  
1 1 1 10  13  17 o 79.538  2.8905  3428.83    249.015  3274.76    347.259  3591.92    357.276  77.587  4.1473  81.376  4.0535  -3.788780      5.799264  
1 1 1 10  13  18 o 77.245  2.9507  3234.48    246.865  3209.92    342.782  3260.94    355.822  76.804  4.1359  77.402  4.2607  -0.5984268     5.937976  
1 1 1 10  13  19 o 214.314 4.0364  24927.21   936.942  23603.30   1322.58  26261.00   1327.51  208.298 5.8623  219.759 5.5773  -11.46133      8.091478  
1 1 1 10  13  20 o 113.586 3.0019  6997.42    369.309  7240.01    529.749  6768.04    515.122  115.452 4.2364  111.623 4.2607  3.828453       6.008419  
1 1 1 10  13  21 o 82.641  3.0294  3706.11    271.155  3667.04    378.657  3747.22    388.473  82.011  4.2777  82.897  4.3418  -0.8860092     6.095071  
1 1 1 10  13  22 o 148.790 3.2971  12029.33   531.347  11798.82   748.402  12263.62   754.513  147.105 4.6972  149.986 4.6446  -2.880814      6.605712  
1 1 1 10  13  23 o 34.727  1.4432  653.664    54.282   890.944    241.608  641.050    55.706   39.887  5.7595  34.389  1.4956  5.497589       5.950471  
1 1 1 10  13  24 f 108.281 2.9892  6380.75    350.573  6090.61    504.952  6650.74    487.101  105.486 4.4196  110.317 4.0767  -4.831223      6.012685  
1 1 1 10  13  25 o 34.785  7.8593  707.538    289.124  459.181    423.760  923.840    395.469  29.555  10.518  39.411  9.3970  -9.855606      14.10430  
1 1 1 10  13  26 o 102.992 4.4034  5836.77    491.202  6145.97    683.888  5507.28    705.967  104.793 6.0511  98.859  6.6316  5.933838       8.977427  
1 1 1 10  13  27 o 37.069  5.6752  784.539    220.606  870.902    298.390  680.425    327.624  38.463  7.4315  33.504  8.8837  4.959019       11.58219  
1 1 1 10  13  28 o 42.152  5.1362  1007.34    229.646  706.557    309.931  1373.50    341.964  33.991  8.4537  48.640  6.6665  -14.64921      10.76600  
1 1 1 10  13  29 o 59.882  4.5013  2011.64    289.814  1847.64    426.224  2152.67    395.244  55.904  7.2070  61.129  6.0491  -5.224297      9.409176  
1 1 1 10  13  30 o 28.170  7.9287  499.185    252.141  757.005    354.308  234.639    358.899  33.927  9.3444  22.999  9.2999  10.92776       13.18355  
1 1 1 10  13  31 o 17.571  7.3701  96.681     236.551  49.402     308.829  163.795    367.953  18.448  8.0842  21.160  9.0460  -2.711655      12.13195  
1 1 1 10  13  32 o 35.183  7.3044  812.609    269.240  679.511    371.710  959.511    390.511  29.828  9.8777  35.732  9.7973  -5.904852      13.91241  
1 1 1 10  13  33 o 40.436  6.2631  1043.00    265.433  869.958    350.497  1275.69    406.444  33.659  9.3037  41.187  9.3277  -7.527935      13.17442  
1 1 1 10  13  34 o 25.909  9.3221  553.745    333.746  632.729    431.898  436.677    525.815  26.352  10.351  23.529  10.420  2.823431       14.68686  
1 1 1 10  14  0  o 500.007 8.4934  135552.00  4599.67  132038.80  6504.79  139065.50  6505.04  493.178 12.178  506.161 11.866  -12.98349      17.00251  
1 1 1 10  14  1  o 706.364 23.437  272669.00  17931.19 272669.00  17931.19 0.0000     0.0000   706.364 23.437  ?       ?       0.000000       23.43747  
1 1 1 10  14  2  o 486.138 9.4593  128178.50  4980.67  119957.90  6098.81  144639.80  8630.28  470.076 11.979  515.762 15.449  -45.68585      19.54903  
1 1 1 10  14  3  o 805.110 26.705  355399.81  23287.55 0.0000     0.0000   355399.81  23287.55 ?       ?       805.110 26.705  0.000000       26.70538  
1 1 1 10  14  4  o 528.877 9.0680  151705.70  5194.40  142620.50  7345.55  160793.09  7346.42  512.362 13.237  544.125 12.465  -31.76215      18.18226  
1 1 1 10  14  5  o 167.724 3.5436  15238.23   643.740  14921.96   960.071  15496.57   867.693  165.948 5.3415  169.123 4.7369  -3.174942      7.139279  
1 1 1 10  14  6  o 439.396 8.7445  104725.00  4161.59  105575.80  5096.60  103022.60  7208.88  441.004 10.670  435.091 15.297  5.913147       18.65102  
1 1 1 10  14  7  o 644.588 21.494  227488.70  15006.06 0.0000     0.0000   227488.70  15006.06 ?       ?       644.588 21.494  0.000000       21.49384  
1 1 1 10  14  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  14  9  o 170.977 4.9740  15844.10   921.112  15084.36   1309.40  16588.39   1296.01  166.752 7.2499  174.884 6.8421  -8.132172      9.968676  
1 1 1 10  14  10 o 218.930 4.1354  25973.92   980.606  25192.36   1387.02  26754.95   1386.55  215.535 5.9415  222.128 5.7632  -6.592834      8.277424  
1 1 1 10  14  11 o 256.371 4.6121  35629.25   1280.67  37544.41   1813.12  33722.45   1809.16  263.053 6.3638  249.279 6.7007  13.77396       9.241055  
1 1 1 10  14  12 o 223.054 4.1690  26969.57   1007.19  27605.21   1424.64  26334.38   1424.13  225.564 5.8313  220.301 5.9684  5.262985       8.344213  
1 1 1 10  14  13 o 162.731 3.5216  14352.06   620.697  14658.26   841.670  13987.00   919.017  164.407 4.7266  160.571 5.2843  3.836304       7.089767  
1 1 1 10  14  14 o 211.273 4.0207  24200.74   920.062  24500.71   1301.03  23900.64   1301.30  212.458 5.6538  209.834 5.7257  2.624039       8.046724  
1 1 1 10  14  15 o 138.675 3.6489  10425.59   548.071  10278.08   672.195  10718.13   946.621  137.652 4.5086  140.465 6.2221  -2.812866      7.683879  
1 1 1 10  14  16 o 288.752 5.9300  45293.51   1854.60  45715.45   3211.09  45082.32   2271.82  289.205 10.251  287.851 7.2868  1.354065       12.57718  
1 1 1 10  14  17 o 214.727 4.0793  25010.46   948.733  25142.65   1340.45  24877.76   1342.97  215.121 5.7531  213.980 5.7946  1.141190       8.165496  
1 1 1 10  14  18 o 65.813  3.0617  2348.20    218.249  2190.47    300.850  2523.42    317.091  63.376  4.4103  68.052  4.3245  -4.676266      6.176739  
1 1 1 10  14  19 o 201.156 3.8892  21957.66   847.345  21189.62   1195.62  22732.71   1201.06  197.394 5.5923  204.481 5.4230  -7.086533      7.789889  
1 1 1 10  14  20 o 91.543  3.0154  4545.30    298.978  4115.30    421.525  4980.61    424.125  86.909  4.4934  95.765  4.0890  -8.855949      6.075435  
1 1 1 10  14  21 f 238.608 4.4195  30970.04   1142.17  30894.65   1615.91  31045.30   1614.62  237.782 6.2743  238.368 6.2539  -0.5859375     8.858825  
1 1 1 10  14  22 o 104.299 3.0347  5908.23    342.824  6411.75    486.925  5413.31    482.754  108.517 4.1428  99.666  4.4720  8.850716       6.096061  
1 1 1 10  14  23 o 130.825 3.1346  9308.39    444.159  9644.13    629.957  8976.51    626.331  132.895 4.3766  128.180 4.5114  4.715454       6.285485  
1 1 1 10  14  24 o 65.199  2.4960  2310.04    176.259  2332.27    312.419  2299.66    213.477  65.119  4.4563  64.999  3.0323  0.1205673      5.390165  
1 1 1 10  14  25 o 45.471  1.9180  1122.54    94.463   914.852    294.873  1146.29    99.718   39.885  7.0853  45.944  2.0039  -6.059032      7.363264  
1 1 1 10  14  26 o 37.880  7.0048  831.605    276.810  1003.59    371.827  617.791    414.590  41.116  8.6248  32.382  10.413  8.733570       13.52115  
1 1 1 10  14  27 o 60.401  5.1122  2042.51    331.305  2054.74    450.373  2028.09    489.090  59.699  7.1047  58.919  7.8601  0.7800903      10.59521  
1 1 1 10  14  28 o 61.243  3.9000  2078.43    257.351  2336.80    351.759  1780.87    377.500  64.457  5.0797  55.614  6.3827  8.843300       8.157347  
1 1 1 10  14  29 o 17.391  7.3394  49.969     236.915  -62.9118   335.879  161.740    334.224  18.511  8.2551  21.760  8.9084  -3.248617      12.14517  
1 1 1 10  14  30 o 33.706  1.9933  622.293    72.446   653.486    366.048  621.021    73.908   31.376  9.7461  33.663  2.0366  -2.287251      9.956651  
1 1 1 10  14  31 o 37.259  6.4899  861.140    252.382  701.005    334.186  1073.71    385.035  31.533  9.2093  39.299  9.2070  -7.766739      13.02226  
1 1 1 10  14  32 o 50.358  2.1261  1395.18    115.962  1322.31    351.937  1404.05    122.820  44.892  7.5029  50.472  2.2467  -5.579578      7.832099  
1 1 1 10  14  33 o 20.903  7.9287  283.990    247.135  67.762     323.161  588.584    383.551  18.175  8.1018  26.899  9.9444  -8.724522      12.82691  
1 1 1 10  14  34 o 20.507  8.6135  261.602    323.833  433.392    417.527  2.2440     513.022  23.396  9.8014  19.614  9.2547  3.781740       13.48023  
1 1 1 10  15  0  o 205.282 4.1186  22827.82   915.729  21207.53   1384.37  24088.32   1221.03  197.822 6.4611  210.853 5.3466  -13.03116      8.386399  
1 1 1 10  15  1  o 698.476 16.298  265382.59  12329.46 274686.69  17436.90 256079.41  17436.08 709.139 22.702  684.484 23.519  24.65424       32.68827  
1 1 1 10  15  2  o 510.213 9.8975  141211.20  5469.47  141543.50  6697.87  140546.00  9475.78  510.600 12.111  508.150 17.217  2.450623       21.04991  
1 1 1 10  15  3  f 325.585 5.6850  57440.53   2004.77  57006.28   2835.09  57874.83   2835.25  324.258 8.0724  326.722 8.0121  -2.463654      11.37354  
1 1 1 10  15  4  o 260.453 4.8026  36752.28   1354.81  38050.96   1916.10  35453.91   1915.87  264.962 6.6768  255.752 6.9163  9.209564       9.613270  
1 1 1 10  15  5  o 144.328 3.7772  11284.06   590.468  11784.94   722.563  10277.20   1024.45  147.488 4.5232  137.694 6.8692  9.793671       8.224697  
1 1 1 10  15  6  o 465.205 11.075  117509.70  5580.23  116729.50  7893.44  118289.30  7889.84  463.038 15.739  466.138 15.627  -3.100922      22.17952  
1 1 1 10  15  7  o 399.374 13.623  86771.00   5892.99  0.0000     0.0000   86771.00   5892.99  ?       ?       399.374 13.623  0.000000       13.62341  
1 1 1 10  15  8  o 45.956  4.3514  1154.61    214.013  985.435    342.704  1262.76    274.010  41.946  7.8313  47.970  5.3658  -6.024132      9.493221  
1 1 1 10  15  9  o 114.031 2.8737  7043.82    354.929  7246.79    504.621  6845.09    499.313  115.647 4.0287  112.395 4.1016  3.252052       5.749210  
1 1 1 10  15  10 o 420.305 7.1131  95861.42   3238.13  96869.03   4580.15  94854.48   4578.67  422.090 10.019  417.661 10.122  4.429260       14.24133  
1 1 1 10  15  11 o 196.087 3.7875  20836.98   804.408  21017.12   1140.01  20658.35   1135.22  196.866 5.3465  195.177 5.3701  1.688705       7.577746  
1 1 1 10  15  12 o 194.900 3.7909  20587.84   800.245  19905.61   1133.19  21266.53   1130.25  191.561 5.4617  198.012 5.2700  -6.451401      7.589660  
1 1 1 10  15  13 o 242.473 4.7771  31885.24   1254.57  31998.85   1662.89  31735.13   1911.41  242.774 6.3240  241.671 7.3023  1.103424       9.660049  
1 1 1 10  15  14 o 250.577 4.5598  34054.42   1237.52  34556.26   1750.94  33553.52   1749.30  252.232 6.4092  248.535 6.4984  3.696838       9.127235  
1 1 1 10  15  15 o 275.990 6.1931  41377.49   1851.29  41888.36   2063.44  39269.30   4191.71  277.591 6.8630  266.639 14.570  10.95285       16.10504  
1 1 1 10  15  16 o 428.520 8.3953  100068.30  3896.51  89472.75   6748.28  105367.70  4772.47  402.195 15.491  439.134 10.034  -36.93839      18.45698  
1 1 1 10  15  17 o 204.451 4.1721  22676.03   923.875  21980.22   1231.70  23571.07   1396.96  201.145 5.6536  208.231 6.1940  -7.086075      8.386220  
1 1 1 10  15  18 o 184.273 3.6569  18417.72   729.867  17665.72   1029.50  19177.64   1034.90  180.321 5.2712  187.900 5.0851  -7.578979      7.324204  
1 1 1 10  15  19 o 115.635 2.9098  7249.69    364.443  7393.42    515.792  7106.39    515.009  116.710 4.0803  114.418 4.1558  2.292747       5.824044  
1 1 1 10  15  20 o 87.652  2.9826  4167.09    283.155  3747.17    398.462  4595.46    402.451  82.922  4.4529  91.988  4.0393  -9.066338      6.012022  
1 1 1 10  15  21 o 62.567  3.3548  2131.61    226.515  1878.39    319.113  2388.76    321.581  58.500  5.0870  66.105  4.5185  -7.604988      6.804024  
1 1 1 10  15  22 o 21.927  6.5422  267.194    167.164  270.239    237.233  264.191    235.587  23.045  7.8929  22.857  7.8638  0.1880970      11.14170  
1 1 1 10  15  23 o 33.757  4.8223  635.675    171.308  651.223    235.160  618.094    250.057  33.786  6.6631  32.791  7.2347  0.9945068      9.835492  
1 1 1 10  15  24 o 83.977  2.4120  3831.57    219.389  3823.71    375.756  3835.64    270.233  83.624  4.1486  83.951  2.9720  -0.3262405     5.103284  
1 1 1 10  15  25 o 36.945  1.3770  740.144    55.102   621.178    284.857  744.768    56.163   32.518  8.1141  37.059  1.3992  -4.541420      8.233861  
1 1 1 10  15  26 o 18.193  1.7948  181.466    34.906   189.033    35.154   -348.1762  294.102  18.575  1.7687  14.435  6.8684  4.139905       7.092522  
1 1 1 10  15  27 o 50.775  5.6437  1458.49    305.121  1525.65    412.946  1377.74    452.819  51.050  7.7086  47.797  9.0789  3.252872       11.91003  
1 1 1 10  15  28 o 49.309  2.7669  1333.77    147.174  1266.73    161.013  1674.24    362.851  47.967  3.1161  53.914  6.3345  -5.946732      7.059468  
1 1 1 10  15  29 o 80.636  3.6226  3592.05    316.388  3767.77    439.386  3402.83    455.953  81.734  4.9872  77.344  5.4783  4.390121       7.408347  
1 1 1 10  15  30 o 18.194  7.3661  119.923    225.459  268.824    301.506  -68.9504   339.573  22.704  8.7226  18.190  8.1913  4.513306       11.96583  
1 1 1 10  15  31 o 53.711  4.9477  1688.55    284.592  1561.12    396.336  1824.19    408.908  49.191  7.6906  53.720  7.2097  -4.528778      10.54164  
1 1 1 10  15  32 o 29.015  7.8392  574.953    252.185  1042.61    333.623  -48.4753   385.199  39.142  8.1350  18.421  8.4599  20.72042       11.73660  
1 1 1 10  15  33 o 49.483  6.0430  1542.75    317.151  1353.21    477.139  1692.78    424.499  40.245  10.745  49.070  8.2820  -8.824741      13.56611  
1 1 1 10  15  34 o 21.513  8.7841  321.609    323.894  701.316    421.286  -227.2580  506.508  27.666  10.383  17.983  8.6757  9.683187       13.53087  
1 1 1 10  16  0  o 520.350 9.6083  146859.41  5415.17  162188.00  9382.75  139203.41  6630.99  546.105 15.863  506.377 12.090  39.72803       19.94509  
1 1 1 10  16  1  o 345.501 5.8010  64682.57   2170.80  62184.70   3069.82  67180.94   3070.12  338.660 8.3691  352.018 8.0523  -13.35757      11.61385  
1 1 1 10  16  2  o 366.099 6.1343  72630.91   2432.39  72696.48   3440.02  72565.34   3439.81  366.145 8.6744  365.814 8.6817  0.3308105      12.27256  
1 1 1 10  16  3  o 399.755 8.2427  86648.23   3568.89  87208.08   4369.82  85526.73   6184.81  400.925 10.063  396.664 14.396  4.260986       17.56422  
1 1 1 10  16  4  o 60.347  2.9980  1972.54    195.956  2110.01    371.308  1919.48    230.699  62.152  5.5751  59.418  3.6017  2.733517       6.637304  
1 1 1 10  16  5  o 528.544 12.492  151762.00  7151.12  149478.80  10114.09 154044.41  10112.35 523.704 17.831  531.693 17.560  -7.988464      25.02569  
1 1 1 10  16  6  o 175.915 7.1120  16777.79   1355.08  0.0000     0.0000   16777.79   1355.08  ?       ?       175.915 7.1120  0.000000       7.111972  
1 1 1 10  16  7  o 423.985 14.382  97863.29   6604.45  0.0000     0.0000   97863.29   6604.45  ?       ?       423.985 14.382  0.000000       14.38190  
1 1 1 10  16  8  o 516.402 9.9220  144837.41  5549.56  147996.00  6797.96  138526.80  9608.84  521.645 12.032  503.452 17.621  18.19354       21.33735  
1 1 1 10  16  9  o 152.097 3.1972  12532.42   526.697  12903.65   747.136  12165.68   742.608  154.307 4.4704  149.827 4.5761  4.479874       6.397278  
1 1 1 10  16  10 o 81.341  2.7432  3584.22    241.678  3419.53    348.211  3737.28    335.699  79.332  4.0662  83.049  3.7320  -3.717232      5.519240  
1 1 1 10  16  11 o 148.217 3.2032  11902.88   514.228  12400.83   730.126  11412.76   724.364  151.250 4.4569  145.094 4.6093  6.155579       6.411693  
1 1 1 10  16  12 o 249.189 4.5587  33667.34   1230.40  33524.40   1740.18  33810.24   1739.91  248.512 6.4651  249.572 6.4366  -1.059799      9.122944  
1 1 1 10  16  13 o 219.339 4.1101  26081.81   976.424  26701.07   1384.00  25468.12   1377.77  221.812 5.7608  216.621 5.8722  5.190659       8.226162  
1 1 1 10  16  14 o 160.662 3.3402  13990.00   581.238  15028.26   823.477  12959.18   820.521  166.458 4.5675  154.557 4.9015  11.90085       6.699764  
1 1 1 10  16  15 o 135.966 3.6446  10022.36   536.721  10718.29   636.239  8304.92    999.487  140.584 4.1784  123.328 7.5184  17.25613       8.601491  
1 1 1 10  16  16 o 272.052 5.6420  40195.91   1662.47  41709.77   2881.11  39440.27   2035.52  276.377 9.6247  269.279 6.9791  7.097626       11.88880  
1 1 1 10  16  17 o 160.271 3.5934  13928.75   623.772  13359.98   848.573  14597.38   920.049  156.870 4.9943  163.958 5.1809  -7.088242      7.196219  
1 1 1 10  16  18 o 179.395 3.5833  17454.92   696.240  16689.43   978.558  18239.71   990.820  175.275 5.1546  183.253 4.9920  -7.977707      7.175646  
1 1 1 10  16  19 o 72.031  2.5377  2812.34    197.980  2769.78    327.202  2836.92    248.664  71.299  4.2564  72.327  3.1743  -1.027260      5.309730  
1 1 1 10  16  20 o 97.790  2.9568  5186.76    313.177  5382.06    435.921  4978.43    450.223  99.547  4.0431  95.720  4.3426  3.826714       5.933378  
1 1 1 10  16  21 o 245.246 4.4273  32725.41   1176.01  31289.62   1662.42  34163.66   1663.84  239.189 6.4169  250.035 6.1438  -10.84590      8.883914  
1 1 1 10  16  22 o 72.066  3.0426  2821.17    237.493  2871.32    328.232  2766.07    344.060  72.485  4.1988  71.092  4.4914  1.392311       6.148396  
1 1 1 10  16  23 o 99.648  2.9246  5398.23    315.648  5639.03    449.158  5163.27    443.680  101.662 4.0792  97.255  4.2120  4.407021       5.863497  
1 1 1 10  16  24 o 103.948 2.8690  5878.87    323.015  6364.88    468.117  5437.12    446.287  107.921 4.0048  99.717  4.1321  8.204132       5.754364  
1 1 1 10  16  25 o 33.895  1.3379  622.969    49.118   288.377    284.048  633.283    49.869   24.010  8.6042  34.174  1.3473  -10.16449      8.709017  
1 1 1 10  16  26 o 34.917  5.8485  696.216    213.359  821.342    287.313  542.381    318.573  37.517  7.3334  30.297  9.0297  7.220304       11.63250  
1 1 1 10  16  27 o 42.686  6.4338  1049.51    288.220  1396.44    388.237  623.526    430.196  48.847  7.5842  32.194  10.625  16.65255       13.05392  
1 1 1 10  16  28 o 18.772  7.7280  93.063     253.268  349.787    334.377  -252.4329  387.904  25.499  9.3077  17.989  8.3423  7.510178       12.49907  
1 1 1 10  16  29 o 27.711  1.4592  418.374    43.642   66.671     285.014  426.818    44.163   19.008  8.0375  27.990  1.4618  -8.981499      8.169307  
1 1 1 10  16  30 o 14.907  6.6743  -55.4562   221.915  -44.2564   296.100  -69.8090   335.196  17.333  7.7386  18.043  8.1304  -0.7106895     11.22452  
1 1 1 10  16  31 o 21.372  7.5948  280.162    220.873  135.628    316.982  416.565    307.938  19.803  8.4292  24.973  8.9577  -5.169817      12.30009  
1 1 1 10  16  32 o 39.173  6.3408  963.442    259.839  854.128    343.519  1109.62    397.244  34.308  9.0966  38.847  9.5163  -4.539452      13.16470  
1 1 1 10  16  33 o 45.844  6.4631  1352.64    312.009  1685.67    469.614  1089.46    417.468  47.213  9.5123  36.586  10.169  10.62715       13.92433  
1 1 1 10  16  34 o 20.636  8.6347  268.254    323.481  450.919    414.866  -15.0246   516.640  23.690  9.8341  19.555  9.2452  4.134693       13.49753  
1 1 1 10  17  0  o 246.953 4.5451  33038.65   1215.71  31996.66   1718.94  34081.45   1719.60  242.983 6.5315  250.779 6.3309  -7.796509      9.096223  
1 1 1 10  17  1  o 324.337 6.5343  57010.18   2295.45  60669.22   3972.64  55176.24   2812.47  334.360 10.970  319.013 8.1397  15.34732       13.65976  
1 1 1 10  17  2  o 199.988 3.9331  21665.38   851.943  22166.42   1205.49  21165.44   1204.17  202.261 5.5028  197.639 5.6253  4.621918       7.869213  
1 1 1 10  17  3  o 560.633 11.040  170594.91  6703.99  174226.20  8209.97  163328.59  11613.66 566.272 13.386  547.255 19.593  19.01752       23.72935  
1 1 1 10  17  4  o 352.272 8.5826  67299.56   3274.68  67464.66   4632.53  67134.66   4629.67  352.455 12.135  351.590 12.157  0.8648987      17.17747  
1 1 1 10  17  5  o 193.219 7.5639  20241.97   1582.96  0.0000     0.0000   20241.97   1582.96  ?       ?       193.219 7.5639  0.000000       7.563946  
1 1 1 10  17  6  o 129.456 6.0887  9083.57    853.725  0.0000     0.0000   9083.57    853.725  ?       ?       129.456 6.0887  0.000000       6.088692  
1 1 1 10  17  7  o 301.047 6.1807  49129.96   2015.30  49409.52   2469.79  48572.96   3486.19  301.828 7.5549  299.030 10.764  2.797241       13.15053  
1 1 1 10  17  8  o 255.918 5.4623  35500.86   1514.07  35039.06   1856.12  36419.21   2617.48  254.188 6.7419  258.981 9.3314  -4.793335      11.51205  
1 1 1 10  17  9  o 144.866 3.1843  11369.19   499.626  11039.17   708.491  11695.67   704.680  142.720 4.5833  146.906 4.4287  -4.186111      6.373413  
1 1 1 10  17  10 o 386.224 6.5825  80930.75   2753.61  82649.51   3895.29  79213.91   3893.11  389.961 9.2225  381.741 9.4158  8.219971       13.17999  
1 1 1 10  17  11 o 147.538 3.1858  11794.12   509.085  12484.55   722.011  11111.51   717.916  151.760 4.3926  143.164 4.6299  8.595886       6.382029  
1 1 1 10  17  12 o 260.084 4.6880  36678.85   1320.60  36614.94   1868.27  36742.67   1866.94  259.693 6.6421  260.147 6.6259  -0.4542236     9.381890  
1 1 1 10  17  13 o 279.267 5.0017  42304.31   1512.90  41225.89   2139.90  43382.06   2139.23  275.448 7.1727  282.583 6.9894  -7.135132      10.01499  
1 1 1 10  17  14 o 290.158 5.4265  45693.06   1705.39  47814.72   2249.31  42824.45   2615.46  296.605 7.0017  280.443 8.6106  16.16238       11.09799  
1 1 1 10  17  15 o 291.000 5.4672  45971.43   1723.18  45394.98   2271.35  46753.13   2645.00  288.901 7.2588  292.991 8.3349  -4.089508      11.05267  
1 1 1 10  17  16 o 210.110 4.6400  23954.10   1055.94  25050.53   1831.02  23407.74   1292.53  214.473 7.8822  207.593 5.7485  6.880157       9.755798  
1 1 1 10  17  17 o 62.964  2.4314  2148.26    165.812  1858.09    303.714  2271.48    197.909  58.305  4.8535  64.738  2.8225  -6.432751      5.614509  
1 1 1 10  17  18 o 173.430 3.6294  16314.39   681.750  15857.28   917.920  16876.75   1018.13  170.867 4.9599  176.234 5.3339  -5.366699      7.283627  
1 1 1 10  17  19 o 233.104 4.5227  29512.36   1141.87  28437.17   1514.46  30928.84   1738.28  228.543 6.1182  238.211 6.7373  -9.667999      9.100726  
1 1 1 10  17  20 o 185.147 3.6839  18609.79   738.747  18026.59   1041.26  19200.88   1048.27  181.987 5.2826  187.844 5.1523  -5.856995      7.379188  
1 1 1 10  17  21 o 118.102 3.0175  7570.57    385.991  7296.64    544.474  7847.34    547.286  115.806 4.3409  120.114 4.2068  -4.307556      6.044846  
1 1 1 10  17  22 o 56.523  3.2829  1742.33    200.118  1658.11    272.014  1841.69    295.455  54.945  4.6135  57.904  4.7529  -2.958496      6.623775  
1 1 1 10  17  23 o 131.460 3.1544  9401.71    449.131  9681.07    620.972  9095.26    650.382  133.137 4.3063  128.953 4.6566  4.183273       6.342545  
1 1 1 10  17  24 o 193.520 3.8256  20451.32   801.851  21070.80   1076.98  19680.79   1201.13  195.809 5.0781  188.775 5.8746  7.033600       7.765170  
1 1 1 10  17  25 o 77.107  2.7345  3236.95    228.368  3388.40    378.269  3150.10    286.463  78.420  4.4720  75.940  3.4828  2.480278       5.668249  
1 1 1 10  17  26 o 52.107  2.1921  1476.52    123.715  1239.91    298.566  1525.57    135.934  46.770  6.0347  52.947  2.3704  -6.177685      6.483566  
1 1 1 10  17  27 o 36.990  5.6765  782.264    220.158  987.272    297.151  532.784    327.801  41.180  6.9068  29.829  9.2159  11.35125       11.51677  
1 1 1 10  17  28 o 15.505  2.3235  133.963    37.819   453.848    339.353  129.940    38.056   27.762  9.4404  15.255  2.3809  12.50680       9.736038  
1 1 1 10  17  29 o 42.755  2.4300  1002.23    112.066  1231.00    397.278  982.455    116.810  44.674  8.5215  42.301  2.5616  2.372585       8.898190  
1 1 1 10  17  30 o 16.296  7.0200  24.926     224.708  -221.6856  298.383  348.035    341.541  15.294  7.1662  24.656  9.3283  -9.361951      11.76314  
1 1 1 10  17  31 o 58.825  4.3400  1991.22    274.564  1388.66    368.714  2741.24    411.360  46.382  7.6031  67.720  5.6602  -21.33865      9.478675  
1 1 1 10  17  32 o 51.862  4.6433  1579.05    258.058  1665.94    365.149  1492.36    364.749  51.196  6.7497  47.905  7.2571  3.291126       9.910768  
1 1 1 10  17  33 o 18.141  7.7939  125.757    275.570  146.614    405.884  107.923    375.336  20.255  9.0507  19.420  8.6885  0.8352928      12.54613  
1 1 1 10  17  34 o 29.437  9.3792  712.170    336.931  603.843    434.906  874.789    532.862  25.928  10.322  28.964  11.458  -3.035221      15.42205  
1 1 1 10  18  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  18  1  o 790.101 26.212  342141.00  22430.90 342141.00  22430.90 0.0000     0.0000   790.101 26.212  ?       ?       0.000000       26.21161  
1 1 1 10  18  2  o 575.634 12.689  179965.41  7911.15  186921.09  19083.92 178522.09  8693.29  581.934 30.383  573.140 14.004  8.793518       33.45518  
1 1 1 10  18  3  o 727.833 17.014  288432.81  13412.49 283963.81  18968.73 292901.09  18967.52 720.156 24.319  731.525 23.939  -11.36877      34.12466  
1 1 1 10  18  4  o 652.600 21.715  232776.91  15349.18 0.0000     0.0000   232776.91  15349.18 ?       ?       652.600 21.715  0.000000       21.71541  
1 1 1 10  18  5  o 708.441 23.567  274996.41  18082.95 0.0000     0.0000   274996.41  18082.95 ?       ?       708.441 23.567  0.000000       23.56652  
1 1 1 10  18  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  18  7  o 476.467 9.3211  123235.90  4810.26  121637.20  5892.49  126429.40  8328.34  473.074 11.500  481.498 15.970  -8.424011      19.67942  
1 1 1 10  18  8  f 91.930  2.7139  4577.77    270.226  4474.03    385.951  4677.54    378.472  90.871  3.9214  92.916  3.7607  -2.045509      5.433253  
1 1 1 10  18  9  f 416.654 7.1459  94189.84   3224.79  92851.22   4561.12  95527.78   4559.97  413.284 10.189  419.221 10.043  -5.937164      14.30666  
1 1 1 10  18  10 o 377.024 6.4995  77121.73   2654.10  76735.47   3754.35  77507.62   3752.58  375.729 9.2255  377.622 9.1749  -1.893311      13.01111  
1 1 1 10  18  11 o 154.725 3.3014  12971.94   553.259  13580.14   783.836  12368.09   781.026  158.270 4.5725  151.035 4.7744  7.235275       6.610807  
1 1 1 10  18  12 o 151.241 3.2449  12394.97   531.550  12731.71   752.868  12060.28   750.589  153.237 4.5361  149.137 4.6467  4.099762       6.493723  
1 1 1 10  18  13 o 151.755 3.3619  12481.07   552.584  12823.16   753.136  12082.17   813.268  153.774 4.5219  149.241 5.0312  4.533066       6.764677  
1 1 1 10  18  14 o 268.597 4.7980  39136.67   1395.82  39678.32   1975.35  38596.50   1972.64  270.223 6.7492  266.503 6.8340  3.720581       9.604966  
1 1 1 10  18  15 o 212.229 4.2582  24428.69   978.808  24082.37   1302.46  24878.06   1483.66  210.594 5.7102  213.971 6.4019  -3.376923      8.578494  
1 1 1 10  18  16 o 391.323 9.4991  83612.08   4026.14  84143.21   5694.50  83081.20   5693.14  390.966 13.448  388.451 13.531  2.514557       19.07722  
1 1 1 10  18  17 o 141.963 3.2617  10926.10   501.514  10939.76   687.901  10910.61   732.715  141.984 4.4732  141.774 4.7716  0.2093811      6.540493  
1 1 1 10  18  18 o 262.148 4.9536  37326.20   1406.49  36333.53   1859.99  38651.80   2149.39  258.335 6.6475  266.268 7.4529  -7.933411      9.986740  
1 1 1 10  18  19 o 94.982  2.7678  4891.14    284.745  4731.61    419.732  5027.16    387.568  93.356  4.1511  96.251  3.7177  -2.895248      5.572494  
1 1 1 10  18  20 o 191.307 3.7629  19872.00   779.683  19232.15   1099.21  20519.89   1106.10  187.940 5.4000  194.157 5.2598  -6.216904      7.538244  
1 1 1 10  18  21 o 123.053 3.0662  8219.92    408.664  8331.41    572.304  8103.92    583.744  123.746 4.2700  122.026 4.4167  1.720833       6.143292  
1 1 1 10  18  22 o 52.073  3.4311  1480.81    192.429  1632.43    261.280  1301.07    284.469  54.536  4.4625  48.455  5.5188  6.080402       7.097223  
1 1 1 10  18  23 o 46.813  2.2161  1189.53    112.363  1322.73    251.782  1156.40    125.560  48.929  4.8134  46.072  2.5258  2.856236       5.435840  
1 1 1 10  18  24 o 72.357  3.1808  2851.95    249.283  3161.84    355.491  2552.13    349.661  75.876  4.3437  68.040  4.7750  7.836235       6.455099  
1 1 1 10  18  25 o 40.377  4.7785  909.364    204.921  747.261    275.506  1110.10    306.583  35.853  7.3418  44.138  6.6169  -8.285454      9.883604  
1 1 1 10  18  26 o 44.607  1.7900  1080.58    86.480   705.494    277.855  1120.81    91.000   34.611  7.6184  45.425  1.8496  -10.81422      7.839727  
1 1 1 10  18  27 f 17.724  7.0501  106.148    202.738  239.137    267.812  -72.3666   310.284  22.292  8.2960  17.928  7.9686  4.363758       11.50307  
1 1 1 10  18  28 o 16.052  7.1049  -48.5391   244.169  96.808     319.091  -253.8753  379.267  20.495  8.5759  17.717  8.2275  2.778534       11.88435  
1 1 1 10  18  29 o 23.521  8.4739  304.504    275.858  432.152    348.882  91.580     450.591  27.044  9.5522  22.990  9.9219  4.054800       13.77278  
1 1 1 10  18  30 o 20.198  7.6192  210.844    227.430  29.593     301.062  451.764    347.097  18.428  8.0310  26.725  9.5182  -8.296436      12.45364  
1 1 1 10  18  31 f 22.375  7.8345  317.252    234.329  510.500    312.797  70.086     353.752  27.040  9.0642  19.503  8.5960  7.537037       12.49203  
1 1 1 10  18  32 o 44.461  5.6336  1206.05    265.204  1433.42    354.816  918.216    399.205  46.950  7.2078  34.369  10.073  12.58092       12.38643  
1 1 1 10  18  33 o 17.997  8.1738  24.926     346.771  -386.7700  488.054  444.664    492.798  17.114  8.3176  24.317  10.434  -7.203167      13.34368  
1 1 1 10  18  34 o 21.569  8.7762  324.323    321.880  369.239    416.272  257.535    507.609  22.557  9.6320  21.742  9.8802  0.8155937      13.79831  
1 1 1 10  19  0  f 287.248 5.2568  44705.98   1635.51  46246.79   1887.74  40068.23   3275.07  292.136 5.9661  271.711 11.129  20.42480       12.62702  
1 1 1 10  19  1  o 269.936 4.5700  39475.23   1336.12  37112.55   1724.23  43026.33   2113.85  261.696 6.0831  281.748 6.9270  -20.05225      9.218874  
1 1 1 10  19  2  o 239.876 7.2508  31191.15   1883.84  32742.49   3245.33  30402.77   2313.52  245.552 12.202  236.762 9.0217  8.789566       15.17534  
1 1 1 10  19  3  o 248.231 9.0771  33422.20   2440.47  0.0000     0.0000   33422.20   2440.47  ?       ?       248.231 9.0771  0.000000       9.077103  
1 1 1 10  19  4  o 169.153 6.9732  15510.56   1277.56  0.0000     0.0000   15510.56   1277.56  ?       ?       169.153 6.9732  0.000000       6.973194  
1 1 1 10  19  5  o 386.643 9.3267  81112.41   3905.79  82607.25   5523.37  79617.31   5523.87  389.830 13.082  382.683 13.327  7.147003       18.67448  
1 1 1 10  19  6  o 483.472 9.2687  126853.90  4853.56  127372.40  5945.79  125818.40  8402.59  484.205 11.337  480.461 16.147  3.743927       19.72945  
1 1 1 10  19  7  o 681.211 11.391  252232.70  8404.75  248174.20  11886.30 256291.00  11885.94 674.422 16.272  685.444 16.010  -11.02203      22.82768  
1 1 1 10  19  8  o 654.879 10.829  233141.50  7681.31  237896.00  10863.65 228388.09  10862.38 660.308 15.190  646.878 15.504  13.43048       21.70482  
1 1 1 10  19  9  o 293.749 5.0841  46775.49   1617.57  48107.53   2289.67  45448.29   2285.50  297.763 7.0996  289.401 7.2914  8.361847       10.17685  
1 1 1 10  19  10 o 109.104 2.8080  6448.70    331.826  6494.89    477.228  6405.47    461.702  109.473 4.0248  108.719 3.9209  0.7541656      5.618962  
1 1 1 10  19  11 o 224.476 4.1815  27313.58   1016.66  27878.64   1438.21  26749.20   1437.34  226.686 5.8577  222.038 5.9767  4.647507       8.368607  
1 1 1 10  19  12 o 125.123 3.0009  8482.88    406.685  8244.70    577.531  8717.16    572.777  123.318 4.3239  126.807 4.1703  -3.489052      6.007338  
1 1 1 10  19  13 o 175.806 3.6991  16753.71   704.370  16990.12   948.586  16463.15   1051.62  176.978 4.9487  174.173 5.5745  2.804947       7.454167  
1 1 1 10  19  14 o 186.496 3.7100  18855.25   749.399  19090.77   1059.08  18619.09   1060.54  187.563 5.2133  185.226 5.2863  2.336899       7.424556  
1 1 1 10  19  15 o 402.315 7.3828  88052.01   3217.06  83682.96   4217.25  94133.16   4975.41  391.486 9.9459  414.805 11.074  -23.31894      14.88487  
1 1 1 10  19  16 o 178.214 4.1777  17227.48   806.400  17458.57   988.669  16768.20   1393.81  179.336 5.0900  175.530 7.3313  3.805710       8.925008  
1 1 1 10  19  17 o 135.996 3.2150  10026.74   473.558  9939.24    653.383  10123.58   687.329  135.334 4.4575  136.571 4.6466  -1.236969      6.438968  
1 1 1 10  19  18 o 27.467  2.1899  411.410    64.607   975.087    224.421  360.473    67.463   42.072  5.0243  25.673  2.4561  16.39872       5.592550  
1 1 1 10  19  19 o 242.949 4.6819  32068.68   1231.98  31805.73   1633.40  32415.65   1876.32  241.647 6.2408  243.745 7.1073  -2.098053      9.458385  
1 1 1 10  19  20 o 238.775 4.3981  30990.05   1137.42  30750.70   1606.30  31230.75   1610.82  237.407 6.2469  239.262 6.2159  -1.854645      8.812535  
1 1 1 10  19  21 o 91.345  2.9360  4528.88    290.474  4295.09    402.591  4782.75    419.516  88.853  4.1833  93.767  4.1308  -4.913948      5.879066  
1 1 1 10  19  22 o 74.615  2.9681  3024.56    239.868  2741.60    329.941  3341.76    349.338  70.784  4.3243  78.206  4.1389  -7.421783      5.985832  
1 1 1 10  19  23 o 43.315  2.0766  1018.15    97.423   1076.91    241.433  1006.72    106.476  44.025  5.1611  43.001  2.2944  1.024292       5.648160  
1 1 1 10  19  24 o 103.803 3.0493  5867.04    342.826  6383.54    491.720  5378.50    478.219  108.012 4.2031  99.083  4.4562  8.929718       6.125659  
1 1 1 10  19  25 o 88.735  3.1750  4295.86    305.148  4182.24    424.064  4417.88    439.435  87.116  4.5098  89.530  4.5466  -2.414055      6.403879  
1 1 1 10  19  26 o 47.320  4.2871  1241.89    217.338  1109.64    292.776  1404.23    324.371  44.100  6.3094  49.759  6.1496  -5.659073      8.810568  
1 1 1 10  19  27 o 55.208  2.4000  1661.14    143.508  2042.35    335.940  1576.05    158.719  60.313  5.1932  53.655  2.7403  6.657410       5.871852  
1 1 1 10  19  28 o 30.065  6.8007  538.408    216.277  306.125    289.184  833.244    325.803  23.928  8.6678  36.897  8.3476  -12.96956      12.03378  
1 1 1 10  19  29 o 95.891  4.5941  5149.40    477.142  5262.83    643.858  5011.22    710.636  95.435  6.2637  92.230  7.1702  3.204727       9.520762  
1 1 1 10  19  30 o 22.581  8.6164  277.025    292.963  569.892    380.353  -150.1636  459.368  29.156  9.9941  19.895  9.1741  9.260759       13.56633  
1 1 1 10  19  31 o 32.443  2.7735  587.667    96.521   1138.94    337.990  538.719    100.715  41.728  7.7641  30.958  3.0430  10.77022       8.339134  
1 1 1 10  19  32 o 36.313  2.5787  734.893    100.766  710.331    104.389  1070.40    385.811  35.640  2.7249  38.132  9.4012  -2.491524      9.788111  
1 1 1 10  19  33 o 19.856  8.4272  200.706    315.181  240.797    405.307  139.374    501.308  21.326  9.3053  21.137  9.6863  0.1887474      13.43177  
1 1 1 10  19  34 o 7.8361  3.2347  13.230     44.525   626.169    413.984  6.0567     44.785   26.468  10.207  7.5434  3.1876  18.92499       10.69325  
1 1 1 10  20  0  o 488.992 10.437  129745.90  5527.64  128717.50  6083.79  134611.41  13233.48 486.945 11.535  495.865 24.640  -8.920197      27.20641  
1 1 1 10  20  1  o 644.866 21.451  227098.41  14982.36 0.0000     0.0000   227098.41  14982.36 ?       ?       644.866 21.451  0.000000       21.45067  
1 1 1 10  20  2  o 598.567 19.951  195478.30  12934.40 0.0000     0.0000   195478.30  12934.40 ?       ?       598.567 19.951  0.000000       19.95094  
1 1 1 10  20  3  o 588.292 19.625  188834.91  12504.88 0.0000     0.0000   188834.91  12504.88 ?       ?       588.292 19.625  0.000000       19.62530  
1 1 1 10  20  4  o 585.831 13.825  186597.59  8772.06  187643.91  12400.01 185549.50  12411.14 586.318 19.526  583.006 19.655  3.311707       27.70532  
1 1 1 10  20  5  f 596.493 11.454  193262.41  7399.70  194304.30  9063.96  191180.30  12813.21 597.658 14.002  591.466 20.001  6.191833       24.41542  
1 1 1 10  20  6  o 465.412 8.9355  117546.00  4504.31  119093.60  5518.15  114455.80  7797.40  468.234 10.881  458.270 15.709  9.963135       19.10956  
1 1 1 10  20  7  o 417.238 7.1409  94418.85   3227.06  92183.78   4564.11  96653.20   4563.38  411.946 10.229  421.844 9.9877  -9.898376      14.29659  
1 1 1 10  20  8  o 383.453 6.6046  79744.73   2743.02  79515.80   3879.85  79973.53   3878.59  382.618 9.3622  383.722 9.3323  -1.103333      13.21902  
1 1 1 10  20  9  o 157.045 3.3354  13362.27   567.343  13568.00   804.734  13158.96   799.975  158.216 4.6961  155.811 4.7403  2.404465       6.672594  
1 1 1 10  20  10 o 273.365 4.8889  40514.14   1447.53  39501.00   2047.70  41526.09   2046.52  269.768 7.0082  276.612 6.8308  -6.844299      9.786478  
1 1 1 10  20  11 o 272.742 4.9054  40337.25   1449.09  40187.61   2050.00  40486.71   2048.66  272.058 6.9570  273.072 6.9266  -1.013641      9.817237  
1 1 1 10  20  12 o 357.242 6.1564  69271.60   2382.11  69390.52   3369.44  69152.77   3368.18  357.141 8.7106  356.526 8.7224  0.6145325      12.32696  
1 1 1 10  20  13 o 260.216 4.7285  36726.21   1332.68  35494.59   1885.34  37956.14   1884.06  255.604 6.8101  264.347 6.5804  -8.742462      9.469868  
1 1 1 10  20  14 o 40.942  3.3678  914.699    148.019  880.787    215.767  944.846    203.438  39.967  5.1008  41.482  4.6058  -1.514927      6.872454  
1 1 1 10  20  15 o 202.820 4.0512  22308.05   889.948  23719.64   1192.07  20530.73   1337.62  209.040 5.2651  194.378 6.3535  14.66194       8.251572  
1 1 1 10  20  16 o 104.812 3.4031  5955.61    386.327  5950.32    475.125  5965.93    663.659  104.736 4.1883  104.627 5.8802  0.1090469      7.219354  
1 1 1 10  20  17 o 147.138 3.8913  11743.26   620.134  10904.15   1030.17  12220.15   776.610  141.559 6.7189  150.035 4.7790  -8.476013      8.245203  
1 1 1 10  20  18 o 219.936 4.1661  26251.64   992.421  27512.38   1404.31  24993.82   1402.68  224.936 5.7641  214.351 6.0418  10.58568       8.350336  
1 1 1 10  20  19 o 133.552 3.1679  9673.83    458.242  9175.58    631.823  10226.78   665.599  129.968 4.4884  137.212 4.4787  -7.243973      6.340682  
1 1 1 10  20  20 o 144.407 3.2109  11316.13   502.216  10872.94   704.271  11774.68   716.365  141.401 4.5985  147.161 4.4944  -5.760376      6.430084  
1 1 1 10  20  21 f 167.392 3.4663  15223.52   628.448  14775.75   884.736  15679.52   892.838  164.632 4.9617  169.615 4.8600  -4.982971      6.945355  
1 1 1 10  20  22 o 64.355  2.4959  2248.05    173.975  1991.79    207.661  2851.41    318.637  60.450  3.1829  72.225  4.0900  -11.77548      5.182582  
1 1 1 10  20  23 o 105.578 2.9382  6061.84    335.990  6105.69    468.255  6015.31    482.384  105.753 4.0881  104.934 4.2443  0.8185272      5.892921  
1 1 1 10  20  24 o 64.662  3.3659  2285.66    234.923  2351.21    341.681  2226.88    323.524  65.258  4.8691  63.533  4.7355  1.724918       6.792150  
1 1 1 10  20  25 o 43.693  4.7563  1063.09    221.452  1040.08    313.905  1085.90    312.461  42.533  7.0616  43.550  6.8506  -1.016312      9.838510  
1 1 1 10  20  26 o 114.250 3.2050  7134.01    396.601  7342.04    554.360  6915.90    567.634  115.423 4.4344  111.911 4.6830  3.511452       6.449347  
1 1 1 10  20  27 o 32.616  5.9643  615.694    202.936  372.778    270.667  927.565    306.687  25.518  8.4278  39.638  7.4161  -14.12037      11.22617  
1 1 1 10  20  28 o 65.449  3.9271  2376.79    277.099  2329.74    390.461  2424.53    393.309  63.962  5.6958  65.303  5.6154  -1.340919      7.998403  
1 1 1 10  20  29 o 28.294  8.5324  497.127    283.216  728.442    357.254  105.851    464.641  33.683  9.4228  23.355  10.078  10.32852       13.79658  
1 1 1 10  20  30 o 26.133  8.8626  436.804    299.078  477.464    388.074  377.331    469.340  27.247  10.015  26.129  10.611  1.117739       14.59047  
1 1 1 10  20  31 o 40.935  6.1623  1029.81    264.743  964.886    372.864  1095.82    375.960  36.816  9.3369  39.754  8.9475  -2.937725      12.93193  
1 1 1 10  20  32 o 45.298  2.2859  1135.23    111.790  1208.66    349.680  1126.87    117.982  42.316  7.9207  45.071  2.4258  -2.755058      8.283850  
1 1 1 10  20  33 o 22.849  8.9001  373.306    317.210  362.862    407.914  389.284    504.540  22.932  9.6516  23.626  10.344  -0.6934185     14.14715  
1 1 1 10  20  34 o 20.583  8.8409  249.861    354.436  539.988    494.397  -56.9230   508.392  24.757  10.532  19.158  9.0906  5.599432       13.91290  
1 1 1 10  21  0  o 325.046 11.334  57352.76   3990.26  0.0000     0.0000   57352.76   3990.26  ?       ?       325.046 11.334  0.000000       11.33408  
1 1 1 10  21  1  o 627.744 20.898  215148.00  14208.90 0.0000     0.0000   215148.00  14208.90 ?       ?       627.744 20.898  0.000000       20.89815  
1 1 1 10  21  2  o 228.407 8.5080  28291.92   2104.78  0.0000     0.0000   28291.92   2104.78  ?       ?       228.407 8.5080  0.000000       8.507991  
1 1 1 10  21  3  o 623.098 20.760  212083.00  14010.51 0.0000     0.0000   212083.00  14010.51 ?       ?       623.098 20.760  0.000000       20.75999  
1 1 1 10  21  4  o 331.158 6.7006  59447.23   2403.36  59393.90   2945.28  59553.50   4157.69  330.929 8.2172  331.135 11.592  -0.2060547     14.20943  
1 1 1 10  21  5  o 332.535 6.4628  59944.21   2327.72  61293.04   2852.84  57257.76   4026.15  336.177 7.8350  324.654 11.450  11.52350       13.87393  
1 1 1 10  21  6  o 156.447 3.1875  13258.49   540.119  13473.60   765.432  13045.17   762.266  157.690 4.4816  155.162 4.5358  2.528366       6.376359  
1 1 1 10  21  7  o 451.083 7.5476  110384.50  3687.53  108202.30  5215.31  112566.00  5214.61  446.198 10.792  455.138 10.578  -8.940063      15.11137  
1 1 1 10  21  8  o 128.878 2.9945  8997.80    417.992  8778.51    590.950  9217.36    591.310  127.277 4.2868  130.422 4.1860  -3.144516      5.991539  
1 1 1 10  21  9  o 259.417 4.6598  36477.33   1309.30  36250.65   1852.84  36703.42   1850.41  258.493 6.6179  260.106 6.5682  -1.612793      9.324051  
1 1 1 10  21  10 o 438.904 7.4023  104596.60  3518.89  102080.70  4976.93  107111.50  4975.99  432.995 10.612  443.593 10.357  -10.59793      14.82846  
1 1 1 10  21  11 o 123.974 2.9277  8327.38    393.118  8162.68    556.859  8491.00    555.051  122.712 4.1897  125.158 4.0945  -2.446259      5.858251  
1 1 1 10  21  12 o 139.778 3.1550  10587.20   477.654  10404.93   676.123  10768.80   674.888  138.525 4.5064  140.930 4.4214  -2.404663      6.313155  
1 1 1 10  21  13 o 255.081 4.5938  35288.77   1269.18  36719.25   1795.57  33860.44   1794.21  260.022 6.3756  249.666 6.6351  10.35660       9.201752  
1 1 1 10  21  14 o 220.163 4.1679  26285.31   993.866  24639.84   1406.46  27926.45   1404.61  212.997 6.0966  226.798 5.7181  -13.80011      8.358484  
1 1 1 10  21  15 o 232.593 4.3166  29344.25   1087.45  28954.68   1537.63  29734.08   1538.14  230.856 6.1495  233.952 6.0701  -3.096085      8.640756  
1 1 1 10  21  16 o 146.962 3.7768  11711.92   601.173  11679.67   737.320  11775.88   1038.35  146.710 4.6401  147.169 6.5141  -0.4595642     7.997767  
1 1 1 10  21  17 o 129.498 3.6266  9094.63    508.669  9021.75    875.600  9131.75    624.941  128.796 6.2767  129.716 4.4481  -0.9197540     7.693040  
1 1 1 10  21  18 o 198.060 3.8751  21283.72   831.296  20658.16   1174.49  21911.71   1176.77  194.934 5.5628  200.783 5.4112  -5.848053      7.760530  
1 1 1 10  21  19 o 168.618 3.4942  15426.48   638.145  15096.13   901.820  15757.80   903.128  166.638 4.9966  170.264 4.8973  -3.625671      6.996401  
1 1 1 10  21  20 o 150.063 3.3273  12222.60   540.807  12218.61   736.743  12227.25   796.365  149.894 4.5380  149.895 4.9052  -0.4577637E-03 6.682361  
1 1 1 10  21  21 o 78.126  2.9481  3313.42    249.463  3337.62    343.963  3286.57    362.340  78.220  4.0741  77.581  4.3294  0.6386261      5.944894  
1 1 1 10  21  22 o 17.938  2.0398  176.778    38.925   404.587    204.534  168.218    39.650   26.607  7.0022  17.479  2.1389  9.127804       7.321618  
1 1 1 10  21  23 o 53.661  3.4289  1574.78    198.247  1513.00    274.712  1641.91    286.381  52.324  4.9046  54.526  4.9015  -2.202225      6.933963  
1 1 1 10  21  24 o 106.646 3.1275  6195.79    361.254  5978.46    505.540  6422.56    516.415  104.439 4.4691  108.268 4.4038  -3.828331      6.274292  
1 1 1 10  21  25 o 93.187  3.1744  4738.63    320.396  4947.41    447.363  4518.77    459.080  94.901  4.3523  90.475  4.7010  4.426094       6.406371  
1 1 1 10  21  26 o 31.917  6.4067  590.884    213.780  626.441    301.396  554.882    303.274  32.367  8.4914  30.520  8.7326  1.846600       12.18044  
1 1 1 10  21  27 o 18.608  7.0091  154.631    192.297  165.382    257.022  140.961    289.820  20.419  7.9953  20.711  8.3632  -0.2917156     11.57018  
1 1 1 10  21  28 o 22.405  2.1734  276.146    52.078   520.014    268.237  266.594    53.089   29.183  8.1653  21.996  2.2605  7.186733       8.472410  
1 1 1 10  21  29 o 43.789  5.1930  1098.24    241.491  1049.47    317.908  1164.78    371.319  41.738  7.2981  43.486  8.1839  -1.748436      10.96536  
1 1 1 10  21  30 o 43.987  7.1039  1192.18    326.915  1294.16    429.907  1052.36    503.397  44.049  9.3027  37.688  11.378  6.360554       14.69658  
1 1 1 10  21  31 o 21.260  8.5223  242.269    298.567  345.848    388.177  92.230     467.192  23.921  9.6720  21.538  9.6609  2.382542       13.67046  
1 1 1 10  21  32 o 12.781  6.0706  -199.9733  227.780  -330.4874  300.296  -23.1397   349.545  13.779  6.6554  17.898  8.1588  -4.119550      10.52906  
1 1 1 10  21  33 o 27.555  9.7001  621.377    359.485  949.551    502.729  277.999    514.243  31.444  11.423  22.474  10.104  8.970263       15.25015  
1 1 1 10  21  34 o 47.282  7.3860  1539.20    365.875  2003.81    477.096  875.831    570.085  51.814  8.8172  28.504  11.648  23.30963       14.60888  
1 1 1 10  22  0  o 453.530 15.314  111884.20  7522.62  0.0000     0.0000   111884.20  7522.62  ?       ?       453.530 15.314  0.000000       15.31415  
1 1 1 10  22  1  f 464.568 15.664  117430.00  7881.59  0.0000     0.0000   117430.00  7881.59  ?       ?       464.568 15.664  0.000000       15.66369  
1 1 1 10  22  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  22  3  o 243.145 8.9347  32069.59   2352.96  32069.59   2352.96  0.0000     0.0000   243.145 8.9347  ?       ?       0.000000       8.934650  
1 1 1 10  22  4  o 182.684 5.2109  18084.56   1031.07  17549.72   1472.18  18599.49   1444.51  179.902 7.5553  185.215 7.2007  -5.313324      10.43710  
1 1 1 10  22  5  o 153.826 3.2825  12817.85   546.892  12535.19   772.936  13101.22   773.908  152.099 4.6919  155.497 4.5951  -3.397888      6.567269  
1 1 1 10  22  6  o 303.180 5.0611  49814.34   1661.94  52064.14   2350.93  47566.81   2349.75  309.849 7.0052  296.145 7.3257  13.70374       10.13597  
1 1 1 10  22  7  o 260.806 4.5782  36860.85   1293.25  36687.42   1830.00  37033.87   1827.87  260.104 6.4958  261.332 6.4578  -1.227295      9.159584  
1 1 1 10  22  8  o 212.380 4.0351  24441.41   928.202  23672.05   1313.51  25208.81   1311.84  208.945 5.8041  215.629 5.6170  -6.683975      8.076985  
1 1 1 10  22  9  o 196.903 3.7752  21009.09   805.128  21105.70   1140.11  20912.98   1137.14  197.296 5.3353  196.392 5.3459  0.9032440      7.552745  
1 1 1 10  22  10 o 283.506 5.0994  43583.51   1565.86  42213.57   2215.17  44951.69   2213.75  278.823 7.3351  287.748 7.1031  -8.924438      10.21069  
1 1 1 10  22  11 o 96.466  2.7590  5041.63    288.264  5362.65    413.993  4739.50    401.623  99.470  3.8427  93.509  3.9655  5.960197       5.521856  
1 1 1 10  22  12 o 215.382 4.0565  25148.19   946.303  25316.44   1339.55  24980.57   1337.01  215.991 5.7260  214.551 5.7535  1.439636       8.117259  
1 1 1 10  22  13 o 79.911  2.7204  3460.02    235.451  3680.01    330.443  3233.15    335.573  82.394  3.7028  77.117  4.0316  5.276390       5.473993  
1 1 1 10  22  14 o 192.897 3.7875  20173.39   791.318  19676.85   1118.90  20670.29   1119.29  190.396 5.4258  195.154 5.2953  -4.757813      7.581545  
1 1 1 10  22  15 o 196.400 3.7591  20914.76   799.644  21669.47   1132.42  20164.17   1129.32  199.799 5.2329  192.718 5.4103  7.080170       7.526967  
1 1 1 10  22  16 o 205.340 4.8992  22886.40   1089.61  23201.41   1234.06  21772.19   2320.93  206.686 5.5126  199.122 10.802  7.563919       12.12726  
1 1 1 10  22  17 o 160.292 3.9450  13938.21   684.896  14205.71   1189.28  13805.46   837.766  161.551 6.7968  159.457 4.8507  2.094193       8.350204  
1 1 1 10  22  18 o 118.119 3.0587  7564.86    391.319  7645.50    555.746  7485.56    551.100  118.677 4.3235  117.428 4.3330  1.248535       6.121088  
1 1 1 10  22  19 f 95.679  2.9551  4964.56    306.243  4940.67    427.684  4989.70    438.712  95.385  4.1397  95.852  4.2258  -0.4666061     5.915626  
1 1 1 10  22  20 o 141.509 3.2225  10868.07   493.914  10985.30   676.817  10734.51   722.409  142.137 4.3964  140.458 4.7486  1.679062       6.471249  
1 1 1 10  22  21 o 81.271  2.9404  3585.79    258.829  3715.75    357.254  3442.22    375.506  82.644  3.9911  79.388  4.3841  3.256210       5.928672  
1 1 1 10  22  22 o 69.658  2.5686  2634.53    193.793  2712.73    327.141  2592.25    240.540  70.391  4.3117  69.047  3.2164  1.344482       5.379204  
1 1 1 10  22  23 o 87.202  2.9385  4136.11    277.539  3884.65    388.801  4397.38    396.305  84.200  4.2774  89.734  4.0776  -5.534004      5.909527  
1 1 1 10  22  24 o 20.630  6.9687  223.281    184.901  385.304    248.406  21.978     276.885  26.086  8.0165  18.592  7.8951  7.493462       11.25153  
1 1 1 10  22  25 o 81.208  3.1532  3598.55    277.341  3774.52    397.026  3430.86    387.582  82.747  4.4462  78.844  4.5581  3.903343       6.367496  
1 1 1 10  22  26 o 46.298  4.4017  1191.83    218.071  1113.89    297.724  1282.05    320.311  44.107  6.4206  47.379  6.4062  -3.272110      9.069881  
1 1 1 10  22  27 o 23.070  7.4299  303.236    211.006  391.875    303.051  219.828    293.971  26.247  8.9212  22.328  8.6038  3.919142       12.39412  
1 1 1 10  22  28 o 39.553  5.0825  890.418    212.700  1213.01    282.934  471.161    322.550  45.943  5.8161  27.977  9.1983  17.96555       10.88281  
1 1 1 10  22  29 o 54.109  1.7145  1593.56    100.479  1854.22    139.779  1314.85    144.537  58.269  2.2148  48.886  2.7408  9.383389       3.523826  
1 1 1 10  22  30 o 33.745  7.4754  721.026    266.023  352.451    321.796  1516.63    472.788  24.262  9.0810  47.468  9.5271  -23.20564      13.16169  
1 1 1 10  22  31 o 19.795  2.0608  217.270    43.535   397.652    384.910  214.932    43.816   24.738  9.7539  19.681  2.0874  5.057028       9.974714  
1 1 1 10  22  32 o 43.213  6.4289  1180.30    291.734  942.715    437.379  1370.71    391.561  33.895  10.674  44.461  8.4399  -10.56569      13.60760  
1 1 1 10  22  33 o 10.435  5.2666  -770.6581  281.773  -801.3576  357.518  -720.3224  457.795  12.260  6.1540  14.771  7.3437  -2.510477      9.581308  
1 1 1 10  22  34 o 13.550  6.6064  -361.0506  314.675  -196.1084  405.806  -609.8018  498.351  16.674  7.9705  15.805  7.8234  0.8689823      11.16845  
1 1 1 10  23  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  23  1  o 437.636 14.816  104172.00  7023.01  104172.00  7023.01  0.0000     0.0000   437.636 14.816  ?       ?       0.000000       14.81631  
1 1 1 10  23  2  o 261.450 9.4579  37086.41   2678.26  37086.41   2678.26  0.0000     0.0000   261.450 9.4579  ?       ?       0.000000       9.457863  
1 1 1 10  23  3  o 463.785 15.650  117106.20  7861.24  117106.20  7861.24  0.0000     0.0000   463.785 15.650  ?       ?       0.000000       15.64965  
1 1 1 10  23  4  o 404.674 13.795  89083.39   6046.57  89083.39   6046.57  0.0000     0.0000   404.674 13.795  ?       ?       0.000000       13.79537  
1 1 1 10  23  5  o 498.065 9.3263  134648.00  5031.14  132930.91  6160.36  138087.50  8718.47  494.586 11.500  503.277 15.994  -8.690674      19.69930  
1 1 1 10  23  6  o 569.033 10.872  175960.70  6700.87  173200.30  8205.66  181486.30  11609.60 564.040 13.432  575.985 18.610  -11.94421      22.95057  
1 1 1 10  23  7  o 276.754 5.0196  41513.45   1504.65  43009.50   2128.90  40020.21   2126.90  281.587 6.9803  271.610 7.2299  9.977661       10.04965  
1 1 1 10  23  8  o 101.317 2.7662  5560.77    303.554  5711.51    432.293  5414.16    426.349  102.667 3.8876  99.958  3.9380  2.708984       5.533628  
1 1 1 10  23  9  o 314.712 5.5755  53710.78   1900.50  52394.68   2688.53  55025.29   2686.89  310.608 7.9916  318.332 7.7929  -7.723907      11.16219  
1 1 1 10  23  10 o 210.104 4.0631  23926.21   924.610  23460.03   1308.95  24390.48   1306.25  207.956 5.8114  212.047 5.6875  -4.091522      8.131448  
1 1 1 10  23  11 o 121.954 2.9403  8058.37    388.378  8689.25    551.868  7439.32    546.668  126.611 4.0243  117.143 4.3086  9.467636       5.895708  
1 1 1 10  23  12 o 145.524 3.1927  11476.08   503.221  12086.36   712.613  10869.06   710.716  149.299 4.4068  141.572 4.6350  7.727310       6.395577  
1 1 1 10  23  13 o 174.786 3.5634  16559.51   674.600  16586.95   955.243  16532.21   952.819  174.851 5.0440  174.562 5.0395  0.2884827      7.130147  
1 1 1 10  23  14 o 221.930 4.1480  26709.41   997.068  26835.79   1410.46  26583.17   1409.68  222.304 5.8579  221.252 5.8825  1.051346       8.301744  
1 1 1 10  23  15 o 130.949 3.0610  9293.87    434.140  9802.11    615.840  8791.76    612.110  134.432 4.2296  127.305 4.4393  7.126678       6.131605  
1 1 1 10  23  16 o 241.656 5.5015  31718.03   1439.96  32318.90   1615.96  29401.60   3172.87  243.850 6.1184  230.863 12.738  12.98724       14.13153  
1 1 1 10  23  17 o 60.677  3.7290  2004.48    243.884  1997.50    429.706  2007.80    296.216  60.214  6.7025  60.650  4.5423  -0.4357719     8.096664  
1 1 1 10  23  18 o 122.539 3.0798  8141.93    408.753  8405.95    580.084  7881.56    576.064  124.436 4.3040  120.485 4.4144  3.951431       6.165322  
1 1 1 10  23  19 o 124.912 3.1135  8463.30    421.238  8320.29    596.719  8605.35    594.726  123.750 4.4520  125.860 4.3627  -2.110207      6.233294  
1 1 1 10  23  20 o 124.293 3.0735  8383.55    413.759  8491.95    583.480  8273.91    586.822  124.970 4.3107  123.346 4.3925  1.624329       6.154360  
1 1 1 10  23  21 o 143.728 3.2102  11221.33   499.737  11131.50   705.128  11311.99   708.353  142.932 4.5548  144.089 4.5389  -1.157181      6.430208  
1 1 1 10  23  22 o 76.679  2.9687  3195.44    246.557  3006.64    344.649  3393.36    352.864  74.110  4.3123  78.777  4.1502  -4.666924      5.985000  
1 1 1 10  23  23 o 66.518  3.3732  2416.39    242.234  2879.15    362.499  2043.04    325.606  72.366  4.6495  60.835  4.9854  11.53080       6.817010  
1 1 1 10  23  24 o 90.783  3.1557  4491.26    310.290  4183.04    431.742  4820.54    446.251  87.194  4.5877  93.778  4.3935  -6.583542      6.352142  
1 1 1 10  23  25 o 102.048 3.1842  5683.89    351.944  6026.70    492.063  5324.83    503.585  104.731 4.3378  98.311  4.7293  6.420380       6.417429  
1 1 1 10  23  26 o 36.262  5.3988  746.256    205.572  727.131    277.829  769.394    305.598  35.110  7.5317  35.969  8.0457  -0.8585472     11.02087  
1 1 1 10  23  27 o 37.548  5.2621  801.784    208.121  516.465    278.299  1163.82    313.488  29.271  8.3619  44.802  6.6631  -15.53135      10.69203  
1 1 1 10  23  28 o 36.455  5.3758  762.808    205.891  769.390    270.459  753.738    317.516  35.868  7.2119  34.951  8.4750  0.9165764      11.12825  
1 1 1 10  23  29 o 16.755  6.9070  75.079     202.645  338.914    270.852  -260.3941  305.417  24.150  8.4248  15.283  7.1897  8.866847       11.07557  
1 1 1 10  23  30 o 25.392  7.7948  412.913    234.929  467.339    314.812  344.512    352.925  26.648  9.0925  24.293  9.4086  2.354475       13.08419  
1 1 1 10  23  31 o 21.931  8.5876  280.593    296.515  334.111    382.447  199.946    469.483  23.632  9.5846  22.688  9.9542  0.9438229      13.81850  
1 1 1 10  23  32 o 17.535  7.8064  34.767     298.955  309.914    379.593  -414.6518  485.134  22.633  9.4021  17.251  8.3633  5.381826       12.58344  
1 1 1 10  23  33 o 17.393  7.7887  47.628     302.321  201.587    384.318  -202.2999  489.661  20.531  9.0070  18.206  8.7171  2.324726       12.53450  
1 1 1 10  23  34 o 28.308  10.286  720.568    407.659  880.406    532.854  494.979    633.037  29.119  11.478  24.311  11.042  4.808018       15.92727  
1 1 1 10  24  0  o 414.419 14.091  93379.48   6324.69  93379.48   6324.69  0.0000     0.0000   414.419 14.091  ?       ?       0.000000       14.09059  
1 1 1 10  24  1  o 532.833 17.846  154759.00  10299.20 154759.00  10299.20 0.0000     0.0000   532.833 17.846  ?       ?       0.000000       17.84605  
1 1 1 10  24  2  o 717.523 23.873  282218.09  18552.72 282218.09  18552.72 0.0000     0.0000   717.523 23.873  ?       ?       0.000000       23.87272  
1 1 1 10  24  3  o 214.577 8.1481  24972.61   1893.70  24972.61   1893.70  0.0000     0.0000   214.577 8.1481  ?       ?       0.000000       8.148134  
1 1 1 10  24  4  o 476.146 11.291  123167.00  5822.71  128784.50  8235.39  117551.80  8233.74  486.178 15.639  464.358 16.371  21.82028       22.64061  
1 1 1 10  24  5  o 485.072 11.521  127889.80  6053.11  127213.60  8560.77  128565.90  8560.01  482.895 16.368  485.474 16.279  -2.579041      23.08513  
1 1 1 10  24  6  f 234.271 4.5412  29740.71   1152.29  29893.41   1629.28  29587.88   1629.89  234.799 6.4066  233.594 6.4421  1.204636       9.085468  
1 1 1 10  24  7  o 224.008 4.2590  27191.91   1033.34  27031.36   1462.27  27352.06   1460.47  223.275 6.0467  224.598 6.0037  -1.322525      8.520910  
1 1 1 10  24  8  o 191.967 3.7545  19968.05   780.641  20205.35   1105.34  19731.91   1102.65  193.051 5.2863  190.774 5.3364  2.277130       7.511478  
1 1 1 10  24  9  o 123.205 2.9804  8223.82    397.721  8253.07    556.000  8193.18    569.154  123.400 4.1600  122.949 4.2740  0.4512329      5.964260  
1 1 1 10  24  10 f 129.797 2.9980  9127.96    421.473  9041.88    600.920  9211.29    591.303  129.152 4.2958  130.359 4.1879  -1.207397      5.999407  
1 1 1 10  24  11 o 34.709  3.2045  658.369    119.107  419.737    180.546  842.250    158.487  27.267  6.2473  39.239  3.7757  -11.97223      7.299629  
1 1 1 10  24  12 o 192.026 3.7850  19988.09   787.221  19933.57   1113.82  20042.50   1112.78  191.673 5.3652  192.197 5.3455  -0.5243683     7.573629  
1 1 1 10  24  13 o 252.482 4.8523  34581.60   1326.94  35072.77   1757.73  33930.79   2023.33  254.109 6.3865  249.800 7.4783  4.308762       9.834253  
1 1 1 10  24  14 o 258.608 4.9553  36289.49   1387.99  37455.53   1837.03  34738.28   2118.82  262.549 6.4600  252.663 7.7425  9.886841       10.08359  
1 1 1 10  24  15 o 198.357 3.8107  21334.85   818.692  21973.18   1159.17  20699.51   1156.45  201.180 5.3197  195.249 5.4685  5.931503       7.629154  
1 1 1 10  24  16 o 249.244 5.3104  33736.05   1433.57  34363.96   1755.52  32479.22   2483.68  251.388 6.4475  243.838 9.4043  7.550537       11.40221  
1 1 1 10  24  17 o 96.293  3.4019  5028.17    354.804  5406.97    621.475  4845.01    432.153  99.563  5.7881  94.489  4.2226  5.073708       7.164669  
1 1 1 10  24  18 o 176.611 3.6148  16921.77   691.479  16999.24   976.645  16843.90   979.157  176.861 5.0984  176.046 5.1352  0.8143616      7.236281  
1 1 1 10  24  19 o 191.822 3.7751  19974.89   784.325  19076.80   1104.61  20888.07   1113.85  187.216 5.4475  195.937 5.2485  -8.721436      7.564560  
1 1 1 10  24  20 o 292.269 5.2026  46543.90   1646.91  45105.76   2327.55  47985.83   2330.62  286.781 7.4934  295.903 7.2720  -9.122314      10.44186  
1 1 1 10  24  21 o 92.651  2.7409  4659.48    275.045  4676.93    405.877  4644.66    374.018  92.698  4.0425  92.412  3.7368  0.2867279      5.505028  
1 1 1 10  24  22 o 43.992  3.7391  1061.65    176.471  1311.27    237.964  756.614    263.052  48.789  4.5559  36.444  6.9173  12.34516       8.282818  
1 1 1 10  24  23 f 199.252 3.9014  21673.16   841.967  22664.45   1194.69  20694.93   1186.79  202.998 5.4337  193.855 5.6523  9.142761       7.840506  
1 1 1 10  24  24 o 137.905 3.3144  10371.83   495.062  10549.73   689.919  10183.00   710.794  138.635 4.5947  136.112 4.8214  2.523087       6.660136  
1 1 1 10  24  25 o 49.742  1.9073  1343.74    102.757  938.508    280.283  1406.67    110.447  40.467  6.6241  50.885  2.0040  -10.41857      6.920554  
1 1 1 10  24  26 o 78.290  2.6252  3341.45    222.609  3168.23    369.454  3440.18    278.927  75.614  4.5321  79.300  3.2475  -3.686096      5.575485  
1 1 1 10  24  27 o 35.824  1.2009  696.172    46.595   286.443    241.436  712.023    47.487   22.942  7.9569  36.229  1.2102  -13.28692      8.048442  
1 1 1 10  24  28 o 50.120  4.1604  1402.65    223.806  1253.56    297.004  1598.54    340.442  46.600  6.0255  52.672  6.0792  -6.071739      8.559390  
1 1 1 10  24  29 o 22.592  7.0975  303.505    193.509  206.780    249.671  449.022    306.235  20.748  7.9455  26.973  8.9672  -6.224804      11.98088  
1 1 1 10  24  30 o 8.1584  3.1353  25.402     38.962   210.813    296.824  22.151     39.302   21.064  8.4785  8.0022  3.1284  13.06219       9.037248  
1 1 1 10  24  31 o 15.409  7.0065  -64.7242   255.728  -95.2675   306.415  5.3773     464.212  16.390  7.5338  20.557  9.3830  -4.167042      12.03324  
1 1 1 10  24  32 o 50.735  7.1419  1678.51    381.597  1415.41    532.868  1955.46    546.718  40.605  11.561  50.426  10.357  -9.820972      15.52134  
1 1 1 10  24  33 o 22.965  8.9664  384.817    322.529  279.830    419.647  536.336    504.137  21.772  9.4851  25.190  10.673  -3.418016      14.27830  
1 1 1 10  25  0  o 564.388 29.722  176161.50  18104.97 176161.50  18104.97 0.0000     0.0000   564.388 29.722  ?       ?       0.000000       29.72237  
1 1 1 10  25  1  o 405.469 13.815  89400.05   6066.95  89400.05   6066.95  0.0000     0.0000   405.469 13.815  ?       ?       0.000000       13.81474  
1 1 1 10  25  2  o 321.394 9.0599  56042.66   3153.77  57713.84   3813.45  52426.09   5609.88  326.024 10.799  309.710 16.786  16.31415       19.96004  
1 1 1 10  25  3  o 777.095 18.132  329617.31  15260.84 308913.19  21581.70 350322.81  21582.49 748.912 26.606  798.332 24.960  -49.41949      36.48159  
1 1 1 10  25  4  o 245.481 6.3531  32668.83   1689.16  30932.87   2387.98  34407.24   2389.67  238.729 9.2354  251.807 8.7619  -13.07832      12.73043  
1 1 1 10  25  5  o 164.725 4.8531  14704.53   865.853  14296.07   1223.40  15114.46   1225.61  162.363 6.9568  166.951 6.7778  -4.588501      9.712702  
1 1 1 10  25  6  o 297.061 5.9724  47843.95   1921.62  49817.29   3334.90  46863.08   2351.19  302.799 10.169  293.912 7.3859  8.886780       12.56781  
1 1 1 10  25  7  o 317.213 5.9614  54562.79   2048.17  53894.00   3151.39  55051.88   2694.97  314.981 9.2374  318.485 7.8126  -3.504425      12.09815  
1 1 1 10  25  8  o 294.646 5.2491  47069.04   1675.15  47646.87   2370.23  46492.39   2367.82  296.284 7.3861  292.665 7.4698  3.618988       10.50484  
1 1 1 10  25  9  o 193.268 3.7881  20242.14   792.954  19665.73   1122.45  20816.41   1120.36  190.427 5.4421  195.927 5.2795  -5.500076      7.582215  
1 1 1 10  25  10 o 241.682 4.3515  31664.31   1139.07  32465.71   1612.02  30865.16   1609.76  244.603 6.0847  238.486 6.2320  6.117218       8.709850  
1 1 1 10  25  11 o 153.116 3.2112  12704.15   532.553  13513.31   755.031  11903.03   751.270  157.874 4.4156  148.158 4.6817  9.715210       6.435457  
1 1 1 10  25  12 o 350.785 6.4879  66827.27   2465.01  66580.80   3238.04  67166.99   3801.44  349.774 8.5472  350.994 9.9995  -1.219421      13.15466  
1 1 1 10  25  13 o 184.686 3.7110  18490.76   742.335  18493.09   1050.66  18488.43   1048.98  184.603 5.2548  184.580 5.2470  0.2275085E-01  7.425899  
1 1 1 10  25  14 o 242.279 4.4363  31839.44   1164.14  31572.59   1646.14  32106.42   1646.56  241.066 6.3046  243.102 6.2534  -2.035721      8.879978  
1 1 1 10  25  15 o 164.326 3.5690  14640.14   635.222  15236.98   860.947  13927.05   941.070  167.569 4.7436  160.155 5.4251  7.414215       7.206553  
1 1 1 10  25  16 o 102.524 2.9452  5697.28    327.043  6057.08    462.597  5337.77    462.420  105.671 4.0418  99.187  4.3044  6.483643       5.904574  
1 1 1 10  25  17 o 186.080 4.2748  18791.45   861.554  17486.10   1491.23  19445.47   1055.55  179.077 7.6884  189.200 5.1509  -10.12286      9.254368  
1 1 1 10  25  18 o 78.490  2.6655  3339.64    226.603  3959.80    368.585  2962.80    287.315  85.415  3.9841  73.899  3.5896  11.51606       5.362689  
1 1 1 10  25  19 o 89.237  3.0072  4319.33    290.652  4599.49    413.026  4044.49    409.091  92.020  4.1441  86.162  4.3983  5.857841       6.043030  
1 1 1 10  25  20 o 189.292 3.7854  19470.25   776.094  19450.89   1095.63  19489.75   1099.51  188.878 5.3556  189.064 5.3693  -0.1852722     7.583699  
1 1 1 10  25  21 o 206.712 3.9730  23257.23   889.525  22559.14   1254.92  23962.16   1261.06  203.044 5.7063  209.317 5.5624  -6.272476      7.968820  
1 1 1 10  25  22 o 136.400 3.1571  10118.76   466.420  9918.96    654.266  10325.24   665.103  134.754 4.4827  137.491 4.4663  -2.736359      6.327904  
1 1 1 10  25  23 o 87.082  2.7510  4123.50    259.469  4951.16    410.597  3573.26    334.788  95.211  3.9816  80.912  3.8202  14.29928       5.517868  
1 1 1 10  25  24 o 126.170 3.1975  8678.79    436.954  8911.11    615.976  8443.46    619.936  127.444 4.4624  123.999 4.6159  3.445236       6.420282  
1 1 1 10  25  25 o 46.176  4.1368  1179.44    204.705  1193.69    269.459  1160.01    314.792  46.092  5.5066  45.063  6.6494  1.028519       8.633498  
1 1 1 10  25  26 o 16.495  6.7188  69.427     188.906  -61.8223   255.094  228.803    281.101  16.375  7.2543  22.399  8.4656  -6.023726      11.14863  
1 1 1 10  25  27 o 73.561  3.4554  2972.44    275.305  2960.66    382.187  2985.14    396.911  72.759  4.8780  72.977  5.0526  -0.2182770     7.023079  
1 1 1 10  25  28 o 44.119  1.7586  1058.77    84.034   1264.98    288.498  1039.66    87.843   46.913  5.8015  43.708  1.8556  3.204937       6.091004  
1 1 1 10  25  29 f 26.919  6.7918  441.008    198.017  378.618    257.091  532.002    310.480  24.991  8.2118  28.934  8.9740  -3.943211      12.16417  
1 1 1 10  25  30 o 32.629  6.8092  665.457    232.863  851.939    315.764  443.129    344.781  35.956  8.2792  25.988  9.4567  9.968014       12.56875  
1 1 1 10  25  31 o 47.503  5.2787  1343.88    266.999  1374.53    359.084  1305.98    399.298  46.124  7.4411  43.615  8.7568  2.508884       11.49139  
1 1 1 10  25  32 o 19.828  8.3064  190.917    299.863  440.809    381.160  -214.9288  485.749  24.630  9.7078  18.496  8.8080  6.133646       13.10813  
1 1 1 10  25  33 o 17.720  8.0097  40.394     328.297  118.361    391.488  -144.3579  602.638  19.552  8.8006  19.897  9.5647  -0.3456841     12.99747  
1 1 1 10  26  0  o 554.296 10.081  166762.50  6052.20  161946.91  7410.54  176408.30  10487.99 545.900 12.533  568.922 17.020  -23.02185      21.13711  
1 1 1 10  26  1  o 453.466 10.806  111655.30  5307.19  114520.60  7505.76  108790.40  7505.23  458.669 15.109  446.985 15.502  11.68338       21.64711  
1 1 1 10  26  2  o 315.861 8.8682  54130.71   3033.90  49321.31   5386.97  56364.80   3671.54  300.347 16.624  322.190 10.521  -21.84299      19.67397  
1 1 1 10  26  3  o 475.692 13.254  123091.40  6828.62  124854.30  8153.47  118949.90  12497.00 478.652 15.727  464.369 24.938  14.28360       29.48321  
1 1 1 10  26  4  o 212.434 6.1592  24464.80   1417.17  20955.09   2366.54  26427.07   1769.53  196.055 11.191  220.738 7.4013  -24.68315      13.41714  
1 1 1 10  26  5  o 171.616 4.9681  15961.73   923.465  15311.36   1305.19  16613.68   1306.77  168.016 7.1722  175.026 6.8933  -7.009872      9.947742  
1 1 1 10  26  6  o 427.627 8.2477  99255.55   3820.04  100851.70  6621.96  98459.48   4676.65  430.093 14.215  425.661 10.144  4.431244       17.46339  
1 1 1 10  26  7  o 300.544 5.2561  48967.63   1710.96  50784.86   2419.88  47151.04   2419.45  305.922 7.3032  294.751 7.5787  11.17075       10.52487  
1 1 1 10  26  8  o 199.514 3.8107  21570.53   823.462  22066.10   1166.70  21078.61   1162.41  201.732 5.3397  197.162 5.4433  4.570343       7.625101  
1 1 1 10  26  9  o 60.758  2.2059  1999.66    145.167  2270.45    257.026  1872.83    175.911  64.623  3.6875  58.796  2.7623  5.826637       4.607367  
1 1 1 10  26  10 o 205.534 4.0782  22898.34   907.877  24331.80   1213.32  21074.79   1368.50  211.804 5.2890  197.048 6.4121  14.75583       8.311965  
1 1 1 10  26  11 o 174.136 3.5952  16434.65   678.074  15586.02   960.184  17278.90   957.705  169.506 5.2300  178.490 4.9539  -8.983505      7.203729  
1 1 1 10  26  12 o 105.273 2.8531  6005.03    325.317  6478.19    461.509  5537.74    458.640  109.315 3.8979  101.061 4.1900  8.253830       5.722745  
1 1 1 10  26  13 f 247.083 4.5400  33113.30   1214.99  33643.66   1718.96  32583.82   1717.54  248.866 6.3772  244.904 6.4750  3.962845       9.088156  
1 1 1 10  26  14 o 210.999 4.0160  24142.13   917.789  25248.89   1298.68  23037.86   1297.22  215.650 5.5601  205.967 5.8149  9.682968       8.045397  
1 1 1 10  26  15 o 214.159 4.0406  24874.28   937.248  25264.24   1326.64  24485.70   1324.30  215.677 5.6791  212.319 5.7587  3.357849       8.087974  
1 1 1 10  26  16 o 414.423 7.0878  93489.53   3181.44  91072.09   4499.07  95907.33   4499.41  407.918 10.183  418.718 9.9212  -10.80066      14.21709  
1 1 1 10  26  17 o 133.018 3.6826  9597.43    530.560  10354.47   905.152  9201.19    654.852  137.977 6.0568  130.182 4.6443  7.795090       7.632486  
1 1 1 10  26  18 o 97.271  2.9992  5130.59    315.977  4376.04    442.507  5915.57    451.341  89.642  4.5728  104.396 3.9916  -14.75397      6.069932  
1 1 1 10  26  19 o 226.536 4.4299  27891.10   1086.92  26975.79   1444.29  29086.50   1650.54  222.458 5.9942  230.838 6.6016  -8.379242      8.916965  
1 1 1 10  26  20 o 81.964  3.0128  3646.32    267.458  3960.42    377.842  3330.89    378.646  85.341  4.0877  78.104  4.4950  7.236877       6.075714  
1 1 1 10  26  21 o 28.785  5.2459  466.621    157.527  489.109    209.026  437.061    239.654  29.262  6.7349  27.722  7.7043  1.539114       10.23307  
1 1 1 10  26  22 o 138.212 3.1849  10391.58   476.782  9441.90    651.837  11484.26   699.193  131.432 4.5790  144.988 4.4524  -13.55598      6.386765  
1 1 1 10  26  23 o 145.244 3.2527  11490.57   511.697  11648.30   719.412  11329.07   727.962  145.835 4.5546  143.779 4.6746  2.055252       6.526534  
1 1 1 10  26  24 o 102.625 3.1260  5741.15    347.462  5565.36    485.978  5924.99    496.978  100.703 4.4556  103.918 4.4155  -3.214966      6.272852  
1 1 1 10  26  25 o 94.818  3.1491  4908.03    323.410  4845.14    452.118  4973.93    462.811  93.836  4.4485  95.059  4.4951  -1.223076      6.324146  
1 1 1 10  26  26 o 41.898  4.7896  984.081    213.443  963.342    291.720  1007.97    313.123  40.753  6.8522  41.565  7.2171  -0.8126144     9.951822  
1 1 1 10  26  27 o 37.832  5.3491  816.108    213.072  1046.16    291.272  551.297    312.505  42.440  6.5472  30.094  8.9374  12.34638       11.07893  
1 1 1 10  26  28 o 52.391  4.0572  1530.12    228.432  1664.98    303.344  1353.47    347.177  54.166  5.2359  48.001  6.8740  6.164940       8.640924  
1 1 1 10  26  29 o 20.393  1.7820  228.278    38.966   127.569    244.319  230.906    39.471   18.890  7.6608  20.509  1.7949  -1.619923      7.868271  
1 1 1 10  26  30 o 22.781  7.6572  325.619    223.234  152.317    299.323  542.827    335.101  19.953  8.3239  28.049  9.3819  -8.095818      12.54216  
1 1 1 10  26  31 o 13.502  6.3530  -176.8855  238.672  1.6451     323.991  -388.7321  352.929  17.920  8.0412  14.878  7.1934  3.042118       10.78913  
1 1 1 10  26  32 o 18.699  8.2009  99.569     318.390  -163.7255  425.354  435.074    480.152  17.840  8.4205  24.701  10.438  -6.860872      13.41087  
1 1 1 10  26  33 o 5.1250  2.5146  -92.4286   47.790   -365.1102  450.399  -89.3237   48.062   16.450  7.9939  5.2014  2.5458  11.24872       8.389490  
1 1 1 10  27  0  o 648.615 15.195  229062.70  10675.06 236980.30  15097.24 221146.09  15096.40 658.065 21.182  635.461 21.934  22.60339       30.49183  
1 1 1 10  27  1  f 673.949 17.597  247810.91  12844.75 264627.59  15262.94 206990.50  23779.71 695.604 20.258  607.692 36.295  87.91235       41.56562  
1 1 1 10  27  2  o 473.018 13.244  121705.80  6785.47  118942.00  12417.74 122882.40  8102.04  464.438 24.775  474.865 15.753  -10.42737      29.35906  
1 1 1 10  27  3  o 661.762 18.201  239272.91  13045.70 226459.91  24158.45 244547.30  15499.94 635.256 35.250  667.880 21.427  -32.62335      41.25136  
1 1 1 10  27  4  o 542.068 12.808  159883.30  7519.88  157407.91  10635.01 162358.41  10634.43 536.538 18.301  544.991 18.016  -8.452515      25.68044  
1 1 1 10  27  5  o 262.448 7.4046  37366.03   2104.80  32600.41   3648.84  39742.56   2576.72  244.229 13.851  270.569 8.7926  -26.34064      16.40605  
1 1 1 10  27  6  o 414.153 8.1685  93105.33   3664.16  86094.44   6351.16  96603.09   4486.02  397.208 14.763  421.642 9.8231  -24.43390      17.73216  
1 1 1 10  27  7  o 270.546 5.6310  39688.74   1650.05  38159.78   2866.59  40446.36   2017.87  264.926 9.9901  273.035 6.8235  -8.109070      12.09800  
1 1 1 10  27  8  o 278.490 5.7674  42063.83   1739.62  43564.55   3021.91  41319.99   2127.51  283.007 9.8586  275.908 7.1193  7.098999       12.16042  
1 1 1 10  27  9  o 150.414 3.2680  12258.92   532.411  11992.56   755.236  12522.07   750.670  148.728 4.6883  151.981 4.5603  -3.252518      6.540387  
1 1 1 10  27  10 o 129.360 2.9526  9066.75    413.686  9621.56    588.191  8523.68    581.939  133.229 4.0761  125.392 4.2849  7.837418       5.913970  
1 1 1 10  27  11 o 144.968 3.2347  11388.53   507.902  11332.98   721.483  11443.11   715.123  144.565 4.6078  145.268 4.5451  -0.7033539     6.472205  
1 1 1 10  27  12 o 366.086 6.2275  72774.29   2469.24  75682.20   3493.19  69870.23   3490.89  372.862 8.6498  358.183 8.9983  14.67908       12.48149  
1 1 1 10  27  13 o 151.788 3.2141  12486.93   528.411  13940.33   751.075  11062.48   743.555  160.327 4.3252  142.798 4.8075  17.52856       6.466801  
1 1 1 10  27  14 f 176.045 3.5137  16801.02   669.968  18228.40   950.587  15392.17   944.398  183.290 4.7883  168.401 5.1778  14.88924       7.052455  
1 1 1 10  27  15 o 89.357  2.8151  4327.24    272.449  4895.25    390.331  3787.59    380.462  95.013  3.7930  83.455  4.2228  11.55745       5.676180  
1 1 1 10  27  16 o 248.167 4.7912  33432.81   1287.84  32534.63   1703.68  34630.30   1967.17  244.575 6.4314  252.191 7.2018  -7.615814      9.655505  
1 1 1 10  27  17 f 360.730 8.8012  71125.99   3438.71  75975.26   4865.28  66285.51   4860.87  371.305 12.098  346.380 12.957  24.92477       17.72654  
1 1 1 10  27  18 o 146.199 3.2777  11593.61   519.014  12130.92   733.008  11053.39   734.989  149.442 4.5286  142.628 4.7578  6.813705       6.568490  
1 1 1 10  27  19 o 68.568  3.0770  2550.72    228.516  2478.90    319.502  2625.94    326.968  67.390  4.4015  69.372  4.3740  -1.981628      6.205240  
1 1 1 10  27  20 o 271.161 5.1079  40086.48   1500.17  39539.38   1980.81  40822.37   2297.32  268.611 6.8085  272.441 7.7854  -3.830383      10.34249  
1 1 1 10  27  21 o 225.772 4.2520  27777.74   1039.75  27741.84   1469.30  27813.74   1471.57  224.917 6.0314  225.208 6.0329  -0.2905579     8.530746  
1 1 1 10  27  22 o 72.869  2.5372  2883.98    200.251  2902.75    319.603  2871.84    256.938  72.828  4.0680  72.646  3.2655  0.1819153      5.216547  
1 1 1 10  27  23 o 49.288  3.9080  1334.85    206.912  1408.45    275.377  1239.42    313.565  50.385  5.1172  46.926  6.3310  3.458614       8.140475  
1 1 1 10  27  24 o 121.635 3.1688  8068.09    417.469  8164.45    586.876  7969.38    593.968  121.953 4.4431  120.447 4.5530  1.506378       6.361653  
1 1 1 10  27  25 o 38.484  5.0198  831.642    204.255  1025.05    278.856  607.755    300.026  42.415  6.2580  31.983  8.5114  10.43222       10.56440  
1 1 1 10  27  26 o 11.864  5.4830  -125.8235  165.479  -146.1880  208.659  -91.3055   271.659  13.431  6.1897  16.492  7.3844  -3.061152      9.635438  
1 1 1 10  27  27 o 30.950  1.9192  523.126    64.018   516.860    65.456   661.070    307.106  30.756  1.9754  32.867  8.5468  -2.111055      8.772133  
1 1 1 10  27  28 f 22.105  7.0381  283.028    189.748  306.226    242.942  246.739    303.852  23.275  7.9869  22.795  8.7568  0.4797916      11.85203  
1 1 1 10  27  29 o 27.412  6.6984  458.411    197.189  715.262    253.909  68.078     313.008  34.198  7.0878  19.452  8.3303  14.74598       10.93763  
1 1 1 10  27  30 o 35.357  6.2918  768.281    232.113  798.505    307.520  728.265    353.850  34.590  8.3117  32.061  9.5077  2.528900       12.62853  
1 1 1 10  27  31 o 13.071  6.0094  -91.8437   195.130  -23.5507   239.428  -226.9264  336.734  15.479  6.9315  15.770  7.4581  -0.2902822     10.18184  
1 1 1 10  27  32 o 19.328  8.3242  147.423    315.809  334.039    374.388  -312.9149  588.012  22.790  9.3906  19.309  9.3233  3.481361       13.23285  
1 1 1 10  27  33 o 24.847  9.2523  486.022    333.218  267.373    396.351  1013.11    615.384  21.381  9.2665  30.286  12.202  -8.905560      15.32156  
1 1 1 10  28  0  f 639.957 17.586  223494.20  12189.28 228322.70  14488.02 211795.70  22551.26 645.881 20.710  615.763 33.944  30.11835       39.76353  
1 1 1 10  28  1  o 401.085 9.6375  87325.73   4186.68  82425.99   5920.17  92227.73   5921.54  389.154 14.046  411.752 13.278  -22.59818      19.32830  
1 1 1 10  28  2  o 494.975 18.149  133847.41  9730.02  132188.50  13760.33 135506.20  13760.32 488.979 26.076  495.222 25.743  -6.242340      36.64223  
1 1 1 10  28  3  o 163.208 4.8431  14434.78   856.115  14227.16   1208.78  14643.75   1212.69  161.975 6.8902  164.332 6.8133  -2.356720      9.689964  
1 1 1 10  28  4  o 235.696 6.1649  30119.41   1573.80  31969.23   2226.20  28271.27   2225.18  242.702 8.4688  228.202 9.0028  14.50047       12.36003  
1 1 1 10  28  5  o 176.551 5.0585  16894.67   967.302  17339.98   1367.62  16448.91   1368.32  178.791 7.0624  174.129 7.2552  4.662384       10.12494  
1 1 1 10  28  6  o 117.438 4.1817  7473.66    531.896  7469.65    750.796  7477.71    753.643  117.218 5.9330  117.280 5.9525  -0.6202698E-01 8.404313  
1 1 1 10  28  7  o 202.556 3.8280  22232.84   839.828  23064.63   1695.82  21962.55   966.697  206.126 7.5959  201.300 4.4338  4.826080       8.795206  
1 1 1 10  28  8  o 374.599 7.2727  76182.12   2950.74  80749.16   5118.49  73908.83   3611.20  384.782 12.282  368.718 9.0424  16.06323       15.25141  
1 1 1 10  28  9  o 216.542 4.6148  25421.90   1082.33  27052.73   1885.48  24620.41   1321.80  223.148 7.8011  213.037 5.7285  10.11183       9.678507  
1 1 1 10  28  10 f 196.628 4.1344  20958.31   880.488  20275.29   1177.77  21823.69   1325.71  193.316 5.6250  200.530 6.1038  -7.213531      8.300420  
1 1 1 10  28  11 o 192.053 3.7487  19993.06   779.774  20842.37   1104.71  19149.69   1100.84  196.008 5.2036  187.867 5.4101  8.141037       7.506418  
1 1 1 10  28  12 o 189.973 3.8597  19565.21   794.170  20652.76   1067.08  18214.86   1189.04  195.109 5.0495  183.164 5.9936  11.94463       7.837145  
1 1 1 10  28  13 o 220.172 4.1969  26288.00   1000.84  25782.77   1416.54  26791.61   1414.26  217.890 6.0023  222.125 5.8784  -4.234619      8.401424  
1 1 1 10  28  14 o 175.635 3.5668  16723.67   678.518  16915.05   961.211  16533.59   957.936  176.544 5.0269  174.539 5.0673  2.004974       7.137687  
1 1 1 10  28  15 o 52.839  3.1042  1518.55    176.873  1487.21    263.055  1544.41    238.952  52.139  4.7090  53.195  4.1810  -1.056553      6.297260  
1 1 1 10  28  16 o 233.266 4.3509  29527.49   1099.25  29830.65   1554.97  29224.65   1554.17  234.226 6.1294  231.825 6.1897  2.400574       8.711004  
1 1 1 10  28  17 f 168.530 4.0922  15413.06   746.969  15081.73   911.877  16088.86   1302.31  166.618 5.0529  171.845 6.9969  -5.226151      8.630720  
1 1 1 10  28  18 o 112.151 2.9909  6820.80    363.312  6840.23    508.968  6800.61    518.774  112.237 4.1868  111.905 4.2802  0.3322449      5.987426  
1 1 1 10  28  19 o 78.667  2.9844  3357.31    254.284  3401.55    356.440  3311.47    362.869  79.008  4.1802  77.935  4.3156  1.072197       6.008186  
1 1 1 10  28  20 o 59.553  3.3634  1932.54    216.057  1999.38    308.489  1868.19    302.695  60.395  4.7544  58.356  4.8326  2.039516       6.779232  
1 1 1 10  28  21 o 3.3496  1.6471  -43.8158   20.862   107.116    179.921  -45.8727   21.003   17.348  6.7180  3.3178  1.6355  14.03004       6.914251  
1 1 1 10  28  22 o 67.045  3.1716  2445.74    230.316  2817.54    334.194  2109.42    317.851  71.690  4.3242  61.903  4.7776  9.786934       6.443927  
1 1 1 10  28  23 o 107.433 3.0704  6283.88    357.269  6314.56    490.296  6249.15    521.673  107.443 4.2132  106.808 4.5095  0.6353607      6.171413  
1 1 1 10  28  24 o 70.263  2.5765  2686.16    196.079  2692.36    339.048  2683.04    240.349  69.870  4.5042  70.139  3.1638  -0.2687302     5.504333  
1 1 1 10  28  25 o 26.786  1.2549  389.074    36.407   97.157     250.098  395.394    36.799   19.027  7.7382  27.003  1.2582  -7.975889      7.839817  
1 1 1 10  28  26 o 19.571  1.6403  209.467    34.449   267.933    221.337  208.015    34.874   22.259  7.6239  19.500  1.6673  2.759129       7.804075  
1 1 1 10  28  27 o 42.487  2.1812  986.022    100.033  1071.92    270.657  972.433    107.656  43.183  5.9444  42.160  2.3672  1.022762       6.398379  
1 1 1 10  28  28 o 66.185  3.6276  2425.74    259.057  2344.14    351.963  2522.21    382.685  64.379  5.0891  66.648  5.3463  -2.269180      7.381163  
1 1 1 10  28  29 o 17.361  7.0742  99.802     209.534  262.088    292.270  -71.8147   300.554  22.445  8.5963  17.122  7.7087  5.323164       11.54646  
1 1 1 10  28  30 o 17.596  7.2975  107.315    228.144  140.559    311.091  68.629     335.588  19.887  8.4025  19.293  8.4415  0.5938492      11.91052  
1 1 1 10  28  31 o 21.555  8.2118  281.780    265.830  312.101    407.772  259.370    350.561  23.324  9.7216  21.976  9.0744  1.348248       13.29864  
1 1 1 10  28  32 o 18.467  8.3607  29.069     359.323  137.904    446.204  -171.7180  606.062  20.891  9.4001  20.322  9.7218  0.5686016      13.52320  
1 1 1 10  28  33 o 29.388  10.044  736.756    384.154  882.820    480.926  479.277    638.527  30.429  11.154  24.582  11.136  5.846796       15.76134  
1 1 1 10  29  0  o 111.205 2.6408  6698.35    318.072  6469.30    362.101  7472.18    665.545  109.284 3.0592  117.421 5.2331  -8.137718      6.061690  
1 1 1 10  29  1  o 219.290 6.5338  26072.14   1551.85  26916.65   1926.30  24510.56   2619.42  222.750 7.9843  212.063 11.447  10.68689       13.95625  
1 1 1 10  29  2  o 450.727 10.742  110376.00  5243.88  113075.30  7416.97  107678.30  7414.96  455.500 15.034  444.427 15.404  11.07315       21.52449  
1 1 1 10  29  3  o 66.914  4.1708  2435.49    300.773  2344.02    420.381  2531.41    430.513  65.482  5.9937  68.080  5.8967  -2.597778      8.408097  
1 1 1 10  29  4  o 452.830 12.345  111588.60  6054.74  100086.60  11046.01 116528.60  7239.16  425.338 24.076  462.330 14.457  -36.99118      28.08297  
1 1 1 10  29  5  o 290.094 7.2510  45657.64   2278.29  41175.54   3221.10  50144.71   3222.89  275.180 10.807  303.785 9.7951  -28.60559      14.58566  
1 1 1 10  29  6  o 551.986 13.043  166095.20  7797.59  153878.00  11027.33 178313.00  11027.58 529.259 19.237  570.294 17.853  -41.03510      26.24466  
1 1 1 10  29  7  o 615.375 10.267  206019.80  6843.14  196298.91  13693.29 209255.59  7900.43  596.252 21.204  619.745 11.770  -23.49298      24.25110  
1 1 1 10  29  8  o 288.360 5.3028  45092.73   1656.19  41811.56   3321.77  46178.24   1910.61  277.032 11.071  291.750 6.0463  -14.71774      12.61410  
1 1 1 10  29  9  o 596.062 11.695  193822.09  7550.01  193148.00  13082.21 194158.70  9245.00  590.605 20.451  595.489 14.334  -4.883301      24.97401  
1 1 1 10  29  10 o 609.693 12.039  203031.70  7949.79  190722.00  13773.61 209181.00  9734.99  585.343 21.725  617.650 14.552  -32.30658      26.14866  
1 1 1 10  29  11 o 106.079 2.7403  6097.03    314.848  6516.16    450.982  5698.50    439.756  109.640 3.7977  102.526 3.9601  7.113731       5.486793  
1 1 1 10  29  12 o 52.659  2.8026  1506.83    159.271  1799.35    240.335  1277.76    212.678  57.479  3.8832  48.372  4.0979  9.107601       5.645529  
1 1 1 10  29  13 o 55.727  2.9808  1687.76    179.266  1773.49    265.056  1615.49    243.371  57.021  4.3239  54.422  4.1603  2.598980       6.000380  
1 1 1 10  29  14 o 103.155 2.8420  5766.65    317.525  6209.32    454.826  5345.78    443.486  107.008 3.9243  99.281  4.1242  7.726181       5.692904  
1 1 1 10  29  15 o 142.977 3.1840  11081.34   493.076  11205.53   699.490  10958.69   695.160  143.707 4.4940  142.114 4.5163  1.592941       6.371234  
1 1 1 10  29  16 o 182.382 3.6731  18040.60   725.574  18069.27   1024.26  18011.73   1027.98  182.392 5.1848  182.098 5.2121  0.2934418      7.351741  
1 1 1 10  29  17 o 118.427 3.4914  7607.14    447.842  7843.73    546.941  7125.80    780.128  120.213 4.2007  114.243 6.3294  5.969719       7.596551  
1 1 1 10  29  18 o 51.442  2.2767  1434.30    126.851  1388.16    258.288  1448.96    145.623  50.311  4.7981  51.632  2.6125  -1.320988      5.463202  
1 1 1 10  29  19 o 224.026 4.2113  27278.90   1021.84  26602.05   1443.04  27959.63   1447.17  220.805 6.0339  226.405 5.9015  -5.600754      8.440149  
1 1 1 10  29  20 o 195.497 3.8207  20781.63   809.002  19856.15   1141.28  21716.33   1146.95  190.673 5.5263  199.469 5.3088  -8.796371      7.663110  
1 1 1 10  29  21 o 59.737  3.1814  1945.27    205.096  1857.40    284.883  2039.82    295.508  58.164  4.5586  60.979  4.5062  -2.814747      6.409861  
1 1 1 10  29  22 o 60.833  3.2107  2019.53    210.800  1882.53    294.847  2162.78    301.497  58.468  4.6956  62.742  4.4658  -4.273804      6.480121  
1 1 1 10  29  23 o 47.932  2.1231  1247.49    110.220  1208.15    260.282  1256.08    121.668  46.580  5.2507  48.084  2.3362  -1.503937      5.746942  
1 1 1 10  29  24 o 34.906  5.0046  684.592    183.795  698.942    238.587  663.645    288.250  34.865  6.5588  33.597  8.0305  1.268158       10.36860  
1 1 1 10  29  25 o 28.418  6.5188  470.296    196.377  341.427    269.579  615.997    286.644  24.940  8.4144  32.204  8.1971  -7.263718      11.74714  
1 1 1 10  29  26 o 38.351  4.9628  829.874    201.312  869.289    267.328  778.242    305.963  38.700  6.6153  36.056  8.0396  2.644337       10.41140  
1 1 1 10  29  27 o 53.501  4.0486  1591.40    232.868  1406.38    316.770  1808.98    343.503  49.494  6.0340  56.369  5.7048  -6.874706      8.303830  
1 1 1 10  29  28 o 45.618  2.3812  1139.80    117.244  1473.00    340.274  1094.91    124.892  50.274  6.3937  44.661  2.5930  5.612801       6.899473  
1 1 1 10  29  29 o 22.800  7.3192  314.937    204.886  306.682    271.919  325.779    311.627  23.095  8.3991  23.923  8.9398  -0.8276806     12.26640  
1 1 1 10  29  30 o 13.542  6.1999  -89.6171   204.699  -148.7665  263.842  -0.1763    324.441  14.723  6.8456  18.119  8.0944  -3.396250      10.60096  
1 1 1 10  29  31 o 28.038  8.0622  540.184    257.912  457.024    380.142  611.112    351.074  25.453  9.7906  28.660  9.6028  -3.207066      13.71383  
1 1 1 10  29  32 o 15.859  7.3649  -102.3313  303.920  -61.4571   352.546  -220.6055  599.702  17.338  8.0095  19.911  9.5635  -2.573503      12.47447  
1 1 1 10  29  33 o 14.555  6.9479  -220.7951  306.075  -244.8447  353.972  -149.5305  609.330  15.451  7.4015  19.953  9.5979  -4.501909      12.12038  
1 1 1 10  30  0  o 129.019 4.3320  9019.30    605.355  9122.23    856.245  8916.43    855.959  129.720 6.0943  128.247 6.1622  1.473114       8.666773  
1 1 1 10  30  1  f 222.098 5.8942  26739.81   1417.87  25630.57   2004.39  27850.78   2005.95  217.326 8.5153  226.561 8.1746  -9.235611      11.80398  
1 1 1 10  30  2  o 562.577 13.242  172288.09  8068.85  177919.50  11412.13 166658.80  11410.03 570.303 18.475  551.773 19.092  18.53015       26.56782  
1 1 1 10  30  3  o 66.812  4.1568  2428.08    299.318  1833.24    417.764  3055.52    429.061  57.741  6.8110  74.892  5.3241  -17.15093      8.645030  
1 1 1 10  30  4  o 423.748 10.162  97580.20   4664.13  98506.59   6596.63  96654.13   6595.52  425.028 14.330  420.985 14.465  4.042755       20.36094  
1 1 1 10  30  5  o 208.283 5.6340  23521.00   1271.00  24873.88   1798.05  22169.88   1796.88  214.077 7.7546  202.080 8.2097  11.99773       11.29303  
1 1 1 10  30  6  o 189.011 5.2753  19369.01   1079.95  18323.72   1526.73  20415.79   1527.82  183.724 7.6723  193.952 7.2729  -10.22832      10.57164  
1 1 1 10  30  7  o 373.695 6.9351  75792.69   2807.00  67189.20   7838.39  77058.33   3006.39  348.196 20.881  376.749 7.3675  -28.55286      22.14225  
1 1 1 10  30  8  o 165.277 3.4671  14802.29   620.660  14640.54   1259.39  14854.18   713.298  164.213 7.0808  165.550 3.9781  -1.337219      8.121714  
1 1 1 10  30  9  o 308.936 5.4738  51772.10   1831.59  54028.51   3672.83  51025.22   2113.09  314.850 10.770  306.611 6.3630  8.239594       12.50944  
1 1 1 10  30  10 o 219.274 4.8116  26075.17   1142.74  23629.06   1988.00  27282.26   1396.52  208.390 8.8078  224.224 5.7503  -15.83397      10.51875  
1 1 1 10  30  11 o 166.492 3.9761  15027.63   717.000  15215.00   1254.11  14936.64   873.912  167.346 6.9191  165.944 4.8622  1.402603       8.456693  
1 1 1 10  30  12 o 374.667 6.8617  76284.30   2784.51  79749.99   3655.08  71491.09   4298.49  382.653 8.8191  361.734 10.971  20.91888       14.07638  
1 1 1 10  30  13 f 79.221  2.4759  3400.43    212.440  3667.04    337.132  3224.84    273.592  82.241  3.7848  77.134  3.2748  5.106781       5.004891  
1 1 1 10  30  14 o 107.546 2.9066  6268.28    338.572  6226.63    483.417  6308.38    474.338  107.147 4.1656  107.852 4.0606  -0.7051010     5.817241  
1 1 1 10  30  15 o 205.338 3.9654  22868.88   881.917  23784.19   1250.37  21962.74   1244.09  209.256 5.5168  201.063 5.7128  8.193787       7.941772  
1 1 1 10  30  16 o 193.265 3.9848  20263.75   834.127  20749.17   1119.02  19656.78   1251.31  195.434 5.2865  190.124 6.0765  5.309677       8.054264  
1 1 1 10  30  17 o 343.979 6.9209  64485.92   2578.49  66060.44   3157.49  61333.84   4467.52  347.637 8.3858  333.151 12.381  14.48596       14.95359  
1 1 1 10  30  18 o 247.234 5.2437  33252.41   1404.16  33471.54   2433.19  33143.00   1719.34  246.929 9.0978  246.544 6.4387  0.3844299      11.14566  
1 1 1 10  30  19 o 107.762 3.0322  6301.48    353.911  6001.62    492.877  6620.65    508.499  105.058 4.3315  110.351 4.2545  -5.293015      6.071438  
1 1 1 10  30  20 o 19.584  1.3833  208.866    29.153   94.445     212.602  211.059    29.431   18.123  7.2161  19.687  1.3891  -1.564562      7.348621  
1 1 1 10  30  21 o 113.464 2.9839  6996.27    366.707  7343.24    514.484  6637.96    522.822  116.066 4.0926  110.300 4.3763  5.765900       5.991741  
1 1 1 10  30  22 o 36.536  1.8497  725.974    72.956   648.300    236.428  734.148    76.699   33.661  6.7201  36.734  1.9346  -3.072800      6.993062  
1 1 1 10  30  23 o 52.098  3.8712  1490.96    216.877  1539.80    299.817  1437.35    314.103  52.621  5.3342  50.694  5.8266  1.927143       7.899520  
1 1 1 10  30  24 o 21.938  6.7957  269.713    178.104  306.038    236.193  221.836    271.167  23.704  7.8750  22.240  8.3337  1.464121       11.46589  
1 1 1 10  30  25 o 44.978  4.5867  1126.81    220.314  1174.41    311.740  1079.32    311.404  45.306  6.5424  43.282  6.8724  2.023705       9.488534  
1 1 1 10  30  26 o 21.806  7.0454  267.214    189.612  461.397    251.255  10.322     288.992  27.843  7.9423  18.490  7.9630  9.353012       11.24672  
1 1 1 10  30  27 o 90.397  3.3107  4489.21    324.145  4706.90    457.992  4270.71    458.830  91.842  4.6189  87.328  4.8704  4.514015       6.712243  
1 1 1 10  30  28 o 95.326  3.2689  5004.24    337.505  4836.26    468.709  5185.14    486.389  92.804  4.6781  96.208  4.6677  -3.403999      6.608466  
1 1 1 10  30  29 o 14.984  6.5051  4.7797     195.977  -33.4206   257.345  57.519     302.378  16.315  7.2541  18.871  8.1363  -2.556280      10.90048  
1 1 1 10  30  30 o 34.350  6.3312  729.949    226.872  808.576    295.880  617.764    353.427  34.961  7.9885  29.370  9.6271  5.590750       12.50989  
1 1 1 10  30  31 o 29.317  9.7737  648.221    363.707  669.123    455.034  611.243    605.230  28.967  10.807  27.813  11.734  1.153933       15.95231  
1 1 1 10  30  32 o 17.383  8.0207  -53.3681   351.920  44.549     434.632  -239.7718  599.679  19.726  9.0320  19.757  9.5082  -0.3135300E-01 13.11425  
1 1 1 10  30  33 o 20.854  8.6566  267.515    321.450  192.322    375.344  474.415    622.618  20.263  8.8950  24.541  11.067  -4.278088      14.19888  
1 1 1 10  31  0  o 400.503 9.0771  87076.66   3937.52  91376.01   5125.35  80884.68   6150.87  409.966 11.543  385.239 14.741  24.72623       18.72269  
1 1 1 10  31  1  o 330.742 8.0563  59356.23   2885.98  51420.56   4079.80  67304.24   4082.97  307.446 12.252  351.927 10.712  -44.48053      16.27405  
1 1 1 10  31  2  o 281.225 8.1640  42919.30   2486.71  43512.85   3027.15  41687.61   4360.68  283.026 9.8750  276.146 14.632  6.880646       17.65234  
1 1 1 10  31  3  o 264.347 7.8248  37920.01   2240.38  38015.29   3900.90  37873.12   2736.74  263.780 13.701  264.052 9.5692  -0.2714844     16.71182  
1 1 1 10  31  4  o 322.579 7.9248  56478.48   2768.82  50194.30   3914.67  62769.32   3916.74  303.678 11.902  339.765 10.643  -36.08679      15.96657  
1 1 1 10  31  5  o 506.992 12.039  139987.09  6610.69  135908.20  9349.24  144065.50  9348.63  498.053 17.331  512.953 16.827  -14.89938      24.15602  
1 1 1 10  31  6  o 214.286 6.3336  24910.00   1469.98  22490.79   2467.31  26241.25   1830.28  202.928 11.270  219.848 7.6864  -16.91936      13.64163  
1 1 1 10  31  7  o 50.172  2.7046  1367.63    146.429  1280.58    371.876  1383.61    159.298  48.011  7.3882  50.451  2.9278  -2.439438      7.947154  
1 1 1 10  31  8  o 238.433 4.5240  30820.15   1168.32  27689.42   2348.71  31849.52   1346.76  225.577 9.6131  242.345 5.1308  -16.76819      10.89667  
1 1 1 10  31  9  o 225.119 4.5205  27476.83   1102.22  26005.87   2082.25  28049.45   1299.16  218.658 8.7922  227.405 5.2746  -8.746521      10.25300  
1 1 1 10  31  10 o 170.891 3.3495  15826.54   619.963  16835.99   1255.17  15500.80   713.009  176.079 6.5815  169.102 3.8929  6.976364       7.646624  
1 1 1 10  31  11 o 175.614 3.4940  16715.66   664.593  15637.58   1340.89  17066.74   765.193  169.618 7.2988  177.427 3.9818  -7.808640      8.314265  
1 1 1 10  31  12 o 174.584 4.0753  16526.88   770.610  17006.02   1346.78  16293.65   939.628  176.880 7.0299  173.293 5.0061  3.586731       8.630201  
1 1 1 10  31  13 o 317.987 6.5989  54953.18   2272.73  51216.41   3945.13  56809.30   2780.47  305.769 11.912  323.056 7.9464  -17.28708      14.31956  
1 1 1 10  31  14 o 371.109 6.4129  74854.73   2577.65  74310.91   3645.95  75398.20   3644.74  369.075 9.1206  371.786 9.0511  -2.710907      12.84948  
1 1 1 10  31  15 o 162.501 3.4730  14317.86   611.274  15965.69   832.531  12390.42   900.396  171.528 4.4812  151.030 5.5043  20.49849       7.097761  
1 1 1 10  31  16 o 108.984 2.9304  6438.63    345.910  6521.42    494.442  6359.27    484.103  109.628 4.1641  108.258 4.1286  1.369659       5.863927  
1 1 1 10  31  17 o 135.618 3.6817  9978.97    540.805  10447.72   660.643  9026.78    941.581  138.712 4.3973  128.522 6.7882  10.18925       8.087959  
1 1 1 10  31  18 o 164.315 4.0245  14662.44   716.246  14224.58   1243.13  14880.03   876.317  161.366 7.1127  165.420 4.8911  -4.053497      8.632097  
1 1 1 10  31  19 o 273.490 4.9497  40734.11   1466.20  39176.57   2073.48  42291.79   2073.57  267.395 7.1594  277.943 6.8880  -10.54819      9.934862  
1 1 1 10  31  20 o 103.409 2.9932  5806.92    335.247  5899.24    468.925  5710.39    479.472  104.096 4.1591  102.394 4.3233  1.701492       5.999115  
1 1 1 10  31  21 o 70.991  3.0480  2739.59    234.361  2575.86    331.690  2902.83    331.184  68.542  4.4927  72.831  4.2164  -4.288406      6.161427  
1 1 1 10  31  22 o 113.154 3.1335  6968.55    384.037  6966.67    539.509  6970.47    546.785  112.864 4.4134  112.880 4.4723  -0.1591492E-01 6.283267  
1 1 1 10  31  23 o 72.249  3.2803  2845.52    256.697  2591.05    358.636  3112.84    367.577  68.510  4.8648  75.212  4.5334  -6.701828      6.649643  
1 1 1 10  31  24 o 75.927  3.2335  3146.25    265.909  3192.41    365.569  3094.39    387.491  76.095  4.4549  74.804  4.8081  1.290627       6.554719  
1 1 1 10  31  25 o 99.578  2.9756  5412.91    320.932  5809.75    488.284  5111.10    425.832  102.684 4.3903  96.426  4.0773  6.258064       5.991637  
1 1 1 10  31  26 o 85.052  2.7594  3950.52    254.197  3577.56    408.931  4185.38    324.511  80.163  4.7308  87.346  3.4302  -7.182785      5.843532  
1 1 1 10  31  27 o 52.230  2.3109  1487.82    130.727  1623.11    336.958  1463.85    141.837  53.227  5.9464  51.771  2.5295  1.455914       6.462071  
1 1 1 10  31  28 o 36.220  5.6152  761.506    213.156  908.607    284.577  573.493    321.726  38.970  6.9994  30.159  9.0937  8.810675       11.47553  
1 1 1 10  31  29 o 24.246  7.2536  365.985    205.285  188.796    272.816  597.258    311.684  20.457  8.1653  30.034  8.9270  -9.577362      12.09811  
1 1 1 10  31  30 o 18.350  7.3957  148.158    226.173  220.504    305.524  60.442     336.416  21.092  8.5624  19.145  8.4122  1.947769       12.00331  
1 1 1 10  31  31 o 14.570  6.9008  -217.3038  290.262  -167.2015  335.387  -366.8203  579.377  16.216  7.5981  19.306  9.3048  -3.089409      12.01297  
1 1 1 10  31  32 o 26.832  9.2602  554.726    326.809  754.427    384.289  32.909     621.194  30.353  10.043  21.662  10.210  8.691078       14.32119  
1 1 1 10  31  33 o 18.687  8.1796  130.459    315.384  57.674     366.671  337.421    618.300  18.540  8.4144  23.362  10.725  -4.822887      13.63189  
1 1 1 10  32  0  o 78.198  2.4709  3312.21    209.276  3222.27    235.673  3647.59    455.092  77.127  2.8212  81.874  5.1583  -4.746727      5.879416  
1 1 1 10  32  1  o 429.927 10.300  100436.60  4796.22  100554.50  6783.09  100318.80  6782.66  429.454 14.583  428.947 14.599  0.5069580      20.63470  
1 1 1 10  32  2  o 593.567 13.898  192019.70  8935.23  204526.09  12637.83 179519.30  12634.83 610.870 19.101  571.829 20.400  39.04132       27.94656  
1 1 1 10  32  3  o 528.385 12.511  152026.50  7159.94  150705.09  10125.99 153347.80  10125.37 524.612 17.821  529.243 17.664  -4.630798      25.09173  
1 1 1 10  32  4  o 207.546 6.3139  23362.75   1419.32  22589.55   2371.68  23794.17   1771.58  203.506 10.799  209.370 7.8122  -5.864334      13.32813  
1 1 1 10  32  5  o 184.123 5.8016  18384.64   1156.98  18320.84   1887.28  18423.06   1464.44  183.342 9.5369  184.239 7.3387  -0.8965912     12.03365  
1 1 1 10  32  6  o 217.932 5.8231  25760.14   1374.50  25921.25   1944.19  25599.14   1943.49  218.447 8.2172  217.082 8.2659  1.365402       11.65533  
1 1 1 10  32  7  o 219.245 3.8546  26050.60   915.330  30984.47   1848.16  24447.04   1053.63  238.893 7.1427  212.357 4.5809  26.53595       8.485472  
1 1 1 10  32  8  o 213.436 3.8974  24690.37   900.973  26253.84   1818.85  24181.99   1037.16  219.836 7.6389  211.197 4.5341  8.639282       8.883140  
1 1 1 10  32  9  o 135.519 3.2129  9951.82    471.591  8554.38    962.969  10392.71   540.892  125.296 7.1253  138.478 3.6063  -13.18204      7.985960  
1 1 1 10  32  10 o 181.689 3.6300  17892.46   714.349  17224.44   1441.76  18109.81   822.390  178.020 7.4775  182.766 4.1544  -4.745926      8.554076  
1 1 1 10  32  11 o 208.793 3.9711  23634.90   898.053  21812.38   1805.57  24233.96   1035.18  200.204 8.3267  211.387 4.5213  -11.18369      9.475039  
1 1 1 10  32  12 o 72.918  2.3588  2880.64    186.292  2977.38    455.953  2861.25    204.106  73.833  5.7469  72.669  2.5932  1.164352       6.304902  
1 1 1 10  32  13 o 168.459 4.2341  15391.10   772.543  15884.15   1270.76  15102.04   972.996  170.930 6.8639  166.793 5.3860  4.137039       8.724810  
1 1 1 10  32  14 o 98.352  3.3389  5243.78    355.679  5065.48    631.502  5326.62    430.446  96.363  6.0817  99.104  4.0101  -2.740555      7.284834  
1 1 1 10  32  15 o 248.066 5.2607  33420.33   1413.45  32785.41   2454.28  33735.42   1728.96  244.970 9.2500  249.061 6.4093  -4.090836      11.25352  
1 1 1 10  32  16 o 203.341 3.9498  22432.79   869.912  22735.94   1233.63  22132.96   1226.88  204.526 5.5688  201.790 5.6135  2.736252       7.907175  
1 1 1 10  32  17 o 307.225 6.8159  51453.38   2268.04  52292.10   2519.53  47870.23   5207.70  309.499 7.5161  291.255 16.577  18.24377       18.20116  
1 1 1 10  32  18 o 95.433  3.1586  4941.07    326.487  5635.35    606.666  4658.00    387.366  101.580 5.5349  92.618  3.8615  8.961838       6.748846  
1 1 1 10  32  19 o 90.095  2.9783  4405.25    290.624  4538.92    412.156  4273.06    409.863  91.358  4.1653  88.633  4.2695  2.725281       5.964716  
1 1 1 10  32  20 o 134.277 3.1490  9795.42    457.972  10287.78   641.073  9282.26    654.475  137.420 4.3071  130.471 4.6314  6.948715       6.324615  
1 1 1 10  32  21 o 55.923  3.4596  1708.61    208.520  1675.76    307.152  1736.70    283.991  55.075  5.2110  56.175  4.7111  -1.100006      7.024917  
1 1 1 10  32  22 o 56.571  3.6705  1752.39    223.683  1913.14    312.083  1582.56    320.768  58.865  4.9406  53.337  5.6380  5.527706       7.496379  
1 1 1 10  32  23 o 46.818  2.2715  1190.92    115.184  1151.07    274.112  1199.46    126.934  45.304  5.7133  46.903  2.5077  -1.598892      6.239422  
1 1 1 10  32  24 o 44.757  4.2452  1109.09    203.332  1155.50    270.186  1048.48    308.771  45.330  5.6239  42.752  6.9035  2.578388       8.904262  
1 1 1 10  32  25 o 32.530  6.0067  609.194    203.840  802.870    283.660  402.385    293.119  37.020  7.3338  26.632  8.7692  10.38806       11.43170  
1 1 1 10  32  26 o 39.885  4.9127  896.996    207.739  986.295    278.713  785.376    311.604  41.302  6.4406  36.122  8.1575  5.179901       10.39350  
1 1 1 10  32  27 o 63.385  3.8182  2225.93    260.902  2486.33    367.993  1962.74    369.956  66.402  5.1571  58.587  5.9110  7.815388       7.844480  
1 1 1 10  32  28 o 24.422  7.1343  359.643    200.536  397.640    264.364  308.147    307.760  25.649  8.3223  23.930  8.8957  1.718302       12.18170  
1 1 1 10  32  29 o 33.097  6.1508  662.416    212.376  536.572    317.833  763.928    285.457  28.398  9.1160  34.582  7.8062  -6.183836      12.00155  
1 1 1 10  32  30 o 32.839  6.7330  680.013    231.436  702.910    289.677  639.604    384.828  32.288  8.2521  29.538  10.053  2.750177       13.00619  
1 1 1 10  32  31 o 27.386  9.1023  545.553    315.538  452.203    373.872  776.661    588.265  25.236  9.7090  29.717  11.945  -4.480255      15.39290  
1 1 1 10  32  32 o 23.162  10.586  264.284    593.449  0.0000     0.0000   264.284    593.449  ?       ?       23.162  10.586  0.000000       10.58621  
1 1 1 10  32  33 o 21.950  10.229  171.106    594.610  0.0000     0.0000   171.106    594.610  ?       ?       21.950  10.229  0.000000       10.22936  
1 1 1 10  33  0  f 338.975 8.6777  62380.81   3185.96  63227.09   3646.20  59649.03   6551.00  341.143 9.8681  329.545 18.427  11.59772       20.90338  
1 1 1 10  33  1  o 463.618 11.049  116881.40  5548.14  113586.30  7846.10  120176.80  7846.41  456.039 15.885  469.192 15.440  -13.15292      22.15228  
1 1 1 10  33  2  o 225.575 5.9763  27590.89   1460.13  27146.11   2066.26  28034.54   2063.61  223.603 8.5317  227.243 8.3843  -3.639481      11.96189  
1 1 1 10  33  3  o 200.787 5.5089  21857.50   1198.04  22753.19   1694.00  20961.19   1694.58  204.753 7.6386  196.506 7.9619  8.246719       11.03356  
1 1 1 10  33  4  o 202.606 5.5251  22257.34   1212.45  20744.26   1713.57  23774.27   1715.75  195.462 8.0941  209.285 7.5691  -13.82300      11.08181  
1 1 1 10  33  5  o 94.588  3.9988  4848.53    409.666  4422.24    576.885  5282.19    581.857  90.101  5.9448  98.546  5.4729  -8.444977      8.080471  
1 1 1 10  33  6  o 295.725 8.6282  47527.17   2763.60  47411.06   4880.86  47581.96   3352.83  293.852 15.389  295.650 10.470  -1.797821      18.61317  
1 1 1 10  33  7  f 210.242 4.1415  23958.60   943.071  22084.17   1900.47  24570.96   1086.25  201.549 8.7058  212.885 4.7110  -11.33562      9.898727  
1 1 1 10  33  8  o 100.379 2.7448  5458.87    298.410  5482.20    635.224  5452.27    338.032  100.348 5.8701  100.312 3.1113  0.3562927E-01  6.643649  
1 1 1 10  33  9  o 93.745  2.7311  4761.33    277.303  4205.90    590.222  4918.67    314.133  87.803  6.2471  95.276  3.0441  -7.472664      6.949313  
1 1 1 10  33  10 o 86.651  2.6478  4068.03    248.502  4605.01    538.543  3922.77    280.104  91.964  5.4308  85.083  3.0395  6.881172       6.223509  
1 1 1 10  33  11 o 151.525 3.2369  12443.20   531.227  13998.69   1079.40  11946.01   610.247  160.555 6.2071  148.445 3.7955  12.10963       7.275555  
1 1 1 10  33  12 o 140.724 3.1670  10732.77   482.706  10676.49   979.405  10750.83   554.764  140.183 6.4505  140.825 3.6371  -0.6413116     7.405277  
1 1 1 10  33  13 o 160.761 3.3412  14009.06   581.777  13921.56   1172.13  14037.67   670.152  160.027 6.7626  160.901 3.8454  -0.8741302     7.779447  
1 1 1 10  33  14 o 215.093 4.0329  25092.79   939.540  25465.07   1886.53  24969.99   1083.46  216.197 8.0565  214.512 4.6633  1.684708       9.308746  
1 1 1 10  33  15 o 111.705 3.4040  6765.85    411.846  6726.54    724.710  6784.61    500.526  111.069 6.0470  111.827 4.1325  -0.7577057     7.324158  
1 1 1 10  33  16 o 134.820 3.6287  9859.18    529.873  9666.06    928.893  9952.33    645.131  133.265 6.4355  135.404 4.3989  -2.139587      7.795233  
1 1 1 10  33  17 o 73.604  4.3368  2952.18    344.204  2938.79    483.345  2965.95    490.285  73.206  6.1530  73.537  6.2138  -0.3310318     8.744762  
1 1 1 10  33  18 o 149.666 3.8240  12164.34   619.891  11678.26   1073.71  12407.36   759.197  146.212 6.7801  151.055 4.6403  -4.842789      8.215987  
1 1 1 10  33  19 o 215.923 4.1283  25357.80   965.473  25388.72   1363.91  25326.75   1366.86  215.590 5.8410  215.321 5.8610  0.2695923      8.274546  
1 1 1 10  33  20 o 164.566 3.5341  14728.31   629.919  14096.26   854.210  15481.74   932.627  160.683 4.9082  168.336 5.1152  -7.652985      7.089129  
1 1 1 10  33  21 o 133.955 3.1604  9759.99    458.531  10403.78   655.273  9142.30    641.856  138.026 4.3832  129.338 4.5818  8.688141       6.340788  
1 1 1 10  33  22 o 149.458 3.4002  12171.03   550.412  12098.32   755.808  12253.13   803.149  148.602 4.6959  149.449 4.9617  -0.8474731     6.831547  
1 1 1 10  33  23 o 13.288  5.8291  -35.1869   160.954  -90.0969   209.079  44.694     252.177  14.371  6.4532  18.198  7.6201  -3.827381      9.985441  
1 1 1 10  33  24 f 54.730  3.8149  1648.13    224.726  1783.26    292.540  1453.58    351.011  56.684  4.8103  50.592  6.5601  6.091904       8.134768  
1 1 1 10  33  25 o 52.570  3.9801  1527.35    224.943  1272.00    310.520  1809.32    326.301  47.246  6.2192  56.799  5.3676  -9.552891      8.215225  
1 1 1 10  33  26 o 38.786  4.9501  849.850    203.211  871.405    270.277  821.820    308.211  38.658  6.6977  37.038  7.9227  1.620575       10.37440  
1 1 1 10  33  27 o 47.250  4.3810  1250.19    221.654  972.644    297.758  1595.15    331.955  40.571  7.0308  52.756  5.9111  -12.18545      9.185494  
1 1 1 10  33  28 o 56.654  4.1217  1797.88    251.181  1761.82    353.127  1834.81    357.359  55.072  6.0180  56.249  5.9563  -1.176998      8.467257  
1 1 1 10  33  29 o 50.988  4.3330  1483.01    237.025  1427.23    319.086  1551.68    354.041  48.787  6.1769  50.537  6.6279  -1.749714      9.059937  
1 1 1 10  33  30 o 9.4110  2.9358  49.030     33.175   0.0000     0.0000   49.030     33.175   ?       ?       9.4110  2.9358  0.000000       2.935807  
1 1 1 10  33  31 o 28.807  11.958  721.517    613.336  0.0000     0.0000   721.517    613.336  ?       ?       28.807  11.958  0.000000       11.95774  
1 1 1 10  33  32 o 24.704  11.082  437.431    614.842  0.0000     0.0000   437.431    614.842  ?       ?       24.704  11.082  0.000000       11.08180  
1 1 1 10  34  0  o 381.181 7.4453  78839.91   3073.84  77914.57   3762.62  80696.66   5329.86  378.747 9.1721  384.917 12.784  -6.169403      15.73429  
1 1 1 10  34  1  o 318.538 7.8529  55071.13   2709.32  59044.11   3832.65  51102.71   3830.46  329.512 10.739  306.454 11.540  23.05728       15.76391  
1 1 1 10  34  2  o 285.939 8.2194  44389.70   2545.55  41746.34   4472.99  45655.87   3095.75  276.084 15.015  289.828 9.8618  -13.74356      17.96391  
1 1 1 10  34  3  o 517.817 12.251  146069.00  6870.95  151977.91  9717.98  140162.50  9716.01  526.741 17.034  505.609 17.742  21.13275       24.59524  
1 1 1 10  34  4  o 398.084 9.6017  86154.09   4139.92  81008.80   5854.51  91300.17   5854.95  385.167 14.034  409.093 13.214  -23.92575      19.27566  
1 1 1 10  34  5  o 229.808 6.6275  28657.53   1649.61  24961.04   2799.15  30624.46   2041.86  213.634 12.147  237.460 7.9390  -23.82674      14.51162  
1 1 1 10  34  6  o 124.621 4.2754  8418.04    577.083  8198.73    815.079  8638.46    817.162  122.929 6.1218  126.188 5.9789  -3.258865      8.557052  
1 1 1 10  34  7  o 191.771 3.5934  19929.69   746.372  20010.76   1507.89  19903.38   858.978  191.960 7.2525  191.623 4.1387  0.3372498      8.350325  
1 1 1 10  34  8  o 297.759 5.2098  48088.25   1680.20  48784.05   3372.74  47858.57   1937.77  299.218 10.407  296.970 6.0245  2.247925       12.02495  
1 1 1 10  34  9  o 245.059 4.4999  32563.47   1194.38  32118.72   2402.26  32709.52   1376.57  242.900 9.1311  245.557 5.1758  -2.657547      10.49600  
1 1 1 10  34  10 o 123.928 2.9227  8321.99    392.299  8251.02    809.552  8343.77    448.473  123.281 6.0629  124.079 3.3371  -0.7980728     6.920602  
1 1 1 10  34  11 o 165.138 3.5388  14781.95   632.957  15229.67   1226.24  14619.33   739.019  167.418 6.7624  164.199 4.1554  3.218811       7.937146  
1 1 1 10  34  12 o 98.140  2.7592  5219.07    293.291  4769.31    616.669  5350.54    333.414  93.508  6.1227  99.361  3.0981  -5.853142      6.861878  
1 1 1 10  34  13 o 115.569 2.9705  7238.46    371.829  5513.00    754.408  7792.11    427.340  100.449 6.9774  119.897 3.2908  -19.44781      7.714476  
1 1 1 10  34  14 o 121.932 3.0302  8058.54    400.190  7418.54    811.506  8264.20    460.016  116.634 6.4489  123.463 3.4401  -6.828583      7.309072  
1 1 1 10  34  15 o 223.159 4.1605  27020.07   1005.60  24475.52   2012.57  27866.72   1160.91  211.707 8.7770  226.566 4.7308  -14.85899      9.970742  
1 1 1 10  34  16 f 88.480  2.8685  4244.06    274.892  4023.75    552.408  4316.56    316.918  85.797  5.9820  89.218  3.2796  -3.420982      6.822015  
1 1 1 10  34  17 o 125.854 4.3875  8603.37    598.070  8384.50    844.492  8823.60    847.112  123.887 6.3146  127.272 6.1452  -3.385170      8.811198  
1 1 1 10  34  18 o 70.646  3.6013  2716.81    274.647  2464.94    460.719  2855.66    342.073  66.887  6.4391  72.345  4.3863  -5.458260      7.791073  
1 1 1 10  34  19 o 97.502  3.4629  5164.79    365.695  5002.62    657.425  5237.45    440.059  95.386  6.4005  98.119  4.1408  -2.732574      7.623201  
1 1 1 10  34  20 o 45.467  4.3597  1137.18    212.065  1125.87    375.949  1142.46    256.824  44.433  8.1108  45.403  5.3236  -0.9699631     9.701840  
1 1 1 10  34  21 f 112.154 3.5018  6849.58    425.386  6736.72    780.917  6897.21    507.249  110.282 6.5675  112.415 4.1661  -2.133011      7.777424  
1 1 1 10  34  22 o 73.237  3.8827  2936.41    306.887  2846.75    552.409  2976.44    369.082  71.153  7.2701  73.563  4.6563  -2.409607      8.633364  
1 1 1 10  34  23 o 34.407  5.1104  665.722    184.660  580.814    244.283  778.930    282.070  31.593  7.2876  36.666  7.3585  -5.073662      10.35644  
1 1 1 10  34  24 o 48.439  2.3581  1276.29    123.715  1488.56    280.982  1225.24    137.790  51.666  5.0871  47.353  2.6977  4.313053       5.758161  
1 1 1 10  34  25 o 40.774  1.7735  903.081    78.323   315.043    437.689  922.534    79.608   26.754  10.445  41.210  1.7836  -14.45588      10.59642  
1 1 1 10  34  26 o 44.448  2.1842  1075.93    105.150  721.820    458.649  1095.57    108.027  34.006  10.954  44.847  2.2240  -10.84154      11.17785  
1 1 1 10  34  27 o 73.673  2.9847  2975.36    238.166  2443.55    587.485  3079.95    260.536  63.489  8.7782  74.885  3.2122  -11.39608      9.347511  
1 1 1 10  34  28 o 11.976  2.7178  81.771     34.444   11.445     494.038  82.115     34.528   22.631  10.057  12.001  2.7193  10.62969       10.41820  
1 1 1 10  34  29 o 14.045  6.6132  -208.4737  259.498  -40.0749   493.598  -272.7950  305.057  21.215  9.6801  14.807  7.0308  6.407515       11.96397  
1 1 1 10  34  30 o 24.012  9.6226  349.842    380.522  0.0000     0.0000   349.842    380.522  ?       ?       24.012  9.6226  0.000000       9.622636  
1 1 1 10  34  31 o 20.343  9.6868  -186.2121  587.362  0.0000     0.0000   -186.2121  587.362  ?       ?       20.343  9.6868  0.000000       9.686836  
1 1 1 10  34  32 o 18.270  8.7031  -183.3183  475.096  0.0000     0.0000   -183.3183  475.096  ?       ?       18.270  8.7031  0.000000       8.703078  
1 1 1 10  35  0  f 190.298 3.8933  19622.43   802.466  17529.64   1134.67  21716.63   1135.05  179.801 5.8265  200.149 5.2359  -20.34857      7.833427  
1 1 1 10  35  1  o 355.048 8.6300  68461.91   3318.71  62282.14   4692.41  74646.67   4694.31  338.068 12.815  370.299 11.704  -32.23059      17.35568  
1 1 1 10  35  2  o 217.583 6.6001  25682.63   1555.41  25290.41   2627.18  25894.30   1930.01  215.263 11.308  218.378 8.1598  -3.114685      13.94439  
1 1 1 10  35  3  o 478.443 13.633  124927.40  7064.68  128167.80  12939.41 123551.20  8432.45  479.667 24.992  474.986 16.391  4.681549       29.88790  
1 1 1 10  35  4  o 206.387 6.1777  23106.93   1380.97  21182.48   2299.24  24192.93   1727.21  196.968 10.819  211.093 7.5544  -14.12447      13.19541  
1 1 1 10  35  5  o 275.491 6.9833  41196.61   2083.72  41089.29   2947.27  41303.87   2946.38  274.810 9.9018  275.531 9.8730  -0.7203369     13.98292  
1 1 1 10  35  6  o 468.208 13.244  119774.40  6716.12  118996.60  12286.60 120105.90  8020.40  461.082 24.692  467.974 15.824  -6.892090      29.32743  
1 1 1 10  35  7  o 466.519 7.8947  118262.10  3989.08  117160.30  7986.95  118628.20  4604.51  461.941 15.963  466.981 9.1036  -5.039764      18.37674  
1 1 1 10  35  8  o 234.239 4.4145  29748.03   1119.99  27044.06   2254.16  30634.36   1290.56  222.895 9.3371  237.663 5.0136  -14.76799      10.59800  
1 1 1 10  35  9  o 96.810  2.6212  5077.80    274.843  5734.88    591.221  4896.65    310.426  102.675 5.3348  95.061  3.0150  7.613571       6.127789  
1 1 1 10  35  10 o 163.689 3.3901  14521.93   601.031  15029.07   1221.22  14359.83   690.438  166.323 6.7791  162.751 3.9168  3.572601       7.829231  
1 1 1 10  35  11 o 247.454 4.5601  33212.38   1222.18  30841.07   2454.59  33994.07   1409.30  237.839 9.5285  250.291 5.1986  -12.45193      10.85441  
1 1 1 10  35  12 o 292.705 5.2656  46501.29   1669.35  41718.55   3345.91  48086.41   1926.22  276.170 11.186  297.557 5.9768  -21.38690      12.68242  
1 1 1 10  35  13 o 39.817  3.5771  866.438    152.616  134.862    346.069  1043.07    170.045  22.881  9.1741  43.712  3.6243  -20.83138      9.864076  
1 1 1 10  35  14 o 94.930  2.8630  4884.25    294.370  3997.30    602.970  5161.80    337.297  85.485  6.5624  97.581  3.1914  -12.09577      7.297274  
1 1 1 10  35  15 o 90.430  2.8105  4432.43    275.276  4039.68    561.792  4556.52    315.784  85.981  6.0716  91.676  3.1803  -5.694649      6.854101  
1 1 1 10  35  16 o 77.984  2.5508  3296.28    215.453  3205.82    502.674  3316.64    238.468  76.509  6.1172  78.217  2.8149  -1.708038      6.733747  
1 1 1 10  35  17 o 62.693  3.8298  2141.54    258.810  1952.87    426.304  2251.67    325.702  59.458  6.7387  64.193  4.7175  -4.734997      8.225855  
1 1 1 10  35  18 o 64.473  3.6867  2264.94    256.377  2174.26    429.234  2315.23    319.662  62.773  6.4029  65.083  4.5636  -2.310471      7.862801  
1 1 1 10  35  19 o 79.920  2.9314  3467.32    253.743  3313.89    505.241  3519.07    293.433  77.599  6.0594  80.484  3.3661  -2.884132      6.931587  
1 1 1 10  35  20 o 126.507 3.6139  8708.92    495.172  8709.30    876.935  8708.74    599.975  125.688 6.4636  126.362 4.3838  -0.6745071     7.809993  
1 1 1 10  35  21 o 133.187 3.7679  9670.07    543.532  9466.71    953.277  9768.03    661.614  130.665 6.7589  133.652 4.5704  -2.987030      8.159153  
1 1 1 10  35  22 o 194.184 4.4695  20648.42   940.038  21714.93   1634.11  20120.93   1149.23  197.043 7.6568  191.116 5.5519  5.927322       9.457833  
1 1 1 10  35  23 o 91.865  3.2695  4603.79    325.315  4583.71    652.933  4610.42    375.202  90.383  6.7178  91.820  3.7728  -1.437035      7.704733  
1 1 1 10  35  24 o 46.917  5.1376  1231.08    256.803  1377.23    460.851  1165.27    309.269  48.149  9.1720  45.203  6.5040  2.945137       11.24399  
1 1 1 10  35  25 o 53.818  4.7543  1615.65    274.280  1833.58    490.249  1516.36    330.917  55.775  8.3739  51.672  6.0259  4.102825       10.31672  
1 1 1 10  35  26 o 53.907  5.0861  1635.81    293.453  1242.88    491.204  1853.88    365.933  44.349  10.405  57.000  6.0183  -12.65118      12.02042  
1 1 1 10  35  27 f 16.213  7.0928  -20.9154   236.848  -47.1080   417.997  -8.5291    287.445  20.832  9.2547  17.970  7.8388  2.862413       12.12830  
1 1 1 10  35  28 o 48.403  5.5277  1355.87    284.594  900.886    512.682  1558.52    342.152  35.824  11.586  51.481  6.2654  -15.65667      13.17163  
1 1 1 10  35  29 o 48.020  2.1909  1264.96    113.951  1383.93    551.679  1259.66    116.463  42.426  11.650  47.904  2.2446  -5.478344      11.86414  
1 1 1 10  35  30 f 34.609  9.0124  840.519    341.161  0.0000     0.0000   840.519    341.161  ?       ?       34.609  9.0124  0.000000       9.012364  
1 1 1 10  35  31 o 33.139  11.719  985.872    525.219  0.0000     0.0000   985.872    525.219  ?       ?       33.139  11.719  0.000000       11.71855  
1 1 1 10  35  32 o 30.607  11.604  910.198    529.257  0.0000     0.0000   910.198    529.257  ?       ?       30.607  11.604  0.000000       11.60446  
1 1 1 10  36  0  o 580.654 10.812  183435.50  6799.77  181827.00  8326.28  186656.30  11782.38 577.415 13.314  583.074 18.657  -5.659485      22.92005  
1 1 1 10  36  1  o 269.884 6.8606  39520.62   2005.44  40344.45   2836.68  38697.43   2835.57  272.433 9.6135  266.793 9.8129  5.639709       13.73721  
1 1 1 10  36  2  o 66.235  4.0878  2386.56    291.820  2175.29    416.588  2590.11    408.912  63.026  6.1822  68.892  5.5266  -5.866154      8.292360  
1 1 1 10  36  3  o 323.968 8.0010  56999.27   2807.47  58057.89   3970.77  55941.07   3969.95  326.517 11.228  320.476 11.437  6.041107       16.02731  
1 1 1 10  36  4  o 421.349 10.130  96604.68   4622.91  93087.29   6537.93  100121.70  6537.62  412.540 14.632  427.994 14.103  -15.45398      20.32217  
1 1 1 10  36  5  o 466.468 11.144  118560.20  5630.25  116092.30  7962.90  121027.40  7961.83  460.109 15.979  469.909 15.643  -9.799469      22.36138  
1 1 1 10  36  6  o 429.769 10.326  100584.00  4806.36  99177.36   6797.98  101990.10  6796.46  425.525 14.750  431.586 14.539  -6.060822      20.71108  
1 1 1 10  36  7  o 64.412  2.5241  2247.67    176.097  2185.84    400.807  2262.45    196.030  63.193  5.9251  64.621  2.8008  -1.427837      6.553710  
1 1 1 10  36  8  o 137.106 2.9414  10185.50   436.797  11059.39   904.098  9919.41    498.884  142.755 5.8473  135.291 3.4046  7.464020       6.766217  
1 1 1 10  36  9  o 190.620 3.7658  19696.04   777.493  19058.47   1572.90  19902.19   894.402  187.228 7.7564  191.587 4.3102  -4.359497      8.873543  
1 1 1 10  36  10 o 75.745  2.4758  3108.35    203.114  2901.15    492.146  3150.89    222.991  72.820  6.3020  76.258  2.6998  -3.437958      6.855918  
1 1 1 10  36  11 o 229.922 4.3435  28669.55   1081.67  26341.61   2175.16  29434.35   1246.75  219.854 9.1345  232.920 4.9420  -13.06578      10.38573  
1 1 1 10  36  12 o 256.143 4.5948  35592.00   1274.74  36985.80   2560.61  35132.77   1469.82  260.461 9.0768  254.409 5.3341  6.051956       10.52807  
1 1 1 10  36  13 o 373.612 6.4531  75874.67   2611.30  75030.62   5229.59  76155.02   3013.93  369.408 13.070  374.074 7.4389  -4.665497      15.03907  
1 1 1 10  36  14 o 368.016 6.2653  73637.67   2497.34  73162.30   5001.08  73795.59   2882.46  364.599 12.664  368.168 7.2285  -3.568787      14.58194  
1 1 1 10  36  15 o 102.879 2.8335  5737.03    315.732  6425.12    647.995  5522.82    361.553  108.595 5.5275  100.923 3.3076  7.671921       6.441554  
1 1 1 10  36  16 o 213.623 4.0065  24767.98   926.997  23388.00   1855.15  25227.21   1070.18  206.844 8.2807  215.521 4.5846  -8.676544      9.465063  
1 1 1 10  36  17 o 21.152  7.0599  230.482    189.751  138.485    305.785  288.089    241.974  21.809  8.6636  23.706  7.9721  -1.896822      11.77340  
1 1 1 10  36  18 o 51.186  3.9517  1432.26    217.382  1543.11    376.339  1376.75    266.300  52.693  6.7492  50.037  4.9799  2.655952       8.387521  
1 1 1 10  36  19 o 141.112 3.2252  10817.02   492.934  10158.96   975.363  11042.76   571.257  136.083 6.6175  142.508 3.7010  -6.424866      7.582124  
1 1 1 10  36  20 o 28.628  5.8986  465.923    176.817  304.664    437.214  497.455    193.332  27.428  10.512  29.545  6.2373  -2.117680      12.22296  
1 1 1 10  36  21 o 24.686  6.8830  347.474    190.954  -134.2094  421.640  471.760    214.177  20.791  9.2622  28.624  6.9727  -7.833273      11.59337  
1 1 1 10  36  22 o 157.002 3.4998  13443.41   595.149  14192.23   1192.05  13194.77   686.883  159.712 6.8910  155.347 4.0823  4.364944       8.009483  
1 1 1 10  36  23 o 112.009 3.1800  6842.32    385.789  8301.01    780.226  6370.27    443.843  122.333 5.8885  107.915 3.7973  14.41808       7.006759  
1 1 1 10  36  24 o 47.985  4.4451  1277.89    228.398  1869.66    468.677  1093.58    261.558  56.869  7.8156  44.032  5.6120  12.83694       9.621758  
1 1 1 10  36  25 o 33.670  6.2370  656.458    219.075  719.642    444.075  636.135    251.856  34.235  10.751  32.809  7.2779  1.425926       12.98295  
1 1 1 10  36  26 o 6.9829  2.7860  13.430     31.747   -406.0755  413.593  15.917     31.841   17.384  8.2344  7.1369  2.8081  10.24664       8.700085  
1 1 1 10  36  27 o 28.684  7.3008  497.529    227.394  -249.5187  446.317  759.432    264.265  19.399  8.9795  35.643  7.0948  -16.24359      11.44409  
1 1 1 10  36  28 o 31.357  7.3301  609.049    244.484  968.511    458.422  466.169    289.017  37.423  10.745  27.161  8.6902  10.26215       13.81939  
1 1 1 10  36  29 o 16.205  7.1651  -6.2270    247.687  -382.2073  470.794  137.667    291.253  17.892  8.5615  19.564  8.1904  -1.672325      11.84828  
1 1 1 10  36  30 o 41.453  10.924  1327.41    497.386  0.0000     0.0000   1327.41    497.386  ?       ?       41.453  10.924  0.000000       10.92429  
1 1 1 10  36  31 o 18.127  8.6998  -302.9775  494.111  0.0000     0.0000   -302.9775  494.111  ?       ?       18.127  8.6998  0.000000       8.699785  
1 1 1 10  36  32 o 18.711  8.8488  -120.1456  473.936  0.0000     0.0000   -120.1456  473.936  ?       ?       18.711  8.8488  0.000000       8.848813  
1 1 1 10  37  0  o 529.205 9.0038  152183.20  5160.83  156177.59  7298.90  148189.59  7298.12  535.236 12.590  521.275 12.926  13.96075       18.04465  
1 1 1 10  37  1  o 450.438 10.663  110414.60  5202.12  121790.30  7358.74  99050.27   7355.09  472.131 14.390  425.346 15.965  46.78510       21.49349  
1 1 1 10  37  2  o 640.888 15.102  224688.91  10482.90 214450.80  14824.94 234927.41  14825.18 622.634 21.983  652.291 20.984  -29.65710      30.39059  
1 1 1 10  37  3  o 509.172 12.100  141352.41  6672.75  138949.59  9436.99  143754.80  9436.39  503.052 17.320  511.795 17.023  -8.743744      24.28525  
1 1 1 10  37  4  o 226.151 5.9914  27745.58   1467.56  27188.09   2075.28  28303.23   2075.59  223.665 8.5666  228.221 8.3968  -4.556702      11.99558  
1 1 1 10  37  5  o 197.287 5.4396  21110.16   1162.35  20327.32   1643.41  21893.77   1644.22  193.437 7.8440  200.774 7.5611  -7.337158      10.89485  
1 1 1 10  37  6  o 210.576 6.3657  24066.11   1451.87  22917.84   2431.42  24702.43   1809.98  204.756 11.004  213.221 7.8374  -8.464783      13.50968  
1 1 1 10  37  7  o 197.571 3.8597  21157.56   825.932  22501.40   2069.48  20902.96   900.781  203.314 9.3977  196.362 4.2354  6.952774       10.30804  
1 1 1 10  37  8  o 120.584 2.9007  7878.63    378.842  7773.94    790.916  7909.80    431.572  119.515 6.1306  120.813 3.2981  -1.298302      6.961456  
1 1 1 10  37  9  o 54.889  2.6711  1632.36    158.801  1673.20    392.413  1624.36    173.655  55.096  6.7147  54.672  2.9434  0.4243279      7.331524  
1 1 1 10  37  10 o 169.466 3.4843  15566.31   639.549  15089.00   1298.99  15719.04   734.775  166.610 7.1984  170.273 3.9842  -3.662613      8.227427  
1 1 1 10  37  11 o 122.676 2.9937  8155.64    397.772  7804.80    823.461  8262.42    454.288  119.693 6.3749  123.464 3.3972  -3.770477      7.223557  
1 1 1 10  37  12 o 117.353 2.9500  7463.52    374.964  6775.72    774.704  7673.94    428.499  111.480 6.4436  118.984 3.3250  -7.504829      7.250858  
1 1 1 10  37  13 o 150.595 3.2954  12294.03   537.511  11536.55   1089.26  12537.85   617.995  145.635 6.9055  152.058 3.7524  -6.422989      7.859149  
1 1 1 10  37  14 o 204.050 3.9374  22584.76   870.201  21030.51   1749.48  23095.71   1003.09  196.369 8.2255  206.295 4.4893  -9.925507      9.370892  
1 1 1 10  37  15 o 232.601 4.2418  29362.57   1068.63  32124.34   2145.81  28451.71   1232.31  242.593 8.1666  228.873 4.9711  13.71918       9.560664  
1 1 1 10  37  16 o 97.226  2.6720  5124.44    281.376  5319.84    609.016  5071.42    317.268  98.718  5.7204  96.707  3.0290  2.010376       6.472884  
1 1 1 10  37  17 o 81.865  3.4665  3637.35    307.372  3611.36    522.452  3651.11    380.117  81.181  5.9840  81.860  4.3023  -0.6784744     7.370097  
1 1 1 10  37  18 o 152.636 3.7903  12660.29   626.612  12882.51   1094.22  12551.86   764.350  153.441 6.5841  151.850 4.6474  1.590668       8.059039  
1 1 1 10  37  19 o 116.199 2.9919  7332.73    376.547  7054.62    744.934  7428.17    436.403  113.318 6.0918  116.899 3.4467  -3.581467      6.999275  
1 1 1 10  37  20 o 151.180 3.3539  12433.93   549.182  13146.79   1128.27  12212.60   628.683  154.387 6.7473  149.714 3.8770  4.673019       7.781893  
1 1 1 10  37  21 o 94.981  3.1972  4910.30    328.911  5159.52    728.528  4846.50    368.616  96.196  7.0412  94.297  3.6092  1.898773       7.912323  
1 1 1 10  37  22 f 111.673 3.2096  6795.05    388.216  7127.27    780.616  6685.89    447.476  113.185 6.3938  110.654 3.7337  2.531044       7.404129  
1 1 1 10  37  23 o 120.764 3.1900  7955.23    417.250  8026.91    854.592  7932.80    478.110  119.727 6.6159  120.455 3.6647  -0.7283783     7.563025  
1 1 1 10  37  24 f 59.421  3.8415  1944.26    245.915  2651.58    504.662  1724.01    281.612  68.270  6.9206  55.703  4.7118  12.56684       8.372334  
1 1 1 10  37  25 o 33.662  6.2047  656.181    217.885  714.663    439.868  637.166    250.818  34.093  10.699  32.830  7.2476  1.262554       12.92285  
1 1 1 10  37  26 o 38.225  5.6522  838.319    226.956  1643.54    455.361  572.179    261.789  52.395  8.3007  30.769  7.8346  21.62628       11.41416  
1 1 1 10  37  27 o 41.693  5.4093  996.862    238.516  912.298    474.385  1025.47    275.929  37.121  11.009  41.912  6.2711  -4.791103      12.66952  
1 1 1 10  37  28 o 23.828  8.0100  344.142    244.278  759.823    451.882  172.514    290.361  33.045  10.888  20.620  8.3554  12.42511       13.72481  
1 1 1 10  37  29 o 15.982  2.3286  143.220    39.125   225.973    445.609  142.577    39.276   23.189  9.9353  15.942  2.3448  7.247329       10.20819  
1 1 1 10  37  30 o 18.362  8.6736  -222.9821  452.945  0.0000     0.0000   -222.9821  452.945  ?       ?       18.362  8.6736  0.000000       8.673553  
1 1 1 10  37  31 o 31.469  11.123  857.247    473.180  0.0000     0.0000   857.247    473.180  ?       ?       31.469  11.123  0.000000       11.12340  
1 1 1 10  37  32 o 22.519  10.081  268.715    506.107  0.0000     0.0000   268.715    506.107  ?       ?       22.519  10.081  0.000000       10.08115  
1 1 1 10  38  0  o 454.424 9.0616  112239.60  4460.04  111844.60  6307.53  112634.50  6307.37  452.789 12.862  454.397 12.816  -1.607849      18.15659  
1 1 1 10  38  1  o 281.230 7.0982  42929.26   2162.13  41237.23   3057.48  44621.80   3057.94  275.292 10.254  286.418 9.8573  -11.12610      14.22371  
1 1 1 10  38  2  f 420.081 10.089  96018.98   4590.31  98521.49   6492.50  93517.75   6490.85  424.562 14.119  413.538 14.492  11.02347       20.23240  
1 1 1 10  38  3  o 381.971 9.2624  79340.20   3832.00  78782.48   5419.62  79897.78   5418.93  379.828 13.174  382.529 13.079  -2.701813      18.56375  
1 1 1 10  38  4  o 354.978 8.6689  68498.12   3333.01  69478.34   4714.46  67518.62   4712.71  356.853 12.198  351.747 12.370  5.105865       17.37232  
1 1 1 10  38  5  f 315.512 7.8301  54084.70   2675.79  52549.73   3784.54  55619.00   3783.73  310.469 11.254  319.467 10.935  -8.997437      15.69205  
1 1 1 10  38  6  o 492.471 11.746  132358.41  6265.23  128787.70  8861.06  135927.91  8859.69  483.793 16.910  497.234 16.451  -13.44086      23.59224  
1 1 1 10  38  7  o 119.578 2.7236  7747.14    352.755  8595.82    733.404  7491.71    402.354  125.876 5.3793  117.581 3.1594  8.294510       6.238504  
1 1 1 10  38  8  o 147.565 3.2830  11800.64   524.720  11264.23   1207.15  11925.60   582.643  143.734 7.7831  148.333 3.6266  -4.598724      8.586548  
1 1 1 10  38  9  o 165.048 3.2961  14763.39   589.216  16937.90   1203.78  14078.27   675.692  176.611 6.2930  161.150 3.8712  15.46120       7.388383  
1 1 1 10  38  10 o 121.833 3.0088  8043.75    397.038  7591.80    824.181  8180.33    453.076  118.043 6.4710  122.852 3.4050  -4.808273      7.312160  
1 1 1 10  38  11 o 120.894 2.9826  7920.54    390.545  7257.96    809.937  8121.27    445.795  115.394 6.5069  122.405 3.3625  -7.011223      7.324373  
1 1 1 10  38  12 o 223.980 4.2209  27209.12   1023.96  24459.24   2060.97  28110.37   1179.88  211.795 8.9844  227.609 4.7860  -15.81485      10.17963  
1 1 1 10  38  13 o 264.975 4.7095  38103.55   1351.61  39199.36   2713.64  37742.00   1558.71  267.930 9.3511  263.620 5.4591  4.310028       10.82793  
1 1 1 10  38  14 o 75.808  2.8019  3114.80    230.055  2941.61    489.378  3163.93    260.651  73.289  6.2239  76.395  3.1501  -3.106018      6.975706  
1 1 1 10  38  15 o 136.254 3.1037  10066.05   458.038  9863.60    927.281  10131.39   526.792  134.617 6.3597  136.669 3.5588  -2.051712      7.287735  
1 1 1 10  38  16 o 163.327 3.3608  14471.04   594.527  14559.50   1194.71  14441.93   685.422  163.404 6.7504  163.117 3.8796  0.2869720      7.785850  
1 1 1 10  38  17 o 168.928 3.5321  15491.19   646.263  16160.62   1295.26  15269.30   745.716  171.948 6.9549  167.643 4.1069  4.304672       8.076974  
1 1 1 10  38  18 o 104.222 3.4159  5899.77    385.598  5087.71    660.346  6319.93    474.991  96.229  6.3718  107.803 4.0680  -11.57359      7.559649  
1 1 1 10  38  19 o 143.928 3.2846  11258.63   512.037  10797.66   1014.30  11416.29   593.168  140.168 6.6810  144.849 3.7809  -4.680130      7.676677  
1 1 1 10  38  20 o 103.499 2.9959  5823.04    335.835  6142.15    732.303  5738.06    377.919  105.391 6.4463  102.685 3.3980  2.706223       7.287015  
1 1 1 10  38  21 o 91.672  3.2007  4574.68    317.799  4419.34    657.146  4622.10    363.081  89.033  6.8677  92.076  3.6407  -3.043518      7.773038  
1 1 1 10  38  22 o 32.861  1.0706  585.194    38.104   -341.4097  417.879  592.963    38.263   18.476  8.5988  33.078  1.0680  -14.60200      8.664895  
1 1 1 10  38  23 o 65.305  3.5906  2338.18    252.993  2804.09    526.626  2198.40    288.460  70.397  6.9996  63.162  4.2411  7.234528       8.184257  
1 1 1 10  38  24 o 75.578  3.4168  3125.46    279.698  3757.83    571.185  2926.00    320.790  81.543  6.5219  72.858  4.0815  8.684319       7.693724  
1 1 1 10  38  25 o 91.665  3.3003  4603.45    327.665  5846.93    659.478  4195.85    377.566  101.802 6.0076  87.280  3.9940  14.52196       7.214141  
1 1 1 10  38  26 o 55.903  4.1775  1738.95    251.117  1534.04    501.832  1807.39    290.042  49.741  9.6630  56.776  4.7605  -7.034317      10.77201  
1 1 1 10  38  27 f 65.933  4.0763  2423.92    289.668  2334.01    543.218  2459.65    342.412  62.026  8.2936  66.046  4.8200  -4.019623      9.592517  
1 1 1 10  38  28 o 64.712  4.2157  2364.91    293.867  2128.75    552.097  2458.27    347.126  57.252  9.2161  65.496  4.9295  -8.243668      10.45165  
1 1 1 10  38  29 o 18.856  8.0529  96.698     291.054  0.0000     0.0000   96.698     291.054  ?       ?       18.856  8.0529  0.000000       8.052905  
1 1 1 10  38  30 o 59.939  8.3178  2399.40    525.441  0.0000     0.0000   2399.40    525.441  ?       ?       59.939  8.3178  0.000000       8.317818  
1 1 1 10  38  31 o 22.239  9.9620  204.910    495.001  0.0000     0.0000   204.910    495.001  ?       ?       22.239  9.9620  0.000000       9.962016  
1 1 1 10  38  32 o 25.084  10.532  499.335    483.863  0.0000     0.0000   499.335    483.863  ?       ?       25.084  10.532  0.000000       10.53201  
1 1 1 10  39  0  o 369.401 6.8652  74060.62   2746.77  73410.45   4240.13  74530.75   3605.59  367.209 10.661  370.282 8.9903  -3.072815      13.94566  
1 1 1 10  39  1  o 307.665 6.2878  51357.89   2095.31  53791.82   3637.01  50148.75   2563.46  314.319 10.683  303.871 7.7888  10.44824       13.22107  
1 1 1 10  39  2  o 161.904 5.8545  14219.21   1026.65  13074.31   1451.88  15364.16   1451.91  154.854 8.6916  168.178 7.9708  -13.32397      11.79309  
1 1 1 10  39  3  f 94.732  4.0566  4863.97    416.226  4751.32    586.170  4978.53    591.127  93.408  5.8229  95.631  5.7335  -2.223503      8.171836  
1 1 1 10  39  4  o 375.552 9.1273  76711.00   3712.62  74125.85   5250.70  79295.64   5250.19  368.313 13.162  381.052 12.721  -12.73947      18.30485  
1 1 1 10  39  5  o 189.055 5.2934  19385.58   1083.91  19474.52   1533.28  19296.74   1532.48  189.344 7.4765  188.475 7.5071  0.8685760      10.59500  
1 1 1 10  39  6  o 197.080 6.1508  21080.72   1312.93  21323.07   2174.85  20941.75   1646.89  197.569 10.198  196.302 7.7458  1.267258       12.80629  
1 1 1 10  39  7  o 340.441 5.8768  62900.53   2166.98  61589.23   4344.78  63334.73   2500.14  335.749 11.948  341.496 6.7594  -5.746765      13.72720  
1 1 1 10  39  8  o 388.673 6.7423  82057.11   2838.31  79947.28   5687.56  82756.79   3275.30  381.836 13.752  390.138 7.7511  -8.302826      15.78635  
1 1 1 10  39  9  o 140.825 3.2076  10747.66   489.246  11263.09   980.435  10576.75   564.560  144.014 6.2855  139.683 3.7316  4.331497       7.309779  
1 1 1 10  39  10 o 314.697 5.4653  53752.32   1862.84  55714.68   3738.25  53104.04   2148.62  319.354 10.808  312.672 6.3445  6.681427       12.53219  
1 1 1 10  39  11 o 72.784  2.7206  2870.61    214.477  2806.97    482.174  2886.30    239.472  71.609  6.2802  72.978  3.0297  -1.368729      6.972796  
1 1 1 10  39  12 o 255.124 4.6474  35315.34   1284.19  33562.46   2580.60  35892.29   1480.53  247.948 9.6093  257.125 5.3162  -9.177368      10.98182  
1 1 1 10  39  13 o 96.349  2.6500  5030.78    276.547  5809.02    613.231  4832.10    309.843  103.270 5.5024  94.417  3.0298  8.852669       6.281387  
1 1 1 10  39  14 o 52.131  3.1304  1478.64    175.933  800.699    390.833  1650.92    197.023  37.550  9.5790  55.080  3.3181  -17.53020      10.13737  
1 1 1 10  39  15 o 51.561  2.3611  1440.79    131.858  2105.95    405.553  1362.17    139.434  61.910  6.1286  50.065  2.5802  11.84502       6.649584  
1 1 1 10  39  16 o 141.431 3.2997  10851.38   505.461  10402.92   991.539  11008.83   587.534  138.114 6.6283  142.412 3.8090  -4.298294      7.644811  
1 1 1 10  39  17 o 163.230 3.4696  14464.81   613.406  13968.30   1226.29  14630.51   708.401  159.779 7.0860  164.097 3.9857  -4.318008      8.130061  
1 1 1 10  39  18 o 67.636  2.7579  2482.46    202.037  2606.23    443.509  2450.04    226.953  68.787  6.0133  67.175  3.1193  1.612213       6.774227  
1 1 1 10  39  19 o 129.973 3.1772  9180.63    447.275  9553.56    910.885  9062.15    513.435  131.888 6.3766  129.056 3.6732  2.832855       7.358846  
1 1 1 10  39  20 o 159.620 3.4983  13871.77   604.808  13586.64   1224.54  13963.76   695.569  156.617 7.2188  160.013 4.0134  -3.395889      8.259417  
1 1 1 10  39  21 o 87.295  3.0905  4147.38    292.205  5025.26    629.646  3906.42    329.879  95.214  6.1383  84.647  3.5981  10.56704       7.115114  
1 1 1 10  39  22 o 82.177  3.3123  3682.87    294.814  3711.09    604.227  3674.05    337.744  81.272  6.9304  81.988  3.8034  -0.7154541     7.905414  
1 1 1 10  39  23 o 65.581  2.4965  2340.04    177.327  2224.92    517.130  2355.38    188.773  62.253  7.8437  65.776  2.6497  -3.523121      8.279171  
1 1 1 10  39  24 o 49.126  2.4295  1313.98    129.271  1761.45    478.748  1278.80    134.258  54.829  8.3233  48.381  2.5713  6.447571       8.711409  
1 1 1 10  39  25 o 39.260  5.3754  875.378    222.571  996.679    456.057  837.454    255.000  39.851  10.441  38.022  6.4208  1.829563       12.25701  
1 1 1 10  39  26 o 32.568  6.5579  624.750    223.320  793.777    450.588  569.710    257.121  35.262  10.790  30.703  7.7354  4.558859       13.27644  
1 1 1 10  39  27 o 31.149  7.3525  591.315    244.072  925.227    455.442  456.782    289.089  37.301  10.710  27.286  8.6871  10.01443       13.79030  
1 1 1 10  39  28 o 25.882  1.3366  365.224    37.341   228.883    444.458  366.193    37.473   23.793  10.047  25.916  1.3396  -2.123045      10.13631  
1 1 1 10  39  29 o 18.180  7.9008  56.946     289.718  0.0000     0.0000   56.946     289.718  ?       ?       18.180  7.9008  0.000000       7.900799  
1 1 1 10  39  30 o 36.058  10.749  1024.21    451.390  0.0000     0.0000   1024.21    451.390  ?       ?       36.058  10.749  0.000000       10.74881  
1 1 1 10  39  31 o 21.118  9.6452  97.943     491.553  0.0000     0.0000   97.943     491.553  ?       ?       21.118  9.6452  0.000000       9.645242  
1 1 1 10  39  32 o 21.576  9.8414  168.756    509.569  0.0000     0.0000   168.756    509.569  ?       ?       21.576  9.8414  0.000000       9.841373  
1 1 1 10  40  0  o 156.156 3.2952  13212.53   557.321  12831.71   819.557  13540.13   760.135  153.840 4.9186  158.046 4.4405  -4.206619      6.626526  
1 1 1 10  40  1  o 366.616 8.3942  73039.27   3333.19  74138.52   7837.31  72796.53   3682.86  365.983 19.846  365.864 9.2939  0.1194763      21.91392  
1 1 1 10  40  2  o 357.351 8.7160  69419.13   3373.53  73376.67   4771.36  65463.16   4770.42  366.772 12.011  346.279 12.719  20.49261       17.49400  
1 1 1 10  40  3  o 161.137 4.8171  14078.39   840.716  13636.20   1187.83  14522.27   1190.08  158.486 6.9198  163.565 6.7176  -5.079712      9.644165  
1 1 1 10  40  4  o 359.681 10.044  70440.97   3912.78  64510.47   7029.01  73103.81   4710.00  341.307 19.091  366.022 11.881  -24.71460      22.48573  
1 1 1 10  40  5  o 330.604 8.1544  59415.69   2919.93  58927.46   4130.17  59903.55   4128.62  328.606 11.604  331.338 11.504  -2.732056      16.34052  
1 1 1 10  40  6  o 135.515 4.4256  9956.96    649.571  9173.36    918.380  10741.43   918.883  129.817 6.5528  140.680 6.0305  -10.86333      8.905411  
1 1 1 10  40  7  o 206.758 3.9732  23174.03   889.760  22587.19   1794.87  23365.23   1024.50  203.798 8.1314  207.577 4.5568  -3.778900      9.321177  
1 1 1 10  40  8  o 156.419 3.1568  13258.99   534.820  14179.44   1095.08  12970.67   612.884  161.598 6.2566  154.691 3.6580  6.906845       7.247502  
1 1 1 10  40  9  f 136.304 2.9815  10067.83   440.167  10882.71   912.381  9820.63    502.514  141.579 5.9499  134.606 3.4468  6.972748       6.876133  
1 1 1 10  40  10 o 107.364 2.7616  6246.13    321.131  7058.56    689.724  6021.28    362.861  114.030 5.5845  105.404 3.1784  8.626579       6.425660  
1 1 1 10  40  11 f 236.184 4.3923  30256.91   1123.60  28767.75   2261.30  30745.10   1294.74  229.706 9.0890  238.024 5.0222  -8.318039      10.38423  
1 1 1 10  40  12 o 118.764 2.9998  7644.79    385.874  7355.33    798.614  7732.96    440.737  116.156 6.3722  119.433 3.4071  -3.277542      7.225857  
1 1 1 10  40  13 o 23.641  4.7444  314.200    117.258  604.240    323.550  270.345    125.811  32.739  8.8936  21.878  5.3532  10.86149       10.38036  
1 1 1 10  40  14 o 177.509 3.5940  17089.33   690.995  17634.93   1395.76  16912.20   795.295  179.926 7.1622  176.543 4.1592  3.383438       8.282242  
1 1 1 10  40  15 o 181.487 3.6496  17869.80   717.395  16641.01   1444.93  18271.79   826.452  174.601 7.6407  183.467 4.1590  -8.866302      8.699243  
1 1 1 10  40  16 o 174.918 3.5266  16604.50   668.135  16592.29   1344.52  16608.50   769.927  174.290 7.1224  174.879 4.0648  -0.5888672     8.200671  
1 1 1 10  40  17 o 117.743 3.0482  7523.09    388.734  7105.35    770.974  7665.49    450.142  113.883 6.2746  118.814 3.4979  -4.930305      7.183777  
1 1 1 10  40  18 o 47.799  4.0146  1251.63    205.916  985.222    360.137  1381.03    250.990  41.547  8.2936  50.129  4.6767  -8.582268      9.521283  
1 1 1 10  40  19 o 65.835  3.3710  2363.21    239.572  2794.51    543.750  2259.31    266.870  70.818  7.1887  64.301  3.8496  6.516907       8.154512  
1 1 1 10  40  20 o 30.143  2.1386  495.561    69.368   1242.51    454.726  477.764    70.190   46.218  9.4039  29.588  2.2061  16.62980       9.659179  
1 1 1 10  40  21 o 38.807  5.1495  841.019    211.097  1151.69    456.202  756.375    238.124  44.199  9.7878  36.509  6.2465  7.690376       11.61113  
1 1 1 10  40  22 o 56.451  2.6629  1733.79    162.815  1672.59    508.573  1740.78    171.860  53.510  9.1009  56.550  2.8059  -3.039639      9.523597  
1 1 1 10  40  23 o 58.721  4.0416  1899.40    255.480  2206.96    504.406  1793.28    296.298  62.044  7.6693  56.834  4.8602  5.210831       9.079571  
1 1 1 10  40  24 o 23.572  7.5518  313.675    218.201  557.731    427.300  227.585    253.785  31.058  10.593  21.865  8.0879  9.192829       13.32778  
1 1 1 10  40  25 o 25.276  7.3845  375.979    214.839  603.550    441.562  305.400    245.907  31.721  10.769  23.526  8.0360  8.195656       13.43664  
1 1 1 10  40  26 o 31.116  7.1973  579.613    237.738  464.983    453.066  623.168    279.276  28.954  10.787  31.996  8.0621  -3.042257      13.46714  
1 1 1 10  40  27 o 39.782  6.0445  926.567    252.253  568.969    475.778  1066.39    297.511  30.237  11.093  42.388  6.7032  -12.15079      12.96068  
1 1 1 10  40  28 o 55.486  4.6630  1765.36    277.633  1724.06    522.135  1781.64    327.817  50.307  9.9352  55.106  5.5688  -4.799091      11.38947  
1 1 1 10  40  29 o 48.520  8.0067  1527.67    406.086  0.0000     0.0000   1527.67    406.086  ?       ?       48.520  8.0067  0.000000       8.006685  
1 1 1 10  40  30 o 21.751  9.6451  154.055    452.016  0.0000     0.0000   154.055    452.016  ?       ?       21.751  9.6451  0.000000       9.645123  
1 1 1 10  40  31 o 23.541  10.012  358.498    446.614  0.0000     0.0000   358.498    446.614  ?       ?       23.541  10.012  0.000000       10.01244  
1 1 1 10  40  32 o 25.393  10.590  519.676    484.322  0.0000     0.0000   519.676    484.322  ?       ?       25.393  10.590  0.000000       10.59024  
1 1 1 10  41  0  o 251.973 4.9936  34426.34   1362.81  33370.07   2080.42  35220.29   1803.67  247.860 7.7495  254.749 6.5369  -6.888916      10.13838  
1 1 1 10  41  1  o 397.170 8.0075  85704.92   3444.66  86140.17   5972.70  85488.00   4216.58  396.884 13.894  396.343 9.8224  0.5414734      17.01564  
1 1 1 10  41  2  o 156.605 4.7436  13297.07   804.604  13163.62   1134.36  13432.18   1141.44  155.725 6.7255  157.307 6.6993  -1.581924      9.492788  
1 1 1 10  41  3  o 340.669 8.3688  63086.16   3087.92  61348.10   4367.02  64824.15   4366.92  335.276 12.026  344.716 11.696  -9.439362      16.77556  
1 1 1 10  41  4  o 156.897 4.7507  13348.10   807.315  13647.51   1141.59  13048.55   1141.84  158.550 6.6477  155.023 6.8005  3.527206       9.509927  
1 1 1 10  41  5  o 327.843 8.0975  58432.52   2875.31  59619.88   4065.41  57244.12   4067.19  330.539 11.356  323.834 11.596  6.705139       16.23000  
1 1 1 10  41  6  o 329.379 8.1326  58994.26   2901.32  55124.35   4103.27  62863.46   4102.89  317.648 11.927  339.398 11.161  -21.75003      16.33446  
1 1 1 10  41  7  o 59.925  2.5692  1945.57    166.755  1843.83    390.985  1968.19    184.364  57.931  6.3345  60.270  2.8243  -2.338772      6.935612  
1 1 1 10  41  8  o 248.748 4.5844  33557.53   1235.14  32219.85   2485.02  33996.41   1423.41  243.169 9.4352  250.312 5.2502  -7.143723      10.79758  
1 1 1 10  41  9  o 299.787 5.2721  48769.63   1711.85  50535.36   3437.86  48187.50   1973.97  304.265 10.432  297.887 6.1181  6.377808       12.09369  
1 1 1 10  41  10 f 345.806 6.0757  64946.16   2275.60  58864.58   4561.80  66960.83   2625.61  327.587 12.857  350.982 6.9068  -23.39462      14.59473  
1 1 1 10  41  11 o 230.681 4.3470  28863.98   1086.10  25300.71   2186.75  30030.82   1251.35  215.349 9.3753  235.246 4.9112  -19.89703      10.58379  
1 1 1 10  41  12 o 278.768 5.0475  42185.00   1524.02  39330.94   3059.61  43126.80   1757.58  268.105 10.536  281.761 5.7592  -13.65622      12.00764  
1 1 1 10  41  13 o 102.885 2.7893  5737.10    310.823  6135.16    656.267  5621.99    352.915  106.103 5.7319  101.834 3.1997  4.268379       6.564492  
1 1 1 10  41  14 o 83.048  2.6394  3738.18    237.414  3152.91    406.460  4041.26    292.497  76.028  4.9632  86.334  3.1280  -10.30588      5.866685  
1 1 1 10  41  15 o 57.057  2.2208  1764.31    137.243  1920.69    415.864  1745.19    145.388  59.004  6.6215  56.745  2.3656  2.259567       7.031368  
1 1 1 10  41  16 o 108.784 2.9091  6418.48    342.767  5892.26    698.423  6585.44    393.402  103.761 6.2437  110.166 3.2970  -6.404709      7.060700  
1 1 1 10  41  17 o 66.011  3.0115  2364.78    215.313  2309.21    440.343  2382.24    246.833  64.690  6.3672  66.142  3.4575  -1.452057      7.245381  
1 1 1 10  41  18 f 109.575 3.4208  6525.31    405.988  6980.51    707.889  6302.20    495.596  112.812 5.8133  107.582 4.2532  5.229881       7.203058  
1 1 1 10  41  19 o 107.338 3.0691  6262.22    356.807  5567.49    766.452  6454.44    403.157  100.178 7.1100  108.925 3.4172  -8.746521      7.888594  
1 1 1 10  41  20 o 167.577 3.5793  15299.66   649.657  15276.27   1310.45  15307.29   748.053  165.890 7.2934  167.455 4.1244  -1.564774      8.378818  
1 1 1 10  41  21 o 79.056  3.3186  3405.43    284.161  3898.64    593.245  3258.58    323.712  83.592  6.6062  77.150  3.8864  6.442566       7.664594  
1 1 1 10  41  22 o 87.404  3.2596  4166.64    308.577  4066.77    632.217  4197.87    353.550  85.046  6.9235  87.636  3.7248  -2.589806      7.861864  
1 1 1 10  41  23 o 59.616  3.9089  1956.32    251.003  1272.56    510.267  2174.58    288.294  45.692  10.527  62.773  4.2656  -17.08049      11.35857  
1 1 1 10  41  24 o 28.566  1.9302  445.521    59.371   335.173    443.207  447.537    59.911   27.168  10.537  28.629  1.9436  -1.461607      10.71522  
1 1 1 10  41  25 o 59.280  4.0782  1948.41    260.252  2016.34    518.075  1925.48    300.985  58.191  8.4683  58.676  4.7775  -0.4850616     9.723006  
1 1 1 10  41  26 o 66.440  3.9244  2448.15    281.151  1918.99    550.084  2635.26    327.103  55.757  9.4459  68.728  4.4176  -12.97015      10.42790  
1 1 1 10  41  27 o 12.301  2.5190  85.832     32.432   153.625    440.520  85.463     32.520   23.360  9.9399  12.272  2.5306  11.08737       10.25697  
1 1 1 10  41  28 o 6.2482  2.7147  -4.8628    34.185   472.899    452.043  -7.6108    34.283   27.136  10.609  6.1395  2.6919  20.99611       10.94552  
1 1 1 10  41  29 o 25.951  9.7084  452.961    367.714  0.0000     0.0000   452.961    367.714  ?       ?       25.951  9.7084  0.000000       9.708409  
1 1 1 10  41  30 o 21.123  9.4803  105.463    450.609  0.0000     0.0000   105.463    450.609  ?       ?       21.123  9.4803  0.000000       9.480279  
1 1 1 10  41  31 o 28.300  10.924  693.950    474.523  0.0000     0.0000   693.950    474.523  ?       ?       28.300  10.924  0.000000       10.92385  
1 1 1 10  42  0  o 232.938 4.6067  29417.04   1162.25  28954.25   1643.95  29879.51   1643.38  230.967 6.5715  234.637 6.4665  -3.669662      9.219611  
1 1 1 10  42  1  o 110.226 2.8632  6582.58    341.825  5920.40    482.953  7247.29    483.876  104.507 4.2667  115.637 3.8634  -11.12963      5.755866  
1 1 1 10  42  2  o 170.962 4.9795  15849.69   922.059  15681.13   1301.34  16019.64   1306.66  169.935 7.0703  171.762 7.0237  -1.827454      9.965992  
1 1 1 10  42  3  o 328.064 9.5017  58580.51   3376.21  58667.93   6023.67  58540.47   4076.75  326.041 17.117  327.570 11.491  -1.528961      20.61651  
1 1 1 10  42  4  o 280.548 7.0913  42749.45   2154.77  43692.57   3048.26  41807.50   3046.36  283.226 9.9369  277.014 10.153  6.212128       14.20675  
1 1 1 10  42  5  o 312.322 7.7663  53019.56   2627.16  52720.27   3716.24  53318.57   3714.48  310.860 11.037  312.633 10.970  -1.773010      15.56144  
1 1 1 10  42  6  o 110.364 4.1463  6603.46    495.634  6704.72    701.718  6502.64    700.149  110.992 5.8579  109.295 5.9368  1.697571       8.340286  
1 1 1 10  42  7  o 157.795 3.1175  13493.09   532.800  14550.76   1229.23  13248.42   591.224  163.653 6.9349  156.345 3.4914  7.307816       7.764158  
1 1 1 10  42  8  o 380.281 6.4241  78543.72   2645.98  78978.28   5302.68  78399.65   3053.26  379.667 12.895  379.747 7.4233  -0.8081055E-01 14.87911  
1 1 1 10  42  9  o 131.797 3.0225  9413.47    431.462  8504.43    897.063  9687.05    492.123  124.932 6.6534  133.687 3.3987  -8.754303      7.471238  
1 1 1 10  42  10 o 93.230  2.8582  4710.11    288.618  3639.88    626.205  4998.77    325.221  81.506  7.1662  96.038  3.1265  -14.53169      7.818569  
1 1 1 10  42  11 o 137.773 3.0698  10287.82   458.083  10547.52   946.738  10208.43   523.435  139.320 6.2740  137.223 3.5218  2.097397       7.194902  
1 1 1 10  42  12 o 115.902 2.9692  7281.10    372.734  6838.77    775.658  7413.91    425.023  111.968 6.4228  116.941 3.3557  -4.972900      7.246602  
1 1 1 10  42  13 o 190.331 3.8764  19649.82   799.107  21424.13   1535.77  18991.09   935.760  198.355 7.1484  187.050 4.6189  11.30518       8.510834  
1 1 1 10  42  14 o 300.706 5.3089  49143.77   1729.10  49706.21   3468.73  48957.81   1994.58  300.812 10.646  299.957 6.1394  0.8551636      12.28980  
1 1 1 10  42  15 o 311.216 5.3490  52681.43   1803.04  56570.10   3616.82  51395.43   2079.92  320.554 10.417  307.149 6.2521  13.40552       12.14945  
1 1 1 10  42  16 o 253.105 4.5790  34833.34   1255.28  34636.95   2518.39  34898.26   1447.97  250.827 9.2700  253.172 5.2805  -2.344360      10.66845  
1 1 1 10  42  17 o 87.025  2.6987  4108.81    254.370  3605.27    552.334  4244.36    286.568  80.946  6.3509  88.431  2.9919  -7.484528      7.020358  
1 1 1 10  42  18 o 79.605  3.3936  3444.55    292.598  3081.54    503.603  3629.54    359.503  74.706  6.2822  81.649  4.0652  -6.943291      7.482769  
1 1 1 10  42  19 o 145.849 3.3487  11572.16   528.995  11744.01   1080.24  11517.95   606.721  145.889 6.8364  145.401 3.8526  0.4875946      7.847233  
1 1 1 10  42  20 o 32.691  6.2506  608.394    213.254  839.172    458.162  544.569    240.946  37.782  10.707  30.717  7.3420  7.065002       12.98233  
1 1 1 10  42  21 o 128.139 3.2551  8946.75    451.762  10271.60   924.360  8531.00    517.818  136.178 6.2671  124.981 3.8253  11.19689       7.342261  
1 1 1 10  42  22 o 55.263  2.5266  1661.17    151.229  1937.63    507.772  1634.26    158.418  57.947  8.3298  54.800  2.6690  3.147057       8.746958  
1 1 1 10  42  23 o 43.121  4.9181  1039.52    225.591  992.774    476.712  1053.00    256.079  40.214  10.741  43.207  5.6040  -2.993000      12.11544  
1 1 1 10  42  24 o 98.704  3.2737  5332.30    349.976  5171.14    701.216  5385.76    403.876  95.314  6.8378  99.029  3.7654  -3.714340      7.806061  
1 1 1 10  42  25 o 100.628 3.3155  5555.40    361.362  5938.06    717.551  5425.37    418.275  101.984 6.5304  99.202  3.8929  2.782166       7.602664  
1 1 1 10  42  26 o 25.821  7.5344  399.824    223.771  763.933    445.153  276.707    258.853  34.439  10.756  22.782  8.2085  11.65671       13.53036  
1 1 1 10  42  27 o 35.911  6.4650  771.606    242.208  382.286    464.128  917.312    283.938  26.767  10.661  38.937  6.9895  -12.17058      12.74778  
1 1 1 10  42  28 o 47.733  5.4856  1343.29    278.448  1130.56    503.896  1436.81    334.090  38.717  11.309  48.615  6.5082  -9.898495      13.04774  
1 1 1 10  42  29 f 33.011  9.8465  793.792    378.699  0.0000     0.0000   793.792    378.699  ?       ?       33.011  9.8465  0.000000       9.846488  
1 1 1 10  42  30 o 22.514  9.8315  230.834    453.215  0.0000     0.0000   230.834    453.215  ?       ?       22.514  9.8315  0.000000       9.831467  
1 1 1 10  42  31 o 25.295  10.471  492.303    468.437  0.0000     0.0000   492.303    468.437  ?       ?       25.295  10.471  0.000000       10.47098  
1 1 1 10  43  0  o 380.337 6.4317  78515.19   2649.52  78889.58   3747.43  78140.98   3746.54  380.818 9.0854  378.999 9.1269  1.818909       12.87808  
1 1 1 10  43  1  o 381.145 6.3590  78847.80   2625.13  79864.79   3712.91  77831.26   3712.09  383.178 8.9463  378.246 9.0609  4.931152       12.73331  
1 1 1 10  43  2  o 226.926 6.0144  27944.64   1478.24  28011.77   2089.16  27877.34   2091.96  226.967 8.4984  226.419 8.5304  0.5487213      12.04121  
1 1 1 10  43  3  f 281.902 7.1149  43163.56   2172.38  40489.80   3071.46  45839.94   3072.96  272.576 10.404  290.132 9.7789  -17.55585      14.27811  
1 1 1 10  43  4  o 394.429 11.480  84919.24   4904.37  92011.53   8888.33  81814.77   5880.58  407.250 20.151  386.396 14.051  20.85480       24.56599  
1 1 1 10  43  5  o 104.437 3.9989  5912.67    452.339  6425.76    618.753  5323.69    662.939  108.835 5.2490  98.834  6.2247  10.00066       8.142465  
1 1 1 10  43  6  o 205.606 5.5985  22940.41   1246.74  23587.10   1764.63  22295.88   1761.68  208.281 7.8223  202.477 8.0330  5.803177       11.21241  
1 1 1 10  43  7  o 355.029 5.6567  68410.02   2175.19  78016.97   4364.62  65235.45   2508.98  378.084 10.658  346.543 6.6845  31.54126       12.58102  
1 1 1 10  43  8  o 280.533 5.3405  42707.38   1622.69  46685.63   4380.34  42074.59   1746.98  291.589 13.870  278.396 5.7937  13.19275       15.03113  
1 1 1 10  43  9  o 371.512 6.3015  74972.39   2535.65  75464.43   5084.00  74809.46   2925.49  371.032 12.651  370.920 7.2820  0.1121216      14.59705  
1 1 1 10  43  10 o 440.927 8.0841  105850.90  3860.71  89449.15   10914.62 108196.50  4127.55  395.203 25.637  445.644 8.5513  -50.44128      27.02569  
1 1 1 10  43  11 o 87.497  2.7484  4148.82    260.466  3827.91    571.755  4232.86    292.590  83.683  6.3557  88.372  3.0569  -4.689186      7.052580  
1 1 1 10  43  12 o 116.979 2.9453  7417.04    373.171  7238.36    778.705  7470.31    425.172  115.217 6.2636  117.383 3.3442  -2.166451      7.100394  
1 1 1 10  43  13 o 166.027 3.4559  14947.92   621.454  15479.62   1264.35  14778.54   713.603  168.612 6.9233  165.046 3.9919  3.565735       7.991676  
1 1 1 10  43  14 o 144.240 3.3196  11283.61   518.620  10552.87   1028.96  11532.47   600.469  139.164 6.8266  145.789 3.8027  -6.625244      7.814295  
1 1 1 10  43  15 o 176.870 3.5889  16976.82   687.523  17059.55   1390.55  16950.05   790.966  176.728 7.2646  176.670 4.1336  0.5842590E-01  8.358251  
1 1 1 10  43  16 o 76.116  2.8240  3142.77    232.813  3499.73    495.348  3041.56    263.760  79.911  5.7618  74.860  3.2530  5.050377       6.616709  
1 1 1 10  43  17 o 67.670  2.9802  2485.71    218.428  2033.53    445.878  2628.50    250.552  60.515  6.9275  69.566  3.3253  -9.050961      7.684258  
1 1 1 10  43  18 o 21.554  6.9895  248.211    186.488  236.923    417.501  251.025    208.437  25.980  10.185  22.003  7.3991  3.976954       12.58913  
1 1 1 10  43  19 o 115.673 3.0792  7275.05    385.783  7274.04    821.056  7275.34    437.029  114.654 6.6401  115.610 3.4902  -0.9556885     7.501495  
1 1 1 10  43  20 f 23.072  7.0042  297.554    190.386  -388.7443  439.449  456.134    211.240  18.757  8.7589  28.140  6.9676  -9.383644      11.19222  
1 1 1 10  43  21 o 114.584 3.2117  7154.75    398.590  6764.08    816.337  7277.04    456.734  109.992 6.8870  115.454 3.6525  -5.461548      7.795612  
1 1 1 10  43  22 o 97.263  3.2030  5160.33    337.422  5569.50    694.825  5034.05    385.992  99.756  6.4656  95.947  3.7143  3.809593       7.456574  
1 1 1 10  43  23 o 91.073  2.9216  4524.48    288.191  4282.42    661.719  4581.14    320.148  86.828  7.0984  91.569  3.2280  -4.740486      7.797861  
1 1 1 10  43  24 o 49.864  1.9880  1351.94    107.369  955.427    478.289  1372.98    110.181  39.023  10.898  50.247  2.0246  -11.22340      11.08434  
1 1 1 10  43  25 o 20.859  7.4697  223.745    214.047  -50.2380   437.537  309.947    245.420  21.445  9.5004  23.584  8.0282  -2.139446      12.43824  
1 1 1 10  43  26 o 46.225  5.2351  1216.89    257.483  1122.58    485.008  1253.89    303.835  41.412  10.727  46.496  6.1869  -5.083805      12.38338  
1 1 1 10  43  27 o 32.596  2.5193  586.111    88.255   1066.50    474.248  568.877    89.824   39.195  10.817  32.090  2.6069  7.105022       11.12711  
1 1 1 10  43  28 o 29.584  2.6565  486.471    84.214   0.0000     0.0000   486.471    84.214   ?       ?       29.584  2.6565  0.000000       2.656518  
1 1 1 10  43  29 o 42.663  8.7672  1238.44    391.572  0.0000     0.0000   1238.44    391.572  ?       ?       42.663  8.7672  0.000000       8.767178  
1 1 1 10  43  30 o 16.340  7.6455  -154.7274  337.556  0.0000     0.0000   -154.7274  337.556  ?       ?       16.340  7.6455  0.000000       7.645526  
1 1 1 10  43  31 o 16.661  8.1640  -534.7598  498.543  0.0000     0.0000   -534.7598  498.543  ?       ?       16.661  8.1640  0.000000       8.163987  
1 1 1 10  44  0  o 64.700  2.7123  2267.96    190.068  2139.14    270.401  2393.76    267.222  62.693  4.0030  66.353  3.7334  -3.659939      5.473824  
1 1 1 10  44  1  o 271.951 4.8944  40106.68   1441.66  38555.94   2038.74  41657.63   2038.89  266.443 7.0646  276.983 6.7963  -10.53940      9.802938  
1 1 1 10  44  2  o 492.751 10.337  132312.70  5516.61  134225.00  8597.56  130974.30  7192.46  494.132 16.064  489.153 13.576  4.979553       21.03240  
1 1 1 10  44  3  o 332.018 8.1884  59937.98   2944.64  58452.91   4164.51  61422.84   4164.20  327.187 11.752  335.463 11.461  -8.276215      16.41499  
1 1 1 10  44  4  o 197.627 5.4569  21190.09   1168.04  21653.78   1652.43  20727.03   1651.29  199.601 7.6435  195.267 7.8077  4.333328       10.92626  
1 1 1 10  44  5  o 189.512 5.3069  19485.02   1089.31  19858.44   1541.31  19112.37   1539.72  191.152 7.4446  187.515 7.5812  3.637451       10.62525  
1 1 1 10  44  6  o 159.076 4.7886  13725.16   825.061  13950.16   1167.99  13501.06   1165.64  160.255 6.7291  157.647 6.8266  2.607651       9.585621  
1 1 1 10  44  7  o 249.102 4.8693  33660.09   1313.76  27782.60   3481.21  34636.18   1418.67  224.432 14.397  252.660 5.1841  -28.22769      15.30193  
1 1 1 10  44  8  o 206.490 3.7992  23115.35   849.698  23847.94   1716.57  22877.60   977.906  209.406 7.5684  205.388 4.3959  4.017563       8.752417  
1 1 1 10  44  9  o 148.530 2.9597  11955.41   476.137  15457.50   990.778  10903.74   542.942  168.754 5.4207  141.826 3.5345  26.92751       6.471186  
1 1 1 10  44  10 o 397.518 6.6876  85900.30   2879.38  90064.00   5771.37  84520.48   3322.40  404.850 13.162  394.049 7.7845  10.80142       15.29154  
1 1 1 10  44  11 o 381.194 7.0962  79064.39   2929.84  77830.98   8193.00  79245.25   3137.30  371.388 20.447  381.500 7.5926  -10.11234      21.81081  
1 1 1 10  44  12 o 384.758 6.6582  80535.10   2774.70  75946.04   5559.26  82057.56   3202.05  370.860 13.840  388.107 7.6174  -17.24710      15.79781  
1 1 1 10  44  13 o 141.232 3.1796  10815.05   486.381  9631.30    996.654  11185.10   557.242  132.798 6.9534  143.604 3.5827  -10.80687      7.822105  
1 1 1 10  44  14 o 157.895 3.3306  13522.40   569.590  15037.04   1161.50  13042.83   653.573  166.147 6.4544  155.025 3.8924  11.12114       7.537274  
1 1 1 10  44  15 o 63.175  2.2565  2163.30    154.404  2925.58    435.578  2053.74    165.127  73.098  5.5428  61.549  2.4770  11.54934       6.071123  
1 1 1 10  44  16 o 91.884  2.7745  4579.94    276.114  4139.76    582.500  4707.50    313.582  86.839  6.2347  93.134  3.1086  -6.295486      6.966689  
1 1 1 10  44  17 o 109.385 2.8742  6494.97    340.521  6267.83    707.804  6563.38    388.426  106.840 6.1425  109.923 3.2625  -3.083267      6.955114  
1 1 1 10  44  18 o 91.962  3.0813  4595.70    306.916  5392.18    632.402  4350.30    351.027  98.986  5.9258  89.415  3.6246  9.571648       6.946452  
1 1 1 10  44  19 o 20.551  6.7583  224.128    174.123  15.168     438.515  263.241    189.720  23.087  9.8728  22.018  7.0404  1.068708       12.12599  
1 1 1 10  44  20 o 129.923 3.2213  9190.49    453.299  10204.61   935.238  8879.10    518.241  135.860 6.3557  127.583 3.7503  8.277298       7.379663  
1 1 1 10  44  21 o 135.235 3.2646  9970.34    478.174  11076.89   983.329  9627.63    547.233  141.200 6.4297  132.732 3.8065  8.467896       7.472000  
1 1 1 10  44  22 o 104.085 3.0043  5905.56    338.695  5219.00    744.522  6084.72    380.328  96.131  7.2030  105.574 3.3261  -9.443436      7.933831  
1 1 1 10  44  23 o 66.112  3.6921  2402.59    263.324  2810.98    546.831  2279.31    300.454  70.092  7.3106  64.204  4.3462  5.887314       8.504974  
1 1 1 10  44  24 o 68.580  3.7572  2592.07    278.020  2523.52    558.899  2614.61    320.485  65.698  8.0209  68.684  4.3302  -2.985695      9.115133  
1 1 1 10  44  25 o 59.048  4.2511  1939.15    270.059  1065.83    523.083  2256.52    315.336  40.505  11.427  63.576  4.6107  -23.07128      12.32204  
1 1 1 10  44  26 o 20.912  7.5454  229.483    218.825  -96.0737   443.282  334.380    251.621  20.766  9.3543  24.049  8.1293  -3.283155      12.39303  
1 1 1 10  44  27 o 37.442  6.1326  835.977    240.087  783.912    475.423  853.799    278.161  33.305  11.175  37.264  7.1519  -3.958824      13.26735  
1 1 1 10  44  28 o 16.475  7.3597  -29.7648   268.194  0.0000     0.0000   -29.7648   268.194  ?       ?       16.475  7.3597  0.000000       7.359688  
1 1 1 10  44  29 o 21.337  9.0188  195.271    358.654  0.0000     0.0000   195.271    358.654  ?       ?       21.337  9.0188  0.000000       9.018771  
1 1 1 10  44  30 o 16.376  7.7253  -196.0999  357.216  0.0000     0.0000   -196.0999  357.216  ?       ?       16.376  7.7253  0.000000       7.725319  
1 1 1 10  44  31 o 27.393  10.773  631.716    468.426  0.0000     0.0000   631.716    468.426  ?       ?       27.393  10.773  0.000000       10.77303  
1 1 1 10  45  0  o 483.243 9.0069  127064.50  4714.23  124047.60  6169.04  131299.00  7308.77  476.618 11.950  489.683 13.780  -13.06546      18.24023  
1 1 1 10  45  1  o 194.804 4.0294  20570.77   850.170  20290.69   1278.84  20792.59   1138.07  193.353 6.1066  195.779 5.3670  -2.425644      8.129891  
1 1 1 10  45  2  o 173.451 4.3956  16311.55   825.773  14761.96   1438.32  17073.46   1008.55  164.781 8.0590  177.411 5.2486  -12.63063      9.617428  
1 1 1 10  45  3  o 447.183 12.144  109284.60  5881.83  95252.81   10717.31 115332.70  7036.15  411.388 24.159  458.643 14.164  -47.25500      28.00477  
1 1 1 10  45  4  o 32.520  1.4708  572.795    51.804   581.899    52.591   275.481    300.541  32.777  1.4814  24.593  8.8465  8.184467       8.969649  
1 1 1 10  45  5  o 130.861 4.5672  9286.67    647.340  9348.79    956.570  9234.18    879.262  131.018 6.7640  130.414 6.2248  0.6034851      9.192331  
1 1 1 10  45  6  o 187.439 5.2774  19062.78   1071.40  18742.09   1516.22  19382.60   1514.16  185.672 7.5396  188.831 7.4034  -3.159164      10.56669  
1 1 1 10  45  7  o 145.343 3.0848  11447.88   485.609  12199.58   996.052  11213.50   556.187  149.888 6.1354  143.831 3.5703  6.056915       7.098617  
1 1 1 10  45  8  o 116.570 2.7047  7362.97    341.485  7363.52    714.302  7362.81    388.793  116.466 5.6626  116.559 3.0797  -0.9341431E-01 6.445847  
1 1 1 10  45  9  o 210.704 4.0350  24074.52   920.838  22895.23   1862.65  24455.97   1059.34  205.033 8.3876  212.325 4.6064  -7.292007      9.569283  
1 1 1 10  45  10 o 139.084 3.1855  10485.27   479.867  9665.45    992.948  10735.08   548.127  133.139 6.9095  140.714 3.5965  -7.574631      7.789469  
1 1 1 10  45  11 o 16.309  1.3545  145.066    23.710   564.483    335.156  142.957    23.770   31.824  9.2021  16.188  1.3685  15.63581       9.303328  
1 1 1 10  45  12 o 135.385 3.1401  9936.64    460.449  10220.17   952.252  9850.12    526.032  137.074 6.4140  134.772 3.6037  2.301910       7.357009  
1 1 1 10  45  13 o 218.736 4.1551  25966.77   984.408  25426.85   1984.45  26142.99   1133.73  215.714 8.4936  219.402 4.7709  -3.688416      9.741827  
1 1 1 10  45  14 o 170.057 3.4622  15689.52   637.710  16168.04   1294.02  15536.03   732.886  172.165 6.9395  169.172 3.9998  2.992905       8.009645  
1 1 1 10  45  15 o 61.739  2.8502  2067.36    190.593  2199.76    425.830  2034.19    213.133  63.192  6.3058  61.144  3.2298  2.048317       7.084861  
1 1 1 10  45  16 o 91.436  2.8179  4536.16    279.065  4668.21    584.605  4497.19    317.585  92.284  5.8794  91.016  3.2216  1.268173       6.704206  
1 1 1 10  45  17 f 70.386  2.8986  2689.82    220.978  2613.45    460.595  2712.65    251.856  68.787  6.2504  70.658  3.2909  -1.870674      7.063806  
1 1 1 10  45  18 o 123.478 4.5785  8322.77    612.319  7922.61    863.524  8727.45    868.396  119.761 6.6838  125.817 6.3935  -6.056335      9.249310  
1 1 1 10  45  19 o 173.096 3.5272  16317.95   661.275  17270.20   1348.32  16016.35   758.802  176.592 7.0494  171.323 4.0892  5.269577       8.149561  
1 1 1 10  45  20 o 48.938  4.0085  1316.67    210.609  1269.01    488.109  1327.57    233.459  46.376  10.011  49.058  4.4418  -2.682465      10.95203  
1 1 1 10  45  21 o 65.966  3.4562  2380.91    246.080  3426.49    547.016  2115.62    275.534  78.239  6.5143  62.033  4.1244  16.20584       7.710220  
1 1 1 10  45  22 o 22.517  7.1322  282.682    195.053  -84.6044   534.000  339.230    209.531  23.765  10.514  24.374  7.3364  -0.6080723     12.82028  
1 1 1 10  45  23 o 78.296  2.7972  3343.57    237.211  2687.92    597.573  3466.21    258.446  67.944  8.2923  79.677  2.9948  -11.73360      8.816552  
1 1 1 10  45  24 o 26.369  7.4941  410.897    224.126  945.272    451.978  236.651    258.093  38.816  10.498  22.059  8.1569  16.75724       13.29433  
1 1 1 10  45  25 o 60.545  4.0118  2033.24    261.593  1450.21    538.069  2213.70    299.352  47.749  10.672  63.033  4.4126  -15.28369      11.54865  
1 1 1 10  45  26 o 24.467  7.7528  357.261    230.455  496.034    550.144  327.727    253.796  29.769  11.685  23.835  8.1638  5.933182       14.25462  
1 1 1 10  45  27 o 18.934  7.4365  161.526    222.920  17.911     451.021  207.951    256.431  21.411  9.5558  20.589  8.0071  0.8221169      12.46704  
1 1 1 10  45  28 o 13.984  6.8550  -552.0218  352.568  0.0000     0.0000   -552.0218  352.568  ?       ?       13.984  6.8550  0.000000       6.855005  
1 1 1 10  45  29 o 52.738  7.4006  1781.61    411.086  0.0000     0.0000   1781.61    411.086  ?       ?       52.738  7.4006  0.000000       7.400565  
1 1 1 10  45  30 o 23.009  9.3999  331.392    371.133  0.0000     0.0000   331.392    371.133  ?       ?       23.009  9.3999  0.000000       9.399854  
1 1 1 10  45  31 o 20.787  9.4013  120.199    452.987  0.0000     0.0000   120.199    452.987  ?       ?       20.787  9.4013  0.000000       9.401294  
1 1 1 10  46  0  o 326.238 5.7330  57752.15   2025.76  58299.79   2865.39  57204.93   2864.31  327.462 8.0789  324.361 8.1531  3.101135       11.47787  
1 1 1 10  46  1  o 276.014 5.3133  41328.67   1588.41  40922.81   2432.31  41630.46   2097.42  274.331 8.1860  276.845 6.9948  -2.514099      10.76748  
1 1 1 10  46  2  o 134.414 3.2651  9790.84    475.353  9861.38    835.840  9757.11    577.911  134.805 5.7246  134.161 3.9771  0.6439362      6.970537  
1 1 1 10  46  3  o 240.588 4.2814  31382.93   1115.66  34811.71   1945.07  29701.75   1361.98  253.134 7.0944  233.977 5.3744  19.15698       8.900215  
1 1 1 10  46  4  o 123.253 4.2956  8236.75    573.450  8690.46    811.561  7784.34    810.401  126.533 5.9217  119.575 6.2793  6.958633       8.631141  
1 1 1 10  46  5  o 42.453  5.3069  993.070    238.689  1487.85    336.645  492.890    338.477  51.997  6.0930  30.175  9.3717  21.82290       11.17830  
1 1 1 10  46  6  o 153.901 4.7178  12847.03   786.410  13207.77   1113.66  12488.24   1110.65  155.931 6.5940  151.612 6.7635  4.318909       9.445972  
1 1 1 10  46  7  o 367.432 6.0571  73309.80   2410.52  76001.69   4833.65  72418.73   2781.01  372.664 11.975  365.021 7.0342  7.642639       13.88843  
1 1 1 10  46  8  o 108.115 2.7598  6333.83    323.171  5804.65    647.760  6509.20    372.894  103.232 5.8170  109.592 3.1415  -6.359299      6.611111  
1 1 1 10  46  9  o 83.833  2.5295  3808.02    229.679  5348.90    532.742  3456.24    254.551  99.281  4.9543  79.859  2.9429  19.42222       5.762425  
1 1 1 10  46  10 o 197.222 3.7650  21091.89   804.258  22711.21   1632.54  20572.95   924.187  204.277 7.3786  194.736 4.3817  9.540634       8.581584  
1 1 1 10  46  11 o 95.036  2.6776  4894.69    275.619  5565.46    604.912  4718.95    309.626  101.069 5.5471  93.304  3.0639  7.765305       6.337003  
1 1 1 10  46  12 o 278.975 4.9164  42263.36   1485.55  43621.52   2986.11  41816.67   1712.50  282.282 9.7668  277.365 5.7004  4.916626       11.30865  
1 1 1 10  46  13 o 151.436 3.2392  12436.65   531.297  13580.64   1093.92  12083.49   607.798  157.931 6.3951  149.235 3.7603  8.696503       7.418665  
1 1 1 10  46  14 o 80.868  2.7870  3545.99    244.113  3335.61    528.212  3603.13    275.274  77.983  6.3078  81.504  3.1183  -3.521866      7.036445  
1 1 1 10  46  15 o 100.656 2.8295  5495.71    308.475  6467.11    647.649  5210.67    350.825  108.807 5.5136  97.982  3.3058  10.82492       6.428652  
1 1 1 10  46  16 o 146.473 3.1942  11648.81   506.748  11657.45   1032.87  11646.07   581.552  145.928 6.5348  146.396 3.6677  -0.4675751     7.493707  
1 1 1 10  46  17 o 35.538  4.1562  696.990    156.956  529.074    422.856  723.821    169.031  31.480  10.539  36.184  4.4038  -4.703733      11.42199  
1 1 1 10  46  18 o 73.890  5.1430  3001.80    409.031  2569.97    607.265  3360.42    553.395  67.441  8.5025  77.829  6.6280  -10.38782      10.78063  
1 1 1 10  46  19 o ?       ?       -140.8246  27.243   101.059    407.647  -141.9097  27.304   23.485  9.7486  ?       ?       0.000000       9.748571  
1 1 1 10  46  20 o 116.736 3.1200  7420.14    394.491  8093.23    826.440  7221.52    448.938  120.741 6.3418  115.060 3.6024  5.681343       7.293513  
1 1 1 10  46  21 o 117.806 3.1107  7563.51    396.914  7235.14    839.258  7658.12    450.477  113.660 6.8494  118.438 3.5117  -4.777267      7.697117  
1 1 1 10  46  22 o 66.818  3.4679  2446.98    250.112  2772.52    550.570  2362.33    280.753  69.730  7.4031  65.526  3.9746  4.203728       8.402618  
1 1 1 10  46  23 o 35.942  5.9881  740.457    224.911  1158.95    468.144  614.876    256.445  43.451  10.134  32.259  7.4844  11.19191       12.59787  
1 1 1 10  46  24 o 29.537  6.8188  515.106    213.730  503.162    463.229  518.336    240.906  30.036  10.956  29.470  7.5220  0.5659256      13.29004  
1 1 1 10  46  25 o 63.335  3.9128  2223.18    267.099  2325.62    553.697  2192.12    304.922  62.338  8.4158  62.650  4.5241  -0.3116760     9.554698  
1 1 1 10  46  26 o 40.629  5.5250  954.460    236.827  751.880    490.164  1016.15    270.495  33.541  11.346  41.622  6.1885  -8.080769      12.92408  
1 1 1 10  46  27 o 15.705  6.9502  -21.2450   233.570  -82.6118   444.678  2.1366     274.483  20.132  9.1869  17.238  7.5859  2.894140       11.91406  
1 1 1 10  46  28 o 27.924  9.2363  534.388    325.044  0.0000     0.0000   534.388    325.044  ?       ?       27.924  9.2363  0.000000       9.236345  
1 1 1 10  46  29 o 17.699  8.0317  -36.8307   333.914  0.0000     0.0000   -36.8307   333.914  ?       ?       17.699  8.0317  0.000000       8.031657  
1 1 1 10  46  30 o 44.770  9.4927  1469.86    446.029  0.0000     0.0000   1469.86    446.029  ?       ?       44.770  9.4927  0.000000       9.492676  
1 1 1 10  46  31 o 19.878  9.0932  43.921     439.132  0.0000     0.0000   43.921     439.132  ?       ?       19.878  9.0932  0.000000       9.093217  
1 1 1 10  47  0  o 181.647 3.6564  17883.68   719.367  17121.74   1017.74  18644.43   1016.94  177.655 5.2892  185.400 5.0643  -7.744797      7.322712  
1 1 1 10  47  1  o 361.666 6.0614  70999.20   2374.39  72276.86   3358.50  69722.45   3357.29  364.501 8.5070  357.973 8.6590  6.528046       12.13869  
1 1 1 10  47  2  o 268.489 5.1369  39104.13   1493.83  37126.58   2283.47  40583.65   1975.11  261.291 8.0686  273.364 6.6708  -12.07291      10.46915  
1 1 1 10  47  3  o 280.565 5.3987  42710.07   1640.57  46160.25   2852.09  41004.00   2005.58  291.180 9.0434  274.759 6.7394  16.42059       11.27840  
1 1 1 10  47  4  f 162.728 3.2268  14350.41   568.720  17497.53   1005.62  12870.52   689.591  179.590 5.1699  154.074 4.1323  25.51520       6.618441  
1 1 1 10  47  5  o 344.613 6.0458  64476.31   2256.61  69999.93   3919.23  61736.98   2760.02  358.262 10.100  336.973 7.5622  21.28922       12.61747  
1 1 1 10  47  6  o 448.472 7.5107  109362.60  3648.25  120222.30  6329.18  103959.00  4464.57  468.552 12.472  436.742 9.4381  31.81033       15.64021  
1 1 1 10  47  7  o 153.707 2.9973  12803.25   498.999  14570.45   1025.32  12254.77   571.210  163.823 5.7785  150.360 3.5075  13.46263       6.759697  
1 1 1 10  47  8  o 217.568 3.9880  25667.48   939.758  27047.85   1897.12  25218.62   1081.81  222.934 7.8568  215.609 4.6325  7.324295       9.120854  
1 1 1 10  47  9  o 141.777 2.9688  10893.85   455.893  11113.82   943.407  10826.83   520.730  143.025 6.0900  141.323 3.4020  1.702606       6.975755  
1 1 1 10  47  10 o 278.524 5.4143  42128.25   1633.35  39596.00   3064.05  43133.46   1930.51  268.991 10.517  281.685 6.3276  -12.69385      12.27372  
1 1 1 10  47  11 o 451.100 7.5569  110853.40  3692.22  115909.20  7396.08  109175.20  4261.18  457.383 14.930  447.206 8.7974  10.17752       17.32887  
1 1 1 10  47  12 o 308.837 5.4876  51839.83   1835.62  50715.35   3684.38  52211.11   2117.07  303.744 11.199  309.761 6.3101  -6.017029      12.85454  
1 1 1 10  47  13 f 114.177 2.9276  7068.43    362.044  7476.23    760.526  6948.93    411.685  117.044 6.0196  113.186 3.3582  3.857979       6.892941  
1 1 1 10  47  14 o 141.733 3.2397  10898.56   497.333  11472.02   992.151  10706.11   574.757  145.048 6.3153  140.431 3.7788  4.617645       7.359504  
1 1 1 10  47  15 o 155.770 3.3798  13173.00   570.216  12110.54   1159.53  13511.90   654.872  148.706 7.1992  157.705 3.8339  -8.999283      8.156446  
1 1 1 10  47  16 o 93.265  2.8002  4720.73    282.863  5138.96    593.468  4597.79    321.762  96.823  5.6840  92.010  3.2287  4.813202       6.537023  
1 1 1 10  47  17 f 112.542 2.9456  6879.66    359.057  7025.69    780.861  6840.51    404.339  112.928 6.4106  112.175 3.3280  0.7528076      7.222946  
1 1 1 10  47  18 o 99.005  4.5245  5353.49    485.176  4985.58    683.362  5727.45    688.959  94.844  6.6953  101.824 6.2777  -6.979286      9.178001  
1 1 1 10  47  19 o 40.652  4.0485  910.767    175.885  424.699    427.997  1009.53    192.929  29.258  10.553  42.790  4.2177  -13.53187      11.36468  
1 1 1 10  47  20 o 45.914  2.0915  1144.56    104.008  1582.78    486.802  1123.60    106.467  52.222  8.9273  45.487  2.1610  6.734447       9.185117  
1 1 1 10  47  21 o 113.818 3.0611  7060.19    377.359  7382.50    802.265  6968.63    427.616  114.969 6.4690  112.969 3.4948  1.999344       7.352645  
1 1 1 10  47  22 o 26.085  1.2114  368.922    34.226   -493.5059  443.843  374.081    34.328   17.803  8.4612  26.267  1.2066  -8.463923      8.546758  
1 1 1 10  47  23 o 81.014  2.9152  3583.51    255.802  3162.13    624.190  3668.56    280.432  73.862  7.9262  81.911  3.1609  -8.049210      8.533270  
1 1 1 10  47  24 o 20.999  7.3143  233.756    204.119  -33.7597   452.830  301.973    228.668  22.049  9.7215  23.225  7.7501  -1.176132      12.43266  
1 1 1 10  47  25 o 22.189  7.4665  276.241    212.257  349.309    454.922  255.908    239.980  26.995  10.617  22.030  7.9072  4.964640       13.23766  
1 1 1 10  47  26 f 65.372  4.1272  2394.72    290.730  2056.93    563.069  2517.50    339.484  56.726  9.5005  66.687  4.7308  -9.961571      10.61323  
1 1 1 10  47  27 o 45.684  5.9598  1243.45    287.870  0.0000     0.0000   1243.45    287.870  ?       ?       45.684  5.9598  0.000000       5.959828  
1 1 1 10  47  28 o 25.096  9.1053  409.980    319.299  0.0000     0.0000   409.980    319.299  ?       ?       25.096  9.1053  0.000000       9.105289  
1 1 1 10  47  29 o 19.073  8.3685  78.382     331.867  0.0000     0.0000   78.382     331.867  ?       ?       19.073  8.3685  0.000000       8.368516  
1 1 1 10  47  30 o 19.893  8.7076  135.815    357.400  0.0000     0.0000   135.815    357.400  ?       ?       19.893  8.7076  0.000000       8.707588  
1 1 1 10  48  0  o 55.288  1.8707  1655.78    112.025  1803.49    131.877  1272.92    212.317  57.700  2.1102  48.283  4.0987  9.417118       4.610008  
1 1 1 10  48  1  o 159.827 3.4358  13844.35   594.776  13649.28   841.716  14038.89   840.566  158.635 4.8989  160.887 4.8237  -2.251938      6.875093  
1 1 1 10  48  2  o 350.546 6.0745  66707.47   2306.36  66649.88   3261.75  66765.05   3261.62  349.973 8.6049  350.276 8.5971  -0.3038025     12.16366  
1 1 1 10  48  3  o 270.266 4.7715  39617.07   1396.73  42589.55   2430.57  38151.53   1706.67  279.836 8.0193  265.110 5.9436  14.72614       9.981776  
1 1 1 10  48  4  o 193.390 4.0130  20276.20   840.567  21481.95   1470.34  19690.82   1024.49  198.849 6.8269  190.522 4.9647  8.327225       8.441241  
1 1 1 10  48  5  o 21.400  4.6499  258.062    104.697  67.550     297.094  285.077    111.874  20.347  8.3724  22.504  4.7397  -2.156507      9.620927  
1 1 1 10  48  6  o 44.632  3.3321  1085.64    159.913  1336.84    347.107  1017.96    180.173  49.155  6.6937  43.156  3.8966  5.999237       7.745230  
1 1 1 10  48  7  o 173.363 3.2447  16289.50   609.261  19916.92   1244.28  15145.53   698.759  191.507 5.9988  167.136 3.8600  24.37064       7.133358  
1 1 1 10  48  8  o 249.494 4.3543  33763.32   1176.66  35569.71   2369.92  33172.35   1355.55  255.504 8.5638  247.232 5.0622  8.271942       9.948076  
1 1 1 10  48  9  o 263.801 4.7537  37764.55   1358.25  39138.05   2731.36  37313.32   1565.54  267.754 9.4183  262.128 5.5142  5.626434       10.91378  
1 1 1 10  48  10 o 346.767 5.8548  65337.87   2198.96  73876.34   4414.23  62519.63   2536.02  367.147 11.101  338.985 6.9072  28.16196       13.07409  
1 1 1 10  48  11 o 177.796 3.5152  17142.56   676.934  19040.43   1381.75  16543.20   776.503  187.027 6.8211  174.617 4.1057  12.41054       7.961431  
1 1 1 10  48  12 o 325.989 5.6395  57782.15   1991.20  61028.79   3996.27  56709.91   2296.58  333.117 11.076  322.719 6.5703  10.39813       12.87826  
1 1 1 10  48  13 o 91.661  2.8119  4555.45    279.158  4036.92    601.919  4697.55    315.094  85.819  6.5245  93.067  3.1259  -7.247581      7.234677  
1 1 1 10  48  14 o 136.559 3.0878  10116.99   456.708  10444.71   938.752  10015.37   522.742  138.370 6.2638  135.832 3.5532  2.537979       7.201416  
1 1 1 10  48  15 o 97.342  2.8313  5140.98    298.508  4804.59    626.505  5239.77    339.525  93.570  6.2172  98.248  3.1907  -4.677689      6.988146  
1 1 1 10  48  16 o 144.702 3.2026  11373.69   501.938  12505.60   1050.94  11039.19   571.312  151.045 6.4239  142.486 3.7019  8.558960       7.414236  
1 1 1 10  48  17 o 41.838  3.8467  960.970    172.359  760.723    437.558  997.749    187.520  36.322  10.518  42.597  4.1157  -6.275024      11.29427  
1 1 1 10  48  18 o 120.307 4.5659  7909.16    594.963  7617.34    837.650  8206.27    845.209  117.313 6.6195  121.851 6.4270  -4.537796      9.226242  
1 1 1 10  48  19 o 156.919 3.4014  13413.06   578.102  12585.11   1178.40  13675.48   663.421  150.464 7.2309  158.311 3.8691  -7.847092      8.200931  
1 1 1 10  48  20 o 115.989 3.0839  7327.70    387.431  8084.94    811.244  7103.96    440.969  120.626 6.2305  114.094 3.5684  6.532196       7.180048  
1 1 1 10  48  21 o 97.140  3.0582  5143.60    321.766  5637.30    702.631  5012.59    361.950  100.365 6.4985  95.801  3.4882  4.563362       7.375542  
1 1 1 10  48  22 o 70.081  3.5458  2694.46    268.270  3286.07    568.373  2524.88    304.299  76.079  6.9752  67.666  4.1724  8.413712       8.127910  
1 1 1 10  48  23 o 62.355  3.7803  2142.95    254.106  1805.57    545.966  2236.24    287.097  54.720  9.5599  63.577  4.1928  -8.857094      10.43896  
1 1 1 10  48  24 o 16.107  2.1200  143.634    36.087   499.900    449.654  141.325    36.204   29.785  10.805  15.971  2.1474  13.81452       11.01676  
1 1 1 10  48  25 o 42.752  2.2104  999.245    102.002  1362.54    490.754  982.841    104.280  46.279  10.076  42.386  2.2799  3.893074       10.33106  
1 1 1 10  48  26 o 37.463  1.9337  767.557    78.195   434.939    484.389  776.457    79.234   27.712  10.937  37.677  1.9483  -9.965151      11.10926  
1 1 1 10  48  27 f 55.618  3.0340  1718.61    182.079  0.0000     0.0000   1718.61    182.079  ?       ?       55.618  3.0340  0.000000       3.034023  
1 1 1 10  48  28 o 18.479  8.0690  55.284     305.251  0.0000     0.0000   55.284     305.251  ?       ?       18.479  8.0690  0.000000       8.068952  
1 1 1 10  48  29 o 44.482  7.7652  1304.31    360.503  0.0000     0.0000   1304.31    360.503  ?       ?       44.482  7.7652  0.000000       7.765160  
1 1 1 10  48  30 o 28.352  9.7387  622.996    361.249  0.0000     0.0000   622.996    361.249  ?       ?       28.352  9.7387  0.000000       9.738717  
1 1 1 10  49  0  o 183.858 3.7547  18323.39   747.698  17757.41   1057.97  18888.16   1056.83  180.908 5.3994  186.590 5.2294  -5.681992      7.516647  
1 1 1 10  49  1  o 155.576 3.1962  13116.41   538.575  13170.85   762.196  13062.12   761.126  155.846 4.5155  155.201 4.5279  0.6452026      6.394589  
1 1 1 10  49  2  o 174.272 3.5344  16461.16   667.140  15655.06   942.643  17270.13   944.316  169.874 5.1233  178.435 4.8861  -8.561722      7.079742  
1 1 1 10  49  3  o 216.216 4.7880  25356.85   1121.28  23054.74   1951.74  26490.99   1369.91  205.790 8.7564  220.924 5.7250  -15.13406      10.46189  
1 1 1 10  49  4  o 151.357 3.8762  12419.53   635.450  11227.43   1115.62  12992.03   773.121  143.727 7.1665  154.773 4.6119  -11.04568      8.522270  
1 1 1 10  49  5  o 467.194 7.6545  118705.80  3873.31  123804.80  7758.64  117013.10  4470.21  474.234 15.105  463.506 8.9044  10.72885       17.53426  
1 1 1 10  49  6  o 118.317 2.7386  7585.42    350.944  7618.88    736.705  7575.61    399.142  118.463 5.7417  118.230 3.1169  0.2326889      6.533188  
1 1 1 10  49  7  o 246.452 4.6820  32951.23   1249.79  36627.07   3292.59  32332.48   1350.89  258.629 11.754  244.086 5.1098  14.54298       12.81676  
1 1 1 10  49  8  o 331.015 5.5790  59498.50   2000.22  63462.45   4014.51  58189.50   2306.96  340.580 10.883  327.194 6.5098  13.38577       12.68124  
1 1 1 10  49  9  o 348.226 6.0077  65891.09   2265.89  67169.43   4544.21  65468.06   2614.05  349.833 11.993  346.907 6.9571  2.926514       13.86482  
1 1 1 10  49  10 o 217.820 3.9576  25735.40   933.695  29830.93   1892.77  24418.29   1073.38  234.035 7.4670  212.107 4.6723  21.92853       8.808327  
1 1 1 10  49  11 f 71.945  2.6881  2805.46    209.469  2775.66    487.625  2812.21    231.962  71.139  6.3970  72.024  2.9735  -0.8858109     7.054347  
1 1 1 10  49  12 o 60.644  2.1389  1992.91    140.491  2495.28    440.150  1935.93    148.245  67.439  6.0916  59.768  2.2900  7.671295       6.507800  
1 1 1 10  49  13 o 64.840  2.7609  2279.64    193.897  2761.15    453.534  2171.94    214.487  70.954  5.9566  63.279  3.1295  7.675194       6.728669  
1 1 1 10  49  14 o 160.992 3.3076  14067.37   576.747  15568.72   1175.85  13591.74   661.829  168.847 6.4297  158.184 3.8629  10.66359       7.500836  
1 1 1 10  49  15 o 85.904  2.7557  4003.95    256.401  4279.11    547.742  3926.74    290.153  88.341  5.7560  85.046  3.1499  3.295013       6.561511  
1 1 1 10  49  16 o 155.782 3.2981  13187.14   556.483  15146.18   1156.12  12596.41   634.865  166.165 6.4238  152.158 3.8523  14.00708       7.490365  
1 1 1 10  49  17 o 90.549  2.9850  4455.40    292.747  3467.30    632.778  4724.48    330.210  78.840  7.5007  93.212  3.2708  -14.37209      8.182809  
1 1 1 10  49  18 o 66.284  5.1271  2421.18    365.221  2334.68    512.097  2510.72    521.019  64.460  7.4736  66.926  7.3063  -2.466621      10.45164  
1 1 1 10  49  19 o 58.016  3.3970  1840.05    212.529  1663.44    480.550  1882.99    236.964  53.815  8.5289  58.632  3.7511  -4.816544      9.317353  
1 1 1 10  49  20 o 18.616  6.5541  171.221    164.118  358.055    394.930  132.221    180.436  27.330  10.093  17.921  6.7802  9.409601       12.15924  
1 1 1 10  49  21 o 56.842  3.9369  1777.71    240.887  1586.47    522.628  1829.30    271.439  51.688  9.6915  57.556  4.3873  -5.867973      10.63830  
1 1 1 10  49  22 o 53.376  2.2975  1550.00    132.823  1780.39    508.823  1533.16    137.593  54.934  8.8525  53.075  2.3935  1.859741       9.170409  
1 1 1 10  49  23 o 58.252  4.0465  1877.13    253.718  1626.16    531.615  1951.16    288.722  51.621  9.8680  59.237  4.5344  -7.616493      10.85993  
1 1 1 10  49  24 o 48.893  4.4788  1335.33    234.545  994.427    503.209  1429.95    265.103  39.331  11.247  50.456  4.9133  -11.12516      12.27335  
1 1 1 10  49  25 o 50.633  4.4969  1440.13    244.047  1210.70    517.169  1505.86    276.804  42.768  11.076  51.561  5.0202  -8.793030      12.16098  
1 1 1 10  49  26 o 49.705  4.6576  1408.39    247.822  1303.02    522.860  1438.93    281.444  43.061  11.130  49.893  5.2888  -6.832199      12.32250  
1 1 1 10  49  27 o 19.092  8.3717  41.077     331.680  0.0000     0.0000   41.077     331.680  ?       ?       19.092  8.3717  0.000000       8.371700  
1 1 1 10  49  28 f 18.170  7.9697  41.870     300.777  0.0000     0.0000   41.870     300.777  ?       ?       18.170  7.9697  0.000000       7.969671  
1 1 1 10  49  29 o 44.998  7.6594  1331.48    359.926  0.0000     0.0000   1331.48    359.926  ?       ?       44.998  7.6594  0.000000       7.659404  
1 1 1 10  49  30 o 16.807  7.7827  -94.3504   335.770  0.0000     0.0000   -94.3504   335.770  ?       ?       16.807  7.7827  0.000000       7.782697  
1 1 1 10  50  0  o 257.426 4.6601  35939.73   1299.32  37924.47   1838.88  33960.88   1836.15  264.266 6.4245  250.036 6.7801  14.22978       9.340479  
1 1 1 10  50  1  o 151.497 3.2793  12438.41   538.084  12244.84   788.429  12607.18   736.186  150.249 4.8448  152.475 4.4578  -2.225342      6.583652  
1 1 1 10  50  2  o 180.009 3.3360  17561.53   650.425  17505.26   919.191  17617.95   920.490  179.652 4.7239  180.230 4.7154  -0.5777893     6.674645  
1 1 1 10  50  3  o 54.493  3.0731  1614.30    180.640  1918.98    368.250  1517.76    207.294  59.173  5.8211  52.789  3.6479  6.384060       6.869633  
1 1 1 10  50  4  o 222.005 5.2974  26744.69   1273.78  26272.16   2788.62  26869.27   1431.89  218.855 11.808  222.463 5.9426  -3.608353      13.21897  
1 1 1 10  50  5  o 228.208 4.1933  28240.47   1036.48  28537.01   2090.35  28143.80   1193.53  228.945 8.4298  227.767 4.8381  1.178207       9.719476  
1 1 1 10  50  6  o 102.601 2.5704  5703.81    285.643  6441.46    615.022  5500.93    322.542  108.945 5.2121  100.751 2.9557  8.194313       5.991858  
1 1 1 10  50  7  o 115.981 2.7029  7289.16    339.531  8129.42    715.257  7044.74    385.765  122.371 5.3965  114.008 3.1241  8.363434       6.235544  
1 1 1 10  50  8  o 238.185 4.3558  30776.22   1123.71  31407.24   2263.89  30569.92   1294.43  239.997 8.7092  237.317 5.0359  2.680557       10.06036  
1 1 1 10  50  9  o 280.860 4.8295  42815.14   1469.12  47106.31   2954.29  41405.33   1693.34  293.708 9.2868  276.081 5.6629  17.62778       10.87718  
1 1 1 10  50  10 o 192.935 3.7835  20190.18   790.638  20125.34   1606.49  20210.91   908.249  192.152 7.7190  192.986 4.3452  -0.8341827     8.857996  
1 1 1 10  50  11 o 58.613  2.8006  1862.30    177.793  1920.22    439.986  1851.00    194.369  58.957  7.0288  58.348  3.0866  0.6091156      7.676683  
1 1 1 10  50  12 o 154.396 3.4468  12931.87   576.396  12089.01   1339.97  13123.24   638.487  148.425 8.3694  155.506 3.7908  -7.080872      9.187847  
1 1 1 10  50  13 o 117.390 2.9368  7474.23    373.402  8209.12    782.629  7257.64    424.880  122.745 5.8868  115.648 3.3920  7.097168       6.794177  
1 1 1 10  50  14 o 138.507 3.1800  10412.23   477.050  10821.26   1057.49  10307.72   534.530  140.619 6.9433  137.770 3.5822  2.849182       7.812882  
1 1 1 10  50  15 o 15.018  5.2359  109.586    104.606  -26.9659   302.665  128.111    111.476  18.842  8.1319  15.934  5.4108  2.908587       9.767521  
1 1 1 10  50  16 o 124.940 3.0426  8479.93    411.728  8699.76    869.166  8416.32    467.509  125.725 6.4040  124.412 3.4694  1.312271       7.283436  
1 1 1 10  50  17 o 122.219 3.0417  8119.44    402.645  8255.73    843.742  8079.25    458.182  122.311 6.3912  121.848 3.4718  0.4633865      7.273304  
1 1 1 10  50  18 o 71.100  3.2966  2751.43    253.866  2977.72    538.144  2686.65    287.916  73.052  6.8825  70.098  3.8065  2.954239       7.864943  
1 1 1 10  50  19 o 69.829  3.1159  2654.88    235.661  2751.90    524.958  2630.39    263.728  70.014  7.0171  69.367  3.5217  0.6465225      7.851248  
1 1 1 10  50  20 o 135.776 3.3276  10054.38   489.361  9003.70    975.851  10407.36   565.621  126.709 7.1397  137.997 3.7843  -11.28800      8.080613  
1 1 1 10  50  21 o 64.791  3.5512  2301.80    248.258  1997.19    531.207  2386.92    280.812  58.579  8.6311  65.886  3.9534  -7.306873      9.493415  
1 1 1 10  50  22 o 75.109  3.6162  3091.10    294.183  3175.15    672.833  3071.23    327.106  73.764  8.5819  74.648  4.0610  -0.8838043     9.494274  
1 1 1 10  50  23 o 36.918  1.9839  743.315    79.038   512.727    476.032  749.852    80.150   30.413  11.105  37.078  2.0032  -6.664566      11.28419  
1 1 1 10  50  24 o 16.023  2.0309  141.938    34.455   -118.2063  459.977  143.406    34.552   21.211  9.5442  16.108  2.0252  5.103168       9.756678  
1 1 1 10  50  25 o 12.350  5.8282  -204.6092  203.595  174.103    450.563  -301.7762  228.224  24.068  10.137  12.281  5.8990  11.78731       11.72884  
1 1 1 10  50  26 o 21.640  7.8220  264.932    235.318  200.010    473.173  286.266    271.239  23.966  10.252  22.569  8.3588  1.396242       13.22791  
1 1 1 10  50  27 o 16.839  7.5634  -44.7485   287.407  0.0000     0.0000   -44.7485   287.407  ?       ?       16.839  7.5634  0.000000       7.563406  
1 1 1 10  50  28 o 26.567  9.1250  485.151    317.151  0.0000     0.0000   485.151    317.151  ?       ?       26.567  9.1250  0.000000       9.125003  
1 1 1 10  50  29 o 22.890  8.9553  331.315    322.237  0.0000     0.0000   331.315    322.237  ?       ?       22.890  8.9553  0.000000       8.955296  
1 1 1 10  50  30 o 29.289  9.5157  655.490    345.579  0.0000     0.0000   655.490    345.579  ?       ?       29.289  9.5157  0.000000       9.515739  
1 1 1 10  51  0  o 265.491 4.8932  38234.15   1407.06  37201.33   1990.52  39265.65   1989.24  261.653 7.0238  268.839 6.8317  -7.186127      9.798209  
1 1 1 10  51  1  o 48.818  2.7495  1295.42    144.788  1149.39    204.005  1443.64    205.526  45.855  4.1526  51.473  3.7114  -5.618256      5.569481  
1 1 1 10  51  2  o 192.092 3.7822  20002.89   786.911  19868.21   1112.24  20137.87   1113.48  191.347 5.3667  192.643 5.3365  -1.296280      7.568369  
1 1 1 10  51  3  o 175.452 3.9166  16689.24   744.286  17747.57   1304.61  16178.57   906.235  180.742 6.6643  172.697 4.8449  8.044891       8.239283  
1 1 1 10  51  4  o 39.304  3.5946  844.383    151.330  1218.09    339.037  751.404    169.111  46.850  6.8870  36.975  4.3032  9.874714       8.120893  
1 1 1 10  51  5  o 438.275 7.2136  104444.50  3424.29  108024.80  6861.01  103256.90  3951.64  443.121 14.295  435.470 8.3782  7.650177       16.56960  
1 1 1 10  51  6  o 195.582 3.5230  20736.72   746.296  23017.07   1515.17  20006.29   857.531  205.770 6.7984  192.070 4.1221  13.69936       7.950509  
1 1 1 10  51  7  o 234.083 4.3710  29724.38   1108.22  33931.49   2879.75  28993.02   1200.68  249.061 10.675  231.146 4.7959  17.91571       11.70309  
1 1 1 10  51  8  o 57.894  1.7428  1815.63    109.282  2128.92    143.509  1383.21    168.602  62.686  2.1137  50.421  3.1024  12.26490       3.753995  
1 1 1 10  51  9  o 194.236 3.6929  20460.04   776.904  20918.72   1573.69  20312.22   893.361  195.988 7.4134  193.488 4.2629  2.499313       8.551667  
1 1 1 10  51  10 o 179.704 3.5395  17513.91   688.916  17557.63   1406.26  17500.10   790.238  179.518 7.2325  179.592 4.0626  -0.7423401E-01 8.295356  
1 1 1 10  51  11 o 168.796 3.5716  15455.93   652.978  17393.07   1562.38  15045.95   718.763  178.442 8.0839  166.507 3.9855  11.93483       9.012933  
1 1 1 10  51  12 o 263.582 4.7806  37759.40   1364.80  39423.96   2745.83  37213.24   1572.84  267.936 9.4618  261.505 5.5531  6.430511       10.97097  
1 1 1 10  51  13 o 200.059 4.0249  21742.43   872.126  22262.96   1667.60  21546.46   1023.21  201.626 7.6362  199.034 4.7464  2.591766       8.991085  
1 1 1 10  51  14 o 134.086 3.0182  9757.34    438.324  11229.94   906.196  9307.58    500.807  143.431 5.8332  130.907 3.5321  12.52373       6.819264  
1 1 1 10  51  15 o 163.325 3.3953  14494.62   600.625  15812.74   1244.55  14094.41   685.770  169.745 6.7694  160.962 3.9335  8.782394       7.829237  
1 1 1 10  51  16 o 36.769  1.6473  732.863    65.602   749.975    424.518  732.445    66.400   36.069  10.335  36.758  1.6678  -0.6893692     10.46906  
1 1 1 10  51  17 o 150.848 3.3993  12382.75   555.384  12196.90   1115.36  12444.02   640.425  148.585 6.9306  151.102 3.9132  -2.517471      7.959054  
1 1 1 10  51  18 o 96.190  3.9370  5048.42    410.168  4815.76    517.816  5440.25    671.992  93.569  5.1290  99.091  6.2939  -5.521858      8.119083  
1 1 1 10  51  19 o 71.268  3.1397  2766.32    242.358  2730.98    540.904  2775.19    271.094  69.611  7.2819  71.332  3.5088  -1.721291      8.083229  
1 1 1 10  51  20 o 36.029  5.5255  732.689    208.747  554.131    428.438  788.271    239.039  31.466  10.608  37.236  6.1412  -5.769039      12.25729  
1 1 1 10  51  21 o 71.819  2.6469  2808.72    205.897  2282.61    537.791  2899.09    222.879  62.895  8.0815  72.938  2.8213  -10.04324      8.559771  
1 1 1 10  51  22 o 44.599  5.0854  1116.15    241.261  1076.32    498.221  1128.35    275.748  41.575  10.922  44.601  5.8492  -3.025650      12.39005  
1 1 1 10  51  23 o 25.510  7.4047  382.661    216.639  34.297     461.754  480.984    245.314  23.103  10.007  28.404  7.7558  -5.300861      12.66089  
1 1 1 10  51  24 o 31.117  6.6522  572.433    217.404  829.138    477.172  505.188    244.225  35.925  11.122  28.950  7.6673  6.975574       13.50906  
1 1 1 10  51  25 o 46.572  4.8311  1232.52    240.147  1061.01    513.369  1280.56    271.708  39.335  11.393  47.206  5.4119  -7.870827      12.61314  
1 1 1 10  51  26 o 19.357  7.7415  160.302    245.740  0.0000     0.0000   160.302    245.740  ?       ?       19.357  7.7415  0.000000       7.741484  
1 1 1 10  51  27 o 19.557  8.2211  127.337    295.381  0.0000     0.0000   127.337    295.381  ?       ?       19.557  8.2211  0.000000       8.221074  
1 1 1 10  51  28 o 17.108  7.7088  -31.0190   301.329  0.0000     0.0000   -31.0190   301.329  ?       ?       17.108  7.7088  0.000000       7.708850  
1 1 1 10  51  29 o 16.784  7.6692  -57.6228   311.186  0.0000     0.0000   -57.6228   311.186  ?       ?       16.784  7.6692  0.000000       7.669192  
1 1 1 10  51  30 o 29.981  9.4871  684.426    345.188  0.0000     0.0000   684.426    345.188  ?       ?       29.981  9.4871  0.000000       9.487143  
1 1 1 10  52  0  o 108.568 2.9384  6387.18    345.532  6546.69    493.367  6233.63    484.077  109.883 4.1454  107.223 4.1683  2.660164       5.878725  
1 1 1 10  52  1  o 239.978 4.3651  31229.98   1134.58  31647.08   1604.52  30812.86   1604.55  241.416 6.1363  238.204 6.2192  3.211777       8.736864  
1 1 1 10  52  2  o 191.372 3.9004  19855.40   808.453  18455.91   1142.57  21258.62   1144.08  184.388 5.7211  197.924 5.3369  -13.53633      7.823899  
1 1 1 10  52  3  o 141.822 3.1687  10900.64   486.733  10277.76   688.917  11521.46   687.774  137.652 4.6208  145.756 4.3566  -8.103683      6.350709  
1 1 1 10  52  4  o 29.150  4.2173  470.350    129.281  770.739    318.268  410.992    141.479  36.913  8.1760  27.094  5.0055  9.819098       9.586498  
1 1 1 10  52  5  o 123.540 3.5667  8273.73    477.245  7345.73    847.648  8704.43    577.469  116.054 6.7729  126.689 4.2084  -10.63498      7.973926  
1 1 1 10  52  6  o 85.435  2.7577  3955.43    255.184  3567.63    558.888  4057.57    286.828  80.766  6.4425  86.524  3.0607  -5.757965      7.132539  
1 1 1 10  52  7  o 250.152 4.3789  33947.32   1186.43  34777.73   2390.30  33675.86   1366.67  252.539 8.7388  249.077 5.0659  3.462372       10.10102  
1 1 1 10  52  8  f 231.533 4.3130  29083.84   1081.59  28081.41   2179.29  29411.45   1245.85  226.847 8.8698  232.768 4.9417  -5.920654      10.15346  
1 1 1 10  52  9  o 70.623  2.6601  2703.16    203.475  2554.41    463.220  2738.72    226.496  68.239  6.3398  71.080  2.9420  -2.840813      6.989164  
1 1 1 10  52  10 o 147.643 3.1124  11818.93   497.704  13501.56   1027.43  11303.03   568.910  157.546 6.0211  144.353 3.6387  13.19379       7.035176  
1 1 1 10  52  11 o 112.895 2.8899  6910.44    353.365  7048.94    751.291  6871.10    400.421  113.622 6.1275  112.553 3.2846  1.068153       6.952370  
1 1 1 10  52  12 o 79.531  2.6688  3429.58    229.895  4837.79    521.674  3090.19    256.105  94.166  5.1343  75.476  3.1328  18.68974       6.014605  
1 1 1 10  52  13 f 64.382  2.8127  2248.44    196.138  2803.58    448.524  2117.19    218.096  71.463  5.8459  62.374  3.2395  9.089230       6.683457  
1 1 1 10  52  14 o 41.318  2.1337  928.068    95.159   1455.59    371.096  890.938    98.451   51.094  6.8807  40.472  2.2549  10.62241       7.240753  
1 1 1 10  52  15 o 42.926  1.5967  998.696    74.236   831.081    441.456  1003.57    75.309   37.925  10.424  43.031  1.6158  -5.105515      10.54883  
1 1 1 10  52  16 o 19.030  5.4761  202.747    118.948  1006.14    405.025  126.915    124.435  41.676  9.2174  16.219  5.7073  25.45644       10.84129  
1 1 1 10  52  17 o 128.679 3.0923  9004.35    430.987  9748.43    901.142  8783.67    490.754  133.045 6.2535  127.006 3.5676  6.039078       7.199582  
1 1 1 10  52  18 o 122.300 4.6020  8187.18    609.593  8316.80    861.865  8057.42    862.323  122.448 6.5221  120.468 6.6344  1.979240       9.303409  
1 1 1 10  52  19 o 36.921  2.4700  744.169    98.202   566.056    443.464  753.354    100.702  31.952  10.792  37.143  2.5180  -5.191645      11.08204  
1 1 1 10  52  20 o 60.861  3.7060  2032.20    243.135  1620.83    497.250  2161.45    278.727  52.621  9.0510  62.678  4.1289  -10.05754      9.948311  
1 1 1 10  52  21 o 67.711  3.4789  2513.90    254.270  2129.37    526.072  2631.11    290.449  60.588  8.2295  69.169  3.8928  -8.580482      9.103738  
1 1 1 10  52  22 o 144.547 3.4792  11446.50   544.705  9350.66    1082.70  12156.76   630.280  127.459 7.8814  148.739 3.9124  -21.27967      8.799005  
1 1 1 10  52  23 o 80.561  3.4899  3562.11    304.515  3098.99    626.627  3705.30    348.422  72.706  8.0947  82.021  3.9220  -9.314514      8.994830  
1 1 1 10  52  24 o 45.802  4.8108  1182.93    235.089  862.182    500.517  1273.72    266.290  36.365  11.413  47.358  5.2815  -10.99312      12.57589  
1 1 1 10  52  25 o 68.827  3.9568  2646.35    293.725  2306.34    582.508  2762.28    340.132  60.409  9.1928  70.007  4.5097  -9.597923      10.23941  
1 1 1 10  52  26 o 23.961  8.0856  356.151    248.919  0.0000     0.0000   356.151    248.919  ?       ?       23.961  8.0856  0.000000       8.085566  
1 1 1 10  52  27 o 43.295  7.4289  1184.03    335.820  0.0000     0.0000   1184.03    335.820  ?       ?       43.295  7.4289  0.000000       7.428899  
1 1 1 10  52  28 o 32.309  9.0332  736.647    328.421  0.0000     0.0000   736.647    328.421  ?       ?       32.309  9.0332  0.000000       9.033246  
1 1 1 10  52  29 o 41.322  8.2271  1166.64    355.268  0.0000     0.0000   1166.64    355.268  ?       ?       41.322  8.2271  0.000000       8.227138  
1 1 1 10  53  0  o 305.600 5.1276  50673.50   1697.21  52613.89   2401.41  48736.98   2399.02  311.118 7.1264  299.393 7.3981  11.72485       10.27220  
1 1 1 10  53  1  f 106.438 2.8384  6138.94    327.220  6329.27    461.379  5946.31    464.151  108.046 3.9426  104.721 4.0922  3.324310       5.682413  
1 1 1 10  53  2  o 306.992 5.2174  51142.82   1734.81  51188.75   2453.54  51096.89   2453.23  306.815 7.3833  306.538 7.3890  0.2763672      10.44552  
1 1 1 10  53  3  o 323.520 6.0587  56843.59   2123.00  53735.64   3265.63  59118.61   2793.98  313.876 9.6059  329.617 7.8261  -15.74130      12.39036  
1 1 1 10  53  4  o 62.149  2.7838  2093.05    187.386  1737.36    269.328  2426.77    260.882  56.421  4.4432  66.808  3.6188  -10.38720      5.730463  
1 1 1 10  53  5  o 421.618 8.5137  96862.81   3887.84  95029.99   6742.32  97775.82   4758.67  414.933 15.002  422.965 10.387  -8.032440      18.24753  
1 1 1 10  53  6  o 379.764 6.4760  78395.16   2663.74  77546.62   5340.00  78676.23   3073.43  375.534 13.129  380.212 7.4632  -4.677765      15.10174  
1 1 1 10  53  7  o 168.200 3.3086  15337.04   602.760  15128.49   1230.25  15402.92   691.435  166.774 6.8108  168.534 3.7879  -1.759857      7.793217  
1 1 1 10  53  8  o 120.524 2.7664  7872.91    361.127  8927.84    758.408  7563.59    410.671  128.197 5.4620  118.116 3.2101  10.08048       6.335491  
1 1 1 10  53  9  o 144.703 3.1261  11352.35   489.956  11911.69   1006.24  11178.52   560.944  147.972 6.2784  143.564 3.6075  4.408035       7.241049  
1 1 1 10  53  10 o 35.027  3.2877  671.237    123.269  500.432    354.995  694.655    131.449  30.433  9.6200  35.621  3.4503  -5.188055      10.22002  
1 1 1 10  53  11 o 75.402  2.6304  3082.24    214.819  3750.16    499.543  2930.70    237.944  82.829  5.6012  73.513  2.9884  9.315170       6.348558  
1 1 1 10  53  12 o 118.011 2.9308  7554.11    374.613  8380.25    789.796  7314.30    425.525  123.997 5.8808  116.092 3.3842  7.904755       6.784994  
1 1 1 10  53  13 o 126.557 3.0032  8691.36    411.655  9080.88    854.773  8573.74    469.714  128.952 6.1200  125.657 3.4513  3.295441       7.026062  
1 1 1 10  53  14 o 95.461  2.8092  4945.81    290.458  5580.42    663.235  4795.22    323.089  100.814 6.1028  93.968  3.1745  6.845764       6.879063  
1 1 1 10  53  15 o 25.160  4.7161  356.435    123.797  454.141    415.538  346.918    129.686  29.884  10.435  24.769  5.0062  5.115217       11.57338  
1 1 1 10  53  16 f 50.925  3.2084  1415.66    176.061  1415.61    468.865  1415.67    189.962  49.626  9.0568  50.892  3.4669  -1.265614      9.697675  
1 1 1 10  53  17 f 28.085  5.1463  445.397    150.775  540.764    416.342  431.002    161.755  31.441  10.456  27.532  5.6147  3.908594       11.86803  
1 1 1 10  53  18 f 112.776 4.3289  6956.68    528.772  7023.61    786.365  6901.44    714.398  112.453 6.4838  111.697 5.9263  0.7559052      8.784145  
1 1 1 10  53  19 o 111.076 3.1402  6721.88    377.784  6641.56    776.793  6746.77    432.361  109.112 6.6041  111.179 3.5905  -2.066475      7.517022  
1 1 1 10  53  20 o 62.260  2.5785  2109.25    173.880  2590.01    506.606  2045.06    185.126  67.646  7.0165  61.280  2.7892  6.365646       7.550553  
1 1 1 10  53  21 o 60.871  3.6070  2035.72    236.747  1724.47    505.154  2123.33    268.003  54.045  8.9425  62.069  4.0080  -8.024044      9.799611  
1 1 1 10  53  22 o 67.068  3.5977  2474.20    260.386  1660.14    527.497  2736.46    299.406  52.358  9.6576  70.436  3.9404  -18.07802      10.43055  
1 1 1 10  53  23 o 22.026  1.9168  265.789    45.271   695.390    471.990  261.800    45.481   33.614  11.131  21.855  1.9415  11.75872       11.29862  
1 1 1 10  53  24 o 41.999  2.0890  961.154    95.028   1091.65    492.980  956.119    96.844   40.812  10.933  41.828  2.1448  -1.016521      11.14107  
1 1 1 10  53  25 o 39.056  1.8359  831.500    77.660   713.063    489.097  834.563    78.658   32.324  11.319  39.125  1.8562  -6.800686      11.46983  
1 1 1 10  53  26 o 22.345  8.8935  249.637    322.797  0.0000     0.0000   249.637    322.797  ?       ?       22.345  8.8935  0.000000       8.893517  
1 1 1 10  53  27 o 27.956  8.9752  531.609    308.086  0.0000     0.0000   531.609    308.086  ?       ?       27.956  8.9752  0.000000       8.975197  
1 1 1 10  53  28 o 18.327  8.2417  -1.4925    342.407  0.0000     0.0000   -1.4925    342.407  ?       ?       18.327  8.2417  0.000000       8.241746  
1 1 1 10  53  29 o 23.104  9.0139  346.395    325.772  0.0000     0.0000   346.395    325.772  ?       ?       23.104  9.0139  0.000000       9.013871  
1 1 1 10  54  0  o 391.408 7.1964  83293.61   3050.79  83730.27   4714.38  82979.00   4001.65  391.366 11.122  390.108 9.4708  1.258606       14.60779  
1 1 1 10  54  1  o 281.596 5.4236  43040.77   1654.17  43559.53   2533.96  42655.53   2183.64  282.863 8.2709  280.091 7.1980  2.771729       10.96446  
1 1 1 10  54  2  o 99.445  2.5372  5358.26    273.278  5589.35    385.664  5125.22    387.289  101.543 3.5066  97.231  3.6776  4.312080       5.081429  
1 1 1 10  54  3  o 62.850  2.6180  2140.37    178.212  2297.02    252.633  1985.21    251.430  64.993  3.6029  60.386  3.8645  4.607311       5.283533  
1 1 1 10  54  4  o 71.124  3.0735  2741.72    236.770  2830.67    453.625  2708.42    277.581  71.955  5.8718  70.585  3.6432  1.369186       6.910220  
1 1 1 10  54  5  o 208.891 4.6655  23676.29   1055.56  22350.62   1841.14  24325.40   1288.33  202.526 8.3934  211.644 5.6202  -9.118240      10.10123  
1 1 1 10  54  6  o 209.528 4.0449  23811.25   917.944  27113.45   2326.22  23202.21   999.014  222.798 9.6398  206.797 4.4602  16.00113       10.62164  
1 1 1 10  54  7  o 67.480  2.5457  2467.58    186.062  3196.85    442.457  2310.92    205.076  76.534  5.3717  65.296  2.8997  11.23750       6.104355  
1 1 1 10  54  8  o 156.493 3.1045  13276.82   526.205  15374.86   1080.88  12625.12   602.412  168.167 5.9343  152.573 3.6454  15.59360       6.964522  
1 1 1 10  54  9  o 101.642 2.6311  5599.66    289.656  5919.33    554.139  5479.48    339.769  104.393 4.9009  100.528 3.1205  3.864677       5.810044  
1 1 1 10  54  10 o 76.349  3.1871  3161.42    263.555  3347.71    490.039  3085.60    312.618  78.221  5.8259  75.306  3.8456  2.915024       6.980667  
1 1 1 10  54  11 o 176.635 3.4081  16929.39   652.020  20150.40   1334.01  15918.39   747.374  192.231 6.4072  171.212 4.0303  21.01848       7.569316  
1 1 1 10  54  12 o 183.467 3.5768  18275.96   710.754  20681.31   1447.34  17511.54   815.912  194.491 6.8707  179.501 4.1967  14.98965       8.050982  
1 1 1 10  54  13 o 141.415 3.1798  10856.91   487.047  10839.68   1003.08  10862.23   557.130  140.734 6.5806  141.396 3.6379  -0.6617889     7.519204  
1 1 1 10  54  14 o 60.625  2.2027  1993.30    144.637  2069.41    203.700  1915.90    205.405  61.731  3.0466  59.303  3.2099  2.428703       4.425483  
1 1 1 10  54  15 o 83.692  2.7965  3803.74    253.492  4086.46    592.119  3740.30    280.496  86.018  6.4014  82.963  3.1216  3.054482       7.121905  
1 1 1 10  54  16 o 154.936 3.2467  13056.31   544.842  13088.51   1126.46  13046.47   622.502  154.027 6.7523  154.775 3.7134  -0.7480621     7.705989  
1 1 1 10  54  17 o 52.522  3.3243  1507.63    188.132  1963.96    471.708  1421.31    205.154  58.989  7.5567  50.926  3.7456  8.062809       8.434051  
1 1 1 10  54  18 o 100.502 3.6355  5510.31    395.741  5389.58    704.012  5566.07    478.495  98.348  6.6482  100.842 4.3809  -2.494629      7.961827  
1 1 1 10  54  19 o 144.503 3.3615  11389.41   526.118  11214.65   1070.21  11445.11   604.163  141.732 6.9716  144.693 3.8551  -2.961426      7.966491  
1 1 1 10  54  20 o 84.672  3.1531  3911.47    289.166  4268.91    609.722  3807.74    328.454  87.197  6.5027  83.441  3.6343  3.756256       7.449412  
1 1 1 10  54  21 o 62.346  3.6318  2136.38    244.186  2367.45    509.588  2067.51    278.207  64.198  7.4683  61.172  4.2249  3.026627       8.580492  
1 1 1 10  54  22 f 50.924  4.1249  1437.78    225.554  1202.45    477.017  1505.55    255.978  44.071  10.196  51.975  4.5945  -7.903950      11.18325  
1 1 1 10  54  23 o 51.066  4.2553  1451.62    233.221  1439.41    498.784  1455.04    263.839  48.192  9.8874  50.926  4.8416  -2.733841      11.00916  
1 1 1 10  54  24 o 16.848  7.0683  52.092     217.644  295.387    460.056  -18.0584   247.036  26.007  10.525  16.546  7.2411  9.460682       12.77500  
1 1 1 10  54  25 o 20.089  7.4608  211.066    216.389  87.051     469.985  244.427    243.763  22.709  9.9615  21.327  7.9191  1.381546       12.72571  
1 1 1 10  54  26 o 17.825  7.7310  39.252     276.282  0.0000     0.0000   39.252     276.282  ?       ?       17.825  7.7310  0.000000       7.730996  
1 1 1 10  54  27 o 15.109  7.1844  -279.6120  320.737  0.0000     0.0000   -279.6120  320.737  ?       ?       15.109  7.1844  0.000000       7.184433  
1 1 1 10  54  28 o 14.189  6.7685  -264.0846  289.369  0.0000     0.0000   -264.0846  289.369  ?       ?       14.189  6.7685  0.000000       6.768455  
1 1 1 10  54  29 f 15.031  7.2345  -334.9360  347.423  0.0000     0.0000   -334.9360  347.423  ?       ?       15.031  7.2345  0.000000       7.234517  
1 1 1 10  55  0  o 326.901 5.5951  58017.35   1981.06  59795.42   2802.90  56242.48   2800.37  331.482 7.8069  321.435 8.0436  10.04678       11.20928  
1 1 1 10  55  1  o 352.211 6.1482  67386.87   2345.41  64857.76   3316.78  69916.38   3317.05  344.967 8.8771  358.250 8.5486  -13.28302      12.32401  
1 1 1 10  55  2  o 192.191 3.7874  20027.44   788.392  19883.11   1114.64  20171.93   1115.27  191.382 5.3773  192.770 5.3416  -1.388031      7.579453  
1 1 1 10  55  3  o 122.477 2.9349  8129.58    389.325  7401.30    550.189  8859.97    550.990  116.811 4.3487  127.821 3.9799  -11.01014      5.894951  
1 1 1 10  55  4  o 62.653  2.7435  2127.20    186.171  1901.71    268.043  2337.35    258.772  59.063  4.2178  65.556  3.6591  -6.493095      5.583783  
1 1 1 10  55  5  f 41.672  3.8535  949.743    171.959  478.410    366.785  1082.53    194.680  30.124  9.8042  44.489  4.0858  -14.36450      10.62147  
1 1 1 10  55  6  o 88.533  2.6851  4247.81    257.477  4845.35    562.329  4089.30    289.620  94.286  5.5307  86.856  3.0786  7.429741       6.329795  
1 1 1 10  55  7  o 171.623 3.3578  15970.40   624.171  16822.96   1273.70  15700.96   716.040  175.829 6.6882  170.134 3.8858  5.694672       7.735061  
1 1 1 10  55  8  o 167.194 3.3240  15158.27   601.929  15613.03   1228.02  15014.46   690.579  169.346 6.6951  166.363 3.8325  2.982452       7.714488  
1 1 1 10  55  9  o 104.172 2.7643  5882.82    311.896  6886.59    663.041  5597.60    353.442  112.544 5.4394  101.597 3.2119  10.94715       6.316891  
1 1 1 10  55  10 o 184.599 3.6601  18492.66   731.796  17551.32   1480.92  18796.78   841.749  179.219 7.6291  186.052 4.1771  -6.833130      8.697825  
1 1 1 10  55  11 o 80.447  2.6797  3509.47    233.494  3859.57    532.019  3425.95    259.858  83.950  5.8884  79.470  3.0190  4.479393       6.617198  
1 1 1 10  55  12 o 73.688  2.7028  2945.28    215.718  3226.18    496.386  2879.88    239.517  76.648  6.0279  72.850  3.0355  3.798027       6.749092  
1 1 1 10  55  13 o 41.289  3.1954  931.244    141.785  921.245    366.767  933.000    153.737  40.098  8.6954  41.296  3.4693  -1.198166      9.361919  
1 1 1 10  55  14 o 218.562 4.0063  26002.51   948.394  27076.45   1922.71  25657.20   1090.26  221.337 8.0203  216.917 4.6405  4.419342       9.266045  
1 1 1 10  55  15 o 57.167  3.0947  1781.32    190.902  1823.07    490.140  1773.85    207.270  56.770  8.2098  57.012  3.3716  -0.2427559     8.875157  
1 1 1 10  55  16 o 65.295  3.0079  2317.76    212.724  1826.42    524.163  2414.64    232.753  56.532  8.8510  66.627  3.2254  -10.09472      9.420321  
1 1 1 10  55  17 o 95.393  2.8257  4947.54    291.949  4818.90    666.414  4978.09    324.774  93.093  6.6532  95.643  3.1351  -2.550819      7.354856  
1 1 1 10  55  18 o 42.009  5.3431  986.078    237.611  1214.96    447.286  896.094    280.457  45.486  9.3902  39.647  6.7743  5.838402       11.57877  
1 1 1 10  55  19 o 106.748 3.0134  6208.12    348.410  4739.13    748.307  6614.70    393.685  91.530  7.6175  110.123 3.3007  -18.59343      8.301814  
1 1 1 10  55  20 o 154.726 3.4470  13084.95   577.664  12671.41   1172.04  13217.64   663.902  149.952 7.2164  155.287 3.9473  -5.334900      8.225411  
1 1 1 10  55  21 o 98.639  2.9456  5310.47    314.696  5384.38    692.708  5291.25    353.254  97.615  6.5905  98.358  3.3160  -0.7428665     7.377653  
1 1 1 10  55  22 o 39.817  4.7749  890.656    201.814  1091.89    451.658  840.456    225.586  41.982  10.064  38.411  5.5861  3.571060       11.51012  
1 1 1 10  55  23 o 44.791  4.6351  1126.27    221.610  926.898    460.930  1186.21    252.739  38.062  10.723  45.780  5.1888  -7.717583      11.91208  
1 1 1 10  55  24 o 22.970  7.3888  310.353    208.721  788.430    455.853  183.542    234.777  34.451  10.902  20.021  7.6958  14.43052       13.34496  
1 1 1 10  55  25 o 28.859  8.1867  534.739    267.723  0.0000     0.0000   534.739    267.723  ?       ?       28.859  8.1867  0.000000       8.186738  
1 1 1 10  55  26 o 54.769  5.8870  1778.80    343.738  0.0000     0.0000   1778.80    343.738  ?       ?       54.769  5.8870  0.000000       5.886967  
1 1 1 10  55  27 o 46.487  6.9209  1348.21    337.840  0.0000     0.0000   1348.21    337.840  ?       ?       46.487  6.9209  0.000000       6.920862  
1 1 1 10  55  28 o 30.170  9.6857  675.577    358.799  0.0000     0.0000   675.577    358.799  ?       ?       30.170  9.6857  0.000000       9.685726  
1 1 1 10  55  29 o 15.574  7.2742  -148.7916  303.353  0.0000     0.0000   -148.7916  303.353  ?       ?       15.574  7.2742  0.000000       7.274206  
1 1 1 10  56  0  o 107.721 2.8726  6288.46    335.152  6537.54    476.781  6045.16    471.222  109.798 4.0092  105.578 4.1208  4.219780       5.749283  
1 1 1 10  56  1  o 191.927 3.6527  19971.08   759.319  20293.38   1073.61  19648.49   1074.07  193.364 5.1263  190.260 5.2121  3.104324       7.310603  
1 1 1 10  56  2  o 84.413  2.7651  3861.39    252.811  3573.49    356.224  4153.54    358.848  81.175  4.0517  87.523  3.7855  -6.348419      5.544878  
1 1 1 10  56  3  o 341.765 5.6912  63435.19   2106.71  63432.27   2979.87  63438.10   2978.80  341.270 8.0617  341.286 8.0585  -0.1647949E-01 11.39872  
1 1 1 10  56  4  o 221.739 4.0490  26667.15   972.438  26116.10   1376.59  27216.05   1373.89  219.263 5.7965  223.848 5.6666  -4.585037      8.106208  
1 1 1 10  56  5  o 198.814 4.2103  21443.23   906.625  21907.80   1586.16  21217.80   1104.91  200.606 7.3002  197.680 5.1605  2.926544       8.939981  
1 1 1 10  56  6  o 76.490  2.3265  3170.25    192.745  3496.00    313.607  2972.49    244.341  80.291  3.6062  74.050  3.0465  6.240746       4.720759  
1 1 1 10  56  7  o 60.973  2.0577  2014.29    135.893  2112.76    192.762  1917.00    191.607  62.431  2.8507  59.391  2.9882  3.040184       4.129858  
1 1 1 10  56  8  o 54.006  2.2596  1580.57    132.176  1287.31    185.725  1881.54    188.148  48.587  3.5539  58.836  2.9619  -10.24972      4.626399  
1 1 1 10  56  9  o 37.917  3.1826  785.224    129.495  808.066    341.690  781.393    139.933  37.691  8.5646  37.795  3.4566  -0.1046104     9.235831  
1 1 1 10  56  10 o 26.626  3.8154  392.668    106.883  894.235    311.050  325.517    113.814  39.811  7.4885  24.085  4.5292  15.72637       8.751610  
1 1 1 10  56  11 o 30.163  0.9134  492.785    29.840   400.358    336.522  493.517    29.958   27.859  9.4013  30.185  0.9163  -2.326595      9.445861  
1 1 1 10  56  12 o 67.656  2.7211  2483.28    199.402  2441.36    465.800  2492.69    220.641  66.489  6.5534  67.771  3.0059  -1.282104      7.209843  
1 1 1 10  56  13 o 114.268 2.9082  7088.21    359.933  7908.62    793.394  6875.61    403.886  120.051 6.1220  112.500 3.3146  7.551231       6.961772  
1 1 1 10  56  14 o 23.465  4.8222  311.420    118.460  577.776    416.859  288.021    123.554  32.391  10.444  22.517  5.1747  9.874128       11.65603  
1 1 1 10  56  15 f 133.793 3.0736  9730.02    445.396  9901.71    939.485  9680.24    505.857  134.122 6.4672  133.377 3.5017  0.7452850      7.354379  
1 1 1 10  56  16 o 105.267 2.9193  6023.79    332.842  6108.25    735.366  6002.02    373.265  105.031 6.4961  105.024 3.2814  0.6355286E-02  7.277863  
1 1 1 10  56  17 o 27.785  5.9122  441.329    172.458  228.366    422.849  483.821    188.881  25.708  10.196  29.069  6.1889  -3.361219      11.92701  
1 1 1 10  56  18 o 70.629  3.8884  2733.73    296.311  3084.74    543.547  2585.31    353.449  74.161  6.8442  68.467  4.7965  5.694130       8.357591  
1 1 1 10  56  19 o 20.395  6.7116  223.960    171.710  549.458    412.157  155.599    188.883  31.191  10.405  18.749  6.9691  12.44214       12.52298  
1 1 1 10  56  20 o 48.137  4.1982  1282.10    216.693  780.701    468.749  1418.37    244.371  35.917  11.008  50.569  4.5089  -14.65197      11.89559  
1 1 1 10  56  21 o 123.148 3.2384  8294.40    431.949  7362.14    881.648  8588.86    495.491  113.648 7.1997  125.147 3.6555  -11.49880      8.074506  
1 1 1 10  56  22 f 128.884 3.2912  9099.63    459.441  8676.14    931.921  9235.61    528.078  123.218 7.0119  129.617 3.7615  -6.399391      7.957104  
1 1 1 10  56  23 o 53.996  2.6204  1593.07    153.249  1596.70    497.130  1592.69    161.094  50.899  9.3627  53.892  2.7692  -2.993793      9.763592  
1 1 1 10  56  24 o 38.626  2.2542  817.928    93.898   797.765    486.102  818.710    95.700   34.282  11.293  38.636  2.2973  -4.353783      11.52432  
1 1 1 10  56  25 o 60.491  2.8897  2019.01    189.327  0.0000     0.0000   2019.01    189.327  ?       ?       60.491  2.8897  0.000000       2.889679  
1 1 1 10  56  26 o 66.808  5.6017  2623.95    401.599  0.0000     0.0000   2623.95    401.599  ?       ?       66.808  5.6017  0.000000       5.601722  
1 1 1 10  56  27 o 14.197  6.7083  -218.6042  271.356  0.0000     0.0000   -218.6042  271.356  ?       ?       14.197  6.7083  0.000000       6.708311  
1 1 1 10  56  28 o 43.712  7.3908  1240.96    337.436  0.0000     0.0000   1240.96    337.436  ?       ?       43.712  7.3908  0.000000       7.390761  
1 1 1 10  57  0  o 316.376 5.5684  54351.21   1908.11  56083.01   2699.68  52622.52   2697.26  320.972 7.7656  310.860 8.0110  10.11185       11.15710  
1 1 1 10  57  1  o 325.629 6.0726  57608.55   2141.74  56784.36   3294.68  58211.73   2818.52  322.559 9.4305  326.952 7.9592  -4.392639      12.34028  
1 1 1 10  57  2  o 289.763 5.1053  45576.32   1602.26  45326.76   2266.09  45825.80   2265.79  288.626 7.2489  290.219 7.2081  -1.592133      10.22270  
1 1 1 10  57  3  f 142.415 3.0916  10993.62   476.886  10690.32   673.471  11298.64   675.370  140.371 4.4297  144.316 4.3207  -3.944992      6.187944  
1 1 1 10  57  4  f 137.938 3.2945  10315.08   492.198  9471.22    716.437  11069.38   677.351  132.083 5.0080  142.834 4.3784  -10.75110      6.652067  
1 1 1 10  57  5  o 148.410 3.0029  11939.22   482.704  11679.60   686.679  12192.82   678.684  146.713 4.3213  149.911 4.1799  -3.198151      6.012061  
1 1 1 10  57  6  o 208.576 4.6031  23615.94   1039.89  24457.91   1815.34  23204.71   1268.67  211.770 7.9145  206.625 5.6688  5.144089       9.735241  
1 1 1 10  57  7  o 181.172 3.4602  17801.94   678.996  19071.47   1381.35  17397.48   779.691  187.122 6.8157  179.056 4.0203  8.066544       7.913053  
1 1 1 10  57  8  o 194.661 3.6846  20559.67   776.858  21471.37   1575.12  20266.61   893.031  198.377 7.3308  193.206 4.2675  5.170959       8.482471  
1 1 1 10  57  9  o 73.667  2.2306  2941.26    177.980  3198.88    280.397  2767.43    230.327  76.787  3.3715  71.435  2.9769  5.351471       4.497631  
1 1 1 10  57  10 o 71.523  2.6871  2774.06    208.158  2899.07    463.332  2742.45    232.995  72.689  5.9369  71.101  3.0255  1.587982       6.663374  
1 1 1 10  57  11 o 49.040  1.9741  1303.49    104.856  1584.32    381.761  1280.57    109.050  53.412  6.7497  48.605  2.0715  4.807556       7.060411  
1 1 1 10  57  12 o 42.633  1.5874  984.938    73.301   1068.91    85.522   752.508    142.287  44.409  1.7780  37.042  3.5916  7.367050       4.007659  
1 1 1 10  57  13 o 44.464  1.6045  1071.54    77.271   1169.45    89.135   775.428    155.015  46.447  1.7718  37.557  3.8660  8.890064       4.252675  
1 1 1 10  57  14 o 86.174  2.8653  4033.37    267.437  3242.59    608.590  4222.62    297.724  76.279  7.4618  88.149  3.1184  -11.86906      8.087215  
1 1 1 10  57  15 o 123.331 2.9943  8267.32    399.980  8194.44    860.500  8287.40    451.748  121.786 6.5476  123.419 3.3794  -1.633476      7.368265  
1 1 1 10  57  16 o 126.116 3.2046  8654.89    437.739  7415.42    909.927  9028.11    499.313  115.364 7.3202  128.730 3.5812  -13.36550      8.149201  
1 1 1 10  57  17 o 100.803 3.0703  5531.07    335.222  4936.98    707.756  5702.88    380.623  93.996  7.0021  102.291 3.4355  -8.295105      7.799479  
1 1 1 10  57  18 o 27.484  6.7931  436.867    201.063  -493.8650  422.269  709.747    228.645  17.327  8.2401  35.302  6.2065  -17.97479      10.31606  
1 1 1 10  57  19 o 20.394  6.7265  223.960    172.439  -467.9530  412.202  370.735    189.850  17.175  8.1603  25.309  6.7865  -8.133587      10.61351  
1 1 1 10  57  20 o 66.571  2.5685  2413.29    185.197  2221.42    529.569  2440.02    197.679  61.933  8.0877  66.915  2.7275  -4.982059      8.535275  
1 1 1 10  57  21 o 98.103  3.1640  5263.14    336.191  5236.75    698.732  5271.08    383.499  95.999  6.7633  98.032  3.6118  -2.033081      7.667296  
1 1 1 10  57  22 o 54.693  3.9670  1656.26    233.396  1739.03    493.018  1632.35    264.968  53.920  8.7413  54.103  4.5643  -0.1837006     9.861167  
1 1 1 10  57  23 o 85.114  3.3136  3983.21    305.477  3479.12    624.701  4141.63    350.203  76.832  7.6068  86.615  3.7330  -9.782478      8.473389  
1 1 1 10  57  24 o 65.037  3.8184  2361.50    267.792  2018.87    535.197  2475.93    309.295  56.420  9.0651  66.318  4.3297  -9.898170      10.04600  
1 1 1 10  57  25 o 21.787  8.4081  246.992    281.085  0.0000     0.0000   246.992    281.085  ?       ?       21.787  8.4081  0.000000       8.408140  
1 1 1 10  57  26 o 22.248  8.5741  274.915    291.977  0.0000     0.0000   274.915    291.977  ?       ?       22.248  8.5741  0.000000       8.574123  
1 1 1 10  57  27 o 17.941  8.0249  -2.6066    319.975  0.0000     0.0000   -2.6066    319.975  ?       ?       17.941  8.0249  0.000000       8.024946  
1 1 1 10  57  28 o 29.756  8.9664  635.395    312.854  0.0000     0.0000   635.395    312.854  ?       ?       29.756  8.9664  0.000000       8.966434  
1 1 1 10  58  0  o 96.984  2.7048  5097.24    284.126  5313.50    390.683  4854.44    413.956  98.993  3.6438  94.607  4.0398  4.386040       5.440307  
1 1 1 10  58  1  o 129.489 3.1034  9088.62    435.250  8862.68    615.554  9314.52    615.518  127.809 4.4467  131.032 4.3370  -3.223412      6.211505  
1 1 1 10  58  2  o 86.371  2.8184  4043.09    263.658  4014.23    372.109  4072.18    373.631  86.029  3.9935  86.649  3.9812  -0.6191864     5.638958  
1 1 1 10  58  3  o 123.973 3.0111  8330.88    404.312  7814.62    576.328  8831.17    567.344  120.007 4.4340  127.591 4.1054  -7.584854      6.042729  
1 1 1 10  58  4  o 171.197 3.3549  15890.71   622.078  15560.09   881.496  16218.73   878.016  169.301 4.8072  172.857 4.6897  -3.556107      6.715828  
1 1 1 10  58  5  o 278.058 4.7699  41977.58   1436.53  42500.37   2033.74  41457.02   2029.39  279.435 6.7196  275.969 6.7895  3.465759       9.552511  
1 1 1 10  58  6  o 144.121 3.6272  11266.48   566.200  11700.08   1076.04  11100.46   665.830  146.576 6.7779  143.009 4.2986  3.567307       8.026108  
1 1 1 10  58  7  o 199.775 3.9584  21659.01   856.497  21925.83   2148.37  21608.59   933.926  199.890 9.9231  199.502 4.3221  0.3882751      10.82355  
1 1 1 10  58  8  o 137.392 2.9055  10235.76   432.363  11841.97   897.012  9749.65    493.470  147.521 5.6140  134.058 3.3986  13.46277       6.562593  
1 1 1 10  58  9  f 90.983  2.6497  4488.48    261.117  4862.30    563.987  4386.48    294.592  94.339  5.5440  89.927  3.0246  4.412498       6.315335  
1 1 1 10  58  10 o 46.945  2.9257  1200.17    148.021  1172.68    359.819  1205.77    162.399  45.690  7.5336  47.028  3.2074  -1.337898      8.187912  
1 1 1 10  58  11 o 207.359 4.2134  23384.48   946.302  23442.11   1804.99  23362.63   1111.27  206.450 8.0722  207.094 4.9543  -0.6441040     9.471257  
1 1 1 10  58  12 o 157.002 3.3181  13390.55   564.249  14798.97   1181.52  12974.44   642.215  164.290 6.6399  154.462 3.8387  9.827393       7.669682  
1 1 1 10  58  13 o 161.257 3.2834  14132.46   573.466  15545.02   1186.57  13701.96   655.048  168.252 6.5112  158.684 3.8113  9.567673       7.544674  
1 1 1 10  58  14 o 64.946  2.2677  2288.73    159.515  2347.32    226.038  2230.61    225.141  65.711  3.1759  63.968  3.2604  1.743011       4.551542  
1 1 1 10  58  15 o 85.774  2.6924  3996.56    250.126  3789.19    618.054  4037.17    273.526  82.521  6.9804  86.184  2.9302  -3.662949      7.570501  
1 1 1 10  58  16 f 37.922  4.4333  796.727    178.651  1508.27    445.741  660.551    194.999  51.320  8.3026  34.273  5.4343  17.04736       9.922932  
1 1 1 10  58  17 o 22.329  6.5354  281.771    168.135  327.454    415.307  272.815    183.878  27.189  10.287  22.185  6.9103  5.004154       12.39216  
1 1 1 10  58  18 o 14.480  2.6222  117.551    39.611   -120.8237  416.851  119.723    39.792   20.663  9.2069  14.619  2.6087  6.043423       9.569306  
1 1 1 10  58  19 f 51.040  3.8363  1434.20    210.522  1059.06    472.405  1527.16    235.164  41.756  10.466  52.603  4.1615  -10.84725      11.26290  
1 1 1 10  58  20 o 18.493  6.7580  160.499    176.348  475.592    413.215  90.330     194.998  29.452  10.396  17.217  6.8924  12.23499       12.47355  
1 1 1 10  58  21 o 76.692  2.7742  3209.81    230.437  3004.81    584.680  3247.51    250.732  72.102  7.6015  77.091  3.0029  -4.989052      8.173092  
1 1 1 10  58  22 o 92.325  3.1644  4670.07    316.434  4521.44    664.325  4713.69    359.883  88.664  6.9741  92.602  3.5881  -3.938744      7.842965  
1 1 1 10  58  23 o 14.066  6.2514  -48.8599   190.930  448.676    414.390  -182.9474  215.125  28.000  10.339  13.084  6.1160  14.91671       12.01286  
1 1 1 10  58  24 o 25.447  7.9025  402.449    240.676  0.0000     0.0000   402.449    240.676  ?       ?       25.447  7.9025  0.000000       7.902476  
1 1 1 10  58  25 o 19.980  8.3089  138.128    296.915  0.0000     0.0000   138.128    296.915  ?       ?       19.980  8.3089  0.000000       8.308944  
1 1 1 10  58  26 o 16.618  7.4690  -44.1582   280.753  0.0000     0.0000   -44.1582   280.753  ?       ?       16.618  7.4690  0.000000       7.469049  
1 1 1 10  58  27 o 28.435  8.9239  565.312    306.004  0.0000     0.0000   565.312    306.004  ?       ?       28.435  8.9239  0.000000       8.923878  
1 1 1 10  58  28 o 24.917  8.9001  427.395    303.692  0.0000     0.0000   427.395    303.692  ?       ?       24.917  8.9001  0.000000       8.900135  
1 1 1 10  59  0  o 165.371 3.3387  14826.54   598.008  15545.93   847.144  14111.99   844.286  169.250 4.6212  161.240 4.8345  8.010635       6.687881  
1 1 1 10  59  1  o 144.094 3.0827  11254.97   481.110  10597.47   680.573  11911.78   680.213  139.746 4.4964  148.176 4.2384  -8.429291      6.179096  
1 1 1 10  59  2  o 209.100 3.9212  23715.80   888.060  23599.27   1256.27  23832.20   1255.55  208.419 5.5651  209.449 5.5346  -1.029694      7.848704  
1 1 1 10  59  3  o 160.402 3.4164  13950.82   593.534  12594.66   838.573  15312.24   840.197  152.290 5.0839  167.959 4.6186  -15.66867      6.868574  
1 1 1 10  59  4  o 138.759 3.1827  10439.05   478.326  9575.53    693.737  11221.58   660.403  132.798 4.8232  143.802 4.2401  -11.00464      6.421948  
1 1 1 10  59  5  o 85.864  2.6368  3996.08    245.224  4073.56    354.730  3925.16    339.377  86.654  3.7795  85.065  3.6835  1.589409       5.277599  
1 1 1 10  59  6  o 172.185 4.0121  16090.14   748.242  16428.06   1312.11  15927.29   910.864  173.609 6.9779  171.221 4.9117  2.388550       8.533217  
1 1 1 10  59  7  o 55.050  2.6843  1642.89    160.048  1890.80    394.527  1594.05    175.104  58.582  6.3178  54.135  2.9981  4.446892       6.993100  
1 1 1 10  59  8  o 117.009 2.6887  7423.51    340.747  9699.18    721.323  6769.81    386.602  133.549 4.9868  111.711 3.1952  21.83808       5.922598  
1 1 1 10  59  9  o 123.641 2.9136  8292.25    390.182  8729.23    810.645  8160.49    445.137  126.535 5.9149  122.622 3.3516  3.912537       6.798528  
1 1 1 10  59  10 o 117.428 2.8510  7481.18    362.611  7940.03    756.928  7344.52    413.097  120.636 5.7931  116.317 3.2790  4.318840       6.656677  
1 1 1 10  59  11 o 104.037 2.7274  5873.01    307.330  6332.92    658.509  5744.94    347.496  107.542 5.6735  102.866 3.1189  4.675591       6.474330  
1 1 1 10  59  12 o 148.721 3.2209  12016.06   518.828  12124.63   1081.55  11983.61   591.306  148.607 6.7195  148.449 3.6776  0.1576233      7.660040  
1 1 1 10  59  13 o 93.789  2.8130  4776.87    285.757  5471.96    649.324  4609.92    318.231  99.710  6.0409  92.099  3.1902  7.611122       6.831563  
1 1 1 10  59  14 o 130.148 3.1666  9209.19    446.372  9867.07    924.152  9009.01    509.781  133.917 6.3714  128.641 3.6588  5.276566       7.347211  
1 1 1 10  59  15 o 77.473  3.0527  3263.96    256.154  3862.38    574.864  3115.71    286.129  83.456  6.4087  75.644  3.4923  7.811363       7.298453  
1 1 1 10  59  16 o 107.988 3.0404  6345.62    355.609  6269.30    755.194  6367.36    403.096  106.210 6.5975  108.100 3.4428  -1.890862      7.441742  
1 1 1 10  59  17 f 12.834  5.9241  -147.9562  192.282  -255.7562  399.621  -115.4800  219.342  18.794  8.6256  14.421  6.5303  4.372304       10.81880  
1 1 1 10  59  18 o 48.507  4.7711  1305.63    247.417  1496.85    469.397  1232.06    291.146  50.610  8.8874  46.816  5.8709  3.793858       10.65144  
1 1 1 10  59  19 f 69.645  3.2751  2648.98    247.053  2439.90    540.126  2704.29    277.818  65.179  7.8063  70.202  3.6665  -5.022186      8.624444  
1 1 1 10  59  20 o 15.291  6.3578  38.523     173.793  193.661    407.625  4.0573     192.131  24.370  9.8911  15.262  6.5310  9.107727       11.85279  
1 1 1 10  59  21 o 64.016  2.6295  2234.97    182.320  1668.79    530.473  2310.80    194.147  52.429  9.6987  65.071  2.7547  -12.64175      10.08236  
1 1 1 10  59  22 o 19.876  1.4423  215.622    30.840   -61.5312   419.297  217.130    30.923   20.859  9.2677  19.946  1.4411  0.9128132      9.379075  
1 1 1 10  59  23 o 34.860  5.5397  705.290    202.163  387.931    446.743  787.015    226.704  27.087  10.559  36.708  5.9020  -9.621500      12.09648  
1 1 1 10  59  24 o 48.317  5.1344  1347.06    264.581  0.0000     0.0000   1347.06    264.581  ?       ?       48.317  5.1344  0.000000       5.134426  
1 1 1 10  59  25 o 18.531  7.6901  111.542    253.581  0.0000     0.0000   111.542    253.581  ?       ?       18.531  7.6901  0.000000       7.690120  
1 1 1 10  59  26 o 17.184  7.5411  19.756     269.595  0.0000     0.0000   19.756     269.595  ?       ?       17.184  7.5411  0.000000       7.541148  
1 1 1 10  59  27 o 19.308  8.3748  97.390     324.250  0.0000     0.0000   97.390     324.250  ?       ?       19.308  8.3748  0.000000       8.374780  
1 1 1 10  59  28 o 19.563  8.1706  163.799    288.887  0.0000     0.0000   163.799    288.887  ?       ?       19.563  8.1706  0.000000       8.170609  
1 1 1 10  60  0  o 196.307 3.8735  20902.65   823.589  21556.87   1165.86  20250.97   1163.60  199.207 5.4035  193.061 5.5647  6.146149       7.756496  
1 1 1 10  60  1  o 165.177 3.3869  14793.63   605.922  14011.88   856.462  15576.99   857.344  160.643 4.9224  169.400 4.6727  -8.756134      6.787074  
1 1 1 10  60  2  o 183.153 3.6047  18192.62   715.088  18445.65   1011.01  17939.32   1011.57  184.293 5.0649  181.739 5.1390  2.554611       7.215454  
1 1 1 10  60  3  o 93.280  2.6867  4716.11    271.446  4525.64    382.403  4909.56    385.379  91.336  3.8655  95.137  3.7400  -3.800514      5.378625  
1 1 1 10  60  4  o 173.157 3.5161  16262.19   659.428  15328.06   933.495  17192.64   931.652  167.966 5.1312  177.921 4.8346  -9.955292      7.049997  
1 1 1 10  60  5  o 159.980 3.1848  13878.90   551.849  13705.56   783.989  14049.13   776.925  158.866 4.5563  160.854 4.4594  -1.988235      6.375417  
1 1 1 10  60  6  o 183.112 4.5791  18213.51   908.159  19526.46   1896.45  17822.84   1034.49  188.708 9.2785  181.047 5.2755  7.661087       10.67344  
1 1 1 10  60  7  o 123.192 2.9258  8230.27    390.387  7823.32    812.422  8352.45    445.148  119.643 6.2915  124.079 3.3124  -4.435600      7.110143  
1 1 1 10  60  8  o 86.313  2.7089  4040.01    253.247  4266.96    550.801  3979.17    285.177  88.305  5.7909  85.644  3.0743  2.661217       6.556402  
1 1 1 10  60  9  o 29.541  3.5322  480.542    110.775  151.298    312.601  527.824    118.462  22.198  8.7781  30.970  3.5986  -8.772326      9.487115  
1 1 1 10  60  10 f 87.082  2.6715  4113.93    251.973  4370.04    543.279  4043.73    284.414  89.309  5.6454  86.314  3.0423  2.995232       6.412992  
1 1 1 10  60  11 o 85.138  2.5495  3932.68    235.095  4691.68    617.546  3804.04    254.238  92.372  6.2085  83.718  2.8038  8.654030       6.812297  
1 1 1 10  60  12 o 45.569  3.1764  1133.69    155.796  1058.08    459.414  1143.51    165.610  42.680  10.096  45.745  3.3662  -3.064610      10.64253  
1 1 1 10  60  13 o 125.346 3.1038  8538.94    421.381  8891.56    885.857  8435.82    479.048  127.005 6.4611  124.519 3.5520  2.485580       7.373127  
1 1 1 10  60  14 o 67.018  2.4055  2438.14    174.611  2820.66    520.725  2389.68    185.341  71.181  6.8383  66.337  2.5796  4.843987       7.308702  
1 1 1 10  60  15 o 52.812  3.5668  1526.34    202.829  1262.15    482.727  1582.98    223.518  46.410  9.9049  53.740  3.8660  -7.329609      10.63265  
1 1 1 10  60  16 o 23.824  6.2583  325.131    163.574  -374.6029  424.306  447.277    177.277  18.422  8.6041  27.951  6.0327  -9.528374      10.50831  
1 1 1 10  60  17 o 99.656  3.3390  5414.65    360.408  5063.08    703.429  5539.79    419.678  95.114  6.8745  100.690 3.8482  -5.576797      7.878293  
1 1 1 10  60  18 o 116.102 3.5691  7365.40    448.812  6712.63    757.588  7718.39    557.096  109.589 6.4105  118.601 4.3368  -9.011841      7.739651  
1 1 1 10  60  19 o 20.734  1.5071  234.461    33.613   605.750    421.406  232.083    33.720   32.205  10.510  20.626  1.5201  11.57893       10.61952  
1 1 1 10  60  20 o 42.383  4.4972  1001.79    203.291  1013.15    459.006  999.013    226.742  40.485  10.410  42.163  5.0666  -1.677521      11.57724  
1 1 1 10  60  21 o 63.213  3.4945  2198.26    238.323  1438.13    526.355  2394.28    267.292  48.126  10.401  65.899  3.7605  -17.77278      11.06016  
1 1 1 10  60  22 o 36.733  5.3434  771.902    206.359  601.555    449.445  817.406    232.291  31.397  10.858  37.613  5.8958  -6.215425      12.35561  
1 1 1 10  60  23 o 25.922  1.4498  366.371    40.540   -277.3593  430.849  372.121    40.721   18.533  8.6605  26.126  1.4447  -7.592924      8.780208  
1 1 1 10  60  24 o 40.448  7.0849  1001.09    299.076  0.0000     0.0000   1001.09    299.076  ?       ?       40.448  7.0849  0.000000       7.084880  
1 1 1 10  60  25 o 21.585  8.1308  257.842    258.777  0.0000     0.0000   257.842    258.777  ?       ?       21.585  8.1308  0.000000       8.130783  
1 1 1 10  60  26 o 30.180  8.3380  611.049    281.590  0.0000     0.0000   611.049    281.590  ?       ?       30.180  8.3380  0.000000       8.337956  
1 1 1 10  60  27 o 22.434  8.5646  308.510    289.540  0.0000     0.0000   308.510    289.540  ?       ?       22.434  8.5646  0.000000       8.564588  
1 1 1 10  61  0  o 428.659 7.3639  100127.80  3418.93  100998.50  4835.84  99257.66   4834.35  429.201 10.403  425.442 10.491  3.759583       14.77429  
1 1 1 10  61  1  o 196.569 3.8440  20961.41   818.397  20939.81   1157.50  20983.00   1157.28  196.298 5.4442  196.501 5.4375  -0.2031555     7.694565  
1 1 1 10  61  2  o 162.828 3.4421  14378.78   607.055  13801.68   858.106  14956.95   858.904  159.404 4.9702  165.960 4.7783  -6.556076      6.894539  
1 1 1 10  61  3  o 197.855 3.7800  21238.25   810.033  21051.34   1145.79  21425.02   1145.33  196.800 5.3754  198.546 5.3260  -1.745636      7.567084  
1 1 1 10  61  4  o 155.502 3.2582  13113.97   548.756  13066.45   777.924  13161.04   774.206  155.107 4.6306  155.671 4.5917  -0.5642090     6.521226  
1 1 1 10  61  5  o 134.085 3.0506  9749.71    443.032  9435.05    630.665  10056.27   622.499  131.806 4.4177  136.092 4.2231  -4.286652      6.111519  
1 1 1 10  61  6  o 118.712 3.3335  7645.52    428.611  7668.86    765.946  7634.87    517.164  118.508 5.9867  118.580 4.0267  -0.7209015E-01 7.214883  
1 1 1 10  61  7  o 177.095 3.5160  17022.25   674.411  18393.39   1372.36  16585.70   774.366  183.508 6.9047  174.741 4.0915  8.767883       8.025876  
1 1 1 10  61  8  o 152.894 3.3488  12688.18   554.558  12531.61   1282.59  12724.18   615.018  150.984 7.8703  153.072 3.7096  -2.087433      8.700718  
1 1 1 10  61  9  o 114.155 2.8498  7070.37    352.358  7474.24    736.482  6950.49    401.263  117.024 5.8105  113.149 3.2742  3.875290       6.669549  
1 1 1 10  61  10 o 103.136 2.6259  5771.01    293.335  8029.59    710.189  5306.45    322.093  121.298 5.4057  98.869  3.0078  22.42822       6.186141  
1 1 1 10  61  11 o 22.014  4.9060  274.705    113.986  -260.7134  427.092  315.767    118.276  19.753  9.0096  23.646  4.7825  -3.893246      10.20029  
1 1 1 10  61  12 o 44.047  3.3771  1060.93    159.886  1225.98    457.739  1037.99    170.633  46.082  9.4870  43.529  3.6530  2.553596       10.16605  
1 1 1 10  61  13 o 61.721  2.3179  2067.27    154.955  2434.26    506.898  2029.44    162.745  66.023  7.2055  61.146  2.4574  4.877312       7.613014  
1 1 1 10  61  14 o 89.295  2.9430  4334.34    284.631  4482.84    627.145  4295.82    319.424  89.947  6.4809  88.852  3.3192  1.094276       7.281382  
1 1 1 10  61  15 o 112.383 3.0611  6871.83    372.610  5994.44    784.564  7127.37    423.409  103.718 7.0254  114.388 3.4175  -10.66991      7.812521  
1 1 1 10  61  16 o 52.561  3.5397  1513.24    200.340  2051.09    487.084  1403.72    219.793  60.137  7.6514  50.524  4.0505  9.612770       8.657412  
1 1 1 10  61  17 o 12.026  2.1019  80.824     26.381   313.456    412.724  79.870     26.435   26.790  10.226  11.950  2.1200  14.83932       10.44337  
1 1 1 10  61  18 o 64.234  4.1009  2271.14    283.822  2127.43    530.486  2328.77    335.948  60.679  8.2884  64.851  4.8173  -4.171333      9.586646  
1 1 1 10  61  19 o 25.438  6.5534  376.569    181.672  103.678    428.065  436.520    200.637  23.555  9.8991  27.339  6.8030  -3.784031      12.01136  
1 1 1 10  61  20 o 34.559  5.1116  676.160    185.559  830.318    445.100  643.732    204.145  36.656  10.606  33.491  5.8402  3.164974       12.10775  
1 1 1 10  61  21 o 98.849  3.1562  5350.50    337.916  5242.54    702.278  5383.02    385.474  95.729  6.8178  98.987  3.5954  -3.257500      7.707702  
1 1 1 10  61  22 o 60.447  3.7158  2024.78    242.095  2075.04    517.767  2010.72    273.878  58.617  8.3950  60.032  4.2394  -1.414455      9.404725  
1 1 1 10  61  23 o 26.625  7.0016  434.637    204.598  249.354    438.444  486.216    231.330  24.499  10.135  27.996  7.4846  -3.497725      12.59891  
1 1 1 10  61  24 o 25.546  8.5102  409.741    275.764  0.0000     0.0000   409.741    275.764  ?       ?       25.546  8.5102  0.000000       8.510180  
1 1 1 10  61  25 o 16.145  7.2835  -62.9818   269.918  0.0000     0.0000   -62.9818   269.918  ?       ?       16.145  7.2835  0.000000       7.283458  
1 1 1 10  61  26 o 21.758  8.5292  261.030    292.742  0.0000     0.0000   261.030    292.742  ?       ?       21.758  8.5292  0.000000       8.529214  
1 1 1 10  61  27 o 15.721  7.2775  -125.4513  293.279  0.0000     0.0000   -125.4513  293.279  ?       ?       15.721  7.2775  0.000000       7.277516  
1 1 1 10  62  0  o 139.004 3.3186  10478.40   499.635  10378.05   726.029  10568.68   688.634  138.229 4.8494  139.516 4.5571  -1.287750      6.654629  
1 1 1 10  62  1  o 172.251 3.5652  16094.30   665.146  15412.75   940.114  16777.44   941.204  168.416 5.1538  175.737 4.9448  -7.321533      7.142328  
1 1 1 10  62  2  o 141.358 3.1627  10835.71   484.232  10264.03   702.600  11352.93   668.302  137.467 4.7189  144.614 4.2667  -7.146927      6.361804  
1 1 1 10  62  3  o 184.582 3.5602  18483.43   711.766  18040.39   1006.40  18926.81   1006.78  182.188 5.1001  186.626 4.9807  -4.437790      7.128741  
1 1 1 10  62  4  o 100.526 2.7681  5478.84    301.388  5252.58    427.612  5702.19    424.855  98.366  4.0136  102.501 3.8269  -4.134750      5.545616  
1 1 1 10  62  5  o 303.481 5.2319  50098.96   1719.72  49193.29   2433.76  51002.10   2430.35  300.031 7.4893  305.550 7.3437  -5.519226      10.48907  
1 1 1 10  62  6  o 178.237 4.0906  17255.47   789.687  17830.59   1384.16  16977.94   961.525  180.650 7.0742  176.664 5.0251  3.985474       8.677331  
1 1 1 10  62  7  o 191.508 3.6611  19913.84   759.389  19760.14   1539.10  19963.29   873.057  189.979 7.4798  191.666 4.2056  -1.686584      8.581082  
1 1 1 10  62  8  o 82.312  2.6972  3675.11    240.465  3503.33    523.380  3721.08    270.731  79.874  6.0958  82.809  3.0185  -2.934235      6.802232  
1 1 1 10  62  9  o 124.162 2.8008  8365.26    376.651  10128.31   785.799  7839.38    429.164  136.270 5.3240  120.150 3.2978  16.11937       6.262678  
1 1 1 10  62  10 o 92.309  2.7726  4624.73    277.202  4925.73    657.210  4559.60    305.728  94.592  6.4533  91.632  3.0805  2.959442       7.150810  
1 1 1 10  62  11 o 53.883  3.0068  1581.83    174.783  1353.71    488.370  1615.33    187.181  48.480  9.6401  54.433  3.1888  -5.952679      10.15382  
1 1 1 10  62  12 o 36.262  4.1009  725.448    158.237  705.082    443.284  728.422    169.397  35.178  10.689  36.288  4.4000  -1.109272      11.55956  
1 1 1 10  62  13 o 47.195  2.2990  1208.81    117.520  1546.48    470.860  1186.38    121.361  52.027  8.6604  46.689  2.4081  5.337715       8.988984  
1 1 1 10  62  14 o 20.909  6.3737  242.388    157.417  39.331     414.148  276.680    170.191  22.779  9.6633  22.218  6.5949  0.5607967      11.69924  
1 1 1 10  62  15 o 51.887  3.6274  1474.91    202.572  1627.43    471.668  1440.41    224.313  53.263  8.4588  51.195  4.0792  2.067116       9.391023  
1 1 1 10  62  16 o 89.296  3.0072  4340.86    290.844  4758.88    642.598  4233.16    326.165  92.422  6.4600  88.115  3.4176  4.307594       7.308300  
1 1 1 10  62  17 o 67.493  3.8198  2498.73    278.092  2401.30    536.529  2534.52    325.182  64.879  7.7910  67.823  4.4514  -2.944191      8.972956  
1 1 1 10  62  18 o 60.039  4.2384  1988.54    273.848  1714.08    515.107  2096.67    323.325  53.944  9.1428  61.473  4.8967  -7.529167      10.37150  
1 1 1 10  62  19 o 60.697  3.5155  2023.48    230.123  2086.29    512.371  2007.61    257.563  59.907  8.1047  60.344  3.9628  -0.4373703     9.021605  
1 1 1 10  62  20 o 36.202  1.8489  713.963    72.256   732.894    449.783  713.462    73.206   34.599  10.813  36.186  1.8743  -1.587479      10.97401  
1 1 1 10  62  21 o 89.502  3.2227  4391.62    312.411  3716.53    656.555  4589.21    355.199  79.799  7.6916  91.360  3.5896  -11.56110      8.487961  
1 1 1 10  62  22 o 15.278  6.4998  22.769     188.294  -148.7812  421.048  65.654     210.518  19.678  8.9639  16.882  7.0063  2.796148       11.37722  
1 1 1 10  62  23 o 36.260  6.0703  780.427    229.977  0.0000     0.0000   780.427    229.977  ?       ?       36.260  6.0703  0.000000       6.070330  
1 1 1 10  62  24 o 45.906  5.9709  1247.66    289.853  0.0000     0.0000   1247.66    289.853  ?       ?       45.906  5.9709  0.000000       5.970878  
1 1 1 10  62  25 o 34.896  7.6165  778.248    279.794  0.0000     0.0000   778.248    279.794  ?       ?       34.896  7.6165  0.000000       7.616523  
1 1 1 10  62  26 o 18.987  7.8787  139.296    266.135  0.0000     0.0000   139.296    266.135  ?       ?       18.987  7.8787  0.000000       7.878697  
1 1 1 10  62  27 o 21.645  8.3662  274.236    278.622  0.0000     0.0000   274.236    278.622  ?       ?       21.645  8.3662  0.000000       8.366176  
1 1 1 10  63  0  o 180.173 3.5592  17610.77   694.560  18298.82   983.031  16924.89   981.483  183.510 4.9458  176.463 5.1352  7.046860       7.129611  
1 1 1 10  63  1  f 271.713 4.7417  40108.43   1395.44  39600.46   1973.85  40615.98   1973.04  269.547 6.7610  273.004 6.6726  -3.457031      9.499210  
1 1 1 10  63  2  o 238.233 4.3243  30819.97   1115.79  31518.30   1578.86  30123.20   1577.08  240.600 6.0587  235.187 6.1911  5.412979       8.662423  
1 1 1 10  63  3  o 81.090  2.4169  3564.25    212.276  3484.51    275.101  3681.59    333.728  80.152  3.1689  82.362  3.7411  -2.210403      4.902798  
1 1 1 10  63  4  f 190.652 3.7888  19731.18   782.363  18144.39   1107.39  21312.47   1105.47  182.569 5.6002  197.944 5.1562  -15.37555      7.612435  
1 1 1 10  63  5  o 123.271 3.0803  8243.19    411.259  8024.44    585.039  8456.88    578.238  121.513 4.4452  124.760 4.2792  -3.247269      6.170199  
1 1 1 10  63  6  o 90.376  2.7361  4429.71    267.830  4369.54    384.424  4486.47    373.357  89.689  3.9573  90.892  3.7925  -1.203384      5.481204  
1 1 1 10  63  7  o 66.073  3.0524  2368.97    218.441  2799.86    424.869  2214.14    254.679  71.456  5.5328  63.740  3.7050  7.716450       6.658747  
1 1 1 10  63  8  o 67.851  2.6718  2497.50    196.352  2535.35    443.003  2488.24    219.043  67.850  6.0932  67.710  2.9868  0.1395493      6.785847  
1 1 1 10  63  9  o 127.428 2.9610  8815.02    408.677  9895.09    899.240  8533.87    458.794  134.467 6.1743  125.334 3.3797  9.133194       7.038788  
1 1 1 10  63  10 o 97.650  2.7125  5175.67    286.884  6176.61    664.321  4946.21    318.071  106.093 5.8032  95.430  3.0773  10.66316       6.568678  
1 1 1 10  63  11 o 125.397 3.0711  8543.27    417.107  7863.59    884.787  8737.49    472.959  119.346 6.8739  126.762 3.4448  -7.415733      7.688738  
1 1 1 10  63  12 f 77.092  2.9741  3229.29    248.331  3339.98    573.879  3203.79    275.455  77.548  6.9047  76.756  3.3134  0.7917175      7.658577  
1 1 1 10  63  13 f 65.948  2.5234  2361.62    180.244  2711.47    531.306  2316.12    191.607  69.668  7.1421  65.296  2.7093  4.372284       7.638662  
1 1 1 10  63  14 o 16.648  6.2700  113.543    153.873  58.104     409.138  122.676    166.065  22.887  9.6511  17.286  6.5130  5.601112       11.64316  
1 1 1 10  63  15 o 81.593  3.0716  3623.55    271.447  3011.23    593.971  3785.20    305.181  73.082  7.6157  83.348  3.3806  -10.26627      8.332300  
1 1 1 10  63  16 o 76.391  3.0881  3178.66    255.503  3032.61    574.888  3214.60    285.220  73.306  7.3392  76.769  3.4302  -3.463593      8.101275  
1 1 1 10  63  17 o 67.311  3.8201  2486.47    277.354  2409.10    542.945  2513.78    322.625  64.883  7.8883  67.526  4.4359  -2.643730      9.050006  
1 1 1 10  63  18 o 66.949  3.7909  2462.67    273.756  2655.07    542.965  2397.09    316.997  68.164  7.4771  65.864  4.4701  2.300697       8.711443  
1 1 1 10  63  19 o 38.038  4.8322  812.186    194.589  874.942    456.158  798.226    215.147  37.661  10.687  37.528  5.4527  0.1338425      11.99774  
1 1 1 10  63  20 o 12.392  5.7010  -122.1708  175.992  -88.5119   414.414  -129.5769  194.393  20.622  9.1849  13.076  6.0069  7.545488       10.97479  
1 1 1 10  63  21 f 31.100  2.4782  531.153    82.784   643.677    462.112  527.422    84.146   32.328  11.016  30.981  2.5297  1.346815       11.30299  
1 1 1 10  63  22 o 49.967  4.0698  1398.24    218.344  950.765    490.114  1509.04    243.883  37.396  11.212  51.785  4.3895  -14.38906      12.04102  
1 1 1 10  63  23 o 34.793  7.0848  742.749    257.914  0.0000     0.0000   742.749    257.914  ?       ?       34.793  7.0848  0.000000       7.084803  
1 1 1 10  63  24 o 15.714  7.1247  -83.5745   262.021  0.0000     0.0000   -83.5745   262.021  ?       ?       15.714  7.1247  0.000000       7.124727  
1 1 1 10  63  25 o 18.197  7.8119  70.426     276.465  0.0000     0.0000   70.426     276.465  ?       ?       18.197  7.8119  0.000000       7.811923  
1 1 1 10  63  26 o 37.298  8.0517  920.686    315.742  0.0000     0.0000   920.686    315.742  ?       ?       37.298  8.0517  0.000000       8.051713  
1 1 1 10  63  27 o 18.346  7.8052  104.409    271.537  0.0000     0.0000   104.409    271.537  ?       ?       18.346  7.8052  0.000000       7.805235  
1 1 1 10  64  0  o 161.621 3.4024  14171.28   595.592  14284.15   842.184  14058.35   842.405  162.121 4.7962  160.830 4.8360  1.291199       6.811028  
1 1 1 10  64  1  o 113.056 2.8059  6930.55    343.592  7084.22    486.927  6778.15    484.903  114.234 3.9355  111.734 4.0068  2.499962       5.616256  
1 1 1 10  64  2  o 192.244 3.6578  20058.31   761.633  19947.86   1077.14  20168.76   1077.08  191.503 5.1931  192.565 5.1642  -1.062149      7.323750  
1 1 1 10  64  3  o 14.330  5.0388  97.864     96.978   53.657     132.261  149.267    142.620  14.217  5.6816  17.540  6.1137  -3.323668      8.346172  
1 1 1 10  64  4  o 373.805 6.3806  76232.05   2583.32  74857.63   3654.32  77605.05   3652.42  368.993 9.1436  375.807 8.9732  -6.814453      12.81108  
1 1 1 10  64  5  o 122.648 2.8692  8159.46    381.141  8006.83    543.322  8307.34    534.809  121.391 4.1324  123.661 3.9930  -2.270638      5.746327  
1 1 1 10  64  6  o 172.903 3.6077  16235.26   675.613  15169.85   957.979  17289.55   952.963  166.863 5.3006  178.211 4.9371  -11.34793      7.243705  
1 1 1 10  64  7  o 29.261  4.4375  476.279    136.226  301.224    314.118  516.828    151.182  25.256  9.0484  30.456  4.7370  -5.200006      10.21336  
1 1 1 10  64  8  o 107.035 2.8403  6217.63    329.274  6394.44    747.397  6175.04    366.789  107.885 6.4252  106.639 3.1756  1.246300       7.167173  
1 1 1 10  64  9  o 162.559 3.3027  14357.09   581.510  14670.34   1211.22  14263.25   662.908  163.458 6.8414  161.946 3.7793  1.511795       7.815874  
1 1 1 10  64  10 o 125.747 2.9980  8588.45    408.323  8843.35    849.791  8511.94    465.593  126.994 6.1781  125.128 3.4354  1.866142       7.069071  
1 1 1 10  64  11 o 184.498 3.6245  18521.47   724.283  19340.63   1481.59  18264.23   830.252  187.186 7.3078  183.068 4.1872  4.118011       8.422377  
1 1 1 10  64  12 o 33.169  4.5699  611.772    159.816  615.625    441.272  611.190    171.456  33.264  10.748  33.082  4.9361  0.1822624      11.82723  
1 1 1 10  64  13 o 134.294 3.2777  9814.11    476.749  9363.04    1012.21  9942.71    540.448  129.779 7.2298  135.083 3.6939  -5.303085      8.118765  
1 1 1 10  64  14 o 106.318 2.9943  6148.94    344.802  6223.77    740.666  6128.24    389.592  105.904 6.4884  106.072 3.3911  -0.1672058     7.321125  
1 1 1 10  64  15 o 60.976  3.2336  2030.90    212.794  1773.18    507.025  2086.00    234.440  55.468  8.7279  61.752  3.5198  -6.284035      9.410950  
1 1 1 10  64  16 o 35.061  2.3491  671.054    88.692   744.059    449.430  668.096    90.471   35.480  10.759  34.977  2.4027  0.5023346      11.02435  
1 1 1 10  64  17 o 126.114 3.7031  8700.13    505.823  8354.85    905.508  8856.74    609.842  121.927 6.8849  126.970 4.4345  -5.042358      8.189473  
1 1 1 10  64  18 o 87.801  3.1239  4208.85    297.073  4031.47    573.263  4273.98    347.351  84.679  6.2955  88.352  3.6298  -3.673798      7.266921  
1 1 1 10  64  19 o 76.001  3.2926  3159.83    271.034  3472.35    588.421  3075.66    305.356  78.015  7.0396  74.771  3.7828  3.243553       7.991583  
1 1 1 10  64  20 f 17.605  6.7717  125.891    181.852  657.048    427.865  8.7870     200.900  32.810  10.582  15.615  6.6800  17.19590       12.51365  
1 1 1 10  64  21 o 29.944  5.6522  521.606    176.596  116.381    448.417  595.992    192.122  23.503  10.015  32.024  5.7503  -8.520725      11.54884  
1 1 1 10  64  22 o 19.582  1.9060  210.978    39.914   454.814    438.547  208.941    40.080   27.837  10.561  19.484  1.9244  8.353825       10.73508  
1 1 1 10  64  23 o 46.059  6.2130  1257.90    302.041  0.0000     0.0000   1257.90    302.041  ?       ?       46.059  6.2130  0.000000       6.213037  
1 1 1 10  64  24 o 24.163  8.5214  358.616    277.544  0.0000     0.0000   358.616    277.544  ?       ?       24.163  8.5214  0.000000       8.521383  
1 1 1 10  64  25 o 39.507  6.9879  974.640    288.076  0.0000     0.0000   974.640    288.076  ?       ?       39.507  6.9879  0.000000       6.987911  
1 1 1 10  64  26 o 20.640  7.8493  241.917    242.604  0.0000     0.0000   241.917    242.604  ?       ?       20.640  7.8493  0.000000       7.849280  
1 1 1 10  65  0  o 187.289 3.8383  19043.87   778.611  17894.52   1164.36  19973.51   1047.18  181.235 5.9317  191.632 5.0452  -10.39670      7.787117  
1 1 1 10  65  1  o 43.910  3.0888  1051.03    145.964  1054.10    209.702  1048.15    203.294  43.816  4.4819  43.708  4.3522  0.1082306      6.247334  
1 1 1 10  65  2  o 21.399  1.6056  249.503    36.942   246.579    37.957   302.005    160.845  21.268  1.6609  23.152  6.2629  -1.883217      6.479391  
1 1 1 10  65  3  o 59.145  2.8043  1897.22    179.644  1727.66    253.059  2069.48    255.063  56.236  4.1847  61.614  3.8412  -5.377895      5.680344  
1 1 1 10  65  4  o 175.635 3.3529  16743.21   637.823  16654.98   903.212  16830.98   900.828  174.971 4.7660  175.899 4.7283  -0.9283600     6.713565  
1 1 1 10  65  5  o 70.187  2.7825  2672.30    211.527  2301.95    306.842  3007.68    291.997  64.915  4.3900  74.418  3.6227  -9.503304      5.691721  
1 1 1 10  65  6  o 228.136 4.1044  28298.22   1014.17  27651.71   1437.13  28939.58   1431.40  225.039 5.8962  230.269 5.7393  -5.230362      8.228222  
1 1 1 10  65  7  o 85.467  2.7668  3963.75    256.121  3889.50    386.702  4021.78    341.851  84.551  4.2227  86.025  3.6689  -1.474693      5.593930  
1 1 1 10  65  8  o 65.950  2.7346  2360.48    195.334  2513.17    536.095  2337.10    209.753  67.185  7.4948  65.611  2.9516  1.574661       8.055107  
1 1 1 10  65  9  o 54.746  2.0747  1625.28    123.018  1716.68    155.283  1471.24    201.589  56.244  2.5490  51.892  3.6092  4.352962       4.418589  
1 1 1 10  65  10 o 8.2781  3.9998  -174.3374  108.686  43.583     411.345  -190.6930  112.691  22.890  9.6660  8.3010  4.0257  14.58893       10.47082  
1 1 1 10  65  11 o 80.571  2.9786  3527.31    259.929  3793.75    598.737  3465.44    288.537  82.732  6.7404  79.827  3.3372  2.905281       7.521254  
1 1 1 10  65  12 o 60.357  3.2249  1987.09    210.059  1542.25    511.882  2077.17    230.348  51.660  9.4985  61.681  3.4620  -10.02084      10.10970  
1 1 1 10  65  13 o 185.261 3.9127  18722.36   785.111  19249.56   1528.38  18533.38   915.072  186.006 7.5864  184.074 4.5898  1.931717       8.866760  
1 1 1 10  65  14 o 82.217  2.9970  3677.89    266.882  3539.83    599.792  3711.97    298.008  79.540  7.0347  82.552  3.3330  -3.011353      7.784317  
1 1 1 10  65  15 f 61.096  3.2610  2039.87    215.010  1845.99    510.239  2081.73    237.088  56.608  8.5918  61.668  3.5648  -5.059971      9.302000  
1 1 1 10  65  16 o 88.528  2.7676  4266.08    265.373  3940.56    637.053  4334.43    291.905  83.627  7.1005  89.190  3.0217  -5.563721      7.716690  
1 1 1 10  65  17 o 50.996  4.4327  1439.70    242.401  1530.90    498.540  1411.46    277.398  50.819  9.4037  50.296  5.1655  0.5236168      10.72904  
1 1 1 10  65  18 o 93.793  3.2922  4809.12    334.443  4472.23    681.968  4915.79    383.758  88.663  7.1627  94.698  3.7415  -6.035614      8.081048  
1 1 1 10  65  19 o 116.185 3.1718  7380.87    399.140  6809.13    833.972  7550.74    454.584  109.338 7.0802  117.362 3.5761  -8.023964      7.932119  
1 1 1 10  65  20 f 83.006  3.2396  3776.59    291.251  3036.41    623.838  3982.89    329.348  71.805  8.1666  85.132  3.5718  -13.32729      8.913541  
1 1 1 10  65  21 o 49.214  4.0645  1352.81    214.716  1474.47    496.551  1324.83    238.130  48.162  9.8511  48.500  4.5877  -0.3377037     10.86698  
1 1 1 10  65  22 o 24.492  7.6408  366.423    224.708  0.0000     0.0000   366.423    224.708  ?       ?       24.492  7.6408  0.000000       7.640766  
1 1 1 10  65  23 o 13.951  6.4418  -136.8729  227.658  0.0000     0.0000   -136.8729  227.658  ?       ?       13.951  6.4418  0.000000       6.441847  
1 1 1 10  65  24 o 24.117  7.7984  365.218    232.278  0.0000     0.0000   365.218    232.278  ?       ?       24.117  7.7984  0.000000       7.798427  
1 1 1 10  65  25 o 28.213  8.3420  532.379    272.716  0.0000     0.0000   532.379    272.716  ?       ?       28.213  8.3420  0.000000       8.342047  
1 1 1 10  65  26 o 19.637  7.9924  175.920    267.047  0.0000     0.0000   175.920    267.047  ?       ?       19.637  7.9924  0.000000       7.992355  
1 1 1 10  66  0  o 99.382  2.8536  5356.95    307.164  5206.86    434.825  5506.45    433.966  97.901  4.1007  100.687 3.9793  -2.786270      5.714099  
1 1 1 10  66  1  o 55.005  2.9182  1645.76    173.232  1424.71    247.376  1858.48    242.667  50.993  4.5260  58.372  3.8601  -7.378593      5.948540  
1 1 1 10  66  2  o 187.235 3.6537  19035.49   740.948  19147.09   1048.39  18924.12   1047.32  187.537 5.1614  186.437 5.1866  1.099945       7.317123  
1 1 1 10  66  3  o 137.479 3.1190  10256.31   464.432  9618.59    656.846  10893.88   656.767  132.983 4.5603  141.560 4.2835  -8.577499      6.256610  
1 1 1 10  66  4  o 114.104 2.7428  7062.72    338.970  7077.51    479.339  7047.92    479.412  114.129 3.8777  113.889 3.8865  0.2396927      5.490129  
1 1 1 10  66  5  o 28.489  3.9879  449.698    119.680  276.359    184.710  575.126    157.122  22.468  6.9140  32.180  4.6423  -9.711102      8.327951  
1 1 1 10  66  6  o 72.682  2.9317  2867.25    230.790  2204.27    329.007  3509.53    323.827  63.427  4.8254  80.357  3.7207  -16.93036      6.093238  
1 1 1 10  66  7  o 78.650  3.2730  3360.11    278.811  3353.29    591.574  3362.05    316.122  77.828  7.0958  78.639  3.7115  -0.8105469     8.007827  
1 1 1 10  66  8  o 29.526  1.0433  472.281    33.366   493.518    34.382   128.598    138.313  30.183  1.0517  16.694  6.0018  13.48816       6.093238  
1 1 1 10  66  9  o 157.601 3.3037  13500.37   563.941  14956.41   1173.27  13062.91   643.102  164.997 6.5652  154.929 3.8325  10.06821       7.601973  
1 1 1 10  66  10 o 183.145 3.6044  18250.06   714.986  19576.83   1467.19  17836.86   818.787  188.378 7.1910  180.914 4.1786  7.463638       8.316875  
1 1 1 10  66  11 o 57.365  3.2251  1795.10    199.571  1438.17    507.391  1860.43    217.067  49.813  9.7534  58.373  3.4486  -8.559418      10.34511  
1 1 1 10  66  12 o 193.857 3.8100  20484.72   799.974  21318.19   1630.20  20220.36   918.120  195.819 7.6863  192.391 4.4060  3.427826       8.859570  
1 1 1 10  66  13 o 48.844  1.8313  1294.11    96.878   1096.56    469.761  1302.89    99.007   43.096  10.219  49.007  1.8652  -5.911907      10.38799  
1 1 1 10  66  14 o 26.107  5.7601  390.010    158.509  239.792    433.219  413.228    170.319  26.069  10.326  26.849  6.0071  -0.7802277     11.94604  
1 1 1 10  66  15 o 120.820 3.1345  7953.56    410.185  7388.67    860.885  8119.47    466.547  114.904 6.9500  121.975 3.5315  -7.070503      7.795802  
1 1 1 10  66  16 o 122.183 3.1647  8142.00    418.811  7731.20    872.575  8264.97    477.395  117.342 6.8959  122.980 3.5840  -5.638611      7.771692  
1 1 1 10  66  17 o 52.941  4.4447  1552.05    252.506  1320.90    494.565  1633.54    293.666  46.779  10.060  54.149  5.0661  -7.370213      11.26365  
1 1 1 10  66  18 o 30.225  7.0708  536.080    227.359  545.847    454.172  532.814    262.636  31.123  10.907  29.992  7.9547  1.131353       13.49927  
1 1 1 10  66  19 o 35.837  2.1378  701.208    82.602   594.871    466.226  704.654    83.929   31.903  11.058  35.922  2.1673  -4.018841      11.26799  
1 1 1 10  66  20 o 20.958  6.9994  243.426    186.514  373.781    442.884  215.322    205.639  27.381  10.558  20.457  7.3220  6.923935       12.84831  
1 1 1 10  66  21 o 12.661  5.8201  -114.8249  182.899  -474.2360  425.499  -33.3663   202.568  16.921  8.1082  14.725  6.4968  2.195673       10.38996  
1 1 1 10  66  22 o 26.009  7.9148  420.734    242.896  0.0000     0.0000   420.734    242.896  ?       ?       26.009  7.9148  0.000000       7.914790  
1 1 1 10  66  23 o 38.254  7.3418  906.887    293.132  0.0000     0.0000   906.887    293.132  ?       ?       38.254  7.3418  0.000000       7.341824  
1 1 1 10  66  24 o 20.896  8.2501  216.078    275.723  0.0000     0.0000   216.078    275.723  ?       ?       20.896  8.2501  0.000000       8.250109  
1 1 1 10  66  25 o 23.181  8.6499  328.623    291.531  0.0000     0.0000   328.623    291.531  ?       ?       23.181  8.6499  0.000000       8.649890  
1 1 1 10  66  26 o 21.588  8.5671  254.306    298.730  0.0000     0.0000   254.306    298.730  ?       ?       21.588  8.5671  0.000000       8.567128  
1 1 1 10  67  0  o 26.966  4.0632  403.898    114.988  556.630    159.806  239.923    165.583  31.628  4.8171  21.034  6.5585  10.59385       8.137439  
1 1 1 10  67  1  o 137.613 3.1132  10276.68   464.023  10037.97   656.293  10515.30   656.161  135.858 4.4601  139.064 4.3564  -3.206100      6.234589  
1 1 1 10  67  2  o 43.295  3.0796  1022.34    143.472  1034.81    200.523  1009.27    205.363  43.411  4.3222  42.843  4.4924  0.5680351      6.234029  
1 1 1 10  67  3  o 29.148  3.7307  469.056    115.076  482.246    156.344  453.461    169.995  29.336  5.1059  28.328  5.7373  1.008629       7.680298  
1 1 1 10  67  4  o 190.104 3.6290  19634.18   747.212  18435.17   1057.05  20831.71   1056.39  183.874 5.3077  195.538 4.9879  -11.66434      7.283608  
1 1 1 10  67  5  o 151.650 3.1983  12487.86   525.332  12760.77   746.621  12220.29   739.296  153.098 4.5026  149.811 4.5562  3.286774       6.405640  
1 1 1 10  67  6  o 173.796 3.4320  16411.66   646.033  16284.78   922.986  16533.53   904.550  172.820 4.9310  174.167 4.7951  -1.346985      6.878030  
1 1 1 10  67  7  o 117.002 3.4292  7439.90    434.565  8092.78    796.364  7163.06    518.581  121.575 6.0478  114.707 4.1740  6.868202       7.348340  
1 1 1 10  67  8  o 80.639  2.9908  3531.86    261.216  2842.09    607.700  3688.19    289.306  71.281  8.0100  82.384  3.2422  -11.10327      8.641343  
1 1 1 10  67  9  o 159.137 3.3607  13768.77   579.248  13653.51   1204.79  13803.43   660.612  157.413 7.0664  159.243 3.8301  -1.830597      8.037681  
1 1 1 10  67  10 o 100.556 2.6827  5490.96    292.178  6056.45    534.384  5249.83    348.957  105.310 4.6850  98.256  3.2790  7.053955       5.718524  
1 1 1 10  67  11 o 98.252  2.9150  5246.77    310.203  5724.06    693.518  5127.39    346.832  101.762 6.3235  97.079  3.2985  4.682671       7.132101  
1 1 1 10  67  12 o 125.394 3.0449  8552.22    413.536  8060.63    850.060  8704.63    473.320  120.634 6.5302  126.427 3.4566  -5.792999      7.388613  
1 1 1 10  67  13 o 64.718  2.4092  2275.02    168.874  2358.53    533.689  2265.72    178.021  64.573  7.7879  64.575  2.5453  -0.1556396E-02 8.193328  
1 1 1 10  67  14 o 96.367  2.9717  5054.83    310.173  5592.42    679.906  4913.55    348.557  100.297 6.2907  94.938  3.3897  5.358459       7.145802  
1 1 1 10  67  15 o 56.559  2.2938  1738.31    140.516  1806.04    174.800  1614.61    236.237  57.602  2.8018  54.166  4.0562  3.435722       4.929768  
1 1 1 10  67  16 o 62.604  3.4285  2147.01    231.593  2415.34    526.080  2082.51    257.931  65.031  7.6131  61.552  3.8889  3.478100       8.548844  
1 1 1 10  67  17 o 58.480  4.2774  1889.88    269.050  1775.22    510.259  1934.03    316.645  54.915  8.8821  58.948  5.0068  -4.033112      10.19607  
1 1 1 10  67  18 o 73.269  4.0187  2958.52    317.700  2632.74    582.629  3096.38    379.004  67.313  8.1581  74.725  4.7069  -7.412125      9.418562  
1 1 1 10  67  19 o 57.100  2.2142  1775.10    136.941  1447.67    510.141  1800.52    142.159  48.423  10.056  57.498  2.2827  -9.075356      10.31145  
1 1 1 10  67  20 o 54.580  3.7563  1651.99    220.703  1627.79    514.535  1657.45    244.320  51.064  9.6569  54.524  4.1687  -3.460087      10.51832  
1 1 1 10  67  21 o 46.179  5.0031  1218.45    246.237  0.0000     0.0000   1218.45    246.237  ?       ?       46.179  5.0031  0.000000       5.003053  
1 1 1 10  67  22 o 22.049  8.1539  264.634    257.908  0.0000     0.0000   264.634    257.908  ?       ?       22.049  8.1539  0.000000       8.153863  
1 1 1 10  67  23 o 26.493  8.5146  449.297    277.222  0.0000     0.0000   449.297    277.222  ?       ?       26.493  8.5146  0.000000       8.514645  
1 1 1 10  67  24 o 51.261  5.6388  1553.31    307.896  0.0000     0.0000   1553.31    307.896  ?       ?       51.261  5.6388  0.000000       5.638815  
1 1 1 10  67  25 o 22.953  8.3389  327.781    267.935  0.0000     0.0000   327.781    267.935  ?       ?       22.953  8.3389  0.000000       8.338855  
1 1 1 10  68  0  o 58.565  2.7617  1860.72    175.178  1893.41    243.257  1825.49    252.480  58.906  3.8336  57.809  4.0581  1.097134       5.582488  
1 1 1 10  68  1  f 12.472  4.9082  47.775     97.296   -12.5934   146.171  95.799     130.374  13.173  5.6683  15.397  5.7767  -2.223636      8.093261  
1 1 1 10  68  2  o 15.340  5.1065  121.133    99.295   93.495     143.744  146.357    137.326  15.796  6.0336  17.283  6.0006  -1.486950      8.509461  
1 1 1 10  68  3  o 83.010  2.5603  3737.87    230.192  3196.88    303.155  4474.52    353.750  76.703  3.6491  90.749  3.5990  -14.04615      5.125297  
1 1 1 10  68  4  o 78.158  2.2666  3312.72    191.872  3380.46    245.176  3205.66    308.209  78.921  2.8682  76.797  3.7053  2.123680       4.685768  
1 1 1 10  68  5  o 71.995  2.6720  2812.66    208.357  2965.74    315.276  2693.95    277.625  73.734  3.9623  70.303  3.6586  3.430939       5.393052  
1 1 1 10  68  6  f 102.500 3.0246  5705.30    335.782  4780.07    482.867  6571.66    467.253  93.510  4.7836  109.905 3.9252  -16.39498      6.187925  
1 1 1 10  68  7  o 220.855 4.8263  26613.07   1154.50  25683.33   2019.29  27064.58   1407.18  215.192 8.6637  222.336 5.8435  -7.143570      10.45012  
1 1 1 10  68  8  o 263.771 4.7201  37965.62   1348.50  39346.84   2722.81  37516.72   1552.24  265.508 9.4683  261.866 5.4728  3.641663       10.93615  
1 1 1 10  68  9  o 77.466  2.9421  3260.24    246.857  3823.88    588.978  3140.13    271.891  83.115  6.5968  75.994  3.3033  7.120613       7.377673  
1 1 1 10  68  10 o 135.143 3.1776  9931.30    465.126  9982.34    982.785  9916.57    528.002  134.359 6.7752  134.962 3.6120  -0.6032257     7.677902  
1 1 1 10  68  11 o 105.023 2.9324  5996.33    333.566  6162.75    731.921  5952.71    374.746  105.510 6.4355  104.585 3.3082  0.9255981      7.236003  
1 1 1 10  68  12 o 98.266  2.9324  5251.28    312.102  6163.87    692.544  5018.71    349.617  105.573 6.0823  96.003  3.3623  9.569962       6.949786  
1 1 1 10  68  13 o 225.359 4.2341  27768.89   1033.50  30130.19   2093.90  27008.36   1188.33  231.572 8.3483  221.866 4.9451  9.706146       9.703035  
1 1 1 10  68  14 o 110.357 3.0423  6632.50    363.644  6398.52    779.836  6697.52    411.072  107.027 6.7621  110.814 3.4249  -3.787796      7.579967  
1 1 1 10  68  15 o 94.389  3.5744  4867.17    365.427  4781.77    677.220  4902.25    434.039  92.275  6.8245  94.562  4.2378  -2.287254      8.033206  
1 1 1 10  68  16 o 83.703  3.1611  3823.28    286.585  3612.99    621.685  3880.02    322.945  79.786  7.2740  84.240  3.5395  -4.454590      8.089466  
1 1 1 10  68  17 o 31.064  6.8362  563.031    223.770  512.200    444.423  580.295    258.996  30.471  10.779  31.355  7.6859  -0.8831959     13.23867  
1 1 1 10  68  18 o 48.596  3.9729  1306.51    207.282  1283.08    492.880  1311.54    228.468  45.688  10.216  48.578  4.3897  -2.889996      11.11963  
1 1 1 10  68  19 o 53.948  2.0222  1583.59    118.158  1492.39    497.393  1589.04    121.640  49.253  9.6690  54.033  2.0785  -4.780083      9.889910  
1 1 1 10  68  20 o 59.389  2.5513  1928.82    164.114  1853.79    535.924  1936.58    172.396  54.491  9.4214  59.480  2.6760  -4.989452      9.794104  
1 1 1 10  68  21 o 58.275  4.3059  1911.85    269.854  0.0000     0.0000   1911.85    269.854  ?       ?       58.275  4.3059  0.000000       4.305874  
1 1 1 10  68  22 o 79.345  4.6316  3570.33    396.304  0.0000     0.0000   3570.33    396.304  ?       ?       79.345  4.6316  0.000000       4.631561  
1 1 1 10  68  23 o 21.575  7.6597  270.200    224.612  0.0000     0.0000   270.200    224.612  ?       ?       21.575  7.6597  0.000000       7.659695  
1 1 1 10  68  24 o 19.548  8.0833  146.729    278.740  0.0000     0.0000   146.729    278.740  ?       ?       19.548  8.0833  0.000000       8.083308  
1 1 1 10  68  25 o 20.576  8.3535  199.956    290.833  0.0000     0.0000   199.956    290.833  ?       ?       20.576  8.3535  0.000000       8.353548  
1 1 1 10  69  0  o 18.119  5.0383  184.124    102.458  347.074    141.240  3.1307     148.854  24.749  5.4191  13.644  5.7910  11.10551       7.931103  
1 1 1 10  69  1  o 129.387 3.0238  9087.34    423.747  8990.73    600.388  9183.24    598.155  128.542 4.3124  129.919 4.2508  -1.377609      6.055245  
1 1 1 10  69  2  o 143.796 3.0971  11226.19   482.362  11173.83   682.825  11278.33   681.502  143.276 4.4001  143.950 4.3711  -0.6732330     6.202192  
1 1 1 10  69  3  o 176.337 3.4429  16893.93   657.565  16542.50   930.159  17245.03   929.716  174.198 4.9300  177.883 4.8255  -3.685059      6.898582  
1 1 1 10  69  4  o 113.037 2.8132  6935.22    344.420  6762.84    491.654  7101.33    482.637  111.486 4.0716  114.264 3.8998  -2.778214      5.637956  
1 1 1 10  69  5  o 127.550 3.0886  8835.85    426.687  9028.22    613.422  8655.52    593.906  128.742 4.3992  126.064 4.3497  2.677147       6.186449  
1 1 1 10  69  6  f 102.767 2.8168  5733.82    313.530  5894.29    431.496  5554.35    456.342  104.084 3.8276  100.993 4.1718  3.090080       5.661676  
1 1 1 10  69  7  o 122.904 3.6535  8217.11    486.351  7325.79    875.700  8614.67    584.843  115.141 7.0559  125.735 4.2945  -10.59363      8.260083  
1 1 1 10  69  8  o 50.004  3.2689  1365.08    176.072  2890.12    492.347  1141.44    188.540  72.262  6.3552  45.628  3.8510  26.63379       7.430973  
1 1 1 10  69  9  o 104.711 2.9149  5957.55    330.591  6077.58    734.993  5927.11    370.147  104.878 6.5024  104.397 3.2735  0.4802856      7.279950  
1 1 1 10  69  10 o 172.385 3.4551  16176.40   645.104  18728.76   1332.52  15395.07   737.261  184.194 6.6793  168.008 4.0515  16.18561       7.812009  
1 1 1 10  69  11 o 28.615  5.0814  461.719    151.716  56.972     451.082  513.345    161.102  23.904  10.110  30.204  5.1066  -6.300043      11.32624  
1 1 1 10  69  12 o 48.870  3.6214  1309.03    190.323  1142.88    491.499  1338.34    206.428  43.901  10.481  49.372  3.8918  -5.470848      11.18069  
1 1 1 10  69  13 o 79.379  3.0030  3429.86    258.182  4417.97    600.367  3205.67    285.976  89.127  6.2589  76.679  3.4434  12.44829       7.143576  
1 1 1 10  69  14 o 113.285 3.0357  6991.00    372.482  7753.58    797.562  6778.28    421.243  118.029 6.2613  111.443 3.4899  6.585823       7.168184  
1 1 1 10  69  15 o 145.025 3.2905  11477.88   516.853  12115.49   1074.10  11285.75   589.603  147.210 6.7365  143.626 3.7901  3.584122       7.729566  
1 1 1 10  69  16 o 89.454  3.1577  4368.28    305.944  3748.90    652.658  4542.72    346.356  81.079  7.5176  91.137  3.5088  -10.05881      8.296110  
1 1 1 10  69  17 o 59.313  5.7213  1976.16    362.991  1770.66    519.793  2171.78    507.133  54.658  9.1002  61.297  7.8165  -6.638870      11.99631  
1 1 1 10  69  18 o 69.251  3.3535  2627.10    251.533  2936.86    564.424  2550.34    280.977  71.338  7.4132  68.011  3.8299  3.327042       8.344061  
1 1 1 10  69  19 o 26.968  6.3239  429.218    181.516  630.274    459.634  392.069    197.575  32.048  10.986  25.683  6.9386  6.365353       12.99402  
1 1 1 10  69  20 o 41.362  1.8533  931.720    83.028   831.908    478.407  934.820    84.308   35.215  11.172  41.427  1.8789  -6.212521      11.32841  
1 1 1 10  69  21 o 37.013  7.0306  831.019    271.544  0.0000     0.0000   831.019    271.544  ?       ?       37.013  7.0306  0.000000       7.030627  
1 1 1 10  69  22 o 81.985  4.5972  3814.26    406.573  0.0000     0.0000   3814.26    406.573  ?       ?       81.985  4.5972  0.000000       4.597152  
1 1 1 10  69  23 o 21.272  8.2030  236.653    267.379  0.0000     0.0000   236.653    267.379  ?       ?       21.272  8.2030  0.000000       8.203042  
1 1 1 10  69  24 o 33.603  8.2919  748.004    299.940  0.0000     0.0000   748.004    299.940  ?       ?       33.603  8.2919  0.000000       8.291921  
1 1 1 10  69  25 o 28.328  8.4380  541.999    278.251  0.0000     0.0000   541.999    278.251  ?       ?       28.328  8.4380  0.000000       8.438033  
1 1 1 10  70  0  o 45.132  3.0602  1110.96    148.706  1066.09    211.382  1154.92    209.239  44.022  4.4964  45.873  4.2599  -1.850357      6.193918  
1 1 1 10  70  1  o 62.234  2.8165  2102.03    189.848  2005.57    271.031  2194.96    266.012  60.571  4.1565  63.413  3.8918  -2.842930      5.694074  
1 1 1 10  70  2  o 150.876 3.3960  12367.87   554.956  12324.74   814.039  12405.32   758.548  150.328 4.9996  150.892 4.6414  -0.5637665     6.821902  
1 1 1 10  70  3  o 260.200 5.0057  36933.93   1410.71  37273.59   2153.73  36678.71   1866.96  260.136 7.6440  258.572 6.6663  1.563385       10.14248  
1 1 1 10  70  4  o 185.523 3.8630  18724.31   776.226  19067.31   1156.84  18443.43   1046.88  186.710 5.7205  183.771 5.2596  2.939514       7.770913  
1 1 1 10  70  5  o 66.256  3.1244  2384.77    224.218  2300.62    335.540  2452.66    301.387  64.764  4.8179  66.984  4.1750  -2.219833      6.375176  
1 1 1 10  70  6  o 168.882 3.5478  15510.46   648.947  14481.15   921.392  16523.65   914.149  162.784 5.2259  173.994 4.8508  -11.21017      7.130240  
1 1 1 10  70  7  o 71.428  3.1907  2772.97    246.844  2254.42    369.210  3192.10    331.937  63.973  5.3784  76.451  4.0229  -12.47775      6.716459  
1 1 1 10  70  8  f 13.158  5.8568  -62.8816   168.224  109.050    429.090  -94.1072   182.863  24.207  10.021  13.281  5.9930  10.92581       11.67641  
1 1 1 10  70  9  o 55.303  3.2784  1669.57    195.498  1482.66    504.926  1702.53    212.036  50.610  9.5616  55.814  3.5256  -5.203899      10.19091  
1 1 1 10  70  10 o 61.483  1.7800  2050.09    118.536  2463.14    190.945  1791.09    151.199  67.337  2.6181  57.433  2.4306  9.904194       3.572433  
1 1 1 10  70  11 o 185.738 3.7069  18808.20   745.735  18358.04   1526.17  18949.40   854.722  181.463 7.7650  186.243 4.2371  -4.780640      8.845868  
1 1 1 10  70  12 o 170.012 3.6091  15763.38   664.592  15772.88   1565.51  15761.29   734.016  167.093 8.6801  169.869 3.9895  -2.776215      9.553061  
1 1 1 10  70  13 o 131.798 3.1787  9463.98    453.763  8607.75    954.256  9714.15    515.811  124.011 7.1346  133.423 3.5693  -9.412079      7.977616  
1 1 1 10  70  14 f 108.763 3.0632  6446.63    360.851  6180.83    778.706  6519.32    407.213  104.969 6.8874  109.285 3.4402  -4.316238      7.698840  
1 1 1 10  70  15 o 18.296  6.3771  168.985    155.171  -184.1627  433.069  221.001    166.207  20.312  9.1890  20.189  6.6012  0.1233349      11.31426  
1 1 1 10  70  16 o 49.447  3.9691  1349.63    210.777  1023.19    491.210  1423.31    233.353  40.764  10.910  50.708  4.2890  -9.944187      11.72293  
1 1 1 10  70  17 o 115.868 4.6830  7417.08    587.701  6999.23    837.482  7822.49    824.930  111.022 7.0005  117.767 6.4924  -6.745323      9.547649  
1 1 1 10  70  18 o 75.791  3.2663  3147.22    268.130  2982.32    586.231  3190.84    301.517  71.599  7.6793  76.203  3.6531  -4.604362      8.503988  
1 1 1 10  70  19 o 32.906  5.5694  626.436    191.416  669.007    468.992  617.927    209.675  32.571  11.098  32.451  6.1914  0.1197090      12.70822  
1 1 1 10  70  20 o 31.829  1.4279  550.591    49.225   0.0000     0.0000   550.591    49.225   ?       ?       31.829  1.4279  0.000000       1.427911  
1 1 1 10  70  21 o 45.522  5.7727  1209.33    278.230  0.0000     0.0000   1209.33    278.230  ?       ?       45.522  5.7727  0.000000       5.772742  
1 1 1 10  70  22 o 57.187  5.3209  1893.06    325.790  0.0000     0.0000   1893.06    325.790  ?       ?       57.187  5.3209  0.000000       5.320880  
1 1 1 10  70  23 o 40.165  7.1196  1001.53    298.382  0.0000     0.0000   1001.53    298.382  ?       ?       40.165  7.1196  0.000000       7.119642  
1 1 1 10  70  24 o 27.767  8.2378  512.510    265.595  0.0000     0.0000   512.510    265.595  ?       ?       27.767  8.2378  0.000000       8.237761  
1 1 1 10  71  0  o 193.556 3.7352  20371.17   783.053  20157.43   1109.30  20583.46   1105.52  192.135 5.3305  194.177 5.2565  -2.041733      7.486373  
1 1 1 10  71  1  o 70.055  2.8007  2663.92    212.510  2751.42    302.427  2578.57    298.678  71.007  3.9479  68.722  4.0303  2.284637       5.641785  
1 1 1 10  71  2  o 90.598  2.8125  4455.69    275.980  4436.97    395.022  4473.54    385.735  90.293  4.0392  90.677  3.9276  -0.3834686     5.633904  
1 1 1 10  71  3  f 115.389 3.0579  7231.48    382.166  6561.56    542.526  7891.33    538.427  109.719 4.5653  120.394 4.1291  -10.67583      6.155574  
1 1 1 10  71  4  f 179.537 3.6897  17532.39   717.488  17317.22   1016.00  17746.44   1013.37  178.029 5.2691  180.246 5.1908  -2.216309      7.396416  
1 1 1 10  71  5  o 133.516 3.1331  9685.71    453.087  9520.84    649.023  9842.45    632.807  132.139 4.5348  134.389 4.3475  -2.250397      6.282119  
1 1 1 10  71  6  o 46.909  1.6548  1192.84    84.075   1241.18    90.612   893.577    225.442  47.848  1.7484  40.079  5.3252  7.768791       5.604860  
1 1 1 10  71  7  o 75.923  3.0898  3132.91    254.085  3244.77    381.856  3044.04    340.371  76.963  4.6019  74.603  4.2298  2.359962       6.250491  
1 1 1 10  71  8  o 8.1369  2.8115  32.392     30.130   30.083     30.501   125.672    193.880  7.9913  2.8242  18.230  6.9969  -10.23916      7.545321  
1 1 1 10  71  9  o 70.034  3.0166  2666.79    228.821  2428.00    562.449  2714.15    250.488  65.571  8.0912  70.628  3.2745  -5.056816      8.728632  
1 1 1 10  71  10 o 201.859 3.9554  22229.37   864.784  21050.23   1762.36  22603.32   992.487  193.967 8.3888  203.329 4.5067  -9.362000      9.522689  
1 1 1 10  71  11 o 195.773 3.7464  20905.69   794.408  22294.29   1623.56  20468.59   910.898  200.035 7.4936  193.476 4.3468  6.558701       8.663079  
1 1 1 10  71  12 o 66.595  3.1563  2415.36    227.658  2663.75    551.776  2364.40    249.923  68.657  7.5444  65.751  3.5222  2.906212       8.326110  
1 1 1 10  71  13 o 34.737  1.7062  654.694    64.193   662.858    68.416   594.604    185.607  34.902  1.8161  32.406  5.4838  2.496387       5.776667  
1 1 1 10  71  14 o 60.475  3.3757  2002.42    220.230  2128.18    526.838  1975.79    242.428  60.805  8.2095  59.994  3.7496  0.8106575      9.025225  
1 1 1 10  71  15 o 101.924 3.0720  5667.58    339.128  4965.99    736.383  5856.43    382.055  93.561  7.3252  103.521 3.4074  -9.959984      8.078966  
1 1 1 10  71  16 o 87.544  3.7469  4199.75    355.280  3451.63    648.321  4520.83    424.732  77.516  7.8293  90.652  4.3258  -13.13528      8.944832  
1 1 1 10  71  17 o 83.514  3.1071  3813.02    281.056  2923.17    623.908  4039.57    314.806  70.728  8.3024  85.884  3.3842  -15.15683      8.965603  
1 1 1 10  71  18 o 21.985  6.9452  276.252    185.054  -36.6372   442.638  342.523    203.711  21.720  9.5923  24.174  7.2242  -2.453762      12.00843  
1 1 1 10  71  19 o 21.596  7.0365  268.084    188.911  150.792    452.154  292.889    207.929  23.829  10.102  22.512  7.3845  1.317400       12.51344  
1 1 1 10  71  20 o 40.556  5.2501  947.964    225.203  0.0000     0.0000   947.964    225.203  ?       ?       40.556  5.2501  0.000000       5.250074  
1 1 1 10  71  21 o 30.038  7.5826  563.707    246.719  0.0000     0.0000   563.707    246.719  ?       ?       30.038  7.5826  0.000000       7.582576  
1 1 1 10  71  22 o 33.303  7.8923  706.879    280.327  0.0000     0.0000   706.879    280.327  ?       ?       33.303  7.8923  0.000000       7.892265  
1 1 1 10  71  23 o 24.453  7.7233  379.641    228.848  0.0000     0.0000   379.641    228.848  ?       ?       24.453  7.7233  0.000000       7.723282  
1 1 1 10  71  24 o 26.623  10.062  471.501    397.150  0.0000     0.0000   471.501    397.150  ?       ?       26.623  10.062  0.000000       10.06239  
1 1 1 10  72  0  o 59.859  2.8530  1945.33    184.971  1868.34    263.218  2020.45    259.991  58.431  4.1869  60.805  3.9695  -2.374271      5.769480  
1 1 1 10  72  1  o 197.963 3.9991  21329.09   857.456  21551.82   1287.75  21151.68   1149.28  198.381 5.9932  196.739 5.3935  1.642776       8.062756  
1 1 1 10  72  2  o 175.542 3.6021  16756.62   684.871  15587.90   968.034  17927.86   969.075  168.909 5.2914  181.247 4.9365  -12.33821      7.236525  
1 1 1 10  72  3  o 130.591 3.0737  9264.06    434.749  9114.96    615.967  9412.05    613.696  129.329 4.3974  131.435 4.3109  -2.106720      6.158003  
1 1 1 10  72  4  o 60.170  1.9598  1963.21    127.725  2227.45    147.055  1151.65    257.717  64.085  2.1186  45.597  5.3183  18.48758       5.724761  
1 1 1 10  72  5  o 30.398  4.7545  516.235    151.410  605.724    242.890  459.360    193.636  32.544  7.0912  28.364  6.4489  4.179785       9.585052  
1 1 1 10  72  6  o 41.453  3.9483  944.358    175.125  769.877    267.151  1075.83    231.902  36.793  6.9588  44.101  4.9398  -7.308094      8.533840  
1 1 1 10  72  7  o 81.611  2.6606  3617.28    235.174  3664.09    307.518  3551.33    364.992  82.056  3.4601  80.585  4.1963  1.471062       5.438851  
1 1 1 10  72  8  o 52.753  4.1889  1527.76    237.368  1653.81    501.457  1491.35    269.470  53.703  8.9352  51.998  4.8403  1.705002       10.16197  
1 1 1 10  72  9  o 53.030  3.3573  1536.81    191.838  1566.67    505.789  1531.80    207.330  52.063  9.3113  52.901  3.6407  -0.8371735     9.997722  
1 1 1 10  72  10 o 40.454  4.0235  901.920    173.953  1262.65    482.933  848.140    186.470  46.375  9.9149  39.134  4.4801  7.241894       10.88011  
1 1 1 10  72  11 o 55.651  1.8446  1680.29    111.182  1815.55    500.795  1673.28    114.028  56.257  8.4824  55.531  1.8958  0.7259216      8.691670  
1 1 1 10  72  12 o 110.364 2.9896  6631.61    357.364  7138.49    777.012  6495.63    402.455  113.277 6.3588  109.140 3.4046  4.136894       7.212902  
1 1 1 10  72  13 o 77.172  3.0952  3245.70    258.712  3066.46    601.214  3286.43    286.605  73.480  7.6671  77.603  3.4099  -4.122200      8.391173  
1 1 1 10  72  14 o 12.703  2.6449  91.093     35.208   84.006     36.081   232.220    161.014  12.179  2.7945  20.493  6.4789  -8.313650      7.055908  
1 1 1 10  72  15 o 82.348  3.0606  3700.10    272.974  3804.89    621.633  3675.06    303.836  81.915  7.0760  81.992  3.4214  -0.7713318E-01 7.859704  
1 1 1 10  72  16 o 35.027  6.1193  704.510    223.706  708.115    465.999  703.430    255.012  34.312  11.041  34.723  7.0220  -0.4110870     13.08448  
1 1 1 10  72  17 o 56.005  2.4405  1709.29    148.040  1225.89    509.665  1753.83    154.710  44.181  10.753  56.719  2.5184  -12.53830      11.04350  
1 1 1 10  72  18 o 89.077  2.8940  4344.93    279.208  3909.88    451.700  4613.94    355.191  83.446  5.0211  91.525  3.5831  -8.079155      6.168478  
1 1 1 10  72  19 o 70.516  3.2862  2741.41    250.989  2660.80    483.704  2771.12    293.609  67.343  6.7214  70.565  3.8562  -3.222168      7.749003  
1 1 1 10  72  20 o 19.745  7.6183  180.159    230.709  0.0000     0.0000   180.159    230.709  ?       ?       19.745  7.6183  0.000000       7.618268  
1 1 1 10  72  21 o 47.346  5.2231  1294.69    263.385  0.0000     0.0000   1294.69    263.385  ?       ?       47.346  5.2231  0.000000       5.223092  
1 1 1 10  72  22 o 27.448  7.1240  472.185    213.634  0.0000     0.0000   472.185    213.634  ?       ?       27.448  7.1240  0.000000       7.123965  
1 1 1 10  72  23 o 28.841  8.4804  552.832    282.529  0.0000     0.0000   552.832    282.529  ?       ?       28.841  8.4804  0.000000       8.480361  
1 1 1 10  72  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  73  0  o 173.466 3.5568  16362.37   668.267  16598.23   944.138  16125.58   946.010  174.365 4.9993  171.841 5.0827  2.523804       7.129289  
1 1 1 10  73  1  o 34.450  4.4765  657.568    163.081  507.754    239.918  786.243    222.347  29.776  7.4559  37.503  5.6492  -7.726984      9.354372  
1 1 1 10  73  2  o 121.890 3.1145  8072.09    411.170  7685.03    581.154  8460.04    581.812  118.718 4.5196  124.599 4.3112  -5.880661      6.246086  
1 1 1 10  73  3  o 136.996 3.2438  10200.87   481.317  10085.61   681.797  10315.39   679.577  135.963 4.6298  137.518 4.5626  -1.554733      6.500172  
1 1 1 10  73  4  o 176.718 3.6103  16991.73   691.016  16758.37   979.534  17222.93   974.970  175.071 5.1658  177.512 5.0710  -2.440750      7.238793  
1 1 1 10  73  5  o 87.018  2.8913  4113.74    272.506  4262.02    398.529  3983.52    373.456  88.423  4.1613  85.502  4.0327  2.920715       5.794709  
1 1 1 10  73  6  o 76.176  2.6156  3151.16    215.801  2855.05    274.930  3626.40    348.303  72.429  3.5046  81.575  3.9421  -9.146355      5.274693  
1 1 1 10  73  7  o 110.114 3.1115  6593.37    371.096  6274.14    531.203  6897.67    518.640  107.161 4.5767  112.426 4.2592  -5.265083      6.251976  
1 1 1 10  73  8  o 55.412  4.1305  1684.61    246.117  1618.70    504.679  1705.18    281.911  53.024  9.1163  55.641  4.7224  -2.617676      10.26688  
1 1 1 10  73  9  o 146.365 3.3202  11663.02   526.350  11879.54   1172.80  11608.41   589.000  146.004 7.4410  145.922 3.7267  0.8155823E-01  8.322059  
1 1 1 10  73  10 o 145.280 3.1815  11490.85   500.614  13497.27   1056.41  10909.79   568.500  156.281 6.2410  141.424 3.7114  14.85710       7.261176  
1 1 1 10  73  11 o 66.992  3.0915  2443.73    224.315  2583.99    555.599  2416.42    245.186  67.535  7.7351  66.491  3.4161  1.044037       8.455909  
1 1 1 10  73  12 o 30.064  1.2371  489.950    40.281   506.764    41.537   224.403    165.073  30.575  1.2543  20.330  6.5742  10.24470       6.692777  
1 1 1 10  73  13 o 12.015  5.4383  -80.7638   151.905  -123.3507  437.047  -74.9122   162.006  21.120  9.4178  12.592  5.6653  8.528176       10.99050  
1 1 1 10  73  14 f 39.956  4.1445  885.010    176.750  428.062    474.192  958.740    190.477  29.473  11.025  41.570  4.2922  -12.09749      11.83110  
1 1 1 10  73  15 o 37.683  4.6280  793.640    184.917  896.134    476.852  775.500    200.615  38.233  10.953  37.114  5.1276  1.118973       12.09419  
1 1 1 10  73  16 o 64.480  3.0091  2271.14    210.152  1907.76    262.349  2921.83    351.068  58.731  4.1509  72.626  4.4849  -13.89520      6.111052  
1 1 1 10  73  17 o 63.390  2.8245  2196.16    193.927  2583.46    551.595  2141.53    207.151  66.406  7.8189  62.547  3.0578  3.858452       8.395544  
1 1 1 10  73  18 o 67.013  3.5100  2482.21    253.874  2094.31    562.626  2581.39    284.483  58.208  9.2323  68.196  3.8674  -9.987389      10.00959  
1 1 1 10  73  19 o 46.727  4.8917  1243.08    243.905  0.0000     0.0000   1243.08    243.905  ?       ?       46.727  4.8917  0.000000       4.891744  
1 1 1 10  73  20 o 25.347  7.7404  395.303    232.014  0.0000     0.0000   395.303    232.014  ?       ?       25.347  7.7404  0.000000       7.740371  
1 1 1 10  73  21 o 31.791  7.4656  631.963    252.676  0.0000     0.0000   631.963    252.676  ?       ?       31.791  7.4656  0.000000       7.465644  
1 1 1 10  73  22 o 30.798  7.7736  607.820    259.327  0.0000     0.0000   607.820    259.327  ?       ?       30.798  7.7736  0.000000       7.773576  
1 1 1 10  73  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  74  0  o 50.472  3.4711  1391.78    188.599  1368.06    268.163  1414.99    265.297  49.795  5.0417  50.677  4.8943  -0.8819580     7.026586  
1 1 1 10  74  1  o 119.477 3.0518  7755.75    394.923  7572.99    557.981  7939.19    559.030  117.860 4.3710  120.693 4.2765  -2.833168      6.115066  
1 1 1 10  74  2  o 16.424  6.0154  119.258    139.836  16.508     192.900  233.053    203.003  15.728  6.6293  21.380  7.3014  -5.651994      9.861946  
1 1 1 10  74  3  o 100.657 2.9417  5504.55    320.712  5247.13    455.294  5758.07    451.837  98.100  4.2850  102.801 4.0580  -4.701080      5.901599  
1 1 1 10  74  4  o 41.863  1.7140  950.178    77.719   976.248    83.636   785.240    210.369  42.431  1.8199  37.511  5.3275  4.919308       5.629786  
1 1 1 10  74  5  o 46.842  3.4131  1200.12    171.974  1379.29    257.295  1055.45    231.207  50.009  4.8095  43.654  4.9791  6.355499       6.922635  
1 1 1 10  74  6  o 57.817  3.3399  1824.78    208.262  1779.96    316.946  1858.83    276.278  56.776  5.2123  58.185  4.4169  -1.408901      6.832056  
1 1 1 10  74  7  f 110.300 3.0962  6616.53    369.894  6413.73    536.122  6800.77    511.000  108.327 4.5694  111.621 4.2267  -3.294556      6.224507  
1 1 1 10  74  8  o 117.786 3.5382  7557.54    451.387  7567.78    827.170  7553.20    538.661  116.860 6.5618  117.604 4.2289  -0.7444763     7.806394  
1 1 1 10  74  9  o 32.821  4.6316  600.979    160.070  1021.88    465.541  544.547    170.464  41.527  10.379  31.082  5.2505  10.44478       11.63155  
1 1 1 10  74  10 o 56.862  3.3254  1767.60    203.913  1333.69    525.447  1844.54    221.253  47.365  10.516  58.055  3.5355  -10.68984      11.09481  
1 1 1 10  74  11 o 67.314  3.1012  2468.28    226.101  2866.68    559.893  2390.65    247.150  71.247  7.3616  66.111  3.4636  5.136223       8.135712  
1 1 1 10  74  12 o 154.308 3.3338  12989.42   557.181  13365.34   1158.88  12876.39   635.445  154.675 6.9175  153.459 3.8231  1.215485       7.903687  
1 1 1 10  74  13 o 184.921 3.9030  18725.00   781.735  17765.64   1898.53  18920.86   857.831  174.522 10.087  185.688 4.2653  -11.16537      10.95149  
1 1 1 10  74  14 o 88.849  2.7050  4299.78    260.313  4293.12    654.787  4301.04    283.695  87.121  6.9983  88.814  2.9492  -1.693329      7.594285  
1 1 1 10  74  15 o 57.862  2.3275  1821.73    145.867  1884.10    183.535  1714.79    240.340  58.770  2.8833  55.742  4.0075  3.027622       4.936996  
1 1 1 10  74  16 o 31.788  6.6667  591.337    222.202  1000.74    467.815  472.067    252.503  39.998  10.620  28.193  7.9342  11.80496       13.25686  
1 1 1 10  74  17 o 69.658  2.8503  2655.15    215.047  2925.05    573.835  2611.05    231.951  70.589  7.6267  69.012  3.1032  1.577866       8.233809  
1 1 1 10  74  18 o 87.821  3.2769  4248.45    311.702  4155.83    663.919  4274.64    353.027  83.778  7.3925  87.884  3.7088  -4.105949      8.270696  
1 1 1 10  74  19 o 58.017  5.0111  1915.59    311.799  0.0000     0.0000   1915.59    311.799  ?       ?       58.017  5.0111  0.000000       5.011085  
1 1 1 10  74  20 o 15.925  7.0402  -28.8496   239.021  0.0000     0.0000   -28.8496   239.021  ?       ?       15.925  7.0402  0.000000       7.040165  
1 1 1 10  74  21 f 25.307  8.1268  402.012    252.579  0.0000     0.0000   402.012    252.579  ?       ?       25.307  8.1268  0.000000       8.126772  
1 1 1 10  74  22 o 18.190  7.5149  111.442    240.604  0.0000     0.0000   111.442    240.604  ?       ?       18.190  7.5149  0.000000       7.514925  
1 1 1 10  74  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  75  0  f 85.962  2.9645  4014.79    276.011  4047.31    387.090  3981.14    393.670  86.175  4.1472  85.454  4.2533  0.7214279      5.940580  
1 1 1 10  75  1  o 27.776  1.3661  418.101    41.099   421.297    41.934   340.251    206.953  27.882  1.3886  24.617  7.2637  3.264359       7.395195  
1 1 1 10  75  2  o 166.697 3.6359  15125.16   656.454  15218.99   970.919  15046.14   890.958  166.712 5.3771  165.900 4.9584  0.8126221      7.314270  
1 1 1 10  75  3  o 120.475 3.0365  7888.96    396.225  8186.59    556.935  7583.92    563.821  122.524 4.1967  117.884 4.4158  4.639885       6.091987  
1 1 1 10  75  4  o 34.997  4.1485  677.102    154.190  544.297    234.320  778.523    204.771  30.785  7.1623  37.364  5.2010  -6.578814      8.851489  
1 1 1 10  75  5  o 38.295  4.0299  808.243    164.639  679.183    252.754  903.360    216.987  34.465  7.0097  40.316  5.0821  -5.851566      8.658136  
1 1 1 10  75  6  o 99.895  3.0355  5426.15    328.434  4758.61    476.845  6028.67    453.023  93.161  4.7414  105.143 3.9780  -11.98202      6.189199  
1 1 1 10  75  7  o 101.722 3.0209  5627.45    332.826  5694.47    487.797  5569.07    455.259  102.082 4.4118  101.002 4.1616  1.080338       6.064908  
1 1 1 10  75  8  o 27.620  6.4332  438.103    188.870  1038.74    436.949  300.098    209.447  42.013  9.7846  23.353  7.3900  18.66017       12.26180  
1 1 1 10  75  9  o 72.599  3.0371  2868.49    238.815  3434.68    576.957  2751.43    262.344  78.371  6.8663  71.056  3.4088  7.314743       7.665864  
1 1 1 10  75  10 o 120.958 3.0350  7966.33    397.614  8584.63    860.365  7798.41    448.368  124.255 6.4148  119.579 3.4618  4.675072       7.289330  
1 1 1 10  75  11 o 112.820 2.9641  6931.58    362.206  8418.42    797.555  6545.25    406.549  123.290 5.9726  109.529 3.4270  13.76116       6.885947  
1 1 1 10  75  12 o 147.992 3.3491  11953.62   536.823  13540.53   1102.29  11460.21   614.639  155.825 6.5311  144.698 3.9218  11.12775       7.618122  
1 1 1 10  75  13 o 21.379  6.5333  257.186    165.257  502.041    461.630  221.194    176.986  30.635  10.970  20.365  6.8182  10.27055       12.91607  
1 1 1 10  75  14 o 69.066  2.4506  2595.87    183.319  3061.40    565.158  2541.12    193.798  73.346  7.2073  68.310  2.6194  5.035591       7.668490  
1 1 1 10  75  15 o 35.041  5.0576  693.876    186.396  686.621    475.656  695.192    202.600  33.827  11.172  34.936  5.5390  -1.109051      12.47007  
1 1 1 10  75  16 o 31.437  6.6871  581.217    220.691  161.778    468.266  700.985    250.224  24.792  10.383  34.510  6.9350  -9.718752      12.48569  
1 1 1 10  75  17 o 27.166  1.9938  404.024    58.254   983.742    471.353  395.032    58.704   38.802  10.812  26.854  2.0334  11.94760       11.00192  
1 1 1 10  75  18 o 40.760  5.4150  957.396    233.138  0.0000     0.0000   957.396    233.138  ?       ?       40.760  5.4150  0.000000       5.414985  
1 1 1 10  75  19 o 48.693  5.6252  1372.01    291.208  0.0000     0.0000   1372.01    291.208  ?       ?       48.693  5.6252  0.000000       5.625166  
1 1 1 10  75  20 o 56.715  5.2254  1850.41    317.381  0.0000     0.0000   1850.41    317.381  ?       ?       56.715  5.2254  0.000000       5.225431  
1 1 1 10  75  21 o 56.994  5.3654  1886.73    327.312  0.0000     0.0000   1886.73    327.312  ?       ?       56.994  5.3654  0.000000       5.365402  
1 1 1 10  75  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  75  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  76  0  o 47.630  3.5221  1241.22    180.413  1125.47    250.542  1365.89    260.006  45.053  5.2318  49.756  4.8878  -4.702560      7.159743  
1 1 1 10  76  1  o 135.106 3.1774  9924.87    464.962  9451.10    656.866  10400.63   658.246  131.552 4.6101  138.053 4.4022  -6.501068      6.374347  
1 1 1 10  76  2  o 118.003 3.1188  7570.42    398.613  7087.38    563.164  8055.38    564.286  113.923 4.5641  121.513 4.2875  -7.590286      6.262101  
1 1 1 10  76  3  o 41.654  3.9058  953.673    174.156  824.430    251.498  1072.74    241.400  38.230  6.2928  43.975  5.1668  -5.744881      8.142224  
1 1 1 10  76  4  o 119.770 3.0750  7799.73    398.897  7326.56    566.963  8263.54    561.329  115.812 4.5199  123.064 4.2113  -7.252686      6.177766  
1 1 1 10  76  5  o 59.254  3.1378  1914.95    200.662  2092.97    294.727  1761.14    273.966  61.743  4.4368  56.598  4.5065  5.145439       6.324044  
1 1 1 10  76  6  o 26.094  5.8292  388.930    160.593  241.661    267.649  471.773    200.743  22.821  8.3277  28.672  6.6008  -5.851198      10.62647  
1 1 1 10  76  7  o 84.531  3.1260  3888.44    286.209  3526.51    424.622  4189.77    387.449  80.071  4.9200  87.596  4.0837  -7.525230      6.393998  
1 1 1 10  76  8  o 155.180 4.0830  13156.23   686.260  12805.33   1335.83  13282.04   799.881  150.904 8.2038  155.682 4.7437  -4.777573      9.476553  
1 1 1 10  76  9  o 112.926 3.0240  6942.26    369.872  7532.30    807.214  6785.46    416.126  116.399 6.4277  111.557 3.4440  4.842087       7.292188  
1 1 1 10  76  10 o 142.049 3.3597  11003.38   516.897  10334.86   1065.71  11209.02   591.078  135.775 7.2733  143.229 3.8102  -7.454391      8.210859  
1 1 1 10  76  11 o 126.017 3.0931  8655.00    422.171  8388.53    901.275  8729.90    477.834  122.394 6.8259  126.452 3.4888  -4.057892      7.665833  
1 1 1 10  76  12 o 49.923  2.2167  1354.56    119.862  1333.70    144.847  1399.89    213.488  49.420  2.7165  50.409  3.9415  -0.9894676     4.786952  
1 1 1 10  76  13 o 47.085  3.8951  1222.68    196.858  1486.75    501.773  1174.64    214.016  49.943  9.6251  46.043  4.3429  3.899891       10.55954  
1 1 1 10  76  14 o 44.424  4.0461  1092.57    192.547  1296.01    501.738  1057.44    208.512  46.057  10.314  43.591  4.4801  2.466492       11.24537  
1 1 1 10  76  15 o 34.228  5.3973  667.590    193.461  732.927    474.283  654.549    211.890  34.564  11.140  33.691  6.0280  0.8730125      12.66639  
1 1 1 10  76  16 f 46.781  5.0191  1235.23    250.337  1469.09    508.761  1160.52    287.556  48.452  10.025  44.916  6.0660  3.535915       11.71752  
1 1 1 10  76  17 o 60.700  2.0646  2008.49    135.738  1884.62    202.948  2108.75    182.587  58.441  3.2187  62.048  2.7169  -3.607029      4.212047  
1 1 1 10  76  18 o 37.797  6.6256  849.932    261.353  0.0000     0.0000   849.932    261.353  ?       ?       37.797  6.6256  0.000000       6.625599  
1 1 1 10  76  19 f 15.018  6.7844  -83.5327   235.109  0.0000     0.0000   -83.5327   235.109  ?       ?       15.018  6.7844  0.000000       6.784435  
1 1 1 10  76  20 o 47.687  5.8726  1335.82    296.913  0.0000     0.0000   1335.82    296.913  ?       ?       47.687  5.8726  0.000000       5.872615  
1 1 1 10  76  21 o 22.019  9.3231  166.528    384.320  0.0000     0.0000   166.528    384.320  ?       ?       22.019  9.3231  0.000000       9.323112  
1 1 1 10  76  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  77  0  o 90.212  2.9323  4422.79    286.516  4191.45    402.976  4659.29    407.452  87.653  4.2446  92.443  4.0694  -4.789757      5.880247  
1 1 1 10  77  1  f 108.626 2.9736  6413.49    349.847  6487.04    496.534  6340.99    493.003  109.048 4.2040  107.811 4.2220  1.237877       5.958075  
1 1 1 10  77  2  o 41.123  1.8466  917.141    82.247   941.672    87.945   746.025    232.270  41.666  1.9488  36.357  6.1155  5.309128       6.418506  
1 1 1 10  77  3  o 118.174 3.0451  7593.27    389.758  7193.71    549.928  7996.55    552.484  114.768 4.4240  121.050 4.2139  -6.282127      6.109717  
1 1 1 10  77  4  f 98.897  2.8883  5316.43    309.379  5412.74    441.917  5223.85    433.267  99.602  4.0964  97.850  4.0881  1.751884       5.787360  
1 1 1 10  77  5  o 103.379 3.0289  5812.64    339.142  5321.43    488.989  6267.92    470.768  98.643  4.5768  107.169 4.0557  -8.525986      6.115235  
1 1 1 10  77  6  o 106.104 2.9828  6123.66    342.786  6167.78    495.397  6083.12    474.804  106.233 4.3055  105.535 4.1538  0.6984177      5.982603  
1 1 1 10  77  7  o 106.409 3.0970  6162.79    356.940  5717.41    520.609  6557.86    490.328  102.159 4.7051  109.554 4.1323  -7.394958      6.262068  
1 1 1 10  77  8  o 175.430 4.1489  16828.29   788.323  17587.43   1393.69  16471.13   955.941  177.603 7.2452  173.135 5.0977  4.468094       8.858846  
1 1 1 10  77  9  o 100.517 2.9647  5500.51    322.770  6323.93    724.933  5296.92    360.472  106.623 6.3054  98.562  3.3767  8.060738       7.152647  
1 1 1 10  77  10 f 77.795  3.0436  3297.12    256.454  3430.60    604.106  3267.78    283.243  77.984  7.2345  77.395  3.3789  0.5896683      7.984688  
1 1 1 10  77  11 o 13.274  5.6805  -1.7976    145.349  -225.9448  450.974  24.185     153.542  20.400  9.2867  14.223  5.9499  6.177045       11.02920  
1 1 1 10  77  12 f 106.468 3.0092  6180.34    347.006  6556.18    766.324  6083.40    389.193  108.114 6.5755  105.531 3.4050  2.583244       7.404810  
1 1 1 10  77  13 o 109.065 2.9191  6486.73    344.830  6440.50    649.631  6504.86    406.883  107.550 5.5962  109.069 3.4443  -1.519295      6.571149  
1 1 1 10  77  14 o 57.157  3.5246  1796.32    217.134  1562.37    537.177  1842.01    237.392  50.619  10.151  57.808  3.8129  -7.188675      10.84360  
1 1 1 10  77  15 o 65.054  3.5661  2331.62    250.311  2338.59    567.028  2329.94    278.964  62.720  8.5713  64.893  3.9883  -2.172932      9.453788  
1 1 1 10  77  16 o 22.653  8.8326  228.446    312.653  252.131    467.954  209.349    420.206  25.674  10.529  24.266  9.9678  1.407555       14.49912  
1 1 1 10  77  17 o 56.137  2.4901  1723.69    151.405  0.0000     0.0000   1723.69    151.405  ?       ?       56.137  2.4901  0.000000       2.490125  
1 1 1 10  77  18 o 17.541  7.2543  82.063     224.531  0.0000     0.0000   82.063     224.531  ?       ?       17.541  7.2543  0.000000       7.254301  
1 1 1 10  77  19 o 39.324  6.7727  930.136    278.055  0.0000     0.0000   930.136    278.055  ?       ?       39.324  6.7727  0.000000       6.772684  
1 1 1 10  77  20 o 16.897  7.3053  25.156     245.131  0.0000     0.0000   25.156     245.131  ?       ?       16.897  7.3053  0.000000       7.305316  
1 1 1 10  77  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  77  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  78  0  o 44.758  3.8735  1099.92    185.927  1253.60    268.949  959.241    257.318  47.539  5.3143  41.378  5.9094  6.160751       7.947501  
1 1 1 10  78  1  o 118.694 3.0997  7661.48    398.495  7591.21    562.541  7732.25    564.577  117.898 4.4053  118.994 4.3806  -1.095863      6.212586  
1 1 1 10  78  2  o 51.353  3.3972  1441.65    187.889  1306.73    267.440  1573.15    264.023  48.571  5.1629  53.453  4.6053  -4.882469      6.918367  
1 1 1 10  78  3  o 71.322  3.0353  2766.49    234.474  2750.31    338.938  2781.34    324.711  70.808  4.4420  71.250  4.2265  -0.4427185     6.131459  
1 1 1 10  78  4  o 173.726 3.5747  16444.12   672.623  16425.57   953.646  16462.48   948.836  173.091 5.0868  173.299 5.0550  -0.2074890     7.171376  
1 1 1 10  78  5  o 186.729 3.7558  19015.55   759.602  18436.68   1072.69  19597.79   1075.80  183.180 5.4066  188.934 5.2571  -5.754150      7.541142  
1 1 1 10  78  6  o 162.978 3.4857  14475.99   615.307  13807.02   877.911  15121.89   862.641  158.593 5.1109  166.107 4.7948  -7.514084      7.007971  
1 1 1 10  78  7  o 80.740  3.6212  3556.18    316.676  3738.11    600.251  3486.01    372.775  81.757  6.8415  79.700  4.3347  2.056664       8.099086  
1 1 1 10  78  8  o 28.185  6.5159  457.917    194.935  902.663    443.782  351.588    216.990  38.917  10.349  24.903  7.4592  14.01393       12.75710  
1 1 1 10  78  9  o 22.797  1.5402  283.147    37.808   285.919    38.433   200.086    210.390  22.907  1.5583  20.477  7.3969  2.430401       7.559299  
1 1 1 10  78  10 o 10.622  2.6476  63.806     30.351   71.735     31.031   -111.1390  145.759  11.260  2.5974  11.204  5.1667  0.5638123E-01  5.782864  
1 1 1 10  78  11 o 38.893  1.9604  823.544    82.315   1197.22    489.417  812.666    83.505   44.525  10.346  38.630  2.0027  5.894817       10.53780  
1 1 1 10  78  12 o 64.312  3.2826  2264.36    227.894  2076.71    561.293  2301.40    249.373  59.553  8.9810  64.774  3.5682  -5.221127      9.663916  
1 1 1 10  78  13 o 25.824  1.5269  363.165    42.519   5.2184     470.762  366.109    42.693   23.195  10.076  25.929  1.5269  -2.734400      10.19081  
1 1 1 10  78  14 o 50.196  3.8001  1392.33    205.071  1522.59    520.621  1368.41    223.108  49.846  9.9911  49.655  4.1875  0.1913147      10.83317  
1 1 1 10  78  15 o 36.484  6.0471  770.951    230.592  1772.67    498.985  498.939    260.022  54.138  8.8129  28.742  8.0383  25.39581       11.92822  
1 1 1 10  78  16 o 27.210  9.2163  443.093    323.421  231.852    486.601  610.260    432.872  25.513  10.626  31.167  10.662  -5.653885      15.05256  
1 1 1 10  78  17 o 22.387  7.2209  293.006    199.242  0.0000     0.0000   293.006    199.242  ?       ?       22.387  7.2209  0.000000       7.220897  
1 1 1 10  78  18 o 42.737  5.9691  1068.71    268.760  0.0000     0.0000   1068.71    268.760  ?       ?       42.737  5.9691  0.000000       5.969102  
1 1 1 10  78  19 o 42.512  6.4246  1077.06    286.593  0.0000     0.0000   1077.06    286.593  ?       ?       42.512  6.4246  0.000000       6.424592  
1 1 1 10  78  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  78  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  79  0  o 132.619 3.1738  9568.93    455.889  9412.63    643.009  9726.91    646.454  131.220 4.5243  133.406 4.4740  -2.186462      6.362797  
1 1 1 10  79  1  o 66.953  3.0822  2438.33    223.512  2467.54    318.413  2409.95    313.823  67.058  4.4086  66.269  4.3972  0.7881775      6.226624  
1 1 1 10  79  2  o 112.139 2.9901  6839.00    363.174  6388.83    514.086  7287.48    513.128  108.121 4.3899  115.542 4.1003  -7.420937      6.006960  
1 1 1 10  79  3  o 126.003 3.0749  8637.87    419.646  8506.41    599.130  8764.48    587.965  124.731 4.4348  126.649 4.2863  -1.917664      6.167624  
1 1 1 10  79  4  o 41.188  3.8464  933.459    169.609  765.036    249.680  1077.77    231.119  36.678  6.5241  44.078  4.9253  -7.400124      8.174460  
1 1 1 10  79  5  o 137.901 3.1955  10354.15   477.281  10200.53   677.323  10505.67   672.656  136.487 4.5818  138.546 4.4826  -2.059036      6.409870  
1 1 1 10  79  6  f 128.246 3.1643  8956.64    439.536  9038.76    631.959  8879.69    611.731  128.454 4.5422  127.353 4.4349  1.101471       6.348226  
1 1 1 10  79  7  o 145.900 3.3897  11605.39   535.654  10762.42   781.668  12351.72   735.496  139.888 5.1591  150.128 4.5232  -10.23950      6.861156  
1 1 1 10  79  8  o 84.477  3.1509  3888.54    288.299  3551.12    433.582  4155.95    385.989  80.205  5.0164  87.152  4.0891  -6.947182      6.471855  
1 1 1 10  79  9  o 16.503  6.6690  71.216     184.442  100.179    442.505  65.126     202.908  24.039  10.082  16.994  6.9474  7.045111       12.24350  
1 1 1 10  79  10 o 33.363  4.8808  625.156    171.156  1174.87    481.047  545.480    183.140  44.174  10.252  30.931  5.6758  13.24343       11.71817  
1 1 1 10  79  11 o 58.104  3.4539  1850.94    216.384  2312.90    543.266  1763.83    235.904  63.384  8.0986  56.627  3.8695  6.756924       8.975493  
1 1 1 10  79  12 o 70.599  2.2137  2710.29    169.275  3292.04    227.922  1994.68    252.788  77.730  2.7073  60.187  3.8987  17.54214       4.746500  
1 1 1 10  79  13 o 74.179  3.0882  3007.08    248.118  3241.02    605.466  2959.86    272.007  75.026  7.5536  73.520  3.4159  1.505516       8.290083  
1 1 1 10  79  14 o 66.138  2.4706  2385.57    176.984  2473.17    239.427  2280.04    262.788  67.160  3.2915  64.249  3.7931  2.911278       5.022112  
1 1 1 10  79  15 o 51.198  4.5384  1470.48    249.058  1199.87    534.766  1545.43    281.445  42.594  11.376  52.293  5.0312  -9.699158      12.43932  
1 1 1 10  79  16 o 78.280  3.0439  3366.48    258.076  3055.22    626.571  3430.08    283.215  71.065  8.2965  78.912  3.3136  -7.846443      8.933771  
1 1 1 10  79  17 o 60.694  4.6340  2077.85    302.329  0.0000     0.0000   2077.85    302.329  ?       ?       60.694  4.6340  0.000000       4.633995  
1 1 1 10  79  18 o 19.934  7.6483  187.932    231.621  0.0000     0.0000   187.932    231.621  ?       ?       19.934  7.6483  0.000000       7.648335  
1 1 1 10  79  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  79  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  79  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  80  0  o 65.212  3.1489  2314.15    222.415  2156.09    303.052  2498.69    327.448  62.633  4.4972  67.446  4.5084  -4.813374      6.367949  
1 1 1 10  80  1  o 97.999  2.8529  5221.85    302.817  4987.90    409.505  5504.14    449.824  95.603  3.9547  100.392 4.1369  -4.789352      5.723078  
1 1 1 10  80  2  f 98.828  2.9506  5312.50    315.836  5254.82    444.855  5371.13    448.485  98.074  4.1879  99.156  4.1760  -1.081886      5.914178  
1 1 1 10  80  3  f 71.209  3.0746  2759.55    237.133  2488.62    343.371  3006.59    327.878  67.235  4.7456  74.077  4.1026  -6.841324      6.273129  
1 1 1 10  80  4  o 92.547  3.0095  4661.03    301.671  4627.53    425.270  4694.96    427.999  91.988  4.2684  92.657  4.2648  -0.6685867     6.033843  
1 1 1 10  80  5  o 57.104  3.3644  1783.14    207.169  1863.82    301.304  1710.79    285.311  58.095  4.8323  55.654  4.7795  2.440571       6.796721  
1 1 1 10  80  6  o 59.194  3.4091  1916.62    217.646  1998.16    325.283  1850.52    292.860  60.097  5.0440  57.898  4.7109  2.198257       6.901815  
1 1 1 10  80  7  o 103.136 3.1049  5794.74    346.839  5178.78    506.863  6337.15    475.633  97.098  4.8196  107.624 4.0803  -10.52689      6.314850  
1 1 1 10  80  8  o 14.288  6.1143  -1.4659    168.404  -253.5528  307.763  106.270    201.197  15.917  7.3983  17.872  7.0503  -1.955262      10.21966  
1 1 1 10  80  9  o 22.988  7.3206  293.216    205.280  -180.2533  443.181  422.547    231.626  20.672  9.3286  27.007  7.5987  -6.335003      12.03173  
1 1 1 10  80  10 o 28.555  5.6096  466.396    167.302  707.981    481.342  433.201    178.426  34.703  11.227  27.391  6.1633  7.312408       12.80713  
1 1 1 10  80  11 o 22.798  6.3267  299.358    161.733  534.561    472.533  268.149    172.129  31.251  11.108  21.794  6.6691  9.456808       12.95653  
1 1 1 10  80  12 o 48.835  3.8021  1315.92    199.523  1158.39    521.218  1342.97    215.973  43.125  11.095  49.268  4.0842  -6.142986      11.82288  
1 1 1 10  80  13 o 79.807  3.1166  3485.07    269.397  4025.77    632.874  3365.42    297.717  83.780  7.0396  78.318  3.5097  5.462753       7.866037  
1 1 1 10  80  14 o 51.322  3.8647  1461.39    213.249  1692.51    537.557  1418.23    232.311  52.148  9.8789  50.413  4.2956  1.735836       10.77243  
1 1 1 10  80  15 o 30.697  6.6241  561.447    213.780  644.358    499.288  542.835    236.561  32.053  11.416  29.929  7.3510  2.124218       13.57785  
1 1 1 10  80  16 o 18.619  1.7522  190.293    34.920   0.0000     0.0000   190.293    34.920   ?       ?       18.619  1.7522  0.000000       1.752243  
1 1 1 10  80  17 o 16.696  6.9952  57.397     212.717  0.0000     0.0000   57.397     212.717  ?       ?       16.696  6.9952  0.000000       6.995225  
1 1 1 10  80  18 f 38.742  6.5008  897.139    263.123  0.0000     0.0000   897.139    263.123  ?       ?       38.742  6.5008  0.000000       6.500786  
1 1 1 10  80  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  80  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  80  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  81  0  o 63.830  3.5868  2228.04    246.965  2045.97    459.198  2302.14    292.939  60.273  7.1750  64.771  4.1983  -4.497826      8.313045  
1 1 1 10  81  1  o 25.137  5.7814  361.756    154.121  271.463    212.613  461.742    223.734  22.546  7.4707  28.280  7.2656  -5.733755      10.42114  
1 1 1 10  81  2  o 92.239  2.9179  4628.56    291.513  4699.70    413.842  4558.51    410.699  92.736  4.1202  91.326  4.1520  1.410011       5.849392  
1 1 1 10  81  3  o 61.227  2.5485  2037.34    169.007  1871.67    203.553  2405.00    303.235  58.535  3.2231  66.181  4.2529  -7.645493      5.336219  
1 1 1 10  81  4  o 50.286  3.5811  1386.13    193.768  1261.01    282.538  1497.23    266.247  47.527  5.5959  52.036  4.7774  -4.509212      7.357828  
1 1 1 10  81  5  o 104.381 3.0098  5931.71    340.276  5971.50    483.112  5892.54    479.356  104.452 4.2703  103.761 4.2654  0.6915665      6.035632  
1 1 1 10  81  6  o 53.876  3.5681  1591.01    207.028  1481.92    311.127  1677.69    277.340  51.510  5.6706  55.095  4.6923  -3.584213      7.360250  
1 1 1 10  81  7  o 80.876  3.1782  3565.58    278.403  3360.95    411.297  3738.61    378.220  78.028  4.8915  82.499  4.2472  -4.471252      6.478046  
1 1 1 10  81  8  o 142.682 3.4589  11114.63   534.534  10188.81   788.758  11900.95   726.915  135.845 5.3608  147.206 4.5592  -11.36122      7.037346  
1 1 1 10  81  9  o 57.678  4.2340  1833.89    262.652  1744.98    522.946  1863.88    303.742  54.544  9.1779  57.983  4.8819  -3.439503      10.39555  
1 1 1 10  81  10 o 47.926  2.0694  1248.04    107.419  1278.96    125.827  1164.92    206.274  48.489  2.3958  45.884  4.1971  2.605476       4.832804  
1 1 1 10  81  11 o 60.816  3.4477  2029.83    226.168  2478.48    558.165  1941.70    247.387  65.441  8.0442  59.375  3.8679  6.066376       8.925794  
1 1 1 10  81  12 o 48.926  3.6802  1320.96    193.593  1392.73    529.591  1309.89    207.988  47.366  10.589  48.642  3.9827  -1.276180      11.31314  
1 1 1 10  81  13 o 21.591  6.4821  269.106    163.729  226.006    489.640  274.531    173.730  25.958  10.722  21.843  6.7027  4.115068       12.64469  
1 1 1 10  81  14 o 38.648  4.9264  848.430    201.530  1187.14    515.056  787.201    218.990  42.510  11.075  36.939  5.6534  5.571278       12.43478  
1 1 1 10  81  15 o 69.094  4.5782  2677.95    340.674  0.0000     0.0000   2677.95    340.674  ?       ?       69.094  4.5782  0.000000       4.578177  
1 1 1 10  81  16 o 30.747  9.6009  602.103    354.698  0.0000     0.0000   602.103    354.698  ?       ?       30.747  9.6009  0.000000       9.600923  
1 1 1 10  81  17 o 31.804  7.4314  622.525    251.381  0.0000     0.0000   622.525    251.381  ?       ?       31.804  7.4314  0.000000       7.431450  
1 1 1 10  81  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  81  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  81  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  82  0  o 42.692  6.8917  1036.11    307.818  793.711    432.688  1284.49    438.001  36.678  10.409  46.997  8.9312  -10.31906      13.71519  
1 1 1 10  82  1  o 114.156 3.0692  7093.97    379.487  6667.27    538.763  7514.11    534.612  110.340 4.5081  117.221 4.2108  -6.880905      6.168782  
1 1 1 10  82  2  o 120.825 3.0640  7947.59    400.980  7495.55    565.612  8404.33    568.542  116.995 4.4635  123.953 4.2348  -6.958000      6.152794  
1 1 1 10  82  3  o 60.304  3.2300  1986.75    210.204  1845.59    303.013  2117.70    291.849  57.785  4.8873  62.045  4.3708  -4.260185      6.556645  
1 1 1 10  82  4  o 60.697  3.2311  2013.14    211.649  2180.37    313.253  1872.67    287.090  62.887  4.6316  58.266  4.5862  4.620430       6.518079  
1 1 1 10  82  5  o 50.351  3.6383  1391.24    197.079  1338.16    291.264  1436.06    267.653  48.936  5.5959  50.888  4.9174  -1.952419      7.449470  
1 1 1 10  82  6  o 80.980  2.7304  3568.48    239.484  3265.14    309.265  4022.82    378.489  77.307  3.6935  85.728  4.0763  -8.420242      5.500724  
1 1 1 10  82  7  o 60.524  3.5789  2007.67    233.569  1927.29    361.952  2065.03    305.748  58.742  5.7632  61.139  4.6521  -2.397129      7.406496  
1 1 1 10  82  8  o 52.098  3.9402  1493.98    220.693  1618.04    352.564  1414.06    282.993  53.623  6.1837  50.355  5.2666  3.267738       8.122525  
1 1 1 10  82  9  o 19.591  7.2933  171.612    207.021  636.135    447.130  44.861     233.564  33.060  10.828  17.554  7.3404  15.50621       13.08158  
1 1 1 10  82  10 o 87.847  3.0456  4211.63    289.775  4570.08    673.239  4130.12    321.035  89.814  6.9755  86.907  3.4106  2.906662       7.764636  
1 1 1 10  82  11 o 31.746  5.3435  574.575    177.205  762.702    496.868  547.159    189.678  35.327  11.404  30.809  5.8991  4.518839       12.83935  
1 1 1 10  82  12 o 84.374  2.7669  3888.31    252.852  3620.40    402.698  4062.68    324.878  80.678  4.6278  86.030  3.4866  -5.351837      5.794191  
1 1 1 10  82  13 o 78.687  3.2031  3398.40    272.983  3713.34    641.889  3328.86    301.618  79.607  7.5342  77.748  3.5818  1.859222       8.342241  
1 1 1 10  82  14 o 55.222  2.2394  1663.58    133.943  1766.05    149.298  1240.84    303.232  56.862  2.4242  46.236  6.2123  10.62521       6.668511  
1 1 1 10  82  15 o 57.244  3.0394  1805.01    187.776  0.0000     0.0000   1805.01    187.776  ?       ?       57.244  3.0394  0.000000       3.039448  
1 1 1 10  82  16 f 29.322  10.216  537.786    398.215  0.0000     0.0000   537.786    398.215  ?       ?       29.322  10.216  0.000000       10.21611  
1 1 1 10  82  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  82  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  82  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  82  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  83  0  o 98.406  3.9875  5292.36    425.009  5063.53    542.840  5654.79    683.180  95.800  5.2516  100.861 6.2850  -5.061325      8.190296  
1 1 1 10  83  1  o 77.795  3.0542  3295.32    257.349  3413.92    367.161  3180.79    360.815  78.856  4.3152  76.087  4.3970  2.768295       6.160739  
1 1 1 10  83  2  o 46.598  3.9151  1194.77    195.764  1075.77    277.014  1313.49    276.691  43.721  6.0086  48.558  5.3497  -4.836941      8.045028  
1 1 1 10  83  3  o 26.593  5.8980  405.847    165.429  601.600    235.190  214.161    232.734  32.277  6.9342  21.332  7.7685  10.94468       10.41311  
1 1 1 10  83  4  o 12.116  5.3942  -51.9519   142.766  69.746     230.316  -127.8923  181.936  18.000  7.3851  12.658  5.8135  5.341837       9.398785  
1 1 1 10  83  5  o 29.634  5.5990  500.273    173.122  647.459    255.213  374.819    235.620  33.408  7.2605  25.676  7.7913  7.732077       10.64988  
1 1 1 10  83  6  o 16.951  6.3922  119.490    160.038  203.080    252.438  63.317     206.939  21.461  8.0410  17.091  7.0048  4.370167       10.66419  
1 1 1 10  83  7  o 75.709  3.2260  3126.51    264.532  3428.45    396.217  2883.68    355.325  78.843  4.6605  72.315  4.5599  6.528168       6.520197  
1 1 1 10  83  8  o 123.694 3.2222  8350.36    431.683  7904.99    628.908  8747.12    593.604  119.767 4.8482  126.201 4.3427  -6.434311      6.508797  
1 1 1 10  83  9  o 99.863  3.6278  5458.94    392.384  4622.88    724.707  5805.68    466.712  90.072  7.4966  102.802 4.1916  -12.72977      8.588874  
1 1 1 10  83  10 o 34.586  4.9852  675.151    181.351  612.450    491.355  685.039    195.128  32.579  11.348  34.738  5.3585  -2.159489      12.54976  
1 1 1 10  83  11 o 56.550  3.6425  1763.33    221.912  1807.42    557.375  1755.03    241.911  54.429  9.8157  56.315  3.9920  -1.885487      10.59642  
1 1 1 10  83  12 o 111.058 3.0192  6755.32    363.169  8578.28    810.787  6297.77    406.196  123.053 6.0834  107.023 3.5042  16.03008       7.020464  
1 1 1 10  83  13 o 17.955  6.6475  153.240    171.511  290.935    492.046  134.196    182.987  26.555  10.833  17.726  6.7989  8.828213       12.78973  
1 1 1 10  83  14 o 18.999  7.7330  114.742    250.008  0.0000     0.0000   114.742    250.008  ?       ?       18.999  7.7330  0.000000       7.732984  
1 1 1 10  83  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  83  16 o 24.114  9.0945  311.249    323.976  0.0000     0.0000   311.249    323.976  ?       ?       24.114  9.0945  0.000000       9.094471  
1 1 1 10  83  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  83  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  83  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  84  0  o 21.826  8.1434  211.610    258.380  211.610    258.380  0.0000     0.0000   21.826  8.1434  ?       ?       0.000000       8.143449  
1 1 1 10  84  1  o 76.492  6.8667  3284.24    562.841  0.0000     0.0000   3284.24    562.841  ?       ?       76.492  6.8667  0.000000       6.866738  
1 1 1 10  84  2  o 89.343  2.7440  4343.08    265.536  4226.67    350.922  4499.02    406.154  87.973  3.6829  90.664  4.1360  -2.690857      5.538091  
1 1 1 10  84  3  o 47.314  3.7579  1230.67    190.992  1294.98    283.295  1177.09    258.598  48.137  5.5343  45.928  5.2956  2.209911       7.659693  
1 1 1 10  84  4  o 54.732  3.5053  1641.73    206.706  1641.05    302.115  1642.33    283.431  54.340  5.1965  54.449  4.8571  -0.1089325     7.112987  
1 1 1 10  84  5  o 54.842  3.5391  1648.98    209.098  1391.16    307.859  1869.78    284.894  49.813  5.8155  58.188  4.5568  -8.375309      7.388164  
1 1 1 10  84  6  o 56.627  2.3211  1743.06    142.357  1759.25    165.378  1696.76    279.712  56.853  2.6857  55.357  4.7100  1.496178       5.421868  
1 1 1 10  84  7  o 45.144  4.3611  1129.31    210.584  1043.73    337.694  1183.76    269.376  42.416  7.6312  45.924  5.5266  -3.507687      9.422200  
1 1 1 10  84  8  o 98.158  3.1895  5260.91    339.094  4811.25    505.309  5629.30    457.368  93.179  5.0255  101.243 4.1709  -8.063835      6.530845  
1 1 1 10  84  9  o 67.873  3.9346  2537.70    288.005  2414.47    571.722  2579.60    333.398  64.315  8.4086  68.244  4.5363  -3.929123      9.554250  
1 1 1 10  84  10 o 48.072  3.8465  1278.37    198.597  1464.25    524.895  1247.31    214.547  48.683  10.277  47.378  4.2253  1.305408       11.11191  
1 1 1 10  84  11 o 49.110  2.1893  1313.61    116.450  1319.43    136.664  1298.18    222.491  49.099  2.5789  48.251  4.3024  0.8477097      5.016157  
1 1 1 10  84  12 o 10.700  5.1074  -208.0114  165.363  -29.7230   484.613  -231.5061  175.921  22.541  9.9916  10.905  5.2225  11.63553       11.27417  
1 1 1 10  84  13 o 18.903  6.7556  183.808    174.994  101.974    500.456  195.207    186.785  24.223  10.455  19.460  6.9769  4.763334       12.56948  
1 1 1 10  84  14 o 54.037  2.6214  1598.09    153.423  0.0000     0.0000   1598.09    153.423  ?       ?       54.037  2.6214  0.000000       2.621369  
1 1 1 10  84  15 o 30.372  9.1341  584.551    324.899  0.0000     0.0000   584.551    324.899  ?       ?       30.372  9.1341  0.000000       9.134137  
1 1 1 10  84  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  84  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  84  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  84  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  0  f 41.807  5.3754  978.643    237.771  1138.87    346.014  835.296    327.284  44.554  7.4322  37.803  8.2271  6.751030       11.08701  
1 1 1 10  85  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  2  o 22.631  7.0960  284.893    193.533  79.274     287.968  454.267    261.358  19.891  8.2199  28.043  8.1311  -8.151794      11.56207  
1 1 1 10  85  3  o 30.782  5.2792  536.364    169.670  555.219    258.589  522.109    224.836  30.835  7.7514  29.993  7.0416  0.8418350      10.47226  
1 1 1 10  85  4  o 31.904  5.2394  575.281    174.764  941.469    278.567  337.608    224.423  40.642  6.5510  24.497  7.6349  16.14507       10.06014  
1 1 1 10  85  5  o 67.535  2.2954  2479.29    167.904  2718.49    197.694  1860.09    318.067  70.683  2.5823  57.854  5.1291  12.82936       5.742456  
1 1 1 10  85  6  f 27.638  6.0514  440.762    176.125  762.210    272.369  209.757    230.894  36.235  7.1937  21.093  7.7291  15.14252       10.55880  
1 1 1 10  85  7  o 23.095  6.7537  305.802    179.625  574.621    290.699  139.772    228.458  31.151  8.4166  19.345  7.5481  11.80589       11.30546  
1 1 1 10  85  8  o 25.619  7.0584  383.127    202.119  366.706    329.226  393.060    256.052  26.235  9.2778  26.130  8.1570  0.1045666      12.35373  
1 1 1 10  85  9  o 73.884  3.8638  3008.93    308.123  3441.21    601.948  2855.45    358.675  77.376  7.2678  71.691  4.6442  5.685371       8.624925  
1 1 1 10  85  10 o 63.732  2.0929  2210.81    144.472  2249.71    541.346  2207.83    149.909  61.606  8.3264  63.676  2.1736  -2.070328      8.605409  
1 1 1 10  85  11 o 16.757  6.4978  111.232    168.497  -184.0604  498.309  149.353    179.043  21.336  9.7320  18.069  6.7716  3.267294       11.85605  
1 1 1 10  85  12 o 33.134  1.4748  596.332    52.926   613.692    54.880   365.526    200.109  33.610  1.5075  24.773  7.0951  8.836805       7.253531  
1 1 1 10  85  13 o 35.658  6.7887  755.269    252.613  0.0000     0.0000   755.269    252.613  ?       ?       35.658  6.7887  0.000000       6.788693  
1 1 1 10  85  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  85  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  0  o 147.962 3.3389  11942.50   535.094  11838.96   756.662  12046.09   756.811  146.773 4.7598  148.069 4.7190  -1.296799      6.702586  
1 1 1 10  86  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  3  o 44.887  5.0738  1124.15    242.344  1011.55    374.377  1205.36    317.948  41.469  8.6166  46.071  6.5568  -4.601917      10.82761  
1 1 1 10  86  4  o 116.688 3.1410  7427.17    396.972  7178.35    572.921  7656.93    550.553  114.237 4.6304  118.108 4.3038  -3.871002      6.321617  
1 1 1 10  86  5  o 18.075  6.4963  156.999    162.033  275.475    273.450  92.891     201.149  23.473  8.4389  17.510  7.0035  5.963800       10.96654  
1 1 1 10  86  6  o 106.205 3.0565  6155.59    351.598  6128.53    507.194  6180.64    487.839  105.525 4.4376  106.044 4.2474  -0.5188751     6.142661  
1 1 1 10  86  7  o 85.869  2.8088  4021.69    261.231  3912.50    344.401  4169.61    400.870  84.457  3.7650  87.035  4.2524  -2.578796      5.679615  
1 1 1 10  86  8  o 6.1346  2.6670  -5.6817    33.035   -11.3426   33.375   267.974    232.047  5.9268  2.6248  22.441  7.7997  -16.51375      8.229509  
1 1 1 10  86  9  f 62.852  2.7832  2158.21    189.466  2075.80    232.289  2322.00    327.486  61.386  3.5083  64.507  4.7200  -3.120358      5.881015  
1 1 1 10  86  10 o 59.244  2.3541  1914.24    151.061  1933.75    193.383  1883.70    241.949  59.338  3.0189  58.308  3.8529  1.030014       4.894752  
1 1 1 10  86  11 o 39.599  4.8717  888.240    204.540  1317.62    535.175  814.791    221.343  44.960  11.065  37.641  5.5998  7.319374       12.40125  
1 1 1 10  86  12 o 41.556  4.5226  972.720    200.274  631.831    539.357  1027.24    215.695  32.136  11.807  42.634  4.7519  -10.49740      12.72771  
1 1 1 10  86  13 o 52.349  7.0949  1620.97    391.917  0.0000     0.0000   1620.97    391.917  ?       ?       52.349  7.0949  0.000000       7.094939  
1 1 1 10  86  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  86  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  0  o 65.781  3.2162  2360.58    229.148  2198.57    321.728  2527.39    326.451  63.044  4.7465  67.693  4.4778  -4.648998      6.525307  
1 1 1 10  87  1  o 14.386  6.0201  24.852     157.252  178.835    229.081  -112.3636  216.249  20.319  7.6508  14.300  6.4789  6.019115       10.02549  
1 1 1 10  87  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  3  o 39.624  8.8070  931.550    368.167  931.550    368.167  0.0000     0.0000   39.624  8.8070  ?       ?       0.000000       8.807047  
1 1 1 10  87  4  o 52.630  4.6242  1536.74    260.922  1428.16    369.878  1644.30    368.128  49.948  7.0318  53.875  6.4361  -3.927639      9.532510  
1 1 1 10  87  5  o 27.443  6.7285  439.674    198.458  859.380    369.170  269.085    235.359  37.818  9.1188  22.627  7.8557  15.19105       12.03599  
1 1 1 10  87  6  o 17.466  6.7029  122.488    177.922  3.4984     291.334  193.266    224.692  18.547  7.9914  20.449  7.6010  -1.901663      11.02895  
1 1 1 10  87  7  o 28.591  6.0664  475.240    182.041  271.948    316.026  576.192    222.701  23.912  8.9895  31.347  6.7581  -7.435904      11.24648  
1 1 1 10  87  8  o 44.903  4.6625  1129.87    223.455  1129.41    363.557  1130.15    283.280  43.560  8.0006  44.416  6.0456  -0.8561401     10.02789  
1 1 1 10  87  9  o 63.783  4.1543  2259.69    285.428  2198.82    569.166  2280.14    329.911  60.284  8.9921  63.804  4.8093  -3.520802      10.19740  
1 1 1 10  87  10 o 31.825  5.5653  585.530    184.850  709.977    493.965  565.265    199.334  33.540  11.390  31.062  6.1425  2.477556       12.94057  
1 1 1 10  87  11 o 6.1119  2.6856  -8.8975    34.288   -4.9820    34.929   -112.5939  179.754  6.3426  2.7499  12.621  5.7897  -6.277936      6.409544  
1 1 1 10  87  12 o 15.229  6.7996  -63.6283   228.607  0.0000     0.0000   -63.6283   228.607  ?       ?       15.229  6.7996  0.000000       6.799592  
1 1 1 10  87  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  87  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  88  0  o 82.565  2.6830  3712.32    239.932  3505.93    308.570  4027.91    381.565  80.069  3.5581  85.684  4.1115  -5.614693      5.437315  
1 1 1 10  88  1  o 50.217  3.6220  1386.66    195.677  1310.71    290.527  1449.73    264.727  48.287  5.6626  51.054  4.8455  -2.766834      7.452735  
1 1 1 10  88  2  o 56.034  5.7070  1761.66    341.527  1735.64    488.300  1786.58    477.855  54.482  8.5570  55.449  8.2044  -0.9669838     11.85473  
1 1 1 10  88  3  o 36.254  10.586  800.178    441.626  800.178    441.626  0.0000     0.0000   36.254  10.586  ?       ?       0.000000       10.58622  
1 1 1 10  88  4  o 47.634  4.7559  1265.46    242.092  1172.56    358.261  1343.53    328.422  44.832  7.6527  48.549  6.4018  -3.716793      9.977336  
1 1 1 10  88  5  o 60.705  4.4443  2043.91    290.180  2611.80    463.725  1678.42    372.018  67.860  6.3842  54.255  6.4575  13.60515       9.080659  
1 1 1 10  88  6  o 41.125  5.0925  953.708    221.984  683.828    458.729  1036.23    253.662  33.516  10.967  42.715  5.6192  -9.199112      12.32283  
1 1 1 10  88  7  o 19.435  6.8835  193.441    181.292  295.866    310.398  140.411    223.346  24.203  8.9462  19.049  7.4547  5.154497       11.64506  
1 1 1 10  88  8  o 103.815 3.2648  5913.57    367.097  5591.79    546.629  6177.91    495.444  99.923  5.0674  105.588 4.3322  -5.665398      6.666808  
1 1 1 10  88  9  o 95.600  3.7051  5037.64    383.642  4803.84    718.895  5130.73    453.637  90.798  7.3737  96.159  4.3556  -5.360458      8.564046  
1 1 1 10  88  10 o 21.557  6.6743  268.624    171.825  116.182    481.810  290.837    183.918  24.164  10.341  22.364  6.9021  1.800158       12.43314  
1 1 1 10  88  11 o 15.503  6.4204  51.592     176.226  0.0000     0.0000   51.592     176.226  ?       ?       15.503  6.4204  0.000000       6.420385  
1 1 1 10  88  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  88  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  88  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  88  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  88  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  0  o 43.515  4.0658  1048.91    189.406  1093.83    283.797  1012.83    254.339  43.843  6.1453  42.305  5.6955  1.537979       8.378746  
1 1 1 10  89  1  o 29.544  5.8635  502.929    181.007  641.797    273.094  394.126    241.732  32.932  7.7801  26.078  7.8869  6.854244       11.07846  
1 1 1 10  89  2  o 21.798  6.6999  269.504    173.503  456.418    268.672  135.792    227.240  27.881  8.2885  19.164  7.5139  8.717039       11.18741  
1 1 1 10  89  3  o 64.957  5.2783  2360.09    368.140  2264.23    528.813  2450.24    512.813  62.356  8.0154  65.230  7.3888  -2.873932      10.90143  
1 1 1 10  89  4  o 71.131  5.0057  2822.18    383.188  2712.74    557.888  2919.94    527.231  68.426  7.6590  71.445  6.8991  -3.019508      10.30814  
1 1 1 10  89  5  o 39.920  5.6899  909.066    239.057  1405.49    404.199  642.002    296.466  48.817  7.9157  32.614  8.3553  16.20267       11.50953  
1 1 1 10  89  6  o 42.530  5.5157  1029.18    248.095  1063.18    440.916  1013.43    300.112  41.248  9.9779  41.659  6.8922  -0.4117775     12.12690  
1 1 1 10  89  7  o 21.741  7.6786  250.522    225.438  168.486    425.776  282.480    265.744  23.964  9.9564  23.151  8.3196  0.8124657      12.97481  
1 1 1 10  89  8  o 29.196  6.8292  506.730    212.109  527.019    365.161  496.399    260.576  29.576  9.7901  28.655  8.0585  0.9208584      12.68010  
1 1 1 10  89  9  o 36.715  6.2867  786.305    241.003  603.232    504.161  840.531    274.383  31.674  11.449  37.698  6.9770  -6.023386      13.40753  
1 1 1 10  89  10 o 91.427  3.0640  4586.51    303.416  5174.60    438.134  4044.56    420.594  96.567  4.1890  85.061  4.5821  11.50531       6.208336  
1 1 1 10  89  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  89  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  90  0  o 84.842  3.0635  3934.13    281.512  3905.25    396.904  3963.38    399.343  84.024  4.3764  84.652  4.3704  -0.6270752     6.184930  
1 1 1 10  90  1  o 42.359  4.2745  998.912    193.431  884.833    278.048  1105.90    269.268  39.027  6.8264  44.124  5.7728  -5.096272      8.940097  
1 1 1 10  90  2  o 56.201  3.5578  1739.55    215.452  1885.75    313.014  1607.93    297.006  58.055  5.0276  53.520  5.1888  4.535542       7.224990  
1 1 1 10  90  3  o 58.779  4.2311  1916.32    267.569  2066.94    505.688  1857.76    315.326  59.303  8.0835  57.559  5.1111  1.744286       9.563786  
1 1 1 10  90  4  o 29.245  8.5859  514.290    289.797  738.993    438.448  339.966    386.181  34.440  10.661  26.199  9.9175  8.240656       14.56098  
1 1 1 10  90  5  o 42.267  5.6596  1019.63    252.586  1011.42    319.121  1033.40    413.289  41.387  7.3901  40.846  9.5182  0.5412445      12.05029  
1 1 1 10  90  6  o 21.167  7.3350  240.979    205.148  -48.0608   301.740  489.432    279.754  17.923  7.9172  28.491  8.4550  -10.56797      11.58311  
1 1 1 10  90  7  o 46.887  5.6188  1253.24    279.662  1010.23    483.239  1375.62    342.923  39.583  10.917  48.674  6.6810  -9.090401      12.79943  
1 1 1 10  90  8  o 23.626  7.9661  316.026    241.618  -129.0061  504.031  448.805    275.313  21.980  9.9311  27.342  8.4457  -5.361322      13.03673  
1 1 1 10  90  9  o 10.061  4.9673  -415.1018  196.258  0.0000     0.0000   -415.1018  196.258  ?       ?       10.061  4.9673  0.000000       4.967313  
1 1 1 10  90  10 o 39.399  10.905  1021.39    481.165  0.0000     0.0000   1021.39    481.165  ?       ?       39.399  10.905  0.000000       10.90506  
1 1 1 10  90  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  90  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  90  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  90  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  90  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  0  o 36.092  4.8978  736.085    186.515  708.970    262.825  763.594    264.729  34.628  7.2405  36.044  7.0336  -1.415657      10.09438  
1 1 1 10  91  1  f 59.891  3.5585  1976.66    229.797  1744.05    336.599  2179.72    314.491  55.498  5.6797  62.519  4.6783  -7.020790      7.358332  
1 1 1 10  91  2  o 72.397  3.2774  2873.28    256.996  2869.61    377.287  2876.45    351.027  71.669  4.8896  71.910  4.5301  -0.2412720     6.665580  
1 1 1 10  91  3  o 44.900  4.1938  1123.20    201.586  997.080    305.869  1220.05    268.033  41.224  7.1070  46.388  5.4380  -5.163628      8.948808  
1 1 1 10  91  4  o 33.745  8.2124  690.447    297.315  893.653    447.118  529.375    398.075  37.527  10.557  29.897  10.224  7.629990       14.69641  
1 1 1 10  91  5  o 30.220  8.6280  555.428    296.380  912.306    460.190  302.483    387.428  37.814  10.736  25.442  9.8566  12.37191       14.57410  
1 1 1 10  91  6  o 11.753  2.7842  78.539     34.897   73.407     35.055   641.980    367.313  11.365  2.8523  32.176  9.7200  -20.81118      10.12987  
1 1 1 10  91  7  o 32.163  6.3746  607.669    214.214  666.584    347.729  571.636    271.943  32.732  9.3457  30.651  8.0778  2.081560       12.35282  
1 1 1 10  91  8  o 36.199  7.0714  779.551    267.309  1548.22    528.839  515.762    309.799  49.407  10.220  29.044  8.9570  20.36313       13.58928  
1 1 1 10  91  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  91  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  92  0  o 28.650  6.0392  479.194    181.495  581.091    259.404  381.479    254.027  31.107  7.7326  25.585  8.1431  5.522181       11.22954  
1 1 1 10  92  1  o 56.933  2.1786  1765.14    134.339  1857.60    150.660  1406.38    296.765  58.373  2.3830  49.772  5.6024  8.600723       6.088123  
1 1 1 10  92  2  o 17.780  6.5966  146.138    169.079  249.238    250.719  60.140     228.983  22.157  8.0639  17.503  7.2892  4.654512       10.87015  
1 1 1 10  92  3  o 22.103  6.8563  280.891    181.224  350.931    292.226  237.122    231.010  25.134  8.7519  21.507  7.7537  3.626886       11.69256  
1 1 1 10  92  4  o 35.055  6.1078  713.200    223.477  937.208    452.806  641.066    256.952  38.360  10.563  32.738  7.4182  5.621922       12.90777  
1 1 1 10  92  5  o 31.133  8.5665  592.463    297.942  520.708    461.337  643.804    390.237  30.087  10.940  32.208  10.073  -2.121700      14.87104  
1 1 1 10  92  6  o 40.199  7.5603  964.409    317.096  1240.30    499.988  778.774    410.128  43.986  10.616  35.052  10.192  8.934113       14.71663  
1 1 1 10  92  7  o 75.593  4.3537  3184.32    354.953  3052.83    445.902  3411.75    586.456  73.305  5.6599  76.474  7.1638  -3.168480      9.129852  
1 1 1 10  92  8  o 51.742  9.3574  1661.69    505.102  0.0000     0.0000   1661.69    505.102  ?       ?       51.742  9.3574  0.000000       9.357430  
1 1 1 10  92  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  92  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  92  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  92  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  92  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  0  o 14.967  1.6845  123.245    26.833   123.534    27.001   100.330    240.485  14.983  1.6936  18.625  7.5830  -3.642263      7.769776  
1 1 1 10  93  1  o 10.048  4.8623  -254.0960  162.127  -266.4727  238.988  -243.5439  220.670  13.140  6.2345  12.678  6.0082  0.4620419      8.658324  
1 1 1 10  93  2  o 31.190  1.5009  528.271    50.704   537.101    52.104   370.547    220.214  31.448  1.5297  25.074  7.5152  6.373466       7.669333  
1 1 1 10  93  3  o 58.211  3.6095  1871.49    226.450  2036.79    339.063  1738.39    304.255  60.098  5.2620  55.551  5.1142  4.546825       7.337793  
1 1 1 10  93  4  f 38.747  4.5409  844.719    186.958  885.865    281.685  812.323    249.949  38.779  6.9623  37.319  6.4149  1.460293       9.467055  
1 1 1 10  93  5  o 58.560  4.3291  1912.53    272.635  1864.55    517.419  1930.96    320.778  55.356  8.9342  58.514  5.1128  -3.158279      10.29366  
1 1 1 10  93  6  o 66.429  3.0931  2420.65    222.547  2435.97    248.901  2359.59    496.946  66.443  3.4707  63.387  7.3763  3.055607       8.151989  
1 1 1 10  93  7  o 37.762  10.893  932.068    470.119  0.0000     0.0000   932.068    470.119  ?       ?       37.762  10.893  0.000000       10.89260  
1 1 1 10  93  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  93  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  0  o 68.360  3.3692  2566.27    249.459  2726.58    356.555  2412.57    349.138  69.844  4.7414  65.589  4.9512  4.255272       6.855317  
1 1 1 10  94  1  o 64.087  2.6243  2243.34    182.163  2185.04    217.135  2381.89    334.720  63.043  3.1903  65.241  4.7700  -2.197433      5.738543  
1 1 1 10  94  2  f 76.639  3.2202  3222.77    267.306  3186.95    384.539  3256.26    371.836  75.514  4.7254  76.437  4.5113  -0.9235916     6.533087  
1 1 1 10  94  3  o 53.672  3.8290  1597.28    221.128  1502.03    332.132  1673.11    296.362  51.126  6.1194  54.464  5.0827  -3.337524      7.954925  
1 1 1 10  94  4  o 25.785  6.5248  394.313    182.373  378.208    267.625  408.275    249.188  25.467  8.3789  26.171  8.0268  -0.7038212     11.60326  
1 1 1 10  94  5  o 26.901  6.9374  432.693    203.444  504.542    446.978  413.919    228.483  29.512  10.763  26.269  7.5985  3.242996       13.17492  
1 1 1 10  94  6  o 20.119  8.7995  -0.7174    364.353  0.0000     0.0000   -0.7174    364.353  ?       ?       20.119  8.7995  0.000000       8.799469  
1 1 1 10  94  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  94  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  0  o 25.988  6.3072  398.806    175.736  194.553    269.303  550.291    231.921  21.208  8.2174  30.331  7.1725  -9.122181      10.90729  
1 1 1 10  95  1  o 30.864  5.9080  554.952    190.305  483.378    278.712  617.467    260.475  28.270  8.4506  31.996  7.6245  -3.726923      11.38177  
1 1 1 10  95  2  o 46.536  1.9487  1178.66    98.223   1192.57    105.106  1082.77    275.962  46.795  2.0738  43.331  6.0447  3.464211       6.390554  
1 1 1 10  95  3  o 48.880  4.0697  1331.11    213.499  1428.24    324.892  1257.29    283.241  49.786  6.1563  46.876  5.6958  2.910080       8.386991  
1 1 1 10  95  4  f 27.913  6.9557  466.663    209.527  252.324    443.467  528.261    237.735  25.299  10.298  29.572  7.4313  -4.272617      12.69967  
1 1 1 10  95  5  o 39.572  9.7732  996.037    416.409  0.0000     0.0000   996.037    416.409  ?       ?       39.572  9.7732  0.000000       9.773170  
1 1 1 10  95  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  95  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  0  o 19.590  7.0144  197.091    188.742  29.903     283.725  329.807    252.788  18.492  7.9255  24.071  8.1480  -5.579241      11.36677  
1 1 1 10  96  1  o 43.482  4.5783  1063.74    212.376  1010.22    320.327  1105.72    283.690  41.147  7.4624  43.705  6.1641  -2.558033      9.679051  
1 1 1 10  96  2  o 19.702  6.6215  213.717    166.931  535.119    265.095  2.5344     214.885  29.612  8.0527  15.882  6.8532  13.72965       10.57420  
1 1 1 10  96  3  o 59.056  5.6511  1988.63    357.056  2104.32    523.742  1888.17    488.052  59.051  8.4278  55.977  8.3015  3.074718       11.82974  
1 1 1 10  96  4  o 52.182  8.3570  1650.08    456.387  0.0000     0.0000   1650.08    456.387  ?       ?       52.182  8.3570  0.000000       8.356990  
1 1 1 10  96  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  96  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  0  o 34.333  5.5037  679.745    197.746  631.848    284.534  724.492    275.020  32.096  8.1653  34.647  7.5427  -2.550789      11.11595  
1 1 1 10  97  1  f 28.581  7.0334  490.546    216.247  400.092    436.138  520.031    249.012  27.503  10.509  29.243  7.7407  -1.740353      13.05184  
1 1 1 10  97  2  o 18.837  1.4137  193.797    28.634   195.887    28.709   -201.9587  395.050  18.940  1.4096  18.588  8.5478  0.3519211      8.663295  
1 1 1 10  97  3  o 37.836  10.036  920.137    418.011  0.0000     0.0000   920.137    418.011  ?       ?       37.836  10.036  0.000000       10.03578  
1 1 1 10  97  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  97  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  98  0  o 25.793  8.8080  387.635    295.423  223.129    417.154  553.149    418.431  24.351  9.9589  30.101  10.473  -5.749619      14.45213  
1 1 1 10  98  1  o 18.487  8.5078  -203.0201  392.348  0.0000     0.0000   -203.0201  392.348  ?       ?       18.487  8.5078  0.000000       8.507751  
1 1 1 10  98  2  o 24.469  9.8864  245.769    405.264  0.0000     0.0000   245.769    405.264  ?       ?       24.469  9.8864  0.000000       9.886445  
1 1 1 10  98  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  98  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  98  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  98  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  98  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  0  o 24.234  10.441  115.132    497.214  0.0000     0.0000   115.132    497.214  ?       ?       24.234  10.441  0.000000       10.44095  
1 1 1 10  99  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  99  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  100 0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  100 1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  100 2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  100 3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  100 4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 10  101 0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  0   0  o 480.553 11.412  125409.90  5932.05  125409.90  5932.05  125409.90  5932.05  480.553 11.412  480.553 11.412  0.000000       0.000000  
1 1 1 11  0   1  o 503.681 11.923  137786.50  6496.08  137786.50  6496.08  137786.50  6496.08  503.681 11.923  503.681 11.923  0.000000       0.000000  
1 1 1 11  0   2  o 477.050 11.325  123590.40  5844.08  123590.40  5844.08  123590.40  5844.08  477.050 11.325  477.050 11.325  0.000000       0.000000  
1 1 1 11  0   3  o 704.326 16.445  269745.41  12529.60 269745.41  12529.60 269745.41  12529.60 704.326 16.445  704.326 16.445  0.000000       0.000000  
1 1 1 11  0   4  o 265.015 6.7473  38125.08   1933.89  38125.08   1933.89  38125.08   1933.89  265.015 6.7473  265.015 6.7473  0.000000       0.000000  
1 1 1 11  0   5  f 241.138 6.2583  31565.89   1632.04  31565.89   1632.04  31565.89   1632.04  241.138 6.2583  241.138 6.2583  0.000000       0.000000  
1 1 1 11  0   6  o 172.514 4.9230  16160.72   918.169  16160.72   918.169  16160.72   918.169  172.514 4.9230  172.514 4.9230  0.000000       0.000000  
1 1 1 11  0   7  o 36.709  4.1677  757.733    160.193  757.733    160.193  757.733    160.193  36.709  4.1677  36.709  4.1677  0.000000       0.000000  
1 1 1 11  0   8  o 55.429  3.5864  1684.97    213.245  1684.97    213.245  1684.97    213.245  55.429  3.5864  55.429  3.5864  0.000000       0.000000  
1 1 1 11  0   9  o 147.766 4.4674  11861.06   713.510  11861.06   713.510  11861.06   713.510  147.766 4.4674  147.766 4.4674  0.000000       0.000000  
1 1 1 11  0   10 o 104.322 3.8786  5920.01    436.873  5920.01    436.873  5920.01    436.873  104.322 3.8786  104.322 3.8786  0.000000       0.000000  
1 1 1 11  0   11 o 76.254  3.7694  3173.09    309.587  3173.09    309.587  3173.09    309.587  76.254  3.7694  76.254  3.7694  0.000000       0.000000  
1 1 1 11  0   12 o 239.719 8.8790  31318.28   2298.16  31318.28   2298.16  31318.28   2298.16  239.719 8.8790  239.719 8.8790  0.000000       0.000000  
1 1 1 11  0   13 o 268.850 9.7494  39417.52   2830.49  39417.52   2830.49  39417.52   2830.49  268.850 9.7494  268.850 9.7494  0.000000       0.000000  
1 1 1 11  0   14 f 193.852 7.7318  20492.69   1617.52  20492.69   1617.52  20492.69   1617.52  193.852 7.7318  193.852 7.7318  0.000000       0.000000  
1 1 1 11  0   15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  0   16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  0   17 o 84.458  4.3452  3897.27    395.083  3897.27    395.083  3897.27    395.083  84.458  4.3452  84.458  4.3452  0.000000       0.000000  
1 1 1 11  0   18 o 141.940 4.6505  10959.87   713.213  10959.87   713.213  10959.87   713.213  141.940 4.6505  141.940 4.6505  0.000000       0.000000  
1 1 1 11  0   19 o 199.063 5.5548  21556.67   1195.53  21556.67   1195.53  21556.67   1195.53  199.063 5.5548  199.063 5.5548  0.000000       0.000000  
1 1 1 11  0   20 o 156.992 4.8646  13414.13   825.371  13414.13   825.371  13414.13   825.371  156.992 4.8646  156.992 4.8646  0.000000       0.000000  
1 1 1 11  0   21 o 36.881  8.4070  846.541    292.650  846.541    292.650  846.541    292.650  36.881  8.4070  36.881  8.4070  0.000000       0.000000  
1 1 1 11  0   22 o 85.087  4.4771  3966.32    409.995  3966.32    409.995  3966.32    409.995  85.087  4.4771  85.087  4.4771  0.000000       0.000000  
1 1 1 11  0   23 o 85.978  4.5363  4055.46    419.751  4055.46    419.751  4055.46    419.751  85.978  4.5363  85.978  4.5363  0.000000       0.000000  
1 1 1 11  0   24 o 142.194 5.0094  11070.19   769.326  11070.19   769.326  11070.19   769.326  142.194 5.0094  142.194 5.0094  0.000000       0.000000  
1 1 1 11  0   25 o 142.665 4.7629  11148.97   734.109  11148.97   734.109  11148.97   734.109  142.665 4.7629  142.665 4.7629  0.000000       0.000000  
1 1 1 11  0   26 o 70.601  4.8028  2763.52    363.366  2763.52    363.366  2763.52    363.366  70.601  4.8028  70.601  4.8028  0.000000       0.000000  
1 1 1 11  0   27 o 28.786  9.4629  590.490    261.796  590.490    261.796  590.490    261.796  28.786  9.4629  28.786  9.4629  0.000000       0.000000  
1 1 1 11  0   28 o 25.861  11.691  563.599    352.286  563.599    352.286  563.599    352.286  25.861  11.691  25.861  11.691  0.000000       0.000000  
1 1 1 11  0   29 o 57.882  6.6504  1944.80    402.658  1944.80    402.658  1944.80    402.658  57.882  6.6504  57.882  6.6504  0.000000       0.000000  
1 1 1 11  0   30 o 16.676  10.145  191.541    343.122  191.541    343.122  191.541    343.122  16.676  10.145  16.676  10.145  0.000000       0.000000  
1 1 1 11  0   31 o 11.147  7.7669  -238.3462  337.745  -238.3462  337.745  -238.3462  337.745  11.147  7.7669  11.147  7.7669  0.000000       0.000000  
1 1 1 11  0   32 o 36.489  11.028  1016.35    380.167  1016.35    380.167  1016.35    380.167  36.489  11.028  36.489  11.028  0.000000       0.000000  
1 1 1 11  0   33 o 45.813  9.1452  1428.76    402.759  1428.76    402.759  1428.76    402.759  45.813  9.1452  45.813  9.1452  0.000000       0.000000  
1 1 1 11  0   34 o 18.122  10.820  347.588    375.699  347.588    375.699  347.588    375.699  18.122  10.820  18.122  10.820  0.000000       0.000000  
1 1 1 11  1   0  o 653.863 15.299  232449.59  10835.12 232449.59  10835.12 0.0000     0.0000   653.863 15.299  ?       ?       0.000000       15.29948  
1 1 1 11  1   1  o 514.881 8.5589  143746.50  4773.03  147059.80  6750.12  140433.20  6750.04  520.469 11.974  508.578 12.254  11.89090       17.13309  
1 1 1 11  1   2  o 889.838 29.531  435338.81  28462.02 435338.81  28462.02 0.0000     0.0000   889.838 29.531  ?       ?       0.000000       29.53144  
1 1 1 11  1   3  o 594.291 9.8041  191599.00  6310.69  178516.00  8924.25  204684.41  8925.09  573.069 14.378  613.783 13.425  -40.71344      19.67142  
1 1 1 11  1   4  o 464.020 7.8007  116738.70  3920.51  117619.70  5544.46  115857.60  5544.41  465.502 10.997  461.994 11.080  3.508270       15.61094  
1 1 1 11  1   5  o 459.832 7.6788  114645.40  3824.39  114279.80  5408.45  115011.10  5408.54  458.823 10.883  460.292 10.849  -1.469299      15.36679  
1 1 1 11  1   6  o 416.129 7.0689  93880.63   3186.02  93257.47   4505.82  94503.71   4505.60  414.513 10.036  417.280 9.9691  -2.766663      14.14587  
1 1 1 11  1   7  o 126.007 2.9331  8600.55    400.301  8863.10    566.388  8338.51    565.834  127.903 4.0885  124.059 4.2111  3.844543       5.869318  
1 1 1 11  1   8  o 304.806 5.3782  50357.01   1775.53  48826.32   2511.19  51887.20   2510.76  300.000 7.7284  309.277 7.4953  -9.276733      10.76600  
1 1 1 11  1   9  f 382.325 6.5199  79276.75   2699.87  78794.88   3818.03  79758.70   3818.35  380.876 9.2552  383.206 9.1997  -2.329193      13.04962  
1 1 1 11  1   10 o 301.578 5.2989  49310.97   1730.85  48648.65   2448.03  49973.04   2447.56  299.368 7.5499  303.425 7.4475  -4.057159      10.60502  
1 1 1 11  1   11 o 273.091 5.4723  40447.87   1618.62  37411.43   2799.53  41972.63   1983.82  262.207 9.8576  278.099 6.5862  -15.89203      11.85537  
1 1 1 11  1   12 o 168.270 7.0699  15377.90   1288.52  15377.90   1288.52  0.0000     0.0000   168.270 7.0699  ?       ?       0.000000       7.069916  
1 1 1 11  1   13 o 94.047  3.3247  4793.41    338.660  4828.12    596.266  4776.88    411.470  94.133  5.8777  93.869  4.0471  0.2645035      7.136242  
1 1 1 11  1   14 o 250.277 6.4763  34028.00   1755.57  32694.42   2479.06  35369.54   2486.45  244.911 9.3456  254.792 9.0100  -9.880661      12.98155  
1 1 1 11  1   15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  1   16 o 155.914 4.8186  13192.66   813.728  12153.97   1155.97  14212.91   1145.67  149.460 7.1409  161.685 6.5421  -12.22510      9.684599  
1 1 1 11  1   17 o 109.654 3.4013  6519.35    403.960  6662.52    492.175  6223.79    707.133  110.822 4.1004  106.822 6.1376  3.999413       7.381258  
1 1 1 11  1   18 o 41.733  4.5175  956.526    200.936  1047.81    285.478  866.899    282.873  43.446  6.2462  39.331  6.8914  4.115124       9.300908  
1 1 1 11  1   19 o 91.540  3.1868  4544.50    315.963  4537.58    450.024  4551.22    443.720  91.401  4.5458  91.543  4.4752  -0.1413956     6.379033  
1 1 1 11  1   20 o 43.042  4.6782  1019.01    214.582  972.079    304.884  1065.07    302.064  41.628  7.0112  43.700  6.5863  -2.072418      9.619587  
1 1 1 11  1   21 o 85.806  3.2145  3997.43    298.746  3682.75    422.595  4311.81    422.388  82.098  4.7731  89.020  4.3808  -6.922005      6.478742  
1 1 1 11  1   22 f 14.298  6.2334  -33.2816   181.542  -204.2939  247.133  167.173    267.562  14.417  6.6762  21.254  8.2031  -6.837074      10.57654  
1 1 1 11  1   23 o 64.178  3.5092  2249.83    243.001  2273.51    335.565  2223.72    352.360  64.265  4.8568  63.485  5.1693  0.7805176      7.092951  
1 1 1 11  1   24 o 58.829  3.7506  1897.10    237.738  1862.31    332.926  1933.29    339.598  57.921  5.3679  59.022  5.3710  -1.101284      7.593554  
1 1 1 11  1   25 o 47.099  4.4259  1228.57    223.130  1329.12    310.660  1121.43    320.684  48.563  6.0364  44.276  6.9131  4.287319       9.177658  
1 1 1 11  1   26 o 61.863  3.6311  2103.57    242.236  2339.92    339.218  1857.64    346.030  64.890  4.8618  57.521  5.6262  7.369263       7.435829  
1 1 1 11  1   27 o 53.891  4.0773  1609.94    236.232  1665.15    334.246  1554.83    333.918  54.198  5.7833  52.261  6.0085  1.936329       8.339566  
1 1 1 11  1   28 o 19.488  7.4284  169.740    217.605  209.951    340.750  142.048    282.775  22.871  9.1266  20.417  8.2552  2.454412       12.30621  
1 1 1 11  1   29 o 37.283  6.6615  825.063    259.130  891.583    361.723  754.938    371.397  37.570  9.0063  34.274  9.6144  3.295750       13.17379  
1 1 1 11  1   30 o 51.168  5.0264  1507.13    274.969  1237.46    385.233  1787.21    392.602  44.116  8.3685  54.492  6.7999  -10.37626      10.78289  
1 1 1 11  1   31 o 17.743  7.4897  99.171     246.828  96.306     347.603  102.085    350.551  19.706  8.6074  19.835  8.6544  -0.1294193     12.20598  
1 1 1 11  1   32 o 25.169  8.2353  442.380    258.664  408.541    363.446  477.112    368.212  24.262  9.5055  25.516  9.6780  -1.253725      13.56536  
1 1 1 11  1   33 o 14.956  6.8656  -59.1502   253.341  33.404     355.454  -154.7051  361.169  18.178  8.2635  16.413  7.7505  1.765192       11.32943  
1 1 1 11  1   34 o 21.516  7.8304  331.477    236.408  439.293    372.627  258.845    305.841  23.400  9.4711  20.248  8.4276  3.151892       12.67774  
1 1 1 11  2   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  2   1  o 587.032 13.795  187230.91  8771.11  189834.41  12403.82 184627.00  12404.63 590.162 19.405  581.958 19.680  8.203918       27.63787  
1 1 1 11  2   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  2   3  f 640.975 12.183  223095.00  8457.86  217159.20  10358.62 234967.00  14649.71 631.930 15.134  656.170 20.613  -24.24030      25.57237  
1 1 1 11  2   4  o 380.593 6.4972  78507.23   2678.30  77641.07   3787.94  79373.17   3787.44  378.332 9.2440  382.535 9.1412  -4.203735      13.00051  
1 1 1 11  2   5  o 263.669 4.6875  37666.27   1338.66  40172.50   1892.84  35158.40   1893.45  272.247 6.4192  254.676 6.8643  17.57147       9.398124  
1 1 1 11  2   6  o 481.016 8.0649  125483.10  4201.71  126640.60  5942.25  124325.70  5941.99  482.887 11.361  478.441 11.467  4.446411       16.14204  
1 1 1 11  2   7  o 535.066 8.8528  155353.00  5130.48  156165.50  7255.69  154540.59  7255.51  535.934 12.500  533.128 12.565  2.806519       17.72351  
1 1 1 11  2   8  o 482.371 8.0178  126250.70  4188.95  114691.40  5923.46  137814.80  5924.69  459.229 11.909  503.576 10.863  -44.34747      16.11889  
1 1 1 11  2   9  o 306.790 5.3396  51021.56   1774.28  53261.04   2509.45  48782.93   2508.97  313.308 7.3950  299.822 7.7261  13.48648       10.69480  
1 1 1 11  2   10 o 254.775 4.5786  35182.75   1263.44  36647.84   1788.37  33722.87   1785.19  259.921 6.3525  249.316 6.6109  10.60542       9.168367  
1 1 1 11  2   11 o 204.486 4.5227  22667.74   1001.68  24637.76   1736.79  21685.84   1226.16  212.997 7.5284  199.951 5.6618  13.04539       9.419843  
1 1 1 11  2   12 o 171.675 4.8761  15982.60   906.669  15982.60   906.669  0.0000     0.0000   171.675 4.8761  ?       ?       0.000000       4.876090  
1 1 1 11  2   13 o 260.806 6.6625  36942.48   1882.02  38024.22   2662.51  35862.23   2660.66  264.236 9.3031  256.572 9.5743  7.664307       13.34975  
1 1 1 11  2   14 o 301.565 7.5365  49458.22   2461.63  48155.29   3478.74  50764.94   3483.80  296.904 10.818  304.907 10.549  -8.003510      15.10982  
1 1 1 11  2   15 o 219.505 4.7977  26143.18   1140.63  27628.43   1976.87  25401.95   1396.55  225.257 8.1027  216.259 5.9623  8.998352       10.05992  
1 1 1 11  2   16 o 193.204 5.3728  20268.52   1124.32  20876.70   1597.08  19670.97   1583.07  195.832 7.5296  190.071 7.6898  5.760376       10.76233  
1 1 1 11  2   17 o 296.209 7.4383  47785.87   2386.40  48202.91   3378.98  47370.84   3370.81  296.663 10.516  294.070 10.583  2.592743       14.91940  
1 1 1 11  2   18 o 314.904 5.9810  53935.00   2039.97  54363.65   2688.20  53353.00   3132.39  315.659 7.8627  312.263 9.2616  3.396179       12.14904  
1 1 1 11  2   19 o 211.122 4.0409  24194.59   924.027  24105.90   1309.54  24282.54   1304.02  210.484 5.7442  211.262 5.6989  -0.7775269     8.091569  
1 1 1 11  2   20 o 77.495  3.3329  3258.81    279.748  3232.49    396.090  3285.01    395.158  76.953  4.7758  77.585  4.7250  -0.6314240     6.718154  
1 1 1 11  2   21 o 17.264  6.8280  89.757     189.161  105.802    257.000  70.787     279.435  19.752  7.9107  19.753  8.1229  -0.1150131E-02 11.33846  
1 1 1 11  2   22 o 83.396  3.2201  3779.70    290.858  3697.64    400.371  3871.40    423.254  82.225  4.5129  84.113  4.6641  -1.887596      6.490003  
1 1 1 11  2   23 o 115.180 3.0526  7215.63    380.815  7389.66    527.670  7026.46    550.139  116.340 4.1876  113.379 4.4799  2.961281       6.132318  
1 1 1 11  2   24 o 93.245  3.1325  4735.60    316.363  4584.40    440.980  4895.94    454.120  91.479  4.4507  94.540  4.4349  -3.061066      6.283070  
1 1 1 11  2   25 o 81.462  3.2080  3620.53    283.048  3482.62    390.638  3772.97    410.696  79.472  4.5573  82.714  4.6025  -3.241768      6.477021  
1 1 1 11  2   26 o 37.809  5.2311  806.621    208.481  583.412    285.571  1061.34    305.065  31.322  8.2887  42.949  6.7832  -11.62634      10.71048  
1 1 1 11  2   27 o 62.108  3.9543  2132.77    264.616  2005.57    353.658  2294.56    398.851  59.634  5.5387  63.675  5.8486  -4.041561      8.055034  
1 1 1 11  2   28 o 39.319  6.2826  899.897    258.548  748.307    367.681  1048.17    363.638  34.502  9.5259  41.483  8.3818  -6.980728      12.68847  
1 1 1 11  2   29 o 45.117  5.5381  1170.69    264.944  1269.30    370.913  1067.96    378.581  45.808  7.7524  41.376  8.7225  4.431961       11.66971  
1 1 1 11  2   30 o 23.544  8.1237  333.721    251.503  535.434    349.883  118.067    361.772  28.570  9.5864  21.064  8.9864  7.506531       13.13983  
1 1 1 11  2   31 o 28.382  7.9842  543.053    255.753  538.019    361.077  548.121    362.305  27.376  9.7125  27.578  9.7349  -0.2028255     13.75142  
1 1 1 11  2   32 o 44.365  5.8971  1214.90    276.345  1247.49    390.083  1182.06    391.542  41.923  8.8677  40.431  9.1540  1.492088       12.74488  
1 1 1 11  2   33 f 29.150  8.1482  618.611    267.251  899.385    380.653  345.669    375.306  33.201  9.8647  22.511  9.3499  10.68971       13.59164  
1 1 1 11  2   34 o 17.169  7.2700  130.660    233.719  -96.4767   373.248  277.163    299.763  16.834  7.9279  20.524  8.4235  -3.689821      11.56747  
1 1 1 11  3   0  o 395.531 6.7398  84788.08   2887.32  83766.05   4083.20  85810.20   4083.37  392.985 9.5930  397.758 9.4783  -4.773468      13.48569  
1 1 1 11  3   1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  3   2  o 814.379 27.014  363759.91  23827.71 363759.91  23827.71 0.0000     0.0000   814.379 27.014  ?       ?       0.000000       27.01380  
1 1 1 11  3   3  o 677.731 11.168  249309.50  8197.67  239064.80  11593.08 259554.80  11593.43 662.843 16.148  690.794 15.495  -27.95105      22.37976  
1 1 1 11  3   4  o 612.064 10.124  203274.30  6711.35  198219.41  9491.12  208329.59  9491.45  603.784 14.513  619.051 14.156  -15.26691      20.27370  
1 1 1 11  3   5  o 464.700 7.6947  117086.90  3872.88  124538.10  5477.35  109637.10  5476.82  479.005 10.557  449.366 11.253  29.63821       15.42997  
1 1 1 11  3   6  o 268.830 4.8029  39157.96   1398.47  39237.62   1977.69  39078.29   1977.79  269.035 6.7870  268.487 6.8012  0.5473633      9.608343  
1 1 1 11  3   7  o 144.006 3.1610  11233.43   493.033  10697.05   696.366  11772.55   698.147  140.506 4.5758  147.404 4.3729  -6.897644      6.329330  
1 1 1 11  3   8  o 481.385 8.0956  125740.70  4220.94  123494.40  5969.34  127987.00  5969.29  476.580 11.564  485.205 11.359  -8.625519      16.20965  
1 1 1 11  3   9  o 355.383 6.1006  68485.37   2348.24  69495.59   3321.47  67475.81   3320.35  357.768 8.5715  352.518 8.6963  5.250549       12.21048  
1 1 1 11  3   10 o 76.839  2.5890  3198.32    215.469  3275.44    305.739  3122.22    303.710  77.749  3.6307  75.908  3.6940  1.840950       5.179532  
1 1 1 11  3   11 o 127.432 3.4753  8799.46    479.667  9429.67    844.220  8499.02    582.894  131.841 5.9120  125.217 4.2979  6.623772       7.309134  
1 1 1 11  3   12 o 170.544 6.9881  15795.56   1290.83  15795.56   1290.83  0.0000     0.0000   170.544 6.9881  ?       ?       0.000000       6.988145  
1 1 1 11  3   13 o 219.382 5.8410  26121.88   1387.89  26118.26   1963.78  26125.51   1961.76  219.122 8.2744  219.154 8.2647  -0.3155518E-01 11.69494  
1 1 1 11  3   14 o 159.383 4.7503  13780.13   820.040  13318.21   1158.73  14243.63   1160.70  156.548 6.8338  161.913 6.6186  -5.364960      9.513530  
1 1 1 11  3   15 o 109.852 3.0456  6540.21    362.364  6241.12    509.658  6845.98    515.308  107.267 4.3868  112.350 4.2347  -5.083794      6.097245  
1 1 1 11  3   16 o 127.132 3.6221  8763.49    498.753  8805.58    865.971  8742.60    610.104  127.284 6.2815  126.942 4.4374  0.3409653      7.690720  
1 1 1 11  3   17 o 90.719  4.2744  4465.32    419.996  4370.94    614.652  4547.98    575.234  89.427  6.3879  91.295  5.8481  -1.868240      8.660602  
1 1 1 11  3   18 o 135.033 4.5960  9899.91    672.189  10531.26   983.408  9346.27    920.905  139.092 6.5277  131.037 6.4886  8.054825       9.203959  
1 1 1 11  3   19 f 51.504  4.0154  1448.57    222.228  1658.47    323.842  1261.75    305.515  54.947  5.5159  47.770  6.0397  7.176899       8.179465  
1 1 1 11  3   20 o 196.304 3.8454  20925.00   817.610  20526.85   1156.58  21322.73   1155.97  194.155 5.4999  197.904 5.3929  -3.749039      7.702757  
1 1 1 11  3   21 o 75.860  3.3582  3125.21    275.927  3026.70    379.059  3236.24    402.426  74.406  4.7282  76.929  4.8547  -2.523453      6.776668  
1 1 1 11  3   22 o 94.611  3.1760  4864.30    325.459  5024.64    451.123  4690.26    469.992  96.016  4.3379  92.598  4.7016  3.417793       6.397098  
1 1 1 11  3   23 o 45.617  4.3643  1147.04    213.003  1039.87    290.904  1270.91    312.745  42.957  6.4517  47.639  6.2088  -4.681442      8.953957  
1 1 1 11  3   24 o 111.416 2.9571  6757.03    356.854  6465.73    495.900  7069.88    513.917  108.704 4.2119  113.679 4.1739  -4.975639      5.929719  
1 1 1 11  3   25 o 30.098  6.0226  520.193    189.478  456.188    251.088  604.851    288.771  27.993  7.9239  32.040  8.2664  -4.046873      11.45080  
1 1 1 11  3   26 o 57.014  3.5868  1787.17    220.366  1881.05    315.564  1697.81    307.869  58.075  5.0676  55.104  5.2206  2.971386       7.275655  
1 1 1 11  3   27 o 35.560  5.9624  728.341    221.517  673.169    299.508  794.966    329.129  33.394  8.3132  36.244  8.5267  -2.850044      11.90858  
1 1 1 11  3   28 o 56.306  4.5887  1776.40    277.408  1664.70    391.642  1888.87    392.989  53.375  6.9386  57.166  6.4605  -3.790234      9.480595  
1 1 1 11  3   29 o 15.799  7.0018  -44.3682   237.877  -198.5089  333.408  115.448    339.491  16.829  7.7797  21.053  8.8299  -4.223526      11.76820  
1 1 1 11  3   30 o 65.507  4.1948  2421.56    296.062  2797.83    413.408  2025.42    424.189  69.412  5.5452  57.950  6.8935  11.46207       8.846997  
1 1 1 11  3   31 o 27.573  8.0422  513.778    255.004  329.480    358.528  702.464    362.771  23.413  9.3554  30.924  9.7183  -7.510363      13.48959  
1 1 1 11  3   32 o 41.740  6.2072  1090.61    272.077  1231.68    385.884  951.149    383.674  41.696  8.8200  35.402  9.7130  6.293575       13.12003  
1 1 1 11  3   33 o 21.295  8.1407  304.900    261.809  237.990    370.687  371.498    369.823  20.916  9.0133  22.892  9.3713  -1.976093      13.00229  
1 1 1 11  3   34 f 11.904  2.8244  82.806     35.866   -116.1307  373.089  84.661     36.033   16.660  7.8703  12.039  2.8139  4.620761       8.358227  
1 1 1 11  4   0  o 383.432 6.5418  79677.03   2716.79  77735.39   3841.88  81619.16   3842.36  378.587 9.3693  387.943 9.1445  -9.355804      13.09221  
1 1 1 11  4   1  o 180.549 3.5681  17657.44   697.763  18067.54   987.471  17248.48   986.102  182.615 4.9925  178.426 5.1026  4.188995       7.138752  
1 1 1 11  4   2  o 477.428 7.9395  123577.10  4105.57  118966.70  5805.86  128188.40  5806.45  468.158 11.450  486.004 11.031  -17.84628      15.89895  
1 1 1 11  4   3  o 328.999 5.6985  58652.41   2030.59  59436.84   2871.88  57868.19   2871.49  331.096 8.0083  326.692 8.1152  4.403442       11.40131  
1 1 1 11  4   4  o 482.631 8.0977  126303.50  4232.98  123975.90  5986.16  128631.30  5986.53  477.851 11.566  486.763 11.355  -8.911713      16.20832  
1 1 1 11  4   5  o 277.348 4.9261  41677.84   1479.78  43616.77   2093.09  39740.26   2092.37  283.662 6.8127  270.751 7.1351  12.91110       9.865169  
1 1 1 11  4   6  o 294.814 5.1599  47097.37   1647.63  46260.79   2330.00  47934.10   2330.22  292.094 7.3648  297.336 7.2357  -5.242065      10.32452  
1 1 1 11  4   7  f 242.676 4.3807  31908.56   1151.44  30851.35   1627.62  32967.76   1629.15  238.559 6.2992  246.613 6.0992  -8.054749      8.768174  
1 1 1 11  4   8  o 345.761 5.9321  64811.62   2221.53  61575.27   3141.18  68050.19   3142.26  336.820 8.6104  354.124 8.1925  -17.30389      11.88514  
1 1 1 11  4   9  o 362.336 6.1822  71194.45   2426.20  71449.05   3431.52  70939.96   3430.80  362.741 8.7341  361.443 8.7637  1.297882       12.37283  
1 1 1 11  4   10 o 83.664  2.6810  3791.83    242.944  4270.70    353.013  3360.96    334.854  88.778  3.6713  78.754  3.9257  10.02451       5.374850  
1 1 1 11  4   11 o 246.767 9.0369  33111.79   2415.34  33111.79   2415.34  0.0000     0.0000   246.767 9.0369  ?       ?       0.000000       9.036928  
1 1 1 11  4   12 o 57.045  5.9400  1784.91    361.621  1784.91    361.621  0.0000     0.0000   57.045  5.9400  ?       ?       0.000000       5.939960  
1 1 1 11  4   13 o 100.670 3.9649  5493.94    432.320  5911.34    614.381  5084.55    608.448  104.234 5.4610  96.613  5.8421  7.621140       7.997014  
1 1 1 11  4   14 o 418.379 8.2048  95271.07   3718.01  89618.31   6439.00  98098.48   4553.89  403.536 14.732  424.053 9.9150  -20.51733      17.75789  
1 1 1 11  4   15 o 391.822 6.6739  83449.39   2832.29  81215.79   4005.51  85682.89   4005.41  385.786 9.5861  396.332 9.3308  -10.54672      13.37745  
1 1 1 11  4   16 o 199.720 3.8770  21631.35   838.658  21452.28   1187.19  21809.73   1184.89  198.751 5.5149  200.406 5.4588  -1.654694      7.759736  
1 1 1 11  4   17 o 232.211 6.0999  29313.73   1534.18  30471.21   2181.48  28181.02   2158.02  236.322 8.5227  227.218 8.7688  9.103836       12.22821  
1 1 1 11  4   18 o 280.832 7.0604  42969.10   2147.57  45104.36   3047.57  40862.87   3026.79  286.924 9.8066  272.958 10.238  13.96548       14.17693  
1 1 1 11  4   19 o 146.387 3.8680  11630.01   613.272  11955.06   762.543  11034.72   1031.93  148.338 4.7462  142.286 6.6960  6.051956       8.207500  
1 1 1 11  4   20 o 171.256 3.5842  15920.28   664.833  14843.21   934.577  17023.75   945.957  165.144 5.2250  176.906 4.9370  -11.76187      7.188451  
1 1 1 11  4   21 o 156.779 3.4260  13350.08   581.762  13034.92   816.422  13675.18   829.199  154.686 4.8730  158.448 4.8317  -3.761337      6.862312  
1 1 1 11  4   22 o 54.845  3.9399  1645.94    232.483  1818.52    316.998  1445.08    341.982  57.463  5.1478  50.931  6.3363  6.532009       8.163897  
1 1 1 11  4   23 o 41.917  4.3800  970.198    195.917  864.530    282.710  1067.83    271.753  38.968  6.9533  43.676  5.8952  -4.708561      9.116047  
1 1 1 11  4   24 o 169.182 3.5321  15614.11   647.225  14584.00   909.052  16673.11   921.709  162.839 5.1542  174.249 4.8838  -11.40959      7.100467  
1 1 1 11  4   25 o 68.071  3.3671  2530.06    248.247  2385.42    337.186  2701.25    366.833  65.661  4.7739  69.861  4.8786  -4.200256      6.825764  
1 1 1 11  4   26 o 19.177  6.9165  178.688    183.841  -25.1586   242.179  455.896    282.416  16.548  7.2075  27.950  8.5407  -11.40222      11.17552  
1 1 1 11  4   27 o 32.885  5.8814  624.109    201.789  626.475    262.272  620.677    315.898  32.402  7.6040  31.969  8.8309  0.4329033      11.65358  
1 1 1 11  4   28 f 47.871  5.1631  1298.97    263.467  1260.03    366.702  1340.51    378.789  45.984  7.6301  47.460  7.6272  -1.475483      10.78859  
1 1 1 11  4   29 o 42.466  5.7911  1044.53    259.417  885.568    360.833  1214.59    373.223  37.428  9.0095  44.626  8.0163  -7.197697      12.05952  
1 1 1 11  4   30 o 16.473  7.1930  4.7247     242.587  -135.8323  337.848  154.320    348.542  17.294  7.9350  21.335  8.9474  -4.041035      11.95907  
1 1 1 11  4   31 o 27.529  8.1399  514.390    259.657  884.820    363.137  126.859    371.425  35.145  9.3690  20.503  8.9281  14.64256       12.94175  
1 1 1 11  4   32 o 23.861  8.2368  391.909    258.574  287.848    366.202  495.377    365.157  22.256  9.2391  25.844  9.6734  -3.588058      13.37669  
1 1 1 11  4   33 o 25.512  8.3014  480.352    262.966  393.022    371.341  568.201    372.443  23.235  9.4370  26.337  9.7868  -3.102295      13.59555  
1 1 1 11  4   34 o 33.858  1.9562  634.652    71.432   711.744    382.072  631.860    72.714   28.296  9.9960  33.768  1.9970  -5.471205      10.19358  
1 1 1 11  5   0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  5   1  o 392.385 6.6702  83444.55   2834.78  86096.00   4009.34  80794.04   4008.63  398.426 9.2908  385.945 9.5896  12.48160       13.35215  
1 1 1 11  5   2  o 224.976 4.2028  27418.78   1024.12  25787.27   1448.06  29051.44   1448.58  218.142 6.1289  231.545 5.7761  -13.40359      8.421778  
1 1 1 11  5   3  o 414.976 7.0001  93341.67   3146.25  94589.02   4449.67  92094.55   4449.28  417.556 9.8388  412.004 9.9705  5.552460       14.00763  
1 1 1 11  5   4  f 612.016 10.100  203243.80  6694.77  192534.09  9467.53  213954.91  9468.13  595.023 14.690  627.380 13.934  -32.35785      20.24728  
1 1 1 11  5   5  o 555.526 9.2057  167418.80  5538.99  168069.91  7833.27  166767.59  7833.37  556.125 13.005  553.959 13.056  2.166321       18.42753  
1 1 1 11  5   6  o 286.691 5.0808  44537.08   1577.68  45116.82   2231.18  43957.34   2231.17  288.469 7.1411  284.733 7.2348  3.735168       10.16549  
1 1 1 11  5   7  o 160.851 3.3240  14015.57   579.099  14029.72   819.475  14001.46   818.464  160.909 4.7020  160.747 4.7010  0.1620941      6.648931  
1 1 1 11  5   8  o 115.245 2.7881  7194.30    348.020  6867.82    490.756  7524.58    493.605  112.586 4.0245  117.848 3.8671  -5.262482      5.581331  
1 1 1 11  5   9  o 165.289 3.3346  14801.35   596.972  16445.92   846.723  13175.89   841.792  174.202 4.4876  155.912 4.9849  18.29071       6.707307  
1 1 1 11  5   10 o 412.370 9.8950  92470.88   4419.48  99325.78   6250.37  85617.20   6249.81  426.620 13.527  395.843 14.577  30.77734       19.88638  
1 1 1 11  5   11 o 214.573 8.1304  25016.79   1889.54  25016.79   1889.54  0.0000     0.0000   214.573 8.1304  ?       ?       0.000000       8.130383  
1 1 1 11  5   12 o 129.976 4.2860  9158.64    603.370  9010.95    854.286  9305.65    852.307  128.852 6.1212  130.948 6.0094  -2.095276      8.577995  
1 1 1 11  5   13 f 121.767 3.4581  8036.04    456.076  8304.67    562.138  7518.65    780.151  123.763 4.1936  117.523 6.1503  6.240295       7.443969  
1 1 1 11  5   14 o 157.967 3.8777  13528.92   663.460  13974.46   1147.08  13304.95   813.303  160.376 6.6037  156.607 4.7948  3.768219       8.160778  
1 1 1 11  5   15 o 273.814 4.9110  40684.11   1456.45  40429.61   2060.47  40938.24   2059.00  272.678 6.9766  274.395 6.9280  -1.717621      9.832138  
1 1 1 11  5   16 o 61.451  3.3363  2053.13    221.223  2108.26    320.168  2002.76    306.024  62.144  4.7938  60.569  4.7016  1.574608       6.714580  
1 1 1 11  5   17 o 347.273 5.9804  65552.28   2249.43  66275.51   3182.83  64830.55   3179.52  348.550 8.4310  344.704 8.5162  3.846069       11.98362  
1 1 1 11  5   18 o 271.264 6.8750  40079.09   2019.91  41837.50   2867.03  38346.06   2846.26  276.408 9.5766  264.512 9.9348  11.89597       13.79898  
1 1 1 11  5   19 o 68.375  5.1613  2555.86    379.414  3119.88    642.085  2253.26    470.307  75.138  8.0133  63.919  6.9029  11.21916       10.57653  
1 1 1 11  5   20 o 105.278 3.0377  6012.43    346.378  5751.54    504.678  6244.77    476.260  102.862 4.5299  107.218 4.1012  -4.356224      6.110635  
1 1 1 11  5   21 o 110.737 3.1633  6657.56    379.405  6475.22    527.398  6853.16    546.215  109.074 4.4642  112.209 4.4944  -3.134247      6.334713  
1 1 1 11  5   22 o 230.720 4.2674  29009.19   1066.40  27262.71   1503.87  30775.52   1512.39  222.879 6.2298  236.969 5.8925  -14.08939      8.575080  
1 1 1 11  5   23 o 43.163  4.4276  1028.62    204.062  951.576    269.209  1132.67    312.858  41.104  6.2434  44.815  6.6469  -3.711926      9.119227  
1 1 1 11  5   24 o 38.452  4.9046  824.579    199.614  697.430    264.809  991.909    303.782  34.743  7.2705  41.690  6.9740  -6.946415      10.07454  
1 1 1 11  5   25 o 145.306 3.3250  11526.79   523.300  11235.31   732.377  11830.83   747.985  142.871 4.7328  146.620 4.7101  -3.748840      6.677191  
1 1 1 11  5   26 o 82.646  3.3041  3734.82    295.766  4055.71    415.999  3406.81    420.592  85.661  4.4995  78.307  4.9849  7.353340       6.715235  
1 1 1 11  5   27 o 66.112  3.7199  2410.35    265.280  2359.81    366.362  2466.06    384.630  64.834  5.2626  66.221  5.4099  -1.386856      7.547311  
1 1 1 11  5   28 o 122.681 3.3220  8273.03    441.416  8628.79    628.785  7927.33    619.825  124.398 4.6668  119.133 4.8036  5.265411       6.697286  
1 1 1 11  5   29 o 51.464  4.9748  1503.44    273.841  1275.60    381.586  1745.39    393.216  45.765  7.9888  54.446  6.8174  -8.680988      10.50234  
1 1 1 11  5   30 o 36.051  6.3495  782.895    238.873  794.028    309.976  766.617    374.820  35.149  8.2788  33.605  9.7356  1.543995       12.77967  
1 1 1 11  5   31 o 12.703  6.1091  -284.6481  246.549  -7.3974    342.548  -582.6558  355.140  18.275  8.2283  13.700  6.7481  4.574461       10.64157  
1 1 1 11  5   32 o 17.012  7.4041  61.600     255.186  118.044    358.352  3.5292     363.477  19.738  8.6774  18.447  8.3744  1.291451       12.05937  
1 1 1 11  5   33 f 16.613  7.1394  88.205     231.349  142.013    303.607  13.701     357.256  18.752  8.1186  17.979  8.2159  0.7732449      11.55050  
1 1 1 11  5   34 o 22.778  8.8218  397.187    310.269  537.535    542.264  328.876    378.315  24.438  10.710  21.716  9.2253  2.721544       14.13575  
1 1 1 11  6   0  o 133.715 2.9943  9684.34    433.664  9605.21    612.663  9763.79    613.924  133.158 4.2480  134.253 4.2220  -1.094971      5.989254  
1 1 1 11  6   1  o 463.018 7.7529  116222.00  3888.04  118471.10  5498.67  113973.10  5498.37  467.242 10.865  458.268 11.078  8.974182       15.51673  
1 1 1 11  6   2  o 514.297 8.5619  143428.20  4769.31  142706.30  6744.75  144150.09  6744.88  512.664 12.147  515.257 12.086  -2.593628      17.13521  
1 1 1 11  6   3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  6   4  o 452.212 7.5967  110868.70  3720.82  113229.20  5262.06  108508.20  5262.03  456.755 10.637  447.111 10.866  9.644562       15.20545  
1 1 1 11  6   5  o 431.315 7.2779  100857.00  3399.94  104289.40  4808.27  97424.56   4808.22  438.369 10.127  423.664 10.478  14.70511       14.57227  
1 1 1 11  6   6  o 124.839 2.9045  8441.65    392.724  8402.44    555.255  8480.90    555.537  124.537 4.1165  125.117 4.0994  -0.5803070     5.809536  
1 1 1 11  6   7  o 79.423  2.5431  3416.67    218.768  3512.29    308.122  3319.48    310.663  80.520  3.5330  78.278  3.6642  2.242294       5.090076  
1 1 1 11  6   8  o 233.517 4.2461  29547.18   1073.93  31137.59   1520.75  27965.03   1516.79  239.659 5.8586  227.109 6.1663  12.55000       8.505633  
1 1 1 11  6   9  o 248.053 4.4246  33345.26   1188.74  34912.51   1682.51  31783.16   1679.75  253.734 6.1222  242.080 6.4064  11.65398       8.861358  
1 1 1 11  6   10 o 305.690 10.767  50855.96   3564.99  0.0000     0.0000   50855.96   3564.99  ?       ?       305.690 10.767  0.000000       10.76732  
1 1 1 11  6   11 o 253.688 9.2398  35003.95   2538.83  35003.95   2538.83  0.0000     0.0000   253.688 9.2398  ?       ?       0.000000       9.239831  
1 1 1 11  6   12 o 82.515  3.1191  3689.37    278.757  2134.30    476.422  4498.88    343.739  62.273  7.1961  91.113  3.4832  -28.83982      7.994769  
1 1 1 11  6   13 f 462.792 9.9216  116742.40  4973.21  117941.00  5478.28  111126.60  11858.11 464.857 10.881  443.463 24.787  21.39359       27.07026  
1 1 1 11  6   14 f 282.438 5.8044  43309.61   1775.62  40130.61   3074.58  44900.48   2174.99  271.103 10.471  287.415 6.9868  -16.31216      12.58784  
1 1 1 11  6   15 o 69.428  2.9050  2612.23    218.448  2682.43    314.159  2546.51    303.957  70.206  4.1499  68.400  4.1221  1.805725       5.849208  
1 1 1 11  6   16 o 101.259 2.8468  5556.95    312.219  5394.98    460.038  5695.25    425.115  99.727  4.2591  102.481 3.8300  -2.754097      5.727839  
1 1 1 11  6   17 o 80.166  3.3003  3484.29    286.559  3720.50    431.931  3298.59    382.981  82.644  4.8466  77.828  4.5633  4.816177       6.656782  
1 1 1 11  6   18 o 100.227 3.5832  5448.70    388.977  6456.64    703.520  5004.90    466.820  108.788 5.9938  96.016  4.4889  12.77233       7.488359  
1 1 1 11  6   19 o 101.474 4.4372  5592.30    487.681  5819.67    707.393  5386.36    673.245  103.167 6.3617  99.248  6.2956  3.919762       8.950171  
1 1 1 11  6   20 o 169.107 5.0258  15559.53   920.529  17528.53   1311.36  13646.80   1292.49  179.151 6.7582  157.908 7.5571  21.24261       10.13819  
1 1 1 11  6   21 o 164.828 3.5268  14759.51   629.626  14513.45   886.723  15009.73   894.176  163.186 5.0169  165.961 4.9745  -2.775391      7.065012  
1 1 1 11  6   22 o 88.532  3.2044  4259.86    307.265  4236.50    420.277  4286.69    450.358  88.150  4.4019  88.504  4.7151  -0.3542862     6.450547  
1 1 1 11  6   23 o 39.278  4.9954  858.402    207.707  928.897    280.851  773.294    308.589  40.502  6.6317  36.564  8.0133  3.938026       10.40160  
1 1 1 11  6   24 f 75.277  3.2641  3088.06    266.131  3036.05    359.310  3151.27    396.108  74.304  4.4857  75.606  4.8629  -1.302429      6.615822  
1 1 1 11  6   25 o 44.550  4.3719  1099.91    208.237  915.324    276.820  1340.52    316.048  39.992  6.6225  48.736  6.1225  -8.743263      9.018973  
1 1 1 11  6   26 o 59.966  2.6566  1959.64    172.543  2579.39    350.375  1761.23    198.248  68.167  4.7757  56.673  3.2432  11.49480       5.772831  
1 1 1 11  6   27 o 116.609 3.2745  7451.45    413.565  7891.65    579.947  6995.98    589.918  119.392 4.4848  112.203 4.8542  7.188942       6.608842  
1 1 1 11  6   28 o 48.436  5.1279  1329.03    264.924  1182.84    372.781  1478.21    376.566  44.281  8.0700  50.138  7.1357  -5.857101      10.77228  
1 1 1 11  6   29 o 19.900  7.8030  167.611    245.067  75.882     340.946  265.660    352.496  20.470  8.7282  23.801  9.3502  -3.331692      12.79091  
1 1 1 11  6   30 o 32.197  7.5107  652.037    257.118  712.804    355.982  585.760    371.771  32.524  9.5066  29.560  9.8819  2.964605       13.71229  
1 1 1 11  6   31 o 50.691  5.1737  1521.24    280.073  1187.71    389.684  1877.62    402.808  41.410  8.9494  54.576  6.9738  -13.16627      11.34574  
1 1 1 11  6   32 o 26.248  8.2566  485.719    261.781  649.354    365.396  313.157    375.229  28.945  9.7962  22.694  9.3810  6.250870       13.56350  
1 1 1 11  6   33 o 23.132  8.2729  385.698    262.472  607.921    371.177  163.441    371.206  27.104  9.8197  19.926  8.7929  7.177475       13.18108  
1 1 1 11  6   34 o 15.065  7.0903  -125.5017  297.673  -327.6595  518.587  -26.1629   363.526  17.460  8.5058  17.324  8.0484  0.1366329      11.71007  
1 1 1 11  7   0  o 813.389 26.975  362774.19  23764.96 0.0000     0.0000   362774.19  23764.96 ?       ?       813.389 26.975  0.000000       26.97546  
1 1 1 11  7   1  o 383.251 6.5542  79603.55   2720.67  77852.79   3847.56  81354.43   3847.67  378.865 9.3763  387.304 9.1722  -8.439301      13.11658  
1 1 1 11  7   2  o 738.701 17.201  297078.00  13762.70 278938.91  19463.01 315218.50  19463.79 713.649 25.180  759.135 23.672  -45.48627      34.56013  
1 1 1 11  7   3  o 334.266 5.7941  60547.40   2097.74  58162.68   2966.65  62932.13   2966.66  327.507 8.3633  340.687 8.0397  -13.18033      11.60093  
1 1 1 11  7   4  o 98.213  2.6044  5224.35    277.044  4871.69    392.406  5574.85    391.195  94.833  3.8204  101.448 3.5603  -6.615219      5.222147  
1 1 1 11  7   5  o 218.748 3.9995  25922.38   947.593  26608.76   1340.35  25236.51   1339.85  221.590 5.5847  215.797 5.7324  5.793289       8.003087  
1 1 1 11  7   6  o 245.629 4.4972  32689.07   1196.44  33018.22   1691.81  32359.77   1692.22  246.806 6.3289  244.330 6.3946  2.475662       8.996938  
1 1 1 11  7   7  o 262.940 4.7197  37463.77   1344.12  38270.71   1901.66  36658.15   1900.09  265.681 6.6085  260.017 6.7469  5.663940       9.444179  
1 1 1 11  7   8  o 487.642 8.2277  129048.90  4345.58  129834.10  6145.80  128263.80  6145.36  488.615 11.613  485.639 11.683  2.976105       16.47297  
1 1 1 11  7   9  o 132.817 6.0713  9565.95    873.384  0.0000     0.0000   9565.95    873.384  ?       ?       132.817 6.0713  0.000000       6.071280  
1 1 1 11  7   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  7   11 o 253.534 9.2539  34963.27   2541.14  34963.27   2541.14  0.0000     0.0000   253.534 9.2539  ?       ?       0.000000       9.253860  
1 1 1 11  7   12 o 211.978 4.0101  24357.52   920.708  24188.46   1302.06  24526.59   1302.09  211.140 5.6936  212.614 5.6543  -1.473389      8.024268  
1 1 1 11  7   13 o 122.439 2.9666  8123.31    393.415  7938.69    553.184  8312.26    559.617  121.003 4.2209  123.819 4.1729  -2.815956      5.935358  
1 1 1 11  7   14 o 59.181  2.6172  1897.70    167.762  1376.90    374.906  2028.09    187.591  49.825  7.1522  61.178  2.8311  -11.35270      7.692170  
1 1 1 11  7   15 o 219.299 4.1284  26081.77   980.593  26061.31   1388.54  26102.14   1385.00  219.055 5.8524  219.229 5.8329  -0.1736450     8.262750  
1 1 1 11  7   16 o 55.294  3.1755  1662.80    189.379  1671.48    276.444  1655.12    259.961  55.305  4.6584  55.059  4.3959  0.2457657      6.405006  
1 1 1 11  7   17 o 159.635 3.3453  13816.66   578.415  14097.40   823.246  13542.97   812.859  161.156 4.7164  157.952 4.7514  3.203522       6.694789  
1 1 1 11  7   18 o 85.484  2.7910  3961.22    258.412  4251.26    429.640  3796.82    323.460  88.377  4.5034  83.666  3.5694  4.710831       5.746396  
1 1 1 11  7   19 o 175.061 5.1246  16660.63   971.663  17690.90   1382.82  15655.82   1365.62  180.076 7.0899  169.338 7.4457  10.73782       10.28128  
1 1 1 11  7   20 o 213.734 5.7914  24894.93   1340.70  26723.23   1902.82  23092.49   1889.31  220.832 7.9554  205.112 8.5044  15.72067       11.64534  
1 1 1 11  7   21 o 135.381 3.2469  9952.44    476.093  9968.91    670.603  9935.71    676.023  135.313 4.5757  135.081 4.6206  0.2325897      6.502831  
1 1 1 11  7   22 o 206.417 4.0158  23205.67   897.823  22326.65   1262.49  24105.09   1277.06  201.862 5.7744  209.812 5.6197  -7.950104      8.057528  
1 1 1 11  7   23 o 78.618  3.1876  3363.39    271.426  3267.80    366.960  3478.85    403.322  77.201  4.4069  79.597  4.6991  -2.395668      6.442208  
1 1 1 11  7   24 o 105.660 3.1615  6081.69    361.801  6076.16    502.904  6087.63    520.899  105.319 4.4087  105.376 4.5640  -0.5634308E-01 6.345557  
1 1 1 11  7   25 o 123.525 3.1704  8324.82    424.168  8320.40    590.420  8329.53    609.776  123.060 4.4297  123.069 4.5746  -0.8911133E-02 6.367805  
1 1 1 11  7   26 o 38.888  5.2579  853.186    215.781  1067.95    300.371  624.156    310.188  43.122  6.6446  32.305  8.6797  10.81633       10.93108  
1 1 1 11  7   27 o 56.222  4.0937  1752.44    247.571  1761.99    340.285  1741.71    360.855  55.775  5.7136  55.269  6.1315  0.5059814      8.380930  
1 1 1 11  7   28 o 51.087  4.5151  1463.18    247.259  1368.15    333.095  1579.80    369.012  48.522  6.5016  52.086  6.6961  -3.564396      9.333214  
1 1 1 11  7   29 o 45.145  5.4885  1171.91    262.844  1230.51    365.021  1108.79    378.796  45.049  7.7611  42.230  8.5743  2.819050       11.56518  
1 1 1 11  7   30 o 29.553  7.8030  556.628    253.454  530.985    352.474  584.083    364.716  28.373  9.6213  29.511  9.7848  -1.137554      13.72272  
1 1 1 11  7   31 f 39.623  6.4938  979.276    269.032  1263.91    372.157  667.718    389.362  43.524  8.1953  29.824  10.112  13.69943       13.01617  
1 1 1 11  7   32 o 17.013  7.4098  61.477     255.949  -50.5145   356.393  180.757    367.810  17.707  8.1340  20.682  8.9452  -2.975103      12.09038  
1 1 1 11  7   33 o 19.702  7.9634  228.514    263.044  345.246    370.521  109.899    373.499  22.451  9.3045  19.298  8.6483  3.152508       12.70307  
1 1 1 11  7   34 o 20.486  8.4568  273.613    304.336  559.718    533.062  135.260    370.688  24.695  10.725  19.153  8.5973  5.541630       13.74518  
1 1 1 11  8   0  o 409.784 7.9735  91039.13   3538.94  85520.22   6129.87  93798.24   4334.21  396.690 14.267  415.843 9.6230  -19.15323      17.20890  
1 1 1 11  8   1  o 123.808 2.9745  8302.43    398.874  8451.76    564.263  8153.28    563.923  124.907 4.1708  122.681 4.2440  2.226051       5.950400  
1 1 1 11  8   2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  8   3  o 353.411 6.0437  67685.59   2313.42  70071.42   3272.06  65300.88   3271.28  359.471 8.4040  347.002 8.7039  12.46890       12.09903  
1 1 1 11  8   4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  8   5  o 211.274 3.8602  24180.78   883.328  23126.37   1248.85  25236.41   1249.58  206.581 5.5815  215.805 5.3460  -9.224350      7.728705  
1 1 1 11  8   6  o 365.493 6.3142  72411.29   2499.59  73337.57   3534.85  71484.90   3535.07  367.655 8.8769  362.973 8.9919  4.682343       12.63542  
1 1 1 11  8   7  o 374.938 6.4641  76216.87   2625.06  76213.91   3712.23  76219.82   3712.55  374.718 9.1466  374.732 9.1471  -0.1446533E-01 12.93558  
1 1 1 11  8   8  o 431.291 8.4271  100960.30  3936.59  103386.80  4821.73  96109.80   6817.23  436.216 10.205  419.790 14.994  16.42566       18.13720  
1 1 1 11  8   9  o 304.858 10.733  50543.74   3544.09  0.0000     0.0000   50543.74   3544.09  ?       ?       304.858 10.733  0.000000       10.73338  
1 1 1 11  8   10 o 405.882 13.884  89966.09   6103.54  89966.09   6103.54  0.0000     0.0000   405.882 13.884  ?       ?       0.000000       13.88393  
1 1 1 11  8   11 o 237.911 4.3881  30683.14   1130.74  30408.83   1599.81  30956.97   1598.42  236.724 6.2396  238.853 6.1786  -2.128723      8.781073  
1 1 1 11  8   12 o 89.008  2.7140  4292.27    261.642  4397.81    369.841  4186.52    370.196  90.077  3.7908  87.885  3.8891  2.192429       5.430954  
1 1 1 11  8   13 o 260.753 4.6729  36875.16   1319.73  36403.80   1865.81  37347.11   1866.96  258.886 6.6541  262.228 6.5734  -3.342133      9.353382  
1 1 1 11  8   14 o 259.429 5.4279  36529.80   1525.18  36790.13   1868.78  36010.52   2639.39  260.209 6.6308  256.992 9.4823  3.217590       11.57072  
1 1 1 11  8   15 o 136.617 3.6191  10118.73   535.525  9062.91    929.141  10643.95   655.323  128.951 6.6754  140.084 4.3191  -11.13358      7.950844  
1 1 1 11  8   16 o 136.902 3.1124  10158.98   461.510  10286.86   658.313  10035.38   647.177  137.698 4.4140  136.006 4.3933  1.692368       6.227769  
1 1 1 11  8   17 o 65.098  3.0517  2297.19    215.172  2290.58    313.665  2303.05    295.724  64.812  4.4961  65.015  4.2224  -0.2031555     6.167909  
1 1 1 11  8   18 o 219.026 4.1535  26034.74   985.322  26564.51   1394.20  25506.10   1392.71  221.018 5.8241  216.552 5.9379  4.465515       8.317339  
1 1 1 11  8   19 o 169.323 3.5806  15556.03   656.657  15870.62   929.903  15243.12   927.408  170.870 5.0246  167.447 5.1136  3.423203       7.169058  
1 1 1 11  8   20 o 128.314 4.5214  8950.92    628.370  9934.28    901.174  8020.38    876.634  134.955 6.1652  120.998 6.7155  13.95674       9.116354  
1 1 1 11  8   21 o 177.422 5.2525  17169.51   1009.35  17997.76   1415.79  16313.43   1439.39  181.079 7.2187  172.234 7.7159  8.845123       10.56622  
1 1 1 11  8   22 o 41.096  1.9704  915.882    87.704   833.277    267.226  925.854    92.847   38.395  6.6678  41.263  2.0842  -2.868019      6.985923  
1 1 1 11  8   23 o 87.591  3.1323  4174.50    297.164  4383.51    405.357  3931.68    436.921  89.594  4.1772  84.611  4.7873  4.983406       6.353554  
1 1 1 11  8   24 o 23.856  6.8188  324.699    185.008  458.552    241.811  135.727    287.316  28.147  7.7063  20.944  8.3727  7.202768       11.37933  
1 1 1 11  8   25 o 12.121  2.6400  83.074     33.679   -207.2206  224.755  89.741     34.063   13.375  6.2520  12.614  2.5802  0.7611179      6.763514  
1 1 1 11  8   26 o 109.953 3.2200  6608.27    383.476  6695.58    535.543  6516.39    549.355  110.198 4.4869  108.634 4.6689  1.564575       6.475449  
1 1 1 11  8   27 o 122.978 3.2718  8288.71    435.793  7960.11    610.653  8629.76    622.115  119.756 4.7079  124.758 4.6040  -5.001808      6.584873  
1 1 1 11  8   28 o 19.649  7.4177  178.867    215.663  406.619    283.052  -136.3204  332.980  26.234  8.6163  17.629  8.0077  8.605118       11.76280  
1 1 1 11  8   29 o 21.851  7.9330  254.825    242.432  35.531     337.451  488.739    348.518  19.787  8.5629  28.201  9.5672  -8.414316      12.83953  
1 1 1 11  8   30 o 36.222  6.9318  806.665    262.043  870.868    363.987  737.586    377.554  36.076  9.2664  32.812  9.8417  3.264606       13.51762  
1 1 1 11  8   31 o 25.330  7.7912  428.022    234.580  376.243    301.644  507.255    373.137  23.931  8.8244  26.662  9.8171  -2.731226      13.20017  
1 1 1 11  8   32 o 20.546  8.0376  250.296    259.566  566.577    360.982  -88.3032   373.501  27.205  9.7049  17.647  8.1847  9.557610       12.69542  
1 1 1 11  8   33 o 32.419  1.5224  575.057    53.457   783.158    74.531   354.587    76.714   37.749  1.8229  24.980  2.8886  12.76888       3.415703  
1 1 1 11  8   34 o 19.073  7.8811  211.962    264.693  -64.3322   526.262  305.529    306.250  19.180  9.1430  21.057  8.5632  -1.876968      12.52691  
1 1 1 11  9   0  o 681.395 15.921  252553.20  11749.81 248132.70  16616.33 256974.09  16617.14 673.858 22.767  685.864 22.369  -12.00665      31.91692  
1 1 1 11  9   1  o 533.586 8.9413  154405.70  5167.44  154675.70  7307.94  154135.59  7307.78  533.675 12.643  532.740 12.665  0.9351196      17.89532  
1 1 1 11  9   2  o 334.791 5.7967  60737.12   2101.96  63858.24   2973.04  57617.77   2972.19  343.191 7.9982  325.970 8.4184  17.22037       11.61211  
1 1 1 11  9   3  o 885.704 29.431  431789.59  28233.57 0.0000     0.0000   431789.59  28233.57 ?       ?       885.704 29.431  0.000000       29.43114  
1 1 1 11  9   4  o 370.664 6.3365  74464.13   2543.90  75444.13   3597.66  73484.19   3597.57  372.950 8.9064  368.066 9.0243  4.884003       12.67917  
1 1 1 11  9   5  o 388.536 6.6795  81831.13   2810.91  79558.46   3974.91  84104.51   3975.53  382.910 9.5843  393.718 9.3226  -10.80878      13.37052  
1 1 1 11  9   6  o 422.570 7.2294  96823.71   3308.81  96377.09   4679.24  97270.39   4679.49  421.328 10.254  423.281 10.207  -1.952942      14.46801  
1 1 1 11  9   7  o 308.559 6.3113  51617.05   2109.23  51426.83   2583.60  51997.21   3652.35  307.904 7.7471  309.355 10.900  -1.451874      13.37302  
1 1 1 11  9   8  o 314.130 11.002  53645.74   3743.13  0.0000     0.0000   53645.74   3743.13  ?       ?       314.130 11.002  0.000000       11.00160  
1 1 1 11  9   9  o 493.221 16.647  133101.41  8892.98  0.0000     0.0000   133101.41  8892.98  ?       ?       493.221 16.647  0.000000       16.64699  
1 1 1 11  9   10 o 404.209 7.9429  88728.84   3477.39  89981.73   4259.51  86225.11   6021.37  406.780 9.6678  397.303 13.993  9.477539       17.00777  
1 1 1 11  9   11 o 432.970 7.3264  101806.40  3435.71  102334.60  4859.12  101278.20  4858.53  433.487 10.349  431.231 10.402  2.255646       14.67356  
1 1 1 11  9   12 o 224.635 4.1936  27355.95   1020.33  28212.95   1443.40  26499.99   1442.52  228.015 5.8446  220.970 6.0272  7.044662       8.395646  
1 1 1 11  9   13 o 100.479 2.8094  5470.41    305.739  5410.01    438.561  5527.52    426.454  99.893  4.0534  100.977 3.8992  -1.083313      5.624451  
1 1 1 11  9   14 o 79.657  3.2709  3439.07    282.199  3497.57    349.690  3329.84    477.854  80.213  4.0379  78.112  5.6872  2.101433       6.974919  
1 1 1 11  9   15 o 330.568 6.6266  59398.43   2372.57  65725.31   4110.87  56238.34   2905.28  346.617 10.950  321.305 8.3484  25.31259       13.76942  
1 1 1 11  9   16 o 110.295 2.9427  6593.33    351.540  6780.66    505.686  6418.14    489.038  111.805 4.1759  108.776 4.1509  3.028755       5.887923  
1 1 1 11  9   17 o 207.117 3.8947  23268.38   873.688  23054.08   1234.46  23483.46   1236.70  205.993 5.5329  207.908 5.4919  -1.914429      7.795797  
1 1 1 11  9   18 o 219.147 4.0775  26061.65   967.825  26353.30   1369.52  25770.68   1367.91  220.148 5.7436  217.692 5.8016  2.456085       8.163748  
1 1 1 11  9   19 f 114.057 3.1849  7055.77    393.444  7223.83    558.078  6889.69    554.764  115.323 4.4680  112.618 4.5481  2.704773       6.375575  
1 1 1 11  9   20 o 139.368 3.9082  10549.62   589.938  11048.39   997.106  10281.00   731.756  142.263 6.4711  137.466 4.9148  4.797577       8.125887  
1 1 1 11  9   21 o 89.072  4.3555  4318.01    420.188  4592.42    589.580  4034.76    599.003  91.467  5.9842  85.600  6.5096  5.867119       8.842278  
1 1 1 11  9   22 o 105.612 4.3117  6081.04    493.217  6438.00    694.156  5717.08    700.920  108.186 5.9469  101.807 6.3889  6.379036       8.728316  
1 1 1 11  9   23 o 46.419  1.6360  1168.41    82.254   818.264    259.044  1207.68    86.743   37.976  6.5336  47.190  1.6971  -9.214745      6.750399  
1 1 1 11  9   24 o 65.771  2.4214  2350.88    172.497  2049.75    319.263  2475.03    204.993  60.902  4.8810  67.445  2.8062  -6.542545      5.630173  
1 1 1 11  9   25 o 54.650  3.6150  1640.27    212.768  1580.71    297.258  1702.84    304.677  53.243  5.2219  55.301  5.1457  -2.058640      7.331227  
1 1 1 11  9   26 o 43.709  4.7503  1067.32    221.266  745.568    302.565  1437.22    324.412  35.436  8.0645  50.358  6.0701  -14.92212      10.09371  
1 1 1 11  9   27 o 20.510  7.3613  213.292    207.989  399.029    282.077  -8.0052    307.898  26.266  8.6002  18.731  8.1427  7.534498       11.84346  
1 1 1 11  9   28 f 41.015  5.4159  962.160    234.704  896.182    311.168  1049.24    357.473  38.562  7.7195  41.536  8.2369  -2.974361      11.28877  
1 1 1 11  9   29 o 55.430  4.6111  1732.81    274.322  1485.09    388.692  1978.65    387.212  49.747  7.4425  58.343  6.2236  -8.595943      9.701805  
1 1 1 11  9   30 o 47.548  5.4300  1320.57    274.625  1611.04    382.655  1012.04    394.367  51.356  7.0665  38.767  9.4727  12.58868       11.81811  
1 1 1 11  9   31 o 16.878  7.3336  46.988     249.503  62.862     347.880  30.173     358.039  19.218  8.4947  19.002  8.4950  0.2158356      12.01358  
1 1 1 11  9   32 o 33.425  7.5770  754.344    267.976  544.795    373.134  977.548    385.099  26.687  9.8184  35.855  9.6872  -9.167988      13.79285  
1 1 1 11  9   33 o 16.063  7.1966  16.319     258.433  -98.7227   358.526  140.739    372.854  16.840  7.8794  19.640  8.7322  -2.800665      11.76162  
1 1 1 11  9   34 o 21.439  9.0785  313.579    364.483  325.508    526.797  302.626    504.819  22.294  10.106  21.983  9.9349  0.3116455      14.17131  
1 1 1 11  10  0  o 63.025  2.3993  2151.31    163.779  1927.94    232.601  2370.96    230.648  59.549  3.6236  66.161  3.2187  -6.612209      4.846680  
1 1 1 11  10  1  o 533.479 10.224  154414.09  5907.69  143656.50  7234.33  175948.91  10235.51 514.266 12.988  568.594 16.620  -54.32788      21.09309  
1 1 1 11  10  2  o 337.312 5.8868  61656.86   2150.70  63993.72   3041.83  59320.85   3041.27  343.544 8.1749  330.747 8.4896  12.79657       11.78569  
1 1 1 11  10  3  o 229.925 4.2296  28639.20   1053.30  29165.33   1490.01  28113.68   1489.17  231.989 5.9300  227.765 6.0365  4.223709       8.461908  
1 1 1 11  10  4  o 396.566 6.6149  85241.93   2841.25  87015.05   4018.20  83468.91   4018.08  400.500 9.2632  392.240 9.4579  8.260071       13.23853  
1 1 1 11  10  5  o 220.762 4.2152  26403.09   1007.89  27097.38   1425.35  25708.78   1425.38  223.604 5.8854  217.795 6.0424  5.809036       8.434951  
1 1 1 11  10  6  o 406.728 8.0095  89728.30   3528.42  90851.77   4320.92  87479.82   6112.81  409.113 9.7513  400.946 14.076  8.166992       17.12387  
1 1 1 11  10  7  o 155.102 4.6879  13035.92   787.534  12993.81   1128.72  13075.87   1099.34  154.800 6.7320  155.294 6.5359  -0.4937592     9.382905  
1 1 1 11  10  8  o 188.030 7.4028  19180.80   1507.61  0.0000     0.0000   19180.80   1507.61  ?       ?       188.030 7.4028  0.000000       7.402757  
1 1 1 11  10  9  o 307.645 7.6578  51369.46   2551.68  50643.72   3611.85  52092.61   3605.40  305.114 10.929  309.470 10.756  -4.355682      15.33465  
1 1 1 11  10  10 o 383.468 7.6141  79841.89   3162.42  81172.47   3873.78  77183.31   5475.70  386.410 9.2559  375.994 13.446  10.41571       16.32366  
1 1 1 11  10  11 o 43.562  3.0822  1033.35    144.488  809.166    202.389  1266.37    206.340  38.306  4.9971  48.172  3.9907  -9.865582      6.395058  
1 1 1 11  10  12 o 93.085  2.6512  4694.44    267.292  4874.10    397.299  4545.89    361.279  94.827  3.8683  91.583  3.6421  3.243706       5.313059  
1 1 1 11  10  13 f 185.793 3.6813  18711.13   740.800  19298.26   1050.32  18129.94   1045.00  188.602 5.1417  182.795 5.2781  5.806976       7.368574  
1 1 1 11  10  14 o 124.142 3.5479  8354.00    477.040  8443.47    577.204  8161.17    847.342  124.777 4.2709  122.400 6.4139  2.377373       7.705753  
1 1 1 11  10  15 o 269.216 6.0793  39373.68   1772.65  39356.78   2796.66  39385.04   2291.85  268.527 9.6157  268.970 7.8670  -0.4438477     12.42386  
1 1 1 11  10  16 o 152.724 3.2569  12644.12   538.743  14007.68   773.916  11362.08   750.422  160.679 4.4470  144.691 4.7884  15.98830       6.534880  
1 1 1 11  10  17 o 88.226  2.7094  4218.68    258.902  4288.43    392.294  4164.86    344.610  88.909  4.0738  87.635  3.6306  1.274338       5.456829  
1 1 1 11  10  18 o 110.355 2.9709  6602.41    355.103  6946.98    503.471  6261.31    500.923  113.142 4.1085  107.402 4.3061  5.739723       5.951673  
1 1 1 11  10  19 o 116.405 2.9604  7347.83    373.244  7496.60    532.530  7204.18    523.284  117.500 4.1844  115.185 4.1944  2.315178       5.924761  
1 1 1 11  10  20 o 105.780 3.1786  6071.55    364.180  5991.88    520.330  6148.05    509.884  104.973 4.5765  106.346 4.4267  -1.373093      6.367072  
1 1 1 11  10  21 o 154.280 4.8083  12969.91   803.477  13792.34   1135.19  12144.29   1137.39  158.665 6.6057  148.762 7.0591  9.902679       9.667767  
1 1 1 11  10  22 o 34.306  7.1668  672.609    257.712  890.755    357.498  436.602    371.845  39.294  8.6355  28.911  9.8818  10.38366       13.12335  
1 1 1 11  10  23 o 40.042  4.6513  888.904    197.968  811.322    260.647  994.679    304.344  37.787  6.6092  41.845  6.9595  -4.057995      9.597669  
1 1 1 11  10  24 o 58.370  3.6299  1866.70    228.347  1735.52    302.593  2040.21    348.012  55.966  5.0461  60.634  5.3542  -4.667732      7.357344  
1 1 1 11  10  25 o 34.563  5.3908  675.787    195.223  568.746    254.712  828.203    303.940  31.135  7.6160  37.647  7.7132  -6.512512      10.83963  
1 1 1 11  10  26 f 36.829  5.8053  773.571    223.906  919.562    319.211  632.173    314.151  39.556  7.7278  32.484  8.7381  7.071640       11.66504  
1 1 1 11  10  27 o 69.372  3.7140  2654.38    278.050  2845.73    395.921  2468.16    390.578  71.244  5.1660  66.174  5.4992  5.069733       7.545138  
1 1 1 11  10  28 o 17.886  7.3346  87.513     227.026  61.664     316.525  114.899    325.803  19.833  8.4321  20.905  8.6994  -1.071835      12.11532  
1 1 1 11  10  29 o 25.763  7.9201  403.751    242.445  105.823    346.534  689.400    339.317  21.003  8.8708  32.856  9.1804  -11.85226      12.76597  
1 1 1 11  10  30 o 17.630  7.4438  74.159     243.902  298.024    338.384  -167.9064  351.870  23.477  9.1791  17.234  7.9756  6.243334       12.16005  
1 1 1 11  10  31 o 23.518  8.1838  363.674    255.498  233.917    355.357  502.537    367.614  21.747  9.0706  26.543  9.7486  -4.796289      13.31582  
1 1 1 11  10  32 o 46.650  2.5420  1210.59    127.957  1246.42    391.961  1206.31    135.374  41.712  8.9443  46.489  2.7002  -4.776787      9.342952  
1 1 1 11  10  33 o 30.624  8.0800  679.386    271.893  831.484    377.443  515.333    391.998  31.651  9.9074  25.174  9.8694  6.476652       13.98429  
1 1 1 11  10  34 o 17.461  8.1169  -23.6195   370.610  -440.3026  549.411  324.297    502.033  17.285  8.4899  22.177  9.9756  -4.892277      13.09930  
1 1 1 11  11  0  o 528.747 8.8132  151612.91  5047.23  149276.91  7137.77  153949.09  7137.96  524.284 12.570  532.448 12.377  -8.164307      17.64076  
1 1 1 11  11  1  o 286.127 4.9613  44355.82   1537.52  43520.86   2174.43  45190.71   2174.33  283.355 7.0851  288.745 6.9525  -5.389709      9.926497  
1 1 1 11  11  2  o 148.824 3.1611  11996.90   509.550  12042.89   720.976  11951.00   720.250  149.096 4.4646  148.525 4.4773  0.5700836      6.322879  
1 1 1 11  11  3  o 224.343 4.1963  27265.44   1019.65  26993.61   1442.16  27537.15   1441.83  223.183 5.9660  225.420 5.9054  -2.237366      8.394464  
1 1 1 11  11  4  o 521.198 8.8810  147348.09  5013.45  146499.09  7089.92  148197.20  7090.25  519.271 12.606  522.281 12.534  -3.010376      17.77668  
1 1 1 11  11  5  o 805.482 18.813  354117.81  16412.93 352507.31  23212.00 355728.19  23210.77 800.458 26.773  804.165 26.649  -3.707092      37.77515  
1 1 1 11  11  6  o 335.928 8.1490  61214.27   2964.97  64748.45   4195.97  57689.72   4190.25  345.233 11.221  325.811 11.874  19.42230       16.33761  
1 1 1 11  11  7  o 261.540 9.4340  37138.99   2672.41  0.0000     0.0000   37138.99   2672.41  ?       ?       261.540 9.4340  0.000000       9.433966  
1 1 1 11  11  8  o 606.577 20.326  201984.30  13353.79 0.0000     0.0000   201984.30  13353.79 ?       ?       606.577 20.326  0.000000       20.32582  
1 1 1 11  11  9  o 134.059 3.5343  9737.40    513.177  9922.84    630.466  9373.32    883.394  135.314 4.3018  131.463 6.2041  3.850922       7.549603  
1 1 1 11  11  10 o 91.289  2.7290  4514.67    269.831  4369.83    381.618  4659.49    381.579  89.796  3.9237  92.727  3.7993  -2.930428      5.461746  
1 1 1 11  11  11 o 320.585 5.6148  55752.02   1949.61  56093.11   2757.41  55411.06   2756.93  321.294 7.9237  319.329 7.9711  1.965759       11.23935  
1 1 1 11  11  12 o 233.703 4.3092  29611.43   1090.77  30304.38   1543.88  28920.80   1541.28  236.294 6.0324  230.826 6.1649  5.468475       8.625315  
1 1 1 11  11  13 o 155.056 3.2417  13029.75   544.416  13861.30   771.578  12205.29   768.273  159.876 4.4558  150.009 4.7285  9.866867       6.497180  
1 1 1 11  11  14 o 91.275  3.2740  4515.50    323.673  4582.55    399.356  4387.13    552.571  91.931  4.0108  89.712  5.7166  2.219673       6.983245  
1 1 1 11  11  15 o 399.203 7.8781  86761.49   3406.34  88246.50   5904.20  86020.58   4170.40  400.513 13.611  396.955 9.6999  3.557678       16.71329  
1 1 1 11  11  16 o 415.257 7.0583  93824.27   3174.57  93489.09   4490.39  94159.20   4488.65  413.530 10.026  415.025 9.9855  -1.494934      14.14997  
1 1 1 11  11  17 o 63.664  3.1669  2197.36    218.376  2134.93    302.395  2265.41    315.696  62.559  4.4928  64.446  4.5520  -1.886944      6.395783  
1 1 1 11  11  18 o 154.153 3.4353  12887.92   573.563  13311.57   779.428  12387.54   847.068  156.575 4.5960  150.989 5.1797  5.585754       6.924776  
1 1 1 11  11  19 o 109.727 2.9902  6529.26    355.370  6530.40    499.013  6528.08    506.202  109.664 4.2012  109.640 4.2627  0.2376556E-01  5.985065  
1 1 1 11  11  20 o 63.008  3.6919  2163.12    250.850  2052.47    361.375  2266.01    348.487  61.135  5.5170  64.330  5.0419  -3.195267      7.473839  
1 1 1 11  11  21 o 92.938  3.1573  4690.31    317.816  4712.31    446.113  4667.65    452.884  93.034  4.4272  92.582  4.5164  0.4518509      6.324382  
1 1 1 11  11  22 o 142.619 4.6451  11103.91   717.538  11431.84   1011.97  10772.34   1017.55  144.167 6.4809  139.866 6.7170  4.300201       9.333783  
1 1 1 11  11  23 o 76.586  4.4162  3217.34    364.771  3655.10    509.360  2756.49    522.624  81.278  5.8246  70.188  6.9668  11.08993       9.080859  
1 1 1 11  11  24 o 39.320  4.7365  860.356    197.657  760.309    258.570  1001.01    306.581  36.416  6.8060  41.857  7.0104  -5.441639      9.770698  
1 1 1 11  11  25 o 31.180  6.2596  560.122    204.046  744.330    276.200  338.791    302.754  35.739  7.3797  25.395  8.9044  10.34443       11.56499  
1 1 1 11  11  26 o 26.196  7.0647  401.793    205.036  315.183    277.772  505.475    303.917  24.359  8.5298  29.271  8.8413  -4.911539      12.28522  
1 1 1 11  11  27 o 66.345  3.7133  2428.66    265.759  2437.13    367.026  2419.33    385.321  65.889  5.1849  65.512  5.4808  0.3768539      7.544665  
1 1 1 11  11  28 o 75.683  3.5460  3156.81    290.675  3584.36    403.890  2697.41    418.659  80.008  4.6812  68.839  5.6654  11.16957       7.349144  
1 1 1 11  11  29 o 31.268  7.3253  597.035    243.740  709.155    346.926  487.747    342.517  33.254  9.2795  28.103  9.4847  5.150946       13.26910  
1 1 1 11  11  30 o 29.818  7.7399  568.965    252.156  467.824    352.023  675.546    361.366  26.883  9.5844  31.416  9.6713  -4.532782      13.61595  
1 1 1 11  11  31 o 31.632  8.0297  676.787    275.587  808.802    402.345  560.110    378.249  32.560  10.235  27.633  9.9261  4.927002       14.25774  
1 1 1 11  11  32 o 28.853  1.6441  456.880    51.166   362.335    306.991  459.581    51.892   23.146  8.8231  28.934  1.6628  -5.788279      8.978394  
1 1 1 11  11  33 o 24.141  2.2516  325.402    58.192   321.480    58.862   494.914    386.964  23.980  2.2943  24.825  9.7825  -0.8452950     10.04798  
1 1 1 11  11  34 o 15.473  7.2893  -124.6351  315.972  61.419     409.315  -399.0110  497.062  18.829  8.6741  16.754  8.1974  2.074276       11.93474  
1 1 1 11  12  0  o 790.465 26.231  342575.59  22457.95 342575.59  22457.95 0.0000     0.0000   790.465 26.231  ?       ?       0.000000       26.23116  
1 1 1 11  12  1  o 93.336  2.5821  4718.37    261.030  4646.73    369.797  4789.50    368.510  92.619  3.6863  94.031  3.6183  -1.412476      5.165383  
1 1 1 11  12  2  o 434.431 7.4084  102312.90  3485.91  101165.90  4929.85  103459.90  4929.80  431.760 10.542  436.638 10.424  -4.877991      14.82544  
1 1 1 11  12  3  f 347.995 7.0198  65645.48   2645.88  67207.37   3240.16  62519.61   4583.83  352.031 8.4980  339.255 12.475  12.77594       15.09418  
1 1 1 11  12  4  o 385.974 6.5897  80751.13   2754.82  80741.63   3896.00  80760.63   3895.81  385.777 9.3242  385.823 9.3227  -0.4553223E-01 13.18532  
1 1 1 11  12  5  o 394.769 9.5300  84570.55   4074.81  82385.42   5763.79  86753.97   5761.52  389.212 13.673  399.441 13.317  -10.22910      19.08636  
1 1 1 11  12  6  o 267.246 6.7660  38723.27   1958.45  39667.69   2772.21  37782.31   2767.12  270.333 9.4679  263.817 9.6840  6.516571       13.54334  
1 1 1 11  12  7  o 364.715 12.562  72370.25   4962.42  0.0000     0.0000   72370.25   4962.42  ?       ?       364.715 12.562  0.000000       12.56233  
1 1 1 11  12  8  o 351.543 8.5693  67092.53   3262.83  67607.55   4614.09  66577.40   4614.59  352.458 12.087  349.749 12.182  2.709137       17.16047  
1 1 1 11  12  9  o 144.729 3.6355  11349.45   569.887  11669.64   700.560  10723.06   979.856  146.738 4.4079  140.600 6.4344  6.138123       7.799434  
1 1 1 11  12  10 o 123.706 2.9680  8290.82    397.670  8606.09    563.446  7977.89    561.341  126.011 4.1283  121.322 4.2719  4.689644       5.940687  
1 1 1 11  12  11 o 122.252 2.9374  8097.56    388.945  8380.78    551.122  7816.52    548.987  124.344 4.0922  120.081 4.2210  4.262329       5.879006  
1 1 1 11  12  12 o 165.863 3.4321  14909.19   616.570  14754.52   872.527  15063.47   871.399  164.940 4.8841  166.660 4.8274  -1.720718      6.867188  
1 1 1 11  12  13 o 282.566 5.0059  43315.34   1532.06  44599.55   2167.63  42033.42   2165.69  286.486 6.9857  278.094 7.1901  8.392029       10.02486  
1 1 1 11  12  14 o 328.848 5.6940  58712.68   2028.05  58586.52   2868.00  58838.84   2868.20  328.076 8.0711  328.785 8.0543  -0.7091980     11.40241  
1 1 1 11  12  15 o 373.555 9.1195  76109.91   3689.72  75048.34   5220.60  77169.40   5215.52  369.573 13.042  374.840 12.846  -5.266602      18.30652  
1 1 1 11  12  16 f 239.775 4.4273  31192.95   1149.77  31074.45   1625.76  31311.54   1626.29  239.095 6.2779  240.009 6.2561  -0.9134674     8.862857  
1 1 1 11  12  17 o 127.903 3.0842  8868.47    427.262  9638.32    607.061  8112.77    601.458  133.280 4.2053  122.258 4.5421  11.02139       6.189928  
1 1 1 11  12  18 o 77.579  2.9986  3262.99    251.962  2732.33    346.400  3859.17    367.162  70.794  4.5416  84.331  4.0198  -13.53633      6.065016  
1 1 1 11  12  19 o 71.903  3.0213  2803.83    235.296  2625.75    326.855  2995.38    338.995  69.393  4.3712  74.148  4.2387  -4.755424      6.088783  
1 1 1 11  12  20 o 85.615  2.9359  3976.42    272.248  3897.28    379.324  4060.48    390.973  84.687  4.1355  86.439  4.1761  -1.752029      5.877227  
1 1 1 11  12  21 o 197.092 4.0836  21133.84   871.740  22596.74   1166.24  19281.59   1312.30  203.483 5.2916  187.612 6.4580  15.87059       8.349113  
1 1 1 11  12  22 o 29.006  7.6657  482.371    244.462  709.465    335.436  225.118    357.015  35.012  8.8431  24.454  9.4652  10.55804       12.95336  
1 1 1 11  12  23 o 105.641 4.2951  6099.37    491.446  6183.48    689.172  6012.35    700.997  105.733 6.0430  104.183 6.2410  1.550224       8.687223  
1 1 1 11  12  24 o 24.529  6.9351  344.598    192.452  473.672    259.057  185.630    287.495  28.596  8.0326  21.924  8.4916  6.671824       11.68884  
1 1 1 11  12  25 o 33.659  6.2145  650.096    218.208  669.317    310.126  631.250    307.083  33.599  8.5121  32.635  8.5757  0.9638596      12.08303  
1 1 1 11  12  26 o 32.215  6.6123  604.000    222.988  521.354    317.355  684.593    313.389  29.696  9.0492  33.798  8.5536  -4.102716      12.45200  
1 1 1 11  12  27 o 72.696  3.6756  2913.81    288.468  2842.29    410.274  2983.73    405.676  71.085  5.3683  72.939  5.1686  -1.853523      7.452053  
1 1 1 11  12  28 o 71.058  3.6308  2792.27    278.502  2889.85    383.262  2683.09    405.393  71.654  4.9691  68.745  5.4904  2.908745       7.405114  
1 1 1 11  12  29 o 60.652  4.3103  2064.44    281.312  2305.29    397.253  1822.17    398.422  63.194  5.8710  55.577  6.7579  7.617294       8.951991  
1 1 1 11  12  30 o 25.776  8.0441  424.939    249.033  666.929    355.335  191.343    349.118  31.220  9.5868  21.739  9.0226  9.480539       13.16487  
1 1 1 11  12  31 o 31.152  7.7911  649.438    262.200  551.309    367.132  751.597    374.593  27.502  9.7897  31.732  9.8597  -4.229668      13.89430  
1 1 1 11  12  32 o 22.914  8.3440  355.618    268.492  545.255    383.922  174.089    375.624  26.622  9.9278  20.654  8.9863  5.967474       13.39086  
1 1 1 11  12  33 o 19.301  7.7503  218.738    247.391  308.268    324.665  94.782     382.018  21.563  8.7985  19.181  8.6579  2.382671       12.34390  
1 1 1 11  12  34 o 17.132  7.7915  29.987     316.481  -409.2642  415.396  637.718    488.609  15.330  7.4990  25.822  10.692  -10.49221      13.05957  
1 1 1 11  13  0  o 295.065 5.2442  47173.02   1675.98  46787.72   2370.21  47558.31   2370.18  293.783 7.4489  296.194 7.3881  -2.411835      10.49143  
1 1 1 11  13  1  o 174.286 3.4718  16453.64   655.374  16320.28   926.935  16586.94   926.742  173.558 4.9310  174.971 4.8901  -1.412827      6.944647  
1 1 1 11  13  2  o 737.430 17.386  296198.81  13886.55 303931.69  19635.71 288461.50  19641.39 744.945 24.336  725.516 24.995  19.42938       34.88559  
1 1 1 11  13  3  o 567.441 9.6140  174694.91  5908.74  171688.30  8356.17  177701.59  8356.26  562.001 13.728  571.795 13.493  -9.793640      19.24856  
1 1 1 11  13  4  o 309.014 7.6194  51776.22   2550.16  55287.99   3607.70  48269.24   3605.24  319.150 10.437  298.155 11.164  20.99463       15.28273  
1 1 1 11  13  5  o 244.339 6.2400  32360.84   1651.39  35231.95   2338.66  29505.59   2332.18  254.851 8.4725  233.186 9.2340  21.66515       12.53195  
1 1 1 11  13  6  o 610.707 20.408  204194.70  13498.88 0.0000     0.0000   204194.70  13498.88 ?       ?       610.707 20.408  0.000000       20.40772  
1 1 1 11  13  7  o 440.459 8.5968  105297.30  4101.20  104108.00  7101.00  105892.50  5023.80  436.974 15.004  441.461 10.507  -4.486877      18.31663  
1 1 1 11  13  8  o 107.960 3.2271  6314.27    377.350  6381.84    465.390  6184.60    644.724  108.526 3.9592  106.660 5.6004  1.865852       6.858603  
1 1 1 11  13  9  o 242.015 4.3953  31744.15   1152.12  31039.33   1629.82  32448.16   1628.88  239.215 6.2904  244.593 6.1486  -5.377319      8.796283  
1 1 1 11  13  10 o 116.336 2.8929  7332.26    364.521  7252.73    517.067  7410.84    513.968  115.679 4.1269  116.935 4.0581  -1.255692      5.787859  
1 1 1 11  13  11 o 223.024 4.1073  26961.64   992.143  27841.63   1405.84  26088.47   1400.38  226.534 5.7297  219.274 5.8964  7.259979       8.221749  
1 1 1 11  13  12 o 190.375 3.7477  19644.29   772.760  19235.71   1093.72  20051.58   1091.98  188.299 5.3627  192.258 5.2440  -3.959320      7.500548  
1 1 1 11  13  13 o 75.306  2.6911  3072.70    219.493  2991.66    314.094  3150.04    306.852  74.181  3.9232  76.230  3.7165  -2.048737      5.404069  
1 1 1 11  13  14 o 210.206 4.0547  23960.31   923.156  22761.25   1307.23  25153.17   1303.85  204.730 5.8952  215.249 5.5926  -10.51808      8.125975  
1 1 1 11  13  15 o 387.727 7.6551  81825.64   3214.73  82982.10   3937.69  79514.37   5566.75  389.982 9.3224  380.184 13.519  9.798126       16.42148  
1 1 1 11  13  16 o 328.075 5.6882  58468.84   2021.25  60206.77   2860.98  56736.96   2855.99  332.429 7.9459  322.652 8.1724  9.777161       11.39854  
1 1 1 11  13  17 f 169.959 3.5161  15664.49   647.258  16424.06   921.058  14923.42   909.770  173.921 4.8895  165.769 5.0671  8.151718       7.041495  
1 1 1 11  13  18 o 117.326 3.0251  7463.31    384.422  7325.07    535.176  7610.67    552.550  116.169 4.2534  118.408 4.3084  -2.239548      6.054269  
1 1 1 11  13  19 o 102.085 2.9314  5651.26    324.124  5464.54    453.734  5845.83    463.171  100.314 4.1761  103.759 4.1214  -3.444443      5.867330  
1 1 1 11  13  20 o 45.081  3.7615  1111.42    181.990  1281.62    249.090  916.541    266.540  48.295  4.8266  40.511  6.2777  7.783722       7.918684  
1 1 1 11  13  21 o 3.6658  1.8021  -52.1387   24.921   339.082    202.628  -58.1474   25.112   24.605  7.1668  3.5569  1.7599  21.04767       7.379702  
1 1 1 11  13  22 o 39.660  4.7408  871.125    199.611  704.671    274.956  1056.61    290.250  35.059  7.4695  43.395  6.3645  -8.336174      9.813272  
1 1 1 11  13  23 o 64.936  4.6384  2319.73    324.085  2681.39    446.704  1917.83    470.902  69.494  5.9933  58.200  7.6560  11.29413       9.722920  
1 1 1 11  13  24 o 55.837  5.0018  1727.55    299.288  2020.51    411.939  1400.04    435.562  60.000  6.4395  49.152  8.4886  10.84868       10.65474  
1 1 1 11  13  25 o 65.373  3.6017  2344.59    254.039  2452.98    349.442  2223.10    369.967  66.519  4.8843  63.123  5.4653  3.396328       7.329830  
1 1 1 11  13  26 o 33.786  6.0023  656.157    211.602  542.976    285.640  793.811    315.012  30.194  8.4181  36.517  8.1690  -6.322584      11.73015  
1 1 1 11  13  27 o 73.277  3.5548  2950.85    282.134  3027.01    389.708  2866.96    408.986  73.579  4.9184  71.406  5.3265  2.172806       7.249963  
1 1 1 11  13  28 o 31.020  6.7166  573.020    219.130  870.696    296.191  213.076    325.699  38.088  7.4468  22.575  8.9497  15.51250       11.64264  
1 1 1 11  13  29 o 46.082  5.3542  1220.20    262.252  1336.18    371.344  1104.79    370.418  47.001  7.5501  42.134  8.4114  4.866985       11.30290  
1 1 1 11  13  30 o 42.658  5.8128  1080.90    261.577  805.381    372.082  1350.11    367.807  34.182  9.6354  46.424  7.5762  -12.24208      12.25725  
1 1 1 11  13  31 f 24.540  8.1865  404.205    255.152  529.507    356.791  273.050    365.029  27.098  9.6503  22.453  9.2645  4.645714       13.37763  
1 1 1 11  13  32 o 13.329  6.2843  -170.5316  235.758  86.204     309.438  -525.7669  363.989  18.429  8.0836  14.033  6.8964  4.396229       10.62572  
1 1 1 11  13  33 o 27.669  9.0017  599.626    309.215  1356.61    517.519  179.342    385.616  38.199  11.537  20.198  8.9350  18.00039       14.59241  
1 1 1 11  13  34 o 25.274  9.2601  528.030    331.409  497.643    431.963  571.508    516.705  24.145  10.030  24.861  10.676  -0.7157230     14.64867  
1 1 1 11  14  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  14  1  o 418.302 7.0459  94847.42   3192.25  94269.79   4514.55  95425.04   4514.50  416.828 9.9997  419.379 9.9388  -2.551025      14.09869  
1 1 1 11  14  2  o 234.866 4.3936  29884.40   1117.66  30389.68   1581.21  29379.89   1580.00  236.801 6.1650  232.830 6.2654  3.970230       8.789930  
1 1 1 11  14  3  o 633.721 17.718  218873.41  12161.71 219215.41  22504.12 218732.30  14454.23 628.435 33.180  632.682 21.093  -4.246887      39.31685  
1 1 1 11  14  4  f 481.996 11.452  126171.00  5978.37  124201.70  8455.60  128139.30  8453.79  477.518 16.349  485.072 16.091  -7.554108      22.93888  
1 1 1 11  14  5  o 315.979 11.062  54228.36   3786.00  0.0000     0.0000   54228.36   3786.00  ?       ?       315.979 11.062  0.000000       11.06246  
1 1 1 11  14  6  o 416.737 8.1655  94221.07   3685.66  102712.00  6380.73  89969.61   4515.06  434.421 13.561  407.016 10.242  27.40503       16.99401  
1 1 1 11  14  7  o 391.589 9.4547  83271.53   4010.05  85855.55   5670.63  80686.70   5671.52  397.102 13.184  384.897 13.605  12.20563       18.94496  
1 1 1 11  14  8  o 306.591 6.3134  50976.71   2096.50  51145.55   2568.88  50639.98   3627.83  306.991 7.7259  305.143 10.977  1.848419       13.42306  
1 1 1 11  14  9  o 92.330  2.7040  4618.01    270.403  4534.52    383.979  4700.14    380.855  91.477  3.8755  93.134  3.7756  -1.657074      5.410579  
1 1 1 11  14  10 o 352.206 6.0702  67299.64   2315.64  67784.70   3275.65  66815.09   3273.98  353.160 8.5636  350.616 8.6213  2.543365       12.15163  
1 1 1 11  14  11 o 258.917 4.7109  36349.63   1321.08  36087.15   1868.51  36611.98   1868.07  257.818 6.6913  259.690 6.6415  -1.872864      9.427825  
1 1 1 11  14  12 o 155.008 3.2898  13021.00   552.328  13542.16   782.929  12504.66   779.303  158.030 4.5742  151.849 4.7383  6.181427       6.585957  
1 1 1 11  14  13 o 162.137 3.3819  14248.18   593.908  14826.62   840.705  13671.93   839.121  165.333 4.6948  158.754 4.8801  6.578552       6.771730  
1 1 1 11  14  14 o 128.793 3.0562  8989.74    426.327  9203.22    608.886  8784.44    597.121  130.265 4.3156  127.266 4.3319  2.999023       6.114691  
1 1 1 11  14  15 o 248.810 5.2598  33606.50   1417.45  33818.05   1736.89  33184.65   2452.62  249.444 6.4288  246.636 9.1813  2.807388       11.20826  
1 1 1 11  14  16 o 402.449 8.6388  88340.24   3765.61  87020.92   5880.81  89257.10   4902.45  397.317 13.666  403.550 11.216  -6.232910      17.67918  
1 1 1 11  14  17 o 52.781  3.3812  1516.78    192.277  1646.58    272.075  1387.28    271.766  54.882  4.6200  50.290  5.0579  4.592407       6.850346  
1 1 1 11  14  18 o 204.475 3.9266  22686.99   869.610  21556.59   1228.59  23821.93   1231.05  199.098 5.6973  209.338 5.4294  -10.23997      7.870064  
1 1 1 11  14  19 o 144.833 3.2506  11379.05   509.924  11922.20   718.516  10827.88   723.797  148.138 4.4782  141.149 4.7344  6.988739       6.516826  
1 1 1 11  14  20 o 48.327  3.5780  1275.10    185.955  1360.01    254.300  1177.52    272.615  49.769  4.7762  46.153  5.5658  3.615536       7.334236  
1 1 1 11  14  21 o 117.633 2.9801  7512.86    379.691  7816.65    533.880  7201.95    540.104  119.850 4.1128  115.010 4.3358  4.839966       5.976163  
1 1 1 11  14  22 o 105.406 3.1004  6039.57    353.962  6202.43    496.246  5870.90    505.026  106.633 4.2967  103.709 4.4960  2.924370       6.218983  
1 1 1 11  14  23 o 83.445  3.1765  3790.34    287.093  3920.49    400.543  3652.83    411.708  84.558  4.3885  81.543  4.6812  3.015556       6.416615  
1 1 1 11  14  24 o 17.257  7.2364  35.792     227.938  128.210    306.054  -79.3192   341.568  21.264  8.5916  19.069  8.4235  2.195572       12.03208  
1 1 1 11  14  25 o 51.844  5.3196  1502.27    294.480  1376.88    403.113  1645.75    431.220  48.711  7.9121  53.445  7.6692  -4.733654      11.01898  
1 1 1 11  14  26 o 13.314  6.0596  -107.5434  191.857  -2.9085    256.762  -239.8161  288.688  17.368  7.4928  15.291  7.1265  2.077459       10.34067  
1 1 1 11  14  27 o 48.287  4.7658  1307.90    245.998  1153.14    348.611  1461.38    347.181  44.183  7.5563  50.349  6.5195  -6.165768      9.980080  
1 1 1 11  14  28 o 58.847  4.0015  1926.61    253.532  1966.62    348.928  1881.85    369.012  58.753  5.5489  57.201  6.0479  1.552135       8.207759  
1 1 1 11  14  29 o 34.185  6.9838  706.408    249.844  866.422    356.390  551.770    350.353  36.831  9.0084  29.472  9.5815  7.359449       13.15128  
1 1 1 11  14  30 o 18.206  7.5195  113.178    240.804  172.762    339.043  52.524     342.074  21.205  8.8537  19.501  8.5279  1.704102       12.29277  
1 1 1 11  14  31 o 17.194  7.3272  79.907     240.006  204.138    331.347  -57.2122   348.112  20.954  8.7511  17.771  8.1166  3.183897       11.93570  
1 1 1 11  14  32 f 20.228  7.8121  245.001    242.787  266.007    321.409  217.088    370.507  21.390  8.7440  21.141  9.0586  0.2493134      12.59032  
1 1 1 11  14  33 o 22.310  8.4739  355.031    282.538  562.552    418.998  181.985    382.614  25.747  10.169  20.188  8.9168  5.559343       13.52451  
1 1 1 11  14  34 o 18.861  8.2394  160.907    318.599  270.718    409.851  -6.7771    506.463  21.115  9.2814  19.372  9.1573  1.742857       13.03843  
1 1 1 11  15  0  o 482.143 8.0617  126044.30  4209.88  129017.20  5953.91  123072.00  5953.44  487.511 11.276  476.118 11.545  11.39236       16.13767  
1 1 1 11  15  1  o 298.546 5.2590  48293.94   1700.55  50511.24   2405.64  46079.23   2404.23  305.249 7.2762  291.535 7.6140  13.71320       10.53172  
1 1 1 11  15  2  o 487.649 11.488  129117.60  6067.66  137608.30  8582.29  120632.20  8579.66  502.851 15.758  470.651 16.831  32.19952       23.05593  
1 1 1 11  15  3  o 833.235 27.712  381976.81  25009.88 0.0000     0.0000   381976.81  25009.88 ?       ?       833.235 27.712  0.000000       27.71236  
1 1 1 11  15  4  f 181.436 5.1124  17837.72   1004.66  19366.98   1422.44  16315.45   1419.19  189.007 6.9484  173.462 7.5538  15.54515       10.26353  
1 1 1 11  15  5  o 422.844 9.7341  97054.27   4458.06  0.0000     0.0000   97054.27   4458.06  ?       ?       422.844 9.7341  0.000000       9.734104  
1 1 1 11  15  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  15  7  o 376.184 7.4802  76773.05   3047.78  77049.55   3733.98  76221.13   5275.44  376.695 9.1519  374.158 13.018  2.536621       15.91279  
1 1 1 11  15  8  o 482.772 8.1073  126520.00  4239.25  125385.30  5995.55  127654.30  5994.85  480.018 11.532  484.362 11.427  -4.344849      16.23467  
1 1 1 11  15  9  o 287.923 5.0710  44943.56   1581.38  46609.24   2237.29  43280.50   2235.53  293.060 7.0485  282.379 7.3093  10.68121       10.15416  
1 1 1 11  15  10 o 199.741 3.8805  21622.23   839.519  21635.50   1188.21  21609.00   1186.31  199.727 5.4927  199.605 5.4873  0.1220245      7.764013  
1 1 1 11  15  11 o 365.258 6.3166  72413.63   2498.92  69973.75   3534.43  74852.30   3533.57  358.616 9.0995  370.964 8.7945  -12.34787      12.65483  
1 1 1 11  15  12 o 272.279 4.8869  40209.40   1441.19  40315.63   2039.15  40103.38   2037.16  272.433 6.9107  271.713 6.9222  0.7194824      9.781325  
1 1 1 11  15  13 o 234.784 4.5104  29896.09   1146.97  31661.14   1523.05  27583.67   1743.30  241.497 5.8228  225.272 7.1449  16.22546       9.217063  
1 1 1 11  15  14 o 315.033 6.3793  53921.57   2176.71  53625.47   2665.80  54513.94   3770.49  313.907 7.8407  315.743 11.025  -1.836182      13.52908  
1 1 1 11  15  15 o 607.515 11.747  202301.59  7729.71  204879.59  9467.07  197146.20  13387.83 609.583 14.339  592.103 20.876  17.48035       25.32584  
1 1 1 11  15  16 o 352.548 7.6404  67691.09   2917.44  67090.13   4568.97  68104.80   3790.89  349.511 12.069  352.944 9.9167  -3.433411      15.62087  
1 1 1 11  15  17 o 84.683  2.9247  3887.33    268.254  4058.39    379.718  3716.90    379.019  86.488  4.0535  82.654  4.2482  3.834625       5.871798  
1 1 1 11  15  18 o 185.413 3.7122  18650.72   745.484  18514.40   1053.38  18787.51   1055.17  184.566 5.2694  185.926 5.2398  -1.360062      7.431141  
1 1 1 11  15  19 o 203.331 3.9112  22445.20   861.364  21868.76   1216.12  23025.50   1220.19  200.442 5.6017  205.698 5.4768  -5.255829      7.834184  
1 1 1 11  15  20 o 76.716  3.0260  3193.47    251.438  3106.05    355.156  3281.32    356.019  75.455  4.3644  77.575  4.2534  -2.120483      6.094209  
1 1 1 11  15  21 o 134.824 3.1575  9872.83    461.084  9812.21    647.788  9935.08    656.441  134.215 4.4562  135.047 4.4879  -0.8321228     6.324419  
1 1 1 11  15  22 o 70.517  3.0098  2702.72    229.880  2799.80    316.663  2594.56    334.250  71.547  4.1035  68.794  4.5109  2.753044       6.098130  
1 1 1 11  15  23 o 92.980  3.1029  4705.25    312.481  5296.51    438.172  4093.36    445.755  98.464  4.1086  86.299  4.7877  12.16486       6.308931  
1 1 1 11  15  24 o 130.832 4.5496  9391.55    644.702  9969.22    903.921  8793.43    919.778  134.039 6.2263  125.433 6.7956  8.606148       9.216630  
1 1 1 11  15  25 o 73.591  4.7349  2996.22    375.399  2847.41    541.591  3133.83    520.808  70.778  7.1635  74.580  6.5128  -3.801964      9.681542  
1 1 1 11  15  26 o 70.840  3.5371  2750.31    271.389  3126.09    375.640  2340.00    392.521  75.069  4.6428  64.518  5.6748  10.55100       7.332022  
1 1 1 11  15  27 o 24.625  7.2843  356.437    207.903  256.257    279.425  480.670    311.167  22.807  8.4766  28.388  9.0101  -5.581436      12.37073  
1 1 1 11  15  28 o 57.614  4.0623  1848.72    251.871  2155.99    346.734  1505.46    366.485  61.694  5.2385  50.677  6.8526  11.01660       8.625586  
1 1 1 11  15  29 o 51.360  2.5306  1444.71    140.771  1476.91    407.037  1440.34    150.029  49.150  7.9149  51.169  2.7168  -2.019310      8.368185  
1 1 1 11  15  30 o 33.165  7.1186  690.483    248.059  543.966    343.284  850.588    358.850  28.332  9.4956  35.323  9.2648  -6.991011      13.26664  
1 1 1 11  15  31 o 16.292  6.9238  67.393     213.262  -123.1706  308.511  241.785    295.130  16.109  7.4596  21.118  8.4704  -5.009062      11.28684  
1 1 1 11  15  32 o 25.840  8.0341  468.796    248.675  562.664    327.447  340.889    382.234  27.306  9.2734  23.038  9.4902  4.267962       13.26876  
1 1 1 11  15  33 o 17.393  7.6238  88.114     274.816  97.657     403.248  79.838     375.530  19.450  8.8264  18.891  8.5504  0.5593796      12.28877  
1 1 1 11  15  34 o 23.347  9.0603  429.154    327.788  577.766    422.587  204.686    519.357  25.404  10.155  21.177  9.7615  4.227213       14.08565  
1 1 1 11  16  0  o 635.552 14.854  219673.00  10225.06 230777.20  14461.13 208570.91  14459.71 650.170 20.535  617.832 21.608  32.33759       29.80976  
1 1 1 11  16  1  o 394.530 7.8749  84396.88   3365.08  82346.51   4120.30  88503.95   5831.48  389.582 9.7647  403.559 13.341  -13.97778      16.53309  
1 1 1 11  16  2  o 217.631 5.7000  25666.43   1343.59  28876.52   1903.39  22478.26   1896.88  230.780 7.6148  203.581 8.6026  27.19914       11.48872  
1 1 1 11  16  3  f 860.935 28.656  408405.31  26721.22 0.0000     0.0000   408405.31  26721.22 ?       ?       860.935 28.656  0.000000       28.65603  
1 1 1 11  16  4  o 498.754 11.713  135138.70  6327.56  0.0000     0.0000   135138.70  6327.56  ?       ?       498.754 11.713  0.000000       11.71332  
1 1 1 11  16  5  o 161.146 3.9115  14068.46   682.709  16060.76   1174.86  13052.73   838.880  172.124 6.3019  155.200 4.9904  16.92424       8.038581  
1 1 1 11  16  6  o 453.543 8.8015  111646.60  4323.58  113541.20  5296.25  107861.40  7485.96  457.133 10.697  444.741 15.541  12.39120       18.86624  
1 1 1 11  16  7  o 234.198 4.9104  29726.83   1245.58  29622.95   1527.40  29933.07   2152.11  233.742 6.0332  234.828 8.4615  -1.085953      10.39209  
1 1 1 11  16  8  o 475.525 7.9945  122750.50  4117.49  122143.70  5823.36  123357.10  5822.66  473.776 11.348  476.135 11.291  -2.358978      16.00825  
1 1 1 11  16  9  o 502.749 8.3568  137298.41  4550.52  139474.50  6436.09  135123.30  6434.73  505.968 11.744  497.965 11.931  8.002686       16.74122  
1 1 1 11  16  10 o 361.274 6.2570  70823.80   2448.37  70735.34   3463.35  70912.16   3461.68  360.687 8.8653  361.140 8.8499  -0.4530029     12.52660  
1 1 1 11  16  11 o 209.006 3.9725  23678.34   899.268  24685.92   1272.34  22672.62   1271.17  213.318 5.5069  204.418 5.7413  8.899216       7.955447  
1 1 1 11  16  12 o 111.335 2.8823  6716.36    347.565  6794.56    498.683  6642.49    484.678  111.950 4.1127  110.692 4.0427  1.257782       5.766949  
1 1 1 11  16  13 f 179.790 3.5803  17521.66   697.190  18211.25   988.773  16839.82   983.203  183.213 4.9827  176.169 5.1528  7.044647       7.167933  
1 1 1 11  16  14 o 239.660 4.4126  31153.74   1145.40  31910.95   1620.70  30398.14   1618.97  242.373 6.1737  236.541 6.3192  5.832123       8.834450  
1 1 1 11  16  15 o 132.436 3.6078  9509.39    517.504  9646.77    635.022  9237.75    892.946  133.352 4.3966  130.375 6.3235  2.976837       7.701788  
1 1 1 11  16  16 o 451.471 9.5277  111367.10  4658.92  120450.80  7264.94  105021.90  6071.85  466.901 14.366  436.851 12.833  30.04932       19.26294  
1 1 1 11  16  17 o 157.066 3.3766  13377.34   574.427  13244.92   812.516  13509.65   812.208  156.183 4.8032  157.741 4.7539  -1.557343      6.757985  
1 1 1 11  16  18 o 139.623 3.2103  10571.65   485.481  10932.93   686.028  10209.22   687.121  141.898 4.4637  137.108 4.6270  4.790344       6.429138  
1 1 1 11  16  19 o 102.930 2.9625  5745.84    330.268  5721.51    467.196  5770.14    466.942  102.636 4.2027  103.073 4.1826  -0.4367218     5.929334  
1 1 1 11  16  20 o 103.434 3.0032  5805.31    336.453  6157.85    480.923  5467.35    470.869  106.431 4.1719  100.271 4.3356  6.159790       6.016878  
1 1 1 11  16  21 o 178.093 3.6028  17243.25   694.965  16972.02   979.536  17518.15   986.156  176.337 5.1287  179.164 5.0819  -2.827408      7.220049  
1 1 1 11  16  22 o 87.204  2.9058  4132.47    274.456  3940.09    380.528  4341.06    396.225  85.001  4.1333  89.226  4.1000  -4.225273      5.821822  
1 1 1 11  16  23 o 113.060 3.1204  6958.01    382.117  6970.21    535.925  6945.39    544.980  112.879 4.3835  112.657 4.4664  0.2227325      6.258066  
1 1 1 11  16  24 o 97.910  3.1366  5224.36    332.620  5542.51    465.186  4891.55    475.784  100.577 4.2703  94.383  4.6542  6.193657       6.316418  
1 1 1 11  16  25 o 34.771  7.1640  703.942    260.821  455.403    349.117  1017.89    392.374  28.514  9.5758  41.333  9.0182  -12.81917      13.15387  
1 1 1 11  16  26 o 54.850  5.2455  1686.62    307.821  1743.17    419.763  1620.84    452.756  54.962  7.2265  52.504  8.2323  2.458633       10.95413  
1 1 1 11  16  27 o 25.144  7.3170  373.295    211.301  581.823    283.615  113.149    316.779  30.973  8.2903  20.821  8.6140  10.15269       11.95533  
1 1 1 11  16  28 o 16.936  6.9595  74.402     204.932  106.917    272.944  32.387     310.265  19.461  8.0184  19.188  8.2574  0.2725811      11.50991  
1 1 1 11  16  29 o 36.007  6.2040  767.325    233.214  648.269    307.143  929.417    358.382  31.925  8.6621  38.216  8.8350  -6.290701      12.37291  
1 1 1 11  16  30 o 32.650  7.3198  676.334    252.460  723.488    357.820  629.594    356.249  32.262  9.5594  30.120  9.6493  2.142738       13.58278  
1 1 1 11  16  31 o 17.699  7.3380  119.576    230.572  8.5775     307.001  263.202    349.219  17.633  7.8758  22.088  9.0817  -4.455036      12.02109  
1 1 1 11  16  32 o 27.113  7.9260  514.712    247.438  493.735    327.964  542.430    376.997  25.755  9.2437  26.479  9.8451  -0.7240467     13.50453  
1 1 1 11  16  33 o 15.554  7.2673  -105.9384  303.153  180.743    390.139  -542.8135  481.613  20.219  8.9635  15.981  7.8691  4.237535       11.92754  
1 1 1 11  16  34 o 24.477  9.1504  484.757    326.543  753.127    423.114  89.478     513.502  28.428  10.456  20.211  9.4483  8.216919       14.09245  
1 1 1 11  17  0  o 286.822 7.3789  44599.24   2292.32  48302.64   3237.68  40876.78   3246.01  298.359 10.019  274.418 10.921  23.94141       14.82065  
1 1 1 11  17  1  o 34.119  7.5044  655.962    269.783  0.0000     0.0000   655.962    269.783  ?       ?       34.119  7.5044  0.000000       7.504385  
1 1 1 11  17  2  f 160.712 6.7452  14000.53   1174.12  0.0000     0.0000   14000.53   1174.12  ?       ?       160.712 6.7452  0.000000       6.745179  
1 1 1 11  17  3  o 132.621 4.2274  9528.67    607.230  0.0000     0.0000   9528.67    607.230  ?       ?       132.621 4.2274  0.000000       4.227388  
1 1 1 11  17  4  o 502.719 11.963  137330.30  6513.69  138484.09  9206.36  136173.80  9217.16  503.982 16.866  499.728 17.029  4.254303       23.96750  
1 1 1 11  17  5  o 164.991 4.7448  14750.95   847.901  15190.30   1199.42  14312.05   1198.81  167.383 6.6159  162.467 6.8127  4.916473       9.496427  
1 1 1 11  17  6  o 464.346 9.0093  117049.10  4531.07  116748.50  5550.40  117649.70  7845.25  463.467 11.057  464.423 15.596  -0.9553528     19.11810  
1 1 1 11  17  7  o 849.207 16.213  393983.91  14912.31 403645.09  25832.62 389155.50  18262.46 852.216 27.986  842.056 20.024  10.15973       34.41220  
1 1 1 11  17  8  o 455.192 7.6918  112465.30  3792.23  115539.90  5363.67  109392.20  5362.36  460.873 10.745  448.388 11.042  12.48447       15.40695  
1 1 1 11  17  9  f 122.077 2.9796  8073.83    393.974  7986.14    559.329  8160.19    555.024  121.387 4.2543  122.704 4.1762  -1.317467      5.961502  
1 1 1 11  17  10 o 389.807 6.6749  82479.72   2818.15  82661.50   3986.07  82298.05   3984.85  389.785 9.4417  388.924 9.4597  0.8612976      13.36529  
1 1 1 11  17  11 o 183.208 3.6428  18191.28   722.860  18683.60   1022.71  17699.78   1021.85  185.602 5.0874  180.642 5.2227  4.960052       7.291022  
1 1 1 11  17  12 o 281.329 5.0064  42932.47   1525.48  43664.59   2158.22  42201.53   2156.49  283.491 7.0289  278.686 7.1443  4.804840       10.02230  
1 1 1 11  17  13 o 57.253  2.8049  1776.17    173.931  2092.53    265.956  1539.75    229.913  61.997  3.9817  53.138  4.0246  8.858681       5.661388  
1 1 1 11  17  14 o 486.377 8.1983  128811.70  4318.86  130536.30  6108.25  127087.60  6107.33  488.316 11.549  481.752 11.705  6.563812       16.44320  
1 1 1 11  17  15 o 301.934 5.3036  49494.37   1734.43  49884.61   2452.83  49104.12   2452.86  302.747 7.4803  300.357 7.5399  2.389709       10.62095  
1 1 1 11  17  16 o 55.363  2.4991  1660.94    149.857  1601.08    406.799  1670.34    161.193  53.770  7.1633  55.517  2.6807  -1.747459      7.648481  
1 1 1 11  17  17 o 240.242 4.4399  31327.92   1155.30  32010.74   1635.87  30648.47   1631.83  242.579 6.2262  237.340 6.3479  5.238800       8.891697  
1 1 1 11  17  18 o 117.143 3.0466  7440.78    386.549  7689.46    550.446  7198.82    542.956  119.013 4.2702  115.148 4.3535  3.865051       6.098188  
1 1 1 11  17  19 o 178.733 3.6389  17339.04   704.445  18136.15   994.911  16537.68   997.566  182.609 5.0303  174.338 5.2830  8.271255       7.294753  
1 1 1 11  17  20 o 93.512  2.9186  4744.67    295.602  4525.52    411.461  4978.42    424.955  91.236  4.1638  95.698  4.0999  -4.462090      5.843462  
1 1 1 11  17  21 o 106.634 2.8792  6173.54    332.534  6296.45    475.755  6056.13    464.978  107.553 4.0841  105.482 4.0699  2.070618       5.765734  
1 1 1 11  17  22 o 53.622  3.4368  1571.16    198.552  1637.98    276.805  1500.35    284.962  54.542  4.7326  52.108  5.1150  2.433403       6.968550  
1 1 1 11  17  23 o 29.570  5.1916  493.864    160.207  538.372    214.452  437.654    240.999  30.603  6.6592  27.590  7.7467  3.013084       10.21550  
1 1 1 11  17  24 o 53.606  3.7598  1578.03    216.913  1586.01    323.786  1571.53    292.166  53.271  5.7002  53.179  5.1364  0.9204865E-01  7.673009  
1 1 1 11  17  25 o 44.562  6.3021  1129.10    295.687  1078.66    374.722  1212.34    481.350  42.802  8.3829  44.723  10.167  -1.920921      13.17747  
1 1 1 11  17  26 o 30.425  8.4154  553.471    286.649  210.762    414.904  866.431    396.488  24.689  9.9936  37.611  9.6771  -12.92187      13.91103  
1 1 1 11  17  27 o 41.573  5.1713  979.407    227.820  948.633    309.628  1015.74    336.409  40.018  7.4167  41.260  7.8138  -1.242565      10.77329  
1 1 1 11  17  28 o 22.804  7.4536  300.073    211.913  271.112    283.477  336.759    319.045  22.983  8.5387  24.885  9.0905  -1.901960      12.47182  
1 1 1 11  17  29 o 73.177  2.8314  2942.34    224.410  2920.78    263.191  2999.77    429.504  72.703  3.3423  72.263  5.5295  0.4396591      6.461156  
1 1 1 11  17  30 o 18.377  7.4159  140.247    227.721  151.762    302.368  125.157    346.147  20.087  8.3717  20.477  8.7645  -0.3902817     12.12034  
1 1 1 11  17  31 o 23.912  8.1144  381.378    250.712  181.583    351.409  588.504    357.797  20.839  8.8728  28.255  9.6929  -7.416138      13.14072  
1 1 1 11  17  32 o 36.475  6.6439  858.685    252.805  660.214    340.676  1101.91    377.138  29.291  9.4416  38.717  9.1401  -9.426691      13.14095  
1 1 1 11  17  33 o 18.242  1.7172  184.221    33.530   -276.7868  391.660  187.624    33.653   15.932  7.6718  18.414  1.7068  -2.481590      7.859371  
1 1 1 11  18  0  o 339.145 11.765  62462.19   4321.65  0.0000     0.0000   62462.19   4321.65  ?       ?       339.145 11.765  0.000000       11.76503  
1 1 1 11  18  1  o 201.038 10.418  21994.80   2260.64  0.0000     0.0000   21994.80   2260.64  ?       ?       201.038 10.418  0.000000       10.41778  
1 1 1 11  18  2  o 448.024 15.147  109235.30  7350.19  0.0000     0.0000   109235.30  7350.19  ?       ?       448.024 15.147  0.000000       15.14702  
1 1 1 11  18  3  o 425.379 8.3033  98145.82   3825.59  96123.23   6621.57  99159.21   4686.99  420.295 14.546  427.407 10.125  -7.112457      17.72255  
1 1 1 11  18  4  o 341.811 8.3469  63381.16   3090.17  64173.79   4369.93  62588.38   4370.38  343.653 11.740  339.367 11.890  4.286316       16.70952  
1 1 1 11  18  5  o 149.698 3.9137  12140.96   634.553  11815.74   802.161  12684.79   1037.28  147.659 5.0157  152.964 6.2609  -5.304398      8.022255  
1 1 1 11  18  6  o 408.687 6.9197  90585.38   3063.03  90968.66   4331.89  90202.13   4331.65  409.253 9.7727  407.520 9.8138  1.732910       13.84977  
1 1 1 11  18  7  o 411.951 7.0225  92059.98   3133.33  91684.45   4431.59  92435.39   4430.81  410.756 9.9610  412.441 9.9186  -1.684692      14.05708  
1 1 1 11  18  8  o 492.331 8.2380  131621.41  4392.90  131618.41  6212.65  131624.41  6212.33  491.659 11.667  491.671 11.666  -0.1150513E-01 16.49838  
1 1 1 11  18  9  o 55.208  2.6971  1651.16    161.275  1793.21    236.064  1526.83    220.851  57.397  3.8190  52.937  3.8788  4.459763       5.443372  
1 1 1 11  18  10 o 189.559 3.7428  19473.78   768.434  19727.67   1088.38  19221.42   1085.08  190.721 5.2688  188.255 5.3217  2.465805       7.488698  
1 1 1 11  18  11 o 314.946 5.5443  53815.16   1891.28  55247.07   2675.49  52385.02   2673.85  318.832 7.7477  310.435 7.9524  8.397797       11.10254  
1 1 1 11  18  12 o 125.970 2.9526  8598.59    402.854  9398.71    573.292  7818.09    566.216  131.668 4.0200  120.076 4.3537  11.59203       5.925798  
1 1 1 11  18  13 o 277.592 4.9423  41806.57   1485.96  42447.93   2102.47  41166.42   2100.48  279.466 6.9459  275.201 7.0469  4.265320       9.894655  
1 1 1 11  18  14 o 197.177 3.8125  21080.12   814.210  21926.76   1153.21  20238.57   1149.73  200.986 5.2975  193.077 5.4979  7.909256       7.634807  
1 1 1 11  18  15 o 250.656 4.5761  34088.95   1242.35  33732.69   1756.24  34445.78   1757.67  249.102 6.5093  251.731 6.4466  -2.628387      9.161330  
1 1 1 11  18  16 o 135.816 4.3908  10008.77   645.897  11924.90   884.932  7824.23    944.884  148.164 5.5144  119.655 7.3261  28.50917       9.169532  
1 1 1 11  18  17 o 155.570 3.3654  13124.14   567.058  12795.86   801.550  13453.07   802.333  153.505 4.8210  157.408 4.7061  -3.902802      6.737165  
1 1 1 11  18  18 o 188.490 3.7536  19278.10   766.313  19880.25   1083.40  18675.21   1084.06  191.236 5.2306  185.326 5.4007  5.909607       7.518378  
1 1 1 11  18  19 o 166.272 3.4979  15003.71   629.936  15448.34   889.782  14556.90   891.951  168.549 4.8740  163.592 5.0340  4.957703       7.006905  
1 1 1 11  18  20 o 22.949  6.0804  297.867    153.556  301.095    206.148  293.845    230.151  23.504  7.3161  23.629  7.7700  -0.1250858     10.67229  
1 1 1 11  18  21 o 216.846 4.3122  25614.50   1012.80  25722.74   1347.06  25473.74   1536.13  216.818 5.7362  215.415 6.5839  1.403000       8.732193  
1 1 1 11  18  22 o 111.426 2.9847  6749.49    360.216  6490.83    502.218  7023.54    516.947  109.056 4.2518  113.452 4.2069  -4.396164      5.981293  
1 1 1 11  18  23 o 89.052  2.9310  4314.72    282.703  4453.81    392.347  4164.54    407.699  90.293  4.0119  87.252  4.3141  3.040550       5.891244  
1 1 1 11  18  24 o 66.039  2.6228  2372.52    187.600  3134.79    348.962  2062.66    222.485  75.508  4.2846  61.397  3.3584  14.11072       5.443965  
1 1 1 11  18  25 o 50.059  2.4264  1363.52    131.557  1671.49    347.304  1311.92    142.150  54.475  5.9850  49.004  2.6885  5.471054       6.561106  
1 1 1 11  18  26 o 79.969  4.4919  3543.23    387.490  3622.71    530.756  3452.51    567.027  80.077  6.1670  77.821  6.7954  2.256042       9.176543  
1 1 1 11  18  27 o 27.342  8.1226  447.153    258.096  402.541    343.392  505.078    391.285  26.801  9.4756  29.331  10.132  -2.529669      13.87248  
1 1 1 11  18  28 o 38.428  5.6424  851.963    227.851  952.116    310.273  734.731    335.687  39.822  7.4680  34.246  8.9504  5.575878       11.65676  
1 1 1 11  18  29 o 58.624  4.1799  1930.06    263.667  1802.13    354.365  2088.73    394.640  55.623  5.9758  59.774  6.1851  -4.151226      8.600326  
1 1 1 11  18  30 o 63.493  2.7180  2226.85    186.918  2035.32    410.121  2277.06    209.996  57.667  6.6906  64.054  3.0269  -6.387779      7.343403  
1 1 1 11  18  31 o 34.852  6.8027  774.722    247.574  510.238    335.187  1092.23    367.251  26.688  9.3686  39.653  8.7825  -12.96517      12.84146  
1 1 1 11  18  32 o ?       ?       -240.3859  38.604   88.027     348.855  -244.4574  38.843   19.027  8.4536  ?       ?       0.000000       8.453558  
1 1 1 11  18  33 o 17.310  7.7891  43.757     306.374  43.633     396.589  43.941     482.488  18.741  8.5984  19.811  9.2268  -1.070082      12.61215  
1 1 1 11  19  0  o 551.848 18.458  166082.50  11032.46 0.0000     0.0000   166082.50  11032.46 ?       ?       551.848 18.458  0.000000       18.45792  
1 1 1 11  19  1  o 346.838 12.001  65345.46   4508.43  0.0000     0.0000   65345.46   4508.43  ?       ?       346.838 12.001  0.000000       12.00129  
1 1 1 11  19  2  o 406.190 9.7328  89538.20   4281.91  91384.75   6055.74  87691.88   6055.34  409.945 13.639  401.542 13.923  8.403046       19.49017  
1 1 1 11  19  3  o 330.864 6.6879  59346.82   2396.70  57137.64   2936.98  63750.39   4146.56  324.552 8.3550  342.596 11.175  -18.04474      13.95277  
1 1 1 11  19  4  o 65.717  2.9634  2339.33    210.932  2363.20    266.371  2299.19    345.401  65.940  3.7451  64.949  4.9472  0.9912415      6.204850  
1 1 1 11  19  5  o 497.060 9.6257  134153.30  5182.15  134656.80  6347.99  133147.30  8972.42  497.667 11.777  493.871 16.774  3.795197       20.49501  
1 1 1 11  19  6  o 603.558 11.722  198136.20  7663.05  198326.70  9384.33  197755.00  13275.50 603.193 14.364  600.338 20.417  2.854675       24.96329  
1 1 1 11  19  7  o 274.023 4.7678  40697.50   1415.06  41795.79   2002.20  39601.41   2000.20  277.589 6.6594  270.192 6.8349  7.396729       9.542704  
1 1 1 11  19  8  o 81.087  2.6492  3561.81    232.666  3842.77    332.736  3293.00    325.463  84.214  3.6479  77.955  3.8547  6.258995       5.307160  
1 1 1 11  19  9  f 257.353 4.6492  35904.20   1295.93  36641.75   1834.09  35168.86   1831.36  259.854 6.5166  254.568 6.6420  5.286224       9.304970  
1 1 1 11  19  10 o 135.325 3.0516  9922.35    447.276  10582.22   635.286  9273.75    629.838  139.721 4.1980  130.790 4.4462  8.930603       6.114830  
1 1 1 11  19  11 o 156.473 3.3609  13268.29   569.598  12541.66   807.208  13988.92   803.869  152.070 4.9009  160.617 4.6209  -8.547546      6.735774  
1 1 1 11  19  12 o 285.885 5.0658  44338.76   1568.58  45757.01   2219.85  42924.43   2216.78  290.181 7.0629  281.026 7.2829  9.155518       10.14524  
1 1 1 11  19  13 o 429.800 7.3471  100448.30  3420.23  100381.40  4837.52  100515.10  4836.35  428.777 10.416  429.066 10.407  -0.2887573     14.72439  
1 1 1 11  19  14 o 197.352 3.8090  21117.70   814.192  22008.39   1152.15  20229.19   1150.74  201.360 5.2828  193.030 5.5040  8.329666       7.629054  
1 1 1 11  19  15 o 218.223 4.1069  25828.89   970.710  25665.97   1371.92  25992.22   1373.66  217.365 5.8273  218.745 5.7979  -1.380569      8.220314  
1 1 1 11  19  16 o 194.848 4.6122  20604.99   973.351  21373.88   1108.49  18015.82   2034.14  198.396 5.1586  181.102 10.414  17.29330       11.62169  
1 1 1 11  19  17 o 171.841 3.5604  16015.71   662.665  15571.11   936.353  16461.81   937.948  169.305 5.1062  174.093 4.9742  -4.788666      7.128585  
1 1 1 11  19  18 o 146.556 3.2747  11649.44   519.815  12493.58   737.969  10818.16   732.323  151.671 4.4923  141.108 4.7916  10.56342       6.568095  
1 1 1 11  19  19 o 150.016 3.3180  12211.38   539.120  12162.78   760.969  12260.35   763.900  149.570 4.6974  150.169 4.6966  -0.5988464     6.642556  
1 1 1 11  19  20 o 123.015 3.0643  8213.58    408.275  8205.06    573.708  8222.32    581.140  122.816 4.3129  122.938 4.3644  -0.1225281     6.135858  
1 1 1 11  19  21 o 42.462  1.8372  977.484    84.495   814.756    233.194  1002.08    90.656   38.155  5.8277  42.990  1.9470  -4.834526      6.144305  
1 1 1 11  19  22 o 71.480  3.0399  2778.27    235.348  2583.36    330.060  2979.87    335.677  68.626  4.4648  73.773  4.2185  -5.147057      6.142525  
1 1 1 11  19  23 o 118.656 2.9980  7662.44    385.294  7329.04    538.625  8011.80    551.374  115.746 4.2965  121.042 4.2057  -5.296738      6.012289  
1 1 1 11  19  24 o 52.413  2.1379  1492.27    121.363  1518.14    301.790  1487.28    132.554  52.169  5.4201  52.309  2.3396  -0.1404190     5.903537  
1 1 1 11  19  25 o 96.252  3.2699  5061.13    340.890  5408.41    477.213  4699.29    487.122  99.135  4.4444  92.129  4.8993  7.006828       6.614841  
1 1 1 11  19  26 o 54.788  4.1320  1662.46    243.392  2161.48    333.762  1095.69    355.700  62.212  4.9954  43.074  7.9161  19.13859       9.360449  
1 1 1 11  19  27 o 22.428  8.3779  245.315    273.632  495.953    395.658  15.537     378.836  29.159  10.182  20.840  9.0457  8.319675       13.61966  
1 1 1 11  19  28 o 25.564  1.2988  355.695    35.842   363.715    36.095   -210.9137  303.377  25.884  1.2875  15.853  7.3610  10.03057       7.472767  
1 1 1 11  19  29 o 52.879  4.7641  1590.15    269.927  1684.32    375.527  1489.47    388.262  53.280  6.6524  49.521  7.4711  3.758244       10.00359  
1 1 1 11  19  30 o 36.874  6.4511  836.646    248.261  745.579    337.611  943.867    366.333  32.827  9.1519  37.041  9.1780  -4.214378      12.96123  
1 1 1 11  19  31 o 22.781  7.9053  338.526    238.327  404.833    319.054  254.824    358.470  24.452  9.0638  22.010  9.1394  2.441427       12.87171  
1 1 1 11  19  32 o 30.155  7.6160  626.357    248.807  578.563    331.759  687.794    376.138  27.442  9.3342  29.238  9.9389  -1.796911      13.63485  
1 1 1 11  19  33 o 20.852  8.6050  277.844    314.959  378.391    403.207  120.465    504.450  22.802  9.5962  20.645  9.5526  2.157040       13.54033  
1 1 1 11  20  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  20  1  o 298.172 6.6080  48193.82   2134.06  48253.94   2766.63  48105.51   3353.33  298.261 8.5642  297.688 10.400  0.5727234      13.47258  
1 1 1 11  20  2  o 264.036 5.4189  37779.78   1549.68  38494.61   1899.92  36358.92   2678.61  266.479 6.5826  258.839 9.5545  7.640228       11.60261  
1 1 1 11  20  3  o 613.686 15.657  205184.70  10407.10 205184.70  10407.10 0.0000     0.0000   613.686 15.657  ?       ?       0.000000       15.65718  
1 1 1 11  20  4  o 320.324 6.7770  55635.72   2351.23  54401.29   2881.11  58097.13   4068.35  316.646 8.4007  326.956 11.488  -10.31042      14.23218  
1 1 1 11  20  5  o 274.931 4.7639  40961.87   1418.60  39630.61   2005.90  42293.95   2006.52  270.330 6.8508  279.278 6.6334  -8.948029      9.536038  
1 1 1 11  20  6  o 180.507 3.7574  17653.40   734.597  16435.05   1098.35  18639.47   988.124  174.110 5.8243  185.449 4.9195  -11.33887      7.623909  
1 1 1 11  20  7  o 172.886 3.5094  16194.22   657.156  16407.83   930.771  15981.90   927.953  173.984 4.9393  171.709 4.9896  2.274673       7.020834  
1 1 1 11  20  8  o 477.467 7.8374  123783.50  4053.11  126337.50  5732.63  121230.70  5731.30  481.762 10.986  471.874 11.214  9.887817       15.69874  
1 1 1 11  20  9  o 123.059 2.9510  8204.51    393.320  8367.49    559.540  8045.31    552.994  124.249 4.1578  121.833 4.1907  2.416275       5.903347  
1 1 1 11  20  10 o 124.219 3.0001  8360.53    403.644  8066.81    573.215  8649.44    568.493  121.985 4.3385  126.318 4.1552  -4.333794      6.007345  
1 1 1 11  20  11 o 262.495 4.6655  37364.57   1326.45  38497.04   1877.56  36236.15   1874.20  266.275 6.5102  258.318 6.6987  7.956940       9.341047  
1 1 1 11  20  12 o 257.843 4.6291  36057.48   1292.76  37799.88   1829.78  34320.92   1826.71  263.820 6.4035  251.352 6.7099  12.46841       9.275152  
1 1 1 11  20  13 o 282.477 5.0264  43296.01   1537.85  44438.46   2175.60  42155.15   2174.09  285.916 7.0254  278.446 7.2089  7.470032       10.06598  
1 1 1 11  20  14 o 258.302 4.7156  36199.48   1319.28  35052.72   1865.34  37347.22   1866.15  253.926 6.7824  262.136 6.5728  -8.209625      9.444684  
1 1 1 11  20  15 o 73.901  2.9804  2960.05    238.564  2768.35    337.146  3152.29    337.616  71.300  4.3870  76.125  4.1100  -4.824669      6.011464  
1 1 1 11  20  16 o 256.691 5.3935  35790.82   1499.53  36746.82   1836.93  33881.27   2596.14  259.915 6.5251  248.931 9.6289  10.98409       11.63160  
1 1 1 11  20  17 o 35.519  5.5337  701.892    205.949  592.788    348.913  760.231    255.136  32.557  9.3819  36.814  6.6431  -4.257107      11.49569  
1 1 1 11  20  18 o 171.971 3.5549  16045.31   662.150  16874.90   936.081  15214.52   936.761  176.215 4.9046  167.289 5.1700  8.925980       7.126257  
1 1 1 11  20  19 o 98.545  2.9662  5267.52    316.593  5231.95    445.185  5303.90    450.320  98.133  4.1885  98.804  4.2080  -0.6709900     5.937230  
1 1 1 11  20  20 o 113.100 3.0409  6943.21    372.503  7064.52    528.910  6823.81    524.713  113.955 4.2853  111.992 4.3258  1.963036       6.088982  
1 1 1 11  20  21 o 59.887  3.1598  1954.14    204.231  1928.06    279.499  1984.03    299.153  59.318  4.3813  60.138  4.6283  -0.8194618     6.373207  
1 1 1 11  20  22 o 46.882  3.6814  1204.77    185.429  1097.02    258.931  1318.19    265.672  44.381  5.5048  48.795  5.1023  -4.414230      7.505724  
1 1 1 11  20  23 o 40.200  1.7667  876.717    76.924   646.354    226.327  906.803    81.793   33.628  6.4485  40.881  1.8472  -7.252682      6.707839  
1 1 1 11  20  24 o 114.551 3.1816  7155.49    394.746  7390.11    555.331  6915.86    561.227  116.043 4.4184  112.189 4.6187  3.853851       6.391757  
1 1 1 11  20  25 o 70.588  3.4363  2724.82    262.722  2945.73    365.413  2488.43    377.997  72.961  4.6483  66.829  5.2648  6.132095       7.023173  
1 1 1 11  20  26 o 45.449  4.7218  1155.51    229.042  1199.31    312.951  1104.99    336.118  45.684  6.5087  43.461  7.4059  2.223289       9.859580  
1 1 1 11  20  27 o 27.368  8.0578  449.049    254.924  148.233    334.938  863.249    393.023  21.784  8.9180  37.131  9.6752  -15.34698      13.15824  
1 1 1 11  20  28 o 27.596  8.6754  463.605    289.061  173.073    412.045  745.145    405.618  23.486  9.7792  34.039  10.199  -10.55350      14.12977  
1 1 1 11  20  29 o 23.514  7.6787  332.334    224.920  255.430    293.605  441.570    349.923  22.413  8.6083  26.841  9.5572  -4.428133      12.86246  
1 1 1 11  20  30 o 13.845  6.4039  -125.3950  226.426  -226.1105  302.592  2.7540     341.324  15.087  7.1152  18.597  8.3055  -3.510019      10.93647  
1 1 1 11  20  31 o 3.9066  1.9658  -115.3648  37.683   138.804    310.741  -119.1584  37.963   19.515  8.3271  3.8833  1.9565  15.63130       8.553848  
1 1 1 11  20  32 o 21.905  8.2763  319.553    268.617  641.296    397.507  49.156     364.411  28.002  10.159  18.754  8.4615  9.248047       13.22164  
1 1 1 11  20  33 o 20.146  8.5366  231.832    322.617  -68.1732   421.778  654.849    500.840  18.028  8.4707  26.406  10.869  -8.377605      13.77977  
1 1 1 11  21  0  o 309.500 6.0282  51917.21   2020.78  51917.21   2020.78  0.0000     0.0000   309.500 6.0282  ?       ?       0.000000       6.028219  
1 1 1 11  21  1  o 677.792 22.580  251695.80  16576.09 251695.80  16576.09 0.0000     0.0000   677.792 22.580  ?       ?       0.000000       22.57954  
1 1 1 11  21  2  o 374.380 7.2118  75998.91   2924.34  78546.84   3582.80  70913.56   5061.62  380.496 8.6936  361.138 12.940  19.35864       15.58950  
1 1 1 11  21  3  o 178.858 4.3378  17332.78   840.329  18008.75   1032.21  16004.26   1447.06  182.293 5.2279  171.775 7.7778  10.51761       9.371508  
1 1 1 11  21  4  o 299.429 5.3596  48593.34   1738.20  49513.30   2458.00  47673.10   2458.37  302.133 7.5112  296.457 7.6562  5.676788       10.72552  
1 1 1 11  21  5  o 580.817 11.360  183412.91  7146.47  182790.80  8751.37  184658.09  12381.54 579.253 13.949  580.500 19.693  -1.247681      24.13228  
1 1 1 11  21  6  o 239.836 4.4029  31171.33   1143.73  30959.96   1617.52  31382.67   1617.44  238.942 6.2501  240.570 6.2075  -1.627808      8.808911  
1 1 1 11  21  7  o 500.842 8.4652  136219.09  4592.06  138217.09  6494.55  134221.59  6493.77  503.825 11.901  496.449 12.077  7.375427       16.95562  
1 1 1 11  21  8  o 153.352 3.2506  12741.55   539.915  13284.36   765.602  12204.50   761.524  156.551 4.5152  150.048 4.6858  6.502914       6.507216  
1 1 1 11  21  9  o 150.227 3.1429  12227.90   511.384  12656.60   725.443  11804.44   720.990  152.802 4.3833  147.564 4.5111  5.237869       6.289948  
1 1 1 11  21  10 f 297.750 5.3122  48087.39   1713.14  48032.38   2423.45  48142.34   2422.05  297.342 7.5250  297.684 7.5120  -0.3417969     10.63280  
1 1 1 11  21  11 o 273.529 4.8479  40577.51   1436.25  41742.85   2032.65  39415.57   2029.69  277.236 6.7693  269.375 6.9567  7.860718       9.706628  
1 1 1 11  21  12 o 243.464 4.4267  32144.55   1167.31  32540.15   1652.08  31750.15   1649.57  244.792 6.2311  241.795 6.2987  2.996948       8.860053  
1 1 1 11  21  13 o 235.047 4.3490  29962.93   1107.18  30526.78   1566.60  29400.25   1564.96  237.080 6.1009  232.653 6.2105  4.427719       8.705803  
1 1 1 11  21  14 f 21.471  5.3598  260.121    124.257  568.337    186.599  14.564     166.555  31.887  5.6075  14.714  6.1787  17.17310       8.343919  
1 1 1 11  21  15 o 129.331 3.0463  9066.12    426.730  10004.13   604.049  8131.58    602.927  135.810 4.1065  122.420 4.5472  13.38976       6.126997  
1 1 1 11  21  16 o 100.895 3.4445  5519.76    376.411  5469.94    462.073  5618.04    648.982  100.405 4.2490  101.493 5.9295  -1.087135      7.294742  
1 1 1 11  21  17 o 149.540 3.8191  12131.69   618.569  11883.45   1076.21  12254.16   755.902  147.728 6.7262  150.229 4.6456  -2.501251      8.174524  
1 1 1 11  21  18 o 144.707 3.2693  11358.15   512.401  11629.78   727.229  11090.36   722.087  146.315 4.5889  142.874 4.6662  3.441055       6.544608  
1 1 1 11  21  19 f 262.159 4.7669  37379.51   1353.55  37264.48   1913.80  37494.64   1914.61  261.190 6.7651  262.001 6.7469  -0.8113708     9.554433  
1 1 1 11  21  20 o 209.227 4.0245  23805.43   912.011  23824.09   1290.71  23786.83   1288.84  208.874 5.7053  208.712 5.7014  0.1622314      8.065752  
1 1 1 11  21  21 o 54.806  3.3191  1638.81    196.095  1635.80    269.713  1642.19    285.610  54.569  4.6064  54.630  4.8782  -0.6085205E-01 6.709396  
1 1 1 11  21  22 o 95.749  2.9335  4984.51    304.220  5088.35    428.999  4879.46    431.476  96.560  4.1019  94.537  4.2139  2.022911       5.880736  
1 1 1 11  21  23 o 30.355  5.0315  518.996    159.630  556.363    212.778  470.889    241.428  31.127  6.5201  28.525  7.6547  2.602135       10.05517  
1 1 1 11  21  24 o 40.627  4.9996  922.388    215.357  998.501    308.490  850.033    300.777  41.693  7.0848  38.266  7.5253  3.427441       10.33559  
1 1 1 11  21  25 o 121.272 3.1963  8033.14    419.832  7872.98    589.271  8198.24    598.296  119.535 4.5515  121.989 4.5282  -2.454849      6.420301  
1 1 1 11  21  26 o 61.439  3.7960  2082.26    251.368  2182.56    340.054  1961.42    373.236  62.468  5.0697  58.852  5.9365  3.616692       7.806634  
1 1 1 11  21  27 o 31.809  6.5142  595.715    216.882  627.774    291.355  555.874    324.796  32.076  8.3168  30.150  9.1474  1.926044       12.36302  
1 1 1 11  21  28 o 28.578  8.1329  500.908    263.778  657.959    346.615  284.793    406.602  32.280  9.3651  25.091  9.9830  7.189430       13.68811  
1 1 1 11  21  29 o 28.583  2.4153  450.635    74.074   831.183    340.892  431.776    75.887   35.875  8.8322  27.949  2.5345  7.926058       9.188695  
1 1 1 11  21  30 o 28.726  1.8488  453.111    57.216   487.546    318.091  451.959    58.164   26.708  9.1396  28.682  1.8828  -1.973619      9.331523  
1 1 1 11  21  31 o 17.796  7.3861  123.727    233.964  108.703    314.304  142.398    350.378  19.101  8.2652  20.186  8.7306  -1.084963      12.02238  
1 1 1 11  21  32 o ?       ?       -415.7386  32.341   572.428    381.619  -422.8870  32.458   26.794  9.9166  ?       ?       0.000000       9.916555  
1 1 1 11  21  33 o 19.776  8.6650  183.200    354.688  234.277    421.403  59.095     656.866  21.028  9.3193  21.405  10.207  -0.3772545     13.82141  
1 1 1 11  22  0  o 636.616 17.585  221060.91  12125.42 221060.91  12125.42 0.0000     0.0000   636.616 17.585  ?       ?       0.000000       17.58526  
1 1 1 11  22  1  o 485.215 11.816  127926.40  6209.98  127926.40  6209.98  0.0000     0.0000   485.215 11.816  ?       ?       0.000000       11.81643  
1 1 1 11  22  2  o 226.375 4.2831  27764.95   1050.16  26557.18   1236.83  30884.88   1987.89  221.373 5.1584  238.632 7.6912  -17.25905      9.260849  
1 1 1 11  22  3  o 359.943 7.3291  70264.42   2857.28  67584.34   3497.03  75646.80   4955.79  352.869 9.1499  372.989 12.267  -20.12012      15.30377  
1 1 1 11  22  4  o 61.985  2.7169  2081.16    182.403  2285.32    257.034  1874.04    258.890  64.844  3.6748  58.669  4.1000  6.175877       5.505818  
1 1 1 11  22  5  o 108.261 2.7220  6348.75    319.182  6448.75    451.130  6248.52    451.652  109.098 3.8178  107.390 3.8830  1.707932       5.445507  
1 1 1 11  22  6  o 311.997 5.2769  52767.65   1783.18  52767.29   2521.91  52768.02   2521.70  311.842 7.4666  311.845 7.4659  -0.2227783E-02 10.55891  
1 1 1 11  22  7  o 622.382 10.209  210651.41  6882.01  215961.80  9733.23  205342.30  9732.03  628.926 14.289  613.139 14.655  15.78711       20.46754  
1 1 1 11  22  8  o 175.506 3.5873  16690.83   681.906  16675.17   965.605  16706.41   963.122  175.372 5.0836  175.536 5.0658  -0.1648865     7.176681  
1 1 1 11  22  9  o 66.855  2.6998  2421.46    195.495  2652.56    281.064  2204.87    272.098  69.862  3.7279  63.658  3.9661  6.203232       5.443103  
1 1 1 11  22  10 o 135.877 3.1346  10004.11   461.322  9682.55    656.629  10317.54   648.268  133.635 4.5366  137.954 4.3386  -4.319336      6.277290  
1 1 1 11  22  11 o 208.811 4.0054  23636.94   905.864  23365.06   1283.77  23906.55   1278.42  207.496 5.7123  209.893 5.6235  -2.397324      8.015806  
1 1 1 11  22  12 o 68.765  2.7582  2562.18    205.427  2312.91    293.154  2802.68    287.950  65.178  4.1746  71.808  3.7150  -6.629692      5.588238  
1 1 1 11  22  13 o 81.660  2.7485  3613.37    243.090  4048.22    345.430  3186.73    342.155  86.413  3.6907  76.547  4.1423  9.866142       5.547976  
1 1 1 11  22  14 o 295.810 5.5553  47513.16   1779.89  48261.14   2346.40  46499.45   2731.57  297.849 7.2733  292.093 8.6342  5.756256       11.28940  
1 1 1 11  22  15 o 256.087 4.6265  35586.68   1283.24  36590.30   1815.98  34585.72   1813.57  259.426 6.4629  252.192 6.6395  7.233658       9.265604  
1 1 1 11  22  16 o 95.053  3.3593  4898.88    345.850  5032.40    423.616  4631.97    598.924  96.312  4.0609  92.107  6.0369  4.205048       7.275653  
1 1 1 11  22  17 o 179.852 4.2148  17555.81   821.033  17761.36   1427.05  17454.10   1003.81  180.508 7.2992  179.231 5.1709  1.276474       8.945182  
1 1 1 11  22  18 o 229.386 4.4257  28579.82   1099.56  28834.84   1463.37  28249.14   1666.36  230.149 5.8705  227.607 6.7595  2.541718       8.952839  
1 1 1 11  22  19 o 157.594 3.4420  13481.02   587.522  14104.01   806.467  12776.44   857.656  161.044 4.6235  153.198 5.1688  7.846161       6.934922  
1 1 1 11  22  20 o 111.974 3.0179  6806.45    366.014  7185.65    515.419  6420.71    519.854  114.929 4.1406  108.605 4.4194  6.323570       6.056009  
1 1 1 11  22  21 o 173.133 3.5598  16306.69   667.542  16160.63   944.813  16452.27   943.282  171.956 5.0729  173.517 5.0191  -1.561371      7.136282  
1 1 1 11  22  22 o 103.881 2.8334  5866.03    318.792  5982.70    458.089  5756.46    443.923  104.706 4.0393  102.717 3.9902  1.989403       5.677844  
1 1 1 11  22  23 o 87.433  3.0606  4162.09    289.833  4486.52    418.083  3861.90    402.154  90.550  4.2629  83.860  4.4434  6.689850       6.157640  
1 1 1 11  22  24 o 53.231  4.0554  1561.28    232.055  1809.90    330.091  1318.34    326.293  56.975  5.4142  48.253  6.4013  8.721554       8.383902  
1 1 1 11  22  25 o 60.345  3.6808  2002.02    239.424  1941.55    328.448  2070.60    349.749  58.988  5.1938  60.873  5.3593  -1.885700      7.463137  
1 1 1 11  22  26 o 58.985  3.7704  1919.92    239.619  1699.69    327.831  2172.53    351.111  54.867  5.5949  62.233  5.2582  -7.365841      7.677983  
1 1 1 11  22  27 o 87.171  3.4501  4178.35    325.742  4455.45    462.357  3905.26    458.999  89.269  4.7996  83.386  5.1067  5.882301       7.008203  
1 1 1 11  22  28 o 67.364  4.8062  2554.78    348.366  2690.05    471.964  2392.86    516.352  68.102  6.4764  63.368  7.6801  4.733959       10.04628  
1 1 1 11  22  29 o 28.157  8.2811  504.141    269.380  872.071    355.501  8.0221     412.811  36.570  9.0293  20.778  9.2154  15.79189       12.90161  
1 1 1 11  22  30 o 18.190  7.5528  120.320    244.790  399.548    349.312  -149.1259  343.140  24.846  9.4258  16.857  7.8276  7.988249       12.25222  
1 1 1 11  22  31 o 18.196  7.4636  143.522    235.167  347.340    313.533  -118.6201  355.574  23.179  8.8973  17.177  7.9734  6.001680       11.94722  
1 1 1 11  22  32 o 5.5238  2.5662  -31.0317   36.954   -7.2051    377.599  -31.2621   37.132   18.325  8.4009  5.5343  2.5715  12.79026       8.785631  
1 1 1 11  22  33 o 23.930  9.4476  451.407    361.551  673.449    519.084  242.185    503.876  26.565  11.012  21.719  9.8598  4.846321       14.78077  
1 1 1 11  23  0  o 411.606 7.1484  91864.23   3186.84  94025.85   3678.61  85361.90   6380.11  416.342 8.1576  395.948 14.877  20.39365       16.96691  
1 1 1 11  23  1  o 479.755 8.1345  124853.90  4226.88  124840.00  4879.46  124895.80  8460.66  479.595 9.3935  478.631 16.320  0.9634705      18.83070  
1 1 1 11  23  2  o 407.756 11.330  90346.87   5003.82  84605.77   9077.26  92852.98   5997.32  392.315 21.444  413.094 13.404  -20.77890      25.28831  
1 1 1 11  23  3  o 733.572 17.169  293839.09  13641.76 299418.31  19292.87 288260.41  19291.85 737.543 24.151  723.442 24.621  14.10168       34.48855  
1 1 1 11  23  4  o 550.092 15.307  165036.50  9119.90  159997.80  16795.51 167143.41  10860.46 536.022 29.038  552.806 18.139  -16.78375      34.23746  
1 1 1 11  23  5  o 519.442 10.173  146621.91  5723.55  147874.91  7008.58  144113.00  9917.20  521.221 12.415  513.163 17.843  8.058533       21.73688  
1 1 1 11  23  6  o 171.243 3.3873  15887.33   628.252  15994.33   888.452  15780.31   888.514  171.783 4.7751  170.629 4.8077  1.154160       6.776138  
1 1 1 11  23  7  o 181.074 3.5322  17765.62   692.739  18176.93   981.073  17356.63   978.294  183.113 4.9467  178.930 5.0480  4.183243       7.067637  
1 1 1 11  23  8  o 577.211 9.6049  181218.59  6004.80  180227.20  8492.48  182209.80  8491.65  574.357 13.652  577.535 13.575  -3.178772      19.25225  
1 1 1 11  23  9  o 302.105 5.3389  49501.06   1746.94  50669.12   2471.55  48334.88   2469.56  305.427 7.4712  298.288 7.6439  7.138855       10.68867  
1 1 1 11  23  10 o 312.521 5.5594  52988.93   1881.82  53350.55   2662.25  52627.82   2660.35  313.305 7.8453  311.169 7.8935  2.136261       11.12910  
1 1 1 11  23  11 f 212.469 4.0066  24472.99   922.026  25417.27   1305.55  23533.36   1302.34  216.423 5.5696  208.232 5.7744  8.190781       8.022698  
1 1 1 11  23  12 o 164.587 3.3989  14682.23   605.898  15247.67   857.999  14119.75   855.745  167.661 4.7248  161.331 4.8973  6.329987       6.804949  
1 1 1 11  23  13 o 285.470 5.1369  44225.09   1588.30  43232.70   2247.03  45216.01   2245.35  281.939 7.3584  288.362 7.1891  -6.422546      10.28735  
1 1 1 11  23  14 f 375.105 6.4278  76471.02   2611.49  78329.21   3693.80  74614.05   3692.60  378.987 8.9987  369.826 9.2186  9.160583       12.88249  
1 1 1 11  23  15 o 76.699  2.4673  3187.69    204.970  3440.53    326.378  3023.03    263.390  79.652  3.7832  74.676  3.2565  4.975853       4.991687  
1 1 1 11  23  16 o 205.758 4.5834  22980.19   1021.45  22968.63   1250.12  23003.40   1771.72  205.588 5.6142  205.385 7.9645  0.2028656      9.744304  
1 1 1 11  23  17 o 100.353 3.2287  5461.01    350.935  5877.48    642.267  5283.75    419.015  103.807 5.7347  98.680  3.9204  5.126022       6.946637  
1 1 1 11  23  18 o 173.895 3.5828  16408.96   674.813  16935.23   953.860  15881.65   954.799  176.496 4.9898  170.895 5.1584  5.600952       7.176795  
1 1 1 11  23  19 o 148.807 3.3147  12018.54   534.246  12405.24   754.519  11629.74   756.561  151.026 4.6126  146.206 4.7776  4.819534       6.640898  
1 1 1 11  23  20 o 248.975 4.7340  33776.07   1276.59  34474.97   1692.28  32853.15   1944.66  250.980 6.2254  244.503 7.3433  6.476837       9.626977  
1 1 1 11  23  21 o 191.196 3.7859  19901.95   784.013  19737.60   1109.35  20065.95   1108.18  189.890 5.3938  191.482 5.3433  -1.591980      7.592398  
1 1 1 11  23  22 o 86.911  2.6924  4104.83    253.445  4242.14    383.004  3997.86    338.043  88.167  4.0108  85.648  3.6441  2.518936       5.418993  
1 1 1 11  23  23 o 46.005  3.9423  1164.77    194.538  1402.45    284.201  955.227    266.853  50.213  5.3060  41.118  6.1834  9.095318       8.147920  
1 1 1 11  23  24 o 93.842  3.1955  4804.60    324.794  5077.88    460.153  4533.27    458.508  96.151  4.4185  90.655  4.6857  5.496094       6.440404  
1 1 1 11  23  25 o 98.346  3.1930  5284.10    340.121  5160.45    474.657  5414.58    487.611  96.762  4.5290  99.110  4.5424  -2.348831      6.414477  
1 1 1 11  23  26 o 39.667  4.9717  887.215    208.906  700.600    283.802  1107.92    308.635  34.242  7.8234  43.744  6.7298  -9.502075      10.31970  
1 1 1 11  23  27 f 19.923  7.1400  203.676    195.605  214.332    262.485  190.368    293.331  21.479  8.1655  21.604  8.5159  -0.1243114     11.79808  
1 1 1 11  23  28 o 19.379  7.4650  166.121    221.243  206.841    309.811  123.744    316.051  22.058  8.7338  20.713  8.5896  1.345543       12.24986  
1 1 1 11  23  29 o 18.345  7.4262  124.356    229.124  333.073    280.636  -292.9149  396.803  23.800  8.5499  17.336  8.1673  6.464527       11.82390  
1 1 1 11  23  30 o 6.8171  2.9850  -8.0917    42.033   214.952    370.280  -11.0033   42.306   21.879  9.2013  6.7303  2.9693  15.14862       9.668502  
1 1 1 11  23  31 o 19.192  7.6072  192.598    235.278  163.762    313.303  229.890    356.293  19.873  8.4164  21.479  9.0290  -1.605433      12.34334  
1 1 1 11  23  32 o 19.353  8.5118  127.564    345.147  345.035    494.594  -78.8687   481.878  23.403  10.244  19.258  9.0501  4.145058       13.66872  
1 1 1 11  23  33 o 21.440  9.0183  298.097    355.810  105.638    421.864  772.420    662.278  19.669  8.9650  26.962  11.826  -7.293091      14.84019  
1 1 1 11  24  0  o 662.541 12.982  238751.20  9316.09  238478.59  11408.35 239296.80  16140.17 661.442 15.924  660.422 22.564  1.020569       27.61736  
1 1 1 11  24  1  o 284.732 5.3960  43938.63   1664.08  43843.91   1968.56  44175.76   3114.80  284.380 6.3912  285.225 10.083  -0.8446045     11.93757  
1 1 1 11  24  2  o 303.363 8.7607  49944.57   2878.53  48929.63   5096.73  50419.94   3488.10  299.145 15.786  304.656 10.571  -5.511230      18.99866  
1 1 1 11  24  3  o 107.471 4.0131  6257.84    467.135  6128.00    639.713  6406.16    683.739  106.180 5.5821  108.551 5.8369  -2.371651      8.076485  
1 1 1 11  24  4  o 59.603  4.3126  1935.07    276.526  2008.94    386.804  1857.85    395.474  60.579  5.9729  58.186  6.3798  2.393017       8.739420  
1 1 1 11  24  5  o 99.074  2.9121  5317.29    312.496  5519.30    441.129  5113.79    442.747  100.925 4.0355  97.145  4.2079  3.780678       5.830236  
1 1 1 11  24  6  o 188.213 3.9539  19195.58   806.021  18989.88   1139.53  19401.54   1140.24  187.145 5.6218  189.164 5.5653  -2.019806      7.910593  
1 1 1 11  24  7  o 290.707 5.0968  45818.43   1604.80  45884.46   2270.30  45752.49   2268.77  290.753 7.2092  290.334 7.2148  0.4189148      10.19932  
1 1 1 11  24  8  o 281.220 4.9536  42880.01   1508.83  43464.37   2134.78  42296.72   2132.83  282.964 6.9655  279.129 7.0548  3.835266       9.914016  
1 1 1 11  24  9  o 188.914 3.6897  19341.38   754.954  19214.49   1069.10  19467.60   1066.23  188.222 5.2442  189.460 5.1959  -1.238220      7.382376  
1 1 1 11  24  10 o 255.967 4.6438  35527.78   1287.45  35494.59   1821.98  35560.88   1819.47  255.682 6.5792  255.923 6.5640  -0.2401276     9.293624  
1 1 1 11  24  11 o 239.605 4.3637  31130.61   1132.46  32416.27   1603.21  29850.27   1599.89  244.358 6.0575  234.464 6.3000  9.894333       8.739767  
1 1 1 11  24  12 o 28.849  4.0383  460.023    122.724  557.882    175.967  367.347    171.244  31.633  5.3251  25.503  6.2485  6.130005       8.209735  
1 1 1 11  24  13 o 130.914 3.0623  9288.39    434.221  9594.71    615.150  8984.19    613.019  133.008 4.2700  128.701 4.3977  4.306946       6.129654  
1 1 1 11  24  14 o 45.336  3.2611  1119.88    159.063  1042.39    231.683  1188.96    218.770  43.540  5.0038  46.612  4.3849  -3.071186      6.653190  
1 1 1 11  24  15 o 67.168  2.8983  2445.24    210.852  2829.69    298.085  2060.26    298.294  72.132  3.8291  61.454  4.5131  10.67841       5.918601  
1 1 1 11  24  16 o 181.168 3.6451  17801.32   715.260  17299.38   1008.64  18309.05   1014.45  178.456 5.2184  183.602 5.1013  -5.146332      7.297587  
1 1 1 11  24  17 o 84.694  3.4601  3890.59    317.398  3795.23    579.021  3931.55    379.494  83.241  6.4732  85.111  4.1167  -1.870132      7.671320  
1 1 1 11  24  18 o 177.070 3.6231  17015.61   694.861  17603.22   981.598  16425.40   983.769  179.925 5.0370  173.775 5.2268  6.150635       7.258838  
1 1 1 11  24  19 o 36.751  4.7475  746.928    184.556  932.878    256.166  546.240    266.123  40.935  5.9521  30.970  7.9064  9.964735       9.896385  
1 1 1 11  24  20 o 148.233 3.3043  11936.27   530.502  12405.79   748.622  11462.66   751.876  150.906 4.5802  145.017 4.7869  5.889069       6.625185  
1 1 1 11  24  21 o 52.292  3.4136  1493.69    192.275  1588.32    266.096  1390.29    278.141  53.745  4.6160  50.150  5.1960  3.595165       6.950242  
1 1 1 11  24  22 o 34.007  4.5660  643.653    163.932  547.617    224.757  752.816    239.627  30.857  6.8982  36.440  6.2992  -5.582962      9.341599  
1 1 1 11  24  23 f 156.546 3.4183  13363.73   579.585  13202.00   815.764  13528.58   823.607  155.051 4.8576  156.963 4.8445  -1.911835      6.860422  
1 1 1 11  24  24 f 50.638  2.7125  1400.13    148.231  2102.76    337.687  1232.43    164.975  61.520  5.1142  47.414  3.2317  14.10583       6.049764  
1 1 1 11  24  25 f 32.063  1.4812  557.821    51.439   339.728    294.033  564.707    52.245   25.186  8.7784  32.260  1.4952  -7.073439      8.904832  
1 1 1 11  24  26 o 29.379  1.5124  469.820    47.962   450.257    264.357  470.486    48.771   27.544  8.2292  29.397  1.5371  -1.852678      8.371568  
1 1 1 11  24  27 o 14.528  2.5293  118.529    38.352   147.779    249.083  117.819    38.815   19.744  7.8269  14.476  2.5697  5.268594       8.237919  
1 1 1 11  24  28 o 39.065  5.2748  875.959    217.477  895.654    280.582  846.323    344.192  38.757  6.9388  36.727  8.7731  2.030930       11.18539  
1 1 1 11  24  29 o 29.789  7.6421  560.930    247.774  742.674    308.979  233.499    414.724  33.880  8.4489  23.592  9.8162  10.28750       12.95150  
1 1 1 11  24  30 f 14.034  6.7672  -351.8087  307.286  -226.0932  427.629  -486.0287  441.856  17.991  8.4767  16.416  7.9636  1.574913       11.63074  
1 1 1 11  24  31 o 35.164  2.6458  689.735    100.028  1269.64    344.534  636.355    104.530  43.960  7.5056  33.671  2.8944  10.28830       8.044347  
1 1 1 11  24  32 o 35.568  9.5476  979.919    375.523  1206.34    448.752  450.933    685.907  38.290  10.504  25.073  11.429  13.21712       15.52295  
1 1 1 11  24  33 o 31.184  9.9135  821.515    376.579  979.812    445.486  425.223    704.865  32.749  10.812  24.083  11.195  8.665558       15.56364  
1 1 1 11  25  0  o 403.987 6.9870  88501.20   3057.23  90570.72   3528.88  82274.26   6121.25  408.602 7.9738  388.662 14.541  19.93958       16.58389  
1 1 1 11  25  1  o 195.314 4.9955  20673.21   1056.78  20338.87   1232.40  21601.99   2054.06  193.703 5.8742  199.472 9.5074  -5.769714      11.17568  
1 1 1 11  25  2  o 231.767 6.9310  29130.53   1739.87  28493.71   2970.61  29463.05   2146.57  228.586 12.041  233.005 8.5057  -4.418243      14.74214  
1 1 1 11  25  3  o 536.860 14.048  157030.00  8168.53  129282.30  15008.44 168709.09  9737.02  481.667 28.902  555.924 16.171  -74.25632      33.11861  
1 1 1 11  25  4  o 304.876 7.5895  50432.54   2506.14  50736.54   3544.27  50128.56   3544.17  305.507 10.711  303.664 10.776  1.842926       15.19369  
1 1 1 11  25  5  o 282.330 8.2543  43273.30   2524.10  42875.23   4433.31  43464.22   3070.32  279.912 14.674  282.787 10.024  -2.874908      17.77119  
1 1 1 11  25  6  o 165.297 3.6203  14804.62   648.164  14254.73   963.143  15259.79   876.285  162.143 5.4843  167.784 4.8220  -5.641769      7.302688  
1 1 1 11  25  7  o 349.098 5.8337  66099.77   2205.79  68437.08   3120.24  63764.80   3118.67  354.962 8.1159  342.594 8.4047  12.36774       11.68357  
1 1 1 11  25  8  o 313.676 5.3906  53362.91   1831.43  52462.04   2589.26  54264.84   2590.80  310.780 7.6922  316.090 7.5675  -5.309906      10.79061  
1 1 1 11  25  9  o 110.922 2.7582  6665.84    331.373  7028.85    471.710  6312.16    465.614  113.880 3.8244  107.914 3.9836  5.965553       5.522226  
1 1 1 11  25  10 o 348.313 5.9747  65845.64   2254.01  67077.30   3188.75  64615.68   3186.54  351.185 8.3833  344.654 8.5362  6.531311       11.96439  
1 1 1 11  25  11 o 160.154 3.3034  13900.82   573.016  14388.67   812.888  13418.98   807.870  162.883 4.6077  157.292 4.7420  5.591034       6.611950  
1 1 1 11  25  12 o 196.587 3.8282  20951.99   815.109  20791.95   1153.41  21111.66   1152.07  195.725 5.4408  197.228 5.3931  -1.502884      7.660851  
1 1 1 11  25  13 o 334.657 5.8426  60819.21   2117.75  59980.00   2995.46  61657.85   2994.45  331.867 8.3335  336.503 8.2160  -4.636108      11.70257  
1 1 1 11  25  14 o 315.788 5.5324  54151.19   1892.25  55540.56   2677.04  52763.89   2675.04  319.400 7.7384  311.272 7.9345  8.128510       11.08328  
1 1 1 11  25  15 o 83.857  2.8365  3811.26    257.627  3592.28    366.977  4024.04    361.757  81.268  4.1834  86.137  3.8776  -4.869209      5.704044  
1 1 1 11  25  16 o 67.788  2.4711  2490.26    181.432  2293.50    309.949  2592.82    223.777  64.853  4.4392  69.158  2.9874  -4.305153      5.350865  
1 1 1 11  25  17 o 63.007  3.7326  2161.41    253.586  2081.53    421.952  2206.57    317.276  61.497  6.4299  63.572  4.6399  -2.075047      7.929236  
1 1 1 11  25  18 o 161.272 3.4215  14112.44   597.649  13969.42   843.552  14256.59   846.864  160.295 4.8587  161.938 4.8283  -1.643173      6.849802  
1 1 1 11  25  19 o 229.646 4.2838  28674.36   1065.51  29007.93   1505.73  28339.78   1507.99  230.526 6.0306  227.832 6.1110  2.694504       8.585589  
1 1 1 11  25  20 o 148.550 3.3015  11988.56   531.190  11939.56   749.292  12038.08   753.157  148.010 4.6740  148.618 4.6789  -0.6083679     6.613497  
1 1 1 11  25  21 o 140.430 3.2352  10723.83   492.075  10707.19   676.253  10742.55   717.364  140.063 4.4578  140.227 4.7232  -0.1642761     6.494640  
1 1 1 11  25  22 o 76.711  2.9599  3200.86    245.927  3321.40    342.995  3073.33    352.800  77.885  4.0802  74.850  4.3708  3.034706       5.979253  
1 1 1 11  25  23 o 120.089 3.1318  7856.48    407.346  7980.75    577.045  7733.04    575.107  120.682 4.4147  118.776 4.4704  1.905396       6.282836  
1 1 1 11  25  24 o 128.822 3.2599  9058.61    454.845  9445.65    645.078  8675.92    641.432  131.058 4.5444  125.530 4.7177  5.527725       6.550484  
1 1 1 11  25  25 o 98.727  3.1910  5327.14    341.215  5434.23    482.797  5220.26    482.306  99.271  4.4903  97.262  4.5783  2.008545       6.412781  
1 1 1 11  25  26 o 60.061  3.8065  1992.66    246.344  1731.09    343.425  2269.90    353.562  55.230  5.8290  63.607  5.1770  -8.376316      7.796047  
1 1 1 11  25  27 o 40.316  4.8080  919.166    205.807  967.019    269.729  852.485    318.397  40.775  6.3114  37.456  8.0853  3.318966       10.25699  
1 1 1 11  25  28 o 24.928  6.9181  374.226    193.378  558.063    248.718  93.234     307.494  30.162  7.6128  19.957  8.3886  10.20461       11.32802  
1 1 1 11  25  29 o 25.581  1.4260  357.110    39.354   79.658     245.222  364.444    39.870   17.801  7.4873  25.843  1.4300  -8.041454      7.622607  
1 1 1 11  25  30 o 24.556  8.7124  399.392    290.546  349.861    375.006  473.775    459.555  23.989  9.5739  26.409  10.578  -2.419508      14.26706  
1 1 1 11  25  31 o 23.452  8.3717  370.567    268.657  481.697    403.934  282.410    359.767  25.752  10.040  22.262  9.1926  3.490662       13.61265  
1 1 1 11  25  32 o 22.723  9.5244  339.362    394.587  152.846    497.276  656.448    648.380  21.374  9.7386  26.804  11.730  -5.429695      15.24611  
1 1 1 11  25  33 o 19.486  8.5783  161.583    351.289  357.018    408.973  -388.3529  686.041  22.542  9.5843  19.383  9.5138  3.158710       13.50446  
1 1 1 11  26  0  o 242.889 5.1554  31973.02   1356.25  32180.99   1485.65  30932.78   3322.65  243.660 5.6294  238.085 12.933  5.575745       14.10550  
1 1 1 11  26  1  o 185.411 5.2004  18631.78   1044.34  21209.73   1477.65  16058.88   1476.19  197.764 6.8985  172.045 7.9219  25.71918       10.50457  
1 1 1 11  26  2  o 178.257 5.6827  17225.03   1097.17  17491.93   1779.87  17061.46   1393.39  179.257 9.1983  177.354 7.2537  1.902878       11.71428  
1 1 1 11  26  3  o 617.013 14.503  207562.91  9691.90  212753.30  13707.03 202373.41  13705.81 622.672 20.324  607.087 20.844  15.58514       29.11271  
1 1 1 11  26  4  f 658.636 15.467  236864.59  11033.53 241134.70  15604.47 232595.20  15603.07 661.896 21.767  649.876 22.167  12.01996       31.06708  
1 1 1 11  26  5  o 173.388 5.0059  16296.40   940.092  16925.36   1329.25  15666.98   1329.73  176.625 6.9484  169.920 7.2252  6.705307       10.02415  
1 1 1 11  26  6  o 409.779 7.8996  91175.09   3506.11  89586.55   6078.08  91967.28   4292.21  405.095 13.853  411.293 9.6352  -6.197571      16.87418  
1 1 1 11  26  7  o 141.693 3.2130  10877.95   493.099  11413.86   698.934  10346.88   695.771  145.109 4.4470  138.154 4.6498  6.954880       6.434018  
1 1 1 11  26  8  o 275.501 4.9595  41156.94   1479.89  41308.14   2093.84  41006.02   2091.92  275.831 7.0086  274.818 7.0280  1.012482       9.925342  
1 1 1 11  26  9  o 329.019 5.7768  58736.14   2058.64  59274.46   2912.27  58198.49   2910.45  330.215 8.1426  327.194 8.2127  3.021423       11.56507  
1 1 1 11  26  10 o 100.489 2.8524  5471.39    310.453  5006.33    442.680  5921.49    435.503  96.093  4.2533  104.519 3.8470  -8.425308      5.735020  
1 1 1 11  26  11 o 48.729  2.8527  1291.06    149.905  1299.66    220.165  1283.62    204.677  48.778  4.2085  48.501  3.9301  0.2773323      5.758228  
1 1 1 11  26  12 o 343.693 6.4150  64170.02   2388.00  64349.29   3138.14  63923.41   3680.66  343.785 8.4278  342.291 9.9280  1.494263       13.02277  
1 1 1 11  26  13 o 297.264 5.2445  47963.17   1688.55  47840.02   2388.56  48086.20   2387.39  296.544 7.4366  297.310 7.4138  -0.7661438     10.50090  
1 1 1 11  26  14 o 60.110  2.9445  1958.24    191.705  1814.53    270.425  2103.43    271.805  57.672  4.3615  62.144  4.0605  -4.472725      5.959059  
1 1 1 11  26  15 o 187.257 3.7009  19015.88   750.609  20022.20   1065.13  18023.09   1057.94  192.026 5.1212  182.165 5.3620  9.861633       7.414731  
1 1 1 11  26  16 o 270.997 4.9122  39882.45   1441.82  37766.73   2038.47  42000.52   2039.61  263.301 7.1480  277.750 6.7799  -14.44858      9.851922  
1 1 1 11  26  17 o 128.098 4.4097  8910.23    611.819  10071.82   863.920  7741.51    866.572  136.051 5.8627  118.999 6.7512  17.05244       8.941528  
1 1 1 11  26  18 o 223.854 4.2346  27221.41   1026.72  26721.25   1451.01  27722.94   1453.00  221.433 6.0500  225.569 5.9472  -4.136032      8.483656  
1 1 1 11  26  19 o 119.246 3.0733  7717.23    396.933  7737.63    554.448  7695.77    568.513  119.282 4.2916  118.944 4.4129  0.3374252      6.155619  
1 1 1 11  26  20 o 187.382 3.7518  19096.76   761.446  19738.89   1077.76  18456.80   1075.94  190.122 5.2338  183.793 5.4049  6.328720       7.523684  
1 1 1 11  26  21 o 46.832  3.7304  1201.97    187.650  1379.06    267.577  1030.59    263.231  49.964  5.0121  42.955  5.8067  7.008560       7.670655  
1 1 1 11  26  22 o 47.726  3.8416  1250.73    196.900  1285.16    293.740  1222.64    265.337  47.979  5.7681  46.888  5.3189  1.091713       7.846130  
1 1 1 11  26  23 o 10.802  5.1686  -232.9863  171.492  -211.7995  236.151  -256.6260  249.446  13.808  6.4390  13.811  6.4970  -0.2199173E-02 9.147238  
1 1 1 11  26  24 o 23.440  6.9701  313.590    189.983  439.770    261.006  171.403    277.066  27.541  8.1652  21.277  8.3096  6.264086       11.64989  
1 1 1 11  26  25 o 89.382  3.1832  4366.93    308.167  4169.17    430.992  4573.80    440.800  86.784  4.6017  91.066  4.4690  -4.282486      6.414632  
1 1 1 11  26  26 o 49.030  4.4275  1340.69    232.580  1186.59    307.897  1545.46    354.930  45.370  6.4470  51.872  6.4571  -6.502056      9.124591  
1 1 1 11  26  27 o 33.797  5.9536  664.698    209.973  602.178    287.150  736.542    307.821  31.331  8.3214  34.663  8.3075  -3.331858      11.75844  
1 1 1 11  26  28 o 82.304  3.3714  3737.60    300.545  4108.87    418.533  3342.33    431.849  85.552  4.5330  76.687  5.2305  8.865204       6.921382  
1 1 1 11  26  29 o 17.562  7.1439  110.860    213.213  142.224    284.822  70.880     321.570  19.792  8.1766  19.425  8.3828  0.3670902      11.71020  
1 1 1 11  26  30 o 27.402  8.7751  518.586    294.644  422.443    378.622  666.210    469.166  25.270  9.7568  29.500  10.980  -4.229576      14.68861  
1 1 1 11  26  31 o 26.199  9.4337  501.726    341.843  461.627    408.800  594.956    623.337  25.392  10.039  27.393  11.744  -2.001116      15.45023  
1 1 1 11  26  32 o 20.657  8.7583  230.440    339.893  437.639    402.362  -285.8025  635.113  24.178  9.8221  19.756  9.5753  4.421999       13.71713  
1 1 1 11  26  33 o 28.706  9.7637  694.734    362.995  733.404    424.445  589.432    700.413  28.464  10.472  25.285  11.535  3.178265       15.57935  
1 1 1 11  27  0  o 251.436 4.5376  34258.07   1235.72  33485.70   1424.61  36605.10   2483.38  248.559 5.2917  259.685 8.8293  -11.12694      10.29363  
1 1 1 11  27  1  o 697.117 16.301  265312.41  12308.31 248907.00  17405.86 281720.59  17407.31 672.117 23.910  715.774 22.454  -43.65656      32.80021  
1 1 1 11  27  2  o 276.200 8.2308  41402.02   2462.28  43301.25   4318.67  40487.29   2997.14  281.514 14.210  272.980 10.137  8.533783       17.45488  
1 1 1 11  27  3  o 386.273 9.3351  81039.88   3905.56  78033.52   5522.90  84047.10   5523.69  378.443 13.474  392.840 12.982  -14.39691      18.71051  
1 1 1 11  27  4  o 494.888 11.672  133289.20  6256.54  144350.20  8849.54  122235.50  8846.63  513.934 15.898  472.540 17.285  41.39410       23.48442  
1 1 1 11  27  5  o 314.808 7.7895  53799.48   2656.00  55970.52   3757.00  51630.40   3755.30  320.740 10.815  307.994 11.257  12.74591       15.61043  
1 1 1 11  27  6  o 100.474 3.1706  5469.36    345.033  5919.16    616.269  5263.99    416.416  104.335 5.4725  98.558  3.9009  5.777000       6.720526  
1 1 1 11  27  7  o 173.422 3.6204  16297.70   680.037  16359.01   961.875  16236.44   961.561  173.693 5.1129  173.040 5.1305  0.6526642      7.243186  
1 1 1 11  27  8  o 52.838  2.7211  1516.54    155.198  1652.59    225.642  1394.40    213.803  55.089  3.8050  50.569  3.9345  4.519581       5.473436  
1 1 1 11  27  9  o 123.637 3.0560  8282.70    409.231  8064.17    581.929  8496.50    575.603  121.959 4.4054  125.191 4.2450  -3.231575      6.117816  
1 1 1 11  27  10 o 387.026 6.7338  81356.81   2822.74  79698.55   3992.70  83013.84   3991.20  382.475 9.6381  390.397 9.4390  -7.921722      13.49033  
1 1 1 11  27  11 o 133.318 3.1440  9632.04    453.985  9776.82    628.956  9474.56    655.960  134.274 4.3247  132.172 4.5821  2.102631       6.300725  
1 1 1 11  27  12 o 60.654  2.8133  1993.52    184.814  1697.65    263.061  2281.89    259.706  55.776  4.3900  64.771  3.7175  -8.995758      5.752567  
1 1 1 11  27  13 o 126.954 3.0364  8735.12    417.517  9177.57    591.484  8295.73    589.437  130.084 4.1981  123.668 4.4006  6.416451       6.081848  
1 1 1 11  27  14 o 220.372 4.1359  26340.86   987.182  26971.54   1397.36  25712.47   1394.82  222.829 5.7898  217.551 5.9195  5.278152       8.280277  
1 1 1 11  27  15 o 203.514 3.9356  22465.87   867.510  22261.59   1225.78  22670.87   1227.92  202.421 5.5909  204.279 5.5498  -1.857086      7.877730  
1 1 1 11  27  16 f 155.859 3.4079  13173.34   575.284  13464.58   813.177  12881.53   813.973  157.469 4.7678  154.012 4.8796  3.456848       6.822203  
1 1 1 11  27  17 o 126.053 3.5811  8620.69    488.920  8933.01    590.084  7936.74    873.225  128.269 4.2474  120.490 6.7180  7.779449       7.948045  
1 1 1 11  27  18 o 191.756 3.9005  19967.25   810.110  20672.45   1085.56  19080.92   1217.01  194.917 5.1420  187.104 6.0054  7.813736       7.906023  
1 1 1 11  27  19 o 203.472 4.0401  22508.09   890.370  23739.21   1192.00  20954.22   1339.16  208.677 5.2739  195.775 6.3155  12.90257       8.227931  
1 1 1 11  27  20 o 195.981 3.9318  20902.61   834.591  21768.54   1117.54  19810.63   1254.95  199.643 5.1682  190.141 6.0937  9.502487       7.990232  
1 1 1 11  27  21 o 226.675 4.2920  28042.68   1053.73  28813.44   1488.95  27269.33   1491.45  228.923 6.0051  222.602 6.1860  6.320740       8.621378  
1 1 1 11  27  22 o 57.668  2.4462  1806.64    152.793  2266.47    291.341  1632.18    179.452  64.260  4.2092  54.683  3.0419  9.577629       5.193309  
1 1 1 11  27  23 o 102.326 3.0499  5703.89    338.013  5901.21    471.305  5494.91    485.037  103.809 4.1918  100.095 4.4740  3.714287       6.130826  
1 1 1 11  27  24 o 134.401 3.2384  9861.32    471.412  9863.46    660.768  9859.10    672.748  133.891 4.5564  133.822 4.6414  0.6921387E-01  6.504167  
1 1 1 11  27  25 o 47.090  4.2649  1230.85    215.162  1349.81    293.154  1091.93    316.789  48.906  5.6376  43.454  6.9662  5.451607       8.961611  
1 1 1 11  27  26 o 23.387  6.7718  319.433    181.387  301.949    232.083  346.876    290.766  23.259  7.8075  25.070  8.7300  -1.811245      11.71196  
1 1 1 11  27  27 o 42.651  4.6085  1024.53    209.507  1223.09    275.205  750.836    323.100  46.241  5.6098  34.866  8.6076  11.37486       10.27430  
1 1 1 11  27  28 o 24.850  7.0971  373.761    200.503  266.228    247.532  578.923    341.908  22.158  8.0204  30.158  9.4277  -8.000105      12.37778  
1 1 1 11  27  29 o 18.274  6.9338  165.924    189.049  306.691    240.684  -60.8074   305.458  22.603  7.9386  17.193  7.7531  5.409389       11.09647  
1 1 1 11  27  30 o 27.273  7.8797  496.971    245.841  386.272    330.963  633.236    367.197  24.369  9.1916  29.445  9.8207  -5.076160      13.45112  
1 1 1 11  27  31 o 22.249  9.2492  280.750    367.738  45.050     468.375  659.555    593.775  20.618  9.4162  28.057  11.716  -7.438967      15.03074  
1 1 1 11  27  32 o 17.709  8.1733  -35.5781   365.834  -193.0665  452.505  261.596    621.591  17.835  8.4954  23.147  10.673  -5.311802      13.64114  
1 1 1 11  27  33 o 21.555  9.2498  292.742    387.327  583.430    468.320  -336.5309  689.046  25.655  10.529  19.641  9.6185  6.014400       14.26091  
1 1 1 11  28  0  o 73.514  2.4856  2927.24    197.912  2821.49    221.451  3346.86    441.121  72.171  2.8330  78.407  5.2243  -6.235291      5.942995  
1 1 1 11  28  1  o 254.882 6.5459  35230.14   1807.09  37692.44   2556.05  32769.54   2555.17  263.481 8.9567  245.626 9.6045  17.85522       13.13276  
1 1 1 11  28  2  o 292.849 8.4777  46555.09   2689.02  45329.90   4741.76  47135.88   3264.75  287.805 15.266  294.509 10.235  -6.704590      18.37944  
1 1 1 11  28  3  o 462.374 10.999  116273.70  5508.33  122297.70  7790.82  110252.40  7789.10  473.285 15.198  449.174 16.010  24.11102       22.07525  
1 1 1 11  28  4  o 233.018 6.1192  29446.73   1544.38  30592.34   2184.32  28301.63   2183.85  237.350 8.4968  228.265 8.8331  9.084381       12.25641  
1 1 1 11  28  5  o 292.133 8.1074  46343.53   2565.26  39851.59   4508.24  49451.92   3119.52  269.491 15.511  301.612 9.5492  -32.12143      18.21450  
1 1 1 11  28  6  o 31.046  6.1689  541.331    200.122  585.247    280.299  495.670    285.813  32.199  8.0569  29.832  8.4574  2.367128       11.68084  
1 1 1 11  28  7  o 250.401 5.0778  33999.89   1377.16  34764.82   2393.10  33621.13   1683.94  252.881 8.7372  248.920 6.2459  3.961090       10.74016  
1 1 1 11  28  8  o 290.600 6.0184  45823.83   1894.30  45664.29   3288.36  45903.07   2317.45  289.512 10.487  290.709 7.3601  -1.196960      12.81185  
1 1 1 11  28  9  o 359.109 6.2934  70003.00   2447.83  72724.21   3462.99  67285.65   3460.54  365.622 8.7448  351.621 9.0865  14.00043       12.61096  
1 1 1 11  28  10 o 270.000 4.8342  39540.23   1413.69  41393.39   2001.13  37693.98   1997.40  276.059 6.6927  263.398 7.0013  12.66138       9.685634  
1 1 1 11  28  11 o 115.351 2.8685  7210.09    358.386  7479.62    509.638  6946.41    504.076  117.454 4.0061  113.187 4.1118  4.267433       5.740705  
1 1 1 11  28  12 o 145.984 3.2572  11550.78   515.021  12008.78   731.369  11100.27   725.368  148.792 4.5382  143.046 4.6818  5.746445       6.520327  
1 1 1 11  28  13 o 128.465 3.1104  8944.76    432.783  9046.19    603.276  8837.22    621.214  129.143 4.3130  127.634 4.4937  1.508949       6.228556  
1 1 1 11  28  14 o 236.834 4.4358  30431.34   1137.85  30899.73   1609.96  29963.88   1608.36  238.437 6.2341  234.786 6.3247  3.650848       8.880616  
1 1 1 11  28  15 o 110.173 2.9334  6579.44    350.043  6969.69    499.035  6201.45    491.130  113.346 4.0649  106.909 4.2414  6.437462       5.874820  
1 1 1 11  28  16 o 248.808 4.7861  33617.55   1289.77  34422.58   1707.91  32549.13   1967.56  251.522 6.2693  244.348 7.4344  7.174057       9.724957  
1 1 1 11  28  17 o 148.280 3.7871  11932.05   608.223  12638.06   743.276  10501.13   1058.16  152.538 4.4989  138.567 7.0741  13.97078       8.383486  
1 1 1 11  28  18 f 201.660 3.9200  22086.25   856.195  22141.96   1208.47  22030.09   1213.23  201.628 5.5337  201.110 5.5698  0.5175171      7.851398  
1 1 1 11  28  19 o 104.945 2.9642  5977.49    336.934  5860.33    475.209  6095.92    477.794  103.795 4.2271  105.867 4.1669  -2.072372      5.935573  
1 1 1 11  28  20 o 23.810  5.7116  322.657    145.403  377.632    191.684  248.156    223.143  25.748  6.7799  22.194  7.6523  3.553846       10.22373  
1 1 1 11  28  21 o 46.438  3.7325  1182.41    186.151  1130.64    250.290  1246.51    278.474  45.135  5.2159  47.352  5.5341  -2.216656      7.604704  
1 1 1 11  28  22 o 36.121  4.5965  725.665    175.757  848.732    228.826  548.609    274.468  38.886  5.5940  30.738  8.1220  8.147970       9.862039  
1 1 1 11  28  23 o 25.268  6.1305  367.980    166.067  246.299    212.090  560.798    266.983  21.752  7.4626  30.971  7.9260  -9.218699      10.88633  
1 1 1 11  28  24 o 46.387  2.1565  1169.52    108.347  1347.99    280.287  1138.17    117.480  49.070  5.3610  45.681  2.3827  3.388611       5.866625  
1 1 1 11  28  25 o 43.778  4.1984  1064.58    196.630  987.437    279.461  1140.21    276.714  41.456  6.4323  44.819  5.8390  -3.362495      8.687225  
1 1 1 11  28  26 o 43.708  4.3739  1067.38    204.283  1174.18    267.457  917.832    316.496  45.457  5.5474  39.260  7.7181  6.196739       9.504826  
1 1 1 11  28  27 o 37.481  5.0978  800.891    201.580  663.324    260.904  1004.64    317.517  33.172  7.4446  41.031  7.4177  -7.859482      10.50927  
1 1 1 11  28  28 o 36.252  2.0740  719.342    81.098   799.547    265.265  711.072    85.176   36.430  6.9768  36.020  2.1937  0.4102974      7.313579  
1 1 1 11  28  29 o 39.659  5.0995  918.960    213.977  878.283    277.946  978.145    335.269  37.545  7.0949  38.832  8.2271  -1.287071      10.86387  
1 1 1 11  28  30 o 19.372  7.7243  185.141    243.909  17.858     307.741  467.762    400.001  17.875  7.9408  26.063  10.038  -8.188423      12.79930  
1 1 1 11  28  31 o 21.977  8.7763  294.159    315.314  588.967    372.525  -450.6820  592.130  27.707  9.8615  18.862  9.1658  8.845266       13.46330  
1 1 1 11  28  32 o 21.419  8.7305  291.244    319.252  33.002     375.440  965.556    606.677  18.567  8.4605  30.365  12.157  -11.79798      14.81096  
1 1 1 11  28  33 o 16.367  7.5574  -47.5121   313.356  55.121     363.846  -342.2526  616.585  18.386  8.3590  18.866  9.2088  -0.4795170     12.43683  
1 1 1 11  29  0  o 232.165 4.4261  29208.68   1112.98  30454.37   1283.15  25424.33   2236.50  237.043 4.9978  216.350 9.5443  20.69304       10.77362  
1 1 1 11  29  1  o 231.975 6.0945  29178.58   1531.26  29138.83   2165.11  29218.35   2165.94  231.671 8.6285  231.988 8.6201  -0.3164673     12.19663  
1 1 1 11  29  2  o 264.958 7.6586  38096.92   2197.84  35609.54   3823.32  39324.56   2686.00  255.193 13.885  269.069 9.2166  -13.87675      16.66534  
1 1 1 11  29  3  o 361.701 8.8054  71054.67   3449.58  73065.41   4878.83  69044.55   4878.07  366.281 12.298  356.002 12.651  10.27911       17.64330  
1 1 1 11  29  4  o 340.780 8.3590  63067.31   3085.31  62439.30   4363.44  63695.23   4363.13  338.594 11.898  342.002 11.779  -3.407623      16.74231  
1 1 1 11  29  5  o 307.373 7.6475  51295.31   2545.97  50695.29   3600.81  51895.15   3600.29  305.171 10.894  308.780 10.765  -3.608978      15.31557  
1 1 1 11  29  6  f 337.563 8.2963  61912.25   3033.25  60481.26   4290.12  63342.64   4289.21  333.064 11.892  340.904 11.616  -7.840149      16.62450  
1 1 1 11  29  7  o 309.477 6.2689  51973.35   2101.31  50028.47   3645.85  52940.78   2571.35  302.972 11.110  312.194 7.6044  -9.222076      13.46353  
1 1 1 11  29  8  o 300.993 6.1777  49168.00   2013.98  49612.02   3497.21  48947.68   2463.49  301.704 10.702  300.156 7.5776  1.548248       13.11319  
1 1 1 11  29  9  o 475.483 9.3536  123095.90  4817.07  121375.90  8349.53  123954.00  5897.53  469.538 16.418  476.509 11.427  -6.970612      20.00315  
1 1 1 11  29  10 o 168.407 3.4370  15371.22   626.914  16577.81   889.494  14180.26   883.716  174.832 4.6973  161.677 5.0465  13.15445       6.894381  
1 1 1 11  29  11 o 189.335 3.8393  19434.40   787.328  20373.53   1058.21  18269.92   1178.35  193.780 5.0419  183.438 5.9308  10.34207       7.784317  
1 1 1 11  29  12 o 283.522 5.0338  43619.79   1545.80  45888.18   2188.01  41359.37   2184.16  290.538 6.9531  275.773 7.3125  14.76489       10.09045  
1 1 1 11  29  13 f 215.831 4.1153  25263.68   962.025  25998.91   1362.55  24532.85   1358.47  218.797 5.7496  212.523 5.9017  6.274551       8.239431  
1 1 1 11  29  14 o 274.064 4.8663  40767.93   1444.50  43232.50   2045.13  38314.38   2040.55  281.944 6.6971  265.353 7.0999  16.59064       9.760114  
1 1 1 11  29  15 o 270.762 5.1355  39816.49   1506.04  41919.68   1991.79  37008.84   2301.31  277.556 6.6256  260.472 8.1572  17.08417       10.50898  
1 1 1 11  29  16 o 132.011 3.0869  9448.78    441.366  9747.27    628.862  9159.01    619.613  134.003 4.3328  129.892 4.4042  4.111557       6.178216  
1 1 1 11  29  17 o 100.755 3.3570  5507.00    366.342  5474.62    444.663  5575.43    646.349  100.417 4.0884  101.024 5.9331  -0.6074600     7.205339  
1 1 1 11  29  18 o 67.841  3.5586  2505.42    260.569  2739.02    450.513  2387.99    319.417  70.630  5.9444  66.124  4.4865  4.505783       7.447406  
1 1 1 11  29  19 o 188.781 3.7531  19370.77   767.399  18272.19   1082.41  20481.04   1088.15  182.976 5.4617  193.794 5.1842  -10.81819      7.530291  
1 1 1 11  29  20 o 232.847 4.3614  29555.88   1099.94  29255.40   1554.97  29856.79   1556.11  230.878 6.2183  233.268 6.1591  -2.390259      8.752211  
1 1 1 11  29  21 o 127.708 3.0909  8870.26    427.532  8501.55    588.347  9282.78    622.325  124.764 4.3539  130.356 4.4077  -5.592758      6.195500  
1 1 1 11  29  22 o 64.855  3.3304  2297.54    233.153  2241.37    320.215  2360.92    340.144  63.792  4.6669  65.440  4.8332  -1.648548      6.718633  
1 1 1 11  29  23 o 29.590  1.7604  476.812    56.164   453.491    217.927  478.472    58.128   27.937  7.1671  29.636  1.8197  -1.699066      7.394499  
1 1 1 11  29  24 o 88.348  3.1362  4260.29    300.106  4354.33    415.096  4157.31    434.388  89.011  4.3056  86.755  4.6397  2.255920       6.329712  
1 1 1 11  29  25 o 46.534  4.2284  1202.40    210.788  1040.27    284.521  1399.64    313.829  42.583  6.3641  49.669  5.9522  -7.085926      8.713838  
1 1 1 11  29  26 o 26.742  6.4010  421.230    182.930  653.256    234.219  58.327     292.920  33.326  6.7208  19.310  8.1556  14.01642       10.56802  
1 1 1 11  29  27 o 20.706  6.8984  239.702    181.197  145.418    228.872  398.045    296.600  19.164  7.5324  26.099  8.8260  -6.934883      11.60326  
1 1 1 11  29  28 o 25.908  6.9252  408.589    198.061  570.532    259.054  180.734    307.282  30.272  7.8389  21.323  8.6111  8.949118       11.64470  
1 1 1 11  29  29 o 18.688  7.3061  165.789    214.359  394.742    297.637  -80.9470   308.979  24.887  8.8193  16.940  7.7022  7.946936       11.70915  
1 1 1 11  29  30 o 24.940  8.0207  414.582    245.962  203.331    320.999  714.984    382.786  20.888  8.6589  30.981  10.010  -10.09311      13.23571  
1 1 1 11  29  31 o 41.452  8.7461  1214.53    380.330  867.668    485.594  1764.99    611.721  31.643  11.259  44.814  12.252  -13.17052      16.63970  
1 1 1 11  29  32 o 16.165  7.6228  -153.8836  347.152  -175.2528  430.521  -114.1619  586.967  17.553  8.3397  20.109  9.6054  -2.556133      12.72061  
1 1 1 11  30  0  o 409.603 6.6680  90998.94   2958.20  88980.73   3414.04  97079.07   5925.75  404.923 7.7844  422.165 12.960  -17.24203      15.11780  
1 1 1 11  30  1  o 174.153 5.0145  16439.58   945.866  16619.39   1337.17  16259.51   1338.15  175.026 7.0536  173.117 7.1366  1.909012       10.03420  
1 1 1 11  30  2  f 281.169 8.1891  42919.64   2493.87  41923.45   4376.85  43398.54   3034.68  276.753 14.654  282.570 9.9155  -5.816925      17.69322  
1 1 1 11  30  3  o 84.884  4.0107  3904.48    368.737  3361.21    516.387  4469.68    526.711  78.487  6.1229  90.637  5.3896  -12.14986      8.157067  
1 1 1 11  30  4  o 172.878 5.0020  16202.35   936.593  17100.04   1324.58  15304.76   1324.51  177.519 6.8891  167.922 7.2824  9.596619       10.02464  
1 1 1 11  30  5  o 206.712 5.6093  23173.68   1255.86  22130.13   1775.67  24218.12   1776.43  201.845 8.1222  211.180 7.7665  -9.334686      11.23784  
1 1 1 11  30  6  o 222.121 5.8971  26764.95   1418.71  24547.14   2005.77  28985.37   2006.96  212.503 8.7146  230.982 8.0221  -18.47908      11.84478  
1 1 1 11  30  7  o 90.756  3.1266  4462.92    307.339  3548.03    551.714  4874.56    370.078  80.605  6.3714  94.841  3.6027  -14.23662      7.319470  
1 1 1 11  30  8  o 222.945 4.1606  26944.44   1004.67  25551.50   2023.91  27399.91   1157.32  216.752 8.6210  224.788 4.7535  -8.036087      9.844674  
1 1 1 11  30  9  o 235.128 4.8843  29985.11   1243.87  32696.72   2166.83  28652.34   1519.11  245.197 8.1590  229.745 6.1048  15.45204       10.19013  
1 1 1 11  30  10 o 419.577 8.5580  95816.37   3889.14  91580.85   6742.97  97927.74   4760.81  407.982 15.259  423.677 10.375  -15.69531      18.45227  
1 1 1 11  30  11 o 162.036 3.3922  14230.89   595.335  14932.70   845.137  13539.63   838.761  165.917 4.7029  157.978 4.9020  7.939850       6.793136  
1 1 1 11  30  12 o 44.438  3.1558  1075.69    150.906  1081.53    225.975  1070.99    202.737  44.393  4.7748  44.231  4.2856  0.1617393      6.416028  
1 1 1 11  30  13 o 316.617 5.5888  54436.01   1916.56  56810.35   2711.60  52065.81   2709.24  323.045 7.7498  309.190 8.0901  13.85571       11.20308  
1 1 1 11  30  14 o 475.900 8.0811  123429.30  4165.38  126396.70  5891.54  120463.50  5889.92  480.128 11.329  468.581 11.605  11.54654       16.21832  
1 1 1 11  30  15 o 158.195 3.3680  13569.72   577.076  14075.90   818.412  13069.20   813.826  161.023 4.6926  155.146 4.8431  5.877228       6.743592  
1 1 1 11  30  16 o 61.506  2.9444  2050.96    196.146  2469.98    289.897  1697.18    266.378  67.348  3.9920  55.733  4.4499  11.61412       5.978099  
1 1 1 11  30  17 o 48.514  2.5380  1279.36    132.895  1733.68    255.814  1111.43    155.529  56.344  4.2226  45.153  3.2009  11.19080       5.298711  
1 1 1 11  30  18 o 177.987 4.4377  17224.89   855.494  16059.96   1388.87  17937.10   1085.96  171.231 7.4887  181.429 5.5263  -10.19843      9.307078  
1 1 1 11  30  19 o 139.720 3.2343  10602.01   489.447  10255.84   672.342  10992.29   713.888  137.234 4.5233  142.055 4.6398  -4.821335      6.479859  
1 1 1 11  30  20 o 51.625  3.2980  1454.82    183.447  1429.51    248.641  1485.07    271.765  50.989  4.5500  51.919  4.8904  -0.9294739     6.679746  
1 1 1 11  30  21 o 40.471  4.3285  904.617    186.797  930.345    267.132  879.999    261.305  40.632  6.2719  39.482  6.3239  1.150066       8.906647  
1 1 1 11  30  22 o 83.248  2.7577  3768.92    248.652  3808.39    388.688  3741.57    323.510  83.319  4.3220  82.821  3.6064  0.4978180      5.628988  
1 1 1 11  30  23 o 87.795  3.0567  4201.20    290.663  4068.29    390.552  4366.21    435.179  86.154  4.1854  89.053  4.5267  -2.899086      6.165061  
1 1 1 11  30  24 o 51.006  3.9168  1434.59    214.729  1578.79    291.741  1264.12    317.201  53.196  5.1269  47.156  6.3738  6.040184       8.179935  
1 1 1 11  30  25 o 63.976  3.5478  2251.10    244.874  2335.83    337.090  2156.43    356.319  64.751  4.8415  62.006  5.3582  2.744759       7.221555  
1 1 1 11  30  26 o 37.050  5.0204  778.621    196.273  865.862    255.130  652.122    307.215  38.632  6.3157  32.673  8.5736  5.958298       10.64869  
1 1 1 11  30  27 o 63.746  3.6591  2249.30    251.579  2397.17    343.524  2078.26    369.462  65.268  4.8951  60.332  5.7224  4.936359       7.530467  
1 1 1 11  30  28 o 56.602  4.1342  1798.72    251.698  2113.83    352.321  1470.26    359.702  60.637  5.4217  49.623  6.8774  11.01449       8.757475  
1 1 1 11  30  29 o 33.060  6.8734  684.558    238.087  665.048    321.751  708.170    353.961  31.162  9.0178  31.800  9.5272  -0.6384048     13.11826  
1 1 1 11  30  30 o 43.083  5.4145  1110.62    247.076  1154.21    312.435  1037.84    403.677  42.649  7.0070  37.711  9.7953  4.938515       12.04353  
1 1 1 11  30  31 o 24.875  9.0297  445.609    314.075  357.910    369.723  672.956    595.284  23.309  9.4341  27.863  11.690  -4.554123      15.02161  
1 1 1 11  30  32 o 20.913  8.6061  268.710    313.943  -65.8268   366.322  1194.08    609.255  17.337  8.0627  33.278  12.487  -15.94110      14.86411  
1 1 1 11  31  0  o 48.006  1.4637  1248.15    76.108   1239.96    78.495   1376.55    310.934  47.848  1.5146  50.046  5.8464  -2.197910      6.039443  
1 1 1 11  31  1  o 113.906 4.1329  7030.91    509.882  7148.70    720.341  6912.63    721.825  114.673 5.8188  112.750 5.9317  1.922989       8.309211  
1 1 1 11  31  2  o 75.934  3.9584  3132.96    324.426  3021.15    459.144  3244.44    458.472  74.422  5.7405  77.159  5.5226  -2.736671      7.965638  
1 1 1 11  31  3  o 331.220 9.4715  59632.50   3397.85  57891.01   6065.84  60428.82   4101.79  324.499 17.321  333.153 11.367  -8.654114      20.71822  
1 1 1 11  31  4  o 303.588 7.5618  50038.87   2486.46  51522.48   3517.05  48556.39   3515.71  307.687 10.554  298.655 10.869  9.032288       15.14938  
1 1 1 11  31  5  o 259.737 6.6577  36612.11   1872.95  35466.96   2648.70  37757.34   2648.80  255.355 9.5768  263.506 9.2809  -8.151047      13.33602  
1 1 1 11  31  6  o 250.523 6.4722  34061.45   1756.18  33069.30   2483.77  35053.36   2483.45  246.567 9.3005  253.888 9.0312  -7.320786      12.96385  
1 1 1 11  31  7  o 39.564  5.1364  863.152    214.912  638.222    303.844  1088.34    304.019  33.609  8.3768  44.306  6.5313  -10.69715      10.62204  
1 1 1 11  31  8  o 419.497 7.0334  95581.07   3195.67  100596.90  6401.70  93916.33   3688.06  428.583 13.791  415.611 8.1930  12.97168       16.04093  
1 1 1 11  31  9  o 386.520 6.7062  81143.39   2807.51  76365.72   5623.74  82729.38   3240.16  373.174 13.914  390.104 7.6686  -16.93039      15.88710  
1 1 1 11  31  10 o 119.684 3.3671  7763.48    436.479  8650.16    779.335  7358.23    526.864  126.240 5.6998  116.493 4.1757  9.746643       7.065677  
1 1 1 11  31  11 o 238.747 5.0502  30928.25   1305.93  32476.31   2271.85  30164.29   1595.97  244.204 8.5893  235.659 6.2527  8.545105       10.62413  
1 1 1 11  31  12 o 132.701 3.0484  9543.67    438.147  9893.76    623.822  9202.82    615.528  135.064 4.2643  130.258 4.3629  4.806030       6.100776  
1 1 1 11  31  13 o 113.516 2.8726  6983.43    353.187  7774.42    503.616  6217.90    495.447  119.736 3.8833  107.066 4.2724  12.67003       5.773562  
1 1 1 11  31  14 o 156.150 3.3066  13219.06   559.239  13995.01   794.469  12456.97   787.346  160.589 4.5676  151.491 4.7985  9.097305       6.624893  
1 1 1 11  31  15 o 252.132 4.5729  34508.17   1248.80  37291.25   1768.28  31738.97   1763.86  261.838 6.2352  241.470 6.7442  20.36731       9.184856  
1 1 1 11  31  16 f 167.133 3.4741  15151.92   628.896  16142.07   891.481  14170.99   887.318  172.383 4.7747  161.484 5.0732  10.89906       6.966694  
1 1 1 11  31  17 o 163.568 4.0142  14527.43   711.157  14794.02   869.295  13987.97   1236.58  164.959 4.8654  160.044 7.1337  4.914536       8.634901  
1 1 1 11  31  18 o 287.264 5.9153  45025.48   1840.46  46496.42   3188.84  44290.75   2253.72  289.816 10.159  284.348 7.3178  5.468536       12.51998  
1 1 1 11  31  19 o 46.138  3.5597  1163.78    176.515  1262.35    243.977  1055.52    255.695  47.894  4.7665  43.619  5.5369  4.274834       7.305974  
1 1 1 11  31  20 o 195.855 3.8642  20890.34   819.718  20598.04   1158.24  21183.67   1160.28  193.919 5.5145  196.684 5.4466  -2.764633      7.750807  
1 1 1 11  31  21 o 105.947 3.0274  6105.35    347.397  6318.19    492.676  5894.88    489.923  107.556 4.2292  103.864 4.3551  3.692009       6.070623  
1 1 1 11  31  22 o 130.822 3.1912  9322.18    452.169  9154.34    628.380  9502.41    651.154  129.274 4.4879  131.682 4.5655  -2.408676      6.401926  
1 1 1 11  31  23 o 33.372  5.4932  631.039    191.645  516.239    263.760  759.422    278.929  29.699  8.0142  36.161  7.3717  -6.462097      10.88897  
1 1 1 11  31  24 o 107.675 2.9625  6324.48    345.490  6523.13    503.013  6147.08    475.353  108.931 4.2634  105.786 4.1488  3.144676       5.948873  
1 1 1 11  31  25 o 55.552  2.1170  1678.95    127.379  1222.99    311.401  1770.57    139.591  46.178  6.3979  57.029  2.2599  -10.85103      6.785301  
1 1 1 11  31  26 o 33.115  5.7074  633.160    197.316  748.715    259.352  474.353    304.039  35.597  6.9763  28.148  8.9034  7.448490       11.31098  
1 1 1 11  31  27 o 59.028  3.9161  1936.70    248.951  1887.37    344.333  1990.72    360.352  57.510  5.5990  59.018  5.7087  -1.507942      7.996109  
1 1 1 11  31  28 o 37.383  1.6784  760.956    67.959   970.130    307.109  750.186    69.686   39.805  7.3957  37.111  1.7337  2.693478       7.596177  
1 1 1 11  31  29 f 14.912  6.5399  -0.9712    202.465  -155.9450  252.654  277.148    338.464  14.351  6.6815  22.681  9.0803  -8.330159      11.27362  
1 1 1 11  31  30 o 18.325  7.5196  140.883    238.821  357.156    313.917  -156.2936  367.977  23.575  8.9375  17.213  8.0303  6.362663       12.01517  
1 1 1 11  31  31 o 30.182  9.1141  680.144    322.993  876.073    383.235  199.700    600.119  33.513  9.8833  23.135  10.600  10.37824       14.49304  
1 1 1 11  31  32 o 27.377  9.8191  620.149    369.998  848.215    460.959  207.078    620.361  30.375  10.953  22.520  10.479  7.855106       15.15841  
1 1 1 11  32  0  o 325.204 9.1584  57459.76   3225.88  53206.96   5743.61  59419.47   3898.91  311.231 17.104  330.481 10.892  -19.25055      20.27802  
1 1 1 11  32  1  o 103.550 4.0386  5810.58    452.950  6055.68    639.595  5563.99    641.547  105.530 5.6160  101.121 5.8830  4.408943       8.133169  
1 1 1 11  32  2  o 99.213  3.9957  5334.09    429.372  5660.04    608.071  5009.95    606.381  102.019 5.5236  95.936  5.8639  6.083595       8.055759  
1 1 1 11  32  3  o 133.251 4.5737  9624.54    660.106  8895.66    979.402  10231.24   893.554  127.828 7.1020  137.342 6.0069  -9.513786      9.301644  
1 1 1 11  32  4  o 104.608 4.0764  5930.69    461.860  5698.08    651.432  6165.81    654.919  102.323 5.9030  106.471 5.6999  -4.147438      8.205730  
1 1 1 11  32  5  o 258.334 6.6300  36219.92   1855.09  36435.98   2623.96  36004.02   2623.02  258.825 9.3601  257.280 9.4130  1.545074       13.27461  
1 1 1 11  32  6  o 399.127 11.561  86876.41   4997.72  91671.63   9065.53  84782.75   5990.21  406.406 20.663  393.634 14.050  12.77252       24.98738  
1 1 1 11  32  7  o 252.997 6.5426  34746.87   1792.81  36735.14   2534.30  32755.06   2536.54  259.856 9.0044  245.307 9.5469  14.54967       13.12337  
1 1 1 11  32  8  o 282.921 5.4174  43426.26   1660.06  42178.56   4490.85  43623.74   1786.60  276.770 15.037  283.524 5.8179  -6.754425      16.12362  
1 1 1 11  32  9  f 498.943 7.9943  135388.00  4320.20  157069.30  8651.56  128185.80  4986.39  534.603 14.941  485.071 9.4910  49.53201       17.70101  
1 1 1 11  32  10 o 460.562 7.7797  115371.00  3880.79  108703.00  7768.81  117588.20  4479.76  443.888 16.159  464.656 8.9013  -20.76819      18.44835  
1 1 1 11  32  11 o 311.592 5.5163  52701.86   1861.66  45915.30   3730.64  54952.25   2148.26  289.609 11.893  318.072 6.2358  -28.46252      13.42886  
1 1 1 11  32  12 o 65.280  3.3333  2315.97    234.899  1829.35    437.194  2513.45    278.515  57.559  7.1681  67.980  3.7978  -10.42088      8.112033  
1 1 1 11  32  13 o 114.001 3.4244  7045.66    422.827  6228.90    749.305  7427.24    512.161  106.846 6.5058  117.023 4.0408  -10.17693      7.658563  
1 1 1 11  32  14 o 121.771 3.0251  8037.71    398.986  8949.90    567.598  7146.73    560.962  128.446 4.0799  114.757 4.5132  13.68806       6.083954  
1 1 1 11  32  15 o 92.258  2.8362  4613.74    283.406  5226.93    405.147  4026.19    396.583  98.161  3.8107  86.134  4.2510  12.02721       5.708954  
1 1 1 11  32  16 o 81.974  2.8335  3643.18    251.577  3888.21    363.630  3418.20    348.425  84.641  3.9665  79.252  4.0728  5.388947       5.685181  
1 1 1 11  32  17 o 208.757 4.6588  23689.00   1053.39  23497.51   1288.97  24074.04   1827.82  207.713 5.7294  209.671 8.0487  -1.958008      9.879653  
1 1 1 11  32  18 o 128.294 3.6054  8939.89    500.988  8718.82    862.249  9052.55    615.551  126.316 6.3024  129.006 4.4054  -2.690048      7.689427  
1 1 1 11  32  19 o 147.045 3.2777  11747.14   522.016  11454.62   737.277  12041.20   739.210  144.959 4.6959  148.646 4.5914  -3.686600      6.567498  
1 1 1 11  32  20 o 129.454 3.1128  9110.17    436.454  9470.59    616.184  8747.26    618.301  131.758 4.3178  126.584 4.5097  5.173523       6.243488  
1 1 1 11  32  21 o 84.475  3.1740  3883.64    290.410  3842.41    400.176  3929.51    422.105  83.717  4.4291  84.618  4.6231  -0.9003220     6.402343  
1 1 1 11  32  22 o 151.845 3.3512  12568.99   551.155  12406.14   777.633  12733.37   781.282  150.351 4.7753  152.338 4.7351  -1.986832      6.724930  
1 1 1 11  32  23 o 82.483  2.7159  3703.92    242.637  3575.75    394.612  3781.83    307.670  80.542  4.5421  83.220  3.4134  -2.677612      5.681690  
1 1 1 11  32  24 o 39.851  4.6077  886.676    195.214  1062.56    260.711  662.225    294.519  43.358  5.6889  33.388  8.2033  9.970535       9.982849  
1 1 1 11  32  25 o 73.915  3.4606  2996.04    277.044  3219.03    376.940  2734.05    408.569  76.128  4.5930  69.778  5.4492  6.349319       7.126680  
1 1 1 11  32  26 o 53.265  3.9003  1573.92    223.450  1557.78    299.422  1594.22    335.691  52.451  5.3453  52.785  5.9769  -0.3348808     8.018488  
1 1 1 11  32  27 o 50.210  4.5092  1416.80    242.607  1781.44    323.869  950.576    366.217  55.918  5.4153  39.035  8.8642  16.88366       10.38743  
1 1 1 11  32  28 o 32.654  6.2017  638.741    211.323  588.622    267.599  721.785    344.457  30.477  8.0039  33.109  9.2491  -2.632050      12.23140  
1 1 1 11  32  29 o 29.767  6.8503  560.202    216.274  533.891    273.839  603.822    352.592  28.203  8.3641  29.251  9.6171  -1.047916      12.74544  
1 1 1 11  32  30 o 21.391  3.1478  260.672    70.749   722.715    404.493  246.090    71.857   30.692  10.307  20.718  3.3138  9.973293       10.82697  
1 1 1 11  32  31 o 14.473  6.9888  -335.8657  330.549  -472.9252  407.351  -71.6171   565.614  15.318  7.4789  20.648  9.7349  -5.330222      12.27609  
1 1 1 11  32  32 o 23.229  8.9247  394.354    315.640  273.779    372.071  703.896    596.150  21.434  9.1282  27.055  11.539  -5.620436      14.71296  
1 1 1 11  33  0  f 165.396 6.0102  14836.60   1076.67  15516.78   1522.65  14156.43   1522.64  169.031 8.3170  161.191 8.7542  7.839539       12.07511  
1 1 1 11  33  1  o 425.651 10.192  98544.96   4698.62  103796.40  6645.72  93296.29   6643.98  435.988 14.073  413.156 14.847  22.83240       20.45721  
1 1 1 11  33  2  o 404.530 9.7533  88989.37   4273.37  87559.16   6043.75  90419.30   6043.17  400.406 13.936  406.948 13.711  -6.541931      19.54967  
1 1 1 11  33  3  o 276.902 6.9971  41616.25   2098.52  44748.66   2968.58  38487.34   2966.93  286.857 9.5546  265.943 10.300  20.91434       14.04944  
1 1 1 11  33  4  o 243.885 6.3302  32273.85   1672.14  34059.20   2365.62  30491.08   2363.91  250.323 8.7252  236.798 9.2169  13.52512       12.69172  
1 1 1 11  33  5  o 116.060 4.1774  7301.12    525.117  6758.14    741.297  7848.02    743.967  111.433 6.1660  120.282 5.7106  -8.848816      8.404195  
1 1 1 11  33  6  o 76.418  4.0254  3174.09    332.005  3277.44    468.619  3069.93    470.438  77.525  5.6191  74.996  5.8375  2.529266       8.102491  
1 1 1 11  33  7  o 76.143  3.9978  3151.37    328.548  2928.90    464.611  3373.89    464.662  73.230  5.9080  78.671  5.4876  -5.440865      8.063357  
1 1 1 11  33  8  o 240.196 4.2621  31280.42   1108.82  32980.36   2234.55  30725.11   1277.15  246.232 8.3787  238.007 4.9543  8.225082       9.733826  
1 1 1 11  33  9  o 332.813 5.7701  60119.93   2079.95  59471.79   4171.11  60334.43   2399.58  329.868 11.675  333.283 6.6474  -3.415649      13.43443  
1 1 1 11  33  10 o 145.750 3.2186  11512.97   508.092  12753.10   1006.78  11089.18   588.538  153.252 6.0654  143.022 3.7993  10.23067       7.157063  
1 1 1 11  33  11 o 206.408 3.9660  23100.71   886.651  20321.22   1784.39  24011.98   1021.71  193.162 8.5290  210.403 4.4834  -17.24101      9.635550  
1 1 1 11  33  12 o 288.904 5.1743  45302.98   1619.12  41411.66   3246.21  46591.63   1868.08  275.158 10.892  292.887 5.8888  -17.72919      12.38234  
1 1 1 11  33  13 o 54.212  3.4511  1599.76    201.583  1623.52    389.425  1591.07    235.606  54.221  6.7793  54.010  4.0572  0.2107544      7.900612  
1 1 1 11  33  14 o 219.423 4.7863  26137.20   1137.51  25836.05   1980.19  26285.51   1389.67  217.608 8.4016  219.916 5.8342  -2.307953      10.22867  
1 1 1 11  33  15 o 288.912 5.9445  45393.66   1860.18  44854.67   3228.09  45661.62   2276.07  285.951 10.423  289.465 7.2597  -3.514374      12.70189  
1 1 1 11  33  16 o 146.909 3.2350  11705.57   514.755  13045.67   713.704  10252.67   743.134  155.006 4.2511  137.347 4.9955  17.65897       6.559462  
1 1 1 11  33  17 o 85.018  3.3736  3922.47    310.654  3990.26    377.871  3781.10    545.658  85.709  4.0705  83.057  6.1085  2.652145       7.340432  
1 1 1 11  33  18 o 98.665  3.3743  5286.29    360.589  5297.20    627.264  5280.91    440.682  98.316  5.9181  98.548  4.1286  -0.2320480     7.215926  
1 1 1 11  33  19 o 93.188  2.8965  4715.29    292.347  4465.99    411.425  4969.53    415.487  90.561  4.1945  95.552  4.0147  -4.991127      5.806139  
1 1 1 11  33  20 o 104.950 2.8611  5984.99    325.230  5873.28    461.592  6095.12    458.316  103.782 4.1064  105.742 4.0017  -1.960098      5.733819  
1 1 1 11  33  21 o 33.241  5.1538  620.089    179.549  476.511    229.734  845.440    287.814  28.734  7.3517  38.437  7.1773  -9.703568      10.27435  
1 1 1 11  33  22 o 122.689 3.1048  8199.18    412.581  8099.49    584.101  8298.44    582.857  121.575 4.4358  123.079 4.3723  -1.504601      6.228433  
1 1 1 11  33  23 o 74.879  3.1703  3058.60    257.117  3089.05    353.369  3024.33    374.816  74.882  4.3759  73.995  4.7012  0.8876266      6.422609  
1 1 1 11  33  24 o 22.589  6.6941  292.320    175.456  287.202    229.753  299.482    271.768  23.008  7.7680  23.925  8.4328  -0.9168911     11.46539  
1 1 1 11  33  25 o 39.477  5.0464  879.760    210.838  909.886    290.888  846.416    306.027  39.438  7.0695  37.747  7.7449  1.691086       10.48628  
1 1 1 11  33  26 o 41.600  1.9068  941.577    85.915   1032.27    267.419  931.139    90.725   42.330  6.0007  41.356  2.0254  0.9737091      6.333342  
1 1 1 11  33  27 o 51.907  4.0152  1503.48    223.980  1732.72    327.477  1301.99    307.022  55.026  5.5715  47.361  6.1290  7.664936       8.282864  
1 1 1 11  33  28 o 28.661  6.8056  505.408    208.116  510.159    260.270  496.984    346.563  28.296  8.0876  27.777  9.5389  0.5194054      12.50597  
1 1 1 11  33  29 o 16.959  7.0856  87.927     217.365  413.025    283.736  -373.9119  338.184  25.035  8.6291  14.775  7.1181  10.26026       11.18608  
1 1 1 11  33  30 o 13.452  6.2965  -153.1778  229.294  -88.1562   293.697  -254.6723  366.938  16.095  7.3898  16.246  7.7132  -0.1516399     10.68189  
1 1 1 11  33  31 o 33.624  8.8670  828.216    327.542  1000.83    389.494  411.343    605.297  36.037  9.7448  24.896  11.094  11.14067       14.76588  
1 1 1 11  33  32 o 31.806  12.516  1114.40    632.656  0.0000     0.0000   1114.40    632.656  ?       ?       31.806  12.516  0.000000       12.51631  
1 1 1 11  34  0  o 212.799 5.7301  24558.25   1320.70  24128.38   1867.91  24987.98   1867.58  210.773 8.1822  214.506 8.0384  -3.732452      11.47018  
1 1 1 11  34  1  o 97.610  3.7245  5162.95    393.758  5534.78    594.124  4871.69    525.825  100.882 5.4577  94.651  5.1485  6.230705       7.502953  
1 1 1 11  34  2  o 192.391 5.3383  20071.29   1112.39  18670.04   1572.84  21473.67   1573.47  185.415 7.8319  198.886 7.3044  -13.47110      10.70950  
1 1 1 11  34  3  o 135.741 4.4235  9987.75    650.346  9201.71    917.317  10782.10   922.159  130.220 6.5039  140.979 6.0392  -10.75926      8.875401  
1 1 1 11  34  4  o 279.221 7.0623  42327.09   2135.81  41623.86   3020.55  43030.26   3020.43  276.535 10.085  281.192 9.9174  -4.656372      14.14412  
1 1 1 11  34  5  o 158.735 4.7655  13661.66   819.324  13269.64   1158.21  14054.33   1159.18  156.342 6.8398  160.909 6.6512  -4.566940      9.540518  
1 1 1 11  34  6  o 169.172 5.4302  15524.24   994.982  15357.64   1589.88  15631.50   1275.67  167.814 8.7776  169.667 6.9418  -1.853729      11.19086  
1 1 1 11  34  7  o 204.819 5.5765  22761.19   1237.09  22899.00   1750.66  22623.75   1748.38  205.247 7.8751  204.006 7.9126  1.240936       11.16361  
1 1 1 11  34  8  o 152.820 3.1591  12655.53   522.899  14433.71   1070.01  12097.64   599.339  163.062 6.0585  149.395 3.7039  13.66679       7.101015  
1 1 1 11  34  9  o 145.275 3.0005  11436.52   472.128  12333.73   972.566  11159.90   540.027  150.727 5.9574  143.492 3.4747  7.234924       6.896698  
1 1 1 11  34  10 o 283.036 5.0572  43465.63   1550.31  41330.23   3111.62  44170.75   1788.04  275.146 10.441  285.238 5.7876  -10.09219      11.93804  
1 1 1 11  34  11 o 112.794 2.8548  6894.41    348.762  7272.61    725.444  6780.72    397.742  115.584 5.8133  111.849 3.2832  3.735336       6.676384  
1 1 1 11  34  12 f 262.596 4.9587  37422.14   1410.36  35773.20   2646.99  38075.84   1666.63  256.020 9.5457  264.776 5.8115  -8.755951      11.17562  
1 1 1 11  34  13 o 186.134 3.6598  18786.45   737.821  18477.35   1484.27  18887.90   850.323  184.228 7.4385  186.597 4.2073  -2.369202      8.545950  
1 1 1 11  34  14 o 364.432 6.2279  72225.33   2458.26  71513.02   4922.27  72462.03   2837.45  360.307 12.613  364.778 7.1817  -4.471100      14.51441  
1 1 1 11  34  15 o 95.057  3.2613  4899.92    335.777  5359.83    601.732  4691.96    404.635  99.131  5.6275  92.986  4.0177  6.144249       6.914536  
1 1 1 11  34  16 o 61.054  3.5270  2029.15    232.236  1768.35    423.565  2141.25    277.698  56.499  7.0768  62.666  4.1142  -6.167004      8.185856  
1 1 1 11  34  17 o 82.051  3.4325  3654.16    305.048  3503.95    523.617  3731.33    375.318  79.927  6.0944  82.762  4.2007  -2.834320      7.401920  
1 1 1 11  34  18 o 47.185  4.0563  1219.53    205.284  1309.36    361.139  1176.64    249.516  48.370  7.1050  46.191  5.0708  2.179142       8.728920  
1 1 1 11  34  19 o 59.703  3.1132  1941.76    200.614  1649.70    281.196  2244.51    286.295  54.781  4.7873  64.064  4.1483  -9.283264      6.334548  
1 1 1 11  34  20 o 133.822 3.1851  9740.16    461.653  10601.58   658.205  8906.08    647.675  139.353 4.3609  127.646 4.6847  11.70731       6.400280  
1 1 1 11  34  21 o 41.947  1.6085  954.165    73.080   665.124    260.300  978.897    76.142   33.968  7.2930  42.486  1.6547  -8.517345      7.478312  
1 1 1 11  34  22 o 48.174  3.9881  1277.65    206.214  1302.75    287.968  1251.22    295.437  48.270  5.6128  47.214  5.9065  1.055801       8.148058  
1 1 1 11  34  23 o 92.285  3.1084  4645.27    310.699  4728.84    435.860  4558.93    443.018  92.798  4.3365  91.070  4.4913  1.728027       6.243147  
1 1 1 11  34  24 o 99.595  2.9714  5414.55    320.529  5667.23    475.698  5204.43    433.788  101.443 4.3295  97.291  4.1166  4.152534       5.974175  
1 1 1 11  34  25 o 75.145  3.3449  3095.39    272.244  3354.87    380.128  2822.14    390.088  77.716  4.5356  71.018  5.1054  6.698730       6.829165  
1 1 1 11  34  26 o 29.137  6.4786  501.829    199.163  358.085    251.298  744.617    326.594  24.836  8.1168  34.770  8.6949  -9.934315      11.89470  
1 1 1 11  34  27 o 92.113  3.3347  4676.29    332.697  4473.81    456.055  4906.64    486.420  89.199  4.7375  93.360  4.8269  -4.160606      6.763339  
1 1 1 11  34  28 o 56.693  4.0329  1811.46    246.022  1657.03    318.231  2040.89    387.868  53.259  5.6006  58.696  6.1946  -5.436573      8.351020  
1 1 1 11  34  29 o 4.7758  2.2976  -51.5723   34.938   214.181    250.412  -56.8484   35.284   20.228  7.8998  4.6867  2.2680  15.54166       8.218919  
1 1 1 11  34  30 o 27.108  11.457  537.724    578.675  0.0000     0.0000   537.724    578.675  ?       ?       27.108  11.457  0.000000       11.45698  
1 1 1 11  34  31 o 25.817  11.220  516.690    584.401  0.0000     0.0000   516.690    584.401  ?       ?       25.817  11.220  0.000000       11.22048  
1 1 1 11  34  32 o 21.916  10.245  133.396    603.812  0.0000     0.0000   133.396    603.812  ?       ?       21.916  10.245  0.000000       10.24513  
1 1 1 11  35  0  o 237.458 6.2085  30589.62   1596.77  29047.18   2257.87  32132.86   2258.47  231.169 9.0178  243.181 8.5746  -12.01169      12.44364  
1 1 1 11  35  1  o 269.222 6.8487  39337.26   1997.05  40327.94   2824.67  38347.17   2823.84  272.309 9.5771  265.509 9.8196  6.800446       13.71661  
1 1 1 11  35  2  o 126.450 4.2792  8666.70    586.076  8655.96    830.053  8677.38    827.626  126.315 6.0671  126.473 6.0418  -0.1571045     8.562294  
1 1 1 11  35  3  o 406.415 9.7689  89871.68   4300.16  82521.30   6080.54  97225.90   6082.14  388.358 14.456  421.869 13.311  -33.51141      19.65067  
1 1 1 11  35  4  o 95.537  3.6341  4946.24    376.040  4094.48    491.624  6147.22    583.771  86.731  5.2583  106.471 5.0622  -19.73997      7.298985  
1 1 1 11  35  5  o 81.254  3.9943  3578.50    351.521  3527.40    496.272  3629.96    497.983  80.432  5.7342  81.604  5.6694  -1.172501      8.063718  
1 1 1 11  35  6  o 192.667 5.3522  20136.10   1116.89  20567.26   1580.19  19705.67   1578.86  194.564 7.4985  190.433 7.6548  4.131866       10.71554  
1 1 1 11  35  7  o 214.731 5.7436  25021.89   1335.81  26927.12   1891.06  23124.44   1887.19  222.559 7.8450  206.183 8.4507  16.37595       11.53075  
1 1 1 11  35  8  o 192.223 3.7600  20028.79   782.822  18301.44   1582.70  20588.22   900.711  183.449 7.9655  194.863 4.2676  -11.41379      9.036723  
1 1 1 11  35  9  o 150.100 3.3034  12210.61   537.047  11052.98   1098.82  12573.92   615.579  142.608 7.1140  152.301 3.7317  -9.692581      8.033373  
1 1 1 11  35  10 o 172.442 3.4846  16118.42   650.822  16448.73   1322.67  16012.89   747.584  173.957 7.0201  171.850 4.0164  2.106079       8.087825  
1 1 1 11  35  11 o 276.246 4.9105  41407.61   1469.24  41850.61   2950.12  41261.49   1694.31  276.909 9.8363  275.668 5.6746  1.240417       11.35581  
1 1 1 11  35  12 o 179.312 3.6704  17433.09   712.834  15314.67   1439.75  18121.03   820.453  167.702 7.9264  182.786 4.1442  -15.08452      8.944428  
1 1 1 11  35  13 o 168.043 3.4074  15309.98   620.165  16935.64   1253.29  14782.85   713.662  176.468 6.5572  165.089 3.9912  11.37820       7.676322  
1 1 1 11  35  14 o 231.691 4.2138  29127.71   1057.43  28671.31   2123.27  29278.24   1219.41  229.172 8.5541  232.215 4.8483  -3.043594      9.832520  
1 1 1 11  35  15 o 281.386 4.9373  43015.18   1504.75  42836.59   3014.50  43074.45   1736.57  279.447 9.9597  281.432 5.6970  -1.984802      11.47393  
1 1 1 11  35  16 o 79.819  2.5559  3453.80    220.962  3751.68    512.111  3385.66    244.934  82.821  5.7444  79.017  2.8619  3.804131       6.417852  
1 1 1 11  35  17 o 144.413 3.7892  11326.95   592.679  11254.91   1040.36  11361.57   721.142  143.514 6.6930  144.534 4.6066  -1.019928      8.125069  
1 1 1 11  35  18 o 59.171  3.6155  1909.67    230.599  1722.60    404.072  2000.03    280.819  55.653  6.8480  60.471  4.3159  -4.818520      8.094575  
1 1 1 11  35  19 o 110.336 3.3129  6617.95    395.911  6544.60    694.637  6653.24    481.833  109.120 5.8993  110.530 4.0248  -1.409218      7.141472  
1 1 1 11  35  20 o 95.594  3.5465  4976.18    367.199  4772.84    679.089  5060.19    436.518  92.704  6.8110  96.294  4.1854  -3.589516      7.994146  
1 1 1 11  35  21 o 57.823  4.4521  1840.04    276.688  2013.94    584.356  1789.79    314.133  58.974  9.4689  56.869  5.1560  2.105022       10.78166  
1 1 1 11  35  22 o 133.533 3.7495  9744.11    542.287  10159.91   953.119  9545.07    659.425  135.134 6.5120  131.857 4.6173  3.276703       7.982849  
1 1 1 11  35  23 o 113.215 3.7027  7013.91    454.033  7292.67    838.003  6898.07    540.191  113.858 6.8269  112.018 4.4523  1.839439       8.150432  
1 1 1 11  35  24 o 69.649  4.0723  2676.00    305.863  3061.00    547.166  2501.03    368.878  73.263  6.9798  66.968  5.1245  6.295204       8.659051  
1 1 1 11  35  25 o 56.550  4.5947  1783.29    278.993  1742.85    502.628  1801.29    335.407  53.861  8.9287  56.468  5.5560  -2.606693      10.51621  
1 1 1 11  35  26 o 83.684  3.8756  3867.53    351.276  4135.86    619.380  3740.30    426.503  84.614  6.8162  81.724  4.8400  2.890282       8.359761  
1 1 1 11  35  27 o 49.086  5.6325  1387.47    294.034  1879.74    497.329  1122.93    364.578  55.251  8.5896  42.734  8.1746  12.51701       11.85766  
1 1 1 11  35  28 o 22.897  8.3605  305.632    269.815  433.076    456.166  237.052    334.626  26.856  10.609  22.343  8.9990  4.512819       13.91169  
1 1 1 11  35  29 o 21.086  8.2725  239.406    275.581  -70.3040   458.822  414.187    344.678  20.039  9.2140  25.153  9.4015  -5.113560      13.16376  
1 1 1 11  35  30 o 25.281  11.048  382.224    573.221  0.0000     0.0000   382.224    573.221  ?       ?       25.281  11.048  0.000000       11.04763  
1 1 1 11  35  31 o 17.982  8.7893  -493.6596  567.139  0.0000     0.0000   -493.6596  567.139  ?       ?       17.982  8.7893  0.000000       8.789268  
1 1 1 11  35  32 o 23.648  10.261  397.733    487.120  0.0000     0.0000   397.733    487.120  ?       ?       23.648  10.261  0.000000       10.26105  
1 1 1 11  36  0  o 116.815 4.1891  7395.98    530.014  6842.01    749.718  7949.47    749.389  112.129 6.1972  121.063 5.7151  -8.934532      8.430203  
1 1 1 11  36  1  o 183.488 5.6697  18261.14   1126.78  19024.95   1429.21  17006.61   1831.66  187.207 7.0486  176.558 9.6145  10.64857       11.92144  
1 1 1 11  36  2  o 155.220 4.7018  13061.93   790.460  12430.57   1118.27  13692.41   1117.49  151.331 6.8226  158.843 6.4954  -7.512329      9.420075  
1 1 1 11  36  3  o 58.021  2.7410  1823.78    172.250  1783.41    191.084  1998.80    397.886  57.289  3.0910  60.381  6.1707  -3.092304      6.901575  
1 1 1 11  36  4  o 251.467 6.4955  34322.39   1769.14  33567.30   2501.82  35077.62   2502.05  248.394 9.2992  253.946 9.0967  -5.551636      13.00867  
1 1 1 11  36  5  o 136.850 4.6111  10154.24   683.467  9537.04    1022.98  10651.88   918.563  132.322 7.1645  140.103 6.0533  -7.780655      9.379345  
1 1 1 11  36  6  o 154.738 4.7030  12984.07   788.216  13201.59   1115.50  12767.17   1113.92  155.928 6.6050  153.335 6.7072  2.593262       9.413427  
1 1 1 11  36  7  o 211.125 6.5011  24204.01   1486.60  24532.97   2497.96  24023.60   1849.85  211.761 10.928  210.178 8.1261  1.582596       13.61842  
1 1 1 11  36  8  o 173.029 3.3753  16226.11   632.559  17335.26   1283.83  15870.52   726.920  178.647 6.6350  171.099 3.9225  7.547409       7.707771  
1 1 1 11  36  9  o 142.180 3.1126  10955.18   479.321  11099.78   987.643  10910.62   548.210  142.955 6.3787  141.875 3.5676  1.080475       7.308542  
1 1 1 11  36  10 o 134.387 3.1016  9787.55    451.450  9404.76    931.317  9905.12    516.146  131.565 6.5356  135.177 3.5253  -3.611710      7.425788  
1 1 1 11  36  11 o 106.239 2.8363  6116.40    326.369  5843.27    683.697  6197.01    371.420  103.535 6.1241  106.927 3.2071  -3.391991      6.913017  
1 1 1 11  36  12 o 195.151 3.7753  20650.86   797.980  20263.26   1611.19  20776.84   918.552  192.919 7.7109  195.705 4.3334  -2.786636      8.845100  
1 1 1 11  36  13 o 159.388 3.3126  13773.30   571.872  12845.27   1157.10  14073.25   657.828  153.633 6.9537  161.088 3.7703  -7.454651      7.910077  
1 1 1 11  36  14 o 175.276 3.5455  16661.17   673.090  16893.30   1357.53  16585.50   775.070  176.114 7.1168  174.837 4.0930  1.277679       8.209811  
1 1 1 11  36  15 o 33.054  4.2483  602.838    148.572  811.687    342.094  554.288    164.940  37.790  8.5568  31.557  4.9917  6.232782       9.906398  
1 1 1 11  36  16 o 211.767 3.9738  24349.79   911.459  22591.39   1826.24  24933.08   1051.82  203.085 8.3025  214.204 4.5336  -11.11885      9.459688  
1 1 1 11  36  17 o 149.641 3.3215  12155.41   538.336  11613.41   1073.05  12337.71   622.320  145.718 6.7989  150.702 3.8126  -4.984360      7.794911  
1 1 1 11  36  18 o 34.253  5.0313  653.205    181.095  407.232    319.258  769.895    219.895  27.698  9.1534  37.130  5.6458  -9.431770      10.75451  
1 1 1 11  36  19 o 110.913 3.4462  6690.84    413.999  6210.71    710.248  6937.92    509.506  106.175 6.2031  112.830 4.1692  -6.654861      7.474042  
1 1 1 11  36  20 o 51.679  4.7636  1473.24    263.635  1836.22    488.278  1323.88    313.214  56.849  8.1644  48.679  6.0727  8.169941       10.17521  
1 1 1 11  36  21 o 128.501 3.6883  9008.12    513.339  9547.84    910.790  8756.84    621.450  131.332 6.4029  126.459 4.5372  4.873184       7.847492  
1 1 1 11  36  22 o 128.935 3.6902  9084.43    515.334  9337.75    911.398  8965.38    624.802  129.341 6.5269  127.804 4.5137  1.537750       7.935562  
1 1 1 11  36  23 o 23.293  7.6806  297.526    224.833  538.185    429.601  206.745    263.853  30.964  10.621  21.714  8.2029  9.249975       13.41996  
1 1 1 11  36  24 o 29.642  1.8997  479.395    60.668   702.091    437.572  475.030    61.259   34.009  10.671  29.503  1.9277  4.506569       10.84365  
1 1 1 11  36  25 o 53.293  2.2314  1546.85    128.803  911.017    480.627  1596.05    133.693  37.845  11.042  54.127  2.2805  -16.28262      11.27485  
1 1 1 11  36  26 o ?       ?       -133.1833  33.048   -120.3715  421.042  -133.2627  33.150   20.165  9.0971  ?       ?       0.000000       9.097111  
1 1 1 11  36  27 o 71.931  3.2016  2850.89    249.428  3622.77    585.050  2679.43    275.744  78.386  6.9636  69.454  3.6787  8.932106       7.875536  
1 1 1 11  36  28 o 9.2480  2.9952  46.051     34.253   -10.0187   445.252  46.385     34.355   20.835  9.3812  9.2758  2.9991  11.55951       9.848980  
1 1 1 11  36  29 o 21.314  8.5890  232.134    304.993  0.0000     0.0000   232.134    304.993  ?       ?       21.314  8.5890  0.000000       8.589002  
1 1 1 11  36  30 o 30.954  11.117  792.900    474.449  0.0000     0.0000   792.900    474.449  ?       ?       30.954  11.117  0.000000       11.11715  
1 1 1 11  36  31 o 25.960  10.609  541.063    472.910  0.0000     0.0000   541.063    472.910  ?       ?       25.960  10.609  0.000000       10.60867  
1 1 1 11  36  32 o 24.951  10.640  503.165    506.696  0.0000     0.0000   503.165    506.696  ?       ?       24.951  10.640  0.000000       10.63982  
1 1 1 11  37  0  o 61.634  4.2167  2068.65    279.798  1830.16    396.509  2305.20    394.885  57.717  6.4533  64.945  5.6706  -7.228622      8.590712  
1 1 1 11  37  1  o 152.229 4.6561  12563.32   767.695  12582.58   1085.82  12544.08   1085.55  152.264 6.5840  152.030 6.5925  0.2335663      9.317203  
1 1 1 11  37  2  o 182.219 5.9027  18013.45   1164.97  19787.92   1904.68  16952.86   1472.52  190.739 9.2196  176.663 7.6956  14.07611       12.00933  
1 1 1 11  37  3  o 443.062 10.551  106932.80  5063.27  115447.80  7162.16  98425.54   7158.92  459.210 14.400  423.608 15.603  35.60229       21.23250  
1 1 1 11  37  4  o 332.619 8.1962  60135.72   2952.77  59146.38   4176.19  61124.74   4175.50  329.242 11.711  334.744 11.517  -5.502258      16.42500  
1 1 1 11  37  5  o 302.427 7.5517  49696.22   2473.63  47157.68   3498.23  52234.79   3498.25  294.059 10.984  309.589 10.433  -15.53073      15.14858  
1 1 1 11  37  6  o 106.051 4.0927  6097.09    470.104  5737.39    664.450  6457.60    665.205  102.640 6.0030  108.944 5.6569  -6.304398      8.248446  
1 1 1 11  37  7  o 238.745 6.2440  30946.45   1614.61  28655.02   2283.55  33237.28   2283.25  229.397 9.1908  247.153 8.5294  -17.75557      12.53876  
1 1 1 11  37  8  o 334.070 5.7555  60577.45   2082.52  62206.59   4176.72  60038.44   2402.45  337.398 11.429  332.450 6.6720  4.947815       13.23432  
1 1 1 11  37  9  o 268.040 4.8373  38975.03   1404.33  35823.24   2822.78  40011.70   1618.90  256.224 10.172  271.513 5.5050  -15.28949      11.56571  
1 1 1 11  37  10 o 102.856 2.8014  5732.77    312.082  6204.55    665.980  5600.02    353.271  106.742 5.7820  101.648 3.2088  5.093826       6.612691  
1 1 1 11  37  11 o 46.542  1.6700  1173.34    84.183   1075.62    362.573  1178.91    86.548   43.784  7.9378  46.652  1.7129  -2.867104      8.120481  
1 1 1 11  37  12 o 182.584 3.7699  18077.59   745.529  17990.76   1435.34  18109.67   872.447  181.817 7.2887  182.702 4.4089  -0.8846130     8.518404  
1 1 1 11  37  13 o 160.737 3.3226  14007.86   578.447  14741.62   1175.03  13773.15   664.550  164.615 6.5904  159.353 3.8503  5.261826       7.632685  
1 1 1 11  37  14 o 105.556 2.8695  6039.90    328.069  5600.83    672.805  6176.86    375.768  101.284 6.1624  106.731 3.2506  -5.447075      6.967113  
1 1 1 11  37  15 o 129.856 3.0361  9143.78    427.017  9302.51    865.553  9092.72    490.918  130.719 6.1134  129.465 3.5010  1.254120       7.044906  
1 1 1 11  37  16 o 69.330  2.3334  2605.56    175.217  2021.41    448.808  2710.60    190.320  60.445  6.9840  70.709  2.4851  -10.26456      7.412903  
1 1 1 11  37  17 o 138.846 3.1988  10464.46   481.048  9643.69    963.435  10737.04   555.209  132.595 6.7306  140.593 3.6460  -7.998001      7.654674  
1 1 1 11  37  18 o 92.121  3.6754  4614.08    366.722  4808.43    580.009  4484.65    473.343  93.601  5.7490  90.560  4.8433  3.040298       7.517249  
1 1 1 11  37  19 o 111.380 2.9244  6740.23    352.784  8967.28    766.437  6141.55    397.383  127.931 5.5313  106.250 3.4531  21.68144       6.520711  
1 1 1 11  37  20 o 67.921  3.4483  2518.70    252.842  3079.08    544.074  2364.34    285.549  74.297  6.8379  65.703  4.0321  8.593887       7.938150  
1 1 1 11  37  21 o 33.750  5.5806  643.320    196.866  785.721    451.079  609.815    218.804  36.505  10.710  32.647  6.4166  3.857483       12.48528  
1 1 1 11  37  22 o 55.965  3.9697  1722.68    239.066  2440.16    588.867  1581.10    261.594  65.051  8.5662  53.470  4.5606  11.58031       9.704578  
1 1 1 11  37  23 o 52.499  2.3400  1499.14    133.057  2026.97    486.816  1456.53    138.324  59.337  7.7608  51.735  2.4686  7.602207       8.143901  
1 1 1 11  37  24 f 58.727  3.9048  1903.58    246.956  1853.01    510.753  1919.01    282.127  55.936  8.7142  58.797  4.4635  -2.860405      9.790825  
1 1 1 11  37  25 o 20.087  7.3276  198.809    207.192  -239.2296  432.898  328.967    235.975  19.394  8.9295  24.017  7.8662  -4.622051      11.90015  
1 1 1 11  37  26 o 81.065  3.6281  3622.31    318.553  3639.36    610.947  3615.94    373.315  78.972  7.2226  80.607  4.2914  -1.634804      8.401360  
1 1 1 11  37  27 o 30.859  7.5402  587.689    249.874  757.450    465.047  518.786    296.275  33.539  11.046  28.694  8.7434  4.845182       14.08737  
1 1 1 11  37  28 o 17.477  7.4549  64.098     248.899  313.563    443.548  -50.5638   300.707  24.659  10.197  17.128  7.7111  7.530815       12.78416  
1 1 1 11  37  29 o 16.244  7.5935  -180.1280  331.604  0.0000     0.0000   -180.1280  331.604  ?       ?       16.244  7.5935  0.000000       7.593454  
1 1 1 11  37  30 o 20.189  9.1351  52.444     428.247  0.0000     0.0000   52.444     428.247  ?       ?       20.189  9.1351  0.000000       9.135116  
1 1 1 11  37  31 o 23.622  10.312  358.685    498.311  0.0000     0.0000   358.685    498.311  ?       ?       23.622  10.312  0.000000       10.31231  
1 1 1 11  38  0  o 251.944 5.3253  34424.85   1453.19  33769.89   1776.92  35747.53   2525.16  249.441 6.5770  256.385 9.0934  -6.943909      11.22261  
1 1 1 11  38  1  o 169.731 4.9451  15621.09   909.086  15560.86   1285.66  15681.30   1285.62  169.296 7.0115  169.952 6.9842  -0.6555786     9.896468  
1 1 1 11  38  2  o 166.127 6.0492  14974.64   1088.45  14942.03   1539.31  15007.25   1539.30  165.561 8.6139  165.925 8.5947  -0.3645172     12.16836  
1 1 1 11  38  3  o 75.777  4.1025  3121.64    335.460  2736.59    469.570  3523.00    479.407  70.743  6.1907  80.399  5.5392  -9.655411      8.307027  
1 1 1 11  38  4  o 117.342 4.2856  7464.61    544.669  7791.10    776.753  7148.79    763.963  119.821 5.9852  114.603 6.1775  5.218506       8.601415  
1 1 1 11  38  5  o 81.907  4.1848  3646.51    370.016  3957.77    507.059  3291.98    541.169  85.232  5.5224  77.597  6.4988  7.634354       8.528290  
1 1 1 11  38  6  o 238.176 6.2319  30796.50   1607.63  28513.73   2273.54  33079.23   2273.52  228.852 9.1723  246.584 8.5126  -17.73198      12.51385  
1 1 1 11  38  7  o 213.235 6.5851  24695.78   1520.88  25393.17   2560.51  24315.60   1890.50  215.388 11.013  211.412 8.2562  3.976578       13.76374  
1 1 1 11  38  8  f 166.712 3.7925  15066.68   684.795  15828.31   1200.72  14699.52   833.668  170.706 6.4942  164.625 4.6755  6.081451       8.002145  
1 1 1 11  38  9  o 297.217 5.2420  47938.08   1687.48  49343.57   3390.05  47475.12   1945.65  300.633 10.411  295.674 6.0755  4.959564       12.05421  
1 1 1 11  38  10 o 128.221 2.9545  8909.58    410.304  9054.79    854.006  8866.00    467.837  129.114 6.1068  127.893 3.3774  1.221230       6.978552  
1 1 1 11  38  11 o 280.709 5.0359  42766.60   1531.10  41645.39   3075.53  43136.04   1765.43  276.050 10.286  281.821 5.7837  -5.771179      11.80087  
1 1 1 11  38  12 o 236.484 4.3121  30340.02   1104.49  31984.40   2224.84  29802.22   1272.35  242.190 8.4815  234.305 5.0137  7.885208       9.852529  
1 1 1 11  38  13 o 130.873 3.0363  9284.73    430.399  9314.76    883.539  9275.39    492.825  130.878 6.2329  130.787 3.4790  0.9101868E-01  7.138082  
1 1 1 11  38  14 o 222.346 4.3471  26835.88   1046.89  26497.69   1981.53  26966.83   1233.02  220.257 8.3062  222.788 5.1098  -2.530472      9.752062  
1 1 1 11  38  15 o 211.539 3.9674  24290.30   908.995  25006.88   1828.01  24054.90   1047.71  213.902 7.8903  210.427 4.5969  3.474243       9.131749  
1 1 1 11  38  16 o 204.867 3.8675  22792.34   858.173  23179.29   1723.99  22664.87   989.474  205.745 7.7363  204.198 4.4739  1.547470       8.936807  
1 1 1 11  38  17 o 95.446  2.9500  4943.85    304.960  4351.04    602.221  5148.28    353.657  88.995  6.2882  97.369  3.3534  -8.374565      7.126503  
1 1 1 11  38  18 f 37.401  5.9865  784.534    234.331  479.333    329.847  1095.53    332.962  29.471  9.2677  44.071  7.2259  -14.60064      11.75175  
1 1 1 11  38  19 f 91.426  3.0272  4543.25    299.768  4819.97    658.955  4471.04    336.615  93.321  6.5611  90.649  3.4285  2.672241       7.402835  
1 1 1 11  38  20 o 92.756  3.1484  4681.75    316.305  5569.70    669.594  4426.69    358.869  100.303 6.1938  90.115  3.6768  10.18781       7.202896  
1 1 1 11  38  21 o 103.753 3.1086  5862.14    349.325  6743.67    731.742  5601.94    397.551  110.231 6.1535  101.323 3.6225  8.907730       7.140598  
1 1 1 11  38  22 o 143.160 3.3303  11184.24   516.395  12496.33   1053.15  10768.92   592.512  149.735 6.4938  140.279 3.8997  9.456192       7.574745  
1 1 1 11  38  23 o 49.004  4.2932  1329.92    225.567  1501.61    484.349  1282.37    254.896  50.266  9.2367  47.929  4.9830  2.337696       10.49508  
1 1 1 11  38  24 o 51.114  4.2735  1450.34    234.418  2144.84    495.540  1250.11    266.072  60.750  7.7043  47.111  5.3068  13.63936       9.355122  
1 1 1 11  38  25 o 30.935  1.1482  519.062    38.471   451.113    434.569  519.599    38.623   28.693  10.590  30.950  1.1522  -2.257605      10.65202  
1 1 1 11  38  26 o 39.875  1.7930  864.967    77.437   518.729    464.786  874.853    78.535   29.824  10.960  40.101  1.8082  -10.27700      11.10847  
1 1 1 11  38  27 o 25.979  2.3969  372.456    66.683   576.806    468.407  368.229    67.369   30.024  11.008  25.821  2.4377  4.202761       11.27430  
1 1 1 11  38  28 o 7.5342  2.9444  19.504     34.807   0.0001     452.294  19.621     34.911   20.873  9.4213  7.5486  2.9492  13.32417       9.872081  
1 1 1 11  38  29 o 23.162  9.6738  277.680    404.968  0.0000     0.0000   277.680    404.968  ?       ?       23.162  9.6738  0.000000       9.673836  
1 1 1 11  38  30 o 19.444  8.8750  4.0445     415.285  0.0000     0.0000   4.0445     415.285  ?       ?       19.444  8.8750  0.000000       8.874957  
1 1 1 11  38  31 o 21.570  9.7747  173.686    492.470  0.0000     0.0000   173.686    492.470  ?       ?       21.570  9.7747  0.000000       9.774693  
1 1 1 11  39  0  o 268.421 5.8405  39088.48   1698.01  40000.11   2077.27  37252.78   2947.72  271.420 7.0661  261.534 10.406  9.885895       12.57841  
1 1 1 11  39  1  o 239.329 7.3377  31108.01   1902.07  33428.24   3270.97  29922.59   2338.00  247.470 12.203  234.532 9.2039  12.93767       15.28517  
1 1 1 11  39  2  o 288.576 7.2563  45228.18   2268.02  43932.81   3206.99  46524.32   3207.95  283.979 10.427  292.283 10.133  -8.303619      14.53954  
1 1 1 11  39  3  o 125.485 4.3139  8536.59    586.320  8575.91    827.548  8496.95    830.825  125.708 6.0780  125.126 6.1304  0.5822678      8.632737  
1 1 1 11  39  4  o 66.356  4.1866  2396.49    299.352  2443.08    420.624  2348.67    426.124  66.842  5.8694  65.504  6.0753  1.337425       8.447442  
1 1 1 11  39  5  o 163.361 4.8538  14473.47   858.819  14661.94   1215.00  14285.28   1214.11  164.305 6.8274  162.174 6.9120  2.130020       9.715428  
1 1 1 11  39  6  o 97.922  4.0560  5198.39    430.179  5433.60    609.098  4964.30    607.635  99.904  5.6522  95.453  5.9064  4.450859       8.175119  
1 1 1 11  39  7  o 284.297 7.1838  43925.13   2212.05  42529.02   3129.19  45319.68   3127.45  279.215 10.347  288.297 10.016  -9.081268      14.40062  
1 1 1 11  39  8  o 189.922 5.9341  19583.49   1220.68  19300.89   2003.59  19750.30   1539.35  187.871 9.8812  190.589 7.4571  -2.718201      12.37924  
1 1 1 11  39  9  o 80.777  2.6784  3535.50    234.330  3113.50    529.742  3638.17    261.283  75.418  6.5502  81.936  2.9442  -6.518349      7.181439  
1 1 1 11  39  10 o 118.480 2.8540  7607.03    366.242  8238.21    772.271  7423.89    415.997  123.171 5.7888  117.032 3.2818  6.138245       6.654405  
1 1 1 11  39  11 o 71.540  2.4964  2773.20    193.435  1975.51    315.854  3251.92    244.689  60.136  4.8917  77.462  2.9165  -17.32561      5.695158  
1 1 1 11  39  12 o 113.973 2.9442  7040.79    363.450  5830.41    759.869  7399.84    413.861  103.297 6.8303  116.831 3.2706  -13.53430      7.572937  
1 1 1 11  39  13 o 238.079 4.6250  30768.05   1192.63  30262.32   2251.83  30965.21   1406.02  235.385 8.8326  238.733 5.4376  -3.348541      10.37218  
1 1 1 11  39  14 o 195.355 3.8266  20706.84   809.669  20424.82   1631.43  20799.01   932.633  193.446 7.7864  195.730 4.3993  -2.283844      8.943288  
1 1 1 11  39  15 o 73.246  2.5036  2908.25    198.620  2938.27    487.467  2902.27    217.493  73.180  6.2087  73.163  2.7446  0.1686096E-01  6.788271  
1 1 1 11  39  16 o 143.025 3.1987  11100.56   495.507  10931.03   999.812  11155.75   570.499  141.477 6.5247  143.334 3.6748  -1.857147      7.488428  
1 1 1 11  39  17 o 49.163  3.5944  1320.19    190.071  1165.21    372.784  1374.63    220.947  45.408  7.8647  50.108  4.1072  -4.700623      8.872577  
1 1 1 11  39  18 o 38.893  5.8095  845.925    237.223  986.858    334.053  702.549    336.935  41.657  7.6871  34.903  8.8887  6.753483       11.75157  
1 1 1 11  39  19 o 98.957  2.8649  5321.27    307.066  7527.45    701.198  4797.81    341.558  117.155 5.5260  93.904  3.3582  23.25090       6.466394  
1 1 1 11  39  20 f 155.754 3.4641  13216.10   584.391  12372.87   1188.77  13484.82   671.078  149.158 7.3583  157.192 3.9416  -8.034424      8.347538  
1 1 1 11  39  21 o 51.706  3.9568  1469.68    219.911  1045.30    498.171  1572.40    245.083  41.710  10.905  53.428  4.2709  -11.71812      11.71111  
1 1 1 11  39  22 o 60.569  3.6835  2013.02    240.499  2634.62    525.116  1848.02    270.541  68.163  7.2228  57.873  4.3478  10.28936       8.430456  
1 1 1 11  39  23 f 28.917  1.2262  453.436    38.405   298.740    439.343  454.627    38.553   26.688  10.452  28.955  1.2293  -2.267494      10.52438  
1 1 1 11  39  24 o 57.686  4.0910  1841.76    253.948  2376.96    518.379  1672.76    291.297  63.997  7.6289  54.679  4.9730  9.318104       9.106594  
1 1 1 11  39  25 o 27.751  7.3732  460.473    225.385  344.914    441.613  501.175    262.089  26.932  10.498  28.826  8.0732  -1.893618      13.24354  
1 1 1 11  39  26 o 51.357  4.7288  1485.94    260.087  1734.58    500.185  1393.80    304.488  53.045  9.0295  49.242  5.8217  3.802681       10.74352  
1 1 1 11  39  27 o 40.464  6.2773  972.692    266.196  593.124    479.746  1141.54    319.971  30.145  11.126  43.428  7.0439  -13.28230      13.16848  
1 1 1 11  39  28 f 21.997  7.9554  289.073    243.461  634.302    461.700  156.105    286.536  29.601  10.917  19.834  8.1981  9.767183       13.65245  
1 1 1 11  39  29 o 28.228  10.139  583.166    394.621  0.0000     0.0000   583.166    394.621  ?       ?       28.228  10.139  0.000000       10.13878  
1 1 1 11  39  30 o 41.092  10.158  1290.52    449.541  0.0000     0.0000   1290.52    449.541  ?       ?       41.092  10.158  0.000000       10.15819  
1 1 1 11  39  31 o 21.225  9.5231  175.528    454.317  0.0000     0.0000   175.528    454.317  ?       ?       21.225  9.5231  0.000000       9.523109  
1 1 1 11  40  0  o 135.472 3.5766  9945.91    524.797  9665.48    619.023  10662.53   989.539  133.529 4.2802  140.154 6.5186  -6.625671      7.798244  
1 1 1 11  40  1  o 210.928 6.2729  24146.67   1433.09  21880.06   2396.66  25408.13   1787.94  200.016 11.107  216.254 7.6334  -16.23776      13.47693  
1 1 1 11  40  2  o 151.851 4.6595  12502.95   766.347  12077.83   1082.09  12930.72   1085.47  149.148 6.6985  154.337 6.4935  -5.188171      9.329264  
1 1 1 11  40  3  o 126.464 4.5981  8672.00    629.827  9757.00    924.846  7733.61    860.095  134.066 6.3691  119.157 6.6914  14.90927       9.238041  
1 1 1 11  40  4  o 122.204 4.2710  8096.51    565.311  7597.54    798.380  8598.20    800.565  118.139 6.2618  125.871 5.8722  -7.732613      8.584451  
1 1 1 11  40  5  o 321.532 7.9661  56213.11   2774.23  55065.00   3923.84  57360.65   3922.88  317.562 11.408  324.169 11.173  -6.606232      15.96798  
1 1 1 11  40  6  o 210.206 5.6918  23980.94   1295.89  23936.29   1833.61  24025.50   1831.70  209.781 8.0699  210.175 8.0465  -0.3931732     11.39602  
1 1 1 11  40  7  o 156.597 5.0582  13304.07   857.927  12367.45   1335.79  13961.69   1119.30  150.542 8.2235  160.331 6.4455  -9.789276      10.44848  
1 1 1 11  40  8  o 327.119 8.0674  58227.73   2858.31  59913.68   4044.43  56545.37   4040.10  331.068 11.279  321.541 11.601  9.527222       16.18001  
1 1 1 11  40  9  o 227.026 4.2653  27951.62   1048.80  27436.18   2116.65  28119.36   1207.45  224.420 8.7080  227.655 4.8969  -3.234756      9.990428  
1 1 1 11  40  10 f 337.792 5.9051  61973.04   2160.45  60111.03   4333.79  62588.80   2492.21  331.148 12.083  339.309 6.7814  -8.160400      13.85592  
1 1 1 11  40  11 o 314.555 5.6040  53738.42   1909.27  51609.84   3831.22  54441.71   2202.22  306.838 11.528  316.463 6.4249  -9.625549      13.19761  
1 1 1 11  40  12 o 187.467 3.7754  19059.92   766.572  21623.18   1480.01  18120.14   896.146  199.342 6.8548  182.729 4.5280  16.61385       8.215254  
1 1 1 11  40  13 o 106.082 2.8381  6099.92    326.086  6127.99    691.459  6091.89    369.789  105.981 6.0488  105.998 3.2210  -0.1638794E-01 6.852949  
1 1 1 11  40  14 o 53.875  3.1092  1579.15    180.659  1948.79    410.010  1490.09    201.248  59.474  6.4693  52.288  3.5750  7.185997       7.391357  
1 1 1 11  40  15 o 114.506 2.9447  7110.89    365.206  5721.21    750.034  7542.77    418.121  102.168 6.8171  117.912 3.2740  -15.74473      7.562505  
1 1 1 11  40  16 o 169.678 3.4527  15631.01   634.525  16715.29   1279.12  15277.10   730.778  174.841 6.7546  167.670 4.0240  7.170837       7.862408  
1 1 1 11  40  17 o 60.608  3.1312  1999.87    204.845  2854.78    416.720  1727.46    235.227  72.128  5.3727  56.231  3.8861  15.89706       6.630824  
1 1 1 11  40  18 o 113.705 3.5389  7032.20    435.834  7399.73    775.855  6862.75    526.809  115.958 6.1999  112.204 4.3348  3.754028       7.565033  
1 1 1 11  40  19 o 169.474 3.6420  15643.43   668.511  14799.06   1356.91  15914.08   768.215  163.243 7.6744  170.788 4.1529  -7.544937      8.726027  
1 1 1 11  40  20 o 237.087 4.4546  30749.30   1143.89  31365.76   2297.12  30546.03   1319.06  235.841 8.9928  235.896 5.1626  -0.5517578E-01 10.36934  
1 1 1 11  40  21 o 96.142  3.1595  5036.93    329.005  6004.01    683.492  4745.27    375.352  103.928 6.0987  93.207  3.7181  10.72169       7.142711  
1 1 1 11  40  22 f 111.359 3.2097  6766.11    387.129  8176.90    790.107  6320.42    444.089  121.291 6.0143  107.464 3.8154  13.82674       7.122451  
1 1 1 11  40  23 o 58.305  3.8095  1872.06    239.250  2182.53    520.591  1788.93    269.383  61.343  8.0281  56.829  4.4111  4.513748       9.160131  
1 1 1 11  40  24 o 56.571  4.2260  1774.84    257.069  1483.40    514.345  1871.88    296.797  49.131  10.006  57.921  4.7736  -8.789509      11.08592  
1 1 1 11  40  25 o 65.063  2.7426  2313.95    193.270  2128.40    543.836  2340.77    206.767  59.514  8.6932  65.399  2.9190  -5.885189      9.170213  
1 1 1 11  40  26 o 51.077  2.2549  1423.72    124.745  1393.13    495.135  1425.79    128.903  46.598  10.102  51.101  2.3290  -4.503487      10.36673  
1 1 1 11  40  27 o 47.597  2.1393  1238.60    110.284  1085.22    489.920  1246.79    113.189  39.196  11.059  47.743  2.1889  -8.546772      11.27362  
1 1 1 11  40  28 o 24.088  8.0460  371.450    246.461  1134.14    467.667  78.179     290.000  39.202  10.710  18.583  7.9899  20.61902       13.36227  
1 1 1 11  40  29 f 14.209  6.9597  -526.4844  361.293  0.0000     0.0000   -526.4844  361.293  ?       ?       14.209  6.9597  0.000000       6.959719  
1 1 1 11  40  30 o 14.936  7.3158  -519.3407  399.109  0.0000     0.0000   -519.3407  399.109  ?       ?       14.936  7.3158  0.000000       7.315841  
1 1 1 11  40  31 o 32.185  12.059  1025.94    567.802  0.0000     0.0000   1025.94    567.802  ?       ?       32.185  12.059  0.000000       12.05945  
1 1 1 11  41  0  f 121.853 2.9259  8045.00    386.159  8066.94    546.627  8023.16    545.597  121.989 4.1371  121.658 4.1406  0.3315582      5.853227  
1 1 1 11  41  1  o 217.361 5.8217  25636.33   1370.58  25384.88   1938.40  25887.72   1938.19  216.075 8.2826  218.213 8.2006  -2.138092      11.65553  
1 1 1 11  41  2  o 225.990 5.9893  27716.46   1466.01  27183.97   2071.21  28251.05   2075.29  223.562 8.5537  227.925 8.4065  -4.362381      11.99317  
1 1 1 11  41  3  o 234.099 6.1566  29746.52   1561.03  30023.09   2207.76  29470.01   2207.50  234.919 8.6769  232.735 8.7573  2.183731       12.32793  
1 1 1 11  41  4  o 273.978 8.2722  40825.35   2454.75  44230.41   4300.44  39179.68   2989.65  284.053 13.978  268.086 10.296  15.96738       17.36072  
1 1 1 11  41  5  o 330.846 9.4744  59626.37   3395.06  57570.38   6058.59  60567.51   4099.11  322.416 17.414  333.020 11.364  -10.60364      20.79421  
1 1 1 11  41  6  o 257.440 6.5668  35996.98   1831.06  32542.03   2585.81  39471.72   2593.21  244.340 9.7709  269.250 8.8923  -24.91046      13.21144  
1 1 1 11  41  7  o 197.855 5.4597  21245.02   1169.99  21652.07   1656.29  20839.60   1652.96  199.537 7.6638  195.743 7.7966  3.793793       10.93256  
1 1 1 11  41  8  o 115.036 4.2184  7176.11    525.598  6785.87    744.770  7563.31    741.854  111.609 6.1852  118.028 5.8031  -6.419632      8.481342  
1 1 1 11  41  9  o 215.884 4.2900  25276.37   1003.11  27251.59   2578.51  24924.13   1088.89  223.320 10.660  214.344 4.6903  8.976257       11.64651  
1 1 1 11  41  10 o 258.677 4.9171  36312.60   1377.65  36937.50   3664.76  36209.76   1486.69  258.939 13.110  258.265 5.3148  0.6740723      14.14612  
1 1 1 11  41  11 o 234.906 4.6049  29943.64   1171.60  30881.91   2217.71  29580.40   1379.88  237.961 8.6045  233.382 5.4589  4.579727       10.19008  
1 1 1 11  41  12 o 198.399 3.8904  21350.37   835.995  20189.18   1691.28  21725.81   961.695  192.420 8.1152  200.088 4.4376  -7.668549      9.249208  
1 1 1 11  41  13 o 117.702 3.0010  7510.76    382.575  6762.18    797.879  7734.25    435.959  111.250 6.6522  119.424 3.3704  -8.173798      7.457278  
1 1 1 11  41  14 o 365.091 6.2555  72588.05   2473.61  79285.77   4958.37  70368.84   2854.14  378.694 12.089  359.091 7.3384  19.60275       14.14174  
1 1 1 11  41  15 o 270.106 4.8438  39673.77   1417.08  39253.90   2842.78  39812.60   1634.65  266.962 9.8316  270.396 5.5815  -3.433533      11.30546  
1 1 1 11  41  16 o 96.670  2.8621  5070.22    299.668  4575.53    619.050  5221.62    342.467  91.297  6.2989  98.078  3.2239  -6.780991      7.075960  
1 1 1 11  41  17 o 155.883 3.2696  13200.10   552.039  14878.12   1114.42  12654.46   635.485  164.824 6.2425  152.537 3.8465  12.28706       7.332412  
1 1 1 11  41  18 o 124.209 3.6431  8396.03    490.108  8729.62    861.798  8236.56    595.845  125.878 6.3414  122.871 4.4773  3.006989       7.762652  
1 1 1 11  41  19 o 155.208 3.5537  13119.79   597.393  12484.43   1176.15  13340.69   693.511  150.076 7.2357  156.364 4.0949  -6.288422      8.314086  
1 1 1 11  41  20 o 111.706 3.2108  6794.46    388.469  6695.12    791.861  6825.95    445.800  109.703 6.6964  111.869 3.6793  -2.165863      7.640626  
1 1 1 11  41  21 o 106.514 3.2144  6184.82    370.833  6229.43    756.571  6170.72    425.443  105.570 6.6507  106.279 3.6959  -0.7097397     7.608643  
1 1 1 11  41  22 o 53.219  4.2838  1564.47    244.836  1806.23    507.088  1490.98    279.584  55.650  8.6977  51.747  5.0528  3.902672       10.05884  
1 1 1 11  41  23 o 95.381  3.0078  4967.09    310.730  5382.46    690.244  4861.52    347.986  97.615  6.5667  94.253  3.4087  3.361488       7.398747  
1 1 1 11  41  24 o 26.758  7.3655  423.724    220.206  -255.8924  450.470  637.119    252.421  19.763  9.1029  32.791  7.2955  -13.02788      11.66557  
1 1 1 11  41  25 o 81.761  3.6454  3680.69    322.823  3389.23    626.276  3786.15    376.728  76.016  7.7134  82.591  4.2255  -6.575363      8.795012  
1 1 1 11  41  26 o 63.749  4.0932  2267.11    281.125  2565.56    551.592  2162.39    326.748  65.325  7.9605  61.855  4.9178  3.470333       9.357020  
1 1 1 11  41  27 o 31.485  7.2837  618.888    243.451  591.814    471.046  628.756    284.376  29.712  11.013  31.216  8.2765  -1.503408      13.77648  
1 1 1 11  41  28 o 19.423  8.1064  137.285    284.070  0.0000     0.0000   137.285    284.070  ?       ?       19.423  8.1064  0.000000       8.106427  
1 1 1 11  41  29 o 24.302  9.5200  379.824    364.514  0.0000     0.0000   379.824    364.514  ?       ?       24.302  9.5200  0.000000       9.519968  
1 1 1 11  41  30 o 30.324  10.304  740.903    404.280  0.0000     0.0000   740.903    404.280  ?       ?       30.324  10.304  0.000000       10.30405  
1 1 1 11  41  31 o 43.039  10.791  1522.28    502.110  0.0000     0.0000   1522.28    502.110  ?       ?       43.039  10.791  0.000000       10.79117  
1 1 1 11  42  0  o 272.433 5.6892  40270.65   1678.72  38635.91   2374.01  41905.56   2374.13  266.570 8.2225  277.664 7.8943  -11.09366      11.39864  
1 1 1 11  42  1  o 344.999 8.4535  64732.29   3158.82  60622.65   4466.75  68843.73   4467.73  333.060 12.382  355.118 11.616  -22.05844      16.97775  
1 1 1 11  42  2  o 228.575 6.0402  28356.92   1495.37  27627.78   2112.75  29088.87   2116.81  225.355 8.6558  231.262 8.4510  -5.906662      12.09723  
1 1 1 11  42  3  o 284.214 7.1534  43884.88   2202.06  39808.16   3113.17  47966.93   3115.20  270.171 10.639  296.745 9.6924  -26.57339      14.39194  
1 1 1 11  42  4  o 96.912  4.0790  5091.69    428.154  5331.99    604.984  4850.56    606.020  98.962  5.6678  94.345  5.9613  4.616859       8.225625  
1 1 1 11  42  5  o 217.979 5.8445  25790.42   1379.85  24488.50   1951.46  27092.19   1951.35  212.137 8.4932  223.182 8.0725  -11.04445      11.71748  
1 1 1 11  42  6  o 96.398  4.0798  5038.27    425.972  5015.62    603.032  5060.82    601.801  95.948  5.8304  96.385  5.7916  -0.4366226     8.218004  
1 1 1 11  42  7  o 78.496  3.3086  3339.49    281.297  3366.87    343.545  3283.77    490.007  78.698  4.0441  77.551  5.8774  1.147202       7.134330  
1 1 1 11  42  8  o 488.335 11.703  130501.50  6189.75  125211.00  8754.81  135789.20  8752.44  475.599 16.996  495.712 16.302  -20.11298      23.54974  
1 1 1 11  42  9  o 222.679 4.1524  26891.13   1001.49  23554.59   2019.72  27978.98   1153.26  207.871 8.9707  227.094 4.6887  -19.22330      10.12215  
1 1 1 11  42  10 o 108.481 2.6516  6377.04    311.552  7931.65    687.030  5974.59    349.560  120.873 5.2478  104.991 3.0740  15.88224       6.081823  
1 1 1 11  42  11 o 64.245  2.2975  2236.38    159.871  2112.70    241.667  2332.62    213.185  62.316  3.5958  65.601  3.0004  -3.284588      4.683171  
1 1 1 11  42  12 o 178.430 3.5562  17265.13   687.256  17827.07   1397.79  17085.98   789.242  180.936 7.1325  177.461 4.1062  3.475159       8.230054  
1 1 1 11  42  13 o 213.006 4.0917  24623.26   943.998  25882.70   1906.76  24214.34   1086.49  217.717 8.0860  211.152 4.7507  6.564774       9.378302  
1 1 1 11  42  14 o 259.360 4.6416  36548.01   1303.90  38356.97   2621.74  35953.52   1502.96  264.461 9.1529  257.095 5.3974  7.365631       10.62576  
1 1 1 11  42  15 o 36.998  3.6337  750.241    143.731  798.915    349.439  740.330    157.688  37.403  8.7768  36.698  4.0338  0.7043648      9.659376  
1 1 1 11  42  16 o 166.648 3.4933  15083.93   630.524  15612.59   1222.04  14892.14   736.067  168.886 6.6807  165.492 4.1065  3.393921       7.841871  
1 1 1 11  42  17 o 71.802  2.4910  2797.30    193.721  2829.31    469.846  2790.74    212.636  71.616  6.1159  71.703  2.7380  -0.8707428E-01 6.700783  
1 1 1 11  42  18 o 110.525 3.4990  6646.90    418.861  6963.62    763.439  6510.51    501.000  112.366 6.2983  109.266 4.2333  3.100777       7.588767  
1 1 1 11  42  19 o 21.392  6.7947  249.430    176.934  390.743    398.694  214.774    197.441  28.222  10.184  20.694  7.1945  7.527969       12.46936  
1 1 1 11  42  20 o 79.204  3.3661  3418.44    288.762  3513.81    599.602  3389.64    329.487  79.184  7.0654  78.793  3.8608  0.3916550      8.051485  
1 1 1 11  42  21 o 118.127 3.2019  7607.65    409.662  7360.35    842.169  7684.30    468.874  114.664 6.8117  118.602 3.6500  -3.937675      7.728004  
1 1 1 11  42  22 o 76.481  3.4700  3197.27    287.447  2956.24    591.130  3271.91    328.957  71.894  7.7118  77.167  3.9491  -5.272583      8.664104  
1 1 1 11  42  23 o 58.024  4.0297  1859.48    251.676  2555.30    523.086  1649.88    287.090  66.675  7.3664  54.373  4.9285  12.30191       8.863064  
1 1 1 11  42  24 o 77.780  3.5508  3322.27    299.131  3723.63    607.912  3194.05    343.608  80.469  7.0459  75.949  4.1933  4.520264       8.199340  
1 1 1 11  42  25 o 70.503  2.8171  2719.22    215.122  3116.85    577.086  2655.05    231.831  73.058  7.3947  69.599  3.0754  3.459099       8.008737  
1 1 1 11  42  26 o 35.614  2.3699  696.199    90.895   1476.70    489.239  668.296    92.505   48.033  9.7374  34.870  2.4652  13.16216       10.04456  
1 1 1 11  42  27 o 25.371  1.9925  353.897    54.311   521.212    468.463  351.618    54.679   28.326  10.875  25.284  2.0133  3.041756       11.05981  
1 1 1 11  42  28 o 23.043  8.8371  313.038    309.127  0.0000     0.0000   313.038    309.127  ?       ?       23.043  8.8371  0.000000       8.837118  
1 1 1 11  42  29 o 16.542  7.7448  -175.2800  347.314  0.0000     0.0000   -175.2800  347.314  ?       ?       16.542  7.7448  0.000000       7.744840  
1 1 1 11  42  30 o 22.296  9.2935  292.172    372.688  0.0000     0.0000   292.172    372.688  ?       ?       22.296  9.2935  0.000000       9.293485  
1 1 1 11  42  31 o 23.789  10.165  388.166    464.296  0.0000     0.0000   388.166    464.296  ?       ?       23.789  10.165  0.000000       10.16546  
1 1 1 11  43  0  o 73.754  2.5031  2947.01    199.957  2703.38    261.308  3291.21    310.601  70.629  3.4159  77.926  3.6800  -7.297012      5.021042  
1 1 1 11  43  1  o 159.059 4.7747  13720.22   822.580  13987.64   1163.71  13453.18   1162.90  160.493 6.6945  157.389 6.8218  3.104279       9.557857  
1 1 1 11  43  2  o 314.067 8.6293  53666.98   2935.42  45984.43   5194.34  57271.66   3558.04  288.431 16.699  324.158 10.134  -35.72763      19.53315  
1 1 1 11  43  3  o 264.354 6.7674  37956.78   1937.66  38381.11   2740.70  37532.72   2739.82  265.445 9.5327  262.478 9.6374  2.966949       13.55549  
1 1 1 11  43  4  o 56.458  4.5142  1739.57    273.736  1621.28    385.044  1860.46    389.232  54.227  6.6981  58.202  6.2737  -3.974518      9.177337  
1 1 1 11  43  5  o 141.613 4.5359  10875.70   695.724  10661.68   983.659  11089.94   984.146  140.110 6.4819  142.904 6.3583  -2.794006      9.079866  
1 1 1 11  43  6  o 93.285  3.6832  4717.22    372.144  4585.40    483.672  4908.49    582.612  91.810  4.8815  94.925  5.6930  -3.114807      7.499279  
1 1 1 11  43  7  o 205.596 5.6101  22944.99   1249.27  23221.31   1768.39  22669.71   1765.09  206.593 7.9030  204.115 7.9840  2.478180       11.23397  
1 1 1 11  43  8  o 184.173 5.2233  18408.46   1041.94  18635.21   1475.85  18183.13   1471.20  185.110 7.3611  182.844 7.4289  2.266251       10.45820  
1 1 1 11  43  9  o 110.846 2.7347  6658.15    328.318  7039.67    692.133  6547.38    372.948  113.862 5.6123  109.909 3.1329  3.953178       6.427490  
1 1 1 11  43  10 o 101.933 2.7329  5630.80    301.729  5978.79    656.014  5537.44    339.804  104.749 5.8049  101.074 3.1040  3.675072       6.582635  
1 1 1 11  43  11 o 148.417 3.2464  11941.88   521.868  11274.97   1074.80  12147.61   596.960  143.945 6.8938  149.668 3.6825  -5.722473      7.815755  
1 1 1 11  43  12 o 137.980 3.1614  10322.08   472.458  10468.91   976.878  10277.25   539.787  138.701 6.5026  137.655 3.6204  1.046036       7.442578  
1 1 1 11  43  13 o 208.545 4.0688  23604.65   919.054  23526.91   1856.01  23629.90   1057.85  207.490 8.2587  208.582 4.6825  -1.091812      9.493780  
1 1 1 11  43  14 o 152.212 3.2230  12568.02   531.351  13195.26   1085.48  12370.37   609.347  155.574 6.4419  150.968 3.7266  4.606491       7.442161  
1 1 1 11  43  15 o 126.756 2.9962  8717.08    411.347  9349.13    848.387  8522.83    470.330  130.915 5.9832  125.298 3.4657  5.618050       6.914449  
1 1 1 11  43  16 o 147.084 3.1531  11745.59   502.317  13535.18   1023.13  11177.22   576.594  157.370 6.0026  143.411 3.7121  13.95874       7.057638  
1 1 1 11  43  17 o 134.248 3.0439  9789.68    442.597  11311.09   929.733  9343.86    503.284  143.687 5.9741  131.085 3.5448  12.60143       6.946588  
1 1 1 11  43  18 o 149.429 3.8972  12166.52   630.755  11620.98   1100.70  12433.27   769.665  145.056 7.0059  150.846 4.7108  -5.790070      8.442406  
1 1 1 11  43  19 o 105.566 3.0713  6062.37    351.173  6294.67    725.788  5991.37    401.272  106.624 6.3128  104.870 3.5328  1.754478       7.234080  
1 1 1 11  43  20 o 57.175  3.8406  1793.03    236.454  1804.69    497.261  1789.62    268.786  56.050  8.4539  57.011  4.3866  -0.9611206     9.524225  
1 1 1 11  43  21 o 93.146  3.2084  4731.08    323.688  4566.92    670.876  4780.89    369.548  90.153  6.9234  93.541  3.6475  -3.388466      7.825491  
1 1 1 11  43  22 o 28.310  6.8023  467.240    205.977  455.096    450.600  470.448    231.589  29.593  10.804  28.337  7.4478  1.255671       13.12269  
1 1 1 11  43  23 o 73.098  2.9246  2917.55    231.553  3195.75    587.828  2866.45    251.921  74.584  7.3733  72.394  3.2129  2.189919       8.042850  
1 1 1 11  43  24 o 40.029  5.5421  913.239    233.835  922.941    484.592  910.294    266.973  38.063  11.082  39.632  6.4406  -1.569313      12.81768  
1 1 1 11  43  25 o 25.777  7.5595  396.437    224.766  443.518    460.676  381.728    257.494  28.638  10.834  25.489  8.2076  3.148920       13.59193  
1 1 1 11  43  26 o 24.309  7.7475  355.009    229.887  197.824    463.876  406.181    264.676  24.397  10.282  25.823  8.3219  -1.425741      13.22740  
1 1 1 11  43  27 o 35.127  6.7322  759.569    246.807  891.034    487.611  714.289    286.172  34.622  11.306  33.222  8.0397  1.399155       13.87309  
1 1 1 11  43  28 o 29.412  9.6551  612.123    355.433  0.0000     0.0000   612.123    355.433  ?       ?       29.412  9.6551  0.000000       9.655074  
1 1 1 11  43  29 o 61.258  6.6778  2348.45    435.884  0.0000     0.0000   2348.45    435.884  ?       ?       61.258  6.6778  0.000000       6.677796  
1 1 1 11  43  30 o 41.931  9.2029  1282.91    406.485  0.0000     0.0000   1282.91    406.485  ?       ?       41.931  9.2029  0.000000       9.202853  
1 1 1 11  43  31 f 18.339  8.6453  -130.4158  445.949  0.0000     0.0000   -130.4158  445.949  ?       ?       18.339  8.6453  0.000000       8.645328  
1 1 1 11  44  0  o 249.106 4.6856  33651.63   1264.20  32960.45   1925.39  34175.43   1676.12  246.302 7.2174  250.911 6.1676  -4.608673      9.493677  
1 1 1 11  44  1  o 145.538 4.5573  11485.82   718.386  10189.65   1014.88  12787.49   1017.03  136.967 6.8411  153.482 6.1179  -16.51501      9.177674  
1 1 1 11  44  2  o 346.731 8.4906  65408.00   3188.61  62238.13   4508.29  68580.94   4510.46  337.363 12.338  354.295 11.754  -16.93207      17.04060  
1 1 1 11  44  3  o 199.177 6.1066  21536.85   1317.37  20565.04   2176.84  22098.43   1654.79  193.909 10.403  201.624 7.5776  -7.715744      12.86998  
1 1 1 11  44  4  o 345.136 9.9610  64941.33   3723.62  64911.25   6673.49  64954.93   4487.04  342.008 18.080  344.649 12.020  -2.640717      21.71088  
1 1 1 11  44  5  o 273.585 6.9504  40671.18   2059.55  41871.36   2914.12  39473.44   2911.17  277.149 9.7079  269.044 9.9902  8.104919       13.93008  
1 1 1 11  44  6  o 372.137 9.0788  75447.23   3659.32  71681.55   5175.63  79211.23   5174.49  361.526 13.218  380.270 12.563  -18.74451      18.23577  
1 1 1 11  44  7  o 139.803 4.7498  10602.67   719.222  10366.12   1082.85  10789.41   962.093  137.886 7.2764  140.937 6.3026  -3.051025      9.626520  
1 1 1 11  44  8  o 135.946 4.4635  10024.76   657.228  10410.39   932.608  9644.30    926.344  138.432 6.2200  133.227 6.4196  5.204330       8.938709  
1 1 1 11  44  9  o 105.201 2.8059  5997.63    319.720  5611.46    675.350  6109.18    362.972  101.438 6.1764  106.165 3.1566  -4.727654      6.936262  
1 1 1 11  44  10 o 229.407 4.2559  28550.34   1057.47  29434.49   2136.23  28263.36   1217.05  232.330 8.4893  228.184 4.9244  4.146317       9.814156  
1 1 1 11  44  11 o 55.177  2.7420  1650.05    163.867  2099.89    422.478  1570.40    177.785  61.810  6.4035  53.736  3.0673  8.074413       7.100243  
1 1 1 11  44  12 o 163.866 3.4010  14562.11   603.629  14783.16   1234.11  14492.59   692.062  164.745 6.9163  163.438 3.9095  1.307083       7.944780  
1 1 1 11  44  13 o 298.376 5.2288  48399.55   1689.81  50072.52   3393.47  47847.93   1948.59  301.785 10.382  296.473 6.0683  5.312469       12.02527  
1 1 1 11  44  14 o 200.932 4.1554  21929.36   904.329  20868.50   1726.31  22330.59   1061.66  195.185 8.1658  202.655 4.8368  -7.469849      9.490812  
1 1 1 11  44  15 o 235.379 4.3732  30128.89   1114.91  28151.13   2242.01  30778.64   1285.06  225.937 9.1618  237.754 4.9903  -11.81700      10.43271  
1 1 1 11  44  16 o 84.287  2.6965  3855.00    246.164  3811.86    526.949  3867.04    278.410  83.302  5.8781  84.395  3.0458  -1.093277      6.620371  
1 1 1 11  44  17 o 24.716  4.9643  345.386    128.280  295.725    493.388  348.987    132.848  28.382  11.087  24.827  5.1108  3.555891       12.20872  
1 1 1 11  44  18 o 67.478  2.8454  2474.28    207.959  2459.36    520.014  2477.12    226.892  66.254  7.3716  67.495  3.1037  -1.241249      7.998297  
1 1 1 11  44  19 o 95.878  3.5718  5009.54    370.914  4696.45    667.298  5149.53    446.193  91.866  6.7538  97.083  4.2433  -5.217010      7.976201  
1 1 1 11  44  20 o 59.079  3.6993  1912.86    235.516  2175.50    505.071  1839.89    266.232  61.872  7.7037  57.819  4.2817  4.052944       8.813609  
1 1 1 11  44  21 o 140.402 3.3883  10760.33   515.257  11442.93   1038.54  10537.45   593.446  143.156 6.6980  138.745 3.9491  4.411255       7.775485  
1 1 1 11  44  22 o 30.260  6.4982  531.376    206.620  282.025    455.325  596.038    231.868  26.731  10.587  31.984  6.8962  -5.252541      12.63476  
1 1 1 11  44  23 o 28.330  7.5687  475.183    236.654  299.466    556.135  514.037    261.513  28.327  11.532  29.391  8.0004  -1.064167      14.03545  
1 1 1 11  44  24 o 23.083  1.5865  290.757    39.424   490.631    452.128  289.225    39.575   29.626  10.822  23.021  1.5971  6.605171       10.93896  
1 1 1 11  44  25 o 3.2965  1.6712  -110.2197  30.397   249.049    447.479  -111.8851  30.467   25.323  10.331  3.2831  1.6654  22.04005       10.46404  
1 1 1 11  44  26 o 8.8226  2.9129  40.920     32.334   -362.6531  450.071  43.013     32.418   18.225  8.6203  8.9801  2.9143  9.244973       9.099626  
1 1 1 11  44  27 o ?       ?       -315.8501  36.632   -354.7109  451.837  -315.5930  36.753   17.852  8.4996  ?       ?       0.000000       8.499551  
1 1 1 11  44  28 o 25.786  9.4924  443.652    348.834  0.0000     0.0000   443.652    348.834  ?       ?       25.786  9.4924  0.000000       9.492425  
1 1 1 11  44  29 o 39.334  9.2561  1107.04    387.765  0.0000     0.0000   1107.04    387.765  ?       ?       39.334  9.2561  0.000000       9.256068  
1 1 1 11  44  30 o 25.372  9.7621  484.664    378.004  0.0000     0.0000   484.664    378.004  ?       ?       25.372  9.7621  0.000000       9.762069  
1 1 1 11  45  0  o 250.215 4.5911  33950.86   1244.22  32589.11   1759.82  35311.89   1759.37  244.966 6.6327  255.022 6.3695  -10.05589      9.195867  
1 1 1 11  45  1  o 342.436 8.4031  63793.70   3116.65  65773.49   4408.62  61815.70   4406.61  346.962 11.731  336.267 12.099  10.69522       16.85266  
1 1 1 11  45  2  f 264.438 6.7623  37983.20   1936.82  36938.10   2737.64  39030.51   2740.53  260.361 9.7080  267.676 9.4527  -7.315491      13.54986  
1 1 1 11  45  3  o 428.759 10.277  100262.00  4772.50  105920.30  6750.98  94609.25   6747.70  439.293 14.189  414.842 15.018  24.45016       20.66034  
1 1 1 11  45  4  o 241.109 6.2847  31568.36   1641.22  33577.42   2322.80  29565.37   2319.29  248.363 8.6348  232.974 9.1913  15.38933       12.61112  
1 1 1 11  45  5  o 167.198 4.9380  15165.65   894.232  14946.66   1265.05  15384.36   1264.22  165.837 7.0429  168.257 6.9372  -2.419586      9.885695  
1 1 1 11  45  6  o 245.353 7.2517  32727.96   1927.09  31253.81   3311.59  33482.77   2369.64  238.432 12.871  247.934 8.8242  -9.501923      15.60548  
1 1 1 11  45  7  o 266.105 6.8149  38487.46   1964.19  37907.93   2779.24  39065.78   2776.34  263.600 9.7344  267.626 9.5780  -4.026672      13.65640  
1 1 1 11  45  8  o 238.504 6.2541  30906.44   1615.60  30926.71   2287.01  30886.24   2282.59  238.191 8.8649  238.037 8.8535  0.1539001      12.52875  
1 1 1 11  45  9  f 244.008 4.3742  32300.13   1156.05  31919.25   2328.17  32424.78   1331.84  241.910 8.8857  244.410 5.0311  -2.500275      10.21113  
1 1 1 11  45  10 o 116.525 2.8093  7358.91    354.557  9070.90    760.301  6883.14    400.807  129.233 5.4318  112.679 3.2841  16.55437       6.347419  
1 1 1 11  45  11 o 166.984 3.5113  15120.93   635.052  14711.55   1511.11  15208.74   699.854  163.945 8.5395  167.444 3.8589  -3.499252      9.370952  
1 1 1 11  45  12 o 178.180 3.5704  17221.06   689.035  17543.60   1403.77  17118.68   790.863  179.395 7.2246  177.603 4.1113  1.791397       8.312517  
1 1 1 11  45  13 o 100.621 2.8633  5489.73    312.053  5570.98    665.135  5466.79    353.355  100.960 6.1114  100.393 3.2497  0.5671082      6.921710  
1 1 1 11  45  14 o 189.847 3.7282  19568.88   766.602  20456.21   1552.16  19282.59   881.637  193.371 7.4109  188.370 4.3212  5.001007       8.578765  
1 1 1 11  45  15 o 194.154 3.8005  20483.08   799.202  20875.32   1615.47  20355.97   919.623  195.009 7.6485  193.443 4.3892  1.566223       8.818396  
1 1 1 11  45  16 o 93.246  2.5855  4717.95    261.119  6061.42    585.319  4384.14    291.761  105.389 5.1278  89.856  2.9978  15.53224       5.939793  
1 1 1 11  45  17 o 32.046  1.6117  558.081    55.762   596.113    414.302  557.380    56.274   32.707  10.398  32.025  1.6277  0.6823006      10.52490  
1 1 1 11  45  18 o 47.276  4.7703  1234.51    240.924  1612.79    447.300  1079.93    285.946  53.289  7.9965  43.879  6.1886  9.410839       10.11152  
1 1 1 11  45  19 o 66.083  3.8165  2390.35    272.002  1985.73    506.943  2553.93    322.328  59.061  8.1411  68.200  4.3869  -9.138123      9.247833  
1 1 1 11  45  20 o 64.394  2.5380  2254.50    177.011  1962.96    503.912  2295.54    189.059  58.519  8.1735  64.962  2.6870  -6.442772      8.603841  
1 1 1 11  45  21 o 18.651  6.8481  159.398    181.390  216.744    446.883  148.086    198.475  25.745  10.389  18.793  7.1109  6.951973       12.58946  
1 1 1 11  45  22 o 30.157  1.5783  494.914    51.375   721.462    456.098  492.003    51.704   34.627  10.899  30.067  1.5934  4.559559       11.01519  
1 1 1 11  45  23 o 93.291  3.2871  4764.81    332.147  4547.44    685.340  4831.54    379.721  89.110  7.1613  93.794  3.7378  -4.683907      8.078108  
1 1 1 11  45  24 o 18.046  7.1817  112.431    210.467  -36.2519   450.501  153.943    238.041  21.917  9.6783  19.693  7.6991  2.223589       12.36706  
1 1 1 11  45  25 o 41.675  5.5679  997.279    245.042  1225.89    496.483  923.657    281.750  43.419  10.640  39.537  6.8263  3.882408       12.64179  
1 1 1 11  45  26 o 17.153  7.1842  68.050     224.225  222.365    458.743  19.610     257.019  24.342  10.240  17.238  7.4665  7.104488       12.67275  
1 1 1 11  45  27 o 20.097  8.1394  177.527    275.389  0.0000     0.0000   177.527    275.389  ?       ?       20.097  8.1394  0.000000       8.139358  
1 1 1 11  45  28 o 35.927  9.3161  907.593    365.555  0.0000     0.0000   907.593    365.555  ?       ?       35.927  9.3161  0.000000       9.316111  
1 1 1 11  45  29 f 20.762  8.8605  183.545    351.908  0.0000     0.0000   183.545    351.908  ?       ?       20.762  8.8605  0.000000       8.860453  
1 1 1 11  45  30 o 24.554  9.6263  438.330    372.933  0.0000     0.0000   438.330    372.933  ?       ?       24.554  9.6263  0.000000       9.626307  
1 1 1 11  46  0  f 186.052 3.8502  18764.26   775.865  18999.33   1097.92  18529.77   1096.56  187.125 5.4171  184.794 5.4787  2.330917       7.704599  
1 1 1 11  46  1  o 108.075 3.2785  6329.90    383.773  6919.48    668.040  6039.49    468.862  112.925 5.4619  105.545 4.1014  7.379364       6.830387  
1 1 1 11  46  2  o 112.248 4.1818  6831.39    508.415  6324.52    712.411  7357.48    725.790  107.758 6.1293  116.429 5.7554  -8.671242      8.407927  
1 1 1 11  46  3  o 120.914 4.2977  7927.63    562.840  7429.56    793.762  8431.29    798.209  116.800 6.2977  124.625 5.9135  -7.824738      8.638898  
1 1 1 11  46  4  o 295.387 7.3907  47435.08   2364.53  41852.57   3343.03  53023.77   3344.88  276.782 11.151  311.826 9.9037  -35.04434      14.91439  
1 1 1 11  46  5  o 162.559 5.2603  14339.76   926.171  13819.63   1456.16  14693.13   1200.23  159.105 8.4806  164.444 6.7387  -5.339005      10.83194  
1 1 1 11  46  6  o 231.066 6.1126  28996.34   1529.79  28246.49   2164.62  29744.55   2162.26  227.717 8.7764  233.713 8.5419  -5.996323      12.24704  
1 1 1 11  46  7  o 77.840  3.2819  3284.13    276.694  3498.27    334.806  2822.77    491.433  80.324  3.8484  71.798  6.3862  8.526756       7.456096  
1 1 1 11  46  8  o 209.238 6.4498  23795.26   1461.70  23808.87   2446.17  23787.70   1822.95  208.332 10.879  208.995 8.0532  -0.6628113     13.53501  
1 1 1 11  46  9  o 175.233 3.5795  16649.45   679.373  16887.27   1643.42  16600.43   746.110  175.969 8.6226  174.953 3.9374  1.016418       9.479090  
1 1 1 11  46  10 o 277.876 4.9401  41920.03   1486.81  41396.36   2991.63  42091.80   1713.39  275.068 10.041  278.333 5.6836  -3.264862      11.53837  
1 1 1 11  46  11 o 219.558 4.0457  26155.87   962.081  27561.40   1946.49  25701.50   1106.72  224.759 7.9958  217.571 4.6964  7.187775       9.273067  
1 1 1 11  46  12 o 233.835 4.3062  29685.29   1090.62  31424.93   2201.44  29119.46   1255.52  239.734 8.4783  231.495 5.0074  8.239380       9.846583  
1 1 1 11  46  13 o 18.585  5.0402  193.981    104.020  236.448    326.258  189.176    109.747  24.222  9.1284  18.427  5.2466  5.795218       10.52878  
1 1 1 11  46  14 o 159.680 3.2955  13838.49   569.951  15905.78   1164.45  13187.21   653.594  170.701 6.2982  155.813 3.8729  14.88777       7.393687  
1 1 1 11  46  15 o 141.896 3.1574  10930.90   485.263  10699.27   993.892  11003.40   556.045  139.813 6.5633  142.312 3.6074  -2.499741      7.489353  
1 1 1 11  46  16 o 157.017 3.3022  13397.24   561.594  13732.96   1166.33  13295.91   640.765  158.099 6.8112  156.339 3.7841  1.759949       7.791752  
1 1 1 11  46  17 o 70.090  2.9144  2669.14    221.249  3215.09    522.005  2549.58    244.276  76.201  6.3836  68.471  3.2938  7.729179       7.183304  
1 1 1 11  46  18 o 23.394  7.3462  301.369    207.333  149.147    400.221  357.207    242.395  24.052  9.7862  25.381  7.9387  -1.328405      12.60132  
1 1 1 11  46  19 o 59.791  2.6745  1943.43    173.199  2195.06    489.417  1907.41    185.182  62.367  7.3889  59.216  2.8873  3.151470       7.932990  
1 1 1 11  46  20 o 78.966  3.1713  3398.39    271.239  3568.22    570.439  3348.77    308.324  79.808  6.6600  78.310  3.6351  1.497925       7.587505  
1 1 1 11  46  21 o 98.486  3.0920  5289.90    329.830  5849.79    691.413  5124.95    375.283  102.282 6.2715  96.823  3.5786  5.458084       7.220661  
1 1 1 11  46  22 o 37.264  5.3738  785.755    210.622  475.938    565.390  835.678    226.959  31.121  11.947  38.376  5.6275  -7.254467      13.20646  
1 1 1 11  46  23 o 82.130  3.3759  3696.56    300.302  3418.57    627.044  3779.30    342.084  76.829  7.6365  82.910  3.8094  -6.080719      8.533886  
1 1 1 11  46  24 o 72.304  2.8977  2859.72    226.929  3019.98    599.071  2832.87    245.202  71.747  7.8365  71.899  3.1487  -0.1519318     8.445456  
1 1 1 11  46  25 o 37.611  1.4993  768.638    61.074   358.179    477.248  775.472    61.581   27.183  10.816  37.777  1.5050  -10.59369      10.91975  
1 1 1 11  46  26 o 30.768  7.1507  586.097    233.768  869.497    485.656  500.634    266.697  34.975  11.273  28.032  8.2385  6.942951       13.96248  
1 1 1 11  46  27 o 31.697  1.9861  551.734    67.842   0.0000     0.0000   551.734    67.842   ?       ?       31.697  1.9861  0.000000       1.986136  
1 1 1 11  46  28 o 26.455  9.4902  482.463    345.648  0.0000     0.0000   482.463    345.648  ?       ?       26.455  9.4902  0.000000       9.490228  
1 1 1 11  46  29 o 27.537  9.7260  566.817    361.690  0.0000     0.0000   566.817    361.690  ?       ?       27.537  9.7260  0.000000       9.725976  
1 1 1 11  46  30 o 31.297  9.9460  776.677    379.073  0.0000     0.0000   776.677    379.073  ?       ?       31.297  9.9460  0.000000       9.945977  
1 1 1 11  47  0  o 196.699 3.8373  20973.56   817.516  21312.28   1156.64  20635.42   1155.65  198.186 5.3883  195.007 5.4715  3.178360       7.679272  
1 1 1 11  47  1  o 84.289  2.8449  3849.67    259.726  4304.03    482.915  3664.75    308.078  88.931  5.0342  82.229  3.4591  6.701927       6.108099  
1 1 1 11  47  2  o 264.857 7.7891  38148.29   2234.45  37189.35   3883.81  38622.73   2731.85  259.986 13.842  266.233 9.4738  -6.246429      16.77375  
1 1 1 11  47  3  o 180.156 5.5390  17614.72   1080.81  15703.21   1737.74  18820.68   1380.27  169.484 9.5048  186.115 6.8472  -16.63136      11.71433  
1 1 1 11  47  4  o 277.769 7.0539  41934.47   2122.20  40505.68   3001.56  43362.68   3000.94  272.469 10.171  281.984 9.8257  -9.515350      14.14182  
1 1 1 11  47  5  o 245.154 6.3814  32646.52   1694.45  33444.14   2397.86  31850.96   2394.76  247.770 8.9352  241.763 9.1454  6.007645       12.78579  
1 1 1 11  47  6  o 134.171 4.5632  9764.86    663.134  8946.54    979.016  10458.58   901.409  128.084 7.0846  138.772 5.9972  -10.68782      9.282134  
1 1 1 11  47  7  o 136.646 4.4954  10129.02   665.322  9541.88    942.441  10712.35   939.380  132.499 6.5671  140.420 6.1765  -7.920807      9.015294  
1 1 1 11  47  8  o 233.421 6.1740  29608.59   1560.91  28152.22   2209.16  31060.50   2205.76  227.171 8.9785  238.701 8.5317  -11.52985      12.38558  
1 1 1 11  47  9  o 115.575 2.7811  7239.19    348.142  7320.16    733.217  7215.62    395.577  115.923 5.8587  115.373 3.1656  0.5495758      6.659255  
1 1 1 11  47  10 o 57.950  2.7360  1820.09    171.723  1355.67    445.914  1900.95    186.075  49.120  8.7000  59.220  2.9010  -10.10055      9.170966  
1 1 1 11  47  11 o 119.086 2.8801  7687.82    371.477  9050.16    788.796  7299.56    421.097  129.022 5.6446  116.019 3.3511  13.00251       6.564362  
1 1 1 11  47  12 o 121.669 2.9248  8026.61    385.431  8658.17    809.543  7841.48    438.296  126.125 5.9261  120.234 3.3657  5.891418       6.815150  
1 1 1 11  47  13 o 68.886  2.2948  2572.13    171.214  2389.64    468.322  2600.29    183.948  65.847  6.6581  69.257  2.4522  -3.410591      7.095332  
1 1 1 11  47  14 o 177.396 3.6021  17090.01   692.109  15217.75   1402.61  17692.61   795.731  166.548 7.7754  180.426 4.0719  -13.87817      8.777122  
1 1 1 11  47  15 o 184.639 3.5955  18526.26   719.047  19483.44   1456.06  18217.55   826.910  188.395 7.1358  182.984 4.1723  5.410522       8.266025  
1 1 1 11  47  16 o 88.936  2.7379  4294.24    263.736  5408.04    615.524  4043.78    291.887  99.222  5.7522  86.271  3.1238  12.95057       6.545684  
1 1 1 11  47  17 o 48.252  3.2859  1272.15    170.704  1665.41    449.453  1205.86    184.531  54.260  7.8779  46.921  3.6600  7.339359       8.686619  
1 1 1 11  47  18 o 124.802 3.6459  8487.38    492.830  8694.25    877.274  8391.99    595.716  125.321 6.4853  123.914 4.4386  1.406677       7.858812  
1 1 1 11  47  19 f 19.851  7.3452  175.559    209.345  81.947     396.267  211.800    246.560  22.832  9.5557  21.606  7.9760  1.226192       12.44695  
1 1 1 11  47  20 o 57.010  3.7292  1783.33    228.999  1767.63    482.335  1787.90    260.194  55.383  8.2962  56.974  4.2470  -1.590382      9.320066  
1 1 1 11  47  21 o 20.939  7.1757  229.630    196.077  382.682    399.397  181.028    225.066  27.658  10.161  20.251  7.5916  7.406712       12.68359  
1 1 1 11  47  22 o 25.498  6.8374  379.849    192.704  248.718    457.688  408.104    212.453  26.134  10.525  26.389  7.2226  -0.2556629     12.76480  
1 1 1 11  47  23 o 51.982  4.2846  1501.87    239.085  911.160    513.981  1664.97    270.083  37.877  11.510  54.643  4.6064  -16.76604      12.39799  
1 1 1 11  47  24 o 78.101  3.4890  3352.90    295.138  3900.53    619.783  3192.30    335.637  82.153  7.0332  75.891  4.0985  6.261948       8.140214  
1 1 1 11  47  25 o 42.876  5.2747  1052.70    239.789  1103.41    504.201  1037.88    272.589  40.539  11.140  42.173  6.1485  -1.633835      12.72376  
1 1 1 11  47  26 o 20.699  7.6396  232.491    226.178  487.292    472.203  156.628    257.657  27.982  10.870  19.582  7.8932  8.399925       13.43363  
1 1 1 11  47  27 o 28.605  9.2911  558.995    329.462  0.0000     0.0000   558.995    329.462  ?       ?       28.605  9.2911  0.000000       9.291092  
1 1 1 11  47  28 o 35.732  9.8476  930.369    393.353  0.0000     0.0000   930.369    393.353  ?       ?       35.732  9.8476  0.000000       9.847590  
1 1 1 11  47  29 o 20.828  9.0979  159.008    388.387  0.0000     0.0000   159.008    388.387  ?       ?       20.828  9.0979  0.000000       9.097941  
1 1 1 11  47  30 o 16.906  7.8568  -101.6084  346.892  0.0000     0.0000   -101.6084  346.892  ?       ?       16.906  7.8568  0.000000       7.856820  
1 1 1 11  48  0  o 284.996 5.1917  44068.09   1602.57  44273.86   2266.85  43862.50   2265.92  285.398 7.3333  284.065 7.3647  1.333405       10.39310  
1 1 1 11  48  1  o 213.641 4.0554  24746.14   938.394  23135.94   1327.30  26355.30   1326.88  206.439 5.9362  220.368 5.5592  -13.92845      8.132833  
1 1 1 11  48  2  o 148.661 5.0631  11990.07   815.246  11320.73   1070.77  12913.19   1257.47  144.344 6.8490  154.109 7.5336  -9.764984      10.18150  
1 1 1 11  48  3  o 88.720  4.1188  4267.90    395.792  4199.84    555.765  4337.93    563.790  87.758  5.8810  89.197  5.8685  -1.438835      8.308165  
1 1 1 11  48  4  o 117.144 4.2770  7441.66    542.663  6507.43    765.496  8385.46    769.403  109.256 6.4981  124.285 5.7156  -15.02870      8.654155  
1 1 1 11  48  5  o 187.017 5.2790  18981.96   1069.32  19987.95   1514.03  17980.71   1510.45  191.722 7.2911  181.801 7.6708  9.921051       10.58310  
1 1 1 11  48  6  o 244.378 6.3691  32448.98   1685.81  33180.99   2385.85  31719.13   2382.33  246.726 8.9281  241.196 9.1193  5.529999       12.76215  
1 1 1 11  48  7  o 197.564 5.4845  21193.09   1173.58  20417.86   1661.29  21965.35   1658.10  193.642 7.9209  200.887 7.6206  -7.244827      10.99160  
1 1 1 11  48  8  o 453.571 7.9555  112072.20  3908.25  123603.00  9241.66  109561.00  4312.89  470.549 18.133  448.133 8.8857  22.41537       20.19332  
1 1 1 11  48  9  o 137.506 2.7802  10247.59   414.069  12674.20   865.041  9526.34    471.607  152.772 5.2279  132.558 3.2848  20.21335       6.174149  
1 1 1 11  48  10 o 128.648 2.9599  8971.88    412.427  9675.96    864.118  8764.18    469.333  133.395 5.9808  127.130 3.4085  6.265480       6.883923  
1 1 1 11  48  11 o 168.574 3.5942  15415.25   656.235  15012.02   1573.44  15500.17   722.030  165.432 8.8131  169.009 3.9444  -3.576355      9.655491  
1 1 1 11  48  12 o 118.409 2.8566  7602.47    366.357  8518.22    775.478  7339.37    415.668  125.101 5.7232  116.318 3.2994  8.783615       6.606107  
1 1 1 11  48  13 o 85.286  2.7333  3944.67    252.490  4405.73    559.289  3826.65    282.966  89.731  5.7855  83.984  3.1108  5.747803       6.568808  
1 1 1 11  48  14 o 187.056 3.8677  19014.38   783.605  19407.21   1508.72  18869.27   916.991  188.117 7.4047  186.219 4.5464  1.898621       8.689076  
1 1 1 11  48  15 o 24.653  1.5584  330.677    41.397   101.946    322.015  334.521    41.744   21.492  8.7652  24.796  1.5623  -3.303892      8.903307  
1 1 1 11  48  16 o 137.546 3.1263  10281.21   465.750  11508.53   964.675  9908.17    531.843  144.807 6.1507  134.945 3.6388  9.861954       7.146414  
1 1 1 11  48  17 o 91.626  2.5052  4558.56    248.618  4794.15    618.106  4513.08    271.553  93.152  6.1611  91.143  2.7508  2.008965       6.747297  
1 1 1 11  48  18 o 53.573  4.3529  1578.64    250.392  1499.17    473.026  1609.58    295.131  50.985  8.8891  53.943  5.1124  -2.957962      10.25439  
1 1 1 11  48  19 o 85.263  3.6571  3967.64    337.732  3485.68    608.534  4182.17    405.999  78.742  7.2155  87.411  4.2883  -8.668930      8.393626  
1 1 1 11  48  20 o 83.766  2.7825  3819.64    252.449  2833.94    597.570  4033.77    278.523  70.466  7.9697  86.048  2.9885  -15.58203      8.511594  
1 1 1 11  48  21 f 34.562  5.7769  680.471    208.621  597.559    424.303  706.906    239.581  32.086  10.550  35.018  6.5577  -2.931763      12.42191  
1 1 1 11  48  22 o 35.683  5.9008  728.995    220.090  576.598    451.524  776.488    252.062  31.596  10.886  36.627  6.5965  -5.030149      12.72849  
1 1 1 11  48  23 o 57.228  2.7039  1787.98    167.599  1614.36    544.455  1806.16    176.153  51.060  10.202  57.496  2.8287  -6.436001      10.58669  
1 1 1 11  48  24 o 36.189  6.3422  764.249    239.526  582.958    486.447  822.272    275.200  31.299  11.255  37.267  7.0768  -5.967493      13.29513  
1 1 1 11  48  25 o 36.033  6.4323  770.184    241.829  1122.65    491.290  657.476    277.816  40.828  10.904  32.559  7.9476  8.268566       13.49302  
1 1 1 11  48  26 o 57.728  4.5853  1903.61    284.335  1865.31    550.099  1917.57    332.144  52.411  10.056  57.369  5.4092  -4.958252      11.41886  
1 1 1 11  48  27 f 18.614  8.1378  46.230     311.312  0.0000     0.0000   46.230     311.312  ?       ?       18.614  8.1378  0.000000       8.137789  
1 1 1 11  48  28 o 20.534  8.6494  174.641    328.044  0.0000     0.0000   174.641    328.044  ?       ?       20.534  8.6494  0.000000       8.649386  
1 1 1 11  48  29 o 34.312  9.5121  879.150    365.790  0.0000     0.0000   879.150    365.790  ?       ?       34.312  9.5121  0.000000       9.512104  
1 1 1 11  48  30 o 17.151  7.9027  -63.8454   339.932  0.0000     0.0000   -63.8454   339.932  ?       ?       17.151  7.9027  0.000000       7.902693  
1 1 1 11  49  0  o 132.962 2.9360  9579.92    422.818  9940.37    590.523  9200.73    605.675  135.404 4.0266  130.259 4.2930  5.145111       5.885823  
1 1 1 11  49  1  o 296.480 5.3985  47701.16   1733.57  46257.89   2451.78  49144.09   2451.50  291.638 7.7619  300.637 7.5287  -8.998505      10.81332  
1 1 1 11  49  2  o 200.055 5.5038  21721.21   1192.56  20730.92   1683.86  22717.82   1689.22  195.209 7.9641  204.387 7.6307  -9.178741      11.02967  
1 1 1 11  49  3  o 113.741 4.2102  7015.27    518.668  5846.18    728.833  8214.85    738.272  103.533 6.5330  123.023 5.5406  -19.49039      8.566150  
1 1 1 11  49  4  o 325.469 9.6339  57775.69   3396.12  61808.57   6058.66  55927.98   4100.96  333.833 16.810  319.643 11.845  14.19034       20.56438  
1 1 1 11  49  5  o 196.432 5.4612  20946.06   1161.89  19476.71   1643.51  22414.15   1642.81  189.155 8.0221  202.987 7.4722  -13.83241      10.96300  
1 1 1 11  49  6  o 171.257 5.0637  15917.79   939.262  16492.93   1322.72  15332.80   1333.99  174.149 7.0126  167.880 7.3364  6.269653       10.14883  
1 1 1 11  49  7  o 203.479 5.5858  22486.15   1231.05  22859.06   1743.44  22115.36   1738.51  204.875 7.8568  201.499 7.9659  3.376083       11.18858  
1 1 1 11  49  8  o 108.221 2.8421  6347.43    333.130  6427.97    613.389  6313.74    396.740  108.805 5.2049  107.915 3.3943  0.8902512      6.213922  
1 1 1 11  49  9  o 347.833 5.5279  65736.18   2082.57  75172.29   4182.27  62625.00   2401.48  370.416 10.424  339.281 6.5350  31.13422       12.30349  
1 1 1 11  49  10 o 258.035 4.6171  36150.04   1290.37  35611.99   2590.20  36327.66   1488.18  255.091 9.3749  258.561 5.3140  -3.469666      10.77627  
1 1 1 11  49  11 o 196.016 3.6644  20846.57   777.969  23891.13   1584.30  19879.16   893.056  209.327 6.9878  191.345 4.3091  17.98212       8.209615  
1 1 1 11  49  12 o 109.134 2.8085  6458.43    331.980  6763.19    706.904  6372.20    376.025  111.280 5.8860  108.382 3.2032  2.898651       6.701161  
1 1 1 11  49  13 o 36.454  3.1942  726.667    124.846  434.506    356.118  767.606    133.306  28.877  9.6715  37.460  3.3199  -8.583698      10.22547  
1 1 1 11  49  14 o 73.987  2.7582  2970.12    221.031  2502.29    493.330  3087.62    247.235  67.244  6.8700  75.422  3.0265  -8.178322      7.507139  
1 1 1 11  49  15 o 90.938  2.7666  4489.02    272.500  5665.12    634.837  4223.38    301.709  101.595 5.7932  88.175  3.1592  13.42049       6.598638  
1 1 1 11  49  16 o 88.560  2.8227  4259.98    270.753  4540.74    613.664  4192.11    301.706  90.694  6.2860  87.818  3.1720  2.875885       7.040929  
1 1 1 11  49  17 o 67.886  2.9243  2505.10    215.020  2949.30    520.937  2413.88    236.068  72.802  6.6811  66.608  3.2722  6.194420       7.439354  
1 1 1 11  49  18 o 139.091 3.8275  10554.96   576.613  10623.49   1015.35  10522.34   700.540  138.456 6.7707  138.627 4.6657  -0.1703949     8.222555  
1 1 1 11  49  19 o 63.270  2.8368  2178.39    194.404  1812.31    509.758  2240.69    210.298  56.028  8.6810  64.147  3.0268  -8.119755      9.193586  
1 1 1 11  49  20 o 56.386  3.7343  1745.76    226.768  1667.14    481.548  1768.16    257.055  53.569  8.5898  56.642  4.2203  -3.072701      9.570605  
1 1 1 11  49  21 o 49.016  2.2243  1306.42    118.085  1149.13    456.767  1317.68    122.241  43.582  9.9016  49.221  2.2930  -5.638794      10.16367  
1 1 1 11  49  22 o 52.445  4.1273  1522.95    232.551  1616.31    470.685  1492.80    267.478  52.244  8.6187  51.712  4.8316  0.5317688      9.880624  
1 1 1 11  49  23 o 25.263  7.5300  374.880    221.534  370.356    470.098  376.171    251.172  27.872  10.841  25.454  8.0968  2.418310       13.53072  
1 1 1 11  49  24 o 46.074  4.6646  1194.27    229.565  1463.32    506.487  1124.71    257.538  48.161  10.035  44.390  5.4724  3.771080       11.43026  
1 1 1 11  49  25 o 19.571  1.5653  209.673    32.903   121.902    467.401  210.110    32.985   23.394  10.101  19.592  1.5676  3.802143       10.22173  
1 1 1 11  49  26 o 35.191  1.9928  679.194    75.644   0.0000     0.0000   679.194    75.644   ?       ?       35.191  1.9928  0.000000       1.992766  
1 1 1 11  49  27 o 49.618  6.9081  1523.65    361.179  0.0000     0.0000   1523.65    361.179  ?       ?       49.618  6.9081  0.000000       6.908124  
1 1 1 11  49  28 o 23.393  9.0809  342.352    329.357  0.0000     0.0000   342.352    329.357  ?       ?       23.393  9.0809  0.000000       9.080905  
1 1 1 11  49  29 o 23.550  9.2411  371.697    343.956  0.0000     0.0000   371.697    343.956  ?       ?       23.550  9.2411  0.000000       9.241088  
1 1 1 11  50  0  o 247.924 4.5505  33336.86   1221.92  33554.39   1728.61  33119.61   1727.50  248.547 6.4212  246.928 6.4592  1.619873       9.107881  
1 1 1 11  50  1  o 314.012 5.2573  53506.90   1788.05  56280.43   2529.69  50737.80   2527.67  321.753 7.2590  305.436 7.6406  16.31741       10.53906  
1 1 1 11  50  2  o 178.300 3.7134  17234.17   717.127  17848.87   1254.80  16936.02   873.907  181.269 6.3912  176.704 4.5661  4.564407       7.854745  
1 1 1 11  50  3  o 69.387  2.5456  2608.60    191.312  2857.54    270.507  2359.49    270.607  72.607  3.4398  65.860  3.8098  6.746735       5.132901  
1 1 1 11  50  4  f 93.662  4.1695  4757.39    422.979  4650.79    597.608  4864.40    598.757  92.344  6.0077  94.463  5.8813  -2.119492      8.407288  
1 1 1 11  50  5  o 65.545  4.4516  2341.18    314.155  2791.52    444.920  1893.40    443.647  71.462  5.7983  58.576  7.1406  12.88623       9.198229  
1 1 1 11  50  6  o 36.176  6.4030  732.377    241.706  552.293    341.507  913.130    342.141  31.582  9.3342  40.230  8.1317  -8.647917      12.37953  
1 1 1 11  50  7  o 262.554 6.7477  37491.02   1918.88  37706.82   2716.00  37275.94   2711.43  262.751 9.5436  261.237 9.5828  1.514709       13.52448  
1 1 1 11  50  8  o 73.927  2.7905  2962.01    223.435  3543.04    443.832  2764.77    258.593  80.617  5.1094  71.411  3.3434  9.206696       6.106082  
1 1 1 11  50  9  o 145.750 3.0441  11516.38   480.555  12385.90   992.178  11249.88   549.283  150.916 6.0699  144.028 3.5211  6.887955       7.017269  
1 1 1 11  50  10 o 177.078 3.4671  17007.47   664.963  17309.42   1352.97  16911.30   763.547  178.220 7.0091  176.532 3.9934  1.687531       8.066874  
1 1 1 11  50  11 o 29.120  3.5189  466.750    108.734  202.329    359.421  493.388    114.080  24.341  9.4759  29.942  3.5893  -5.600487      10.13288  
1 1 1 11  50  12 o 33.021  1.2880  590.677    46.067   620.644    50.033   423.828    118.060  33.848  1.3648  27.642  4.0647  6.205778       4.287734  
1 1 1 11  50  13 o 117.186 2.8529  7450.12    362.102  7908.39    737.115  7304.36    415.720  120.422 5.6514  115.998 3.3089  4.424423       6.548846  
1 1 1 11  50  14 o 209.654 3.9213  23902.41   890.449  24228.29   1798.61  23796.61   1024.86  209.753 7.9170  209.046 4.5264  0.7062531      9.119572  
1 1 1 11  50  15 o 30.537  4.0966  516.727    132.075  292.652    427.563  540.364    138.867  27.130  10.396  31.219  4.2146  -4.088713      11.21755  
1 1 1 11  50  16 o 50.409  3.2374  1387.42    175.824  1286.47    467.497  1404.05    189.756  47.142  9.4845  50.680  3.4779  -3.538784      10.10207  
1 1 1 11  50  17 f 156.124 3.2996  13264.96   557.953  13640.97   1149.27  13149.00   638.212  157.103 6.7541  155.318 3.7938  1.784409       7.746663  
1 1 1 11  50  18 o 166.595 4.1629  15168.53   751.159  14867.25   1314.87  15314.49   915.205  163.310 7.4336  167.031 5.0588  -3.721924      8.991696  
1 1 1 11  50  19 o 90.153  3.6073  4436.71    352.230  4608.49    632.841  4359.62    423.970  90.872  6.4720  89.196  4.3885  1.676254       7.819625  
1 1 1 11  50  20 o 46.364  4.1779  1187.98    207.549  1182.49    451.966  1189.45    233.640  44.501  9.6546  46.264  4.7292  -1.762531      10.75065  
1 1 1 11  50  21 o 40.838  4.7867  932.696    207.710  595.369    436.869  1031.22    236.103  32.009  10.712  42.853  5.1929  -10.84380      11.90442  
1 1 1 11  50  22 o 64.883  2.7169  2296.75    190.928  2289.46    526.349  2297.86    204.882  62.668  7.9321  64.862  2.9164  -2.194160      8.451278  
1 1 1 11  50  23 o 61.272  3.7857  2073.97    250.008  1638.86    532.078  2197.24    283.219  51.576  9.8847  62.941  4.1783  -11.36516      10.73148  
1 1 1 11  50  24 o 24.657  7.2745  361.997    207.583  571.560    473.764  312.205    230.931  30.789  11.103  23.345  7.7882  7.443911       13.56249  
1 1 1 11  50  25 o 74.592  3.5815  3087.88    289.351  2966.22    612.438  3122.84    328.303  69.209  8.3379  74.648  4.0760  -5.438454      9.280900  
1 1 1 11  50  26 o 75.596  4.2029  3237.39    342.771  0.0000     0.0000   3237.39    342.771  ?       ?       75.596  4.2029  0.000000       4.202925  
1 1 1 11  50  27 o 19.034  8.4396  28.835     345.985  0.0000     0.0000   28.835     345.985  ?       ?       19.034  8.4396  0.000000       8.439567  
1 1 1 11  50  28 f 18.521  8.1643  54.314     319.217  0.0000     0.0000   54.314     319.217  ?       ?       18.521  8.1643  0.000000       8.164331  
1 1 1 11  50  29 o 24.360  9.3030  416.158    341.691  0.0000     0.0000   416.158    341.691  ?       ?       24.360  9.3030  0.000000       9.303041  
1 1 1 11  51  0  o 222.683 4.4498  26894.09   1073.23  26192.09   1626.78  27435.10   1428.11  219.535 6.8416  224.788 5.8657  -5.253082      9.011837  
1 1 1 11  51  1  o 149.407 3.1136  12097.63   503.845  12053.05   733.066  12137.54   693.657  149.069 4.5403  149.604 4.2809  -0.5346069     6.240196  
1 1 1 11  51  2  o 170.381 4.3811  15744.45   808.495  13875.07   1657.06  16328.50   926.223  159.204 9.6554  173.478 4.9295  -14.27382      10.84100  
1 1 1 11  51  3  o 148.810 4.6736  12013.37   753.279  13040.73   1063.78  10980.14   1066.82  154.929 6.3394  142.118 6.9306  12.81078       9.392646  
1 1 1 11  51  4  o 173.023 5.0556  16247.02   947.433  16699.90   1341.39  15796.19   1338.36  175.241 7.0672  170.415 7.2510  4.826080       10.12534  
1 1 1 11  51  5  o 302.457 7.5429  49789.60   2471.01  52888.34   3497.09  46699.93   3491.98  311.034 10.381  292.092 11.038  18.94214       15.15231  
1 1 1 11  51  6  o 292.143 7.3685  46450.32   2331.53  45711.71   3298.65  47187.72   3295.93  289.063 10.536  293.742 10.360  -4.678986      14.77587  
1 1 1 11  51  7  o 356.706 8.7727  69424.73   3389.31  65873.20   4794.52  72972.39   4791.91  346.011 12.793  364.465 12.139  -18.45389      17.63592  
1 1 1 11  51  8  o 292.056 4.8274  46309.31   1527.02  52084.45   2660.89  43473.37   1864.63  309.065 7.9489  282.761 6.0884  26.30396       10.01266  
1 1 1 11  51  9  o 57.972  1.7403  1820.66    109.272  2095.12    146.533  1476.85    164.006  62.181  2.1757  52.113  2.9174  10.06816       3.639343  
1 1 1 11  51  10 o 134.207 2.9648  9765.95    430.959  10781.84   893.203  9457.71    492.016  140.767 5.8584  132.044 3.4403  8.723053       6.793834  
1 1 1 11  51  11 o 88.668  2.6279  4262.48    252.375  4603.75    569.848  4179.21    281.487  91.777  5.7619  87.785  2.9605  3.992210       6.477958  
1 1 1 11  51  12 o 62.022  2.3272  2085.41    156.332  1926.59    452.405  2106.95    166.595  58.914  7.2424  62.337  2.4674  -3.423309      7.651185  
1 1 1 11  51  13 f 36.216  3.3562  718.251    130.156  463.809    355.323  757.682    139.878  29.475  9.6525  37.186  3.5146  -7.711432      10.27247  
1 1 1 11  51  14 o 99.328  2.8301  5355.35    304.472  5763.94    697.920  5259.31    338.368  102.386 6.3245  98.404  3.1747  3.982391       7.076613  
1 1 1 11  51  15 o 124.176 2.9468  8376.03    396.330  8559.00    847.784  8324.86    448.338  124.700 6.2973  123.742 3.3452  0.9576874      7.130661  
1 1 1 11  51  16 o 114.123 2.9343  7078.11    362.693  7489.84    780.480  6964.71    409.608  116.527 6.2063  113.146 3.3424  3.381317       7.049112  
1 1 1 11  51  17 o 44.950  3.7097  1108.64    178.994  818.476    456.378  1161.38    194.585  37.374  10.718  45.976  3.9458  -8.601799      11.42141  
1 1 1 11  51  18 o 72.322  3.7367  2862.12    291.709  2676.36    546.204  2936.24    345.037  68.880  7.4395  73.116  4.3771  -4.236488      8.631617  
1 1 1 11  51  19 o 35.843  6.0027  729.587    224.797  1089.83    433.239  596.866    262.966  42.864  9.5734  31.988  7.6857  10.87605       12.27687  
1 1 1 11  51  20 o 74.391  2.6264  3012.47    211.619  2767.28    552.809  3054.57    229.067  69.707  7.4368  74.879  2.8245  -5.171844      7.955083  
1 1 1 11  51  21 o 48.466  4.0100  1298.61    208.608  842.128    462.321  1415.31    233.757  37.024  10.837  50.532  4.3123  -13.50784      11.66369  
1 1 1 11  51  22 o 49.620  4.2063  1367.04    223.936  865.851    468.356  1515.58    254.969  37.184  10.915  52.155  4.5594  -14.97072      11.82857  
1 1 1 11  51  23 o 45.430  2.2247  1124.22    109.465  1118.29    459.307  1124.57    112.713  42.206  10.168  45.371  2.3012  -3.164555      10.42507  
1 1 1 11  51  24 o 73.264  2.7665  2940.13    219.525  3216.01    605.238  2898.34    235.567  73.564  7.7107  72.671  2.9928  0.8927155      8.271169  
1 1 1 11  51  25 o 47.485  4.9776  1295.26    252.195  842.030    522.987  1432.58    287.878  34.280  11.719  49.695  5.4371  -15.41533      12.91910  
1 1 1 11  51  26 o 22.640  9.0029  264.974    330.507  0.0000     0.0000   264.974    330.507  ?       ?       22.640  9.0029  0.000000       9.002851  
1 1 1 11  51  27 o 15.927  7.3839  -146.1688  303.564  0.0000     0.0000   -146.1688  303.564  ?       ?       15.927  7.3839  0.000000       7.383945  
1 1 1 11  51  28 o 19.670  8.4284  135.147    320.762  0.0000     0.0000   135.147    320.762  ?       ?       19.670  8.4284  0.000000       8.428432  
1 1 1 11  51  29 o 36.259  9.1925  960.420    361.505  0.0000     0.0000   960.420    361.505  ?       ?       36.259  9.1925  0.000000       9.192454  
1 1 1 11  52  0  f 338.816 6.0020  62343.18   2202.55  63925.50   3115.62  60762.36   3114.15  342.628 8.3956  333.997 8.6085  8.631500       12.02463  
1 1 1 11  52  1  o 324.530 5.9588  57196.75   2094.52  54151.36   2961.99  60242.62   2962.21  315.277 8.6740  332.637 8.2220  -17.35986      11.95156  
1 1 1 11  52  2  o 162.637 3.9454  14342.61   694.995  13431.43   1215.52  14785.17   847.125  157.161 7.1408  165.081 4.7378  -7.920349      8.569618  
1 1 1 11  52  3  o 121.018 4.3192  7943.66    566.135  7721.57    796.434  8170.49    804.905  119.056 6.1977  122.641 6.0595  -3.585052      8.667723  
1 1 1 11  52  4  o 355.844 10.154  69192.37   3913.46  66578.52   7025.28  70368.41   4712.31  344.825 18.882  358.166 12.147  -13.34146      22.45188  
1 1 1 11  52  5  o 286.752 7.2345  44741.16   2246.92  46417.36   3179.90  43069.74   3175.36  291.430 10.074  280.628 10.447  10.80191       14.51307  
1 1 1 11  52  6  o 462.655 11.132  117290.80  5578.22  115623.60  7890.41  118956.70  7887.19  456.548 15.957  463.244 15.720  -6.695923      22.39915  
1 1 1 11  52  7  o 145.019 4.6373  11414.69   728.375  10400.86   1031.79  12421.80   1028.37  138.242 6.8910  151.139 6.2821  -12.89778      9.324726  
1 1 1 11  52  8  o 252.438 6.5692  34681.03   1796.13  32328.20   2541.83  37027.47   2538.38  243.032 9.6564  260.276 9.0043  -17.24413      13.20316  
1 1 1 11  52  9  o 167.170 3.1769  15153.73   575.216  16178.63   1177.21  14832.29   659.278  172.401 6.3044  165.350 3.6812  7.051147       7.300483  
1 1 1 11  52  10 o 89.288  2.4654  4321.37    238.429  4330.67    426.878  4317.15    287.444  89.295  4.4137  89.226  2.9743  0.6908417E-01  5.322373  
1 1 1 11  52  11 o 168.802 3.4717  15463.86   634.729  16114.32   1299.69  15260.13   727.369  171.760 6.9863  167.627 4.0063  4.133041       8.053465  
1 1 1 11  52  12 o 67.900  2.2626  2499.47    166.397  2576.45    466.860  2488.27    178.092  68.392  6.3760  67.742  2.4273  0.6496277      6.822409  
1 1 1 11  52  13 o 95.312  2.7314  4929.08    281.970  5718.93    611.872  4716.12    317.717  102.214 5.5477  93.201  3.1474  9.012360       6.378299  
1 1 1 11  52  14 o 122.835 2.9358  8193.10    390.590  9494.82    847.543  7842.09    440.112  131.689 5.9421  120.122 3.3827  11.56709       6.837510  
1 1 1 11  52  15 o 44.851  3.1767  1098.85    153.322  1207.41    459.504  1085.25    162.642  45.653  9.5975  44.543  3.3968  1.109730       10.18090  
1 1 1 11  52  16 o 67.391  2.9620  2468.70    216.203  1886.65    527.279  2586.33    237.047  57.509  8.7403  68.959  3.1737  -11.45029      9.298693  
1 1 1 11  52  17 o 71.731  2.2657  2793.48    176.030  2085.38    297.637  3174.41    218.302  61.590  4.4927  76.431  2.6370  -14.84084      5.209478  
1 1 1 11  52  18 o 46.422  4.7295  1193.84    234.475  1151.22    455.270  1209.23    273.544  44.121  9.7834  46.533  5.5360  -2.412476      11.24115  
1 1 1 11  52  19 o 65.987  3.9669  2390.85    282.203  2359.56    519.876  2403.92    336.017  64.400  7.5997  65.978  4.7336  -1.577904      8.953319  
1 1 1 11  52  20 o 11.347  5.3657  -196.0661  174.208  -397.9188  391.337  -146.1791  194.548  17.109  8.0756  12.909  5.9589  4.199057       10.03612  
1 1 1 11  52  21 o 37.718  2.0006  775.421    81.437   957.928    441.354  768.989    82.860   39.485  10.235  37.556  2.0447  1.929264       10.43764  
1 1 1 11  52  22 o 40.218  4.7524  908.485    203.014  986.868    446.157  888.018    227.984  39.774  10.282  39.531  5.4714  0.2427750      11.64673  
1 1 1 11  52  23 o 33.782  6.1547  664.237    216.898  675.872    438.710  660.472    249.527  32.960  10.722  33.336  7.1269  -0.3753510     12.87469  
1 1 1 11  52  24 o 50.516  4.5433  1437.99    245.926  1273.65    504.362  1489.26    281.680  43.892  10.705  51.135  5.1563  -7.243622      11.88223  
1 1 1 11  52  25 o 42.689  5.1401  1056.26    232.886  478.433    513.188  1206.12    261.345  28.123  11.207  45.495  5.4098  -17.37184      12.44458  
1 1 1 11  52  26 o 28.882  8.7032  555.581    294.752  0.0000     0.0000   555.581    294.752  ?       ?       28.882  8.7032  0.000000       8.703184  
1 1 1 11  52  27 o 20.677  8.4885  195.535    304.514  0.0000     0.0000   195.535    304.514  ?       ?       20.677  8.4885  0.000000       8.488530  
1 1 1 11  52  28 o 23.010  9.5556  300.626    391.924  0.0000     0.0000   300.626    391.924  ?       ?       23.010  9.5556  0.000000       9.555552  
1 1 1 11  52  29 o 16.973  7.8105  -73.1693   330.605  0.0000     0.0000   -73.1693   330.605  ?       ?       16.973  7.8105  0.000000       7.810531  
1 1 1 11  53  0  o 148.698 3.3112  11985.02   533.292  11806.21   755.180  12162.90   753.201  147.516 4.7265  149.732 4.6444  -2.216476      6.626466  
1 1 1 11  53  1  o 340.867 5.7916  63098.76   2138.24  63891.20   3024.09  62306.50   3023.76  342.534 8.1512  338.236 8.2539  4.298187       11.60036  
1 1 1 11  53  2  o 249.714 4.8582  33837.79   1313.97  35462.90   2286.31  33036.30   1605.62  255.153 8.2730  246.608 6.0113  8.545776       10.22637  
1 1 1 11  53  3  o 190.822 3.7844  19744.31   782.158  20922.42   1589.49  19367.89   898.466  196.077 7.4845  188.954 4.3901  7.122879       8.677003  
1 1 1 11  53  4  o 123.390 4.3743  8259.40    584.603  7868.13    826.854  8650.48    826.652  120.149 6.3767  126.179 6.0488  -6.030228      8.789196  
1 1 1 11  53  5  o 180.258 5.7696  17651.96   1126.44  17797.26   1819.28  17561.62   1434.48  180.305 9.3479  179.619 7.3735  0.6863098      11.90597  
1 1 1 11  53  6  o 194.783 5.4452  20608.83   1148.77  20640.61   1626.44  20577.20   1622.78  194.637 7.7151  194.338 7.7096  0.2983856      10.90693  
1 1 1 11  53  7  o 65.433  4.4546  2334.45    313.823  2251.53    448.215  2414.18    439.537  63.996  6.5590  66.342  6.1884  -2.345760      9.017614  
1 1 1 11  53  8  o 54.749  2.6088  1624.62    154.696  1720.60    397.878  1607.53    167.907  55.817  6.7161  54.380  2.8608  1.436649       7.300033  
1 1 1 11  53  9  f 171.109 3.1528  15877.58   584.302  19372.69   1198.43  14787.68   669.233  188.686 5.8641  165.085 3.7428  23.60071       6.956789  
1 1 1 11  53  10 f 130.695 2.8423  9262.45    402.353  10855.19   838.514  8786.03    458.597  141.237 5.4814  127.259 3.3272  13.97793       6.412154  
1 1 1 11  53  11 o 66.258  2.5505  2380.47    183.033  3089.73    441.197  2233.03    201.160  75.123  5.4597  64.162  2.8946  10.96107       6.179586  
1 1 1 11  53  12 o 90.634  2.5051  4455.00    245.920  4946.95    443.142  4236.07    295.618  95.376  4.2898  88.346  3.0894  7.029449       5.286433  
1 1 1 11  53  13 o 98.227  2.6530  5235.45    282.252  6906.98    677.075  4883.88    310.520  112.452 5.5590  94.844  3.0228  17.60763       6.327722  
1 1 1 11  53  14 o 86.361  2.8074  4049.58    262.594  4503.26    600.649  3942.38    291.975  90.415  6.1704  85.180  3.1648  5.235588       6.934628  
1 1 1 11  53  15 o 33.661  2.1557  617.220    78.179   855.415    444.666  609.622    79.416   38.303  10.435  33.448  2.2045  4.855347       10.66529  
1 1 1 11  53  16 o 114.307 3.0473  7104.97    377.274  6431.84    803.977  7295.05    427.234  107.637 6.9331  115.767 3.4073  -8.130241      7.725130  
1 1 1 11  53  17 o 47.015  3.9187  1214.70    197.733  1063.63    456.299  1249.62    219.403  42.421  10.080  47.621  4.3002  -5.199574      10.95883  
1 1 1 11  53  18 o 45.964  4.7897  1171.66    234.943  1297.51    456.333  1126.27    274.057  47.040  9.2862  44.814  5.7810  2.225716       10.93862  
1 1 1 11  53  19 o 7.4407  3.1248  3.9940     42.606   756.789    412.975  -4.1046    42.834   35.613  10.191  7.1183  3.0657  28.49448       10.64171  
1 1 1 11  53  20 o 29.891  6.1773  515.896    193.380  638.492    425.258  483.937    217.128  32.902  10.543  28.770  7.0281  4.131414       12.67063  
1 1 1 11  53  21 o 74.747  3.2950  3056.71    266.760  2934.58    566.175  3091.56    302.433  71.455  7.4240  75.068  3.7197  -3.612999      8.303727  
1 1 1 11  53  22 o 70.846  2.7317  2740.13    209.615  3702.34    555.158  2580.15    226.372  80.685  6.4053  68.680  3.0431  12.00521       7.091462  
1 1 1 11  53  23 o 52.820  4.2952  1556.59    243.600  1907.62    488.966  1440.70    280.948  56.480  8.2354  50.453  5.2166  6.026871       9.748604  
1 1 1 11  53  24 o 33.462  6.1331  662.214    214.091  746.322    442.854  636.562    244.570  33.482  10.762  32.339  7.1705  1.143547       12.93187  
1 1 1 11  53  25 o 24.076  7.8936  359.421    237.599  0.0000     0.0000   359.421    237.599  ?       ?       24.076  7.8936  0.000000       7.893595  
1 1 1 11  53  26 o 20.783  8.5910  177.080    314.684  0.0000     0.0000   177.080    314.684  ?       ?       20.783  8.5910  0.000000       8.590959  
1 1 1 11  53  27 o 27.383  9.2860  524.507    328.330  0.0000     0.0000   524.507    328.330  ?       ?       27.383  9.2860  0.000000       9.285958  
1 1 1 11  53  28 o 27.475  9.6249  557.386    353.687  0.0000     0.0000   557.386    353.687  ?       ?       27.475  9.6249  0.000000       9.624868  
1 1 1 11  53  29 o 32.291  9.4883  784.671    353.783  0.0000     0.0000   784.671    353.783  ?       ?       32.291  9.4883  0.000000       9.488278  
1 1 1 11  54  0  o 165.043 3.3941  14765.91   606.725  15078.81   859.394  14454.97   856.689  166.703 4.7597  163.212 4.8462  3.490631       6.792659  
1 1 1 11  54  1  o 201.191 3.8155  21948.53   831.435  23145.90   1175.95  20751.67   1175.70  206.490 5.2580  195.492 5.5526  10.99806       7.647105  
1 1 1 11  54  2  o 124.658 2.5811  8420.37    348.486  8456.34    486.783  8382.56    499.116  124.889 3.5987  124.339 3.7062  0.5502396      5.165857  
1 1 1 11  54  3  o 139.521 3.1966  10551.56   483.054  11687.04   857.224  10023.23   584.733  146.711 5.3946  135.949 3.9711  10.76248       6.698629  
1 1 1 11  54  4  o 181.517 5.2104  17888.77   1024.37  17139.36   1449.48  18636.52   1447.89  177.426 7.5427  185.054 7.2238  -7.627838      10.44388  
1 1 1 11  54  5  o 283.554 7.1845  43769.22   2206.50  44296.48   3122.43  43243.28   3118.50  284.528 10.132  281.093 10.243  3.434570       14.40752  
1 1 1 11  54  6  o 305.937 7.6768  51011.98   2543.78  47064.54   3598.21  54956.11   3596.70  292.761 11.348  316.674 10.486  -23.91251      15.45088  
1 1 1 11  54  7  o 56.543  4.7496  1748.16    288.175  1655.42    413.459  1835.77    401.871  54.666  7.1547  57.712  6.5449  -3.045204      9.696654  
1 1 1 11  54  8  o 177.321 3.6743  17058.19   705.672  18928.03   1243.21  16169.36   857.137  186.487 6.1550  172.553 4.5862  13.93335       7.675767  
1 1 1 11  54  9  o 132.283 2.9561  9488.97    423.536  10214.67   879.935  9270.15    483.190  136.976 5.9311  130.720 3.4128  6.255692       6.842885  
1 1 1 11  54  10 o 260.054 4.5689  36759.35   1286.90  36788.77   2590.28  36749.71   1482.84  258.688 9.2448  259.862 5.2685  -1.173553      10.64066  
1 1 1 11  54  11 o 132.547 2.9767  9531.96    427.344  10596.54   889.966  9212.94    487.185  139.377 5.8954  130.268 3.4529  9.108658       6.832139  
1 1 1 11  54  12 o 26.210  3.7850  380.989    104.335  704.953    336.204  346.464    109.754  35.068  8.8510  24.898  4.2206  10.16922       9.805841  
1 1 1 11  54  13 o 56.675  2.1912  1741.98    134.507  2157.59    490.564  1708.20    139.867  62.190  7.4300  56.119  2.3011  6.071873       7.778139  
1 1 1 11  54  14 o 138.709 3.1094  10454.97   467.149  12066.90   970.877  9969.35    532.891  148.322 6.0435  135.365 3.6346  12.95724       7.052254  
1 1 1 11  54  15 o 23.146  5.8985  305.434    148.305  314.871    420.686  304.095    158.479  27.280  10.345  23.121  6.2008  4.159008       12.06128  
1 1 1 11  54  16 o 44.681  3.8082  1096.17    182.539  1349.57    457.435  1048.17    199.077  48.298  9.0776  43.607  4.2697  4.690884       10.03163  
1 1 1 11  54  17 o 52.396  3.6099  1504.21    203.614  1569.39    473.295  1489.41    225.553  52.163  8.6824  52.062  4.0314  0.1014214      9.572687  
1 1 1 11  54  18 o 16.782  2.4370  156.241    43.001   744.645    417.440  149.931    43.231   35.482  10.273  16.421  2.5105  19.06084       10.57500  
1 1 1 11  54  19 o 26.827  7.3932  417.860    221.713  638.602    420.402  332.809    260.953  33.044  10.471  24.734  8.2790  8.310261       13.34878  
1 1 1 11  54  20 f 117.039 3.1010  7478.54    393.095  7528.10    825.291  7463.99    447.066  115.615 6.6180  116.785 3.5344  -1.169777      7.502698  
1 1 1 11  54  21 o 76.003  3.2464  3160.66    267.244  3350.45    569.610  3107.09    302.617  76.595  6.9414  75.238  3.7135  1.357460       7.872361  
1 1 1 11  54  22 o 70.238  3.5094  2708.06    266.979  2926.42    550.731  2640.98    305.245  71.173  7.2453  69.081  4.0979  2.092033       8.323885  
1 1 1 11  54  23 f 67.227  2.4501  2467.57    178.402  2124.24    525.743  2512.25    189.655  59.418  8.4038  67.802  2.5826  -8.384403      8.791686  
1 1 1 11  54  24 o 20.181  2.3952  225.923    51.332   402.413    437.983  223.465    51.688   26.914  10.465  20.063  2.4280  6.850798       10.74305  
1 1 1 11  54  25 o 32.513  7.6221  670.421    263.742  0.0000     0.0000   670.421    263.742  ?       ?       32.513  7.6221  0.000000       7.622092  
1 1 1 11  54  26 o 20.381  8.2017  192.880    277.696  0.0000     0.0000   192.880    277.696  ?       ?       20.381  8.2017  0.000000       8.201661  
1 1 1 11  54  27 o 27.481  8.8987  524.298    302.364  0.0000     0.0000   524.298    302.364  ?       ?       27.481  8.8987  0.000000       8.898675  
1 1 1 11  54  28 o 23.636  9.4089  361.319    361.354  0.0000     0.0000   361.319    361.354  ?       ?       23.636  9.4089  0.000000       9.408914  
1 1 1 11  55  0  o 299.238 5.3213  48613.52   1724.65  48697.77   2439.75  48529.36   2438.30  299.125 7.5305  298.605 7.5391  0.5193787      10.65583  
1 1 1 11  55  1  o 161.217 3.3157  14089.29   578.978  13924.58   849.566  14232.12   791.148  160.179 4.8969  161.965 4.5099  -1.785507      6.657246  
1 1 1 11  55  2  o 125.065 2.9217  8477.20    395.764  7915.54    557.820  9046.47    561.588  120.798 4.2635  129.151 4.0147  -8.353615      5.856184  
1 1 1 11  55  3  o 203.388 4.0593  22437.52   894.231  23424.34   1562.37  21956.74   1090.52  207.497 6.9518  201.115 5.0063  6.382477       8.566883  
1 1 1 11  55  4  o 114.317 4.3018  7090.52    532.643  7252.33    754.797  6930.00    751.753  115.351 6.0627  112.737 6.1801  2.613976       8.657394  
1 1 1 11  55  5  o 135.371 4.6092  9946.78    675.803  9106.92    997.149  10660.26   919.078  129.128 7.1577  140.026 6.0600  -10.89844      9.378494  
1 1 1 11  55  6  o 259.388 6.7014  36626.00   1882.73  35923.07   2664.50  37326.90   2660.66  256.191 9.6024  261.205 9.4046  -5.014038      13.44069  
1 1 1 11  55  7  o 302.312 7.5778  49855.96   2481.24  50921.09   3512.03  48794.50   3505.98  304.447 10.651  297.936 10.865  6.511169       15.21438  
1 1 1 11  55  8  o 56.601  1.7190  1735.69    105.381  1856.34    140.382  1579.93    159.506  58.527  2.2146  53.915  2.7405  4.612404       3.523453  
1 1 1 11  55  9  f 154.554 3.0325  12955.58   507.638  14751.00   1045.66  12401.95   580.654  164.574 5.8662  151.173 3.5463  13.40099       6.854835  
1 1 1 11  55  10 o 27.724  3.5107  423.858    103.057  506.707    316.875  414.058    108.982  30.169  9.0088  27.357  3.7790  2.812096       9.769322  
1 1 1 11  55  11 o 107.085 2.7838  6220.91    322.878  5834.63    678.346  6334.06    367.134  103.189 6.0965  108.029 3.1377  -4.839394      6.856568  
1 1 1 11  55  12 o 39.600  3.1443  856.832    133.752  744.565    448.128  867.811    140.140  36.200  10.691  39.839  3.2768  -3.639427      11.18155  
1 1 1 11  55  13 o 58.975  2.8705  1888.52    183.358  2878.71    491.819  1728.68    197.604  72.174  6.3564  56.310  3.2538  15.86393       7.140821  
1 1 1 11  55  14 o 127.753 2.9435  8867.01    407.288  9099.11    868.112  8801.51    461.198  128.699 6.2277  127.221 3.3470  1.478828       7.070148  
1 1 1 11  55  15 o 61.189  2.5438  2033.10    168.586  1693.92    234.310  2397.16    242.748  55.614  3.9148  66.286  3.3925  -10.67206      5.180263  
1 1 1 11  55  16 o 32.207  4.9277  580.937    166.427  367.864    433.718  617.728    180.224  28.316  10.554  33.178  5.1849  -4.862001      11.75841  
1 1 1 11  55  17 o 30.614  5.5215  531.263    176.346  782.573    429.791  480.390    193.373  36.410  10.388  28.918  6.3478  7.491488       12.17409  
1 1 1 11  55  18 o 66.420  2.6120  2399.48    187.904  1740.47    518.797  2498.98    201.591  54.658  9.0821  67.767  2.7465  -13.10924      9.488338  
1 1 1 11  55  19 o 63.764  4.1188  2238.62    282.933  1882.68    517.983  2389.97    337.773  56.843  8.6894  65.709  4.7787  -8.866810      9.916743  
1 1 1 11  55  20 o 47.989  2.4659  1257.00    127.738  1308.95    477.308  1252.99    132.574  46.540  9.7797  47.897  2.5649  -1.356766      10.11045  
1 1 1 11  55  21 o 71.460  3.3186  2796.30    256.854  2677.20    555.162  2828.74    289.728  67.956  7.6772  71.671  3.7453  -3.715126      8.542059  
1 1 1 11  55  22 o 21.142  7.1396  244.339    194.081  179.930    423.293  261.484    218.389  24.176  9.9762  21.977  7.5707  2.199139       12.52362  
1 1 1 11  55  23 o 55.956  3.9431  1742.05    237.451  1652.46    499.340  1768.22    269.923  51.571  9.2809  56.165  4.4743  -4.593426      10.30310  
1 1 1 11  55  24 o 39.103  5.6361  894.525    231.808  1559.20    463.533  672.861    267.685  49.377  8.9988  32.823  7.6681  16.55446       11.82280  
1 1 1 11  55  25 o 30.659  8.1428  609.331    274.959  0.0000     0.0000   609.331    274.959  ?       ?       30.659  8.1428  0.000000       8.142814  
1 1 1 11  55  26 o 24.822  8.5787  397.611    280.521  0.0000     0.0000   397.611    280.521  ?       ?       24.822  8.5787  0.000000       8.578666  
1 1 1 11  55  27 o 22.452  8.9429  289.074    326.626  0.0000     0.0000   289.074    326.626  ?       ?       22.452  8.9429  0.000000       8.942910  
1 1 1 11  55  28 o 25.439  9.1518  457.593    321.653  0.0000     0.0000   457.593    321.653  ?       ?       25.439  9.1518  0.000000       9.151806  
1 1 1 11  56  0  o 94.849  2.5419  4874.92    261.132  4904.91    352.869  4838.60    388.255  95.117  3.4252  94.460  3.7949  0.6569290      5.112063  
1 1 1 11  56  1  o 146.729 3.1952  11670.62   507.784  11420.64   717.594  11921.33   718.637  145.075 4.5668  148.227 4.4762  -3.151733      6.394724  
1 1 1 11  56  2  o 84.679  2.7305  3886.10    250.432  3470.50    351.801  4313.06    356.575  79.883  4.0796  89.183  3.6915  -9.299583      5.501848  
1 1 1 11  56  3  o 180.286 3.9717  17630.53   775.555  19949.55   1574.38  16887.46   891.187  191.366 7.5958  176.391 4.6647  14.97417       8.913797  
1 1 1 11  56  4  o 245.886 6.4232  32887.42   1710.64  32694.27   2420.78  33080.06   2417.65  244.611 9.1371  246.066 9.0713  -1.454651      12.87540  
1 1 1 11  56  5  o 128.234 4.4177  8925.25    613.580  9711.45    871.026  8150.82    864.479  133.636 6.0178  122.208 6.5550  11.42756       8.898417  
1 1 1 11  56  6  f 52.320  3.1484  1489.61    177.584  1754.81    380.220  1415.62    200.836  56.435  6.3295  50.954  3.6636  5.481014       7.313277  
1 1 1 11  56  7  o 72.961  2.2938  2884.91    181.261  5177.14    445.073  2429.12    198.466  97.655  4.2079  66.939  2.7374  30.71562       5.019955  
1 1 1 11  56  8  o 141.410 2.7166  10841.77   416.083  13870.11   871.479  9947.63    473.541  159.720 5.0376  135.421 3.2285  24.29933       5.983391  
1 1 1 11  56  9  o 171.600 3.3552  15979.48   623.598  16529.87   1272.66  15805.58   715.362  173.991 6.7533  170.607 3.8713  3.384384       7.784215  
1 1 1 11  56  10 o 98.478  2.5422  5259.07    271.158  6973.15    587.248  4794.59    305.697  113.202 4.7896  94.004  3.0024  19.19817       5.652849  
1 1 1 11  56  11 o 149.176 3.0590  12079.23   494.255  13920.47   1015.53  11507.70   565.787  159.648 5.8729  145.541 3.5892  14.10780       6.882867  
1 1 1 11  56  12 o 103.823 2.5709  5848.79    289.102  6790.27    554.647  5497.59    338.760  111.634 4.5872  100.613 3.1086  11.02049       5.541311  
1 1 1 11  56  13 o 55.464  2.9020  1675.27    173.727  2175.43    480.681  1600.12    186.322  62.430  7.2434  54.170  3.1897  8.259453       7.914585  
1 1 1 11  56  14 o 133.679 3.1732  9715.60    459.442  9063.45    955.737  9911.61    523.954  128.002 6.9194  134.948 3.5847  -6.945877      7.792816  
1 1 1 11  56  15 o 69.972  3.0684  2662.46    232.547  2925.65    539.398  2602.38    257.729  72.422  6.9623  69.142  3.4415  3.280777       7.766443  
1 1 1 11  56  16 o 104.527 3.0397  5944.91    344.139  5440.35    737.477  6085.37    389.102  98.795  6.9359  105.692 3.3990  -6.897194      7.723996  
1 1 1 11  56  17 o 111.497 2.9820  6766.99    360.121  6777.81    783.805  6764.09    405.449  110.315 6.5901  111.397 3.3604  -1.081482      7.397417  
1 1 1 11  56  18 f 69.057  3.7838  2614.91    281.935  2499.28    539.229  2658.41    330.745  66.261  7.6544  69.476  4.4182  -3.215149      8.838036  
1 1 1 11  56  19 o 30.633  7.0108  547.337    227.584  933.417    433.851  400.768    267.315  39.245  10.136  26.512  8.3440  12.73357       13.12846  
1 1 1 11  56  20 o 40.176  4.5133  900.618    192.996  1445.49    454.440  780.717    213.176  49.364  8.8234  37.109  5.4676  12.25433       10.38017  
1 1 1 11  56  21 o 45.391  1.9056  1119.99    93.684   1028.70    458.425  1123.97    95.704   40.631  10.379  45.469  1.9433  -4.837769      10.55973  
1 1 1 11  56  22 o 77.425  3.2150  3287.16    269.609  3177.99    586.866  3316.36    303.536  73.868  7.4363  77.643  3.6094  -3.775032      8.265989  
1 1 1 11  56  23 o 33.705  6.0519  667.156    212.811  439.779    449.991  732.661    241.528  28.054  10.685  35.124  6.5910  -7.069317      12.55430  
1 1 1 11  56  24 o 20.190  7.4910  214.968    218.037  0.0000     0.0000   214.968    218.037  ?       ?       20.190  7.4910  0.000000       7.491044  
1 1 1 11  56  25 o 35.568  7.5546  799.423    282.046  0.0000     0.0000   799.423    282.046  ?       ?       35.568  7.5546  0.000000       7.554619  
1 1 1 11  56  26 o 37.655  8.2208  933.463    325.878  0.0000     0.0000   933.463    325.878  ?       ?       37.655  8.2208  0.000000       8.220803  
1 1 1 11  56  27 o 30.657  8.6366  653.912    299.031  0.0000     0.0000   653.912    299.031  ?       ?       30.657  8.6366  0.000000       8.636573  
1 1 1 11  56  28 o 27.548  8.9736  545.770    307.247  0.0000     0.0000   545.770    307.247  ?       ?       27.548  8.9736  0.000000       8.973580  
1 1 1 11  57  0  o 116.144 3.1021  7312.27    390.230  7016.53    553.515  7604.52    550.236  113.711 4.4943  118.390 4.2911  -4.679314      6.213824  
1 1 1 11  57  1  f 148.110 3.2613  11892.78   523.170  11766.83   739.399  12019.05   740.349  147.242 4.6363  148.815 4.5932  -1.572739      6.526376  
1 1 1 11  57  2  o 191.541 3.6792  19896.73   763.280  19429.90   1138.79  20277.52   1028.50  189.109 5.5598  193.258 4.9135  -4.149246      7.419874  
1 1 1 11  57  3  o 187.189 3.4899  19000.99   707.556  21441.76   1242.75  17830.32   860.672  198.619 5.7769  181.261 4.3839  17.35803       7.251959  
1 1 1 11  57  4  o 185.204 5.9652  18651.81   1196.58  19666.02   1949.24  18038.50   1515.80  189.340 9.5356  181.887 7.6943  7.452530       12.25280  
1 1 1 11  57  5  o 126.187 2.6147  8630.55    357.357  11578.27   759.253  7791.72    405.024  146.010 4.8010  119.877 3.1194  26.13309       5.725451  
1 1 1 11  57  6  o ?       ?       -160.3068  29.650   -25.7245   294.264  -161.6872  29.802   18.673  8.0387  ?       ?       0.000000       8.038728  
1 1 1 11  57  7  o 45.945  2.4306  1147.38    120.524  2758.88    354.662  936.980    128.151  71.111  4.6300  41.471  2.8707  29.63996       5.447756  
1 1 1 11  57  8  o 249.852 4.4257  33921.08   1197.68  34783.58   3138.34  33774.05   1295.74  250.564 11.564  249.236 4.8000  1.327682       12.52070  
1 1 1 11  57  9  o 188.470 3.5861  19285.38   732.045  23256.79   1421.27  17851.38   854.043  206.409 6.3574  181.220 4.3512  25.18915       7.703824  
1 1 1 11  57  10 o 210.486 4.1485  24087.39   945.776  25086.75   2408.32  23905.17   1028.40  212.589 10.459  209.609 4.5298  2.980179       11.39806  
1 1 1 11  57  11 o 202.020 3.6310  22180.16   794.495  26591.02   1637.04  20821.12   908.685  220.201 6.8639  195.597 4.2892  24.60361       8.093866  
1 1 1 11  57  12 o 38.331  3.2745  804.149    134.641  810.031    446.910  803.562    141.202  37.487  10.557  38.296  3.4409  -0.8090019     11.10405  
1 1 1 11  57  13 o 92.035  3.0028  4602.08    299.329  3904.51    660.313  4782.50    335.815  83.799  7.3494  93.790  3.3058  -9.990997      8.058634  
1 1 1 11  57  14 o 51.836  2.2531  1458.14    126.498  1380.97    159.598  1588.53    207.465  50.325  2.9408  53.904  3.5737  -3.579510      4.628179  
1 1 1 11  57  15 o 54.098  3.3818  1599.35    197.154  1966.52    476.522  1523.52    216.558  59.023  7.6328  52.728  3.8178  6.295357       8.534360  
1 1 1 11  57  16 o 81.174  2.6075  3581.35    229.254  3667.14    366.257  3526.09    293.963  81.812  4.1469  80.447  3.3738  1.364937       5.345917  
1 1 1 11  57  17 o 78.557  2.6179  3355.79    222.747  3997.03    585.528  3247.29    240.856  84.638  6.4355  77.243  2.8789  7.394264       7.050043  
1 1 1 11  57  18 o 72.926  3.8319  2917.30    301.605  3193.32    559.485  2804.23    358.092  75.248  6.9430  71.275  4.6643  3.973068       8.364288  
1 1 1 11  57  19 o 43.474  1.8068  1026.23    85.078   740.287    446.861  1036.99    86.663   35.067  10.748  43.699  1.8310  -8.632179      10.90276  
1 1 1 11  57  20 o 36.063  4.9769  733.211    189.220  488.065    444.047  787.602    209.161  29.883  10.753  37.296  5.3293  -7.413513      12.00092  
1 1 1 11  57  21 o 15.252  6.4651  19.065     185.130  -694.7729  416.940  194.363    206.615  15.550  7.5863  20.023  7.3153  -4.473207      10.53874  
1 1 1 11  57  22 o 49.316  2.4878  1330.84    132.458  1042.28    489.262  1353.66    137.596  40.150  10.949  49.723  2.5637  -9.573006      11.24502  
1 1 1 11  57  23 f 38.041  1.9789  791.025    81.254   1613.39    461.753  764.747    82.542   50.955  8.6777  37.391  2.0459  13.56446       8.915573  
1 1 1 11  57  24 o 35.553  6.5114  765.246    241.497  0.0000     0.0000   765.246    241.497  ?       ?       35.553  6.5114  0.000000       6.511350  
1 1 1 11  57  25 o 25.885  9.0407  430.924    311.942  0.0000     0.0000   430.924    311.942  ?       ?       25.885  9.0407  0.000000       9.040652  
1 1 1 11  57  26 o 28.914  8.5063  566.230    284.192  0.0000     0.0000   566.230    284.192  ?       ?       28.914  8.5063  0.000000       8.506302  
1 1 1 11  57  27 o 29.832  9.2199  640.463    328.054  0.0000     0.0000   640.463    328.054  ?       ?       29.832  9.2199  0.000000       9.219922  
1 1 1 11  57  28 o 16.782  7.5316  -9.5650    284.363  0.0000     0.0000   -9.5650    284.363  ?       ?       16.782  7.5316  0.000000       7.531583  
1 1 1 11  58  0  o 437.733 7.2567  104350.90  3440.46  111155.00  4867.62  97558.40   4863.46  450.660 9.9724  421.890 10.643  28.76965       14.58518  
1 1 1 11  58  1  o 501.034 8.3295  136975.70  4520.16  135573.50  6392.64  138377.70  6392.30  496.536 11.887  501.724 11.763  -5.187531      16.72313  
1 1 1 11  58  2  o 257.643 4.6227  36034.58   1289.99  34479.06   1823.45  37593.07   1825.20  251.691 6.6889  262.865 6.4107  -11.17381      9.264937  
1 1 1 11  58  3  o 135.392 3.0728  9938.28    450.604  12809.47   804.109  8623.93    544.051  153.585 4.8339  126.074 3.9842  27.51062       6.264211  
1 1 1 11  58  4  o 99.281  2.9656  5343.80    318.897  6113.58    587.890  5022.86    379.597  106.076 5.1169  96.227  3.6421  9.849495       6.280766  
1 1 1 11  58  5  o 80.742  2.4848  3533.50    217.298  4311.46    497.028  3349.67    241.612  88.915  5.1835  78.604  2.8379  10.31108       5.909535  
1 1 1 11  58  6  o 237.640 3.9581  30653.90   1018.77  31004.14   2058.23  30540.25   1172.47  238.151 7.9794  237.109 4.5654  1.042725       9.193170  
1 1 1 11  58  7  o 259.818 4.1841  36664.16   1177.44  41308.15   2376.67  35153.60   1355.47  274.728 7.9872  254.267 4.9219  20.46077       9.381912  
1 1 1 11  58  8  o 163.869 3.0380  14567.63   539.206  16491.91   1108.88  13971.73   617.073  173.941 5.8859  160.431 3.5512  13.50937       6.874206  
1 1 1 11  58  9  o 52.287  1.5467  1481.34    87.593   1742.36    109.792  1024.27    145.286  56.702  1.7877  43.333  3.1163  13.36890       3.592667  
1 1 1 11  58  10 o 65.280  2.6134  2311.78    184.783  2617.71    428.612  2241.94    204.793  69.000  5.7887  64.272  2.9419  4.727509       6.493325  
1 1 1 11  58  11 o 127.678 2.9187  8850.14    403.630  10905.39   886.545  8312.72    453.340  141.218 5.7962  123.689 3.3840  17.52911       6.711690  
1 1 1 11  58  12 o 177.483 3.5395  17130.18   680.403  18836.74   1394.19  16596.66   779.539  185.016 6.9573  174.568 4.1229  10.44800       8.087191  
1 1 1 11  58  13 o 84.443  2.9222  3874.09    267.269  3876.17    605.143  3873.59    297.898  83.630  6.7379  84.404  3.2586  -0.7747421     7.484535  
1 1 1 11  58  14 o 66.626  3.0229  2413.21    218.139  2243.02    518.216  2449.86    240.483  63.129  7.7412  67.104  3.3088  -3.975311      8.418694  
1 1 1 11  58  15 o 109.095 3.0216  6474.09    357.040  5547.27    759.995  6736.58    404.451  99.767  7.0792  111.227 3.3573  -11.46017      7.834897  
1 1 1 11  58  16 o 92.655  2.8096  4669.42    281.961  4089.29    663.685  4797.19    311.467  85.393  7.2441  93.876  3.0633  -8.483185      7.865166  
1 1 1 11  58  17 o 73.446  3.1369  2939.22    249.540  2642.48    560.670  3012.52    278.661  68.208  7.7255  74.306  3.4624  -6.098305      8.465960  
1 1 1 11  58  18 o 88.082  3.6983  4243.27    352.825  3223.26    639.783  4689.06    422.955  75.067  7.9918  92.456  4.2237  -17.38875      9.039264  
1 1 1 11  58  19 o 68.041  4.0556  2550.34    297.518  1825.39    545.594  2857.15    354.935  55.423  9.4264  71.866  4.5838  -16.44305      10.48176  
1 1 1 11  58  20 o 18.344  6.7119  158.743    174.027  -484.5525  420.474  291.717    191.169  17.125  8.1660  22.644  7.0448  -5.518810      10.78486  
1 1 1 11  58  21 o 77.569  3.3004  3297.29    277.288  3192.59    583.169  3327.88    315.199  74.327  7.3398  77.798  3.7406  -3.470596      8.238025  
1 1 1 11  58  22 o 69.783  3.4462  2679.91    260.474  2158.94    558.323  2824.85    294.486  59.541  8.9333  71.420  3.8208  -11.87873      9.716044  
1 1 1 11  58  23 o ?       ?       -243.4020  30.572   341.371    420.883  -246.5038  30.653   25.754  10.185  ?       ?       0.000000       10.18521  
1 1 1 11  58  24 f 44.286  6.2342  1169.58    290.756  0.0000     0.0000   1169.58    290.756  ?       ?       44.286  6.2342  0.000000       6.234173  
1 1 1 11  58  25 o 39.122  6.8744  945.711    280.658  0.0000     0.0000   945.711    280.658  ?       ?       39.122  6.8744  0.000000       6.874384  
1 1 1 11  58  26 o 24.563  8.9131  392.108    305.981  0.0000     0.0000   392.108    305.981  ?       ?       24.563  8.9131  0.000000       8.913140  
1 1 1 11  58  27 o 28.855  8.6747  585.337    293.078  0.0000     0.0000   585.337    293.078  ?       ?       28.855  8.6747  0.000000       8.674690  
1 1 1 11  59  0  o 189.429 3.6108  19461.91   740.840  19211.51   1049.14  19710.95   1046.28  188.060 5.1507  190.498 5.0709  -2.437759      7.228007  
1 1 1 11  59  1  o 255.123 4.7788  35343.32   1320.49  34281.96   2010.95  36147.88   1750.86  250.792 7.4032  257.761 6.2714  -6.968506      9.702451  
1 1 1 11  59  2  o 130.008 2.8128  9162.17    396.074  9485.65    560.033  8838.44    560.234  132.223 3.9105  127.624 4.0529  4.599327       5.631897  
1 1 1 11  59  3  o 87.717  2.5261  4170.22    239.996  4069.74    339.620  4270.44    339.192  86.616  3.6201  88.730  3.5294  -2.113747      5.055911  
1 1 1 11  59  4  o 95.489  3.1733  4944.75    328.197  5183.16    592.255  4839.10    394.269  97.459  5.6347  94.433  3.8548  3.026642       6.827110  
1 1 1 11  59  5  o 143.036 2.9193  11093.77   452.269  11804.79   937.660  10878.20   516.298  147.266 5.8786  141.610 3.3662  5.655899       6.774112  
1 1 1 11  59  6  o 188.786 3.1643  19332.55   647.016  24526.90   1325.66  17708.26   741.308  212.238 5.7669  180.617 3.7894  31.62079       6.900457  
1 1 1 11  59  7  o 133.275 4.6394  9657.02    669.696  9633.70    992.268  9676.53    907.574  132.617 6.9322  133.191 6.2913  -0.5730896     9.361360  
1 1 1 11  59  8  o 99.834  2.6731  5405.41    289.039  5601.14    621.569  5351.41    326.487  101.207 5.6935  99.313  3.0352  1.894211       6.451980  
1 1 1 11  59  9  o 38.794  2.8519  820.973    118.992  925.932    332.379  805.543    127.439  40.385  7.8816  38.401  3.0901  1.984001       8.465773  
1 1 1 11  59  10 o 177.435 3.2789  17099.38   630.138  22030.53   1318.90  15640.79   717.304  200.697 6.0674  169.596 3.9050  31.10130       7.215370  
1 1 1 11  59  11 o 136.690 2.9487  10145.97   436.548  11964.36   934.186  9637.95    493.779  147.853 5.8336  133.162 3.4236  14.69124       6.763983  
1 1 1 11  59  12 o 93.670  2.7160  4763.97    275.552  4448.93    487.734  4911.67    333.955  90.102  5.0177  95.058  3.2436  -4.956627      5.974827  
1 1 1 11  59  13 o 107.738 2.9714  6307.87    346.740  6275.28    749.403  6316.75    391.124  106.568 6.5240  107.763 3.3510  -1.194969      7.334283  
1 1 1 11  59  14 f 54.097  3.3576  1598.84    195.759  2093.66    482.770  1501.47    214.156  61.008  7.4616  52.351  3.8028  8.656212       8.374820  
1 1 1 11  59  15 o 88.409  2.9570  4251.81    283.147  4641.48    627.744  4152.27    317.253  91.420  6.3797  87.312  3.3548  4.108528       7.207981  
1 1 1 11  59  16 o 35.752  2.0549  696.181    79.239   1342.18    445.833  675.109    80.521   48.035  8.8969  35.199  2.1220  12.83646       9.146469  
1 1 1 11  59  17 o 43.268  4.1280  1034.19    191.106  1141.26    461.710  1012.06    209.934  43.717  9.9718  42.694  4.6132  1.022602       10.98716  
1 1 1 11  59  18 o 37.993  1.4007  782.878    57.637   807.729    59.128   308.734    258.272  38.591  1.4146  24.049  8.2355  14.54112       8.356091  
1 1 1 11  59  19 o 45.213  2.4455  1116.03    119.311  1064.71    130.241  1383.85    297.547  44.113  2.7395  49.575  5.6419  -5.462433      6.271839  
1 1 1 11  59  20 o 8.3330  2.6820  36.834     27.497   -415.8871  415.806  38.822     27.557   17.520  8.2866  8.4972  2.6797  9.023194       8.709094  
1 1 1 11  59  21 o 16.700  6.5068  105.833    169.580  -70.4599   421.690  139.843    185.217  20.889  9.2869  18.036  6.8585  2.852608       11.54491  
1 1 1 11  59  22 o 29.369  6.3821  511.888    197.212  233.411    444.297  580.217    220.081  24.912  10.243  31.188  6.7139  -6.276123      12.24748  
1 1 1 11  59  23 o 37.028  5.7368  805.311    222.633  0.0000     0.0000   805.311    222.633  ?       ?       37.028  5.7368  0.000000       5.736819  
1 1 1 11  59  24 o 26.079  8.2375  432.841    260.333  0.0000     0.0000   432.841    260.333  ?       ?       26.079  8.2375  0.000000       8.237508  
1 1 1 11  59  25 o 57.483  5.0548  1918.89    311.517  0.0000     0.0000   1918.89    311.517  ?       ?       57.483  5.0548  0.000000       5.054839  
1 1 1 11  59  26 o 38.782  7.1864  956.711    290.748  0.0000     0.0000   956.711    290.748  ?       ?       38.782  7.1864  0.000000       7.186442  
1 1 1 11  59  27 o 44.708  7.1336  1278.51    333.821  0.0000     0.0000   1278.51    333.821  ?       ?       44.708  7.1336  0.000000       7.133565  
1 1 1 11  60  0  f 28.367  3.6332  443.637    109.064  545.524    158.827  352.726    150.028  31.329  4.8363  24.977  5.6748  6.352247       7.456082  
1 1 1 11  60  1  o 184.770 3.6404  18520.14   728.532  19323.76   1030.61  17717.48   1029.99  188.588 5.0456  180.554 5.2669  8.034653       7.293705  
1 1 1 11  60  2  o 58.781  2.6548  1872.92    169.018  1774.64    239.077  1971.11    238.977  57.055  3.8920  60.163  3.6851  -3.108269      5.359830  
1 1 1 11  60  3  o 66.628  2.5087  2406.26    181.038  2304.08    256.975  2506.94    255.089  65.063  3.6614  67.892  3.4807  -2.828278      5.051882  
1 1 1 11  60  4  o 161.091 3.4262  14078.21   597.806  16076.52   1055.44  13134.32   725.379  171.882 5.6694  155.518 4.3064  16.36444       7.119462  
1 1 1 11  60  5  o 205.183 3.7571  22852.15   834.951  28461.13   1468.03  20170.14   1015.13  228.591 5.9293  192.617 4.8658  35.97438       7.670275  
1 1 1 11  60  6  o 128.117 2.7723  8901.34    384.694  10052.30   806.326  8562.15    437.724  135.876 5.4790  125.622 3.2171  10.25329       6.353638  
1 1 1 11  60  7  o 220.378 3.6691  26371.63   875.793  31166.44   1776.76  24832.77   1006.57  238.777 6.8702  213.736 4.3481  25.04172       8.130479  
1 1 1 11  60  8  o 201.883 3.5099  22133.31   767.477  26962.28   1561.32  20594.73   881.302  222.078 6.4911  194.627 4.1807  27.45036       7.720906  
1 1 1 11  60  9  o 19.196  5.4038  206.440    117.111  19.433     440.111  220.690    121.491  23.392  9.9441  19.813  5.4779  3.578915       11.35308  
1 1 1 11  60  10 o 41.592  1.9136  937.836    86.207   915.486    104.511  985.415    152.487  41.014  2.3627  42.457  3.3431  -1.442780      4.093671  
1 1 1 11  60  11 o 98.889  2.9470  5311.04    315.645  4852.00    702.097  5427.33    353.369  93.658  6.9712  99.933  3.2648  -6.275169      7.697774  
1 1 1 11  60  12 o 141.302 3.2070  10854.04   490.820  10990.65   1026.55  10813.55   558.835  141.284 6.7084  140.957 3.6604  0.3269653      7.642052  
1 1 1 11  60  13 o 126.013 3.1048  8633.58    423.760  9109.49    895.277  8496.17    481.062  128.608 6.4271  124.930 3.5552  3.678680       7.344903  
1 1 1 11  60  14 o 133.373 3.1353  9677.79    452.914  9863.36    949.308  9623.11    515.348  133.613 6.5598  132.903 3.5801  0.7099152      7.473140  
1 1 1 11  60  15 o 70.190  3.1018  2681.64    235.810  2835.88    539.422  2645.20    262.189  71.098  7.0999  69.667  3.4747  1.430725       7.904539  
1 1 1 11  60  16 o 59.495  3.2574  1934.62    209.107  1412.89    498.547  2046.01    230.349  48.968  9.7427  61.147  3.4926  -12.17902      10.34978  
1 1 1 11  60  17 o 37.670  4.4748  789.504    179.005  1008.09    454.068  749.282    194.779  40.926  10.262  36.550  5.0556  4.376194       11.44001  
1 1 1 11  60  18 o 52.547  2.6193  1503.44    149.075  2222.95    498.733  1432.85    156.217  62.290  7.5463  51.199  2.8280  11.09083       8.058805  
1 1 1 11  60  19 f 14.740  6.5571  -64.9905   210.505  -61.2495   413.973  -66.2952   244.471  21.037  9.2842  15.972  7.0874  5.064730       11.68021  
1 1 1 11  60  20 o 40.495  4.6283  918.228    199.354  546.745    461.795  1003.31    221.008  30.994  10.985  42.265  4.9199  -11.27070      12.03664  
1 1 1 11  60  21 o ?       ?       -189.1640  32.562   292.336    428.282  -191.9634  32.656   25.895  10.264  ?       ?       0.000000       10.26379  
1 1 1 11  60  22 o 25.849  7.0544  403.905    203.014  821.390    445.808  294.679    228.029  35.239  10.723  22.714  7.7385  12.52428       13.22334  
1 1 1 11  60  23 o 22.485  7.8040  295.824    232.266  0.0000     0.0000   295.824    232.266  ?       ?       22.485  7.8040  0.000000       7.804033  
1 1 1 11  60  24 o 22.348  7.8020  296.795    232.309  0.0000     0.0000   296.795    232.309  ?       ?       22.348  7.8020  0.000000       7.802021  
1 1 1 11  60  25 o 24.954  8.6931  401.070    288.330  0.0000     0.0000   401.070    288.330  ?       ?       24.954  8.6931  0.000000       8.693092  
1 1 1 11  60  26 o 41.808  6.8340  1096.22    298.762  0.0000     0.0000   1096.22    298.762  ?       ?       41.808  6.8340  0.000000       6.833970  
1 1 1 11  60  27 o 23.797  8.4615  375.644    274.196  0.0000     0.0000   375.644    274.196  ?       ?       23.797  8.4615  0.000000       8.461497  
1 1 1 11  61  0  o 121.991 2.9277  8068.77    386.831  8347.57    548.647  7793.17    545.490  124.011 4.0847  119.814 4.2035  4.196877       5.861229  
1 1 1 11  61  1  o 174.152 3.5634  16454.15   672.138  16622.87   950.745  16285.58   950.346  174.889 5.0192  173.100 5.0689  1.789474       7.133445  
1 1 1 11  61  2  o 103.660 2.7195  5825.48    305.335  5848.23    430.895  5802.54    432.728  103.807 3.8325  103.398 3.8639  0.4080963      5.442217  
1 1 1 11  61  3  o 94.915  2.5736  4883.79    264.571  4788.69    373.517  4979.55    374.807  93.937  3.6712  95.793  3.6124  -1.856842      5.150468  
1 1 1 11  61  4  o 113.799 3.1597  7024.81    389.457  7646.73    699.186  6745.05    468.941  118.535 5.4460  111.462 3.8844  7.073189       6.689303  
1 1 1 11  61  5  o 172.079 3.7132  16075.74   692.069  17627.90   1218.69  15336.92   840.796  179.785 6.2585  167.964 4.6217  11.82149       7.780034  
1 1 1 11  61  6  o 125.905 2.6044  8596.18    355.164  12022.79   753.903  7618.77    402.643  148.679 4.6816  118.496 3.1372  30.18336       5.635568  
1 1 1 11  61  7  o 52.036  1.6585  1467.25    93.473   1652.69    120.369  1185.55    148.359  55.218  2.0126  46.651  2.9514  8.567177       3.572286  
1 1 1 11  61  8  o 52.616  3.1294  1508.18    177.537  1989.03    370.077  1364.43    202.340  60.089  5.7567  49.966  3.7665  10.12291       6.879413  
1 1 1 11  61  9  o 123.141 2.8207  8230.24    376.208  10307.48   841.962  7712.06    420.522  137.346 5.6599  119.157 3.2584  18.18909       6.530755  
1 1 1 11  61  10 o 230.111 4.2017  28834.75   1047.21  28973.57   2124.17  28790.18   1203.65  228.676 8.5762  229.727 4.8375  -1.050491      9.846458  
1 1 1 11  61  11 o 58.497  3.0918  1864.49    195.196  1536.00    508.604  1921.23    211.383  51.720  9.4266  59.358  3.3010  -7.637959      9.987879  
1 1 1 11  61  12 o 77.648  2.9588  3276.19    248.840  2851.72    578.538  3372.55    275.640  71.400  7.5978  78.757  3.2314  -7.356186      8.256371  
1 1 1 11  61  13 o 9.1262  4.3552  -159.9516  120.080  125.145    404.514  -187.5020  125.748  23.808  9.7799  9.0706  4.3625  14.73771       10.70877  
1 1 1 11  61  14 o 104.671 3.0194  5960.08    342.307  5647.98    738.604  6045.45    386.297  100.758 6.8080  105.357 3.3852  -4.599312      7.603195  
1 1 1 11  61  15 o 75.366  2.9500  3090.76    240.810  2720.20    568.982  3171.62    265.788  69.368  7.7030  76.312  3.2157  -6.943245      8.347311  
1 1 1 11  61  16 o 13.699  5.7121  23.996     140.854  -15.7476   403.616  29.508     150.303  21.609  9.3581  14.235  5.9151  7.373411       11.07081  
1 1 1 11  61  17 o 78.024  3.1052  3319.72    262.414  3103.38    590.430  3372.97    292.936  73.896  7.4800  78.586  3.4416  -4.690018      8.233808  
1 1 1 11  61  18 o 75.688  3.7304  3137.71    305.813  2976.04    579.885  3200.00    359.934  72.139  7.5328  76.153  4.3823  -4.014320      8.714771  
1 1 1 11  61  19 o 59.281  4.3357  1946.47    276.450  1644.59    516.728  2067.52    327.217  52.326  9.4659  60.884  5.0064  -8.558331      10.70828  
1 1 1 11  61  20 o 13.714  6.0375  -37.0663   173.998  276.362    418.571  -102.5423  191.311  25.704  10.160  13.340  6.0635  12.36413       11.83160  
1 1 1 11  61  21 o 12.617  5.7703  -105.2684  176.680  -476.3617  420.325  -25.6301   194.717  16.978  8.1149  14.678  6.4259  2.299939       10.35100  
1 1 1 11  61  22 o 19.299  1.3813  203.389    28.681   12.397     424.721  204.264    28.746   21.356  9.4157  19.340  1.3814  2.016151       9.516473  
1 1 1 11  61  23 o 35.140  7.4143  767.130    273.320  0.0000     0.0000   767.130    273.320  ?       ?       35.140  7.4143  0.000000       7.414272  
1 1 1 11  61  24 o 34.784  7.5531  764.979    276.406  0.0000     0.0000   764.979    276.406  ?       ?       34.784  7.5531  0.000000       7.553072  
1 1 1 11  61  25 o 46.499  5.7759  1291.25    284.625  0.0000     0.0000   1291.25    284.625  ?       ?       46.499  5.7759  0.000000       5.775900  
1 1 1 11  61  26 o 30.691  8.4664  646.104    290.588  0.0000     0.0000   646.104    290.588  ?       ?       30.691  8.4664  0.000000       8.466435  
1 1 1 11  61  27 o 37.085  7.4003  895.716    286.826  0.0000     0.0000   895.716    286.826  ?       ?       37.085  7.4003  0.000000       7.400253  
1 1 1 11  62  0  o 215.544 3.8865  25218.24   907.330  25886.60   1283.15  24549.87   1283.16  218.142 5.4309  212.409 5.5775  5.732971       7.784776  
1 1 1 11  62  1  o 351.035 5.9938  67109.05   2278.87  68346.89   3222.41  65870.59   3223.22  353.295 8.4212  346.762 8.5820  6.532776       12.02360  
1 1 1 11  62  2  o 141.693 3.0944  10889.75   474.901  11341.35   671.368  10437.50   671.855  144.498 4.2897  138.602 4.4754  5.895767       6.199291  
1 1 1 11  62  3  o 157.569 3.2516  13470.13   554.924  12529.22   784.487  14412.45   785.076  151.808 4.7711  162.859 4.4507  -11.05081      6.524766  
1 1 1 11  62  4  o 62.160  2.5654  2095.03    172.719  2270.43    248.645  1931.49    240.102  64.576  3.5688  59.528  3.7430  5.048130       5.171747  
1 1 1 11  62  5  o 188.682 4.2137  19346.83   861.115  18717.49   1506.73  19652.10   1049.38  184.886 7.5242  190.011 5.0990  -5.124985      9.089172  
1 1 1 11  62  6  o 112.766 2.7696  6897.91    338.277  6976.28    713.057  6875.15    384.272  112.933 5.8496  112.552 3.1522  0.3808365      6.644839  
1 1 1 11  62  7  o 84.214  2.3492  3845.79    214.273  5304.72    487.381  3496.24    238.565  98.725  4.5580  80.276  2.7438  18.44839       5.320112  
1 1 1 11  62  8  o 118.012 2.6392  7556.28    337.339  9891.39    774.963  7010.38    374.701  134.638 5.3143  113.634 3.0444  21.00317       6.124540  
1 1 1 11  62  9  o 42.824  3.4424  1003.04    158.319  1050.57    469.725  996.950    168.158  42.549  10.303  42.663  3.6750  -0.1145058     10.93837  
1 1 1 11  62  10 o 104.451 2.8042  5923.85    317.240  7840.59    717.387  5457.91    353.704  119.715 5.5327  100.213 3.2587  19.50175       6.421021  
1 1 1 11  62  11 o 118.636 2.9111  7645.88    374.068  7741.62    755.569  7614.79    430.534  118.812 5.8714  118.334 3.3591  0.4777222      6.764439  
1 1 1 11  62  12 o 66.555  2.2853  2403.90    164.737  2599.31    229.986  2197.99    236.079  69.148  3.0708  63.462  3.4475  5.685497       4.616829  
1 1 1 11  62  13 o 64.502  3.1042  2263.09    216.865  2053.68    528.124  2305.57    237.843  60.114  8.3356  64.990  3.3907  -4.875763      8.998865  
1 1 1 11  62  14 f 123.848 3.0987  8347.41    415.666  7420.03    877.841  8615.43    471.924  115.389 7.0579  125.743 3.4651  -10.35470      7.862623  
1 1 1 11  62  15 o 51.103  1.8945  1417.20    104.863  1210.89    466.196  1428.19    107.620  45.279  9.7912  51.299  1.9369  -6.020061      9.980909  
1 1 1 11  62  16 o 77.437  3.0786  3267.60    258.211  3034.56    577.742  3325.76    288.642  73.228  7.3852  78.068  3.4136  -4.840378      8.135945  
1 1 1 11  62  17 o 33.348  4.8873  625.300    171.287  629.729    446.062  624.534    185.509  32.936  10.816  33.215  5.3373  -0.2792702     12.06159  
1 1 1 11  62  18 o 80.235  3.7119  3527.47    322.576  3594.33    608.663  3501.35    380.390  79.469  7.1479  79.625  4.4282  -0.1554260     8.408462  
1 1 1 11  62  19 o 33.076  1.1297  593.178    40.470   -247.3863  441.226  600.309    40.642   19.711  9.0530  33.274  1.1277  -13.56269      9.122927  
1 1 1 11  62  20 o 31.486  6.0781  575.854    199.773  533.033    449.533  586.393    223.003  30.455  10.834  31.576  6.7264  -1.121540      12.75196  
1 1 1 11  62  21 o 22.582  7.0054  297.710    189.192  457.849    438.928  261.168    209.669  28.517  10.619  21.691  7.4203  6.826054       12.95468  
1 1 1 11  62  22 f 26.342  7.3750  427.560    218.753  0.0000     0.0000   427.560    218.753  ?       ?       26.342  7.3750  0.000000       7.374956  
1 1 1 11  62  23 o 30.130  7.9338  577.831    262.479  0.0000     0.0000   577.831    262.479  ?       ?       30.130  7.9338  0.000000       7.933768  
1 1 1 11  62  24 o 17.539  7.3161  89.381     231.208  0.0000     0.0000   89.381     231.208  ?       ?       17.539  7.3161  0.000000       7.316142  
1 1 1 11  62  25 o 12.248  5.9345  -334.2100  243.433  0.0000     0.0000   -334.2100  243.433  ?       ?       12.248  5.9345  0.000000       5.934484  
1 1 1 11  62  26 o 18.513  7.6133  141.557    245.477  0.0000     0.0000   141.557    245.477  ?       ?       18.513  7.6133  0.000000       7.613259  
1 1 1 11  63  0  o 278.313 4.9989  42125.29   1506.86  40801.23   2130.82  43449.88   2131.24  273.285 7.1988  282.091 6.9754  -8.805878      10.02394  
1 1 1 11  63  1  f 155.175 3.3815  13066.09   568.334  13052.82   803.855  13079.36   803.636  154.943 4.7900  155.101 4.7838  -0.1582794     6.769730  
1 1 1 11  63  2  o 149.524 3.1480  12129.25   509.815  11948.94   720.236  12310.31   721.741  148.273 4.4848  150.505 4.4275  -2.232239      6.302086  
1 1 1 11  63  3  o 226.169 3.9766  27783.96   974.128  27525.75   1377.95  28041.92   1377.30  224.774 5.6600  226.885 5.6047  -2.110947      7.965448  
1 1 1 11  63  4  o 115.370 2.7552  7219.10    344.279  6987.02    488.621  7447.90    485.166  113.407 3.9780  117.101 3.8252  -3.694519      5.518768  
1 1 1 11  63  5  o 208.428 4.3787  23624.22   988.494  24174.37   1727.28  23356.29   1205.40  209.967 7.5952  207.025 5.3757  2.942596       9.305160  
1 1 1 11  63  6  o 46.922  2.7580  1198.61    139.548  1519.02    362.401  1142.83    151.208  52.301  6.5405  45.784  3.0669  6.516499       7.223860  
1 1 1 11  63  7  o 149.232 3.0273  12089.36   489.313  14861.62   1102.00  11408.57   546.099  164.837 6.1724  144.913 3.4793  19.92398       7.085504  
1 1 1 11  63  8  o 86.231  2.8128  4036.16    262.703  4528.88    624.344  3930.15    289.586  90.692  6.3970  85.067  3.1430  5.624924       7.127458  
1 1 1 11  63  9  o 80.143  2.4845  3485.18    215.659  3581.53    348.996  3425.67    274.297  81.119  3.9722  79.405  3.1894  1.713814       5.094138  
1 1 1 11  63  10 o 38.617  3.6301  818.422    150.052  623.182    461.196  841.536    158.685  33.665  10.996  39.140  3.7907  -5.474945      11.63066  
1 1 1 11  63  11 o 95.574  2.8039  4961.70    290.257  6426.86    666.982  4619.40    322.384  108.118 5.7160  92.174  3.2292  15.94392       6.565110  
1 1 1 11  63  12 o 111.177 2.9982  6719.62    361.037  6176.86    779.334  6867.93    407.390  105.531 6.8554  112.344 3.3480  -6.813560      7.629284  
1 1 1 11  63  13 o 130.616 3.1122  9282.55    440.286  8644.88    928.468  9467.54    500.091  124.735 6.8992  131.829 3.5024  -7.093430      7.737311  
1 1 1 11  63  14 o 53.932  3.4090  1591.15    198.110  1540.67    489.787  1601.02    216.621  51.542  9.1065  54.048  3.7232  -2.505299      9.838233  
1 1 1 11  63  15 o 8.4518  2.5603  39.028     25.460   424.043    410.710  37.543     25.509   28.830  10.345  8.3252  2.5706  20.50511       10.65926  
1 1 1 11  63  16 o 13.759  5.7898  16.447     146.747  199.519    410.368  -10.3961   157.137  24.789  9.9722  13.613  5.8672  11.17666       11.57016  
1 1 1 11  63  17 f 67.415  2.1334  2469.96    155.777  2604.42    258.008  2392.82    195.414  69.029  3.4509  66.280  2.7221  2.748177       4.395285  
1 1 1 11  63  18 o 101.051 3.6710  5596.47    401.791  5029.55    734.391  5838.65    480.001  93.935  7.2750  102.985 4.3032  -9.050514      8.452395  
1 1 1 11  63  19 o 79.857  3.1088  3486.34    268.894  3176.89    610.386  3560.86    299.524  74.126  7.7158  80.623  3.4300  -6.497978      8.443823  
1 1 1 11  63  20 o 61.055  3.6070  2056.69    237.468  2212.22    533.483  2018.26    265.190  61.064  8.2796  60.324  4.0828  0.7397270      9.231567  
1 1 1 11  63  21 o 36.673  5.2841  773.108    203.832  221.041    462.249  906.365    227.104  24.932  10.368  39.702  5.4232  -14.76925      11.70047  
1 1 1 11  63  22 o 19.637  7.3803  193.153    212.978  0.0000     0.0000   193.153    212.978  ?       ?       19.637  7.3803  0.000000       7.380252  
1 1 1 11  63  23 o 55.971  5.3561  1816.56    320.736  0.0000     0.0000   1816.56    320.736  ?       ?       55.971  5.3561  0.000000       5.356075  
1 1 1 11  63  24 o 34.871  7.2412  764.027    264.545  0.0000     0.0000   764.027    264.545  ?       ?       34.871  7.2412  0.000000       7.241202  
1 1 1 11  63  25 o 27.414  7.9894  497.993    251.751  0.0000     0.0000   497.993    251.751  ?       ?       27.414  7.9894  0.000000       7.989377  
1 1 1 11  63  26 o 20.539  8.1824  220.177    273.485  0.0000     0.0000   220.177    273.485  ?       ?       20.539  8.1824  0.000000       8.182441  
1 1 1 11  64  0  o 216.358 4.0274  25426.77   943.762  25291.08   1334.71  25562.44   1334.65  215.451 5.7196  216.611 5.6887  -1.159821      8.066974  
1 1 1 11  64  1  o 92.828  2.6833  4672.91    269.789  4560.75    382.148  4784.35    380.933  91.641  3.8501  93.867  3.7468  -2.226440      5.372336  
1 1 1 11  64  2  o 39.134  2.9430  835.473    123.832  918.306    177.105  756.245    173.209  40.915  4.0497  37.040  4.4037  3.874290       5.982726  
1 1 1 11  64  3  o 140.419 2.9739  10697.70   452.290  10459.06   652.356  10918.60   627.630  138.701 4.3425  141.746 4.0881  -3.045715      5.964022  
1 1 1 11  64  4  o 92.821  2.5245  4672.48    253.801  4485.11    342.513  4900.63    377.956  90.883  3.4795  94.985  3.6738  -4.102066      5.060035  
1 1 1 11  64  5  o 155.542 3.7754  13146.57   636.031  13566.82   1243.68  12997.72   740.141  157.278 7.3008  154.561 4.4212  2.716965       8.535162  
1 1 1 11  64  6  o 104.525 2.8146  5928.86    318.648  6677.92    724.626  5749.29    354.793  110.353 6.0862  102.900 3.1834  7.452301       6.868436  
1 1 1 11  64  7  o 130.555 3.0285  9254.71    428.246  9743.90    925.793  9121.55    483.031  133.358 6.4095  129.563 3.4421  3.794434       7.275298  
1 1 1 11  64  8  o 72.662  2.4569  2864.62    193.359  2730.08    300.548  2959.64    252.568  70.723  3.9392  73.812  3.1592  -3.089088      5.049558  
1 1 1 11  64  9  o 111.764 2.8994  6783.96    350.976  7655.52    776.092  6559.89    393.516  118.003 6.0931  109.856 3.3073  8.146927       6.932775  
1 1 1 11  64  10 o 94.416  2.8542  4842.05    291.879  5205.00    667.218  4756.15    324.584  97.115  6.3787  93.539  3.2038  3.576172       7.138090  
1 1 1 11  64  11 o 15.372  5.5888  106.459    120.383  100.780    428.649  106.945    125.432  24.052  9.9912  15.553  5.6971  8.499519       11.50138  
1 1 1 11  64  12 o 78.196  2.8813  3323.91    244.025  4138.51    582.955  3150.84    268.699  86.431  6.2699  76.093  3.2603  10.33862       7.066885  
1 1 1 11  64  13 o 43.793  3.6601  1052.72    172.017  1522.91    470.754  980.263    184.796  51.411  8.7687  42.174  4.0972  9.236187       9.678737  
1 1 1 11  64  14 o 61.725  3.1911  2080.40    212.606  2332.41    514.948  2028.62    233.430  64.220  7.5471  60.889  3.5550  3.331783       8.342495  
1 1 1 11  64  15 o 37.602  1.3940  766.656    56.774   722.917    437.624  767.404    57.258   35.026  10.616  37.620  1.4052  -2.594570      10.70866  
1 1 1 11  64  16 o 15.112  2.5331  127.591    39.995   114.960    41.144   344.323    170.428  14.292  2.7578  24.413  6.3760  -10.12073      6.946871  
1 1 1 11  64  17 o 33.893  1.4479  623.155    53.152   986.735    440.017  617.771    53.544   40.299  10.101  33.745  1.4650  6.553600       10.20640  
1 1 1 11  64  18 o 88.856  3.6065  4326.68    347.090  4480.09    657.381  4267.39    408.701  88.815  6.8876  88.032  4.2864  0.7829819      8.112515  
1 1 1 11  64  19 o 93.460  3.7308  4798.61    377.653  4389.81    687.650  4975.17    451.904  87.372  7.3344  94.901  4.3965  -7.529648      8.551150  
1 1 1 11  64  20 o 63.619  2.4002  2207.98    165.386  1909.54    535.635  2239.43    173.883  55.962  9.1536  64.049  2.5065  -8.087170      9.490536  
1 1 1 11  64  21 o 31.731  5.7244  590.039    189.497  565.352    455.561  595.204    208.380  30.105  10.883  31.639  6.3021  -1.534443      12.57614  
1 1 1 11  64  22 o 18.789  7.4389  147.616    224.748  0.0000     0.0000   147.616    224.748  ?       ?       18.789  7.4389  0.000000       7.438948  
1 1 1 11  64  23 o 49.332  6.1947  1448.28    323.689  0.0000     0.0000   1448.28    323.689  ?       ?       49.332  6.1947  0.000000       6.194650  
1 1 1 11  64  24 o 18.753  7.9702  93.833     282.627  0.0000     0.0000   93.833     282.627  ?       ?       18.753  7.9702  0.000000       7.970225  
1 1 1 11  64  25 o 28.207  8.5289  540.593    282.714  0.0000     0.0000   540.593    282.714  ?       ?       28.207  8.5289  0.000000       8.528940  
1 1 1 11  64  26 o 21.180  8.0126  262.972    251.979  0.0000     0.0000   262.972    251.979  ?       ?       21.180  8.0126  0.000000       8.012609  
1 1 1 11  65  0  o 191.146 3.6341  19840.31   752.379  19597.42   1063.74  20083.47   1064.31  189.708 5.1770  192.058 5.1164  -2.350372      7.278672  
1 1 1 11  65  1  o 42.606  3.0020  989.772    137.646  914.051    195.311  1064.49    194.018  40.752  4.5000  44.067  4.1125  -3.315823      6.096123  
1 1 1 11  65  2  o 58.528  2.7504  1858.16    174.350  1639.87    246.635  2076.21    246.501  54.765  4.1898  61.715  3.7048  -6.950562      5.592860  
1 1 1 11  65  3  o 152.316 3.1318  12592.38   516.668  12322.78   730.883  12861.67   730.474  150.499 4.4838  153.770 4.3859  -3.270767      6.272215  
1 1 1 11  65  4  o 84.246  2.7583  3850.73    251.690  3584.99    357.953  4110.58    353.968  81.096  4.0884  86.974  3.7575  -5.877510      5.552854  
1 1 1 11  65  5  o 81.076  3.3666  3570.32    295.630  3583.40    601.987  3566.17    339.372  80.545  6.9692  80.990  3.8688  -0.4454651     7.970977  
1 1 1 11  65  6  o 95.661  2.8328  4967.00    293.511  5058.73    677.533  4945.81    325.654  95.852  6.5658  95.431  3.1506  0.4203033      7.282556  
1 1 1 11  65  7  o 94.378  2.6294  4833.82    268.776  4816.89    483.022  4841.41    323.483  93.869  4.7665  94.408  3.1635  -0.5382538     5.720808  
1 1 1 11  65  8  o 14.902  5.3880  100.818    111.665  -141.5396  430.733  118.280    115.618  21.100  9.3831  15.664  5.5021  5.436281       10.87733  
1 1 1 11  65  9  o 178.929 3.4640  17412.00   671.321  18905.48   1386.43  16954.60   767.265  185.277 6.9089  176.434 4.0151  8.842834       7.990808  
1 1 1 11  65  10 o 127.814 3.0981  8879.92    428.884  8513.38    904.885  8986.11    487.067  124.114 6.7568  128.511 3.4993  -4.396400      7.609152  
1 1 1 11  65  11 o 10.926  4.8450  -39.2944   114.050  -194.8299  422.975  -27.0995   118.437  20.211  9.1177  11.438  5.0095  8.772285       10.40322  
1 1 1 11  65  12 o 87.667  2.5876  4175.44    245.702  4235.77    414.546  4142.77    305.059  88.043  4.3472  87.246  3.2282  0.7965012      5.414762  
1 1 1 11  65  13 o 80.371  2.9716  3514.32    258.681  3060.19    596.083  3619.70    287.127  73.723  7.5726  81.530  3.2515  -7.807335      8.241196  
1 1 1 11  65  14 o 87.356  2.9513  4153.80    279.242  4289.54    626.634  4120.17    311.926  87.635  6.6515  86.945  3.3124  0.6904297      7.430613  
1 1 1 11  65  15 o 87.156  2.6627  4133.02    251.354  4333.32    419.293  4020.67    314.037  88.896  4.3548  85.841  3.3777  3.054604       5.511155  
1 1 1 11  65  16 o 83.795  3.0081  3828.31    273.011  4944.70    613.290  3552.41    304.886  94.095  6.0497  80.625  3.4914  13.47055       6.984908  
1 1 1 11  65  17 o 90.900  2.7401  4503.32    269.773  4501.42    653.873  4503.71    296.154  89.193  6.8202  90.844  3.0099  -1.651611      7.454840  
1 1 1 11  65  18 o 15.888  6.5501  51.832     182.260  475.478    429.159  -41.3919   201.317  29.513  10.576  14.771  6.4987  14.74132       12.41310  
1 1 1 11  65  19 o 56.478  4.6331  1779.37    280.919  2111.44    520.981  1643.24    333.565  59.789  8.2662  53.809  5.8159  5.979618       10.10716  
1 1 1 11  65  20 o 40.806  1.8101  905.890    80.001   418.647    469.355  920.470    81.189   28.186  10.869  41.131  1.8224  -12.94580      11.02031  
1 1 1 11  65  21 o 20.304  7.5266  211.444    220.015  0.0000     0.0000   211.444    220.015  ?       ?       20.304  7.5266  0.000000       7.526605  
1 1 1 11  65  22 o 35.098  7.8295  773.623    290.073  0.0000     0.0000   773.623    290.073  ?       ?       35.098  7.8295  0.000000       7.829527  
1 1 1 11  65  23 o 17.567  7.3470  84.146     234.036  0.0000     0.0000   84.146     234.036  ?       ?       17.567  7.3470  0.000000       7.346994  
1 1 1 11  65  24 o 23.413  8.0916  342.999    249.571  0.0000     0.0000   342.999    249.571  ?       ?       23.413  8.0916  0.000000       8.091614  
1 1 1 11  65  25 o 19.518  8.0398  161.487    274.314  0.0000     0.0000   161.487    274.314  ?       ?       19.518  8.0398  0.000000       8.039802  
1 1 1 11  66  0  o 86.065  2.7198  4018.17    253.536  3959.02    357.383  4078.10    359.736  85.357  3.8657  86.633  3.8338  -1.276619      5.444409  
1 1 1 11  66  1  o 88.513  2.7588  4250.29    264.478  4107.40    373.945  4393.31    374.112  86.930  3.9716  89.915  3.8415  -2.985313      5.525451  
1 1 1 11  66  2  o 38.141  1.6146  788.295    66.699   798.034    72.057   730.015    176.270  38.374  1.7337  36.341  4.5799  2.032345       4.897081  
1 1 1 11  66  3  o 32.986  3.2090  596.318    113.195  641.948    163.273  554.088    157.072  34.046  4.5410  31.553  4.7427  2.492226       6.566119  
1 1 1 11  66  4  o 16.835  5.4477  149.913    113.334  440.005    343.820  114.550    120.043  28.768  9.4986  15.678  5.5961  13.08920       11.02450  
1 1 1 11  66  5  o 27.445  0.9628  408.014    28.621   423.368    29.244   59.067     139.415  27.956  0.9658  14.635  5.8385  13.32101       5.917850  
1 1 1 11  66  6  o 80.946  3.2593  3559.70    285.747  4213.15    575.808  3346.19    329.135  87.506  6.1138  78.429  3.8746  9.076759       7.238142  
1 1 1 11  66  7  o 19.323  5.2022  210.874    111.293  -135.8658  413.609  237.939    115.555  20.695  9.1993  20.480  5.1999  0.2152233      10.56726  
1 1 1 11  66  8  o 68.017  2.9057  2512.69    214.061  3029.73    552.257  2421.27    232.215  73.862  6.9862  66.746  3.2121  7.115761       7.689230  
1 1 1 11  66  9  o 37.582  3.7073  776.164    148.939  441.645    464.401  814.516    157.245  30.269  10.981  38.491  3.8224  -8.221788      11.62741  
1 1 1 11  66  10 o 84.219  2.9100  3854.48    265.446  3680.30    624.001  3892.96    293.308  81.292  7.1601  84.608  3.2007  -3.315353      7.842958  
1 1 1 11  66  11 o 84.911  2.5632  3916.25    235.734  3536.27    619.080  3980.69    254.940  79.548  7.2655  85.588  2.7502  -6.039627      7.768619  
1 1 1 11  66  12 o 161.394 3.4195  14187.80   597.742  13060.18   1235.43  14532.45   683.008  153.210 7.4450  163.212 3.8637  -10.00241      8.387815  
1 1 1 11  66  13 o 63.657  3.1072  2206.04    214.234  2147.58    530.870  2217.41    234.146  61.382  8.1893  63.698  3.4062  -2.316105      8.869407  
1 1 1 11  66  14 o 70.954  3.1195  2742.78    239.734  1866.98    561.800  2937.76    265.081  56.512  9.5167  73.401  3.3343  -16.88953      10.08387  
1 1 1 11  66  15 o 23.804  6.1940  326.628    161.224  555.341    435.674  290.338    173.544  31.489  10.697  22.594  6.6472  8.894543       12.59383  
1 1 1 11  66  16 o 68.341  3.1898  2549.40    236.113  2063.79    546.846  2660.67    261.771  59.465  8.7523  69.768  3.4642  -10.30260      9.412916  
1 1 1 11  66  17 o 69.558  3.1902  2643.55    240.344  2751.42    557.051  2618.88    266.417  69.221  7.5525  69.065  3.5737  0.1559219      8.355346  
1 1 1 11  66  18 o 12.671  5.7770  -102.8968  175.367  -272.5328  293.108  -8.3162    218.861  15.086  7.0797  15.986  6.9071  -0.8993940     9.890910  
1 1 1 11  66  19 o 25.281  7.5944  376.211    224.689  454.170    458.340  351.549    257.791  29.032  10.843  24.815  8.2263  4.217579       13.61067  
1 1 1 11  66  20 o 14.864  6.2946  25.141     175.230  429.428    438.780  -51.5729   191.134  27.858  10.565  14.022  6.2421  13.83623       12.27142  
1 1 1 11  66  21 o 11.843  2.3256  79.345     28.767   0.0000     0.0000   79.345     28.767   ?       ?       11.843  2.3256  0.000000       2.325615  
1 1 1 11  66  22 o 41.498  6.5534  1034.42    284.773  0.0000     0.0000   1034.42    284.773  ?       ?       41.498  6.5534  0.000000       6.553372  
1 1 1 11  66  23 o 59.441  5.3075  2054.66    338.106  0.0000     0.0000   2054.66    338.106  ?       ?       59.441  5.3075  0.000000       5.307454  
1 1 1 11  66  24 o 16.795  7.4146  1.6565     264.259  0.0000     0.0000   1.6565     264.259  ?       ?       16.795  7.4146  0.000000       7.414643  
1 1 1 11  66  25 o 16.646  7.4124  -10.7437   269.750  0.0000     0.0000   -10.7437   269.750  ?       ?       16.646  7.4124  0.000000       7.412368  
1 1 1 11  67  0  o 68.438  2.6583  2540.94    197.043  2416.22    275.595  2671.36    281.832  66.564  3.8389  70.014  3.7300  -3.450172      5.352557  
1 1 1 11  67  1  o 16.890  4.9775  157.840    97.237   242.507    146.109  90.530     130.275  20.869  6.0877  15.221  5.7606  5.648127       8.381250  
1 1 1 11  67  2  o 154.392 3.3364  12946.61   557.925  12336.99   789.003  13556.28   789.047  150.471 4.8412  157.775 4.6174  -7.304062      6.690091  
1 1 1 11  67  3  o 83.497  2.6948  3783.02    243.702  3519.67    350.121  4030.53    339.422  80.441  4.0186  86.115  3.6391  -5.674095      5.421426  
1 1 1 11  67  4  o 149.495 3.2967  12140.64   533.796  12070.85   761.172  12208.18   748.784  148.823 4.7222  149.688 4.6185  -0.8647308     6.605256  
1 1 1 11  67  5  o 209.206 4.0472  23819.06   917.054  22835.04   1301.47  24789.39   1292.39  204.281 5.8822  212.945 5.6035  -8.664017      8.123957  
1 1 1 11  67  6  o 54.973  3.5784  1650.16    211.903  1842.54    479.193  1603.39    236.258  57.242  7.9431  54.120  4.0601  3.122101       8.920635  
1 1 1 11  67  7  o 165.024 3.3089  14803.04   591.424  16227.65   1226.52  14371.45   675.093  171.839 6.5900  162.497 3.8357  9.341690       7.624977  
1 1 1 11  67  8  o 236.816 4.2325  30568.41   1085.62  32327.82   2203.91  30004.73   1247.47  241.233 8.4350  234.359 4.9145  6.874084       9.762281  
1 1 1 11  67  9  o 63.415  3.0109  2185.66    206.805  2220.71    531.637  2179.41    224.486  62.781  8.0002  63.218  3.2899  -0.4374695     8.650256  
1 1 1 11  67  10 o 190.025 3.6785  19670.97   757.090  22469.17   1556.10  18803.18   866.570  201.460 7.1314  185.581 4.3112  15.87845       8.333306  
1 1 1 11  67  11 o 100.353 2.8382  5474.66    308.497  7132.29    702.019  5077.95    343.434  113.891 5.6910  96.587  3.2829  17.30378       6.570009  
1 1 1 11  67  12 o 113.003 2.9828  6947.29    365.077  7447.01    795.171  6813.83    410.949  115.895 6.3590  111.837 3.3926  4.057800       7.207412  
1 1 1 11  67  13 o 94.900  2.9389  4901.60    302.083  4690.58    677.456  4953.97    337.493  91.586  6.8797  95.350  3.2679  -3.764275      7.616382  
1 1 1 11  67  14 o 105.380 2.9697  6048.27    338.949  6552.71    741.461  5915.00    381.100  108.426 6.3414  104.126 3.3792  4.300026       7.185513  
1 1 1 11  67  15 o 46.120  3.8380  1171.98    189.980  1204.36    475.074  1165.81    207.274  44.771  10.044  45.917  4.2148  -1.146130      10.89270  
1 1 1 11  67  16 o 74.598  3.1319  3037.82    253.047  3228.78    579.145  2992.77    281.321  75.341  7.1842  73.967  3.5115  1.374779       7.996465  
1 1 1 11  67  17 o 100.257 3.0878  5489.88    335.296  5503.21    720.760  5486.19    378.778  98.586  6.7915  100.105 3.4935  -1.519028      7.637305  
1 1 1 11  67  18 o 48.287  4.6551  1302.22    240.449  1511.55    487.086  1234.78    276.486  49.992  9.3391  46.703  5.5762  3.289558       10.87716  
1 1 1 11  67  19 o 26.631  7.5093  424.390    225.956  467.325    461.152  410.826    259.203  29.106  10.875  26.303  8.2064  2.802633       13.62423  
1 1 1 11  67  20 o 31.027  5.9453  567.473    192.523  559.357    467.671  569.129    211.254  30.090  11.004  30.842  6.5275  -0.7520256     12.79434  
1 1 1 11  67  21 o 48.876  5.4770  1382.43    284.955  0.0000     0.0000   1382.43    284.955  ?       ?       48.876  5.4770  0.000000       5.476992  
1 1 1 11  67  22 o 89.916  4.3365  4557.75    422.326  0.0000     0.0000   4557.75    422.326  ?       ?       89.916  4.3365  0.000000       4.336491  
1 1 1 11  67  23 o 30.744  7.7475  607.881    257.881  0.0000     0.0000   607.881    257.881  ?       ?       30.744  7.7475  0.000000       7.747489  
1 1 1 11  67  24 o 20.359  8.1723  198.127    274.947  0.0000     0.0000   198.127    274.947  ?       ?       20.359  8.1723  0.000000       8.172264  
1 1 1 11  67  25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  68  0  o 72.739  2.3751  2869.68    187.120  2805.93    237.455  2974.11    303.941  71.891  3.0496  73.865  3.8121  -1.973824      4.881813  
1 1 1 11  68  1  o 157.324 3.1658  13440.83   539.454  14443.76   766.872  12458.40   758.995  162.891 4.3467  151.229 4.6338  11.66193       6.353379  
1 1 1 11  68  2  o 200.172 3.7109  21783.52   804.547  22353.41   1140.36  21218.72   1135.26  202.396 5.2020  197.159 5.3163  5.237000       7.437973  
1 1 1 11  68  3  o 113.274 3.0132  6967.08    369.685  6767.88    528.939  7157.30    516.895  111.479 4.3807  114.673 4.1617  -3.193428      6.042356  
1 1 1 11  68  4  o 159.412 3.3759  13809.89   582.875  13678.83   826.577  13939.52   822.062  158.369 4.8188  159.888 4.7470  -1.518646      6.764256  
1 1 1 11  68  5  o 100.367 2.5731  5466.99    279.716  5466.44    379.264  5467.64    414.195  100.273 3.4921  100.246 3.8148  0.2680969E-01  5.171772  
1 1 1 11  68  6  o 46.066  3.9301  1163.48    194.216  1149.23    458.830  1166.59    214.367  44.537  9.7795  46.066  4.3479  -1.528332      10.70246  
1 1 1 11  68  7  o 94.380  3.6211  4846.48    370.161  4004.57    693.986  5181.24    437.608  84.793  7.6385  97.515  4.1433  -12.72251      8.689863  
1 1 1 11  68  8  o 49.943  3.2948  1362.28    177.225  886.165    499.933  1430.71    189.535  39.010  11.227  51.169  3.4399  -12.15828      11.74203  
1 1 1 11  68  9  o 69.281  2.3315  2605.36    174.951  2627.55    256.240  2585.98    239.449  69.486  3.4047  68.953  3.2062  0.5328217      4.676727  
1 1 1 11  68  10 o 48.303  3.3766  1276.23    175.541  1635.60    494.531  1224.42    187.769  53.370  8.8663  47.260  3.6977  6.109810       9.606453  
1 1 1 11  68  11 o 42.246  3.5200  979.049    159.598  1260.09    476.848  943.595    169.366  46.359  9.8032  41.421  3.8181  4.937500       10.52051  
1 1 1 11  68  12 o 139.037 3.2290  10528.36   486.262  11679.69   1044.50  10209.79   549.433  145.124 6.6451  136.795 3.7083  8.329178       7.609786  
1 1 1 11  68  13 o 82.173  2.9723  3676.36    264.538  4022.17    614.220  3597.61    293.116  84.772  6.7454  81.232  3.3315  3.539642       7.523282  
1 1 1 11  68  14 o 53.210  3.4850  1552.47    199.739  1398.88    504.909  1580.97    217.480  48.456  9.9535  53.643  3.7670  -5.187603      10.64250  
1 1 1 11  68  15 o 31.310  5.2235  555.446    170.897  353.742    450.838  589.292    184.680  27.919  10.680  32.202  5.4920  -4.282951      12.00969  
1 1 1 11  68  16 o 11.400  5.2446  -107.0744  148.923  373.004    428.579  -173.0006  158.819  27.781  10.464  10.912  5.1488  16.86880       11.66195  
1 1 1 11  68  17 o 42.335  4.2988  996.848    194.379  1192.44    476.320  957.768    212.915  44.086  10.181  41.342  4.8470  2.744743       11.27582  
1 1 1 11  68  18 f 70.384  2.9361  2708.39    223.828  3153.06    568.296  2626.74    243.511  73.929  7.1881  69.242  3.2470  4.687302       7.887484  
1 1 1 11  68  19 o 43.758  5.3686  1093.12    249.108  871.709    488.274  1171.03    289.638  36.439  11.246  44.988  6.1015  -8.549370      12.79457  
1 1 1 11  68  20 f 13.015  5.8750  -71.3903   175.932  0.0000     0.0000   -71.3903   175.932  ?       ?       13.015  5.8750  0.000000       5.875019  
1 1 1 11  68  21 o 29.107  7.7968  532.030    250.742  0.0000     0.0000   532.030    250.742  ?       ?       29.107  7.7968  0.000000       7.796832  
1 1 1 11  68  22 o 32.276  7.8024  661.657    269.741  0.0000     0.0000   661.657    269.741  ?       ?       32.276  7.8024  0.000000       7.802391  
1 1 1 11  68  23 o 19.766  7.9629  171.462    262.074  0.0000     0.0000   171.462    262.074  ?       ?       19.766  7.9629  0.000000       7.962885  
1 1 1 11  68  24 o 37.068  7.7933  892.647    302.962  0.0000     0.0000   892.647    302.962  ?       ?       37.068  7.7933  0.000000       7.793280  
1 1 1 11  68  25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  69  0  o 37.380  3.3039  764.969    132.388  556.191    188.299  969.050    186.169  31.419  5.7451  41.996  4.1471  -10.57677      7.085498  
1 1 1 11  69  1  o 134.217 3.0517  9782.30    443.627  10269.28   632.046  9309.43    622.821  137.342 4.2489  130.741 4.3983  6.600662       6.115388  
1 1 1 11  69  2  o 87.802  2.6689  4183.85    253.810  3728.31    333.206  4813.50    391.739  82.801  3.7154  94.069  3.8449  -11.26794      5.346706  
1 1 1 11  69  3  o 88.037  2.6168  4206.23    249.521  4046.44    328.782  4423.27    383.185  86.274  3.5185  90.160  3.9240  -3.885620      5.270413  
1 1 1 11  69  4  o 43.139  3.4156  1017.86    158.287  877.893    235.699  1132.85    213.627  39.675  5.6441  45.386  4.4011  -5.711357      7.157168  
1 1 1 11  69  5  o 49.973  3.3028  1363.23    177.757  1235.03    271.458  1459.46    235.196  47.225  5.4044  51.586  4.2473  -4.360077      6.873621  
1 1 1 11  69  6  o 140.612 3.3865  10750.89   515.755  12052.88   938.762  10187.99   617.256  148.292 5.8448  136.739 4.1678  11.55215       7.178560  
1 1 1 11  69  7  o 41.903  3.3407  960.904    150.357  1667.71    451.707  872.833    159.449  54.327  7.9087  39.869  3.7361  14.45837       8.746774  
1 1 1 11  69  8  f 91.784  2.7360  4576.17    271.984  5738.87    642.427  4322.25    300.217  102.071 5.8352  89.161  3.1088  12.91016       6.611674  
1 1 1 11  69  9  o 62.738  3.0079  2140.19    204.392  3066.57    532.646  1980.23    221.336  74.230  6.6972  60.220  3.4075  14.01009       7.514212  
1 1 1 11  69  10 o 86.590  2.8861  4076.51    270.679  4352.94    635.418  4015.23    299.182  88.486  6.6792  85.896  3.2158  2.590439       7.413073  
1 1 1 11  69  11 o 23.424  5.5100  313.667    137.451  410.609    450.555  303.718    144.331  29.274  10.786  23.040  5.7905  6.233486       12.24223  
1 1 1 11  69  12 o 96.599  2.6978  5074.61    282.267  5315.68    689.201  5026.02    309.406  97.672  6.5528  96.093  2.9728  1.579071       7.195638  
1 1 1 11  69  13 o 56.629  3.3244  1754.88    203.010  2582.20    518.468  1605.07    220.626  67.597  7.1919  54.063  3.7918  13.53405       8.130237  
1 1 1 11  69  14 o 33.750  4.6824  637.757    166.549  845.706    462.744  606.810    178.512  37.461  10.807  32.782  5.2013  4.679016       11.99366  
1 1 1 11  69  15 o 100.710 3.0091  5532.27    328.235  5765.06    727.439  5472.76    367.806  101.204 6.6738  100.070 3.3935  1.133591       7.487031  
1 1 1 11  69  16 o 93.690  3.0833  4792.69    312.877  3940.62    686.139  5016.38    351.555  82.883  7.7325  95.770  3.3892  -12.88694      8.442652  
1 1 1 11  69  17 o 82.320  3.1929  3707.02    284.681  3688.87    623.494  3711.80    319.982  80.187  7.2575  82.264  3.5912  -2.076935      8.097463  
1 1 1 11  69  18 o 65.620  2.6811  2352.10    190.553  1984.93    542.757  2403.72    203.507  57.292  9.0470  66.303  2.8339  -9.011112      9.480443  
1 1 1 11  69  19 o 40.846  5.6825  963.797    244.589  380.926    475.594  1173.39    285.194  27.430  10.834  44.980  6.0038  -17.55078      12.38597  
1 1 1 11  69  20 o 28.999  7.1767  516.585    224.191  0.0000     0.0000   516.585    224.191  ?       ?       28.999  7.1767  0.000000       7.176684  
1 1 1 11  69  21 o 29.712  7.6534  553.921    247.802  0.0000     0.0000   553.921    247.802  ?       ?       29.712  7.6534  0.000000       7.653373  
1 1 1 11  69  22 o 36.705  7.2063  836.150    276.264  0.0000     0.0000   836.150    276.264  ?       ?       36.705  7.2063  0.000000       7.206303  
1 1 1 11  69  23 o 22.737  8.2955  309.403    265.562  0.0000     0.0000   309.403    265.562  ?       ?       22.737  8.2955  0.000000       8.295521  
1 1 1 11  69  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  70  0  o 161.052 3.4193  14097.38   596.448  14137.70   842.526  14056.87   844.487  160.994 4.8317  160.527 4.8571  0.4669647      6.851027  
1 1 1 11  70  1  o 12.248  5.2325  -3.5705    122.960  59.231     164.993  -82.0192   184.405  15.632  6.3110  13.566  6.0782  2.066655       8.762026  
1 1 1 11  70  2  o 143.318 3.2209  11160.30   499.974  10511.77   705.413  11814.97   708.740  138.835 4.6911  147.243 4.4441  -8.407257      6.461902  
1 1 1 11  70  3  o 116.205 3.0074  7334.53    378.514  7271.57    535.972  7397.18    534.630  115.531 4.2833  116.532 4.2358  -1.001251      6.024002  
1 1 1 11  70  4  o 83.507  2.8644  3786.97    259.076  3637.75    364.996  3938.49    367.797  81.619  4.1424  85.051  3.9926  -3.431458      5.753302  
1 1 1 11  70  5  o 50.696  3.2032  1402.42    174.980  1457.89    267.511  1360.95    231.333  51.447  4.8583  49.780  4.3338  1.666943       6.510380  
1 1 1 11  70  6  o 126.345 3.5220  8685.20    481.962  9182.42    876.917  8470.00    576.909  129.264 6.2634  124.633 4.2737  4.630211       7.582550  
1 1 1 11  70  7  o 201.666 3.9796  22165.63   869.248  19309.32   1768.29  23075.78   998.178  185.950 8.7798  205.589 4.4827  -19.63907      9.857993  
1 1 1 11  70  8  o 226.343 4.2431  27961.50   1040.22  27173.84   2110.31  28214.31   1195.55  220.287 8.8448  227.088 4.8608  -6.800919      10.09242  
1 1 1 11  70  9  o 106.431 2.8779  6157.87    331.752  6793.88    744.161  6000.12    370.619  110.855 6.2230  105.003 3.2588  5.852844       7.024627  
1 1 1 11  70  10 o 121.136 2.8860  7979.64    378.653  9932.04    764.010  7343.92    435.963  134.506 5.2443  116.104 3.4668  18.40229       6.286608  
1 1 1 11  70  11 o 110.986 2.8412  6700.34    341.543  7102.77    661.657  6554.15    398.779  113.627 5.3763  109.673 3.3571  3.953285       6.338335  
1 1 1 11  70  12 o 35.924  4.1260  715.035    157.628  773.262    469.029  707.621    167.362  36.202  10.994  35.674  4.4266  0.5276604      11.85203  
1 1 1 11  70  13 o 18.142  6.0888  172.562    141.148  -119.1859  442.201  205.659    148.939  21.318  9.4920  19.434  6.2405  1.884443       11.35972  
1 1 1 11  70  14 o 39.717  1.6749  856.032    72.051   890.671    78.430   668.690    182.399  40.506  1.7877  34.475  5.0331  6.031067       5.341153  
1 1 1 11  70  15 o 20.227  6.3304  227.982    154.107  -227.1741  449.062  288.740    164.070  20.230  9.2317  22.428  6.4249  -2.197842      11.24739  
1 1 1 11  70  16 o 62.481  3.4329  2142.78    231.427  2203.48    541.747  2129.23    255.957  61.436  8.3585  62.185  3.8187  -0.7488937     9.189487  
1 1 1 11  70  17 o 67.477  2.4261  2481.10    177.312  2724.31    238.898  2182.81    264.576  70.562  3.1259  62.867  3.9049  7.695824       5.001945  
1 1 1 11  70  18 o 76.981  3.0894  3250.14    257.595  3015.86    606.972  3301.61    284.485  71.318  7.9954  77.489  3.3896  -6.171059      8.684202  
1 1 1 11  70  19 o 24.444  7.2024  360.517    203.605  384.849    329.523  345.491    258.948  25.778  9.2642  24.268  8.2466  1.509878       12.40290  
1 1 1 11  70  20 o 16.949  6.9742  81.802     206.148  0.0000     0.0000   81.802     206.148  ?       ?       16.949  6.9742  0.000000       6.974161  
1 1 1 11  70  21 o 29.503  7.3885  544.029    235.582  0.0000     0.0000   544.029    235.582  ?       ?       29.503  7.3885  0.000000       7.388518  
1 1 1 11  70  22 o 66.403  4.6627  2521.53    333.221  0.0000     0.0000   2521.53    333.221  ?       ?       66.403  4.6627  0.000000       4.662663  
1 1 1 11  70  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  70  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  71  0  o 201.329 4.0141  22064.99   875.322  20377.00   1236.06  23763.04   1239.74  192.890 5.9164  208.462 5.4907  -15.57225      8.071686  
1 1 1 11  71  1  o 119.993 3.1289  7822.41    406.644  7615.34    574.538  8030.27    575.627  118.195 4.4880  121.392 4.3781  -3.196487      6.269703  
1 1 1 11  71  2  o 20.212  5.7199  229.477    130.854  235.723    182.556  222.877    187.661  21.107  6.9191  20.806  7.0205  0.3012199      9.857024  
1 1 1 11  71  3  o 67.011  3.0411  2439.59    220.721  2345.57    314.491  2530.87    309.855  65.438  4.4638  68.024  4.2265  -2.585617      6.147258  
1 1 1 11  71  4  o 74.801  2.5704  3037.25    208.248  2927.02    266.640  3209.62    333.453  73.370  3.3554  76.657  4.0303  -3.287781      5.244216  
1 1 1 11  71  5  o 132.004 3.6659  9484.44    524.121  9018.75    928.407  9702.28    634.985  127.791 6.7314  133.364 4.3960  -5.572685      8.039639  
1 1 1 11  71  6  o 66.204  3.5454  2392.35    253.305  2954.28    521.826  2219.12    289.730  72.917  6.6816  63.647  4.2269  9.269947       7.906349  
1 1 1 11  71  7  o 11.741  4.9602  6.3513     108.392  -316.2698  413.941  30.101     112.311  18.734  8.6632  12.602  5.1622  6.132538       10.08461  
1 1 1 11  71  8  o 78.626  2.2220  3355.34    189.227  4123.32    287.922  2771.40    251.063  87.075  3.0529  71.367  3.2480  15.70759       4.457520  
1 1 1 11  71  9  o 61.703  2.9940  2070.78    200.094  2405.25    534.028  2016.16    215.816  65.302  7.6983  60.769  3.2912  4.533268       8.372303  
1 1 1 11  71  10 o 44.053  3.5394  1064.60    167.454  2271.67    489.233  904.427    178.218  63.518  7.2407  40.481  4.1222  23.03627       8.331926  
1 1 1 11  71  11 o 63.348  3.0323  2184.79    208.053  2624.76    540.430  2108.23    225.428  68.173  7.4399  62.102  3.3640  6.071590       8.165059  
1 1 1 11  71  12 o 38.433  3.9722  816.351    162.966  773.360    475.824  822.064    173.457  36.145  11.093  38.518  4.2272  -2.373306      11.87098  
1 1 1 11  71  13 o 28.685  5.0926  466.491    152.426  816.608    461.409  423.602    161.493  36.881  10.835  27.183  5.6687  9.698507       12.22873  
1 1 1 11  71  14 o 31.839  4.9886  572.228    166.383  81.231     461.458  645.598    178.382  24.061  10.203  33.852  5.0170  -9.791821      11.37006  
1 1 1 11  71  15 o 69.941  3.1763  2671.54    240.616  2881.25    569.414  2625.96    265.483  70.934  7.5264  69.180  3.5551  1.754288       8.323806  
1 1 1 11  71  16 o 14.860  6.1933  34.105     165.478  -155.6209  442.251  64.992     178.440  20.650  9.3189  16.046  6.5322  4.604628       11.38035  
1 1 1 11  71  17 o 29.944  5.6552  518.259    176.688  499.724    463.048  521.417    191.151  29.915  10.948  29.902  6.1086  0.1331329E-01  12.53686  
1 1 1 11  71  18 o 50.117  2.6742  1378.24    144.637  1738.48    515.437  1347.45    150.691  52.876  9.3418  49.516  2.8214  3.359253       9.758588  
1 1 1 11  71  19 o 16.620  6.8970  66.906     203.964  0.0000     0.0000   66.906     203.964  ?       ?       16.620  6.8970  0.000000       6.897050  
1 1 1 11  71  20 o 44.708  5.5768  1161.47    264.176  0.0000     0.0000   1161.47    264.176  ?       ?       44.708  5.5768  0.000000       5.576766  
1 1 1 11  71  21 o 23.390  7.7662  332.401    229.726  0.0000     0.0000   332.401    229.726  ?       ?       23.390  7.7662  0.000000       7.766218  
1 1 1 11  71  22 f 33.965  7.3602  726.996    262.945  0.0000     0.0000   726.996    262.945  ?       ?       33.965  7.3602  0.000000       7.360217  
1 1 1 11  71  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  72  0  o 233.693 4.3047  29763.14   1089.57  29751.59   1540.25  29774.71   1541.52  232.905 6.1058  232.994 6.1085  -0.8920288E-01 8.636806  
1 1 1 11  72  1  f 167.388 3.4504  15236.50   625.559  15209.74   883.788  15263.36   885.563  166.894 4.8892  167.188 4.8904  -0.2935944     6.915207  
1 1 1 11  72  2  o 64.827  2.9726  2283.04    208.717  2105.73    292.083  2468.04    298.357  61.994  4.3781  67.181  4.1202  -5.187511      6.011992  
1 1 1 11  72  3  f 102.301 2.9573  5685.80    327.680  5622.13    464.677  5748.79    462.152  101.558 4.2244  102.706 4.1545  -1.148582      5.925008  
1 1 1 11  72  4  o 181.756 3.6125  17979.74   711.156  17192.75   1007.47  18761.29   1003.99  177.244 5.2480  185.241 5.0041  -7.996658      7.251332  
1 1 1 11  72  5  o 208.063 4.0386  23598.82   910.105  21676.93   1288.92  25509.82   1285.26  198.630 5.9911  215.719 5.5009  -17.08911      8.133469  
1 1 1 11  72  6  o 137.934 3.5872  10359.65   535.916  10355.65   966.616  10361.43   643.949  137.056 6.5116  137.778 4.3152  -0.7225037     7.811627  
1 1 1 11  72  7  o 156.350 3.6920  13318.57   625.215  14202.25   1116.21  12914.58   754.717  160.480 6.4218  153.727 4.5328  6.753128       7.860383  
1 1 1 11  72  8  o 107.289 2.8414  6257.58    330.183  7141.62    729.264  6029.63    370.313  113.742 5.9402  105.255 3.2483  8.486969       6.770360  
1 1 1 11  72  9  o 44.962  3.4982  1108.16    169.014  1294.51    487.246  1082.67    180.203  46.937  9.8961  44.392  3.7840  2.544685       10.59483  
1 1 1 11  72  10 o 25.132  1.6527  344.045    44.735   701.183    459.739  340.631    44.949   34.807  10.941  25.005  1.6693  9.802359       11.06720  
1 1 1 11  72  11 o 89.664  2.8764  4375.94    279.342  5516.53    651.622  4119.14    309.193  99.641  6.0668  86.927  3.2840  12.71382       6.898614  
1 1 1 11  72  12 o 61.732  3.1165  2082.33    207.702  2849.92    539.659  1948.86    225.036  71.039  7.1093  59.646  3.4987  11.39281       7.923546  
1 1 1 11  72  13 o 61.258  3.2571  2053.72    215.329  1919.01    538.871  2079.31    234.898  57.287  8.9799  61.582  3.5365  -4.295303      9.651252  
1 1 1 11  72  14 o 60.987  3.2954  2037.59    216.872  2526.68    539.893  1943.49    236.818  66.391  7.6479  59.470  3.6949  6.920567       8.493649  
1 1 1 11  72  15 o 52.585  3.5528  1520.73    201.163  1507.71    513.749  1523.09    218.619  49.988  9.8392  52.552  3.8681  -2.564007      10.57227  
1 1 1 11  72  16 o 40.709  4.3196  924.261    187.552  1324.45    481.932  852.833    203.602  46.474  9.8787  38.912  4.9424  7.561741       11.04605  
1 1 1 11  72  17 o 35.401  4.9239  711.670    183.686  793.161    471.813  697.112    199.420  35.223  11.085  34.851  5.4626  0.3727684      12.35810  
1 1 1 11  72  18 o 31.882  1.4931  552.435    51.560   560.113    463.041  552.339    51.883   30.199  10.964  31.879  1.5026  -1.679586      11.06616  
1 1 1 11  72  19 o 16.984  7.0962  64.624     218.019  0.0000     0.0000   64.624     218.019  ?       ?       16.984  7.0962  0.000000       7.096209  
1 1 1 11  72  20 o 13.495  6.2761  -159.9287  221.964  0.0000     0.0000   -159.9287  221.964  ?       ?       13.495  6.2761  0.000000       6.276105  
1 1 1 11  72  21 o 23.280  7.7858  330.501    230.784  0.0000     0.0000   330.501    230.784  ?       ?       23.280  7.7858  0.000000       7.785817  
1 1 1 11  72  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  72  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  73  0  o 122.555 3.1190  8162.83    414.021  8418.55    585.537  7907.14    585.490  124.252 4.3509  120.392 4.4901  3.859993       6.252292  
1 1 1 11  73  1  o 136.357 3.1531  10106.28   465.673  10113.49   656.299  10098.97   660.848  136.158 4.4503  136.052 4.4846  0.1054535      6.317982  
1 1 1 11  73  2  o 179.769 3.6236  17588.63   705.543  17046.87   996.882  18132.35   998.697  176.510 5.2144  182.096 5.0636  -5.586105      7.268462  
1 1 1 11  73  3  o 217.468 4.1096  25781.98   967.983  25817.81   1369.24  25746.19   1368.63  216.894 5.8286  216.591 5.8341  0.3037720      8.246765  
1 1 1 11  73  4  o 62.006  2.0565  2085.73    138.111  2197.72    163.587  1807.81    257.705  63.631  2.3736  57.425  4.1718  6.205704       4.799827  
1 1 1 11  73  5  o 76.604  2.9594  3189.67    245.542  2904.33    354.675  3452.29    340.270  72.782  4.5216  79.581  3.9477  -6.799004      6.002434  
1 1 1 11  73  6  o 85.251  2.9739  3951.23    274.601  3837.25    396.518  4056.27    380.655  83.710  4.3887  86.230  4.0757  -2.520515      5.989317  
1 1 1 11  73  7  o 47.868  4.0767  1259.38    209.347  1424.51    468.625  1218.21    233.993  49.654  9.0469  46.967  4.6614  2.687332       10.17721  
1 1 1 11  73  8  o 60.781  2.1971  2005.49    144.637  2140.12    193.460  1834.86    217.792  62.737  2.8471  57.929  3.4874  4.807835       4.502008  
1 1 1 11  73  9  o 27.391  0.9945  406.514    29.502   437.215    30.344   -123.9724  126.136  28.406  0.9863  9.9907  4.6743  18.41553       4.777219  
1 1 1 11  73  10 o 117.567 2.9496  7523.58    375.597  9517.60    828.147  7007.19    421.433  131.266 5.8248  113.358 3.4325  17.90836       6.760954  
1 1 1 11  73  11 o 151.437 3.3204  12507.20   544.612  13064.53   1225.52  12370.05   607.940  152.658 7.4119  150.467 3.7304  2.192017       8.297681  
1 1 1 11  73  12 o 119.300 2.9757  7755.31    384.498  9004.59    839.002  7423.18    432.600  127.311 6.0845  116.601 3.4254  10.71043       6.982463  
1 1 1 11  73  13 o 130.214 3.1008  9250.18    437.319  10833.16   936.298  8808.48    494.582  139.391 6.2017  126.906 3.5982  12.48540       7.169920  
1 1 1 11  73  14 o 58.870  2.1218  1883.78    135.289  2060.23    170.214  1581.08    222.937  61.514  2.5547  53.570  3.8683  7.943996       4.635758  
1 1 1 11  73  15 o 32.841  1.1703  584.818    41.628   219.146    456.694  587.882    41.802   25.645  10.446  32.926  1.1721  -7.281288      10.51190  
1 1 1 11  73  16 o 20.677  6.7424  237.873    173.437  576.068    460.336  181.925    187.234  31.325  10.980  19.239  6.9737  12.08607       13.00753  
1 1 1 11  73  17 o 43.129  4.3657  1043.87    201.126  773.846    490.466  1098.45    220.520  34.569  11.341  44.138  4.6844  -9.569172      12.27080  
1 1 1 11  73  18 f 18.326  8.5265  -250.8221  410.364  0.0000     0.0000   -250.8221  410.364  ?       ?       18.326  8.5265  0.000000       8.526503  
1 1 1 11  73  19 o 28.870  7.5275  515.990    237.803  0.0000     0.0000   515.990    237.803  ?       ?       28.870  7.5275  0.000000       7.527456  
1 1 1 11  73  20 o 27.847  7.8998  489.072    249.284  0.0000     0.0000   489.072    249.284  ?       ?       27.847  7.8998  0.000000       7.899759  
1 1 1 11  73  21 o 26.288  7.9262  440.178    244.421  0.0000     0.0000   440.178    244.421  ?       ?       26.288  7.9262  0.000000       7.926248  
1 1 1 11  73  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  73  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  74  0  o 68.978  3.0117  2585.82    225.009  2739.35    316.480  2428.90    319.969  70.765  4.1472  66.565  4.4639  4.199844       6.093080  
1 1 1 11  74  1  o 126.811 3.1198  8742.36    428.505  8809.66    604.910  8674.58    607.092  127.058 4.3956  126.069 4.4461  0.9888916      6.252097  
1 1 1 11  74  2  f 73.157  2.5921  2906.26    205.387  2659.46    259.881  3316.88    335.212  69.911  3.4321  77.911  3.9857  -8.000092      5.259764  
1 1 1 11  74  3  o 14.208  5.6666  56.703     131.294  148.887    196.177  -18.0875   176.702  18.891  7.0865  14.366  6.2067  4.525372       9.420272  
1 1 1 11  74  4  o 39.418  3.8352  854.555    161.668  667.499    242.585  1004.02    216.840  34.203  6.7879  42.592  4.7832  -8.388878      8.303874  
1 1 1 11  74  5  o 106.141 2.8927  6123.60    332.553  6071.20    477.478  6172.97    463.438  105.474 4.1796  106.385 4.0220  -0.9105530     5.800480  
1 1 1 11  74  6  o 118.251 3.0514  7605.38    390.813  7339.69    563.602  7851.44    542.395  115.877 4.4906  119.924 4.1758  -4.046829      6.132124  
1 1 1 11  74  7  o 36.373  1.4797  717.256    58.293   742.542    61.102   461.060    194.494  37.008  1.5244  28.339  6.4778  8.668573       6.654760  
1 1 1 11  74  8  o 148.964 3.2336  12083.67   521.721  13481.64   1091.97  11670.16   593.891  156.065 6.4601  146.254 3.7491  9.810760       7.469157  
1 1 1 11  74  9  o 205.263 3.7863  23003.74   841.776  25507.60   1724.75  22220.83   964.443  213.669 7.4527  201.443 4.4203  12.22530       8.664995  
1 1 1 11  74  10 o 114.934 2.9382  7192.13    365.759  8279.92    806.977  6910.89    410.326  122.250 6.0946  112.571 3.3654  9.678802       6.961987  
1 1 1 11  74  11 o 89.104  2.6321  4319.50    254.019  3802.50    656.185  4410.64    275.499  81.980  7.4722  90.007  2.8260  -8.027466      7.988730  
1 1 1 11  74  12 o 72.809  3.0286  2890.23    238.835  2361.30    584.407  2996.28    261.685  63.803  8.6822  74.093  3.2608  -10.29031      9.274364  
1 1 1 11  74  13 o 37.110  4.3446  766.683    171.322  1086.42    484.253  720.937    183.168  42.179  10.610  35.851  4.8409  6.327541       11.66195  
1 1 1 11  74  14 o 83.656  3.0244  3820.16    274.040  3917.67    637.309  3798.04    303.534  82.955  7.1634  83.336  3.3628  -0.3812714     7.913461  
1 1 1 11  74  15 o 37.708  1.5769  771.957    64.404   876.662    479.107  770.030    64.994   37.440  11.053  37.660  1.5934  -0.2201080     11.16745  
1 1 1 11  74  16 o 49.408  1.7982  1327.32    96.226   1440.52    108.366  905.315    209.238  51.454  1.9445  40.011  4.9327  11.44269       5.302105  
1 1 1 11  74  17 o 21.916  6.6343  282.064    170.988  862.756    464.483  191.035    183.902  36.114  10.935  19.239  6.9202  16.87491       12.94072  
1 1 1 11  74  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  74  19 o 20.898  7.6728  231.932    227.708  0.0000     0.0000   231.932    227.708  ?       ?       20.898  7.6728  0.000000       7.672844  
1 1 1 11  74  20 o 20.669  7.7948  221.429    237.984  0.0000     0.0000   221.429    237.984  ?       ?       20.669  7.7948  0.000000       7.794767  
1 1 1 11  74  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  74  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  75  0  o 140.352 3.2486  10713.81   493.832  10694.42   698.706  10733.16   698.062  139.921 4.6104  140.177 4.5978  -0.2564850     6.511176  
1 1 1 11  75  1  f 100.885 2.9433  5531.53    321.608  5390.01    451.118  5677.79    458.618  99.405  4.1900  102.031 4.1500  -2.626205      5.897325  
1 1 1 11  75  2  o 79.816  2.8916  3462.10    249.977  3567.61    352.231  3355.04    354.826  80.891  4.0203  78.311  4.1986  2.580521       5.813028  
1 1 1 11  75  3  o 21.501  5.7957  262.531    138.032  314.547    199.402  214.673    191.266  23.727  7.1603  20.584  7.0854  3.143106       10.07335  
1 1 1 11  75  4  o 63.720  3.1057  2208.26    214.338  2020.67    302.718  2396.86    303.524  60.620  4.6459  66.126  4.2606  -5.506287      6.303722  
1 1 1 11  75  5  o 63.520  3.0256  2194.29    208.156  2023.11    304.799  2343.91    284.955  60.639  4.6769  65.419  4.0414  -4.780003      6.181124  
1 1 1 11  75  6  f 35.260  4.4174  690.073    165.001  804.904    282.115  630.369    203.423  37.484  7.2105  33.375  5.8402  4.109810       9.279012  
1 1 1 11  75  7  o 74.091  3.4944  2991.82    280.416  3357.77    558.918  2868.72    324.168  77.561  6.7197  72.340  4.1548  5.221039       7.900398  
1 1 1 11  75  8  o 64.874  3.0143  2290.75    211.800  2983.91    528.967  2158.41    231.137  73.012  6.7659  62.837  3.4089  10.17502       7.576164  
1 1 1 11  75  9  f 76.504  2.4107  3180.77    199.756  3521.66    304.056  2921.91    264.958  80.345  3.4940  73.207  3.3416  7.137665       4.834714  
1 1 1 11  75  10 o 92.247  2.6733  4629.57    267.092  4658.78    464.383  4615.13    326.502  91.989  4.6763  91.997  3.2768  -0.7308960E-02 5.710057  
1 1 1 11  75  11 o 66.536  3.0339  2413.06    218.642  3160.69    559.836  2278.50    237.504  74.825  6.9888  64.512  3.4112  10.31335       7.776863  
1 1 1 11  75  12 o 66.924  3.1164  2443.36    225.891  3345.66    565.664  2272.17    246.389  76.967  6.8573  64.372  3.5476  12.59483       7.720657  
1 1 1 11  75  13 o 109.976 3.0058  6598.14    358.034  7493.07    785.460  6363.42    402.255  115.621 6.2959  107.880 3.4426  7.741348       7.175655  
1 1 1 11  75  14 o 60.958  3.3674  2039.70    221.464  2059.92    548.418  2035.76    242.080  59.043  8.8483  60.817  3.6925  -1.773743      9.587875  
1 1 1 11  75  15 o 27.456  1.3831  410.136    40.999   530.653    467.692  409.203    41.158   30.572  11.031  27.424  1.3902  3.147997       11.11814  
1 1 1 11  75  16 o 41.876  4.4656  985.690    199.416  579.800    501.655  1061.86    217.325  31.175  11.397  43.397  4.6986  -12.22258      12.32783  
1 1 1 11  75  17 o 16.051  6.6259  63.154     186.830  0.0000     0.0000   63.154     186.830  ?       ?       16.051  6.6259  0.000000       6.625880  
1 1 1 11  75  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  75  19 o 18.398  7.5491  108.882    240.689  0.0000     0.0000   108.882    240.689  ?       ?       18.398  7.5491  0.000000       7.549057  
1 1 1 11  75  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  75  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  75  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  76  0  o 31.843  4.8371  566.827    161.581  470.719    235.382  652.476    222.205  28.620  7.5020  33.909  6.2815  -5.289289      9.784587  
1 1 1 11  76  1  o 24.855  5.5544  352.115    145.761  450.400    212.611  264.952    200.221  28.003  7.0225  22.224  7.2442  5.779083       10.08934  
1 1 1 11  76  2  o 16.372  5.9622  120.999    137.088  -10.6127   191.645  258.906    196.176  15.111  6.4961  21.977  7.1710  -6.865960      9.675872  
1 1 1 11  76  3  f 27.919  1.8213  424.562    54.774   418.145    57.070   499.534    195.068  27.698  1.9141  29.567  6.2848  -1.868969      6.569842  
1 1 1 11  76  4  o 89.187  2.8830  4324.59    278.492  4366.60    398.477  4284.47    389.374  89.438  4.1135  88.602  4.0574  0.8355408      5.777862  
1 1 1 11  76  5  o 52.346  3.3001  1497.71    186.146  1585.85    277.147  1425.27    251.254  53.597  4.8260  50.832  4.6138  2.764828       6.676637  
1 1 1 11  76  6  o 152.245 3.2485  12621.37   535.664  11903.85   759.080  13333.11   756.016  147.394 4.7549  156.096 4.4716  -8.702911      6.527204  
1 1 1 11  76  7  o 122.645 3.3815  8197.47    449.189  8292.58    780.820  8150.42    549.160  122.576 5.8813  122.097 4.1526  0.4785461      7.199608  
1 1 1 11  76  8  o 74.942  2.9443  3057.17    238.989  3309.03    574.009  3004.36    262.855  76.779  6.9787  74.248  3.2686  2.531136       7.706221  
1 1 1 11  76  9  o 61.386  3.0901  2058.05    204.793  2812.92    532.673  1927.11    221.843  70.654  7.0551  59.330  3.4673  11.32410       7.861060  
1 1 1 11  76  10 o 13.024  5.4787  14.343     131.334  -43.5803   454.352  19.624     137.191  22.473  9.8278  13.417  5.6194  9.056314       11.32097  
1 1 1 11  76  11 o 31.052  4.9279  543.804    160.203  696.031    473.117  524.090    170.261  34.417  11.130  30.365  5.3736  4.051958       12.35920  
1 1 1 11  76  12 o 52.323  2.3099  1488.76    130.907  1397.75    163.455  1651.53    218.604  50.540  2.9994  54.811  3.7041  -4.270641      4.766214  
1 1 1 11  76  13 o 41.573  4.0115  957.553    178.388  1532.09    499.863  873.701    190.963  50.587  9.4711  39.567  4.5381  11.02026       10.50220  
1 1 1 11  76  14 o 36.767  1.1760  733.092    46.832   758.141    47.907   194.034    222.241  37.389  1.1830  20.369  7.5618  17.02056       7.653782  
1 1 1 11  76  15 o 9.8866  3.3987  49.041     44.003   815.560    475.376  42.417     44.193   35.748  11.107  9.5001  3.3949  26.24799       11.61428  
1 1 1 11  76  16 o 60.512  3.4815  2025.52    227.222  2305.27    555.044  1969.20    249.048  61.548  8.5577  59.510  3.8852  2.037868       9.398356  
1 1 1 11  76  17 o 37.890  5.3964  828.667    215.203  0.0000     0.0000   828.667    215.203  ?       ?       37.890  5.3964  0.000000       5.396399  
1 1 1 11  76  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  76  19 o 23.178  7.8492  320.091    234.584  0.0000     0.0000   320.091    234.584  ?       ?       23.178  7.8492  0.000000       7.849159  
1 1 1 11  76  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  76  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  76  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  77  0  o 75.281  3.0188  3081.68    246.144  3126.31    350.677  3038.33    345.578  75.545  4.3036  74.471  4.3027  1.073769       6.085597  
1 1 1 11  77  1  o 56.854  2.2312  1754.48    137.392  1754.84    157.098  1753.28    283.335  56.840  2.5518  56.429  4.6780  0.4109802      5.328773  
1 1 1 11  77  2  o 117.949 2.9842  7565.60    381.240  7432.52    538.480  7699.35    539.833  116.654 4.2619  118.745 4.1973  -2.090637      5.981721  
1 1 1 11  77  3  o 95.340  2.9079  4942.67    300.281  5177.00    422.164  4702.72    427.204  97.397  4.0019  92.783  4.2511  4.614288       5.838397  
1 1 1 11  77  4  o 66.623  3.0616  2415.05    220.925  2243.35    318.891  2573.53    306.356  63.854  4.6426  68.518  4.1476  -4.664101      6.225488  
1 1 1 11  77  5  o 68.897  3.0115  2582.81    224.725  2771.39    332.318  2423.91    305.047  71.059  4.3386  66.455  4.2605  4.604515       6.080745  
1 1 1 11  77  6  o 41.212  4.0024  936.430    176.400  940.760    288.724  933.852    222.824  40.656  6.7967  40.921  5.1409  -0.2649651     8.521946  
1 1 1 11  77  7  o 10.253  4.8649  -176.0021  145.556  135.419    414.294  -219.8556  155.467  24.010  9.8842  10.196  4.8896  13.81474       11.02748  
1 1 1 11  77  8  o 17.131  5.8228  150.871    129.100  186.810    428.940  147.291    135.377  25.059  10.155  17.154  5.9577  7.904408       11.77357  
1 1 1 11  77  9  o 50.529  3.4050  1399.52    185.265  1440.49    493.676  1392.80    199.873  49.374  9.5770  50.355  3.6905  -0.9802322     10.26349  
1 1 1 11  77  10 o 115.061 3.0055  7215.89    374.551  7558.74    823.143  7126.37    420.617  116.199 6.5673  114.243 3.3993  1.955833       7.394857  
1 1 1 11  77  11 o 65.172  3.1493  2317.29    222.300  2522.81    556.857  2278.33    242.458  66.312  7.9093  64.477  3.4848  1.835167       8.642960  
1 1 1 11  77  12 o 20.095  1.9629  221.456    42.177   175.357    471.047  221.829    42.347   25.455  10.516  20.111  1.9694  5.343651       10.69837  
1 1 1 11  77  13 o 25.153  5.8969  367.314    157.861  906.069    476.716  300.960    167.300  38.193  10.955  22.813  6.4717  15.37989       12.72358  
1 1 1 11  77  14 o 20.072  6.3970  225.945    156.728  465.164    471.893  196.286    166.160  29.449  11.002  19.240  6.6051  10.20888       12.83223  
1 1 1 11  77  15 o 27.041  6.0889  430.948    174.040  468.909    483.577  425.299    186.540  29.206  11.088  26.757  6.5008  2.448965       12.85303  
1 1 1 11  77  16 o 14.765  6.3553  5.4906     183.878  0.0000     0.0000   5.4906     183.878  ?       ?       14.765  6.3553  0.000000       6.355274  
1 1 1 11  77  17 o 27.498  9.5236  460.702    345.813  0.0000     0.0000   460.702    345.813  ?       ?       27.498  9.5236  0.000000       9.523638  
1 1 1 11  77  18 o 18.945  8.0497  70.813     288.153  0.0000     0.0000   70.813     288.153  ?       ?       18.945  8.0497  0.000000       8.049718  
1 1 1 11  77  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  77  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  77  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  78  0  o 109.393 3.0112  6508.94    356.776  6847.84    503.863  6168.16    505.257  111.985 4.1541  106.231 4.3913  5.754105       6.044852  
1 1 1 11  78  1  o 80.210  2.9251  3498.67    254.121  3569.59    358.349  3426.93    360.422  80.753  4.1107  79.096  4.2224  1.657555       5.892925  
1 1 1 11  78  2  f 91.773  2.9505  4580.84    293.280  4441.76    411.383  4724.58    418.223  90.167  4.2124  93.005  4.1518  -2.837990      5.914518  
1 1 1 11  78  3  o 40.579  3.9352  907.015    170.780  970.595    249.467  850.938    234.285  41.628  5.6813  38.920  5.7291  2.707954       8.068413  
1 1 1 11  78  4  o 92.166  2.9215  4621.14    291.644  4391.18    419.421  4836.42    405.810  89.604  4.3217  94.107  3.9814  -4.502937      5.876081  
1 1 1 11  78  5  o 46.588  3.6545  1191.25    182.923  828.934    278.829  1465.00    242.370  38.045  7.0254  51.556  4.3819  -13.51125      8.279953  
1 1 1 11  78  6  o 18.497  6.2656  177.065    149.479  237.731    240.388  138.820    190.866  22.095  7.9156  18.406  6.9712  3.688559       10.54770  
1 1 1 11  78  7  o 96.496  3.0412  5071.14    317.850  5066.19    488.803  5074.76    418.383  96.076  4.6973  96.331  4.0099  -0.2552109     6.176128  
1 1 1 11  78  8  o 80.830  2.8698  3557.28    251.246  4084.98    597.804  3444.07    276.887  85.449  6.5082  79.479  3.2165  5.969872       7.259626  
1 1 1 11  78  9  o 49.758  3.4464  1358.22    184.595  1436.02    492.200  1345.49    199.130  49.233  9.5750  49.466  3.7444  -0.2329407     10.28108  
1 1 1 11  78  10 o 12.461  5.3965  -14.8551   134.230  -587.8122  463.542  37.586     140.238  17.706  8.4786  13.990  5.7540  3.715430       10.24667  
1 1 1 11  78  11 o 67.886  2.4059  2507.20    176.900  2518.09    248.711  2496.04    251.663  67.883  3.3827  67.487  3.4545  0.3964920      4.834918  
1 1 1 11  78  12 o 28.635  5.3995  469.438    161.321  341.164    482.708  485.566    171.162  27.983  10.957  29.073  5.6390  -1.090685      12.32291  
1 1 1 11  78  13 o 41.651  4.0477  963.852    180.293  1541.46    510.361  881.490    192.719  50.305  9.7186  39.675  4.5681  10.62988       10.73867  
1 1 1 11  78  14 o 43.411  4.1275  1050.95    191.735  811.819    510.031  1090.31    206.913  35.615  11.560  44.143  4.3858  -8.528076      12.36375  
1 1 1 11  78  15 o 17.118  1.8190  161.245    33.209   163.101    33.822   111.471    175.189  17.214  1.8427  16.892  6.6046  0.3219299      6.856841  
1 1 1 11  78  16 o 17.406  6.5849  137.585    170.184  0.0000     0.0000   137.585    170.184  ?       ?       17.406  6.5849  0.000000       6.584925  
1 1 1 11  78  17 o 21.390  8.5038  195.875    294.820  0.0000     0.0000   195.875    294.820  ?       ?       21.390  8.5038  0.000000       8.503758  
1 1 1 11  78  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  78  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  78  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  78  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  79  0  o 51.498  3.5437  1452.13    196.460  1568.11    282.855  1344.04    273.076  53.256  4.9608  49.217  5.2015  4.038776       7.187806  
1 1 1 11  79  1  o 101.499 2.9767  5604.66    327.237  5333.00    461.351  5879.72    464.227  98.762  4.3129  103.741 4.1315  -4.979553      5.972507  
1 1 1 11  79  2  o 57.328  2.2734  1784.70    141.161  1740.48    162.523  1920.51    284.842  56.586  2.6518  59.072  4.4854  -2.486458      5.210658  
1 1 1 11  79  3  o 47.292  3.6392  1227.01    184.978  1173.55    268.455  1275.33    255.241  45.860  5.5153  47.956  4.9870  -2.096169      7.435606  
1 1 1 11  79  4  o 129.829 3.1046  9177.64    436.568  8591.85    621.483  9748.28    613.398  125.220 4.5823  133.492 4.2424  -8.272453      6.244677  
1 1 1 11  79  5  o 56.713  3.2634  1758.35    199.612  1733.75    304.820  1776.82    264.123  55.941  5.0864  56.812  4.3249  -0.8706398     6.676552  
1 1 1 11  79  6  o 86.538  3.0543  4078.66    286.282  4015.38    407.369  4140.40    402.405  85.492  4.4144  86.956  4.2726  -1.464066      6.143478  
1 1 1 11  79  7  o 56.018  3.9688  1725.06    239.243  2318.20    505.863  1554.17    271.529  63.905  7.4482  52.974  4.7841  10.93133       8.852315  
1 1 1 11  79  8  o 18.956  5.9239  198.227    135.003  472.414    438.810  169.561    141.885  29.962  10.699  18.049  6.1044  11.91314       12.31783  
1 1 1 11  79  9  o 28.828  5.0927  471.238    153.196  168.057    449.194  511.143    162.967  25.071  10.303  30.027  5.1992  -4.955523      11.54065  
1 1 1 11  79  10 o 28.194  5.2940  453.165    155.725  131.229    479.572  491.111    164.647  25.117  10.512  29.359  5.3758  -4.242462      11.80683  
1 1 1 11  79  11 o 57.299  3.3390  1800.83    206.324  2680.08    542.572  1652.19    223.083  68.406  7.4432  54.775  3.7834  13.63047       8.349607  
1 1 1 11  79  12 o 77.206  2.4739  3247.18    206.870  3485.30    311.136  3058.51    276.955  79.723  3.6032  74.728  3.4218  4.995026       4.969107  
1 1 1 11  79  13 o 49.876  3.6833  1375.40    197.571  2135.23    534.305  1255.05    212.643  59.917  8.4692  47.492  4.1764  12.42526       9.442963  
1 1 1 11  79  14 o 23.006  1.2592  288.107    31.257   166.394    46.089   391.768    42.534   17.273  2.5393  26.817  1.4700  -9.543562      2.934122  
1 1 1 11  79  15 o 32.624  5.7641  621.156    196.224  0.0000     0.0000   621.156    196.224  ?       ?       32.624  5.7641  0.000000       5.764052  
1 1 1 11  79  16 o 32.523  6.5229  631.103    221.778  0.0000     0.0000   631.103    221.778  ?       ?       32.523  6.5229  0.000000       6.522914  
1 1 1 11  79  17 o 30.613  8.4816  593.584    290.919  0.0000     0.0000   593.584    290.919  ?       ?       30.613  8.4816  0.000000       8.481596  
1 1 1 11  79  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  79  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  79  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  80  0  o 46.037  3.7873  1164.33    187.169  1197.57    271.467  1134.20    258.408  46.333  5.5180  45.103  5.3968  1.229965       7.718414  
1 1 1 11  80  1  o 117.155 2.9969  7469.51    380.285  7053.46    522.497  7938.15    554.540  113.565 4.2479  120.476 4.2497  -6.911118      6.008714  
1 1 1 11  80  2  o 107.965 3.0194  6344.59    353.080  6053.56    500.735  6632.38    497.938  105.162 4.3962  110.133 4.1743  -4.970589      6.062329  
1 1 1 11  80  3  o 110.646 3.0003  6664.00    359.558  6266.63    509.533  7058.14    507.457  106.983 4.3973  113.613 4.1238  -6.630119      6.028467  
1 1 1 11  80  4  o 117.128 3.0234  7469.41    383.547  7245.42    546.148  7687.39    538.763  115.020 4.3840  118.531 4.1966  -3.511612      6.068807  
1 1 1 11  80  5  o 20.245  6.1873  228.287    148.209  185.973    234.612  256.387    191.189  20.685  7.7515  21.737  7.0786  -1.052464      10.49727  
1 1 1 11  80  6  o 52.159  3.5681  1492.18    200.365  1286.37    307.038  1644.83    264.431  47.820  6.0644  54.574  4.5141  -6.754410      7.560043  
1 1 1 11  80  7  o 28.155  6.1488  456.501    182.256  403.768    451.541  466.765    199.204  28.909  10.769  28.398  6.6017  0.5110912      12.63185  
1 1 1 11  80  8  o 54.032  1.7497  1584.45    102.399  1797.64    121.740  1068.81    189.331  57.537  1.9535  44.000  4.0171  13.53767       4.466952  
1 1 1 11  80  9  f 59.982  2.2766  1955.94    147.902  1974.70    195.821  1931.03    225.670  60.183  3.0041  59.338  3.5272  0.8457985      4.633140  
1 1 1 11  80  10 o 55.752  3.3676  1705.06    202.400  2613.09    528.409  1548.93    219.111  67.641  7.3298  53.025  3.8412  14.61591       8.275305  
1 1 1 11  80  11 o 32.527  4.7943  596.767    163.839  1301.28    495.278  510.199    173.614  46.108  10.189  29.822  5.5802  16.28627       11.61690  
1 1 1 11  80  12 o 17.769  6.3206  157.656    153.009  -528.5199  479.043  235.613    161.467  18.271  8.7135  20.471  6.4897  -2.200308      10.86467  
1 1 1 11  80  13 f ?       ?       -143.4831  31.173   -150.5721  31.778   37.239     160.451  ?       ?       14.649  6.1012  0.000000       6.101219  
1 1 1 11  80  14 o 27.942  5.9347  459.651    174.064  709.726    497.459  424.762    185.811  33.229  11.427  26.689  6.4905  6.540413       13.14197  
1 1 1 11  80  15 o 92.569  3.4639  4728.54    347.300  0.0000     0.0000   4728.54    347.300  ?       ?       92.569  3.4639  0.000000       3.463933  
1 1 1 11  80  16 o 33.423  6.8956  673.836    241.337  0.0000     0.0000   673.836    241.337  ?       ?       33.423  6.8956  0.000000       6.895565  
1 1 1 11  80  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  80  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  80  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  80  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  81  0  o 78.779  3.0035  3378.10    256.275  3329.67    361.137  3427.24    363.732  77.890  4.2974  79.034  4.2649  -1.144073      6.054491  
1 1 1 11  81  1  o 67.225  3.0677  2460.56    223.360  2574.63    314.859  2345.00    316.909  68.465  4.2672  65.274  4.5102  3.191231       6.208907  
1 1 1 11  81  2  o 84.763  2.9257  3910.34    268.597  3856.71    382.487  3962.52    377.274  83.850  4.2251  85.124  4.0920  -1.273811      5.881835  
1 1 1 11  81  3  o 70.195  3.0562  2683.41    232.357  2746.57    331.110  2622.13    326.152  70.686  4.3459  69.051  4.3837  1.635033       6.172809  
1 1 1 11  81  4  o 133.660 3.0913  9732.47    447.517  9283.90    637.945  10167.09   627.943  130.103 4.5272  136.251 4.2551  -6.148224      6.212994  
1 1 1 11  81  5  o 87.511  3.0006  4171.58    284.407  4046.94    412.482  4284.53    392.674  85.784  4.4548  88.466  4.0981  -2.682373      6.053062  
1 1 1 11  81  6  o 88.795  2.7977  4292.31    269.064  3984.07    357.602  4694.50    408.481  85.345  3.8686  92.592  4.0731  -7.247444      5.617498  
1 1 1 11  81  7  o 58.693  4.0283  1895.14    254.532  1717.70    526.185  1949.34    290.821  54.080  9.3197  59.404  4.5547  -5.324036      10.37317  
1 1 1 11  81  8  o 67.783  2.9960  2504.55    219.952  3487.34    556.868  2322.89    239.419  78.753  6.5891  65.129  3.4058  13.62357       7.417244  
1 1 1 11  81  9  f 15.386  5.9664  86.777     142.068  56.311     446.048  90.216     149.873  23.371  9.9747  15.753  6.1228  7.617556       11.70393  
1 1 1 11  81  10 o 32.975  4.7944  612.588    166.220  454.712    482.284  633.869    177.069  29.806  11.125  33.490  5.0376  -3.683399      12.21224  
1 1 1 11  81  11 o 46.781  1.9006  1189.59    96.299   1235.89    109.993  1037.61    199.286  47.660  2.1308  43.155  4.3216  4.504677       4.818368  
1 1 1 11  81  12 o 50.495  3.6861  1410.50    200.204  1553.42    538.828  1387.61    215.641  49.776  10.333  49.984  4.0171  -0.2079353     11.08616  
1 1 1 11  81  13 o 53.534  1.9986  1560.77    115.884  642.521    537.504  1605.54    118.675  32.347  11.802  54.294  2.0181  -21.94659      11.97314  
1 1 1 11  81  14 o 56.394  3.8998  1769.54    236.741  0.0000     0.0000   1769.54    236.741  ?       ?       56.394  3.8998  0.000000       3.899791  
1 1 1 11  81  15 o 38.953  8.0880  934.367    330.075  0.0000     0.0000   934.367    330.075  ?       ?       38.953  8.0880  0.000000       8.088048  
1 1 1 11  81  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  81  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  81  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  81  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  82  0  o 55.479  3.4876  1685.53    208.501  1408.22    299.676  1945.73    290.279  50.228  5.6040  59.405  4.5460  -9.176968      7.216061  
1 1 1 11  82  1  o 63.680  3.1439  2209.29    216.845  2000.05    305.357  2422.15    307.989  60.187  4.7221  66.369  4.3078  -6.181885      6.391839  
1 1 1 11  82  2  o 80.220  2.9923  3504.40    259.990  3035.21    367.412  3974.97    367.951  74.244  4.5915  85.255  3.9848  -11.01090      6.079519  
1 1 1 11  82  3  o 57.157  3.3028  1787.31    203.595  1675.43    291.243  1894.25    284.722  54.984  4.9432  58.595  4.5213  -3.610722      6.699079  
1 1 1 11  82  4  o 18.179  6.1663  171.245    144.781  221.931    232.362  139.079    185.105  21.493  7.7721  18.222  6.8738  3.271217       10.37573  
1 1 1 11  82  5  o 51.069  3.5885  1431.35    197.227  1454.46    292.776  1412.15    266.864  51.068  5.3738  50.423  4.9503  0.6451035      7.306359  
1 1 1 11  82  6  o 26.458  5.8865  402.708    164.334  406.423    268.448  400.482    207.824  26.752  8.3523  26.295  7.1214  0.4566917      10.97614  
1 1 1 11  82  7  o 30.004  6.0198  517.094    188.825  840.370    427.863  438.903    210.425  37.347  10.261  27.461  7.0414  9.885830       12.44501  
1 1 1 11  82  8  o 79.493  3.4818  3455.08    299.780  4251.76    600.730  3190.90    345.933  86.980  6.4220  76.115  4.2126  10.86594       7.680342  
1 1 1 11  82  9  o 86.787  2.9507  4109.88    277.364  4662.65    644.834  3984.39    307.238  90.873  6.5965  85.366  3.3229  5.506844       7.386177  
1 1 1 11  82  10 o 31.342  4.7607  555.341    156.527  659.572    474.601  542.620    165.803  33.210  11.165  30.872  5.1394  2.338089       12.29096  
1 1 1 11  82  11 o 19.823  6.3027  220.536    152.210  389.248    487.032  202.273    160.236  28.360  11.033  19.323  6.4874  9.037203       12.79922  
1 1 1 11  82  12 o 16.978  6.3446  131.160    156.960  303.098    485.126  111.057    165.883  26.739  10.812  16.666  6.4515  10.07335       12.59073  
1 1 1 11  82  13 o 13.078  5.7444  -26.9738   156.733  -134.1281  489.209  -14.7170   165.454  21.447  9.7282  13.685  5.9590  7.761668       11.40820  
1 1 1 11  82  14 f 18.534  6.9999  158.932    192.102  0.0000     0.0000   158.932    192.102  ?       ?       18.534  6.9999  0.000000       6.999896  
1 1 1 11  82  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  82  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  82  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  82  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  82  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  83  0  o 106.606 3.0587  6190.87    353.173  6469.08    502.193  5918.63    496.776  108.674 4.2665  103.907 4.4142  4.767754       6.139058  
1 1 1 11  83  1  o 19.114  6.2695  195.596    149.880  171.251    211.762  220.032    212.164  19.762  7.3725  21.045  7.4473  -1.283104      10.47931  
1 1 1 11  83  2  o 12.710  5.4957  -14.0903   138.762  -76.9557   200.131  44.112     192.566  14.221  6.3548  16.191  6.7088  -1.969981      9.240716  
1 1 1 11  83  3  o 38.675  1.9024  811.970    79.693   813.916    84.994   797.813    229.235  38.662  2.0369  37.556  5.8242  1.106319       6.170085  
1 1 1 11  83  4  o 45.182  3.8426  1124.20    186.257  1153.34    275.856  1099.79    252.505  45.315  5.7499  44.337  5.3676  0.9780884      7.865851  
1 1 1 11  83  5  o 31.022  5.2299  544.708    169.472  479.320    259.971  593.031    223.484  28.686  8.0428  32.050  6.6557  -3.364002      10.43961  
1 1 1 11  83  6  o 76.973  2.4883  3223.19    207.452  3388.02    260.430  2937.01    343.159  78.827  3.0503  73.010  4.3594  5.816605       5.320641  
1 1 1 11  83  7  o 90.094  3.0284  4427.70    295.519  4154.12    436.206  4659.78    401.768  86.721  4.6612  92.171  4.0245  -5.450249      6.158171  
1 1 1 11  83  8  o 11.085  5.1841  -146.4294  154.852  442.261    439.136  -230.0257  165.482  29.129  10.661  10.520  5.0449  18.60919       11.79473  
1 1 1 11  83  9  o 22.093  6.2092  282.128    154.755  492.111    462.078  255.600    164.240  30.087  10.948  21.225  6.5177  8.862137       12.74107  
1 1 1 11  83  10 o 40.423  1.5055  887.110    65.915   936.541    70.740   561.398    181.585  41.529  1.5727  31.240  5.5709  10.28888       5.788670  
1 1 1 11  83  11 o 38.316  4.3289  823.593    176.500  894.172    518.642  814.348    187.704  37.084  11.615  37.996  4.6587  -0.9119034     12.51398  
1 1 1 11  83  12 o 20.911  1.3178  238.317    29.695   562.377    488.851  237.117    29.749   30.724  11.248  20.857  1.3238  9.866331       11.32573  
1 1 1 11  83  13 o 21.862  6.6704  279.613    172.359  0.0000     0.0000   279.613    172.359  ?       ?       21.862  6.6704  0.000000       6.670441  
1 1 1 11  83  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  83  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  83  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  83  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  83  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  0  o 56.222  3.3053  1729.71    200.387  1610.53    280.371  1854.16    286.508  53.916  4.8531  57.943  4.6032  -4.026047      6.688970  
1 1 1 11  84  1  o 36.077  4.4581  724.338    170.493  711.713    240.774  737.033    241.455  35.240  6.5492  35.904  6.4459  -0.6639252     9.189210  
1 1 1 11  84  2  o 73.385  2.5473  2928.96    202.468  3001.08    252.437  2798.91    339.000  74.200  3.1411  71.302  4.4113  2.898376       5.415349  
1 1 1 11  84  3  o 32.966  4.7523  609.218    164.782  662.743    246.561  566.013    221.518  33.855  6.9566  31.286  6.7364  2.569471       9.683660  
1 1 1 11  84  4  o 55.644  2.1738  1682.41    131.012  1702.96    148.722  1611.20    276.829  55.957  2.4539  53.906  4.7913  2.051495       5.383155  
1 1 1 11  84  5  o 26.800  5.7372  412.972    161.511  266.110    258.600  506.898    206.806  23.013  8.2136  29.562  6.6233  -6.548813      10.55137  
1 1 1 11  84  6  o 91.001  3.0094  4517.07    296.622  4178.54    428.791  4827.73    410.764  87.007  4.5661  93.809  4.0428  -6.802032      6.098596  
1 1 1 11  84  7  o 77.613  3.1302  3289.73    263.129  3474.43    394.972  3142.34    352.827  79.244  4.6219  75.446  4.3360  3.797729       6.337379  
1 1 1 11  84  8  o 41.241  5.0265  956.299    219.879  1129.03    492.830  913.372    245.687  42.591  10.698  40.039  5.8370  2.551781       12.18657  
1 1 1 11  84  9  o 38.786  4.1754  839.113    172.646  932.207    487.627  825.771    184.603  38.366  11.101  38.376  4.5285  -0.1037598E-01 11.98943  
1 1 1 11  84  10 o 21.985  6.3573  281.594    159.960  403.375    467.222  265.424    170.249  28.190  10.851  21.492  6.6419  6.697941       12.72262  
1 1 1 11  84  11 o 15.306  6.6038  0.2610     199.484  78.197     489.544  -15.2569   218.442  23.836  10.314  15.698  6.8411  8.137455       12.37692  
1 1 1 11  84  12 o 21.085  6.5616  256.969    165.832  395.235    502.389  240.061    175.679  28.130  11.127  20.630  6.7887  7.500164       13.03432  
1 1 1 11  84  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  84  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  85  0  f 67.520  3.2141  2486.32    235.052  2439.19    324.873  2538.09    340.504  66.498  4.5377  67.804  4.6650  -1.305710      6.507886  
1 1 1 11  85  1  o 47.748  2.0680  1238.34    106.949  1234.33    116.795  1259.16    266.135  47.657  2.2627  47.492  5.2623  0.1651230      5.728142  
1 1 1 11  85  2  o 14.410  5.9056  42.800     147.079  48.690     213.227  37.453     203.142  16.979  7.0494  16.402  6.8510  0.5774078      9.830098  
1 1 1 11  85  3  o 39.776  1.9782  859.253    85.223   860.014    91.227   854.036    238.868  39.728  2.1278  38.823  5.8634  0.9051819      6.237579  
1 1 1 11  85  4  o 28.405  5.6281  462.309    167.030  465.831    245.655  459.280    227.788  28.223  7.7839  28.032  7.3954  0.1901188      10.73694  
1 1 1 11  85  5  o 30.519  5.5624  531.995    177.093  445.414    269.415  597.865    234.993  27.685  8.3158  32.026  6.9724  -4.340952      10.85206  
1 1 1 11  85  6  o 35.757  1.4715  693.721    56.987   710.360    58.870   445.970    227.163  36.182  1.5022  27.561  7.4375  8.620691       7.587657  
1 1 1 11  85  7  o 37.789  4.7190  801.432    188.937  1046.79    315.162  663.787    236.058  42.445  7.1068  33.752  6.6937  8.692444       9.762757  
1 1 1 11  85  8  o 33.423  6.0360  645.732    210.467  869.937    486.608  594.137    233.431  37.143  11.180  31.739  6.9803  5.404142       13.18039  
1 1 1 11  85  9  o 36.509  1.6154  724.136    63.880   746.624    68.269   565.928    181.078  37.066  1.7005  31.334  5.5381  5.731428       5.793282  
1 1 1 11  85  10 o 64.313  3.2751  2277.50    227.378  2157.15    570.902  2300.20    247.887  59.420  9.1655  64.537  3.5601  -5.117241      9.832663  
1 1 1 11  85  11 o 41.436  4.3247  963.564    191.232  1905.83    525.717  819.873    205.296  55.772  9.0101  37.913  5.1312  17.85835       10.36882  
1 1 1 11  85  12 o 19.172  6.7702  193.466    175.251  0.0000     0.0000   193.466    175.251  ?       ?       19.172  6.7702  0.000000       6.770240  
1 1 1 11  85  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  85  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  85  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  85  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  85  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  1  o 78.199  3.0712  3335.14    260.124  3068.90    367.733  3601.78    368.009  74.559  4.5758  80.908  4.2141  -6.348755      6.220644  
1 1 1 11  86  2  o 89.517  3.0088  4369.86    291.723  4497.46    418.640  4249.42    406.735  90.497  4.2711  87.966  4.2690  2.530296       6.038731  
1 1 1 11  86  3  o 49.562  3.7671  1352.84    200.706  1311.71    287.733  1391.81    280.102  48.314  5.6026  49.887  5.2633  -1.573833      7.687087  
1 1 1 11  86  4  o 77.759  2.6824  3294.38    225.914  3081.56    286.981  3641.17    366.333  75.040  3.5309  81.300  4.1743  -6.259666      5.467388  
1 1 1 11  86  5  o 37.771  4.7037  799.465    188.260  906.863    282.212  713.352    252.705  39.598  6.8265  34.995  6.9123  4.603489       9.715037  
1 1 1 11  86  6  o 30.877  5.5924  547.185    180.139  153.048    282.870  816.071    233.640  20.882  8.3209  37.769  5.9047  -16.88694      10.20310  
1 1 1 11  86  7  o 66.639  3.4289  2441.75    246.646  2367.47    371.926  2500.06    329.529  64.924  5.3363  67.046  4.5651  -2.121803      7.022560  
1 1 1 11  86  8  o 19.620  6.9081  200.074    182.329  370.839    471.137  169.994    197.736  27.774  10.839  19.112  7.1253  8.661667       12.97115  
1 1 1 11  86  9  o 55.307  3.4939  1689.24    208.217  1914.89    538.157  1649.52    225.802  55.958  9.1991  54.538  3.8473  1.419746       9.971168  
1 1 1 11  86  10 o 40.081  1.2092  871.734    52.493   341.557    486.986  877.967    52.801   27.279  10.902  40.224  1.2120  -12.94488      10.96934  
1 1 1 11  86  11 o 28.226  6.3012  472.047    187.758  0.0000     0.0000   472.047    187.758  ?       ?       28.226  6.3012  0.000000       6.301196  
1 1 1 11  86  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  86  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  1  o 14.577  6.3625  -28.3103   189.611  140.725    303.705  -136.2826  242.728  21.276  8.5718  14.944  6.8071  6.331815       10.94588  
1 1 1 11  87  2  o 84.776  3.0864  3923.77    283.392  4110.83    409.601  3752.00    392.500  86.309  4.3962  82.441  4.4116  3.867882       6.228071  
1 1 1 11  87  3  o 111.988 3.1184  6851.21    378.251  6853.93    540.048  6848.60    529.951  111.501 4.4718  111.494 4.3885  0.6988525E-02  6.265454  
1 1 1 11  87  4  o 89.471  3.0088  4372.68    291.575  4341.56    420.941  4401.38    404.264  88.728  4.3802  89.411  4.1745  -0.6828842     6.050803  
1 1 1 11  87  5  o 37.155  4.8418  777.321    190.217  941.407    286.692  648.283    254.238  40.271  6.8160  33.130  7.2836  7.141277       9.975365  
1 1 1 11  87  6  o 39.601  1.7938  852.324    76.939   866.362    80.939   720.756    247.791  39.920  1.8720  35.083  6.7664  4.836922       7.020531  
1 1 1 11  87  7  o 42.024  2.1442  964.170    97.272   942.299    105.104  1094.73    256.797  41.510  2.3473  43.851  5.5297  -2.340893      6.007344  
1 1 1 11  87  8  o 45.880  1.9296  1145.44    95.886   1173.32    104.131  989.959    245.869  46.419  2.0712  41.597  5.5994  4.821457       5.970223  
1 1 1 11  87  9  o 33.242  1.5349  600.299    55.263   561.863    488.715  600.797    55.619   30.860  11.254  33.255  1.5442  -2.394297      11.35982  
1 1 1 11  87  10 o 19.929  6.6628  220.185    169.010  0.0000     0.0000   220.185    169.010  ?       ?       19.929  6.6628  0.000000       6.662827  
1 1 1 11  87  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  87  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  88  0  o 50.828  8.8926  1534.69    471.724  1534.69    471.724  0.0000     0.0000   50.828  8.8926  ?       ?       0.000000       8.892569  
1 1 1 11  88  1  f 33.959  6.1290  664.230    217.135  689.546    318.266  642.186    296.987  33.884  8.6442  32.770  8.3449  1.113846       12.01498  
1 1 1 11  88  2  o 35.393  6.1004  720.497    225.413  702.998    332.956  735.305    306.276  34.115  8.9128  35.080  8.2069  -0.9644203     12.11574  
1 1 1 11  88  3  o 97.092  3.0972  5154.61    325.708  4900.49    465.946  5397.44    455.474  94.139  4.5698  98.935  4.2505  -4.795738      6.240994  
1 1 1 11  88  4  o 112.945 2.9717  6973.68    363.529  7024.02    505.838  6919.91    522.797  112.856 4.1383  111.929 4.3124  0.9261703      5.976783  
1 1 1 11  88  5  o 19.999  6.7098  217.764    171.409  212.384    292.474  220.578    211.547  22.157  8.5695  20.766  7.4271  1.391329       11.34011  
1 1 1 11  88  6  o 45.521  4.1942  1155.24    204.461  1274.46    312.231  1065.73    270.534  47.038  6.2857  43.087  5.9563  3.951199       8.659565  
1 1 1 11  88  7  o 36.043  5.1112  739.783    193.942  732.422    317.023  744.185    245.173  34.573  8.5209  35.607  6.6002  -1.034592      10.77817  
1 1 1 11  88  8  o 24.560  7.7902  353.115    232.642  321.419    446.889  364.897    272.474  26.497  10.490  25.170  8.4597  1.327055       13.47614  
1 1 1 11  88  9  o 44.909  3.8785  1122.56    186.802  1522.35    524.878  1064.58    199.890  48.961  10.228  43.594  4.2889  5.366520       11.09051  
1 1 1 11  88  10 o 21.736  9.5420  8.4665     431.940  0.0000     0.0000   8.4665     431.940  ?       ?       21.736  9.5420  0.000000       9.541976  
1 1 1 11  88  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  88  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  88  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  88  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  88  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  0  o 33.983  6.1309  667.286    217.359  609.870    427.638  687.286    252.393  31.948  10.595  34.199  7.0482  -2.251051      12.72559  
1 1 1 11  89  1  o 52.180  8.8823  1629.94    484.013  1629.94    484.013  0.0000     0.0000   52.180  8.8823  ?       ?       0.000000       8.882265  
1 1 1 11  89  2  o 28.964  6.8563  495.165    211.753  664.078    323.339  368.317    280.200  33.047  8.8546  25.529  8.5788  7.518681       12.32876  
1 1 1 11  89  3  o 33.407  6.5408  652.647    228.194  620.347    357.269  674.905    296.571  31.859  9.5776  33.420  8.2443  -1.560244      12.63725  
1 1 1 11  89  4  o 56.452  3.9691  1766.16    241.143  1599.33    424.625  1845.58    292.970  52.071  7.7666  57.434  4.7523  -5.363159      9.105212  
1 1 1 11  89  5  o 121.648 3.1653  8112.58    417.057  8346.43    606.712  7903.10    574.241  122.584 4.5696  119.366 4.4416  3.217575       6.372560  
1 1 1 11  89  6  o 86.173  3.2363  4074.54    302.056  3876.21    450.376  4236.67    407.221  83.152  5.0243  87.435  4.3001  -4.283485      6.613199  
1 1 1 11  89  7  o 68.407  2.6108  2556.77    193.438  2451.66    236.991  2766.57    334.819  66.818  3.2747  70.459  4.4096  -3.640747      5.492541  
1 1 1 11  89  8  o 44.466  4.7335  1114.56    224.464  1325.63    449.191  1044.31    259.137  46.224  9.2942  42.630  5.7598  3.594242       10.93426  
1 1 1 11  89  9  o 72.638  7.6112  3120.39    589.915  0.0000     0.0000   3120.39    589.915  ?       ?       72.638  7.6112  0.000000       7.611249  
1 1 1 11  89  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  89  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  0  o 43.423  4.4273  1054.11    205.310  1154.52    292.981  957.219    287.793  44.828  6.2002  40.516  6.7990  4.311821       9.201569  
1 1 1 11  90  1  o 16.617  1.8545  151.975    32.808   151.302    32.915   255.389    408.044  16.578  1.8655  25.050  9.9900  -8.471920      10.16267  
1 1 1 11  90  2  o 44.691  4.1991  1113.19    200.873  1015.90    305.368  1187.40    266.697  41.644  7.0198  45.726  5.4951  -4.081429      8.914802  
1 1 1 11  90  3  o 44.525  5.1790  1121.68    245.094  1269.78    362.791  997.337    332.428  46.417  7.4697  40.887  7.7911  5.529873       10.79339  
1 1 1 11  90  4  o 17.895  7.2488  96.027     218.466  288.627    332.905  -49.6543   289.531  24.321  9.2077  17.536  7.7504  6.785254       12.03544  
1 1 1 11  90  5  o 20.236  7.4247  201.641    213.162  -448.9999  394.272  470.371    253.387  16.501  7.8793  27.954  7.9766  -11.45253      11.21201  
1 1 1 11  90  6  o 16.659  6.5993  97.265     176.971  278.073    309.261  9.2313     215.795  23.673  8.8942  16.069  6.9001  7.604429       11.25688  
1 1 1 11  90  7  o 33.227  6.2592  646.960    216.994  980.617    503.435  570.827    240.480  38.657  11.307  30.808  7.3158  7.848379       13.46738  
1 1 1 11  90  8  o 21.211  9.4062  -36.8495   429.946  0.0000     0.0000   -36.8495   429.946  ?       ?       21.211  9.4062  0.000000       9.406179  
1 1 1 11  90  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  90  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  0  o 21.881  6.7834  274.927    177.423  389.262    264.734  181.697    239.055  25.837  8.3224  20.335  7.7777  5.501854       11.39102  
1 1 1 11  91  1  o 22.833  8.6334  247.489    292.437  305.148    414.517  190.355    412.627  25.919  10.152  24.073  9.8817  1.846426       14.16749  
1 1 1 11  91  2  o 32.420  1.6759  572.652    58.648   567.214    59.219   850.234    423.090  32.262  1.7007  36.706  10.249  -4.443794      10.38950  
1 1 1 11  91  3  o 22.429  6.6214  293.113    171.934  307.899    271.646  283.230    222.078  23.835  8.4277  22.571  7.6371  1.263805       11.37327  
1 1 1 11  91  4  o 53.565  4.7993  1610.46    275.487  2082.00    426.680  1273.37    360.760  60.036  6.6747  46.449  7.4207  13.58736       9.980926  
1 1 1 11  91  5  o 58.733  4.6124  1930.50    291.054  2276.48    460.611  1700.54    375.525  62.615  6.9067  54.233  6.5238  8.381546       9.500715  
1 1 1 11  91  6  f 43.222  7.5438  1113.43    340.307  0.0000     0.0000   1113.43    340.307  ?       ?       43.222  7.5438  0.000000       7.543823  
1 1 1 11  91  7  o 21.722  9.3811  51.734     403.353  0.0000     0.0000   51.734     403.353  ?       ?       21.722  9.3811  0.000000       9.381104  
1 1 1 11  91  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  91  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  0  o 18.678  6.6541  176.989    169.647  299.132    242.479  59.876     237.435  23.253  7.9793  17.733  7.4070  5.519783       10.88729  
1 1 1 11  92  1  o 31.188  5.7314  563.290    186.469  486.990    281.855  622.679    248.666  28.427  8.4982  32.296  7.2825  -3.869141      11.19169  
1 1 1 11  92  2  o 19.164  8.0951  59.101     288.654  57.993     416.341  60.126     400.553  22.235  9.5669  21.917  9.4058  0.3176003      13.41622  
1 1 1 11  92  3  o 45.319  4.2021  1146.37    203.915  1201.71    294.658  1095.50    282.485  45.686  6.1077  43.568  6.1579  2.117645       8.673181  
1 1 1 11  92  4  o 35.703  1.7265  693.011    66.763   706.009    69.478   536.344    241.210  36.032  1.7803  29.838  7.4784  6.193947       7.687425  
1 1 1 11  92  5  o 16.443  7.9128  -526.9140  415.149  -526.9140  415.149  0.0000     0.0000   16.443  7.9128  ?       ?       0.000000       7.912766  
1 1 1 11  92  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  92  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  0  o 27.048  6.4204  432.410    185.274  681.948    275.126  225.348    250.619  33.637  7.7157  21.528  8.0226  12.10918       11.13079  
1 1 1 11  93  1  f 39.858  4.8381  897.968    204.583  1047.32    297.825  764.532    281.513  42.332  6.7203  35.724  7.5138  6.607948       10.08063  
1 1 1 11  93  2  o 63.970  3.1407  2244.87    217.611  2184.74    239.418  2530.58    521.883  62.909  3.5280  65.664  7.4710  -2.754841      8.262141  
1 1 1 11  93  3  o 81.312  3.7638  3648.09    331.478  3412.77    400.044  4163.60    592.101  78.087  4.7526  85.138  6.4694  -7.051033      8.027425  
1 1 1 11  93  4  o 67.159  5.2582  2548.03    379.430  2043.71    559.514  2977.42    516.279  57.676  9.2707  71.718  6.7249  -14.04187      11.45298  
1 1 1 11  93  5  o 36.757  11.312  888.033    494.442  0.0000     0.0000   888.033    494.442  ?       ?       36.757  11.312  0.000000       11.31231  
1 1 1 11  93  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  93  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  0  o 17.393  6.7004  125.075    178.247  313.135    265.586  -29.0665   240.445  23.816  8.3406  16.238  7.1240  7.577238       10.96891  
1 1 1 11  94  1  o 24.026  6.7766  341.598    183.988  593.151    279.123  148.318    244.665  31.164  8.1696  19.647  7.7670  11.51680       11.27249  
1 1 1 11  94  2  o 44.205  5.2745  1111.69    247.552  1069.68    472.079  1127.62    290.732  40.699  10.603  44.108  6.2613  -3.409355      12.31376  
1 1 1 11  94  3  o 16.580  7.6357  -186.3278  316.827  -329.0417  419.926  2.2696     482.733  18.093  8.4853  22.811  10.048  -4.717760      13.15188  
1 1 1 11  94  4  o 19.612  8.7098  -50.6764   369.970  0.0000     0.0000   -50.6764   369.970  ?       ?       19.612  8.7098  0.000000       8.709846  
1 1 1 11  94  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  94  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  0  o 38.884  4.7143  855.206    194.487  1078.24    277.059  638.537    273.077  43.160  6.0966  32.377  7.8650  10.78294       9.951217  
1 1 1 11  95  1  o 23.500  8.7612  282.091    298.957  249.202    429.646  312.961    416.251  25.002  10.152  25.806  10.153  -0.8037777     14.35831  
1 1 1 11  95  2  o 86.831  6.9123  4381.46    644.703  0.0000     0.0000   4381.46    644.703  ?       ?       86.831  6.9123  0.000000       6.912324  
1 1 1 11  95  3  o 66.863  7.6124  2648.11    541.458  0.0000     0.0000   2648.11    541.458  ?       ?       66.863  7.6124  0.000000       7.612436  
1 1 1 11  95  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  95  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  0  o 26.318  10.301  338.438    426.479  0.0000     0.0000   338.438    426.479  ?       ?       26.318  10.301  0.000000       10.30070  
1 1 1 11  96  1  o 46.264  9.8086  1355.35    476.243  0.0000     0.0000   1355.35    476.243  ?       ?       46.264  9.8086  0.000000       9.808574  
1 1 1 11  96  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  96  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  97  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  98  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  99  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  99  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  99  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  99  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 11  99  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  0   0  o 39.412  3.9788  866.772    165.876  866.772    165.876  866.772    165.876  39.412  3.9788  39.412  3.9788  0.000000       0.000000  
1 1 1 12  0   1  o 163.093 4.7543  14444.88   838.218  14444.88   838.218  14444.88   838.218  163.093 4.7543  163.093 4.7543  0.000000       0.000000  
1 1 1 12  0   2  o 161.783 4.7745  14214.66   834.982  14214.66   834.982  14214.66   834.982  161.783 4.7745  161.783 4.7745  0.000000       0.000000  
1 1 1 12  0   3  o 454.518 10.844  112210.20  5331.59  112210.20  5331.59  112210.20  5331.59  454.518 10.844  454.518 10.844  0.000000       0.000000  
1 1 1 12  0   4  o 144.274 4.4527  11307.11   694.296  11307.11   694.296  11307.11   694.296  144.274 4.4527  144.274 4.4527  0.000000       0.000000  
1 1 1 12  0   5  o 57.930  3.6692  1839.47    228.106  1839.47    228.106  1839.47    228.106  57.930  3.6692  57.930  3.6692  0.000000       0.000000  
1 1 1 12  0   6  o 456.898 10.881  113440.50  5377.53  113440.50  5377.53  113440.50  5377.53  456.898 10.881  456.898 10.881  0.000000       0.000000  
1 1 1 12  0   7  o 218.161 5.8103  25843.90   1370.73  25843.90   1370.73  25843.90   1370.73  218.161 5.8103  218.161 5.8103  0.000000       0.000000  
1 1 1 12  0   8  o 478.170 11.445  124346.10  5919.68  124346.10  5919.68  124346.10  5919.68  478.170 11.445  478.170 11.445  0.000000       0.000000  
1 1 1 12  0   9  o 108.241 3.9589  6372.56    462.721  6372.56    462.721  6372.56    462.721  108.241 3.9589  108.241 3.9589  0.000000       0.000000  
1 1 1 12  0   10 o 216.375 6.0367  25437.77   1412.24  25437.77   1412.24  25437.77   1412.24  216.375 6.0367  216.375 6.0367  0.000000       0.000000  
1 1 1 12  0   11 o 420.849 14.406  96837.95   6549.29  96837.95   6549.29  96837.95   6549.29  420.849 14.406  420.849 14.406  0.000000       0.000000  
1 1 1 12  0   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  0   13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  0   14 o 132.472 4.5529  9545.41    651.510  9545.41    651.510  9545.41    651.510  132.472 4.5529  132.472 4.5529  0.000000       0.000000  
1 1 1 12  0   15 o 98.133  4.3028  5249.62    455.339  5249.62    455.339  5249.62    455.339  98.133  4.3028  98.133  4.3028  0.000000       0.000000  
1 1 1 12  0   16 o 230.352 6.9938  28886.11   1741.27  28886.11   1741.27  28886.11   1741.27  230.352 6.9938  230.352 6.9938  0.000000       0.000000  
1 1 1 12  0   17 o 67.962  4.8823  2543.29    355.121  2543.29    355.121  2543.29    355.121  67.962  4.8823  67.962  4.8823  0.000000       0.000000  
1 1 1 12  0   18 o 34.232  9.2112  760.139    295.146  760.139    295.146  760.139    295.146  34.232  9.2112  34.232  9.2112  0.000000       0.000000  
1 1 1 12  0   19 o 183.803 5.3257  18386.11   1058.22  18386.11   1058.22  18386.11   1058.22  183.803 5.3257  183.803 5.3257  0.000000       0.000000  
1 1 1 12  0   20 o 122.184 4.5245  8136.81    596.903  8136.81    596.903  8136.81    596.903  122.184 4.5245  122.184 4.5245  0.000000       0.000000  
1 1 1 12  0   21 o 182.773 5.3553  18218.07   1058.09  18218.07   1058.09  18218.07   1058.09  182.773 5.3553  182.773 5.3553  0.000000       0.000000  
1 1 1 12  0   22 o 10.016  6.8861  -171.6236  244.053  -171.6236  244.053  -171.6236  244.053  10.016  6.8861  10.016  6.8861  0.000000       0.000000  
1 1 1 12  0   23 o 160.099 4.8489  14008.00   839.062  14008.00   839.062  14008.00   839.062  160.099 4.8489  160.099 4.8489  0.000000       0.000000  
1 1 1 12  0   24 o 73.677  4.6287  2995.10    366.030  2995.10    366.030  2995.10    366.030  73.677  4.6287  73.677  4.6287  0.000000       0.000000  
1 1 1 12  0   25 o 57.924  5.3072  1882.64    326.536  1882.64    326.536  1882.64    326.536  57.924  5.3072  57.924  5.3072  0.000000       0.000000  
1 1 1 12  0   26 o 53.433  5.5240  1617.83    311.867  1617.83    311.867  1617.83    311.867  53.433  5.5240  53.433  5.5240  0.000000       0.000000  
1 1 1 12  0   27 o 13.775  9.0178  -18.1185   333.807  -18.1185   333.807  -18.1185   333.807  13.775  9.0178  13.775  9.0178  0.000000       0.000000  
1 1 1 12  0   28 o 36.072  10.838  918.441    369.040  918.441    369.040  918.441    369.040  36.072  10.838  36.072  10.838  0.000000       0.000000  
1 1 1 12  0   29 o 58.796  6.7114  2018.08    413.002  2018.08    413.002  2018.08    413.002  58.796  6.7114  58.796  6.7114  0.000000       0.000000  
1 1 1 12  0   30 o 17.016  10.402  213.907    364.656  213.907    364.656  213.907    364.656  17.016  10.402  17.016  10.402  0.000000       0.000000  
1 1 1 12  0   31 o 29.329  11.807  752.028    365.436  752.028    365.436  752.028    365.436  29.329  11.807  29.329  11.807  0.000000       0.000000  
1 1 1 12  0   32 o 15.591  9.8703  165.341    358.650  165.341    358.650  165.341    358.650  15.591  9.8703  15.591  9.8703  0.000000       0.000000  
1 1 1 12  0   33 o 17.719  10.681  317.402    373.216  317.402    373.216  317.402    373.216  17.719  10.681  17.719  10.681  0.000000       0.000000  
1 1 1 12  1   0  o 506.244 8.4261  138982.80  4620.14  137367.30  6533.70  140598.41  6534.03  502.937 11.994  508.834 11.856  -5.896881      16.86493  
1 1 1 12  1   1  o 395.799 6.7238  84913.99   2882.44  83876.24   4076.35  85951.78   4076.42  393.192 9.5719  398.036 9.4555  -4.843872      13.45467  
1 1 1 12  1   2  o 278.383 4.9473  41989.65   1491.71  42042.36   2108.95  41936.88   2110.23  278.487 6.9918  278.137 7.0049  0.3500977      9.897172  
1 1 1 12  1   3  o 692.476 11.398  260415.59  8548.39  253437.09  12089.06 267394.50  12089.43 682.122 16.363  700.758 15.928  -18.63696      22.83534  
1 1 1 12  1   4  o 440.100 7.4274  105027.50  3540.45  105783.80  5006.98  104271.30  5006.92  441.401 10.473  438.226 10.549  3.175079       14.86477  
1 1 1 12  1   5  o 200.375 3.8415  21751.79   833.710  22077.89   1179.01  21425.66   1179.07  201.834 5.3933  198.828 5.4751  3.005981       7.685349  
1 1 1 12  1   6  o 368.675 6.3257  73694.98   2525.92  73900.55   3572.16  73489.38   3572.20  368.973 8.9385  367.942 8.9637  1.030365       12.65880  
1 1 1 12  1   7  o 66.548  2.5390  2398.88    183.009  2180.83    258.526  2617.91    259.104  63.330  3.7863  69.514  3.4414  -6.183613      5.116564  
1 1 1 12  1   8  o 163.805 3.8808  14539.28   688.524  15556.73   1194.60  14033.15   842.548  169.351 6.5128  160.903 4.8346  8.447906       8.111079  
1 1 1 12  1   9  o 228.133 4.1333  28206.37   1021.31  27452.32   1443.40  28962.41   1445.31  224.972 5.9236  231.086 5.7746  -6.113800      8.272535  
1 1 1 12  1   10 o 120.224 2.8266  7830.75    368.072  9185.87    543.316  6681.28    500.392  130.188 3.8531  111.023 4.1613  19.16508       5.671219  
1 1 1 12  1   11 o 97.221  6.1065  5150.12    639.754  0.0000     0.0000   5150.12    639.754  ?       ?       97.221  6.1065  0.000000       6.106520  
1 1 1 12  1   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  1   13 o 236.045 8.8061  30349.31   2251.37  0.0000     0.0000   30349.31   2251.37  ?       ?       236.045 8.8061  0.000000       8.806062  
1 1 1 12  1   14 o 35.599  7.3250  714.561    273.011  739.498    389.207  690.405    383.058  36.198  9.7214  35.056  9.7396  1.141914       13.76107  
1 1 1 12  1   15 o 305.053 5.3565  50527.43   1769.81  49982.21   2502.32  51073.15   2503.46  302.996 7.6249  306.302 7.5461  -3.305481      10.72767  
1 1 1 12  1   16 o 201.030 3.9449  21920.38   858.958  21904.83   1215.15  21935.92   1214.35  200.800 5.5872  200.943 5.5796  -0.1432800     7.896127  
1 1 1 12  1   17 o 15.647  6.5510  20.957     186.348  274.037    261.135  -241.6477  266.003  23.733  8.2727  14.780  6.8726  8.953274       10.75504  
1 1 1 12  1   18 o 46.603  4.4463  1190.00    221.708  1158.70    314.359  1220.98    312.732  45.666  6.5426  46.940  6.3111  -1.273998      9.090387  
1 1 1 12  1   19 o 134.026 3.2734  9745.90    475.188  9842.51    676.821  9651.97    667.316  134.564 4.6438  133.257 4.6235  1.306702       6.553005  
1 1 1 12  1   20 o 131.356 3.2378  9366.57    460.645  9434.52    656.511  9300.67    646.505  131.671 4.6034  130.739 4.5656  0.9322357      6.483523  
1 1 1 12  1   21 o 132.063 3.2457  9475.98    464.259  9410.12    656.297  9541.95    656.826  131.384 4.6120  132.306 4.5835  -0.9224854     6.502243  
1 1 1 12  1   22 o 107.958 3.0846  6337.37    360.678  6658.18    507.551  6010.10    512.638  110.458 4.2424  104.892 4.5123  5.565842       6.193450  
1 1 1 12  1   23 o 64.082  3.4767  2245.10    240.410  2609.83    336.497  1864.82    343.595  68.889  4.5352  57.944  5.5424  10.94461       7.161453  
1 1 1 12  1   24 o 26.625  6.4998  410.000    185.806  224.202    261.985  598.040    263.561  22.148  8.2126  31.990  7.6996  -9.841961      11.25745  
1 1 1 12  1   25 o 23.982  7.0536  330.691    195.435  179.384    262.701  518.222    292.462  21.061  8.1283  29.664  8.6014  -8.603365      11.83444  
1 1 1 12  1   26 o 49.405  4.0044  1351.60    212.438  1569.64    294.312  1114.42    306.952  52.885  5.2057  43.965  6.6541  8.919228       8.448386  
1 1 1 12  1   27 o 19.809  7.4637  180.303    218.082  302.892    282.108  -1.7491    343.786  23.853  8.5719  19.718  8.5878  4.134552       12.13376  
1 1 1 12  1   28 o 62.922  4.2928  2212.68    290.808  2450.15    415.045  1983.68    407.587  65.335  5.9297  58.372  6.5605  6.963196       8.843157  
1 1 1 12  1   29 o 28.092  8.0124  494.094    255.727  278.004    359.522  715.383    363.822  23.856  9.4202  33.003  9.6005  -9.146849      13.45022  
1 1 1 12  1   30 o 30.733  7.7815  615.939    259.279  706.366    361.517  520.159    372.063  31.625  9.6629  27.530  9.8493  4.095045       13.79789  
1 1 1 12  1   31 o 25.403  7.7861  435.988    234.512  608.113    364.335  314.226    306.432  28.482  9.7804  22.497  8.7519  5.985456       13.12446  
1 1 1 12  1   32 o 13.462  6.2817  -124.6865  225.346  -59.1352   356.038  -168.4961  291.065  17.428  8.0503  14.854  6.9971  2.573387       10.66618  
1 1 1 12  1   33 o 20.613  8.0876  284.230    263.421  270.500    372.552  297.958    372.516  21.060  9.0554  21.446  9.1334  -0.3860168     12.86150  
1 1 1 12  2   0  o 265.921 4.7713  38312.33   1374.22  38612.70   1943.49  38011.99   1943.40  266.903 6.7229  264.817 6.7756  2.086151       9.544963  
1 1 1 12  2   1  o 202.825 3.8718  22285.10   850.567  21534.73   1202.19  23037.21   1203.58  199.350 5.5678  206.191 5.3893  -6.841110      7.748923  
1 1 1 12  2   2  o 916.703 30.523  463814.00  30305.79 463814.00  30305.79 0.0000     0.0000   916.703 30.523  ?       ?       0.000000       30.52299  
1 1 1 12  2   3  o 793.572 15.047  342718.81  12933.12 329896.91  22399.94 349130.59  15840.08 774.533 26.702  800.032 18.280  -25.49866      32.35951  
1 1 1 12  2   4  o 359.566 6.1604  70078.44   2399.15  67951.69   3392.47  72206.29   3393.35  353.901 8.8504  364.831 8.5875  -10.93063      12.33188  
1 1 1 12  2   5  o 286.773 5.0620  44566.32   1572.27  44323.51   2223.47  44809.14   2223.58  285.894 7.1805  287.458 7.1418  -1.564026      10.12745  
1 1 1 12  2   6  o 639.224 10.589  222014.30  7331.18  218608.80  10367.60 225420.09  10368.11 633.220 15.117  643.075 14.886  -9.854553      21.21540  
1 1 1 12  2   7  o 109.695 2.7863  6518.22    331.049  7046.03    468.517  5991.96    467.832  114.037 3.7932  105.158 4.1075  8.879608       5.591067  
1 1 1 12  2   8  o 411.581 6.7384  91898.26   3003.86  91802.64   4248.06  91993.88   4248.15  411.007 9.5427  411.437 9.5329  -0.4293518     13.48850  
1 1 1 12  2   9  o 366.470 6.2024  72856.47   2461.87  77191.72   3482.16  68523.95   3481.07  376.926 8.5295  355.061 9.0519  21.86533       12.43739  
1 1 1 12  2   10 o 333.066 11.606  60500.51   4186.93  0.0000     0.0000   60500.51   4186.93  ?       ?       333.066 11.606  0.000000       11.60632  
1 1 1 12  2   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  2   12 f 322.096 11.340  56664.88   3956.23  56664.88   3956.23  0.0000     0.0000   322.096 11.340  ?       ?       0.000000       11.34034  
1 1 1 12  2   13 o 23.920  9.2835  194.757    344.159  0.0000     0.0000   194.757    344.159  ?       ?       23.920  9.2835  0.000000       9.283519  
1 1 1 12  2   14 o 190.914 5.3739  19785.94   1111.22  19930.15   1568.99  19640.79   1574.02  191.383 7.5691  189.980 7.6495  1.403961       10.76132  
1 1 1 12  2   15 o 132.289 3.6903  9489.16    528.753  9801.94    651.296  8884.44    905.600  134.412 4.4737  127.665 6.5716  6.747375       7.949846  
1 1 1 12  2   16 o 256.586 4.6876  35733.32   1302.72  35598.29   1844.11  35867.84   1840.56  255.811 6.6557  256.784 6.6177  -0.9732513     9.385813  
1 1 1 12  2   17 o 134.597 3.2521  9823.19    474.099  9672.00    668.582  9976.09    672.387  133.472 4.6248  135.557 4.5796  -2.085281      6.508576  
1 1 1 12  2   18 o 183.124 3.7495  18195.63   743.689  18805.06   1056.39  17596.83   1047.14  185.994 5.2439  179.902 5.3740  6.091263       7.508568  
1 1 1 12  2   19 o 88.359  3.1637  4235.37    302.772  4605.76    471.730  3975.89    394.828  91.920  4.7544  85.550  4.2611  6.370857       6.384484  
1 1 1 12  2   20 o 137.648 3.3051  10286.50   492.749  10542.12   705.836  10043.50   688.203  139.173 4.6825  135.843 4.6775  3.330460       6.618486  
1 1 1 12  2   21 o 90.519  3.1511  4451.12    308.942  4452.18    436.954  4450.06    436.866  90.390  4.4632  90.368  4.4634  0.2159882E-01  6.312037  
1 1 1 12  2   22 o 86.757  3.1837  4093.83    299.167  4203.70    410.869  3969.85    436.461  87.754  4.3228  85.079  4.7555  2.675262       6.426606  
1 1 1 12  2   23 o 146.579 3.3102  11705.43   525.524  10962.69   739.494  12463.27   746.969  141.376 4.8293  150.841 4.5721  -9.464539      6.650291  
1 1 1 12  2   24 o 51.150  4.0608  1441.20    223.121  1346.89    305.172  1549.52    327.044  48.984  5.8689  52.592  5.8399  -3.608723      8.279433  
1 1 1 12  2   25 o 54.150  3.7597  1613.85    219.139  1365.01    305.263  1878.44    314.774  49.203  5.8423  58.081  5.0541  -8.878418      7.725041  
1 1 1 12  2   26 o 35.583  5.1701  717.513    193.422  573.524    265.026  881.612    282.930  31.005  7.8764  38.894  6.9724  -7.888746      10.51912  
1 1 1 12  2   27 o 55.052  4.2990  1688.49    254.306  1307.67    339.559  2174.93    383.770  47.394  6.8106  61.856  5.7958  -14.46253      8.942883  
1 1 1 12  2   28 o 39.599  6.3100  917.827    261.552  1157.07    368.934  676.083    370.855  43.597  8.1115  32.596  9.7488  11.00148       12.68212  
1 1 1 12  2   29 o 15.751  7.0229  -50.9947   242.951  166.610    341.616  -273.6865  345.587  21.671  8.9539  16.284  7.6562  5.387249       11.78092  
1 1 1 12  2   30 o 26.032  8.1369  444.716    254.699  523.261    355.342  361.724    365.261  27.606  9.6487  24.485  9.5468  3.121143       13.57342  
1 1 1 12  2   31 o 22.285  8.1599  318.317    257.280  355.874    360.951  279.530    366.819  23.614  9.4026  22.407  9.2699  1.207077       13.20378  
1 1 1 12  2   32 o 23.844  8.2513  402.000    259.559  372.593    369.898  430.524    364.310  23.286  9.4324  24.261  9.5135  -0.9741364     13.39691  
1 1 1 12  2   33 o 20.569  8.0669  282.561    261.960  498.036    374.176  75.424     366.866  24.614  9.6444  18.571  8.4241  6.042326       12.80541  
1 1 1 12  3   0  o 401.201 6.7945  87248.22   2952.52  86684.11   4175.27  87812.45   4175.72  399.719 9.6441  402.316 9.5828  -2.597748      13.59551  
1 1 1 12  3   1  o 334.820 5.7982  60751.15   2102.68  59861.62   2973.93  61640.34   2973.35  332.245 8.2642  337.152 8.1424  -4.906738      11.60153  
1 1 1 12  3   2  o 419.418 7.1093  95364.75   3229.56  93776.96   4567.34  96952.48   4567.24  415.687 10.144  422.682 9.9763  -6.994232      14.22798  
1 1 1 12  3   3  o 390.746 6.6566  82765.30   2817.21  80816.90   3983.86  84714.24   3984.40  385.924 9.5308  395.138 9.3099  -9.213776      13.32332  
1 1 1 12  3   4  o 546.726 9.1155  162192.00  5397.84  159084.00  7633.56  165300.41  7633.85  540.911 13.030  551.419 12.782  -10.50861      18.25225  
1 1 1 12  3   5  o 492.631 8.2229  131660.20  4387.47  140216.20  6205.11  123105.70  6204.54  507.990 11.278  475.876 12.038  32.11322       16.49534  
1 1 1 12  3   6  o 365.668 6.2884  72497.50   2490.58  71496.77   3522.08  73498.39   3522.34  362.917 8.9603  367.974 8.8378  -5.056885      12.58545  
1 1 1 12  3   7  o 570.675 9.4616  176897.59  5848.24  182183.30  8270.79  171612.09  8270.53  578.318 13.204  561.188 13.607  17.13037       18.96029  
1 1 1 12  3   8  o 540.792 8.9683  158871.80  5253.04  157826.09  7428.75  159917.59  7429.10  538.162 12.745  541.738 12.661  -3.576111      17.96488  
1 1 1 12  3   9  o 191.949 5.1602  19977.05   1072.81  22717.04   1522.27  17273.38   1512.15  204.594 6.8695  178.348 7.8281  26.24619       10.41485  
1 1 1 12  3   10 o 188.686 7.4274  19336.47   1517.92  0.0000     0.0000   19336.47   1517.92  ?       ?       188.686 7.4274  0.000000       7.427439  
1 1 1 12  3   11 o 237.004 8.7763  30558.40   2252.88  30558.40   2252.88  0.0000     0.0000   237.004 8.7763  ?       ?       0.000000       8.776320  
1 1 1 12  3   12 o 377.581 7.4801  77496.14   3059.05  76257.21   3746.47  79974.34   5298.67  374.183 9.2442  382.201 12.800  -8.017517      15.78893  
1 1 1 12  3   13 o 251.647 5.2903  34366.54   1441.92  36659.54   2499.79  33223.22   1765.17  259.409 8.8971  247.282 6.5906  12.12672       11.07223  
1 1 1 12  3   14 f 394.652 9.5612  84988.14   4086.93  83143.28   5778.98  86834.04   5780.61  388.793 13.723  397.459 13.428  -8.666199      19.20009  
1 1 1 12  3   15 o 203.096 5.5858  22401.81   1228.73  22616.48   1739.64  22188.10   1735.74  203.780 7.8818  201.832 7.9401  1.947617       11.18785  
1 1 1 12  3   16 o 124.098 3.1716  8348.54    426.293  8526.70    606.575  8174.67    599.233  125.352 4.4677  122.734 4.5077  2.617104       6.346661  
1 1 1 12  3   17 o 175.670 3.6506  16738.71   694.604  16316.87   977.057  17169.76   987.665  173.302 5.2053  177.781 5.1292  -4.479813      7.307833  
1 1 1 12  3   18 o 195.590 3.8912  20760.68   824.338  20902.66   1168.56  20620.04   1163.04  196.054 5.5031  194.722 5.5145  1.331589       7.790623  
1 1 1 12  3   19 o 69.509  3.5002  2628.70    262.670  2493.29    390.726  2740.35    354.809  67.471  5.3918  70.852  4.6493  -3.381180      7.119495  
1 1 1 12  3   20 o 84.823  3.2990  3906.14    303.083  4368.27    457.841  3545.65    404.369  89.457  4.7422  80.582  4.6529  8.875328       6.643650  
1 1 1 12  3   21 o 142.062 3.2819  10966.37   504.984  11034.84   713.676  10897.71   714.637  142.268 4.6315  141.374 4.6671  0.8940277      6.575144  
1 1 1 12  3   22 o 82.460  3.1542  3698.11    281.715  3773.27    393.411  3619.00    403.595  83.016  4.3910  81.252  4.6050  1.763931       6.362955  
1 1 1 12  3   23 o 14.601  6.2518  -3.4429    176.251  -168.2669  246.169  169.920    252.464  14.755  6.7713  20.790  7.9830  -6.034669      10.46799  
1 1 1 12  3   24 o 10.513  5.0587  -249.9175  169.550  -309.8323  239.110  -189.3258  240.457  12.845  6.1342  14.231  6.5885  -1.385903      9.002053  
1 1 1 12  3   25 o 18.725  6.7431  169.379    174.659  288.116    239.544  34.605     255.209  23.206  7.9313  18.022  7.6122  5.184528       10.99325  
1 1 1 12  3   26 o 34.845  5.7111  695.057    208.074  815.152    294.697  575.671    293.827  37.143  7.5820  30.965  8.5018  6.177841       11.39153  
1 1 1 12  3   27 o 63.904  3.8843  2260.91    267.577  2235.93    365.276  2289.84    393.072  62.910  5.4136  63.488  5.7795  -0.5782700     7.918935  
1 1 1 12  3   28 o 27.073  7.9886  446.012    250.323  360.663    350.749  534.609    357.364  25.696  9.5076  29.411  9.6826  -3.715115      13.57006  
1 1 1 12  3   29 o 31.452  7.5474  613.361    253.829  319.817    353.198  926.902    365.030  24.520  9.4357  37.939  9.0161  -13.41979      13.05080  
1 1 1 12  3   30 o 44.923  5.7609  1205.74    273.850  1476.87    382.430  920.403    392.324  48.261  7.5647  36.029  9.7958  12.23236       12.37669  
1 1 1 12  3   31 o 16.148  7.1771  2.1958     251.668  -120.8921  348.264  136.722    364.086  16.999  7.8909  20.304  8.8406  -3.304951      11.84999  
1 1 1 12  3   32 o 39.470  6.6121  1005.87    272.668  970.859    384.656  1041.23    386.572  35.271  9.7454  36.823  9.5956  -1.552059      13.67659  
1 1 1 12  3   33 o 17.108  7.4450  96.656     257.931  44.126     364.560  149.307    364.980  18.192  8.3081  19.407  8.6333  -1.214354      11.98159  
1 1 1 12  4   0  o 316.121 5.5088  54150.96   1886.18  52700.72   2667.31  55601.55   2667.62  311.761 7.8992  320.237 7.6910  -8.475494      11.02490  
1 1 1 12  4   1  f 352.887 6.0536  67488.41   2313.78  68058.24   3272.35  66918.70   3272.01  354.245 8.5288  351.263 8.6003  2.982452       12.11216  
1 1 1 12  4   2  o 54.711  2.5409  1621.27    150.570  1668.18    215.781  1576.74    210.205  55.375  3.6176  53.829  3.6265  1.546177       5.122370  
1 1 1 12  4   3  o 244.422 4.4392  32367.45   1175.21  31976.19   1662.30  32758.42   1661.70  242.887 6.3188  245.842 6.2406  -2.955536      8.880995  
1 1 1 12  4   4  o 611.446 10.140  202962.30  6715.04  205015.20  9496.53  200909.30  9496.47  613.795 14.285  607.587 14.431  6.207397       20.30503  
1 1 1 12  4   5  f 325.612 5.6581  57465.59   1995.45  55201.87   2821.38  59731.25   2822.60  318.988 8.1662  331.839 7.8533  -12.85068      11.32963  
1 1 1 12  4   6  o 514.301 8.6493  143563.09  4818.02  138667.20  6813.30  148460.09  6814.11  504.852 12.460  522.454 12.042  -17.60226      17.32802  
1 1 1 12  4   7  o 297.144 5.2683  47860.89   1695.55  47703.59   2397.34  48018.33   2398.40  296.515 7.4647  297.493 7.4434  -0.9781799     10.54167  
1 1 1 12  4   8  o 406.985 7.9706  89922.43   3513.51  89805.74   4303.36  90155.73   6084.98  406.469 9.7748  406.511 13.820  -0.4125977E-01 16.92772  
1 1 1 12  4   9  o 148.568 4.5597  11964.67   733.721  11936.10   1050.92  11991.84   1024.85  148.317 6.5420  148.670 6.3645  -0.3536072     9.127139  
1 1 1 12  4   10 o 644.879 21.797  230873.00  15224.39 0.0000     0.0000   230873.00  15224.39 ?       ?       644.879 21.797  0.000000       21.79674  
1 1 1 12  4   11 o 589.656 11.360  189739.91  7255.18  194380.59  8886.06  180460.59  12565.45 595.758 13.771  570.281 20.343  25.47675       24.56600  
1 1 1 12  4   12 o 175.199 4.0850  16641.35   775.164  17249.95   949.889  15428.08   1341.18  178.329 4.9179  168.481 7.3496  9.848083       8.843261  
1 1 1 12  4   13 o 301.188 6.0671  49262.64   1979.18  52505.52   3435.65  47651.93   2421.32  310.155 10.227  295.998 7.5525  14.15643       12.71368  
1 1 1 12  4   14 o 262.116 5.4052  37297.75   1534.52  34473.93   2655.14  38714.00   1880.35  251.310 9.7546  266.900 6.5046  -15.59062      11.72438  
1 1 1 12  4   15 o 309.533 7.7290  52170.68   2591.20  50669.21   3665.41  53670.67   3663.60  304.159 11.126  313.139 10.802  -8.980042      15.50731  
1 1 1 12  4   16 o 304.334 7.6213  50455.30   2512.19  50115.86   3553.72  50794.39   3551.82  302.395 10.850  304.462 10.771  -2.066589      15.28847  
1 1 1 12  4   17 o 296.504 5.2517  47766.58   1686.55  45977.21   2383.01  49562.37   2387.28  290.385 7.5767  301.565 7.3089  -11.18015      10.52743  
1 1 1 12  4   18 o 55.742  3.9157  1694.53    234.908  1914.17    351.540  1517.32    315.753  59.068  5.5603  52.518  5.6392  6.549507       7.919421  
1 1 1 12  4   19 o 199.856 3.9103  21688.37   846.445  23060.72   1202.36  20340.01   1191.81  205.836 5.3932  193.257 5.6938  12.57899       7.842576  
1 1 1 12  4   20 o 136.892 3.3123  10174.12   491.110  10545.33   699.609  9813.49    689.568  139.197 4.6404  134.266 4.7418  4.931625       6.634587  
1 1 1 12  4   21 o 116.708 3.1367  7399.26    396.500  8124.02    564.934  6695.64    556.631  122.130 4.2708  110.818 4.6375  11.31190       6.304472  
1 1 1 12  4   22 o 16.756  6.5976  90.174     175.880  81.258     246.344  99.445     251.190  18.832  7.6718  19.342  7.7945  -0.5099239     10.93671  
1 1 1 12  4   23 o 58.831  3.5967  1894.63    228.084  1711.63    318.863  2086.36    326.386  55.533  5.3682  61.465  4.9445  -5.932117      7.298347  
1 1 1 12  4   24 o 47.893  4.0660  1264.73    208.923  1111.73    287.025  1437.14    304.690  44.362  6.1381  50.680  5.6467  -6.318188      8.340351  
1 1 1 12  4   25 o 31.621  5.7485  572.135    189.624  616.021    254.607  517.470    284.158  32.397  7.4160  29.628  8.4445  2.769089       11.23860  
1 1 1 12  4   26 o 38.855  5.2076  853.625    213.640  1069.74    302.537  638.658    301.730  43.032  6.7100  32.574  8.4722  10.45775       10.80751  
1 1 1 12  4   27 o 36.810  5.7410  779.634    221.421  948.818    303.758  587.814    323.442  40.047  7.2709  30.957  9.0655  9.089819       11.62106  
1 1 1 12  4   28 o 52.487  4.8054  1555.19    270.150  1417.37    383.217  1691.34    380.893  48.715  7.5039  53.780  6.6832  -5.064823      10.04852  
1 1 1 12  4   29 o 17.300  7.1777  78.506     220.846  -148.8565  340.593  243.449    290.096  17.400  7.9776  22.150  8.5437  -4.750490      11.68915  
1 1 1 12  4   30 o 21.790  8.0555  279.014    251.687  281.664    347.794  276.100    364.684  22.891  9.1904  22.989  9.3464  -0.9805489E-01 13.10792  
1 1 1 12  4   31 o 22.100  8.1571  310.487    257.869  175.279    359.136  454.381    370.492  20.761  8.9079  25.401  9.6903  -4.639212      13.16258  
1 1 1 12  4   32 o 15.126  6.9262  -60.8580   255.609  -47.7123   360.397  -74.1636   362.583  17.617  8.1243  17.392  8.0655  0.2250767      11.44797  
1 1 1 12  4   33 o 15.184  6.9525  -37.8439   257.502  74.047     366.168  -147.3172  362.191  18.539  8.4120  16.296  7.7155  2.242699       11.41446  
1 1 1 12  5   0  o 326.530 5.6520  57777.63   1998.94  56390.88   2826.74  59164.75   2827.10  322.480 8.0930  330.327 7.9018  -7.846161      11.31090  
1 1 1 12  5   1  o 299.439 5.2386  48584.36   1699.01  51178.29   2403.22  45992.39   2402.31  307.252 7.2215  291.252 7.6153  15.99976       10.49494  
1 1 1 12  5   2  o 120.485 2.8352  7862.85    369.981  8033.92    522.573  7690.92    523.894  121.779 3.9619  119.150 4.0596  2.628960       5.672460  
1 1 1 12  5   3  o 149.990 3.1963  12186.02   519.250  12145.32   734.411  12226.69   734.249  149.722 4.5288  150.223 4.5127  -0.5009460     6.393311  
1 1 1 12  5   4  o 318.679 5.5118  55038.04   1902.47  55652.98   2690.38  54423.00   2690.61  320.340 7.7541  316.775 7.8420  3.564911       11.02833  
1 1 1 12  5   5  o 140.612 3.0995  10710.12   472.043  10586.85   667.997  10833.07   667.143  139.782 4.4122  141.399 4.3562  -1.617081      6.200277  
1 1 1 12  5   6  o 119.074 2.8905  7680.42    372.785  7711.77    525.470  7648.66    528.943  119.302 4.0666  118.812 4.1103  0.4897995      5.782025  
1 1 1 12  5   7  o 370.103 7.3657  74316.70   2952.60  75087.13   3616.08  72775.57   5114.35  371.850 8.9784  365.547 12.917  6.303253       15.73128  
1 1 1 12  5   8  o 148.835 4.4447  12005.58   716.506  13046.24   1028.73  11025.14   998.529  155.097 6.1239  142.566 6.4666  12.53101       8.906103  
1 1 1 12  5   9  o 128.077 5.9686  8897.97    827.975  0.0000     0.0000   8897.97    827.975  ?       ?       128.077 5.9686  0.000000       5.968641  
1 1 1 12  5   10 o 173.005 7.0403  16251.78   1319.22  0.0000     0.0000   16251.78   1319.22  ?       ?       173.005 7.0403  0.000000       7.040270  
1 1 1 12  5   11 o 128.381 3.4777  8932.11    483.573  9265.02    598.073  8303.52    821.809  130.729 4.2239  123.687 6.1345  7.042107       7.448017  
1 1 1 12  5   12 o 136.859 3.1215  10150.19   462.709  10091.68   649.546  10210.47   659.301  136.420 4.3960  137.219 4.4361  -0.7988892     6.245304  
1 1 1 12  5   13 o 272.767 5.5817  40387.14   1649.02  42331.22   2022.98  36537.36   2846.77  279.111 6.6918  258.740 10.158  20.37158       12.16434  
1 1 1 12  5   14 o 89.044  3.5042  4298.33    337.959  5157.99    622.263  3938.66    402.496  97.271  5.9348  85.101  4.3816  12.16985       7.377007  
1 1 1 12  5   15 o 321.482 7.9465  56294.43   2766.95  60625.50   3914.24  51968.57   3911.89  332.787 10.860  307.837 11.733  24.95065       15.98699  
1 1 1 12  5   16 o 146.966 4.6842  11723.20   745.626  11893.36   1057.49  11554.97   1051.48  147.865 6.6030  145.740 6.6612  2.124481       9.379296  
1 1 1 12  5   17 o 128.884 3.7838  9011.15    528.193  9351.80    647.763  8335.26    912.437  131.247 4.5568  123.530 6.8464  7.716965       8.224183  
1 1 1 12  5   18 f 223.331 4.2515  27079.01   1028.39  27025.09   1457.50  27132.46   1451.26  222.824 6.0391  223.273 6.0012  -0.4492645     8.513843  
1 1 1 12  5   19 o 219.256 4.1485  26112.48   985.180  27518.24   1398.03  24725.74   1388.53  224.771 5.7425  213.001 6.0187  11.76987       8.318757  
1 1 1 12  5   20 o 89.840  3.1717  4381.24    308.622  4626.81    448.212  4159.84    425.583  92.215  4.4876  87.321  4.5153  4.894798       6.365998  
1 1 1 12  5   21 o 119.482 3.1181  7755.07    403.521  8087.62    585.107  7453.44    557.243  121.826 4.4343  116.957 4.3989  4.868141       6.246090  
1 1 1 12  5   22 o 18.942  6.8662  165.364    181.511  -117.3958  263.090  422.208    250.744  16.101  7.2339  27.275  7.9804  -11.17432      10.77108  
1 1 1 12  5   23 o 13.923  6.0666  -27.9314   171.734  168.690    240.716  -231.7491  245.081  20.467  7.8103  13.943  6.5209  6.524618       10.17459  
1 1 1 12  5   24 o 74.647  3.2534  3039.25    263.044  2891.95    357.289  3213.58    388.691  72.426  4.5782  76.319  4.7255  -3.892616      6.579502  
1 1 1 12  5   25 o 79.898  3.2660  3487.68    282.637  3525.23    379.013  3440.64    424.214  79.929  4.3949  78.748  4.9996  1.181602       6.656636  
1 1 1 12  5   26 o 20.439  7.2143  214.742    198.969  181.458    277.829  249.786    285.081  21.311  8.3215  22.900  8.5520  -1.589106      11.93244  
1 1 1 12  5   27 o 70.302  3.6120  2727.02    274.105  3036.84    379.228  2388.09    396.643  73.698  4.7766  64.879  5.7024  8.818748       7.438656  
1 1 1 12  5   28 o 26.790  7.8565  435.902    242.772  367.697    346.050  502.005    340.675  25.780  9.4598  28.627  9.4552  -2.846884      13.37493  
1 1 1 12  5   29 o 26.676  7.9653  442.896    247.724  335.327    346.059  555.950    354.772  24.718  9.3807  29.371  9.6463  -4.653362      13.45544  
1 1 1 12  5   30 o 24.354  8.1421  382.615    252.388  530.406    353.931  229.706    360.007  27.714  9.6327  22.172  9.1788  5.542204       13.30563  
1 1 1 12  5   31 o 26.587  8.1972  487.909    259.487  268.932    361.788  719.900    372.383  22.185  9.1944  30.804  9.8651  -8.618462      13.48541  
1 1 1 12  5   32 o 22.033  8.2064  327.078    262.163  84.520     368.481  575.718    373.071  19.208  8.6003  26.910  9.8301  -7.701874      13.06130  
1 1 1 12  5   33 o 16.817  7.3794  78.206     258.089  174.687    365.821  -17.4066   364.171  19.722  8.7145  17.538  8.1154  2.184093       11.90811  
1 1 1 12  6   0  o 170.712 3.4118  15785.93   630.831  16671.19   892.471  14902.03   891.788  175.415 4.6974  165.843 4.9647  9.572830       6.834759  
1 1 1 12  6   1  o 636.609 12.225  220141.59  8429.29  229486.00  10323.63 201451.59  14600.22 649.547 14.674  606.876 22.212  42.67065       26.62154  
1 1 1 12  6   2  o 584.713 9.6891  185517.50  6136.18  183792.09  8677.88  187242.80  8677.87  581.401 13.781  586.855 13.652  -5.454224      19.39833  
1 1 1 12  6   3  o 60.260  2.5581  1966.81    166.960  1990.48    238.493  1944.06    233.810  60.506  3.6564  59.796  3.6273  0.7102051      5.150329  
1 1 1 12  6   4  o 101.522 2.6952  5582.60    296.363  5560.58    420.132  5604.40    418.116  101.312 3.8287  101.711 3.7954  -0.3986359     5.391112  
1 1 1 12  6   5  o 208.967 3.9799  23658.21   900.787  23613.82   1273.66  23702.63   1274.15  208.726 5.6339  209.118 5.6255  -0.3923950     7.961547  
1 1 1 12  6   6  o 424.525 7.2089  97753.09   3314.67  98930.04   4687.61  96576.10   4687.68  426.743 10.142  421.620 10.265  5.123596       14.43017  
1 1 1 12  6   7  o 212.686 5.7039  24524.74   1313.95  22944.87   1859.20  26101.23   1857.21  205.590 8.3494  219.308 7.8187  -13.71758      11.43871  
1 1 1 12  6   8  o 113.034 3.9334  6923.44    481.554  7738.67    693.503  6164.37    669.187  119.472 5.3593  106.460 5.8256  13.01199       7.915822  
1 1 1 12  6   9  o 382.288 9.2773  79459.20   3841.36  0.0000     0.0000   79459.20   3841.36  ?       ?       382.288 9.2773  0.000000       9.277349  
1 1 1 12  6   10 o 202.025 4.4468  22126.45   973.025  22522.92   1192.74  21337.61   1682.42  203.776 5.4041  198.171 7.8383  5.605255       9.520703  
1 1 1 12  6   11 o 18.635  5.3622  192.442    114.056  504.210    162.151  -112.8564  160.460  30.066  5.1655  12.010  5.4950  18.05657       7.541669  
1 1 1 12  6   12 o 167.890 3.4453  15277.07   626.509  15566.26   886.789  14988.87   885.248  169.406 4.8331  166.230 4.9168  3.176117       6.894473  
1 1 1 12  6   13 o 255.046 5.2588  35300.94   1452.71  37261.74   1781.41  31408.37   2509.95  261.917 6.2796  239.979 9.6565  21.93765       11.51874  
1 1 1 12  6   14 o 346.397 6.9056  65241.14   2590.87  67763.49   4493.38  63984.88   3171.09  351.689 11.796  342.684 8.5437  9.005157       14.56525  
1 1 1 12  6   15 o 166.004 3.4902  14940.54   627.534  14179.08   880.065  15728.17   895.060  161.621 5.0274  170.235 4.8544  -8.613297      6.988564  
1 1 1 12  6   16 o 159.647 4.8593  13836.11   840.234  13698.38   1189.75  13973.15   1186.80  158.653 6.9237  160.246 6.8379  -1.592941      9.731071  
1 1 1 12  6   17 o 141.780 4.6177  10913.94   709.108  11828.83   1022.02  10064.68   984.684  147.430 6.4003  135.962 6.6867  11.46796       9.256134  
1 1 1 12  6   18 o 152.176 3.4276  12561.64   564.937  12720.79   800.806  12403.95   797.091  153.012 4.8321  151.090 4.8708  1.921555       6.861009  
1 1 1 12  6   19 o 61.835  3.8285  2083.92    255.146  1807.02    366.983  2343.00    354.979  57.275  6.0051  65.437  5.0475  -8.161716      7.844652  
1 1 1 12  6   20 o 26.013  6.9588  383.418    199.895  384.610    318.756  382.645    256.627  27.212  9.1499  26.396  8.1541  0.8169575      12.25606  
1 1 1 12  6   21 o 49.952  4.2646  1368.91    228.518  1517.39    353.527  1262.34    299.498  52.220  6.3833  47.658  5.9304  4.562611       8.713034  
1 1 1 12  6   22 o 104.800 2.9416  5970.48    333.897  6157.56    501.831  5821.86    447.268  106.189 4.3632  103.323 3.9967  2.866409       5.917035  
1 1 1 12  6   23 o 42.932  4.5117  1020.16    206.652  1229.77    285.826  790.576    299.129  46.893  5.7479  36.958  7.7216  9.935188       9.626089  
1 1 1 12  6   24 o 44.719  4.3587  1106.90    208.431  1056.27    273.181  1177.45    322.437  43.260  5.9911  45.484  6.7499  -2.223698      9.025175  
1 1 1 12  6   25 f 23.287  6.9112  310.620    186.918  311.382    242.876  309.514    292.734  23.863  7.9872  24.521  8.7403  -0.6580677     11.84007  
1 1 1 12  6   26 o 13.922  1.9529  107.415    28.639   40.134     269.552  108.183    28.802   18.443  7.8084  13.972  1.9569  4.470863       8.049890  
1 1 1 12  6   27 o 24.116  7.3523  340.866    209.456  214.123    286.150  487.155    307.424  21.977  8.4830  28.458  8.9467  -6.481632      12.32902  
1 1 1 12  6   28 o 35.220  6.7654  737.704    248.699  885.035    352.171  591.136    351.258  37.645  8.7957  30.676  9.5503  6.969591       12.98356  
1 1 1 12  6   29 o 66.818  4.1180  2504.40    296.572  3083.65    417.480  1914.29    421.380  73.369  5.2890  56.541  7.0327  16.82773       8.799610  
1 1 1 12  6   30 o 15.028  6.8405  -81.1025   244.610  -135.2863  339.707  -22.7576   352.509  17.008  7.8591  18.558  8.3524  -1.549734      11.46852  
1 1 1 12  6   31 o 44.962  5.8038  1233.80    276.037  1409.21    382.831  1043.84    398.384  45.956  7.9808  37.551  9.7197  8.404610       12.57639  
1 1 1 12  6   32 o 12.704  6.1230  -273.5568  250.884  -110.0004  347.212  -452.2431  362.917  16.716  7.7991  14.359  7.0208  2.357350       10.49373  
1 1 1 12  6   33 o 17.220  7.4876  101.557    260.487  92.702     365.355  110.712    371.491  18.726  8.4585  19.012  8.5638  -0.2857513     12.03681  
1 1 1 12  7   0  o 510.063 9.8876  141168.91  5462.42  140205.80  6690.58  143094.09  9459.76  508.066 12.158  512.542 17.040  -4.476105      20.93325  
1 1 1 12  7   1  o 135.307 3.0559  9916.70    447.843  10634.65   634.114  9202.22    632.581  140.108 4.1786  130.328 4.4814  9.780518       6.127270  
1 1 1 12  7   2  f 483.413 8.1371  126732.90  4260.47  126889.00  6025.25  126576.80  6025.18  483.371 11.509  482.774 11.523  0.5965881      16.28566  
1 1 1 12  7   3  o 535.830 8.9050  155765.70  5168.11  151325.91  7308.52  160206.20  7309.10  527.637 12.789  542.954 12.429  -15.31665      17.83326  
1 1 1 12  7   4  o 176.659 3.5447  16906.17   678.250  17058.63   959.567  16753.96   958.813  177.427 4.9933  175.834 5.0346  1.592514       7.090807  
1 1 1 12  7   5  o 193.894 3.7381  20367.36   785.021  20534.42   1111.21  20200.91   1109.17  194.651 5.2707  193.062 5.3043  1.588135       7.477718  
1 1 1 12  7   6  o 131.682 4.2801  9395.94    610.454  9636.36    861.260  9153.21    865.378  133.321 5.9644  129.932 6.1492  3.389694       8.566615  
1 1 1 12  7   7  o 223.667 5.8611  27124.48   1419.88  28101.56   2013.37  26157.74   2002.69  227.532 8.1698  219.505 8.4236  8.026337       11.73469  
1 1 1 12  7   8  o 174.040 7.0723  16436.52   1333.16  0.0000     0.0000   16436.52   1333.16  ?       ?       174.040 7.0723  0.000000       7.072301  
1 1 1 12  7   9  o 228.489 6.0235  28320.90   1490.69  31718.41   2107.56  24919.59   2108.75  241.646 8.0525  214.099 9.0937  27.54727       12.14652  
1 1 1 12  7   10 o 154.096 3.7651  12869.37   628.400  13395.58   771.646  11833.25   1082.79  157.188 4.5324  147.637 6.7714  9.551193       8.148261  
1 1 1 12  7   11 o 134.827 3.0677  9850.17    447.986  10101.56   634.145  9599.73    632.951  136.500 4.2893  133.063 4.3918  3.437363       6.138894  
1 1 1 12  7   12 o 122.774 2.9387  8167.92    390.779  8657.64    554.681  7685.32    550.632  126.368 4.0526  119.053 4.2702  7.314697       5.887159  
1 1 1 12  7   13 o 256.418 5.3797  35685.35   1494.10  35436.21   1830.53  36182.58   2586.06  255.377 6.6180  257.642 9.2673  -2.264954      11.38769  
1 1 1 12  7   14 o 112.410 3.3882  6849.68    412.518  6630.72    711.576  6960.52    506.274  110.326 5.9772  113.290 4.1260  -2.963646      7.262947  
1 1 1 12  7   15 o 159.213 3.5647  13743.78   614.703  13737.49   833.450  13751.29   910.263  159.098 4.8367  159.145 5.2809  -0.4689026E-01 7.161052  
1 1 1 12  7   16 o 83.377  3.7428  3770.12    337.999  3604.03    550.227  3870.78    428.345  81.170  6.3082  84.316  4.7092  -3.146423      7.872094  
1 1 1 12  7   17 o 127.356 4.4194  8804.39    609.616  9575.67    890.309  8123.58    836.463  132.666 6.1960  122.017 6.3513  10.64944       8.872920  
1 1 1 12  7   18 o 97.676  4.4929  5181.54    475.320  5434.05    693.200  4957.48    653.006  99.672  6.4559  95.194  6.3702  4.477234       9.069600  
1 1 1 12  7   19 o 88.494  3.2582  4248.98    312.287  4516.99    444.408  3987.55    438.924  91.164  4.5008  85.506  4.7582  5.658180       6.549653  
1 1 1 12  7   20 o 200.164 3.9037  21776.45   846.317  21964.02   1199.95  21590.79   1193.82  200.662 5.5211  198.945 5.5403  1.717163       7.821650  
1 1 1 12  7   21 o 301.090 5.3459  49549.22   1743.35  51356.59   2466.12  47743.75   2464.82  305.209 7.4601  294.080 7.7384  11.12903       10.74878  
1 1 1 12  7   22 o 34.006  5.5381  650.416    196.957  887.890    287.492  440.380    270.374  39.520  6.9712  27.887  8.3202  11.63281       10.85467  
1 1 1 12  7   23 o 23.153  2.2109  293.737    54.769   395.844    262.057  289.073    56.006   26.530  8.2472  22.958  2.2826  3.572271       8.557277  
1 1 1 12  7   24 o 55.444  3.8413  1689.32    229.256  1914.49    308.128  1410.10    343.123  58.788  4.8834  49.931  6.4987  8.856911       8.128966  
1 1 1 12  7   25 o 42.312  4.5632  997.151    205.813  1154.98    270.807  781.329    316.673  45.262  5.6469  36.312  8.2406  8.950546       9.989738  
1 1 1 12  7   26 o 64.598  3.6837  2298.51    256.668  2399.18    356.000  2189.52    370.395  65.525  5.0553  62.386  5.5392  3.138489       7.499224  
1 1 1 12  7   27 o 29.281  6.8294  509.410    212.617  395.716    291.404  638.837    310.913  26.134  8.7488  32.263  8.6990  -6.129162      12.33747  
1 1 1 12  7   28 o 53.079  4.8604  1591.95    276.325  1902.19    409.961  1333.65    374.065  57.006  6.7723  47.179  7.5768  9.826965       10.16225  
1 1 1 12  7   29 o 24.252  8.0138  355.244    244.715  570.890    345.832  138.981    346.327  29.691  9.5067  21.290  8.9232  8.401434       13.03844  
1 1 1 12  7   30 o 24.955  8.1269  406.585    252.010  544.092    348.010  254.977    365.418  27.976  9.5598  22.603  9.2912  5.373495       13.33107  
1 1 1 12  7   31 o 19.898  7.9217  210.894    256.168  58.561     357.699  371.284    367.035  19.184  8.5398  23.896  9.4920  -4.711454      12.76817  
1 1 1 12  7   32 o 33.265  7.6982  763.709    271.868  559.817    379.592  978.449    389.559  26.514  9.8748  35.218  9.8352  -8.703930      13.93712  
1 1 1 12  7   33 o 19.867  8.0050  248.273    264.893  -486.0685  372.537  999.235    376.729  14.087  6.9332  34.982  9.6358  -20.89508      11.87095  
1 1 1 12  8   0  o 524.627 8.7184  149282.80  4953.99  147143.80  7006.00  151421.80  7005.99  520.441 12.429  527.976 12.251  -7.534729      17.45195  
1 1 1 12  8   1  o 557.155 9.2900  168410.50  5606.12  161339.50  7928.06  175482.00  7928.43  544.802 13.436  568.264 12.882  -23.46198      18.61316  
1 1 1 12  8   2  f 346.550 5.9975  65089.15   2251.17  63489.32   3183.67  66688.92   3183.60  342.125 8.5916  350.654 8.3824  -8.528259      12.00335  
1 1 1 12  8   3  o 571.320 9.4985  177131.50  5877.63  181261.70  8312.44  173001.80  8312.02  577.371 13.292  564.008 13.607  13.36285       19.02180  
1 1 1 12  8   4  o 224.280 4.1614  27252.71   1010.87  28102.57   1430.55  26405.12   1428.63  227.704 5.8004  220.714 5.9761  6.989731       8.328224  
1 1 1 12  8   5  o 231.076 6.0552  28946.27   1515.48  26735.71   2143.43  31155.94   2143.00  221.945 8.9165  239.629 8.2568  -17.68338      12.15232  
1 1 1 12  8   6  o 221.720 5.8586  26650.97   1406.93  26990.90   1992.63  26313.04   1986.78  223.012 8.2495  220.189 8.3307  2.822830       11.72412  
1 1 1 12  8   7  o 155.960 4.6982  13182.65   793.619  12941.58   1127.82  13419.10   1116.95  154.464 6.7413  157.294 6.5562  -2.830719      9.403648  
1 1 1 12  8   8  o 227.947 4.9063  28166.45   1211.32  30706.05   2096.63  26894.03   1484.07  237.798 8.1404  222.676 6.1533  15.12167       10.20437  
1 1 1 12  8   9  o 179.630 4.1707  17488.58   811.449  17179.30   994.221  18105.64   1404.33  177.996 5.1571  182.629 7.0995  -4.633469      8.774886  
1 1 1 12  8   10 o 168.205 3.4492  15332.03   628.384  15727.71   889.092  14937.10   888.246  170.309 4.8199  165.968 4.9413  4.341110       6.902725  
1 1 1 12  8   11 o 247.790 4.5128  33292.47   1211.16  33912.44   1713.38  32673.27   1712.31  249.937 6.3292  245.317 6.4444  4.619797       9.032724  
1 1 1 12  8   12 o 129.046 2.9970  9024.05    418.899  9332.53    593.735  8718.30    591.098  131.195 4.1783  126.800 4.3040  4.395447       5.998565  
1 1 1 12  8   13 o 269.530 5.5813  39435.49   1629.34  38716.52   1995.13  40875.14   2823.20  266.894 6.9018  273.785 9.5206  -6.890991      11.75909  
1 1 1 12  8   14 f 145.835 3.7031  11530.95   584.921  10881.30   1008.66  11860.11   717.971  141.490 6.5818  147.862 4.4831  -6.371307      7.963592  
1 1 1 12  8   15 o 26.552  5.6683  397.537    158.048  595.862    220.134  186.546    227.055  32.540  6.4738  20.826  7.6595  11.71326       10.02892  
1 1 1 12  8   16 o 78.356  3.3264  3328.77    282.306  3121.51    389.710  3557.62    409.507  75.682  4.7788  80.823  4.6982  -5.141144      6.701485  
1 1 1 12  8   17 o 138.041 4.5394  10345.24   678.701  10995.06   984.211  9756.04    937.173  142.137 6.3931  133.881 6.4629  8.255173       9.090730  
1 1 1 12  8   18 o 168.155 5.0665  15369.27   922.750  15205.38   1315.49  15528.02   1294.69  166.932 7.2758  168.726 7.0846  -1.794693      10.15519  
1 1 1 12  8   19 o 141.082 3.7842  10806.90   578.250  11478.69   722.065  9605.72    965.527  145.314 4.5878  132.472 6.7517  12.84163       8.162910  
1 1 1 12  8   20 o 88.123  3.1406  4215.56    299.762  4517.37    433.854  3939.87    414.653  91.120  4.3960  84.966  4.5220  6.153442       6.306655  
1 1 1 12  8   21 o 63.041  3.5586  2167.95    241.988  1980.93    354.075  2331.87    331.487  59.936  5.5162  65.214  4.7251  -5.277775      7.263284  
1 1 1 12  8   22 o 101.672 3.1453  5622.81    346.359  6095.27    482.365  5119.94    497.642  105.673 4.2145  96.747  4.7491  8.925377       6.349454  
1 1 1 12  8   23 f 77.609  3.2801  3281.61    275.723  3257.97    379.471  3308.05    401.309  76.980  4.5718  77.511  4.8039  -0.5314255     6.631599  
1 1 1 12  8   24 o 94.164  2.8293  4828.26    288.560  4631.42    438.526  4978.57    383.215  91.866  4.4073  95.431  3.7075  -3.564766      5.759311  
1 1 1 12  8   25 o 54.871  2.2744  1637.59    135.167  1634.02    294.561  1638.55    152.130  54.124  5.0844  54.855  2.5605  -0.7317734     5.692734  
1 1 1 12  8   26 o 17.603  7.0018  103.358    199.971  141.303    271.367  58.268     295.816  20.342  8.1353  19.487  8.2113  0.8550472      11.55893  
1 1 1 12  8   27 o 51.734  4.3203  1493.13    239.864  1716.48    329.332  1240.80    350.053  54.964  5.6108  45.900  7.2846  9.064011       9.194923  
1 1 1 12  8   28 o 20.069  7.4567  198.209    216.196  194.164    286.754  203.535    329.095  21.388  8.4233  22.384  8.9564  -0.9963245     12.29513  
1 1 1 12  8   29 o 17.576  7.3555  73.895     234.784  213.431    334.866  -61.0200   329.273  22.289  8.9934  18.094  8.1137  4.194506       12.11253  
1 1 1 12  8   30 o 23.385  8.1263  346.699    251.881  533.296    352.998  153.146    359.518  27.700  9.6205  20.957  8.9501  6.742752       13.13992  
1 1 1 12  8   31 o 37.109  6.9313  884.583    268.344  1249.86    377.850  512.872    381.164  42.710  8.4672  26.461  9.8873  16.24917       13.01739  
1 1 1 12  8   32 f 15.475  7.0269  -32.9844   256.134  132.799    357.749  -207.3382  366.880  19.604  8.6423  16.226  7.7063  3.377293       11.57917  
1 1 1 12  8   33 o 21.327  8.2188  319.460    268.258  693.170    375.737  -69.0801   383.119  28.232  9.9187  17.334  8.1215  10.89827       12.81946  
1 1 1 12  9   0  o 336.468 5.8941  61353.39   2147.98  62708.40   3038.03  59998.95   3037.37  340.047 8.2486  332.610 8.4313  7.437744       11.79518  
1 1 1 12  9   1  o 155.514 3.2257  13100.07   543.326  11973.43   768.219  14227.65   768.539  148.657 4.7712  162.054 4.3786  -13.39670      6.475863  
1 1 1 12  9   2  o 432.729 7.3176  101527.00  3429.67  101008.90  4850.25  102045.10  4850.33  431.368 10.381  433.581 10.328  -2.212128      14.64389  
1 1 1 12  9   3  o 760.770 14.657  315005.59  12077.65 319159.91  14791.74 306695.81  20919.95 764.847 17.856  746.742 25.865  18.10547       31.42998  
1 1 1 12  9   4  o 277.896 7.0105  41874.23   2110.07  40617.60   2984.48  43130.22   2983.72  273.512 10.074  281.866 9.7734  -8.354218      14.03615  
1 1 1 12  9   5  o 237.756 6.1847  30646.11   1592.65  27533.77   2252.34  33758.44   2252.34  225.210 9.2337  249.427 8.3372  -24.21669      12.44068  
1 1 1 12  9   6  o 116.605 4.1031  7367.32    518.203  6909.96    738.865  7810.08    726.980  112.729 6.0739  120.031 5.5919  -7.301857      8.255967  
1 1 1 12  9   7  o 586.845 11.224  187343.20  7134.33  196568.91  12354.88 182727.91  8738.50  598.601 19.056  578.869 13.938  19.73230       23.60901  
1 1 1 12  9   8  o 249.600 6.3827  33795.35   1725.51  35568.50   2441.78  32026.67   2438.70  255.869 8.8108  242.754 9.2752  13.11539       12.79297  
1 1 1 12  9   9  o 198.408 4.4668  21339.05   959.906  21238.60   1176.24  21539.33   1660.90  197.893 5.4878  199.150 7.7000  -1.257339      9.455492  
1 1 1 12  9   10 o 224.026 4.2006  27205.65   1019.25  27588.24   1443.86  26825.62   1439.02  225.489 5.9119  222.346 5.9754  3.143051       8.405752  
1 1 1 12  9   11 o 269.798 4.8940  39478.14   1430.13  39978.71   2023.70  38978.75   2021.33  271.308 6.8867  267.885 6.9666  3.423523       9.795907  
1 1 1 12  9   12 o 186.472 3.6804  18848.38   743.330  18767.59   1051.20  18929.17   1051.26  185.983 5.2184  186.784 5.1964  -0.8003998     7.364393  
1 1 1 12  9   13 o 41.395  2.1487  930.804    96.004   1115.14    225.346  889.927    106.116  45.098  4.6816  40.455  2.4331  4.643124       5.276114  
1 1 1 12  9   14 o 124.240 3.4393  8367.59    462.813  8577.75    568.334  7953.89    797.408  125.761 4.1724  120.846 6.1121  4.914856       7.400462  
1 1 1 12  9   15 o 69.838  3.1637  2643.79    239.311  2745.17    345.010  2549.79    332.227  70.988  4.5106  68.404  4.5094  2.583206       6.378171  
1 1 1 12  9   16 o 308.325 5.4370  51641.13   1815.69  50763.83   2568.27  52517.75   2567.27  305.206 7.7692  310.467 7.6346  -5.261139      10.89255  
1 1 1 12  9   17 o 74.631  3.2635  3020.22    263.797  3217.65    378.397  2833.54    367.954  76.849  4.5666  72.081  4.7395  4.767792       6.581536  
1 1 1 12  9   18 o 69.585  4.5411  2641.14    340.376  2802.49    515.789  2516.68    453.025  71.390  6.7507  67.696  6.2491  3.693947       9.199139  
1 1 1 12  9   19 o 22.728  7.9352  252.102    240.309  249.270    392.749  253.797    303.819  25.879  9.9523  24.077  8.8595  1.801357       13.32435  
1 1 1 12  9   20 o 86.951  3.1923  4104.64    300.638  4804.08    445.600  3520.23    407.309  93.966  4.3783  80.271  4.7054  13.69422       6.427299  
1 1 1 12  9   21 o 156.424 3.4172  13302.40   578.961  13725.81   820.160  12881.85   817.396  158.602 4.7744  153.615 4.9128  4.987320       6.850596  
1 1 1 12  9   22 o 52.545  3.8747  1513.34    218.960  1423.34    304.743  1609.40    314.814  50.602  5.6571  53.886  5.4697  -3.284504      7.868966  
1 1 1 12  9   23 o 84.516  3.1704  3890.32    290.219  3987.96    403.273  3785.42    417.987  85.241  4.3828  82.967  4.6704  2.273926       6.404798  
1 1 1 12  9   24 o 51.197  4.0584  1444.36    223.206  1452.87    303.083  1434.28    329.947  50.964  5.5820  50.459  6.1655  0.5053978      8.316922  
1 1 1 12  9   25 o 50.665  4.2263  1420.38    229.803  1637.27    317.663  1182.25    332.849  54.040  5.5041  45.331  7.0050  8.708832       8.908720  
1 1 1 12  9   26 o 68.883  3.6000  2611.05    267.653  2582.86    369.690  2642.10    388.013  67.989  5.0565  68.684  5.2557  -0.6949005     7.293190  
1 1 1 12  9   27 o 30.542  6.6962  552.270    215.405  451.614    294.446  668.163    315.947  27.517  8.7680  32.966  8.7158  -5.449198      12.36294  
1 1 1 12  9   28 o 27.185  7.3423  447.875    221.277  628.403    291.998  204.365    339.129  31.831  8.3615  22.586  9.0725  9.244951       12.33795  
1 1 1 12  9   29 o 21.789  7.9104  261.621    241.053  249.391    342.629  273.608    339.199  23.025  9.1632  23.410  9.1798  -0.3844452     12.97045  
1 1 1 12  9   30 f 16.668  7.2484  32.437     244.146  -286.3609  342.809  360.573    347.793  15.616  7.4259  24.196  9.3486  -8.579844      11.93901  
1 1 1 12  9   31 o 14.395  6.6809  -124.0662  249.522  -356.8139  347.596  123.384    358.407  14.908  7.1907  20.012  8.7408  -5.104712      11.31841  
1 1 1 12  9   32 o 24.752  8.3222  442.560    263.691  160.432    366.942  743.836    379.190  20.062  8.8012  30.179  9.9757  -10.11738      13.30320  
1 1 1 12  9   33 f 26.619  8.4000  541.890    270.752  529.673    377.474  554.836    388.569  25.067  9.7241  25.431  9.8659  -0.3643684     13.85259  
1 1 1 12  10  0  o 644.692 10.432  225594.20  7284.40  232483.30  10301.98 218705.91  10301.41 653.763 14.549  634.008 15.001  19.75537       20.89768  
1 1 1 12  10  1  o 183.394 3.6629  18219.50   727.575  17621.68   1029.00  18817.19   1028.89  180.333 5.2683  186.353 5.0976  -6.020309      7.330762  
1 1 1 12  10  2  o 768.855 14.823  321699.91  12344.12 340109.09  15118.17 284878.41  21381.25 789.737 17.674  719.274 27.445  70.46295       32.64406  
1 1 1 12  10  3  o 616.892 12.000  206796.91  8017.59  214995.30  9819.33  190398.30  13887.36 628.524 14.424  589.633 21.745  38.89117       26.09441  
1 1 1 12  10  4  o 258.698 6.6157  36284.57   1853.70  36493.78   2620.94  36075.17   2622.12  259.297 9.3323  257.802 9.3907  1.495087       13.23919  
1 1 1 12  10  5  o 192.845 5.3557  20156.65   1118.66  18798.91   1584.63  21505.48   1579.42  186.148 7.8596  199.122 7.3234  -12.97328      10.74265  
1 1 1 12  10  6  o 149.431 4.5552  12100.68   737.259  0.0000     0.0000   12100.68   737.259  ?       ?       149.431 4.5552  0.000000       4.555227  
1 1 1 12  10  7  o 150.567 3.7356  12283.41   609.199  12916.92   1052.19  11963.95   747.174  154.329 6.2947  148.576 4.6431  5.753296       7.821844  
1 1 1 12  10  8  o 296.961 6.0785  47831.26   1955.09  46355.74   2394.95  50778.88   3385.00  292.220 7.5668  305.541 10.229  -13.32092      12.72331  
1 1 1 12  10  9  o 65.736  3.1490  2341.28    224.202  2212.25    276.852  2587.14    382.159  63.762  4.0295  68.880  5.1599  -5.118450      6.546914  
1 1 1 12  10  10 o 203.978 3.8921  22551.26   859.875  23980.24   1218.04  21131.60   1214.06  210.262 5.3485  197.359 5.6795  12.90337       7.801503  
1 1 1 12  10  11 o 388.702 6.6402  82045.53   2795.55  85589.56   3954.30  78504.38   3952.70  396.511 9.2076  379.656 9.6124  16.85516       13.31081  
1 1 1 12  10  12 o 308.880 5.4174  51774.25   1812.38  52137.38   2564.05  51411.66   2562.13  309.646 7.6452  307.476 7.6934  2.170532       10.84612  
1 1 1 12  10  13 o 382.486 6.5007  79486.79   2693.05  78173.37   3808.14  80800.78   3808.96  378.669 9.2850  385.021 9.1338  -6.352356      13.02451  
1 1 1 12  10  14 o 254.730 5.3135  35224.37   1466.00  36186.89   1796.06  33303.06   2537.55  258.044 6.4262  247.039 9.4837  11.00479       11.45590  
1 1 1 12  10  15 o 361.368 7.1455  71057.31   2796.73  69523.86   4843.78  71824.18   3425.39  355.679 12.573  362.892 8.7149  -7.213165      15.29844  
1 1 1 12  10  16 o 316.355 5.5032  54371.60   1885.66  56028.98   2668.40  52718.39   2665.05  320.658 7.6831  310.982 7.9122  9.675629       11.02878  
1 1 1 12  10  17 o 172.516 3.5755  16142.70   668.084  16097.27   945.221  16188.05   944.407  172.137 5.0698  172.624 5.0511  -0.4866791     7.156575  
1 1 1 12  10  18 o 44.586  4.9825  1093.81    236.501  621.008    428.597  1300.80    283.584  33.724  10.558  48.599  5.4834  -14.87470      11.89665  
1 1 1 12  10  19 o 37.171  6.6523  776.741    257.993  623.365    414.338  873.860    329.707  33.593  10.358  39.241  8.0281  -5.648087      13.10513  
1 1 1 12  10  20 o 119.951 4.3534  7828.73    565.590  9214.37    816.992  6553.49    783.772  129.897 5.8070  109.209 6.6580  20.68792       8.834562  
1 1 1 12  10  21 f 114.383 3.0657  7107.88    379.810  7058.35    547.285  7153.89    527.525  113.786 4.4407  114.586 4.2505  -0.7992859     6.147118  
1 1 1 12  10  22 o 57.085  3.6503  1782.58    224.514  1857.35    313.023  1703.36    322.196  58.019  5.0310  55.456  5.4339  2.562817       7.405314  
1 1 1 12  10  23 o 79.877  3.2445  3476.07    280.695  3409.18    401.503  3540.02    392.574  78.704  4.7320  80.257  4.5347  -1.553108      6.554008  
1 1 1 12  10  24 o 92.005  3.1469  4615.97    313.598  4383.43    432.551  4873.62    455.312  89.233  4.4898  94.212  4.4621  -4.978416      6.329980  
1 1 1 12  10  25 o 49.247  4.3173  1343.90    227.960  1430.52    315.548  1249.36    329.684  50.345  5.8986  46.728  6.7063  3.616901       8.931270  
1 1 1 12  10  26 o 17.215  6.9370  87.998     198.953  160.062    268.875  0.7973     295.769  20.650  8.1489  18.567  8.0258  2.083008       11.43761  
1 1 1 12  10  27 o 58.494  4.0931  1901.21    257.682  2076.81    369.944  1735.73    359.131  60.440  5.7192  55.017  6.1311  5.423077       8.384456  
1 1 1 12  10  28 o 73.332  3.6191  2970.28    287.451  2992.05    389.839  2944.35    425.537  72.822  4.9723  71.913  5.5052  0.9085159      7.418269  
1 1 1 12  10  29 o 51.493  4.8722  1514.53    268.502  1607.67    381.131  1422.77    378.322  51.723  6.9817  48.281  7.4763  3.442722       10.22934  
1 1 1 12  10  30 o 15.530  6.9360  -28.6286   238.058  -304.8664  336.748  247.336    336.581  15.286  7.2943  22.039  8.9716  -6.752603      11.56273  
1 1 1 12  10  31 o 36.251  7.3552  862.382    278.916  868.964    404.289  856.405    385.289  33.460  10.218  33.560  9.9133  -0.1001778     14.23633  
1 1 1 12  10  32 o 18.787  7.7742  175.066    258.101  247.200    362.758  101.112    367.304  21.188  9.0179  19.315  8.6217  1.872473       12.47626  
1 1 1 12  10  33 o 16.855  7.4148  78.187     262.051  -199.6366  363.766  377.902    377.826  15.849  7.5680  22.550  9.3748  -6.700535      12.04829  
1 1 1 12  11  0  o 574.732 9.6504  179236.70  6007.34  173576.09  8495.61  184897.50  8495.73  564.989 13.883  583.197 13.450  -18.20734      19.32964  
1 1 1 12  11  1  o 273.545 4.9242  40544.03   1458.93  40924.48   2063.30  40163.63   2063.16  274.754 6.9334  272.186 6.9984  2.568695       9.851382  
1 1 1 12  11  2  o 331.152 6.7269  59448.51   2412.74  63044.45   2954.77  52253.42   4179.60  340.947 8.0014  310.080 12.445  30.86761       14.79520  
1 1 1 12  11  3  o 388.321 9.2878  81833.77   3906.37  88643.97   5525.98  75031.10   5522.92  403.797 12.635  371.370 13.731  32.42667       18.65945  
1 1 1 12  11  4  o 402.182 9.5231  87807.41   4148.29  96304.25   5869.05  79324.90   5864.10  420.772 12.878  381.703 14.184  39.06891       19.15821  
1 1 1 12  11  5  o 287.363 5.8998  44765.93   1836.28  42292.68   3184.48  45997.95   2247.58  279.000 10.538  291.223 7.1256  -12.22260      12.72110  
1 1 1 12  11  6  o 93.372  3.0995  4722.87    313.459  5587.85    536.710  4275.09    386.164  101.539 4.8802  88.826  4.0139  12.71342       6.318815  
1 1 1 12  11  7  o 500.958 11.919  136622.30  6466.90  143024.41  9145.07  130218.80  9146.08  511.332 16.513  487.661 17.316  23.67059       23.92712  
1 1 1 12  11  8  o 297.623 6.0666  48045.77   1955.61  48360.63   2396.12  47417.61   3384.37  298.481 7.4118  295.197 10.585  3.284027       12.92206  
1 1 1 12  11  9  o 308.398 5.4181  51581.59   1809.81  51842.20   2559.96  51321.18   2558.96  308.954 7.6501  307.393 7.6860  1.560608       10.84429  
1 1 1 12  11  10 o 370.388 6.3613  74462.88   2551.94  77568.54   3609.97  71360.61   3608.00  377.638 8.8259  362.143 9.1985  15.49451       12.74787  
1 1 1 12  11  11 o 57.463  2.7648  1789.08    172.078  1943.96    243.475  1634.50    243.235  59.767  3.7806  54.753  4.1320  5.013947       5.600554  
1 1 1 12  11  12 f 216.296 4.0640  25365.52   952.085  26440.98   1347.87  24294.58   1345.03  220.714 5.6383  211.546 5.8703  9.167999       8.139438  
1 1 1 12  11  13 o 36.654  3.7389  735.946    146.355  834.080    207.551  638.892    206.408  38.882  5.0474  33.823  5.8458  5.059361       7.723363  
1 1 1 12  11  14 o 252.125 5.6268  34518.09   1536.55  35469.79   1720.78  30773.78   3413.18  255.501 6.2182  236.212 13.396  19.28920       14.76895  
1 1 1 12  11  15 o 105.244 3.2509  6004.33    370.565  4641.92    651.496  6655.90    450.544  92.165  6.5695  110.789 3.7547  -18.62405      7.566730  
1 1 1 12  11  16 o 346.478 5.9473  65255.84   2231.87  67217.24   3157.84  63298.16   3154.84  351.024 8.3059  340.562 8.5528  10.46158       11.92217  
1 1 1 12  11  17 o 110.099 3.0377  6572.06    362.245  6827.12    533.769  6354.29    493.215  112.146 4.3944  108.203 4.2085  3.942482       6.084576  
1 1 1 12  11  18 o 154.676 3.3543  12978.09   561.942  13809.67   794.480  12145.57   794.934  159.438 4.6007  149.491 4.9096  9.947067       6.728331  
1 1 1 12  11  19 o 15.650  6.8390  -46.9294   219.665  473.129    368.317  -334.0313  273.662  29.896  9.8292  14.070  6.6744  15.82681       11.88111  
1 1 1 12  11  20 o 61.285  5.1238  2061.55    336.992  2886.08    512.000  1431.35    447.618  72.311  6.6104  50.292  8.5217  22.01838       10.78504  
1 1 1 12  11  21 o 32.953  5.7441  611.452    197.564  638.740    284.414  586.007    274.639  33.330  7.9836  31.933  7.9668  1.397110       11.27864  
1 1 1 12  11  22 o 75.585  3.2214  3108.77    263.729  3134.28    369.519  3082.30    376.517  75.586  4.5346  74.927  4.6627  0.6591644      6.504063  
1 1 1 12  11  23 o 33.465  5.4591  631.977    191.050  829.718    264.787  417.246    275.928  38.148  6.6503  27.196  8.4641  10.95195       10.76419  
1 1 1 12  11  24 o 36.520  5.5560  753.578    212.838  737.717    298.935  769.885    303.106  35.471  7.9747  36.259  7.9382  -0.7875061     11.25219  
1 1 1 12  11  25 o 20.848  7.1889  227.481    196.938  268.509    271.896  182.202    285.635  23.217  8.4055  21.624  8.4393  1.593327       11.91110  
1 1 1 12  11  26 o 67.808  3.7433  2534.10    273.852  2859.91    368.992  2134.58    408.600  71.663  4.7813  61.257  6.2458  10.40631       7.865848  
1 1 1 12  11  27 o 20.566  7.3441  219.279    206.770  475.046    281.041  -82.5414   305.296  28.061  8.5079  17.532  7.8407  10.52870       11.56983  
1 1 1 12  11  28 o 28.076  7.2840  477.998    223.398  607.518    299.435  315.401    335.498  31.228  8.5860  24.584  9.2584  6.643866       12.62687  
1 1 1 12  11  29 o 35.048  6.8343  746.105    250.118  988.114    355.913  509.971    351.567  39.341  8.5931  28.223  9.6087  11.11847       12.89070  
1 1 1 12  11  30 o 16.193  7.1049  13.219     239.212  108.241    344.049  -75.7032   332.823  19.973  8.6448  17.409  7.9455  2.564182       11.74158  
1 1 1 12  11  31 o 22.486  7.8073  331.345    232.469  281.344    304.733  400.951    359.547  21.790  8.6510  24.328  9.4756  -2.537745      12.83076  
1 1 1 12  11  32 o 24.896  8.3235  449.119    263.761  523.859    367.900  370.075    378.347  25.811  9.7001  23.138  9.4761  2.673054       13.56058  
1 1 1 12  11  33 o 38.085  8.5710  1085.07    345.015  1889.28    652.129  772.477    406.577  41.687  13.018  29.204  10.312  12.48323       16.60779  
1 1 1 12  12  0  o 282.221 5.0611  43157.75   1547.04  44184.58   2188.33  42131.84   2187.36  285.483 7.0772  278.766 7.2445  6.717560       10.12771  
1 1 1 12  12  1  o 459.684 8.9230  114637.50  4442.64  113939.50  5440.45  116034.50  7696.74  458.076 10.965  461.672 15.392  -3.595642      18.89878  
1 1 1 12  12  2  o 315.360 7.8007  53934.63   2664.48  49291.41   3768.25  58577.32   3768.04  301.226 11.550  328.457 10.592  -27.23099      15.67115  
1 1 1 12  12  3  o 324.391 7.9045  57075.92   2777.24  61144.11   3930.29  53018.80   3924.93  335.525 10.815  312.368 11.601  23.15637       15.86028  
1 1 1 12  12  4  o 424.132 8.3638  97604.25   3842.14  94960.63   6658.37  98923.94   4704.38  417.515 14.724  426.794 10.177  -9.278961      17.89872  
1 1 1 12  12  5  o 265.613 5.5069  38241.53   1584.26  39403.48   2739.59  37657.74   1941.88  269.385 9.3895  263.515 6.8037  5.869690       11.59542  
1 1 1 12  12  6  o 261.063 5.4677  36945.72   1546.04  35496.80   2674.14  37673.18   1894.81  255.622 9.6587  263.558 6.6377  -7.936371      11.71961  
1 1 1 12  12  7  o 346.008 6.8628  64950.94   2571.93  64882.41   3150.91  65087.75   4452.01  345.670 8.4160  345.757 11.888  -0.8666992E-01 14.56561  
1 1 1 12  12  8  o 212.049 4.6845  24374.18   1075.90  24731.96   1319.34  23663.92   1858.91  213.551 5.7041  208.730 8.2225  4.821289       10.00728  
1 1 1 12  12  9  o 213.378 4.0572  24677.49   937.660  24884.34   1326.78  24471.09   1325.32  214.184 5.7193  212.395 5.7611  1.788406       8.117937  
1 1 1 12  12  10 o 154.348 3.3014  12909.49   551.908  12351.13   782.159  13463.18   778.881  150.922 4.7849  157.579 4.5636  -6.657074      6.612218  
1 1 1 12  12  11 o 230.055 4.2513  28694.27   1059.31  29797.89   1499.83  27595.79   1496.34  234.313 5.9098  225.470 6.1273  8.842667       8.512958  
1 1 1 12  12  12 o 89.538  2.7411  4343.94    265.828  4415.69    379.411  4274.77    372.558  90.250  3.8814  88.798  3.8736  1.451607       5.483675  
1 1 1 12  12  13 o 63.438  2.8033  2180.78    192.617  2172.86    268.449  2189.18    276.532  63.181  3.9425  63.411  4.0475  -0.2291985     5.650299  
1 1 1 12  12  14 o 292.720 6.0035  46546.97   1903.39  47767.01   2331.12  44106.62   3296.88  296.319 7.2633  283.985 10.719  12.33466       12.94773  
1 1 1 12  12  15 f 357.555 7.0986  69564.48   2749.07  61916.62   4760.10  73391.88   3367.42  335.421 13.103  366.890 8.4741  -31.46899      15.60406  
1 1 1 12  12  16 o 312.019 5.4759  52892.72   1850.56  54271.68   2618.50  51516.71   2615.69  315.577 7.6608  307.413 7.8558  8.163574       10.97282  
1 1 1 12  12  17 o 114.387 2.9878  7093.73    370.162  7266.17    533.417  6933.54    514.094  115.703 4.2565  113.027 4.1994  2.675995       5.979350  
1 1 1 12  12  18 o 67.743  3.3676  2489.50    247.088  2921.76    351.804  2068.69    347.112  73.208  4.4581  61.455  5.2657  11.75311       6.899442  
1 1 1 12  12  19 o 144.469 3.2927  11326.30   515.234  11432.13   726.314  11219.10   731.011  144.997 4.6248  143.631 4.6990  1.366699       6.593143  
1 1 1 12  12  20 o 136.912 4.6736  10208.65   693.042  10010.17   976.330  10410.22   983.933  135.183 6.6682  137.876 6.5888  -2.693314      9.374251  
1 1 1 12  12  21 o 81.494  4.2811  3629.46    376.556  3240.69    526.977  4035.06    538.262  76.550  6.4150  85.618  5.8393  -9.067078      8.674652  
1 1 1 12  12  22 o 68.892  3.3958  2584.10    253.385  2685.14    363.295  2488.39    353.582  69.873  4.8300  67.239  4.8885  2.633911       6.872190  
1 1 1 12  12  23 o 78.053  3.2027  3318.84    270.749  3316.64    377.980  3321.16    388.012  77.675  4.5122  77.697  4.6318  -0.2218628E-01 6.466360  
1 1 1 12  12  24 o 35.088  5.3972  695.334    198.545  701.204    270.196  688.445    292.724  34.699  7.4143  34.230  8.0336  0.4698067      10.93210  
1 1 1 12  12  25 o 49.466  4.2990  1355.85    228.034  1426.77    316.440  1279.25    328.899  50.258  5.9273  47.321  6.5965  2.936680       8.868295  
1 1 1 12  12  26 o 21.425  7.3114  247.692    203.557  244.451    278.202  251.428    298.629  22.624  8.4483  23.144  8.7307  -0.5195789     12.14902  
1 1 1 12  12  27 o 17.811  7.3670  74.829     231.610  -73.2558   316.614  245.290    339.694  17.978  8.0163  23.538  9.1985  -5.559328      12.20140  
1 1 1 12  12  28 o 31.203  7.0325  586.510    231.983  551.855    337.341  617.603    319.530  29.735  9.3754  31.368  8.9596  -1.633219      12.96816  
1 1 1 12  12  29 o ?       ?       -346.4055  40.835   -65.6677   331.359  -350.7348  41.149   18.031  8.1083  ?       ?       0.000000       8.108274  
1 1 1 12  12  30 o 18.640  7.6055  146.421    242.580  -84.4039   346.169  369.135    340.034  17.599  8.0593  24.195  9.2708  -6.595284      12.28410  
1 1 1 12  12  31 o 21.362  2.7559  257.538    62.278   411.466    361.457  252.829    63.224   24.502  9.5127  21.140  2.8325  3.362488       9.925416  
1 1 1 12  12  32 o 21.290  8.1283  297.820    260.794  453.267    362.123  130.319    375.900  24.513  9.5202  19.771  8.7800  4.742313       12.95078  
1 1 1 12  12  33 o 17.762  7.8175  105.218    291.578  142.163    461.110  80.604     376.379  20.262  9.2871  18.694  8.4999  1.568842       12.58967  
1 1 1 12  13  0  f 384.473 7.6012  80154.10   3165.34  76114.84   3875.63  88246.39   5485.64  374.521 9.5542  402.968 12.569  -28.44690      15.78773  
1 1 1 12  13  1  o 548.214 12.913  163375.20  7667.40  153849.91  10843.07 172901.50  10843.61 530.856 18.858  563.016 17.782  -32.16058      25.91994  
1 1 1 12  13  2  o 344.370 8.4104  64331.70   3136.99  65234.11   4437.48  63430.20   4435.27  346.491 11.824  341.651 11.986  4.839966       16.83663  
1 1 1 12  13  3  o 642.180 21.434  225966.70  14908.15 0.0000     0.0000   225966.70  14908.15 ?       ?       642.180 21.434  0.000000       21.43368  
1 1 1 12  13  4  o 481.388 9.2019  125794.00  4797.82  128736.10  8306.73  124321.10  5877.28  485.869 15.785  478.267 11.346  7.601990       19.43938  
1 1 1 12  13  5  o 233.861 4.8710  29639.75   1233.81  28672.87   2131.15  30127.20   1513.19  229.841 8.5609  235.736 5.9265  -5.894882      10.41209  
1 1 1 12  13  6  o 206.526 5.5469  23123.05   1240.78  23317.99   1754.73  22928.11   1754.73  207.287 7.8157  205.543 7.8820  1.743881       11.10008  
1 1 1 12  13  7  o 122.088 3.4075  8075.65    450.584  8635.97    555.494  6997.85    770.427  126.240 4.0627  113.413 6.2967  12.82713       7.493553  
1 1 1 12  13  8  o 105.959 2.8035  6082.28    321.743  6136.10    458.573  6030.10    451.534  106.408 3.9789  105.485 3.9521  0.9225235      5.608119  
1 1 1 12  13  9  o 212.863 4.0054  24558.33   923.466  25431.62   1307.29  23688.53   1304.67  216.532 5.5742  208.968 5.7643  7.563812       8.018675  
1 1 1 12  13  10 o 71.656  2.6357  2781.75    204.559  2831.20    290.785  2733.30    287.820  72.179  3.7323  70.915  3.7607  1.264175       5.298376  
1 1 1 12  13  11 o 308.655 5.4299  51689.45   1815.26  53988.07   2567.87  49393.38   2566.45  315.172 7.5224  301.413 7.8614  13.75952       10.88062  
1 1 1 12  13  12 o 265.288 4.7625  38175.34   1368.44  39532.41   1936.04  36820.42   1934.50  269.756 6.6263  260.309 6.8613  9.446838       9.538659  
1 1 1 12  13  13 o 27.616  4.4725  424.226    129.201  280.109    178.548  582.638    187.194  22.596  6.7658  32.308  5.5494  -9.711948      8.750574  
1 1 1 12  13  14 o 148.078 3.2360  11885.39   518.995  11339.28   728.454  12448.35   739.614  144.566 4.6523  151.479 4.5080  -6.913605      6.478085  
1 1 1 12  13  15 o 393.219 9.4984  84452.53   4045.35  75863.35   5720.04  93047.44   5721.95  370.726 14.245  411.300 12.844  -40.57336      19.18104  
1 1 1 12  13  16 o 276.381 4.9552  41477.38   1483.34  41124.40   2098.74  41829.70   2096.79  274.829 7.0506  277.190 6.9841  -2.360657      9.924110  
1 1 1 12  13  17 o 102.504 2.8283  5695.76    314.007  6193.86    467.248  5285.53    424.036  106.837 4.0379  98.696  3.9667  8.140663       5.660370  
1 1 1 12  13  18 o 73.034  3.0319  2892.64    239.835  2815.97    350.457  2960.19    328.923  71.857  4.5261  73.722  4.1360  -1.865303      6.131240  
1 1 1 12  13  19 o 57.402  3.6324  1796.09    224.670  1950.57    308.855  1622.47    327.419  59.689  4.8185  54.279  5.6522  5.410053       7.427326  
1 1 1 12  13  20 o 33.181  1.2239  596.464    43.984   86.093     389.918  603.041    44.266   23.048  9.5479  33.363  1.2250  -10.31544      9.626159  
1 1 1 12  13  21 o 98.301  4.2282  5266.44    450.181  5353.11    630.469  5176.28    643.020  98.634  5.9291  96.925  6.1571  1.708786       8.547757  
1 1 1 12  13  22 o 77.141  4.3281  3261.19    360.160  3407.69    502.192  3106.04    516.809  78.455  5.9543  74.740  6.4473  3.714951       8.776233  
1 1 1 12  13  23 o 15.949  6.5687  47.858     183.073  231.379    239.110  -212.1321  284.600  21.909  7.8897  15.611  7.2065  6.297466       10.68556  
1 1 1 12  13  24 o 16.548  6.5809  85.047     176.617  142.971    242.565  19.686     257.667  19.838  7.7673  17.892  7.6074  1.945950       10.87216  
1 1 1 12  13  25 o 42.937  4.8142  1030.41    220.032  1068.31    302.151  987.608    321.053  43.139  6.6829  41.162  7.4767  1.976719       10.02810  
1 1 1 12  13  26 o 68.409  3.6318  2577.09    268.129  2617.08    374.336  2534.97    384.240  68.400  5.0893  67.214  5.3216  1.186531       7.363405  
1 1 1 12  13  27 o 50.741  4.4235  1440.05    240.674  1522.60    333.308  1350.12    347.888  51.477  6.0966  48.066  6.8785  3.410744       9.191422  
1 1 1 12  13  28 o 55.965  4.1650  1750.43    250.657  1435.13    347.368  2092.96    362.054  49.465  6.6523  60.504  5.5880  -11.03846      8.687829  
1 1 1 12  13  29 o 41.663  1.4519  944.108    65.517   468.899    363.010  960.109    66.611   27.313  9.7333  42.013  1.4638  -14.69955      9.842781  
1 1 1 12  13  30 o 18.934  7.6552  161.693    243.152  235.257    347.592  91.199     340.263  21.869  9.0334  19.602  8.5403  2.266466       12.43142  
1 1 1 12  13  31 o 13.802  6.5144  -188.7289  254.564  -132.5596  384.433  -232.5907  339.715  17.595  8.2085  15.695  7.4427  1.900661       11.08028  
1 1 1 12  13  32 o 17.753  7.5933  116.202    259.505  48.134     365.476  185.413    368.535  18.647  8.4381  20.368  8.8806  -1.720697      12.25017  
1 1 1 12  13  33 o 30.349  1.7448  507.797    57.112   85.460     425.845  515.532    57.633   19.358  8.8918  30.579  1.7473  -11.22139      9.061902  
1 1 1 12  14  0  o 98.788  5.6907  5306.48    606.313  0.0000     0.0000   5306.48    606.313  ?       ?       98.788  5.6907  0.000000       5.690682  
1 1 1 12  14  1  o 157.029 6.6753  13367.53   1135.33  0.0000     0.0000   13367.53   1135.33  ?       ?       157.029 6.6753  0.000000       6.675317  
1 1 1 12  14  2  o 428.734 14.549  100063.00  6756.12  0.0000     0.0000   100063.00  6756.12  ?       ?       428.734 14.549  0.000000       14.54920  
1 1 1 12  14  3  o 447.132 8.7555  108489.80  4240.22  111818.30  7341.14  106823.50  5194.29  453.061 14.960  443.449 10.815  9.612152       18.45978  
1 1 1 12  14  4  o 118.797 3.3581  7645.30    432.090  7279.01    733.930  7839.61    534.549  115.729 5.8745  120.288 4.1029  -4.558678      7.165427  
1 1 1 12  14  5  o 150.414 4.5216  12260.18   736.633  13744.78   1041.34  10773.20   1042.17  159.221 6.0384  140.940 6.8271  18.28085       9.114369  
1 1 1 12  14  6  o 277.514 5.8221  41756.76   1749.99  40805.61   2144.36  43653.39   3028.06  274.248 7.2191  283.433 9.8638  -9.184662      12.22334  
1 1 1 12  14  7  o 229.631 4.1968  28576.22   1043.80  29996.05   1477.05  27159.86   1475.25  235.192 5.7983  223.781 6.0865  11.41022       8.406354  
1 1 1 12  14  8  o 94.447  2.6870  4832.33    274.866  4906.19    390.973  4760.14    386.503  95.150  3.7937  93.723  3.8075  1.427177       5.374873  
1 1 1 12  14  9  o 283.249 5.0461  43506.55   1548.09  43763.62   2190.16  43249.87   2188.51  283.898 7.1227  282.223 7.1596  1.675110       10.09910  
1 1 1 12  14  10 o 233.302 4.3114  29508.42   1089.45  30127.90   1541.49  28890.19   1539.94  235.616 6.0404  230.716 6.1625  4.900482       8.629173  
1 1 1 12  14  11 f 217.079 4.1030  25547.54   964.698  26371.67   1364.98  24725.08   1363.60  220.440 5.7170  213.433 5.8987  7.007339       8.214517  
1 1 1 12  14  12 o 161.372 3.3914  14114.38   592.752  14221.20   842.081  14009.47   834.524  161.914 4.8017  160.705 4.7945  1.209427       6.785543  
1 1 1 12  14  13 o 240.531 4.4457  31381.07   1158.19  31326.31   1639.02  31435.67   1636.83  240.130 6.3018  240.552 6.2824  -0.4211273     8.898385  
1 1 1 12  14  14 o 150.002 3.2710  12196.66   531.438  12266.73   746.605  12124.69   756.630  150.365 4.5843  149.486 4.6732  0.8784637      6.546344  
1 1 1 12  14  15 o 132.720 3.6113  9551.10    519.118  9531.87    637.057  9589.10    895.582  132.544 4.4376  132.821 6.2254  -0.2766418     7.645129  
1 1 1 12  14  16 o 129.684 3.1105  9117.41    436.904  9600.07    619.849  8640.85    615.920  133.008 4.3027  126.175 4.5069  6.832260       6.230999  
1 1 1 12  14  17 o 86.743  2.6943  4078.54    253.131  4208.59    398.726  3990.74    327.620  88.059  4.1805  85.776  3.5264  2.282227       5.469231  
1 1 1 12  14  18 o 92.760  2.9345  4665.91    294.824  4628.20    418.781  4702.96    415.133  92.321  4.1881  93.068  4.1183  -0.7468033     5.873717  
1 1 1 12  14  19 o 83.139  3.0074  3749.95    270.810  3985.24    388.705  3528.02    377.507  85.635  4.1908  80.446  4.3488  5.188828       6.039414  
1 1 1 12  14  20 o 42.573  1.9700  982.584    90.838   872.130    292.465  994.377    95.564   39.276  7.1381  42.826  2.0602  -3.550480      7.429439  
1 1 1 12  14  21 o 36.155  6.9771  743.740    263.321  727.509    337.583  768.959    420.803  35.470  8.8234  36.458  10.236  -0.9871101     13.51428  
1 1 1 12  14  22 o 37.956  6.7701  819.763    268.115  1001.21    344.090  539.338    427.771  41.742  7.9001  31.474  10.600  10.26815       13.21984  
1 1 1 12  14  23 o 105.170 3.1019  6023.86    353.338  6246.20    495.858  5794.51    503.624  106.821 4.2858  102.824 4.5221  3.996956       6.230380  
1 1 1 12  14  24 o 67.910  3.4773  2526.11    254.910  2579.67    364.716  2474.95    356.422  68.231  4.9693  66.828  4.9596  1.403236       7.020761  
1 1 1 12  14  25 o 22.992  7.1902  299.102    198.853  654.904    270.886  -116.6985  292.837  33.311  7.6670  16.918  7.6137  16.39280       10.80516  
1 1 1 12  14  26 f 55.704  4.2502  1722.68    254.495  1730.28    364.855  1715.47    355.163  55.073  6.2259  54.900  6.0747  0.1731148      8.698514  
1 1 1 12  14  27 o 42.470  5.3208  1027.27    239.382  1023.24    347.284  1030.91    330.421  41.154  8.0795  41.536  7.6256  -0.3820114     11.10980  
1 1 1 12  14  28 o 49.342  4.5896  1372.17    242.467  1349.37    336.751  1396.71    349.399  47.924  6.6683  48.689  6.8120  -0.7654533     9.532528  
1 1 1 12  14  29 o 42.564  5.8219  1065.59    261.361  1318.74    378.524  834.937    361.316  46.033  7.8751  35.524  9.2864  10.50825       12.17596  
1 1 1 12  14  30 o 24.080  8.0854  380.071    248.897  341.640    360.354  415.132    344.189  23.757  9.4151  25.028  9.3869  -1.271259      13.29507  
1 1 1 12  14  31 o 32.960  1.5231  593.161    54.374   597.288    55.027   422.278    354.079  33.072  1.5362  24.647  9.4565  8.425062       9.580442  
1 1 1 12  14  32 o 37.575  7.1412  943.330    280.008  1198.49    403.284  705.826    389.079  39.539  9.5290  29.119  10.101  10.42008       13.88636  
1 1 1 12  14  33 o 18.595  8.1730  136.559    317.759  490.365    410.817  -390.3411  501.337  24.257  9.8974  16.949  8.2800  7.308109       12.90419  
1 1 1 12  15  0  o 431.715 14.642  101439.90  6846.27  0.0000     0.0000   101439.90  6846.27  ?       ?       431.715 14.642  0.000000       14.64156  
1 1 1 12  15  1  o 628.186 20.963  215973.80  14262.70 0.0000     0.0000   215973.80  14262.70 ?       ?       628.186 20.963  0.000000       20.96251  
1 1 1 12  15  2  o 324.399 6.5833  57052.92   2313.08  56867.11   4002.54  57146.09   2834.29  323.512 11.423  324.574 8.0623  -1.062134      13.98151  
1 1 1 12  15  3  o 325.656 6.5379  57499.37   2306.06  59320.39   3989.53  56585.65   2825.99  330.406 11.148  322.959 8.0789  7.447174       13.76772  
1 1 1 12  15  4  f 360.521 8.7652  70547.98   3422.66  71934.63   4839.95  69160.84   4840.78  363.651 12.288  356.538 12.535  7.112213       17.55379  
1 1 1 12  15  5  o 338.596 6.9003  62183.14   2530.58  61319.33   3100.35  63907.31   4380.19  336.101 8.5167  342.752 11.799  -6.650940      14.55158  
1 1 1 12  15  6  f 169.068 4.2091  15489.60   770.756  15381.59   980.432  15664.35   1247.08  168.444 5.3739  169.933 6.7756  -1.489273      8.647969  
1 1 1 12  15  7  o 175.341 3.6007  16658.57   683.814  17134.94   967.313  16182.71   966.804  177.786 5.0234  172.770 5.1665  5.015717       7.206098  
1 1 1 12  15  8  o 188.130 3.6731  19179.14   748.456  20023.19   1059.70  18338.99   1057.26  192.169 5.0913  183.900 5.3080  8.269043       7.354985  
1 1 1 12  15  9  o 219.733 4.0978  26170.84   975.251  26446.52   1380.98  25896.58   1377.45  220.790 5.7748  218.480 5.8210  2.310776       8.199514  
1 1 1 12  15  10 o 390.061 6.7303  82615.26   2843.39  83087.90   4021.49  82142.77   4020.82  390.659 9.5043  388.420 9.5575  2.239777       13.47873  
1 1 1 12  15  11 o 259.759 4.9032  36598.70   1379.50  37809.24   1826.16  34989.77   2105.31  263.874 6.3896  253.696 7.6618  10.17792       9.976482  
1 1 1 12  15  12 o 65.648  2.8010  2335.26    199.159  2361.86    285.772  2310.15    277.707  65.878  4.0244  65.156  3.9538  0.7220459      5.641654  
1 1 1 12  15  13 o 108.222 2.8804  6346.93    337.629  6158.29    476.382  6537.33    478.585  106.564 4.1274  109.799 4.0243  -3.234253      5.764565  
1 1 1 12  15  14 f 254.658 4.6090  35185.75   1271.27  34928.89   1796.54  35443.37   1799.16  253.486 6.5435  255.352 6.5052  -1.865646      9.226883  
1 1 1 12  15  15 o 340.811 6.8177  63184.87   2516.65  63870.43   3083.60  61817.35   4355.12  342.281 8.3177  335.538 11.984  6.742706       14.58741  
1 1 1 12  15  16 o 54.877  3.9603  1642.19    233.808  1464.83    431.443  1715.93    278.201  51.221  8.0418  56.034  4.6253  -4.812790      9.277058  
1 1 1 12  15  17 f 73.810  2.9424  2953.61    235.229  2761.34    337.799  3134.61    327.758  71.184  4.4030  75.898  4.0012  -4.714142      5.949422  
1 1 1 12  15  18 o 72.164  3.1755  2824.70    248.204  2576.11    367.228  3033.76    336.773  68.660  4.9718  74.628  4.1833  -5.967873      6.497601  
1 1 1 12  15  19 o 90.496  2.9375  4442.78    287.922  4834.93    406.846  4049.33    407.522  94.336  3.9818  86.194  4.3796  8.142380       5.919095  
1 1 1 12  15  20 o 66.731  2.5476  2415.83    184.133  2369.37    348.274  2433.86    216.931  65.745  4.9267  66.957  2.9913  -1.211838      5.763720  
1 1 1 12  15  21 o 34.841  5.1694  677.916    189.158  735.510    258.128  611.114    277.996  35.964  6.8773  32.577  7.9490  3.386616       10.51114  
1 1 1 12  15  22 o 78.321  4.2702  3361.12    360.872  3450.68    501.867  3265.23    519.277  78.945  5.9123  76.666  6.3096  2.279404       8.646770  
1 1 1 12  15  23 o 89.772  4.2288  4410.69    411.173  4722.76    574.653  4083.31    588.571  92.305  5.7770  85.579  6.3961  6.726349       8.618791  
1 1 1 12  15  24 o 82.779  3.2252  3739.64    289.166  4296.22    412.521  3201.96    405.455  88.461  4.3055  76.052  4.9492  12.40933       6.559884  
1 1 1 12  15  25 o 17.487  6.8966  105.334    192.478  -30.3445   263.293  261.075    282.087  17.173  7.4965  23.202  8.5369  -6.029221      11.36112  
1 1 1 12  15  26 o 49.187  4.6059  1351.58    242.519  1382.38    321.061  1310.65    370.087  49.173  6.1637  47.294  7.4730  1.878193       9.687005  
1 1 1 12  15  27 o 17.501  7.0201  101.103    202.737  117.041    275.219  82.194     299.779  19.773  8.0881  19.778  8.2963  -0.4871368E-02 11.58648  
1 1 1 12  15  28 f 30.636  6.8485  564.254    221.539  698.202    303.633  411.768    323.962  33.484  8.3895  26.434  9.2143  7.049755       12.46139  
1 1 1 12  15  29 o 19.808  7.7486  181.384    241.223  360.310    345.121  10.482     337.295  24.926  9.3896  19.072  8.4006  5.853291       12.59904  
1 1 1 12  15  30 o 21.372  8.1400  266.018    261.153  443.193    397.685  131.685    346.280  25.692  9.9771  20.235  8.7156  5.457685       13.24779  
1 1 1 12  15  31 o 18.406  7.5974  148.068    245.604  -46.0017   346.124  344.881    348.562  17.654  8.0751  23.199  9.2391  -5.544876      12.27058  
1 1 1 12  15  32 o 15.800  7.0123  22.892     239.402  348.795    320.640  -387.6544  359.877  22.502  8.8928  14.648  7.1244  7.854095       11.39468  
1 1 1 12  15  33 o 13.854  6.7741  -397.1287  337.876  -287.7806  474.549  -509.5522  481.177  17.156  8.3059  16.006  7.8785  1.149378       11.44805  
1 1 1 12  16  0  o 213.259 8.1089  24668.75   1873.01  0.0000     0.0000   24668.75   1873.01  ?       ?       213.259 8.1089  0.000000       8.108899  
1 1 1 12  16  1  o 170.626 3.9683  15772.44   733.357  14907.69   1261.68  16213.67   901.237  165.812 7.0253  172.980 4.8103  -7.167099      8.514308  
1 1 1 12  16  2  o 340.303 8.3103  62828.77   3063.03  63355.03   4332.00  62302.61   4331.55  341.420 11.715  338.562 11.812  2.857819       16.63622  
1 1 1 12  16  3  o 354.417 8.6205  68167.25   3309.15  68157.75   4679.49  68176.75   4680.21  354.022 12.204  354.071 12.204  -0.4931641E-01 17.25904  
1 1 1 12  16  4  o 173.207 3.9958  16254.71   749.614  16662.59   920.687  15452.61   1291.11  175.346 4.8478  168.792 7.0622  6.553955       8.565965  
1 1 1 12  16  5  o 257.648 5.8672  35990.85   1637.30  38023.04   2116.49  32962.24   2583.77  264.734 7.3813  246.327 9.6844  18.40717       12.17667  
1 1 1 12  16  6  o 377.194 6.6402  77175.03   2712.77  76828.01   3836.34  77522.09   3836.53  376.035 9.4193  377.735 9.3774  -1.700256      13.29128  
1 1 1 12  16  7  o 711.782 11.815  275976.50  9108.59  272147.91  12881.56 279805.00  12881.42 704.694 16.877  714.656 16.642  -9.961792      23.70193  
1 1 1 12  16  8  o 325.096 5.6771  57323.36   1998.96  55545.25   2827.26  59100.70   2826.66  319.751 8.1636  329.858 7.9118  -10.10675      11.36846  
1 1 1 12  16  9  o 369.010 6.3533  73903.26   2539.27  73564.91   3591.69  74241.38   3590.44  367.759 9.0171  369.454 8.9726  -1.695007      12.72063  
1 1 1 12  16  10 o 382.739 6.5648  79535.45   2721.42  84793.82   3849.86  74283.63   3847.47  394.742 9.0045  369.344 9.6178  25.39847       13.17509  
1 1 1 12  16  11 o 365.207 6.2538  72419.11   2473.75  74391.18   3499.29  70449.04   3497.52  369.687 8.7393  359.708 8.9772  9.978943       12.52855  
1 1 1 12  16  12 f 413.626 7.3754  93024.52   3304.19  95692.03   4331.19  89310.57   5110.61  418.950 9.5450  404.070 11.677  14.88031       15.08206  
1 1 1 12  16  13 o 198.631 3.8478  21392.31   827.814  21817.59   1170.91  20967.32   1170.51  200.480 5.3924  196.525 5.4990  3.954605       7.701746  
1 1 1 12  16  14 o 141.283 3.1640  10819.50   484.168  11480.57   689.942  10178.08   679.609  145.476 4.3787  136.965 4.5812  8.511658       6.337263  
1 1 1 12  16  15 o 147.391 3.7659  11781.09   601.181  11776.47   736.985  11790.28   1039.33  147.311 4.6191  147.245 6.5169  0.6553650E-01  7.987850  
1 1 1 12  16  16 o 210.516 4.6556  24058.42   1061.53  25289.34   1838.58  23442.90   1300.12  215.346 7.8827  207.669 5.7802  7.677078       9.774860  
1 1 1 12  16  17 o 51.368  3.4041  1437.37    188.319  1560.54    270.225  1321.06    262.585  53.397  4.7210  49.057  5.0123  4.339390       6.885589  
1 1 1 12  16  18 o 84.244  2.9449  3848.71    268.709  3884.05    379.907  3813.34    380.116  84.572  4.1474  83.796  4.1881  0.7756958      5.894214  
1 1 1 12  16  19 o 91.179  2.9349  4510.27    289.837  4516.63    408.499  4503.82    411.299  91.163  4.1372  91.031  4.1716  0.1319733      5.875206  
1 1 1 12  16  20 o 29.140  1.2940  460.062    40.840   141.485    236.819  469.827    41.461   19.910  7.7082  29.447  1.2999  -9.537607      7.817022  
1 1 1 12  16  21 o 63.134  3.4942  2175.17    238.010  2378.80    336.439  1971.16    336.756  65.827  4.7507  59.795  5.2530  6.032711       7.082600  
1 1 1 12  16  22 o 39.769  5.9367  889.435    247.884  1070.56    341.329  687.299    360.583  43.277  7.5568  34.320  9.4162  8.957523       12.07355  
1 1 1 12  16  23 o 68.180  4.4517  2557.81    326.936  2668.89    452.714  2436.73    472.643  69.181  6.1044  65.878  6.7180  3.302444       9.077238  
1 1 1 12  16  24 o 102.027 3.2623  5682.33    360.505  5884.05    515.307  5488.97    504.525  103.417 4.6005  99.863  4.6645  3.554192       6.551531  
1 1 1 12  16  25 o 18.054  6.7950  141.096    180.662  265.935    263.502  30.358     248.175  22.982  8.2817  17.690  7.4911  5.292295       11.16703  
1 1 1 12  16  26 o 42.582  4.6494  1016.59    210.952  785.365    306.716  1224.15    290.599  36.180  8.0362  46.315  5.9291  -10.13511      9.986715  
1 1 1 12  16  27 o 29.280  6.8389  511.433    212.957  669.788    289.140  323.686    314.831  33.110  8.1237  24.653  9.0266  8.457310       12.14383  
1 1 1 12  16  28 o 34.789  6.5181  718.240    236.579  756.691    340.085  682.184    329.320  34.571  8.9960  32.834  8.9948  1.737354       12.72141  
1 1 1 12  16  29 o 15.270  6.8682  -64.1942   237.918  0.3356     343.283  -123.8412  330.040  19.044  8.4270  17.215  7.8782  1.828650       11.53609  
1 1 1 12  16  30 o 12.167  3.0818  85.643     40.657   218.198    338.432  83.702     40.954   21.406  8.8838  12.030  3.1176  9.376569       9.414979  
1 1 1 12  16  31 o 15.558  6.9906  -22.1800   245.730  -129.8656  352.481  79.643     342.752  16.901  7.8763  19.068  8.4298  -2.166464      11.53681  
1 1 1 12  16  32 o 16.616  7.2116  72.795     240.739  224.702    324.053  -114.3001  359.633  20.380  8.5912  16.820  7.8770  3.559265       11.65571  
1 1 1 12  16  33 o 17.792  8.0355  58.857     329.574  223.291    444.193  -142.5294  491.577  20.974  9.4131  18.361  8.7760  2.612682       12.86952  
1 1 1 12  17  0  o 791.416 18.603  342145.00  15945.80 337662.19  22554.50 346624.91  22547.04 782.695 26.605  793.201 26.244  -10.50659      37.37133  
1 1 1 12  17  1  o 891.565 29.818  440389.41  28793.92 440389.41  28793.92 0.0000     0.0000   891.565 29.818  ?       ?       0.000000       29.81792  
1 1 1 12  17  2  o 446.921 9.6168  108441.10  4655.13  109479.00  6070.15  106959.10  7253.46  448.667 12.491  443.039 15.116  5.628632       19.60919  
1 1 1 12  17  3  o 241.954 5.2878  31729.17   1385.73  31154.89   1699.06  32870.10   2394.84  239.703 6.5443  246.078 8.9853  -6.375031      11.11595  
1 1 1 12  17  4  o 170.512 3.9600  15752.97   731.349  16214.69   898.398  14845.84   1259.25  172.973 4.7953  165.443 7.0274  7.530334       8.507623  
1 1 1 12  17  5  o 304.583 5.4258  50290.80   1789.94  50912.56   2531.36  49669.05   2531.36  306.309 7.6300  302.538 7.7251  3.771393       10.85788  
1 1 1 12  17  6  o 180.969 3.5306  17744.21   692.018  17018.14   978.166  18471.75   979.158  177.182 5.0971  184.602 4.8972  -7.419022      7.068432  
1 1 1 12  17  7  o 261.787 4.7233  37149.70   1339.25  34377.79   1893.56  39924.05   1894.40  251.691 6.9461  271.274 6.4475  -19.58319      9.477303  
1 1 1 12  17  8  o 197.044 3.7571  21041.03   801.846  20509.52   1134.43  21571.70   1133.53  194.468 5.3859  199.448 5.2473  -4.979355      7.519443  
1 1 1 12  17  9  o 136.370 3.0216  10076.10   446.303  10635.67   633.738  9525.52    628.628  140.073 4.1772  132.555 4.3785  7.518112       6.051484  
1 1 1 12  17  10 o 240.626 4.3700  31392.43   1138.91  31640.45   1613.23  31145.99   1608.10  241.436 6.1691  239.539 6.1982  1.896576       8.745074  
1 1 1 12  17  11 o 87.887  2.6887  4185.06    255.940  4827.23    365.625  3568.03    358.392  94.371  3.5771  81.020  4.0974  13.35127       5.439123  
1 1 1 12  17  12 o 277.191 4.9610  41686.69   1489.41  41480.25   2107.16  41892.81   2105.54  276.246 7.0425  277.623 7.0023  -1.376251      9.931219  
1 1 1 12  17  13 o 76.283  2.7729  3153.33    229.107  3265.61    327.137  3045.25    320.962  77.507  3.9095  74.834  3.9741  2.672646       5.574765  
1 1 1 12  17  14 o 280.941 4.9855  42838.64   1517.03  43407.96   2146.41  42270.39   2144.41  282.495 7.0151  278.753 7.1026  3.741547       9.982888  
1 1 1 12  17  15 o 242.618 5.1798  31962.42   1361.15  31505.85   1666.18  32878.47   2360.07  240.712 6.3908  245.440 8.8779  -4.728073      10.93885  
1 1 1 12  17  16 o 156.055 3.8785  13211.14   655.554  12810.42   1133.41  13412.59   803.611  153.394 6.8220  157.175 4.7205  -3.781006      8.295945  
1 1 1 12  17  17 o 39.841  1.9755  860.034    85.246   1057.26    280.635  839.987    89.474   43.661  6.1011  39.316  2.1089  4.345577       6.455242  
1 1 1 12  17  18 o 80.446  2.9526  3509.67    257.261  3653.28    363.824  3366.06    363.821  82.022  4.0954  78.605  4.2896  3.416634       5.930625  
1 1 1 12  17  19 o 79.616  3.0631  3439.58    264.137  3863.25    372.237  3009.90    374.868  84.312  4.0762  74.233  4.6865  10.07970       6.211180  
1 1 1 12  17  20 o 94.272  2.7629  4823.49    282.108  5169.40    420.116  4539.42    380.711  97.479  3.9791  91.360  3.8474  6.119194       5.534998  
1 1 1 12  17  21 o 126.772 3.0985  8735.89    425.447  8961.62    600.514  8508.41    602.837  128.174 4.3257  124.863 4.4576  3.310997       6.211379  
1 1 1 12  17  22 o 40.106  4.5266  890.830    193.187  821.430    263.639  971.308    283.901  38.009  6.6461  41.436  6.5431  -3.427341      9.326442  
1 1 1 12  17  23 o 76.216  4.3343  3191.71    356.315  3372.94    494.582  2996.14    513.776  77.887  5.9067  73.161  6.5531  4.726166       8.822323  
1 1 1 12  17  24 o 64.496  4.6287  2300.56    321.191  2532.92    441.654  2039.69    467.950  67.178  6.1377  59.748  7.3886  7.430321       9.605343  
1 1 1 12  17  25 o 53.562  2.3839  1561.67    138.299  1827.96    322.990  1501.89    153.038  57.157  5.2769  52.420  2.7047  4.736984       5.929643  
1 1 1 12  17  26 o 30.696  1.0242  510.879    34.053   -182.4864  307.212  519.505    34.264   16.455  7.5562  30.954  1.0220  -14.49918      7.625000  
1 1 1 12  17  27 o 42.386  2.2735  982.561    103.991  1121.31    314.789  965.565    110.176  43.683  6.8810  41.986  2.4332  1.696514       7.298518  
1 1 1 12  17  28 o 16.051  6.8026  34.431     204.911  175.145    278.602  -131.3949  302.441  20.768  8.2634  16.656  7.5912  4.111923       11.22096  
1 1 1 12  17  29 o 34.788  6.4336  733.102    233.483  852.522    312.169  581.475    351.754  36.527  8.1026  29.488  9.6014  7.039007       12.56337  
1 1 1 12  17  30 f 14.027  6.4446  -97.9096   223.853  43.889     302.610  -269.2807  332.672  18.113  7.9682  15.380  7.3141  2.733513       10.81613  
1 1 1 12  17  31 o 26.545  7.9298  486.762    245.476  357.594    333.447  639.594    362.707  23.275  9.1086  28.877  9.7601  -5.601881      13.35017  
1 1 1 12  17  32 o 19.011  7.7903  192.592    255.898  376.060    363.662  12.648     360.152  23.058  9.3482  18.096  8.2616  4.962530       12.47567  
1 1 1 12  17  33 o 23.089  9.2518  409.462    351.713  240.962    454.687  660.478    554.960  21.238  9.5282  26.013  11.115  -4.775118      14.63985  
1 1 1 12  18  0  o 161.934 4.1739  14207.35   732.057  15372.18   926.643  12273.28   1194.04  168.423 5.0797  150.438 7.3281  17.98549       8.916542  
1 1 1 12  18  1  o 364.730 7.1247  72140.08   2814.55  73610.90   3448.68  69206.45   4870.52  368.311 8.6450  356.720 12.606  11.59152       15.28557  
1 1 1 12  18  2  o 213.559 4.6300  24713.82   1070.94  24934.38   1313.80  24277.06   1848.83  214.478 5.6556  211.534 8.0695  2.944550       9.854063  
1 1 1 12  18  3  o 236.070 5.1023  30203.57   1304.59  29791.60   1599.99  31020.76   2253.45  234.406 6.3020  239.064 8.7029  -4.658112      10.74501  
1 1 1 12  18  4  o 244.650 4.4287  32434.33   1173.51  32956.20   1659.44  31912.28   1659.74  246.535 6.2146  242.594 6.3167  3.941025       8.861286  
1 1 1 12  18  5  o 123.449 3.0295  8255.72    405.064  8737.21    572.231  7772.15    573.464  126.979 4.1607  119.757 4.4211  7.222557       6.071086  
1 1 1 12  18  6  o 619.276 9.9867  208503.09  6698.51  218844.80  9473.33  198162.30  9472.91  633.318 13.811  602.413 14.518  30.90552       20.03784  
1 1 1 12  18  7  o 593.557 10.197  191676.09  6555.62  185741.30  9270.86  197611.41  9271.23  582.856 14.685  601.365 14.234  -18.50879      20.45171  
1 1 1 12  18  8  o 475.388 8.0627  122787.90  4151.46  122972.50  5871.51  122603.50  5870.59  474.969 11.413  474.251 11.429  0.7172852      16.15192  
1 1 1 12  18  9  o 480.535 8.0831  125508.00  4207.00  126580.20  5950.14  124436.30  5949.05  481.717 11.404  477.591 11.501  4.126068       16.19629  
1 1 1 12  18  10 o 269.716 4.8385  39452.71   1413.46  39659.48   1999.85  39246.32   1998.02  270.229 6.8327  268.815 6.8624  1.414642       9.683963  
1 1 1 12  18  11 o 108.097 2.8011  6331.48    327.954  6657.73    467.697  6015.90    459.993  110.819 3.8965  105.338 4.0318  5.480858       5.606969  
1 1 1 12  18  12 o 268.300 4.8638  39053.44   1413.40  37782.06   1999.05  40324.29   1998.63  263.643 7.0006  272.401 6.7741  -8.757568      9.741561  
1 1 1 12  18  13 o 165.146 3.4333  14784.30   614.115  15619.35   872.525  13964.53   864.509  169.671 4.7479  160.417 4.9756  9.254303       6.877461  
1 1 1 12  18  14 o 89.953  2.5550  4384.60    248.928  5050.86    378.270  3875.68    330.601  96.518  3.6185  84.547  3.6102  11.97042       5.111469  
1 1 1 12  18  15 o 124.751 3.0404  8435.91    410.820  8951.99    578.268  7909.99    583.747  128.459 4.1562  120.735 4.4640  7.723488       6.099243  
1 1 1 12  18  16 o 56.505  3.7556  1739.55    228.538  1778.92    385.941  1718.29    283.609  56.827  6.3807  56.059  4.7147  0.7679100      7.933568  
1 1 1 12  18  17 o 147.779 3.3303  11844.45   533.055  11927.10   729.936  11750.00   780.287  148.198 4.5475  147.061 4.8988  1.137146       6.684127  
1 1 1 12  18  18 o 49.182  3.6626  1320.12    193.708  1175.86    282.809  1447.61    265.865  46.112  5.7902  51.377  4.8346  -5.264771      7.543168  
1 1 1 12  18  19 o 84.446  2.9821  3869.42    272.760  4193.05    378.396  3519.38    393.530  87.841  3.9772  80.307  4.5430  7.533844       6.037960  
1 1 1 12  18  20 o 100.649 2.9464  5500.04    321.196  5814.65    452.955  5181.84    455.536  103.370 4.0457  97.552  4.3114  5.818733       5.912317  
1 1 1 12  18  21 o 23.135  6.0287  304.848    152.593  146.635    212.227  474.181    219.559  19.284  7.3396  28.746  7.0949  -9.461575      10.20821  
1 1 1 12  18  22 o 73.872  3.1923  2970.65    255.416  3151.44    351.925  2769.43    371.276  75.808  4.3039  70.924  4.8626  4.883934       6.493703  
1 1 1 12  18  23 o 137.197 3.7377  10281.88   555.421  10486.54   942.585  10173.01   687.446  137.459 6.3311  136.145 4.6619  1.313934       7.862306  
1 1 1 12  18  24 o 15.692  6.8376  -28.2859   218.179  80.660     293.894  -162.0445  325.647  19.994  8.2866  17.465  7.9280  2.528700       11.46823  
1 1 1 12  18  25 o 58.825  4.1751  1913.19    264.284  1930.24    364.054  1894.21    384.274  58.533  5.8196  57.815  6.2353  0.7173157      8.529156  
1 1 1 12  18  26 o 21.951  7.2745  268.319    201.594  -0.1104    272.099  594.958    300.156  17.793  7.6946  31.312  8.5911  -13.51904      11.53319  
1 1 1 12  18  27 f 35.040  2.7015  675.482    101.734  1217.60    312.950  611.424    107.577  45.723  6.5025  33.260  3.0192  12.46329       7.169213  
1 1 1 12  18  28 o 28.377  7.0015  488.371    213.867  638.855    332.028  381.664    279.593  31.688  9.1580  25.348  8.5692  6.340153       12.54196  
1 1 1 12  18  29 o 20.648  7.5577  235.534    220.679  175.708    289.398  318.654    341.116  20.507  8.3303  23.923  9.2541  -3.415588      12.45124  
1 1 1 12  18  30 o 14.801  6.6692  -45.8884   225.536  -39.9866   303.078  -53.2122   337.622  17.000  7.6892  17.646  8.0341  -0.6460934     11.12070  
1 1 1 12  18  31 o 22.642  7.6625  341.162    223.555  407.625    323.967  280.744    308.882  24.201  9.1011  21.676  8.6757  2.525209       12.57367  
1 1 1 12  18  32 o 17.740  7.6108  116.598    262.119  -4.6617    390.700  215.852    353.473  18.402  8.4765  20.515  8.8207  -2.112650      12.23343  
1 1 1 12  18  33 f 15.144  7.3820  -380.6315  392.426  -440.7757  522.224  -302.6150  594.776  17.011  8.3397  18.674  9.0996  -1.662590      12.34314  
1 1 1 12  19  0  o 508.392 9.8950  140342.70  5448.58  138117.59  6674.04  144789.20  9434.64  503.993 12.226  515.073 16.912  -11.07928      20.86829  
1 1 1 12  19  1  o 299.170 6.7135  48531.31   2175.38  49135.39   2821.02  47645.14   3416.79  300.901 8.6559  296.144 10.652  4.757141       13.72578  
1 1 1 12  19  2  o 286.000 5.1897  44331.64   1607.60  42480.56   2273.28  46183.39   2273.69  279.846 7.5000  291.807 7.1939  -11.96069      10.39245  
1 1 1 12  19  3  o 119.903 2.8373  7787.69    368.476  7509.82    519.915  8068.11    522.300  117.729 4.0774  122.028 3.9517  -4.299545      5.678131  
1 1 1 12  19  4  o 239.799 4.6292  31163.45   1202.32  31539.74   1699.83  30786.72   1700.86  241.159 6.5078  238.258 6.5910  2.900574       9.262407  
1 1 1 12  19  5  o 324.249 5.8943  57009.64   2070.05  54877.99   2927.02  59142.66   2927.96  317.912 8.5006  330.065 8.1902  -12.15277      11.80422  
1 1 1 12  19  6  o 128.070 2.9411  8885.67    407.976  8336.59    576.372  9437.01    577.559  124.026 4.2906  131.963 4.0409  -7.937553      5.893901  
1 1 1 12  19  7  o 296.290 5.2671  47602.07   1690.30  48980.92   2390.71  46223.87   2390.16  300.370 7.3485  291.773 7.5633  8.597443       10.54536  
1 1 1 12  19  8  o 105.818 2.8073  6066.45    321.745  6214.99    457.276  5920.82    452.790  107.084 3.9426  104.518 3.9998  2.566223       5.616247  
1 1 1 12  19  9  o 94.941  2.6849  4883.44    276.093  5087.73    395.059  4688.40    386.008  96.887  3.7647  93.006  3.8319  3.881241       5.371785  
1 1 1 12  19  10 o 169.779 3.5127  15622.26   645.945  15400.97   915.077  15842.03   911.941  168.505 5.0139  170.906 4.9265  -2.400467      7.029198  
1 1 1 12  19  11 o 65.898  2.6966  2352.93    192.469  2139.26    274.391  2559.88    270.044  62.683  4.0634  68.624  3.6463  -5.940571      5.459557  
1 1 1 12  19  12 o 141.678 3.1194  10878.47   478.679  10738.63   678.534  11017.02   675.385  140.710 4.4522  142.525 4.3751  -1.815933      6.242107  
1 1 1 12  19  13 o 174.097 3.7040  16433.06   698.440  16249.89   941.087  16657.67   1042.10  173.041 5.0212  175.163 5.4929  -2.121689      7.442057  
1 1 1 12  19  14 o 205.263 3.9290  22849.27   873.495  22823.59   1236.49  22874.86   1234.13  205.003 5.5688  205.234 5.5519  -0.2318573     7.863518  
1 1 1 12  19  15 f 201.137 4.0604  21945.85   884.565  22191.12   1181.17  21632.63   1334.80  202.128 5.3953  199.477 6.1781  2.651276       8.202294  
1 1 1 12  19  16 o 26.653  7.2474  399.660    214.737  601.146    300.096  188.242    307.403  32.577  8.4377  22.858  8.8010  9.718567       12.19232  
1 1 1 12  19  17 o 158.995 3.5049  13713.37   603.580  13587.35   819.496  13862.78   892.329  158.147 4.7843  159.701 5.1588  -1.553894      7.035781  
1 1 1 12  19  18 o 202.365 3.9273  22235.92   860.794  22850.19   1217.85  21622.66   1216.84  204.884 5.4880  199.276 5.6378  5.607529       7.867860  
1 1 1 12  19  19 o 28.631  5.7342  462.938    171.622  552.503    239.614  368.592    245.928  31.144  7.2406  25.907  7.9788  5.236904       10.77444  
1 1 1 12  19  20 o 126.221 3.1015  8653.05    424.005  9158.33    598.653  8144.45    600.620  129.687 4.2619  122.254 4.5359  7.433380       6.224051  
1 1 1 12  19  21 o 26.887  1.3443  391.789    39.149   289.652    213.644  395.338    39.823   23.156  7.4782  26.974  1.3676  -3.817755      7.602221  
1 1 1 12  19  22 o 104.559 2.9589  5947.56    335.092  6197.27    471.954  5693.71    475.853  106.512 4.0910  102.046 4.3054  4.466400       5.939065  
1 1 1 12  19  23 o 70.252  3.3026  2691.12    251.292  2797.17    346.112  2572.90    365.437  71.277  4.5065  68.223  4.9799  3.054153       6.716271  
1 1 1 12  19  24 o 25.503  8.1826  365.974    256.102  507.862    379.394  247.200    347.120  29.937  9.9824  24.242  9.3470  5.695662       13.67533  
1 1 1 12  19  25 o 63.525  4.7353  2242.84    323.469  2567.35    443.429  1873.76    472.900  67.423  6.1395  56.734  7.9111  10.68870       10.01390  
1 1 1 12  19  26 o 25.503  7.1194  384.332    204.168  506.713    275.770  235.880    303.726  29.024  8.3340  22.839  8.7594  6.184977       12.09059  
1 1 1 12  19  27 o 61.714  4.1863  2121.97    278.167  2589.11    382.124  1595.39    405.708  67.670  5.2548  51.913  7.4272  15.75760       9.098157  
1 1 1 12  19  28 o 29.097  1.3185  459.846    41.554   131.739    282.926  467.080    42.009   20.002  8.1934  29.325  1.3226  -9.322672      8.299489  
1 1 1 12  19  29 o 24.575  7.6391  379.526    224.835  211.622    295.539  610.214    346.416  21.244  8.4920  30.029  9.5042  -8.785400      12.74532  
1 1 1 12  19  30 o 33.068  7.0059  701.046    243.120  937.983    330.004  419.804    359.537  37.191  8.3918  25.039  9.5475  12.15246       12.71128  
1 1 1 12  19  31 o 25.070  7.9013  432.419    239.620  601.125    323.966  228.641    356.051  28.442  9.2112  21.286  8.9911  7.156164       12.87190  
1 1 1 12  19  32 o 17.102  7.5450  63.382     273.174  -355.9147  426.514  355.016    355.707  16.194  7.8483  22.632  9.2191  -6.438192      12.10737  
1 1 1 12  19  33 o 16.004  7.5903  -159.3771  353.520  -629.6318  431.722  797.691    615.898  14.526  7.2064  27.189  11.666  -12.66325      13.71200  
1 1 1 12  20  0  o 479.551 7.2654  124725.20  3773.65  128286.20  4871.26  119381.10  5967.60  486.124 9.2517  468.602 11.758  17.52191       14.96128  
1 1 1 12  20  1  o 705.100 13.833  270730.19  10563.99 268345.41  18300.93 271921.91  12936.94 698.040 24.206  705.685 16.926  -7.645996      29.53665  
1 1 1 12  20  2  o 437.932 7.5830  104041.70  3596.80  105883.20  5086.73  102200.30  5086.56  441.421 10.639  433.649 10.830  7.771393       15.18150  
1 1 1 12  20  3  o 363.400 6.3163  71608.50   2486.10  72550.73   3515.75  70666.14   3515.99  365.555 8.8796  360.764 8.9982  4.791321       12.64180  
1 1 1 12  20  4  o 121.597 2.9943  8009.77    394.358  7359.65    556.052  8667.69    559.376  116.537 4.4054  126.476 4.0834  -9.938805      6.006814  
1 1 1 12  20  5  o 56.318  2.7638  1718.16    168.589  1578.49    235.521  1864.93    241.431  53.818  4.0706  58.541  3.8288  -4.723335      5.588284  
1 1 1 12  20  6  o 100.046 2.6471  5422.06    286.836  5727.45    405.000  5114.71    406.297  102.811 3.6370  97.152  3.8612  5.658508       5.304396  
1 1 1 12  20  7  o 210.751 3.8508  24070.49   879.000  24559.34   1243.19  23581.80   1242.99  212.809 5.3936  208.525 5.5035  4.284134       7.705825  
1 1 1 12  20  8  o 239.942 4.4581  31211.08   1158.59  31052.62   1639.41  31369.19   1637.58  239.205 6.3277  240.425 6.2886  -1.219315      8.921090  
1 1 1 12  20  9  o 118.446 2.8400  7601.20    364.340  8226.73    518.309  6990.19    512.253  123.198 3.8843  113.555 4.1649  9.642975       5.695127  
1 1 1 12  20  10 o 165.604 3.3689  14862.59   604.271  15580.99   856.723  14151.37   852.431  169.502 4.6665  161.529 4.8724  7.973419       6.746587  
1 1 1 12  20  11 o 17.140  5.2390  159.531    106.258  79.199     158.668  224.856    143.082  15.983  6.2750  20.252  6.0550  -4.268806      8.720022  
1 1 1 12  20  12 o 170.747 3.4799  15803.50   643.570  15475.58   911.279  16129.80   909.015  168.883 4.9819  172.423 4.8675  -3.540222      6.965036  
1 1 1 12  20  13 o 308.578 5.3737  51692.16   1795.99  54525.76   2541.32  48864.80   2538.52  316.576 7.4116  299.614 7.8226  16.96259       10.77609  
1 1 1 12  20  14 o 167.983 3.4328  15298.17   624.572  15890.11   888.857  14720.86   877.803  171.114 4.7960  164.689 4.9211  6.425034       6.871574  
1 1 1 12  20  15 o 99.949  2.8761  5414.60    311.350  5600.71    436.390  5221.64    444.348  101.613 3.9651  98.105  4.1818  3.507874       5.762763  
1 1 1 12  20  16 o 116.921 3.5281  7414.19    446.791  7651.18    550.698  6957.77    764.260  118.733 4.2822  112.912 6.2740  5.820747       7.596110  
1 1 1 12  20  17 o 283.490 5.0603  43680.36   1553.75  43704.59   2198.05  43656.16   2196.61  283.054 7.1697  282.897 7.1689  0.1566772      10.13891  
1 1 1 12  20  18 o 138.617 3.2185  10424.79   483.212  11078.57   690.643  9797.87    676.313  142.778 4.4660  134.252 4.6511  8.525925       6.448141  
1 1 1 12  20  19 o 24.298  6.3235  334.633    168.022  320.870    236.399  348.684    238.857  24.465  7.8628  25.270  7.8767  -0.8048706     11.12947  
1 1 1 12  20  20 o 200.438 3.9139  21861.31   849.681  22717.86   1203.44  21009.92   1199.82  203.871 5.4501  195.990 5.6522  7.881424       7.851748  
1 1 1 12  20  21 o 131.338 3.1730  9381.24    451.367  9524.50    625.856  9225.96    651.579  132.087 4.3747  129.938 4.6298  2.148941       6.369677  
1 1 1 12  20  22 o 39.214  4.0843  848.970    170.930  921.844    237.101  770.112    246.644  40.574  5.5401  36.810  6.4198  3.763538       8.479753  
1 1 1 12  20  23 o 61.229  2.3171  2037.29    153.662  1947.10    321.087  2064.08    175.004  59.275  5.0494  61.601  2.6229  -2.325771      5.690005  
1 1 1 12  20  24 o 91.934  3.2907  4615.84    327.664  4765.63    464.881  4467.97    461.908  93.037  4.6133  89.919  4.7597  3.118149       6.628575  
1 1 1 12  20  25 o 50.161  5.2853  1412.85    282.824  1375.82    383.853  1456.83    418.313  48.633  7.5307  49.853  8.0190  -1.220051      11.00066  
1 1 1 12  20  26 o 26.248  8.3668  403.185    268.096  275.637    390.179  517.260    368.996  25.080  9.8421  29.526  9.8446  -4.445944      13.92061  
1 1 1 12  20  27 o 48.144  4.5844  1302.83    236.162  1038.88    322.115  1609.61    347.269  41.734  7.3970  52.814  6.1881  -11.08051      9.644041  
1 1 1 12  20  28 f 25.177  7.3427  385.108    212.581  410.605    285.213  353.239    318.863  26.033  8.6539  24.975  9.0933  1.058559       12.55301  
1 1 1 12  20  29 o 53.644  2.2174  1576.99    128.838  1541.78    335.271  1583.09    139.554  50.756  6.2295  53.694  2.3996  -2.938499      6.675735  
1 1 1 12  20  30 o 38.349  6.1835  906.493    248.107  996.869    333.740  794.836    370.957  38.519  8.2483  32.904  9.7293  5.614716       12.75518  
1 1 1 12  20  31 o 29.595  7.6207  595.407    245.748  906.481    331.534  216.058    366.113  35.720  8.6593  21.196  9.0413  14.52436       12.51914  
1 1 1 12  20  32 o 27.803  8.9661  597.189    307.203  675.749    448.322  527.651    421.792  27.615  10.630  25.384  10.146  2.231163       14.69443  
1 1 1 12  20  33 o 18.852  8.4687  110.959    360.452  156.350    427.057  -1.4768    672.128  20.110  9.1087  21.015  10.102  -0.9047775     13.60185  
1 1 1 12  21  0  o 358.316 6.2946  69610.78   2442.91  68309.21   2819.34  73532.05   4893.60  354.877 7.3350  367.673 12.288  -12.79581      14.31109  
1 1 1 12  21  1  o 146.072 3.1753  11558.55   502.364  11712.38   708.736  11403.23   712.176  147.019 4.4508  145.064 4.5327  1.954834       6.352577  
1 1 1 12  21  2  o 145.188 3.1594  11419.25   496.827  11850.63   702.327  10987.15   702.911  147.884 4.3848  142.391 4.5577  5.492981       6.324504  
1 1 1 12  21  3  o 139.093 2.9234  10480.29   440.421  10091.63   621.759  10871.68   623.945  136.469 4.2065  141.648 4.0669  -5.178787      5.851020  
1 1 1 12  21  4  o 344.328 5.6637  64281.16   2112.23  67440.00   2987.53  61123.97   2986.75  352.504 7.8249  335.553 8.2180  16.95020       11.34746  
1 1 1 12  21  5  o 158.508 3.0952  13611.54   531.382  13653.51   751.560  13569.58   751.414  158.723 4.3717  158.234 4.3844  0.4889526      6.191536  
1 1 1 12  21  6  o 165.807 3.4747  14896.22   624.008  14323.30   882.294  15469.63   882.666  162.541 5.0116  168.927 4.8242  -6.385925      6.956262  
1 1 1 12  21  7  o 349.302 6.2177  66200.42   2352.34  64691.48   3326.56  67709.65   3326.86  344.958 8.9035  352.943 8.7028  -7.985565      12.45034  
1 1 1 12  21  8  o 423.172 7.1661  97246.60   3284.51  101754.10  4645.87  92742.55   4644.11  432.322 9.9218  412.629 10.391  19.69275       14.36741  
1 1 1 12  21  9  o 329.930 5.8184  59067.43   2079.19  59791.39   2941.31  58344.35   2939.53  331.622 8.1889  327.570 8.2852  4.052673       11.64919  
1 1 1 12  21  10 o 225.554 4.1800  27582.79   1021.16  27347.15   1445.35  27817.64   1442.93  224.458 5.9452  226.386 5.8847  -1.927872      8.365132  
1 1 1 12  21  11 o 273.262 4.8955  40508.24   1448.92  40792.10   2050.16  40224.98   2048.00  273.985 6.9086  272.068 6.9500  1.916809       9.799524  
1 1 1 12  21  12 o 145.543 3.2799  11481.23   517.042  11689.69   711.573  11248.06   752.564  146.805 4.4752  143.987 4.8256  2.818146       6.581278  
1 1 1 12  21  13 o 173.644 3.5131  16346.20   660.731  16544.07   936.520  16150.10   932.325  174.601 4.9522  172.507 4.9899  2.094223       7.030173  
1 1 1 12  21  14 f 265.031 4.7302  38118.07   1357.82  40033.18   1921.25  36206.97   1919.24  271.352 6.5370  258.006 6.8680  13.34570       9.481671  
1 1 1 12  21  15 o 172.390 3.5091  16114.90   655.200  16829.20   926.703  15400.95   926.482  176.065 4.8596  168.409 5.0793  7.656021       7.029548  
1 1 1 12  21  16 o 292.874 6.5136  46688.56   2066.18  47507.05   2298.94  43249.42   4712.45  295.267 7.1886  278.101 15.709  17.16620       17.27586  
1 1 1 12  21  17 o 43.796  4.3571  1051.82    203.938  1151.92    351.029  1000.81    250.562  45.368  7.3987  42.535  5.5728  2.833076       9.262650  
1 1 1 12  21  18 o 283.645 5.0750  43773.87   1559.12  44372.44   2205.03  43175.41   2204.82  284.927 7.1451  281.022 7.2437  3.905365       10.17470  
1 1 1 12  21  19 o 100.582 2.9759  5490.47    324.197  5941.74    452.596  5014.93    464.608  104.544 3.9971  95.999  4.4684  8.545158       5.995243  
1 1 1 12  21  20 o 200.901 3.9184  21966.13   852.639  23710.33   1205.94  20222.67   1205.69  208.282 5.3457  192.201 5.7917  16.08047       7.881661  
1 1 1 12  21  21 o 162.429 3.4723  14362.30   610.878  14998.01   869.098  13741.55   858.816  165.579 4.8461  158.439 5.0046  7.140274       6.966383  
1 1 1 12  21  22 o 108.244 3.0074  6376.15    352.590  6845.10    491.396  5878.50    506.210  111.933 4.0533  103.621 4.5104  8.311905       6.064043  
1 1 1 12  21  23 o 51.042  3.6585  1430.29    200.911  1634.17    291.648  1246.16    277.168  54.269  5.0186  47.200  5.5262  7.068493       7.464942  
1 1 1 12  21  24 o 48.256  4.4897  1291.62    231.966  1286.25    304.883  1299.01    357.450  47.709  6.0351  47.560  7.1612  0.1491623      9.365121  
1 1 1 12  21  25 o 50.230  5.3091  1417.72    284.458  1756.62    384.203  1006.55    423.184  55.495  6.5160  40.556  9.7534  14.93914       11.72975  
1 1 1 12  21  26 o 25.422  7.9534  378.203    243.280  597.448    324.142  95.399     368.141  31.276  9.0514  21.755  9.1633  9.521009       12.87994  
1 1 1 12  21  27 o 73.623  3.5646  2988.22    284.244  3136.40    393.812  2827.08    410.683  74.701  4.8944  70.621  5.4102  4.080048       7.295607  
1 1 1 12  21  28 o 15.728  6.7118  25.261     201.901  -64.1304   271.048  136.687    302.615  16.506  7.3842  20.479  8.4410  -3.973127      11.21500  
1 1 1 12  21  29 o 21.245  7.5769  262.962    220.018  102.199    286.072  495.760    344.248  19.036  8.0509  27.325  9.4999  -8.288675      12.45252  
1 1 1 12  21  30 o 42.036  1.5501  964.228    70.572   436.706    323.808  990.534    72.310   25.291  9.1704  42.602  1.5671  -17.31088      9.303301  
1 1 1 12  21  31 o 20.924  7.9176  271.773    246.071  460.480    340.281  64.924     356.263  25.188  9.3557  19.027  8.4924  6.161072       12.63527  
1 1 1 12  21  32 o 15.730  7.4708  -193.9562  344.871  -9.9749    405.772  -672.6149  654.497  18.524  8.5700  18.042  8.9371  0.4822559      12.38207  
1 1 1 12  21  33 o 26.397  9.7884  597.600    372.180  760.833    442.223  201.224    689.114  28.452  10.646  22.316  10.588  6.135609       15.01464  
1 1 1 12  22  0  o 609.713 10.170  201954.50  6715.90  203588.50  7753.79  197046.80  13437.32 611.865 11.700  599.318 20.701  12.54749       23.77837  
1 1 1 12  22  1  o 483.746 8.2364  126996.90  4315.46  129165.90  4981.96  120478.60  8636.63  487.699 9.4314  469.559 16.982  18.14005       19.42507  
1 1 1 12  22  2  o 445.606 8.2700  107772.60  3991.40  107497.50  6182.01  107969.20  5226.84  444.341 12.845  445.659 10.828  -1.318298      16.80047  
1 1 1 12  22  3  o 254.879 4.7924  35208.92   1322.98  36779.68   1870.67  33637.11   1871.29  260.408 6.6324  249.017 6.9381  11.39122       9.598251  
1 1 1 12  22  4  o 330.710 5.7133  59301.15   2046.46  60428.61   2894.04  58173.55   2894.22  333.644 8.0085  327.344 8.1631  6.299805       11.43559  
1 1 1 12  22  5  o 195.985 3.8036  20813.37   807.408  21804.10   1141.94  19822.96   1141.76  200.541 5.2574  191.203 5.5133  9.338364       7.618144  
1 1 1 12  22  6  o 365.329 6.7539  72427.48   2672.45  72841.11   4124.75  72128.23   3508.45  365.853 10.409  364.299 8.8917  1.554626       13.68998  
1 1 1 12  22  7  f 139.240 3.0484  10504.36   459.729  10100.58   650.365  10907.62   649.945  136.503 4.3989  141.857 4.2302  -5.353714      6.102843  
1 1 1 12  22  8  o 333.650 5.8247  60399.29   2104.91  60109.49   2977.49  60688.82   2976.08  332.536 8.2669  334.141 8.2233  -1.605194      11.66035  
1 1 1 12  22  9  o 252.703 4.6162  34627.11   1263.48  34758.13   1788.03  34496.44   1785.62  253.020 6.5245  252.064 6.5405  0.9558563      9.238343  
1 1 1 12  22  10 o 65.051  2.6539  2292.69    186.984  2536.17    273.632  2079.41    256.107  68.301  3.7128  61.816  3.8442  6.485298       5.344438  
1 1 1 12  22  11 o 327.391 5.7414  58185.43   2035.90  59744.11   2880.11  56628.74   2878.28  331.369 8.0247  322.573 8.2382  8.795898       11.50060  
1 1 1 12  22  12 o 103.869 2.7916  5846.24    314.062  6035.33    446.092  5660.41    442.234  105.504 3.9038  102.171 3.9963  3.332481       5.586556  
1 1 1 12  22  13 o 58.408  2.7408  1848.68    173.386  2043.44    256.402  1684.57    235.358  61.265  3.8841  55.597  3.9339  5.667385       5.528260  
1 1 1 12  22  14 o 93.065  2.7649  4693.85    278.702  5143.26    398.855  4265.06    389.597  97.388  3.7813  88.676  4.0564  8.712280       5.545466  
1 1 1 12  22  15 o 190.887 3.7834  19763.17   782.214  20100.05   1107.13  19427.41   1105.31  192.363 5.3138  189.109 5.3964  3.255005       7.573469  
1 1 1 12  22  16 o 165.528 4.0159  14867.48   719.992  15400.10   881.605  13800.79   1247.63  168.393 4.8337  159.129 7.2388  9.263962       8.704305  
1 1 1 12  22  17 o 56.205  3.7669  1722.03    227.987  1086.68    393.554  2042.95    279.700  43.817  8.5997  61.192  4.2464  -17.37531      9.590988  
1 1 1 12  22  18 o 70.802  2.9977  2719.30    229.878  2828.14    320.639  2604.18    329.745  72.033  4.1269  69.078  4.4307  2.955917       6.054915  
1 1 1 12  22  19 o 96.445  2.9857  5048.63    311.890  5886.72    440.399  4205.34    441.762  104.061 3.9074  87.760  4.6643  16.30067       6.084673  
1 1 1 12  22  20 o 119.390 3.0788  7743.72    398.126  8280.93    557.290  7183.76    568.963  123.299 4.1730  114.773 4.5769  8.525658       6.193755  
1 1 1 12  22  21 o 151.018 3.3357  12411.69   545.611  12861.10   769.997  11958.50   773.233  153.378 4.6351  147.838 4.8290  5.539505       6.693481  
1 1 1 12  22  22 o 72.230  2.5650  2835.57    200.665  3206.12    330.755  2619.74    252.428  76.506  4.0055  69.338  3.3612  7.168198       5.228898  
1 1 1 12  22  23 o 121.726 3.1371  8076.79    413.605  8313.77    579.382  7830.53    590.632  123.132 4.3443  119.423 4.5662  3.709572       6.302675  
1 1 1 12  22  24 o 16.237  6.5156  76.088     174.720  165.108    232.041  -40.4622   265.509  20.021  7.6616  17.133  7.5020  2.888880       10.72286  
1 1 1 12  22  25 o 75.700  3.5070  3140.81    287.544  3191.66    385.848  3077.30    431.222  75.807  4.7228  74.145  5.4069  1.661804       7.179115  
1 1 1 12  22  26 o 32.759  7.3665  640.249    255.031  710.031    336.265  545.758    391.293  33.984  8.9950  30.208  10.138  3.776009       13.55305  
1 1 1 12  22  27 o 48.867  6.0872  1378.83    315.200  1335.31    448.446  1421.32    443.122  46.303  9.2653  48.083  8.8342  -1.779808      12.80194  
1 1 1 12  22  28 o 44.749  4.9051  1142.45    233.840  1280.28    317.709  979.524    345.425  46.572  6.4735  39.599  8.3184  6.973515       10.54049  
1 1 1 12  22  29 o 27.289  7.6290  479.418    234.264  526.025    332.757  433.619    329.860  27.918  9.3489  25.882  9.2724  2.035788       13.16738  
1 1 1 12  22  30 o 21.667  7.8017  292.320    233.801  543.437    312.868  -25.2593   351.843  27.706  9.0568  18.233  8.2622  9.473545       12.25925  
1 1 1 12  22  31 o 17.566  7.5231  96.660     255.303  -103.7311  325.448  417.289    411.665  16.476  7.6408  24.447  9.9335  -7.971001      12.53226  
1 1 1 12  22  32 o 18.087  8.3920  -33.5187   393.286  33.248     491.714  -152.0717  655.225  20.022  9.3215  20.488  9.8800  -0.4658318     13.58329  
1 1 1 12  22  33 o 20.434  8.8134  237.710    355.084  226.594    423.503  264.022    651.544  20.852  9.2865  22.560  10.577  -1.707813      14.07504  
1 1 1 12  23  0  o 315.957 5.8647  54121.25   2006.98  53422.30   2377.18  55855.88   3744.93  313.838 6.9934  320.565 10.786  -6.727478      12.85469  
1 1 1 12  23  1  o 196.660 4.1131  20956.20   876.097  21522.28   1029.57  19470.59   1667.91  199.280 4.7700  189.411 8.1301  9.869431       9.426133  
1 1 1 12  23  2  o 193.913 3.4476  20371.76   724.093  19340.65   962.128  21718.67   1099.64  188.909 4.7023  200.174 5.0719  -11.26482      6.916347  
1 1 1 12  23  3  o 468.057 7.5146  118882.50  3809.56  116833.80  5387.45  120931.30  5387.62  463.519 10.731  471.610 10.547  -8.090881      15.04673  
1 1 1 12  23  4  o 78.174  2.6395  3310.38    223.489  2995.19    313.960  3634.14    318.204  74.243  3.9182  81.898  3.5873  -7.654366      5.312321  
1 1 1 12  23  5  o 413.925 7.0585  92982.62   3164.48  89849.55   4475.04  96116.30   4475.48  406.431 10.166  420.426 9.8283  -13.99481      14.13996  
1 1 1 12  23  6  o 382.230 6.4748  79276.32   2680.51  81381.95   3791.15  77171.41   3790.49  386.912 9.0467  376.731 9.2895  10.18118       12.96680  
1 1 1 12  23  7  o 84.062  2.6594  3828.25    242.136  3976.24    343.181  3681.54    341.688  85.657  3.6991  82.420  3.8276  3.237427       5.322937  
1 1 1 12  23  8  o 306.037 5.3644  50802.78   1778.14  52550.30   2515.11  49056.50   2514.22  311.022 7.4662  300.471 7.7256  10.54999       10.74374  
1 1 1 12  23  9  f 199.291 3.7990  21527.71   820.016  22065.37   1161.47  20993.35   1157.89  201.679 5.3171  196.711 5.4346  4.967743       7.603095  
1 1 1 12  23  10 o 36.231  3.1622  716.804    122.849  806.270    179.589  638.122    168.418  38.308  4.4088  33.980  4.7021  4.327843       6.445693  
1 1 1 12  23  11 o 246.342 4.4974  32913.14   1199.98  33531.46   1698.32  32296.69   1695.74  248.465 6.3108  243.835 6.4209  4.630310       9.002976  
1 1 1 12  23  12 o 159.873 3.3711  13854.32   583.733  14080.68   827.136  13629.71   823.920  161.102 4.7403  158.497 4.7995  2.604477       6.745760  
1 1 1 12  23  13 o 149.136 3.2788  12056.25   529.629  13058.88   726.865  10921.41   773.309  155.160 4.3252  141.854 5.0332  13.30612       6.636268  
1 1 1 12  23  14 o 196.829 4.0161  21012.95   856.166  21980.66   1146.69  19793.85   1287.04  201.199 5.2620  190.827 6.2270  10.37164       8.152567  
1 1 1 12  23  15 f 113.237 2.9108  6950.59    357.003  7230.94    507.980  6676.98    501.832  115.448 4.0625  110.932 4.1767  4.515968       5.826530  
1 1 1 12  23  16 o 158.364 3.9349  13607.87   674.933  14382.10   825.654  12048.48   1171.77  162.742 4.6841  148.669 7.2770  14.07291       8.654203  
1 1 1 12  23  17 o 193.041 4.4051  20240.23   921.032  18803.24   1596.53  20957.03   1127.59  185.449 7.9484  196.300 5.3035  -10.85092      9.555344  
1 1 1 12  23  18 o 203.699 4.1164  22544.73   908.195  22881.99   1214.49  22116.87   1367.91  204.960 5.4709  201.322 6.2733  3.638657       8.323750  
1 1 1 12  23  19 o 71.999  2.5269  2811.97    197.049  2912.39    325.929  2754.11    247.380  73.056  4.1360  71.218  3.2070  1.838051       5.233696  
1 1 1 12  23  20 o 131.555 3.1579  9404.86    449.966  9732.17    634.827  9074.39    637.880  133.611 4.3868  128.981 4.5661  4.629913       6.331883  
1 1 1 12  23  21 o 92.671  2.9662  4669.33    297.725  4934.14    413.093  4383.09    429.477  95.106  4.0102  89.567  4.4271  5.538841       5.973391  
1 1 1 12  23  22 o 82.382  2.7102  3690.39    241.823  4322.60    392.312  3302.99    307.103  88.933  4.0729  77.811  3.6440  11.12221       5.465036  
1 1 1 12  23  23 o 59.337  3.5535  1929.80    227.329  2003.04    310.335  1845.00    333.945  60.165  4.8023  57.558  5.4206  2.607250       7.241864  
1 1 1 12  23  24 o 75.471  3.2219  3110.67    263.368  3301.42    363.226  2899.21    382.433  77.367  4.3523  72.303  4.9126  5.063515       6.563245  
1 1 1 12  23  25 o 40.337  1.2498  882.536    54.604   215.550    299.187  905.518    55.537   22.474  8.6743  40.859  1.2549  -18.38510      8.764584  
1 1 1 12  23  26 o 33.132  7.3024  654.225    254.989  865.092    336.859  371.269    390.214  37.732  8.4524  26.731  10.001  11.00125       13.09432  
1 1 1 12  23  27 o 29.343  7.8794  525.504    255.707  514.124    335.290  541.323    395.330  28.974  9.3695  29.776  10.189  -0.8024826     13.84209  
1 1 1 12  23  28 o 44.224  1.0687  1061.35    51.188   268.665    284.298  1087.90    52.038   22.645  8.5238  44.773  1.0731  -22.12823      8.591064  
1 1 1 12  23  29 o 24.310  7.5189  376.275    218.130  244.702    294.027  537.330    325.305  21.644  8.5278  28.118  9.2371  -6.473719      12.57174  
1 1 1 12  23  30 o 25.688  7.7986  441.565    236.020  354.476    314.292  554.192    357.415  23.515  8.9360  27.635  9.6758  -4.120371      13.17094  
1 1 1 12  23  31 o 25.314  8.2861  452.742    261.857  724.118    333.351  15.462     423.151  31.063  9.2319  19.502  8.9232  11.56117       12.83947  
1 1 1 12  23  32 o 13.493  6.6210  -448.8058  331.647  -683.9278  387.051  200.674    643.286  13.472  6.7068  22.545  10.551  -9.072852      12.50182  
1 1 1 12  24  0  o 311.872 5.6342  52728.84   1903.19  53159.84   2196.04  51428.36   3814.61  313.092 6.4759  307.500 11.453  5.592163       13.15741  
1 1 1 12  24  1  f 361.106 6.0951  70705.87   2383.90  70721.63   2751.18  70658.39   4775.63  361.071 7.0349  360.301 12.238  0.7706299      14.11551  
1 1 1 12  24  2  o 242.275 4.3773  31809.15   1148.65  32732.92   1324.50  29006.63   2306.99  245.744 4.9762  231.088 9.2172  14.65540       10.47468  
1 1 1 12  24  3  o 311.296 7.7263  52596.97   2605.06  54763.03   3684.26  50431.29   3683.95  317.313 10.720  304.449 11.172  12.86453       15.48320  
1 1 1 12  24  4  o 512.959 9.8853  143061.30  5492.17  134347.70  6724.38  160521.70  9518.77  496.505 12.504  541.555 16.228  -45.04941      20.48678  
1 1 1 12  24  5  o 211.518 4.0657  24246.52   931.435  23744.74   1316.84  24748.91   1317.65  209.238 5.8106  213.623 5.6949  -4.384827      8.136033  
1 1 1 12  24  6  o 198.202 3.8734  21289.92   831.511  20777.65   1175.82  21802.38   1176.04  195.729 5.5465  200.504 5.4154  -4.775436      7.751775  
1 1 1 12  24  7  o 132.446 3.0640  9504.55    439.542  10143.92   621.879  8866.30    621.334  136.798 4.1972  127.885 4.4857  8.913071       6.143127  
1 1 1 12  24  8  o 134.540 3.1671  9808.25    461.511  9868.34    654.653  9748.88    650.715  134.913 4.4801  134.094 4.4804  0.8190460      6.336009  
1 1 1 12  24  9  o 140.822 3.0662  10745.82   467.676  11448.49   664.448  10055.92   658.381  145.315 4.2216  136.182 4.4636  9.133362       6.143785  
1 1 1 12  24  10 o 225.447 4.2205  27558.90   1030.56  27967.47   1459.14  27152.24   1455.73  226.975 5.9354  223.636 6.0099  3.339386       8.446761  
1 1 1 12  24  11 o 294.182 5.2253  46963.93   1664.94  47309.92   2355.61  46618.54   2353.54  294.965 7.3733  292.794 7.4215  2.171051       10.46156  
1 1 1 12  24  12 o 46.852  2.9908  1194.46    150.978  1327.36    218.957  1074.00    208.460  49.300  4.1388  44.280  4.4050  5.020302       6.044305  
1 1 1 12  24  13 o 268.467 4.7863  39110.80   1391.76  40830.77   1969.76  37396.13   1966.72  274.052 6.6361  262.227 6.9246  11.82468       9.591013  
1 1 1 12  24  14 o 60.224  2.9263  1965.83    190.880  2078.75    281.775  1870.07    259.489  61.757  4.2382  58.572  4.1165  3.185249       5.908316  
1 1 1 12  24  15 o 124.929 3.0213  8460.77    408.809  9235.76    572.979  7657.20    583.449  130.472 4.0546  118.772 4.5354  11.69952       6.083601  
1 1 1 12  24  16 o 223.001 4.1970  26991.54   1013.71  26254.05   1432.19  27731.97   1435.03  219.672 6.0194  225.797 5.8678  -6.124252      8.406193  
1 1 1 12  24  17 o 282.065 6.3437  43357.43   1938.03  42010.19   3056.46  44263.30   2506.28  276.276 10.214  284.424 8.1357  -8.147766      13.05833  
1 1 1 12  24  18 o 63.990  3.1129  2221.84    215.753  2561.34    307.837  1894.06    302.474  68.528  4.1673  58.812  4.7901  9.715969       6.349114  
1 1 1 12  24  19 o 232.965 4.3808  29543.11   1105.40  29498.75   1565.64  29587.21   1560.91  232.183 6.2257  232.542 6.1974  -0.3587952     8.784479  
1 1 1 12  24  20 f 38.674  1.7681  810.885    74.062   642.307    243.909  828.007    77.732   33.554  6.9404  39.078  1.8365  -5.523819      7.179249  
1 1 1 12  24  21 o 118.884 3.0482  7687.02    392.503  8551.43    553.739  6814.16    556.436  125.177 4.0842  111.625 4.6024  13.55192       6.153277  
1 1 1 12  24  22 o 75.783  3.1052  3127.02    254.875  3353.26    374.509  2931.82    347.859  78.134  4.4438  73.049  4.4174  5.084831       6.265806  
1 1 1 12  24  23 o 80.885  3.2318  3568.74    283.129  3879.35    383.586  3196.99    419.649  84.013  4.2290  75.978  5.1296  8.035706       6.648057  
1 1 1 12  24  24 o 85.337  2.7246  3968.08    251.837  3999.23    398.830  3947.43    324.773  85.168  4.3379  84.939  3.5302  0.2290573      5.592846  
1 1 1 12  24  25 o 70.979  3.4431  2761.07    264.699  3113.45    372.185  2400.41    376.535  74.889  4.6109  65.433  5.3600  9.456116       7.070353  
1 1 1 12  24  26 f 31.431  6.3699  579.393    209.425  569.053    281.211  592.268    313.806  30.610  8.2814  31.109  8.8767  -0.4990253     12.13993  
1 1 1 12  24  27 o 12.749  6.0418  -240.5044  223.177  -290.0602  288.606  -166.7920  351.988  14.577  6.8974  17.784  8.1376  -3.206833      10.66744  
1 1 1 12  24  28 o 58.411  5.1790  1953.14    324.252  2349.32    435.968  1462.69    485.075  63.190  6.4608  47.350  9.7820  15.83987       11.72305  
1 1 1 12  24  29 o 42.855  2.0797  1006.27    96.531   878.666    331.400  1018.09    100.907  36.269  8.5718  43.031  2.1720  -6.762131      8.842710  
1 1 1 12  24  30 o 15.554  7.0003  -36.3159   247.605  -7.7998    312.264  -84.6102   406.373  17.564  7.8868  18.671  8.6162  -1.107035      11.68080  
1 1 1 12  24  31 o 20.570  8.3262  240.428    287.994  663.274    400.052  -214.4497  414.927  28.647  10.217  17.277  8.2025  11.36926       13.10210  
1 1 1 12  24  32 o 24.524  10.074  482.354    429.153  820.601    505.965  -384.9379  810.189  29.097  11.266  20.676  10.186  8.420877       15.18832  
1 1 1 12  25  0  o 357.871 6.1021  69446.29   2365.25  70020.95   2729.68  67714.90   4738.13  359.275 7.0148  352.676 12.404  6.598969       14.25013  
1 1 1 12  25  1  o 354.501 6.9270  68173.05   2659.71  67409.95   2849.60  73333.06   7409.96  352.464 7.4645  365.244 18.795  -12.78040      20.22281  
1 1 1 12  25  2  o 541.888 12.818  159989.09  7523.30  157327.20  10639.60 162651.00  10639.50 535.670 18.338  544.769 18.032  -9.098755      25.71840  
1 1 1 12  25  3  o 438.892 10.493  104768.10  4987.81  99596.59   7053.29  109941.20  7054.36  426.900 15.254  448.715 14.515  -21.81470      21.05665  
1 1 1 12  25  4  o 207.357 6.5332  23327.06   1467.28  25093.86   2460.82  22352.41   1827.72  214.753 10.580  202.866 8.3182  11.88757       13.45812  
1 1 1 12  25  5  o 240.797 5.0112  31437.14   1306.97  33356.67   2272.17  30487.98   1597.76  247.775 8.4667  237.060 6.2227  10.71484       10.50748  
1 1 1 12  25  6  o 82.125  2.4552  3653.57    218.387  3633.66    290.137  3679.60    331.712  81.891  3.2711  82.400  3.7167  -0.5096130     4.951200  
1 1 1 12  25  7  o 574.963 9.5218  179905.41  5929.68  175090.50  8385.77  184720.41  8385.88  565.749 13.685  581.252 13.320  -15.50299      19.09748  
1 1 1 12  25  8  o 407.689 6.9323  90264.10   3061.10  92145.68   4329.90  88384.02   4328.19  411.360 9.7182  402.830 9.9201  8.530396       13.88708  
1 1 1 12  25  9  o 235.851 4.3542  30161.08   1112.28  30739.16   1574.34  29584.96   1571.67  237.960 6.1084  233.440 6.2161  4.520203       8.715028  
1 1 1 12  25  10 o 122.877 2.8479  8181.39    379.021  9373.70    540.320  7026.32    531.815  131.497 3.7937  113.831 4.3135  17.66615       5.744432  
1 1 1 12  25  11 o 241.874 4.4413  31730.03   1163.52  33219.41   1648.11  30250.15   1642.84  247.316 6.1527  235.973 6.4278  11.34258       8.897871  
1 1 1 12  25  12 o 326.861 5.6836  58011.86   2012.14  58838.18   2846.70  57186.82   2844.50  328.755 7.9947  324.085 8.1036  4.669495       11.38343  
1 1 1 12  25  13 o 98.837  2.7702  5293.91    296.555  6032.97    423.728  4584.35    415.186  105.482 3.7088  91.935  4.1696  13.54681       5.580375  
1 1 1 12  25  14 o 136.581 3.1317  10112.10   463.282  10384.37   656.798  9842.50    653.574  138.343 4.3833  134.679 4.4805  3.663544       6.268046  
1 1 1 12  25  15 o 114.960 2.9653  7164.20    369.223  7186.73    524.875  7142.14    519.486  115.082 4.2109  114.726 4.1806  0.3559265      5.933764  
1 1 1 12  25  16 o 171.865 3.6828  16024.84   685.541  16433.36   926.245  15529.97   1019.45  173.920 4.9171  168.996 5.5695  4.924164       7.429468  
1 1 1 12  25  17 o 225.785 4.9356  27716.35   1206.99  25629.11   2092.59  28756.94   1477.54  216.152 8.9383  229.783 5.9368  -13.63037      10.73026  
1 1 1 12  25  18 o 155.396 3.3728  13108.32   567.668  13389.00   801.326  12825.57   804.291  156.873 4.7162  153.519 4.8371  3.354614       6.755699  
1 1 1 12  25  19 o 52.360  3.3140  1495.16    186.975  1513.25    257.975  1475.15    271.379  52.511  4.5817  51.793  4.8957  0.7187462      6.705252  
1 1 1 12  25  20 o 81.709  2.9486  3627.28    260.950  3745.81    372.494  3513.05    365.679  82.798  4.1670  80.167  4.2264  2.631027       5.935147  
1 1 1 12  25  21 o 100.592 2.8232  5500.63    307.591  6003.37    453.920  5073.78    418.264  104.891 3.9955  96.427  4.0048  8.463959       5.657087  
1 1 1 12  25  22 o 57.404  3.3449  1801.94    207.068  2156.92    298.949  1474.56    287.087  62.606  4.4375  51.530  5.2156  11.07589       6.847876  
1 1 1 12  25  23 o 96.345  2.8553  5055.99    297.951  5177.68    448.111  4959.56    398.901  97.155  4.2584  95.192  3.8689  1.962685       5.753519  
1 1 1 12  25  24 o 49.566  3.9881  1356.60    212.292  1567.93    286.587  1099.64    316.018  53.017  5.0519  43.727  6.9015  9.289997       8.552984  
1 1 1 12  25  25 o 74.320  3.4012  3027.00    273.784  3205.30    383.686  2842.05    390.788  75.941  4.6877  71.326  5.0920  4.614143       6.921175  
1 1 1 12  25  26 o 86.568  3.3813  4116.67    317.036  4294.27    444.470  3932.72    452.347  87.728  4.6948  83.773  5.0083  3.954987       6.864696  
1 1 1 12  25  27 o 37.350  5.9710  811.268    233.416  713.362    284.310  1013.71    408.826  34.195  7.8433  39.984  9.5681  -5.788860      12.37202  
1 1 1 12  25  28 o 39.548  6.6380  937.174    274.261  965.696    326.500  868.813    505.476  39.394  7.9266  35.175  11.512  4.219635       13.97739  
1 1 1 12  25  29 f 24.937  7.1522  397.497    203.211  323.049    257.947  519.289    329.925  22.859  8.1985  27.511  9.3086  -4.651800      12.40424  
1 1 1 12  25  30 o ?       ?       -166.2910  38.808   12.798     353.407  -168.4769  39.044   18.655  8.3827  ?       ?       0.000000       8.382670  
1 1 1 12  25  31 o 15.893  7.2803  -59.6171   282.842  96.565     383.129  -246.6929  419.313  19.684  8.7946  17.079  8.1472  2.604921       11.98839  
1 1 1 12  25  32 o 13.673  6.6824  -401.8122  327.558  -660.1790  380.975  330.622    641.450  13.425  6.6787  23.366  10.798  -9.941051      12.69638  
1 1 1 12  26  0  o 159.515 3.3557  13785.47   579.775  13846.84   675.138  13613.10   1131.51  159.859 3.8993  158.423 6.5943  1.435852       7.660894  
1 1 1 12  26  1  o 175.965 3.9559  16778.10   753.941  17150.50   919.954  16016.35   1315.73  177.883 4.7749  171.814 7.0703  6.068802       8.531619  
1 1 1 12  26  2  o 65.803  4.0453  2355.26    286.914  2036.33    404.696  2677.56    406.828  60.959  6.2164  70.068  5.4024  -9.108524      8.235877  
1 1 1 12  26  3  f 430.944 10.330  101013.80  4821.37  98248.98   6818.19  103779.10  6818.71  424.021 14.846  435.896 14.443  -11.87479      20.71226  
1 1 1 12  26  4  o 513.114 14.120  143834.70  7847.44  133086.59  14407.02 148368.80  9357.41  487.039 27.423  520.273 16.606  -33.23349      32.05857  
1 1 1 12  26  5  o 420.276 10.099  96120.88   4597.17  97039.50   6502.05  95202.64   6500.71  421.271 14.250  417.227 14.385  4.044342       20.24853  
1 1 1 12  26  6  o 140.411 3.0046  10681.77   456.934  11004.21   646.115  10359.16   646.290  142.483 4.1867  138.240 4.3164  4.243057       6.013342  
1 1 1 12  26  7  f 188.667 3.9411  19293.22   805.353  19579.55   1209.58  19065.21   1079.39  189.962 5.8789  187.483 5.3155  2.479034       7.925692  
1 1 1 12  26  8  o 216.461 4.1668  25400.89   976.912  26095.65   1382.94  24708.89   1380.18  219.293 5.8225  213.375 5.9720  5.917572       8.340678  
1 1 1 12  26  9  f 208.339 4.2238  23533.86   953.120  24030.32   1441.86  23148.56   1270.23  210.371 6.3280  206.528 5.6785  3.842621       8.502275  
1 1 1 12  26  10 o 168.385 3.5234  15368.56   642.588  15308.78   910.940  15427.77   906.588  167.982 5.0068  168.636 4.9635  -0.6541901     7.050123  
1 1 1 12  26  11 o 184.507 3.7343  18455.80   746.260  17730.18   1056.28  19178.92   1054.46  180.738 5.3958  187.994 5.1787  -7.255707      7.478893  
1 1 1 12  26  12 o 250.105 4.5928  33934.93   1244.15  34736.08   1761.60  33137.61   1757.38  252.826 6.4330  246.922 6.5711  5.904099       9.195794  
1 1 1 12  26  13 o 157.165 3.4032  13390.72   579.310  14325.79   790.752  12307.46   851.110  162.497 4.4929  150.568 5.2190  11.92896       6.886467  
1 1 1 12  26  14 o 189.328 3.8557  19441.21   790.646  20580.67   1062.21  18025.56   1183.96  194.693 5.0372  182.109 6.0025  12.58435       7.836058  
1 1 1 12  26  15 o 123.292 2.9886  8240.58    399.099  8885.16    565.303  7600.05    563.522  127.966 4.0786  118.332 4.3968  9.633873       5.997262  
1 1 1 12  26  16 o 250.976 4.6100  34210.79   1253.16  34491.88   1771.77  33929.41   1772.70  251.646 6.5005  249.573 6.5579  2.072968       9.233802  
1 1 1 12  26  17 o 320.162 6.4623  55899.20   2240.93  59080.96   2744.88  49540.02   3880.52  328.664 7.7108  298.879 11.987  29.78552       14.25322  
1 1 1 12  26  18 o 56.166  3.2053  1717.76    194.183  1405.44    268.670  2059.33    280.977  50.568  4.9696  61.400  4.2512  -10.83193      6.539875  
1 1 1 12  26  19 o 170.661 3.5480  15829.89   655.832  16517.07   925.976  15138.21   929.004  174.037 4.9123  166.558 5.1497  7.479584       7.116912  
1 1 1 12  26  20 o 11.833  5.2422  -44.6171   133.218  -46.4183   180.671  -42.4709   197.211  14.005  6.1590  14.767  6.4659  -0.7622633     8.929761  
1 1 1 12  26  21 o 12.848  5.5227  -8.6915    138.496  -119.9990  190.885  115.034    201.251  13.202  6.0225  18.157  7.0845  -4.954599      9.298406  
1 1 1 12  26  22 o 14.943  6.1711  38.652     162.159  346.865    214.399  -373.3563  247.884  24.746  7.4150  12.608  6.0792  12.13793       9.588454  
1 1 1 12  26  23 o 45.586  4.1513  1148.47    202.721  1249.31    274.785  1028.06    300.291  47.225  5.4736  42.399  6.7665  4.826191       8.703239  
1 1 1 12  26  24 o 34.497  5.3066  674.057    191.922  784.187    255.960  532.624    290.065  36.855  6.6571  30.005  8.5248  6.850121       10.81617  
1 1 1 12  26  25 o 76.912  3.4253  3243.27    285.340  3418.35    388.069  3037.20    421.004  78.456  4.5868  73.623  5.3154  4.833008       7.020795  
1 1 1 12  26  26 o 52.548  4.2201  1538.51    238.159  1421.25    314.831  1695.38    364.139  49.809  5.9538  54.279  6.3117  -4.470226      8.676698  
1 1 1 12  26  27 o 20.906  7.3274  236.765    205.000  183.690    273.119  305.248    310.244  20.918  8.2263  24.073  8.9349  -3.155144      12.14518  
1 1 1 12  26  28 o 16.481  6.9969  43.940     217.384  195.352    264.312  -272.5868  382.157  20.639  8.1001  17.216  8.0805  3.423019       11.44145  
1 1 1 12  26  29 f 22.970  8.7922  314.408    305.623  419.510    404.414  174.454    466.674  25.573  10.025  22.753  9.9548  2.820660       14.12783  
1 1 1 12  26  30 o 19.116  7.7563  172.975    250.574  248.874    314.683  41.472     414.213  21.435  8.6939  20.041  9.0336  1.394348       12.53755  
1 1 1 12  26  31 o 23.386  9.6052  366.884    390.129  583.724    485.941  -26.3003   654.352  26.687  10.811  21.802  10.336  4.885323       14.95692  
1 1 1 12  26  32 o 18.012  8.3435  -20.6111   386.407  -48.5367   480.642  30.421     649.740  19.112  8.9996  21.350  10.172  -2.237253      13.58198  
1 1 1 12  27  0  o 370.382 6.3743  74406.16   2557.13  74588.61   2951.15  73856.46   5122.44  370.742 7.3493  368.145 12.847  2.596649       14.80025  
1 1 1 12  27  1  o 476.029 11.256  123323.80  5803.64  110516.80  8206.38  136138.30  8208.80  449.263 16.865  499.146 15.184  -49.88339      22.69294  
1 1 1 12  27  2  o 375.199 9.0293  76488.89   3669.32  67208.29   5187.89  85778.86   5190.50  350.958 13.648  396.815 12.077  -45.85672      18.22397  
1 1 1 12  27  3  o 367.800 8.9391  73510.66   3561.02  70885.70   5035.55  76136.64   5036.54  360.508 12.896  373.714 12.443  -13.20541      17.92033  
1 1 1 12  27  4  o 538.109 12.712  157976.30  7409.00  144931.91  10477.27 171023.91  10478.53 513.152 18.851  558.125 17.334  -44.97339      25.60907  
1 1 1 12  27  5  o 355.388 8.6819  68652.79   3341.86  67367.08   4726.37  69938.22   4725.84  351.363 12.419  358.056 12.186  -6.692688      17.39939  
1 1 1 12  27  6  o 267.453 5.9115  38809.20   1712.43  30965.24   2969.34  42718.03   2096.11  238.289 11.505  280.504 6.8993  -42.21582      13.41510  
1 1 1 12  27  7  o 198.779 3.7250  21415.26   801.994  21896.66   1134.61  20934.57   1133.77  200.925 5.2137  196.455 5.3283  4.470383       7.454762  
1 1 1 12  27  8  f 268.048 4.9569  38969.45   1439.12  38810.92   2035.76  39127.82   2034.68  267.298 7.0317  268.391 6.9994  -1.092773      9.921483  
1 1 1 12  27  9  o 391.835 6.6532  83394.54   2823.61  85639.35   3994.22  81152.02   3992.17  396.512 9.3005  385.923 9.5508  10.58887       13.33103  
1 1 1 12  27  10 o 381.049 6.5392  78877.87   2698.83  80977.80   3817.79  76780.28   3815.66  385.515 9.1433  375.329 9.3861  10.18588       13.10338  
1 1 1 12  27  11 o 361.219 6.6812  70907.88   2613.94  71493.82   3432.68  70099.20   4032.74  362.258 8.7487  358.270 10.392  3.988556       13.58471  
1 1 1 12  27  12 o 90.489  2.7162  4437.16    266.214  5133.44    383.924  3792.36    369.460  97.306  3.6428  83.624  4.0791  13.68251       5.468929  
1 1 1 12  27  13 o 199.142 3.7998  21505.19   819.586  22869.01   1161.60  20153.19   1156.55  205.239 5.2255  192.637 5.5431  12.60182       7.617898  
1 1 1 12  27  14 o 391.546 6.6872  83409.72   2835.93  86743.34   4011.80  80080.08   4009.41  398.437 9.2963  382.687 9.6731  15.74951       13.41604  
1 1 1 12  27  15 o 199.189 4.0111  21527.38   865.362  22851.60   1158.92  19858.59   1300.98  205.091 5.2172  191.052 6.2871  14.03943       8.169844  
1 1 1 12  27  16 o 156.740 3.4052  13326.19   578.081  13501.48   817.244  13150.67   817.816  157.642 4.7864  155.574 4.8534  2.068527       6.816563  
1 1 1 12  27  17 o 202.402 4.8632  22276.87   1066.13  22702.31   1207.87  20776.54   2268.24  204.216 5.4608  193.605 10.861  10.61105       12.15633  
1 1 1 12  27  18 o 184.389 3.7669  18471.98   752.302  19296.56   1012.92  17457.57   1123.48  188.235 4.9683  178.859 5.7994  9.375610       7.636553  
1 1 1 12  27  19 o 75.663  2.5720  3106.46    210.773  3427.56    343.088  2911.80    267.127  79.264  4.0093  73.202  3.3692  6.062706       5.237002  
1 1 1 12  27  20 o 78.004  2.9207  3306.33    246.757  3474.99    348.332  3136.43    349.606  79.744  4.0463  75.708  4.2811  4.035995       5.890648  
1 1 1 12  27  21 o 132.616 3.1438  9571.31    451.568  10443.23   640.791  8711.14    636.459  138.235 4.2798  126.146 4.6583  12.08868       6.325863  
1 1 1 12  27  22 o 98.888  2.9550  5323.55    316.500  5542.37    481.383  5156.93    420.055  100.577 4.4190  97.120  3.9933  3.457092       5.955975  
1 1 1 12  27  23 o 136.374 3.2509  10149.92   480.179  10718.94   676.723  9572.92    681.453  139.665 4.4736  131.857 4.7716  7.808578       6.540710  
1 1 1 12  27  24 o 137.046 3.2455  10265.21   481.747  10560.60   674.628  9957.86    688.161  138.421 4.4998  134.289 4.7313  4.131836       6.529415  
1 1 1 12  27  25 o 77.911  2.7616  3314.37    233.039  3646.20    384.567  3121.80    292.954  81.101  4.3944  75.403  3.5871  5.698677       5.672534  
1 1 1 12  27  26 o 20.064  6.8147  219.383    176.830  42.907     251.166  392.824    248.997  17.797  7.5362  25.761  8.0442  -7.964582      11.02287  
1 1 1 12  27  27 o 14.080  6.1905  -28.8283   182.422  -55.1668   249.197  1.5827     267.771  16.038  7.1344  17.485  7.5973  -1.446732      10.42197  
1 1 1 12  27  28 o 27.753  1.9689  422.544    58.800   523.648    287.359  418.126    60.071   28.547  8.5913  27.597  2.0238  0.9504242      8.826480  
1 1 1 12  27  29 o 16.105  7.5263  -181.9866  325.404  167.938    466.126  -514.6404  454.477  22.622  9.9219  16.580  8.0509  6.041538       12.77738  
1 1 1 12  27  30 o 24.354  8.2038  400.498    256.247  140.856    322.923  841.985    421.086  19.760  8.4616  32.776  10.490  -13.01627      13.47713  
1 1 1 12  27  31 o 29.345  9.6184  675.002    352.789  748.614    418.129  493.121    657.247  29.910  10.466  25.676  11.492  4.234047       15.54327  
1 1 1 12  27  32 o 18.969  8.3775  129.235    337.649  162.826    393.588  35.612     657.081  20.072  8.9447  21.451  10.223  -1.379389      13.58390  
1 1 1 12  28  0  o 467.694 8.2295  118777.20  4168.76  123129.90  4812.46  105692.50  8343.86  476.003 9.3344  439.095 17.544  36.90863       19.87303  
1 1 1 12  28  1  o 349.505 8.5396  66349.63   3232.66  68309.94   4572.33  64390.46   4571.02  354.132 11.921  343.762 12.277  10.36987       17.11206  
1 1 1 12  28  2  o 159.212 4.7558  13740.74   820.102  13121.99   1159.38  14360.38   1160.22  155.505 6.8836  162.691 6.5842  -7.186401      9.525537  
1 1 1 12  28  3  o 407.113 9.7095  90136.89   4281.36  78599.03   6053.16  101686.90  6056.36  379.124 14.741  431.702 12.953  -52.57773      19.62323  
1 1 1 12  28  4  o 336.458 8.2710  61506.23   3014.13  61552.61   4262.85  61459.87   4262.39  336.035 11.712  335.780 11.720  0.2546692      16.56921  
1 1 1 12  28  5  o 416.061 9.9839  94222.80   4499.11  85534.31   6362.10  102914.60  6363.30  395.201 14.863  433.909 13.540  -38.70746      20.10576  
1 1 1 12  28  6  o 330.399 9.3926  59400.27   3361.20  56285.68   5998.36  60825.87   4058.17  319.326 17.409  334.002 11.218  -14.67578      20.71011  
1 1 1 12  28  7  o 219.300 4.6739  26077.67   1110.16  25484.10   1931.29  26370.59   1356.71  216.502 8.2360  220.462 5.6818  -3.959793      10.00567  
1 1 1 12  28  8  o 205.416 4.0022  22874.40   890.444  22789.58   1260.28  22958.96   1258.28  204.929 5.6780  205.692 5.6479  -0.7623901     8.008650  
1 1 1 12  28  9  o 272.522 4.8984  40286.01   1445.86  42286.77   2046.43  38291.77   2043.09  278.999 6.7721  265.451 7.1061  13.54794       9.816249  
1 1 1 12  28  10 o 160.923 3.3219  14035.51   578.992  15095.22   824.110  13002.59   813.627  166.827 4.5609  154.817 4.8522  12.01033       6.659227  
1 1 1 12  28  11 o 184.433 3.6897  18441.12   737.057  18544.72   1044.34  18338.30   1040.38  184.851 5.2161  183.819 5.2256  1.032364       7.383400  
1 1 1 12  28  12 o 325.248 5.7525  57451.01   2026.48  57535.25   2867.18  57366.92   2864.58  325.025 8.1446  324.549 8.1491  0.4768372      11.52138  
1 1 1 12  28  13 f 293.539 5.2500  46783.58   1669.15  46782.37   2361.25  46784.79   2359.83  293.155 7.4366  293.163 7.4319  -0.8514404E-02 10.51364  
1 1 1 12  28  14 o 162.799 3.4339  14371.08   605.502  15221.72   857.383  13524.69   855.240  167.454 4.7273  157.821 5.0033  9.632782       6.883276  
1 1 1 12  28  15 o 83.685  2.8323  3796.20    256.715  4239.41    363.656  3355.94    362.446  88.401  3.7981  78.518  4.2780  9.882858       5.720743  
1 1 1 12  28  16 o 183.610 3.8384  18296.09   763.332  18710.26   1027.96  17786.98   1139.70  185.524 5.1157  180.788 5.8203  4.735580       7.748982  
1 1 1 12  28  17 o 38.363  4.8248  812.829    196.038  707.568    236.324  1045.08    351.033  35.485  6.3835  43.045  7.8173  -7.559586      10.09251  
1 1 1 12  28  18 o 141.310 3.7326  10850.00   571.294  9291.75    990.497  11626.81   699.342  130.030 7.0594  146.184 4.4169  -16.15424      8.327361  
1 1 1 12  28  19 o 185.419 3.7257  18699.93   748.229  19328.23   1058.61  18072.69   1057.71  188.122 5.1955  181.857 5.3699  6.264984       7.471846  
1 1 1 12  28  20 o 131.739 3.1322  9436.82    446.918  10112.94   629.356  8749.06    634.754  136.141 4.2681  126.544 4.6312  9.596550       6.298019  
1 1 1 12  28  21 o 28.756  5.2090  467.520    156.264  620.446    220.866  314.246    221.117  32.966  6.4165  23.896  7.5964  9.070000       9.943715  
1 1 1 12  28  22 o 64.878  3.4638  2302.68    242.518  2157.25    328.519  2476.85    359.519  62.474  4.8942  66.940  4.9946  -4.466450      6.992802  
1 1 1 12  28  23 o 49.350  3.9244  1342.12    208.028  1398.48    282.641  1275.50    307.297  50.036  5.2959  47.518  6.1125  2.517597       8.087539  
1 1 1 12  28  24 o 47.664  3.9293  1255.47    201.045  1519.51    288.267  1005.41    280.532  52.110  5.1760  41.905  6.3824  10.20479       8.217439  
1 1 1 12  28  25 o 25.210  6.7742  373.911    188.927  537.773    254.389  172.367    282.125  29.982  7.7701  21.169  8.3493  8.813078       11.40553  
1 1 1 12  28  26 o 26.243  6.4116  407.858    180.690  407.777    230.563  407.987    290.895  26.117  7.6556  26.372  8.7384  -0.2544842     11.61757  
1 1 1 12  28  27 o 27.927  6.4925  466.302    192.661  281.225    249.417  740.098    303.364  22.645  8.0682  34.572  8.2216  -11.92694      11.51914  
1 1 1 12  28  28 o 47.319  5.6745  1311.12    285.022  1498.20    384.541  1083.03    424.592  49.391  7.4175  40.043  9.8562  9.347233       12.33549  
1 1 1 12  28  29 o 21.363  8.8485  211.255    334.799  47.375     478.556  368.358    468.557  21.455  9.6868  25.099  10.438  -3.644434      14.24012  
1 1 1 12  28  30 o 59.060  7.1363  2232.77    447.240  2635.19    582.138  1653.11    698.679  61.616  8.9874  41.275  13.536  20.34169       16.24813  
1 1 1 12  28  31 o 26.083  9.8744  532.400    382.846  579.651    474.050  443.784    649.198  26.535  10.703  25.150  11.325  1.384983       15.58247  
1 1 1 12  28  32 o 16.782  7.9066  -129.0456  371.928  -98.9290   453.420  -190.9857  650.254  18.380  8.6808  20.131  9.7406  -1.751610      13.04744  
1 1 1 12  29  0  o 267.020 4.9366  38651.77   1427.71  38203.05   1539.71  41403.94   3813.19  265.442 5.3555  275.566 12.776  -10.12427      13.85300  
1 1 1 12  29  1  o 203.962 6.3521  22567.70   1403.26  23279.61   2343.71  22169.88   1752.00  206.581 10.509  202.054 8.0056  4.527573       13.21129  
1 1 1 12  29  2  o 173.457 4.9908  16311.98   937.638  14703.50   1325.14  17924.75   1326.91  164.572 7.4342  181.747 6.7407  -17.17491      10.03512  
1 1 1 12  29  3  o 228.697 6.0333  28372.57   1494.46  31182.65   2113.93  25564.86   2113.04  239.587 8.1462  216.861 8.9961  22.72629       12.13639  
1 1 1 12  29  4  o 328.503 8.0989  58630.73   2881.60  59534.19   4075.63  57727.64   4074.78  330.503 11.385  325.418 11.561  5.085327       16.22600  
1 1 1 12  29  5  o 111.070 4.1259  6686.88    496.351  6514.18    700.733  6860.77    703.166  109.414 5.9352  112.307 5.8005  -2.892937      8.298931  
1 1 1 12  29  6  o 321.318 7.9407  56108.70   2763.51  57520.46   3909.26  54698.48   3907.12  324.791 11.113  316.669 11.392  8.122314       15.91412  
1 1 1 12  29  7  o 79.035  2.8311  3384.41    242.347  3986.97    450.276  3138.68    287.548  85.603  4.8766  76.102  3.4886  9.501572       5.995946  
1 1 1 12  29  8  o 432.155 8.6145  101627.60  4032.20  94539.66   6989.14  105163.80  4936.59  414.563 15.566  439.133 10.379  -24.57037      18.70859  
1 1 1 12  29  9  o 363.654 6.1815  71808.13   2434.74  74179.12   3444.51  69440.62   3441.98  369.147 8.6150  357.101 8.8991  12.04660       12.38601  
1 1 1 12  29  10 o 214.531 3.8903  24952.44   903.946  25903.69   1280.66  24007.96   1276.10  218.466 5.4123  210.304 5.6023  8.162445       7.789635  
1 1 1 12  29  11 o 78.082  2.7715  3303.78    234.391  3463.36    338.016  3155.97    325.308  79.921  3.9049  76.189  3.9558  3.732651       5.558424  
1 1 1 12  29  12 o 175.892 3.4701  16772.09   661.081  18557.43   939.086  15018.16   930.788  184.938 4.6882  166.336 5.1665  18.60162       6.976531  
1 1 1 12  29  13 f 74.905  2.8448  3040.85    230.796  3323.93    333.279  2780.01    319.919  78.186  3.9483  71.469  4.1508  6.717407       5.728731  
1 1 1 12  29  14 o 107.641 2.8972  6280.45    337.767  7067.73    480.557  5511.78    474.844  114.146 3.8870  100.780 4.3502  13.36563       5.833740  
1 1 1 12  29  15 o 33.140  4.2721  605.921    149.772  669.616    216.995  547.970    206.978  34.594  6.0093  31.173  6.3460  3.421282       8.739751  
1 1 1 12  29  16 o 202.306 3.9021  22214.98   855.031  24036.38   1210.44  20401.04   1207.96  210.232 5.3159  193.611 5.7604  16.62048       7.838398  
1 1 1 12  29  17 o 149.569 3.8465  12148.92   623.130  12577.19   761.295  11279.53   1084.67  152.088 4.6215  143.660 6.9709  8.427826       8.363776  
1 1 1 12  29  18 o 81.919  3.4389  3644.97    305.126  3702.51    557.454  3620.35    364.591  82.040  6.3223  81.484  4.1448  0.5562744      7.559777  
1 1 1 12  29  19 o 177.076 3.6553  17055.42   701.045  17225.68   988.788  16883.33   994.089  177.577 5.1410  175.780 5.2214  1.797394       7.327507  
1 1 1 12  29  20 o 31.953  4.5224  568.524    152.142  615.727    207.740  513.916    223.440  32.967  6.0406  29.909  7.0182  3.058088       9.259797  
1 1 1 12  29  21 o 41.095  3.9902  930.640    175.366  1075.50    256.391  803.298    240.391  43.889  5.5154  37.698  6.0954  6.190144       8.220365  
1 1 1 12  29  22 o 59.498  3.3503  1936.63    215.021  2109.37    289.348  1723.58    321.334  61.897  4.3435  55.660  5.3980  6.236729       6.928521  
1 1 1 12  29  23 o 29.701  6.0996  507.937    189.654  454.999    244.016  588.706    301.407  27.923  7.7792  31.566  8.5876  -3.643509      11.58716  
1 1 1 12  29  24 o 169.517 3.5759  15744.36   656.542  15359.93   924.424  16135.64   932.611  166.419 5.1286  170.633 5.0462  -4.214478      7.194929  
1 1 1 12  29  25 o 82.987  3.2105  3772.34    288.571  3738.77    397.894  3809.60    419.137  82.057  4.4940  82.740  4.6964  -0.6822662     6.500181  
1 1 1 12  29  26 o 31.163  5.7132  563.816    185.729  408.978    236.804  811.312    299.387  26.151  7.7831  36.671  7.7788  -10.52036      11.00390  
1 1 1 12  29  27 o 21.782  7.0134  275.549    188.017  372.381    229.111  75.854     329.019  24.886  7.7074  20.195  8.5917  4.690599       11.54215  
1 1 1 12  29  28 f 28.269  7.4762  504.194    232.422  381.984    302.233  681.070    363.598  24.953  8.8824  31.694  9.6919  -6.740524      13.14645  
1 1 1 12  29  29 o 27.264  7.8562  493.373    244.667  411.062    324.678  601.538    372.192  24.955  9.1622  28.868  9.8863  -3.912567      13.47902  
1 1 1 12  29  30 o 14.498  6.9041  -250.3510  298.419  -101.4373  341.684  -729.2026  612.714  17.037  7.8757  17.979  8.8572  -0.9416981     11.85229  
1 1 1 12  29  31 o 15.407  7.2180  -141.2208  302.450  115.187    344.831  -996.2541  629.697  19.237  8.4824  16.724  8.3611  2.513008       11.91044  
1 1 1 12  29  32 o 14.452  6.9141  -234.2927  306.695  -179.6404  348.657  -421.2249  644.817  15.880  7.5333  18.923  9.2748  -3.042709      11.94875  
1 1 1 12  30  0  o 151.625 3.1712  12455.87   520.786  12579.31   597.921  12067.88   1060.03  152.364 3.6232  149.137 6.5624  3.227142       7.496175  
1 1 1 12  30  1  o 208.975 6.1911  23690.53   1401.30  21181.41   2338.21  25096.81   1750.49  196.931 11.006  215.001 7.5171  -18.06906      13.32834  
1 1 1 12  30  2  o 415.931 9.9622  94120.14   4487.94  85480.28   6346.00  102764.90  6347.80  395.281 14.823  433.778 13.511  -38.49649      20.05629  
1 1 1 12  30  3  o 216.687 5.7978  25469.11   1360.71  24259.77   1922.96  26681.88   1925.70  211.290 8.4027  221.621 8.0225  -10.33031      11.61749  
1 1 1 12  30  4  o 151.961 4.6452  12519.30   764.552  10984.87   1079.08  14066.07   1083.41  142.244 7.0040  161.005 6.2127  -18.76074      9.362414  
1 1 1 12  30  5  o 94.502  4.0174  4840.62    411.207  4935.84    580.591  4744.79    582.481  95.220  5.6549  93.340  5.7902  1.879692       8.093483  
1 1 1 12  30  6  o 303.322 7.5692  49987.55   2486.69  49930.08   3517.40  50044.97   3516.02  302.651 10.730  303.002 10.714  -0.3510437     15.16310  
1 1 1 12  30  7  o 346.787 6.7262  65309.59   2526.42  67915.95   4383.66  64013.32   3091.49  352.702 11.475  343.075 8.3197  9.626892       14.17380  
1 1 1 12  30  8  o 292.966 5.8482  46586.38   1855.71  44570.51   3221.16  47587.80   2270.32  285.858 10.404  295.942 7.0829  -10.08408      12.58599  
1 1 1 12  30  9  o 190.087 4.3090  19593.88   887.143  19874.64   1551.39  19457.47   1081.40  191.188 7.4919  189.361 5.2726  1.826004       9.161246  
1 1 1 12  30  10 o 33.209  3.3542  603.837    118.993  720.927    182.494  517.236    156.945  36.142  4.7792  30.493  4.9195  5.649038       6.858759  
1 1 1 12  30  11 o 187.346 3.6871  19028.73   748.172  19837.44   1060.78  18228.22   1055.39  191.186 5.1227  183.253 5.3173  7.933731       7.383483  
1 1 1 12  30  12 o 37.583  3.4038  771.979    137.054  938.916    211.907  651.934    179.697  41.317  4.8263  34.303  4.9822  7.013138       6.936537  
1 1 1 12  30  13 o 160.075 3.3327  13891.85   577.816  15273.17   820.821  12534.94   813.537  167.768 4.5172  151.957 4.9430  15.81131       6.696110  
1 1 1 12  30  14 o 109.103 2.9144  6452.37    344.398  7177.94    490.711  5748.05    483.475  115.029 3.9387  102.917 4.3373  12.11169       5.858765  
1 1 1 12  30  15 o 19.040  5.7050  198.970    126.919  252.227    200.269  163.225    164.074  22.015  7.2484  18.557  6.5511  3.457314       9.770168  
1 1 1 12  30  16 o 159.059 3.3792  13725.58   582.170  14574.25   824.726  12882.71   821.907  163.773 4.6494  153.944 4.9293  9.829117       6.776077  
1 1 1 12  30  17 o 48.169  2.3335  1257.89    121.745  1423.81    259.427  1211.03    137.869  50.942  4.7569  47.177  2.7095  3.765270       5.474428  
1 1 1 12  30  18 o 128.063 3.5743  8911.17    495.768  10242.97   849.497  8223.27    610.522  136.943 5.7273  122.889 4.5869  14.05428       7.337708  
1 1 1 12  30  19 o 87.740  2.6716  4179.24    253.882  4580.54    378.529  3851.10    342.287  91.739  3.8095  84.124  3.7567  7.615456       5.350242  
1 1 1 12  30  20 o 104.527 2.9346  5939.36    332.241  6379.79    466.359  5485.46    473.441  108.161 3.9809  100.224 4.3614  7.936897       5.904989  
1 1 1 12  30  21 o 28.469  5.4209  460.024    161.050  628.813    208.548  210.647    253.491  33.273  6.0079  21.750  8.0757  11.52358       10.06535  
1 1 1 12  30  22 o 18.177  1.5728  180.555    30.659   15.965     219.038  183.845    30.964   16.566  7.0277  18.343  1.5738  -1.776655      7.201789  
1 1 1 12  30  23 f 37.864  4.4542  798.574    179.176  629.561    232.863  1043.86    280.529  32.967  6.7487  42.863  6.2245  -9.896317      9.180977  
1 1 1 12  30  24 o 43.372  4.6218  1050.09    213.771  1178.32    278.179  865.159    334.073  45.616  5.7587  38.097  8.3285  7.518848       10.12549  
1 1 1 12  30  25 o 21.263  1.3652  246.373    31.276   5.1228     238.170  250.606    31.549   16.811  7.2346  21.446  1.3653  -4.634689      7.362301  
1 1 1 12  30  26 o 65.967  2.4651  2375.94    176.128  2279.75    321.093  2417.34    210.646  63.790  4.6800  66.428  2.9277  -2.637932      5.520339  
1 1 1 12  30  27 o 32.018  1.6650  559.226    57.542   562.521    289.176  559.090    58.717   29.972  8.5105  32.010  1.6997  -2.037554      8.678549  
1 1 1 12  30  28 o 38.068  1.7855  790.637    73.620   659.964    289.791  799.653    76.117   31.853  8.3117  38.277  1.8360  -6.423508      8.512114  
1 1 1 12  30  29 o 16.266  6.9308  57.802     214.687  -150.2477  266.319  443.912    362.806  14.766  6.8697  25.712  9.6386  -10.94511      11.83621  
1 1 1 12  30  30 o 22.122  8.5146  304.771    287.644  452.745    326.714  -205.2966  606.583  25.319  9.2067  20.677  9.8455  4.641991       13.47948  
1 1 1 12  30  31 o 21.187  8.6481  271.402    313.799  1.8424     360.627  1111.88    636.787  18.111  8.2680  32.377  12.611  -14.26603      15.07930  
1 1 1 12  30  32 o 18.697  8.1757  131.945    314.391  68.156     358.996  341.859    651.233  18.548  8.3806  23.534  10.877  -4.986288      13.73100  
1 1 1 12  31  0  f 237.621 5.5104  30620.54   1418.20  30914.79   1589.00  29468.31   3144.38  238.719 6.1456  232.100 12.555  6.619217       13.97820  
1 1 1 12  31  1  f 362.393 10.390  71481.04   4078.13  71301.38   7340.54  71561.25   4904.70  359.374 18.925  362.188 12.503  -2.814178      22.68241  
1 1 1 12  31  2  o 123.771 4.2428  8303.41    568.784  7741.56    803.980  8866.38    804.785  119.287 6.2444  127.850 5.8118  -8.562103      8.530525  
1 1 1 12  31  3  o 177.355 5.0889  17056.64   977.552  18223.46   1382.10  15888.61   1382.83  183.217 6.9647  171.047 7.4642  12.17024       10.20889  
1 1 1 12  31  4  o 415.455 12.038  94183.02   5416.95  99981.35   9850.28  91669.26   6485.73  424.056 21.517  409.137 14.636  14.91907       26.02285  
1 1 1 12  31  5  o 449.602 10.762  110170.30  5240.71  103316.00  7411.35  117024.90  7411.60  433.812 15.773  462.068 14.809  -28.25589      21.63604  
1 1 1 12  31  6  o 449.433 10.754  110131.70  5234.80  100793.10  7402.85  119471.70  7403.39  428.220 15.961  466.758 14.644  -38.53778      21.66127  
1 1 1 12  31  7  o 92.049  3.9922  4593.19    398.013  4501.96    562.632  4684.58    563.120  90.900  5.7442  92.744  5.6326  -1.843132      8.044976  
1 1 1 12  31  8  o 113.184 2.7816  6941.21    340.994  6934.86    704.434  6943.15    389.694  112.887 5.7808  113.190 3.1787  -0.3035355     6.597053  
1 1 1 12  31  9  f 175.402 3.8596  16679.23   733.248  19568.07   1289.22  15297.91   891.479  189.818 6.2707  167.926 4.9014  21.89134       7.959036  
1 1 1 12  31  10 o 257.476 5.4998  35985.45   1533.75  35730.00   2666.84  36111.70   1874.84  255.947 9.6200  257.780 6.7150  -1.832672      11.73183  
1 1 1 12  31  11 o 260.965 4.7057  36948.84   1330.07  38888.68   1882.98  35017.12   1879.03  267.505 6.4990  253.793 6.8357  13.71181       9.432048  
1 1 1 12  31  12 o 210.316 3.9976  23988.92   910.636  25200.02   1291.05  22789.82   1284.64  215.418 5.5334  204.831 5.7905  10.58719       8.009262  
1 1 1 12  31  13 o 121.146 3.0181  7955.31    396.014  7710.13    563.829  8194.03    556.344  119.205 4.3670  122.898 4.1795  -3.693680      6.044761  
1 1 1 12  31  14 o 49.293  3.2090  1322.95    170.394  1181.00    247.122  1451.59    235.263  46.366  4.9999  51.546  4.2519  -5.179592      6.563389  
1 1 1 12  31  15 o 86.538  2.8595  4060.00    268.015  4628.65    386.624  3533.94    371.867  92.358  3.8650  80.570  4.2766  11.78799       5.764348  
1 1 1 12  31  16 o 150.421 3.3028  12275.12   538.092  12887.53   762.312  11666.98   759.649  154.003 4.5702  146.505 4.7873  7.498062       6.618514  
1 1 1 12  31  17 o 20.032  6.4444  213.356    158.776  228.205    186.204  173.795    303.932  21.000  6.9929  22.411  8.7167  -1.411295      11.17507  
1 1 1 12  31  18 o 44.096  4.2146  1067.62    198.839  669.579    349.463  1258.18    241.794  34.191  9.2241  47.826  4.7298  -13.63508      10.36606  
1 1 1 12  31  19 o 115.004 2.9952  7185.57    373.084  7331.40    525.048  7036.85    530.232  115.989 4.1794  113.613 4.3089  2.376114       6.002811  
1 1 1 12  31  20 o 125.181 3.0221  8521.39    409.752  7839.41    574.004  9230.01    585.110  119.785 4.4243  130.043 4.1541  -10.25834      6.068861  
1 1 1 12  31  21 o 71.488  2.5989  2777.81    201.235  3025.39    341.037  2645.55    249.252  74.260  4.2579  69.688  3.3023  4.572052       5.388385  
1 1 1 12  31  22 o 45.340  4.0129  1133.73    195.028  1225.00    267.851  1030.73    284.526  46.821  5.3795  42.628  6.3569  4.193520       8.327636  
1 1 1 12  31  23 o 15.498  6.2899  60.044     164.829  22.194     219.391  109.096    249.757  16.638  7.0444  19.287  7.7723  -2.649420      10.48963  
1 1 1 12  31  24 o 80.275  3.1116  3522.14    270.547  3404.52    367.102  3661.97    400.267  78.472  4.3360  81.305  4.5638  -2.832695      6.295138  
1 1 1 12  31  25 o 120.886 3.2033  8007.47    419.422  7687.67    587.300  8340.34    599.182  117.716 4.6063  122.672 4.5097  -4.955910      6.446334  
1 1 1 12  31  26 o 35.757  5.2107  731.115    195.871  856.898    256.513  555.209    303.346  38.288  6.4123  30.047  8.7737  8.240614       10.86712  
1 1 1 12  31  27 o 18.106  6.9909  142.618    194.383  146.653    243.359  135.505    323.077  19.366  7.7176  20.937  8.6838  -1.570980      11.61763  
1 1 1 12  31  28 o 27.185  7.2033  466.536    215.493  389.811    264.013  619.675    372.995  24.821  8.3274  30.005  9.8927  -5.184422      12.93100  
1 1 1 12  31  29 o 27.346  7.5068  490.698    229.102  566.821    303.361  389.651    349.516  28.564  8.8724  24.584  9.4041  3.980322       12.92889  
1 1 1 12  31  30 o 20.478  2.3187  234.185    50.524   313.645    387.197  232.809    50.959   23.003  9.5207  20.410  2.3480  2.593176       9.805998  
1 1 1 12  31  31 o 18.670  8.3696  68.114     350.104  14.023     426.178  180.383    613.988  19.258  8.8641  22.641  10.498  -3.383032      13.73984  
1 1 1 12  31  32 o 19.069  8.5289  109.897    361.341  51.289     435.217  239.933    648.279  19.418  8.9453  22.769  10.634  -3.350416      13.89642  
1 1 1 12  32  0  o 395.996 11.484  85456.60   4925.65  89978.39   8928.49  83478.32   5905.65  403.094 20.518  390.804 13.952  12.28979       24.81241  
1 1 1 12  32  1  o 399.487 11.612  86992.93   5024.39  84663.88   6022.23  92326.93   9113.71  393.487 14.130  408.184 20.682  -14.69656      25.04812  
1 1 1 12  32  2  o 134.021 4.3780  9736.42    635.503  9705.30    899.110  9767.49    898.365  133.742 6.2069  134.171 6.1819  -0.4288483     8.760263  
1 1 1 12  32  3  o 265.307 7.5068  38229.46   2157.10  33580.85   3742.63  40541.85   2639.64  247.376 14.026  273.049 8.9255  -25.67264      16.62525  
1 1 1 12  32  4  o 246.828 6.3830  33066.17   1706.44  30162.82   2412.19  35974.70   2414.34  235.434 9.4596  257.217 8.6662  -21.78294      12.82912  
1 1 1 12  32  5  o 65.760  4.1640  2353.53    295.049  2378.13    414.075  2328.15    420.523  65.944  5.8584  65.224  6.0206  0.7201309      8.400507  
1 1 1 12  32  6  o 230.537 6.0780  28846.85   1517.64  29042.75   2146.83  28651.16   2145.72  231.062 8.5782  229.492 8.6325  1.569550       12.16986  
1 1 1 12  32  7  o 143.181 4.5239  11117.04   701.566  10585.13   992.342  11648.57   991.988  139.611 6.5625  146.476 6.2527  -6.864090      9.064402  
1 1 1 12  32  8  o 140.375 3.6213  10681.07   550.580  9798.91    966.845  11104.43   669.790  134.309 6.6463  143.102 4.3214  -8.793549      7.927663  
1 1 1 12  32  9  o 285.549 5.0219  44239.38   1553.16  44358.94   3119.36  44199.97   1790.95  285.130 10.101  285.334 5.7951  -0.2039490     11.64506  
1 1 1 12  32  10 o 278.906 5.6763  42233.23   1714.73  45889.95   2981.54  40425.98   2096.06  290.072 9.4900  272.679 7.0971  17.39291       11.85027  
1 1 1 12  32  11 o 210.359 4.6030  24006.84   1048.76  25584.62   1830.40  23235.71   1279.63  216.801 7.7950  206.853 5.7115  9.947556       9.663501  
1 1 1 12  32  12 o 354.474 6.4774  68309.80   2486.87  70887.21   3267.97  64763.73   3833.19  360.635 8.3664  344.145 10.284  16.49081       13.25712  
1 1 1 12  32  13 o 251.646 4.6133  34370.13   1257.39  34752.65   1780.09  33989.22   1776.34  252.768 6.5021  249.966 6.5611  2.801727       9.237115  
1 1 1 12  32  14 o 200.878 3.8784  21890.91   843.828  22255.77   1194.83  21527.84   1191.88  202.374 5.4511  199.027 5.5290  3.346909       7.764308  
1 1 1 12  32  15 o 211.348 4.0412  24244.68   925.080  25011.52   1310.39  23482.78   1306.15  214.436 5.6420  207.752 5.8046  6.683228       8.094812  
1 1 1 12  32  16 o 29.453  4.9824  484.680    153.275  40.759     228.302  848.971    206.814  17.579  7.2961  39.200  4.9837  -21.62104      8.835747  
1 1 1 12  32  17 o 101.341 2.9400  5572.32    322.698  5731.79    453.055  5408.11    459.745  102.691 4.0733  99.733  4.2561  2.958321       5.891170  
1 1 1 12  32  18 o 89.268  3.0315  4326.87    293.107  4944.27    562.021  4096.21    343.524  94.988  5.4861  86.805  3.6538  8.183281       6.591474  
1 1 1 12  32  19 o 125.684 3.0744  8584.79    418.506  8966.91    590.262  8198.50    593.465  128.245 4.2495  122.583 4.4699  5.661682       6.167474  
1 1 1 12  32  20 o 102.606 2.9763  5725.10    330.761  6231.25    477.793  5259.31    458.347  106.842 4.1288  98.121  4.3128  8.720978       5.970591  
1 1 1 12  32  21 o 37.821  4.5840  794.754    183.944  777.547    236.406  821.154    292.829  37.052  6.1033  37.757  7.4251  -0.7048836     9.611581  
1 1 1 12  32  22 o 53.248  3.6984  1557.09    211.973  1468.02    296.928  1649.67    302.707  51.281  5.4285  54.457  5.1951  -3.176579      7.513820  
1 1 1 12  32  23 o 38.558  4.7581  831.407    194.493  794.939    270.125  870.665    280.265  37.047  6.9883  38.837  6.9163  -1.790443      9.832127  
1 1 1 12  32  24 o 17.898  6.6338  145.984    170.905  138.615    224.712  156.095    263.222  19.129  7.4798  20.478  8.0686  -1.349276      11.00228  
1 1 1 12  32  25 o 79.106  3.3064  3432.65    283.291  4003.59    397.973  2846.19    403.348  84.938  4.3404  71.162  5.2706  13.77629       6.827777  
1 1 1 12  32  26 o 43.584  4.5035  1067.58    209.530  1095.51    279.043  1031.47    317.263  43.530  6.0849  41.662  7.2968  1.867836       9.501012  
1 1 1 12  32  27 f 43.194  4.9957  1066.79    229.403  1364.86    285.581  524.609    385.168  48.653  5.5169  28.927  10.049  19.72585       11.46391  
1 1 1 12  32  28 o 28.470  7.2550  514.575    224.366  563.045    296.179  449.304    343.700  29.053  8.7174  26.290  9.4600  2.762486       12.86410  
1 1 1 12  32  29 o 35.278  6.3986  773.012    235.490  747.887    310.523  807.021    361.275  33.018  8.5983  33.518  9.5107  -0.5000916     12.82124  
1 1 1 12  32  30 o 17.409  7.6146  57.355     272.863  -144.1839  304.397  881.695    615.621  15.639  7.2985  30.831  12.278  -15.19241      14.28385  
1 1 1 12  32  31 o 25.346  9.1200  486.982    319.431  458.452    367.487  575.170    646.092  24.604  9.5806  26.052  11.543  -1.448303      15.00092  
1 1 1 12  32  32 o 30.319  9.2516  728.093    331.546  690.061    387.098  832.811    642.331  28.418  10.059  28.002  11.961  0.4156742      15.62858  
1 1 1 12  33  0  o 394.493 11.118  84793.42   4750.42  81544.84   8598.76  86220.44   5699.07  383.445 20.782  397.294 13.244  -13.84833      24.64339  
1 1 1 12  33  1  o 407.960 9.8342  90568.79   4345.37  90834.48   6145.56  90303.14   6145.00  407.571 13.922  406.366 13.962  1.205078       19.71637  
1 1 1 12  33  2  o 145.673 4.9822  11506.71   786.084  12417.42   1211.04  10843.64   1033.36  151.212 7.3944  141.338 6.7503  9.873749       10.01218  
1 1 1 12  33  3  o 230.403 6.7289  28817.93   1679.19  26089.26   2851.29  30266.84   2077.72  218.310 12.106  235.994 8.1286  -17.68423      14.58186  
1 1 1 12  33  4  o 205.611 5.5983  22934.45   1246.73  23339.85   1763.12  22529.03   1763.18  207.247 7.8546  203.603 7.9954  3.644196       11.20811  
1 1 1 12  33  5  o 71.554  3.1268  2774.35    242.331  2597.46    288.157  3201.65    447.864  69.117  3.8647  76.632  5.4311  -7.514229      6.665819  
1 1 1 12  33  6  o 267.342 6.8133  38818.37   1972.85  35607.04   2789.67  42031.35   2790.39  255.604 10.077  277.842 9.2725  -22.23759      13.69369  
1 1 1 12  33  7  o 26.398  1.7962  379.206    51.050   368.577    51.899   695.948    283.310  26.019  1.8537  35.103  7.6662  -9.083828      7.887177  
1 1 1 12  33  8  o 124.717 3.2801  8429.91    443.088  8294.38    784.219  8493.47    537.019  123.608 5.8576  125.165 3.9613  -1.556854      7.071320  
1 1 1 12  33  9  o 283.068 5.0333  43475.50   1543.17  44860.58   3100.54  43019.43   1779.18  286.746 9.9832  281.487 5.8357  5.258362       11.56373  
1 1 1 12  33  10 o 92.964  2.7635  4683.14    278.256  4330.92    595.588  4781.48    314.715  89.075  6.2122  93.928  3.0935  -4.852966      6.939854  
1 1 1 12  33  11 o 201.719 3.8041  22063.22   831.135  21190.63   1677.79  22346.99   956.781  197.293 7.8515  202.973 4.3521  -5.679886      8.977064  
1 1 1 12  33  12 o 191.158 4.3872  19824.97   908.343  20577.11   1587.40  19458.79   1107.60  194.405 7.5389  189.295 5.4022  5.110260       9.274635  
1 1 1 12  33  13 o 40.369  4.0812  893.100    175.993  1210.18    361.208  794.393    201.534  46.570  7.4093  37.919  5.0312  8.651070       8.956054  
1 1 1 12  33  14 o 75.402  2.8478  3081.94    232.570  3414.44    336.362  2777.38    321.919  79.331  3.9147  71.417  4.1799  7.913086       5.726830  
1 1 1 12  33  15 o 105.161 2.9294  5996.28    333.656  5991.49    476.400  6000.89    467.449  105.051 4.1870  105.139 4.1049  -0.8744812E-01 5.863512  
1 1 1 12  33  16 o 155.318 3.3953  13091.22   571.174  14237.75   782.031  11780.32   836.213  161.857 4.4609  147.127 5.2475  14.72931       6.887393  
1 1 1 12  33  17 o 142.020 3.2487  10949.67   499.719  11405.19   704.766  10489.09   708.669  144.782 4.4943  138.813 4.7135  5.968781       6.512716  
1 1 1 12  33  18 o 38.720  4.7137  829.161    193.602  1042.70    385.438  757.107    223.896  42.674  8.6356  36.768  5.8157  5.905899       10.41137  
1 1 1 12  33  19 o 100.228 2.9077  5458.33    315.653  5350.83    445.494  5566.71    447.313  99.067  4.1519  101.056 4.0868  -1.989197      5.825792  
1 1 1 12  33  20 o 28.622  2.4805  448.269    76.137   1244.16    260.148  373.712    79.623   47.360  5.1548  26.062  2.8682  21.29773       5.899047  
1 1 1 12  33  21 o 61.287  3.4348  2054.18    227.083  2204.31    321.005  1903.80    321.282  63.226  4.7216  58.641  5.1095  4.585693       6.957066  
1 1 1 12  33  22 o 18.474  6.6919  160.884    172.367  354.057    241.001  -41.4062   246.623  25.097  7.9256  16.525  7.2332  8.572092       10.73005  
1 1 1 12  33  23 o 52.000  3.7279  1488.42    208.570  1532.40    283.459  1436.50    307.990  52.419  5.0554  50.528  5.7290  1.890320       7.640526  
1 1 1 12  33  24 o 56.849  2.1228  1758.13    130.710  1410.35    308.380  1834.30    144.315  49.886  5.8166  58.045  2.2955  -8.158798      6.253169  
1 1 1 12  33  25 o 72.411  2.6616  2863.88    208.747  3061.29    371.791  2773.00    252.262  74.085  4.6571  71.097  3.2759  2.987358       5.693853  
1 1 1 12  33  26 o 19.832  7.3881  189.210    212.510  154.053    267.577  249.265    349.719  20.262  8.0869  23.686  9.3106  -3.423243      12.33228  
1 1 1 12  33  27 o 36.575  5.5123  778.690    211.588  800.958    267.946  741.802    344.866  36.346  7.0609  33.853  9.1759  2.493176       11.57813  
1 1 1 12  33  28 o 22.273  7.5876  304.612    219.225  372.297    287.109  209.974    339.495  24.305  8.6567  21.687  8.9400  2.617411       12.44439  
1 1 1 12  33  29 o 19.139  1.8413  202.223    37.698   216.820    253.191  201.892    38.123   20.201  7.9280  19.118  1.8648  1.082558       8.144384  
1 1 1 12  33  30 f 16.787  7.4312  26.819     267.193  -126.7722  299.865  618.672    588.640  15.673  7.2908  27.497  11.585  -11.82389      13.68783  
1 1 1 12  33  31 o 22.238  9.1699  323.025    357.326  174.398    430.714  651.161    639.982  20.889  9.3294  26.695  11.669  -5.806007      14.94022  
1 1 1 12  34  0  f 211.523 5.7061  24270.35   1307.29  22876.18   1848.31  25665.96   1849.26  205.167 8.3176  217.359 7.8551  -12.19167      11.44044  
1 1 1 12  34  1  o 462.841 11.054  116745.50  5541.62  118776.50  7837.59  114715.00  7836.48  465.423 15.548  457.296 15.822  8.127167       22.18232  
1 1 1 12  34  2  o 433.125 11.829  102347.60  5549.26  90781.95   10096.17 107354.20  6642.62  403.091 23.223  442.988 13.844  -39.89767      27.03694  
1 1 1 12  34  3  o 103.446 4.1114  5800.54    460.653  6375.14    648.736  5216.18    654.221  108.266 5.5510  97.844  6.2055  10.42237       8.325942  
1 1 1 12  34  4  o 137.243 4.4509  10212.07   661.616  9760.11    934.382  10666.53   936.956  134.089 6.4337  140.190 6.1707  -6.101532      8.914583  
1 1 1 12  34  5  o 78.897  4.0222  3383.15    342.569  3181.39    482.172  3588.79    486.792  76.341  5.8766  81.138  5.5730  -4.797447      8.098936  
1 1 1 12  34  6  o 204.461 5.5777  22684.36   1235.19  21580.70   1746.84  23788.00   1746.82  199.206 8.0962  209.186 7.7098  -9.980347      11.17989  
1 1 1 12  34  7  o 174.533 5.0352  16525.09   951.834  16156.37   1346.54  16893.34   1345.66  172.419 7.2104  176.322 7.0463  -3.902573      10.08168  
1 1 1 12  34  8  o 89.356  3.9885  4329.00    386.017  3810.80    547.131  4842.60    544.697  83.554  6.0876  94.314  5.3543  -10.75985      8.107272  
1 1 1 12  34  9  o 189.932 3.6559  19556.02   752.072  19376.86   1525.38  19613.55   864.443  188.757 7.4612  190.181 4.1966  -1.424164      8.560401  
1 1 1 12  34  10 o 172.023 3.5272  16041.83   657.191  15675.27   1335.40  16158.99   754.939  169.769 7.2625  172.623 4.0378  -2.854355      8.309452  
1 1 1 12  34  11 o 98.149  2.7064  5220.29    287.711  5004.13    611.405  5281.77    326.070  95.798  5.9216  98.717  3.0496  -2.919182      6.660732  
1 1 1 12  34  12 o 176.249 3.4793  16842.35   664.175  17726.81   1345.09  16557.18   763.781  180.508 6.8799  174.714 4.0362  5.793594       7.976477  
1 1 1 12  34  13 o 205.295 4.5966  22876.82   1022.09  21066.37   1781.44  23765.24   1247.92  196.484 8.3710  209.139 5.5091  -12.65565      10.02114  
1 1 1 12  34  14 o 132.742 3.5400  9557.45    508.959  10906.97   899.602  8922.13    617.242  141.611 5.8652  128.196 4.4454  13.41412       7.359502  
1 1 1 12  34  15 f 176.785 4.1684  16969.27   798.151  16795.47   1392.16  17054.37   974.150  175.402 7.3280  177.117 5.0780  -1.714844      8.915463  
1 1 1 12  34  16 o 47.594  3.2652  1234.94    167.304  1241.24    246.213  1229.53    228.037  47.526  4.8511  47.347  4.5009  0.1790237      6.617475  
1 1 1 12  34  17 o 125.194 3.0738  8507.71    416.796  9335.06    590.468  7686.09    588.415  131.015 4.1611  118.830 4.5718  12.18513       6.181909  
1 1 1 12  34  18 o 69.121  3.3802  2596.77    253.061  2691.49    306.580  2394.25    448.293  70.200  4.0493  65.772  6.3728  4.427834       7.550473  
1 1 1 12  34  19 o 80.642  2.8654  3533.56    250.272  3605.59    353.309  3461.01    354.572  81.329  4.0109  79.562  4.1288  1.767288       5.756215  
1 1 1 12  34  20 o 146.079 3.2865  11618.28   519.980  11595.80   736.607  11640.61   734.123  145.542 4.6728  145.831 4.6478  -0.2892609     6.590702  
1 1 1 12  34  21 o 103.140 2.9211  5790.03    326.326  5841.63    486.008  5747.67    440.352  103.285 4.3444  102.546 3.9647  0.7394791      5.881590  
1 1 1 12  34  22 o 58.582  3.6338  1882.93    229.426  1599.09    312.896  2212.97    337.401  53.512  5.4757  63.187  4.9701  -9.675808      7.394985  
1 1 1 12  34  23 o 69.253  2.4773  2610.82    185.815  2376.45    342.442  2708.62    221.214  65.418  4.8679  70.471  2.8982  -5.052757      5.665327  
1 1 1 12  34  24 o 38.524  5.2059  839.771    211.658  925.647    282.755  730.325    319.210  39.928  6.7808  34.790  8.5356  5.138138       10.90122  
1 1 1 12  34  25 o 86.447  3.2731  4100.70    306.466  4358.28    415.240  3792.53    454.190  88.691  4.3227  82.216  5.1260  6.475204       6.705329  
1 1 1 12  34  26 o 77.116  3.4483  3275.68    288.016  3322.17    392.467  3221.41    423.989  76.961  4.7312  75.502  5.2167  1.459274       7.042614  
1 1 1 12  34  27 o 43.896  4.7166  1098.85    220.731  1186.26    282.759  962.500    353.174  44.988  5.9489  38.894  8.6110  6.093311       10.46610  
1 1 1 12  34  28 o 13.665  6.2576  -95.3058   208.673  -246.5729  270.772  125.928    327.459  13.980  6.6340  20.091  8.5599  -6.110568      10.82968  
1 1 1 12  34  29 o 36.867  6.4680  847.285    248.854  692.754    340.780  1023.84    364.259  31.040  9.3591  38.430  8.9226  -7.390244      12.93084  
1 1 1 12  34  30 o 26.984  9.2607  540.459    326.621  525.687    390.349  574.950    596.462  26.344  9.9713  26.913  11.512  -0.5692177     15.22986  
1 1 1 12  34  31 o 16.354  7.4640  -27.8811   293.685  91.407     335.377  -420.1749  608.193  18.624  8.2809  18.689  9.1279  -0.6559753E-01 12.32439  
1 1 1 12  35  0  o 59.380  4.2990  1921.33    274.620  1749.70    388.782  2092.23    387.961  56.410  6.4810  61.824  5.8639  -5.413940      8.740044  
1 1 1 12  35  1  o 109.961 4.1166  6554.03    490.289  6940.82    694.473  6169.69    692.279  112.970 5.6941  106.463 6.0283  6.506294       8.292356  
1 1 1 12  35  2  o 359.296 9.7305  70271.96   3786.67  59179.33   6792.31  75274.25   4561.26  326.740 19.278  371.523 11.335  -44.78378      22.36396  
1 1 1 12  35  3  o 470.833 11.247  120913.90  5735.29  117205.30  8110.88  124622.60  8110.97  461.787 16.216  476.386 15.720  -14.59900      22.58501  
1 1 1 12  35  4  o 363.545 10.478  72042.17   4125.88  72814.10   7428.91  71697.87   4961.40  362.341 18.996  362.137 12.649  0.2039490      22.82175  
1 1 1 12  35  5  o 149.203 4.6268  12071.94   747.704  12159.26   1057.21  11984.56   1057.62  149.643 6.5228  148.561 6.5729  1.081940       9.260100  
1 1 1 12  35  6  o 20.385  7.0754  201.880    190.922  -59.4747   267.102  474.912    273.003  17.265  7.5432  29.179  8.2634  -11.91357      11.18856  
1 1 1 12  35  7  o 137.817 4.4585  10300.13   665.527  10222.24   941.821  10377.82   940.575  137.198 6.3380  138.242 6.2818  -1.043503      8.923612  
1 1 1 12  35  8  o 96.975  4.0967  5099.06    430.294  4828.04    597.679  5390.70    619.990  94.117  5.8928  99.482  5.7789  -5.364700      8.253531  
1 1 1 12  35  9  o 227.208 4.5281  28001.34   1114.32  27602.05   2902.06  28070.39   1206.83  224.202 11.994  227.457 4.8986  -3.254761      12.95603  
1 1 1 12  35  10 o 154.372 3.3882  12917.85   566.519  11915.33   1157.64  13233.55   649.624  148.013 7.2211  156.226 3.8392  -8.213165      8.178216  
1 1 1 12  35  11 o 189.733 3.8794  19521.48   797.210  18728.85   1975.51  19675.67   871.307  184.897 9.9006  190.457 4.2238  -5.560333      10.76390  
1 1 1 12  35  12 o 88.594  2.7496  4253.79    263.841  5002.39    564.179  4044.24    298.493  95.812  5.4592  86.373  3.1907  9.439796       6.323216  
1 1 1 12  35  13 o 164.475 3.4511  14669.53   614.786  15138.32   1244.88  14518.32   707.018  166.754 6.8926  163.589 3.9903  3.164993       7.964299  
1 1 1 12  35  14 o 218.308 4.0771  25865.78   964.029  24173.21   1936.20  26423.68   1111.61  210.281 8.5012  220.578 4.6529  -10.29628      9.691181  
1 1 1 12  35  15 o 67.589  3.3760  2478.37    247.142  2789.74    454.457  2347.62    294.496  71.333  5.9360  65.620  4.1651  5.713219       7.251500  
1 1 1 12  35  16 o 93.090  3.2160  4702.61    324.256  5276.47    589.330  4453.45    388.319  98.253  5.5607  90.543  3.9597  7.709770       6.826481  
1 1 1 12  35  17 o 93.169  3.3397  4714.38    337.015  4406.10    593.852  4860.84    409.312  89.558  6.1596  94.546  3.9971  -4.988258      7.342826  
1 1 1 12  35  18 o 75.627  4.1876  3124.93    341.674  3202.10    483.043  3047.65    483.358  76.232  5.8961  74.325  6.0570  1.907600       8.452936  
1 1 1 12  35  19 o 68.504  3.0593  2551.47    226.991  2754.35    335.214  2379.65    308.478  70.896  4.3870  65.885  4.3472  5.010498       6.176127  
1 1 1 12  35  20 o 27.344  2.6625  410.197    77.855   948.498    255.868  355.273    81.730   41.088  5.9205  25.376  3.0339  15.71197       6.652560  
1 1 1 12  35  21 o 56.345  3.5495  1739.21    215.511  1595.28    304.135  1884.36    305.426  53.567  5.3121  58.372  4.8756  -4.805023      7.210357  
1 1 1 12  35  22 o 19.566  1.4612  208.799    30.742   65.954     237.686  211.229    31.002   18.107  7.4740  19.680  1.4649  -1.573149      7.616228  
1 1 1 12  35  23 f 48.785  4.1992  1317.88    219.721  1120.83    296.322  1558.54    327.473  44.320  6.3549  52.574  5.8501  -8.253792      8.637623  
1 1 1 12  35  24 o 53.925  3.8757  1607.53    224.859  1981.82    314.074  1213.92    322.073  59.555  4.9129  45.871  6.6786  13.68383       8.290937  
1 1 1 12  35  25 o 73.620  2.7662  2963.43    220.569  3033.20    365.579  2923.49    276.581  73.731  4.6008  72.912  3.5023  0.8185120      5.782167  
1 1 1 12  35  26 f 23.499  1.2776  300.653    32.396   121.032    280.410  303.083    32.614   19.877  8.1512  23.594  1.2811  -3.716644      8.251271  
1 1 1 12  35  27 o 20.543  1.8493  231.959    40.707   121.574    276.740  234.400    41.154   19.450  8.0494  20.650  1.8600  -1.200521      8.261512  
1 1 1 12  35  28 o 11.706  3.3851  78.324     45.352   291.572    252.098  71.192     46.104   22.082  8.0785  11.253  3.4528  10.82850       8.785458  
1 1 1 12  35  29 o 20.693  8.9924  137.711    375.247  0.0000     0.0000   137.711    375.247  ?       ?       20.693  8.9924  0.000000       8.992382  
1 1 1 12  35  30 o 27.517  11.074  622.650    506.352  0.0000     0.0000   622.650    506.352  ?       ?       27.517  11.074  0.000000       11.07442  
1 1 1 12  35  31 o 24.343  10.989  411.776    615.572  0.0000     0.0000   411.776    615.572  ?       ?       24.343  10.989  0.000000       10.98892  
1 1 1 12  36  0  o 592.042 13.971  191825.00  8958.68  202039.41  12670.41 181613.59  12668.55 604.709 19.345  572.676 20.424  32.03296       28.13167  
1 1 1 12  36  1  o 271.030 6.8945  39885.03   2023.91  40078.74   2862.72  39691.45   2861.76  271.335 9.7410  270.015 9.7854  1.320587       13.80723  
1 1 1 12  36  2  o 160.705 4.7818  14004.29   832.328  15268.19   1178.44  12746.15   1175.75  167.709 6.4875  153.198 7.0858  14.51123       9.607150  
1 1 1 12  36  3  o 143.731 4.5625  11201.42   710.271  12149.10   1003.61  10250.47   1005.34  149.610 6.1935  137.394 6.7558  12.21609       9.165124  
1 1 1 12  36  4  o 234.268 6.1547  29790.26   1561.68  28560.71   2208.23  31020.54   2208.88  229.092 8.8995  238.800 8.5402  -9.707458      12.33431  
1 1 1 12  36  5  o 210.226 6.1518  23991.70   1400.75  20642.24   2334.19  25876.77   1751.11  194.153 11.147  218.210 7.4092  -24.05685      13.38449  
1 1 1 12  36  6  o 77.608  3.2757  3264.15    275.344  3237.60    336.174  3318.25    479.928  77.172  4.0359  77.983  5.7220  -0.8102417     7.002178  
1 1 1 12  36  7  o 185.833 5.2422  18738.32   1055.14  18222.57   1492.80  19253.24   1491.60  183.070 7.5286  188.197 7.3176  -5.126785      10.49893  
1 1 1 12  36  8  o 131.913 4.3660  9436.95    623.788  10487.97   884.999  8399.26    879.366  138.985 5.8790  124.167 6.5620  14.81812       8.810410  
1 1 1 12  36  9  o 144.613 3.2281  11334.73   505.615  10248.25   1036.64  11673.87   579.178  137.121 7.0033  146.744 3.6440  -9.622452      7.894648  
1 1 1 12  36  10 o 224.497 4.1342  27332.78   1005.24  28766.06   2030.03  26867.16   1157.06  229.831 8.1550  222.520 4.8008  7.310181       9.463210  
1 1 1 12  36  11 o 344.241 5.8790  64380.18   2191.97  62484.84   4395.64  65007.50   2528.83  337.428 12.027  345.738 6.7531  -8.310181      13.79354  
1 1 1 12  36  12 o 303.213 5.2673  49932.63   1729.83  53582.93   3472.53  48727.82   1994.98  312.852 10.248  299.376 6.1525  13.47617       11.95296  
1 1 1 12  36  13 o 290.100 5.1336  45713.88   1613.02  47868.84   3237.22  45002.15   1860.41  295.579 10.112  287.681 5.9707  7.899078       11.74301  
1 1 1 12  36  14 o 41.593  3.7287  946.152    166.194  1016.68    366.621  927.911    186.451  42.419  8.2769  41.126  4.2470  1.292889       9.302912  
1 1 1 12  36  15 f 164.247 3.4264  14637.80   609.542  13201.33   1226.11  15109.36   702.502  155.450 7.2823  166.825 3.8879  -11.37460      8.255145  
1 1 1 12  36  16 o 93.243  2.8939  4716.74    292.256  4784.48    590.594  4694.78    336.322  93.475  5.8631  92.999  3.3389  0.4761047      6.747194  
1 1 1 12  36  17 o 51.784  3.7548  1465.30    209.163  1698.77    379.254  1363.25    250.745  55.336  6.4487  49.807  4.7038  5.529732       7.981956  
1 1 1 12  36  18 o 18.761  7.1712  134.857    203.148  368.350    287.259  -98.7517   287.330  26.283  8.6824  17.250  7.6676  9.033188       11.58347  
1 1 1 12  36  19 o 94.031  3.4150  4812.78    347.807  5547.07    659.134  4529.43    409.450  100.218 6.1014  91.111  4.1491  9.106316       7.378552  
1 1 1 12  36  20 o 153.710 3.9353  12897.98   655.162  14538.36   1154.43  12118.63   795.719  162.037 6.5778  148.652 4.9422  13.38503       8.227571  
1 1 1 12  36  21 o 94.161  3.2006  4832.59    326.419  5554.02    671.033  4608.96    373.600  99.873  6.2345  91.845  3.7556  8.027489       7.278311  
1 1 1 12  36  22 o 15.533  6.7167  -15.0027   207.306  -360.3638  428.209  90.720     236.921  18.504  8.6428  18.568  7.5392  -0.6340790E-01 11.46899  
1 1 1 12  36  23 o 53.992  2.5262  1587.72    147.732  1959.25    500.794  1552.30    154.612  57.960  8.2068  53.300  2.6869  4.659565       8.635408  
1 1 1 12  36  24 o 33.875  7.6624  683.731    274.556  852.313    559.263  630.200    315.146  36.780  12.113  32.240  8.7853  4.539658       14.96348  
1 1 1 12  36  25 o 41.901  6.2702  1016.67    275.816  945.512    485.080  1050.67    335.293  38.233  11.075  41.983  7.6557  -3.750523      13.46350  
1 1 1 12  36  26 o 19.318  7.9857  103.724    271.918  -246.7422  444.510  313.293    343.733  19.311  8.9466  24.641  9.3497  -5.329647      12.94055  
1 1 1 12  36  27 o 36.940  7.2991  842.839    281.678  971.379    485.290  777.532    345.911  36.899  11.178  34.321  9.1417  2.577961       14.44033  
1 1 1 12  36  28 o 42.544  6.6202  1116.75    295.138  916.441    503.023  1221.90    364.466  34.151  11.494  43.321  8.0643  -9.170059      14.04105  
1 1 1 12  36  29 o 26.802  10.827  515.311    485.895  0.0000     0.0000   515.311    485.895  ?       ?       26.802  10.827  0.000000       10.82674  
1 1 1 12  36  30 o 24.614  10.994  365.196    598.244  0.0000     0.0000   365.196    598.244  ?       ?       24.614  10.994  0.000000       10.99397  
1 1 1 12  36  31 o 31.863  12.428  1081.63    619.124  0.0000     0.0000   1081.63    619.124  ?       ?       31.863  12.428  0.000000       12.42770  
1 1 1 12  37  0  o 117.148 4.2098  7439.44    534.155  7051.93    756.106  7825.52    754.715  113.826 6.1559  120.095 5.8021  -6.269325      8.459281  
1 1 1 12  37  1  o 175.743 5.6992  16757.26   1084.83  17786.22   1754.56  16120.46   1380.29  180.811 8.9593  172.262 7.3980  8.549347       11.61889  
1 1 1 12  37  2  o 29.177  6.3677  480.131    195.578  601.438    278.067  361.370    275.134  32.618  7.9446  26.210  8.4887  6.407679       11.62643  
1 1 1 12  37  3  o 214.563 5.7776  24982.12   1342.67  25335.92   1898.39  24627.99   1899.25  215.863 8.1196  212.814 8.2397  3.049835       11.56814  
1 1 1 12  37  4  o 83.378  4.0428  3768.68    365.094  3496.89    513.837  4045.80    518.840  80.046  5.9697  86.169  5.5894  -6.122871      8.177922  
1 1 1 12  37  5  o 116.118 4.2059  7310.42    528.965  7613.55    747.454  7006.29    748.686  118.438 5.8267  113.440 6.1161  4.998001       8.447304  
1 1 1 12  37  6  o 186.631 5.2563  18898.58   1062.51  18463.50   1502.83  19333.41   1502.40  184.286 7.5292  188.594 7.3551  -4.308090      10.52546  
1 1 1 12  37  7  o 317.019 7.8790  54670.06   2705.37  52908.15   3826.80  56430.43   3825.13  311.123 11.356  321.407 10.988  -10.28384      15.80193  
1 1 1 12  37  8  o 144.207 4.5597  11279.68   712.179  11370.95   1008.98  11189.06   1005.38  144.675 6.4390  143.512 6.4680  1.163803       9.126657  
1 1 1 12  37  9  o 120.050 2.8171  7809.88    366.303  8558.06    766.718  7588.60    416.968  125.549 5.6384  118.325 3.2535  7.224037       6.509737  
1 1 1 12  37  10 o 232.954 4.6638  29444.07   1176.74  29813.61   3081.75  29381.00   1273.22  232.809 12.265  232.666 5.0524  0.1426392      13.26474  
1 1 1 12  37  11 o 140.583 3.1793  10713.41   484.101  9429.76    997.916  11108.46   553.604  131.461 7.0340  143.134 3.5710  -11.67303      7.888565  
1 1 1 12  37  12 o 72.538  2.7915  2851.86    219.320  2979.50    491.714  2820.17    245.045  73.765  6.2123  72.126  3.1368  1.639114       6.959332  
1 1 1 12  37  13 o 249.163 4.7868  33713.61   1291.82  33921.93   2432.07  33631.75   1524.68  249.058 9.0158  248.724 5.6597  0.3346405      10.64503  
1 1 1 12  37  14 o 350.134 6.0579  66737.04   2297.34  65991.39   4602.34  66984.48   2651.27  345.387 12.303  350.484 6.9842  -5.096802      14.14696  
1 1 1 12  37  15 o 268.192 4.9994  39122.52   1452.23  40955.02   2723.10  38394.19   1716.74  272.982 9.2100  265.437 5.9714  7.544403       10.97640  
1 1 1 12  37  16 o 159.683 3.3254  13843.17   575.133  14730.61   1160.17  13554.03   662.233  164.144 6.5257  157.937 3.8713  6.206406       7.587584  
1 1 1 12  37  17 o 77.411  2.8965  3253.05    242.852  3518.89    490.993  3166.95    279.424  80.040  5.7010  76.347  3.3791  3.693047       6.627162  
1 1 1 12  37  18 o 20.049  7.0579  195.854    190.318  -16.5163   351.320  284.063    226.418  20.398  8.7824  23.209  7.7103  -2.810509      11.68673  
1 1 1 12  37  19 o 120.613 3.1131  7912.88    406.681  8349.19    844.728  7781.24    463.992  122.884 6.3686  119.520 3.5843  3.363487       7.307948  
1 1 1 12  37  20 o 20.011  1.2708  217.930    27.402   -30.3310   429.436  218.945    27.458   22.177  9.6285  20.058  1.2704  2.118740       9.711926  
1 1 1 12  37  21 o 21.496  7.3938  239.477    208.261  424.104    439.098  185.889    236.562  29.135  10.661  20.705  7.7789  8.429787       13.19750  
1 1 1 12  37  22 o 110.048 3.4168  6616.85    407.264  8018.17    773.664  6079.68    479.004  120.072 5.9490  105.249 4.2019  14.82257       7.283295  
1 1 1 12  37  23 o 33.464  6.6799  651.206    233.632  933.009    461.633  554.172    270.885  38.851  10.652  30.539  8.0686  8.311642       13.36304  
1 1 1 12  37  24 o 139.320 3.9334  10689.82   593.543  11124.02   1037.43  10478.54   723.686  139.768 6.8530  137.330 4.8653  2.437820       8.404491  
1 1 1 12  37  25 o 87.827  4.0779  4266.98    387.910  4232.70    658.253  4285.21    480.138  85.364  7.1863  87.367  5.0961  -2.002617      8.809815  
1 1 1 12  37  26 o 23.210  2.1971  296.540    54.575   519.198    460.531  293.369    54.962   29.473  10.897  23.079  2.2263  6.393927       11.12165  
1 1 1 12  37  27 o 50.226  2.8087  1394.22    152.182  1972.95    524.326  1340.98    159.028  55.145  9.0957  49.185  2.9995  5.959961       9.577520  
1 1 1 12  37  28 o 27.306  8.5292  501.255    279.907  238.354    475.420  640.733    346.286  23.677  10.205  30.156  9.4978  -6.479362      13.94110  
1 1 1 12  37  29 o 21.144  9.1312  169.671    382.130  0.0000     0.0000   169.671    382.130  ?       ?       21.144  9.1312  0.000000       9.131232  
1 1 1 12  37  30 o 17.339  8.2188  -204.6340  413.342  0.0000     0.0000   -204.6340  413.342  ?       ?       17.339  8.2188  0.000000       8.218779  
1 1 1 12  37  31 o 25.107  10.650  501.208    503.035  0.0000     0.0000   501.208    503.035  ?       ?       25.107  10.650  0.000000       10.65046  
1 1 1 12  38  0  o 71.095  4.0924  2749.02    313.796  2658.29    444.891  2838.85    442.666  69.737  5.9469  72.108  5.7147  -2.371017      8.247588  
1 1 1 12  38  1  o 181.977 5.7239  17968.81   1128.17  17557.48   1833.33  18219.51   1431.26  179.333 9.4723  183.137 7.2156  -3.804489      11.90751  
1 1 1 12  38  2  f 345.281 8.4444  64843.02   3157.99  68136.43   4467.51  61553.83   4464.64  353.247 11.677  335.604 12.283  17.64349       16.94712  
1 1 1 12  38  3  o 374.933 10.266  76628.68   4168.93  67026.27   7506.31  80911.78   5013.21  346.944 20.061  384.801 12.028  -37.85724      23.39083  
1 1 1 12  38  4  o 230.174 6.0443  28759.03   1506.86  24926.94   2129.44  32602.49   2132.60  213.961 9.1888  244.851 8.0415  -30.88957      12.21068  
1 1 1 12  38  5  o 92.342  4.0450  4622.88    404.561  4396.61    570.773  4851.33    573.508  89.805  5.9009  94.379  5.6361  -4.574211      8.160022  
1 1 1 12  38  6  o 220.987 5.9035  26511.57   1413.03  25573.38   1998.79  27448.88   1997.85  216.757 8.5138  224.604 8.2125  -7.847137      11.82921  
1 1 1 12  38  7  o 398.767 9.5929  86696.79   4143.21  92188.05   5861.69  81214.14   5857.09  409.974 13.201  384.472 14.065  25.50259       19.28959  
1 1 1 12  38  8  o 223.562 5.9556  27141.01   1442.08  26825.38   2041.15  27455.57   2037.68  221.944 8.4910  224.552 8.3781  -2.608353      11.92859  
1 1 1 12  38  9  o 185.880 3.4859  18729.98   701.800  22097.41   1425.68  17653.04   806.248  201.649 6.5276  180.421 4.1258  21.22762       7.722211  
1 1 1 12  38  10 o 79.324  2.6288  3409.69    225.858  3463.35    518.033  3397.09    250.967  79.612  6.0530  79.171  2.9267  0.4411011      6.723430  
1 1 1 12  38  11 o 214.608 4.0765  24982.96   947.541  25932.14   1915.40  24675.41   1090.30  218.118 8.1077  213.223 4.7211  4.895416       9.382049  
1 1 1 12  38  12 o 244.844 4.7220  32543.64   1252.25  32646.03   2363.69  32503.69   1476.48  244.473 8.9267  244.578 5.5736  -0.1051025     10.52382  
1 1 1 12  38  13 o 142.974 3.2213  11084.74   498.845  11303.67   1019.74  11015.87   571.954  144.086 6.5343  142.499 3.7058  1.586487       7.511956  
1 1 1 12  38  14 o 95.268  2.7854  4920.87    287.418  4328.94    569.709  5122.96    332.886  88.976  5.9459  97.189  3.1623  -8.212410      6.734528  
1 1 1 12  38  15 o 67.648  2.9378  2482.24    215.250  2750.95    458.041  2406.08    243.854  70.783  6.0321  66.498  3.3971  4.284576       6.922911  
1 1 1 12  38  16 o 38.621  3.8302  818.479    158.105  757.135    341.881  835.167    178.319  36.347  8.7823  38.951  4.2983  -2.604103      9.777748  
1 1 1 12  38  17 o 19.189  6.3297  192.775    152.695  0.0000     0.0000   192.775    152.695  ?       ?       19.189  6.3297  0.000000       6.329745  
1 1 1 12  38  18 o 149.398 3.8271  12155.88   619.282  13250.99   1096.48  11642.92   750.432  155.150 6.5250  145.990 4.7459  9.159317       8.068381  
1 1 1 12  38  19 o 73.024  3.2007  2901.74    253.153  2613.01    535.730  2984.75    287.246  68.233  7.3659  74.017  3.5831  -5.783310      8.191110  
1 1 1 12  38  20 o 121.455 3.1924  8033.73    419.952  7863.69    868.744  8085.59    479.726  118.820 6.7785  121.744 3.6381  -2.924622      7.693137  
1 1 1 12  38  21 o 50.070  2.3845  1362.82    129.315  1749.31    498.147  1334.90    133.905  54.908  8.6636  49.482  2.5067  5.426395       9.018925  
1 1 1 12  38  22 o 20.671  7.0191  225.653    187.596  -155.8028  439.368  310.696    207.456  20.746  9.3320  23.482  7.3442  -2.736912      11.87529  
1 1 1 12  38  23 o 56.799  4.2593  1786.55    260.121  1423.81    519.054  1908.20    300.591  48.192  10.259  58.547  4.7820  -10.35498      11.31875  
1 1 1 12  38  24 o 30.218  2.3362  500.478    75.869   731.511    467.507  494.229    76.888   34.304  11.061  30.020  2.3843  4.283104       11.31470  
1 1 1 12  38  25 o 61.723  4.2621  2121.25    283.184  2405.61    545.860  2016.54    331.246  63.602  8.1084  59.791  5.1657  3.810738       9.614087  
1 1 1 12  38  26 o 38.835  6.3292  888.474    257.053  1022.12    490.966  838.004    301.711  38.887  11.106  36.974  7.7803  1.912521       13.55977  
1 1 1 12  38  27 o 25.563  8.3990  415.805    268.948  624.227    478.751  319.702    325.093  30.029  11.108  23.737  9.0721  6.291950       14.34222  
1 1 1 12  38  28 o 33.207  7.5981  715.665    267.361  37.168     485.636  1010.75    320.265  21.557  9.7432  39.516  7.7598  -17.95929      12.45567  
1 1 1 12  38  29 o 24.157  9.8546  365.143    407.167  0.0000     0.0000   365.143    407.167  ?       ?       24.157  9.8546  0.000000       9.854647  
1 1 1 12  38  30 o 25.416  10.201  488.696    428.395  0.0000     0.0000   488.696    428.395  ?       ?       25.416  10.201  0.000000       10.20128  
1 1 1 12  38  31 o 25.221  10.461  510.192    468.862  0.0000     0.0000   510.192    468.862  ?       ?       25.221  10.461  0.000000       10.46088  
1 1 1 12  39  0  o 211.812 5.7161  24344.22   1311.35  25194.53   1855.43  23495.54   1853.65  215.281 7.9573  207.867 8.2332  7.413284       11.45012  
1 1 1 12  39  1  o 136.591 4.6625  10117.18   689.780  9962.04    1035.59  10240.90   924.781  135.237 7.0948  137.353 6.2163  -2.115372      9.432827  
1 1 1 12  39  2  o 230.628 6.1133  28871.75   1527.06  27097.61   2162.79  30635.42   2156.39  223.135 8.9491  237.325 8.3891  -14.19057      12.26629  
1 1 1 12  39  3  o 44.548  5.0898  1090.50    241.179  1079.01    332.298  1103.30    350.595  43.993  7.2247  44.444  7.5534  -0.4512138     10.45230  
1 1 1 12  39  4  o 234.453 6.9837  29864.50   1773.43  28673.81   3025.85  30487.51   2188.76  228.646 12.263  236.697 8.5376  -8.051224      14.94237  
1 1 1 12  39  5  f 174.675 5.6922  16560.15   1076.92  17537.66   1735.55  15948.14   1373.27  179.466 8.9286  171.285 7.4023  8.180328       11.59802  
1 1 1 12  39  6  o 98.020  4.0865  5209.44    433.853  4862.37    612.643  5558.60    614.482  94.443  6.0206  101.041 5.6373  -6.598450      8.247839  
1 1 1 12  39  7  o 125.829 4.3364  8586.39    590.983  8428.27    836.191  8744.21    835.362  124.573 6.1974  126.894 6.0781  -2.320297      8.680490  
1 1 1 12  39  8  o 109.200 4.1655  6466.61    492.669  6341.36    699.187  6590.13    694.317  107.891 6.0071  110.010 5.8481  -2.119041      8.383652  
1 1 1 12  39  9  o 258.000 5.1501  36128.52   1439.14  38487.82   2504.33  34965.25   1758.49  265.742 8.7008  253.659 6.4006  12.08339       10.80149  
1 1 1 12  39  10 o 186.690 3.5685  18896.96   721.570  21338.99   1471.30  18123.58   827.982  198.075 6.8581  182.790 4.1821  15.28448       8.032652  
1 1 1 12  39  11 o 102.059 2.8924  5645.60    319.731  4039.54    683.357  6095.72    361.772  85.810  7.4257  106.041 3.1499  -20.23056      8.066177  
1 1 1 12  39  12 o 294.691 5.2210  47173.84   1666.43  48803.51   3341.52  46634.37   1922.57  298.411 10.339  292.846 6.0614  5.565002       11.98440  
1 1 1 12  39  13 o 202.298 3.9039  22207.15   855.394  22630.82   1727.70  22069.57   984.533  203.604 7.8345  201.603 4.5088  2.000778       9.039303  
1 1 1 12  39  14 f 193.721 3.7546  20368.50   787.798  21852.89   1589.83  19885.39   906.980  200.030 7.3381  191.333 4.3766  8.696487       8.544160  
1 1 1 12  39  15 o 191.944 3.6884  20005.70   766.801  21597.21   1545.39  19485.88   883.193  198.691 7.1811  189.342 4.3066  9.349228       8.373472  
1 1 1 12  39  16 o 76.687  2.8268  3191.23    234.796  2834.22    488.489  3298.49    267.754  71.707  6.3554  77.945  3.1716  -6.237976      7.102861  
1 1 1 12  39  17 o 28.644  4.8266  459.698    144.418  395.810    313.197  476.951    162.754  27.304  9.0681  29.093  5.3626  -1.788517      10.53511  
1 1 1 12  39  18 o 82.597  3.5650  3713.59    318.928  3814.46    583.193  3670.55    380.937  82.967  6.5430  81.910  4.3090  1.056999       7.834408  
1 1 1 12  39  19 o 212.366 4.7231  24686.96   1086.38  24957.82   1892.15  24553.76   1326.88  211.212 8.2712  211.221 5.8000  -0.8728027E-02 10.10208  
1 1 1 12  39  20 o 111.471 3.0306  6764.50    365.894  8732.59    776.912  6203.55    414.773  125.821 5.7010  106.636 3.5912  19.18475       6.737765  
1 1 1 12  39  21 o 60.560  3.6593  2011.34    238.894  2531.74    522.553  1873.84    268.607  66.801  7.3435  58.308  4.2832  8.493088       8.501323  
1 1 1 12  39  22 o 67.081  2.5967  2450.22    188.667  3440.47    552.254  2319.37    200.745  78.096  6.5904  65.231  2.8413  12.86596       7.176833  
1 1 1 12  39  23 o 19.705  7.6172  156.843    230.983  -189.3727  438.076  290.158    271.841  20.183  9.1745  23.627  8.4225  -3.443933      12.45431  
1 1 1 12  39  24 o 23.397  7.7546  308.570    229.076  656.486    455.773  190.974    264.977  32.752  10.942  21.127  8.1609  11.62405       13.64977  
1 1 1 12  39  25 o 46.007  5.6287  1209.82    274.630  526.505    593.853  1395.72    309.741  31.148  12.165  49.328  5.9154  -18.18011      13.52708  
1 1 1 12  39  26 o 58.954  4.6592  1963.66    295.081  2137.24    546.066  1892.07    350.693  58.547  8.8909  57.264  5.7312  1.282650       10.57798  
1 1 1 12  39  27 o 73.809  4.0320  3075.79    321.110  2618.18    612.612  3249.15    377.060  62.966  9.2592  75.371  4.6414  -12.40510      10.35740  
1 1 1 12  39  28 o 31.733  9.3259  709.354    341.755  0.0000     0.0000   709.354    341.755  ?       ?       31.733  9.3259  0.000000       9.325912  
1 1 1 12  39  29 o 22.449  9.5390  253.936    404.669  0.0000     0.0000   253.936    404.669  ?       ?       22.449  9.5390  0.000000       9.539006  
1 1 1 12  39  30 o 18.915  8.6996  -12.1111   409.432  0.0000     0.0000   -12.1111   409.432  ?       ?       18.915  8.6996  0.000000       8.699574  
1 1 1 12  39  31 o 19.107  8.9803  -72.5159   474.642  0.0000     0.0000   -72.5159   474.642  ?       ?       19.107  8.9803  0.000000       8.980289  
1 1 1 12  40  0  o 164.577 5.4638  14695.29   973.944  13987.69   1252.95  15775.58   1548.14  160.456 7.2095  170.306 8.3929  -9.849716      11.06423  
1 1 1 12  40  1  o 99.888  4.0586  5408.93    439.095  5506.84    624.274  5313.06    617.727  100.572 5.7549  98.776  5.7994  1.795700       8.170157  
1 1 1 12  40  2  o 291.687 7.3045  46233.55   2307.68  50286.59   3264.75  42186.42   3262.37  303.767 9.9229  278.061 10.832  25.70596       14.69025  
1 1 1 12  40  3  o 284.490 7.1757  43978.66   2211.07  46369.02   3127.55  41590.22   3126.29  291.674 9.9000  276.134 10.453  15.54013       14.39703  
1 1 1 12  40  4  o 352.968 8.6485  67810.92   3306.32  65688.63   4676.10  69932.73   4675.59  346.464 12.461  357.595 12.072  -11.13144      17.34959  
1 1 1 12  40  5  o 419.869 10.124  96155.55   4604.03  90669.61   6511.17  101641.20  6511.00  406.071 14.804  430.295 13.970  -24.22348      20.35535  
1 1 1 12  40  6  o 138.040 4.4894  10334.48   671.212  10346.14   949.689  10322.83   948.785  138.016 6.3530  137.861 6.3542  0.1556244      8.985339  
1 1 1 12  40  7  f 336.825 8.2815  61761.69   3021.22  63747.93   4274.55  59778.98   4270.75  341.355 11.562  330.449 11.932  10.90604       16.61481  
1 1 1 12  40  8  f 199.386 5.5055  21581.58   1188.95  20795.51   1682.98  22364.75   1679.88  195.464 7.9496  202.742 7.6500  -7.278656      11.03262  
1 1 1 12  40  9  o 199.184 4.1832  21518.33   902.479  23339.73   1578.45  20633.76   1100.01  207.156 7.0350  194.966 5.2092  12.19043       8.753642  
1 1 1 12  40  10 o 229.443 4.1814  28557.01   1039.11  29299.12   2100.22  28316.46   1195.72  231.828 8.3643  228.411 4.8333  3.417145       9.660319  
1 1 1 12  40  11 o 214.111 4.0653  24869.34   942.757  25320.60   1907.03  24723.39   1084.55  215.484 8.1710  213.421 4.6918  2.062424       9.422212  
1 1 1 12  40  12 o 158.522 3.4525  13628.04   592.787  11704.66   1211.45  14233.54   679.720  146.308 7.6716  161.976 3.8744  -15.66800      8.594450  
1 1 1 12  40  13 o 83.204  2.5587  3752.46    230.582  4098.79    550.772  3678.86    253.903  86.591  5.9079  82.375  2.8458  4.216171       6.557539  
1 1 1 12  40  14 o 128.547 3.0148  8962.45    419.752  10097.79   861.002  8608.48    480.753  136.162 5.8382  125.948 3.5242  10.21391       6.819413  
1 1 1 12  40  15 o 141.012 3.0832  10790.08   470.902  12834.94   962.074  10145.83   540.011  153.406 5.7902  136.683 3.6477  16.72318       6.843438  
1 1 1 12  40  16 o 87.326  2.6108  4137.26    246.937  4622.26    553.273  4016.61    275.946  91.839  5.5887  86.021  2.9618  5.818718       6.324999  
1 1 1 12  40  17 o 42.565  1.9686  982.468    90.759   947.512    348.509  985.011    94.002   40.678  8.1935  42.618  2.0364  -1.940350      8.442750  
1 1 1 12  40  18 o 45.851  2.1019  1140.65    104.386  874.731    439.024  1156.58    107.468  38.654  10.300  46.169  2.1491  -7.514290      10.52200  
1 1 1 12  40  19 o 32.481  6.1139  600.005    207.196  599.439    418.915  600.188    238.397  32.597  10.466  32.304  7.0146  0.2934647      12.59912  
1 1 1 12  40  20 o 103.946 3.1510  5885.81    354.754  5277.41    717.822  6082.43    408.072  97.146  6.8664  105.581 3.5685  -8.435242      7.738325  
1 1 1 12  40  21 o 40.735  2.3310  904.928    102.417  1177.94    479.107  891.856    104.840  44.269  10.202  40.429  2.4051  3.840199       10.48135  
1 1 1 12  40  22 o 17.942  7.2882  85.129     221.519  296.837    438.775  12.710     256.624  26.677  10.446  17.684  7.5572  8.993258       12.89330  
1 1 1 12  40  23 o 27.992  7.6180  463.959    237.138  622.604    454.797  404.723    277.906  32.392  10.929  26.499  8.5260  5.892508       13.86154  
1 1 1 12  40  24 o 5.1048  2.4417  -52.7225   38.204   301.759    453.632  -55.2548   38.341   26.474  10.541  5.0576  2.4263  21.41595       10.81658  
1 1 1 12  40  25 o 34.882  6.7702  720.406    246.561  768.264    480.371  703.288    287.291  34.513  11.219  33.982  7.9474  0.5315285      13.74903  
1 1 1 12  40  26 o 23.545  8.0417  325.628    246.253  197.975    469.221  374.152    289.295  24.354  10.306  25.072  8.7091  -0.7173882     13.49321  
1 1 1 12  40  27 o 17.132  7.3922  42.562     250.002  52.268     472.881  38.796     294.528  21.837  9.7625  18.191  7.9350  3.646189       12.58059  
1 1 1 12  40  28 o 31.733  8.8731  696.867    316.867  0.0000     0.0000   696.867    316.867  ?       ?       31.733  8.8731  0.000000       8.873142  
1 1 1 12  40  29 o 27.222  10.704  567.719    462.375  0.0000     0.0000   567.719    462.375  ?       ?       27.222  10.704  0.000000       10.70412  
1 1 1 12  40  30 o 23.407  9.8190  362.614    419.938  0.0000     0.0000   362.614    419.938  ?       ?       23.407  9.8190  0.000000       9.818952  
1 1 1 12  41  0  o 194.443 5.3989  20513.09   1137.02  20534.23   1608.74  20491.99   1607.24  194.362 7.6420  194.162 7.6427  0.2001038      10.80789  
1 1 1 12  41  1  o 277.847 7.0471  41941.29   2120.74  41199.64   3000.02  42682.11   2998.34  274.921 10.075  279.856 9.8918  -4.935303      14.11931  
1 1 1 12  41  2  o 278.616 6.9634  42172.51   2101.34  38662.54   2967.62  45702.05   2975.88  266.271 10.290  289.648 9.4858  -23.37756      13.99515  
1 1 1 12  41  3  o 366.264 8.9330  73037.76   3543.74  74196.81   5012.05  71879.12   5011.17  368.200 12.568  362.342 12.769  5.857605       17.91628  
1 1 1 12  41  4  o 250.490 6.4908  34078.84   1760.99  33970.00   2490.86  34187.61   2489.97  249.723 9.2092  250.527 9.1763  -0.8038025     13.00053  
1 1 1 12  41  5  o 143.925 4.5856  11234.82   714.830  11091.30   1010.77  11378.43   1011.08  142.893 6.5309  144.736 6.4497  -1.843231      9.178812  
1 1 1 12  41  6  o 227.484 7.0098  28127.54   1727.14  29664.63   2940.61  27318.04   2134.01  232.573 11.711  223.952 8.7977  8.620972       14.64761  
1 1 1 12  41  7  o 190.470 5.3421  19690.49   1102.06  18234.88   1558.74  21145.36   1558.35  183.058 7.8617  197.192 7.2963  -14.13385      10.72579  
1 1 1 12  41  8  o 189.998 5.3305  19595.65   1096.95  19559.47   1553.46  19631.64   1549.21  189.597 7.5648  189.950 7.5301  -0.3535614     10.67373  
1 1 1 12  41  9  o 171.824 5.0107  16024.51   932.499  16172.50   1321.11  15877.56   1316.41  172.423 7.0741  170.839 7.1143  1.583862       10.03280  
1 1 1 12  41  10 o 110.648 2.7392  6635.10    328.272  7335.44    710.487  6445.02    370.150  116.201 5.6452  109.039 3.1342  7.162102       6.456858  
1 1 1 12  41  11 o 157.343 3.3558  13423.38   571.895  13203.83   1175.21  13491.51   654.637  155.740 6.9670  157.713 3.8323  -1.972794      7.951432  
1 1 1 12  41  12 o 377.155 6.4531  77432.84   2636.09  79083.16   5285.18  76886.32   3041.41  378.244 12.901  375.490 7.4783  2.753235       14.91165  
1 1 1 12  41  13 o 212.697 4.0976  24559.79   943.985  24950.63   1906.09  24432.77   1086.60  213.591 8.2393  212.060 4.7309  1.530899       9.500896  
1 1 1 12  41  14 o 38.045  3.5049  792.185    142.799  646.018    354.301  820.534    156.034  33.770  9.3614  38.694  3.7711  -4.924065      10.09245  
1 1 1 12  41  15 o 122.463 2.9629  8137.88    393.006  7961.42    807.865  8192.59    449.821  120.569 6.2074  122.838 3.3809  -2.268257      7.068406  
1 1 1 12  41  16 o 203.660 3.8292  22555.78   844.656  24323.96   1701.50  21977.55   973.014  210.270 7.4711  200.880 4.4721  9.389160       8.707288  
1 1 1 12  41  17 o 173.424 3.4414  16357.18   646.417  20181.40   1325.92  15164.84   740.362  191.638 6.3880  166.835 4.0972  24.80309       7.589015  
1 1 1 12  41  18 o 34.677  6.7328  685.637    243.755  595.748    419.639  731.410    299.454  32.624  10.475  35.591  7.9669  -2.967064      13.16035  
1 1 1 12  41  19 o 147.199 3.7828  11819.75   603.103  12710.28   1063.23  11397.29   732.316  151.587 6.4758  144.265 4.6867  7.321915       7.993852  
1 1 1 12  41  20 o 100.970 2.9875  5551.60    326.715  5963.68    697.699  5435.86    369.762  103.519 6.2520  99.827  3.4198  3.692337       7.126196  
1 1 1 12  41  21 o 27.096  6.9685  426.687    205.661  253.583    432.147  477.372    233.840  26.031  10.312  28.600  7.4680  -2.568710      12.73255  
1 1 1 12  41  22 o 29.930  1.0107  485.547    32.764   -175.7671  437.081  489.284    32.857   20.403  9.2307  30.045  1.0097  -9.641417      9.285735  
1 1 1 12  41  23 o 21.546  7.5691  242.497    218.806  392.174    449.291  195.960    250.522  28.125  10.685  21.019  7.9804  7.105522       13.33636  
1 1 1 12  41  24 o 77.795  3.6278  3329.60    305.674  4039.32    608.553  3090.11    353.505  83.855  6.7577  74.551  4.3974  9.303574       8.062515  
1 1 1 12  41  25 o 34.280  7.1828  704.606    258.150  506.797    478.569  785.783    306.578  29.668  11.080  35.840  8.0896  -6.171957      13.71905  
1 1 1 12  41  26 o 76.652  3.8313  3272.68    318.078  2975.83    618.549  3379.39    370.871  69.208  8.4256  77.411  4.4419  -8.202599      9.524777  
1 1 1 12  41  27 o 92.318  3.6292  4774.72    362.887  4004.49    701.463  5056.18    424.039  78.905  8.3339  94.525  4.1418  -15.61948      9.306397  
1 1 1 12  41  28 o 20.033  8.8558  69.724     378.170  0.0000     0.0000   69.724     378.170  ?       ?       20.033  8.8558  0.000000       8.855845  
1 1 1 12  41  29 o 21.639  9.3302  208.849    397.672  0.0000     0.0000   208.849    397.672  ?       ?       21.639  9.3302  0.000000       9.330174  
1 1 1 12  41  30 o 31.228  10.647  831.693    431.638  0.0000     0.0000   831.693    431.638  ?       ?       31.228  10.647  0.000000       10.64681  
1 1 1 12  42  0  o 286.167 8.3420  44549.45   2585.58  45017.08   3144.93  43574.15   4541.85  287.363 10.104  281.234 14.964  6.128510       18.05639  
1 1 1 12  42  1  o 225.851 5.9836  27689.04   1463.72  28831.62   2071.73  26550.24   2068.31  230.213 8.3087  220.876 8.6456  9.337112       11.99088  
1 1 1 12  42  2  o 157.096 5.2861  13390.12   899.438  14132.50   1405.80  12875.61   1170.33  161.193 8.0520  153.939 7.0192  7.254822       10.68198  
1 1 1 12  42  3  o 77.309  3.3014  3239.08    276.436  3136.04    333.429  3465.63    494.391  75.946  4.0683  79.699  5.7662  -3.752823      7.056925  
1 1 1 12  42  4  o 280.764 8.0784  42886.15   2456.60  39915.09   4299.75  44325.97   2993.24  269.022 14.814  285.151 9.6916  -16.12878      17.70231  
1 1 1 12  42  5  o 245.596 6.3526  32761.31   1689.83  36257.60   2392.12  29278.68   2387.45  258.059 8.5584  231.752 9.5113  26.30705       12.79500  
1 1 1 12  42  6  o 270.155 6.8733  39666.40   2011.16  41624.62   2846.10  37713.40   2842.30  276.291 9.5107  262.899 9.9819  13.39206       13.78738  
1 1 1 12  42  7  o 269.938 8.1584  39670.33   2385.27  42792.66   4168.98  38150.80   2908.33  278.993 13.796  264.333 10.158  14.65942       17.13278  
1 1 1 12  42  8  o 122.523 4.3104  8142.67    572.016  8270.11    811.867  8017.05    806.070  123.382 6.0752  121.320 6.1545  2.061935       8.647923  
1 1 1 12  42  9  o 31.499  6.7462  560.170    223.222  488.729    322.665  625.747    309.138  29.891  9.1282  33.254  8.5389  -3.362614      12.49942  
1 1 1 12  42  10 o 22.828  1.6660  283.808    40.908   271.100    44.680   349.689    101.730  22.292  1.8677  25.101  3.8660  -2.809050      4.293503  
1 1 1 12  42  11 o 150.789 3.2092  12327.77   524.135  13316.00   1083.42  12025.81   598.881  156.447 6.3938  148.902 3.7134  7.545502       7.393889  
1 1 1 12  42  12 o 201.296 3.8598  21986.26   841.532  23639.66   1709.52  21457.46   966.780  208.154 7.5826  198.793 4.4901  9.361252       8.812326  
1 1 1 12  42  13 o 143.459 3.1188  11162.11   484.602  12352.90   999.947  10796.59   554.008  150.593 6.1306  141.053 3.6263  9.540405       7.122780  
1 1 1 12  42  14 o 62.840  2.8436  2141.80    193.539  2256.08    438.491  2114.15    215.684  63.981  6.4140  62.338  3.2053  1.642834       7.170307  
1 1 1 12  42  15 o 130.624 2.9621  9259.82    419.077  11423.83   862.932  8591.91    479.408  144.714 5.5055  125.771 3.5193  18.94347       6.534188  
1 1 1 12  42  16 o 83.706  2.7928  3803.51    253.204  3335.77    530.599  3941.43    288.127  77.759  6.3557  85.185  3.1228  -7.426872      7.081429  
1 1 1 12  42  17 o 76.020  2.9491  3139.98    242.822  2750.72    560.814  3229.79    269.382  70.153  7.4969  77.075  3.2269  -6.921654      8.161858  
1 1 1 12  42  18 o 107.664 3.6095  6314.58    420.906  6481.65    743.457  6235.77    510.620  108.232 6.3701  106.835 4.4128  1.396729       7.749285  
1 1 1 12  42  19 o 142.020 3.9724  11014.40   611.048  10108.77   1045.96  11483.62   752.884  134.610 7.2002  144.737 4.8026  -10.12706      8.654958  
1 1 1 12  42  20 o 143.858 3.3680  11288.53   524.775  11605.36   1052.22  11183.63   605.446  144.321 6.7314  143.010 3.9087  1.310608       7.783992  
1 1 1 12  42  21 o 39.043  1.9838  830.041    83.615   817.568    449.093  830.489    85.103   36.825  10.653  39.050  2.0190  -2.225361      10.84281  
1 1 1 12  42  22 o 84.552  3.3798  3910.59    309.517  3240.85    636.081  4118.36    354.291  74.944  7.9580  86.662  3.7745  -11.71841      8.807758  
1 1 1 12  42  23 o 48.538  2.2823  1282.80    119.985  936.969    497.917  1304.12    123.628  38.511  11.239  48.933  2.3326  -10.42221      11.47885  
1 1 1 12  42  24 o 12.025  5.8048  -334.5459  227.578  -369.0423  433.303  -321.4051  267.434  18.214  8.5667  13.627  6.5019  4.587032       10.75462  
1 1 1 12  42  25 o 23.740  7.8782  326.991    236.410  677.305    471.977  209.662    273.146  32.551  11.133  21.451  8.2858  11.09932       13.87798  
1 1 1 12  42  26 o 28.008  8.1420  497.595    261.754  177.587    485.690  628.587    310.743  24.057  10.342  31.108  8.8183  -7.050808      13.59091  
1 1 1 12  42  27 o 21.852  8.0596  279.164    251.650  477.470    479.867  203.939    295.551  27.146  10.831  20.874  8.4397  6.272270       13.73108  
1 1 1 12  42  28 o 41.248  9.3648  1195.19    408.824  0.0000     0.0000   1195.19    408.824  ?       ?       41.248  9.3648  0.000000       9.364758  
1 1 1 12  42  29 o 31.774  10.431  805.708    414.853  0.0000     0.0000   805.708    414.853  ?       ?       31.774  10.431  0.000000       10.43098  
1 1 1 12  42  30 o 30.297  10.534  775.648    423.242  0.0000     0.0000   775.648    423.242  ?       ?       30.297  10.534  0.000000       10.53357  
1 1 1 12  43  0  o 177.080 5.0980  17011.11   977.771  15758.11   1382.95  18263.49   1382.61  170.262 7.4992  183.346 6.9624  -13.08327      10.23294  
1 1 1 12  43  1  o 142.444 4.6856  11004.52   722.901  11892.17   967.104  9880.54    1088.26  148.006 6.0329  134.612 7.4938  13.39336       9.620419  
1 1 1 12  43  2  f 347.194 8.5232  65605.08   3205.12  66050.62   4532.32  65159.38   4533.14  347.516 12.041  345.139 12.126  2.376587       17.08936  
1 1 1 12  43  3  o 144.593 4.8493  11340.95   759.444  11579.62   1006.94  11026.08   1156.57  146.020 6.3668  142.209 7.5358  3.810516       9.865299  
1 1 1 12  43  4  o 151.382 4.6951  12430.18   769.823  12203.45   1088.32  12657.21   1089.06  149.871 6.7046  152.641 6.5874  -2.769455      9.399198  
1 1 1 12  43  5  o 344.952 8.4792  64786.46   3168.01  60531.07   4480.30  69041.65   4480.18  332.409 12.444  355.261 11.643  -22.85287      17.04182  
1 1 1 12  43  6  o 123.478 4.4245  8269.40    591.731  8403.25    853.970  8145.78    820.690  124.211 6.3691  122.305 6.2158  1.905945       8.899522  
1 1 1 12  43  7  o 155.879 4.7698  13183.42   805.300  12778.81   1139.92  13586.54   1137.81  153.315 6.8647  158.105 6.6444  -4.790436      9.553617  
1 1 1 12  43  8  o 209.130 5.6966  23753.16   1290.33  22903.34   1826.82  24599.24   1822.79  205.036 8.2261  212.538 7.9182  -7.502029      11.41786  
1 1 1 12  43  9  o 266.124 6.8022  38525.55   1960.68  39548.54   2775.58  37506.63   2770.06  269.058 9.5244  261.962 9.7629  7.095673       13.63925  
1 1 1 12  43  10 o 287.383 5.0724  44846.14   1578.88  38363.15   3172.14  46981.15   1820.39  264.473 11.074  294.039 5.7160  -29.56512      12.46208  
1 1 1 12  43  11 o 192.212 3.9777  20045.69   828.100  18610.55   2068.37  20319.64   903.688  183.907 10.427  193.490 4.3121  -9.582275      11.28325  
1 1 1 12  43  12 o 210.876 4.0565  24136.43   926.506  23381.54   1873.84  24380.70   1065.92  206.795 8.3661  211.866 4.6451  -5.070831      9.569131  
1 1 1 12  43  13 o 137.503 3.0951  10255.39   460.958  10487.00   953.134  10184.67   526.642  138.697 6.3448  136.994 3.5493  1.703049       7.270048  
1 1 1 12  43  14 o 97.846  2.7958  5193.02    296.291  4712.25    629.859  5329.64    335.760  92.693  6.3113  99.104  3.1280  -6.411385      7.043930  
1 1 1 12  43  15 o 152.093 3.2371  12560.72   533.256  13203.11   1088.53  12357.87   611.684  155.316 6.4707  150.792 3.7452  4.524200       7.476423  
1 1 1 12  43  16 o 135.085 3.1404  9913.57    459.482  10106.56   919.054  9849.26    530.547  135.759 6.2503  134.573 3.6400  1.186264       7.232944  
1 1 1 12  43  17 o 165.391 3.4415  14883.10   616.492  16063.71   1219.22  14477.56   714.572  170.765 6.5919  162.976 4.0481  7.789276       7.735680  
1 1 1 12  43  18 o 74.838  3.1255  3046.93    253.341  3412.82    547.910  2947.44    285.718  78.356  6.5151  73.553  3.5865  4.803329       7.437037  
1 1 1 12  43  19 o 92.258  3.5320  4641.04    352.931  4545.57    642.294  4682.33    422.418  90.314  6.6121  92.534  4.2147  -2.220329      7.841155  
1 1 1 12  43  20 o 76.445  3.3152  3187.34    274.487  3102.11    560.258  3214.27    314.864  74.190  7.0572  76.683  3.7910  -2.492798      8.010991  
1 1 1 12  43  21 o 46.822  4.3347  1214.05    217.333  864.045    446.345  1322.82    248.822  37.756  10.522  48.781  4.7705  -11.02482      11.55276  
1 1 1 12  43  22 o 46.026  1.9180  1151.07    95.611   1293.55    558.530  1146.77    97.043   45.427  11.377  45.937  1.9504  -0.5096550     11.54258  
1 1 1 12  43  23 o 19.589  7.5295  161.012    224.732  54.146     449.834  196.556    259.427  23.095  9.9406  21.183  8.1023  1.911699       12.82427  
1 1 1 12  43  24 o 13.494  6.2471  -159.5850  216.187  -209.7579  444.884  -144.0747  247.356  19.919  9.1271  14.860  6.8076  5.059731       11.38629  
1 1 1 12  43  25 o 67.277  4.0589  2522.37    294.378  2117.40    577.955  2664.23    342.077  58.125  9.5092  68.871  4.6125  -10.74519      10.56886  
1 1 1 12  43  26 f 53.356  2.5147  1562.93    145.326  1431.84    536.883  1573.30    150.962  45.044  11.081  53.507  2.6049  -8.462357      11.38282  
1 1 1 12  43  27 o 41.837  2.8767  973.132    129.562  0.0000     0.0000   973.132    129.562  ?       ?       41.837  2.8767  0.000000       2.876727  
1 1 1 12  43  28 o 20.532  8.9398  123.568    372.311  0.0000     0.0000   123.568    372.311  ?       ?       20.532  8.9398  0.000000       8.939846  
1 1 1 12  43  29 o 18.593  8.5105  -26.1873   385.425  0.0000     0.0000   -26.1873   385.425  ?       ?       18.593  8.5105  0.000000       8.510548  
1 1 1 12  43  30 o 20.332  9.0499  136.465    401.613  0.0000     0.0000   136.465    401.613  ?       ?       20.332  9.0499  0.000000       9.049929  
1 1 1 12  44  0  o 320.984 7.9581  56036.90   2766.70  54195.60   3912.80  57878.02   3912.61  314.939 11.471  325.555 11.096  -10.61652      15.95938  
1 1 1 12  44  1  o 172.702 5.0277  16180.40   940.446  15619.58   1331.74  16738.28   1328.25  169.523 7.2530  175.512 6.9872  -5.988586      10.07112  
1 1 1 12  44  2  o 136.789 4.4241  10147.05   655.465  8477.04    919.966  11868.88   934.132  124.723 6.8362  147.866 5.8327  -23.14261      8.986312  
1 1 1 12  44  3  o 228.836 6.0553  28433.53   1500.83  27707.05   2120.85  29162.28   2124.16  225.582 8.6803  231.459 8.4731  -5.877533      12.13017  
1 1 1 12  44  4  o 81.255  4.1623  3589.43    365.082  3231.10    514.457  3952.96    518.172  76.882  6.2317  85.150  5.6506  -8.267990      8.412126  
1 1 1 12  44  5  o 125.891 4.3885  8595.44    598.381  7836.40    833.486  9402.78    859.594  119.932 6.4400  131.586 6.0314  -11.65360      8.823307  
1 1 1 12  44  6  o 156.740 4.7798  13328.88   811.444  13401.65   1148.32  13256.30   1146.79  157.024 6.7519  156.168 6.7799  0.8561707      9.568427  
1 1 1 12  44  7  o 235.664 7.0701  30204.65   1804.63  29560.80   3082.68  30540.35   2225.91  231.825 12.321  236.716 8.6818  -4.890274      15.07285  
1 1 1 12  44  8  o 88.814  4.1240  4278.40    396.709  4479.88    565.519  4083.18    556.648  90.629  5.7914  86.485  5.9792  4.144104       8.324135  
1 1 1 12  44  9  o 110.396 4.2158  6611.60    504.080  6845.07    717.335  6383.84    708.502  112.076 5.9304  108.207 6.0698  3.869301       8.486003  
1 1 1 12  44  10 o 159.498 3.4115  13794.44   589.340  12870.88   1202.58  14086.34   676.090  153.727 7.2226  161.147 3.8736  -7.420685      8.195799  
1 1 1 12  44  11 o 105.386 2.7664  6020.33    315.767  6835.47    691.932  5805.91    354.875  111.974 5.7244  103.477 3.1664  8.497414       6.541745  
1 1 1 12  44  12 o 100.558 2.7246  5482.05    296.747  5887.76    646.331  5373.69    334.035  103.859 5.7684  99.543  3.0982  4.315643       6.547749  
1 1 1 12  44  13 o 124.282 2.9877  8377.95    402.171  9611.94    833.111  8003.02    459.221  132.833 5.7906  121.434 3.4915  11.39902       6.761794  
1 1 1 12  44  14 o 168.075 3.4318  15338.08   624.738  15531.88   1270.95  15276.33   717.389  168.456 6.9658  167.666 3.9504  0.7898254      8.008027  
1 1 1 12  44  15 o 17.279  5.5781  158.320    118.878  0.0000     0.0000   158.320    118.878  ?       ?       17.279  5.5781  0.000000       5.578104  
1 1 1 12  44  16 o 58.574  3.0056  1868.64    190.041  1619.98    497.052  1911.21    205.667  53.310  8.9239  59.215  3.2188  -5.905273      9.486648  
1 1 1 12  44  17 o 41.622  3.7726  951.305    168.226  1087.44    438.888  927.859    182.137  43.198  9.6264  41.041  4.1547  2.157444       10.48473  
1 1 1 12  44  18 o 61.138  3.3631  2041.28    221.845  1840.87    494.368  2091.81    248.243  56.844  8.2723  61.834  3.7240  -4.990833      9.071900  
1 1 1 12  44  19 o 138.676 3.6651  10494.60   550.499  11406.47   987.331  10083.24   663.144  143.482 6.3532  135.664 4.5131  7.818176       7.793054  
1 1 1 12  44  20 f 111.407 3.1377  6765.55    378.609  7121.56    770.886  6652.37    434.642  113.016 6.3230  110.348 3.6366  2.668663       7.294218  
1 1 1 12  44  21 o 47.614  4.1962  1254.04    214.192  1152.21    452.618  1283.43    243.140  43.742  9.7969  48.038  4.7346  -4.295681      10.88096  
1 1 1 12  44  22 o 54.452  4.1202  1640.29    241.200  2134.71    501.611  1491.59    275.090  60.646  7.8186  51.658  4.9783  8.987907       9.269020  
1 1 1 12  44  23 o 44.273  2.3168  1070.70    110.706  1576.36    501.283  1044.77    113.509  50.876  9.4448  43.717  2.4065  7.158897       9.746579  
1 1 1 12  44  24 f 31.625  6.9667  594.681    232.190  843.777    478.509  517.967    265.548  36.224  11.125  29.238  8.1043  6.986553       13.76412  
1 1 1 12  44  25 o 32.574  7.3325  645.791    252.458  241.860    485.551  795.447    295.548  25.443  10.607  36.004  7.8040  -10.56096      13.16843  
1 1 1 12  44  26 o 22.281  7.9978  288.795    245.518  693.049    478.525  144.355    286.036  31.324  11.174  19.883  8.2023  11.44021       13.86119  
1 1 1 12  44  27 o 14.308  6.7714  -236.8778  278.383  0.0000     0.0000   -236.8778  278.383  ?       ?       14.308  6.7714  0.000000       6.771375  
1 1 1 12  44  28 o 19.083  8.7678  -65.0994   414.369  0.0000     0.0000   -65.0994   414.369  ?       ?       19.083  8.7678  0.000000       8.767752  
1 1 1 12  44  29 o 21.248  9.1913  199.518    388.461  0.0000     0.0000   199.518    388.461  ?       ?       21.248  9.1913  0.000000       9.191268  
1 1 1 12  44  30 o 23.780  9.7890  393.217    406.338  0.0000     0.0000   393.217    406.338  ?       ?       23.780  9.7890  0.000000       9.788959  
1 1 1 12  45  0  o 192.620 6.0380  20143.95   1259.69  20201.81   2072.43  20110.04   1586.39  192.219 9.9888  192.313 7.6161  -0.9446716E-01 12.56106  
1 1 1 12  45  1  o 291.090 8.0321  46096.39   2532.35  49363.34   3083.46  39327.09   4438.52  300.964 9.4592  266.825 15.424  34.13919       18.09353  
1 1 1 12  45  2  o 210.154 5.7129  23973.38   1300.36  24935.51   1837.48  23008.10   1840.49  214.098 7.9239  205.617 8.2643  8.481293       11.44930  
1 1 1 12  45  3  o 296.232 7.4366  47715.59   2386.04  47522.85   3373.94  47908.44   3374.80  295.029 10.559  296.232 10.518  -1.203583      14.90359  
1 1 1 12  45  4  o 37.629  6.1327  788.749    241.334  781.655    339.362  796.007    343.268  37.152  8.6030  37.492  8.6318  -0.3401985     12.18690  
1 1 1 12  45  5  o 229.882 6.0902  28702.06   1516.39  28614.71   2145.43  28789.27   2143.56  229.194 8.6425  229.898 8.6086  -0.7032776     12.19837  
1 1 1 12  45  6  o 250.551 6.5054  34115.35   1765.39  32896.38   2497.53  35332.56   2495.74  245.570 9.3900  254.566 9.0517  -8.995834      13.04244  
1 1 1 12  45  7  o 117.626 4.2950  7505.12    547.194  6871.45    774.728  8135.92    772.975  112.259 6.3982  122.386 5.8313  -10.12653      8.656855  
1 1 1 12  45  8  o 174.888 5.0606  16604.33   958.584  17522.21   1359.17  15695.92   1352.14  179.458 6.9926  169.807 7.3519  9.651062       10.14627  
1 1 1 12  45  9  o 131.358 4.4208  9363.10    628.959  9801.64    893.253  8931.89    885.759  134.274 6.1420  128.159 6.3811  6.115341       8.856809  
1 1 1 12  45  10 o 139.898 2.9812  10609.81   451.720  11831.51   935.831  10238.69   515.787  147.516 5.8572  137.404 3.4658  10.11163       6.805740  
1 1 1 12  45  11 o 94.420  2.7417  4832.80    280.386  5285.15    619.614  4716.32    314.420  98.397  5.8401  93.262  3.1127  5.135201       6.617782  
1 1 1 12  45  12 o 100.230 2.7122  5446.72    294.439  6852.08    644.169  5075.56    331.044  112.239 5.2989  96.735  3.1596  15.50365       6.169398  
1 1 1 12  45  13 o 118.139 2.9368  7570.74    375.780  8264.39    790.757  7368.40    427.086  123.123 5.9297  116.518 3.3842  6.604500       6.827452  
1 1 1 12  45  14 o 103.585 2.8414  5821.75    318.791  4692.83    686.643  6131.95    359.934  92.321  6.9171  106.287 3.1266  -13.96603      7.590950  
1 1 1 12  45  15 o 134.049 3.0725  9758.13    446.088  9839.84    918.416  9732.91    510.329  134.011 6.3274  133.818 3.5210  0.1933594      7.241135  
1 1 1 12  45  16 o 81.269  2.7829  3586.82    244.958  4562.78    584.130  3378.57    269.830  91.019  5.9581  78.843  3.1598  12.17609       6.744160  
1 1 1 12  45  17 o 96.886  2.8602  5101.45    300.141  5143.63    660.371  5090.47    336.955  96.423  6.3589  96.737  3.2159  -0.3146439     7.125880  
1 1 1 12  45  18 o 22.637  1.3184  278.702    32.185   272.209    397.953  278.744    32.291   25.986  10.011  22.639  1.3226  3.347462       10.09834  
1 1 1 12  45  19 o 91.054  3.5465  4523.69    349.758  4812.86    636.903  4398.83    418.510  92.951  6.3646  89.629  4.3111  3.321617       7.687257  
1 1 1 12  45  20 f 18.131  6.7636  143.205    178.222  132.601    400.062  145.830    199.066  23.530  9.7028  18.764  7.1163  4.766163       12.03274  
1 1 1 12  45  21 o 68.543  2.6967  2559.42    200.204  1850.39    529.549  2677.66    216.255  56.050  9.0296  70.085  2.8489  -14.03421      9.468334  
1 1 1 12  45  22 o 69.852  3.5669  2681.63    268.958  1847.00    532.372  2967.66    311.656  55.632  9.1538  73.378  3.9358  -17.74600      9.964071  
1 1 1 12  45  23 o 13.817  6.2289  -85.3275   197.028  -12.4187   450.752  -102.5481  219.064  22.244  9.7567  14.418  6.5277  7.826815       11.73898  
1 1 1 12  45  24 o 24.692  7.4535  360.599    216.045  671.212    467.553  276.274    243.612  32.757  11.081  22.612  7.9825  10.14577       13.65709  
1 1 1 12  45  25 o 67.140  2.6783  2471.75    194.766  1460.85    567.159  2606.91    207.378  46.199  11.403  68.919  2.7781  -22.71996      11.73699  
1 1 1 12  45  26 o 5.5809  2.7151  -90.7033   52.350   1086.65    490.807  -104.2516  52.650   38.484  11.138  5.3761  2.6381  33.10802       11.44617  
1 1 1 12  45  27 o 24.296  9.4631  356.075    358.593  0.0000     0.0000   356.075    358.593  ?       ?       24.296  9.4631  0.000000       9.463106  
1 1 1 12  45  28 o 23.047  10.0000 240.206    462.725  0.0000     0.0000   240.206    462.725  ?       ?       23.047  10.0000 0.000000       10.00049  
1 1 1 12  45  29 o 17.849  8.2657  -81.0532   378.872  0.0000     0.0000   -81.0532   378.872  ?       ?       17.849  8.2657  0.000000       8.265709  
1 1 1 12  45  30 o 18.169  8.3997  -48.0157   388.798  0.0000     0.0000   -48.0157   388.798  ?       ?       18.169  8.3997  0.000000       8.399669  
1 1 1 12  46  0  o 187.235 5.8278  19031.22   1181.86  18209.30   1927.26  19526.60   1496.20  182.490 9.7863  189.527 7.2887  -7.037445      12.20231  
1 1 1 12  46  1  o 90.726  4.0811  4463.00    401.036  4079.53    570.969  4836.37    563.407  86.460  6.1370  94.235  5.5444  -7.775200      8.270674  
1 1 1 12  46  2  o 243.227 6.3465  32132.45   1671.93  31729.97   2362.80  32536.07   2366.15  241.334 9.0394  244.397 8.9387  -3.062424      12.71263  
1 1 1 12  46  3  o 204.551 6.1406  22722.95   1360.45  20666.60   2252.74  23903.44   1706.85  194.224 10.751  209.650 7.5167  -15.42639      13.11778  
1 1 1 12  46  4  o 251.342 6.4669  34322.49   1760.47  38255.29   2492.33  30406.36   2487.05  265.007 8.6832  236.087 9.7262  28.92007       13.03825  
1 1 1 12  46  5  o 245.768 6.4092  32819.77   1706.08  32382.94   2413.81  33255.85   2411.73  243.708 9.1446  246.994 9.0151  -3.286209      12.84117  
1 1 1 12  46  6  o 86.680  4.1640  4074.98    390.935  4054.25    553.795  4095.57    551.940  86.187  5.9692  86.633  5.9176  -0.4457092     8.405330  
1 1 1 12  46  7  o 236.277 7.0841  30373.64   1812.92  29624.71   3097.33  30763.93   2235.95  231.932 12.375  237.513 8.6917  -5.580658      15.12199  
1 1 1 12  46  8  o 23.195  7.5770  281.513    218.997  91.851     315.020  458.902    304.657  21.277  8.6726  28.982  8.8731  -7.704891      12.40748  
1 1 1 12  46  9  o 152.453 5.0160  12620.83   828.260  11941.43   1276.99  13114.20   1088.20  147.771 8.0086  155.264 6.4709  -7.493835      10.29613  
1 1 1 12  46  10 o 120.754 2.8787  7904.64    376.508  7974.45    788.748  7884.04    428.476  121.081 6.0144  120.579 3.2808  0.5028610      6.851032  
1 1 1 12  46  11 o 144.731 3.1967  11360.19   501.118  11917.60   1039.82  11191.57   571.914  147.909 6.4907  143.620 3.6766  4.289597       7.459689  
1 1 1 12  46  12 o 207.300 3.8815  23330.65   871.494  25094.29   1767.16  22763.88   1001.79  214.229 7.6160  204.675 4.5190  9.553864       8.855781  
1 1 1 12  46  13 o 288.415 5.1750  45295.82   1616.60  45889.01   3249.14  45100.66   1863.65  287.903 10.420  287.528 5.9843  0.3749390      12.01585  
1 1 1 12  46  14 o 291.769 5.0312  46394.59   1589.94  51567.47   3195.62  44692.82   1832.91  305.022 9.6728  286.023 5.9166  18.99902       11.33886  
1 1 1 12  46  15 o 95.602  2.6656  4960.65    276.014  6692.90    672.768  4610.08    302.658  110.483 5.6409  92.132  3.0330  18.35046       6.404610  
1 1 1 12  46  16 o 38.205  1.8158  791.443    75.136   1209.14    439.558  778.872    76.258   45.768  9.1864  37.899  1.8578  7.869129       9.372378  
1 1 1 12  46  17 o 39.483  1.7319  845.355    74.063   603.139    433.138  852.651    75.170   32.861  10.652  39.652  1.7503  -6.790932      10.79446  
1 1 1 12  46  18 o 73.513  3.0497  2940.75    242.825  2866.85    542.755  2959.24    271.514  71.504  7.1021  73.700  3.4014  -2.196190      7.874579  
1 1 1 12  46  19 o 121.740 3.6367  8091.52    479.523  8420.33    852.711  7939.44    579.906  122.985 6.4237  120.349 4.4488  2.635902       7.813860  
1 1 1 12  46  20 f 124.970 3.1900  8518.65    431.783  8132.61    880.717  8640.80    495.406  120.428 6.7797  125.728 3.6380  -5.299652      7.694075  
1 1 1 12  46  21 o 55.818  3.9745  1717.98    238.716  1712.67    482.544  1719.70    274.682  54.074  8.5213  55.679  4.5958  -1.605942      9.681597  
1 1 1 12  46  22 o 42.051  2.3454  965.797    106.396  1193.44    451.775  952.430    109.475  44.204  9.7022  41.745  2.4318  2.459351       10.00232  
1 1 1 12  46  23 o 28.939  6.8759  496.054    212.328  28.597     447.455  631.903    241.216  22.640  9.8290  32.679  7.0241  -10.03860      12.08085  
1 1 1 12  46  24 f 60.033  4.2599  2010.06    275.191  1867.97    548.830  2057.79    318.064  54.818  9.5932  60.466  4.8987  -5.648830      10.77155  
1 1 1 12  46  25 o 34.543  6.5725  716.072    236.915  839.237    496.233  679.710    269.628  34.813  11.407  33.098  7.6712  1.714939       13.74678  
1 1 1 12  46  26 o 26.154  7.8184  439.138    238.572  231.592    492.980  502.609    272.621  24.235  10.418  27.697  8.3755  -3.462528      13.36758  
1 1 1 12  46  27 o 19.284  8.6781  -8.4660    380.413  0.0000     0.0000   -8.4660    380.413  ?       ?       19.284  8.6781  0.000000       8.678093  
1 1 1 12  46  28 o 64.571  7.0410  2642.54    484.445  0.0000     0.0000   2642.54    484.445  ?       ?       64.571  7.0410  0.000000       7.040990  
1 1 1 12  46  29 o 23.690  9.6367  376.163    387.982  0.0000     0.0000   376.163    387.982  ?       ?       23.690  9.6367  0.000000       9.636740  
1 1 1 12  47  0  o 38.725  1.1229  812.205    47.098   841.354    49.987   581.617    140.593  39.414  1.1709  32.497  4.0846  6.916645       4.249144  
1 1 1 12  47  1  o 144.122 4.8643  11268.30   759.322  11181.23   1155.88  11334.40   1007.11  143.202 7.4783  144.450 6.4371  -1.248230      9.867166  
1 1 1 12  47  2  o 242.202 7.1631  31890.85   1879.10  30407.81   3217.25  32658.72   2315.02  235.212 12.675  244.872 8.7286  -9.659546      15.39003  
1 1 1 12  47  3  o 112.915 4.2442  6914.29    519.056  7251.26    729.687  6569.13    738.504  115.413 5.8565  109.796 6.2358  5.617172       8.554721  
1 1 1 12  47  4  o 396.603 9.5982  85813.31   4123.02  88556.13   5832.54  83073.71   5829.13  401.488 13.413  388.680 13.847  12.80841       19.27763  
1 1 1 12  47  5  o 362.146 10.198  71648.57   4000.12  66436.48   7188.01  73986.86   4814.51  344.354 19.351  367.355 12.100  -23.00140      22.82253  
1 1 1 12  47  6  o 281.246 7.1194  43031.73   2168.70  44370.08   3069.16  41697.14   3064.84  284.973 9.9437  276.181 10.246  8.792053       14.27767  
1 1 1 12  47  7  o 219.271 5.8817  26123.41   1396.86  26894.51   1977.91  25356.11   1973.02  222.137 8.2208  215.652 8.4471  6.485245       11.78707  
1 1 1 12  47  8  o 297.834 7.5011  48313.57   2419.73  46078.60   3423.54  50544.55   3420.49  289.947 10.902  303.838 10.394  -13.89124      15.06240  
1 1 1 12  47  9  o 312.406 7.7452  53217.02   2620.73  56504.52   3709.86  49942.22   3702.69  320.928 10.673  301.467 11.340  19.46094       15.57244  
1 1 1 12  47  10 f 88.646  2.4749  4258.90    237.625  4989.88    537.877  4081.64    264.875  95.682  5.2098  86.771  2.8183  8.911140       5.923263  
1 1 1 12  47  11 o 237.345 4.3813  30594.89   1126.29  30309.45   2274.28  30687.64   1296.43  235.172 8.9287  237.594 5.0378  -2.422073      10.25187  
1 1 1 12  47  12 o 25.258  1.1839  345.579    32.389   259.978    342.623  346.351    32.534   25.025  9.3695  25.286  1.1879  -0.2608604     9.444547  
1 1 1 12  47  13 o 183.258 3.6554  18240.76   725.544  17738.90   1475.11  18400.92   833.312  179.852 7.5725  183.977 4.1819  -4.125031      8.650480  
1 1 1 12  47  14 o 284.516 5.1012  44146.66   1571.99  43171.27   3158.24  44467.89   1812.47  278.241 10.480  285.227 5.8669  -6.986206      12.01028  
1 1 1 12  47  15 f 223.617 4.1547  27235.80   1006.27  29424.98   2043.81  26535.33   1156.10  230.537 8.1852  220.497 4.8409  10.04028       9.509545  
1 1 1 12  47  16 o 123.705 2.9656  8316.33    397.353  8998.91    847.156  8123.81    449.914  127.960 6.1125  122.198 3.3993  5.761703       6.994162  
1 1 1 12  47  17 o 80.461  2.8213  3518.82    245.867  4374.29    569.723  3323.04    272.554  88.964  5.9468  78.147  3.2201  10.81686       6.762684  
1 1 1 12  47  18 o 51.122  3.7366  1433.42    205.461  746.836    462.436  1602.29    229.340  35.772  10.929  54.026  3.9466  -18.25404      11.61933  
1 1 1 12  47  19 o 27.496  1.1275  409.750    33.579   -222.0179  403.692  414.151    33.696   19.217  8.7631  27.643  1.1254  -8.425783      8.835088  
1 1 1 12  47  20 o 104.657 3.1123  5974.02    352.797  5736.03    722.508  6048.53    404.268  101.092 6.6355  105.196 3.5481  -4.103752      7.524574  
1 1 1 12  47  21 o 41.170  2.5051  926.309    111.175  1268.54    453.594  904.436    114.673  45.941  9.4318  40.662  2.6177  5.278843       9.788340  
1 1 1 12  47  22 o 12.571  5.8042  -136.1710  184.757  -369.8224  395.899  -71.1163   208.901  17.326  8.1611  14.543  6.4962  2.782414       10.43093  
1 1 1 12  47  23 o 45.109  4.6297  1140.59    222.986  1011.99    459.258  1180.26    255.069  39.983  10.478  45.678  5.2511  -5.695587      11.72045  
1 1 1 12  47  24 o 70.160  2.7444  2694.76    208.544  2102.69    569.901  2786.30    224.086  58.280  9.3441  71.296  2.9019  -13.01616      9.784364  
1 1 1 12  47  25 o 23.958  7.8629  347.430    235.730  307.503    482.088  359.977    270.240  25.789  10.645  24.476  8.4222  1.312948       13.57357  
1 1 1 12  47  26 f 52.581  5.3051  1616.13    297.995  0.0000     0.0000   1616.13    297.995  ?       ?       52.581  5.3051  0.000000       5.305068  
1 1 1 12  47  27 o 41.783  8.7108  1175.74    381.435  0.0000     0.0000   1175.74    381.435  ?       ?       41.783  8.7108  0.000000       8.710776  
1 1 1 12  47  28 o 17.607  8.1064  -83.3720   356.745  0.0000     0.0000   -83.3720   356.745  ?       ?       17.607  8.1064  0.000000       8.106408  
1 1 1 12  47  29 o 18.751  8.4883  25.728     370.268  0.0000     0.0000   25.728     370.268  ?       ?       18.751  8.4883  0.000000       8.488251  
1 1 1 12  48  0  o 291.031 5.1589  45960.96   1626.19  42128.36   2299.64  49794.47   2299.91  278.303 7.6291  302.669 7.0157  -24.36563      10.36453  
1 1 1 12  48  1  o 186.794 5.2435  18935.44   1060.85  20711.82   1503.90  17176.10   1496.66  195.187 7.1137  177.681 7.7770  17.50601       10.53976  
1 1 1 12  48  2  o 206.460 5.6366  23141.17   1260.44  22565.40   1779.90  23720.36   1785.16  203.612 8.0709  208.780 7.8944  -5.168472      11.28986  
1 1 1 12  48  3  o 64.794  4.4279  2287.77    308.885  2306.45    427.178  2267.30    447.167  64.873  6.1532  64.269  6.5139  0.6046829      8.960623  
1 1 1 12  48  4  o 214.529 5.8032  24993.94   1348.41  24034.06   1907.15  25953.38   1906.72  210.048 8.3829  218.322 8.0634  -8.273743      11.63152  
1 1 1 12  48  5  o 112.759 4.2734  6896.66    521.911  7168.69    739.373  6626.51    736.821  114.719 5.9712  110.258 6.1951  4.461044       8.604296  
1 1 1 12  48  6  o 49.943  2.4018  1351.52    129.922  1362.25    138.320  1271.11    378.646  50.074  2.5589  47.742  7.5755  2.331211       7.995977  
1 1 1 12  48  7  o 203.802 5.6075  22562.82   1237.80  21881.99   1752.22  23241.00   1748.80  200.373 8.0738  206.542 7.8174  -6.169525      11.23824  
1 1 1 12  48  8  o 185.019 5.2581  18593.96   1053.69  18903.61   1493.46  18287.06   1486.83  186.280 7.4022  183.204 7.4930  3.076355       10.53269  
1 1 1 12  48  9  o 131.962 4.5315  9453.87    647.679  8674.27    951.156  10127.87   884.396  125.998 6.9973  136.460 5.9837  -10.46183      9.206874  
1 1 1 12  48  10 o 229.261 4.0685  28528.93   1010.25  29440.98   2040.51  28232.78   1162.76  232.113 8.1165  227.980 4.7090  4.133606       9.383593  
1 1 1 12  48  11 o 103.982 2.5007  5861.28    281.631  7583.54    536.645  5206.65    330.854  118.169 4.1929  97.976  3.1178  20.19262       5.225046  
1 1 1 12  48  12 o 63.386  2.6922  2178.94    184.831  2229.39    447.529  2168.57    202.949  63.559  6.5971  63.226  2.9636  0.3327522      7.232167  
1 1 1 12  48  13 o 169.049 3.4776  15520.27   636.737  16713.10   1301.41  15144.85   730.091  174.705 6.8776  166.910 4.0386  7.795654       7.975678  
1 1 1 12  48  14 o 266.981 4.6197  38841.10   1335.87  46776.88   2691.68  36247.64   1538.75  290.821 8.5453  257.575 5.5156  33.24573       10.17074  
1 1 1 12  48  15 o 147.931 3.1375  11892.36   502.702  13286.89   1053.28  11480.99   572.061  155.564 6.2512  145.263 3.6359  10.30061       7.231725  
1 1 1 12  48  16 o 30.973  4.2437  532.960    138.623  611.138    422.567  523.532    146.744  33.002  10.502  30.634  4.5619  2.367641       11.45045  
1 1 1 12  48  17 o 91.440  3.0610  4548.29    303.159  4144.90    647.867  4661.39    343.032  86.221  6.9978  92.518  3.4232  -6.297096      7.790274  
1 1 1 12  48  18 o 91.788  2.6167  4580.33    260.141  4394.32    475.453  4659.82    310.787  89.334  4.9329  92.509  3.1018  -3.174454      5.827084  
1 1 1 12  48  19 o 19.765  8.1610  79.612     283.528  -86.3973   400.978  245.606    400.960  20.638  9.1212  25.396  9.9737  -4.758701      13.51561  
1 1 1 12  48  20 o 72.105  3.4021  2840.50    265.691  2818.46    547.626  2847.29    303.848  70.397  7.2878  71.987  3.9117  -1.589943      8.271213  
1 1 1 12  48  21 o 28.670  6.7668  481.062    206.745  856.306    423.417  363.591    236.907  37.386  10.182  25.177  7.8440  12.20889       12.85268  
1 1 1 12  48  22 o 22.367  7.1275  283.331    194.572  -193.3277  412.967  419.335    220.591  19.422  8.8592  26.636  7.3877  -7.213562      11.53530  
1 1 1 12  48  23 o 20.126  7.4651  193.486    216.495  36.979     418.955  250.504    252.875  22.076  9.5473  22.209  8.0962  -0.1338863     12.51793  
1 1 1 12  48  24 o 37.629  5.8377  822.253    230.214  824.062    479.288  821.711    262.475  35.309  11.180  37.210  6.7616  -1.901821      13.06544  
1 1 1 12  48  25 o 16.333  6.9348  44.647     213.589  332.424    471.935  -29.4824   239.524  25.827  10.581  15.875  7.0312  9.952424       12.70418  
1 1 1 12  48  26 o 26.616  8.7773  466.124    293.619  0.0000     0.0000   466.124    293.619  ?       ?       26.616  8.7773  0.000000       8.777299  
1 1 1 12  48  27 o 40.078  9.1569  1109.21    388.788  0.0000     0.0000   1109.21    388.788  ?       ?       40.078  9.1569  0.000000       9.156855  
1 1 1 12  48  28 o 19.380  8.4838  97.111     339.364  0.0000     0.0000   97.111     339.364  ?       ?       19.380  8.4838  0.000000       8.483831  
1 1 1 12  48  29 o 27.009  9.9099  563.695    379.750  0.0000     0.0000   563.695    379.750  ?       ?       27.009  9.9099  0.000000       9.909923  
1 1 1 12  49  0  o 138.028 2.7806  10323.70   415.693  10791.92   588.975  9858.94    586.787  141.084 3.8543  134.841 4.0178  6.243103       5.567636  
1 1 1 12  49  1  o 146.673 4.6248  11670.10   734.709  11953.15   1042.63  11390.92   1035.47  148.320 6.4903  144.781 6.6032  3.538681       9.258861  
1 1 1 12  49  2  o 230.584 6.1035  28880.77   1524.33  28503.65   2153.89  29259.18   2157.58  228.719 8.6946  231.747 8.5957  -3.027435      12.22631  
1 1 1 12  49  3  o 357.808 8.7128  69773.56   3376.58  62380.61   4773.57  77176.66   4776.85  336.991 13.078  375.343 11.750  -38.35184      17.58153  
1 1 1 12  49  4  o 207.122 5.6565  23297.35   1268.95  24397.46   1795.95  22200.63   1793.18  211.684 7.8331  201.877 8.2010  9.807053       11.34082  
1 1 1 12  49  5  o 281.331 7.1382  43061.99   2175.09  39469.73   3076.07  46654.09   3076.00  268.598 10.574  292.252 9.7176  -23.65384      14.36082  
1 1 1 12  49  6  o 72.837  4.3142  2888.22    338.829  3226.75    480.752  2554.09    477.618  76.848  5.8190  68.226  6.5437  8.622246       8.756758  
1 1 1 12  49  7  f 84.280  4.1930  3853.72    382.752  4052.58    545.362  3660.69    537.314  86.153  5.8796  81.834  6.1061  4.319321       8.476667  
1 1 1 12  49  8  o 172.747 5.0617  16208.19   947.061  15754.86   1342.38  16657.44   1336.33  170.047 7.2885  174.883 7.0550  -4.836456      10.14369  
1 1 1 12  49  9  o 151.937 4.7310  12537.48   778.552  11719.65   1103.85  13347.03   1098.25  146.656 6.9493  156.570 6.4762  -9.914673      9.499169  
1 1 1 12  49  10 o 116.024 2.6396  7297.69    331.714  8402.64    670.408  6939.47    381.715  124.336 4.9782  113.118 3.1156  11.21735       5.872766  
1 1 1 12  49  11 o 144.376 2.9908  11306.02   467.693  13664.42   971.836  10595.20   533.539  158.403 5.6645  139.722 3.5256  18.68141       6.672025  
1 1 1 12  49  12 f 41.473  3.0450  938.274    135.821  763.457    377.701  964.238    145.558  36.527  9.4686  42.027  3.2222  -5.500332      10.00184  
1 1 1 12  49  13 o 21.577  1.7292  253.943    40.073   301.701    338.009  253.263    40.357   25.696  9.3614  21.547  1.7443  4.149570       9.522470  
1 1 1 12  49  14 o 93.354  2.8691  4731.65    290.101  4213.11    667.930  4852.21    322.065  87.241  7.1311  94.512  3.1462  -7.270691      7.794277  
1 1 1 12  49  15 o 11.430  4.8270  5.8571     102.596  573.098    409.694  -32.0954   105.973  32.179  10.352  10.646  4.6978  21.53341       11.36804  
1 1 1 12  49  16 o 21.328  5.4402  258.984    126.068  108.821    410.361  274.633    132.474  23.703  9.8052  21.953  5.5642  1.750107       11.27396  
1 1 1 12  49  17 o 116.282 3.0577  7356.73    385.103  6588.68    815.346  7577.27    436.908  108.791 6.9560  117.943 3.4202  -9.152573      7.751321  
1 1 1 12  49  18 o 23.565  6.3200  318.378    164.632  511.866    409.056  280.978    179.841  30.563  10.365  22.390  6.8097  8.172672       12.40169  
1 1 1 12  49  19 o 29.203  8.7520  493.421    298.664  -13.9008   419.232  1016.24    425.589  21.983  9.5288  41.277  9.6861  -19.29415      13.58740  
1 1 1 12  49  20 o 75.050  2.7097  3068.06    220.266  3258.34    562.906  3033.66    239.352  75.859  6.9275  74.586  2.9628  1.272705       7.534544  
1 1 1 12  49  21 o 86.104  3.2694  4055.01    304.908  3526.54    615.683  4226.75    350.969  78.468  7.3291  87.790  3.6911  -9.322182      8.206113  
1 1 1 12  49  22 o 88.927  3.2133  4330.88    309.496  3820.55    637.594  4488.19    353.998  81.379  7.3118  90.393  3.6157  -9.014000      8.156915  
1 1 1 12  49  23 o 54.861  2.6427  1644.21    157.027  1744.56    501.798  1633.32    165.331  53.610  8.9581  54.579  2.8063  -0.9694519     9.387418  
1 1 1 12  49  24 o 43.633  5.1175  1087.27    237.254  378.629    464.567  1337.31    275.955  27.162  10.714  48.327  5.3624  -21.16526      11.98085  
1 1 1 12  49  25 o 66.754  3.9024  2502.85    280.919  2467.09    571.733  2514.24    322.538  62.104  8.7417  66.515  4.5036  -4.410969      9.833603  
1 1 1 12  49  26 o 92.842  4.8616  4964.28    487.170  0.0000     0.0000   4964.28    487.170  ?       ?       92.842  4.8616  0.000000       4.861600  
1 1 1 12  49  27 o 29.382  9.1834  607.810    324.434  0.0000     0.0000   607.810    324.434  ?       ?       29.382  9.1834  0.000000       9.183447  
1 1 1 12  49  28 o 17.148  7.8555  -64.3134   329.309  0.0000     0.0000   -64.3134   329.309  ?       ?       17.148  7.8555  0.000000       7.855455  
1 1 1 12  49  29 o 20.846  9.1692  163.768    400.586  0.0000     0.0000   163.768    400.586  ?       ?       20.846  9.1692  0.000000       9.169193  
1 1 1 12  50  0  o 310.035 5.0596  52163.41   1699.01  53068.43   2403.75  51259.86   2401.79  312.398 7.1041  307.007 7.2230  5.390594       10.13114  
1 1 1 12  50  1  o 386.868 9.3691  81639.50   3925.81  85558.80   5554.02  77726.09   5549.86  394.738 12.991  375.976 13.629  18.76205       18.82801  
1 1 1 12  50  2  o 44.204  5.4698  1076.97    256.291  1203.93    349.993  930.178    376.340  46.512  7.1784  40.535  8.8224  5.976856       11.37386  
1 1 1 12  50  3  o 296.490 8.6353  47917.78   2773.06  46910.67   4887.84  48395.81   3367.48  290.844 15.573  297.516 10.450  -6.671143      18.75411  
1 1 1 12  50  4  o 98.558  4.2060  5268.94    448.991  4980.19    634.122  5559.25    635.820  95.536  6.1611  100.995 5.8374  -5.459511      8.487305  
1 1 1 12  50  5  o 217.836 5.8592  25780.87   1382.41  26828.10   1957.00  24737.87   1953.05  221.884 8.1432  213.012 8.4652  8.872147       11.74615  
1 1 1 12  50  6  o 106.990 4.2274  6210.23    489.883  6570.52    695.703  5855.90    689.931  109.803 5.8710  103.605 6.1763  6.197823       8.521502  
1 1 1 12  50  7  o 70.037  4.3583  2672.25    328.974  3207.24    470.524  2160.63    460.128  76.608  5.7118  62.627  6.8978  13.98157       8.955678  
1 1 1 12  50  8  f 286.277 7.2162  44662.67   2237.51  46725.80   3167.92  42608.90   3160.73  291.967 10.018  278.652 10.473  13.31424       14.49245  
1 1 1 12  50  9  o 190.808 5.3761  19794.79   1111.05  19034.48   1574.09  20549.68   1568.46  186.703 7.7841  194.057 7.4623  -7.353561      10.78324  
1 1 1 12  50  10 o 110.204 2.6278  6584.28    313.659  7653.54    670.968  6285.28    354.815  118.624 5.2223  107.652 3.0430  10.97182       6.044186  
1 1 1 12  50  11 o 82.490  2.5869  3689.69    231.125  3805.17    511.670  3660.08    259.061  83.376  5.7002  82.144  2.9118  1.231598       6.400863  
1 1 1 12  50  12 o 135.108 3.1431  9907.65    459.954  9428.58    1018.66  10030.34   515.496  130.990 7.2077  135.905 3.5020  -4.915924      8.013410  
1 1 1 12  50  13 o 127.049 3.0053  8763.18    413.546  9183.11    886.439  8646.36    467.543  129.510 6.3194  126.153 3.4218  3.356346       7.186354  
1 1 1 12  50  14 o 125.661 2.9097  8575.60    396.026  10403.77   853.335  8073.76    447.089  137.857 5.7151  121.868 3.3871  15.98862       6.643393  
1 1 1 12  50  15 o 35.833  1.8540  698.129    71.707   764.646    441.207  696.325    72.674   36.368  10.570  35.784  1.8817  0.5838432      10.73644  
1 1 1 12  50  16 o 42.135  1.9081  963.005    87.078   0.0000     0.0000   963.005    87.078   ?       ?       42.135  1.9081  0.000000       1.908068  
1 1 1 12  50  17 o 20.878  6.3305  242.773    155.592  436.733    412.027  210.515    168.033  29.217  10.374  19.975  6.6425  9.242004       12.31850  
1 1 1 12  50  18 o 91.441  3.1108  4554.60    308.089  4061.19    648.787  4698.26    350.079  85.041  7.1089  92.804  3.4828  -7.762344      7.916235  
1 1 1 12  50  19 o 54.076  4.6058  1618.07    267.194  1624.68    484.433  1615.18    320.324  52.782  8.7824  53.763  5.5823  -0.9808044     10.40640  
1 1 1 12  50  20 o 79.631  3.2386  3463.61    279.324  2784.69    585.758  3663.43    317.783  69.561  7.9156  81.816  3.5861  -12.25501      8.690053  
1 1 1 12  50  21 o 56.228  2.2689  1720.61    138.180  1226.90    478.747  1765.48    144.322  44.702  10.123  56.948  2.3398  -12.24534      10.38999  
1 1 1 12  50  22 o 19.351  7.1762  175.423    200.049  285.022    414.817  142.208    228.359  25.709  10.129  19.233  7.5348  6.475903       12.62440  
1 1 1 12  50  23 o 26.559  6.9699  420.967    203.020  206.707    430.211  482.352    230.273  24.492  10.076  28.317  7.4190  -3.824438      12.51288  
1 1 1 12  50  24 o 36.455  1.8724  725.970    73.680   406.372    446.314  734.924    74.705   27.216  10.569  36.677  1.8870  -9.461065      10.73639  
1 1 1 12  50  25 o 24.623  1.9055  333.048    50.422   -339.2899  469.762  340.885    50.715   18.491  8.7639  24.915  1.8935  -6.423840      8.966123  
1 1 1 12  50  26 o 23.094  9.1087  294.865    335.781  0.0000     0.0000   294.865    335.781  ?       ?       23.094  9.1087  0.000000       9.108735  
1 1 1 12  50  27 o 15.897  7.3428  -121.1234  296.142  0.0000     0.0000   -121.1234  296.142  ?       ?       15.897  7.3428  0.000000       7.342776  
1 1 1 12  50  28 o 20.924  8.7676  213.947    334.210  0.0000     0.0000   213.947    334.210  ?       ?       20.924  8.7676  0.000000       8.767591  
1 1 1 12  50  29 o 20.624  8.7894  198.609    345.418  0.0000     0.0000   198.609    345.418  ?       ?       20.624  8.7894  0.000000       8.789439  
1 1 1 12  51  0  o 116.549 2.9304  7361.60    369.914  6770.21    523.469  7951.50    522.805  111.721 4.3260  121.091 3.9862  -9.369591      5.882521  
1 1 1 12  51  1  o 92.002  4.1447  4590.71    413.010  4448.45    589.190  4728.13    579.110  90.287  6.0602  93.126  5.7698  -2.839249      8.367580  
1 1 1 12  51  2  o 192.188 6.0461  20067.53   1258.56  20029.87   2061.13  20089.92   1589.24  191.223 9.9863  192.111 7.6378  -0.8883362     12.57227  
1 1 1 12  51  3  o 87.160  4.1933  4120.62    395.856  4200.92    552.856  4036.15    567.065  87.746  5.8508  85.968  6.1303  1.777359       8.474174  
1 1 1 12  51  4  f 234.847 6.1994  29975.46   1576.89  29730.83   2230.83  30219.75   2229.29  233.459 8.8224  235.386 8.7441  -1.926758      12.42153  
1 1 1 12  51  5  o 126.899 4.4085  8737.61    605.930  9201.75    859.034  8278.01    854.810  130.112 6.0957  123.218 6.4274  6.894325       8.858236  
1 1 1 12  51  6  o 174.541 5.0847  16544.03   961.240  17073.18   1361.88  16018.72   1356.93  177.077 7.1008  171.495 7.3053  5.582413       10.18763  
1 1 1 12  51  7  o 255.311 6.6093  35479.92   1827.66  35597.95   2587.13  35362.33   2582.27  255.086 9.3640  254.237 9.3776  0.8493195      13.25233  
1 1 1 12  51  8  o 176.590 5.0468  16943.59   965.273  19662.84   1370.94  14270.19   1359.34  190.001 6.6618  161.698 7.7616  28.30334       10.22852  
1 1 1 12  51  9  o 164.025 4.9125  14622.08   872.735  14437.88   1237.96  14804.08   1230.54  162.686 7.0257  164.758 6.8957  -2.072144      9.844294  
1 1 1 12  51  10 o 227.973 3.9112  28219.77   965.760  31373.34   1954.22  27200.70   1110.90  239.520 7.5329  223.709 4.5848  15.81160       8.818424  
1 1 1 12  51  11 o 181.157 3.4551  17816.12   677.929  20013.20   1380.11  17117.39   778.299  191.368 6.6585  177.488 4.0486  13.87988       7.792730  
1 1 1 12  51  12 o 108.226 2.7439  6354.81    321.638  7887.34    694.591  5936.50    362.889  120.265 5.3324  104.568 3.2041  15.69692       6.220941  
1 1 1 12  51  13 o 26.196  4.0958  382.310    112.408  248.130    422.001  392.558    116.621  26.322  10.262  26.535  4.1974  -0.2129955     11.08721  
1 1 1 12  51  14 o 47.411  2.9548  1225.76    150.979  1251.46    456.141  1222.60    159.997  46.585  9.3651  47.329  3.1390  -0.7440338     9.877137  
1 1 1 12  51  15 o 57.492  3.3070  1803.90    205.060  1035.26    492.587  1965.02    225.531  41.955  10.782  59.988  3.4862  -18.03368      11.33131  
1 1 1 12  51  16 f 72.763  3.1841  2880.70    250.935  2873.30    557.211  2882.58    281.047  71.621  7.2844  72.743  3.5671  -1.121872      8.110922  
1 1 1 12  51  17 o 52.802  3.4821  1526.34    198.022  2083.76    477.909  1410.81    217.578  60.712  7.4223  50.666  3.9974  10.04668       8.430248  
1 1 1 12  51  18 o 91.824  3.0634  4592.80    304.673  4260.04    651.139  4686.07    344.739  87.138  6.9572  92.682  3.4342  -5.544632      7.758605  
1 1 1 12  51  19 o 137.458 3.9318  10347.32   585.370  9801.20    1007.20  10625.87   719.330  131.986 7.0713  138.928 4.7805  -6.941208      8.535556  
1 1 1 12  51  20 o 52.545  3.8675  1522.27    218.562  1610.94    482.349  1499.37    245.176  52.237  8.8407  52.013  4.3932  0.2242775      9.872095  
1 1 1 12  51  21 o 18.766  6.7873  171.198    177.219  66.640     410.237  195.187    196.500  22.485  9.5804  19.859  7.1522  2.625519       11.95569  
1 1 1 12  51  22 o 16.146  6.7991  33.605     202.602  -420.9896  414.794  176.040    232.182  17.366  8.2321  20.091  7.6697  -2.725018      11.25127  
1 1 1 12  51  23 o 11.654  5.5964  -277.2953  205.103  95.958     400.525  -409.9643  238.788  22.275  9.4781  11.767  5.7408  10.50785       11.08112  
1 1 1 12  51  24 o 20.195  7.2824  218.636    203.795  449.034    427.643  150.937    231.810  27.597  10.439  19.105  7.5579  8.491205       12.88761  
1 1 1 12  51  25 o 68.233  4.4299  2649.18    325.615  0.0000     0.0000   2649.18    325.615  ?       ?       68.233  4.4299  0.000000       4.429932  
1 1 1 12  51  26 o 69.173  5.3092  2801.31    394.740  0.0000     0.0000   2801.31    394.740  ?       ?       69.173  5.3092  0.000000       5.309216  
1 1 1 12  51  27 o 25.672  9.0860  452.076    315.816  0.0000     0.0000   452.076    315.816  ?       ?       25.672  9.0860  0.000000       9.086021  
1 1 1 12  51  28 o 20.569  8.9866  150.971    379.124  0.0000     0.0000   150.971    379.124  ?       ?       20.569  8.9866  0.000000       8.986624  
1 1 1 12  52  0  o 161.305 3.1813  14103.37   555.804  13723.02   786.671  14482.48   785.382  159.040 4.5669  163.390 4.4380  -4.349884      6.368040  
1 1 1 12  52  1  o 183.500 4.2502  18264.65   844.717  20445.83   1743.71  17595.81   965.583  193.708 8.3111  180.057 4.9512  13.65115       9.674084  
1 1 1 12  52  2  f 99.576  4.1735  5378.15    450.112  4729.38    627.885  6064.04    645.594  93.076  6.2648  105.513 5.6699  -12.43674      8.449582  
1 1 1 12  52  3  o 219.711 5.9004  26227.62   1404.12  25721.18   1984.60  26735.20   1986.86  217.210 8.4357  221.477 8.2826  -4.266617      11.82216  
1 1 1 12  52  4  o 101.521 4.2293  5591.42    465.044  5903.92    658.454  5280.41    656.891  104.071 5.8654  98.365  6.1974  5.705887       8.532897  
1 1 1 12  52  5  o 78.002  3.2849  3298.72    277.518  3619.56    332.934  2568.28    502.350  81.693  3.7627  68.354  6.8788  13.33827       7.840640  
1 1 1 12  52  6  o 223.799 5.9946  27234.75   1453.09  26611.16   2056.89  27856.02   2053.07  220.748 8.6029  225.898 8.3912  -5.149963      12.01754  
1 1 1 12  52  7  f 142.493 4.6034  11024.78   710.462  10758.48   1007.37  11288.32   1002.14  140.564 6.6168  144.006 6.4251  -3.442062      9.222953  
1 1 1 12  52  8  o 29.669  1.2346  476.813    39.673   483.778    40.019   79.491     302.253  29.885  1.2363  20.661  8.4666  9.224306       8.556350  
1 1 1 12  52  9  o 202.951 5.6021  22417.96   1231.44  21603.75   1744.49  23226.67   1738.57  198.689 8.1063  206.100 7.7883  -7.410309      11.24146  
1 1 1 12  52  10 o 36.852  3.6882  744.655    145.234  596.168    339.394  777.941    160.690  32.498  9.2171  37.634  4.0037  -5.135361      10.04913  
1 1 1 12  52  11 o 47.233  2.7202  1214.17    138.574  1379.88    358.169  1185.00    150.277  49.774  6.8235  46.636  2.9909  3.137238       7.450147  
1 1 1 12  52  12 o 22.189  4.0131  275.963    92.896   577.258    335.733  250.983    96.671   31.925  9.2039  21.088  4.3757  10.83652       10.19111  
1 1 1 12  52  13 o 73.509  2.7843  2933.51    221.676  3108.15    559.416  2900.99    241.441  74.872  6.9788  73.082  3.0502  1.789406       7.616269  
1 1 1 12  52  14 o 124.191 3.0825  8382.00    414.639  8826.53    871.670  8251.99    471.386  126.563 6.3793  123.157 3.5339  3.405991       7.292735  
1 1 1 12  52  15 o 141.393 3.2654  10875.70   500.076  11168.43   1037.40  10787.09   570.768  142.246 6.7334  140.716 3.7449  1.530029       7.704780  
1 1 1 12  52  16 f 137.147 3.2002  10236.93   475.377  11004.82   988.351  10005.82   542.215  141.124 6.4661  135.478 3.6951  5.645828       7.447423  
1 1 1 12  52  17 o 44.990  3.9003  1113.73    188.180  1298.32    462.068  1077.03    206.041  47.061  9.3941  44.149  4.3661  2.912685       10.35919  
1 1 1 12  52  18 o 108.328 2.9789  6391.47    349.516  5857.21    763.517  6533.11    393.125  102.209 6.9381  109.447 3.3163  -7.238007      7.689909  
1 1 1 12  52  19 o 95.421  3.7064  4982.06    383.059  4233.80    686.001  5321.08    461.752  86.371  7.4047  98.429  4.3313  -12.05854      8.578441  
1 1 1 12  52  20 o 38.853  1.7407  819.672    73.250   279.288    440.549  835.036    74.284   26.357  10.421  39.215  1.7490  -12.85740      10.56721  
1 1 1 12  52  21 o 18.486  6.9064  154.122    185.959  187.843    414.837  145.642    208.031  24.279  9.9305  18.831  7.2429  5.447828       12.29123  
1 1 1 12  52  22 o 35.894  5.4560  736.289    205.433  872.782    444.030  699.115    231.725  37.179  10.542  34.631  6.4141  2.548428       12.33990  
1 1 1 12  52  23 o ?       ?       -127.4180  30.754   -301.8677  419.861  -126.4770  30.837   18.272  8.5422  ?       ?       0.000000       8.542235  
1 1 1 12  52  24 f 20.269  7.5651  211.927    223.020  693.353    430.792  35.658     260.670  31.981  10.636  17.585  7.5681  14.39629       13.05357  
1 1 1 12  52  25 o 15.636  7.1461  -106.2217  270.346  0.0000     0.0000   -106.2217  270.346  ?       ?       15.636  7.1461  0.000000       7.146102  
1 1 1 12  52  26 f 35.061  8.7885  833.398    333.098  0.0000     0.0000   833.398    333.098  ?       ?       35.061  8.7885  0.000000       8.788466  
1 1 1 12  52  27 o 46.891  7.4713  1419.23    366.714  0.0000     0.0000   1419.23    366.714  ?       ?       46.891  7.4713  0.000000       7.471274  
1 1 1 12  52  28 o 16.137  7.4828  -114.0471  312.003  0.0000     0.0000   -114.0471  312.003  ?       ?       16.137  7.4828  0.000000       7.482823  
1 1 1 12  53  0  o 308.185 5.6497  51585.32   1885.84  50555.37   2485.84  52981.79   2894.54  304.749 7.5311  311.739 8.5727  -6.990204      11.41093  
1 1 1 12  53  1  o 268.831 5.2565  39238.39   1530.56  38974.17   2662.23  39368.84   1870.61  267.221 9.1982  269.109 6.4178  -1.887939      11.21585  
1 1 1 12  53  2  o 208.657 5.7015  23651.09   1288.53  25087.89   1821.48  22211.83   1823.05  214.607 7.8363  201.854 8.3386  12.75328       11.44286  
1 1 1 12  53  3  o 157.254 5.2634  13429.08   896.481  13779.91   1393.60  13181.42   1170.91  158.787 8.1304  155.638 6.9461  3.149185       10.69352  
1 1 1 12  53  4  o 255.323 6.5980  35466.11   1824.63  37042.41   2582.46  33894.79   2578.37  260.383 9.1570  248.976 9.5613  11.40714       13.23891  
1 1 1 12  53  5  o 202.432 5.5894  22269.78   1225.51  21693.04   1734.53  22844.67   1731.75  199.424 8.0303  204.689 7.8112  -5.264526      11.20276  
1 1 1 12  53  6  o 214.348 5.8039  24983.34   1347.45  25449.21   1907.98  24519.81   1903.19  215.908 8.1590  211.901 8.2923  4.007126       11.63322  
1 1 1 12  53  7  f 182.585 5.2350  18120.40   1035.28  17427.80   1466.36  18808.76   1461.86  178.704 7.5759  185.706 7.2679  -7.001724      10.49844  
1 1 1 12  53  8  o 53.791  4.7658  1584.55    274.785  1389.84    394.510  1768.03    382.957  49.902  7.5337  56.616  6.3548  -6.714436      9.855963  
1 1 1 12  53  9  o 55.349  4.6528  1676.98    276.344  1866.42    399.181  1502.64    382.944  58.146  6.4469  52.003  6.9747  6.143608       9.497817  
1 1 1 12  53  10 o 54.313  2.8014  1604.31    164.235  2817.22    361.129  1288.03    184.409  71.816  4.6680  48.580  3.5288  23.23625       5.851768  
1 1 1 12  53  11 o 106.004 2.5874  6095.06    297.066  7131.14    578.513  5724.04    346.194  114.453 4.6668  102.690 3.1126  11.76326       5.609543  
1 1 1 12  53  12 o 84.168  2.7035  3844.51    246.456  4512.93    609.945  3714.09    269.430  90.573  6.2559  82.708  3.0077  7.865776       6.941354  
1 1 1 12  53  13 o 105.062 2.7389  5992.81    311.666  5485.74    595.732  6183.89    365.706  99.984  5.5225  106.678 3.1651  -6.694214      6.365202  
1 1 1 12  53  14 o 79.749  2.9589  3455.95    255.582  4099.45    582.938  3302.82    284.372  86.124  6.2928  77.923  3.3694  8.201180       7.138093  
1 1 1 12  53  15 o 60.483  3.1409  1994.99    205.055  1945.90    496.126  2005.11    225.189  58.625  8.0240  60.594  3.4454  -1.969067      8.732420  
1 1 1 12  53  16 o 61.433  3.3338  2061.36    220.994  2089.68    520.466  2055.14    244.090  60.622  8.1317  61.281  3.6948  -0.6588020     8.931723  
1 1 1 12  53  17 o 60.633  3.3998  2010.52    222.367  1885.84    509.151  2039.90    247.187  57.290  8.4598  61.010  3.7590  -3.719452      9.257348  
1 1 1 12  53  18 o 26.943  5.9992  417.704    170.571  261.186    427.606  447.322    186.010  26.134  10.288  27.842  6.3137  -1.707619      12.07104  
1 1 1 12  53  19 o 67.721  3.8888  2520.99    284.041  2798.95    535.883  2412.38    334.965  70.181  7.1497  66.010  4.7161  4.170479       8.565078  
1 1 1 12  53  20 o 87.930  3.1759  4225.50    302.463  3932.09    635.946  4311.27    343.843  83.044  7.1398  88.709  3.5787  -5.665199      7.986450  
1 1 1 12  53  21 o 33.676  5.6702  650.430    199.471  469.308    442.592  696.596    223.451  29.341  10.709  34.715  6.1688  -5.373873      12.35840  
1 1 1 12  53  22 o 67.189  3.5487  2488.85    257.336  2149.22    542.440  2587.49    292.325  59.911  8.6065  68.363  3.9650  -8.451679      9.475975  
1 1 1 12  53  23 o 49.640  4.2352  1380.91    225.527  1372.39    484.745  1383.26    254.782  46.237  9.9727  49.441  4.8191  -3.204163      11.07601  
1 1 1 12  53  24 o 21.011  1.8095  242.480    40.777   378.915    435.497  241.273    40.957   26.122  10.351  20.956  1.8226  5.165733       10.51025  
1 1 1 12  53  25 o 21.729  8.7143  227.465    312.323  0.0000     0.0000   227.465    312.323  ?       ?       21.729  8.7143  0.000000       8.714316  
1 1 1 12  53  26 o 36.623  8.9378  916.189    351.412  0.0000     0.0000   916.189    351.412  ?       ?       36.623  8.9378  0.000000       8.937768  
1 1 1 12  53  27 o 29.928  9.7162  663.243    360.314  0.0000     0.0000   663.243    360.314  ?       ?       29.928  9.7162  0.000000       9.716155  
1 1 1 12  53  28 o 38.523  9.3538  1082.04    386.373  0.0000     0.0000   1082.04    386.373  ?       ?       38.523  9.3538  0.000000       9.353800  
1 1 1 12  54  0  o 75.120  2.0651  3057.29    168.024  3204.36    209.989  2795.55    280.138  76.898  2.5212  71.711  3.6184  5.187103       4.410154  
1 1 1 12  54  1  o 98.567  3.1472  5266.58    335.989  6027.05    612.120  4938.67    401.952  105.206 5.3899  95.424  3.8891  9.782173       6.646530  
1 1 1 12  54  2  f 256.828 6.6359  35882.36   1845.91  35062.03   2609.19  36704.34   2611.83  253.277 9.5113  259.192 9.3036  -5.915283      13.30497  
1 1 1 12  54  3  o 417.237 10.109  95303.74   4568.18  92682.19   6460.60  97924.94   6460.16  409.084 14.581  420.751 14.176  -11.66681      20.33623  
1 1 1 12  54  4  o 188.658 5.9347  19350.82   1212.68  18993.68   1976.63  19566.39   1535.65  186.020 9.8457  189.487 7.4824  -3.467880      12.36623  
1 1 1 12  54  5  o 120.447 4.3499  7874.33    567.470  7216.69    803.051  8530.24    801.997  114.969 6.4753  125.243 5.9122  -10.27322      8.768374  
1 1 1 12  54  6  o 148.328 4.6847  11949.04   752.617  11840.54   1066.76  12056.57   1061.98  147.435 6.6803  148.786 6.5900  -1.350525      9.383726  
1 1 1 12  54  7  o 105.627 4.2277  6057.80    483.668  5193.74    685.867  6912.56    682.167  97.413  6.5385  112.724 5.5873  -15.31076      8.600593  
1 1 1 12  54  8  o 144.818 4.9333  11403.17   773.795  11692.77   1179.61  11184.43   1025.19  146.080 7.4806  143.195 6.6101  2.885468       9.982619  
1 1 1 12  54  9  o 167.569 4.9786  15278.43   903.594  14475.67   1281.20  16072.90   1274.57  162.673 7.2717  171.507 6.8614  -8.833923      9.997782  
1 1 1 12  54  10 o 171.843 3.7845  16042.44   704.392  17438.86   1410.56  15578.54   813.020  178.405 7.2999  169.241 4.4353  9.164169       8.541677  
1 1 1 12  54  11 o 88.665  2.6115  4265.00    250.792  4687.52    547.474  4152.79    282.135  92.514  5.4882  87.468  2.9781  5.046196       6.244172  
1 1 1 12  54  12 o 210.986 3.7864  24213.84   865.258  22738.94   1762.17  24682.40   993.237  202.908 8.0182  212.880 4.3077  -9.971420      9.102132  
1 1 1 12  54  13 o 65.773  2.9788  2350.19    212.207  2495.03    517.104  2320.85    232.704  66.883  7.2546  65.255  3.3032  1.627884       7.971238  
1 1 1 12  54  14 o 29.147  4.5683  474.844    139.475  403.521    423.221  483.534    147.728  28.919  10.484  29.371  4.8103  -0.4526997     11.53513  
1 1 1 12  54  15 o 151.863 3.4304  12557.24   564.244  11053.74   1159.82  13023.41   645.820  140.799 7.6339  154.546 3.8582  -13.74672      8.553476  
1 1 1 12  54  16 o 148.488 3.2821  12009.64   527.848  12639.19   1094.57  11818.87   602.541  150.965 6.6942  147.166 3.7801  3.798859       7.687729  
1 1 1 12  54  17 o 50.539  1.8716  1386.15    102.448  301.643    465.461  1441.37    105.023  27.554  10.768  51.535  1.8815  -23.98151      10.93078  
1 1 1 12  54  18 o 37.048  4.8398  767.577    189.561  820.572    449.436  756.110    209.067  36.959  10.647  36.617  5.4366  0.3423996      11.95487  
1 1 1 12  54  19 o 63.970  2.5728  2228.15    178.260  2017.23    517.735  2256.51    189.870  58.892  8.3507  64.355  2.7240  -5.463238      8.783716  
1 1 1 12  54  20 o 44.425  4.2836  1096.84    203.559  742.501    466.674  1180.10    226.214  34.886  11.030  46.007  4.6014  -11.12156      11.95139  
1 1 1 12  54  21 o 69.347  2.6021  2623.24    195.441  2166.84    543.706  2690.96    209.439  60.482  8.5372  70.206  2.7543  -9.723560      8.970496  
1 1 1 12  54  22 f 84.944  3.2856  3961.73    302.280  3377.51    628.740  4137.37    344.736  75.784  7.7697  86.658  3.6729  -10.87397      8.594123  
1 1 1 12  54  23 o 27.613  6.8902  462.178    205.402  303.693    439.112  506.568    232.394  25.592  10.308  28.745  7.4153  -3.153605      12.69834  
1 1 1 12  54  24 o 27.508  7.7942  480.594    242.817  0.0000     0.0000   480.594    242.817  ?       ?       27.508  7.7942  0.000000       7.794196  
1 1 1 12  54  25 o 24.711  8.6094  385.885    282.808  0.0000     0.0000   385.885    282.808  ?       ?       24.711  8.6094  0.000000       8.609397  
1 1 1 12  54  26 o 40.665  7.6119  1064.43    322.936  0.0000     0.0000   1064.43    322.936  ?       ?       40.665  7.6119  0.000000       7.611872  
1 1 1 12  54  27 f 19.414  8.2801  133.669    306.972  0.0000     0.0000   133.669    306.972  ?       ?       19.414  8.2801  0.000000       8.280142  
1 1 1 12  54  28 o 18.631  8.1661  82.376     315.268  0.0000     0.0000   82.376     315.268  ?       ?       18.631  8.1661  0.000000       8.166075  
1 1 1 12  55  0  o 236.193 4.4445  30273.80   1136.99  28518.82   1607.93  32028.88   1607.97  228.981 6.4833  242.721 6.1164  -13.74062      8.913154  
1 1 1 12  55  1  o 260.714 5.0914  36911.07   1437.70  37519.29   2500.94  36610.86   1757.05  262.141 8.8084  259.472 6.2521  2.669250       10.80169  
1 1 1 12  55  2  o 239.825 6.9995  31313.53   1818.15  28415.92   3099.95  32832.96   2244.79  226.763 12.672  245.278 8.4498  -18.51512      15.23101  
1 1 1 12  55  3  o 212.824 5.7790  24621.95   1332.13  25417.23   1883.77  23826.43   1884.05  215.850 8.0576  208.935 8.3255  6.915436       11.58616  
1 1 1 12  55  4  o 183.105 5.2297  18216.55   1037.17  19502.95   1468.48  16936.08   1465.09  189.188 7.1664  176.220 7.6761  12.96855       10.50140  
1 1 1 12  55  5  o 116.876 4.3245  7415.50    547.433  6769.50    775.203  8058.12    773.175  111.320 6.4572  121.711 5.8651  -10.39179      8.723230  
1 1 1 12  55  6  o 3.6810  1.8179  -59.3280   26.363   -56.7312   26.473   -369.3984  289.275  3.7496  1.8460  14.324  6.8144  -10.57405      7.059984  
1 1 1 12  55  7  o 240.711 6.3363  31578.01   1651.97  30757.34   2338.52  32395.50   2333.97  236.763 9.1192  243.073 8.8652  -6.310104      12.71816  
1 1 1 12  55  8  o 106.537 4.2154  6166.51    486.419  5377.49    692.237  6936.07    683.645  99.064  6.4875  112.852 5.5931  -13.78820      8.565611  
1 1 1 12  55  9  o 196.585 6.1074  21090.17   1300.40  20339.56   2146.33  21525.51   1634.56  191.407 10.392  198.182 7.6149  -6.775604      12.88336  
1 1 1 12  55  10 o 58.916  2.7469  1883.18    175.284  2449.34    371.740  1721.32    198.768  66.840  5.1752  56.210  3.2791  10.62985       6.126601  
1 1 1 12  55  11 o 103.637 2.6412  5828.04    296.475  7939.17    701.624  5369.16    327.113  120.590 5.3718  99.442  3.0371  21.14793       6.170945  
1 1 1 12  55  12 o 57.832  2.9455  1821.07    183.888  2115.92    500.679  1775.10    197.706  61.463  7.6893  57.066  3.2118  4.396893       8.333138  
1 1 1 12  55  13 o 14.226  5.4331  76.374     116.547  29.338     408.254  80.548     121.607  22.580  9.5876  14.556  5.5520  8.024675       11.07910  
1 1 1 12  55  14 o 84.442  3.0184  3876.29    276.058  2858.49    615.420  4132.68    308.876  71.250  8.1198  87.161  3.2719  -15.91074      8.754189  
1 1 1 12  55  15 o 194.459 3.8732  20626.59   815.761  19291.59   1656.65  21053.91   937.269  185.725 8.2355  196.254 4.4094  -10.52869      9.341603  
1 1 1 12  55  16 o 50.593  2.4042  1390.61    131.745  801.994    483.697  1437.78    136.922  36.918  11.154  51.440  2.4576  -14.52127      11.42197  
1 1 1 12  55  17 o 129.901 3.2090  9197.27    451.498  8701.88    940.491  9345.63    514.685  124.687 6.9923  130.827 3.6322  -6.139595      7.879420  
1 1 1 12  55  18 o 76.243  3.2268  3171.96    266.469  2569.62    578.365  3334.27    300.233  66.860  8.1557  78.108  3.5489  -11.24753      8.894357  
1 1 1 12  55  19 f 104.251 3.4208  5944.02    386.254  5866.55    742.421  5972.78    452.285  101.928 6.7633  104.314 4.0031  -2.386047      7.859247  
1 1 1 12  55  20 o 66.149  3.2809  2394.73    235.063  2060.00    536.249  2474.34    261.528  59.070  8.6368  67.072  3.6134  -8.002056      9.362201  
1 1 1 12  55  21 o 38.716  4.6859  842.416    192.499  806.649    454.586  850.232    212.491  35.887  10.807  38.741  5.1949  -2.853561      11.99076  
1 1 1 12  55  22 o 50.398  2.5357  1390.87    137.970  1401.78    494.231  1389.95    143.682  47.142  9.9900  50.357  2.6436  -3.215557      10.33382  
1 1 1 12  55  23 o 17.789  7.0502  123.388    202.062  365.889    430.119  54.714     228.892  26.292  10.329  17.106  7.2163  9.185892       12.59975  
1 1 1 12  55  24 o 48.929  5.2945  1392.11    276.104  0.0000     0.0000   1392.11    276.104  ?       ?       48.929  5.2945  0.000000       5.294452  
1 1 1 12  55  25 o 33.395  8.6822  745.729    316.956  0.0000     0.0000   745.729    316.956  ?       ?       33.395  8.6822  0.000000       8.682197  
1 1 1 12  55  26 o 40.798  8.5962  1121.20    367.866  0.0000     0.0000   1121.20    367.866  ?       ?       40.798  8.5962  0.000000       8.596159  
1 1 1 12  55  27 o 39.555  8.7902  1090.93    366.818  0.0000     0.0000   1090.93    366.818  ?       ?       39.555  8.7902  0.000000       8.790191  
1 1 1 12  55  28 o 25.290  9.5879  456.327    361.281  0.0000     0.0000   456.327    361.281  ?       ?       25.290  9.5879  0.000000       9.587900  
1 1 1 12  56  0  o 266.421 4.7211  38533.94   1362.32  38500.63   1927.48  38567.20   1925.75  265.977 6.6908  266.209 6.6789  -0.2321472     9.453815  
1 1 1 12  56  1  o 57.782  3.2901  1816.19    205.053  2188.11    408.060  1690.55    237.173  63.150  6.0396  55.683  3.9583  7.466831       7.221195  
1 1 1 12  56  2  o 71.912  4.3410  2816.90    336.529  2927.29    465.703  2696.25    486.849  73.134  5.9303  70.094  6.4863  3.040314       8.788671  
1 1 1 12  56  3  o 72.976  3.2213  2887.70    254.615  2801.41    298.961  3115.56    485.827  71.754  3.8610  75.448  5.9945  -3.694008      7.130336  
1 1 1 12  56  4  o 215.266 5.8220  25205.93   1357.44  26201.43   1920.84  24212.78   1918.57  219.028 8.0970  210.480 8.4158  8.547333       11.67847  
1 1 1 12  56  5  o 263.610 6.7994  37877.27   1941.34  35681.34   2746.39  40070.24   2744.54  254.917 9.9470  270.348 9.3730  -15.43130      13.66733  
1 1 1 12  56  6  o 272.783 6.9939  40602.04   2066.36  39194.67   2923.99  42006.09   2920.55  266.922 10.114  276.481 9.7528  -9.558411      14.05025  
1 1 1 12  56  7  o 21.533  7.5258  225.299    216.182  201.559    311.750  247.289    300.040  23.180  8.8781  23.863  8.8006  -0.6823654     12.50088  
1 1 1 12  56  8  o 192.346 5.8676  20171.96   1222.40  17858.54   2000.25  21551.00   1544.35  179.434 10.336  198.479 7.1839  -19.04448      12.58730  
1 1 1 12  56  9  o 117.032 4.2889  7448.12    543.651  6978.75    773.084  7907.32    764.664  112.834 6.3517  120.370 5.8652  -7.536789      8.645459  
1 1 1 12  56  10 o 146.145 3.3006  11599.74   522.457  14756.52   951.470  10237.04   625.133  164.457 5.3416  137.170 4.2077  27.28633       6.799814  
1 1 1 12  56  11 f 93.539  2.8097  4749.71    284.662  5369.75    659.068  4607.51    315.620  98.814  6.1892  92.098  3.1640  6.716003       6.951094  
1 1 1 12  56  12 o 66.457  2.8949  2398.73    208.371  2799.11    530.857  2325.81    226.554  70.966  6.9975  65.418  3.1974  5.548470       7.693440  
1 1 1 12  56  13 o 32.180  4.1348  573.680    140.785  733.565    431.619  554.644    148.930  35.672  10.480  31.572  4.4810  4.100119       11.39757  
1 1 1 12  56  14 o 106.642 3.0134  6183.40    348.058  6087.71    753.056  6209.40    392.497  104.803 6.6688  106.809 3.3928  -2.005905      7.482275  
1 1 1 12  56  15 o 125.253 3.0868  8537.34    418.763  8892.94    884.893  8434.72    475.362  126.645 6.4727  124.406 3.5279  2.238907       7.371682  
1 1 1 12  56  16 o 32.293  1.9728  568.096    68.669   947.411    436.972  558.492    69.532   39.930  10.097  32.013  2.0156  7.916203       10.29671  
1 1 1 12  56  17 o 29.302  5.7567  490.658    176.184  -40.6125   446.140  588.818    191.770  22.338  9.7546  32.181  5.7111  -9.842407      11.30343  
1 1 1 12  56  18 o 57.233  3.5458  1797.51    218.718  1686.71    502.583  1823.40    242.928  53.598  8.9747  57.562  3.9198  -3.963688      9.793345  
1 1 1 12  56  19 o 77.192  3.7068  3265.59    309.914  2888.64    584.574  3412.95    365.507  70.849  7.7440  78.639  4.3077  -7.790184      8.861456  
1 1 1 12  56  20 o ?       ?       -138.8532  29.969   -276.6489  416.872  -138.1374  30.047   18.755  8.6800  ?       ?       0.000000       8.679993  
1 1 1 12  56  21 o 26.874  5.6656  419.494    159.713  840.473    325.808  286.334    183.240  37.322  8.2768  22.318  6.8895  15.00374       10.76897  
1 1 1 12  56  22 o 68.570  3.4154  2589.24    253.660  2385.71    551.934  2643.74    285.611  62.938  8.2991  69.040  3.8346  -6.102524      9.142125  
1 1 1 12  56  23 o 72.467  2.7116  2884.74    212.835  2874.95    574.301  2886.30    229.152  68.542  7.8792  72.404  2.9221  -3.861679      8.403568  
1 1 1 12  56  24 o 40.306  7.0848  1000.41    298.005  0.0000     0.0000   1000.41    298.005  ?       ?       40.306  7.0848  0.000000       7.084780  
1 1 1 12  56  25 o 19.721  8.1246  154.061    280.182  0.0000     0.0000   154.061    280.182  ?       ?       19.721  8.1246  0.000000       8.124583  
1 1 1 12  56  26 o 41.772  7.2146  1110.66    314.612  0.0000     0.0000   1110.66    314.612  ?       ?       41.772  7.2146  0.000000       7.214648  
1 1 1 12  56  27 o 19.649  8.3326  152.120    307.764  0.0000     0.0000   152.120    307.764  ?       ?       19.649  8.3326  0.000000       8.332619  
1 1 1 12  57  0  o 100.204 2.6734  5442.31    290.151  5415.21    411.037  5469.22    409.637  99.911  3.7984  100.410 3.7666  -0.4984894     5.349303  
1 1 1 12  57  1  o 135.261 2.9400  9918.37    430.720  8824.67    615.302  10969.27   603.140  127.498 4.4557  142.188 3.9164  -14.68978      5.932204  
1 1 1 12  57  2  o 100.651 4.1730  5498.31    454.919  4947.39    636.718  6072.81    650.201  95.149  6.2125  105.525 5.7100  -10.37656      8.437969  
1 1 1 12  57  3  o 74.984  4.2641  3062.10    344.880  2833.82    481.541  3302.52    494.171  71.885  6.2469  77.688  5.9174  -5.803818      8.604624  
1 1 1 12  57  4  o 94.228  3.7149  4817.75    379.135  4372.29    488.429  5493.05    601.378  89.550  5.0564  100.342 5.5550  -10.79243      7.511732  
1 1 1 12  57  5  o 124.493 4.4293  8418.59    597.242  8164.85    858.952  8656.09    830.998  122.219 6.5122  126.069 6.0858  -3.849525      8.913257  
1 1 1 12  57  6  o 170.651 5.5957  15855.20   1034.28  16598.81   1651.79  15375.63   1326.51  173.712 8.8080  167.738 7.3015  5.974625       11.44079  
1 1 1 12  57  7  o 150.640 4.7038  12340.97   767.473  12501.67   1089.53  12182.69   1081.26  151.302 6.6485  149.352 6.6842  1.949402       9.427671  
1 1 1 12  57  8  o 78.627  4.1691  3369.77    353.776  3674.78    507.315  3081.03    493.598  81.888  5.7565  74.881  6.1400  7.006851       8.416443  
1 1 1 12  57  9  o 252.194 7.5774  34930.67   2069.78  34487.97   3577.89  35153.34   2537.46  246.609 13.446  252.113 9.2925  -5.504364      16.34456  
1 1 1 12  57  10 o 92.651  2.9903  4660.57    300.078  6215.62    628.377  4201.18    341.538  106.548 5.4635  87.918  3.5867  18.62971       6.535583  
1 1 1 12  57  11 o 63.164  2.8530  2166.36    195.186  2948.54    521.155  2038.75    210.507  72.972  6.6676  61.173  3.1882  11.79843       7.390590  
1 1 1 12  57  12 o 106.995 2.9012  6218.84    336.212  6607.18    740.333  6117.94    377.371  109.497 6.2685  106.078 3.2845  3.419441       7.076857  
1 1 1 12  57  13 o 19.711  5.5801  218.619    124.512  -130.2683  416.499  252.860    130.480  20.764  9.2305  21.104  5.6114  -0.3399677     10.80229  
1 1 1 12  57  14 o 67.875  2.9873  2505.26    219.617  3366.37    534.656  2330.47    240.876  77.861  6.3964  65.336  3.4157  12.52567       7.251323  
1 1 1 12  57  15 o 36.503  1.4267  722.371    56.407   797.799    432.872  721.068    56.892   36.792  10.400  36.469  1.4403  0.3222885      10.49969  
1 1 1 12  57  16 o 109.579 2.9980  6537.41    355.818  6979.04    760.794  6413.76    402.559  112.045 6.2946  108.449 3.4272  3.596024       7.167094  
1 1 1 12  57  17 o 75.554  3.1393  3112.23    256.896  3546.83    576.876  3004.72    286.916  79.430  6.7700  74.164  3.5718  5.266396       7.654495  
1 1 1 12  57  18 o 52.957  2.1394  1524.27    122.709  1614.98    487.393  1518.13    126.794  52.384  8.9094  52.843  2.2153  -0.4590797     9.180653  
1 1 1 12  57  19 o 12.729  5.8397  -121.5662  182.876  -678.6279  417.127  10.985     203.474  15.724  7.6529  15.815  6.7430  -0.9071636E-01 10.19979  
1 1 1 12  57  20 o 17.782  1.4835  172.818    28.312   -126.2800  415.158  174.216    28.378   20.216  9.0845  17.855  1.4808  2.360735       9.204380  
1 1 1 12  57  21 o 24.346  6.5691  349.292    177.227  55.538     436.769  407.191    193.908  22.687  9.7800  26.214  6.7790  -3.527346      11.89972  
1 1 1 12  57  22 o 27.800  6.2590  459.801    183.919  371.303    448.927  477.651    201.615  26.937  10.561  28.202  6.6997  -1.265383      12.50710  
1 1 1 12  57  23 o 21.176  7.4451  255.306    211.720  0.0000     0.0000   255.306    211.720  ?       ?       21.176  7.4451  0.000000       7.445145  
1 1 1 12  57  24 o 28.483  8.1752  525.267    265.410  0.0000     0.0000   525.267    265.410  ?       ?       28.483  8.1752  0.000000       8.175186  
1 1 1 12  57  25 o 22.029  8.2932  279.703    269.147  0.0000     0.0000   279.703    269.147  ?       ?       22.029  8.2932  0.000000       8.293198  
1 1 1 12  57  26 o 42.493  7.7190  1175.78    342.181  0.0000     0.0000   1175.78    342.181  ?       ?       42.493  7.7190  0.000000       7.719033  
1 1 1 12  57  27 o 36.161  8.9083  923.864    346.630  0.0000     0.0000   923.864    346.630  ?       ?       36.161  8.9083  0.000000       8.908328  
1 1 1 12  58  0  o 201.475 3.7522  22022.83   818.808  22352.14   1159.21  21694.92   1156.73  202.795 5.2776  199.782 5.3457  3.012970       7.511966  
1 1 1 12  58  1  o 176.541 3.2272  16901.69   617.088  18049.99   872.885  15754.39   872.503  182.329 4.4201  170.309 4.7300  12.02040       6.473783  
1 1 1 12  58  2  o 124.940 3.0791  8464.65    416.674  9348.30    729.725  8037.17    507.551  131.147 5.1372  121.700 3.8505  9.447769       6.420108  
1 1 1 12  58  3  o 156.532 4.7874  13313.28   811.654  12554.22   1145.66  14078.19   1150.06  151.724 6.9716  160.726 6.6064  -9.002472      9.604532  
1 1 1 12  58  4  f 171.171 5.0327  15929.57   933.034  16226.88   1319.25  15632.02   1319.77  172.433 7.0638  169.217 7.2008  3.215637       10.08707  
1 1 1 12  58  5  o 120.903 4.3449  7941.48    568.970  7522.89    805.736  8357.81    803.558  117.289 6.3664  123.853 5.9902  -6.564056      8.741481  
1 1 1 12  58  6  o 97.699  4.1749  5186.02    441.780  5519.04    629.475  4862.77    620.172  100.470 5.8094  94.238  6.1089  6.232513       8.430140  
1 1 1 12  58  7  o 48.375  5.0323  1287.48    259.809  1290.83    373.698  1284.34    361.460  48.006  7.4269  47.932  7.1838  0.7411957E-01  10.33271  
1 1 1 12  58  8  o 98.193  3.8214  5239.46    406.421  5790.09    541.309  4528.00    615.308  103.117 4.8467  90.807  6.2950  12.31024       7.944625  
1 1 1 12  58  9  o 157.190 4.8049  13463.58   818.051  14427.22   1187.70  12593.81   1128.38  162.233 6.7592  151.543 6.8746  10.68985       9.640926  
1 1 1 12  58  10 o 21.795  4.4294  268.084    100.996  269.009    437.561  268.032    103.799  26.965  10.467  21.778  4.5474  5.187370       11.41214  
1 1 1 12  58  11 o 98.743  2.6010  5292.54    278.180  5795.50    508.847  5078.15    332.220  103.082 4.5576  96.668  3.1730  6.413712       5.553345  
1 1 1 12  58  12 o 44.712  1.8075  1084.03    87.532   1140.19    102.999  938.020    166.081  45.847  2.0742  41.340  3.7500  4.507027       4.285454  
1 1 1 12  58  13 o 68.896  2.9651  2580.24    221.260  1983.68    540.918  2700.11    242.473  58.997  8.7285  70.459  3.1773  -11.46157      9.288816  
1 1 1 12  58  14 o 69.604  2.9785  2635.01    224.544  2855.45    539.673  2588.86    246.934  71.423  7.0691  68.957  3.3062  2.465881       7.804078  
1 1 1 12  58  15 o 36.846  1.6813  736.378    67.097   526.485    438.472  741.411    67.896   31.213  10.729  36.972  1.6955  -5.758907      10.86195  
1 1 1 12  58  16 o 78.817  3.0756  3383.83    262.554  3493.84    585.456  3356.14    293.749  78.890  6.9218  78.434  3.4578  0.4553757      7.737379  
1 1 1 12  58  17 o 112.895 3.1042  6949.69    379.574  6087.20    801.474  7199.07    430.970  103.915 7.1648  114.806 3.4659  -10.89112      7.959017  
1 1 1 12  58  18 o 31.346  5.3042  558.315    173.657  611.021    449.461  549.066    188.277  32.463  10.865  30.942  5.8318  1.520660       12.33154  
1 1 1 12  58  19 f 108.630 3.6775  6472.33    432.686  6506.34    778.931  6457.16    520.352  107.141 6.7468  108.189 4.4406  -1.048820      8.077036  
1 1 1 12  58  20 o 66.040  4.0618  2411.35    289.128  2055.39    543.621  2551.75    341.422  58.771  8.8118  67.718  4.6838  -8.947002      9.979256  
1 1 1 12  58  21 o 82.784  2.7651  3747.65    247.926  3804.74    624.858  3736.98    270.096  80.920  7.2048  82.589  3.0194  -1.668861      7.811890  
1 1 1 12  58  22 o 54.202  3.8175  1637.70    222.685  1710.29    507.917  1620.43    247.767  51.984  9.3654  53.713  4.2948  -1.728497      10.30317  
1 1 1 12  58  23 o 23.255  7.6791  328.280    224.713  0.0000     0.0000   328.280    224.713  ?       ?       23.255  7.6791  0.000000       7.679088  
1 1 1 12  58  24 o 19.225  7.7640  152.523    249.807  0.0000     0.0000   152.523    249.807  ?       ?       19.225  7.7640  0.000000       7.763954  
1 1 1 12  58  25 o 38.314  8.2521  967.525    332.334  0.0000     0.0000   967.525    332.334  ?       ?       38.314  8.2521  0.000000       8.252134  
1 1 1 12  58  26 o 28.830  8.6264  576.566    290.327  0.0000     0.0000   576.566    290.327  ?       ?       28.830  8.6264  0.000000       8.626410  
1 1 1 12  58  27 o 25.197  8.8475  440.648    298.941  0.0000     0.0000   440.648    298.941  ?       ?       25.197  8.8475  0.000000       8.847461  
1 1 1 12  59  0  o 249.373 4.8262  33788.27   1303.54  32010.81   1985.71  35134.30   1728.00  242.145 7.5713  254.003 6.2811  -11.85727      9.837510  
1 1 1 12  59  1  o 57.441  2.7096  1788.71    168.575  1807.90    237.465  1769.22    239.349  57.591  3.8287  56.961  3.9031  0.6296692      5.467475  
1 1 1 12  59  2  o 168.207 3.3820  15348.88   616.158  17732.35   1086.28  14218.26   748.159  180.532 5.5554  161.811 4.2689  18.72137       7.006152  
1 1 1 12  59  3  o 143.165 4.7796  11140.22   741.130  10276.06   1114.50  11825.34   992.340  136.926 7.5440  147.315 6.2193  -10.38889      9.777083  
1 1 1 12  59  4  o 60.779  4.5133  2018.47    294.986  2082.82    411.757  1950.63    422.809  61.496  6.2696  59.422  6.6855  2.074257       9.165332  
1 1 1 12  59  5  o 51.726  4.9053  1468.37    271.533  1646.69    387.450  1296.25    380.651  54.516  6.7030  48.108  7.5542  6.407410       10.09930  
1 1 1 12  59  6  o 220.457 6.8301  26568.89   1630.87  27507.45   2757.86  26064.19   2022.37  222.143 11.502  217.767 8.5743  4.376602       14.34596  
1 1 1 12  59  7  f 169.106 5.0042  15574.79   916.571  15227.53   1299.59  15918.46   1292.89  166.708 7.1975  170.501 7.0010  -3.793472      10.04084  
1 1 1 12  59  8  o 53.425  5.2126  1570.98    297.789  1490.31    503.517  1614.37    369.298  51.117  9.4423  53.941  6.4489  -2.823551      11.43445  
1 1 1 12  59  9  o 60.256  4.8551  1992.28    314.174  2074.34    523.890  1946.19    392.605  60.794  8.1624  59.305  6.2040  1.489307       10.25252  
1 1 1 12  59  10 o 153.180 2.9979  12744.17   497.382  14714.28   1055.00  12181.14   563.994  163.897 5.9431  149.683 3.4788  14.21451       6.886402  
1 1 1 12  59  11 f 107.056 2.8374  6224.82    328.999  6828.99    737.859  6074.90    367.559  111.372 6.1406  105.715 3.2101  5.656586       6.929018  
1 1 1 12  59  12 o 53.706  3.1527  1573.53    182.587  848.130    490.779  1690.06    196.706  38.200  11.161  55.649  3.2780  -17.44879      11.63272  
1 1 1 12  59  13 o 41.725  3.6030  955.251    161.230  1144.58    460.118  928.750    172.144  44.212  9.8597  41.088  3.9155  3.123360       10.60874  
1 1 1 12  59  14 o 49.853  3.2285  1358.69    173.389  1861.71    478.703  1282.73    186.020  57.223  7.9374  48.380  3.5753  8.842941       8.705473  
1 1 1 12  59  15 o 25.986  5.4534  385.352    148.597  266.383    425.385  401.887    158.588  26.314  10.291  26.509  5.6933  -0.1955090     11.76063  
1 1 1 12  59  16 o 33.987  4.7171  646.121    168.958  899.270    439.509  602.222    183.022  38.740  10.298  32.640  5.3634  6.100056       11.61075  
1 1 1 12  59  17 o 33.391  4.9506  627.395    173.617  586.347    442.592  634.860    188.745  32.065  10.782  33.483  5.3871  -1.418644      12.05273  
1 1 1 12  59  18 o 76.993  3.1583  3237.45    263.375  2887.71    587.221  3325.52    294.677  70.867  7.7783  77.961  3.4898  -7.093323      8.525299  
1 1 1 12  59  19 o 54.057  2.6429  1593.23    154.742  1822.86    511.968  1570.15    162.335  55.430  8.8235  53.569  2.8076  1.860554       9.259379  
1 1 1 12  59  20 o 12.069  5.7083  -215.1730  197.316  143.627    415.456  -319.6791  224.217  23.556  9.8150  12.062  5.8072  11.49428       11.40432  
1 1 1 12  59  21 o 57.268  3.7236  1816.99    229.712  2280.17    517.837  1703.52    256.310  61.926  7.9006  55.229  4.3192  6.697357       9.004119  
1 1 1 12  59  22 o 47.238  2.2661  1219.81    115.940  1032.01    488.774  1231.01    119.346  38.713  11.089  47.443  2.3225  -8.729881      11.32969  
1 1 1 12  59  23 o 12.564  5.9479  -213.0207  215.131  0.0000     0.0000   -213.0207  215.131  ?       ?       12.564  5.9479  0.000000       5.947864  
1 1 1 12  59  24 f 24.355  7.8643  375.089    236.281  0.0000     0.0000   375.089    236.281  ?       ?       24.355  7.8643  0.000000       7.864295  
1 1 1 12  59  25 o 21.193  7.9742  257.032    248.773  0.0000     0.0000   257.032    248.773  ?       ?       21.193  7.9742  0.000000       7.974175  
1 1 1 12  59  26 o 26.980  8.5685  503.674    281.382  0.0000     0.0000   503.674    281.382  ?       ?       26.980  8.5685  0.000000       8.568545  
1 1 1 12  59  27 o 22.899  8.9796  325.826    324.567  0.0000     0.0000   325.826    324.567  ?       ?       22.899  8.9796  0.000000       8.979582  
1 1 1 12  60  0  o 74.976  2.6230  3047.60    213.010  2856.36    302.617  3235.40    299.886  72.437  3.8711  77.216  3.5857  -4.778511      5.276647  
1 1 1 12  60  1  o 66.065  2.5823  2366.18    184.778  2373.37    260.267  2358.87    262.376  66.030  3.6534  65.823  3.6952  0.2067719      5.196353  
1 1 1 12  60  2  o 129.525 3.0140  9099.23    422.825  10227.37   755.309  8584.33    510.273  137.128 5.0855  125.755 3.7464  11.37292       6.316408  
1 1 1 12  60  3  o 153.091 4.7498  12742.71   787.575  13346.79   1112.98  12136.84   1114.62  156.395 6.5705  149.079 6.9030  7.315735       9.530107  
1 1 1 12  60  4  o 117.135 4.2789  7456.00    542.867  7074.48    765.132  7842.75    770.355  113.713 6.2362  119.945 5.9298  -6.232613      8.605344  
1 1 1 12  60  5  o 153.706 4.7442  12852.71   789.821  13630.76   1120.42  12084.15   1113.56  157.967 6.5485  148.662 6.9158  9.305237       9.524282  
1 1 1 12  60  6  o 40.742  5.6487  922.238    242.562  1179.66    349.927  684.146    336.534  45.856  7.2895  34.592  8.9235  11.26406       11.52236  
1 1 1 12  60  7  o 106.729 4.1656  6195.47    481.536  6868.40    686.879  5545.12    675.259  112.028 5.6794  100.517 6.2332  11.51166       8.432581  
1 1 1 12  60  8  o 86.718  4.3105  4093.52    404.864  4681.02    633.125  3687.07    526.606  92.239  6.3764  81.895  5.9782  10.34407       8.740547  
1 1 1 12  60  9  o 67.284  5.2376  2487.10    378.686  2099.90    551.856  2831.67    520.596  61.020  8.5875  71.489  6.8056  -10.46861      10.95728  
1 1 1 12  60  10 o 50.558  2.8488  1392.52    155.365  2720.03    485.732  1241.22    163.980  70.081  6.4723  47.685  3.1934  22.39657       7.217227  
1 1 1 12  60  11 o 81.516  2.7941  3609.20    246.694  3942.72    602.746  3542.09    270.377  84.372  6.6497  80.728  3.0923  3.644051       7.333501  
1 1 1 12  60  12 o 37.445  3.5743  770.221    143.199  959.091    454.358  749.391    150.889  40.428  10.336  36.890  3.8323  3.537273       11.02388  
1 1 1 12  60  13 o 50.110  3.2638  1372.43    176.171  1526.12    479.873  1348.49    189.396  51.456  8.9344  49.627  3.5469  1.828663       9.612715  
1 1 1 12  60  14 o 122.252 3.0170  8132.83    399.489  9113.30    859.988  7863.04    451.115  128.430 6.1824  120.115 3.4675  8.315262       7.088406  
1 1 1 12  60  15 o 66.140  3.0928  2382.41    221.559  1932.30    533.015  2476.43    243.602  57.867  8.7800  67.401  3.3369  -9.534477      9.392737  
1 1 1 12  60  16 f 10.340  4.8181  -120.3927  131.854  214.649    411.537  -158.7200  139.192  25.059  10.020  10.150  4.7989  14.90907       11.10955  
1 1 1 12  60  17 o 6.2103  2.6026  3.1261     29.455   -168.5199  414.684  3.9965     29.530   19.962  9.0146  6.2647  2.6140  13.69738       9.386004  
1 1 1 12  60  18 o 34.361  5.1392  667.673    185.388  152.109    457.592  768.913    202.775  24.786  10.312  36.899  5.2193  -12.11296      11.55752  
1 1 1 12  60  19 o 34.848  2.1163  662.976    79.500   815.235    461.186  658.313    80.708   36.264  10.877  34.720  2.1569  1.544487       11.08902  
1 1 1 12  60  20 f 19.713  7.3502  181.530    210.424  -146.8838  436.735  280.817    240.135  20.412  9.2315  22.789  7.9337  -2.376699      12.17223  
1 1 1 12  60  21 o 59.697  3.6631  1975.55    235.702  1644.59    528.391  2057.76    263.355  50.901  9.9409  60.788  4.0227  -9.886646      10.72396  
1 1 1 12  60  22 o 15.981  6.5277  76.242     178.955  0.0000     0.0000   76.242     178.955  ?       ?       15.981  6.5277  0.000000       6.527744  
1 1 1 12  60  23 o 17.576  7.0812  116.084    207.266  0.0000     0.0000   116.084    207.266  ?       ?       17.576  7.0812  0.000000       7.081158  
1 1 1 12  60  24 o 14.382  6.6069  -114.1212  235.209  0.0000     0.0000   -114.1212  235.209  ?       ?       14.382  6.6069  0.000000       6.606887  
1 1 1 12  60  25 o 14.917  6.9426  -155.7467  272.455  0.0000     0.0000   -155.7467  272.455  ?       ?       14.917  6.9426  0.000000       6.942642  
1 1 1 12  60  26 o 26.148  9.0361  477.037    311.233  0.0000     0.0000   477.037    311.233  ?       ?       26.148  9.0361  0.000000       9.036140  
1 1 1 12  61  0  o 205.121 3.9356  22846.62   874.359  21371.33   1236.14  24323.79   1236.92  198.086 5.7616  211.399 5.4022  -13.31322      7.898084  
1 1 1 12  61  1  o 111.756 2.8226  6773.13    341.661  6722.88    476.957  6826.10    489.657  111.265 3.9578  112.110 4.0325  -0.8449707     5.650259  
1 1 1 12  61  2  o 181.122 3.7572  17811.75   737.061  17936.03   1290.85  17751.63   897.806  181.271 6.5747  180.702 4.5872  0.5690308      8.016839  
1 1 1 12  61  3  o 224.831 6.0135  27565.09   1464.37  26065.15   2070.15  29067.30   2071.72  217.780 8.7763  230.154 8.3108  -12.37358      12.08691  
1 1 1 12  61  4  o 96.517  4.1361  5062.57    432.382  5083.48    609.014  5041.31    613.977  96.372  5.8624  95.957  5.9367  0.4153061      8.343360  
1 1 1 12  61  5  o 124.997 4.3715  8497.43    591.835  8545.01    839.664  8450.45    834.323  125.079 6.1980  124.386 6.1929  0.6931229      8.761683  
1 1 1 12  61  6  o 162.649 4.8760  14410.20   858.982  15305.51   1219.05  13527.29   1210.57  167.188 6.7320  157.074 7.1156  10.11298       9.795527  
1 1 1 12  61  7  o 46.645  5.5852  1204.72    276.559  1571.19    464.739  1003.79    344.122  52.745  8.4181  42.057  7.8430  10.68777       11.50551  
1 1 1 12  61  8  o 79.761  4.8579  3482.18    417.672  3891.69    603.566  3105.87    578.580  83.954  6.6933  74.815  7.2302  9.138451       9.852726  
1 1 1 12  61  9  o 87.364  4.7244  4175.60    445.381  4420.68    644.005  3950.93    616.615  89.452  6.6956  84.514  6.7936  4.937820       9.538563  
1 1 1 12  61  10 o 157.711 3.0437  13515.14   519.914  14957.05   1170.95  13161.07   580.247  164.908 6.5558  155.558 3.4439  9.349777       7.405352  
1 1 1 12  61  11 o 180.811 3.1974  17776.33   626.180  22418.69   1304.58  16386.61   713.778  202.050 5.9613  173.456 3.7993  28.59341       7.069072  
1 1 1 12  61  12 o 32.398  3.9230  580.477    134.852  1085.67    450.428  530.737    141.334  43.053  9.8702  30.882  4.3457  12.17112       10.78456  
1 1 1 12  61  13 o 77.782  2.4402  3286.21    205.575  3272.34    324.377  3295.52    265.761  77.444  3.8671  77.815  3.1532  -0.3707199     4.989752  
1 1 1 12  61  14 o 78.003  2.4176  3305.66    204.255  3623.83    574.000  3259.53    218.561  80.578  6.6359  77.437  2.6059  3.141426       7.129256  
1 1 1 12  61  15 o 67.605  2.9889  2488.94    218.861  3007.38    539.297  2386.72    239.467  73.151  6.8878  66.071  3.3573  7.079964       7.662466  
1 1 1 12  61  16 o 106.448 3.0385  6176.73    350.318  5119.53    753.781  6467.99    395.641  95.156  7.3712  108.851 3.3558  -13.69489      8.099159  
1 1 1 12  61  17 o 89.751  3.0061  4394.06    292.218  4319.32    644.560  4413.40    327.846  87.425  6.8621  89.865  3.3683  -2.439545      7.644233  
1 1 1 12  61  18 o 88.445  3.0700  4273.21    294.095  4687.97    647.320  4165.33    330.134  91.010  6.6121  87.210  3.4950  3.799286       7.478972  
1 1 1 12  61  19 o 79.155  3.7519  3441.67    321.663  3539.71    608.572  3403.67    378.917  78.502  7.2390  78.361  4.4831  0.1413803      8.514815  
1 1 1 12  61  20 o 65.885  2.8289  2374.01    201.867  2247.52    552.259  2393.51    216.875  61.287  8.5527  66.108  3.0289  -4.820393      9.073174  
1 1 1 12  61  21 o 52.477  3.9599  1537.13    223.412  1214.64    503.966  1616.01    249.241  42.687  10.871  53.662  4.3250  -10.97491      11.69961  
1 1 1 12  61  22 o 18.539  7.0801  162.814    197.905  0.0000     0.0000   162.814    197.905  ?       ?       18.539  7.0801  0.000000       7.080070  
1 1 1 12  61  23 o 26.752  8.1919  458.357    259.658  0.0000     0.0000   458.357    259.658  ?       ?       26.752  8.1919  0.000000       8.191878  
1 1 1 12  61  24 o 13.454  6.3662  -222.0623  245.903  0.0000     0.0000   -222.0623  245.903  ?       ?       13.454  6.3662  0.000000       6.366177  
1 1 1 12  61  25 o 24.928  8.0663  409.700    248.475  0.0000     0.0000   409.700    248.475  ?       ?       24.928  8.0663  0.000000       8.066273  
1 1 1 12  61  26 o 21.817  8.1443  291.139    258.496  0.0000     0.0000   291.139    258.496  ?       ?       21.817  8.1443  0.000000       8.144262  
1 1 1 12  62  0  o 49.616  2.7599  1339.19    147.726  1250.18    209.602  1427.04    208.236  47.798  4.0880  51.125  3.7875  -3.326496      5.572881  
1 1 1 12  62  1  o 119.318 2.7614  7721.29    356.867  7615.96    504.089  7827.12    505.285  118.412 3.9304  120.047 3.8861  -1.634338      5.527230  
1 1 1 12  62  2  o 254.758 4.6103  35297.42   1272.13  37483.37   2216.68  34223.92   1553.40  261.487 7.8268  250.567 5.7238  10.91992       9.696422  
1 1 1 12  62  3  o 111.673 4.1180  6777.82    498.086  6425.26    687.752  7166.70    722.317  108.372 5.8813  114.478 5.8450  -6.105949      8.291791  
1 1 1 12  62  4  o 81.147  3.4106  3575.45    299.763  3447.59    368.115  3827.13    516.461  79.508  4.2906  83.561  5.7413  -4.052971      7.167355  
1 1 1 12  62  5  o 33.208  2.0733  600.148    74.198   579.714    76.209   972.201    325.185  32.627  2.1689  41.468  7.5169  -8.840748      7.823549  
1 1 1 12  62  6  o 23.896  7.9086  299.927    238.298  236.999    420.301  329.739    289.288  26.140  10.227  25.452  8.7160  0.6885586      13.43751  
1 1 1 12  62  7  o 118.885 4.5888  7701.26    590.875  7842.27    838.326  7562.07    832.948  119.430 6.5053  117.249 6.5857  2.181152       9.256926  
1 1 1 12  62  8  o 159.579 5.0253  13901.71   868.581  13175.93   1234.76  14612.65   1222.06  154.649 7.3717  163.027 6.9209  -8.377823      10.11140  
1 1 1 12  62  9  o 185.828 5.3966  18890.96   1086.18  19658.01   1544.35  18140.09   1527.97  188.653 7.5581  181.113 7.7892  7.539734       10.85342  
1 1 1 12  62  10 o 44.886  2.9398  1099.30    142.134  2497.15    474.097  961.250    148.987  67.045  6.6150  41.915  3.3087  25.12972       7.396305  
1 1 1 12  62  11 o 60.998  2.8608  2021.87    189.007  2861.25    520.556  1894.41    202.851  71.700  6.7838  58.935  3.1897  12.76547       7.496253  
1 1 1 12  62  12 o 58.618  3.0627  1874.04    193.772  1915.59    514.114  1867.16    209.200  57.970  8.4356  58.474  3.3168  -0.5045395     9.064277  
1 1 1 12  62  13 o 43.021  3.4903  1015.10    161.232  778.153    472.013  1046.40    171.550  36.490  11.018  43.656  3.6619  -7.165974      11.61019  
1 1 1 12  62  14 o 47.352  1.6064  1216.09    82.387   704.288    464.768  1232.69    83.713   34.862  11.006  47.674  1.6212  -12.81234      11.12473  
1 1 1 12  62  15 o 39.416  3.9077  857.814    164.628  881.541    455.047  854.241    176.589  38.327  10.604  39.271  4.2177  -0.9445648     11.41175  
1 1 1 12  62  16 o 66.781  3.0794  2432.24    222.738  2833.27    537.920  2349.25    244.701  70.689  7.1228  65.482  3.4625  5.207100       7.919821  
1 1 1 12  62  17 o 50.693  3.5318  1412.84    192.702  800.255    486.818  1526.67    209.842  36.275  11.235  52.667  3.7022  -16.39162      11.82908  
1 1 1 12  62  18 o 68.097  3.2246  2535.97    237.838  3236.79    554.310  2377.83    263.308  75.382  6.8644  65.735  3.7134  9.646324       7.804435  
1 1 1 12  62  19 o 57.031  4.3079  1806.13    264.133  1586.26    526.397  1880.11    305.357  50.844  9.9150  57.983  4.9083  -7.139103      11.06343  
1 1 1 12  62  20 o 37.185  1.2214  750.316    49.192   537.296    70.547   951.911    68.629   31.339  2.0904  41.862  1.5136  -10.52300      2.580845  
1 1 1 12  62  21 o 29.519  6.2535  520.375    193.721  -21.5640   455.094  640.304    214.085  21.578  9.6169  32.826  6.2496  -11.24855      11.46916  
1 1 1 12  62  22 o 22.746  7.9957  302.116    244.186  0.0000     0.0000   302.116    244.186  ?       ?       22.746  7.9957  0.000000       7.995715  
1 1 1 12  62  23 f 26.658  7.4650  449.918    224.102  0.0000     0.0000   449.918    224.102  ?       ?       26.658  7.4650  0.000000       7.464976  
1 1 1 12  62  24 o 16.159  6.9219  43.283     216.215  0.0000     0.0000   43.283     216.215  ?       ?       16.159  6.9219  0.000000       6.921885  
1 1 1 12  62  25 o 23.773  8.5967  364.314    284.278  0.0000     0.0000   364.314    284.278  ?       ?       23.773  8.5967  0.000000       8.596661  
1 1 1 12  62  26 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  63  0  o 30.098  1.0750  490.702    35.044   506.187    36.170   253.555    141.548  30.569  1.0925  21.257  5.9258  9.312227       6.025659  
1 1 1 12  63  1  f 73.947  2.6949  2965.90    215.838  2999.66    305.064  2932.07    305.418  74.213  3.8081  73.364  3.8571  0.8486862      5.420243  
1 1 1 12  63  2  o 113.512 2.6181  6988.48    321.889  6943.82    455.154  7033.16    455.285  113.062 3.7168  113.789 3.6941  -0.7270966     5.240378  
1 1 1 12  63  3  o 211.184 5.7516  24338.97   1315.60  22788.48   1859.42  25893.16   1861.65  203.450 8.4382  217.079 7.9179  -13.62880      11.57136  
1 1 1 12  63  4  o 142.290 4.5793  11021.29   705.739  10848.71   997.728  11194.11   998.403  140.793 6.5427  143.039 6.4444  -2.246078      9.183540  
1 1 1 12  63  5  o 58.974  4.9577  1908.93    313.733  1779.61    501.716  1991.97    402.031  56.189  8.5103  60.017  6.2775  -3.828060      10.57510  
1 1 1 12  63  6  o 58.019  5.3712  1853.47    333.702  1292.66    493.122  2327.25    453.247  47.353  9.9318  64.838  6.5436  -17.48489      11.89368  
1 1 1 12  63  7  o 79.342  4.8303  3446.28    413.120  3240.68    583.838  3652.45    584.642  76.438  7.1345  81.295  6.6995  -4.857048      9.786980  
1 1 1 12  63  8  o 46.373  6.8288  1206.91    332.718  1089.06    485.855  1310.98    456.576  43.218  10.486  47.787  9.1546  -4.569145      13.91997  
1 1 1 12  63  9  o 124.561 4.6479  8468.63    627.055  8569.09    897.182  8372.69    876.752  124.614 6.6715  123.200 6.5944  1.413956       9.380524  
1 1 1 12  63  10 f 43.315  3.1156  1025.18    145.191  1259.13    473.281  1000.88    152.547  46.559  9.7001  42.770  3.3190  3.789295       10.25219  
1 1 1 12  63  11 o 60.657  2.1004  1996.43    137.993  2159.90    189.940  1813.69    200.817  63.046  2.7816  57.649  3.2291  5.396500       4.261981  
1 1 1 12  63  12 o 104.346 2.8097  5919.39    317.546  6792.78    716.001  5705.54    354.295  110.872 5.9846  102.386 3.1949  8.485710       6.783969  
1 1 1 12  63  13 o 103.239 2.8275  5796.78    316.161  7099.98    711.342  5475.97    352.937  113.334 5.8145  100.272 3.2497  13.06214       6.660997  
1 1 1 12  63  14 f 98.865  2.7789  5317.99    297.564  5356.81    707.555  5309.65    327.978  97.920  6.7120  98.737  3.0669  -0.8174591     7.379426  
1 1 1 12  63  15 o 39.870  3.9116  877.935    166.740  867.848    461.760  879.447    178.805  37.972  10.745  39.844  4.2068  -1.872444      11.53879  
1 1 1 12  63  16 o 46.463  3.7254  1188.96    185.904  1039.42    476.437  1215.82    201.909  41.292  10.599  46.927  4.0111  -5.634335      11.33274  
1 1 1 12  63  17 o 82.593  3.0065  3723.58    268.954  3922.10    606.670  3675.03    300.051  83.190  6.7923  81.968  3.3797  1.222649       7.586676  
1 1 1 12  63  18 f 89.103  3.0710  4338.60    296.372  3868.68    645.650  4464.05    333.594  82.146  7.3338  90.287  3.4113  -8.141052      8.088375  
1 1 1 12  63  19 o 107.137 3.6974  6313.39    429.048  6670.36    783.456  6160.47    512.776  108.040 6.7285  105.446 4.4898  2.593864       8.088964  
1 1 1 12  63  20 o 66.527  4.0525  2462.67    290.614  2106.38    555.544  2596.90    340.991  58.518  9.0577  68.036  4.6554  -9.517323      10.18404  
1 1 1 12  63  21 o ?       ?       -449.5728  33.411   0.0000     0.0000   -449.5728  33.411   ?       ?       ?       ?       0.000000       ?         
1 1 1 12  63  22 o 18.761  7.1909  167.456    204.620  0.0000     0.0000   167.456    204.620  ?       ?       18.761  7.1909  0.000000       7.190933  
1 1 1 12  63  23 o 25.398  7.9782  410.681    244.522  0.0000     0.0000   410.681    244.522  ?       ?       25.398  7.9782  0.000000       7.978248  
1 1 1 12  63  24 o 27.340  8.1451  494.261    259.252  0.0000     0.0000   494.261    259.252  ?       ?       27.340  8.1451  0.000000       8.145127  
1 1 1 12  63  25 o 20.703  7.7536  249.185    234.671  0.0000     0.0000   249.185    234.671  ?       ?       20.703  7.7536  0.000000       7.753636  
1 1 1 12  64  0  o 130.058 2.8699  9177.73    404.270  10003.30   567.829  8329.11    575.700  135.677 3.8640  123.754 4.2950  11.92312       5.777369  
1 1 1 12  64  1  o 138.225 3.0200  10369.21   452.128  10286.58   650.906  10446.26   628.495  137.513 4.3702  138.602 4.1866  -1.088715      6.052003  
1 1 1 12  64  2  o 11.329  4.2478  51.565     70.471   20.702     102.958  78.768     96.662   11.892  4.9147  13.559  4.9960  -1.667680      7.008152  
1 1 1 12  64  3  o 90.356  2.9871  4431.33    292.335  4995.43    562.272  4222.35    342.227  95.530  5.4568  88.156  3.5842  7.374466       6.528687  
1 1 1 12  64  4  o 115.711 3.0487  7269.11    382.088  8794.59    706.495  6638.47    454.251  126.982 5.1368  110.502 3.7954  16.48058       6.386860  
1 1 1 12  64  5  f 120.735 4.4354  7938.93    580.014  7843.67    815.203  8036.60    825.419  119.501 6.3208  120.966 6.3220  -1.464287      8.939775  
1 1 1 12  64  6  f 37.018  7.5223  781.256    291.317  914.428    438.029  675.635    390.094  39.721  10.145  34.398  9.9223  5.322220       14.19077  
1 1 1 12  64  7  o 21.765  8.5225  161.374    292.040  538.062    413.647  -212.9910  412.370  31.554  10.419  19.800  8.9611  11.75401       13.74221  
1 1 1 12  64  8  o 44.643  7.0454  1123.57    329.371  1110.46    482.196  1135.04    450.974  43.625  10.359  44.244  9.6800  -0.6183319     14.17810  
1 1 1 12  64  9  o 59.473  2.6448  1920.63    170.365  3326.41    510.483  1744.44    180.727  77.589  6.1243  56.584  2.9592  21.00469       6.801740  
1 1 1 12  64  10 o 22.137  4.6447  277.696    107.813  687.106    441.393  251.721    111.181  34.690  10.690  21.035  4.9606  13.65455       11.78510  
1 1 1 12  64  11 o 49.405  3.0229  1332.41    160.978  2875.37    485.867  1142.14    170.615  71.941  6.2989  45.665  3.4757  26.27635       7.194212  
1 1 1 12  64  12 o 39.784  3.4899  868.938    148.860  1346.21    467.818  815.169    157.021  48.080  9.3199  38.470  3.8189  9.609756       10.07197  
1 1 1 12  64  13 o 42.643  1.6901  986.327    78.062   1036.75    88.544   810.378    165.398  43.711  1.8702  38.300  4.0485  5.410828       4.459586  
1 1 1 12  64  14 o 43.496  1.7864  1026.64    84.157   915.623    469.489  1030.33    85.542   39.053  10.757  43.573  1.8126  -4.519485      10.90837  
1 1 1 12  64  15 o 56.398  3.2795  1741.61    199.465  1431.80    508.717  1797.90    216.828  48.966  9.9317  57.260  3.5132  -8.293461      10.53472  
1 1 1 12  64  16 o 66.171  3.1432  2390.06    225.272  2736.63    541.288  2317.46    247.747  69.274  7.3253  64.998  3.5324  4.276031       8.132532  
1 1 1 12  64  17 o 63.260  3.2483  2193.45    221.814  2319.62    530.231  2166.69    244.210  63.279  7.9090  62.785  3.6063  0.4944458      8.692413  
1 1 1 12  64  18 o 20.842  2.2278  239.064    49.510   649.500    439.446  233.787    49.827   32.839  10.734  20.601  2.2708  12.23829       10.97113  
1 1 1 12  64  19 o 17.455  6.9761  101.144    199.403  -82.6957   437.297  149.403    224.052  21.062  9.4041  19.232  7.4830  1.830540       12.01800  
1 1 1 12  64  20 o 25.080  7.5123  378.976    220.094  382.101    462.326  378.061    250.273  27.246  10.707  25.146  8.0911  2.100075       13.42010  
1 1 1 12  64  21 o 29.546  1.9008  478.040    60.506   0.0000     0.0000   478.040    60.506   ?       ?       29.546  1.9008  0.000000       1.900829  
1 1 1 12  64  22 o 15.097  6.6974  -33.2099   218.184  0.0000     0.0000   -33.2099   218.184  ?       ?       15.097  6.6974  0.000000       6.697434  
1 1 1 12  64  23 o 28.368  7.8790  520.083    250.726  0.0000     0.0000   520.083    250.726  ?       ?       28.368  7.8790  0.000000       7.879018  
1 1 1 12  64  24 o 19.805  7.5712  209.269    226.455  0.0000     0.0000   209.269    226.455  ?       ?       19.805  7.5712  0.000000       7.571152  
1 1 1 12  64  25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  65  0  o 194.344 3.6651  20523.11   771.486  20397.80   1090.20  20648.81   1091.89  193.421 5.2039  194.613 5.1801  -1.192444      7.342653  
1 1 1 12  65  1  o 152.075 3.2052  12557.36   527.943  12347.37   746.293  12767.71   746.955  150.593 4.5755  153.147 4.5031  -2.554688      6.419744  
1 1 1 12  65  2  o 54.431  1.6347  1605.64    96.374   1745.73    110.371  1156.02    197.732  56.752  1.7956  45.931  4.0150  10.82137       4.398244  
1 1 1 12  65  3  o 123.420 3.2363  8273.12    432.621  9262.43    766.230  7810.15    524.162  130.249 5.4314  119.821 4.0389  10.42892       6.768542  
1 1 1 12  65  4  o 106.055 4.3864  6125.28    503.857  5719.87    707.188  6543.25    718.061  101.964 6.4365  109.167 6.0973  -7.202873      8.865989  
1 1 1 12  65  5  o 121.036 4.5003  7982.89    589.971  8268.01    840.036  7705.37    828.768  122.648 6.3454  118.350 6.4902  4.298309       9.076684  
1 1 1 12  65  6  o 22.097  4.9982  277.085    116.825  458.036    411.802  261.247    121.830  29.926  10.391  21.445  5.2803  8.480209       11.65567  
1 1 1 12  65  7  o 101.441 4.5761  5613.32    502.785  4865.71    712.048  6356.74    710.047  93.725  7.0663  107.475 6.1251  -13.74998      9.351401  
1 1 1 12  65  8  f 113.977 4.5873  7089.97    566.299  7897.28    813.858  6332.23    788.481  119.724 6.2984  107.003 6.8391  12.72048       9.297484  
1 1 1 12  65  9  o 81.124  2.6387  3574.00    231.849  5136.81    588.987  3287.43    252.211  96.612  5.6533  77.772  2.9941  18.83979       6.397243  
1 1 1 12  65  10 o 48.238  3.0998  1270.74    161.098  1694.69    487.934  1218.88    170.668  54.465  8.5532  47.205  3.3600  7.259689       9.189496  
1 1 1 12  65  11 o 96.865  2.7258  5099.61    285.975  5973.38    668.858  4904.15    316.348  103.968 5.9646  94.944  3.0763  9.024162       6.711233  
1 1 1 12  65  12 o 84.337  2.8453  3868.47    259.902  4148.06    618.666  3808.56    286.401  86.265  6.6733  83.639  3.1615  2.625946       7.384317  
1 1 1 12  65  13 o 46.590  3.4470  1190.13    172.709  950.250    485.320  1224.92    184.807  39.829  10.923  47.237  3.6402  -7.408138      11.51332  
1 1 1 12  65  14 o 69.828  2.0630  2648.06    156.027  2379.51    266.713  2787.78    192.380  65.874  3.7537  71.602  2.4807  -5.727211      4.499318  
1 1 1 12  65  15 o 36.215  4.1465  728.365    159.717  1575.25    461.712  613.250    170.226  51.988  8.4930  33.016  4.9097  18.97202       9.810019  
1 1 1 12  65  16 o 33.336  1.8193  605.297    65.439   643.138    453.975  604.494    66.130   33.080  10.914  33.312  1.8400  -0.2318916     11.06827  
1 1 1 12  65  17 o 50.426  2.2696  1383.57    123.956  1310.70    153.378  1520.78    210.472  48.922  2.9077  52.531  3.7233  -3.609501      4.724182  
1 1 1 12  65  18 o 32.039  1.8149  559.640    62.721   683.213    453.118  557.226    63.331   33.435  10.898  31.967  1.8368  1.467575       11.05154  
1 1 1 12  65  19 o 47.685  4.8632  1281.86    247.658  1213.02    496.884  1304.61    285.671  43.414  10.648  47.801  5.6254  -4.387306      12.04270  
1 1 1 12  65  20 o 30.728  7.0626  574.047    230.127  602.968    471.049  564.980    263.744  30.769  11.074  30.143  7.9604  0.6263657      13.63861  
1 1 1 12  65  21 o 24.732  7.6015  376.408    223.342  0.0000     0.0000   376.408    223.342  ?       ?       24.732  7.6015  0.000000       7.601454  
1 1 1 12  65  22 o 23.417  7.8733  334.492    236.009  0.0000     0.0000   334.492    236.009  ?       ?       23.417  7.8733  0.000000       7.873252  
1 1 1 12  65  23 o 19.359  7.4204  190.524    217.894  0.0000     0.0000   190.524    217.894  ?       ?       19.359  7.4204  0.000000       7.420434  
1 1 1 12  65  24 o 44.328  6.2294  1196.80    290.832  0.0000     0.0000   1196.80    290.832  ?       ?       44.328  6.2294  0.000000       6.229386  
1 1 1 12  65  25 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  66  0  o 41.893  3.0959  958.104    139.482  840.397    201.792  1065.80    193.015  38.967  4.8888  44.075  4.0898  -5.108345      6.373914  
1 1 1 12  66  1  o 148.407 3.2479  11962.46   522.074  11318.52   739.744  12601.49   736.913  144.120 4.7390  152.120 4.4726  -8.000397      6.516300  
1 1 1 12  66  2  o 130.640 2.9865  9266.09    422.574  8952.75    600.792  9572.88    594.478  128.234 4.3257  132.630 4.1383  -4.396698      5.986395  
1 1 1 12  66  3  o 67.330  3.3388  2463.15    243.486  2283.42    468.190  2529.78    285.069  64.143  6.8448  68.086  3.8817  -3.943474      7.868883  
1 1 1 12  66  4  o 264.091 4.7237  38030.92   1351.17  42680.92   2357.03  35754.94   1649.01  278.112 7.8248  255.550 5.9577  22.56248       9.834740  
1 1 1 12  66  5  o 194.989 5.5316  20795.69   1168.23  20591.74   1656.46  20997.52   1647.83  193.029 7.9230  194.981 7.8028  -1.951553      11.12012  
1 1 1 12  66  6  o 18.024  5.5329  177.847    118.369  87.973     412.954  185.892    123.553  23.564  9.7991  18.420  5.6525  5.143923       11.31249  
1 1 1 12  66  7  o 41.667  3.7451  952.498    167.209  1987.92    445.243  782.490    180.415  59.666  7.0242  37.609  4.5196  22.05759       8.352646  
1 1 1 12  66  8  o 6.0806  2.9532  -106.3700  61.242   122.171    415.823  -111.4373  61.918   24.076  9.9058  6.0494  2.9452  18.02689       10.33439  
1 1 1 12  66  9  o 60.795  1.4003  2003.25    92.203   1846.67    149.689  2098.98    117.043  58.324  2.3696  62.216  1.7369  -3.891663      2.937956  
1 1 1 12  66  10 o 23.656  4.5646  316.153    112.716  255.147    447.201  320.291    116.476  26.691  10.517  23.793  4.6864  2.897978       11.51383  
1 1 1 12  66  11 o 87.255  2.7920  4139.27    263.861  4046.49    629.683  4159.03    290.606  85.169  6.8850  87.427  3.0689  -2.258049      7.537975  
1 1 1 12  66  12 o 68.644  2.1425  2558.31    159.294  2953.66    225.701  2165.92    224.854  73.688  2.8279  62.964  3.3087  10.72346       4.352560  
1 1 1 12  66  13 o 105.687 2.9289  6081.30    335.276  6717.90    747.430  5920.94    375.136  109.858 6.3081  104.205 3.3238  5.652878       7.130142  
1 1 1 12  66  14 o 68.872  2.3937  2579.06    178.556  2583.72    554.647  2578.53    188.596  67.284  7.7527  68.849  2.5291  -1.564789      8.154806  
1 1 1 12  66  15 o 64.494  3.0768  2269.14    214.928  2495.96    536.611  2225.79    234.565  66.029  7.6448  63.734  3.4104  2.295002       8.370970  
1 1 1 12  66  16 o 49.138  2.1625  1312.94    115.092  1458.27    494.307  1304.61    118.345  49.269  9.6081  48.976  2.2310  0.2934341      9.863688  
1 1 1 12  66  17 o 66.285  3.1595  2402.12    226.832  2577.92    549.353  2365.99    249.054  66.740  7.7436  65.620  3.5170  1.120148       8.504823  
1 1 1 12  66  18 o 49.720  3.8862  1369.61    207.613  1875.19    495.087  1261.73    228.693  56.166  8.3961  47.527  4.4961  8.639072       9.524101  
1 1 1 12  66  19 o 62.952  4.1157  2207.77    279.081  2230.24    540.379  2199.59    325.909  60.698  8.4488  62.499  4.8526  -1.800941      9.743193  
1 1 1 12  66  20 o 59.790  5.1307  2042.49    329.035  0.0000     0.0000   2042.49    329.035  ?       ?       59.790  5.1307  0.000000       5.130661  
1 1 1 12  66  21 o 12.906  5.9914  -142.5475  200.855  0.0000     0.0000   -142.5475  200.855  ?       ?       12.906  5.9914  0.000000       5.991439  
1 1 1 12  66  22 o 19.235  7.3969  180.445    216.948  0.0000     0.0000   180.445    216.948  ?       ?       19.235  7.3969  0.000000       7.396852  
1 1 1 12  66  23 o 20.980  7.9079  243.696    244.863  0.0000     0.0000   243.696    244.863  ?       ?       20.980  7.9079  0.000000       7.907873  
1 1 1 12  66  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  67  0  o 29.428  1.6836  470.897    53.438   456.495    55.404   663.141    202.416  28.966  1.7745  34.400  5.6273  -5.434246      5.900486  
1 1 1 12  67  1  o 154.429 3.2027  12954.42   535.699  12697.51   755.311  13214.46   759.896  152.651 4.5683  155.741 4.5049  -3.089584      6.415855  
1 1 1 12  67  2  o 53.299  2.9625  1547.29    170.345  1475.02    241.295  1619.10    240.515  51.863  4.3354  54.386  4.1135  -2.522980      5.976297  
1 1 1 12  67  3  o 41.497  3.8991  945.149    173.189  962.623    383.081  940.660    194.165  40.898  8.9008  41.321  4.4064  -0.4223709     9.931787  
1 1 1 12  67  4  o 24.503  1.1932  325.303    31.668   330.063    32.411   225.032    148.748  24.682  1.2124  20.239  6.2006  4.442209       6.318065  
1 1 1 12  67  5  o 184.291 3.2241  18458.07   643.553  21978.62   1320.23  17360.82   737.049  200.192 6.0888  178.604 3.8101  21.58850       7.182641  
1 1 1 12  67  6  o 46.104  2.8252  1158.72    140.397  2046.13    454.035  1064.89    147.632  60.541  7.0566  44.159  3.1064  16.38202       7.710066  
1 1 1 12  67  7  o 102.233 3.7582  5690.94    416.139  0.0000     0.0000   5690.94    416.139  ?       ?       102.233 3.7582  0.000000       3.758165  
1 1 1 12  67  8  o 46.079  2.8702  1158.23    142.535  2074.38    471.138  1065.93    149.543  60.813  7.2987  44.164  3.1469  16.64900       7.948230  
1 1 1 12  67  9  o 97.493  2.5765  5162.95    272.071  7311.12    655.438  4715.75    299.053  115.473 5.2406  93.130  2.9647  22.34244       6.021118  
1 1 1 12  67  10 f 25.674  4.3768  370.089    117.344  761.519    454.289  342.106    121.466  36.158  10.784  24.598  4.7310  11.56036       11.77643  
1 1 1 12  67  11 o 111.737 2.8186  6789.70    341.109  8171.55    766.576  6448.54    380.896  121.756 5.8129  108.822 3.2316  12.93436       6.650814  
1 1 1 12  67  12 o 43.739  3.3496  1048.85    157.475  2117.22    482.027  921.197    166.618  61.138  7.4322  40.898  3.8051  20.24015       8.349586  
1 1 1 12  67  13 o 68.332  3.0278  2543.83    224.088  2628.05    561.565  2527.88    244.389  67.942  7.7709  68.077  3.3145  -0.1345215     8.448239  
1 1 1 12  67  14 o 78.757  2.5335  3374.69    216.110  3420.72    598.308  3367.79    231.756  77.738  7.1873  78.648  2.7207  -0.9098892     7.684974  
1 1 1 12  67  15 o 21.448  6.0993  263.456    148.415  611.776    448.044  220.525    157.296  32.479  10.848  20.015  6.4117  12.46395       12.60148  
1 1 1 12  67  16 o 26.019  1.5958  368.831    44.754   -28.1359   448.136  372.830    44.979   22.280  9.7513  26.160  1.5950  -3.880659      9.880921  
1 1 1 12  67  17 o 40.079  4.1710  894.297    178.411  1286.92    474.865  829.766    192.514  45.819  9.8608  38.441  4.7231  7.378117       10.93360  
1 1 1 12  67  18 o 41.757  4.2476  974.537    189.432  1069.44    479.075  956.949    206.240  40.887  10.695  41.232  4.7022  -0.3449821     11.68349  
1 1 1 12  67  19 o 20.538  1.3362  230.052    29.561   -0.8314    434.690  231.125    29.630   21.559  9.5141  20.586  1.3361  0.9721451      9.607468  
1 1 1 12  67  20 o 29.157  9.2466  546.092    327.771  0.0000     0.0000   546.092    327.771  ?       ?       29.157  9.2466  0.000000       9.246642  
1 1 1 12  67  21 o 13.416  6.1717  -119.0623  206.221  0.0000     0.0000   -119.0623  206.221  ?       ?       13.416  6.1717  0.000000       6.171705  
1 1 1 12  67  22 o 12.808  6.0192  -181.5519  213.192  0.0000     0.0000   -181.5519  213.192  ?       ?       12.808  6.0192  0.000000       6.019158  
1 1 1 12  67  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  67  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  68  0  o 20.786  5.6717  243.907    131.244  319.752    183.398  164.294    187.898  23.830  6.7814  19.130  6.9781  4.699455       9.730415  
1 1 1 12  68  1  o 56.111  2.9469  1714.40    178.467  1727.94    248.910  1700.09    256.020  56.188  4.1188  55.708  4.2758  0.4800262      5.936892  
1 1 1 12  68  2  o 156.196 3.2680  13257.92   552.873  13617.21   781.639  12898.18   782.121  158.040 4.5663  153.781 4.6957  4.258575       6.549893  
1 1 1 12  68  3  o 164.452 3.7797  14715.29   673.237  14629.55   1183.63  14756.29   818.544  163.150 6.6982  164.495 4.5943  -1.344940      8.122375  
1 1 1 12  68  4  o 65.033  3.1781  2298.32    223.861  3125.32    447.205  2021.81    258.592  75.380  5.5158  60.813  3.9473  14.56714       6.782695  
1 1 1 12  68  5  o 67.733  2.5647  2490.36    188.148  3794.18    462.515  2231.82    205.959  83.150  5.1611  64.095  2.9668  19.05502       5.953063  
1 1 1 12  68  6  o 48.946  2.8292  1305.69    149.345  2359.80    464.585  1184.21    157.716  65.135  6.6799  46.569  3.1453  18.56583       7.383348  
1 1 1 12  68  7  o 43.113  3.0483  1015.44    141.425  1487.84    456.526  965.296    148.742  51.022  8.5645  41.998  3.2964  9.024292       9.176977  
1 1 1 12  68  8  o 102.268 2.6018  5680.89    288.194  6614.41    664.590  5464.69    319.831  109.615 5.6166  100.260 2.9452  9.354080       6.342012  
1 1 1 12  68  9  o 173.978 3.5113  16486.93   661.655  18960.68   1162.51  15301.57   804.713  185.662 5.7810  167.319 4.4404  18.34306       7.289534  
1 1 1 12  68  10 f 150.609 3.0441  12342.06   496.574  14175.96   1100.54  11873.25   556.437  160.160 6.3442  147.615 3.4803  12.54514       7.236144  
1 1 1 12  68  11 o 127.442 2.7203  8832.00    375.485  12361.02   775.667  7751.93    429.115  150.128 4.7703  119.275 3.3217  30.85273       5.812833  
1 1 1 12  68  12 o 46.983  3.3107  1209.34    167.396  1432.81    493.352  1180.26    177.953  49.337  9.5777  46.368  3.5708  2.969181       10.22167  
1 1 1 12  68  13 o 97.932  2.8535  5222.92    302.676  6138.58    692.658  5006.81    336.504  104.960 6.1195  95.807  3.2428  9.153061       6.925572  
1 1 1 12  68  14 o 68.624  2.0371  2558.38    151.412  2629.40    255.364  2519.87    188.029  69.376  3.3984  68.045  2.5513  1.331108       4.249501  
1 1 1 12  68  15 o 37.638  4.1297  787.057    165.582  1033.17    472.715  752.637    176.782  41.032  10.571  36.697  4.5449  4.335224       11.50687  
1 1 1 12  68  16 o 55.197  2.3488  1658.29    140.422  1492.45    519.346  1671.37    145.854  49.552  10.021  55.404  2.4306  -5.851463      10.31149  
1 1 1 12  68  17 o 76.782  2.5503  3215.22    212.088  3393.71    320.933  3076.83    282.589  78.558  3.7718  74.885  3.4841  3.673897       5.134757  
1 1 1 12  68  18 o 31.452  5.3856  570.587    176.868  1079.12    463.890  484.090    191.319  40.961  10.429  28.617  6.3395  12.34392       12.20446  
1 1 1 12  68  19 o 48.995  2.6535  1319.52    140.288  0.0000     0.0000   1319.52    140.288  ?       ?       48.995  2.6535  0.000000       2.653486  
1 1 1 12  68  20 o 17.935  7.9250  -19.0883   302.537  0.0000     0.0000   -19.0883   302.537  ?       ?       17.935  7.9250  0.000000       7.924994  
1 1 1 12  68  21 o 22.651  7.8921  303.059    237.650  0.0000     0.0000   303.059    237.650  ?       ?       22.651  7.8921  0.000000       7.892134  
1 1 1 12  68  22 o 52.563  5.1674  1605.99    290.387  0.0000     0.0000   1605.99    290.387  ?       ?       52.563  5.1674  0.000000       5.167437  
1 1 1 12  68  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  68  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  69  0  o 129.398 3.1506  9097.13    441.568  8614.49    623.760  9581.97    625.186  125.693 4.5818  132.607 4.3528  -6.914406      6.319821  
1 1 1 12  69  1  o 146.376 3.1951  11642.34   506.547  11530.26   714.437  11755.64   718.309  145.421 4.5359  146.840 4.5165  -1.418640      6.401012  
1 1 1 12  69  2  o 114.016 2.9500  7060.66    364.297  6600.58    513.683  7526.19    516.717  110.056 4.3093  117.561 4.0581  -7.505074      5.919305  
1 1 1 12  69  3  o 51.130  3.1746  1426.12    174.936  1478.44    251.157  1376.83    243.800  51.874  4.5153  50.041  4.5479  1.832825       6.408639  
1 1 1 12  69  4  o 175.576 3.9379  16788.46   748.859  18048.41   1316.19  16185.37   910.616  181.081 6.7108  172.134 4.8843  8.947174       8.300077  
1 1 1 12  69  5  o 126.031 3.1066  8633.64    424.067  9902.16    766.794  8074.71    508.990  134.512 5.2632  121.762 3.8595  12.74975       6.526601  
1 1 1 12  69  6  o 30.221  3.6017  504.152    115.571  1019.25    431.225  464.290    119.959  41.797  9.7108  28.929  3.9302  12.86786       10.47595  
1 1 1 12  69  7  o 75.034  2.4969  3057.30    202.924  5614.67    532.140  2622.13    219.512  101.304 4.8498  69.455  2.9180  31.84955       5.659996  
1 1 1 12  69  8  o 222.763 6.0922  27331.57   1469.90  27807.24   2083.88  26860.55   2073.67  222.818 8.6348  218.898 8.7464  3.919907       12.29059  
1 1 1 12  69  9  o 181.227 5.1442  18017.95   1009.73  0.0000     0.0000   18017.95   1009.73  ?       ?       181.227 5.1442  0.000000       5.144169  
1 1 1 12  69  10 o 111.563 2.7569  6767.73    333.130  8737.73    758.494  6296.91    370.808  125.983 5.5587  107.539 3.1835  18.44369       6.405754  
1 1 1 12  69  11 o 14.838  5.3594  101.643    110.442  108.502    445.793  101.194    113.995  24.325  10.154  14.938  5.4374  9.387026       11.51814  
1 1 1 12  69  12 o 101.302 2.8344  5586.58    310.992  6521.52    710.705  5365.16    345.862  108.279 6.0847  99.199  3.2190  9.079285       6.883748  
1 1 1 12  69  13 f 105.672 2.9004  6083.62    331.968  6200.03    741.726  6054.46    371.224  105.220 6.5408  105.338 3.2537  -0.1175690     7.305378  
1 1 1 12  69  14 o 58.965  2.1122  1889.57    134.898  1789.77    518.948  1896.80    139.700  55.162  8.9960  59.070  2.1835  -3.908363      9.257227  
1 1 1 12  69  15 o 45.534  3.7008  1143.26    180.936  1290.58    497.561  1120.81    194.234  46.015  10.246  45.008  4.0270  1.007187       11.00936  
1 1 1 12  69  16 o 85.635  2.6017  3997.77    241.314  5110.01    637.070  3811.45    260.743  95.174  6.2142  83.554  2.8812  11.62066       6.849678  
1 1 1 12  69  17 o 40.169  4.2115  901.091    180.505  402.215    480.097  983.221    194.798  28.432  10.984  41.936  4.3521  -13.50437      11.81491  
1 1 1 12  69  18 o 40.074  4.2870  902.713    183.185  606.821    482.475  952.552    198.013  31.315  11.215  41.093  4.5239  -9.777697      12.09268  
1 1 1 12  69  19 o 39.014  1.8236  829.255    77.056   0.0000     0.0000   829.255    77.056   ?       ?       39.014  1.8236  0.000000       1.823553  
1 1 1 12  69  20 o 44.657  8.2090  1248.06    382.423  0.0000     0.0000   1248.06    382.423  ?       ?       44.657  8.2090  0.000000       8.209023  
1 1 1 12  69  21 o 46.017  5.3213  1231.61    260.329  0.0000     0.0000   1231.61    260.329  ?       ?       46.017  5.3213  0.000000       5.321279  
1 1 1 12  69  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  69  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  69  24 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  70  0  o 44.429  3.4295  1079.65    163.758  1065.95    229.591  1093.83    233.641  43.918  4.9107  44.491  4.9314  -0.5733109     6.959474  
1 1 1 12  70  1  o 90.760  2.8173  4473.29    276.949  4586.44    387.508  4355.17    395.957  91.784  3.8980  89.417  4.0885  2.367691       5.648895  
1 1 1 12  70  2  o 82.557  2.8916  3702.10    258.562  3310.72    364.225  4099.73    367.116  77.807  4.3392  86.771  3.9063  -8.963470      5.838479  
1 1 1 12  70  3  o 82.537  2.5005  3697.76    223.532  3725.70    289.648  3656.63    351.496  82.784  3.2304  81.934  3.9608  0.8501587      5.111122  
1 1 1 12  70  4  o 192.498 4.1849  20203.12   872.528  22726.39   1530.11  18987.26   1062.14  202.965 6.9604  186.251 5.2652  16.71352       8.727486  
1 1 1 12  70  5  o 128.664 4.5377  9040.56    632.358  9143.86    894.441  8937.32    894.137  128.864 6.4084  127.209 6.5114  1.654564       9.135959  
1 1 1 12  70  6  o 71.296  2.8660  2762.50    221.311  0.0000     0.0000   2762.50    221.311  ?       ?       71.296  2.8660  0.000000       2.865959  
1 1 1 12  70  7  o 137.042 2.7561  10205.53   409.086  13317.76   885.960  9362.17    461.194  155.852 5.2485  131.171 3.2462  24.68089       6.171240  
1 1 1 12  70  8  o 43.710  3.0237  1044.12    142.270  1897.24    458.512  953.236    149.657  57.977  7.4759  41.711  3.3407  16.26557       8.188358  
1 1 1 12  70  9  o 48.707  3.8159  1302.16    199.695  2633.36    492.955  1040.82    218.420  68.632  6.7176  43.342  4.7296  25.29033       8.215550  
1 1 1 12  70  10 o 112.621 2.7235  6897.60    332.212  8759.71    756.544  6452.77    369.769  126.093 5.5395  108.855 3.1363  17.23755       6.365740  
1 1 1 12  70  11 o 48.684  3.2189  1297.35    168.773  1451.14    501.761  1277.73    179.215  49.607  9.6862  48.275  3.4503  1.331871       10.28239  
1 1 1 12  70  12 o 10.513  4.7420  -57.9029   114.344  -16.1853   443.351  -60.8756   118.348  22.539  9.7844  10.674  4.8184  11.86493       10.90652  
1 1 1 12  70  13 o 56.568  3.1994  1751.69    195.222  1963.70    523.014  1717.38    210.431  58.123  8.5647  55.953  3.4897  2.170132       9.248363  
1 1 1 12  70  14 o 25.303  5.2700  367.134    139.736  -71.7714   463.097  411.099    146.568  22.206  9.8088  26.816  5.2341  -4.610518      11.11798  
1 1 1 12  70  15 o 12.129  5.3744  -42.3928   140.093  -218.9301  444.081  -22.8824   147.631  20.116  9.1800  12.881  5.6183  7.235793       10.76281  
1 1 1 12  70  16 o 51.773  2.3083  1459.68    129.439  1412.02    521.965  1462.80    133.613  47.700  10.397  51.819  2.3806  -4.118805      10.66563  
1 1 1 12  70  17 o 40.078  4.2213  899.072    180.486  1523.77    483.421  797.892    194.554  49.738  9.3159  37.515  4.9056  12.22345       10.52856  
1 1 1 12  70  18 o 22.424  6.3672  298.681    161.866  124.475    457.341  323.628    173.069  23.478  10.062  23.282  6.5744  0.1950455      12.01963  
1 1 1 12  70  19 o 23.733  8.8805  305.928    307.701  0.0000     0.0000   305.928    307.701  ?       ?       23.733  8.8805  0.000000       8.880501  
1 1 1 12  70  20 o 38.561  8.9353  964.294    365.885  0.0000     0.0000   964.294    365.885  ?       ?       38.561  8.9353  0.000000       8.935273  
1 1 1 12  70  21 o 32.983  6.8547  671.053    236.888  0.0000     0.0000   671.053    236.888  ?       ?       32.983  6.8547  0.000000       6.854748  
1 1 1 12  70  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  70  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  71  0  o 85.499  2.5701  3968.36    238.006  4203.59    308.667  3623.41    373.787  87.934  3.2409  81.419  4.2534  6.514885       5.347406  
1 1 1 12  71  1  o 131.480 3.1247  9395.83    444.985  9081.52    634.703  9699.67    624.040  129.003 4.5426  133.370 4.3200  -4.366699      6.268754  
1 1 1 12  71  2  o 115.677 2.8825  7269.53    361.143  7438.96    510.847  7100.25    510.621  116.840 4.0367  114.132 4.1307  2.707619       5.775592  
1 1 1 12  71  3  o 122.512 2.9363  8156.02    389.626  7971.31    552.469  8338.80    549.573  120.899 4.2191  123.677 4.1026  -2.778908      5.884913  
1 1 1 12  71  4  f 111.843 3.2870  6804.39    398.183  7455.79    719.579  6516.90    478.043  116.556 5.7000  109.331 4.0369  7.224648       6.984740  
1 1 1 12  71  5  o 42.905  1.8299  998.345    85.036   1011.96    93.817   935.682    201.309  43.190  2.0055  41.132  4.5974  2.058765       5.015790  
1 1 1 12  71  6  o 106.603 2.7240  6174.71    314.523  7503.96    714.808  5855.57    350.251  116.884 5.6463  103.759 3.1166  13.12539       6.449339  
1 1 1 12  71  7  o 96.174  2.5631  5024.63    266.989  8233.58    634.289  4333.64    294.335  122.644 4.7750  89.260  3.0445  33.38377       5.662980  
1 1 1 12  71  8  o 32.063  3.8640  568.845    131.486  0.0000     0.0000   568.845    131.486  ?       ?       32.063  3.8640  0.000000       3.864026  
1 1 1 12  71  9  o 37.334  3.4253  765.937    136.963  386.244    475.820  800.239    143.016  29.181  11.018  38.156  3.4996  -8.974558      11.56008  
1 1 1 12  71  10 o 14.179  5.3323  82.374     111.210  324.870    449.310  66.548     114.781  27.664  10.643  13.793  5.3590  13.87106       11.91639  
1 1 1 12  71  11 o 74.625  2.8345  3031.66    229.107  3838.14    582.690  2884.18    249.176  82.798  6.5510  72.741  3.1627  10.05725       7.274503  
1 1 1 12  71  12 o 91.972  2.1921  4596.54    218.369  5439.64    402.016  4243.67    260.083  99.734  3.7216  88.291  2.7197  11.44334       4.609475  
1 1 1 12  71  13 o 42.647  3.6240  1002.06    165.814  1077.39    487.431  992.207    176.330  41.982  10.691  42.382  3.8845  -0.4003143     11.37477  
1 1 1 12  71  14 o 53.040  3.1971  1541.99    182.806  1551.53    521.312  1540.66    195.201  50.816  9.8270  52.971  3.4206  -2.154835      10.40533  
1 1 1 12  71  15 o 18.620  6.2725  184.417    149.798  926.937    455.283  94.278     158.630  38.671  10.569  16.111  6.2888  22.55917       12.29816  
1 1 1 12  71  16 o 38.443  1.2333  801.703    51.352   402.976    470.150  806.518    51.661   28.387  10.895  38.558  1.2370  -10.17098      10.96547  
1 1 1 12  71  17 f 27.929  1.5008  424.982    45.231   431.918    46.853   329.972    173.400  28.152  1.5425  23.595  6.5521  4.556929       6.731185  
1 1 1 12  71  18 o 54.413  4.0066  1655.95    234.464  0.0000     0.0000   1655.95    234.464  ?       ?       54.413  4.0066  0.000000       4.006567  
1 1 1 12  71  19 o 21.591  8.5869  205.570    300.713  0.0000     0.0000   205.570    300.713  ?       ?       21.591  8.5869  0.000000       8.586910  
1 1 1 12  71  20 o 36.870  9.0908  891.700    360.741  0.0000     0.0000   891.700    360.741  ?       ?       36.870  9.0908  0.000000       9.090781  
1 1 1 12  71  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  71  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  71  23 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  72  0  o 84.749  2.9132  3902.61    267.413  4126.52    378.542  3679.55    377.819  87.017  4.0164  82.027  4.2673  4.989426       5.860206  
1 1 1 12  72  1  o 83.016  2.8298  3744.10    254.444  3834.57    356.832  3650.51    362.922  83.889  3.9272  81.726  4.1132  2.163437       5.686936  
1 1 1 12  72  2  o 134.826 3.0676  9882.01    447.959  9731.27    633.307  10032.95   633.712  133.529 4.3789  135.598 4.3149  -2.069275      6.147613  
1 1 1 12  72  3  o 87.751  2.7814  4183.55    264.357  3978.43    375.733  4384.62    372.008  85.417  4.0613  89.706  3.8288  -4.288612      5.581573  
1 1 1 12  72  4  o 82.171  2.5006  3666.47    222.552  3606.03    283.414  3763.67    359.434  81.420  3.2138  83.081  3.9944  -1.660645      5.126738  
1 1 1 12  72  5  o 119.455 3.1645  7762.15    409.426  8946.75    741.799  7243.19    490.985  127.716 5.3626  115.253 3.9332  12.46297       6.650342  
1 1 1 12  72  6  o 129.214 3.1564  9084.20    441.742  12993.90   809.910  7428.62    527.036  154.050 4.8541  116.646 4.1716  37.40455       6.400320  
1 1 1 12  72  7  o 38.991  3.2930  833.575    137.770  1915.41    450.219  721.806    144.712  58.291  7.2905  36.193  3.7458  22.09817       8.196489  
1 1 1 12  72  8  o 43.551  3.1176  1037.71    146.087  2055.94    461.633  924.387    154.001  60.392  7.1993  41.034  3.4984  19.35778       8.004299  
1 1 1 12  72  9  o 74.733  2.6542  3036.86    214.842  5205.76    564.706  2669.80    232.311  97.093  5.3911  70.024  3.0630  27.06866       6.200462  
1 1 1 12  72  10 o 72.333  2.7965  2847.36    219.089  3852.35    570.842  2673.76    237.259  83.051  6.3952  70.050  3.1271  13.00117       7.118832  
1 1 1 12  72  11 o 69.189  2.9130  2607.43    218.297  3294.33    566.219  2487.51    236.586  76.484  6.9097  67.535  3.2344  8.949699       7.629195  
1 1 1 12  72  12 o 22.774  5.5406  298.503    135.365  209.391    461.482  306.892    141.593  25.866  10.515  23.080  5.6983  2.786175       11.95946  
1 1 1 12  72  13 o 72.313  2.2666  2843.60    177.524  3258.77    256.637  2462.67    245.826  77.280  3.0661  67.040  3.3966  10.24034       4.575757  
1 1 1 12  72  14 o 30.701  4.8917  533.232    157.202  707.298    473.529  511.672    166.653  34.338  11.138  29.948  5.3334  4.390867       12.34900  
1 1 1 12  72  15 o 13.751  5.8180  14.488     149.484  -17.1249   450.100  18.407     158.480  22.309  9.7681  14.212  6.0006  8.096391       11.46401  
1 1 1 12  72  16 o 26.901  1.9614  395.866    56.754   449.029    474.726  395.095    57.164   28.982  10.990  26.873  1.9779  2.109093       11.16646  
1 1 1 12  72  17 o 43.979  4.0448  1082.40    190.509  1033.01    498.711  1090.84    206.142  39.252  11.187  44.030  4.3808  -4.777893      12.01417  
1 1 1 12  72  18 o 15.909  6.6326  54.158     189.883  0.0000     0.0000   54.158     189.883  ?       ?       15.909  6.6326  0.000000       6.632601  
1 1 1 12  72  19 o 23.852  8.9229  314.481    310.615  0.0000     0.0000   314.481    310.615  ?       ?       23.852  8.9229  0.000000       8.922916  
1 1 1 12  72  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  72  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  72  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  73  0  o 13.278  5.4914  26.929     128.672  -205.0832  185.072  244.008    179.017  11.797  5.5640  21.274  6.8428  -9.476149      8.819421  
1 1 1 12  73  1  o 73.843  2.8458  2962.93    227.608  2784.86    319.598  3146.19    324.224  71.336  4.1544  75.872  3.9592  -4.536186      5.738832  
1 1 1 12  73  2  o 39.303  3.5882  848.012    151.066  1031.95    215.863  671.466    211.483  43.205  4.6881  34.502  5.8695  8.703236       7.511969  
1 1 1 12  73  3  o 21.383  5.5945  260.125    131.058  177.686    191.739  332.414    179.548  19.540  7.0610  24.167  6.6503  -4.627184      9.699685  
1 1 1 12  73  4  o 108.759 2.9057  6430.04    342.283  6356.98    488.369  6500.59    479.865  107.921 4.1780  109.158 4.0588  -1.236115      5.824909  
1 1 1 12  73  5  o 77.273  2.7608  3245.23    231.063  3204.68    323.867  3287.27    329.758  76.552  3.9192  77.531  3.9398  -0.9787598     5.557199  
1 1 1 12  73  6  o 53.171  2.9801  1542.55    170.930  1787.44    455.323  1502.38    184.418  56.161  7.6872  52.433  3.2635  3.728554       8.351230  
1 1 1 12  73  7  o 92.415  2.6061  4641.77    260.860  7367.51    623.349  4063.07    287.220  115.886 4.9663  86.403  3.0691  29.48281       5.838089  
1 1 1 12  73  8  o 93.988  2.2763  4797.91    231.725  6183.10    390.828  4046.98    287.760  106.508 3.3879  86.216  3.0816  20.29255       4.579739  
1 1 1 12  73  9  o 33.495  3.7172  620.030    132.579  1010.72    467.496  585.860    138.255  41.077  10.475  32.492  4.0139  8.584515       11.21789  
1 1 1 12  73  10 o 45.084  3.3445  1114.78    162.150  781.745    500.825  1153.78    171.381  36.351  11.418  45.847  3.4772  -9.495918      11.93558  
1 1 1 12  73  11 o 82.291  2.3276  3681.54    207.460  4403.08    327.234  3196.63    268.262  89.806  3.3642  76.543  3.2358  13.26322       4.667800  
1 1 1 12  73  12 o 55.225  3.1818  1669.94    189.510  2416.88    525.353  1558.21    203.191  64.984  7.6080  53.268  3.5420  11.71594       8.392112  
1 1 1 12  73  13 f 20.390  5.8743  237.033    136.803  734.081    462.716  189.425    143.205  34.946  10.975  18.719  6.1277  16.22714       12.56944  
1 1 1 12  73  14 o 42.060  3.8738  979.472    174.488  1088.77    492.568  963.789    186.587  41.820  10.800  41.641  4.1941  0.1783371      11.58533  
1 1 1 12  73  15 o 13.617  5.7316  19.828     143.868  -372.6974  456.912  63.027     151.578  18.878  8.8526  14.994  6.0504  3.884008       10.72269  
1 1 1 12  73  16 o 3.8842  1.9606  -128.7054  39.095   393.846    472.468  -132.3080  39.230   27.865  10.860  3.8536  1.9473  24.01162       11.03296  
1 1 1 12  73  17 o 14.663  6.1448  36.432     164.186  0.0000     0.0000   36.432     164.186  ?       ?       14.663  6.1448  0.000000       6.144812  
1 1 1 12  73  18 o 19.592  7.3842  187.476    213.502  0.0000     0.0000   187.476    213.502  ?       ?       19.592  7.3842  0.000000       7.384243  
1 1 1 12  73  19 o 18.724  8.3318  -28.9316   340.139  0.0000     0.0000   -28.9316   340.139  ?       ?       18.724  8.3318  0.000000       8.331787  
1 1 1 12  73  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  73  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  73  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  74  0  o 102.766 2.7902  5738.35    310.569  5747.91    421.893  5727.05    458.852  102.706 3.7926  102.461 4.1347  0.2458344      5.610668  
1 1 1 12  74  1  o 87.459  2.6332  4154.89    249.436  4069.20    326.189  4275.56    387.091  86.455  3.4834  88.541  4.0365  -2.085411      5.331728  
1 1 1 12  74  2  o 83.270  2.8361  3768.45    255.786  4008.68    363.007  3531.55    360.479  85.746  3.9087  80.341  4.1568  5.404739       5.705901  
1 1 1 12  74  3  o 58.421  3.0767  1861.42    193.999  1597.49    276.658  2116.74    272.109  53.824  4.7959  62.155  4.0644  -8.331390      6.286509  
1 1 1 12  74  4  f 78.376  2.4204  3335.85    205.470  3151.92    261.603  3632.04    331.965  76.110  3.1735  81.624  3.7550  -5.514191      4.916358  
1 1 1 12  74  5  o 62.368  3.4402  2125.23    231.489  2191.13    453.078  2101.96    269.291  62.550  6.7970  61.921  4.0373  0.6292686      7.905676  
1 1 1 12  74  6  o 83.251  2.2515  3763.36    203.014  4329.39    323.534  3395.74    260.733  89.149  3.3507  78.994  3.0474  10.15570       4.529222  
1 1 1 12  74  7  o 51.219  3.0542  1433.05    168.660  1949.59    482.833  1361.26    179.998  58.555  7.8076  49.870  3.3519  8.685246       8.496695  
1 1 1 12  74  8  o 38.396  3.4399  810.353    141.541  1571.98    457.835  729.869    148.831  52.219  8.3782  36.355  3.8378  15.86437       9.215334  
1 1 1 12  74  9  o 68.633  2.7046  2562.86    201.049  4549.39    536.652  2238.52    216.842  90.630  5.4930  64.093  3.1236  26.53646       6.319000  
1 1 1 12  74  10 o 59.649  2.9670  1938.55    191.683  2953.36    540.637  1792.64    205.001  72.338  6.9873  57.223  3.3219  15.11507       7.736811  
1 1 1 12  74  11 o 22.119  5.3736  281.221    127.463  -292.8453  467.618  327.297    132.480  20.155  9.2802  23.889  5.2624  -3.733061      10.66839  
1 1 1 12  74  12 o 39.337  3.9398  856.413    165.602  1204.35    493.425  812.247    175.799  44.492  10.422  38.213  4.3235  6.278484       11.28328  
1 1 1 12  74  13 o 59.105  3.1965  1914.33    203.871  1854.37    539.282  1924.33    220.214  55.879  9.2328  59.203  3.4492  -3.323757      9.856066  
1 1 1 12  74  14 o 41.076  3.8828  935.542    170.692  1326.30    493.327  882.400    181.929  46.412  10.101  39.778  4.2906  6.633728       10.97425  
1 1 1 12  74  15 o 33.841  4.7291  648.547    168.600  583.843    483.489  657.504    179.892  31.389  11.228  33.980  5.0406  -2.591263      12.30751  
1 1 1 12  74  16 o 38.954  1.5187  824.643    64.076   812.609    487.656  824.855    64.636   35.072  11.295  38.958  1.5318  -3.886292      11.39863  
1 1 1 12  74  17 o 17.342  6.9346  107.831    197.150  0.0000     0.0000   107.831    197.150  ?       ?       17.342  6.9346  0.000000       6.934597  
1 1 1 12  74  18 o 15.681  6.7516  14.763     207.651  0.0000     0.0000   14.763     207.651  ?       ?       15.681  6.7516  0.000000       6.751603  
1 1 1 12  74  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  74  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  74  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  74  22 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  75  0  o 103.595 2.9897  5835.40    335.454  5589.30    472.509  6085.49    476.323  101.168 4.3122  105.592 4.1648  -4.424614      5.995064  
1 1 1 12  75  1  o 118.981 3.0006  7698.00    386.682  7253.36    544.718  8149.67    549.009  115.231 4.3645  122.194 4.1482  -6.963234      6.021323  
1 1 1 12  75  2  o 83.034  2.8858  3748.31    259.534  3732.91    367.587  3763.63    366.487  82.699  4.1038  83.043  4.0746  -0.3442459     5.783063  
1 1 1 12  75  3  o 118.682 2.9512  7660.17    379.365  7087.93    531.532  8254.34    541.616  113.892 4.3089  122.966 4.0666  -9.074432      5.924881  
1 1 1 12  75  4  f 87.304  2.7487  4143.35    259.915  3966.71    375.093  4306.51    360.491  85.231  4.0632  88.862  3.7455  -3.630569      5.526145  
1 1 1 12  75  5  o 41.267  4.2529  940.578    187.364  580.472    395.424  1044.83    212.765  31.982  10.158  43.450  4.5906  -11.46840      11.14680  
1 1 1 12  75  6  o 61.690  2.8403  2070.18    189.777  1943.35    456.906  2096.62    208.625  58.614  7.3592  61.978  3.1178  -3.363071      7.992445  
1 1 1 12  75  7  o 68.506  2.7509  2552.92    204.112  4580.15    538.670  2213.05    220.559  90.999  5.4910  63.652  3.2095  27.34664       6.360233  
1 1 1 12  75  8  o 56.926  1.5320  1757.49    94.459   2092.19    114.327  1037.58    167.671  62.100  1.6998  43.451  3.5951  18.64861       3.976655  
1 1 1 12  75  9  o 14.750  1.7565  119.725    27.510   132.423    28.509   -51.9023   104.812  15.527  1.7244  10.098  4.5488  5.428275       4.864683  
1 1 1 12  75  10 o 10.578  2.6319  63.301     30.032   64.293     31.058   49.028     117.808  10.662  2.6896  13.353  5.3531  -2.690914      5.990830  
1 1 1 12  75  11 o 18.950  5.5213  203.068    120.246  254.760    464.175  199.349    124.496  26.559  10.633  18.843  5.6513  7.715412       12.04178  
1 1 1 12  75  12 o 22.506  5.7110  292.404    139.442  1764.35    473.358  152.535    145.916  55.070  8.1851  17.521  6.1787  37.54897       10.25533  
1 1 1 12  75  13 o 4.5022  2.1341  -33.9298   27.868   -411.6483  459.621  -32.5361   27.919   18.761  8.8239  4.5517  2.1511  14.20966       9.082282  
1 1 1 12  75  14 o 14.043  5.6617  54.615     132.592  474.600    462.070  16.930     138.413  29.519  10.915  13.313  5.6137  16.20625       12.27354  
1 1 1 12  75  15 o 28.434  5.2141  466.827    154.662  604.761    354.464  434.392    171.887  31.177  9.5753  27.175  6.0003  4.002167       11.29997  
1 1 1 12  75  16 o 23.738  1.0633  305.727    27.340   0.0000     0.0000   305.727    27.340   ?       ?       23.738  1.0633  0.000000       1.063334  
1 1 1 12  75  17 o 23.927  7.3620  344.464    209.428  0.0000     0.0000   344.464    209.428  ?       ?       23.927  7.3620  0.000000       7.361992  
1 1 1 12  75  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  75  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  75  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  75  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  76  0  o 17.102  5.8812  147.221    131.766  108.216    196.177  179.281    177.857  17.839  6.9851  19.235  6.8174  -1.396109      9.760554  
1 1 1 12  76  1  o 73.983  2.8477  2975.92    228.188  3185.96    322.799  2766.13    322.612  76.318  3.9184  71.041  4.2116  5.276772       5.752464  
1 1 1 12  76  2  o 60.810  2.2536  2007.65    148.430  2014.91    174.724  1988.85    281.351  60.890  2.6493  60.166  4.3467  0.7240410      5.090420  
1 1 1 12  76  3  f 34.218  4.1022  648.481    149.006  703.489    218.368  600.551    203.834  35.271  5.9263  32.510  6.0102  2.761032       8.440593  
1 1 1 12  76  4  o 61.540  3.0181  2060.87    201.167  2114.07    296.972  2015.75    273.466  62.000  4.4520  60.587  4.1931  1.413025       6.115720  
1 1 1 12  76  5  o 115.339 3.3615  7249.74    419.926  7829.08    758.886  6994.06    504.142  119.091 5.8834  113.110 4.1151  5.980988       7.179715  
1 1 1 12  76  6  o 58.203  2.1828  1839.69    137.603  1927.99    162.508  1616.01    258.652  59.556  2.5193  54.136  4.4507  5.420170       5.114237  
1 1 1 12  76  7  o 32.073  3.9857  570.907    135.470  915.777    448.116  536.219    142.120  39.134  10.396  30.994  4.3536  8.140100       11.27076  
1 1 1 12  76  8  o 36.088  3.6416  718.470    140.394  1281.63    455.405  659.327    147.582  46.609  9.3463  34.483  4.0274  12.12652       10.17713  
1 1 1 12  76  9  o 76.753  2.7213  3207.00    226.226  4404.43    568.065  2981.29    246.626  88.901  5.9336  73.949  3.0792  14.95222       6.685021  
1 1 1 12  76  10 o 124.412 2.8121  8431.84    378.937  10943.05   847.057  7803.54    423.699  140.537 5.5648  119.563 3.2718  20.97319       6.455408  
1 1 1 12  76  11 o 69.311  2.9072  2619.07    218.245  3780.24    574.217  2423.01    235.951  81.944  6.5238  66.608  3.2706  15.33682       7.297701  
1 1 1 12  76  12 o 17.049  5.8711  149.297    131.334  445.263    470.870  124.330    136.761  29.504  10.996  16.344  5.9546  13.15998       12.50498  
1 1 1 12  76  13 o 12.629  5.4243  -3.2701    133.414  297.119    466.867  -29.9814   139.219  26.849  10.693  12.316  5.4115  14.53326       11.98401  
1 1 1 12  76  14 o 22.933  1.8938  288.020    46.620   280.078    48.586   380.237    165.561  22.597  2.0060  25.435  6.0904  -2.837254      6.412271  
1 1 1 12  76  15 o 39.518  4.1265  875.927    174.017  725.935    505.613  896.081    185.340  33.479  11.520  39.896  4.3601  -6.417519      12.31771  
1 1 1 12  76  16 o 55.342  4.4071  1721.33    261.979  0.0000     0.0000   1721.33    261.979  ?       ?       55.342  4.4071  0.000000       4.407098  
1 1 1 12  76  17 o 16.135  6.7312  56.448     195.748  0.0000     0.0000   56.448     195.748  ?       ?       16.135  6.7312  0.000000       6.731157  
1 1 1 12  76  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  76  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  76  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  76  21 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  77  0  o 179.586 3.7084  17587.81   721.325  17071.44   1018.52  18107.43   1021.71  176.277 5.3346  181.614 5.1941  -5.337311      7.445554  
1 1 1 12  77  1  o 27.875  1.2144  421.114    36.664   422.629    37.285   376.735    201.822  27.925  1.2327  25.643  7.0484  2.281767       7.155343  
1 1 1 12  77  2  o 25.530  5.3357  371.238    142.790  500.905    204.634  248.192    199.341  29.523  6.5690  21.663  7.2361  7.859636       9.773002  
1 1 1 12  77  3  o 15.802  5.8136  110.312    130.820  189.849    202.000  52.854     171.690  20.060  7.2477  15.657  6.3945  4.402909       9.665368  
1 1 1 12  77  4  o 11.525  5.1460  -52.6527   130.975  122.613    207.898  -167.9926  168.652  18.500  7.2054  11.493  5.3861  7.006442       8.996039  
1 1 1 12  77  5  o 41.340  4.2119  944.519    185.955  745.900    401.429  998.783    209.826  35.544  10.004  42.435  4.6409  -6.891285      11.02839  
1 1 1 12  77  6  o 103.646 3.2118  5854.46    360.561  6198.62    653.017  5703.53    432.458  105.785 5.7207  102.147 3.9088  3.637459       6.928576  
1 1 1 12  77  7  o 58.183  2.8947  1843.31    182.419  3717.41    509.108  1567.26    195.393  81.776  5.7853  53.492  3.3900  28.28398       6.705405  
1 1 1 12  77  8  o 17.156  5.4947  159.467    115.524  332.831    431.801  146.101    119.894  27.365  10.456  16.727  5.6117  10.63793       11.86690  
1 1 1 12  77  9  o 33.892  1.4301  623.006    52.496   648.615    56.625   466.364    140.047  34.579  1.5119  28.771  4.6530  5.807796       4.892445  
1 1 1 12  77  10 o 24.650  5.0927  347.413    131.470  272.804    466.594  353.847    137.022  26.875  10.694  24.851  5.2549  2.023884       11.91511  
1 1 1 12  77  11 f 32.701  4.2489  597.369    146.934  987.287    486.680  558.264    154.126  40.004  10.924  31.497  4.6584  8.506985       11.87622  
1 1 1 12  77  12 f 40.110  3.7864  890.791    162.547  2174.29    508.079  744.443    171.564  61.165  7.8505  36.480  4.4332  24.68535       9.015769  
1 1 1 12  77  13 o 31.246  4.8265  554.430    158.076  1121.41    495.621  490.222    166.787  41.993  10.827  29.154  5.4832  12.83941       12.13654  
1 1 1 12  77  14 f 41.291  4.0532  952.568    178.935  1179.04    512.285  921.099    190.962  42.455  11.038  40.478  4.4279  1.976807       11.89299  
1 1 1 12  77  15 f 18.080  6.4608  168.313    160.051  0.0000     0.0000   168.313    160.051  ?       ?       18.080  6.4608  0.000000       6.460836  
1 1 1 12  77  16 o 21.389  7.2257  260.294    198.792  0.0000     0.0000   260.294    198.792  ?       ?       21.389  7.2257  0.000000       7.225677  
1 1 1 12  77  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  77  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  77  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  77  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  78  0  o 45.862  3.6226  1154.15    178.484  1144.76    249.831  1163.93    255.078  45.368  5.1770  45.735  5.2441  -0.3678665     7.368979  
1 1 1 12  78  1  o 116.016 2.9711  7324.43    373.346  7340.45    525.601  7308.11    530.413  115.868 4.1882  115.599 4.2363  0.2683182      5.957111  
1 1 1 12  78  2  o 91.896  2.8587  4594.26    284.539  4142.21    403.651  5040.75    401.157  87.011  4.2831  96.079  3.8549  -9.067482      5.762431  
1 1 1 12  78  3  o 78.887  2.9084  3386.48    248.504  3313.70    352.364  3458.49    350.520  77.721  4.2015  79.432  4.0881  -1.711266      5.862139  
1 1 1 12  78  4  o 132.444 3.0718  9552.58    440.659  9227.85    627.269  9868.99    619.182  129.775 4.4627  134.277 4.2574  -4.502792      6.167728  
1 1 1 12  78  5  o 126.569 2.9489  8721.82    404.259  8869.74    578.986  8581.12    564.697  127.292 4.1995  125.215 4.1638  2.076797       5.913806  
1 1 1 12  78  6  o 29.861  1.0737  483.256    34.725   496.667    35.441   161.245    173.661  30.272  1.0809  18.537  6.7166  11.73534       6.803048  
1 1 1 12  78  7  o 73.378  2.8312  2931.91    225.015  3875.38    563.439  2752.89    245.437  83.254  6.2949  71.051  3.1893  12.20342       7.056790  
1 1 1 12  78  8  o 71.831  2.7582  2809.44    214.587  4303.00    555.718  2547.71    232.630  87.881  5.8722  68.348  3.1424  19.53229       6.660125  
1 1 1 12  78  9  o 32.326  4.0089  581.126    137.349  1246.95    460.486  516.106    143.899  45.697  9.6087  30.324  4.5193  15.37247       10.61841  
1 1 1 12  78  10 o 32.237  4.1461  579.687    141.411  1757.46    478.165  466.806    148.032  54.929  8.2958  28.690  4.9422  26.23869       9.656344  
1 1 1 12  78  11 o 52.401  2.0013  1492.47    113.587  1557.85    140.438  1368.80    193.148  53.491  2.4240  49.854  3.6012  3.636242       4.341051  
1 1 1 12  78  12 o 59.858  1.9267  1948.08    124.915  2560.56    540.650  1913.54    128.389  66.356  7.6635  59.316  1.9984  7.039425       7.919819  
1 1 1 12  78  13 f 13.173  5.5700  15.211     136.870  129.083    477.081  4.9984     142.877  24.349  10.352  13.196  5.6391  11.15312       11.78844  
1 1 1 12  78  14 o 44.651  3.8516  1111.19    184.445  1610.76    528.966  1042.05    196.796  50.273  10.066  43.088  4.2732  7.185364       10.93513  
1 1 1 12  78  15 o 27.570  6.4330  454.715    188.588  0.0000     0.0000   454.715    188.588  ?       ?       27.570  6.4330  0.000000       6.432975  
1 1 1 12  78  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  78  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  78  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  78  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  78  20 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  79  0  o 102.186 2.9735  5683.21    329.103  5537.63    464.583  5829.86    466.264  100.604 4.2636  103.247 4.1695  -2.643387      5.963506  
1 1 1 12  79  1  o 65.004  3.0446  2300.55    214.358  2213.91    302.191  2388.30    304.113  63.433  4.4262  65.928  4.2821  -2.494690      6.158507  
1 1 1 12  79  2  o 52.734  3.3035  1521.45    187.736  1679.08    266.773  1366.79    264.242  55.179  4.5030  49.641  4.9818  5.537891       6.715337  
1 1 1 12  79  3  o 69.358  2.9307  2618.54    220.158  2827.58    313.875  2416.10    308.886  71.795  4.0530  66.287  4.3260  5.507736       5.927971  
1 1 1 12  79  4  o 55.269  3.2850  1671.13    195.762  1514.87    287.094  1806.92    267.627  52.221  5.1426  57.268  4.3471  -5.046436      6.733777  
1 1 1 12  79  5  o 14.212  5.6454  60.763     129.832  83.445     238.071  51.162     154.893  18.505  7.5406  14.944  6.0852  3.560501       9.689686  
1 1 1 12  79  6  o 37.630  4.5199  788.138    180.533  837.906    393.240  774.848    203.213  37.475  9.6348  37.148  5.1925  0.3267746      10.94493  
1 1 1 12  79  7  o 28.725  4.5214  463.757    136.019  426.460    418.847  468.154    143.813  28.830  10.433  28.807  4.7767  0.2315521E-01  11.47480  
1 1 1 12  79  8  o 41.767  3.4415  959.249    154.304  2203.59    478.534  814.855    163.012  62.235  7.2341  38.369  3.9805  23.86677       8.256916  
1 1 1 12  79  9  o 19.888  5.5295  226.004    123.422  276.827    446.953  221.809    128.415  26.548  10.497  19.752  5.6915  6.795811       11.94068  
1 1 1 12  79  10 o 12.464  5.1863  22.065     115.780  161.911    438.405  11.580     120.042  24.544  10.142  12.388  5.2260  12.15608       11.40963  
1 1 1 12  79  11 o 48.361  3.4423  1287.94    179.132  2259.03    529.961  1162.68    190.335  62.171  8.0599  45.835  3.8702  16.33621       8.940943  
1 1 1 12  79  12 o 34.602  0.8723  648.995    32.693   684.414    33.581   5.5116     143.132  35.534  0.8725  13.236  5.6498  22.29769       5.716819  
1 1 1 12  79  13 o 13.687  5.7120  30.319     141.029  299.832    478.799  4.7150     147.576  26.497  10.732  13.363  5.7212  13.13456       12.16171  
1 1 1 12  79  14 o 19.521  6.4743  213.286    159.670  0.0000     0.0000   213.286    159.670  ?       ?       19.521  6.4743  0.000000       6.474323  
1 1 1 12  79  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  79  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  79  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  79  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  79  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  80  0  o 32.025  4.6884  574.067    157.806  651.652    215.801  484.897    231.353  33.825  6.1154  28.913  7.3667  4.912287       9.574299  
1 1 1 12  80  1  o 58.634  3.1962  1878.81    202.218  1818.51    280.882  1943.70    291.364  57.415  4.5541  59.367  4.5663  -1.951931      6.449111  
1 1 1 12  80  2  o 22.165  6.0771  280.784    150.252  93.517     211.353  472.128    213.642  17.911  7.1737  28.549  6.9699  -10.63803      10.00206  
1 1 1 12  80  3  o 88.992  2.5827  4307.09    248.941  4555.10    326.688  3963.65    384.431  91.397  3.3001  85.082  4.1717  6.314613       5.319182  
1 1 1 12  80  4  o 100.353 2.8658  5483.27    311.491  5320.09    447.733  5636.33    433.636  98.547  4.1947  101.501 3.9444  -2.953827      5.757999  
1 1 1 12  80  5  o 31.340  4.8501  552.393    159.315  662.366    260.253  486.484    201.477  33.758  7.3281  29.004  6.5664  4.754230       9.839632  
1 1 1 12  80  6  o 84.625  2.6247  3896.90    240.575  4350.08    331.810  3394.64    349.314  89.259  3.4321  78.606  4.1172  10.65325       5.360141  
1 1 1 12  80  7  o 9.8745  4.5398  -81.4569   111.337  74.590     395.797  -94.8658   116.022  22.541  9.4982  9.8964  4.5799  12.64487       10.54468  
1 1 1 12  80  8  o 27.726  4.7242  434.791    136.782  501.229    457.844  428.280    143.328  30.527  10.925  27.448  5.0056  3.079416       12.01754  
1 1 1 12  80  9  o 37.396  3.7043  773.493    148.061  1061.14    475.263  742.575    155.816  41.552  10.543  36.570  3.9990  4.982170       11.27603  
1 1 1 12  80  10 f 53.044  1.6842  1527.93    96.760   1721.05    115.063  1061.58    178.807  56.277  1.8877  43.810  3.8061  12.46663       4.248497  
1 1 1 12  80  11 o 31.205  4.6220  550.800    151.493  1267.67    503.883  479.562    158.842  44.885  10.544  28.896  5.2694  15.98884       11.78735  
1 1 1 12  80  12 o 20.304  6.0882  237.800    144.497  485.171    487.082  213.929    151.309  29.589  11.153  19.520  6.2923  10.06848       12.80562  
1 1 1 12  80  13 o 20.651  1.7851  233.757    39.535   233.105    40.805   243.740    159.665  20.613  1.8473  20.567  6.4447  0.4595757E-01  6.704200  
1 1 1 12  80  14 o 55.665  6.3382  1802.44    375.320  0.0000     0.0000   1802.44    375.320  ?       ?       55.665  6.3382  0.000000       6.338206  
1 1 1 12  80  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  80  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  80  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  80  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  80  19 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  81  0  o 73.534  2.9961  2944.93    238.622  2845.08    334.904  3047.90    340.082  71.934  4.3185  74.484  4.2330  -2.549782      6.047094  
1 1 1 12  81  1  o 55.138  3.1643  1662.33    188.181  1715.98    262.624  1605.72    269.775  55.784  4.3820  53.884  4.6685  1.899021       6.402872  
1 1 1 12  81  2  o 57.085  2.4580  1771.67    151.973  1594.12    178.117  2246.84    291.385  54.007  3.0576  63.906  4.2337  -9.899170      5.222376  
1 1 1 12  81  3  o 56.332  3.1915  1735.47    193.923  1519.32    278.232  1939.66    270.431  52.318  4.9697  59.351  4.2347  -7.033348      6.529218  
1 1 1 12  81  4  o 28.164  1.7979  432.231    54.558   425.095    56.476   531.972    211.133  27.921  1.8784  30.340  6.6117  -2.419355      6.873355  
1 1 1 12  81  5  o 74.505  3.0020  3024.89    242.249  3232.89    361.604  2855.53    326.294  76.637  4.3745  72.058  4.1990  4.579704       6.063643  
1 1 1 12  81  6  o 140.074 3.5224  10721.43   534.406  11113.45   945.866  10537.62   647.688  141.304 6.1802  138.557 4.3158  2.746994       7.538010  
1 1 1 12  81  7  o 103.617 2.7507  5848.74    308.708  7122.37    670.375  5505.96    347.778  113.368 5.4596  100.431 3.1972  12.93681       6.326820  
1 1 1 12  81  8  o 35.053  3.9231  682.157    146.392  1365.65    471.902  609.378    153.989  47.750  9.4590  32.994  4.4202  14.75596       10.44081  
1 1 1 12  81  9  o 43.448  3.5166  1040.74    164.066  967.689    485.713  1050.15    174.312  39.405  10.974  43.598  3.7272  -4.193031      11.58991  
1 1 1 12  81  10 o 66.670  3.6271  2448.44    260.925  3539.21    552.920  2135.95    295.951  78.797  6.5377  61.994  4.4369  16.80367       7.901098  
1 1 1 12  81  11 o 12.614  5.3394  12.139     125.992  103.869    481.929  5.4100     130.531  24.144  10.338  12.658  5.3990  11.48592       11.66294  
1 1 1 12  81  12 o 37.606  4.2265  794.360    169.167  1082.28    515.478  759.609    179.085  40.393  11.325  36.639  4.6152  3.754189       12.22962  
1 1 1 12  81  13 o 17.883  6.4149  162.597    157.926  0.0000     0.0000   162.597    157.926  ?       ?       17.883  6.4149  0.000000       6.414880  
1 1 1 12  81  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  81  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  81  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  81  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  81  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  0  o 61.484  3.2101  2066.52    213.029  2159.39    294.233  1964.20    308.835  62.611  4.3662  59.586  4.8268  3.024487       6.508556  
1 1 1 12  82  1  o 24.773  5.8229  352.996    153.602  303.243    210.802  409.311    224.274  23.366  7.4160  26.617  7.4729  -3.250608      10.52812  
1 1 1 12  82  2  o 44.682  3.7396  1098.68    179.313  1120.16    257.769  1078.54    249.602  44.734  5.4316  43.902  5.3606  0.8318481      7.631374  
1 1 1 12  82  3  o 39.380  3.9959  857.362    168.078  770.928    243.771  935.689    232.058  36.747  6.3548  40.838  5.3771  -4.091282      8.324465  
1 1 1 12  82  4  o 31.983  4.7645  574.420    160.009  290.475    249.728  772.178    208.409  23.509  8.0959  37.034  5.3510  -13.52416      9.704457  
1 1 1 12  82  5  o 39.835  4.0405  878.271    171.918  968.096    280.364  824.145    217.636  41.191  6.4998  38.249  5.4039  2.941391       8.452779  
1 1 1 12  82  6  o 29.299  0.8705  465.151    27.623   476.570    27.944   -23.9089   182.873  29.656  0.8700  14.400  6.2676  15.25649       6.327643  
1 1 1 12  82  7  o 46.428  3.3530  1184.37    167.477  1510.99    430.642  1126.17    181.788  50.916  8.0786  45.185  3.7484  5.731647       8.905866  
1 1 1 12  82  8  o 61.311  3.0309  2053.16    201.269  3059.75    537.891  1889.28    217.035  73.300  6.8547  58.646  3.4317  14.65376       7.665782  
1 1 1 12  82  9  o 24.442  1.4721  325.446    38.791   330.136    40.367   268.889    140.190  24.613  1.5217  21.535  5.8559  3.078684       6.050417  
1 1 1 12  82  10 o 70.748  2.2261  2726.90    170.578  3022.50    244.720  2447.56    237.893  74.292  3.0413  66.791  3.2885  7.500931       4.479207  
1 1 1 12  82  11 o 60.221  3.2260  1997.51    209.656  2416.40    562.936  1930.05    225.908  63.403  8.4045  59.089  3.5462  4.314224       9.122048  
1 1 1 12  82  12 o 15.582  6.0834  92.562     148.461  0.0000     0.0000   92.562     148.461  ?       ?       15.582  6.0834  0.000000       6.083415  
1 1 1 12  82  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  82  18 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  0  o 65.824  3.1440  2362.04    224.150  2306.93    314.355  2419.04    319.705  64.674  4.5160  66.243  4.4823  -1.568748      6.362834  
1 1 1 12  83  1  o 65.855  3.0251  2363.31    215.773  2369.42    301.692  2356.91    308.727  65.606  4.2689  65.403  4.3835  0.2029419      6.118766  
1 1 1 12  83  2  o 92.132  2.9757  4625.26    296.940  4328.89    420.802  4919.20    419.078  88.815  4.3744  94.758  4.0833  -5.942619      5.984023  
1 1 1 12  83  3  o 72.914  3.0472  2898.46    240.647  3133.82    337.408  2654.77    343.322  75.495  4.1422  69.343  4.5973  6.151955       6.188101  
1 1 1 12  83  4  o 42.701  1.8754  990.058    86.738   1011.80    93.617   858.203    230.536  43.159  2.0027  38.974  5.6240  4.184601       5.969903  
1 1 1 12  83  5  o 11.268  5.1377  -85.2859   138.710  133.523    241.945  -192.4193  169.296  19.575  7.7284  11.161  5.2816  8.413630       9.360778  
1 1 1 12  83  6  o 21.311  6.7288  253.701    173.718  295.333    380.272  242.722    195.286  25.640  9.8089  21.266  7.1618  4.374342       12.14520  
1 1 1 12  83  7  o 25.391  5.1302  369.815    136.232  473.740    389.949  355.367    145.393  29.094  10.111  24.797  5.5518  4.297186       11.53497  
1 1 1 12  83  8  f 26.702  5.0215  408.336    139.898  1031.75    466.643  346.772    146.643  40.604  10.524  24.434  5.6534  16.17057       11.94645  
1 1 1 12  83  9  o 17.228  5.7752  159.057    126.984  90.565     457.592  164.772    132.175  23.596  10.088  17.535  5.8920  6.061699       11.68244  
1 1 1 12  83  10 o 37.490  3.9701  785.239    158.755  1491.03    491.770  703.127    167.736  48.928  9.6226  35.301  4.4884  13.62676       10.61792  
1 1 1 12  83  11 o 30.761  1.0585  513.260    35.267   536.195    36.277   118.289    150.543  31.441  1.0653  16.393  6.1953  15.04747       6.286255  
1 1 1 12  83  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  83  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  0  o 34.696  4.7116  673.875    172.478  688.625    233.844  656.276    255.424  34.622  6.4740  33.583  7.2356  1.038559       9.709114  
1 1 1 12  84  1  f 43.629  3.9023  1050.41    182.458  938.998    251.580  1174.05    265.014  40.742  5.8707  45.761  5.4544  -5.019318      8.013436  
1 1 1 12  84  2  f 70.893  3.0847  2741.29    236.858  2675.10    336.868  2806.02    333.100  69.616  4.4917  71.352  4.3307  -1.736656      6.239358  
1 1 1 12  84  3  o 30.721  5.1220  534.685    164.428  681.808    245.911  415.721    221.130  34.300  6.8589  26.717  7.3919  7.583008       10.08391  
1 1 1 12  84  4  o 122.186 3.0423  8146.32    402.623  8462.32    577.373  7847.20    561.739  124.071 4.2965  119.458 4.3416  4.613136       6.108144  
1 1 1 12  84  5  o 104.426 2.9049  5949.05    328.560  6005.31    475.677  5897.71    454.365  104.502 4.2026  103.618 4.0485  0.8838730      5.835432  
1 1 1 12  84  6  o 55.123  2.3002  1653.83    137.332  1642.12    158.975  1688.26    272.625  54.879  2.6746  55.097  4.6108  -0.2181053     5.330392  
1 1 1 12  84  7  o 14.322  5.5878  73.541     125.196  334.987    377.178  41.169     132.721  26.076  9.8174  13.699  5.6116  12.37699       11.30801  
1 1 1 12  84  8  o 15.403  5.7495  104.853    128.825  -169.5992  463.174  127.865    134.117  20.812  9.4501  16.309  5.9036  4.503195       11.14261  
1 1 1 12  84  9  o 47.674  1.6693  1235.30    86.193   1345.76    98.998   889.242    175.227  49.740  1.8376  39.885  4.1153  9.854897       4.506953  
1 1 1 12  84  10 o 14.655  5.7218  79.784     131.343  -36.9800   465.844  89.867     136.896  22.022  9.7772  15.145  5.8613  6.877220       11.39947  
1 1 1 12  84  11 o 20.652  9.2700  -85.9970   430.936  0.0000     0.0000   -85.9970   430.936  ?       ?       20.652  9.2700  0.000000       9.269962  
1 1 1 12  84  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  84  17 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  0  o 137.582 3.2415  10335.36   483.029  10422.48   681.473  10247.39   684.750  137.606 4.5724  136.415 4.6344  1.190765       6.510348  
1 1 1 12  85  1  o 75.071  2.5724  3068.11    209.162  3091.20    253.257  3018.60    370.964  75.262  3.1068  73.883  4.6596  1.379280       5.600344  
1 1 1 12  85  2  o 41.589  3.9021  956.429    173.719  939.323    252.398  971.827    239.462  40.685  5.8999  41.528  5.4559  -0.8432388     8.035887  
1 1 1 12  85  3  o 58.056  3.3130  1848.29    207.458  1819.21    299.043  1875.28    288.046  57.184  4.8748  58.145  4.6117  -0.9607658     6.710536  
1 1 1 12  85  4  o 77.391  3.0043  3270.28    251.832  3194.39    367.515  3337.46    345.767  75.983  4.4856  77.800  4.1180  -1.817307      6.089202  
1 1 1 12  85  5  o 15.448  6.0923  80.687     150.189  269.765    257.342  -16.9812   184.956  22.904  8.1916  14.556  6.3194  8.347536       10.34590  
1 1 1 12  85  6  o 26.654  6.5439  417.450    187.527  708.707    394.281  332.303    213.183  33.936  10.029  23.998  7.4350  9.937578       12.48471  
1 1 1 12  85  7  o 35.355  4.1354  699.292    155.366  1228.93    415.927  613.407    167.490  45.002  8.8487  32.883  4.8482  12.11904       10.08984  
1 1 1 12  85  8  o 34.186  4.2668  656.958    154.544  1196.33    453.585  586.119    164.380  43.669  9.8274  32.078  4.8855  11.59047       10.97476  
1 1 1 12  85  9  o 41.191  3.8427  944.920    169.459  1537.93    506.381  870.134    179.828  49.551  9.7825  39.380  4.2853  10.17153       10.67992  
1 1 1 12  85  10 o 18.671  8.6259  -230.8929  408.944  0.0000     0.0000   -230.8929  408.944  ?       ?       18.671  8.6259  0.000000       8.625885  
1 1 1 12  85  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  85  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  0  o 42.178  4.0227  985.452    181.543  1243.69    253.200  712.246    260.433  47.155  5.0354  34.930  7.1251  12.22488       8.724798  
1 1 1 12  86  1  o 15.065  6.0101  68.841     147.736  -7.1946    211.948  140.695    206.038  15.790  6.8098  18.726  7.2066  -2.935968      9.915077  
1 1 1 12  86  2  o 4.2856  2.0259  -29.0590   24.798   -31.5481   24.963   156.855    215.742  4.2251  2.0076  19.354  7.3919  -15.12849      7.659725  
1 1 1 12  86  3  f 14.758  5.9024  64.988     142.851  157.703    225.515  2.8559     184.612  19.592  7.5396  14.932  6.3962  4.659854       9.887264  
1 1 1 12  86  4  o 22.528  6.2813  294.610    159.027  430.008    250.373  203.047    205.892  27.012  7.9947  20.250  7.3171  6.761843       10.83763  
1 1 1 12  86  5  o 66.469  2.2800  2406.34    164.145  2537.29    195.192  2090.09    303.338  68.186  2.6430  61.251  4.6061  6.935635       5.310543  
1 1 1 12  86  6  o 87.413  2.6916  4173.70    254.836  4729.70    354.444  3578.73    366.652  92.768  3.5276  80.336  4.2287  12.43295       5.506884  
1 1 1 12  86  7  o 81.884  2.4483  3658.95    217.136  3984.81    337.579  3428.98    283.585  85.053  3.6645  79.020  3.3134  6.032928       4.940375  
1 1 1 12  86  8  o 79.714  2.4376  3468.52    210.462  3845.31    324.805  3195.83    276.316  83.548  3.5894  76.251  3.3457  7.297089       4.906873  
1 1 1 12  86  9  o 35.237  10.909  803.755    459.046  0.0000     0.0000   803.755    459.046  ?       ?       35.237  10.909  0.000000       10.90905  
1 1 1 12  86  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  86  16 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  0  o 51.991  3.6183  1489.54    202.480  1428.40    287.002  1550.13    285.703  50.398  5.3390  52.613  5.0766  -2.215260      7.367315  
1 1 1 12  87  1  o 56.394  3.3284  1747.26    202.398  1596.78    282.570  1905.80    290.043  53.440  4.9377  58.531  4.6125  -5.091015      6.756991  
1 1 1 12  87  2  o 73.361  3.0826  2943.24    244.938  3165.91    345.465  2718.17    347.334  75.648  4.2333  69.938  4.6111  5.709984       6.259690  
1 1 1 12  87  3  o 21.484  1.3721  251.485    31.761   254.808    32.114   102.972    214.664  21.625  1.3783  18.003  7.2229  3.622822       7.353179  
1 1 1 12  87  4  o 26.912  5.8891  422.388    166.893  430.719    261.304  416.648    216.896  26.964  8.2101  26.500  7.3163  0.4640808      10.99695  
1 1 1 12  87  5  o 13.414  5.7780  -3.8202    152.217  -303.3394  251.495  169.329    191.217  13.227  6.3096  18.936  7.0173  -5.708800      9.436807  
1 1 1 12  87  6  f 21.123  6.9052  251.007    181.870  305.978    393.534  236.078    205.085  25.521  9.9209  21.004  7.3307  4.517136       12.33551  
1 1 1 12  87  7  o 41.012  4.9300  951.964    214.605  1084.16    437.083  909.972    246.343  41.456  9.8753  39.721  5.9057  1.734821       11.50648  
1 1 1 12  87  8  o 82.708  4.8823  3837.24    435.428  3592.23    605.779  4099.14    626.311  78.443  7.2107  84.045  6.9424  -5.602356      10.00961  
1 1 1 12  87  9  o 46.230  10.081  1362.49    490.525  0.0000     0.0000   1362.49    490.525  ?       ?       46.230  10.081  0.000000       10.08056  
1 1 1 12  87  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  87  15 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  0  o 12.979  5.7671  -49.3516   162.395  -94.1839   217.136  7.5567     244.637  14.482  6.5330  17.078  7.3404  -2.595954      9.826553  
1 1 1 12  88  1  o 28.857  5.9048  484.052    178.338  372.163    250.067  599.857    254.405  25.344  8.0807  31.703  7.5222  -6.358826      11.04001  
1 1 1 12  88  2  o 13.183  5.7955  -32.0346   159.855  92.031     232.625  -143.0378  220.038  18.256  7.4481  13.885  6.3831  4.370087       9.809092  
1 1 1 12  88  3  o 52.133  3.6367  1502.12    204.064  1215.31    295.402  1763.92    282.229  46.021  6.0749  56.158  4.6828  -10.13688      7.670234  
1 1 1 12  88  4  o 53.299  3.5772  1569.44    205.310  1639.09    309.024  1514.41    274.701  53.824  5.3727  51.887  4.9480  1.936649       7.303966  
1 1 1 12  88  5  o 46.410  2.1479  1173.29    107.969  1189.17    117.528  1087.42    273.319  46.699  2.3236  43.489  5.9593  3.210209       6.396250  
1 1 1 12  88  6  o 68.076  2.5148  2530.50    185.426  2704.12    230.506  2212.13    312.138  70.243  3.0298  62.889  4.6147  7.354588       5.520439  
1 1 1 12  88  7  o 43.513  2.3478  1035.94    110.240  1028.75    113.234  1166.46    482.572  43.347  2.4215  42.584  10.523  0.7632179      10.79843  
1 1 1 12  88  8  o 37.631  10.940  927.200    472.550  0.0000     0.0000   927.200    472.550  ?       ?       37.631  10.940  0.000000       10.93979  
1 1 1 12  88  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  88  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  0  o 12.657  5.7338  -84.0016   169.283  -299.1922  259.815  74.742     223.152  13.577  6.4589  17.607  7.2519  -4.029950      9.711207  
1 1 1 12  89  1  o 22.787  7.0549  300.107    191.984  329.493    298.066  279.272    250.978  24.701  8.8179  22.874  8.0994  1.827261       11.97315  
1 1 1 12  89  2  o 14.378  6.0078  31.883     156.296  -88.6944   236.281  125.689    208.407  15.223  6.8459  18.273  7.1860  -3.050360      9.924993  
1 1 1 12  89  3  o 17.858  6.5746  151.251    167.349  269.614    255.393  62.189     221.536  22.676  8.1552  17.284  7.1814  5.391909       10.86646  
1 1 1 12  89  4  o 21.093  6.6029  254.536    167.647  48.770     263.967  393.643    217.040  18.291  7.7346  25.723  7.3956  -7.432249      10.70138  
1 1 1 12  89  5  o 25.547  6.9033  388.173    195.545  559.624    405.660  336.274    223.188  30.397  10.322  24.031  7.6311  6.366777       12.83632  
1 1 1 12  89  6  o 22.465  8.6662  230.293    298.508  -72.0130   399.300  613.292    449.442  20.155  8.9936  31.556  10.861  -11.40092      14.10152  
1 1 1 12  89  7  o 39.383  10.938  1016.36    483.224  0.0000     0.0000   1016.36    483.224  ?       ?       39.383  10.938  0.000000       10.93825  
1 1 1 12  89  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  89  14 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  0  o 54.871  4.3414  1677.84    255.908  1763.58    366.017  1595.85    357.935  55.479  6.1970  52.646  6.4095  2.832806       8.915409  
1 1 1 12  90  1  o 33.922  6.3989  673.153    226.484  392.810    333.928  911.974    308.209  26.475  9.3459  39.133  7.5452  -12.65749      12.01147  
1 1 1 12  90  2  o 10.916  5.1918  -200.1201  167.684  -275.2820  277.661  -156.9698  210.382  14.424  6.8065  13.293  6.1573  1.130328       9.178292  
1 1 1 12  90  3  o 54.210  3.7131  1626.66    216.701  1589.27    319.611  1658.46    294.813  52.832  5.6743  54.240  5.0774  -1.408005      7.614316  
1 1 1 12  90  4  o 20.934  7.1822  238.888    196.452  437.172    447.082  191.442    218.696  28.409  10.690  20.063  7.4908  8.345512       13.05316  
1 1 1 12  90  5  o 50.430  3.0013  1398.74    163.192  1268.28    171.725  2614.46    524.229  47.926  3.3288  66.760  7.3730  -18.83411      8.089597  
1 1 1 12  90  6  o 19.166  8.8729  -251.8173  436.048  0.0000     0.0000   -251.8173  436.048  ?       ?       19.166  8.8729  0.000000       8.872902  
1 1 1 12  90  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  90  13 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  0  o 28.400  5.8361  470.556    173.515  423.944    259.538  508.227    233.325  26.673  8.1937  29.101  7.3891  -2.427063      11.03338  
1 1 1 12  91  1  o 37.910  6.0009  831.078    238.199  819.492    350.819  840.988    324.452  36.411  8.9572  37.190  8.2689  -0.7782822     12.19046  
1 1 1 12  91  2  o 20.085  7.3534  199.923    208.926  407.763    336.648  69.727     266.446  26.756  9.3892  18.707  7.8330  8.048599       12.22754  
1 1 1 12  91  3  o 23.178  9.7369  137.160    413.915  0.0000     0.0000   137.160    413.915  ?       ?       23.178  9.7369  0.000000       9.736899  
1 1 1 12  91  4  o 65.308  8.6943  2578.71    599.717  0.0000     0.0000   2578.71    599.717  ?       ?       65.308  8.6943  0.000000       8.694329  
1 1 1 12  91  5  o 47.535  10.356  1445.23    518.093  0.0000     0.0000   1445.23    518.093  ?       ?       47.535  10.356  0.000000       10.35586  
1 1 1 12  91  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  91  12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  0  o 73.601  3.9283  3001.76    312.022  2801.48    372.104  3476.12    572.674  70.656  4.8924  77.457  6.8984  -6.801155      8.457143  
1 1 1 12  92  1  o 44.405  4.8232  1112.71    228.246  845.105    468.227  1196.12    261.407  36.144  10.987  45.845  5.3660  -9.701569      12.22716  
1 1 1 12  92  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  92  11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  0  o 45.158  7.0410  1201.00    333.145  1029.83    467.584  1377.48    474.776  39.884  10.631  46.890  9.6697  -7.005802      14.37078  
1 1 1 12  93  1  o 93.773  6.8735  5094.94    693.252  0.0000     0.0000   5094.94    693.252  ?       ?       93.773  6.8735  0.000000       6.873514  
1 1 1 12  93  2  o 32.742  10.798  680.199    444.348  0.0000     0.0000   680.199    444.348  ?       ?       32.742  10.798  0.000000       10.79768  
1 1 1 12  93  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  93  10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  0  o 20.041  9.0312  -106.8164  413.671  0.0000     0.0000   -106.8164  413.671  ?       ?       20.041  9.0312  0.000000       9.031184  
1 1 1 12  94  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  94  9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  95  8  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  6  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  96  7  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  4  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  97  5  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  98  0  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  98  1  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  98  2  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 12  98  3  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  0   0  o 209.801 5.6254  23897.99   1276.21  23897.99   1276.21  23897.99   1276.21  209.801 5.6254  209.801 5.6254  0.000000       0.000000  
1 1 1 13  0   1  o 46.045  3.8497  1172.30    188.905  1172.30    188.905  1172.30    188.905  46.045  3.8497  46.045  3.8497  0.000000       0.000000  
1 1 1 13  0   2  o 208.916 5.6214  23697.89   1269.90  23697.89   1269.90  23697.89   1269.90  208.916 5.6214  208.916 5.6214  0.000000       0.000000  
1 1 1 13  0   3  o 626.167 14.701  213353.00  9957.60  213353.00  9957.60  213353.00  9957.60  626.167 14.701  626.167 14.701  0.000000       0.000000  
1 1 1 13  0   4  o 74.958  3.7342  3066.09    301.454  3066.09    301.454  3066.09    301.454  74.958  3.7342  74.958  3.7342  0.000000       0.000000  
1 1 1 13  0   5  o 334.869 8.2358  60909.38   2983.03  60909.38   2983.03  60909.38   2983.03  334.869 8.2358  334.869 8.2358  0.000000       0.000000  
1 1 1 13  0   6  o 200.002 5.4308  21722.71   1174.48  21722.71   1174.48  21722.71   1174.48  200.002 5.4308  200.002 5.4308  0.000000       0.000000  
1 1 1 13  0   7  o 87.264  3.9277  4150.34    369.517  4150.34    369.517  4150.34    369.517  87.264  3.9277  87.264  3.9277  0.000000       0.000000  
1 1 1 13  0   8  o 55.970  5.7027  1750.08    337.485  1750.08    337.485  1750.08    337.485  55.970  5.7027  55.970  5.7027  0.000000       0.000000  
1 1 1 13  0   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  0   10 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  0   11 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  0   12 o 42.660  9.1546  1113.64    371.354  1113.64    371.354  1113.64    371.354  42.660  9.1546  42.660  9.1546  0.000000       0.000000  
1 1 1 13  0   13 o 193.267 5.4095  20300.44   1130.35  20300.44   1130.35  20300.44   1130.35  193.267 5.4095  193.267 5.4095  0.000000       0.000000  
1 1 1 13  0   14 o 48.280  5.6879  1315.76    286.598  1315.76    286.598  1315.76    286.598  48.280  5.6879  48.280  5.6879  0.000000       0.000000  
1 1 1 13  0   15 o 120.709 4.5500  7932.56    592.950  7932.56    592.950  7932.56    592.950  120.709 4.5500  120.709 4.5500  0.000000       0.000000  
1 1 1 13  0   16 o 112.264 4.3986  6864.37    532.977  6864.37    532.977  6864.37    532.977  112.264 4.3986  112.264 4.3986  0.000000       0.000000  
1 1 1 13  0   17 o 66.822  5.2279  2466.61    373.047  2466.61    373.047  2466.61    373.047  66.822  5.2279  66.822  5.2279  0.000000       0.000000  
1 1 1 13  0   18 o 76.757  4.7421  3232.93    390.790  3232.93    390.790  3232.93    390.790  76.757  4.7421  76.757  4.7421  0.000000       0.000000  
1 1 1 13  0   19 o 41.085  7.5521  1006.19    302.564  1006.19    302.564  1006.19    302.564  41.085  7.5521  41.085  7.5521  0.000000       0.000000  
1 1 1 13  0   20 o 153.096 4.8485  12775.51   802.145  12775.51   802.145  12775.51   802.145  153.096 4.8485  153.096 4.8485  0.000000       0.000000  
1 1 1 13  0   21 o 45.094  6.9725  1186.63    316.310  1186.63    316.310  1186.63    316.310  45.094  6.9725  45.094  6.9725  0.000000       0.000000  
1 1 1 13  0   22 o 21.864  10.587  390.857    292.537  390.857    292.537  390.857    292.537  21.864  10.587  21.864  10.587  0.000000       0.000000  
1 1 1 13  0   23 o 12.330  8.0756  -30.9676   268.174  -30.9676   268.174  -30.9676   268.174  12.330  8.0756  12.330  8.0756  0.000000       0.000000  
1 1 1 13  0   24 f 38.564  7.6642  909.219    284.332  909.219    284.332  909.219    284.332  38.564  7.6642  38.564  7.6642  0.000000       0.000000  
1 1 1 13  0   25 o 22.853  10.201  423.944    268.206  423.944    268.206  423.944    268.206  22.853  10.201  22.853  10.201  0.000000       0.000000  
1 1 1 13  0   26 o 16.883  9.8161  208.539    295.295  208.539    295.295  208.539    295.295  16.883  9.8161  16.883  9.8161  0.000000       0.000000  
1 1 1 13  0   27 o 19.527  10.831  318.683    337.068  318.683    337.068  318.683    337.068  19.527  10.831  19.527  10.831  0.000000       0.000000  
1 1 1 13  0   28 o 21.632  11.434  415.143    358.370  415.143    358.370  415.143    358.370  21.632  11.434  21.632  11.434  0.000000       0.000000  
1 1 1 13  0   29 o 15.979  9.9811  145.876    353.609  145.876    353.609  145.876    353.609  15.979  9.9811  15.979  9.9811  0.000000       0.000000  
1 1 1 13  0   30 o 18.105  10.751  292.229    367.262  292.229    367.262  292.229    367.262  18.105  10.751  18.105  10.751  0.000000       0.000000  
1 1 1 13  0   31 o 23.680  11.919  570.189    377.033  570.189    377.033  570.189    377.033  23.680  11.919  23.680  11.919  0.000000       0.000000  
1 1 1 13  0   32 o 18.514  10.907  352.616    372.738  352.616    372.738  352.616    372.738  18.514  10.907  18.514  10.907  0.000000       0.000000  
1 1 1 13  0   33 o 11.387  7.9533  -208.4621  359.935  -208.4621  359.935  -208.4621  359.935  11.387  7.9533  11.387  7.9533  0.000000       0.000000  
1 1 1 13  1   0  o 180.096 3.5563  17570.59   693.698  17602.68   980.998  17538.50   981.077  180.232 5.0253  179.903 5.0349  0.3290863      7.113703  
1 1 1 13  1   1  o 211.324 3.9912  24194.54   913.526  23938.91   1291.93  24450.16   1291.92  210.160 5.6757  212.395 5.6159  -2.234146      7.984465  
1 1 1 13  1   2  o 234.933 4.3187  29905.36   1098.92  31319.96   1553.93  28490.11   1554.28  240.370 5.9687  229.242 6.2598  11.12717       8.649346  
1 1 1 13  1   3  o 425.514 7.1593  98201.26   3299.54  103458.00  4666.71  92946.55   4665.80  436.461 9.8718  413.628 10.415  22.83249       14.34982  
1 1 1 13  1   4  o 402.614 6.8018  87912.54   2966.09  85167.11   4194.45  90658.56   4194.91  395.970 9.7801  408.573 9.4794  -12.60352      13.62021  
1 1 1 13  1   5  o 230.112 4.2673  28694.06   1063.57  29707.86   1504.29  27680.74   1503.94  234.073 5.9335  225.936 6.1458  8.137085       8.542650  
1 1 1 13  1   6  o 408.382 6.7969  90478.95   3006.39  99826.88   4252.85  81141.28   4250.51  428.649 9.1603  386.311 10.159  42.33722       13.67872  
1 1 1 13  1   7  o 409.993 8.0197  91288.30   3561.25  86439.71   4361.29  100990.00  6169.23  398.628 10.101  430.188 13.240  -31.55930      16.65368  
1 1 1 13  1   8  o 355.454 8.7080  68683.16   3352.54  63693.83   4742.08  73668.84   4740.35  341.549 12.819  367.527 11.908  -25.97748      17.49652  
1 1 1 13  1   9  x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  1   10 o 254.993 9.3464  35403.21   2581.34  0.0000     0.0000   35403.21   2581.34  ?       ?       254.993 9.3464  0.000000       9.346432  
1 1 1 13  1   11 o 150.489 6.6130  12301.92   1077.88  12301.92   1077.88  0.0000     0.0000   150.489 6.6130  ?       ?       0.000000       6.612961  
1 1 1 13  1   12 o 193.638 4.4347  20336.49   930.086  20124.06   1618.38  20441.25   1136.52  192.325 7.7692  194.065 5.4070  -1.740372      9.465528  
1 1 1 13  1   13 o 183.109 3.7023  18178.66   734.267  18476.76   1036.68  17878.57   1040.15  184.502 5.1877  181.482 5.2916  3.019547       7.410370  
1 1 1 13  1   14 o 164.980 3.4982  14756.70   625.097  15066.66   880.986  14442.43   887.086  166.615 4.8819  163.116 5.0211  3.498352       7.003147  
1 1 1 13  1   15 f 231.026 4.3164  28959.22   1080.07  29122.23   1526.39  28795.76   1528.51  231.458 6.0887  230.151 6.1318  1.307190       8.641185  
1 1 1 13  1   16 o 168.900 3.5619  15472.14   651.607  15186.95   918.038  15761.69   925.024  167.209 5.0691  170.349 5.0135  -3.140198      7.129610  
1 1 1 13  1   17 o 194.265 3.8714  20479.06   814.568  20319.37   1148.25  20640.84   1155.73  193.309 5.4842  194.833 5.4768  -1.524216      7.750594  
1 1 1 13  1   18 o 216.453 4.1554  25446.50   974.198  25850.24   1377.36  25042.34   1378.08  217.857 5.8372  214.405 5.9343  3.451874       8.324020  
1 1 1 13  1   19 o 120.830 3.2220  7924.62    421.673  8081.42    604.157  7775.69    588.810  121.879 4.5767  119.555 4.5471  2.324173       6.451552  
1 1 1 13  1   20 o 39.893  5.2864  883.797    222.786  705.578    341.368  1016.02    294.037  35.019  8.9626  42.559  6.5919  -7.540215      11.12572  
1 1 1 13  1   21 o 42.296  4.8708  990.576    219.059  1071.18    308.972  909.106    310.628  43.591  6.7633  39.920  7.4584  3.670368       10.06832  
1 1 1 13  1   22 o 87.155  3.2599  4136.35    307.724  4025.34    435.303  4247.24    435.073  85.596  4.7135  87.965  4.5823  -2.368340      6.573799  
1 1 1 13  1   23 o 79.587  3.2977  3453.79    284.262  3436.56    400.154  3471.34    403.885  78.978  4.6991  79.372  4.7193  -0.3941956     6.659869  
1 1 1 13  1   24 o 62.361  3.6512  2135.18    245.541  2010.77    340.784  2269.51    354.093  60.058  5.2930  63.874  5.1624  -3.816032      7.393654  
1 1 1 13  1   25 o 35.109  5.3511  699.752    197.052  737.808    278.284  661.481    279.064  35.390  7.4934  33.375  7.8512  2.015007       10.85325  
1 1 1 13  1   26 o 18.206  6.9087  144.135    187.693  169.093    266.510  119.575    264.378  20.694  8.1300  19.653  7.9696  1.040869       11.38471  
1 1 1 13  1   27 o 42.722  5.7198  1049.82    258.025  1251.30    372.772  864.503    357.513  45.640  7.8224  37.222  8.9729  8.418289       11.90394  
1 1 1 13  1   28 o 22.092  8.0277  262.746    248.327  -47.1957   351.176  572.730    351.199  18.989  8.4566  30.017  9.5769  -11.02816      12.77622  
1 1 1 13  1   29 o 24.538  8.2101  377.116    256.625  637.877    361.643  112.632    364.216  30.573  9.7145  20.871  8.9633  9.701658       13.21784  
1 1 1 13  1   30 o 15.203  6.9229  -68.8973   250.825  99.856     358.098  -231.4303  351.436  19.862  8.7045  16.124  7.6238  3.738070       11.57108  
1 1 1 13  1   31 o 26.342  8.3029  492.322    264.588  480.960    365.999  504.760    382.944  25.474  9.6521  25.878  9.8568  -0.4044247     13.79559  
1 1 1 13  1   32 o 35.323  7.3467  853.792    271.916  1007.06    383.103  698.188    386.008  35.492  9.6926  28.667  10.054  6.825420       13.96551  
1 1 1 13  1   33 o 29.657  8.1974  661.619    272.104  438.860    383.466  887.535    386.175  23.362  9.5506  31.893  10.028  -8.530910      13.84796  
1 1 1 13  2   0  o 239.414 4.3635  31056.15   1131.51  32277.51   1600.22  29834.84   1600.18  244.023 6.0545  234.598 6.2976  9.423965       8.735948  
1 1 1 13  2   1  o 398.896 6.7312  86272.24   2908.19  83788.83   4112.33  88756.82   4113.29  392.867 9.6643  404.374 9.3915  -11.50647      13.47590  
1 1 1 13  2   2  o 97.800  2.6887  5180.87    284.808  4735.83    399.106  5642.67    406.555  93.494  3.9412  102.057 3.6780  -8.562416      5.390802  
1 1 1 13  2   3  o 109.982 2.8107  6552.14    334.810  6302.83    473.222  6802.03    473.764  107.856 4.0509  112.048 3.9038  -4.191780      5.625794  
1 1 1 13  2   4  o 290.554 5.1299  45756.63   1614.38  45904.69   2283.08  45608.56   2283.08  290.903 7.2461  289.962 7.2696  0.9414063      10.26413  
1 1 1 13  2   5  f 53.289  2.7258  1542.29    156.801  1621.42    225.563  1468.29    218.124  54.569  3.8409  51.909  3.9083  2.659576       5.479709  
1 1 1 13  2   6  o 179.936 3.5612  17542.37   694.031  18230.61   983.395  16859.40   979.633  183.389 4.9509  176.352 5.1288  7.037704       7.128508  
1 1 1 13  2   7  o 161.300 4.7460  14103.90   829.144  14115.20   1175.30  14092.71   1169.89  161.284 6.7280  161.157 6.7023  0.1272888      9.496708  
1 1 1 13  2   8  f 35.627  5.0721  702.102    190.199  706.428    276.860  698.235    261.739  35.406  7.4553  35.234  7.1038  0.1711922      10.29785  
1 1 1 13  2   9  o 258.699 6.6197  36332.81   1854.82  0.0000     0.0000   36332.81   1854.82  ?       ?       258.699 6.6197  0.000000       6.619669  
1 1 1 13  2   10 o 244.287 6.3269  32398.05   1674.03  32048.87   2361.60  32750.70   2373.32  242.662 8.9853  245.311 8.9324  -2.649765      12.66981  
1 1 1 13  2   11 o 332.451 11.635  60419.68   4189.45  60419.68   4189.45  0.0000     0.0000   332.451 11.635  ?       ?       0.000000       11.63481  
1 1 1 13  2   12 o 123.797 4.4134  8312.03    591.763  8882.15    833.880  7733.63    839.911  127.890 6.0200  119.128 6.5345  8.761482       8.884808  
1 1 1 13  2   13 o 86.063  2.9868  4014.18    278.417  4027.25    396.982  4001.53    390.577  86.169  4.2535  85.896  4.1982  0.2738953      5.976412  
1 1 1 13  2   14 o 229.398 4.3118  28547.13   1071.33  28645.40   1515.45  28448.94   1514.73  229.597 6.0940  228.806 6.1122  0.7909851      8.631127  
1 1 1 13  2   15 f 269.289 4.8523  39366.02   1415.26  39731.47   2000.82  39000.10   2002.13  270.218 6.8364  267.706 6.9050  2.511444       9.716731  
1 1 1 13  2   16 o 25.590  6.6868  369.570    187.384  502.903    263.215  232.558    266.823  29.849  7.9854  22.856  8.3188  6.992645       11.53120  
1 1 1 13  2   17 o 105.808 3.1175  6070.85    357.267  6120.26    501.582  6019.98    509.004  106.171 4.3618  105.291 4.4633  0.8797760      6.240737  
1 1 1 13  2   18 o 183.758 3.7623  18330.10   748.810  18438.56   1060.85  18222.40   1057.12  184.081 5.3207  182.997 5.3335  1.084274       7.533663  
1 1 1 13  2   19 o 142.956 3.3262  11094.26   515.016  11269.80   728.934  10919.29   727.753  143.912 4.6765  141.646 4.7436  2.265411       6.661196  
1 1 1 13  2   20 o 57.827  3.8297  1826.74    238.505  1875.21    346.151  1782.94    329.090  58.321  5.5467  56.881  5.4067  1.440285       7.745872  
1 1 1 13  2   21 o 74.535  3.4799  3023.24    280.930  3469.65    390.825  2545.99    404.097  79.584  4.5530  67.929  5.5406  11.65472       7.171310  
1 1 1 13  2   22 o 76.964  3.3233  3226.26    277.026  3255.09    395.572  3198.51    388.085  76.931  4.7709  76.270  4.7211  0.6619186      6.711956  
1 1 1 13  2   23 f 43.717  2.1780  1038.12    103.129  1420.67    311.097  990.889    109.309  50.373  5.8084  42.634  2.3767  7.739388       6.275872  
1 1 1 13  2   24 o 25.783  6.8841  386.450    195.855  647.347    288.739  164.107    266.552  33.098  8.1164  20.853  8.1486  12.24466       11.50114  
1 1 1 13  2   25 o 13.262  5.9715  -80.3367   180.445  -99.8365   263.358  -63.0820   247.734  16.129  7.2427  16.121  7.1450  0.7623672E-02  10.17387  
1 1 1 13  2   26 o 32.323  6.1644  608.203    207.931  628.225    308.975  591.630    281.114  32.100  8.6788  31.270  8.1994  0.8308983      11.93952  
1 1 1 13  2   27 f 67.997  3.8855  2565.50    284.970  2527.05    376.643  2616.99    435.820  66.832  5.2454  67.569  6.0181  -0.7368622     7.983179  
1 1 1 13  2   28 f 40.506  6.1502  962.226    261.342  981.758    376.595  944.083    362.967  39.316  9.0334  38.638  8.8619  0.6781006      12.65446  
1 1 1 13  2   29 o 31.239  7.7349  623.384    260.330  644.507    365.988  601.752    370.374  30.688  9.7750  29.725  9.8607  0.9638786      13.88463  
1 1 1 13  2   30 o 16.901  7.3501  46.819     251.078  -71.1416   351.502  169.705    358.765  17.692  8.1090  20.826  8.9187  -3.133888      12.05397  
1 1 1 13  2   31 o 43.733  6.0595  1192.05    279.310  1041.71    388.464  1352.95    401.886  37.198  9.5828  43.676  8.7997  -6.477165      13.01019  
1 1 1 13  2   32 o 20.209  8.0235  255.180    262.135  299.156    366.103  208.915    375.506  21.704  9.1397  20.524  8.9560  1.180460       12.79625  
1 1 1 13  2   33 o 16.954  7.4411  88.051     262.557  199.188    371.576  -22.7704   371.048  19.928  8.7952  17.471  8.1217  2.456301       11.97155  
1 1 1 13  3   0  o 421.142 7.1048  96172.43   3240.79  94960.46   4583.01  97384.57   4583.32  418.206 10.118  423.523 9.9915  -5.317810      14.21981  
1 1 1 13  3   1  o 233.693 4.2876  29589.80   1085.25  30877.42   1535.17  28303.49   1534.39  238.671 5.9386  228.498 6.1999  10.17371       8.585205  
1 1 1 13  3   2  o 176.082 3.5170  16796.39   670.753  16186.12   948.272  17407.48   948.903  172.822 5.0660  179.228 4.8882  -6.406113      7.039784  
1 1 1 13  3   3  o 384.053 6.5499  79977.72   2724.55  78446.84   3853.02  81508.72   3853.17  380.110 9.3588  387.476 9.1813  -7.365784      13.11043  
1 1 1 13  3   4  o 349.674 6.0158  66292.66   2278.39  68192.32   3222.35  64393.54   3221.91  354.456 8.3935  344.419 8.6369  10.03690       12.04349  
1 1 1 13  3   5  o 40.084  3.1463  875.793    135.499  1012.14    190.728  736.855    192.534  43.020  4.1446  36.532  4.9969  6.487255       6.492031  
1 1 1 13  3   6  o 164.150 4.8076  14605.33   854.742  14264.84   1213.06  14941.07   1204.56  162.148 6.9072  165.956 6.7014  -3.807846      9.623837  
1 1 1 13  3   7  o 50.695  3.8928  1400.90    212.116  1071.56    316.430  1669.66    285.850  43.913  6.8789  55.288  4.8218  -11.37516      8.400531  
1 1 1 13  3   8  o 176.208 4.9635  16835.51   947.292  17918.55   1344.76  15768.68   1334.65  181.686 6.8336  170.415 7.2308  11.27142       9.949040  
1 1 1 13  3   9  o 173.011 4.0233  16224.98   753.917  16602.17   1292.14  16030.29   928.310  174.861 6.8225  171.928 4.9851  2.933105       8.449773  
1 1 1 13  3   10 o 231.747 5.0297  29130.78   1262.49  29092.00   1548.35  29207.70   2180.73  231.501 6.1752  231.692 8.6900  -0.1914673     10.66063  
1 1 1 13  3   11 o 111.071 5.7659  6714.51    691.259  6714.51    691.259  0.0000     0.0000   111.071 5.7659  ?       ?       0.000000       5.765867  
1 1 1 13  3   12 x ?       ?       ?          ?        ?          ?        ?          ?        ?       ?       ?       ?       ?              ?         
1 1 1 13  3   13 o 307.819 5.3966  51439.70   1799.24  54109.25   2546.68  48779.23   2542.35  315.355 7.4560  299.346 7.8414  16.00864       10.82030  
1 1 1 13  3   14 o 298.698 5.3017  48442.79   1715.20  48373.88   2427.84  48511.46   2423.47  298.096 7.5196  298.525 7.4953  -0.4286194     10.61713  
1 1 1 13  3   15 o 61.090  3.4730  2030.06    228.846  2097.60    320.735  1960.02    326.620  61.977  4.8158  59.867  5.0853  2.109661       7.003736  
1 1 1 13  3   16 o 184.499 3.7537  18465.00   750.113  18124.22   1062.36  18803.80   1059.28  182.629 5.3707  186.035 5.2571  -3.405670      7.515450  
1 1 1 13  3   17 o 136.299 3.2694  10075.37   482.652  9933.22    679.106  10220.46   686.093  135.235 4.6364  137.178 4.6177  -1.943054      6.543641  
1 1 1 13  3   18 o 81.878  3.2935  3637.18    292.072  3458.59    398.638  3844.16    429.152  79.636  4.6418  83.960  4.7385  -4.324234      6.633241  
1 1 1 13  3   19 o 28.427  1.6831  439.422    51.591   590.365    291.888  434.554    52.416   32.174  8.3157  28.266  1.7203  3.908283       8.491828  
1 1 1 13  3   20 o 51.991  4.2278  1481.26    236.014  1358.56    329.858  1609.96    337.834  49.407  6.3081  53.936  5.8782  -4.529110      8.622334  
1 1 1 13  3   21 o 73.969  3.3542  2976.51    268.722  2901.33    387.410  3046.22    373.057  72.671  4.9515  74.535  4.6442  -1.863396      6.788622  
1 1 1 13  3   22 o 73.901  3.3461  2974.87    267.831  2857.59    383.501  3086.53    374.210  72.019  4.9464  74.937  4.6332  -2.918404      6.777428  
1 1 1 13  3   23 o 148.963 3.3836  12104.13   545.921  12602.79   773.291  11608.65   770.813  151.489 4.7129  145.311 4.8976  6.178162       6.796922  
1 1 1 13  3   24 o 64.160  3.5886  2258.73    248.379  2159.79    357.304  2351.25    345.513  62.238  5.3525  65.092  4.9376  -2.853951      7.282094  
1 1 1 13  3   25 o 31.676  6.3116  581.782    208.940  412.716    320.967  706.114    275.247  27.115  9.1813  34.582  7.5595  -7.467075      11.89296  
1 1 1 13  3   26 o 33.321  6.2110  646.115    215.910  945.624    333.460  429.909    283.317  39.717  8.0278  27.012  8.6000  12.70501       11.76457  
1 1 1 13  3   27 o 23.008  7.5625  304.635    218.033  445.837    286.952  111.766    335.367  27.193  8.6547  21.046  8.7979  6.147009       12.34126  
1 1 1 13  3   28 o 27.983  8.0804  485.138    258.588  507.396    388.651  467.458    346.385  28.683  10.087  27.654  9.5341  1.029190       13.87979  
1 1 1 13  3   29 o 27.654  8.0532  493.194    255.879  369.998    361.332  617.124    362.406  25.007  9.5628  30.088  9.7422  -5.080467      13.65124  
1 1 1 13  3   30 o 15.018  6.8584  -77.4676   248.441  175.284    344.597  -351.0477  358.515  20.695  8.7983  15.312  7.3647  5.382779       11.47383  
1 1 1 13  3   31 o 23.433  8.2739  377.466    261.735  309.327    362.800  451.419    377.964  22.485  9.2522  24.927  9.7136  -2.441830      13.41476  
1 1 1 13  3   32 o 29.887  8.4045  662.738    283.439  367.453    377.304  1045.23    429.421  22.787  9.4122  34.894  10.503  -12.10605      14.10305  
1 1 1 13  3   33 o 20.898  8.2618  303.085    276.842  604.253    373.798  -62.8127   412.014  26.300  9.7983  17.736  8.3455  8.564037       12.87068  
1 1 1 13  4   0  o 601.632 9.9214  196512.91  6465.06  186723.09  9142.60  206304.30  9143.36  585.642 14.413  615.738 13.710  -30.09656      19.89254  
1 1 1 13  4   1  o 872.781 20.389  417043.09  19274.24 434334.91  27258.10 399751.69  27257.68 886.190 28.399  849.396 29.628  36.79395       41.04058  
1 1 1 13  4   2  o 183.888 3.6332  18319.10   723.621  18553.15   1023.49  18085.18   1023.22  185.025 5.1072  182.676 5.1715  2.350082       7.268286  
1 1 1 13  4   3  o 142.785 3.1221  11044.09   482.832  11170.18   686.575  10920.72   679.141  143.577 4.4150  141.965 4.4168  1.612381       6.245056  
1 1 1 13  4   4  o 222.365 4.1485  26792.41   999.150  27173.85   1413.79  26411.81   1412.23  223.882 5.8304  220.718 5.9074  3.164642       8.300056  
1 1 1 13  4   5  o 178.061 5.0310  17185.50   970.272  17277.49   1373.40  17093.84   1370.95  178.458 7.1054  177.506 7.1308  0.9520721      10.06654  
1 1 1 13  4   6  o 101.639 3.9271  5597.88    432.315  5081.25    619.051  6089.70    604.000  96.616  5.9446  105.984 5.2617  -9.368835      7.938721  
1 1 1 13  4   7  o 91.818  3.8026  4568.52    378.159  4237.16    542.698  4881.27    527.233  88.206  5.7112  94.743  5.1573  -6.537048      7.695158  
1 1 1 13  4   8  o 79.090  2.7098  3388.80    232.130  3829.70    340.405  3005.55    317.368  84.064  3.7387  74.363  3.9546  9.700706       5.442081  
1 1 1 13  4   9  o 94.576  3.1160  4846.60    319.192  4895.90    553.992  4822.10    390.529  94.849  5.4151  94.323  3.8227  0.5257797      6.628406  
1 1 1 13  4   10 o 179.266 4.0491  17421.28   786.194  18805.31   967.720  14734.33   1348.36  186.212 4.7981  164.654 7.5607  21.55826       8.954693  
1 1 1 13  4   11 o 115.591 3.4771  7242.03    435.319  7474.21    741.357  7119.85    537.797  117.340 5.8333  114.585 4.3333  2.754242       7.266679  
1 1 1 13  4   12 o 243.992 9.0065  32441.72   2380.14  32441.72   2380.14  0.0000     0.0000   243.992 9.0065  ?       ?       0.000000       9.006500  
1 1 1 13  4   13 o 196.201 7.7500  20952.90   1646.93  0.0000     0.0000   20952.90   1646.93  ?       ?       196.201 7.7500  0.000000       7.750040  
1 1 1 13  4   14 o 77.200  3.0534  3230.37    255.314  3489.84    362.826  2975.86    359.335  80.101  4.1967  73.922  4.5096  6.178665       6.160216  
1 1 1 13  4   15 o 82.133  3.2657  3657.17    290.507  3456.16    408.040  3863.80    413.697  79.654  4.7512  84.255  4.5502  -4.601295      6.578614  
1 1 1 13  4   16 o 284.303 5.0389  43904.55   1551.62  44151.71   2195.18  43657.77   2193.48  284.676 7.1195  283.071 7.1543  1.605164       10.09315  
1 1 1 13  4   17 o 334.344 5.8303  60819.52   2111.31  63287.20   2986.79  58354.98   2984.89  340.325 8.1029  326.673 8.4362  13.65259       11.69726  
1 1 1 13  4   18 o 126.573 3.1989  8691.12    438.537  8869.23    616.427  8508.59    624.013  127.759 4.4547  125.120 4.6046  2.638817       6.406809  
1 1 1 13  4   19 o 130.200 3.2995  9202.66    465.292  9363.34    654.852  9038.82    661.240  131.182 4.6089  128.871 4.7373  2.310425       6.609417  
1 1 1 13  4   20 o 47.260  4.3931  1226.88    222.298  1309.06    322.882  1152.82    306.511  48.486  6.2970  45.428  6.4074  3.057442       8.983707  
1 1 1 13  4   21 o 14.492  6.2807  -23.2951   182.084  382.396    273.570  -345.9571  243.975  26.422  8.4549  12.755  6.1191  13.66748       10.43688  
1 1 1 13  4   22 o 70.749  3.4471  2727.53    264.141  2708.85    367.810  2747.43    379.572  70.127  4.8727  70.597  4.9963  -0.4695892     6.979022  
1 1 1 13  4   23 o 38.335  5.1390  822.813    208.004  1294.71    301.989  396.852    286.915  48.023  5.9320  26.716  8.6701  21.30731       10.50520  
1 1 1 13  4   24 o 81.208  3.2744  3601.65    288.003  3401.61    408.996  3798.41    405.620  78.390  4.8408  82.961  4.5313  -4.570694      6.630692  
1 1 1 13  4   25 o 73.124  3.3770  2927.07    267.458  3036.65    379.954  2819.44    376.554  73.945  4.7695  71.186  4.9140  2.759048       6.848024  
1 1 1 13  4   26 o 22.586  7.1717  291.736    197.125  272.638    289.301  308.288    269.323  23.338  8.6348  23.860  8.3964  -0.5215282     12.04406  
1 1 1 13  4   27 o 19.789  7.4379  185.022    216.321  568.948    288.013  -311.8609  327.654  30.380  8.4470  15.622  7.3787  14.75787       11.21595  
1 1 1 13  4   28 f 20.008  7.7757  178.127    241.700  99.527     347.176  252.053    336.696  20.889  8.8538  23.220  9.1330  -2.331512      12.72012  
1 1 1 13  4   29 o 29.770  7.8961  570.435    258.772  581.750    361.817  558.588    370.247  29.296  9.7474  28.777  9.8604  0.5188465      13.86507  
1 1 1 13  4   30 o 15.401  6.9501  -43.6974   245.976  325.093    341.912  -439.3256  354.135  23.110  9.1672  14.559  7.0782  8.550264       11.58181  
1 1 1 13  4   31 o 35.623  7.2289  839.351    269.386  1300.07    374.159  343.485    388.166  43.416  8.2585  23.183  9.5583  20.23345       12.63184  
1 1 1 13  4   32 o 20.432  8.0900  265.005    265.826  153.903    369.097  384.738    383.167  19.748  8.7384  23.067  9.5018  -3.318649      12.90908  
1 1 1 13  4   33 o 13.888  6.5657  -151.5953  260.542  -407.2405  366.478  109.660    370.477  14.368  7.0318  18.850  8.5158  -4.481897      11.04377  
1 1 1 13  5   0  o 258.546 4.6669  36220.81   1306.89  35849.16   1848.66  36592.11   1847.78  257.142 6.6376  259.796 6.5667  -2.653992      9.337019  
1 1 1 13  5   1  o 131.718 2.9655  9397.92    423.076  9250.35    599.520  9544.32    597.127  130.664 4.2362  132.725 4.1538  -2.061188      5.932910  
1 1 1 13  5   2  o 275.585 4.9153  41157.08   1467.16  41864.05   2075.05  40450.35   2074.71  277.851 6.8952  273.113 7.0137  4.737885       9.835408  
1 1 1 13  5   3  o 125.132 2.9423  8481.78    398.765  8259.99    563.568  8704.15    564.311  123.468 4.2143  126.746 4.1107  -3.277779      5.887085  
1 1 1 13  5   4  o 225.877 4.8256  27651.00   1180.57  27952.18   1445.80  27048.39   2045.09  227.063 5.8788  223.229 8.4585  3.833878       10.30080  
1 1 1 13  5   5  o 238.109 6.2486  30746.12   1611.48  27774.24   2280.72  33708.99   2277.26  226.119 9.3125  249.177 8.4379  -23.05780      12.56662  
1 1 1 13  5   6  o 157.466 4.6818  13439.65   798.481  12398.03   1130.20  14477.69   1128.25  151.164 6.9030  163.373 6.3761  -12.20944      9.397098  
1 1 1 13  5   7  o 130.002 2.9602  9156.11    416.811  9594.35    590.346  8720.49    588.577  133.053 4.0965  126.845 4.2841  6.208397       5.927464  
1 1 1 13  5   8  o 189.495 4.2570  19464.22   873.729  21429.68   1514.70  18484.13   1069.62  198.674 7.0391  184.614 5.3493  14.06061       8.840980  
1 1 1 13  5   9  o 49.286  4.1351  1326.05    218.701  1386.39    300.004  1257.60    319.496  50.241  5.6088  47.719  6.3384  2.521999       8.463737  
1 1 1 13  5   10 o 268.866 5.4976  39222.24   1600.95  41038.54   1963.17  35616.34   2766.12  274.907 6.5933  255.654 9.9896  19.25284       11.96925  
1 1 1 13  5   11 o 148.846 3.2937  12007.38   530.999  12508.02   744.610  11489.32   757.447  151.866 4.5269  145.537 4.8052  6.328888       6.601677  
1 1 1 13  5   12 o 75.946  6.1230  3152.82    499.387  3152.82    499.387  0.0000     0.0000   75.946  6.1230  ?       ?       0.000000       6.123029  
1 1 1 13  5   13 o 46.772  8.2326  1226.20    401.825  0.0000     0.0000   1226.20    401.825  ?       ?       46.772  8.2326  0.000000       8.232582  
1 1 1 13  5   14 o 76.386  4.4277  3176.15    364.749  3433.61    506.918  2899.73    525.237  79.276  5.9471  72.713  6.7460  6.562225       8.993129  
1 1 1 13  5   15 o 309.765 5.4649  52123.81   1833.53  52618.00   2591.57  51628.53   2594.45  310.762 7.6995  307.806 7.7821  2.955872       10.94733  
1 1 1 13  5   16 o 148.704 3.3981  11991.72   547.305  12494.27   766.672  11469.47   781.556  151.695 4.6662  145.316 4.9657  6.379196       6.814066  
1 1 1 13  5   17 o 117.854 3.1934  7532.46    407.634  7359.12    566.510  7718.58    586.997  116.410 4.4931  119.215 4.5461  -2.805244      6.391771  
1 1 1 13  5   18 o 75.151  3.3322  3064.29    271.226  3574.82    382.665  2548.89    384.484  80.997  4.3782  68.247  5.2415  12.75044       6.829507  
1 1 1 13  5   19 o 123.241 3.2623  8244.88    435.460  8197.23    624.849  8289.89    607.197  122.728 4.7007  123.440 4.5416  -0.7119370     6.536237  
1 1 1 13  5   20 o 44.056  4.6331  1069.40    217.768  1215.52    319.472  942.572    297.627  46.648  6.4997  40.873  6.9733  5.775032       9.532707  
1 1 1 13  5   21 o 113.073 3.1104  6951.37    380.935  7443.49    546.677  6486.88    531.106  116.794 4.3216  108.996 4.4988  7.797447       6.238232  
1 1 1 13  5   22 o 77.404  2.6901  3256.96    225.527  3723.01    389.572  3022.03    276.587  82.386  4.3816  74.472  3.4290  7.914185       5.563847  
1 1 1 13  5   23 o 130.317 3.2379  9258.39    457.019  9655.12    646.450  8861.98    646.196  132.670 4.4988  127.031 4.6966  5.638702       6.503603  
1 1 1 13  5   24 o 55.834  3.8974  1716.58    234.212  1971.88    336.188  1475.81    326.477  59.472  5.2738  51.158  6.0064  8.314606       7.993135  
1 1 1 13  5   25 o 52.733  3.9660  1536.71    224.861  1793.80    312.589  1261.02    323.705  56.625  5.1532  46.911  6.5496  9.714355       8.333842  
1 1 1 13  5   26 o 30.419  6.4371  543.258    205.467  538.756    295.067  547.495    286.280  29.828  8.6370  30.069  8.4433  -0.2412300     12.07835  
1 1 1 13  5   27 o 55.868  2.4708  1705.08    149.512  1569.10    345.891  1736.33    165.802  52.078  6.2575  56.326  2.7178  -4.248150      6.822165  
1 1 1 13  5   28 o 25.910  8.0159  410.088    247.898  618.420    364.367  230.552    338.249  31.006  9.7389  22.850  9.1009  8.155815       13.32945  
1 1 1 13  5   29 o 20.247  7.8515  204.201    246.013  61.597     343.230  354.865    352.797  19.715  8.5838  24.624  9.4413  -4.908911      12.76006  
1 1 1 13  5   30 o 26.581  8.1559  481.818    257.235  541.705    355.720  416.174    372.426  27.335  9.6464  24.897  9.6587  2.438452       13.65077  
1 1 1 13  5   31 o 52.865  5.1407  1675.75    290.622  1519.32    403.862  1843.76    418.534  47.042  8.2260  52.739  7.5419  -5.696640      11.16003  
1 1 1 13  5   32 o 36.821  7.2589  921.740    279.203  1008.74    389.135  829.430    400.829  35.311  9.8187  31.065  10.256  4.246508       14.19823  
1 1 1 13  5   33 o 33.227  7.9174  804.319    280.883  1096.96    392.001  495.533    402.670  36.397  9.7484  24.199  9.8276  12.19787       13.84247  
1 1 1 13  6   0  f 334.670 5.7728  60708.80   2092.55  57758.67   2958.84  63660.82   2959.78  326.281 8.3726  342.576 7.9769  -16.29416      11.56419  
1 1 1 13  6   1  o 125.970 2.9578  8595.62    403.554  8511.76    572.070  8678.70    569.362  125.339 4.2140  126.563 4.1535  -1.224052      5.916843  
1 1 1 13  6   2  o 99.378  2.7204  5349.50    292.818  5450.62    417.012  5251.16    411.263  100.302 3.8385  98.450  3.8569  1.852501       5.441483  
1 1 1 13  6   3  o 577.955 11.141  181572.20  6974.21  188026.70  8541.69  168663.59  12079.51 587.644 13.420  554.705 20.106  32.93958       24.17307  
1 1 1 13  6   4  o 463.514 11.037  116811.30  5541.08  109059.40  7836.21  124563.40  7836.33  446.855 16.191  477.816 15.142  -30.96100      22.16802  
1 1 1 13  6   5  o 194.276 5.2996  20460.35   1115.14  18475.42   1574.86  22456.34   1579.24  184.500 7.8809  203.447 7.1668  -18.94724      10.65230  
1 1 1 13  6   6  o 81.616  3.0768  3608.71    271.985  3630.05    476.153  3598.37    331.366  81.645  5.4152  81.491  3.7543  0.1541367      6.589330  
1 1 1 13  6   7  o 308.935 6.2709  51778.00   2098.31  56744.24   3632.93  49291.90   2570.41  322.913 10.387  301.273 7.8772  21.64008       13.03630  
1 1 1 13  6   8  o 243.690 5.1330  32203.32   1354.81  31559.95   2345.78  32525.34   1659.59  240.908 8.9902  244.825 6.2586  -3.917084      10.95412  
1 1 1 13  6   9  o 330.195 6.6703  59194.87   2385.54  55924.76   2921.30  65740.25   4132.97  320.706 8.4101  347.219 10.990  -26.51321      13.83849  
1 1 1 13  6   10 o 230.571 4.3045  28824.01   1074.97  28818.98   1520.90  28829.02   1519.57  230.416 6.0942  230.457 6.0878  -0.4067993E-01 8.613979  
1 1 1 13  6   11 o 136.144 3.1372  10044.72   462.599  10133.70   653.845  9955.53    654.582  136.699 4.4161  135.490 4.4605  1.208939       6.276826  
1 1 1 13  6   12 o 317.855 6.4021  54888.70   2204.07  52514.91   2698.16  59649.61   3821.13  310.625 8.0198  330.419 10.677  -19.79385      13.35359  
1 1 1 13  6   13 o 213.931 8.1639  24925.20   1891.64  0.0000     0.0000   24925.20   1891.64  ?       ?       213.931 8.1639  0.000000       8.163854  
1 1 1 13  6   14 o 236.279 6.2186  30342.05   1591.42  30601.89   2248.76  30081.35   2252.47  236.871 8.7652  234.830 8.8559  2.040558       12.46018  
1 1 1 13  6   15 o 214.343 4.7162  24937.61   1094.88  25538.88   1343.15  23746.79   1890.23  216.795 5.7201  208.651 8.3642  8.143616       10.13307  
1 1 1 13  6   16 o 174.866 3.6352  16585.89   688.505  16410.88   966.753  16766.02   980.784  173.804 5.1355  175.673 5.1547  -1.868439      7.276271  
1 1 1 13  6   17 o 37.668  5.4463  787.359    215.750  637.112    281.650  1000.72    335.632  33.491  7.8936  42.182  7.6269  -8.691463      10.97626  
1 1 1 13  6   18 o 207.875 4.2129  23473.04   948.537  23631.02   1272.97  23275.82   1422.28  208.321 5.6418  206.598 6.3561  1.723206       8.498775  
1 1 1 13  6   19 o 120.543 3.1951  7887.28    417.160  7799.87    607.716  7965.16    573.662  119.715 4.6869  121.015 4.3767  -1.300049      6.412648  
1 1 1 13  6   20 o 156.456 3.4495  13304.45   584.552  13596.91   832.056  13019.43   821.409  157.884 4.8657  154.485 4.9091  3.399124       6.911912  
1 1 1 13  6   21 o 60.122  3.5575  1974.52    230.629  1952.80    337.145  1993.62    316.181  59.482  5.2883  60.185  4.8927  -0.7036552     7.204527  
1 1 1 13  6   22 o 44.105  4.3124  1073.66    203.372  832.736    301.322  1275.22    275.616  38.015  7.5840  47.866  5.4113  -9.850590      9.316631  
1 1 1 13  6   23 f 46.900  4.3119  1215.19    216.581  1230.52    313.150  1201.14    299.865  46.671  6.3606  46.163  6.1504  0.5081978      8.847865  
1 1 1 13  6   24 o 69.888  3.4678  2670.36    262.499  2723.76    380.729  2621.98    362.407  70.042  5.0526  68.765  4.8978  1.276375       7.036862  
1 1 1 13  6   25 o 31.362  6.0303  567.979    197.397  461.738    276.064  679.125    282.365  28.011  8.4188  33.804  7.8607  -5.793514      11.51811  
1 1 1 13  6   26 o 51.837  4.1804  1494.28    232.710  1401.44    334.965  1580.90    323.536  49.329  6.4217  52.728  5.7588  -3.399513      8.625611  
1 1 1 13  6   27 o 67.634  3.6491  2531.58    266.329  2315.52    380.035  2740.10    373.346  63.779  5.5570  69.743  4.9750  -5.964478      7.458603  
1 1 1 13  6   28 o 38.073  6.4716  859.601    257.321  917.450    371.402  806.197    356.849  37.867  9.1561  35.429  9.2130  2.438381       12.98902  
1 1 1 13  6   29 o 14.400  6.6126  -115.7906  235.266  -221.5896  336.305  -14.3897   329.241  16.253  7.6132  18.381  8.1869  -2.128059      11.17972  
1 1 1 13  6   30 o 19.302  7.9167  168.596    264.560  307.936    384.153  42.888     364.879  23.162  9.5244  19.249  8.5927  3.913044       12.82764  
1 1 1 13  6   31 o 24.224  8.3303  410.117    264.352  445.373    368.263  372.638    379.701  24.810  9.6102  23.594  9.5567  1.215393       13.55315  
1 1 1 13  6   32 o 19.510  7.9477  219.642    264.361  530.206    365.609  -120.6424  382.702  25.570  9.6568  17.071  8.0360  8.498400       12.56310  
1 1 1 13  6   33 o 14.208  6.6847  -129.9117  264.195  -164.8589  367.868  -92.6868   379.667  16.146  7.6821  16.969  7.9928  -0.8234749     11.08604  
1 1 1 13  7   0  o 460.734 7.7877  115142.60  3886.26  113979.20  5495.85  116306.00  5496.16  458.026 11.078  462.692 10.967  -4.666534      15.58877  
1 1 1 13  7   1  o 208.955 3.9742  23655.50   899.443  23938.33   1272.34  23372.97   1271.67  210.156 5.5897  207.658 5.6540  2.498535       7.950655  
1 1 1 13  7   2  o 463.372 9.0229  116550.00  4528.39  118484.90  5545.90  112679.30  7844.03  466.943 10.966  454.492 15.935  12.45096       19.34325  
1 1 1 13  7   3  o 95.509  3.8056  4942.23    393.673  5387.36    559.667  4506.31    553.853  99.562  5.2081  91.001  5.6471  8.561508       7.682052  
1 1 1 13  7   4  o 192.568 5.2902  20100.50   1103.38  18710.12   1558.39  21498.15   1562.45  185.690 7.7485  199.070 7.2466  -13.37943      10.60902  
1 1 1 13  7   5  o 243.182 5.1726  32056.95   1362.43  29346.47   2362.60  33407.38   1667.64  232.418 9.3854  248.199 6.2034  -15.78134      11.25025  
1 1 1 13  7   6  o 243.869 4.4662  32233.24   1179.68  33834.42   1669.68  30637.29   1666.95  249.762 6.1722  237.650 6.4761  12.11162       8.946259  
1 1 1 13  7   7  o 180.053 4.1854  17570.69   816.218  19283.54   1409.25  16706.06   1001.25  188.496 6.9027  175.526 5.2666  12.96948       8.682389  
1 1 1 13  7   8  o 223.053 5.8989  26992.19   1425.12  29932.89   2015.38  24051.19   2015.48  234.720 7.9275  210.315 8.8478  24.40446       11.87980  
1 1 1 13  7   9  o 129.462 3.4728  9082.89    486.959  9211.54    598.617  8831.22    837.268  130.353 4.2399  127.565 6.0598  2.787849       7.395850  
1 1 1 13  7   10 o 46.444  3.1062  1174.08    155.352  1359.81    226.463  1008.99    213.511  49.903  4.2297  42.882  4.6727  7.021088       6.302726  
1 1 1 13  7   11 o 111.973 2.8535  6793.85    346.066  7139.57    492.063  6455.49    486.802  114.756 3.9589  109.114 4.1191  5.641090       5.713132  
1 1 1 13  7   12 o 193.478 3.9069  20296.48   818.721  20713.64   1099.64  19777.59   1226.40  195.366 5.1967  190.840 5.9332  4.526398       7.887285  
1 1 1 13  7   13 o 248.627 5.2471  33554.81   1412.99  34461.11   1729.44  31735.24   2450.50  251.827 6.3407  241.174 9.3811  10.65343       11.32295  
1 1 1 13  7   14 o 191.680 7.5746  20003.68   1572.57  0.0000     0.0000   20003.68   1572.57  ?       ?       191.680 7.5746  0.000000       7.574629  
1 1 1 13  7   15 o 84.392  4.1845  3863.92    382.482  4074.74    549.804  3666.21    532.436  86.386  5.9117  81.903  6.0447  4.482346       8.455011  
1 1 1 13  7   16 o 116.493 3.1246  7357.85    394.249  7313.04    556.395  7403.04    558.716  116.069 4.4258  116.782 4.4172  -0.7125931     6.252967  
1 1 1 13  7   17 o 197.557 3.9101  21181.46   836.669  21128.97   1180.44  21234.44   1186.03  197.102 5.5295  197.591 5.5419  -0.4894257     7.828660  
1 1 1 13  7   18 f 183.813 3.7365  18342.02   743.906  17988.03   1052.62  18695.23   1051.47  181.801 5.3457  185.359 5.2374  -3.557678      7.483742  
1 1 1 13  7   19 o 35.412  5.6129  700.459    208.102  716.446    296.318  684.901    292.323  35.438  7.9193  34.637  7.9591  0.8013039      11.22779  
1 1 1 13  7   20 o 63.774  3.4520  2217.05    237.557  2537.85    344.726  1926.93    327.823  68.066  4.7049  59.188  5.1654  8.877495       6.986974  
1 1 1 13  7   21 o 38.732  4.7633  832.039    195.611  834.325    293.235  830.206    262.569  38.217  7.3511  38.301  6.5656  -0.8450317E-01 9.856303  
1 1 1 13  7   22 o 64.786  3.5141  2294.54    245.662  2705.42    369.547  1969.19    328.840  70.069  4.9003  59.671  5.1381  10.39719       7.100194  
1 1 1 13  7   23 o 114.319 3.1320  7122.24    387.799  7896.38    560.890  6413.25    536.767  120.033 4.3143  108.091 4.5848  11.94125       6.295531  
1 1 1 13  7   24 o 61.748  3.5563  2092.35    236.836  2086.54    331.237  2098.43    338.762  61.261  5.0367  61.404  5.1410  -0.1423302     7.197100  
1 1 1 13  7   25 f 54.340  3.8730  1630.06    226.457  1641.55    315.606  1617.87    325.123  54.031  5.4683  53.555  5.6923  0.4762726      7.893333  
1 1 1 13  7   26 o 22.865  1.7016  285.645    41.837   113.223    288.475  289.349    42.284   20.136  8.2637  23.012  1.7087  -2.876381      8.438464  
1 1 1 13  7   27 o 74.317  3.4779  3043.18    279.946  3047.75    400.650  3038.81    391.322  73.518  5.0624  73.475  4.9460  0.4228973E-01  7.077529  
1 1 1 13  7   28 o 36.353  6.6673  789.480    252.847  986.781    361.460  600.430    353.822  39.594  8.6690  30.594  9.5949  9.000122       12.93113  
1 1 1 13  7   29 o 20.385  7.8750  210.960    246.763  15.861     358.075  387.414    340.535  19.405  8.5956  25.121  9.3536  -5.716438      12.70333  
1 1 1 13  7   30 o 31.464  7.7316  660.888    261.601  726.997    371.015  595.525    368.912  31.204  9.8315  28.379  9.8361  2.825195       13.90713  
1 1 1 13  7   31 o 64.175  4.4773  2409.01    309.255  2586.94    436.562  2229.79    438.148  64.178  6.3643  58.702  7.0311  5.475853       9.483757  
1 1 1 13  7   32 o 22.239  8.2788  350.189    266.743  478.115    376.868  221.767    377.596  24.561  9.6618  20.677  9.0029  3.883989       13.20620  
1 1 1 13  7   33 o 40.029  6.9038  1085.04    288.505  1395.96    401.358  752.622    414.998  42.673  8.9687  28.482  10.373  14.19035       13.71292  
1 1 1 13  8   0  o 580.458 9.6771  182924.30  6083.92  178092.80  8603.92  187756.00  8604.02  571.981 13.888  587.372 13.524  -15.39087      19.38530  
1 1 1 13  8   1  o 228.561 4.2215  28304.76   1045.06  27934.30   1478.51  28674.64   1477.37  227.003 6.0134  229.994 5.9306  -2.991577      8.445946  
1 1 1 13  8   2  f 146.561 4.4962  11639.48   713.738  12245.38   1010.49  11036.24   1008.26  150.288 6.2078  142.666 6.5250  7.621063       9.006294  
1 1 1 13  8   3  o 377.823 9.1498  77506.61   3744.29  76515.88   5295.72  78496.98   5294.72  374.901 13.042  379.749 12.873  -4.847900      18.32485  
1 1 1 13  8   4  o 477.140 11.208  123808.30  5792.15  133950.91  8193.44  113676.10  8189.23  495.414 15.270  456.069 16.578  39.34525       22.53893  
1 1 1 13  8   5  o 173.470 3.5011  16303.61   657.814  17057.01   932.608  15557.65   927.988  177.396 4.8538  169.414 5.0574  7.982391       7.009744  
1 1 1 13  8   6  o 226.007 4.8487  27688.63   1186.91  28522.54   2053.46  27270.26   1454.48  229.175 8.2727  224.236 5.9887  4.938309       10.21287  
1 1 1 13  8   7  o 187.363 4.2374  19026.93   859.905  19563.49   1488.43  18758.13   1053.51  189.836 7.2390  185.995 5.2296  3.841049       8.930398  
1 1 1 13  8   8  o 152.656 3.7588  12629.64   621.483  12502.79   761.427  12882.80   1075.68  151.859 4.6293  154.068 6.4461  -2.209641      7.936198  
1 1 1 13  8   9  o 315.650 5.5131  54052.23   1884.83  56043.28   2666.07  52062.73   2665.03  321.148 7.6647  309.494 7.9502  11.65479       11.04327  
1 1 1 13  8   10 o 382.924 6.5735  79626.53   2726.32  78475.20   3856.08  80777.30   3855.13  379.608 9.3787  385.167 9.2410  -5.558899      13.16646  
1 1 1 13  8   11 o 36.047  3.4865  710.872    134.423  821.997    191.270  602.420    188.956  38.651  4.6632  32.876  5.5010  5.775146       7.211519  
1 1 1 13  8   12 o 233.841 4.3130  29656.46   1092.37  30108.91   1544.09  29203.12   1545.60  235.451 6.0548  231.871 6.1543  3.579742       8.633464  
1 1 1 13  8   13 o 197.482 4.5007  21156.49   962.672  20615.39   1176.80  22251.08   1673.74  194.850 5.5761  202.197 7.6426  -7.347321      9.460626  
1 1 1 13  8   14 o 43.789  5.6775  1058.83    262.932  0.0000     0.0000   1058.83    262.932  ?       ?       43.789  5.6775  0.000000       5.677476  
1 1 1 13  8   15 o 164.853 4.9342  14754.88   881.014  14490.94   1242.41  15021.85   1249.51  163.160 7.0304  166.132 6.9441  -2.972336      9.881656  
1 1 1 13  8   16 o 169.403 5.0256  15588.57   922.106  15264.21   1304.11  15912.88   1303.99  167.364 7.1942  170.906 7.0445  -3.541077      10.06883  
1 1 1 13  8   17 o 252.338 4.6241  34587.52   1263.81  33581.76   1786.36  35595.39   1788.22  248.244 6.6439  255.622 6.4588  -7.377899      9.265941  
1 1 1 13  8   18 o 162.139 3.5288  14267.97   619.708  13835.64   872.077  14708.97   880.788  159.481 5.0486  164.452 4.9449  -4.971237      7.066910  
1 1 1 13  8   19 o 130.304 3.2444  9217.48    457.897  9386.88    649.446  9050.03    645.698  131.340 4.5654  128.954 4.6230  2.386017       6.497305  
1 1 1 13  8   20 o 64.717  3.5283  2283.65    246.382  2221.85    342.716  2349.76    354.454  63.611  5.0149  65.423  5.0410  -1.811592      7.110655  
1 1 1 13  8   21 o 57.378  2.3981  1787.21    149.030  1966.87    329.159  1740.89    167.143  59.722  5.1387  56.609  2.7260  3.112202       5.817003  
1 1 1 13  8   22 o 143.587 3.3488  11232.36   520.796  11582.36   737.188  10883.63   735.846  145.393 4.6813  140.889 4.8221  4.503738       6.720689  
1 1 1 13  8   23 o 60.368  3.5158  1996.05    228.889  2127.46    326.477  1869.03    320.991  62.010  4.9008  58.030  5.1610  3.980885       7.117142  
1 1 1 13  8   24 o 55.674  2.1857  1685.03    131.803  1295.25    327.350  1760.45    143.990  47.712  6.5040  56.891  2.3368  -9.178970      6.910999  
1 1 1 13  8   25 o 72.285  2.7198  2849.95    212.937  3129.68    381.987  2723.83    256.485  75.075  4.7217  70.536  3.3572  4.538658       5.793610  
1 1 1 13  8   26 o 62.180  3.7289  2135.77    249.971  2232.32    357.008  2042.92    350.119  62.963  5.2839  60.150  5.4328  2.813408       7.578592  
1 1 1 13  8   27 o 50.457  4.3177  1425.33    233.692  1531.46    335.251  1325.01    325.927  51.495  6.1314  47.685  6.4783  3.810059       8.919789  
1 1 1 13  8   28 o 13.020  6.1718  -243.3219  233.181  -190.2373  340.050  -290.4388  320.366  17.025  7.8654  15.458  7.2996  1.566998       10.73072  
1 1 1 13  8   29 o 27.472  7.9903  488.199    252.034  486.918    365.355  489.362    348.128  27.198  9.7570  27.225  9.5483  -0.2671432E-01 13.65167  
1 1 1 13  8   30 f 17.190  7.3896  69.453     247.981  -240.9066  358.225  355.033    343.627  16.192  7.6680  23.649  9.2490  -7.457571      12.01426  
1 1 1 13  8   31 o 32.865  8.0300  749.532    283.404  788.575    413.291  714.879    389.365  31.070  10.419  29.914  10.112  1.155640       14.51950  
1 1 1 13  8   32 o 26.399  7.8993  504.773    243.443  336.489    378.171  623.857    318.123  22.271  9.3289  28.106  9.1298  -5.835627      13.05305  
1 1 1 13  8   33 f 29.556  1.5750  480.266    50.238   -17.8690   377.587  489.243    50.689   17.617  8.1907  29.832  1.5743  -12.21475      8.340599  
1 1 1 13  9   0  o 389.231 6.6377  82144.47   2798.32  84091.23   3957.85  80198.55   3957.01  393.590 9.2842  384.351 9.5054  9.239594       13.28716  
1 1 1 13  9   1  o 432.672 10.351  101688.40  4850.93  101830.70  6860.46  101546.10  6860.04  432.321 14.651  431.713 14.671  0.6081238      20.73406  
1 1 1 13  9   2  o 453.225 10.809  111625.70  5306.13  112369.20  7504.24  110882.30  7503.76  453.958 15.262  450.923 15.364  3.034058       21.65626  
1 1 1 13  9   3  o 243.719 6.2785  32207.32   1657.34  33709.80   2346.11  30710.65   2341.57  249.197 8.6923  237.827 9.0902  11.37006       12.57728  
1 1 1 13  9   4  o 491.073 8.1670  130892.00  4343.90  143633.00  6144.30  118160.00  6142.11  513.940 11.038  465.938 12.171  48.00217       16.43064  
1 1 1 13  9   5  o 217.285 4.6294  25588.44   1089.49  23525.47   1884.26  26624.51   1335.33  208.155 8.3576  221.601 5.5635  -13.44588      10.04005  
1 1 1 13  9   6  o 170.510 4.0360  15755.63   745.372  15736.68   1288.09  15765.17   913.932  170.293 6.9836  170.533 4.9481  -0.2400665     8.558854  
1 1 1 13  9   7  o 290.056 5.8985  45636.44   1853.06  47431.09   2270.74  42058.55   3206.21  295.597 7.0924  277.944 10.650  17.65375       12.79582  
1 1 1 13  9   8  o 98.109  3.1944  5215.48    339.442  5149.41    418.031  5343.37    581.581  97.472  3.9597  99.105  5.4388  -1.633705      6.727545  
1 1 1 13  9   9  o 96.455  2.7697  5040.59    289.350  5041.00    410.474  5040.19    407.943  96.437  3.9298  96.430  3.9059  0.7202148E-02  5.540695  
1 1 1 13  9   10 f 161.699 3.3998  14170.21   595.422  14829.64   845.113  13520.23   839.029  165.362 4.7186  157.883 4.9065  7.478256       6.807230  
1 1 1 13  9   11 o 109.955 2.8739  6551.37    342.258  6845.41    488.016  6266.76    480.131  112.364 4.0099  107.507 4.1234  4.857574       5.751672  
1 1 1 13  9   12 o 229.258 4.2675  28504.66   1059.67  28709.79   1499.25  28299.89   1497.95  229.918 6.0205  228.267 6.0588  1.651352       8.541381  
1 1 1 13  9   13 o 186.796 4.1517  18924.15   839.972  20801.83   1038.49  15371.59   1428.45  195.787 4.8972  168.034 7.8487  27.75388       9.251199  
1 1 1 13  9   14 o 110.618 3.5671  6634.55    427.381  6707.74    744.377  6598.56    521.990  110.919 6.2212  110.285 4.3699  0.6341934      7.602611  
1 1 1 13  9   15 o 268.590 6.8621  39260.87   1996.26  38437.43   2820.83  40087.00   2825.43  265.075 9.8251  270.755 9.6347  -5.680328      13.76086  
1 1 1 13  9   16 o 485.794 11.639  129905.10  6124.30  135578.09  8662.72  124236.40  8659.41  492.532 16.239  470.798 16.982  21.73410       23.49625  
1 1 1 13  9   17 o 351.728 7.0704  67476.13   2693.53  66203.46   3300.12  70015.77   4661.85  347.735 8.7622  355.860 12.095  -8.125793      14.93541  
1 1 1 13  9   18 o 53.717  4.0505  1576.04    233.927  1670.78    330.531  1480.97    331.114  55.109  5.6160  51.786  6.0153  3.322941       8.229481  
1 1 1 13  9   19 o 39.518  5.0659  864.509    211.840  980.302    290.447  732.901    309.647  41.833  6.6315  35.813  8.1642  6.020088       10.51812  
1 1 1 13  9   20 o 157.385 3.4354  13464.18   585.620  13688.61   829.152  13240.78   827.235  158.404 4.8328  155.775 4.9030  2.629318       6.884406  
1 1 1 13  9   21 o 157.503 3.4370  13502.00   586.321  14262.00   832.338  12753.41   826.065  161.506 4.7582  152.650 4.9963  8.855179       6.899504  
1 1 1 13  9   22 o 77.413  3.1861  3263.19    267.146  3257.53    383.160  3268.54    372.661  76.982  4.6167  77.146  4.4793  -0.1635666     6.432545  
1 1 1 13  9   23 o 90.298  3.2060  4445.44    313.553  4503.28    444.876  4388.33    442.000  90.467  4.5548  89.292  4.5857  1.174423       6.463370  
1 1 1 13  9   24 o 26.085  6.6085  395.751    186.925  335.156    261.286  459.276    267.530  24.730  8.2843  28.058  8.2528  -3.327726      11.69353  
1 1 1 13  9   25 o 19.077  6.9202  176.025    184.427  159.387    310.988  185.051    229.053  21.672  8.6941  20.319  7.6504  1.352333       11.58085  
1 1 1 13  9   26 f 32.988  6.0471  631.939    208.093  503.760    298.101  753.763    290.618  28.913  8.7615  35.441  7.7838  -6.527710      11.71970  
1 1 1 13  9   27 o 14.912  6.4605  -5.7955    192.516  -73.0684   276.207  57.764     268.475  16.686  7.4602  18.471  7.8049  -1.784874      10.79687  
1 1 1 13  9   28 o 25.052  7.6423  381.902    226.258  39.573     301.852  820.872    341.815  18.876  8.1337  35.904  8.8470  -17.02844      12.01778  
1 1 1 13  9   29 o 20.644  8.0067  217.605    255.869  132.202    386.520  284.225    341.377  21.428  9.2189  23.123  9.1640  -1.694998      12.99871  
1 1 1 13  9   30 o 28.172  7.9789  538.358    254.514  470.310    368.780  600.250    351.701  25.881  9.7146  28.615  9.6112  -2.733465      13.66560  
1 1 1 13  9   31 o 42.356  6.3647  1134.44    282.962  829.768    398.633  1443.85    401.722  32.170  10.197  45.540  8.4558  -13.36926      13.24670  
1 1 1 13  9   32 f 20.626  8.1292  276.098    267.260  99.731     379.226  450.133    376.711  19.187  8.6468  24.052  9.5966  -4.864414      12.91749  
1 1 1 13  9   33 o 29.272  9.1490  698.894    322.010  619.663    537.093  743.355    402.340  25.331  10.882  28.523  10.238  -3.191757      14.94106  
1 1 1 13  10  0  o 179.210 5.0721  17405.08   984.516  16692.62   1392.24  18117.71   1392.40  175.435 7.3270  182.781 7.0333  -7.346085      10.15640  
1 1 1 13  10  1  o 243.339 6.3057  32103.89   1661.94  32116.12   2351.42  32091.69   2349.26  243.246 8.9251  243.153 8.9203  0.9225464E-01  12.61864  
1 1 1 13  10  2  o 331.136 8.0894  59498.47   2901.30  62850.07   4104.92  56152.95   4101.21  340.035 11.146  321.338 11.784  18.69708       16.21982  
1 1 1 13  10  3  o 171.997 3.4726  16026.96   646.919  17277.85   916.771  14786.33   913.005  178.554 4.7405  165.169 5.1036  13.38431       6.965516  
1 1 1 13  10  4  o 566.603 10.946  174577.00  6717.46  175963.70  11632.23 173883.09  8228.16  566.526 18.957  564.885 13.448  1.640930       23.24295  
1 1 1 13  10  5  o 133.893 3.5152  9713.17    509.771  9137.45    877.340  10006.61   626.351  129.799 6.2406  135.886 4.2557  -6.086548      7.553540  
1 1 1 13  10  6  o 222.741 5.8458  26907.20   1410.32  29122.62   1995.13  24694.59   1993.86  231.587 7.9540  213.205 8.6343  18.38245       11.73958  
1 1 1 13  10  7  o 205.679 4.5517  22932.34   1013.99  22710.71   1242.96  23373.29   1753.26  204.631 5.6081  207.449 7.8031  -2.818634      9.609287  
1 1 1 13  10  8  f 58.310  2.7845  1842.08    175.861  1857.28    245.770  1826.14    251.747  58.408  3.9075  57.903  4.0394  0.5045052      5.620100  
1 1 1 13  10  9  o 208.089 3.9912  23471.72   899.550  23853.45   1274.21  23092.45   1270.11  209.679 5.6107  206.302 5.6842  3.376831       7.986850  
1 1 1 13  10  10 o 215.293 4.0651  25128.44   947.931  25742.57   1341.19  24515.44   1339.96  217.797 5.6855  212.531 5.8210  5.265259       8.136914  
1 1 1 13  10  11 f 269.161 4.8675  39301.43   1419.02  38825.40   2007.07  39777.19   2006.53  267.290 6.9328  270.558 6.8472  -3.267944      9.744151  
1 1 1 13  10  12 o 252.148 4.5880  34488.63   1252.99  36132.36   1774.08  32852.60   1769.91  257.889 6.3514  245.869 6.6463  12.02011       9.193092  
1 1 1 13  10  13 o 272.916 4.8792  40419.28   1442.28  37706.44   2038.69  43137.43   2040.69  263.289 7.1491  281.690 6.6886  -18.40063      9.790132  
1 1 1 13  10  14 f 114.239 4.5969  7081.67    568.784  6150.43    818.005  7953.35    791.417  106.075 7.1618  120.979 6.0398  -14.90389      9.368627  
1 1 1 13  10  15 o 235.227 4.3844  30025.91   1117.04  30207.79   1577.88  29843.17   1581.59  235.702 6.1807  234.267 6.2332  1.434891       8.778053  
1 1 1 13  10  16 f 90.269  4.4244  4423.33    432.572  4458.49    633.152  4392.55    592.380  90.270  6.5197  89.648  6.1378  0.6213684      8.954238  
1 1 1 13  10  17 o 249.803 6.5345  34002.74   1767.99  34475.20   2499.99  33530.03   2500.65  250.776 9.2041  247.271 9.3370  3.505066       13.11093  
1 1 1 13  10  18 o 97.535  3.2309  5161.52    341.313  4916.93    488.924  5394.03    476.688  95.093  4.7470  99.626  4.4176  -4.533714      6.484588  
1 1 1 13  10  19 o 110.138 3.1429  6584.78    374.922  6526.83    539.786  6638.79    521.143  109.512 4.5508  110.470 4.3556  -0.9581451     6.299287  
1 1 1 13  10  20 o 28.174  5.9819  450.966    176.901  225.074    293.614  579.693    221.646  23.121  8.6703  31.920  6.6278  -8.798891      10.91335  
1 1 1 13  10  21 o 63.454  3.4020  2197.61    232.960  2441.11    333.613  1965.88    325.450  66.671  4.6491  59.709  5.0807  6.961304       6.886709  
1 1 1 13  10  22 o 100.700 3.0744  5519.83    335.322  5683.43    482.128  5366.54    466.685  101.915 4.3677  99.038  4.3506  2.877960       6.164799  
1 1 1 13  10  23 o 119.503 3.0996  7782.99    401.194  8437.37    568.439  7133.50    566.315  124.089 4.2294  113.982 4.5873  10.10744       6.239449  
1 1 1 13  10  24 o 29.527  6.2009  503.760    191.999  396.801    281.074  597.329    262.892  26.499  8.5796  31.852  7.7043  -5.352739      11.53107  
1 1 1 13  10  25 o 31.189  6.1260  563.285    199.557  626.936    288.229  504.681    276.566  32.366  8.2096  29.132  8.3405  3.233601       11.70306  
1 1 1 13  10  26 o 18.047  7.2187  108.737    213.712  9.0338     290.058  227.135    316.084  18.432  7.9577  22.856  8.8894  -4.423937      11.93091  
1 1 1 13  10  27 o 20.305  7.2950  214.521    204.311  194.082    285.362  236.017    292.655  21.404  8.4114  22.390  8.5956  -0.9857559     12.02647  
1 1 1 13  10  28 o 27.401  7.4162  461.701    225.474  521.848    298.937  382.328    343.404  28.769  8.7862  25.753  9.4276  3.016863       12.88707  
1 1 1 13  10  29 o 40.921  6.4005  1015.94    274.382  1383.69    379.490  613.104    397.184  46.778  7.7622  29.654  10.210  17.12387       12.82574  
1 1 1 13  10  30 o 14.938  6.8137  -73.7258   244.251  154.791    351.549  -286.9799  339.606  20.490  8.8029  15.344  7.3229  5.145459       11.45058  
1 1 1 13  10  31 o 30.570  8.0648  654.137    270.890  810.715    386.393  502.792    379.882  31.973  10.027  25.795  9.8191  6.177273       14.03395  
1 1 1 13  10  32 o 23.698  8.5806  418.175    283.350  151.475    416.640  647.673    386.491  20.198  9.0865  27.549  10.014  -7.350744      13.52217  
1 1 1 13  10  33 o 26.681  9.4304  601.066    340.102  638.416    536.064  575.904    439.994  25.553  10.921  25.229  10.263  0.3232784      14.98645  
1 1 1 13  11  0  o 161.891 6.7859  14211.92   1189.88  0.0000     0.0000   14211.92   1189.88  ?       ?       161.891 6.7859  0.000000       6.785931  
1 1 1 13  11  1  o 211.243 8.0431  24211.76   1840.24  0.0000     0.0000   24211.76   1840.24  ?       ?       211.243 8.0431  0.000000       8.043060  
1 1 1 13  11  2  o 266.892 5.5287  38611.48   1598.19  39223.24   2765.54  38304.74   1958.29  268.752 9.5007  265.766 6.8031  2.986786       11.68531  
1 1 1 13  11  3  f 320.929 6.4375  55852.52   2237.65  60649.18   3873.47  53450.00   2741.35  334.029 10.706  313.830 8.0649  20.19864       13.40416  
1 1 1 13  11  4  o 292.121 5.9633  46270.91   1886.77  47647.94   3264.60  45580.25   2312.01  296.083 10.180  289.838 7.3649  6.245270       12.56475  
1 1 1 13  11  5  o 323.811 7.9714  56923.05   2795.75  57063.59   3953.12  56782.42   3954.47  323.816 11.271  323.012 11.303  0.8032227      15.96251  
1 1 1 13  11  6  o 95.384  3.0695  4929.14    317.113  5023.22    391.197  4748.84    541.546  96.281  3.7513  93.430  5.3742  2.850471       6.553952  
1 1 1 13  11  7  o 30.779  3.8749  521.519    126.313  534.174    158.645  499.605    208.770  31.014  4.8844  29.758  6.6453  1.255899       8.247311  
1 1 1 13  11  8  o 112.304 2.8871  6833.21    351.172  6812.97    497.783  6853.27    495.489  112.112 4.0994  112.443 4.0685  -0.3318481     5.775581  
1 1 1 13  11  9  o 139.053 3.1580  10477.55   475.631  10523.80   673.751  10431.60   671.541  139.319 4.4650  138.707 4.4700  0.6117706      6.317962  
1 1 1 13  11  10 o 55.317  2.8967  1662.58    172.948  1748.36    258.549  1593.11    232.664  56.627  4.2464  54.062  4.0019  2.565201       5.835003  
1 1 1 13  11  11 o 189.431 3.7615  19453.22   771.763  19114.84   1093.20  19789.42   1089.68  187.676 5.3780  190.967 5.2683  -3.291046      7.528489  
1 1 1 13  11  12 o 104.580 2.8528  5926.80    323.145  6415.05    457.145  5439.19    456.847  108.772 3.8803  100.147 4.2117  8.625114       5.726724  
1 1 1 13  11  13 o 36.421  3.8195  727.138    148.427  684.107    197.187  783.391    225.457  35.099  5.3566  37.555  5.7237  -2.455757      7.839266  
1 1 1 13  11  14 o 122.202 3.4717  8096.35    459.501  8068.99    563.981  8150.36    792.490  121.960 4.2695  122.472 5.9743  -0.5125046     7.343092  
1 1 1 13  11  15 o 72.605  3.9311  2867.84    307.982  2411.23    530.068  3100.54    378.409  66.106  7.5380  75.436  4.6542  -9.329994      8.859076  
1 1 1 13  11  16 o 66.831  4.3495  2434.56    313.118  2380.87    577.694  2456.90    372.596  65.515  8.3295  67.048  5.1707  -1.533676      9.803944  
1 1 1 13  11  17 o 77.646  4.8270  3288.64    403.935  3609.91    568.100  2960.15    574.454  81.135  6.5197  73.287  7.3355  7.848541       9.814087  
1 1 1 13  11  18 o 67.619  4.6162  2497.26    336.064  2452.20    496.660  2535.31    456.419  66.640  6.9849  67.894  6.2778  -1.254738      9.391460  
1 1 1 13  11  19 o 142.335 3.2580  10999.78   502.267  11663.32   712.193  10343.21   708.447  146.396 4.4916  137.823 4.7459  8.572708       6.534332  
1 1 1 13  11  20 o 38.311  1.8213  795.722    75.574   988.185    279.269  780.514    78.503   41.992  6.3375  37.893  1.9190  4.099548       6.621630  
1 1 1 13  11  21 o 12.587  5.7185  -100.1583  169.920  26.620     224.821  -269.0634  259.499  17.061  7.1722  14.117  6.6366  2.944142       9.771643  
1 1 1 13  11  22 o 66.068  3.2844  2377.87    235.022  2420.14    332.266  2335.55    332.477  66.298  4.6567  65.102  4.7479  1.196243       6.650371  
1 1 1 13  11  23 o 66.478  3.4092  2418.01    244.646  2412.45    357.053  2422.93    335.882  66.007  5.0322  66.241  4.7123  -0.2333527     6.894104  
1 1 1 13  11  24 o 44.020  4.2538  1074.23    200.286  1310.55    287.058  850.065    279.585  48.287  5.5922  38.333  6.9916  9.954224       8.952896  
1 1 1 13  11  25 o 23.253  7.1206  310.254    196.186  713.118    273.201  -118.6745  281.900  34.743  7.4813  16.480  7.4384  18.26297       10.54981  
1 1 1 13  11  26 f 35.462  5.7879  724.534    214.636  583.460    297.621  877.420    309.830  30.948  8.5803  38.313  7.7330  -7.364119      11.55074  
1 1 1 13  11  27 f 57.145  4.1120  1820.68    252.804  2145.85    348.983  1461.63    366.715  61.505  5.2902  49.830  6.9867  11.67527       8.763579  
1 1 1 13  11  28 o 49.333  4.7009  1381.06    248.145  1445.00    335.983  1304.33    368.067  49.541  6.4120  46.310  7.6019  3.231190       9.944969  
1 1 1 13  11  29 o 16.140  7.1107  -5.2128    241.819  -84.5656   348.263  68.665     336.033  17.911  8.1566  19.553  8.5034  -1.642063      11.78296  
1 1 1 13  11  30 o 39.516  6.4343  974.614    265.909  791.405    382.157  1146.57    370.233  32.459  9.9378  40.871  8.6342  -8.411663      13.16470  
1 1 1 13  11  31 o 35.118  7.3299  822.452    269.793  1293.53    389.286  387.058    374.250  42.709  8.7106  23.751  9.5342  18.95834       12.91418  
1 1 1 13  11  32 o 40.725  6.7821  1098.14    288.633  860.966    406.327  1339.71    410.077  31.478  10.323  41.827  9.2934  -10.34858      13.88975  
1 1 1 13  11  33 f 46.001  7.0723  1441.94    341.089  2024.85    574.914  1125.31    423.717  47.292  11.365  35.839  10.342  11.45306       15.36625  
1 1 1 13  12  0  o 194.525 7.6040  20526.70   1602.10  0.0000     0.0000   20526.70   1602.10  ?       ?       194.525 7.6040  0.000000       7.604027  
1 1 1 13  12  1  o 219.448 4.7423  26097.38   1127.19  25779.46   1948.24  26257.36   1381.97  217.959 8.2527  220.083 5.7975  -2.124268      10.08556  
1 1 1 13  12  2  o 292.048 5.9078  46240.41   1868.74  46734.25   3234.03  45992.86   2289.69  293.289 10.181  291.184 7.2600  2.104523       12.50423  
1 1 1 13  12  3  o 37.809  3.8127  782.391    154.001  978.914    246.785  657.055    197.083  42.133  5.5424  34.391  5.4745  7.741894       7.790308  
1 1 1 13  12  4  o 329.705 8.0813  59007.21   2885.86  60885.77   4081.72  57129.58   4080.72  334.544 11.265  324.013 11.628  10.53171       16.18962  
1 1 1 13  12  5  o 455.409 8.9763  112673.40  4427.60  112282.90  5423.42  113453.80  7666.73  454.254 11.023  455.547 15.538  -1.292145      19.05128  
1 1 1 13  12  6  o 503.294 9.8707  137764.50  5380.73  137988.00  6590.54  137317.80  9318.22  503.165 12.093  500.313 17.196  2.851990       21.02233  
1 1 1 13  12  7  o 399.824 6.8459  86771.93   2964.62  82718.49   4191.96  90827.86   4193.25  389.879 9.9270  408.631 9.4743  -18.75226      13.72255  
1 1 1 13  12  8  o 237.713 4.3632  30633.68   1123.38  30990.64   1589.41  30277.36   1587.99  238.972 6.1407  236.201 6.2072  2.771393       8.731451  
1 1 1 13  12  9  o 329.586 5.7535  58943.84   2053.84  60189.27   2905.41  57699.84   2903.74  332.732 8.0620  325.752 8.2300  6.980194       11.52080  
1 1 1 13  12  10 o 337.453 5.8927  61811.45   2153.75  61528.80   3046.28  62093.95   3045.45  336.288 8.3635  337.836 8.3229  -1.548492      11.79913  
1 1 1 13  12  11 o 220.605 4.1910  26389.57   1001.40  27075.25   1416.44  25704.36   1415.96  223.316 5.8561  217.575 6.0086  5.741409       8.390263  
1 1 1 13  12  12 o 251.430 4.5454  34291.93   1237.81  36736.02   1751.39  31852.64   1749.68  260.048 6.2181  242.091 6.6728  17.95711       9.120936  
1 1 1 13  12  13 o 105.565 2.8795  6039.46    329.240  6242.66    463.535  5832.57    467.723  107.291 3.9889  103.701 4.1643  3.590332       5.766465  
1 1 1 13  12  14 o 170.455 4.0377  15759.11   745.442  15987.54   913.668  15304.31   1289.19  171.622 4.9152  167.707 7.0974  3.915344       8.633217  
1 1 1 13  12  15 o 72.796  3.4649  2873.55    273.191  2764.47    490.243  2922.68    329.010  71.000  6.4453  73.277  4.1626  -2.276985      7.672605  
1 1 1 13  12  16 o 275.509 5.0046  41233.65   1493.40  38848.07   2113.15  43613.97   2110.82  266.955 7.3084  282.960 6.8874  -16.00516      10.04239  
1 1 1 13  12  17 o 233.923 6.2496  29805.90   1583.43  28702.04   2244.11  30900.37   2234.54  228.826 9.0546  237.542 8.6852  -8.715744      12.54662  
1 1 1 13  12  18 o 113.914 4.2825  7051.38    528.381  7341.42    765.760  6787.79    730.009  115.869 6.1235  111.411 6.0725  4.457977       8.623971  
1 1 1 13  12  19 o 154.838 3.4973  13022.91   586.508  13528.55   807.089  12457.08   853.774  157.618 4.7277  151.157 5.2149  6.460678       7.038868  
1 1 1 13  12  20 o 66.350  3.2790  2392.60    235.644  2540.59    334.584  2246.96    331.933  68.108  4.5620  63.989  4.8248  4.119297       6.640053  
1 1 1 13  12  21 o 105.352 3.0805  6036.01    351.501  6324.15    499.765  5753.94    494.472  107.625 4.2873  102.627 4.4485  4.998360       6.178143  
1 1 1 13  12  22 o 59.048  3.4236  1906.73    218.012  1833.93    305.864  1981.92    310.828  57.598  4.9510  59.922  4.8303  -2.323299      6.916908  
1 1 1 13  12  23 o 55.060  3.7508  1664.76    222.351  1707.69    328.573  1628.49    302.007  55.322  5.5588  54.107  5.2181  1.215069       7.624185  
1 1 1 13  12  24 o 51.213  3.8952  1445.93    214.446  1565.83    300.517  1321.54    306.105  52.918  5.3150  48.369  5.9697  4.549538       7.992887  
1 1 1 13  12  25 o 43.985  4.6660  1081.64    218.895  988.458    304.363  1181.47    315.041  41.208  7.0741  45.319  6.6131  -4.110226      9.683764  
1 1 1 13  12  26 f 73.246  3.4929  2948.66    277.105  2969.95    383.312  2925.34    401.061  72.852  4.8861  72.165  5.1653  0.6871414      7.110153  
1 1 1 13  12  27 f 27.989  7.3738  474.302    226.660  439.516    325.444  507.069    315.862  27.188  9.2449  28.734  9.0734  -1.545343      12.95356  
1 1 1 13  12  28 o 25.609  7.5484  402.184    223.600  462.349    296.578  322.944    340.362  27.246  8.8122  24.498  9.3018  2.747564       12.81315  
1 1 1 13  12  29 o 35.261  6.9384  774.834    255.554  717.801    365.806  829.205    357.165  32.039  9.7048  34.767  9.3024  -2.727348      13.44315  
1 1 1 13  12  30 o 19.170  7.7465  176.233    248.850  202.413    358.442  151.875    345.754  21.256  9.0020  20.336  8.7333  0.9195747      12.54222  
1 1 1 13  12  31 o 15.377  7.0363  -62.6712   263.158  238.049    398.934  -294.3320  350.143  21.687  9.3480  15.272  7.3279  6.415239       11.87782  
1 1 1 13  12  32 o 30.104  1.6963  498.766    55.085   596.794    422.619  497.072    55.559   26.257  10.260  30.048  1.7142  -3.791225      10.40252  
1 1 1 13  12  33 o 26.014  9.8733  594.967    383.374  1090.57    554.728  141.821    530.433  31.443  11.890  20.720  9.6580  10.72317       15.31843  
1 1 1 13  13  0  o 377.440 12.936  77533.59   5288.36  0.0000     0.0000   77533.59   5288.36  ?       ?       377.440 12.936  0.000000       12.93611  
1 1 1 13  13  1  o 280.890 5.7582  42771.30   1751.83  41894.39   3030.34  43211.45   2146.93  277.706 10.075  282.262 7.0226  -4.556061      12.28079  
1 1 1 13  13  2  o 187.733 5.1853  19102.72   1054.35  19742.79   1491.55  18463.46   1490.61  190.775 7.2184  184.480 7.4601  6.295074       10.38070  
1 1 1 13  13  3  o 116.788 4.0254  7390.53    509.190  7361.74    718.755  7419.54    721.458  116.528 5.6948  116.985 5.6939  -0.4565506     8.053049  
1 1 1 13  13  4  o 44.198  3.3127  1064.29    157.432  1117.39    204.299  986.677    247.020  45.212  4.2208  42.303  5.5230  2.909031       6.951189  
1 1 1 13  13  5  o 353.428 7.1149  67784.03   2723.58  68530.72   3336.61  66293.16   4714.76  355.193 8.6730  348.782 12.481  6.410980       15.19823  
1 1 1 13  13  6  o 330.701 5.7747  59314.28   2068.40  57401.40   2924.91  61227.80   2925.40  325.065 8.3075  335.757 8.0443  -10.69199      11.56402  
1 1 1 13  13  7  o 220.135 4.1220  26265.70   982.809  26710.13   1390.37  25821.86   1389.43  221.898 5.7850  218.171 5.8799  3.726944       8.248634  
1 1 1 13  13  8  o 178.128 3.5909  17195.45   692.797  17605.08   981.392  16788.53   978.142  180.175 5.0290  175.942 5.1329  4.233154       7.185888  
1 1 1 13  13  9  o 18.330  5.0313  187.878    102.919  144.742    147.191  229.141    143.960  17.549  6.2038  20.423  6.0662  -2.874397      8.676735  
1 1 1 13  13  10 o 45.320  3.1089  1118.24    151.682  1277.26    228.778  993.509    202.617  48.332  4.4192  42.571  4.4606  5.760452       6.279019  
1 1 1 13  13  11 o 316.788 5.5554  54471.16   1906.12  55262.90   2696.18  53680.04   2695.14  318.728 7.8101  314.110 7.9219  4.618011       11.12452  
1 1 1 13  13  12 o 278.652 4.9865  42134.34   1504.96  41772.07   2129.17  42496.04   2127.49  277.168 7.0925  279.570 7.0260  -2.402130      9.983377  
1 1 1 13  13  13 o 265.641 4.7786  38291.46   1374.89  38106.24   1944.78  38476.52   1943.99  264.729 6.7827  266.017 6.7471  -1.288666      9.566989  
1 1 1 13  13  14 o 97.630  3.4129  5167.58    360.895  5193.94    449.397  5119.69    605.640  97.849  4.2404  96.903  5.7970  0.9459610      7.182371  
1 1 1 13  13  15 f 127.867 3.5478  8866.49    491.347  8370.75    848.179  9116.88    602.794  123.894 6.3420  129.618 4.2937  -5.724228      7.658751  
1 1 1 13  13  16 o 63.023  3.5748  2161.32    243.012  2271.97    350.039  2058.38    337.638  64.473  5.0531  61.339  5.1292  3.133831       7.200207  
1 1 1 13  13  17 o 126.162 3.2369  8633.38    442.310  8838.10    620.600  8422.03    630.560  127.556 4.4920  124.502 4.6761  3.054451       6.484117  
1 1 1 13  13  18 o 111.554 4.3442  6763.26    524.883  7147.15    748.138  6391.13    736.592  114.326 6.0635  108.046 6.3219  6.279976       8.759675  
1 1 1 13  13  19 o 105.178 4.2025  6017.66    478.743  6600.19    695.942  5494.37    659.608  109.766 5.8751  100.071 6.1150  9.694756       8.479993  
1 1 1 13  13  20 o 54.836  3.6957  1643.30    218.219  1765.06    296.422  1499.23    322.432  56.657  4.8780  52.004  5.8244  4.653107       7.597246  
1 1 1 13  13  21 f 96.165  3.0151  5028.64    314.042  5279.63    440.664  4769.61    447.663  98.359  4.1364  93.436  4.4235  4.922775       6.056193  
1 1 1 13  13  22 o 83.946  3.0274  3835.85    275.256  4030.40    387.115  3636.91    391.463  85.853  4.1631  81.379  4.4582  4.473518       6.099749  
1 1 1 13  13  23 o 41.297  4.5780  947.667    201.320  1258.18    271.150  566.211    300.531  47.453  5.3702  31.067  8.6254  16.38625       10.16049  
1 1 1 13  13  24 o 56.197  3.9147  1739.92    236.792  1835.69    354.853  1663.04    317.931  57.162  5.8124  54.499  5.4595  2.662872       7.974343  
1 1 1 13  13  25 o 44.810  4.6588  1122.29    222.804  1019.94    306.815  1236.48    324.079  41.890  7.0100  46.358  6.6444  -4.468021      9.658623  
1 1 1 13  13  26 o 38.857  5.6534  865.109    230.950  1021.56    303.538  650.020    355.903  41.747  6.9580  32.420  9.5139  9.326702       11.78677  
1 1 1 13  13  27 o 37.765  5.6002  822.777    222.129  977.543    305.798  649.897    323.199  40.469  7.2424  32.228  8.9437  8.241615       11.50834  
1 1 1 13  13  28 o 45.070  4.9269  1160.61    236.595  1251.72    324.563  1057.30    345.621  45.843  6.7376  41.314  8.0129  4.528992       10.46908  
1 1 1 13  13  29 o 34.387  7.1151  743.940    256.263  740.000    370.678  747.548    354.674  32.424  9.7576  32.804  9.4607  -0.3805923     13.59100  
1 1 1 13  13  30 o 38.796  1.6472  822.448    69.217   456.705    368.912  835.793    70.468   25.572  9.6901  39.106  1.6637  -13.53451      9.831881  
1 1 1 13  13  31 o 18.227  7.7432  127.002    266.525  81.479     366.822  177.908    387.907  19.281  8.6106  20.766  9.0811  -1.485109      12.51438  
1 1 1 13  13  32 o 13.604  6.4672  -190.1304  259.634  -146.8096  369.115  -232.5538  365.272  16.541  7.8183  15.755  7.5398  0.7853785      10.86161  
1 1 1 13  13  33 o 33.681  10.096  984.223    397.431  789.595    528.725  1237.04    602.596  27.531  11.230  32.577  12.375  -5.046017      16.71105  
1 1 1 13  14  0  o 432.735 8.5166  101634.80  3991.70  101529.90  4889.84  101844.40  6910.90  432.272 10.444  432.227 14.762  0.4479980E-01  18.08319  
1 1 1 13  14  1  o 234.211 5.1307  29731.25   1301.53  28392.00   1595.28  32397.29   2250.81  228.821 6.4368  244.311 8.5060  -15.48961      10.66699  
1 1 1 13  14  2  o 507.908 9.9363  140156.30  5466.14  141165.41  6695.67  138140.00  9464.68  509.329 12.137  502.573 17.387  6.756165       21.20475  
1 1 1 13  14  3  o 296.084 6.0731  47536.38   1947.59  46972.98   2386.24  48660.48   3370.64  294.226 7.4880  299.194 10.401  -4.968079      12.81629  
1 1 1 13  14  4  o 365.721 7.2824  72578.05   2884.67  72776.08   3534.16  72182.78   4993.10  366.039 8.9143  363.992 12.665  2.046539       15.48772  
1 1 1 13  14  5  o 317.643 5.5175  54709.68   1898.23  54119.88   2684.29  55299.69   2684.73  315.723 7.8497  319.154 7.7666  -3.431366      11.04254  
1 1 1 13  14  6  o 389.881 6.8489  82496.92   2892.18  80747.83   4089.94  84246.38   4090.37  385.293 9.8007  393.587 9.5951  -8.294098      13.71567  
1 1 1 13  14  7  o 374.696 6.4834  76195.84   2631.18  79060.61   3721.36  73331.98   3720.76  381.294 9.0110  367.161 9.3563  14.13306       12.98991  
1 1 1 13  14  8  o 337.230 5.9489  61709.77   2172.88  58357.82   3072.62  65063.03   3073.22  327.580 8.6601  345.962 8.2015  -18.38239      11.92736  
1 1 1 13  14  9  o 60.435  2.7320  1978.86    178.829  2516.25    259.762  1494.72    246.559  68.046  3.5367  52.322  4.3914  15.72468       5.638521  
1 1 1 13  14  10 o 178.529 3.5874  17275.80   693.681  17209.01   982.484  17342.20   979.548  178.104 5.0931  178.794 5.0583  -0.6900330     7.178155  
1 1 1 13  14  11 o 57.587  2.7690  1796.93    172.707  2082.74    246.457  1521.17    242.090  61.873  3.6945  52.791  4.2705  9.082279       5.646836  
1 1 1 13  14  12 o 20.515  5.3000  237.031    118.601  96.343     176.345  353.223    160.260  17.057  6.6382  25.004  5.9952  -7.946611      8.944756  
1 1 1 13  14  13 o 185.284 3.6381  18613.37   730.106  19541.53   1035.31  17695.12   1029.76  189.746 5.0377  180.540 5.2661  9.205338       7.287683  
1 1 1 13  14  14 o 224.715 4.2028  27393.41   1022.92  26430.14   1444.52  28362.34   1448.75  220.527 6.0477  228.471 5.8545  -7.944077      8.417235  
1 1 1 13  14  15 o 150.276 3.7913  12249.18   617.091  12761.49   1062.29  11988.25   758.123  153.162 6.4036  148.603 4.7102  4.559265       7.949337  
1 1 1 13  14  16 o 184.436 3.6571  18452.66   730.554  18913.04   1037.73  18000.29   1028.65  186.571 5.1353  182.003 5.2182  4.567413       7.321270  
1 1 1 13  14  17 o 189.525 3.7586  19494.36   771.556  19860.34   1090.22  19127.15   1092.07  191.098 5.2673  187.521 5.3769  3.577194       7.526976  
1 1 1 13  14  18 o 62.067  4.1824  2102.69    279.521  2018.54    460.117  2151.91    351.900  60.339  7.1815  62.656  5.2334  -2.317009      8.886097  
1 1 1 13  14  19 o 79.781  4.2781  3473.10    368.324  3458.55    510.275  3488.94    532.194  79.329  5.9829  79.632  6.2197  -0.3032761     8.630197  
1 1 1 13  14  20 o 34.421  6.8297  674.006    245.633  791.652    331.802  531.347    365.377  37.069  8.4518  30.938  9.7575  6.130507       12.90899  
1 1 1 13  14  21 o 70.721  3.1596  2720.93    242.018  2872.74    339.185  2563.48    345.432  72.393  4.3459  68.300  4.6981  4.093742       6.399946  
1 1 1 13  14  22 o 40.952  4.2687  927.189    186.558  1141.30    262.615  709.062    265.068  45.213  5.4743  35.070  7.2190  10.14315       9.059907  
1 1 1 13  14  23 o 19.219  6.6822  187.223    170.325  115.160    232.624  270.503    250.073  18.984  7.5517  23.016  8.0915  -4.032288      11.06798  
1 1 1 13  14  24 o 24.044  6.9245  333.557    190.124  290.269    268.500  377.088    269.252  23.695  8.3787  25.868  8.3992  -2.173206      11.86374  
1 1 1 13  14  25 o 7.8421  2.9287  25.330     33.435   24.667     296.813  25.338     33.649   18.984  8.1205  7.8572  2.9374  11.12703       8.635423  
1 1 1 13  14  26 o 15.490  2.4125  133.923    39.158   -399.8860  299.733  143.193    39.496   14.031  6.7447  16.041  2.3423  -2.010613      7.139894  
1 1 1 13  14  27 o 20.824  7.4471  229.035    212.688  62.224     296.429  406.028    305.341  19.271  8.1754  26.269  8.9547  -6.997496      12.12539  
1 1 1 13  14  28 f 18.227  7.1927  135.034    209.474  341.380    285.053  -107.2153  308.858  24.252  8.6270  17.014  7.7223  7.237812       11.57835  
1 1 1 13  14  29 o 17.685  7.5152  76.700     251.216  -33.8877   386.808  157.374    330.375  19.235  8.6944  20.656  8.6893  -1.421083      12.29212  
1 1 1 13  14  30 o 16.915  7.3154  57.453     245.979  315.094    353.612  -184.1005  342.394  22.959  9.2494  16.298  7.6496  6.660267       12.00283  
1 1 1 13  14  31 o 16.216  7.1935  21.206     251.664  266.369    362.509  -206.8752  349.651  21.697  9.1134  15.964  7.5646  5.733049       11.84385  
1 1 1 13  14  32 o 22.248  8.2286  353.699    262.678  320.201    378.736  384.749    364.630  21.953  9.2730  22.895  9.3312  -0.9420471     13.15520  
1 1 1 13  14  33 o 19.561  8.5972  184.588    351.552  258.608    456.949  77.233     550.306  21.288  9.5511  20.414  9.6178  0.8734398      13.55450  
1 1 1 13  15  0  o 648.978 13.749  229434.91  9664.09  232082.20  12631.89 225698.41  15007.18 651.381 17.905  640.905 21.619  10.47589       28.07050  
1 1 1 13  15  1  o 134.355 3.4567  9779.52    503.019  9914.67    618.300  9514.98    865.047  135.268 4.2202  132.474 6.0289  2.794022       7.359220  
1 1 1 13  15  2  o 90.670  3.0750  4453.59    301.986  4269.93    374.929  4792.79    509.537  88.773  3.8994  93.901  5.0282  -5.128288      6.363055  
1 1 1 13  15  3  o 194.950 4.4013  20596.14   929.346  20049.18   1139.67  21681.70   1605.56  192.308 5.4716  199.895 7.4158  -7.587006      9.215858  
1 1 1 13  15  4  o 185.729 3.6494  18690.63   734.128  18802.22   1038.01  18578.95   1038.42  186.236 5.1460  185.125 5.1789  1.110245       7.300826  
1 1 1 13  15  5  o 255.489 4.6286  35381.70   1280.84  36570.99   1810.46  34190.00   1812.30  259.637 6.4380  251.027 6.6656  8.610062       9.267037  
1 1 1 13  15  6  o 223.940 4.1474  27180.25   1005.95  26378.42   1422.35  27982.73   1422.92  220.518 5.9551  227.135 5.7840  -6.617538      8.301692  
1 1 1 13  15  7  o 215.972 4.0485  25281.63   947.032  24504.56   1339.51  26058.21   1339.10  212.530 5.8191  219.176 5.6409  -6.645584      8.104441  
1 1 1 13  15  8  o 467.111 7.8801  118579.70  3986.79  120174.30  5638.71  116985.80  5637.63  469.433 11.090  463.120 11.239  6.312775       15.78952  
1 1 1 13  15  9  o 359.121 6.2634  70012.69   2436.25  71510.34   3445.83  68515.83   3444.91  362.518 8.7759  354.810 8.9642  7.708008       12.54488  
1 1 1 13  15  10 o 213.218 4.0764  24648.34   941.402  24644.06   1333.02  24652.61   1329.67  213.076 5.7761  213.114 5.7605  -0.3828430E-01 8.157614  
1 1 1 13  15  11 o 219.572 4.1343  26142.81   983.211  27322.54   1391.60  24966.89   1389.35  224.338 5.7272  214.425 5.9822  9.912903       8.281770  
1 1 1 13  15  12 o 128.553 3.0415  8956.45    423.487  9478.41    604.669  8453.94    593.297  132.199 4.2230  124.844 4.3877  7.355835       6.089760  
1 1 1 13  15  13 o 88.063  2.8017  4202.69    267.226  4759.97    388.913  3704.27    367.800  93.691  3.8325  82.643  4.1090  11.04823       5.618908  
1 1 1 13  15  14 o 111.128 2.9362  6693.52    353.410  6720.24    493.350  6665.36    506.504  111.305 4.0923  110.844 4.2189  0.4611130      5.877597  
1 1 1 13  15  15 o 251.232 5.2118  34285.01   1418.17  36058.30   1739.17  30766.00   2449.98  257.480 6.2363  237.150 9.5382  20.32941       11.39604  
1 1 1 13  15  16 o 228.711 4.2663  28393.45   1056.85  28246.34   1495.41  28540.25   1493.81  227.850 6.0596  229.039 6.0216  -1.188995      8.542740  
1 1 1 13  15  17 o 305.964 5.4009  50925.64   1789.80  51527.05   2532.60  50325.60   2529.72  307.084 7.6145  303.454 7.6968  3.630615       10.82685  
1 1 1 13  15  18 o 152.620 3.4654  12644.32   572.844  13122.00   786.530  12104.68   835.978  155.326 4.6752  149.111 5.1762  6.214890       6.975038  
1 1 1 13  15  19 o 129.958 4.4452  9194.16    625.700  9436.53    878.667  8944.82    891.213  131.342 6.1766  127.655 6.4669  3.686928       8.942675  
1 1 1 13  15  20 o 160.132 4.8315  14001.46   837.976  14467.44   1187.69  13539.57   1182.48  162.139 6.7631  156.778 6.9637  5.360748       9.707347  
1 1 1 13  15  21 o 16.488  6.3380  101.604    159.243  99.394     224.334  103.849    226.084  18.513  7.3993  18.664  7.4383  -0.1503963     10.49183  
1 1 1 13  15  22 o 83.339  3.1449  3782.56    283.877  3548.58    401.618  4016.18    401.306  80.328  4.6358  85.550  4.3453  -5.221893      6.353902  
1 1 1 13  15  23 f 41.224  4.4045  942.902    193.617  1106.75    263.376  750.230    285.604  44.396  5.6019  35.885  7.5855  8.511536       9.429844  
1 1 1 13  15  24 o 61.573  3.6831  2083.71    244.498  2141.47    335.754  2018.49    356.744  62.034  5.0407  60.045  5.5482  1.989136       7.496096  
1 1 1 13  15  25 o 26.603  1.5220  385.420    43.673   322.949    270.205  387.096    44.254   24.351  8.4193  26.659  1.5392  -2.307724      8.558799  
1 1 1 13  15  26 o 8.5994  3.1498  32.650     38.340   95.457     271.447  31.371     38.729   19.337  7.9849  8.5451  3.1598  10.79155       8.587326  
1 1 1 13  15  27 o ?       ?       -136.8214  36.002   218.570    275.019  -143.0176  36.314   21.682  8.3306  ?       ?       0.000000       8.330552  
1 1 1 13  15  28 o 25.129  7.6223  387.430    225.540  624.831    293.331  44.105     352.752  31.350  8.4481  20.076  8.7214  11.27357       12.14220  
1 1 1 13  15  29 o 31.803  7.4968  651.243    254.022  813.630    366.914  501.763    352.031  34.031  9.5597  27.158  9.5949  6.873003       13.54437  
1 1 1 13  15  30 o 50.101  5.1944  1493.03    277.781  1435.42    396.456  1548.59    389.324  46.245  8.2162  48.688  7.6338  -2.442783      11.21524  
1 1 1 13  15  31 o 29.500  7.9962  611.696    261.883  593.478    373.701  629.276    367.104  27.418  9.8644  28.217  9.8102  -0.7984219     13.91211  
1 1 1 13  15  32 f 16.726  7.3662  65.831     259.254  -93.7180   361.768  234.275    371.717  16.854  7.8950  20.685  8.9695  -3.831919      11.94919  
1 1 1 13  16  0  o 379.091 7.5897  77970.75   3116.31  77038.34   3817.76  79832.40   5394.54  376.637 9.3587  382.905 13.007  -6.268402      16.02436  
1 1 1 13  16  1  o 385.580 7.7471  80673.30   3235.36  79449.23   3963.68  83117.09   5600.48  382.445 9.5688  390.635 13.237  -8.190277      16.33329  
1 1 1 13  16  2  o 373.701 6.4650  75737.98   2616.75  75927.26   3700.74  75548.72   3700.55  373.899 9.1383  372.963 9.1608  0.9358215      12.93938  
1 1 1 13  16  3  o 309.482 5.4916  51926.73   1840.78  52312.46   2602.49  51540.55   2604.03  310.460 7.7395  308.155 7.8020  2.304535       10.98958  
1 1 1 13  16  4  o 317.779 5.4977  54753.52   1892.25  53894.58   2675.10  55613.69   2677.00  315.082 7.8387  320.079 7.7219  -4.997284      11.00332  
1 1 1 13  16  5  o 81.379  2.5548  3587.49    225.184  3377.63    317.115  3800.95    319.820  78.951  3.7084  83.755  3.5255  -4.803894      5.116830  
1 1 1 13  16  6  o 646.172 10.570  227334.50  7397.55  235277.30  10461.93 219392.41  10461.52 655.712 14.731  632.951 15.260  22.76141       21.21004  
1 1 1 13  16  7  o 563.885 9.4137  173004.50  5749.40  175755.50  8130.98  170253.70  8130.79  567.055 13.239  558.026 13.453  9.029602       18.87428  
1 1 1 13  16  8  o 488.375 8.2722  129674.80  4375.65  133562.41  6188.71  125788.80  6187.48  494.719 11.550  479.993 11.902  14.72601       16.58452  
1 1 1 13  16  9  o 467.188 7.7868  118653.20  3940.20  124509.70  5573.14  112800.30  5571.44  477.750 10.770  454.559 11.316  23.19064       15.62244  
1 1 1 13  16  10 o 400.683 6.8830  87232.85   2987.09  85873.83   4224.85  88591.28   4223.93  396.868 9.8287  403.141 9.6736  -6.272858      13.79065  
1 1 1 13  16  11 o 303.431 5.3597  49970.50   1761.46  51014.84   2491.62  48927.07   2490.54  306.262 7.5114  299.902 7.6673  6.359375       10.73354  
1 1 1 13  16  12 o 166.090 3.4763  14954.13   625.354  15289.42   884.570  14619.12   884.197  167.861 4.8653  164.133 4.9737  3.728104       6.957676  
1 1 1 13  16  13 o 34.579  3.8148  656.269    140.497  689.499    210.582  629.611    188.613  35.181  5.7231  33.640  5.3561  1.540825       7.838474  
1 1 1 13  16  14 o 34.629  4.3750  660.947    160.431  887.418    219.703  402.243    234.818  40.097  5.1800  26.862  7.6834  13.23435       9.266493  
1 1 1 13  16  15 o 222.475 4.8258  26875.09   1162.85  28227.29   1424.99  24179.79   2011.84  227.874 5.7736  210.376 8.8293  17.49873       10.54949  
1 1 1 13  16  16 o 26.779  6.3524  406.048    181.468  235.723    305.159  499.233    225.714  23.772  8.8538  29.676  7.1146  -5.904730      11.35814  
1 1 1 13  16  17 o 65.292  3.0540  2312.09    215.978  2390.23    310.124  2238.50    300.960  66.195  4.3497  64.049  4.3644  2.146378       6.161840  
1 1 1 13  16  18 o 100.274 2.8559  5454.22    310.167  5009.08    473.047  5789.91    410.795  95.974  4.5507  103.258 3.6731  -7.284569      5.848145  
1 1 1 13  16  19 o 125.136 3.1106  8502.46    421.603  8599.93    597.399  8405.73    595.080  125.689 4.3883  124.257 4.4217  1.432159       6.229639  
1 1 1 13  16  20 o 18.349  7.0322  127.381    195.673  260.668    286.480  10.822     267.900  23.715  8.6215  18.267  7.7616  5.448076       11.60060  
1 1 1 13  16  21 o 82.756  4.2741  3750.57    381.798  4033.45    523.766  3429.83    557.720  85.469  5.6904  78.512  6.6204  6.957573       8.729856  
1 1 1 13  16  22 o 35.963  5.3887  726.978    203.433  855.062    297.573  614.591    278.744  38.537  7.3983  32.474  7.9816  6.063236       10.88306  
1 1 1 13  16  23 o 16.804  6.5295  102.825    170.416  53.364     228.499  164.819    255.817  17.578  7.2978  20.659  8.0078  -3.081011      10.83431  
1 1 1 13  16  24 o 76.121  3.3335  3167.57    274.840  3189.50    386.055  3145.03    391.365  75.891  4.7200  75.322  4.8225  0.5692825      6.747994  
1 1 1 13  16  25 o 34.823  1.2711  657.796    47.943   447.687    271.981  664.534    48.706   27.551  8.3734  35.000  1.2848  -7.449286      8.471353  
1 1 1 13  16  26 o 39.872  5.2262  903.954    220.260  955.188    302.249  845.935    321.645  40.203  7.2060  37.364  8.1751  2.838829       10.89765  
1 1 1 13  16  27 o 40.909  5.1979  955.807    225.116  847.669    308.534  1078.91    329.195  37.300  7.8837  42.445  7.4315  -5.145031      10.83419  
1 1 1 13  16  28 o ?       ?       -220.9902  36.194   45.373     277.508  -225.5997  36.506   18.241  7.8285  ?       ?       0.000000       7.828535  
1 1 1 13  16  29 f 15.819  7.1534  -61.3778   262.142  192.198    420.970  -221.9837  335.025  22.459  9.6405  16.031  7.5379  6.427553       12.23759  
1 1 1 13  16  30 o 20.829  7.9401  255.824    248.626  317.647    354.534  195.999    348.758  22.988  9.2614  20.982  8.8826  2.005436       12.83253  
1 1 1 13  16  31 o 22.337  2.1318  277.445    50.948   537.085    354.666  271.974    51.482   26.380  9.5925  22.101  2.1790  4.279583       9.836877  
1 1 1 13  16  32 o 30.697  8.6991  720.174    302.449  1054.80    467.345  479.033    396.731  33.652  11.072  24.351  9.8018  9.301115       14.78763  
1 1 1 13  17  0  o 251.390 4.6379  34248.89   1262.83  35158.29   1785.50  33338.65   1786.32  254.620 6.4744  247.934 6.6520  6.686081       9.282588  
1 1 1 13  17  1  o 412.892 7.1115  92482.77   3180.30  91492.15   4497.48  93473.52   4497.78  410.314 10.120  414.749 10.013  -4.434387      14.23607  
1 1 1 13  17  2  o 370.011 6.3854  74250.23   2559.01  74593.80   3619.10  73906.70   3618.88  370.599 9.0162  368.884 9.0576  1.715729       12.78019  
1 1 1 13  17  3  o 218.948 4.3645  25979.76   1035.01  26966.10   1568.70  25219.39   1377.34  222.968 6.4957  215.656 5.8967  7.311890       8.773000  
1 1 1 13  17  4  o 511.315 8.8441  142038.41  4897.92  140806.20  6926.47  143270.80  6926.95  508.261 12.582  512.719 12.474  -4.457336      17.71727  
1 1 1 13  17  5  o 306.214 5.5290  50849.17   1833.76  49148.95   2593.03  52550.18   2593.62  300.831 7.9582  311.094 7.6974  -10.26337      11.07172  
1 1 1 13  17  6  o 505.070 8.4828  138637.59  4640.47  143937.80  6562.57  133337.30  6562.65  513.788 11.793  494.372 12.256  19.41595       17.00840  
1 1 1 13  17  7  o 194.134 3.9740  20427.47   835.594  18896.97   1257.39  21637.95   1118.23  186.605 6.2212  199.744 5.1688  -13.13986      8.088263  
1 1 1 13  17  8  o 192.246 3.6733  20030.77   764.859  20255.88   1082.51  19806.36   1080.84  193.248 5.1719  191.089 5.2222  2.159241       7.349807  
1 1 1 13  17  9  o 205.994 3.8996  23002.44   870.050  23722.66   1232.09  22286.05   1228.79  209.098 5.4403  202.656 5.5982  6.441513       7.806185  
1 1 1 13  17  10 o 209.299 3.9836  23750.00   903.062  24471.76   1278.69  23031.78   1275.56  212.343 5.5598  205.988 5.7173  6.355042       7.974864  
1 1 1 13  17  11 o 231.288 4.3122  29011.44   1080.23  28972.84   1529.04  29049.91   1526.33  230.967 6.1122  231.276 6.0932  -0.3090515     8.630559  
1 1 1 13  17  12 o 337.701 5.8893  61938.06   2154.10  63269.50   3047.42  60608.46   3045.31  340.838 8.2549  333.554 8.4294  7.284821       11.79823  
1 1 1 13  17  13 o 183.722 3.6267  18301.27   721.688  19627.69   1023.33  16988.82   1017.93  190.165 4.9684  176.891 5.3130  13.27301       7.274143  
1 1 1 13  17  14 o 62.041  2.9914  2086.37    201.012  1663.32    287.041  2493.48    281.584  55.143  4.8555  67.695  3.8564  -12.55214      6.200631  
1 1 1 13  17  15 o 84.568  3.3509  3878.08    306.932  4111.96    377.211  3419.84    528.009  87.057  4.0005  79.049  6.2172  8.008209       7.393056  
1 1 1 13  17  16 o 250.380 5.2453  34072.76   1422.45  30594.68   2461.65  35816.29   1742.90  236.252 9.6201  256.507 6.2734  -20.25468      11.48484  
1 1 1 13  17  17 o 64.916  3.0769  2285.66    216.339  2583.74    301.197  1967.99    310.936  68.862  4.0562  59.978  4.8273  8.884129       6.305180  
1 1 1 13  17  18 o 39.062  2.0408  829.288    86.045   1104.04    236.195  787.245    92.394   44.768  4.9542  38.041  2.2525  6.727654       5.442207  
1 1 1 13  17  19 o 27.045  1.1824  396.266    34.637   119.806    258.877  401.306    34.951   20.072  7.9721  27.217  1.1857  -7.144737      8.059788  
1 1 1 13  17  20 o 88.096  4.0322  4228.41    384.743  4461.81    549.408  4003.80    538.961  90.062  5.6611  85.244  5.8733  4.817863       8.157442  
1 1 1 13  17  21 o 83.605  4.1171  3816.11    372.810  3934.82    524.052  3694.48    530.473  84.381  5.7686  81.672  6.0397  2.708969       8.351914  
1 1 1 13  17  22 o 51.421  4.0587  1454.34    224.205  1885.22    305.083  948.370    330.599  58.406  4.8670  40.509  7.8182  17.89771       9.209356  
1 1 1 13  17  23 o 26.689  6.8591  413.657    199.355  315.409    267.770  535.834    298.603  24.384  8.3840  30.236  8.6693  -5.851971      12.06022  
1 1 1 13  17  24 o 37.891  1.4448  778.932    59.294   583.604    320.787  785.842    60.334   31.316  8.9875  38.058  1.4637  -6.741838      9.105874  
1 1 1 13  17  25 o 20.161  7.3449  198.454    208.077  363.177    299.703  45.167     289.113  25.643  8.8669  19.074  8.0818  6.568859       11.99739  
1 1 1 13  17  26 o 16.796  6.9957  55.130     210.946  165.412    307.317  -43.1243   290.074  21.456  8.6303  17.618  7.7737  3.838522       11.61517  
1 1 1 13  17  27 o 17.180  6.9753  89.706     202.796  157.083    274.745  9.0582     300.588  20.418  8.1786  18.548  8.0542  1.869905       11.47868  
1 1 1 13  17  28 o 12.432  5.8392  -178.9470  200.092  -190.8729  271.569  -164.7840  295.947  14.858  6.9207  15.913  7.3469  -1.055043      10.09324  
1 1 1 13  17  29 o 33.834  6.6716  714.467    235.796  530.547    312.338  958.202    359.558  27.808  9.0471  37.424  8.9842  -9.616087      12.75015  
1 1 1 13  17  30 f 15.121  6.8151  -39.2704   235.661  -62.4858   327.683  -14.3999   339.163  17.185  7.8591  17.990  8.1358  -0.8054733     11.31176  
1 1 1 13  17  31 o 44.568  6.0257  1245.06    283.412  1560.38    415.498  970.699    387.569  47.108  8.4541  35.213  9.8016  11.89478       12.94389  
1 1 1 13  17  32 o 23.376  8.7070  411.552    295.137  421.471    455.038  404.349    387.762  23.478  10.049  23.146  9.5495  0.3313580      13.86263  
1 1 1 13  18  0  f 136.926 3.1409  10156.78   465.817  10063.03   655.549  10252.40   662.028  136.269 4.4416  137.546 4.4439  -1.276154      6.282945  
1 1 1 13  18  1  o 87.598  2.4685  4156.45    234.206  4136.08    313.788  4182.07    351.918  87.376  3.3157  87.856  3.6983  -0.4803238     4.967005  
1 1 1 13  18  2  o 244.097 4.5394  32291.85   1200.13  31228.16   1696.93  33356.33   1697.55  239.946 6.5295  247.999 6.3198  -8.053589      9.087025  
1 1 1 13  18  3  o 336.161 6.0200  61284.59   2191.89  60258.06   3099.30  62311.78   3100.28  333.090 8.5908  338.734 8.4503  -5.644470      12.05027  
1 1 1 13  18  4  o 401.395 7.3537  87452.95   3197.04  87934.25   4942.70  87106.73   4192.06  401.865 11.356  400.268 9.6696  1.597504       14.91484  
1 1 1 13  18  5  o 213.831 3.9144  24779.18   906.575  25575.31   1282.07  23983.00   1282.11  217.167 5.4506  210.288 5.6291  6.878571       7.835588  
1 1 1 13  18  6  o 324.297 5.6555  57046.46   1986.48  58215.17   2809.59  55878.20   2809.03  327.348 7.9243  320.689 8.0873  6.658844       11.32251  
1 1 1 13  18  7  o 371.059 6.2011  74720.97   2492.20  77067.78   3524.88  72375.16   3524.12  376.467 8.6446  364.778 8.9198  11.68964       12.42141  
1 1 1 13  18  8  o 242.994 4.4635  32014.44   1174.73  32711.22   1662.06  31318.89   1660.58  245.485 6.2511  240.191 6.3831  5.293137       8.934186  
1 1 1 13  18  9  o 135.855 3.0989  10001.52   455.983  10058.04   646.510  9945.58    643.217  136.196 4.3827  135.432 4.3850  0.7637024      6.199671  
1 1 1 13  18  10 o 164.251 3.3946  14622.29   603.902  14796.00   855.992  14450.16   852.115  165.157 4.7852  163.213 4.8203  1.943558       6.792172  
1 1 1 13  18  11 o 126.407 3.0353  8659.54    415.570  8955.24    589.813  8368.04    585.620  128.504 4.2377  124.214 4.3528  4.289238       6.074969  
1 1 1 13  18  12 o 33.766  3.7916  625.978    136.273  805.649    203.373  479.577    183.580  38.201  5.0382  29.182  6.0083  9.018780       7.841153  
1 1 1 13  18  13 o 299.381 5.2734  48662.02   1709.95  50790.29   2420.21  46540.68   2416.26  305.500 7.3143  292.378 7.6301  13.12241       10.56961  
1 1 1 13  18  14 o 207.969 4.0068  23460.85   902.541  24041.70   1278.57  22883.95   1274.21  210.363 5.6116  205.221 5.7326  5.141846       8.021974  
1 1 1 13  18  15 o 270.551 5.6420  39787.68   1653.29  40230.59   2024.23  38900.21   2865.35  271.808 6.8759  266.484 9.9274  5.324341       12.07607  
1 1 1 13  18  16 o 80.762  3.4070  3537.78    298.025  3105.65    508.594  3763.76    367.784  75.268  6.2965  83.273  4.0777  -8.005203      7.501582  
1 1 1 13  18  17 o 22.027  6.0643  272.460    149.260  358.770    204.430  173.919    218.436  25.301  7.1456  20.249  7.5009  5.051712       10.35968  
1 1 1 13  18  18 o 176.357 3.5876  16889.46   685.274  17526.36   972.178  16260.49   966.098  179.421 5.0027  172.790 5.1622  6.630554       7.188525  
1 1 1 13  18  19 o 192.909 3.8182  20236.99   797.780  20670.66   1129.15  19804.73   1127.32  194.575 5.3579  190.424 5.4658  4.150574       7.653891  
1 1 1 13  18  20 o 60.870  2.1903  2010.21    144.404  1823.51    296.251  2068.40    165.382  57.582  4.7936  61.729  2.4736  -4.147205      5.394219  
1 1 1 13  18  21 o 86.789  4.1335  4113.15    388.553  4231.62    542.766  3988.60    556.485  87.511  5.7586  84.847  6.0961  2.663185       8.385897  
1 1 1 13  18  22 o 28.715  7.7747  477.943    247.742  1121.70    367.837  -56.5139   335.160  44.076  7.9999  19.207  8.4192  24.86825       11.61380  
1 1 1 13  18  23 o 79.222  3.3702  3427.13    289.185  4053.68    426.881  2895.71    393.139  85.733  4.6141  72.284  5.0533  13.44919       6.842978  
1 1 1 13  18  24 o 57.971  3.9137  1852.18    244.297  2320.53    348.482  1399.59    342.570  64.574  5.0220  49.545  6.5439  15.02895       8.248834  
1 1 1 13  18  25 o 49.549  4.4111  1367.16    234.254  1262.17    306.895  1513.72    362.598  46.976  6.1819  51.293  6.6857  -4.316532      9.105717  
1 1 1 13  18  26 o 17.376  6.9066  105.353    194.433  224.375    264.157  -35.3671   287.228  21.742  8.2091  17.632  7.7597  4.109879       11.29612  
1 1 1 13  18  27 o 19.359  7.2311  180.081    203.841  97.708     275.797  279.253    302.616  19.326  8.0200  23.398  8.7966  -4.071711      11.90383  
1 1 1 13  18  28 o 23.716  7.7564  340.240    229.462  196.553    304.177  529.990    349.549  21.396  8.5931  28.666  9.5820  -7.270454      12.87075  
1 1 1 13  18  29 o 12.397  3.2960  88.853     45.018   286.125    334.131  85.206     45.432   22.685  9.0421  12.155  3.3455  10.53011       9.641189  
1 1 1 13  18  30 o 21.937  7.9740  305.819    245.050  134.417    316.910  560.695    386.449  19.530  8.3734  27.403  10.006  -7.872955      13.04710  
1 1 1 13  18  31 o 41.356  6.3118  1088.23    273.766  1271.97    372.716  872.943    403.433  42.470  8.4002  32.603  10.249  9.866646       13.25150  
1 1 1 13  18  32 o ?       ?       -267.1987  36.915   661.426    522.340  -271.8602  37.008   26.348  10.994  ?       ?       0.000000       10.99418  
1 1 1 13  19  0  f 352.678 6.1900  67450.11   2364.52  67991.09   3343.21  66908.66   3344.65  353.854 8.7231  351.018 8.7973  2.835999       12.38892  
1 1 1 13  19  1  o 76.739  2.6476  3189.94    220.057  3245.53    308.183  3132.11    314.323  77.396  3.6764  75.933  3.8343  1.462891       5.312029  
1 1 1 13  19  2  o 258.695 4.6531  36272.25   1303.76  36514.46   1843.95  36030.13   1843.64  259.452 6.5618  257.723 6.6047  1.729218       9.310177  
1 1 1 13  19  3  o 396.672 6.7564  85369.86   2902.80  82299.19   4104.71  88441.97   4105.67  389.086 9.7402  403.399 9.3968  -14.31277      13.53404  
1 1 1 13  19  4  o 534.091 9.5370  155091.09  5516.92  148919.50  8560.83  159474.59  7214.90  521.791 15.148  540.874 12.316  -19.08289      19.52269  
1 1 1 13  19  5  o 194.835 3.7141  20571.07   783.773  20770.21   1108.50  20371.99   1108.34  195.713 5.2293  193.825 5.2795  1.887665       7.430978  
1 1 1 13  19  6  f 455.448 7.7106  112680.60  3803.64  113772.00  5379.23  111589.40  5379.08  456.958 10.869  452.526 10.975  4.431366       15.44575  
1 1 1 13  19  7  o 339.660 5.9052  62599.90   2172.44  64646.55   3072.64  60554.16   3071.96  344.853 8.2264  333.717 8.4990  11.13608       11.82816  
1 1 1 13  19  8  o 56.123  2.7250  1706.54    165.642  1475.56    232.357  1945.22    236.197  52.005  4.1599  59.796  3.6646  -7.790909      5.543888  
1 1 1 13  19  9  o 160.209 3.3392  13910.25   579.428  14687.31   821.834  13142.20   817.056  164.567 4.6107  155.659 4.8463  8.908310       6.689195  
1 1 1 13  19  10 o 266.412 4.7983  38500.87   1384.57  38596.22   1959.28  38405.75   1956.88  266.520 6.7873  265.861 6.7958  0.6595459      9.604699  
1 1 1 13  19  11 o 302.992 5.3593  49828.93   1758.77  49831.30   2487.90  49826.57   2486.65  302.657 7.5895  302.644 7.5860  0.1376343E-01  10.73069  
1 1 1 13  19  12 o 443.171 7.3775  106853.30  3541.20  111893.50  5009.15  101817.50  5006.88  452.546 10.220  431.502 10.713  21.04422       14.80570  
1 1 1 13  19  13 o 508.166 8.4948  140774.41  4675.52  145326.70  6613.06  136224.59  6611.30  514.708 11.862  498.115 12.254  16.59280       17.05528  
1 1 1 13  19  14 o 255.584 4.8072  35460.05   1330.73  37564.61   1763.55  32677.26   2027.91  262.853 6.1945  244.906 7.6450  17.94708       9.839622  
1 1 1 13  19  15 o 120.797 3.0218  7910.73    395.363  7774.65    555.967  8049.94    562.342  119.688 4.2887  121.790 4.2630  -2.102135      6.047040  
1 1 1 13  19  16 o 86.868  3.4188  4093.13    321.661  4360.60    580.089  3974.38    386.528  89.308  6.0324  85.564  4.1708  3.743813       7.333800  
1 1 1 13  19  17 o 44.614  2.2912  1081.71    110.342  1281.59    263.922  1039.38    121.468  48.271  5.1264  43.709  2.5772  4.562565       5.737780  
1 1 1 13  19  18 o 66.357  2.9680  2389.17    213.312  2469.52    301.975  2309.13    301.363  67.273  4.1649  65.026  4.3033  2.246964       5.988670  
1 1 1 13  19  19 o 23.949  5.6616  326.002    144.542  261.085    204.016  391.427    204.812  22.248  7.3155  26.248  7.0532  -4.000700      10.16191  
1 1 1 13  19  20 o 111.413 3.1348  6747.99    378.281  6565.07    524.977  6945.54    545.557  109.687 4.4189  112.812 4.4650  -3.124657      6.281920  
1 1 1 13  19  21 o 53.340  2.2125  1544.57    127.820  1376.27    302.152  1581.25    141.064  49.699  5.7174  53.958  2.4138  -4.258930      6.206032  
1 1 1 13  19  22 o 68.959  4.5179  2617.39    335.574  3218.62    488.464  2080.00    461.803  76.065  5.9771  60.669  7.1662  15.39631       9.331685  
1 1 1 13  19  23 o 72.525  4.5360  2902.75    354.521  3338.73    514.425  2508.39    489.258  77.195  6.2051  66.579  6.8841  10.61533       9.267894  
1 1 1 13  19  24 o 70.282  3.4306  2702.65    261.148  2876.28    360.094  2510.00    379.292  72.060  4.6383  67.078  5.2628  4.981773       7.015109  
1 1 1 13  19  25 o 29.916  6.4105  523.686    201.464  602.623    271.293  426.635    300.815  31.702  7.9230  27.126  8.8812  4.575977       11.90166  
1 1 1 13  19  26 o 15.396  6.5531  18.763     191.581  -77.9018   257.630  138.342    286.544  16.081  7.1964  20.459  8.2968  -4.378286      10.98293  
1 1 1 13  19  27 o 38.582  5.3956  855.874    219.308  900.362    298.634  803.796    323.105  38.675  7.3988  35.994  8.4352  2.680977       11.22027  
1 1 1 13  19  28 o 19.921  7.3447  208.641    208.957  -39.1911   284.387  499.428    308.048  17.097  7.6124  27.918  8.9759  -10.82029      11.76927  
1 1 1 13  19  29 o 38.069  6.1947  888.181    246.645  826.948    333.919  961.698    365.884  34.644  8.8630  37.193  9.1463  -2.549454      12.73609  
1 1 1 13  19  30 o 29.034  1.5981  461.873    50.061   395.892    313.283  463.602    50.712   24.170  8.9770  29.085  1.6162  -4.914843      9.121357  
1 1 1 13  19  31 o 33.646  7.6455  777.418    272.291  980.348    382.304  568.490    387.913  35.513  9.6759  26.658  9.9718  8.855375       13.89456  
1 1 1 13  19  32 o 28.178  9.6516  666.644    354.732  691.189    459.037  630.256    558.913  27.242  10.680  25.805  11.093  1.436298       15.39888  
1 1 1 13  20  0  o 427.997 7.3190  99396.58   3392.85  100743.00  4797.81  98049.64   4798.64  430.475 10.290  424.658 10.433  5.816345       14.65386  
1 1 1 13  20  1  o 383.959 6.6303  79970.11   2757.33  83179.98   3899.55  76760.58   3899.34  391.289 9.2012  375.837 9.5790  15.45206       13.28236  
1 1 1 13  20  2  o 223.222 4.2740  27004.02   1033.34  27559.47   1461.56  26448.86   1461.17  225.428 5.9860  220.833 6.1090  4.595413       8.552894  
1 1 1 13  20  3  f 254.161 4.7410  35015.87   1305.11  35284.11   1845.00  34747.22   1846.41  255.014 6.6798  253.063 6.7364  1.951630       9.486762  
1 1 1 13  20  4  o 464.543 8.3768  117235.40  4214.75  115012.40  6530.06  118822.80  5518.05  459.066 13.133  467.167 10.905  -8.100800      17.07075  
1 1 1 13  20  5  o 221.118 4.2578  26501.56   1019.72  26117.97   1440.56  26886.79   1443.64  219.412 6.0618  222.623 5.9871  -3.210815      8.520021  
1 1 1 13  20  6  o 244.585 4.3894  32429.68   1162.79  32260.08   1644.49  32599.25   1644.38  243.819 6.2272  245.100 6.1942  -1.281021      8.783317  
1 1 1 13  20  7  o 278.706 5.0837  42127.91   1534.60  41106.84   2169.37  43150.64   2171.14  275.096 7.2808  281.871 7.1116  -6.775269      10.17766  
1 1 1 13  20  8  o 293.005 5.2708  46572.56   1672.71  46422.77   2365.80  46722.29   2365.35  292.282 7.4732  293.227 7.4477  -0.9447632     10.55068  
1 1 1 13  20  9  o 110.124 2.8099  6571.04    335.150  6943.60    477.742  6210.02    470.293  113.174 3.8974  107.025 4.0571  6.149803       5.625807  
1 1 1 13  20  10 o 119.227 2.9502  7703.10    380.972  8264.32    541.735  7153.97    535.864  123.459 4.0513  114.857 4.3075  8.601631       5.913350  
1 1 1 13  20  11 o 208.206 3.9652  23505.54   894.184  24670.36   1266.09  22346.31   1263.05  213.182 5.4833  202.868 5.7483  10.31354       7.944149  
1 1 1 13  20  12 o 78.569  2.7629  3345.21    235.117  3471.06    336.812  3225.60    328.362  80.007  3.8868  77.024  3.9493  2.983101       5.541100  
1 1 1 13  20  13 o 133.303 3.0713  9631.59    443.438  9545.32    629.929  9716.34    624.342  132.644 4.3846  133.831 4.3072  -1.187210      6.146297  
1 1 1 13  20  14 o 20.359  5.6374  231.913    128.562  255.659    177.664  205.810    186.269  21.773  6.7943  20.377  6.9934  1.396309       9.750416  
1 1 1 13  20  15 f 262.852 4.9371  37525.29   1405.57  37445.85   1858.49  37631.45   2148.45  262.287 6.5421  262.715 7.5504  -0.4279785     9.990334  
1 1 1 13  20  16 o 75.343  3.4285  3079.26    279.781  3088.14    343.306  3061.70    482.783  75.301  4.2264  74.761  6.0130  0.5397797      7.349751  
1 1 1 13  20  17 o 93.125  2.9331  4703.55    295.845  4878.34    419.972  4531.37    416.823  94.773  4.0913  91.332  4.2136  3.440598       5.873139  
1 1 1 13  20  18 o 103.304 2.9540  5790.76    330.521  6009.90    467.981  5572.66    466.876  105.143 4.1094  101.232 4.2581  3.911224       5.917612  
1 1 1 13  20  19 o 194.877 3.8308  20657.24   808.575  21469.82   1143.50  19844.68   1143.49  198.268 5.3249  190.550 5.5405  7.717911       7.684567  
1 1 1 13  20  20 o 64.802  3.1078  2282.96    218.131  2395.91    312.052  2175.04    305.034  66.119  4.3823  62.962  4.5027  3.156422       6.283206  
1 1 1 13  20  21 o 140.152 3.3648  10698.51   510.771  11349.66   705.685  9982.05    740.232  144.022 4.5239  134.891 5.0666  9.131638       6.792339  
1 1 1 13  20  22 o 112.074 4.3231  6879.60    524.771  7422.77    748.668  6354.99    735.777  115.670 5.9964  106.831 6.3881  8.838959       8.761570  
1 1 1 13  20  23 o 100.594 4.3331  5557.45    472.110  5335.07    675.043  5770.36    660.521  97.560  6.4243  101.682 6.0244  -4.121788      8.807072  
1 1 1 13  20  24 o 64.784  3.6053  2306.05    251.973  2364.72    347.435  2240.95    365.976  65.194  4.9575  63.302  5.3891  1.891689       7.322521  
1 1 1 13  20  25 o 30.630  6.3924  548.614    205.214  601.245    284.991  491.938    295.740  31.578  8.2439  28.708  8.7328  2.869841       12.00931  
1 1 1 13  20  26 o 12.951  6.0383  -173.3759  207.566  -301.1847  308.942  -68.2119   280.240  15.179  7.1681  16.937  7.5476  -1.757409      10.40909  
1 1 1 13  20  27 o 17.892  7.0344  125.735    199.661  236.475    266.763  -15.3183   301.067  21.868  8.2512  18.171  7.9719  3.696718       11.47314  
1 1 1 13  20  28 o 33.987  6.2367  692.922    221.121  757.215    300.324  616.808    326.772  34.471  8.1689  30.630  9.1489  3.841337       12.26509  
1 1 1 13  20  29 o 34.929  6.8582  770.174    250.199  861.010    348.124  673.125    359.835  35.140  9.0812  30.529  9.6891  4.611012       13.27956  
1 1 1 13  20  30 o 19.269  7.7437  187.077    247.182  229.974    330.276  132.454    372.692  21.188  8.7833  20.351  8.9004  0.8371010      12.50455  
1 1 1 13  20  31 o 19.609  7.8389  219.339    251.849  253.324    338.072  176.959    377.522  21.108  8.8294  20.447  8.9497  0.6611176      12.57205  
1 1 1 13  20  32 o 22.994  9.1667  398.305    343.442  439.143    441.192  335.501    547.128  23.653  10.001  22.792  10.318  0.8606949      14.36921  
1 1 1 13  21  0  o 520.024 8.2769  146830.91  4661.88  146436.80  6298.75  147308.30  6932.51  518.764 11.210  520.052 12.308  -1.287598      16.64771  
1 1 1 13  21  1  o 176.047 3.6999  16793.06   705.484  15691.50   1050.99  17696.48   951.783  170.112 5.7042  180.685 4.8635  -10.57280      7.496037  
1 1 1 13  21  2  o 191.891 3.8046  19953.03   790.752  19041.21   1117.82  20866.39   1118.77  187.395 5.5073  196.181 5.2652  -8.786270      7.619246  
1 1 1 13  21  3  o 319.347 5.7238  55307.27   1979.77  55182.55   2799.23  55432.10   2800.40  318.760 8.1078  319.481 8.0929  -0.7216492     11.45567  
1 1 1 13  21  4  o 214.058 4.3168  24835.81   1000.83  25787.52   1514.84  24098.58   1333.26  218.007 6.4155  210.781 5.8400  7.225494       8.675467  
1 1 1 13  21  5  o 264.517 4.6692  37933.61   1337.74  39180.00   1892.04  36687.75   1891.65  268.690 6.5014  259.985 6.7177  8.704742       9.348605  
1 1 1 13  21  6  o 110.578 2.8022  6624.66    335.610  6541.01    474.519  6708.38    474.729  109.854 3.9881  111.252 3.9397  -1.397743      5.605946  
1 1 1 13  21  7  o 319.249 5.6039  55295.27   1937.71  54807.06   2740.50  55783.35   2740.17  317.542 7.9682  320.368 7.8969  -2.826141      11.21842  
1 1 1 13  21  8  o 182.100 3.6952  17973.44   728.811  17580.15   1030.57  18366.91   1030.81  180.016 5.2857  184.006 5.1722  -3.990814      7.395274  
1 1 1 13  21  9  o 134.365 2.9706  9783.16    432.310  10507.47   614.684  9074.21    608.126  139.213 4.0766  129.361 4.3403  9.852402       5.954593  
1 1 1 13  21  10 o 256.014 4.6548  35552.53   1290.72  37372.65   1827.31  33740.18   1823.41  262.293 6.4322  249.181 6.7562  13.11232       9.328361  
1 1 1 13  21  11 o 59.044  2.7304  1889.11    174.615  1986.83    254.961  1802.78    239.638  60.407  3.9180  57.533  3.8681  2.873913       5.505770  
1 1 1 13  21  12 o 82.766  2.4935  3711.74    223.528  4152.56    348.556  3403.80    291.320  87.515  3.6772  79.240  3.3943  8.275085       5.004343  
1 1 1 13  21  13 o 369.175 6.3810  74092.16   2551.46  75175.76   3609.98  73010.55   3606.64  371.169 8.9797  365.746 9.1044  5.422882       12.78774  
1 1 1 13  21  14 o 77.853  2.8265  3285.22    238.338  3544.52    340.161  3035.16    334.044  80.837  3.8851  74.680  4.1461  6.156425       5.681913  
1 1 1 13  21  15 o 77.095  2.8910  3222.06    241.406  3177.64    332.026  3271.87    351.616  76.420  4.0256  77.532  4.2028  -1.111885      5.819701  
1 1 1 13  21  16 o 63.694  3.4107  2207.02    234.439  2415.76    301.431  1887.45    372.971  66.573  4.2020  58.587  5.9606  7.985329       7.292854  
1 1 1 13  21  17 o 82.578  3.3246  3700.20    297.354  3890.75    522.610  3608.99    361.589  84.318  5.7569  81.408  4.1143  2.910385       7.075968  
1 1 1 13  21  18 o 168.101 3.5126  15347.56   639.533  15850.09   902.904  14841.61   905.977  170.600 4.8864  165.048 5.0680  5.551453       7.040016  
1 1 1 13  21  19 o 36.810  4.2124  747.317    164.922  761.869    220.759  728.936    248.099  36.902  5.7075  35.896  6.6254  1.006340       8.744803  
1 1 1 13  21  20 o 20.309  5.9899  230.320    140.761  352.037    192.505  90.470     206.347  24.878  6.9018  17.775  7.0992  7.103168       9.901226  
1 1 1 13  21  21 o 26.002  6.4992  388.524    182.531  504.454    234.067  208.620    291.584  29.543  7.3461  22.567  8.5997  6.975908       11.31014  
1 1 1 13  21  22 o 103.500 3.1533  5837.06    353.488  6122.49    491.801  5532.00    508.427  105.723 4.2949  100.390 4.6759  5.332878       6.349030  
1 1 1 13  21  23 o 55.372  5.4351  1712.73    321.757  2232.19    441.836  1126.22    469.490  62.865  6.5869  43.145  10.206  19.72006       12.14728  
1 1 1 13  21  24 o 47.147  5.3437  1249.46    268.055  1483.28    368.510  986.736    390.630  50.857  6.8654  40.473  9.1285  10.38410       11.42208  
1 1 1 13  21  25 o 40.858  4.9166  940.607    213.207  979.899    289.804  894.249    314.784  41.046  6.7537  38.766  7.7678  2.280094       10.29328  
1 1 1 13  21  26 o 6.6221  2.8499  -2.9647    36.960   185.785    296.603  -5.9418    37.251   21.554  8.5420  6.5218  2.8337  15.03243       8.999736  
1 1 1 13  21  27 o 50.543  2.4706  1396.84    135.246  1539.05    322.803  1366.56    148.950  51.636  5.8766  49.857  2.7692  1.779140       6.496348  
1 1 1 13  21  28 o 26.964  7.6595  458.436    234.189  463.039    344.461  454.480    319.349  26.985  9.4958  26.728  9.1576  0.2564793      13.19209  
1 1 1 13  21  29 o 14.466  6.5039  -44.6567   213.101  73.889     275.253  -222.0220  336.685  18.019  7.7658  15.957  7.5192  2.062362       10.80959  
1 1 1 13  21  30 f 29.570  7.8521  595.853    255.706  700.109    342.615  464.759    384.191  30.713  9.4107  25.509  9.8341  5.204014       13.61146  
1 1 1 13  21  31 o 19.899  7.8603  235.158    250.391  537.497    333.927  -153.1748  378.449  26.369  9.3418  16.916  7.9716  9.452805       12.28076  
1 1 1 13  21  32 o 31.319  9.5597  804.441    353.956  666.554    455.910  1013.66    561.591  26.920  10.615  30.789  11.884  -3.868727      15.93457  
1 1 1 13  22  0  o 220.567 4.2517  26365.31   1015.72  27077.18   1171.14  24204.38   2040.46  223.502 4.8379  211.078 8.9251  12.42320       10.15199  
1 1 1 13  22  1  o 355.723 5.5865  68614.20   2152.40  71892.48   2778.09  63690.97   3404.45  363.985 7.0468  342.355 9.1812  21.63068       11.57378  
1 1 1 13  22  2  o 121.256 2.8711  7965.24    377.068  7827.14    537.269  8099.29    529.329  120.178 4.1276  122.252 3.9976  -2.074150      5.746115  
1 1 1 13  22  3  o 85.951  2.8310  4002.17    263.545  4282.21    370.053  3713.94    375.422  88.894  3.8435  82.673  4.2065  6.220451       5.697983  
1 1 1 13  22  4  o 179.019 3.6045  17366.37   698.899  17161.90   987.847  17571.29   988.938  177.905 5.1266  180.017 5.0721  -2.111801      7.211661  
1 1 1 13  22  5  o 66.427  2.6466  2390.51    190.419  2209.99    246.931  2655.34    299.089  63.759  3.5903  69.882  3.9679  -6.122883      5.351123  
1 1 1 13  22  6  o 193.137 3.8902  20217.72   813.776  19884.08   1150.48  20551.79   1151.23  191.455 5.5481  194.648 5.4606  -3.193146      7.784573  
1 1 1 13  22  7  o 307.640 5.4664  51344.08   1821.45  51674.56   2576.06  51013.67   2575.78  308.361 7.7131  306.375 7.7622  1.985077       10.94273  
1 1 1 13  22  8  o 145.584 3.1749  11485.55   500.624  11259.16   707.828  11712.15   708.150  144.094 4.5354  146.968 4.4487  -2.873749      6.352993  
1 1 1 13  22  9  f 132.825 3.0629  9560.58    440.638  9627.93    625.435  9494.21    620.904  133.248 4.3336  132.320 4.3324  0.9285583      6.127800  
1 1 1 13  22  10 o 202.826 3.8786  22303.99   852.066  23150.13   1207.25  21464.13   1202.77  206.528 5.3970  198.850 5.5845  7.678207       7.766208  
1 1 1 13  22  11 o 148.371 3.1658  11931.32   508.748  12539.10   722.055  11332.13   716.929  152.046 4.3846  144.533 4.5797  7.513031       6.340202  
1 1 1 13  22  12 o 25.743  4.2862  369.097    115.307  474.373    177.955  292.910    151.385  29.035  5.8607  22.816  6.0335  6.218588       8.411375  
1 1 1 13  22  13 o 241.966 4.4466  31766.80   1165.35  32135.39   1649.20  31399.23   1646.91  243.139 6.2625  240.329 6.3269  2.810394       8.902177  
1 1 1 13  22  14 o 220.686 4.1841  26425.06   1000.11  27703.16   1415.74  25151.92   1412.99  225.764 5.7897  215.079 6.0656  10.68462       8.385235  
1 1 1 13  22  15 o 144.194 3.1798  11273.93   496.608  12329.11   708.512  10254.90   696.268  150.711 4.3404  137.424 4.6778  13.28656       6.381317  
1 1 1 13  22  16 o 168.506 4.0567  15414.45   740.393  15629.45   906.502  14983.61   1283.22  169.579 4.9355  165.712 7.1495  3.866882       8.687606  
1 1 1 13  22  17 o 133.521 3.5880  9677.74    518.892  8925.00    903.492  10048.23   633.852  127.705 6.5541  135.982 4.3036  -8.276764      7.840737  
1 1 1 13  22  18 o 82.798  2.9979  3720.78    268.853  3674.74    385.392  3764.43    375.242  82.071  4.3511  83.093  4.1828  -1.021278      6.035547  
1 1 1 13  22  19 o 110.047 3.0085  6577.45    358.585  6942.54    503.991  6203.17    510.300  112.916 4.1209  106.691 4.4160  6.224930       6.040123  
1 1 1 13  22  20 o 30.037  4.9529  506.318    155.518  516.536    222.761  496.603    217.216  29.991  6.9874  29.409  6.9325  0.5819874      9.842896  
1 1 1 13  22  21 o 94.431  2.9574  4851.44    302.479  5174.63    431.127  4538.12    424.490  97.323  4.0900  91.098  4.3022  6.224403       5.936038  
1 1 1 13  22  22 o 82.206  2.6914  3676.49    239.633  4213.33    395.283  3364.55    301.315  87.726  4.1602  78.510  3.5434  9.215912       5.464693  
1 1 1 13  22  23 o 37.335  6.7010  802.116    261.012  1383.63    384.028  302.850    355.835  49.023  7.4686  25.466  9.5458  23.55647       12.12031  
1 1 1 13  22  24 o 54.461  4.8941  1654.13    285.610  1785.60    390.253  1502.49    419.116  55.981  6.5606  50.740  7.8821  5.241570       10.25520  
1 1 1 13  22  25 o 80.339  2.7299  3524.90    237.540  3478.90    413.966  3547.48    290.042  78.961  4.8641  80.432  3.3294  -1.471428      5.894401  
1 1 1 13  22  26 o 61.979  3.7656  2127.88    251.584  2009.85    343.382  2264.67    369.657  59.540  5.3830  63.190  5.4545  -3.650181      7.663450  
1 1 1 13  22  27 o 53.630  4.2039  1611.14    242.238  1842.00    328.733  1336.84    358.331  56.768  5.4121  47.323  7.2197  9.444839       9.023017  
1 1 1 13  22  28 o 27.697  1.5945  419.177    47.631   248.962    277.070  424.361    48.351   21.798  8.3647  27.867  1.6088  -6.068718      8.518026  
1 1 1 13  22  29 o 47.203  5.8008  1343.84    290.325  1612.65    423.887  1106.31    398.456  49.437  8.2041  39.569  9.4309  9.867630       12.49992  
1 1 1 13  22  30 o 19.299  7.7190  193.246    244.332  277.622    323.231  80.761     373.207  21.846  8.8284  19.636  8.7330  2.209524       12.41795  
1 1 1 13  22  31 o 19.908  8.1512  220.674    279.860  491.713    417.591  -0.3144    377.068  25.111  10.074  18.331  8.4007  6.779411       13.11729  
1 1 1 13  22  32 o 16.044  7.5775  -144.8579  345.493  -322.6940  408.284  303.633    648.379  15.898  7.6986  23.016  10.711  -7.117957      13.19102  
1 1 1 13  23  0  o 111.896 2.7762  6782.77    336.465  6602.96    384.371  7372.22    695.949  110.397 3.2146  116.603 5.5106  -6.205627      6.379671  
1 1 1 13  23  1  o 167.704 3.6769  15239.67   667.883  15386.61   768.882  14787.96   1348.06  168.496 4.2131  165.049 7.5409  3.446564       8.638053  
1 1 1 13  23  2  o 535.244 8.9611  155695.30  5194.98  157098.59  7346.80  154291.91  7346.83  536.717 12.638  531.867 12.753  4.850220       17.95473  
1 1 1 13  23  3  o 241.393 4.2451  31583.12   1109.91  31705.58   1569.03  31460.46   1570.27  241.760 5.9921  240.822 6.0202  0.9382324      8.493937  
1 1 1 13  23  4  o 170.289 3.4492  15713.33   636.169  15648.78   899.208  15778.02   900.152  169.888 4.8868  170.589 4.8719  -0.7007294     6.900437  
1 1 1 13  23  5  o 197.553 3.8797  21152.09   830.136  21540.04   1173.76  20763.83   1174.22  199.281 5.4381  195.651 5.5411  3.629410       7.763790  
1 1 1 13  23  6  o 377.776 6.5174  77471.65   2666.73  76257.79   3771.26  78685.59   3771.39  374.344 9.3013  380.285 9.1563  -5.940674      13.05195  
1 1 1 13  23  7  o 70.240  2.4860  2672.83    189.125  2945.83    268.833  2405.32    266.113  73.729  3.3665  66.514  3.7086  7.214699       5.008716  
1 1 1 13  23  8  o 405.491 7.0998  89339.73   3118.16  88606.52   4409.91  90072.81   4409.57  403.141 10.100  406.486 10.016  -3.344421      14.22373  
1 1 1 13  23  9  o 28.320  3.7353  442.306    111.780  486.522    167.255  406.616    150.268  29.478  5.4390  26.903  5.3453  2.574141       7.625932  
1 1 1 13  23  10 o 157.710 3.2696  13480.62   558.507  13725.86   792.707  13238.89   787.019  159.074 4.6009  156.224 4.6512  2.850113       6.542344  
1 1 1 13  23  11 o 101.653 2.8362  5599.78    312.270  6074.17    446.146  5144.17    437.221  105.841 3.8918  97.394  4.1448  8.447060       5.685534  
1 1 1 13  23  12 o 115.125 2.9311  7183.07    365.483  7319.16    520.484  7050.69    513.330  116.167 4.1367  114.015 4.1568  2.151215       5.864450  
1 1 1 13  23  13 o 136.124 3.1980  10044.76   471.497  10308.92   652.037  9755.26    682.606  137.842 4.3674  134.070 4.7008  3.772324       6.416463  
1 1 1 13  23  14 o 133.737 3.1820  9696.93    460.917  9458.76    638.681  9955.79    665.837  132.012 4.4668  135.432 4.5392  -3.419174      6.368410  
1 1 1 13  23  15 o 166.046 3.3924  14952.72   610.097  16365.80   865.581  13557.61   860.061  173.609 4.6033  157.974 5.0266  15.63542       6.815905  
1 1 1 13  23  16 o 73.857  3.3992  2959.29    271.918  3100.13    330.460  2663.99    478.509  75.458  4.0583  69.630  6.4171  5.828072       7.592685  
1 1 1 13  23  17 o 29.522  5.5693  490.214    171.551  742.105    315.994  384.948    204.276  36.078  8.2642  26.104  7.0564  9.973795       10.86692  
1 1 1 13  23  18 o 86.445  2.6604  4054.09    249.094  4374.59    385.607  3824.58    326.314  89.698  3.9691  83.900  3.5909  5.797974       5.352395  
1 1 1 13  23  19 o 28.150  1.5853  430.859    48.137   466.067    202.350  428.747    49.560   28.565  6.6626  28.077  1.6368  0.4881859      6.860681  
1 1 1 13  23  20 o 60.742  2.4698  2003.42    162.485  2444.33    297.605  1816.17    193.943  66.809  4.1330  57.706  3.1146  9.103855       5.175186  
1 1 1 13  23  21 o 43.846  3.7556  1056.50    176.631  1203.87    255.117  920.809    244.792  46.548  5.1463  40.499  5.7414  6.049187       7.710287  
1 1 1 13  23  22 o 142.734 3.2287  11107.16   499.150  12959.81   712.241  9319.00    699.734  153.793 4.2758  130.150 4.9639  23.64293       6.551542  
1 1 1 13  23  23 o 28.121  6.6150  459.649    198.106  396.766    286.100  517.571    274.582  26.573  8.6594  29.672  8.2469  -3.098494      11.95813  
1 1 1 13  23  24 o 95.357  4.3999  5014.02    454.432  5579.54    615.789  4337.75    673.395  99.830  5.7189  87.145  7.1989  12.68516       9.193988  
1 1 1 13  23  25 o 123.845 4.5206  8500.63    606.386  9434.21    862.514  7588.21    852.688  129.206 6.1633  115.129 6.8694  14.07741       9.229043  
1 1 1 13  23  26 o 42.350  4.8780  1014.84    219.662  1052.47    295.962  968.695    327.766  42.390  6.6663  40.086  7.8301  2.304203       10.28345  
1 1 1 13  23  27 o 33.291  6.8516  666.062    238.815  579.715    321.062  773.006    357.309  30.282  9.0739  34.724  9.3099  -4.442270      13.00040  
1 1 1 13  23  28 o 34.490  6.0879  714.551    219.109  628.421    293.630  822.770    329.134  30.998  8.4940  35.438  8.6506  -4.440031      12.12356  
1 1 1 13  23  29 o 24.729  8.3848  407.378    267.694  525.035    395.469  307.878    363.678  27.139  10.085  23.171  9.3643  3.967697       13.76201  
1 1 1 13  23  30 f 23.760  7.9080  381.501    238.137  311.733    325.268  462.098    349.599  22.455  8.9306  25.384  9.4722  -2.928593      13.01836  
1 1 1 13  23  31 o 22.907  8.5248  369.698    282.793  651.446    416.772  129.299    384.976  27.775  10.347  19.867  8.8505  7.907766       13.61552  
1 1 1 13  23  32 o 35.935  9.0669  996.347    352.886  798.239    448.593  1317.96    571.570  29.240  10.764  35.425  12.245  -6.185038      16.30395  
1 1 1 13  24  0  o 385.790 6.5974  80751.21   2756.72  79443.78   3181.65  84688.71   5521.45  382.528 7.6792  394.043 12.937  -11.51538      15.04465  
1 1 1 13  24  1  o 270.629 4.9228  39705.62   1442.96  40138.21   1664.52  38397.34   2894.65  272.054 5.6489  265.686 10.059  6.368134       11.53665  
1 1 1 13  24  2  o 281.276 4.8696  42891.99   1483.54  42999.84   1711.35  42565.89   2975.97  281.579 5.6113  279.740 9.8221  1.839233       11.31195  
1 1 1 13  24  3  o 224.183 4.0097  27238.34   973.602  26211.93   1375.51  28268.87   1378.26  219.827 5.7771  228.302 5.5738  -8.475067      8.027602  
1 1 1 13  24  4  o 471.478 7.9181  120766.50  4043.43  116409.60  5718.12  125123.80  5718.43  462.100 11.425  479.195 11.018  -17.09457      15.87188  
1 1 1 13  24  5  o 132.572 2.9695  9522.40    426.380  9329.27    602.379  9716.32    603.608  131.188 4.2394  133.884 4.1625  -2.696060      5.941313  
1 1 1 13  24  6  o 212.894 3.9113  24566.73   901.885  24910.98   1275.71  24222.76   1275.20  214.289 5.4965  211.303 5.5719  2.985901       7.826699  
1 1 1 13  24  7  o 110.656 2.8351  6634.51    339.792  6803.07    480.702  6466.18    480.375  112.027 3.9617  109.215 4.0609  2.811745       5.673314  
1 1 1 13  24  8  o 341.260 5.9084  63216.05   2183.87  64966.65   3089.08  61466.88   3087.83  345.569 8.2533  336.089 8.4826  9.479889       11.83515  
1 1 1 13  24  9  o 334.668 5.8026  60802.44   2103.31  61300.98   2975.51  60304.56   2973.55  335.636 8.1851  332.884 8.2473  2.751160       11.61954  
1 1 1 13  24  10 o 215.044 4.0424  25075.17   941.542  26108.43   1333.62  24048.33   1329.47  219.301 5.6146  210.451 5.8325  8.850052       8.095835  
1 1 1 13  24  11 o 217.813 4.0827  25728.30   963.169  26297.78   1363.74  25161.51   1360.52  220.064 5.7215  215.245 5.8358  4.818542       8.172673  
1 1 1 13  24  12 o 43.480  3.1250  1030.01    146.187  1139.90    213.438  932.899    200.635  45.632  4.3720  41.214  4.5716  4.417290       6.325669  
1 1 1 13  24  13 o 195.551 3.8358  20739.25   812.426  20744.00   1150.10  20734.52   1147.79  195.430 5.4335  195.386 5.4237  0.4365540E-01  7.677199  
1 1 1 13  24  14 o 146.562 3.2486  11646.67   515.694  12596.15   731.084  10706.38   727.532  152.341 4.4308  140.423 4.7835  11.91759       6.520229  
1 1 1 13  24  15 o 74.066  2.7916  2973.85    223.945  2850.00    317.026  3097.20    316.388  72.354  4.0619  75.452  3.8847  -3.098160      5.620458  
1 1 1 13  24  16 o 25.118  5.3773  356.303    141.880  443.751    206.925  278.715    194.912  27.972  6.8781  22.718  7.1209  5.254288       9.900263  
1 1 1 13  24  17 o 148.247 4.9077  11958.58   788.015  12533.99   1043.47  11194.88   1202.14  151.527 6.3580  142.712 7.8068  8.815674       10.06828  
1 1 1 13  24  18 o 89.674  2.8802  4364.32    279.739  4736.58    393.257  3983.01    398.006  93.337  3.8900  85.444  4.3146  7.892403       5.809342  
1 1 1 13  24  19 o 73.622  2.9309  2944.05    233.714  3222.80    333.305  2674.41    327.808  76.825  4.0196  69.913  4.3506  6.912292       5.923237  
1 1 1 13  24  20 f 59.295  3.1612  1917.94    202.287  2227.76    275.173  1553.64    298.387  63.787  4.0033  52.982  5.2697  10.80476       6.617835  
1 1 1 13  24  21 o 20.542  6.1363  236.167    146.995  416.045    208.666  58.965     207.109  26.869  7.0733  17.055  7.0009  9.814692       9.952044  
1 1 1 13  24  22 o 56.293  3.5699  1737.30    216.533  2054.79    300.001  1392.03    312.851  61.015  4.5729  49.804  5.9153  11.21064       7.476797  
1 1 1 13  24  23 f 21.507  1.7311  252.705    39.984   65.072     275.295  256.749    40.413   19.184  7.9912  21.679  1.7357  -2.494986      8.177484  
1 1 1 13  24  24 o 58.423  3.8736  1882.84    243.725  2236.97    341.871  1516.83    347.559  63.324  5.0258  51.593  6.3539  11.73056       8.101277  
1 1 1 13  24  25 o 47.093  5.9051  1266.44    294.577  1519.91    423.938  1029.79    409.620  50.653  7.9922  40.843  9.4476  9.810574       12.37466  
1 1 1 13  24  26 o 29.846  6.5156  528.174    204.717  668.696    275.361  354.526    306.101  33.175  7.7955  25.191  8.9420  7.983881       11.86296  
1 1 1 13  24  27 o 35.118  5.8646  722.306    215.204  660.811    288.806  799.081    322.696  32.529  8.1997  35.683  8.4754  -3.154091      11.79270  
1 1 1 13  24  28 o 19.371  7.7113  165.907    242.715  126.826    385.399  191.595    312.464  21.433  9.2129  21.153  8.6314  0.2806015      12.62451  
1 1 1 13  24  29 o 23.267  8.1560  349.178    253.988  212.428    358.747  486.611    359.640  21.600  9.0689  26.423  9.6517  -4.823650      13.24385  
1 1 1 13  24  30 f 17.646  7.5358  96.320     254.866  237.731    350.263  -62.8009   371.549  21.434  8.9782  17.981  8.2763  3.453342       12.21089  
1 1 1 13  24  31 o 20.856  8.6382  255.404    319.060  331.332    400.768  123.985    527.252  22.598  9.5417  21.351  9.8395  1.246477       13.70618  
1 1 1 13  24  32 o 19.938  8.5243  214.162    326.777  27.619     408.386  546.176    544.829  18.719  8.6382  24.971  10.843  -6.251486      13.86354  
1 1 1 13  25  0  o 119.118 2.9191  7687.10    376.621  7761.92    431.079  7445.79    774.119  119.690 3.3253  116.999 6.1301  2.691376       6.973963  
1 1 1 13  25  1  o 256.042 5.0777  35544.57   1408.16  36831.77   1664.04  32297.75   2642.83  260.583 5.8959  243.654 10.014  16.92943       11.62108  
1 1 1 13  25  2  o 281.126 5.3508  42857.86   1629.24  43121.40   1879.54  42061.31   3267.63  281.927 6.1552  277.915 10.856  4.012115       12.47916  
1 1 1 13  25  3  o 102.437 3.2751  5685.71    363.375  5799.83    445.868  5459.99    627.067  103.447 3.9794  100.159 5.8053  3.288200       7.038244  
1 1 1 13  25  4  o 261.576 5.2886  37108.28   1498.32  36593.47   1832.18  38147.69   2603.39  259.658 6.5147  264.839 9.0758  -5.181519      11.17196  
1 1 1 13  25  5  o 209.316 3.8254  23746.29   867.270  23860.73   1226.52  23631.86   1226.49  209.736 5.3992  208.726 5.4252  1.009933       7.654048  
1 1 1 13  25  6  o 335.807 5.8072  61189.25   2112.17  60777.63   2987.19  61600.79   2986.92  334.341 8.2490  336.607 8.1928  -2.265533      11.62616  
1 1 1 13  25  7  o 413.191 7.1066  92753.47   3180.41  91714.32   4497.81  93792.59   4497.73  410.197 10.124  414.849 10.010  -4.651428      14.23689  
1 1 1 13  25  8  o 353.638 6.2382  67906.15   2389.41  65378.66   3379.25  70433.28   3379.01  346.498 9.0043  359.714 8.6729  -13.21655      12.50183  
1 1 1 13  25  9  o 40.750  3.0718  905.007    134.579  1071.19    196.559  758.355    184.646  44.253  4.1494  37.096  4.7011  7.156639       6.270341  
1 1 1 13  25  10 o 124.077 2.9825  8343.02    400.817  8275.81    569.377  8409.04    564.339  123.531 4.2555  124.525 4.1842  -0.9933548     5.968014  
1 1 1 13  25  11 o 143.570 3.1296  11171.93   486.664  11689.12   690.870  10662.52   685.652  146.800 4.3451  140.197 4.5154  6.603409       6.266485  
1 1 1 13  25  12 o 173.550 3.5356  16329.74   664.586  16712.52   942.530  15951.26   937.225  175.476 4.9592  171.426 5.0477  4.049957       7.076223  
1 1 1 13  25  13 o 63.185  2.8487  2163.86    194.957  2494.57    275.497  1832.13    275.925  67.716  3.7712  57.938  4.4306  9.777985       5.818249  
1 1 1 13  25  14 o 53.658  3.0546  1565.92    176.786  1510.49    254.338  1617.74    245.902  52.559  4.5115  54.439  4.2030  -1.879898      6.165958  
1 1 1 13  25  15 o 115.789 2.9485  7269.04    369.778  7806.68    526.401  6745.29    519.556  119.933 4.0524  111.466 4.3035  8.466270       5.911132  
1 1 1 13  25  16 o 185.076 3.8520  18594.22   772.157  18556.51   1037.65  18641.02   1155.88  184.708 5.1867  185.034 5.7676  -0.3254242     7.756753  
1 1 1 13  25  17 f 165.751 4.0101  14927.58   719.915  16957.70   1250.31  13920.73   880.522  176.178 6.5523  159.904 5.0841  16.27458       8.293429  
1 1 1 13  25  18 o 137.024 3.1711  10195.76   470.628  10583.90   664.413  9804.91    666.731  139.432 4.3995  134.172 4.5880  5.259979       6.356510  
1 1 1 13  25  19 o 93.707  2.9347  4770.11    297.856  4787.52    428.373  4753.83    414.437  93.724  4.2199  93.411  4.0963  0.3132019      5.881090  
1 1 1 13  25  20 o 86.338  2.9731  4053.20    278.022  4525.01    395.228  3591.03    391.167  91.075  4.0066  80.939  4.4795  10.13564       6.009892  
1 1 1 13  25  21 f 12.446  5.4162  -21.9700   136.520  -104.6188  177.428  97.970     213.740  12.831  5.8349  18.113  7.2282  -5.282641      9.289383  
1 1 1 13  25  22 o 147.373 3.2808  11847.30   523.683  12238.44   741.166  11457.35   740.035  149.275 4.5841  144.367 4.7328  4.908554       6.588888  
1 1 1 13  25  23 o 26.634  6.7980  413.275    196.769  888.224    266.965  -151.6417  291.154  39.374  6.4858  16.459  7.4807  22.91577       9.900849  
1 1 1 13  25  24 o 79.485  3.2771  3457.28    282.123  3850.70    391.275  3031.25    407.165  83.452  4.3439  73.709  5.1321  9.742737       6.723687  
1 1 1 13  25  25 o 85.532  4.6479  4073.54    428.965  4678.70    589.352  3391.73    625.563  90.854  6.0232  76.231  7.6812  14.62322       9.761109  
1 1 1 13  25  26 o 30.832  7.5027  575.326    248.171  458.513    328.867  729.828    378.217  27.713  9.2941  33.944  9.7639  -6.231133      13.48012  
1 1 1 13  25  27 o 9.0461  3.4001  33.848     45.205   392.440    266.979  23.264     45.868   25.477  8.3681  8.5406  3.3672  16.93633       9.020155  
1 1 1 13  25  28 o 62.355  4.4898  2219.29    301.197  2413.46    435.720  2041.59    416.821  63.388  6.4357  57.972  6.7657  5.416180       9.337721  
1 1 1 13  25  29 o 18.245  7.5410  129.943    242.439  89.061     333.636  175.680    352.894  19.387  8.4513  20.949  8.9050  -1.562874      12.27695  
1 1 1 13  25  30 o 14.101  6.5344  -113.2229  237.306  -88.6160   300.173  -154.2323  387.513  16.115  7.4255  17.400  8.1576  -1.285561      11.03107  
1 1 1 13  25  31 o 14.268  6.8377  -255.0949  302.816  -217.6775  376.219  -323.9328  510.291  16.254  7.7436  17.867  8.6413  -1.613066      11.60324  
1 1 1 13  25  32 o 24.072  9.1767  453.201    332.103  214.240    414.927  879.171    553.985  20.759  9.2214  29.018  11.617  -8.259333      14.83211  
1 1 1 13  26  0  o 73.018  2.4545  2888.17    194.118  2650.55    217.678  3811.09    428.996  69.946  2.8733  83.711  4.7511  -13.76428      5.552386  
1 1 1 13  26  1  o 128.514 3.0186  8948.00    420.171  8923.23    481.599  9026.93    859.762  128.327 3.4650  128.991 6.1539  -0.6644745     7.062290  
1 1 1 13  26  2  o 56.638  4.1800  1748.19    254.609  1646.61    358.543  1851.53    361.619  54.747  6.1532  58.134  5.8214  -3.386673      8.470540  
1 1 1 13  26  3  o 58.116  4.2508  1840.58    265.716  1809.51    363.665  1876.16    389.190  57.448  5.9299  58.471  6.2419  -1.022133      8.609579  
1 1 1 13  26  4  o 94.882  4.0131  4879.57    412.411  5122.40    580.934  4632.85    585.567  97.018  5.5515  92.220  5.8933  4.798706       8.096314  
1 1 1 13  26  5  o 195.143 4.2629  20643.85   901.008  20559.41   1569.82  20685.33   1100.28  194.539 7.4503  195.290 5.2018  -0.7510223     9.086580  
1 1 1 13  26  6  o 190.207 3.7463  19609.07   771.780  19090.06   1089.46  20131.90   1093.47  187.590 5.3621  192.648 5.2405  -5.058319      7.497635  
1 1 1 13  26  7  o 253.786 4.6490  34929.10   1277.90  33391.31   1807.06  36467.42   1807.37  247.947 6.7289  259.148 6.4392  -11.20128      9.313489  
1 1 1 13  26  8  o 361.283 6.0079  70862.83   2350.94  72421.48   3325.23  69305.11   3324.23  364.797 8.4159  356.823 8.6014  7.973877       12.03374  
1 1 1 13  26  9  o 323.591 5.7256  56844.53   2006.71  57053.04   2838.90  56636.30   2836.95  323.791 8.0950  322.601 8.1192  1.189392       11.46518  
1 1 1 13  26  10 o 189.854 3.7014  19541.19   761.130  19958.75   1078.56  19126.96   1074.26  191.771 5.1927  187.725 5.2834  4.045624       7.407983  
1 1 1 13  26  11 o 268.401 4.7906  39089.20   1392.65  40934.20   1971.28  37250.82   1967.73  274.417 6.6323  261.733 6.9412  12.68396       9.600461  
1 1 1 13  26  12 o 98.036  2.7866  5208.64    295.889  5420.17    423.498  5006.90    413.579  99.972  3.9111  96.083  3.9741  3.889023       5.575889  
1 1 1 13  26  13 o 239.504 4.4832  31129.30   1162.98  31028.21   1645.11  31230.29   1644.29  238.864 6.3588  239.644 6.3349  -0.7803345     8.975812  
1 1 1 13  26  14 o 223.865 4.1475  27194.54   1005.64  28222.73   1423.88  26171.21   1420.52  227.845 5.7698  219.377 5.9784  8.468475       8.308558  
1 1 1 13  26  15 o 249.668 4.5037  33851.45   1217.88  35741.45   1724.01  31968.75   1720.68  256.221 6.2124  242.248 6.5580  13.97302       9.033293  
1 1 1 13  26  16 o 208.775 4.0167  23668.41   908.277  24562.07   1284.72  22775.37   1284.28  212.413 5.5841  204.500 5.7982  7.913055       8.049969  
1 1 1 13  26  17 o 129.143 3.6013  9057.11    503.727  9278.36    616.023  8610.63    875.083  130.627 4.3541  125.370 6.4665  5.256844       7.795714  
1 1 1 13  26  18 o 135.866 3.1593  10024.89   464.919  10579.02   658.663  9474.68    656.332  139.393 4.3627  131.879 4.5949  7.514557       6.336101  
1 1 1 13  26  19 o 78.449  2.8644  3342.96    243.382  3573.69    340.869  3103.01    347.618  81.008  3.8850  75.321  4.2787  5.686363       5.779303  
1 1 1 13  26  20 o 89.890  2.8625  4392.67    278.694  4626.93    391.020  4150.81    397.321  92.101  3.9198  87.186  4.2075  4.914902       5.750464  
1 1 1 13  26  21 o 52.978  3.6262  1538.19    206.822  1615.69    304.070  1471.46    282.141  53.956  5.2704  51.504  5.1259  2.452709       7.351959  
1 1 1 13  26  22 o 88.494  2.7946  4263.98    267.858  4325.18    422.019  4222.69    346.627  88.777  4.3889  87.900  3.6409  0.8774490      5.702513  
1 1 1 13  26  23 o 30.889  5.5893  544.967    180.108  612.217    243.465  463.676    267.676  32.371  7.1362  28.165  8.2467  4.205492       10.90567  
1 1 1 13  26  24 o 12.701  5.7537  -87.2630   170.475  -181.2017  221.558  49.060     266.901  13.499  6.2754  18.538  7.8048  -5.038651      10.01480  
1 1 1 13  26  25 o 41.677  2.0354  945.303    91.878   1075.05    319.346  933.594    95.934   42.798  7.1408  41.351  2.1494  1.446930       7.457259  
1 1 1 13  26  26 o 61.992  5.0287  2167.79    334.731  2702.42    477.683  1651.99    469.194  68.361  6.5310  52.093  8.6171  16.26852       10.81237  
1 1 1 13  26  27 o 23.225  8.3687  301.749    269.058  288.929    422.935  310.465    348.725  25.036  10.105  24.404  9.3796  0.6328545      13.78747  
1 1 1 13  26  28 f 16.845  7.2577  40.633     240.270  269.150    305.570  -329.4851  388.886  22.348  8.7268  16.583  7.8926  5.764696       11.76655  
1 1 1 13  26  29 o 33.834  1.6078  624.965    58.919   386.670    360.733  631.497    59.721   24.461  9.5013  34.008  1.6213  -9.547462      9.638629  
1 1 1 13  26  30 f 38.649  6.5157  948.399    263.049  1158.92    334.991  609.825    424.827  41.634  7.7127  27.759  10.425  13.87508       12.96815  
1 1 1 13  26  31 o 20.247  8.5569  218.305    322.773  74.670     390.299  529.083    574.107  19.240  8.7118  25.375  11.073  -6.135469      14.08955  
1 1 1 13  26  32 o 25.065  9.3645  506.386    341.902  318.158    414.657  906.131    604.281  22.031  9.5131  28.811  11.907  -6.780142      15.24041  
1 1 1 13  27  0  o 424.222 7.8496  97748.82   3606.70  98032.55   4282.14  97056.14   6690.71  424.582 9.3117  421.170 14.667  3.412048       17.37330  
1 1 1 13  27  1  o 451.539 7.4642  110717.40  3650.48  113633.30  4214.21  101953.40  7306.12  457.260 8.5091  431.313 15.640  25.94684       17.80448  
1 1 1 13  27  2  o 249.965 6.4387  33908.35   1743.21  36365.55   2466.36  31455.49   2464.18  258.628 8.8046  240.463 9.4614  18.16536       12.92435  
1 1 1 13  27  3  o 191.624 5.3457  19915.37   1109.49  20729.56   1567.00  19096.88   1571.13  195.367 7.4054  187.492 7.7368  7.875977       10.70968  
1 1 1 13  27  4  o 56.354  4.5290  1732.86    274.101  1410.92    363.917  2154.96    416.695  50.523  6.8249  62.709  6.2170  -12.18529      9.232056  
1 1 1 13  27  5  o 282.635 7.0966  43386.13   2172.44  47148.11   3073.85  39631.78   3070.74  294.274 9.6441  269.665 10.514  24.60962       14.26682  
1 1 1 13  27  6  o 160.055 3.9605  13886.80   686.584  13991.22   1200.33  13836.02   837.037  160.498 6.9050  159.725 4.8384  0.7732391      8.431412  
1 1 1 13  27  7  o 299.505 5.3508  48671.13   1735.78  48881.91   2454.90  48460.39   2454.64  299.870 7.5584  298.570 7.5905  1.300537       10.71193  
1 1 1 13  27  8  o 362.123 6.1041  71202.08   2394.12  70931.75   3386.09  71472.31   3385.50  360.955 8.6611  362.335 8.6266  -1.380371      12.22433  
1 1 1 13  27  9  o 115.780 2.8839  7264.00    361.648  7592.02    515.060  6945.03    507.911  118.330 4.0188  113.171 4.1436  5.158661       5.772366  
1 1 1 13  27  10 o 28.689  3.7976  454.026    115.102  438.828    167.731  467.551    158.240  27.921  5.7383  28.906  5.2475  -0.9854164     7.775923  
1 1 1 13  27  11 o 194.746 3.7798  20564.25   797.267  21913.01   1130.06  19227.59   1124.97  200.921 5.1928  188.179 5.5195  12.74199       7.578289  
1 1 1 13  27  12 o 225.525 4.2979  27592.17   1049.83  27939.33   1486.15  27246.38   1483.24  226.746 6.0514  223.908 6.1160  2.837799       8.603770  
1 1 1 13  27  13 o 294.357 5.3009  47063.52   1690.02  45528.29   2390.91  48596.54   2389.18  289.054 7.6368  298.695 7.3850  -9.640869      10.62354  
1 1 1 13  27  14 o 148.833 3.2592  12011.19   525.396  12703.50   745.570  11328.27   740.500  152.975 4.4998  144.439 4.7334  8.535828       6.530953  
1 1 1 13  27  15 o 157.767 3.2958  13500.19   563.178  14881.79   799.069  12136.53   793.863  165.538 4.4567  149.448 4.9044  16.09044       6.626889  
1 1 1 13  27  16 o 94.412  2.9047  4834.32    297.030  5238.70    418.819  4425.10    421.319  98.222  3.9369  90.249  4.3102  7.972900       5.837540  
1 1 1 13  27  17 o 114.864 3.4942  7164.68    434.709  7397.53    536.917  6721.58    740.653  116.639 4.2501  110.761 6.1988  5.877800       7.515825  
1 1 1 13  27  18 o 144.699 3.7613  11385.80   589.483  13014.25   1021.00  10571.53   721.971  154.179 6.1141  139.251 4.7869  14.92863       7.765045  
1 1 1 13  27  19 f 34.288  4.4483  652.024    161.307  874.641    222.048  403.259    234.726  39.634  5.3058  26.681  7.6969  12.95291       9.348457  
1 1 1 13  27  20 o 66.466  2.4789  2399.49    178.452  2907.67    308.773  2144.62    218.670  72.901  3.9250  62.690  3.2315  10.21083       5.084119  
1 1 1 13  27  21 o 19.792  6.2200  215.031    148.606  205.676    216.575  223.354    204.285  20.789  7.5056  21.015  7.3175  -0.2257595     10.48233  
1 1 1 13  27  22 o 25.036  6.4137  362.371    174.694  494.401    242.377  219.634    252.013  29.094  7.6061  21.807  8.0610  7.286888       11.08299  
1 1 1 13  27  23 o 91.665  3.0744  4586.09    305.234  5081.12    426.487  4066.27    437.039  96.196  4.0933  85.738  4.7245  10.45869       6.251112  
1 1 1 13  27  24 o 89.977  2.8737  4421.01    280.054  4936.66    427.376  4032.96    370.746  94.647  4.1690  85.605  3.9986  9.041107       5.776627  
1 1 1 13  27  25 o 74.644  3.5823  3064.68    289.623  3305.25    415.376  2837.05    404.036  76.801  5.0211  70.998  5.2921  5.802734       7.295107  
1 1 1 13  27  26 o 36.426  7.0131  789.675    266.652  911.501    367.801  654.697    387.147  38.212  9.0299  32.198  10.027  6.013763       13.49344  
1 1 1 13  27  27 o 65.308  5.3126  2442.38    372.532  2923.92    504.650  1865.74    552.242  70.404  6.6987  53.643  9.8684  16.76047       11.92721  
1 1 1 13  27  28 o 53.244  4.6659  1633.06    266.362  1755.11    360.733  1486.72    394.979  53.945  6.2922  48.337  7.8107  5.608089       10.02991  
1 1 1 13  27  29 o 16.913  7.2058  72.525     232.033  151.232    310.341  -27.2469   349.411  19.858  8.3913  18.196  8.2406  1.662006       11.76100  
1 1 1 13  27  30 o 14.748  7.0314  -250.5276  311.510  287.558    476.986  -650.7126  411.349  23.158  10.100  14.464  7.1503  8.694285       12.37479  
1 1 1 13  27  31 o 22.758  9.5667  350.278    399.992  356.682    477.250  335.158    733.271  23.189  10.108  24.088  11.270  -0.8984070     15.13906  
1 1 1 13  27  32 o 38.856  8.7957  1132.45    361.549  1394.13    445.925  630.387    617.668  41.390  10.048  25.754  11.355  15.63572       15.16218  
1 1 1 13  28  0  o 350.783 6.1467  66762.21   2335.35  66729.27   2694.95  66861.55   4679.48  350.587 7.0972  350.053 12.342  0.5346375      14.23729  
1 1 1 13  28  1  f 110.968 3.2888  6672.32    395.281  6901.73    478.614  6180.12    701.057  112.847 3.9158  106.553 6.1000  6.294495       7.248674  
1 1 1 13  28  2  o 339.053 9.5306  62548.32   3499.91  64588.26   4222.26  58068.73   6256.86  344.205 11.326  324.307 17.882  19.89758       21.16662  
1 1 1 13  28  3  o 287.919 7.2228  45018.94   2252.39  42850.88   3183.74  47191.41   3186.98  280.468 10.481  294.409 9.9944  -13.94046      14.48209  
1 1 1 13  28  4  o 221.641 5.9042  26655.54   1417.36  26980.57   2004.28  26330.41   2004.61  222.775 8.3066  220.064 8.4103  2.711136       11.82083  
1 1 1 13  28  5  o 171.489 5.4429  15954.11   1010.97  15357.57   1617.62  16336.45   1295.03  167.769 8.9343  173.440 6.8938  -5.670868      11.28483  
1 1 1 13  28  6  f 183.031 5.1750  18173.07   1025.89  19316.66   1451.73  17032.31   1449.93  188.560 7.1083  177.022 7.5622  11.53741       10.37858  
1 1 1 13  28  7  o 167.849 3.5272  15270.06   641.231  15076.74   904.962  15464.99   908.726  166.712 5.0118  168.847 4.9690  -2.135345      7.057562  
1 1 1 13  28  8  o 220.172 4.1565  26284.86   991.205  26236.97   1400.71  26332.90   1402.84  219.834 5.8828  220.236 5.8810  -0.4017334     8.318253  
1 1 1 13  28  9  o 429.982 7.2078  100522.60  3356.78  104552.70  4748.22  96496.02   4746.19  437.710 10.016  420.374 10.424  17.33591       14.45592  
1 1 1 13  28  10 o 175.229 3.4692  16644.75   658.420  16771.58   933.330  16519.10   928.978  175.809 4.9014  174.480 4.9158  1.329346       6.941818  
1 1 1 13  28  11 o 220.503 4.2733  26373.15   1020.59  26712.00   1445.00  26035.85   1441.67  221.742 6.0166  218.910 6.0804  2.831802       8.553953  
1 1 1 13  28  12 f 319.785 5.7152  55554.66   1979.51  56029.38   2800.35  55080.55   2798.55  320.651 8.0632  317.908 8.1276  2.742462       11.44872  
1 1 1 13  28  13 o 90.542  2.8467  4443.53    279.168  4077.00    395.784  4806.45    393.830  86.682  4.2156  94.132  3.8628  -7.450203      5.717718  
1 1 1 13  28  14 o 91.861  2.6937  4573.89    268.006  4616.19    405.513  4541.08    357.119  92.233  4.0593  91.499  3.6035  0.7340317      5.427986  
1 1 1 13  28  15 o 203.611 3.8949  22501.01   858.943  23078.72   1216.40  21926.47   1213.06  205.990 5.4521  200.762 5.5787  5.228409       7.800419  
1 1 1 13  28  16 o 178.885 3.6904  17372.31   715.025  19450.11   966.143  14856.03   1063.21  189.133 4.7163  165.098 5.9457  24.03416       7.589180  
1 1 1 13  28  17 o 95.489  3.3634  4951.16    347.864  5138.32    424.014  4565.85    608.388  97.221  4.0267  91.204  6.1956  6.017593       7.389135  
1 1 1 13  28  18 o 37.088  4.9174  763.243    192.660  1002.06    326.044  635.121    238.811  42.069  7.4271  33.419  6.8283  8.649956       10.08903  
1 1 1 13  28  19 o 55.814  3.2295  1699.69    194.398  1947.92    270.062  1432.74    280.052  59.618  4.2094  50.914  5.1492  8.703339       6.650814  
1 1 1 13  28  20 o 11.939  5.2653  -37.8440   132.920  -45.8484   189.762  -30.1338   186.242  14.366  6.3151  14.507  6.3194  -0.1403074     8.933957  
1 1 1 13  28  21 o ?       ?       -155.7797  35.517   -173.5258  224.858  -155.3256  35.968   13.845  6.3962  ?       ?       0.000000       6.396218  
1 1 1 13  28  22 o 69.267  3.2673  2618.25    245.121  2545.93    349.616  2688.17    343.765  67.847  4.7884  69.788  4.5732  -1.941360      6.621340  
1 1 1 13  28  23 o 44.700  1.5603  1084.32    75.544   680.902    273.828  1117.55    78.594   34.017  7.6212  45.378  1.5991  -11.36104      7.787133  
1 1 1 13  28  24 o 20.239  6.9349  217.924    183.140  401.131    251.838  12.292     266.806  26.210  8.0745  17.886  7.6762  8.323217       11.14103  
1 1 1 13  28  25 o 42.564  4.9352  1023.03    223.293  1090.28    285.695  917.450    357.954  43.446  6.2512  38.703  8.7451  4.743435       10.74968  
1 1 1 13  28  26 o 63.962  4.0385  2275.98    278.341  2504.63    404.862  2071.04    383.291  66.263  5.6965  60.066  5.9707  6.197666       8.252221  
1 1 1 13  28  27 o 20.499  8.5391  129.129    314.351  45.645     455.619  204.973    434.269  22.191  9.7694  23.828  9.9898  -1.636290      13.97275  
1 1 1 13  28  28 o 20.947  8.0865  236.027    260.054  582.816    384.903  -55.2311   352.742  28.788  10.043  18.235  8.2670  10.55379       13.00799  
1 1 1 13  28  29 o 16.271  7.1279  23.618     239.931  284.353    327.042  -280.2877  353.079  22.314  8.9284  15.773  7.5107  6.541067       11.66739  
1 1 1 13  28  30 o 30.012  8.7619  656.241    302.558  771.312    428.203  541.515    427.560  30.538  10.596  26.415  10.321  4.123383       14.79187  
1 1 1 13  28  31 o 20.838  8.7340  254.485    331.809  262.673    389.565  232.850    633.267  21.436  9.2387  22.837  10.614  -1.400547      14.07160  
1 1 1 13  29  0  f 84.916  2.8779  3906.60    264.689  4143.29    300.454  3086.15    559.379  87.446  3.1722  75.078  6.9581  12.36833       7.647075  
1 1 1 13  29  1  o 202.341 5.5257  22207.17   1210.99  23042.15   1713.51  21373.95   1711.69  205.958 7.6813  198.339 7.9680  7.618515       11.06758  
1 1 1 13  29  2  o 37.522  5.2568  778.431    207.774  701.116    291.811  857.931    295.905  35.235  7.8477  39.128  7.2492  -3.893055      10.68354  
1 1 1 13  29  3  o 426.650 10.181  99142.11   4704.58  89656.36   6651.80  108636.40  6654.78  404.320 15.189  445.556 13.790  -41.23611      20.51541  
1 1 1 13  29  4  o 414.552 9.9768  93599.48   4479.62  96045.88   6335.97  91154.36   6334.30  418.794 13.968  407.869 14.339  10.92508       20.01769  
1 1 1 13  29  5  o 345.858 8.4535  65062.21   3166.69  58740.21   4477.60  71388.58   4479.15  327.753 12.613  361.631 11.436  -33.87817      17.02555  
1 1 1 13  29  6  o 358.381 9.9165  69999.80   3849.22  62109.50   6910.58  73548.94   4634.77  334.175 19.173  366.907 11.663  -32.73203      22.44160  
1 1 1 13  29  7  o 130.702 3.4385  9258.87    486.773  8973.89    902.438  9375.80    578.080  128.377 6.5116  131.504 4.0586  -3.127197      7.672858  
1 1 1 13  29  8  o 149.403 3.2245  12097.32   521.781  12536.21   738.940  11660.88   736.883  152.035 4.4874  146.624 4.6401  5.411301       6.454998  
1 1 1 13  29  9  o 73.310  2.6145  2912.03    207.597  3292.59    297.133  2549.12    290.163  77.936  3.5200  68.455  3.9300  9.481773       5.275915  
1 1 1 13  29  10 o 154.211 3.1776  12889.42   530.747  14238.35   754.430  11567.60   746.809  162.023 4.2990  146.016 4.7221  16.00719       6.385946  
1 1 1 13  29  11 o 344.263 5.8949  64381.47   2198.07  66171.27   3109.89  62594.79   3107.18  348.504 8.2389  338.899 8.4650  9.605499       11.81249  
1 1 1 13  29  12 o 425.001 7.3744  98343.66   3394.57  98068.49   4801.43  98618.66   4799.87  423.258 10.474  424.458 10.441  -1.199921      14.78854  
1 1 1 13  29  13 o 201.243 3.8741  21968.78   844.431  22727.35   1195.77  21214.18   1192.65  204.528 5.3979  197.581 5.5731  6.946976       7.758638  
1 1 1 13  29  14 o 309.944 5.3922  52215.78   1810.16  55825.88   2561.41  48613.90   2558.50  319.963 7.3911  298.431 7.9154  21.53259       10.82966  
1 1 1 13  29  15 o 144.097 3.2119  11262.31   501.283  12769.56   692.733  9605.46    726.300  153.355 4.1706  132.924 5.0448  20.43030       6.545496  
1 1 1 13  29  16 o 169.568 3.5294  15608.16   648.217  16363.41   920.198  14864.24   913.276  173.433 4.8987  165.266 5.1021  8.167252       7.073067  
1 1 1 13  29  17 o 88.523  3.3235  4255.33    318.651  4440.63    386.604  3862.72    562.737  90.379  3.9494  83.828  6.2427  6.551445       7.387071  
1 1 1 13  29  18 o 82.992  2.9725  3740.64    267.199  4089.44    522.621  3617.20    310.906  86.284  5.6230  81.565  3.5193  4.718956       6.633474  
1 1 1 13  29  19 o 69.087  2.9990  2594.51    224.413  2805.32    312.423  2369.80    322.555  71.619  4.0441  65.714  4.5601  5.904617       6.095018  
1 1 1 13  29  20 o 91.717  2.9199  4575.26    290.060  5125.73    419.556  4071.27    401.456  96.895  3.9978  86.302  4.2949  10.59344       5.867527  
1 1 1 13  29  21 o 26.577  5.7549  404.646    160.863  591.104    214.768  166.357    242.790  32.109  6.4001  20.435  7.8329  11.67459       10.11509  
1 1 1 13  29  22 o 31.693  0.8884  544.276    30.497   -40.3326   230.874  554.658    30.767   15.969  6.9941  31.994  0.8879  -16.02448      7.050207  
1 1 1 13  29  23 o 65.513  3.4625  2354.93    244.821  2287.50    330.774  2436.61    364.074  64.185  4.7926  66.141  5.1221  -1.955681      7.014609  
1 1 1 13  29  24 o 90.008  3.1138  4432.57    303.564  4665.54    422.847  4184.80    436.066  91.942  4.2462  86.796  4.6555  5.145409       6.301106  
1 1 1 13  29  25 o 122.822 3.1695  8273.69    421.636  8801.69    599.535  7756.99    593.084  125.950 4.3949  118.079 4.6374  7.871002       6.389062  
1 1 1 13  29  26 o 60.946  2.5149  2030.34    166.010  2027.99    391.347  2030.86    183.321  59.275  6.1868  60.891  2.7796  -1.616127      6.782561  
1 1 1 13  29  27 o 23.054  8.9130  272.439    316.294  171.026    456.724  365.900    438.450  23.642  10.092  26.167  10.381  -2.525723      14.47778  
1 1 1 13  29  28 o 25.669  9.2567  435.487    329.276  493.329    472.763  380.991    458.880  27.150  10.776  25.420  10.426  1.730072       14.99463  
1 1 1 13  29  29 o 30.938  2.0240  527.365    67.447   788.527    363.042  518.029    68.642   32.792  9.6048  30.647  2.0802  2.145418       9.827480  
1 1 1 13  29  30 o 34.811  8.8059  877.005    332.259  1457.57    514.979  462.991    434.880  41.990  11.140  25.117  10.208  16.87370       15.10969  
1 1 1 13  29  31 o 21.330  8.7518  290.788    323.482  492.063    376.085  -281.5493  634.186  24.892  9.6923  19.578  9.5074  5.314165       13.57686  
1 1 1 13  30  0  o 89.420  2.6101  4331.77    252.793  4470.80    286.423  3841.84    537.687  90.840  2.9111  83.939  5.9528  6.900948       6.626516  
1 1 1 13  30  1  o 107.712 4.0860  6288.64    476.692  6887.40    676.105  5696.79    672.199  112.682 5.5398  102.282 6.0954  10.39958       8.236705  
1 1 1 13  30  2  o 317.681 7.8228  54836.91   2691.68  48665.17   3805.32  61017.05   3807.91  298.642 11.764  334.656 10.506  -36.01364      15.77236  
1 1 1 13  30  3  o 187.980 5.9239  19174.40   1206.11  19013.30   1521.20  19447.12   1979.20  187.076 7.5076  188.751 9.7142  -1.674667      12.27716  
1 1 1 13  30  4  o 162.857 5.1405  14385.81   906.743  12943.19   1424.05  15369.52   1175.93  154.025 8.5701  168.257 6.4527  -14.23183      10.72768  
1 1 1 13  30  5  o 108.975 4.1093  6438.10    485.026  5605.29    683.248  7284.10    688.644  101.421 6.2503  115.866 5.4874  -14.44514      8.317338  
1 1 1 13  30  6  o 153.638 4.6924  12801.81   780.844  13080.08   1104.65  12523.92   1103.91  155.190 6.5719  151.846 6.7121  3.344513       9.393746  
1 1 1 13  30  7  o 263.326 5.5591  37633.27   1585.50  35034.65   2753.87  38921.71   1939.12  253.452 10.032  267.666 6.6887  -14.21359      12.05712  
1 1 1 13  30  8  o 237.236 4.8296  30531.89   1240.97  33160.23   2159.93  29236.77   1516.19  246.853 8.0785  232.038 6.0329  14.81551       10.08256  
1 1 1 13  30  9  o 324.079 5.9228  57034.86   2078.96  56956.16   2940.32  57113.54   2939.85  323.406 8.3941  323.855 8.3812  -0.4492798     11.86194  
1 1 1 13  30  10 o 120.830 2.9333  7912.38    383.892  8696.58    547.854  7155.89    538.088  126.638 3.9942  114.860 4.3253  11.77724       5.887416  
1 1 1 13  30  11 o 211.493 3.9772  24258.14   911.057  25280.43   1291.03  23244.05   1285.85  215.759 5.5245  206.865 5.7390  8.894989       7.965931  
1 1 1 13  30  12 o 78.735  2.7526  3359.79    234.738  4012.86    340.040  2765.24    324.448  86.023  3.6496  71.269  4.2220  14.75436       5.580742  
1 1 1 13  30  13 o 188.984 3.6994  19371.33   757.218  21163.35   1074.18  17601.22   1067.59  197.404 5.0240  179.977 5.4767  17.42612       7.431989  
1 1 1 13  30  14 o 55.498  2.9779  1674.76    178.348  1937.82    259.526  1439.36    245.503  59.618  4.0430  51.294  4.4634  8.323845       6.022303  
1 1 1 13  30  15 o 153.177 3.2375  12727.52   537.122  14527.33   763.414  10963.19   755.852  163.546 4.3097  142.012 4.9141  21.53375       6.536212  
1 1 1 13  30  16 o 234.092 4.5520  29798.11   1154.13  32268.10   1534.07  26576.82   1751.92  243.285 5.8218  220.358 7.3403  22.92699       9.368773  
1 1 1 13  30  17 o 113.455 3.4484  6992.23    423.750  7374.34    517.344  6213.26    738.670  116.439 4.1021  106.355 6.4428  10.08423       7.637870  
1 1 1 13  30  18 o 28.572  5.9841  463.774    179.251  242.659    307.091  578.045    220.762  23.771  8.8762  31.867  6.6128  -8.095222      11.06871  
1 1 1 13  30  19 o 125.501 3.0606  8563.91    416.028  9068.52    587.096  8054.96    589.618  128.917 4.2047  121.436 4.4828  7.480095       6.146125  
1 1 1 13  30  20 o 46.809  2.3118  1189.86    117.207  1707.48    269.996  1069.66    130.106  55.680  4.5159  44.275  2.7264  11.40524       5.275102  
1 1 1 13  30  21 f 57.431  3.5599  1806.96    220.345  2064.36    297.848  1495.79    327.486  61.193  4.5260  51.670  5.9611  9.522511       7.484589  
1 1 1 13  30  22 o 63.083  3.3705  2179.22    229.455  2493.32    305.077  1770.10    348.173  67.287  4.2072  56.199  5.8036  11.08836       7.168157  
1 1 1 13  30  23 o 79.326  3.1223  3437.38    268.263  3705.70    367.795  3132.37    392.136  81.993  4.1551  75.126  4.8451  6.866928       6.382750  
1 1 1 13  30  24 o 10.786  2.6867  65.985     31.270   -297.9819  225.416  73.126     31.576   12.326  5.9049  11.354  2.6208  0.9715223      6.460402  
1 1 1 13  30  25 o 17.036  6.9613  78.009     203.600  80.166     304.637  76.269     273.708  19.901  8.3565  19.026  7.9503  0.8751850      11.53419  
1 1 1 13  30  26 o 50.069  4.8122  1416.75    257.751  1800.47    378.610  1085.28    351.884  55.661  6.3964  42.243  7.9834  13.41740       10.22979  
1 1 1 13  30  27 o 19.770  7.8282  170.127    248.908  145.559    367.253  191.000    338.519  21.664  9.1401  21.857  8.9588  -0.1925278     12.79844  
1 1 1 13  30  28 o 40.367  8.2533  1074.42    348.669  1658.96    495.823  502.578    490.408  48.815  9.7194  27.277  10.927  21.53818       14.62385  
1 1 1 13  30  29 o 29.499  8.5491  606.438    288.982  848.632    457.384  445.521    372.821  32.537  10.960  25.424  9.7157  7.112850       14.64664  
1 1 1 13  30  30 o 19.249  8.5840  81.482     363.169  107.867    416.608  -2.0312    741.181  20.333  9.1215  22.811  10.867  -2.477144      14.18811  
1 1 1 13  30  31 o 14.981  7.2127  -287.2377  345.954  -328.4952  416.601  -195.5784  620.951  16.144  7.8079  19.895  9.6002  -3.751057      12.37446  
1 1 1 13  31  0  o 211.016 3.8548  24133.29   881.013  24101.11   1014.63  24231.91   1776.17  210.847 4.4429  211.188 7.7651  -0.3409424     8.946275  
1 1 1 13  31  1  o 442.932 10.613  106901.00  5091.33  103017.90  7199.98  110784.70  7200.47  433.370 15.339  449.612 14.786  -16.24191      21.30538  
1 1 1 13  31  2  o 445.246 10.686  108046.30  5153.28  102008.20  7288.37  114082.60  7287.32  431.075 15.610  456.204 14.748  -25.12912      21.47524  
1 1 1 13  31  3  f 94.997  4.0058  4891.74    412.165  4628.49    574.905  5170.14    591.215  92.178  5.7878  97.457  5.6249  -5.279030      8.070770  
1 1 1 13  31  4  o 282.598 7.0791  43382.06   2166.78  37658.51   3062.57  49118.46   3066.00  262.770 10.761  300.346 9.4250  -37.57700      14.30465  
1 1 1 13  31  5  o 202.005 5.5321  22142.06   1210.37  22100.78   1712.03  22183.32   1711.42  201.616 7.8400  201.994 7.8225  -0.3779144     11.07509  
1 1 1 13  31  6  o 157.939 4.7619  13529.58   814.593  13330.99   1151.98  13728.21   1152.04  156.652 6.7895  158.976 6.6906  -2.323837      9.532110  
1 1 1 13  31  7  o 146.946 4.5923  11711.43   730.893  11756.97   1034.15  11665.99   1033.13  147.121 6.4899  146.549 6.5088  0.5716095      9.191471  
1 1 1 13  31  8  o 125.461 3.3445  8531.50    454.472  8656.55    827.710  8477.52    543.773  126.256 6.0528  125.040 4.0151  1.215858       7.263419  
1 1 1 13  31  9  o 167.361 4.0301  15188.45   730.525  16370.31   1278.13  14615.03   890.276  173.542 6.7998  164.113 5.0085  9.429092       8.445302  
1 1 1 13  31  10 o 128.199 2.9666  8907.08    411.927  9835.00    586.821  8005.67    578.375  134.669 4.0232  121.485 4.3956  13.18433       5.958780  
1 1 1 13  31  11 o 73.012  2.6903  2888.84    212.747  3455.91    308.516  2374.70    293.765  79.837  3.5678  66.039  4.1278  13.79845       5.456003  
1 1 1 13  31  12 o 156.606 3.4225  13298.08   580.531  12941.64   823.936  13649.47   818.085  154.393 4.9272  158.572 4.7632  -4.179062      6.853134  
1 1 1 13  31  13 o 120.243 2.9645  7837.89    386.082  8078.22    552.717  7608.89    539.526  122.011 4.1825  118.413 4.2067  3.598724       5.932074  
1 1 1 13  31  14 o 125.964 3.0012  8603.34    409.458  9460.60    584.760  7778.70    573.525  132.022 4.0894  119.689 4.4241  12.33236       6.024632  
1 1 1 13  31  15 o 65.691  2.2292  2338.90    158.609  2887.63    290.022  2104.76    189.450  72.847  3.6878  62.302  2.8075  10.54557       4.634868  
1 1 1 13  31  16 o 61.130  3.0377  2027.62    201.128  2645.13    294.383  1487.02    275.439  69.668  3.9172  52.037  4.9465  17.63047       6.309701  
1 1 1 13  31  17 o 116.354 3.0161  7349.68    380.107  8057.25    536.650  6637.34    538.459  121.704 4.0711  110.407 4.5029  11.29797       6.070405  
1 1 1 13  31  18 o 85.047  3.3541  3932.48    308.959  3754.02    534.010  4022.28    378.794  82.525  6.0158  85.933  4.0698  -3.407341      7.263145  
1 1 1 13  31  19 o 40.344  3.6131  893.519    156.212  1080.24    216.637  691.283    225.460  44.226  4.5894  34.940  6.1840  9.285858       7.700928  
1 1 1 13  31  20 o 23.331  6.2518  311.232    161.181  461.920    216.012  121.945    242.102  28.291  7.0695  19.488  7.7192  8.802437       10.46731  
1 1 1 13  31  21 o 25.610  5.8992  377.069    160.262  455.622    198.872  231.570    270.659  28.070  6.6443  22.519  8.3479  5.551670       10.66936  
1 1 1 13  31  22 o 33.214  5.1204  622.547    178.284  694.899    243.267  538.597    262.042  34.695  6.7164  30.275  7.9056  4.419928       10.37346  
1 1 1 13  31  23 o 88.855  3.0930  4312.93    297.666  4498.26    414.851  4116.26    427.354  90.402  4.2368  86.243  4.5915  4.159042       6.247641  
1 1 1 13  31  24 o 34.634  5.0609  680.570    184.245  625.423    243.467  754.474    281.849  32.525  7.1095  35.643  7.5364  -3.117504      10.36066  
1 1 1 13  31  25 o 39.965  5.7266  917.664    240.796  803.426    327.336  1052.39    355.476  36.207  8.4936  41.734  8.1565  -5.526875      11.77577  
1 1 1 13  31  26 o 23.502  7.6710  323.409    224.480  410.391    315.476  234.201    319.487  26.355  9.0981  22.729  8.9102  3.625906       12.73447  
1 1 1 13  31  27 o 57.477  4.5001  1876.68    277.914  2182.80    385.755  1546.34    400.732  61.017  5.9111  50.036  7.6363  10.98143       9.656815  
1 1 1 13  31  28 o 22.480  8.1885  309.951    258.609  269.669    292.820  452.752    551.336  21.924  8.5480  26.801  11.247  -4.876757      14.12678  
1 1 1 13  31  29 o 14.505  6.6935  -107.8397  245.204  -14.3455   290.637  -338.7462  456.748  16.932  7.6056  17.512  8.3940  -0.5803051     11.32713  
1 1 1 13  31  30 o 21.478  8.4181  290.400    285.130  406.158    320.883  -143.9511  621.575  23.929  9.0446  20.769  9.9104  3.160042       13.41720  
1 1 1 13  31  31 o 15.738  7.3008  -83.5747   297.442  -31.0250   338.245  -262.8175  624.693  17.158  7.8975  19.585  9.4934  -2.426331      12.34889  
1 1 1 13  32  0  o 411.421 10.632  92239.86   4737.96  92547.13   5405.01  91220.41   9845.17  411.723 12.121  404.184 22.579  7.539246       25.62694  
1 1 1 13  32  1  o 184.967 5.2149  18556.36   1044.75  16805.89   1477.13  20308.60   1477.87  175.864 7.7548  193.381 7.0559  -17.51630      10.48440  
1 1 1 13  32  2  o 195.844 5.4102  20806.50   1147.62  20415.32   1622.89  21197.78   1623.07  193.824 7.7306  197.516 7.5869  -3.692001      10.83155  
1 1 1 13  32  3  o 169.370 4.9015  15557.61   899.162  13849.41   1267.36  17288.90   1275.90  159.659 7.3289  178.440 6.6017  -18.78166      9.863779  
1 1 1 13  32  4  o 100.016 4.0687  5422.85    440.754  5136.33    620.545  5714.54    626.132  97.101  5.9288  102.465 5.6638  -5.363785      8.199382  
1 1 1 13  32  5  o 114.075 4.1548  7055.21    513.346  6957.71    722.727  7154.48    729.278  113.064 5.9224  114.659 5.8923  -1.594742      8.354270  
1 1 1 13  32  6  o 361.622 8.8239  71201.30   3456.10  72438.27   4888.83  69965.51   4886.49  363.797 12.407  357.468 12.621  6.328735       17.69820  
1 1 1 13  32  7  o 345.405 10.027  65081.56   3751.24  66402.84   6727.95  64485.51   4518.83  345.668 18.033  343.236 12.155  2.432587       21.74690  
1 1 1 13  32  8  o 147.786 3.7366  11840.61   598.112  11055.70   1050.29  12217.33   727.622  142.628 6.7988  150.084 4.4761  -7.456009      8.139987  
1 1 1 13  32  9  o 99.635  3.0503  5380.08    329.169  5111.97    544.601  5534.41    413.185  96.911  5.2075  101.033 3.7758  -4.122131      6.432336  
1 1 1 13  32  10 o 140.196 3.5816  10656.07   543.864  11566.00   966.864  10234.90   657.797  145.904 6.1183  137.358 4.4215  8.546173       7.548683  
1 1 1 13  32  11 o 119.594 2.9564  7752.13    382.946  7846.97    548.156  7661.72    535.210  120.272 4.2079  118.846 4.1579  1.425797       5.915617  
1 1 1 13  32  12 o 222.727 4.2487  26916.80   1024.95  25677.04   1451.32  28150.34   1447.68  217.305 6.1663  227.573 5.8733  -10.26804      8.515770  
1 1 1 13  32  13 o 129.958 3.0229  9156.22    425.503  10045.04   608.175  8303.99    595.527  136.056 4.1271  123.684 4.4455  12.37151       6.065877  
1 1 1 13  32  14 o 25.687  1.7965  359.246    49.668   471.341    197.636  351.690    51.315   28.852  6.4826  25.408  1.8780  3.444008       6.749102  
1 1 1 13  32  15 o 166.630 3.5057  15068.31   632.693  15666.94   897.049  14475.75   892.494  169.740 4.8794  163.136 5.0511  6.604202       7.022946  
1 1 1 13  32  16 o 201.270 3.9200  22012.37   854.541  23345.16   1210.00  20686.16   1207.01  206.962 5.3979  194.742 5.7224  12.21950       7.866616  
1 1 1 13  32  17 o 114.211 2.9533  7081.42    365.330  7320.20    517.512  6844.22    515.802  115.986 4.1195  112.135 4.2469  3.850975       5.916624  
1 1 1 13  32  18 o 151.169 3.8350  12442.06   627.912  12698.60   1089.98  12314.64   768.185  151.918 6.6243  150.187 4.7224  1.731415       8.135260  
1 1 1 13  32  19 o 30.382  1.2352  500.219    40.646   428.236    186.786  503.797    41.644   27.331  6.4192  30.490  1.2611  -3.158705      6.541913  
1 1 1 13  32  20 o 111.069 3.0777  6714.87    370.245  6665.36    518.441  6766.40    528.928  110.382 4.3364  111.201 4.3915  -0.8191757     6.171702  
1 1 1 13  32  21 o 55.174  3.4855  1668.20    207.219  1651.24    287.242  1686.61    299.230  54.576  4.9119  55.122  5.0688  -0.5450974     7.058314  
1 1 1 13  32  22 o 71.558  2.3630  2785.01    183.141  2684.45    320.170  2833.91    223.276  69.795  4.2556  72.112  2.8587  -2.316841      5.126649  
1 1 1 13  32  23 o 53.505  3.8522  1579.56    221.745  1679.03    295.191  1450.74    335.933  54.825  5.0271  50.495  6.2779  4.330482       8.042564  
1 1 1 13  32  24 o 42.417  4.6082  1008.25    208.304  1284.39    294.376  731.322    294.798  47.486  5.8470  34.909  7.9719  12.57783       9.886331  
1 1 1 13  32  25 o 4.3495  2.1058  -50.3599   30.507   192.439    245.389  -54.1715   30.746   20.637  7.8832  4.2846  2.0836  16.35286       8.153919  
1 1 1 13  32  26 o 52.537  4.3752  1550.54    246.701  1603.57    337.742  1489.88    361.215  52.607  6.0368  50.249  6.8125  2.357353       9.102397  
1 1 1 13  32  27 o 31.646  6.7301  614.769    223.585  599.643    296.830  634.606    339.930  30.289  8.6300  30.802  9.3610  -0.5127621     12.73199  
1 1 1 13  32  28 o 14.709  6.5102  -15.1396   204.990  154.046    252.372  -343.2012  351.429  19.014  7.7577  15.349  7.3585  3.665208       10.69245  
1 1 1 13  32  29 o 23.985  8.3085  386.512    263.204  530.153    317.045  67.987     472.120  27.194  9.1254  21.137  9.5753  6.056614       13.22722  
1 1 1 13  32  30 o 16.580  7.4019  16.334     270.826  116.716    302.272  -392.2157  609.807  18.655  8.0887  19.160  9.3087  -0.5049725     12.33204  
1 1 1 13  32  31 o 21.985  8.7443  329.389    311.866  411.512    357.306  66.709     639.034  23.552  9.3622  21.700  10.266  1.851612       13.89413  
1 1 1 13  33  0  o 243.303 7.5612  32162.63   1992.55  36390.91   3438.41  30024.79   2444.92  258.111 12.299  234.842 9.6121  23.26872       15.60981  
1 1 1 13  33  1  o 277.690 7.0475  41880.88   2119.67  43664.34   2996.08  40093.66   2999.24  283.164 9.7689  271.270 10.208  11.89386       14.12919  
1 1 1 13  33  2  o 180.244 5.1259  17621.63   1000.69  17750.68   1415.45  17492.67   1414.92  180.762 7.2297  179.439 7.2802  1.322449       10.26009  
1 1 1 13  33  3  o 47.466  4.7270  1233.91    239.785  1125.37    325.880  1362.06    354.090  45.003  6.9063  49.626  6.7638  -4.623520      9.666769  
1 1 1 13  33  4  o 263.837 6.7018  37806.40   1915.14  42389.04   2710.31  33236.62   2706.51  279.052 8.9673  246.923 10.120  32.12930       13.52133  
1 1 1 13  33  5  o 273.582 6.9548  40665.13   2060.84  39430.61   2914.56  41899.48   2914.36  268.931 10.006  277.278 9.7042  -8.346527      13.93884  
1 1 1 13  33  6  f 127.914 4.3428  8872.69    601.666  8004.67    849.695  9745.58    852.078  121.225 6.4951  133.985 5.8715  -12.76053      8.755615  
1 1 1 13  33  7  o 141.931 4.5295  10925.83   696.298  10629.78   985.091  11221.44   984.338  139.883 6.5019  143.735 6.3228  -3.852478      9.069346  
1 1 1 13  33  8  o 246.936 4.6665  33078.55   1248.10  36489.40   2171.78  31396.54   1525.10  258.970 7.7428  240.458 5.8558  18.51129       9.707780  
1 1 1 13  33  9  o 152.670 3.2397  12633.57   535.704  11818.65   1089.47  12893.42   615.215  147.445 6.8221  154.213 3.6833  -6.767929      7.752893  
1 1 1 13  33  10 o 188.320 3.5985  19227.92   733.991  19275.70   1488.59  19212.57   843.683  188.216 7.3021  188.210 4.1387  0.6484985E-02  8.393423  
1 1 1 13  33  11 o 96.421  3.0731  5039.50    320.935  5702.51    624.324  4801.38    374.155  102.300 5.6566  94.097  3.6712  8.202957       6.743474  
1 1 1 13  33  12 o 115.800 3.5449  7271.98    444.611  6375.67    790.630  7686.53    537.685  108.022 6.7922  119.024 4.1708  -11.00192      7.970525  
1 1 1 13  33  13 f 173.489 3.4966  16324.58   657.035  17526.29   933.657  15145.60   924.781  179.640 4.7986  166.962 5.1139  12.67819       7.012717  
1 1 1 13  33  14 o 21.507  5.3497  261.466    124.105  135.887    196.580  344.686    160.028  18.689  7.0756  24.675  6.0372  -5.985817      9.301187  
1 1 1 13  33  15 o 172.270 3.6474  16110.18   680.550  17041.83   921.344  14991.54   1009.58  177.024 4.8053  165.908 5.6183  11.11650       7.392976  
1 1 1 13  33  16 o 102.779 2.8261  5731.35    314.607  6566.24    447.843  4917.89    442.057  109.932 3.7612  95.091  4.2921  14.84090       5.706904  
1 1 1 13  33  17 o 10.270  4.7260  -92.5405   121.055  -22.2767   175.886  -155.7816  166.865  14.282  6.1813  11.627  5.4186  2.655004       8.220088  
1 1 1 13  33  18 o 34.322  4.8231  655.902    174.349  767.017    207.501  389.090    321.541  37.068  5.3209  27.193  9.1896  9.875555       10.61887  
1 1 1 13  33  19 o 51.043  3.3327  1424.26    183.238  1781.18    269.331  1116.69    250.020  56.925  4.4025  44.826  5.2490  12.09910       6.850814  
1 1 1 13  33  20 o 91.334  3.0208  4540.47    298.835  4934.52    424.246  4152.41    421.007  95.009  4.1227  86.970  4.4847  8.039787       6.091720  
1 1 1 13  33  21 o 66.368  2.4770  2395.25    178.052  2684.79    329.952  2276.30    211.488  69.825  4.3851  64.634  3.0210  5.191582       5.325015  
1 1 1 13  33  22 o 26.302  6.3050  401.230    177.281  682.589    247.252  103.542    254.325  34.306  6.8935  19.302  7.8203  15.00320       10.42490  
1 1 1 13  33  23 o 50.506  1.8056  1385.72    98.774   925.342    262.475  1461.67    106.611  40.181  6.2331  51.863  1.8979  -11.68280      6.515615  
1 1 1 13  33  24 o 45.798  4.5183  1172.67    221.204  1433.61    299.659  860.218    327.904  50.286  5.5968  37.790  8.2433  12.49605       9.963729  
1 1 1 13  33  25 o 56.811  3.8259  1789.57    234.042  1881.65    310.011  1667.54    356.889  57.792  5.0019  53.806  6.2398  3.986935       7.997198  
1 1 1 13  33  26 o 26.107  7.2313  414.286    211.496  509.640    282.323  292.336    319.276  28.608  8.4945  23.773  9.0132  4.835857       12.38524  
1 1 1 13  33  27 o 69.687  3.7211  2721.78    279.843  2822.52    381.417  2604.32    411.849  69.978  5.0666  66.621  5.7645  3.356911       7.674641  
1 1 1 13  33  28 o 20.727  7.3383  257.775    206.017  488.227    252.439  -201.8149  356.493  27.084  8.0302  16.686  7.8232  10.39786       11.21100  
1 1 1 13  33  29 o 14.960  6.8713  -91.0018   254.230  -167.1110  286.067  194.970    554.511  14.990  7.0217  23.276  10.476  -8.285573      12.61121  
1 1 1 13  33  30 o 21.701  8.8075  291.403    323.189  373.236    380.117  77.915     613.959  23.384  9.5284  22.069  10.321  1.314791       14.04710  
1 1 1 13  33  31 o 33.396  9.7433  899.464    374.238  982.471    457.424  731.426    650.829  33.000  10.959  27.145  11.819  5.855024       16.11819  
1 1 1 13  34  0  o 259.499 7.4752  36588.80   2101.01  38174.03   2573.65  33421.59   3637.81  264.868 8.9712  246.694 13.668  18.17386       16.34936  
1 1 1 13  34  1  o 321.028 11.707  56274.09   4070.52  60009.32   5756.59  52538.89   5756.58  330.307 16.091  308.233 17.313  22.07397       23.63599  
1 1 1 13  34  2  o 74.359  3.1749  2996.27    255.704  3259.18    453.383  2873.63    309.651  77.315  5.4490  72.702  3.9472  4.613029       6.728428  
1 1 1 13  34  3  o 232.389 6.7630  29331.40   1702.27  26377.99   2892.61  30896.09   2105.44  219.328 12.225  238.350 8.1556  -19.02208      14.69592  
1 1 1 13  34  4  o 76.077  4.0907  3146.85    335.834  3330.19    472.093  2959.02    477.840  78.136  5.6158  73.583  6.0492  4.552834       8.254061  
1 1 1 13  34  5  o 166.837 4.9163  15098.91   888.379  15082.53   1256.21  15115.29   1256.50  166.607 6.9615  166.788 6.9555  -0.1813354     9.840759  
1 1 1 13  34  6  o 493.599 11.795  133260.50  6305.92  130946.00  8918.75  135574.30  8917.08  486.758 16.917  495.461 16.617  -8.702881      23.71273  
1 1 1 13  34  7  o 350.358 8.5425  66840.17   3241.66  71182.23   4586.54  62506.24   4582.25  360.686 11.740  337.752 12.526  22.93417       17.16796  
1 1 1 13  34  8  o 143.947 4.5636  11239.89   711.514  10687.38   1007.61  11789.39   1004.86  140.236 6.6338  147.314 6.2979  -7.078003      9.147158  
1 1 1 13  34  9  o 237.819 5.3760  30703.22   1384.77  28761.54   3060.42  31203.10   1552.82  228.663 12.403  239.678 5.9817  -11.01591      13.77050  
1 1 1 13  34  10 o 212.468 4.2616  24487.56   980.700  22209.88   2508.83  24898.37   1065.48  200.969 11.575  214.214 4.5922  -13.24586      12.45250  
1 1 1 13  34  11 o 313.511 5.4845  53390.78   1862.36  53815.64   3737.23  53250.42   2148.08  313.318 11.013  312.940 6.3375  0.3780212      12.70608  
1 1 1 13  34  12 o 230.382 4.9714  28822.13   1240.51  29694.72   2162.30  28394.04   1514.54  233.218 8.5602  228.504 6.1195  4.714005       10.52264  
1 1 1 13  34  13 o 256.826 5.2231  35846.76   1452.91  39933.26   2530.32  33836.69   1774.62  270.243 8.6447  249.265 6.5731  20.97810       10.85988  
1 1 1 13  34  14 o 138.900 3.0681  10463.41   461.570  11852.54   659.944  9133.18    645.803  147.747 4.1240  129.654 4.5988  18.09286       6.177052  
1 1 1 13  34  15 o 100.447 2.8584  5472.50    310.981  5903.92    445.056  5060.89    434.713  104.258 3.9413  96.512  4.1586  7.746269       5.729548  
1 1 1 13  34  16 o 142.241 3.1906  10984.25   491.552  11986.06   696.946  9992.63    693.388  148.430 4.3352  135.468 4.7257  12.96216       6.412978  
1 1 1 13  34  17 o 83.423  2.5987  3776.85    234.806  4425.53    364.226  3315.54    307.154  90.202  3.7281  78.084  3.6318  12.11868       5.204663  
1 1 1 13  34  18 o 127.581 3.5895  8860.19    496.008  9423.26    594.167  7565.65    900.914  131.454 4.1732  116.801 7.1559  14.65334       8.283870  
1 1 1 13  34  19 o 91.547  2.7476  4555.23    272.434  5244.84    414.916  4032.62    361.204  98.049  3.9070  85.980  3.8787  12.06982       5.505367  
1 1 1 13  34  20 o 86.947  2.9881  4114.97    281.403  4161.66    398.018  4068.31    397.910  87.220  4.2132  86.227  4.2606  0.9935532      5.991998  
1 1 1 13  34  21 o 63.335  3.2394  2193.70    221.473  2331.75    305.669  2041.12    321.338  65.051  4.3637  60.695  4.9307  4.355953       6.584358  
1 1 1 13  34  22 o 109.570 3.0655  6550.90    363.800  7055.38    537.792  6125.27    493.978  113.267 4.3837  105.561 4.3205  7.706764       6.154969  
1 1 1 13  34  23 o 20.922  6.8175  242.033    177.337  93.691     248.342  396.377    253.316  18.831  7.6906  26.134  8.1060  -7.302942      11.17375  
1 1 1 13  34  24 o 21.129  7.2748  240.416    201.636  97.182     258.252  464.075    322.711  19.064  7.8208  28.066  9.1993  -9.002007      12.07440  
1 1 1 13  34  25 o 49.574  2.5952  1346.56    138.859  1759.19    321.883  1252.21    153.917  55.676  5.4059  47.708  2.9939  7.968895       6.179554  
1 1 1 13  34  26 o 32.849  2.5433  594.284    89.782   1066.12    299.582  547.724    94.107   42.332  6.7614  31.474  2.7895  10.85860       7.314245  
1 1 1 13  34  27 o 38.812  2.2193  828.186    92.909   1077.16    307.012  803.086    97.479   41.770  7.0362  38.178  2.3691  3.592052       7.424375  
1 1 1 13  34  28 f 29.475  2.7342  484.715    86.292   1155.58    279.740  414.166    90.716   43.578  6.0935  27.093  3.1502  16.48462       6.859608  
1 1 1 13  34  29 o 14.720  6.8847  -156.8536  273.267  -337.6000  344.386  150.416    449.024  14.978  7.2074  21.614  9.5974  -6.636165      12.00237  
1 1 1 13  34  30 o 27.116  8.9882  553.381    307.755  174.163    391.647  1165.53    497.598  20.633  9.0712  36.278  11.379  -15.64435      14.55209  
1 1 1 13  34  31 o 25.119  9.0836  486.285    317.400  468.215    365.343  541.901    640.943  24.533  9.5528  25.351  11.347  -0.8176022     14.83293  
1 1 1 13  35  0  o 434.431 10.409  102884.20  4897.59  109010.20  6927.20  96761.68   6925.29  445.860 14.345  419.733 15.233  26.12772       20.92420  
1 1 1 13  35  1  o 385.667 11.244  81181.45   4696.62  86295.35   8498.30  78932.71   5635.42  393.866 19.987  379.571 13.708  14.29492       24.23561  
1 1 1 13  35  2  o 359.529 8.7554  70341.03   3409.44  74151.73   4822.94  66534.33   4820.40  368.335 12.089  348.720 12.762  19.61432       17.57928  
1 1 1 13  35  3  o 403.784 9.7630  88841.31   4269.75  90013.68   6037.19  87668.05   6039.48  405.216 13.756  399.834 13.946  5.382050       19.58844  
1 1 1 13  35  4  o 46.922  4.8868  1207.14    244.709  1316.20    342.093  1092.85    350.192  48.781  6.6479  44.220  7.5847  4.560608       10.08580  
1 1 1 13  35  5  o 231.354 6.1014  29061.73   1528.89  27586.73   2161.88  30537.55   2162.48  225.081 8.8679  236.876 8.4287  -11.79477      12.23452  
1 1 1 13  35  6  o 116.888 4.2295  7408.80    535.462  7249.60    756.813  7568.38    757.702  115.386 6.0771  117.916 5.9520  -2.529305      8.506319  
1 1 1 13  35  7  o 210.772 5.7099  24118.57   1303.49  24226.73   1844.62  24010.70   1842.22  210.982 8.0722  210.036 8.0980  0.9461060      11.43407  
1 1 1 13  35  8  o 241.450 6.2971  31672.53   1646.78  32472.37   2330.98  30875.52   2326.83  244.107 8.8163  237.993 9.0267  6.113541       12.61785  
1 1 1 13  35  9  o 97.957  3.2584  5201.28    345.706  4307.46    622.593  5599.71    415.675  88.786  6.5199  101.624 3.7765  -12.83807      7.534606  
1 1 1 13  35  10 f 289.568 5.1270  45521.12   1608.01  42532.33   3230.64  46505.43   1853.98  278.752 10.700  292.573 5.8506  -13.82178      12.19543  
1 1 1 13  35  11 o 210.482 4.0322  24032.95   919.233  20068.91   1855.16  25322.92   1058.28  191.708 8.9345  216.010 4.5233  -24.30167      10.01427  
1 1 1 13  35  12 o 219.859 4.1383  26229.01   985.466  23740.74   1984.93  27042.97   1135.26  208.455 8.7915  223.182 4.6964  -14.72682      9.967259  
1 1 1 13  35  13 o 59.089  3.3639  1899.81    214.396  1799.41    432.691  1932.47    246.826  57.008  7.1660  59.553  3.8472  -2.545784      8.133445  
1 1 1 13  35  14 o 16.642  5.9824  126.529    137.419  162.481    311.978  117.875    153.067  22.433  8.8016  16.856  6.2720  5.576859       10.80770  
1 1 1 13  35  15 o 154.555 3.8156  12974.09   638.723  14080.36   1121.13  12442.48   777.182  160.574 6.4463  151.234 4.7446  9.340057       8.004141  
1 1 1 13  35  16 o 194.443 4.3543  20574.78   917.024  20873.24   1597.70  20428.15   1119.85  194.894 7.5688  193.511 5.3430  1.382950       9.264687  
1 1 1 13  35  17 o 35.354  3.7900  687.792    142.864  1002.58    221.574  463.814    186.902  42.585  4.8927  28.543  6.2214  14.04243       7.914791  
1 1 1 13  35  18 o 15.736  6.2351  74.727     158.007  139.202    190.719  -66.3828   282.147  18.484  6.9762  17.499  7.6962  0.9848232      10.38746  
1 1 1 13  35  19 o 138.158 3.7310  10408.55   558.299  10665.33   979.209  10284.87   679.578  138.879 6.5098  137.097 4.5766  1.782059       7.957548  
1 1 1 13  35  20 o 121.061 3.0883  7981.46    404.949  8360.29    571.125  7598.47    574.256  123.588 4.2666  117.752 4.5027  5.836304       6.203066  
1 1 1 13  35  21 o 48.515  3.9759  1297.13    207.085  1435.56    281.847  1134.73    305.278  50.757  5.2003  44.695  6.4964  6.061867       8.321456  
1 1 1 13  35  22 o 43.625  4.4301  1057.71    206.420  1329.31    279.614  732.399    306.012  48.681  5.3937  35.154  8.1892  13.52694       9.805845  
1 1 1 13  35  23 o 48.361  4.1771  1297.92    216.650  1372.83    294.698  1209.81    319.594  49.281  5.6217  45.852  6.6277  3.429295       8.690758  
1 1 1 13  35  24 o 20.772  6.5982  244.243    166.848  184.183    223.808  319.382    250.331  20.054  7.5599  23.890  8.1082  -3.836092      11.08583  
1 1 1 13  35  25 f 92.003  3.2781  4651.85    326.662  4951.66    452.352  4325.10    472.229  94.356  4.4262  87.747  4.9894  6.608910       6.669748  
1 1 1 13  35  26 o 24.810  6.9526  373.728    194.317  405.158    245.516  321.028    317.918  25.706  7.9813  24.211  9.0331  1.495346       12.05401  
1 1 1 13  35  27 o 30.302  6.8607  574.002    219.932  715.752    292.391  389.306    333.759  33.059  8.2046  24.996  9.2693  8.062813       12.37886  
1 1 1 13  35  28 o 25.313  7.1944  414.301    206.551  544.978    260.266  191.961    339.488  28.515  8.0659  21.091  8.8371  7.423656       11.96463  
1 1 1 13  35  29 o 18.043  7.8053  86.125     280.167  -127.2571  354.771  439.714    456.687  17.032  7.9255  25.260  10.386  -8.228342      13.06432  
1 1 1 13  35  30 o 25.478  8.4477  471.750    271.845  698.240    325.822  -47.0784   493.137  30.258  9.1577  19.712  9.2288  10.54657       13.00131  
1 1 1 13  35  31 o 22.436  10.419  202.366    608.170  0.0000     0.0000   202.366    608.170  ?       ?       22.436  10.419  0.000000       10.41885  
1 1 1 13  36  0  o 158.984 5.1394  13710.82   884.984  14188.37   1150.71  13019.40   1384.61  161.644 6.5726  154.498 8.3049  7.146530       10.59101  
1 1 1 13  36  1  o 319.823 9.1962  55690.32   3185.57  54028.14   5666.50  56458.38   3851.87  312.648 16.795  321.639 11.057  -8.990784      20.10794  
1 1 1 13  36  2  o 176.282 5.0661  16856.89   967.281  16120.97   1367.83  17593.05   1368.06  172.235 7.3323  179.953 7.0190  -7.718140      10.15029  
1 1 1 13  36  3  o 241.079 6.2986  31558.05   1644.66  31827.09   2324.62  31288.42   2327.17  241.789 8.8766  239.722 8.9629  2.067154       12.61458  
1 1 1 13  36  4  o 103.848 3.9499  5846.62    444.275  5914.30    602.824  5766.14    657.304  104.264 5.3562  102.893 5.9231  1.371346       7.985713  
1 1 1 13  36  5  o 227.049 6.6620  28006.06   1638.30  25270.31   2774.24  29471.01   2030.10  214.594 11.984  232.742 8.0533  -18.14819      14.43839  
1 1 1 13  36  6  o 77.765  4.0960  3288.12    343.780  3281.75    485.297  3294.54    487.065  77.531  5.8217  77.681  5.8315  -0.1507721     8.240031  
1 1 1 13  36  7  o 375.812 9.1624  76986.76   3729.51  73282.28   5274.91  80689.60   5273.75  365.334 13.331  383.599 12.693  -18.26434      18.40725  
1 1 1 13  36  8  o 144.962 4.5865  11399.84   720.129  11053.58   1020.00  11743.97   1016.84  142.613 6.6035  147.016 6.3859  -4.403198      9.186133  
1 1 1 13  36  9  o 178.337 4.3081  17251.80   832.146  13459.35   1718.42  18413.56   951.101  156.612 10.186  184.210 4.7670  -27.59828      11.24621  
1 1 1 13  36  10 o 351.338 6.4575  67117.95   2457.30  75379.91   6814.17  65882.94   2634.56  367.921 17.100  347.971 6.9903  19.95010       18.47331  
1 1 1 13  36  11 o 433.109 7.3757  102173.90  3459.95  94154.42   6930.03  104836.60  3993.26  411.713 15.541  438.338 8.4110  -26.62494      17.67082  
1 1 1 13  36  12 o 334.513 6.1812  60877.32   2239.54  63617.82   4177.39  59771.97   2653.02  340.127 11.340  331.136 7.3971  8.991150       13.53891  
1 1 1 13  36  13 o 294.367 5.0280  47092.45   1603.09  50813.59   3219.14  45865.32   1848.61  304.292 9.7674  290.318 5.8790  13.97345       11.40018  
1 1 1 13  36  14 o 104.115 2.8331  5878.40    319.477  5831.95    660.157  5892.60    365.075  103.299 5.9252  104.219 3.2342  -0.9202881     6.750370  
1 1 1 13  36  15 o 94.178  3.2593  4814.21    332.460  5300.74    600.760  4599.44    399.152  98.438  5.6585  92.000  4.0057  6.438156       6.932828  
1 1 1 13  36  16 o 30.591  1.2395  507.000    41.069   296.915    315.879  510.613    41.421   25.163  9.0675  30.700  1.2457  -5.537119      9.152687  
1 1 1 13  36  17 o 91.822  3.0243  4580.40    300.776  5030.31    581.796  4416.29    351.374  95.692  5.6383  90.102  3.6005  5.589455       6.689859  
1 1 1 13  36  18 o 58.912  2.8968  1886.29    184.837  2458.04    484.659  1788.97    199.949  66.378  6.8392  57.256  3.2375  9.121506       7.566786  
1 1 1 13  36  19 o 95.242  3.2036  4938.02    330.474  5418.42    654.649  4773.73    382.834  98.903  6.1416  93.549  3.7783  5.354317       7.210743  
1 1 1 13  36  20 o 126.634 3.1464  8736.74    431.552  9041.60    605.282  8421.55    615.459  128.475 4.3498  123.913 4.5858  4.561935       6.320600  
1 1 1 13  36  21 o 83.771  3.1330  3827.11    284.268  4362.16    394.724  3250.61    409.726  89.218  4.0848  76.651  4.9619  12.56725       6.426957  
1 1 1 13  36  22 o 31.835  5.6879  579.610    188.923  657.151    253.284  482.367    283.642  33.515  7.1927  28.674  8.5144  4.840919       11.14585  
1 1 1 13  36  23 o 32.163  6.0562  598.363    203.234  498.174    261.841  750.185    322.326  28.914  8.0594  35.269  8.5310  -6.354902      11.73589  
1 1 1 13  36  24 o 39.059  5.0761  865.018    209.665  849.091    281.292  884.927    314.503  37.921  7.1100  38.426  7.8226  -0.5053329     10.57091  
1 1 1 13  36  25 o 30.411  6.5315  548.825    208.716  421.216    277.519  714.990    316.681  26.533  8.5183  33.967  8.5996  -7.433256      12.10431  
1 1 1 13  36  26 o 41.158  2.5682  932.259    113.914  1415.05    287.222  842.143    124.091  49.503  5.4471  39.007  2.9592  10.49606       6.199026  
1 1 1 13  36  27 o 4.1266  2.0522  -88.8407   35.852   194.764    241.452  -95.2344   36.254   19.810  7.7515  4.0641  2.0279  15.74626       8.012325  
1 1 1 13  36  28 o 35.538  2.3809  698.682    91.115   843.163    509.895  693.917    92.606   32.295  11.533  35.400  2.4299  -3.105156      11.78599  
1 1 1 13  36  29 o 25.419  10.509  456.678    470.915  0.0000     0.0000   456.678    470.915  ?       ?       25.419  10.509  0.000000       10.50851  
1 1 1 13  36  30 o 26.143  10.774  566.808    492.871  0.0000     0.0000   566.808    492.871  ?       ?       26.143  10.774  0.000000       10.77367  
1 1 1 13  37  0  o 182.887 5.1897  18145.00   1028.02  17772.28   1453.85  18517.70   1453.81  180.837 7.4227  184.603 7.2711  -3.766571      10.39065  
1 1 1 13  37  1  o 176.480 5.5915  16901.11   1068